smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COCCCC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328635723 UXSKKIWSCPTWKT-NSHDSACASA-N 266.345 0.651 0 50 CCAA NC(=O)C1(O)CCN(Cc2ccnc(Cl)c2)CC1 311189887 DXKQRLNOLDNOSY-UHFFFAOYSA-N 269.732 0.547 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1nc[nH]c1C 67433838 LZSYJMWORAPZQS-QWRGUYRKSA-N 293.371 0.128 0 50 CCAA CC(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 20037724 GJLLXQTZISHOJY-LLVKDONJSA-N 291.417 0.277 0 50 CCAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1ccnc(N)c1 67643298 ZZIQWSQKZYDHGK-MNOVXSKESA-N 274.324 0.499 0 50 CCAA O=S(=O)(C[C@H]1CCCO1)N1CCN2CCC[C@@H]2C1 229650805 IZLHPCVBWSHTJT-VXGBXAGGSA-N 274.386 0.275 0 50 CCAA CCN1CC[C@H]2OCCN(C(=O)[C@@]3(OC)CCOC3)[C@H]2C1 329556785 QJBUXTLWBZHXAV-GZBFAFLISA-N 298.383 0.114 0 50 CCAA O=S1(=O)CCCN1CCSc1nccn2ccnc12 330341395 ZEDXWZDPVKOVNN-UHFFFAOYSA-N 298.393 0.857 0 50 CCAA Cc1cc(C)n(CCCN2C[C@@H](C(=O)O)CC2=O)n1 65493901 MACUPKKUOJPJMO-NSHDSACASA-N 265.313 0.823 0 50 CCAA C[C@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)CCN1 336229965 WTGQKUDMVHUNFO-YUMQZZPRSA-N 267.354 0.717 0 50 CCAA O[C@H](COC1CCOCC1)CN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 333772368 YEIOKDPUBIKCQJ-RBRCJPGISA-N 297.395 0.652 0 50 CCAA CNC(=O)CN(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 285209317 OOZLYVXIFHUYOM-HOCLYGCPSA-N 291.395 0.736 0 50 CCAA O=C(COC[C@H]1CCOC1)N1CC(O)(C2CC2)C1 365026874 MUJWBLPSLNYGNP-JTQLQIEISA-N 255.314 0.023 0 50 CCAA O=C(NCCNC(=O)c1n[nH]c2c1CCC2)c1cccnc1 125590327 NIOKZZTUJBVAAW-UHFFFAOYSA-N 299.334 0.453 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1c1nc(C)nc2c1cnn2C 343707211 JUPJZOLLBAMJRF-QWRGUYRKSA-N 291.355 0.912 0 50 CCAA O=C(CN1CC[C@H](O)c2ccccc2C1)N1CCOCC1 374823069 VGTLAXYAWBYEOU-HNNXBMFYSA-N 290.363 0.785 0 50 CCAA CCCc1cc(C(=O)N[C@@H](CC)C(=O)NC)n(C)n1 77375558 YAIRBIMUDZNKIO-JTQLQIEISA-N 266.345 0.627 0 50 CCAA COCCn1cncc1CNC(=O)c1n[nH]c2c1CCC2 215605551 AQYIEWXRGPKNHE-UHFFFAOYSA-N 289.339 0.671 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1Cc2c[nH]nc2[C@@H](C)C1 913584716 MATSYDBNHGPJAK-JTQLQIEISA-N 276.340 0.890 0 50 CCAA Cc1cc(CNC(=O)Cn2nc(C)c(C)cc2=O)n[nH]1 223801480 WOAXQIKVIHFOPL-UHFFFAOYSA-N 275.312 0.208 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)Cc1c(O)n[nH]c1C 426623364 UPYUXNJWORILDG-VIFPVBQESA-N 292.343 0.845 0 50 CCAA CN(C)[C@@H](C(=O)NCC(=O)NC1CC1)c1ccc(F)cc1 95370417 VFQHQZDUGZJOQD-CQSZACIVSA-N 293.342 0.823 0 50 CCAA CN(C)C(=O)c1cncc(N2CC(C)(C)[C@@](C)(O)C2)n1 91858276 KTKQWTNRJORNFY-AWEZNQCLSA-N 278.356 0.776 0 50 CCAA Cc1nc(CN2C[C@@H](C)[C@](O)(C3CC3)C2)cc(=O)[nH]1 91452159 JISJENCBVBUBDH-OTYXRUKQSA-N 263.341 0.671 0 50 CCAA COC[C@H]1CCCN1C(=O)c1cn2cccnc2n1 97553254 FGQPZHSPOWDWAL-SNVBAGLBSA-N 260.297 0.980 0 50 CCAA CN(C)S(=O)(=O)N1CC[C@H](Cc2ccc(=O)[nH]c2)C1 91650451 GGTVJPKDMVXKLS-LLVKDONJSA-N 285.369 0.046 0 50 CCAA OC[C@H]1CN(c2[nH]cnc3nc(Cl)cc2-3)CC[C@@H]1O 865879491 HKATVJWNYLHSIF-APPZFPTMSA-N 282.731 0.742 0 50 CCAA Cc1cc(C)nc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)n1 244594276 DJUKSIVTGHAFTJ-GWOFURMSSA-N 273.292 0.760 0 50 CCAA O=C(NC[C@@H](O)c1ccccc1F)[C@]1(F)CCNC1 299739260 MLWQHTQGDQLVQJ-YPMHNXCESA-N 270.279 0.677 0 50 CCAA CN=c1[nH]c(=NCC[C@@H]2CCCN(C)C2)[nH]cc1F 534583453 WULYZQAYEFYUEI-JTQLQIEISA-N 267.352 0.645 0 50 CCAA CN(CC(=O)N1CCC[C@H](CCCO)C1)C1CCNCC1 534577784 XLCSAWQAQGTTEQ-CQSZACIVSA-N 297.443 0.681 0 50 CCAA CN1CCCC[C@@H]1CNS(=O)(=O)N1CCCC1 823777958 VHQFPWRPTAQRLE-LLVKDONJSA-N 261.391 0.401 0 50 CCAA Nc1nc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cs1 584898620 JVGVGMOBYUIZBZ-SSDOTTSWSA-N 280.353 0.466 0 50 CCAA N=C1SCC(=O)N1n1cnc2ccccc2c1=N 584906178 GLDLBZQFLQKBBC-UHFFFAOYSA-N 259.294 0.662 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)Cc2ccccc2O)C1 584897395 QAVRZIGXMZWWFB-ZDUSSCGKSA-N 292.379 0.971 0 50 CCAA COCn1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)n1 685942269 MSFDEMAYDBCXMY-MFKMUULPSA-N 292.339 0.274 0 50 CCAA O=C([C@@H]1CC=CCO1)N1CCC(c2nnc(O)o2)CC1 1875278152 DVHUDZGESNKRGO-JTQLQIEISA-N 279.296 0.826 0 50 CCAA O=C([C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1875290793 DCTQBXXHDJLDIZ-MTQJIKLTSA-N 291.347 0.838 0 50 CCAA CN(Cc1cccs1)S(=O)(=O)CCn1cnnn1 1875288423 BQKRQDMIJZAHJG-UHFFFAOYSA-N 287.370 0.196 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1CNC(=O)/C=C/CN(C)C 1875377129 TXHKIPRZCGANFG-XKFHPXPTSA-N 253.346 0.135 0 50 CCAA CN(CCCOc1ccccc1)C(=O)Cn1[nH]nnc1=N 952977405 JUPFYCCXHNIREZ-UHFFFAOYSA-N 290.327 0.013 0 50 CCAA CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 245339314 RXQFNSCMOHOTIK-DDHJBXDOSA-N 266.341 0.537 0 50 CCAA O=C1NC(=O)C2(CN(c3nc(C4CC4)nc4c3CCC4)C2)N1 1354279835 OSWMDXUQNSKNOL-UHFFFAOYSA-N 299.334 0.241 0 50 CCAA COCCN1CC(=O)N([C@@H]2CSC[C@H]2C)C1=O 408517060 ZVYYIOAVAISROD-RKDXNWHRSA-N 258.343 0.649 0 50 CCAA CCN1CC[C@H](N2C(=O)N3CCC[C@@]3(C)C2=O)C1=O 408517093 LHQWAWXBUZJWDC-ZANVPECISA-N 265.313 0.424 0 50 CCAA CN(CC(F)(F)F)C(=O)N1CCC[C@@H]([C@H](O)C(=O)O)C1 568258146 BCWIMTYTMOHNER-SFYZADRCSA-N 298.261 0.758 0 50 CCAA Cn1ccnc1CCN1CCN(CC2CC2)[C@@H](CCO)C1 1506398505 QXWBDPPQWZPJJI-HNNXBMFYSA-N 292.427 0.741 0 50 CCAA O=C([C@H]1CSCCS1)N1CC(N[C@@H]2CCOC2)C1 1363637486 YWIRAENRLSSCBH-MWLCHTKSSA-N 288.438 0.424 0 50 CCAA COC[C@@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)O)C1 701577571 MOKRKDKWQQAHNH-CWSCBRNRSA-N 271.313 0.361 0 50 CCAA O=C(O)[C@H]1CN(CCO)C[C@@H]1c1ccc(F)cc1 213165859 GSYBKCSYKDXRSJ-NEPJUHHUSA-N 253.273 0.918 0 50 CCAA Cc1cc(C[C@@H]2CN(c3nc(CO)cs3)C[C@@H]2O)n[nH]1 1704306046 USUNAHLTQDWNSB-SKDRFNHKSA-N 294.380 0.707 0 50 CCAA CCn1nccc1C(=O)N[C@H]1CNCCC1(F)F 1615540963 MSDBHPJIXGISIN-VIFPVBQESA-N 258.272 0.630 0 50 CCAA CCN(CC)C[C@H](C)N1C[C@H]2[C@H](C1)C2(CO)CO 1772804925 GZJHZCWCPUWIIC-AVGNSLFASA-N 256.390 0.249 0 50 CCAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NCCCN1CCCC1=O 12343432 IOAYAFXPDNRAHS-RYUDHWBXSA-N 294.351 0.782 0 50 CCAA COc1cccc(/C=c2\sc3ncnn3c2=O)c1OC 16264874 LFYYKHFPMXBSFE-POHAHGRESA-N 289.316 0.716 0 50 CCAA CCCNS(=O)(=O)c1csc(C(=O)NC)c1 16648845 JVVKHGQUFAFDTP-UHFFFAOYSA-N 262.356 0.796 0 50 CCAA Cn1nc(C(N)=O)nc1-c1ccc([C@@H]2CNC(=O)C2)cc1 1875244667 YRLLMYVDHTYLNZ-JTQLQIEISA-N 285.307 0.185 0 50 CCAA c1cncc(CCN=c2[nH]ccc(=N[C@@H]3CCCOC3)[nH]2)c1 328622060 AYOCIPXQTRQLOV-CQSZACIVSA-N 299.378 0.961 0 50 CCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cncnc1C1CC1 616766866 SQIRCEVZSLOHBY-OUCADQQQSA-N 299.334 0.655 0 50 CCAA O=C([C@H]1C[C@H](O)CN1)N1CCCN(C2CCCC2)CC1 238095726 CLUQTVNEQGJUMM-UONOGXRCSA-N 281.400 0.186 0 50 CCAA Cc1cnc2cc(C(=O)N3CCO[C@@H](CN)C3)ccn12 662766794 MTKIQVPHUWZKGC-LBPRGKRZSA-N 274.324 0.442 0 50 CCAA O=C(O)[C@H]1CN(c2nnc(C(F)(F)F)s2)CCO1 160247930 YAFZXZLMCOBHEO-SCSAIBSYSA-N 283.231 0.847 0 50 CCAA Cc1ccc2ncc(CN3CC4(CNC(=O)O4)C3)n2c1 496974972 PXGAMOWAYKNIJE-UHFFFAOYSA-N 272.308 0.937 0 50 CCAA Cc1cnc(CN2C[C@@H]3COC[C@H](C2)N(C)C3)[nH]1 1704335564 OPMRSLQJENUZSW-NEPJUHHUSA-N 250.346 0.481 0 50 CCAA C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)C(=O)O 909148076 JEEQPDSJUWBEGT-QMMMGPOBSA-N 266.301 0.335 0 50 CCAA CN(C(=O)[C@]12CNC[C@H]1CCOC2)c1cnn(C)c1 1122003180 PRBJRZFQIBUKNL-MFKMUULPSA-N 264.329 0.009 0 50 CCAA O=C1[C@@H](O)CCCCN1CC(=O)N1CCCc2n[nH]cc21 818878380 OQTPHTOTTRMCET-LBPRGKRZSA-N 292.339 0.062 0 50 CCAA COc1nn(C)cc1NC(=O)NCCN1CCO[C@@H](C)C1 931052798 IOXNVZWRKYHWDJ-JTQLQIEISA-N 297.359 0.271 0 50 CCAA C[C@H](O)CN1CCN(Cc2nnc(C3CC3)o2)C[C@H]1C 241277694 LIJLLENRCHPPQX-MNOVXSKESA-N 280.372 0.834 0 50 CCAA C[C@H](CNc1ncc(C(=O)O)cc1Cl)S(N)(=O)=O 398273023 HYODHDVTPLZDLA-RXMQYKEDSA-N 293.732 0.522 0 50 CCAA O=C(C1CC2(CSC2)C1)N(CCc1nn[nH]n1)C1CC1 2325808747 JTYQYOUIIRBYJS-UHFFFAOYSA-N 293.396 0.876 0 50 CCAA Nc1nc(CCN2C(=O)c3ccccc3C2=O)n[nH]1 1301179 KSDXFQADPHAOLF-UHFFFAOYSA-N 257.253 0.226 0 50 CCAA CN(C[C@H](O)CO)c1noc(-c2ccccc2)c1C(=O)O 2356159164 OPZROTCTGZILSJ-JTQLQIEISA-N 292.291 0.829 0 50 CCAA CCN1CC[C@@H]1C(=O)NCC(=O)N1CCc2ccccc21 1361995847 QQSULWNDXJUWAL-CQSZACIVSA-N 287.363 0.786 0 50 CCAA CCN(Cc1ncc[nH]1)Cc1nc(COC)no1 67689105 TWTNQDTUAKLVJM-UHFFFAOYSA-N 251.290 0.961 0 50 CCAA CC(C)(C)OC(=O)Nc1nc(=O)c2[nH]cnc2[nH]1 141634502 HUXGLYJQFDJVSE-UHFFFAOYSA-N 251.246 0.993 0 50 CCAA CC(=O)N(C)[C@@H]1CCN(c2cc(CCN)nc(C)n2)C1 67692369 DOWPQXSSHOSBAP-CYBMUJFWSA-N 277.372 0.343 0 50 CCAA CN(C[C@@H]1CCCO1)C(=O)NCCCn1ccnn1 183572050 RVCIMXRYVGLPNG-NSHDSACASA-N 267.333 0.489 0 50 CCAA COC(=O)CN(CCN1CCOCC1)Cc1ccccc1 216637202 DFFWWMVSRRFCEG-UHFFFAOYSA-N 292.379 0.994 0 50 CCAA CC1(C)[C@H](NC(=O)NCC2(CO)CC2)[C@@H]2CCO[C@H]21 230160674 OSQDCVKYIQALCA-HBNTYKKESA-N 268.357 0.872 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CSCCS1 170625903 ANSSWIDGNQPJAN-BDAKNGLRSA-N 297.467 0.727 0 50 CCAA CO[C@]1(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)CCOC1 329848045 NDVBBTUWHFJVMH-CTHBEMJXSA-N 299.367 0.587 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCCCc1cccnc1 219476197 DSBNEFBOVYUNAS-SNVBAGLBSA-N 265.313 0.875 0 50 CCAA CC(=O)N[C@@H]1CCN(c2ncnc3c2c(C)nn3C)C1 72433613 BJZYIKJDZQXCFP-SNVBAGLBSA-N 274.328 0.387 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1cnn2ccccc12 72171721 DMQPDQCDFMXVQJ-SNVBAGLBSA-N 289.291 0.650 0 50 CCAA CN(C)c1ccncc1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 366895270 KAEGSQWJMHGCOC-ZWNOBZJWSA-N 288.351 0.498 0 50 CCAA CCC[C@@]1(CO)CCN(CCCN2C(=O)CNC2=O)C1 367355640 DUCVBKCRBQFWEK-CQSZACIVSA-N 283.372 0.413 0 50 CCAA Cc1cc(C)nc(N2C[C@H]3COC[C@@H]2CN(C)C3)n1 1875250155 BOMQSAKYBPEZOP-STQMWFEESA-N 262.357 0.860 0 50 CCAA Cc1nc(C)c(CC(=O)N2CCOC[C@@H](CO)C2)s1 77300195 AFTJPJHFGIQDLX-LLVKDONJSA-N 284.381 0.770 0 50 CCAA C[C@@]1(O)CCN(C(=O)CN)C[C@@H]1Cc1ccccc1 72144545 WQXBRPYPUUQEAM-DZGCQCFKSA-N 262.353 0.787 0 50 CCAA CN1C[C@H](CN=c2ccc3nnnn3[nH]2)Cc2ccccc21 375275195 MRFSFBQUTVWWLV-NSHDSACASA-N 295.350 0.662 0 50 CCAA Cc1cc(CC(=O)N2CCOC[C@@H]2CC(=O)O)on1 72153688 KGBPYTIBUVWWJS-VIFPVBQESA-N 268.269 0.228 0 50 CCAA C[C@@H]1CN(C(=O)CCc2ccccc2C(N)=O)CCO1 279818636 XZNWMEGOWOPPJQ-LLVKDONJSA-N 276.336 0.965 0 50 CCAA CCn1nccc1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 263038484 CBKLQZQGCGHEKH-RKDXNWHRSA-N 287.341 0.244 0 50 CCAA O=C(NC1CCN(C2CCOCC2)CC1)c1cnccn1 222339752 GHAMNBAMANHHDT-UHFFFAOYSA-N 290.367 0.850 0 50 CCAA C[C@H](c1cccnc1)N1CCO[C@@H](CN(C)CC(N)=O)C1 282227104 ZCHOLHADVMTFGG-OCCSQVGLSA-N 292.383 0.261 0 50 CCAA CN1CC[C@@H]2OCCN(c3nccn4cnnc34)[C@H]2C1 284452274 CVFBSWXWMLYFSE-QWRGUYRKSA-N 274.328 0.034 0 50 CCAA CCCc1nnc(N2CCC[C@](O)(CO)CC2)o1 95371590 CJJMJEUPRDIPDW-GFCCVEGCSA-N 255.318 0.736 0 50 CCAA CN1CCC[C@@]2(CCN(C(=O)c3ccnc(N)c3)C2)C1=O 91493293 PAIZRWKSEUXSQG-HNNXBMFYSA-N 288.351 0.748 0 50 CCAA CN(c1ccc(-c2ncnn2C)cc1)S(C)(=O)=O 91460758 WRSLAXQPCNRYDQ-UHFFFAOYSA-N 266.326 0.878 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2)[C@H](O)C1 244898787 ZBOFFCNSMSIDNY-CHWSQXEVSA-N 278.308 0.104 0 50 CCAA O=C1C[C@H](n2nnnc2-c2cccs2)[C@H]2CO[C@H]1O2 254291189 VWUNTULVYFUYNS-QXHCQDJKSA-N 278.293 0.657 0 50 CCAA NC(=O)c1nc(CNC(=O)[C@H]2CCc3ccccc32)no1 534646618 BPNHWBRLXHANDK-JTQLQIEISA-N 286.291 0.515 0 50 CCAA O=C1CC[C@@H](NC2(C(=O)O)CC2)CCN1CC1CC1 534655889 XFSROZWSQMZGLC-LLVKDONJSA-N 266.341 0.984 0 50 CCAA CN(CCN1CCOCC1)C(=O)[C@@]1(C)CCCCO1 457514167 HKWPFXIIXOSUKX-CQSZACIVSA-N 270.373 0.736 0 50 CCAA COCCCN1CC[C@@H](CNC(=O)c2n[nH]nc2C)C1 299773760 DPYPWDKYPGUGNI-NSHDSACASA-N 281.360 0.201 0 50 CCAA CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1cn[nH]c1 299793376 JDAXOXXFZUSBHT-GFCCVEGCSA-N 293.371 0.082 0 50 CCAA Cn1ccnc1C(=O)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857720888 PLFJNDPDBRQCDI-OUAUKWLOSA-N 265.313 0.032 0 50 CCAA Cn1ncnc1CCNC(=O)CCCc1cn[nH]c1 584902937 UCWRWJLSRVBGFM-UHFFFAOYSA-N 262.317 0.220 0 50 CCAA CCOC(=O)N1CC[C@@H](NCCc2ncnn2C)C1 584884960 RVBDSAJQFJFEPT-SNVBAGLBSA-N 267.333 0.178 0 50 CCAA O=c1c2ncccc2ncn1CCN1CCOCC1 584896386 CJQCJYXUQIRPIW-UHFFFAOYSA-N 260.297 0.124 0 50 CCAA CCCOC[C@H]1CCN(C(=O)CCn2cncn2)C1 584892643 QLJOYWXQIBQAPY-LBPRGKRZSA-N 266.345 0.943 0 50 CCAA COC(C)(C)C(=O)N1CCN([C@H]2CN3CCC2CC3)CC1 584892533 ODBMELWBAMLRII-AWEZNQCLSA-N 295.427 0.650 0 50 CCAA O=C1NC2(CCOCC2)C(=O)N[C@@H]1Cc1ccc(O)cc1 670462527 UFPCLIOUTVWHGO-GFCCVEGCSA-N 290.319 0.099 0 50 CCAA CCc1nnc(CN(C)S(=O)(=O)c2cnn(CC)c2)o1 670465144 NGRDMJPFYCEAHK-UHFFFAOYSA-N 299.356 0.669 0 50 CCAA NS(=O)(=O)C[C@@H]1CCCCN1Cc1ccco1 888096161 MMAHBSCRHJCHON-JTQLQIEISA-N 258.343 0.923 0 50 CCAA CCc1cccnc1C(=O)N1CCCN(C(N)=O)CC1 408049765 FHVGACNWXSVGNL-UHFFFAOYSA-N 276.340 0.871 0 50 CCAA CC(C)(O)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 408051799 LRXKWSVXFAXNBN-UTUOFQBUSA-N 271.357 0.536 0 50 CCAA CC(C)(C)n1cc(NC(=O)N[C@]2(CO)CCOC2)cn1 186246174 NKECRKDYZRPFKN-ZDUSSCGKSA-N 282.344 0.911 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)O)C2)c1 547941685 ZBBRHWRSLWKBAL-UWVGGRQHSA-N 299.352 0.772 0 50 CCAA COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cn[nH]c1 190718631 GOBPQSPKZFQTLM-IEBDPFPHSA-N 263.297 0.823 0 50 CCAA O=C(c1ccncc1F)N1CCOC[C@]12CCOC2 194415908 JLHDOUZICRHWMG-CYBMUJFWSA-N 266.272 0.852 0 50 CCAA CC[C@H](N)C(=O)N(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O 195542467 SMCDQNMHHHNXJG-AEJSXWLSSA-N 262.375 0.148 0 50 CCAA CCc1ocnc1C(=O)N[C@@H](C(=O)O)C1CCOCC1 668308068 SOXQMCIYUNOXMA-SNVBAGLBSA-N 282.296 0.847 0 50 CCAA C/C(=C\C(=O)N1CCC[C@@](O)(Cn2ccnn2)C1)C1CC1 794090969 HBVCEQKPBZPAJM-RZXPCSSPSA-N 290.367 0.988 0 50 CCAA Cc1nncn1CCN1CCC(N2CCCC2=O)CC1 1506400978 YBKRKTZZCHBAOH-UHFFFAOYSA-N 277.372 0.673 0 50 CCAA CN1CCC2(CC1)CCN(C(=O)c1nccn1C)C2 1506395747 FVISYGOXTWEKMO-UHFFFAOYSA-N 262.357 0.978 0 50 CCAA CNC(=O)C[C@@H]1CCN(c2ncc(F)c(N(C)C)n2)C1 1506408325 RFZJYOIJFDRMRA-VIFPVBQESA-N 281.335 0.644 0 50 CCAA Cc1nonc1CC(=O)N1CCC[C@H]1C1(O)CC1 1857693256 OMTHLJMPZFOOAN-JTQLQIEISA-N 251.286 0.436 0 50 CCAA CNCC(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704336253 IBDIFFOGVFEQGS-CZUORRHYSA-N 299.374 0.816 0 50 CCAA CCc1nc(N)nc(N2CCC(C(N)=O)CC2)c1C 1704337166 XQIZIRXEIQSXRH-UHFFFAOYSA-N 263.345 0.631 0 50 CCAA CNC(=O)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 408280591 QEUSAWXMOAJYNN-GFCCVEGCSA-N 267.373 0.455 0 50 CCAA Cc1nc(=NC[C@H]2CC3(CCNCC3)CO2)n(C)[nH]1 1704298665 BENACIRBVGXQCX-LLVKDONJSA-N 265.361 0.116 0 50 CCAA C[C@@H](NC(=O)NCc1cnn(C)c1)c1cnn(C)c1 332341544 SMPUKCCEGUPQEQ-SECBINFHSA-N 262.317 0.714 0 50 CCAA COc1ccnc(NC2CCS(=O)(=O)CC2)n1 164482785 GEKABPBHDUPIEP-UHFFFAOYSA-N 257.315 0.474 0 50 CCAA CO[C@@H]1[C@@H]2CCC[C@@H]2[C@H]1NC(=O)c1cc(O)n(C)n1 1857533080 BIHRJLRKJZWATE-JTRYMVSWSA-N 265.313 0.669 0 50 CCAA C[C@H](CN(C)c1ncc2cn[nH]c2n1)N1CCOCC1 1857676699 RGRZBXXSQDUDNR-SNVBAGLBSA-N 276.344 0.510 0 50 CCAA O=C1CCCN1C[C@@H](O)CN1CCC(c2ccn[nH]2)CC1 111686294 RLFBDALQXXTCBR-ZDUSSCGKSA-N 292.383 0.572 0 50 CCAA CN[C@@H](C)c1cn(CC(=O)N2CCOC[C@H]2C2CC2)nn1 641156266 PGTAWBQSGMXIJH-GWCFXTLKSA-N 293.371 0.196 0 50 CCAA O=C(O)C1=CC(c2ccc(F)cc2)=NS(=O)(=O)N1 12396119 WLASPMNTKKKLMC-UHFFFAOYSA-N 270.241 0.431 0 50 CCAA in-vitro COc1cnc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)nc1 341211181 YSDJXORVOSLYCH-KKZNHRDASA-N 290.323 0.224 0 50 CCAA CCc1cc(C(=O)NCc2c[nH]nc2[C@@H]2CCNC2)n[nH]1 952851157 WBLWUHSRDSNMQE-SECBINFHSA-N 288.355 0.702 0 50 CCAA Cc1cc(NC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)on1 1875271361 XLIQTWGEBDOGAU-BBBLOLIVSA-N 267.285 0.908 0 50 CCAA CO[C@H]1CCC[C@H]1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 1875362518 IKGWUDZJCDUEOO-CHWFTXMASA-N 291.369 0.536 0 50 CCAA COCCN(CC1CCN(C)CC1)C(=O)/C=C/CN(C)C 1875377134 UALKWZFKYFJUEQ-AATRIKPKSA-N 297.443 0.921 0 50 CCAA COCCOc1ccc(CNc2cnn(C)c(=O)c2)cn1 1875379099 MMDWJRQNTXKZFK-UHFFFAOYSA-N 290.323 0.813 0 50 CCAA C[C@@H]1CCSCCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]1[C@H]2N 1875319162 QYIWRUAHEJPOFM-RHYQMDGZSA-N 297.424 0.289 0 50 CCAA Cc1ccc(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cn1 885302779 CKAFIXOJQXAUOL-GFCCVEGCSA-N 297.380 0.070 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cnc(C2CC2)[nH]1 888093102 RONWRPDXWJJZQH-APPZFPTMSA-N 262.313 0.684 0 50 CCAA O=C(Cc1ccc2c[nH]nc2c1)N1CC(N2CCCC2=O)C1 888752971 GBMYBZLPSJSDTM-UHFFFAOYSA-N 298.346 0.939 0 50 CCAA O=C(O)CN(Cc1ccccc1)C(=O)[C@H]1COCCO1 262125061 GVYKPSHSALNKMS-GFCCVEGCSA-N 279.292 0.515 0 50 CCAA O=C(O)c1ccc(N2CCO[C@@]3(CCOC3)C2)nn1 563205898 OKJTWSZXJXUAAU-LBPRGKRZSA-N 265.269 0.171 0 50 CCAA CCn1ncnc1CN1CCC(CNC(C)=O)CC1 67675248 VJWLQSKWBTUOON-UHFFFAOYSA-N 265.361 0.646 0 50 CCAA C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ncc[nH]1 311581583 OQTMLOQGAYHPBH-WDEREUQCSA-N 284.385 0.657 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)c2ccc(F)cn2)C1 630253184 CFVKXHCADIQGNT-LBPRGKRZSA-N 268.244 0.536 0 50 CCAA O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CCC1 2325782956 PKGSFXPGRQSCJN-UHFFFAOYSA-N 255.221 0.823 0 50 CCAA O=Cc1c(N2CCOCC2)nc2ccccn2c1=O 83855 NWYVTRPHYSYEFE-UHFFFAOYSA-N 259.265 0.344 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 115652 ABDASEZLFGMYKP-UHFFFAOYSA-N 286.328 0.543 0 50 CCAA Cc1nccn1CCCN1CCO[C@H](c2nnnn2C)C1 2356168415 CGGZBVFNCPLZRT-LBPRGKRZSA-N 291.359 0.179 0 50 CCAA O=c1[nH]c2ccc(S(=O)(=O)NCc3ccco3)cc2[nH]1 4347006 GORFVJAWGGZSOJ-UHFFFAOYSA-N 293.304 0.928 0 50 CCAA COc1cccc(CNC2CC2)c1OCC(N)=O 6747448 RAYQHOGJEKYKEA-UHFFFAOYSA-N 250.298 0.811 0 50 CCAA O=C([C@@H]1CCCNC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 122017918 DRNANSGWNHUUDM-FRRDWIJNSA-N 268.357 0.392 0 50 CCAA CC1(C)CNC(=O)c2nc([C@@H]3CCS(=O)(=O)C3)[nH]c2C1 65460635 OIUSMJINSTXKKM-MRVPVSSYSA-N 297.380 0.624 0 50 CCAA CCc1ccc(C(=O)N[C@@H](C)C(N)=O)cc1S(C)(=O)=O 121187628 YOMSAXXQAOMJRW-QMMMGPOBSA-N 298.364 0.256 0 50 CCAA CC(C)(C)OC(=O)NC1=CC=CCN(CC(=O)O)C1=O 64219588 KKFIKZNDIGJFAQ-UHFFFAOYSA-N 282.296 0.878 0 50 CCAA O=C(O)C1(CNS(=O)(=O)c2c[nH]cn2)CCCC1 137829634 GOWWKRBXZLNBOY-UHFFFAOYSA-N 273.314 0.333 0 50 CCAA NC(=O)CN1CCC[C@@H](C(=O)NCC2=CCCCC2)C1 67885254 PIXRHKXVUPACET-CYBMUJFWSA-N 279.384 0.800 0 50 CCAA CN1CCC(CCO)(NCc2cn(C(C)(C)C)nn2)CC1 331163678 LSXUHDCOBHVZQH-UHFFFAOYSA-N 295.431 0.970 0 50 CCAA CCc1nc(CN2C(=O)N[C@]3(CCOC3)C2=O)cs1 126350316 JRRIYTMOBYIWKY-LBPRGKRZSA-N 281.337 0.916 0 50 CCAA CO[C@@]1(CN2CCN(C)[C@@H](c3nc(C)no3)C2)CCOC1 606444047 AFHJZIOIGXLWNG-TZMCWYRMSA-N 296.371 0.472 0 50 CCAA C[C@H]1OCC[C@H]1S(=O)(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 333037876 DMNMPVANBZTQCM-WISYIIOYSA-N 289.397 0.850 0 50 CCAA O=C(NS(=O)(=O)c1cnccn1)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 252516326 RVRDINFLAARNNE-QATXWYEKSA-N 293.348 0.574 0 50 CCAA C[C@H]1CCCN(C(=O)CCCn2cncn2)[C@@H]1CN 237687356 LNBYZBZASPUZEB-NWDGAFQWSA-N 265.361 0.644 0 50 CCAA COC(=O)c1cnc(NC[C@H](C)c2nncn2C)nc1 253415509 MXTYWHYPSFSFOY-QMMMGPOBSA-N 276.300 0.607 0 50 CCAA Cc1ccc2[nH]nc(C(=O)N3CCN[C@H](C(=O)O)C3)c2c1 71756800 RVJCZZVQFGQHIJ-NSHDSACASA-N 288.307 0.370 0 50 CCAA CCC[C@H]1CN(C(=O)c2cnc(NC)nc2)C[C@@H]1N 219596092 CDFFHJGIVXQSHJ-ONGXEEELSA-N 263.345 0.718 0 50 CCAA O=C(NC[C@@H](O)c1ccc(Cl)cc1)[C@@H]1CNCCO1 262641908 QXQNJZHOLATLSH-NEPJUHHUSA-N 284.743 0.478 0 50 CCAA CCn1ccc(C(=O)N[C@@]2(CC(=O)O)CCCOC2)n1 1548453993 IBDPPRGUYMXDED-CYBMUJFWSA-N 281.312 0.657 0 50 CCAA Cn1cc(NC(=O)N2CCN(CC3CC3)CC2)ccc1=O 194822973 VRZPEWSAMONJRU-UHFFFAOYSA-N 290.367 0.945 0 50 CCAA O=C(O)CCCC[C@@H]1SC[C@@]2(O)NC(=O)N[C@H]12 43198459 QLLAHFUXOLMFNJ-IONOHQLYSA-N 260.315 0.117 0 50 CCAA COCCn1cncc1CNC(=O)N1CCSCC1 426526307 UWPJPEQZXGZHCO-UHFFFAOYSA-N 284.385 0.788 0 50 CCAA Cc1cc(CNC(=O)c2ccnc(-n3cnnc3)c2)n(C)n1 97716994 VDOCIIIYMRPFFO-UHFFFAOYSA-N 297.322 0.634 0 50 CCAA NC[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 95743344 AEEKQDZDDCUGNU-CYBMUJFWSA-N 250.298 0.719 0 50 CCAA CCN(Cc1cccc(C(=O)O)n1)[C@H]1COC[C@@H]1O 97797345 LQTFCHWFVUGCFM-RYUDHWBXSA-N 266.297 0.361 0 50 CCAA COCC[C@]1(CO)CCCN(Cc2nc(COC)no2)C1 92028116 GFRYRLWQXJQJBU-CQSZACIVSA-N 299.371 0.827 0 50 CCAA CCCN1CCCN(C(=O)Cn2ccnc2C)CC1=O 297170940 TVVBNQOANJDXDU-UHFFFAOYSA-N 278.356 0.662 0 50 CCAA CN(CCO)C[C@@H]1CN(Cc2ccc(F)cc2)C[C@@H]1CO 91876858 ZBGYQTDNMAZOFV-HUUCEWRRSA-N 296.386 0.790 0 50 CCAA CCn1ccc(CN2CCCN(S(C)(=O)=O)CC2)n1 244701135 KATOAYKIOSIOHQ-UHFFFAOYSA-N 286.401 0.370 0 50 CCAA CC(C)OCCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O 245225663 BLTYHKOYVOKCHR-MCYUEQNJSA-N 295.335 0.668 0 50 CCAA biogenic O=C1CCCN1CCCC(=O)N1C[C@@H]2CC[C@H]1CNC2 534578170 VAVYPKSMMSFCOW-OLZOCXBDSA-N 279.384 0.599 0 50 CCAA CCOCCC(=O)NCc1nc(C(F)(F)F)n[nH]1 360995911 NWVHPWWWSACSBT-UHFFFAOYSA-N 266.223 0.866 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NC(=O)Cc2c(C)[nH][nH]c2=O)n1 299763506 XEVNXQNEAULDHW-SECBINFHSA-N 291.355 0.572 0 50 CCAA c1cnc(-n2cncn2)c(CNC2CCOCC2)c1 584893059 CBSKAROGVRKAPY-UHFFFAOYSA-N 259.313 0.931 0 50 CCAA CCOC(=O)N1CC[C@H](NCc2csc(N)n2)C1 584894947 LZKRHVQASQBTLG-QMMMGPOBSA-N 270.358 1.046 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NCCc2ncnn2C)n1 670451862 FNNCMAUHIPZODP-LLVKDONJSA-N 262.361 0.849 0 50 CCAA COCCN1CCN(c2cnc3ccccc3n2)CC1=O 271064941 IKAQCRLFPMYFKT-UHFFFAOYSA-N 286.335 0.925 0 50 CCAA O=C1CC2(CCN(C(=O)C[C@@H]3CCOC3)CC2)CC(=O)N1 670453086 HUBRYEZSTCRZHT-NSHDSACASA-N 294.351 0.458 0 50 CCAA Cc1cc(=NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)cc[nH]1 685940459 AXCGRJSLKWAPCX-OUCADQQQSA-N 287.367 0.907 0 50 CCAA Cc1nonc1CNC(=O)N1CCOC[C@H]1[C@H]1CCCO1 873282090 BNZXBPVIFUMDQM-NWDGAFQWSA-N 296.327 0.467 0 50 CCAA CCC(=O)N[C@H]1CCN(c2nc(O)cc(COC)n2)C1 952881969 SOTPSOKDLFFASZ-VIFPVBQESA-N 280.328 0.434 0 50 CCAA O=C(CSc1nn[nH]n1)Nc1ccc2nc(O)[nH]c2c1 1875256714 XTCNWAOMFIRAMN-UHFFFAOYSA-N 291.296 0.512 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CC(F)(F)C2)CC1 1875370070 ASUSWSWEOGSWGH-UHFFFAOYSA-N 258.268 0.889 0 50 CCAA COc1nc(NCCSc2nncn2C)ncc1F 952872817 CZBULBDGHAJCNG-UHFFFAOYSA-N 284.320 0.957 0 50 CCAA Cc1ncc(CNCCCN2CCC[C@@H](CO)C2)cn1 952974701 WMHDFTYOGUDMCN-CQSZACIVSA-N 278.400 0.969 0 50 CCAA Cc1nc(C(=O)NCc2nc3c([nH]2)CCCC3)n(C)n1 1776006424 VMOAGLYPVPBNNH-UHFFFAOYSA-N 274.328 0.655 0 50 CCAA CO[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 170549437 UIWFHPCGXLZLQR-QMMMGPOBSA-N 298.320 0.531 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)CC1 408010592 PJQFSMHZTZQBDQ-YUMQZZPRSA-N 294.273 0.427 0 50 CCAA Cc1nc(N2C[C@@H](F)C[C@H]2CO)c2cnn(C)c2n1 408032842 CUNCHWKGJFFRTI-IUCAKERBSA-N 265.292 0.581 0 50 CCAA CN(C(=O)c1nc(O)nc(O)c1N)C1CCCCC1 408237270 RYDXMTLTPXGZDF-UHFFFAOYSA-N 266.301 0.875 0 50 CCAA CC1(C)COCCN1S(=O)(=O)Cc1ccon1 408238402 XAVNXXMXFMMEJS-UHFFFAOYSA-N 260.315 0.615 0 50 CCAA C[C@H]1C[C@H](N)CN1C(=O)c1cn(Cc2cccs2)nn1 638938362 ZAHIADJRFXEPSJ-UWVGGRQHSA-N 291.380 0.950 0 50 CCAA CC(C)(C)n1nnc(CNc2ccc(CO)cn2)n1 657468024 HWSKOVAZNCIZIQ-UHFFFAOYSA-N 262.317 0.928 0 50 CCAA CCS(=O)(=O)NCCNC(=O)c1coc(SC)c1 585089407 KZRPDIGXLRDMNG-UHFFFAOYSA-N 292.382 0.671 0 50 CCAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC[C@@]1(CO)COCCN1 585128601 HGVNLIMWLZSYHS-RMRHIDDWSA-N 282.384 0.280 0 50 CCAA CCCc1noc(CN(C)C(=O)c2cc(O)nc(O)n2)n1 1506414982 VPJXCWLPAMZCJA-UHFFFAOYSA-N 293.283 0.496 0 50 CCAA Cc1nccc(NC2CCN(CC(=O)NC3CC3)CC2)n1 1529098553 HWTRHEYABPOEDH-UHFFFAOYSA-N 289.383 0.940 0 50 CCAA Cc1cnnc(N2CCC(NS(C)(=O)=O)CC2)c1C 1857672517 FVXXXWJBFBLZHK-UHFFFAOYSA-N 284.385 0.611 0 50 CCAA O=C1CO[C@@]2(CCN(C(=O)c3ccc(Cl)cn3)C2)CN1 1800413417 GUXGNVKJHGCUFP-ZDUSSCGKSA-N 295.726 0.466 0 50 CCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)o1 1236656 WZNUTYXPWKUFMM-SNVBAGLBSA-N 252.270 0.363 0 50 CCAA in-vitro CCC(CC)C(=O)N1CCN(CCN2CCNCC2)CC1 647877594 WDEHXQNPXIMDIL-UHFFFAOYSA-N 296.459 0.472 0 50 CCAA Cn1cc(CNC(=O)[C@@H]2NCCOc3ccccc32)cn1 1615613796 BRMOZMVHVBKBHJ-CQSZACIVSA-N 286.335 0.760 0 50 CCAA CC(C)N1C[C@H](CN2CC(N3CCOCC3)C2)CCC1=O 1775983287 JPFXWWMOAHDILD-AWEZNQCLSA-N 295.427 0.650 0 50 CCAA COc1cc(/C=C2\NC(=O)NC2=O)cc(OC)c1OC 16923538 MIPHJRZSHMVBJB-YWEYNIOJSA-N 278.264 0.893 0 50 CCAA O=C1C[C@H](N2CCOCC2)C(=O)N1CCc1ccccc1 18116343 FUYDIJQDGWAJKZ-AWEZNQCLSA-N 288.347 0.689 0 50 CCAA CCc1nnc(NC(=O)CSc2nnnn2C)s1 4560348 CZCBTHRUTXGCKM-UHFFFAOYSA-N 285.358 0.355 0 50 CCAA O=C(c1cccnc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 4749805 NKVKRCJGXMYWOG-CYBMUJFWSA-N 289.335 0.545 0 50 CCAA Cc1nn(C)c2c1[C@@H](NC(=O)C1=NNC(=O)CC1)CCC2 1857680164 CQRTYUKPKSGCAW-VIFPVBQESA-N 289.339 0.488 0 50 CCAA Cc1nc(O)cc(CNC(=O)[C@@]2(C)CC23CCNCC3)n1 1857681516 LZXWEJKVWLJBKV-CQSZACIVSA-N 290.367 0.887 0 50 CCAA O[C@@]1(Cn2ccnc2-c2cccc3ccnn23)CCNC1 1875243208 WKRSEHQRPVEMFM-HNNXBMFYSA-N 283.335 0.922 0 50 CCAA O=C(CNC[C@@H]1CCCO1)N(C[C@H]1CCCN1)C1CC1 328634703 MYBZYJFHRMQNGS-OCCSQVGLSA-N 281.400 0.498 0 50 CCAA O=C(CN1CCNCC1)N1CCC(c2ccncc2)CC1 638272383 MTTIKRHXERNSNU-UHFFFAOYSA-N 288.395 0.693 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H]1CC(=O)O 262993531 QNQVENDNLFVTSG-LLVKDONJSA-N 295.339 0.881 0 50 CCAA CSc1nc(N)cc(N2C[C@H]3COC[C@@H](C2)CN3C)n1 1704307651 DERBCGKHFQYSSQ-ZJUUUORDSA-N 295.412 0.548 0 50 CCAA CO[C@@H]1CN(Cc2nonc2C)C[C@H]1c1cnn[nH]1 818284994 BSDXVNXVASLETE-GZMMTYOYSA-N 264.289 0.111 0 50 CCAA Cc1noc(C[C@H]2CCCN(c3nnnn3C)C2)n1 929059014 NYNDLRMDJDTUPW-SECBINFHSA-N 263.305 0.361 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1O)c1cc(C2CC2)[nH]n1 863364577 QYYQQOWRIZACTP-KWQFWETISA-N 251.286 0.167 0 50 CCAA CCOC(=O)[C@H](C)N1CC[C@@H](S(=O)(=O)NC2CC2)C1 229900126 AFAHKFDOEHYATN-GXSJLCMTSA-N 290.385 0.094 0 50 CCAA NCc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CO)ccn1 231793507 GNSMQUYEAMHWGX-DGCLKSJQSA-N 263.341 0.821 0 50 CCAA O=S(=O)(Cc1ccccc1F)N[C@@H]1CCCNC1 237841152 YAOCDDQWBILOLW-LLVKDONJSA-N 272.345 0.997 0 50 CCAA C[C@@H](C(=O)N1CCC(c2nc[nH]n2)CC1)n1cccn1 426431348 QCZCJFIPNOYRJM-JTQLQIEISA-N 274.328 0.968 0 50 CCAA O=C1NC(=O)[C@@]2(CCN(Cc3cc(F)ccc3F)C2)N1 371047319 BTQVUHHXKYEEOM-ZDUSSCGKSA-N 281.262 0.749 0 50 CCAA CN(Cc1cnccn1)C[C@H]1CCCS1(=O)=O 929798818 PTMIIPAURHRYAG-LLVKDONJSA-N 255.343 0.486 0 50 CCAA CC1(C)CC2(CC(C)(C)N1)OC(=O)N(CCO)[C@]2(C)O 36891 QQPVOKKVHVTGHO-CYBMUJFWSA-N 286.372 0.819 0 50 CCAA Cn1cnc2c[nH]c(=NCCCc3csc(=N)[nH]3)nc21 2100545655 ZRHQNQBQVKFMDC-UHFFFAOYSA-N 289.368 0.699 0 50 CCAA COc1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1 115629 OBJMYFSVQAFURS-UHFFFAOYSA-N 298.364 0.413 0 50 CCAA CCS(=O)(=O)N1CCC(C(=O)NC2CC2)CC1 262525 RYXRLBMXSSMZRC-UHFFFAOYSA-N 260.359 0.327 0 50 CCAA Cc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1 2768858 RETFUSCQZDUZCU-UHFFFAOYSA-N 297.369 0.532 0 50 CCAA Cn1nccc1C(=O)N1CCC2(CC1)OCCO2 6740967 KDSNXQASABGVLQ-UHFFFAOYSA-N 251.286 0.399 0 50 CCAA CCN1CCN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]1c1ncc[nH]1 348792963 OERCTUXHCQCHTF-ZYHUDNBSSA-N 293.371 0.140 0 50 CCAA C[C@@H](O)CN(C[C@@H](O)CN1CCCC1=O)c1ccccc1 229760463 GFOMOVVGEAAEJE-HIFRSBDPSA-N 292.379 0.857 0 50 CCAA COc1ccc(OC)c(-n2c(CCN)n[nH]c2=O)c1 65528556 XOXDZRPHAXMSAZ-UHFFFAOYSA-N 264.285 0.079 0 50 CCAA O=S1(=O)CCCN1Cc1nccn1C(F)F 328674298 PXLRUFFPGFSMLE-UHFFFAOYSA-N 251.258 0.814 0 50 CCAA Cc1nc(C)n(C2CN(c3nccn4cnnc34)C2)n1 328804618 KIYFYDBFXKQPTH-UHFFFAOYSA-N 270.300 0.394 0 50 CCAA CC(C)Cc1ncc2c(n1)CN(C(=O)Cn1ncnn1)C2 67563383 MRXFSPAEJSIOAP-UHFFFAOYSA-N 287.327 0.204 0 50 CCAA O[C@@]1(Cn2ccnn2)CCCN(c2ncccn2)C1 284700682 JVWUPBJLCYTOEB-LBPRGKRZSA-N 260.301 0.100 0 50 CCAA CN(C)S(=O)(=O)N(C)c1ccc(C(=O)O)cc1 39315710 LNNUOFHTPVKBAC-UHFFFAOYSA-N 258.299 0.627 0 50 CCAA Cc1n[nH]cc1NS(=O)(=O)c1c(C)nn(C)c1C 130226033 KMGGCROJAPKNLI-UHFFFAOYSA-N 269.330 0.869 0 50 CCAA CC(C)(C)n1cc(C(=O)NCCc2nc(=O)o[nH]2)cn1 333366634 YOSVUNNOSXYSKT-UHFFFAOYSA-N 279.300 0.287 0 50 CCAA C[C@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@@H](C)N1 154285583 WYZBFBMYOKBKDX-AOOOYVTPSA-N 263.345 0.364 0 50 CCAA CC(C)OC[C@@H]1CN(Cc2nnnn2C(C)C)CCO1 366733974 JDFMYDZGBVOZAD-LBPRGKRZSA-N 283.376 0.880 0 50 CCAA O=C([C@@H]1C[C@]12CCOC2)N1CCN(C2CC2)CC1 368121517 TUPMIKMMRPBCMJ-JSGCOSHPSA-N 250.342 0.720 0 50 CCAA O=C(CN1CCN(c2ncccn2)CC1)Nc1cccnc1 75638756 PJBCXZLUBDNGDO-UHFFFAOYSA-N 298.350 0.632 0 50 CCAA CO[C@H](C)CS(=O)(=O)N1CC[C@@]2(CCNC2)C1 261994097 FHNQWVHKYYQWGR-GHMZBOCLSA-N 262.375 0.037 0 50 CCAA Cn1ccc(N2CC[C@H](NC(=O)C=C3CCC3)C2=O)n1 378073140 DZNRZSHRQSDOAK-NSHDSACASA-N 274.324 0.752 0 50 CCAA O=C(c1ncc(F)cc1F)N1CCOC[C@H](CO)C1 77285078 HPBDKFYQUYIXJR-QMMMGPOBSA-N 272.251 0.441 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)N(C)[C@H]2CCNC2)n1 179122748 AYKLEYBINYXDDV-NEPJUHHUSA-N 250.346 0.881 0 50 CCAA Cc1cnn(CC(=O)N2CC[C@@H](C(C)(C)O)C2)c1 220536256 KHYOUFINIGULPC-LLVKDONJSA-N 251.330 0.811 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)NCc1cnn(C(C)C)c1 426658578 VEOLBKHVUZXMCN-GFCCVEGCSA-N 293.371 0.884 0 50 CCAA O=C1N[C@@H](C(=O)N2C[C@@H]3CNC[C@@H]3C2)Cc2ccccc21 97610122 LCSHUYQINPLKFE-MBNYWOFBSA-N 285.347 0.019 0 50 CCAA CNC(=O)C[C@H](C)N(C)C(=O)c1cc(C)c(C)[nH]c1=O 97475421 GIVOVTUGGMXGIP-VIFPVBQESA-N 279.340 0.588 0 50 CCAA Cc1ccc(OCCNC(=O)[C@@H]2C[C@H](O)CN2)cc1 269186020 HCACXSAPQNMSBG-AAEUAGOBSA-N 264.325 0.213 0 50 CCAA Cc1noc(CN2CCN(C(=O)[C@@H]3CCCNC3)CC2)n1 164363890 OZELMHSDWLPQSM-GFCCVEGCSA-N 293.371 0.022 0 50 CCAA CCc1c(C)nn(CC(=O)NCCn2cncn2)c1C 534672394 HWQXNTRVUAMJOH-UHFFFAOYSA-N 276.344 0.470 0 50 CCAA CC(C)(C(=O)N[C@@H]1CCc2c[nH]nc2C1)N1CCOCC1 374884570 ZAZVWUGZEIJUJF-GFCCVEGCSA-N 292.383 0.494 0 50 CCAA Cc1c[nH]ccc1=NCCN[C@@H](C)CN1CCN(C)CC1 823789210 RRZFKERIYXQYAW-HNNXBMFYSA-N 291.443 0.449 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)c1cnc(O)[nH]1 828137139 XXLIANQBDVMTTF-UHFFFAOYSA-N 261.285 0.083 0 50 CCAA CN1CCC(CNc2nccc(N)n2)(N(C)C)CC1 823759462 JSFXUQIKHLAWFZ-UHFFFAOYSA-N 264.377 0.497 0 50 CCAA CSc1ncc(CNC(=O)N2CCC[C@H]2C(N)=O)n1C 584888909 NHXKUQQLOZSJDI-VIFPVBQESA-N 297.384 0.301 0 50 CCAA CS(=O)(=O)N1CCCO[C@@H](CN2CCCCC2)C1 824864469 PCYKZEDRILJZOI-LBPRGKRZSA-N 276.402 0.523 0 50 CCAA CN(C)C(=O)NCC(=O)N[C@@H]1CCN(C(C)(C)C)C1 584899705 VYPFPVPNUWIGBV-SNVBAGLBSA-N 270.377 0.247 0 50 CCAA NC(=O)c1cccnc1NC[C@H]1CC(=O)N(C2CC2)C1 670435010 PINDLQPZEANDIM-SECBINFHSA-N 274.324 0.603 0 50 CCAA Cn1cncc1CC(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952848853 MRTVBXOBYLNCSA-QWHCGFSZSA-N 289.339 0.802 0 50 CCAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)CN(C)C(N)=O 1565525326 FDCUTZSCOQOIKZ-RYUDHWBXSA-N 299.371 0.253 0 50 CCAA Cn1nncc1CNC(=O)C[C@H]1C[C@@H]2COC[C@@H]21 1875284108 MDIQZZKCZMZXJF-FXPVBKGRSA-N 250.302 0.104 0 50 CCAA CC(=O)C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1875290484 LITXMPYXQXFNIE-UHFFFAOYSA-N 297.332 0.667 0 50 CCAA CC(=O)NC1(c2ccnc(S(C)(=O)=O)n2)CC1 1875381745 GLNIEPJGKCRKMF-UHFFFAOYSA-N 255.299 0.005 0 50 CCAA COCCN1CC[C@H](CN(C)S(=O)(=O)C(C)C)C1 952873522 YAOLJGXCCAFEOF-GFCCVEGCSA-N 278.418 0.625 0 50 CCAA Cn1nc(C(=O)NS(=O)(=O)C2(C)CC2)cc1C1CC1 408349529 JZVJILOYQHJSOH-UHFFFAOYSA-N 283.353 0.910 0 50 CCAA C[C@@H](C(=O)N(C)C)N1C(=O)NC2(CCSCC2)C1=O 280175763 RJDWHCNKJMOKIV-QMMMGPOBSA-N 285.369 0.281 0 50 CCAA C[C@@H]1CN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1CO 189176930 LDWDOIBHVBCMME-GRYCIOLGSA-N 277.386 0.446 0 50 CCAA CN1CC[C@@H](NC(=O)c2ccc3c(c2)OCO3)CC1=O 190121036 MZTXYGUMTDCGJY-SNVBAGLBSA-N 276.292 0.766 0 50 CCAA O=C(Cc1ccon1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644071171 YEZQGNCONKNJAD-XQQFMLRXSA-N 279.340 0.321 0 50 CCAA O=C(O)c1cccc2c1CN(C(=O)[C@H]1COCCO1)CC2 649258163 JVFVEFZVRAUQMG-CYBMUJFWSA-N 291.303 0.685 0 50 CCAA O[C@H](CN1CCOCC1)CN1CCC(c2ccn[nH]2)CC1 195512787 BIUNLOZCDUWLEG-AWEZNQCLSA-N 294.399 0.282 0 50 CCAA O=C(Nc1cnn[nH]1)[C@@H]1CC(=O)N(Cc2ccco2)C1 789928431 MOYHUNUBTQWOHH-MRVPVSSYSA-N 275.268 0.385 0 50 CCAA O=C(O)COc1ccc(CN2C[C@@H](O)[C@H](F)C2)cc1 1506401435 RDDDJJKFEKUAEE-VXGBXAGGSA-N 269.272 0.665 0 50 CCAA CC(C)CN1CCN(CCS(C)(=O)=O)C[C@H]1CCO 1529099455 XUPYRORMTCVWMF-CYBMUJFWSA-N 292.445 0.056 0 50 CCAA CN(C(=O)c1cccc(O)n1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704343634 LXFUNHLZHKPGCU-OUAUKWLOSA-N 289.335 0.774 0 50 CCAA Cc1cc(C[C@@H]2CN(CCC(C)(C)O)C[C@H]2O)n[nH]1 1704338371 SRKUHIJRVFCRET-DGCLKSJQSA-N 267.373 0.714 0 50 CCAA CC(C)[C@@H]1CN(c2nnc(CN(C)C)n2C)CCO1 1616035727 CHHMEQYTOUBHIE-NSHDSACASA-N 267.377 0.738 0 50 CCAA Cc1nc(C)c(C(=O)N2CCO[C@H]3C[C@H](CO)C[C@@H]32)o1 1857668568 LFNNZJDYXVZGPQ-WOPDTQHZSA-N 280.324 0.903 0 50 CCAA Cc1nn(Cc2nnn(C)n2)c(C)c1Br 235954107 NTQYHSVORWTTTA-UHFFFAOYSA-N 271.122 0.834 0 50 CCAA O=S(=O)(c1cncc(F)c1)N1CCOCC(F)(F)C1 332238304 SSFKMWKHSIQUPO-UHFFFAOYSA-N 296.270 0.877 0 50 CCAA CNCC(=O)N1CCN(Cc2nc(C)c(C)o2)CC1 237202720 ZENMENMXDPADHL-UHFFFAOYSA-N 266.345 0.155 0 50 CCAA CCCc1cncnc1N1CC[C@](C)(O)[C@H](O)C1 248195391 OVJDFWQZLYRDIO-YPMHNXCESA-N 251.330 0.751 0 50 CCAA Cn1cnc2cc(C(=O)N[C@@H]3CCOC[C@H]3O)ccc21 219861698 OUBCHLMUXWPRGF-ZWNOBZJWSA-N 275.308 0.453 0 50 CCAA CCS(=O)(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 13680354 CHEYWHZLDZTKJX-GFCCVEGCSA-N 298.364 0.692 0 50 CCAA CN(Cc1cnc2ccccn12)C(=O)c1ccc(=O)n(C)n1 19939124 GDLVGBJRZTZGQH-UHFFFAOYSA-N 297.318 0.700 0 50 CCAA Cc1ncccc1CN1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857685321 RFZFBXWFYWUFPV-GDBMZVCRSA-N 289.379 0.853 0 50 CCAA Cc1nc2ccc(N3CC[C@H]4CCN(C)C[C@@H]43)nn2n1 253417020 ALHQEHRXOPWDEF-NEPJUHHUSA-N 272.356 0.963 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCCn1ccnc1 239433249 XKOJXENWDLLGAY-WUHRBBMRSA-N 289.335 0.912 0 50 CCAA Cn1ncc(CNC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)n1 811918438 SJNUYEVRYCODPJ-NWDGAFQWSA-N 293.371 0.914 0 50 CCAA CCCNC(=O)NC(=O)CN1CC[C@@](C)(N(C)C)C1 1875275327 XAWWHNVAADLHBQ-CYBMUJFWSA-N 270.377 0.248 0 50 CCAA C=CC(=O)N(C)CC(=O)NC(C)(C)c1cn(C(C)C)nn1 862021276 BQALNMUIEUAXEL-UHFFFAOYSA-N 293.371 0.855 0 50 CCAA Nc1cccc(C(=O)NCCN2CCCCC2=O)n1 223077600 FVTJSKMQNZAYQI-UHFFFAOYSA-N 262.313 0.406 0 50 CCAA O=C(O)c1cccc(CCNC(=O)[C@@H]2COCCO2)c1 111403715 BKBYYWXYSNMVKK-LBPRGKRZSA-N 279.292 0.459 0 50 CCAA CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C2OCCO2)C1 229785695 SUGWMSIEYPCKIV-WDEREUQCSA-N 299.371 0.306 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)NC1CCC(C(=O)O)CC1 236814191 BDQUODCPYXASMA-HTAVTVPLSA-N 282.340 0.757 0 50 CCAA O=C(c1cc(F)ccc1F)N1CCN2C(=O)NC[C@@H]2C1 176265751 VXYPXRGFUXRYGM-SECBINFHSA-N 281.262 0.814 0 50 CCAA Cn1c(Cl)cnc1S(=O)(=O)N1CC(CC(=O)O)C1 2325801292 ARLRNUAEPYWXPR-UHFFFAOYSA-N 293.732 0.169 0 50 CCAA C[C@H]1CCCCN1Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 8461984 SPDOOKVSZUQHGN-VIFPVBQESA-N 291.355 0.335 0 50 CCAA CNCC1CCN(S(=O)(=O)[C@H]2CCCOC2)CC1 225425980 UTYCMVGXMHXUGL-LBPRGKRZSA-N 276.402 0.427 0 50 CCAA CN[C@H]1CCCN(S(=O)(=O)[C@H](C)CCOC)C1 225427435 BXAGTIKAQLZNEZ-MNOVXSKESA-N 264.391 0.425 0 50 CCAA O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1 100787358 WBNDFEDHENZPNW-ZDUSSCGKSA-N 273.336 0.219 0 50 CCAA C[C@@H](NS(=O)(=O)NC1CCCC1)C(=O)NC(C)(C)C 225659476 ZUCORGLTOXCBRG-SECBINFHSA-N 291.417 0.656 0 50 CCAA COc1c(F)ccc(C(=O)N2CCO[C@@H](CN)C2)c1F 67678358 SRILGDIPWAFAAQ-QMMMGPOBSA-N 286.278 0.773 0 50 CCAA Cc1cc(C(=O)NCCN2CCCOC2=O)nn1C 20854922 QNXQHXPHIDQIDK-UHFFFAOYSA-N 266.301 0.301 0 50 CCAA CCOCC(=O)N(C)C[C@@H]1CCn2ccnc2C1 328620191 GUCUGIUMYLDVOZ-LLVKDONJSA-N 251.330 0.940 0 50 CCAA CCOc1cccc(C(=O)N[C@@H](C)c2nc(=O)[nH][nH]2)c1 215688188 GQVLKBGRVCVQQO-QMMMGPOBSA-N 276.296 0.988 0 50 CCAA NC(=O)[C@@]1(O)CCCN(C(=O)c2cccc3[nH]ccc23)C1 314536013 JFUPFIQBJBGPFU-OAHLLOKOSA-N 287.319 0.620 0 50 CCAA CS[C@H](C)C(=O)Nc1ccn([C@H]2CCNC2)n1 328621973 IDFLADOOTIUTRC-BDAKNGLRSA-N 254.359 1.108 0 50 CCAA CCN1CCN(C(=O)[C@H](C)COC)C[C@H]1c1ncc[nH]1 328642742 YLNBMNSNAYQNGN-NEPJUHHUSA-N 280.372 0.897 0 50 CCAA CNS(=O)(=O)c1ccc(OC)c(-c2noc(C)n2)c1 35476571 DREGKFSHERVGBM-UHFFFAOYSA-N 283.309 0.962 0 50 CCAA Cn1cncc1C(=O)N1CC(=O)N(CC(F)(F)F)C1 329675380 OZYDKJOUSLSNQF-UHFFFAOYSA-N 276.218 0.224 0 50 CCAA Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cnn(C)n1 368130428 BVHIUYMHRSFLMT-LBPRGKRZSA-N 276.344 0.729 0 50 CCAA N=c1[nH]nc(CNC(=O)[C@H]2CCCCN2C2CCCC2)o1 368610864 BKFJCRQYOJUNOF-LLVKDONJSA-N 293.371 0.895 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)Cc1ccsc1 128281675 YGAAMUMMUVKWIW-SNVBAGLBSA-N 269.322 0.993 0 50 CCAA O[C@@H](CN1CC[C@@H](O)C12CCCC2)Cn1cccn1 333465643 QJIQIFNTUUUSFF-QWHCGFSZSA-N 265.357 0.623 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)NCCc1nc(=O)o[nH]1 280040683 GHSYJAWCVFZCOV-BDAKNGLRSA-N 269.301 0.227 0 50 CCAA CCOC(=O)N1CC[C@@H](N2C(=O)[C@H]3CCCN3C2=O)C1 242284656 YIPRSCXBKKYWAV-NXEZZACHSA-N 281.312 0.644 0 50 CCAA O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@H]1CC12CC2 426573000 DHUKHDVUFUTVST-MRVPVSSYSA-N 270.296 0.678 0 50 CCAA Cc1noc([C@@H]2CN(c3cnccn3)CCN2C)n1 284445262 FYQDEMNQWMXWLP-JTQLQIEISA-N 260.301 0.661 0 50 CCAA Cc1ccn2c(F)c(C(=O)NCc3nc(O)n[nH]3)nc2c1 426515817 YZAYJUZATKDYOP-UHFFFAOYSA-N 290.258 0.536 0 50 CCAA CC(C)Cc1cc(C(=O)NCCN2CCCC2=O)n(C)n1 82097950 XKVCKOGYEFRKQY-UHFFFAOYSA-N 292.383 0.971 0 50 CCAA COC(=O)NCC(=O)N1CCN(c2ncccc2C)CC1 91635739 YGQBGFQQIZGTMI-UHFFFAOYSA-N 292.339 0.395 0 50 CCAA CCN(Cc1ccc(C)o1)C(=O)CN1C(=O)CCNC1=O 95526847 SJPVDYSQXZNFCC-UHFFFAOYSA-N 293.323 0.878 0 50 CCAA C[C@@H]1CNCCN1C(=O)Cn1nnc2ccccc21 179107977 QHADGANOOKUKGX-SNVBAGLBSA-N 259.313 0.252 0 50 CCAA O=C(CN1CCOC1=O)NCC[C@@H]1CCCOC1 534646741 BMHHXFYVGHEZRM-JTQLQIEISA-N 256.302 0.372 0 50 CCAA COc1cccc(F)c1CN1CCN(CC(=O)O)C(=O)C1 534632930 PAIYRSKDLRQFNS-UHFFFAOYSA-N 296.298 0.563 0 50 CCAA CCN1CCN(CC(=O)NC[C@H](C)n2cc(C)cn2)CC1 534632086 WUEGSUNFRWIBLJ-AWEZNQCLSA-N 293.415 0.506 0 50 CCAA Cc1ccc(C(=O)NCc2noc(C(N)=O)n2)n1C(F)F 534671756 YSPUORPCGFDEKN-UHFFFAOYSA-N 299.237 0.604 0 50 CCAA COc1ccc(F)cc1C(=O)NC[C@H]1CN(C)CCO1 299427916 JYCVAGSJXHQTRI-NSHDSACASA-N 282.315 0.895 0 50 CCAA CCn1nc(CO)c2c1CCN(Cc1nonc1C)C2 828837269 RFZIUANKVAMWPG-UHFFFAOYSA-N 277.328 0.645 0 50 CCAA CC(C)N1CC[C@@H](CN(C)S(=O)(=O)c2cn[nH]c2)C1 670459198 TUZGNIAPQKLFQS-NSHDSACASA-N 286.401 0.761 0 50 CCAA CCc1nnc(NC(=O)c2cnn(CCO)c2)s1 1347375365 PZYYFFHHOYOUTQ-UHFFFAOYSA-N 267.314 0.542 0 50 CCAA Nc1nc(N)nc(N[C@@H]2CCO[C@H]2c2ccccc2)n1 1472852921 ZEVPIMSGPRRAMH-ZJUUUORDSA-N 272.312 0.978 0 50 CCAA Cc1ccc(CC(=O)N2CCO[C@H](CC(=O)O)C2)cn1 269030713 MPPXYMIAFXIZJA-GFCCVEGCSA-N 278.308 0.635 0 50 CCAA CN(C)S(=O)(=O)n1ccc(Br)n1 90502739 PYBWMCRVFDXECL-UHFFFAOYSA-N 254.109 0.300 0 50 CCAA in-vitro CC[C@H](NC(=O)c1cn(CCN)nn1)c1c(C)noc1C 574174017 URCKQCCJRWYJJR-JTQLQIEISA-N 292.343 0.723 0 50 CCAA CO[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC(=O)N1C 408167341 XMUBMNASDOVJLI-AXFHLTTASA-N 254.330 0.681 0 50 CCAA C[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C(N)=O)cs1 408294524 NHLPNBVXGYQPCR-HTRCEHHLSA-N 254.311 0.442 0 50 CCAA COC(=O)[C@H](NCc1nc2ccccc2n1C)[C@H](C)O 191015419 DUHTVVDKPVFWKU-TVQRCGJNSA-N 277.324 0.585 0 50 CCAA CCN(CC)C(=O)CCC(=O)N1CCOC[C@]12CCOC2 194396142 LDEWCPXEEIFABG-OAHLLOKOSA-N 298.383 0.653 0 50 CCAA CC[C@](C)(O)Cc1cn([C@@H]2CCN(C)C2=O)nn1 585091531 UIQRCDXTJTUXLQ-PWSUYJOCSA-N 252.318 0.385 0 50 CCAA CCc1ccccc1S(=O)(=O)N1CCOC[C@@H]1CO 585115321 WCCZNWSNJUWSDW-LBPRGKRZSA-N 285.365 0.631 0 50 CCAA CN(C)c1nc(N(C)Cc2nncn2C)ncc1F 1506401869 OFCJUTJWSXVPHP-UHFFFAOYSA-N 265.296 0.447 0 50 CCAA CCN(CC)C(=O)CN1C[C@@H](O)[C@H](Cc2cc(C)no2)C1 1529093987 FEYCRXKGTCINHH-TZMCWYRMSA-N 295.383 0.687 0 50 CCAA Cc1ccccc1N1CCN(S(=O)(=O)N(C)C)CC1 1070644 LKBZBPWDEJHOGP-UHFFFAOYSA-N 283.397 0.923 0 50 CCAA CC(C)Cc1cc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)no1 1857686415 VOMTVWVONLODDL-FDYHWXHSSA-N 296.323 0.130 0 50 CCAA CC(C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CCN1C 408355497 AHNHEXFBMUMJKT-FRRDWIJNSA-N 281.400 0.700 0 50 CCAA CCOC1(C(=O)N2CCC[C@](O)(CC(N)=O)C2)CCCC1 643998588 NTKPKKIEYOSIQJ-AWEZNQCLSA-N 298.383 0.565 0 50 CCAA CCOC[C@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CCNC2)C1 662488122 JYFRGMQJBOOTLW-RYUDHWBXSA-N 292.383 0.985 0 50 CCAA O=C(O)[C@@]12COc3ccccc3[C@@H]1CN(CCO)C2 247359394 DPADFZIXVHGYQA-FZMZJTMJSA-N 263.293 0.542 0 50 CCAA CN1CCC(NCc2cn(Cc3cncs3)nn2)CC1 900552497 KMURWQXROOEBKA-UHFFFAOYSA-N 292.412 0.967 0 50 CCAA Cc1nc[nH]c1CN1C[C@@H]2COC[C@H](C1)N(C)C2 1704303624 MIXYLGIZZBBJIO-NEPJUHHUSA-N 250.346 0.481 0 50 CCAA CC(C)[C@H](CCO)NC(=O)C1CN(C)CCN(C)C1 863948181 QKSWSRYGNBNXRO-ZDUSSCGKSA-N 271.405 0.003 0 50 CCAA NC[C@H]1CCN(C[C@H](O)COc2ccccc2)C1 864096847 KCNMCRQKHFOQHF-OLZOCXBDSA-N 250.342 0.707 0 50 CCAA C[C@@](N)(CO)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 1875273564 KJZQXSPBPQMJRK-GDBMZVCRSA-N 288.347 0.699 0 50 CCAA CN(C)C/C=C/C(=O)NCc1coc(CN(C)C)n1 1875376776 IBKOBQLYDMJVSY-AATRIKPKSA-N 266.345 0.470 0 50 CCAA CN(C)C/C=C/C(=O)NCc1ncc(N(C)C)cn1 1875376816 JLBYBRXDMFRPOC-AATRIKPKSA-N 263.345 0.277 0 50 CCAA CCc1ncc(C(=O)NC(C)(C)c2nc[nH]n2)c(O)n1 1875331428 GSSIPGFSKOEULD-UHFFFAOYSA-N 276.300 0.528 0 50 CCAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1cocn1 1875402339 GKRDGRPMTZYEFP-HOSYDEDBSA-N 276.296 0.441 0 50 CCAA COC(=O)N1CCC[C@@H]1C(=O)N1CC(OC(F)F)C1 1775996551 MUEZUGXHQWSLJH-MRVPVSSYSA-N 278.255 0.667 0 50 CCAA Cc1cc(NC(=O)CSc2nc(N)cc(O)n2)no1 9668023 DIGLSFUISPLBKN-UHFFFAOYSA-N 281.297 0.792 0 50 CCAA Cc1cc(C)nc(N2N=C(c3ccnn3C)CC2=O)n1 899346877 ZAIGXXNOMVPHSF-UHFFFAOYSA-N 270.296 0.968 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@H]1C(=O)O 159906818 NNHISXLDTMECLW-QWRGUYRKSA-N 268.313 0.463 0 50 CCAA COCC1(Cc2nc(N3CCNCC3)no2)CC1 401319470 VVYVYMNDZKSRHD-UHFFFAOYSA-N 252.318 0.448 0 50 CCAA C[C@](O)(CN1[C@H]2CC[C@H]1CC(=O)NC2)C(F)(F)F 407957842 OIPXWJVUPURJRG-NRPADANISA-N 266.263 0.653 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)Cc2c(C)n[nH]c2C)C1 703741885 LHHNYPLLSYHBIB-ZDUSSCGKSA-N 281.312 0.271 0 50 CCAA CN1CCOC[C@H]1C(=O)Nc1ccc2nn(C)nc2c1 2100541269 YLXMVTIUHSQEJL-LBPRGKRZSA-N 275.312 0.237 0 50 CCAA CCCn1[nH]c(=NC(=O)CS(=O)(=O)CC)cc1C 2100545072 PADPRSFMOPOYQN-UHFFFAOYSA-N 273.358 0.397 0 50 CCAA C[C@H]1CN(C2CC2)CCN1C(=O)c1csc(=N)[nH]1 402686217 BHBWHNXJRCROJC-QMMMGPOBSA-N 266.370 0.864 0 50 CCAA COC(=O)c1ccc2c(c1)CC[C@@H](NC(C)=O)C(=O)N2 1456488015 RCOAVRXQGUSJOM-GFCCVEGCSA-N 276.292 0.863 0 50 CCAA CC(C)(C)NC(=O)CNS(=O)(=O)c1ccccc1 2836143 HAOUCCGEAKNIIB-UHFFFAOYSA-N 270.354 0.880 0 50 CCAA COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)O 4857984 OQTUGKVWNZIGKA-QMMMGPOBSA-N 273.310 0.755 0 50 CCAA CCOC(=O)N1CCN(C(=O)c2c[nH]c(C)n2)CC1 20785445 ZZDFNLWQMVFNQG-UHFFFAOYSA-N 266.301 0.632 0 50 CCAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)N(C)C 247948375 KQLLFBXRWCWVGR-MXWKQRLJSA-N 290.385 0.599 0 50 CCAA CN1CCN(C(=O)c2cn3ccccc3n2)CC1=O 20363486 UBGUULREVDGOQN-UHFFFAOYSA-N 258.281 0.249 0 50 CCAA Cc1nc(N(C)C)nc(NCCCc2nnn[nH]2)c1C 65527684 JAFGVTMLYSIBLG-UHFFFAOYSA-N 276.348 0.717 0 50 CCAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@H](C)O[C@H](C(=O)O)C1 1600669156 XABKXBQAVYXYNK-UFBFGSQYSA-N 295.339 0.660 0 50 CCAA COCC(=O)N1CCC[C@@H](c2nc(CN(C)C)no2)C1 67786371 WMORERVZYZWQCI-SNVBAGLBSA-N 282.344 0.484 0 50 CCAA O=C(O)C(=O)NC[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 328596875 BCGSQPVBPMINCB-CMPLNLGQSA-N 280.299 0.720 0 50 CCAA CC(=O)c1cc(OCC(=O)O)ccc1OCC(=O)O 71772094 CNDAZHSQTGCYIY-UHFFFAOYSA-N 268.221 0.816 0 50 CCAA O=C([C@@H]1CNCCO1)N1CCc2n[nH]c(C3CCC3)c2C1 72426624 GCUFHGPIOSRTGU-ZDUSSCGKSA-N 290.367 0.550 0 50 CCAA O=C(NC[C@@H]1CCCc2ccccc21)[C@@H]1C[C@H](O)CN1 151802733 CYNFSSNDNZDFCD-YDHLFZDLSA-N 274.364 0.946 0 50 CCAA O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ccoc1 332175141 XDKJXLSWYKLEFM-LBPRGKRZSA-N 278.308 0.789 0 50 CCAA CC1(C)c2ccccc2CCN1C(=O)Cn1cnnn1 332206860 YTMXFQXRABWQGH-UHFFFAOYSA-N 271.324 0.993 0 50 CCAA CCc1nc(C(=O)NS(=O)(=O)C[C@@H]2CCOC2)co1 127264097 GWGJRLZCQRDUAJ-MRVPVSSYSA-N 288.325 0.333 0 50 CCAA C[C@H](CCc1ccccc1)NC(=O)c1cn(CCN)nn1 77407227 WAZNWMFQBPKTCS-GFCCVEGCSA-N 287.367 0.988 0 50 CCAA CCCO[C@@H](C)CNC(=O)c1ccc(=O)n(C)c1 215562511 KMWYRMJRYDXJLX-JTQLQIEISA-N 252.314 0.930 0 50 CCAA O=C(C[C@@H]1COCCN1)Nc1ccc2c(c1)OCC(=O)N2 72164329 DQIBEYDHCGJWBY-SNVBAGLBSA-N 291.307 0.335 0 50 CCAA Cc1nn(CC(=O)N2CCN[C@@H](C)C2)c(C)c1Cl 237615828 FJUVPLMJGCRVMU-QMMMGPOBSA-N 270.764 0.974 0 50 CCAA O=C(C(=O)N1CCC[C@@]2(CCNC2)C1)N1CCC=C(F)C1 335380638 VGZNESCUVMHGOM-HNNXBMFYSA-N 295.358 0.674 0 50 CCAA CN1C(=O)COc2ccc(NCCCS(C)(=O)=O)cc21 158258868 DHMWZGMLRWERQD-UHFFFAOYSA-N 298.364 0.888 0 50 CCAA COCC[C@H](C)NS(=O)(=O)c1c(N)noc1C 281201183 PFWVWVOMZOZZBK-LURJTMIESA-N 263.319 0.269 0 50 CCAA Cc1nnnn1CCC(=O)N1CC(N2CCCCC2)C1 223919407 YZDIKTJGVMJKKC-UHFFFAOYSA-N 278.360 0.068 0 50 CCAA CO[C@H]1C[C@@H](CN(C)Cc2nccc(N)n2)N(C)C1 284780042 IOBZFRYEQAMSHO-QWRGUYRKSA-N 265.361 0.210 0 50 CCAA COCCN(C)C(=O)NCc1nc(C)cc(C)n1 426371974 HAXOABPUQNNHOJ-UHFFFAOYSA-N 252.318 0.881 0 50 CCAA C[C@@H]1CN(CCCn2cnnn2)CC[C@@]1(O)C1CCC1 91433920 VIUIBUMNUGODDE-OCCSQVGLSA-N 279.388 0.936 0 50 CCAA c1cnn(C[C@@H]2CN(Cc3c[nH]cn3)CCCO2)c1 97402524 OHJBGRDDLNDJPI-ZDUSSCGKSA-N 261.329 0.897 0 50 CCAA CN1CC[C@H](NC(=O)c2ncccc2F)CC1=O 613829979 MDFDVQWLQMCUGL-QMMMGPOBSA-N 251.261 0.571 0 50 CCAA CCCO[C@H]1CCCN(C(=O)NCc2nc(N)n[nH]2)C1 534654436 ULEKGQHDCIRGEN-VIFPVBQESA-N 282.348 0.488 0 50 CCAA COC(=O)c1ccc(NC(=O)CN2CCN(C)C2=O)nc1 1940195679 XOFUWWZCYDUXKJ-UHFFFAOYSA-N 292.295 0.174 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H](N2CCOCC2)[C@H](CC)C1 299754145 FOOQTDYPYYQRDF-LXTVHRRPSA-N 296.411 0.981 0 50 CCAA Cc1nc(NC[C@@H](O)CN(C)C)nc2c1CCCC2 823680458 IBSRXKGJFPRPFF-LLVKDONJSA-N 264.373 0.998 0 50 CCAA CCc1nccn1CCC(=O)NCCN1CCOCC1 823557614 YDXFYGMQHPCPFQ-UHFFFAOYSA-N 280.372 0.284 0 50 CCAA Cc1nc([C@@H]2CCCN(Cc3nc4ncccn4n3)C2)n[nH]1 825262165 PRCVCMOVZXPDHR-LLVKDONJSA-N 298.354 0.930 0 50 CCAA O=C(NCCCN1CCCC[C@H]1CO)[C@H]1CC[C@@H](O)CC1 828710836 MASPJPYDPUWXHH-SOUVJXGZSA-N 298.427 0.891 0 50 CCAA Cc1cc(-c2nc(CC(N)=O)nn2CC(C)(C)O)c(C)o1 826841868 DFVBTAQJJSSGGL-UHFFFAOYSA-N 292.339 0.954 0 50 CCAA CCCOC[C@@H]1CCN(C(=O)Cn2cccnc2=O)C1 584897472 WERYVMCQMSWSIV-GFCCVEGCSA-N 279.340 0.518 0 50 CCAA CC(=O)N1CCN(Cc2nc(C)c(C)s2)C[C@H](O)C1 670449554 BZHDUGCCGVTHPY-LBPRGKRZSA-N 283.397 0.785 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)CN(C)C1CCNCC1 584893052 RQBQVXRFUMFEHI-UHFFFAOYSA-N 298.431 0.091 0 50 CCAA CO[C@H]1CN(Cc2ccc3nsnc3c2)C[C@@H]1O 670451998 SWGZEZJFWUAAMU-RYUDHWBXSA-N 265.338 0.883 0 50 CCAA O=C(c1ccncn1)N1CC[C@@H](c2cc(O)nc(O)n2)C1 1418306406 HIMBXWFTOADTDD-MRVPVSSYSA-N 287.279 0.308 0 50 CCAA C[C@H](NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2)[C@H]1CCCO1 239222099 UJGOJRKBMOWWKF-VQJPJQAJSA-N 281.308 0.324 0 50 CCAA C[C@@H](NC(=O)Cc1ccn(C)n1)c1nn(C)cc1O 1456791304 SIBCPXCAYYGDKJ-MRVPVSSYSA-N 263.301 0.279 0 50 CCAA CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)O)cc1 268878935 CLOLNKPAMVJVTC-LBPRGKRZSA-N 290.319 0.981 0 50 CCAA CCc1nc(C(=O)N2CCC[C@H](N(C)C)C2)no1 408330788 TYLWVHWJEPHAKN-VIFPVBQESA-N 252.318 0.798 0 50 CCAA CCc1nc(CN2CC[S@](=O)CC[C@@H]2C)no1 408396660 UNGZUKDRXRDORW-HUTHGQBESA-N 257.359 0.975 0 50 CCAA CCOC1CC(O)(CNC(=O)[C@H]2CCCO[C@@H]2C)C1 408474776 QBOCETPVVPEGNF-JJMZSNKZSA-N 271.357 0.848 0 50 CCAA C[C@H](C(=O)N(C)CCN(C)C1CC1)[C@H]1CCC(=O)N1 408522111 DBDCHRGINTVUKJ-CMPLNLGQSA-N 267.373 0.454 0 50 CCAA O=C(c1c[nH]c2ncccc12)N1CC[C@H](CO)[C@H](O)C1 546696878 ZJQNPMUGSKMEKJ-BXKDBHETSA-N 275.308 0.378 0 50 CCAA Cc1conc1C(=O)N1CCC[C@H]1CN1CCOCC1 631537603 GROCAOKDKFTOSD-LBPRGKRZSA-N 279.340 0.920 0 50 CCAA CC(C)N(C)CC(=O)N1CCN(C)[C@@H](c2nccn2C)C1 276789832 VJJVTRDFVYJVCO-CYBMUJFWSA-N 293.415 0.575 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1cnn(CC(=O)NC)c1 277088312 VKPNYWABEZIUMV-NWDGAFQWSA-N 294.355 0.773 0 50 CCAA Cc1ccc(C(=O)N2CCCNCC2)cc1S(C)(=O)=O 195121274 VQKQWRUYXYQQCB-UHFFFAOYSA-N 296.392 0.834 0 50 CCAA O=C(c1ccc2c(c1)COB2O)N1CC2(CCC2(F)F)C1 584990384 CPZUPNQEYSIPHN-UHFFFAOYSA-N 293.078 0.776 0 50 CCAA CN1CC[C@H](n2cc(C3(O)CCCCC3)nn2)C1=O 585091535 WBVQUAPEYBMXAM-JTQLQIEISA-N 264.329 0.833 0 50 CCAA Cc1cnc(C(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)cn1 1529104411 OZIRBMATQOUMON-UKRRQHHQSA-N 298.346 0.856 0 50 CCAA CN1CCC[C@]2(C(=O)O)CCN(c3cnccn3)C[C@@H]12 1704325684 LMDWNBCGRGWORW-RISCZKNCSA-N 276.340 0.852 0 50 CCAA Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704339643 URIUNWKXWLLBJL-ZYHUDNBSSA-N 287.323 0.184 0 50 CCAA CN(C)[C@@H](C(=O)N1CC2(CNC2)C1)c1cccc(F)c1 1857682580 WQZSDEUHLLAQFC-CYBMUJFWSA-N 277.343 0.860 0 50 CCAA CC[C@H](CO)NCc1ccc(OCC(N)=O)cc1 5078334 QRCWNKPBMWAEAE-LLVKDONJSA-N 252.314 0.411 0 50 CCAA O=C(CSc1nccc(=O)[nH]1)Nc1nccs1 5135317 FNMWJVWRFRJNAC-UHFFFAOYSA-N 268.323 0.957 0 50 CCAA Cn1ncc2c(O)nc(CN3C[C@@H]4C[C@]4(C)C3)nc21 1772814508 CSCLOCZGIHIUQG-ISVAXAHUSA-N 259.313 0.911 0 50 CCAA O=S(=O)(Cc1ccccc1)NCCN1CCOCC1 19805551 KUQFQJDRPWIMAW-UHFFFAOYSA-N 284.381 0.438 0 50 CCAA CC(C)N(CCOC(=O)[C@H]1CCC(=O)N1)C(C)C 96028156 ZNKYPLWRRFDUCH-LLVKDONJSA-N 256.346 0.927 0 50 CCAA CCOc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1C 4869318 CNWVRHSEPXYGKW-UHFFFAOYSA-N 286.353 0.500 0 50 CCAA C[C@H]1CN2C[C@@H](Nc3ncnc4[nH]cnc34)C[C@H]2CO1 1857721232 GECHIMPSOOZTAA-GUBZILKMSA-N 274.328 0.626 0 50 CCAA O=C(NC[C@@H]1CCCCO1)c1cn2c(n1)CCNCC2 1875244985 FFEWBLHTMIJZTF-NSHDSACASA-N 278.356 0.328 0 50 CCAA CN1C[C@@H](C(=O)NCc2cnn(C)c2)c2ccccc2C1=O 683759453 YYZPVPHYGJEHJO-CQSZACIVSA-N 298.346 0.906 0 50 CCAA O=C(NCc1cccc2c1OCCCO2)c1c[nH]nn1 125681354 PDWYRQIFHLWNCY-UHFFFAOYSA-N 274.280 0.896 0 50 CCAA CN(Cc1nc(O)n[nH]1)C(=O)Cn1cc(Cl)cn1 1875296000 FKEFITIPXSSTLY-UHFFFAOYSA-N 270.680 0.019 0 50 CCAA O=C(c1ccc(-n2cccc2)nc1)N1CC[C@](O)(CO)C1 1875286608 XGZYKOQWIIFNKD-OAHLLOKOSA-N 287.319 0.442 0 50 CCAA C=CC(=O)N1CC(C(=O)NC[C@@]2(OC)CCCSC2)C1 1875387276 ZBTFGLLNXJIUMD-AWEZNQCLSA-N 298.408 0.659 0 50 CCAA COCC1(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)CC1 887907780 GTTZBHKFOJMEFD-PHIMTYICSA-N 287.381 0.306 0 50 CCAA C[C@H]1CO[C@@H](C(=O)NS(=O)(=O)Cc2cccnc2)C1 1774746364 ZZRVCULOIYHNGR-MWLCHTKSSA-N 284.337 0.453 0 50 CCAA OCC(O)(CO)CNc1ncnc2c1oc1ccccc12 1775991391 KETLXRRMYVJGJQ-UHFFFAOYSA-N 289.291 0.504 0 50 CCAA NC(=O)CN1CCN(Cc2cccc(F)c2)CC1 20437815 XHYMOQLMMDBBLX-UHFFFAOYSA-N 251.305 0.429 0 50 CCAA COCC1(C(=O)N2CCN(C)[C@@H](C(=O)O)C2)CCC1 67847757 YWDLAVBOFWGQQH-SNVBAGLBSA-N 270.329 0.030 0 50 CCAA Cc1n[nH]cc1C(=O)N1CCN([C@@H]2CCSC2)CC1 370361503 GNPIYSWBVKRDHH-LLVKDONJSA-N 280.397 0.981 0 50 CCAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cn2cccn2)C1 379254194 DLVMHFNKFOXGLF-BDAKNGLRSA-N 276.262 0.764 0 50 CCAA Cn1cc(C(=O)N[C@H](CC(=O)O)C(F)(F)F)cn1 829368728 CVMQXYCASHRZFY-ZCFIWIBFSA-N 265.191 0.556 0 50 CCAA CC1=C(C(N)=O)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 71768 RLGVDUOSUQATTQ-NSHDSACASA-N 275.264 0.529 0 50 CCAA CNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 379586 QXBJDNWNZIOAND-UHFFFAOYSA-N 260.290 0.338 0 50 CCAA O=S1(=O)C[C@H](O)[C@@H](Nc2ccc(Cl)cc2)C1 988923 BGCCMXFVNQHEJF-UWVGGRQHSA-N 261.730 0.910 0 50 CCAA Cc1nc(=NCCc2nc(N)cc(O)n2)[nH]c(C)c1C 2356167940 JLTSBFDOOSTOJE-UHFFFAOYSA-N 274.328 0.556 0 50 CCAA CC(C)C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O 55145672 FHQWMALYJBMVMD-QWHCGFSZSA-N 277.368 0.573 0 50 CCAA CC(C)COCCC(=O)Nc1ccn([C@H]2CCNC2)n1 328631078 QODNJODYCLEMQQ-LBPRGKRZSA-N 280.372 1.419 0 50 CCAA Cc1cc2c(=N[C@H](C)C3(S(C)(=O)=O)CC3)[nH]ccn2n1 329214475 LEKPVPXNHYXIII-SNVBAGLBSA-N 294.380 0.837 0 50 CCAA CN1CCCCC[C@@H]1C(=O)NCCc1nncn1C 65403276 GCYZQSBZHWZVSJ-LLVKDONJSA-N 265.361 0.348 0 50 CCAA COC(=O)[C@@H]1CCC[C@H](NC(=O)c2ncccn2)C1 252551343 UCODBVFRPLCDJL-ZJUUUORDSA-N 263.297 0.938 0 50 CCAA CN(C)c1ncccc1N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 331165628 HRZRBDLJBUNIMT-SNVBAGLBSA-N 297.380 0.545 0 50 CCAA CCc1cc(NC(=O)N(C)CC2(O)CCOCC2)n(C)n1 331309599 XYSAHNDRJVQOSH-UHFFFAOYSA-N 296.371 0.988 0 50 CCAA COC[C@@H]1CN(C(=O)c2cnn(C)c2)CC(C)(C)O1 285441559 IUMYZPXKGLUMST-NSHDSACASA-N 267.329 0.686 0 50 CCAA O=[S@@](O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 125975586 LMRPZCZUPVEGJN-UHFFFAOYSA-N 291.350 0.288 0 50 CCAA CC1(C)CCCN1CCNS(=O)(=O)C1COC1 333053548 HCPOTOFCTFLHKO-UHFFFAOYSA-N 262.375 0.179 0 50 CCAA CCNCCNS(=O)(=O)c1ccc2c(c1)OCO2 237024835 IHXKLFJVWPCMOH-UHFFFAOYSA-N 272.326 0.303 0 50 CCAA CC(=O)Nc1ccc(F)c(C(=O)N[C@@H](C)C(=O)O)c1 237588006 KPLBHVUERKFBPF-LURJTMIESA-N 268.244 0.987 0 50 CCAA Cc1cccc2nc(C(=O)NCc3nnn[nH]3)cn12 44928220 BRJIEIKXMIJICX-UHFFFAOYSA-N 257.257 0.086 0 50 CCAA C[C@H](C(N)=O)N1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1 241447101 NREPNRHGTLEVEN-BYCMXARLSA-N 289.379 0.136 0 50 CCAA C[C@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)OCO3)C(=O)O1 253430044 PKSXOFANHXJVQZ-CBAPKCEASA-N 299.304 0.398 0 50 CCAA CCN1C[C@H](C)[C@H](NS(=O)(=O)C[C@H]2CCCO2)C1 257366097 IYGRRVGCYPPUMH-QJPTWQEYSA-N 276.402 0.425 0 50 CCAA C[C@@H](CO)N1CCCN(C(=O)Cc2ccncc2)CC1 364208935 ASHRZNLQQQGBOA-ZDUSSCGKSA-N 277.368 0.539 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCO[C@@H](C(C)C)C1 490733702 PBDRMEJOZQHFKT-GFCCVEGCSA-N 268.357 0.952 0 50 CCAA O=C(NCCCn1ccnn1)[C@@H]1Cc2ccccc2O1 182932691 AEKKUXRZJOCMAJ-ZDUSSCGKSA-N 272.308 0.788 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)NCCCn2ccnn2)n1 182953717 RVMAEYRSZUPPQX-GFCCVEGCSA-N 276.344 0.859 0 50 CCAA O=C(O)[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCN1 71747993 WJKUFBDSFUYJKE-CYBMUJFWSA-N 287.319 0.595 0 50 CCAA CN1C(N)=NC(=O)/C1=C/c1ccc(S(C)(=O)=O)cc1 45789154 JJSLPRYNYXGJHV-YFHOEESVSA-N 279.321 0.218 0 50 CCAA in-vitro COc1cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)nn1C 292576496 PENYCOHODNEIGX-AWEZNQCLSA-N 278.356 0.597 0 50 CCAA O=C(c1nc2ccccc2s1)N1CCNC[C@H](O)C1 97660498 HVVBRLWWHFXBRF-VIFPVBQESA-N 277.349 0.703 0 50 CCAA CNc1ncc(C(=O)N2CC[C@@]3(CCCNC3=O)C2)cn1 91745685 XHZBBWDHCOGUGV-AWEZNQCLSA-N 289.339 0.261 0 50 CCAA CSc1ccccc1[C@@H](C(=O)O)N1CCNC(=O)C1 95384710 PAJOZXUURIZDQO-LBPRGKRZSA-N 280.349 0.966 0 50 CCAA COC(=O)[C@H]1C[C@@H](C(=O)OC)C[C@@H](C(=O)OC)C1 247871718 ZZNOMLSSCRBRJS-AYMMMOKOSA-N 258.270 0.538 0 50 CCAA COCCN1CC[C@H](CNC(=O)c2cn[nH]c2)C1 252502615 URQCFPSHWBTCOI-SNVBAGLBSA-N 252.318 0.108 0 50 CCAA CC(C)c1nc(C(=O)NCc2nc(N)n[nH]2)cs1 534651681 IWIFIVZZFJVBJF-UHFFFAOYSA-N 266.330 0.897 0 50 CCAA CC[C@H](NC(=O)CCc1cnn(C)c1)c1ncnn1C 534663260 CISXDMAKJLNNLR-NSHDSACASA-N 276.344 0.749 0 50 CCAA O=C(Cc1ccc(CO)cc1)NCCc1ncc[nH]1 534667437 OJEYZCQPJUIOAP-UHFFFAOYSA-N 259.309 0.803 0 50 CCAA CN1CCCN(CC(=O)NCC[C@@H]2CCCOC2)CC1 534574416 FJPIBNWYYWDLBH-AWEZNQCLSA-N 283.416 0.557 0 50 CCAA CN1C[C@H](C(=O)N2CCOc3ccccc3C2)CC1=O 618262795 YCEBEHHIORVXOC-GFCCVEGCSA-N 274.320 0.886 0 50 CCAA Cc1cc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)cnn1 630131570 RFOAIQUPDFUETL-GFCCVEGCSA-N 293.323 0.881 0 50 CCAA OCCN1CCN(Cc2ccc3c(c2)CNCCO3)CC1 299781310 RFVHTSZHGGKZEW-UHFFFAOYSA-N 291.395 0.279 0 50 CCAA Cc1c(F)cccc1NC(=O)NCCc1n[nH]c(=O)n1C 299775282 JKQAHDBUJUUHLD-UHFFFAOYSA-N 293.302 0.920 0 50 CCAA CCCS(=O)(=O)N1CCOC[C@@H](CN(C)C)C1 822992435 PJPNYPUHTBONHE-NSHDSACASA-N 264.391 0.236 0 50 CCAA CC(C)CN1CCN(C(=O)c2cncn2C)C[C@@H]1CCO 584903659 ABUVVZPEPIMAQY-ZDUSSCGKSA-N 294.399 0.585 0 50 CCAA CCNC(=O)N1CCC(NC(=O)[C@@H]2CCCCN2C)CC1 670472533 DVKUTLNAJLOSIT-ZDUSSCGKSA-N 296.415 0.781 0 50 CCAA CCc1nnc(CN(C)S(=O)(=O)c2cnn(C)c2)o1 670459583 WMHNPPOYFYQTLF-UHFFFAOYSA-N 285.329 0.186 0 50 CCAA CSC1CCN(C(=O)C(=O)N2C[C@@H](N)C3(CC3)C2)CC1 1875269549 PFOGIOQRAJKROQ-LLVKDONJSA-N 297.424 0.290 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)C1CC(n2ccnc2)C1 1875332673 DWYGOKMATBEQAE-UHFFFAOYSA-N 276.300 0.017 0 50 CCAA CC(C)[C@H]1CN(S(=O)(=O)C2CC2)C[C@@H]1C(=O)O 1565510564 HDPQVIRUNPXWCP-ZJUUUORDSA-N 261.343 0.767 0 50 CCAA COc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OC)cn1 1565529202 DZBCWIZLALESRI-QWRGUYRKSA-N 266.297 0.624 0 50 CCAA CCCN1C[C@@H](NCc2nccn2CCOC)CC1=O 952967110 LWRZNDHPAUVZJB-LBPRGKRZSA-N 280.372 0.630 0 50 CCAA Cc1cccc(NC(=O)CC(=O)N2CC(O)C2)c1C 952869219 GKIJABTXCLYCQQ-UHFFFAOYSA-N 262.309 0.835 0 50 CCAA CCN1CCCC[C@@H]1CNc1cc2nncn2c(N)n1 952984176 OQXXSWKCHKZMNA-SNVBAGLBSA-N 275.360 0.993 0 50 CCAA CN1CCO[C@@H]2CN(Cc3cc(-c4ccccn4)n[nH]3)C[C@@H]21 1776002673 JLOGQOGDHKLUHX-JKSUJKDBSA-N 299.378 0.987 0 50 CCAA COc1ccc2c(c1)C[C@H](C(=O)NCC(=O)O)CO2 269160712 XTRUOWNQJXJLKW-VIFPVBQESA-N 265.265 0.447 0 50 CCAA COc1cc(C(=O)NC[C@@H](O)CO)cc(Cl)c1O 1191148690 PUKLOMLNFFGJEX-SSDOTTSWSA-N 275.688 0.137 0 50 CCAA Cc1nsc(N2CCC[C@H]2CS(N)(=O)=O)n1 408155737 TYEBZNZODFFLEM-ZETCQYMHSA-N 262.360 0.104 0 50 CCAA CC(C)[C@@H](C(=O)N1CCO[C@H]([C@@H](C)O)C1)N(C)C 408472892 XRLLKDYIKOTYAS-WOPDTQHZSA-N 258.362 0.181 0 50 CCAA CC1CCN(C(=O)CS(=O)(=O)[C@@H](C)[C@H](C)O)CC1 172888503 NNNXORXFSJGJJW-QWRGUYRKSA-N 277.386 0.429 0 50 CCAA COc1ccc(CN2CCO[C@H](Cn3ccnn3)C2)cn1 639861218 PUAUWGGBEDEBSZ-ZDUSSCGKSA-N 289.339 0.583 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)Nc1ccn(CCC(N)=O)n1 191897944 XBQCHUUQEQDAMC-ZJUUUORDSA-N 280.328 0.512 0 50 CCAA COc1ccc2c(c1)OC[C@H]2CC(=O)N[C@@H]1COC[C@H]1O 578730374 WWTDHLOKYKUVMX-OASPWFOLSA-N 293.319 0.437 0 50 CCAA CCN(CCn1cccn1)C(=O)C1(O)CCN(C)CC1 1182034992 XUMVQOKJKJENIU-UHFFFAOYSA-N 280.372 0.188 0 50 CCAA Cc1cc(C)n(C2CN([C@@H](C)CN(C)CCO)C2)n1 1506397309 TYBRMTBJICCLLY-ZDUSSCGKSA-N 266.389 0.669 0 50 CCAA CCN1C[C@@H](CN(C)C(=O)c2ncc[nH]2)CC1=O 1506423606 YMNJYKBBFXEPLP-SECBINFHSA-N 250.302 0.350 0 50 CCAA COC(=O)[C@@H](NC(=O)c1nc(Cl)n(C)n1)C(C)C 1857684935 KQEUKESNSOYIOF-LURJTMIESA-N 274.708 0.396 0 50 CCAA COCCN1CC[C@H](CN(C)CC(=O)N2CCCCC2)C1 1529194780 COHQMAWNXQGRFD-OAHLLOKOSA-N 297.443 0.899 0 50 CCAA COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1c(C)noc1C 225454765 AEEXXMACJRUQQZ-RYUDHWBXSA-N 268.313 0.790 0 50 CCAA C[C@@H]1CNCCN1C(=O)CN(C)Cc1ccccc1 124322946 LJYDBDNGZCMAMZ-CYBMUJFWSA-N 261.369 0.939 0 50 CCAA O=C(NCCc1ccccc1O)[C@H]1CCS(=O)(=O)C1 330589637 NLJWCYDKXIYBPH-NSHDSACASA-N 283.349 0.486 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)CC2(O)CCCCC2)C1 345528189 AKBVVSNNGFKMNM-NWDGAFQWSA-N 271.357 0.680 0 50 CCAA COCCNC(=O)CCNS(=O)(=O)c1ccccc1 16651932 QTNCMTWGIHFBDJ-UHFFFAOYSA-N 286.353 0.118 0 50 CCAA O=c1ccc(O)nn1CN1CCN(c2ccccc2)CC1 19853258 PDDLMHBLAKGCLD-UHFFFAOYSA-N 286.335 0.729 0 50 CCAA CN[C@H](C)c1cn(CC(=O)N2CCOC[C@@H]2C2CC2)nn1 641156269 PGTAWBQSGMXIJH-ZWNOBZJWSA-N 293.371 0.196 0 50 CCAA C[C@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)CCN1 237536850 KLLHELJJZDTYDN-NSHDSACASA-N 271.324 0.701 0 50 CCAA Nc1nccnc1C(=O)N(CC(=O)O)Cc1ccccc1 238057097 YCCQGEDCNYKFRY-UHFFFAOYSA-N 286.291 0.786 0 50 CCAA C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)COC[C@H]1CCCO1 585125570 XJBRFDMMUFODNG-LPWJVIDDSA-N 298.383 0.683 0 50 CCAA Cc1nonc1CN[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 818415028 FKQBLBQLFZLEQU-LOWVWBTDSA-N 266.345 0.455 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)O)O[C@@H]2C1 1857783888 ITDXNVAQVFVJRQ-YIZRAAEISA-N 273.285 0.474 0 50 CCAA COCc1nc(C(=O)N2CCNC(=O)C2(C)C)cs1 264191751 RVWIQPLHQIOUGM-UHFFFAOYSA-N 283.353 0.640 0 50 CCAA O=C(N[C@@]1(CO)CCOC1)[C@@H]1Cc2ccccc2O1 182892050 AGJFLUIMHWEDRA-GXTWGEPZSA-N 263.293 0.258 0 50 CCAA CCc1onc(C)c1C(=O)N1C[C@@H](C)O[C@@H](CO)C1 187885315 URVKIZWBGPGXPP-PSASIEDQSA-N 268.313 0.767 0 50 CCAA CC(C)c1nnc(CN2CCN(C)S2(=O)=O)s1 530170210 QVYJVEZWBCMEEW-UHFFFAOYSA-N 276.387 0.654 0 50 CCAA CSCC[C@H](NC(=O)c1cnc(N)s1)C(=O)O 426612230 CXJZVNBODOQKHC-YFKPBYRVSA-N 275.355 0.661 0 50 CCAA CCc1nnc(CN2CCC[C@@]2(C)C(=O)O)n1C 652480391 DMOZYIPQSAUZRI-LBPRGKRZSA-N 252.318 0.817 0 50 CCAA O=C(NCCCc1nn[nH]n1)c1cc2n(c1)CCCC2 2325806968 QQBKXKRGBKCDTF-UHFFFAOYSA-N 274.328 0.700 0 50 CCAA CNC(=O)C1(c2ccc(S(N)(=O)=O)cc2)CC1 2325817818 CNBBLHDLXOHLBD-UHFFFAOYSA-N 254.311 0.112 0 50 CCAA C[C@H]1CC[C@H](C)N1CCN1CCN(C(=O)[C@@H](C)N)CC1 237450071 ZOUJTTOHTCIQMB-MELADBBJSA-N 282.432 0.351 0 50 CCAA O=C(CCn1c(=O)oc2ccccc21)N1CCOCC1 245764 ZUZHMOHQFQAXCP-UHFFFAOYSA-N 276.292 0.843 0 50 CCAA O=C(CCc1nc(O)n[nH]1)NCCOc1ccc(F)cc1 2356146524 JVNHMNROXDTDKN-UHFFFAOYSA-N 294.286 0.777 0 50 CCAA CC(C)(C)N(CCO)C(=O)C(=O)N(CCO)C(C)(C)C 2727358 RCNUOUDDPAZZJV-UHFFFAOYSA-N 288.388 0.225 0 50 CCAA CC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 6698424 JJQDXVLJMOOGNY-QWRGUYRKSA-N 268.357 0.881 0 50 CCAA CCCCOC(=O)CCNc1nnc(O)nc1O 8772841 BSLBQWMCQAHUQQ-UHFFFAOYSA-N 256.262 0.428 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)NCC(F)(F)CO 346549427 BUUUHKRNLCYHIT-RKDXNWHRSA-N 251.273 0.935 0 50 CCAA Cc1nonc1C(=O)N(C)CCCNC(=O)C1CCC1 225442979 ZAMLUFHLGNMPCF-UHFFFAOYSA-N 280.328 0.756 0 50 CCAA Cc1ccnc(N[C@H]2CCCN(CCO)C2=O)n1 133192194 JYEBMTWQXGCEIA-JTQLQIEISA-N 250.302 0.180 0 50 CCAA COc1ccc(NC(=O)CN2CCOCC2)c(OC)c1 20247466 OMKLTOYLZFEUQJ-UHFFFAOYSA-N 280.324 0.975 0 50 CCAA CC(C)c1nc(=NC[C@@H]2CCCCS2(=O)=O)o[nH]1 329631053 ICDNEDKTWXVAFW-VIFPVBQESA-N 273.358 0.994 0 50 CCAA Cn1ccc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1 331660040 SFFSUIOBWJMCBI-DYEKYZERSA-N 291.351 0.581 0 50 CCAA O=C1CCCN1C[C@H](O)CN1CCC[C@@H](c2ccn[nH]2)C1 229899147 UNIJUVZWDRBBKV-CHWSQXEVSA-N 292.383 0.572 0 50 CCAA CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc(O)c(OC)c1 67726188 AVXFQJKHGGDGCA-SECBINFHSA-N 280.324 0.997 0 50 CCAA O=C(NCCc1nc2ccccc2[nH]1)C1(O)CCOCC1 331953215 OAFLLRDJFKHXSA-UHFFFAOYSA-N 289.335 0.763 0 50 CCAA CN(CC(=O)N1CCOCC1)Cc1c(Cl)cnn1C 170602975 VAWGFIHXPWYRSB-UHFFFAOYSA-N 286.763 0.364 0 50 CCAA CO[C@H](C)CS(=O)(=O)N1[C@H]2CCNC[C@H]1CC2 262350071 UIIQUPCTJYSUJE-GMTAPVOTSA-N 262.375 0.177 0 50 CCAA C[C@H]1Cc2cccc3c(=O)c(C(=O)NCCO)cn1c23 33089065 ZUENZPBWHISXSC-VIFPVBQESA-N 272.304 0.841 0 50 CCAA COCC(COC)N1C(=O)[C@@H]2[C@@H]3CCC[C@@H]3CN2C1=O 333926146 VESVPYAVADJUBJ-JLLWLGSASA-N 282.340 0.711 0 50 CCAA O=C(Cn1cn[nH]c1=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 156353234 YLALRIIYZMLXQV-OUCADQQQSA-N 284.319 0.274 0 50 CCAA CN(CC(=O)NCCc1nncn1C)Cc1cccnc1 220694441 KEUOJESDNBFCLB-UHFFFAOYSA-N 288.355 0.001 0 50 CCAA CCCCN1CCN(C(=O)c2cnc[nH]2)CC1=O 220027661 KQFWKTUUVOYFGJ-UHFFFAOYSA-N 250.302 0.494 0 50 CCAA CCc1noc(CNC(=O)[C@@H](O)CCSC)n1 220047489 PNCDQAAJKCFEEP-ZETCQYMHSA-N 259.331 0.362 0 50 CCAA Nc1nc(NCCCn2ccnn2)cc(C2CC(O)C2)n1 223029158 QCAIFJUBNQCQGV-UHFFFAOYSA-N 289.343 0.391 0 50 CCAA CO[C@H]1CN(C(=O)NCCc2cccc(C)n2)C[C@H]1OC 281575335 MSBGXPYHWOSURK-OKILXGFUSA-N 293.367 0.988 0 50 CCAA Cn1ncnc1CCNS(=O)(=O)N1CCCCCC1 88783277 FKNCSGQIBKFDKQ-UHFFFAOYSA-N 287.389 0.068 0 50 CCAA Nc1nnc(CNC(=O)C[C@H]2CCCOC2)s1 426734598 ZXEYIBZGAQNGPM-SSDOTTSWSA-N 256.331 0.553 0 50 CCAA NC(=O)N1CCC[C@H](c2nc(-c3cccnn3)no2)C1 91486760 GLPNCOXEWBEOMH-QMMMGPOBSA-N 274.284 0.785 0 50 CCAA Cc1cnc(CN(C)Cc2cc(=O)n3[nH]cnc3n2)[nH]1 334159663 BJWFTLMYCCVGMR-UHFFFAOYSA-N 273.300 0.081 0 50 CCAA COCCCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 176483877 YLKQREVUDCHEPB-WDEREUQCSA-N 255.362 0.947 0 50 CCAA O=C(Nc1ccc(F)nc1)N1CCS(=O)(=O)CC1 96149908 KLIGZHUFSJFRET-UHFFFAOYSA-N 273.289 0.483 0 50 CCAA CC[C@@H](C(=O)NCCN1CCOC1=O)n1cccn1 91621510 OKFNWKIULYQDRZ-JTQLQIEISA-N 266.301 0.403 0 50 CCAA CN[C@@H]1CCCN(C(=O)c2ncncc2Cl)C1 178594784 VPWNESLYKMBDKJ-MRVPVSSYSA-N 254.721 0.954 0 50 CCAA CNC(=O)C(C)(C)N(C)Cc1cccc(OCC(N)=O)c1 244852622 UVVRAMJCHUYGPU-UHFFFAOYSA-N 293.367 0.507 0 50 CCAA CN(C)CC(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 244794859 QVEVUQQCVPOQHP-MJVIPROJSA-N 263.341 0.571 0 50 CCAA O=C(O)c1c(-n2cnnn2)sc2c1CCOC2 252509727 YUDNRTWCCFDKNN-UHFFFAOYSA-N 252.255 0.495 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@@H]3[C@H]4[C@H]5[C@H]([C@H]2[C@@]34F)[C@H]15 254669507 SIQCAIIBAJDPFO-VUNVRMNVSA-N 297.289 0.740 0 50 CCAA CCN(CCn1nc(C)cc1C)[C@H]1COC[C@@H]1O 252499159 RWIPGVJFSREZJK-STQMWFEESA-N 253.346 0.582 0 50 CCAA CC1(C(=O)NCC2(CN3CCOCC3)CC2)COC1 534575327 YCICESWZTDDVHS-UHFFFAOYSA-N 268.357 0.252 0 50 CCAA COC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2)CCO1 299746980 BRGMZSWPVHEDNT-RQJABVFESA-N 282.384 0.781 0 50 CCAA C[C@H](OCC1CC1)C(=O)N1CCO[C@H](C(=O)O)C1 299750359 NFDRZKUHJIQEBT-WPRPVWTQSA-N 257.286 0.114 0 50 CCAA Cc1cc(=O)n(CCN(C)Cc2snnc2C)c(O)n1 299784672 JBZXOLMDFZPBID-UHFFFAOYSA-N 295.368 0.549 0 50 CCAA CN1CCC(CNc2nccnc2N(C)C)(N(C)C)CC1 823759411 FZNOKZJCZGBUPY-UHFFFAOYSA-N 292.431 0.981 0 50 CCAA CC(C)C1=NO[C@@H](C(=O)NCCc2cn[nH]c2)C1 827791970 NBIMOSLTQZJBIG-LLVKDONJSA-N 250.302 0.869 0 50 CCAA CCOC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 584889193 HGOCPFDNJHIZCI-JTQLQIEISA-N 283.328 0.002 0 50 CCAA CN1CCOC[C@@H](CNC(=O)COCc2ccccc2)C1 584889849 ZMJJFNQNKHAOMD-HNNXBMFYSA-N 292.379 0.898 0 50 CCAA Cc1cc(C)n(C[C@H](C)NCCc2ncnn2C)n1 670451863 FNNCMAUHIPZODP-NSHDSACASA-N 262.361 0.849 0 50 CCAA C=CC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 1336675392 FUTCSFSMPSHDRS-GFCCVEGCSA-N 274.320 0.969 0 50 CCAA CN(CCn1ccc2ccccc21)C(=O)Cn1[nH]nnc1=N 952977493 VUVHOOJYXWHKHB-UHFFFAOYSA-N 299.338 0.199 0 50 CCAA NC[C@H](O)CNC(=O)[C@H]1C[C@]12CCCc1ccccc12 1548570898 JWBWIZVYUNNKJZ-BJJXKVORSA-N 274.364 0.716 0 50 CCAA O=C1Nc2ccncc2C[C@@H]1NC(=O)[C@@H](F)C(F)(F)F 1548794120 JECXKPYXADUXBG-JGVFFNPUSA-N 291.204 0.961 0 50 CCAA COc1cccc2ncn([C@H]3CCNC[C@@H]3O)c(=O)c12 1565514016 OZTBDHLEFZTTRV-QWRGUYRKSA-N 275.308 0.300 0 50 CCAA CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1C=O 95217959 WKKFDIDBIZFOCP-UHFFFAOYSA-N 271.220 0.369 0 50 CCAA in-vitro CO[C@@]1(CNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)CCOC1 408336036 XVVDEYRARNBTCJ-MHDGFBEUSA-N 269.341 0.866 0 50 CCAA CCN(C[C@H](O)C(F)(F)F)C(=O)/C=C/CN(C)C 275106555 BFTKDBMLQHUHBA-CYNONHLPSA-N 268.279 0.876 0 50 CCAA NC(=O)[C@@H]1CCC[C@@H]1NCCOCC(F)(F)F 170089217 VPHDCUQNSZLQKK-SFYZADRCSA-N 254.252 0.809 0 50 CCAA Cn1cc(NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)nn1 569403955 JZLYUAJPVFPUON-NXEZZACHSA-N 265.317 0.990 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccncc1F 643941515 JCBMRRXFXUOQCV-CYBMUJFWSA-N 281.287 0.327 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)NCCc1ccco1 644273567 VCHPOMDFVIWKOP-GFCCVEGCSA-N 280.324 0.312 0 50 CCAA CN(C(=O)CN1CCCC[C@@H](O)C1=O)c1cccnc1 644359559 PQHFTAMVVXYPHU-GFCCVEGCSA-N 277.324 0.418 0 50 CCAA COCCc1noc(CN[C@@H](C)Cn2cccn2)n1 69370357 NRNMIUSKGKGPPT-JTQLQIEISA-N 265.317 0.633 0 50 CCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)c1ccncc1Cl 659175349 YSZWQGJLRHMLGK-DTWKUNHWSA-N 270.672 0.707 0 50 CCAA CCCCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 195172300 WVLSLWFOOXSDDE-ZDUSSCGKSA-N 281.400 0.942 0 50 CCAA CC(C)(C)n1ncn(CC2(CS(C)(=O)=O)CC2)c1=O 680884568 HLIVFZKNVDBYPA-UHFFFAOYSA-N 287.385 0.625 0 50 CCAA COc1cccc(C[C@@H](NS(C)(=O)=O)C(=O)O)c1 681561798 UBMVZURXVNLEOJ-SNVBAGLBSA-N 273.310 0.240 0 50 CCAA CC[C@@H]1[C@H](CO)CCN1C(=O)c1ccc(C(=O)O)n1C 1605152336 UCKZYUXPASBIMF-VHSXEESVSA-N 280.324 0.956 0 50 CCAA CCC[C@H](C)NS(=O)(=O)C[C@@H]1C[C@@H]1C(=O)OC 1615001870 DQMNWNVNYALOEE-GUBZILKMSA-N 263.359 0.904 0 50 CCAA O=C1CNC(=O)[C@@H](Cc2ccc(OC(F)(F)F)cc2)N1 1615546855 PMGDPDJAOJLTPU-SECBINFHSA-N 288.225 0.742 0 50 CCAA Cc1cc(N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc(C)n1 1506396850 YPYUXDMPYNXMPA-GJZGRUSLSA-N 277.368 0.580 0 50 CCAA CN(C)CCN(Cc1cc(O)nc(O)n1)C[C@H]1CCCO1 1529185930 SZTSBFPBMNYRCQ-GFCCVEGCSA-N 296.371 0.430 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)CC2=CCCC2)CC1 1857688023 PPPGSDBRUKNXKJ-UHFFFAOYSA-N 286.397 0.981 0 50 CCAA COC[C@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H](C)O1 331044456 SQYBEVAHMAYJSF-VXGBXAGGSA-N 267.329 0.454 0 50 CCAA Cc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 19286412 MLSGMPUVRSQCIN-UHFFFAOYSA-N 298.408 0.996 0 50 CCAA O=C(Cc1ccccc1F)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875242922 IIPILQCXXMDHSU-OIMNJJJWSA-N 281.283 0.012 0 50 CCAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cc[nH]n3)CCN12 1875245223 QFENUGWSKYXYAE-NWDGAFQWSA-N 278.356 0.735 0 50 CCAA COCC1(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)CC1 253428967 MEARBCSASSCVDP-NXEZZACHSA-N 263.359 0.388 0 50 CCAA CCCNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 16624035 SPJFKDGLFPSWPE-UHFFFAOYSA-N 272.326 0.482 0 50 CCAA COc1cc(NC(=O)N[C@H](CO)CC2OCCO2)ccn1 952882628 GVJQOMMVHNHDKX-JTQLQIEISA-N 297.311 0.336 0 50 CCAA Cc1nnccc1C(=O)N1CCC(c2nc(O)n[nH]2)CC1 1875266591 PUAHJAWKLQVQOW-UHFFFAOYSA-N 288.311 0.629 0 50 CCAA COc1cc(-c2noc([C@H]3CN(C)C[C@@H](C)O3)n2)ncn1 886085481 RBTRKRVTHOCCDG-PSASIEDQSA-N 291.311 0.927 0 50 CCAA COCc1nc(C)c(C(=O)O[C@H]2CNC(=O)N(C)C2)s1 888099767 WUVALQSIIUSZFF-QMMMGPOBSA-N 299.352 0.778 0 50 CCAA C=CC(=O)N[C@@H]1CCS(=O)(=O)C2(CCOCC2)C1 1776003436 PFBIMZUJMHTZKD-SNVBAGLBSA-N 273.354 0.415 0 50 CCAA CN(C(=O)Cc1cnn(C)c1)C1C[C@@H]2CC[C@H](C1)N2 261846384 PQYQYGSSYWLKLJ-FUNVUKJBSA-N 262.357 0.704 0 50 CCAA CCc1cnc(N)nc1N1CC[C@](O)(CN(C)C)C1 95387349 HHCCGRQBFSZREO-ZDUSSCGKSA-N 265.361 0.124 0 50 CCAA COc1ccccc1C(=O)N1C[C@H](OC)C[C@H]1CO 284988492 MMFNAMBSMYXUTJ-WDEREUQCSA-N 265.309 0.917 0 50 CCAA CN(C(=O)c1cc(C2CC2)on1)[C@@H]1COC[C@H]1O 287395042 RWLSMGBTDYJIIJ-NXEZZACHSA-N 252.270 0.384 0 50 CCAA COc1ncccc1CN1C[C@@H](CO)[C@H](CO)C1 528598232 IBBMQVXRGLBPQQ-RYUDHWBXSA-N 252.314 0.123 0 50 CCAA O=C(NC[C@H]1CNCCO1)c1cncc(C(F)(F)F)c1 423992220 NYIUBRLNVQDLIT-SNVBAGLBSA-N 289.257 0.819 0 50 CCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc2c(n1)CCCN2 2325804771 OMVSWNHMDWVBCZ-VIFPVBQESA-N 293.348 0.480 0 50 CCAA C=CC(=O)N1CCC(n2[nH]cc(C(=O)OCC)c2=N)CC1 2325884334 FPCYRZXGYWYZNY-UHFFFAOYSA-N 292.339 0.822 0 50 CCAA CCOC(=O)CCCNC(=O)c1cncc(O)c1 1888097 ASBBAFJIICIJEZ-UHFFFAOYSA-N 252.270 0.860 0 50 CCAA O=C1COC2(CCN(c3nnc4ccccn34)CC2)CN1 2356154066 HASAVQWDGGGENG-UHFFFAOYSA-N 287.323 0.215 0 50 CCAA COCCNC(=O)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1 10372529 UDWYORWFWWCIFN-SNVBAGLBSA-N 278.308 0.508 0 50 CCAA CC(C)N1CCO[C@H](C(=O)N2CCSCC2)C1 225704498 ZWHZBWKGWIQRCJ-NSHDSACASA-N 258.387 0.671 0 50 CCAA O[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cnc[nH]1 344602647 IJTQQOVAFBAHBX-JHJVBQTASA-N 251.330 0.772 0 50 CCAA CC(C)Oc1cc(N[C@@H]2CCNC2=O)nc(N)n1 65457562 SBUJYJZCDYHFMI-SSDOTTSWSA-N 251.290 0.146 0 50 CCAA CCNc1nc(OC)nc(Oc2ccc(=O)n(C)n2)n1 90495 XZTJRHAQQDEARN-UHFFFAOYSA-N 278.272 0.198 0 50 CCAA CC(=O)N(C[C@@H]1CCCN1Cc1nncn1C)C1CC1 328620819 ADDRAVVRICATIC-ZDUSSCGKSA-N 277.372 0.790 0 50 CCAA Cn1cc([C@@H]2CCCN2C[C@@H](O)CN2CCOCC2)cn1 229814592 ZGAGGOGYXGQUKD-GJZGRUSLSA-N 294.399 0.250 0 50 CCAA C1CC(c2noc(CN3CCOCC3)n2)CCO1 330135530 SPZROOGBGYSZKO-UHFFFAOYSA-N 253.302 0.796 0 50 CCAA O=C(NN1CCCCC1=O)[C@H]1CSCCS1 170655061 DHXPBYCWYVTWLU-MRVPVSSYSA-N 260.384 0.879 0 50 CCAA OCc1ccc2c(c1)CN(C[C@@]1(O)CCNC1)CCO2 77386168 UAOMRSSRNRRQTN-OAHLLOKOSA-N 278.352 0.098 0 50 CCAA CCCc1nnc2sc(CN3CCOCC3)nn12 71745572 YUBZGPXTFZVNRN-UHFFFAOYSA-N 267.358 0.971 0 50 CCAA CC(=O)Oc1cc(=O)n2cccc(OC(C)=O)c2n1 71784332 KWFXYNLTWRDIPQ-UHFFFAOYSA-N 262.221 0.545 0 50 CCAA O=C1C[C@@H](NC(=O)c2cc(F)cc3cccnc23)CN1 336445104 WHKPHXBUAJPNAT-SNVBAGLBSA-N 273.267 0.992 0 50 CCAA CNc1cc(N2CCC[C@H]2CNC(=O)COC)ncn1 173438452 NBONFDCJTNVSML-JTQLQIEISA-N 279.344 0.250 0 50 CCAA CS(=O)(=O)NC1CCN(C(=O)Cc2cccnc2)CC1 223284825 MBAYXQQNVCHNJG-UHFFFAOYSA-N 297.380 0.164 0 50 CCAA Cn1ncc2c(O)nc(N3CCOC(F)(F)C3)nc21 606445669 BSTSAPXTCKIXIY-UHFFFAOYSA-N 271.227 0.498 0 50 CCAA Nc1nc([C@H]2CCOC2)cc(N2CCSCC2)n1 426421008 AYXLOKUFPAQPPO-VIFPVBQESA-N 266.370 1.116 0 50 CCAA COCCc1noc([C@H](C)NC(=O)C(C)(C)NC(C)=O)n1 426428883 QSMIYKKOENGGGK-QMMMGPOBSA-N 298.343 0.350 0 50 CCAA O=C(NCc1cc(-c2ccco2)on1)c1cnn[nH]1 96148472 XAFXOQXTKQYDIF-UHFFFAOYSA-N 259.225 0.983 0 50 CCAA CC(C)c1cc(C(=O)NCC(=O)NCCC(=O)O)no1 95523404 IJBDCLAFLWRCAY-UHFFFAOYSA-N 283.284 0.119 0 50 CCAA O=C(CN1CCC[C@H](O)C1)NCC1(Cn2ccnc2)CC1 230568355 XQIADULFCDGNGF-ZDUSSCGKSA-N 292.383 0.236 0 50 CCAA CC(=O)NCCNC(=O)[C@H](c1ccccc1C)N(C)C 95356110 YGCNVLSBBNJWCA-AWEZNQCLSA-N 277.368 0.850 0 50 CCAA CO[C@H]1CCN(C(=O)c2cnc(C3CC3)nc2N)C1 287967541 YVXPEQKPWFHHQR-VIFPVBQESA-N 262.313 0.797 0 50 CCAA O=C(c1cnc2c(c1)CCC2)N1C[C@@H]2CNC[C@@H]2C1 97655391 ONKDYDWOXRYZFV-BETUJISGSA-N 257.337 0.862 0 50 CCAA O[C@@H]1CCCOC12CCN(CCn1cnnc1)CC2 95390043 GOWLASBQDNPQIQ-GFCCVEGCSA-N 266.345 0.284 0 50 CCAA Cc1nnc(CCNC(=O)CCc2cn[nH]c2)s1 1118911814 XDPVDFHJFMTOQQ-UHFFFAOYSA-N 265.342 0.861 0 50 CCAA COCCN1CC[C@@H](CN(C)Cc2c[nH]cn2)C1 97660668 HONKROSZMFAQMX-LBPRGKRZSA-N 252.362 0.810 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1cccc(N)n1 534645892 MUSRCQXOTWPVTG-RKDXNWHRSA-N 260.297 0.214 0 50 CCAA CC(C)(C)OC(=O)N1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2N 601012593 QMVRDHPPSUKTIG-WUNNTHRKSA-N 254.286 0.247 0 50 CCAA Cc1nc(O)c2c(n1)CN(C(=O)CCCn1cncn1)C2 299791617 HDKDGNLMRGUJGK-UHFFFAOYSA-N 288.311 0.405 0 50 CCAA Cc1nnc(CN2CCC[C@H](c3nnc(CO)n3C)C2)o1 299792364 FNQDYJPWPACHFQ-JTQLQIEISA-N 292.343 0.378 0 50 CCAA Cn1ncnc1CCNC(=O)C[C@H]1CCCOC1 827807424 OTXQLLLCFBSDLR-SNVBAGLBSA-N 252.318 0.291 0 50 CCAA CCc1cc(C(=O)N2C[C@@H](O)C3(CC3)C2)c(C)nn1 547980831 VATLOAFRBVWADG-GFCCVEGCSA-N 261.325 0.944 0 50 CCAA CCNC(=O)N1CCC(N[C@@H]2CCNC(=O)CC2)CC1 670472624 JOPXDQMWTPDAOV-NSHDSACASA-N 282.388 0.439 0 50 CCAA CN1CCC[C@@H](C(=O)NCc2cnc3cnccn23)C1 670457157 RZGIIZMJHKBOOQ-LLVKDONJSA-N 273.340 0.687 0 50 CCAA Cc1cc(CNC(=O)C2(S(C)(=O)=O)CC2)ccn1 1335936990 UDQXPOVGOQWGHO-UHFFFAOYSA-N 268.338 0.583 0 50 CCAA NC(=O)c1ccnc(NCCN2CCC[C@H](CO)C2)c1 952871967 FEXRMYXPKTXHLF-NSHDSACASA-N 278.356 0.297 0 50 CCAA O=C(O)[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 299741430 FWFPQKPPKHPEDR-SNVBAGLBSA-N 288.307 0.755 0 50 CCAA C[C@H](C(=O)N(C)CCN(C)C1CC1)[C@@H]1CCC(=O)N1 408522112 DBDCHRGINTVUKJ-JQWIXIFHSA-N 267.373 0.454 0 50 CCAA COC1(CC(=O)Nc2ncn(CC(=O)N(C)C)n2)CCC1 276648409 NUDDOWOCNCMYBO-UHFFFAOYSA-N 295.343 0.264 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)CCc1ccncn1 643853610 DYCOUPXYVKSNLH-AWEZNQCLSA-N 293.323 0.501 0 50 CCAA CC[C@H]1CN(CCNC(=O)c2cnn3c2CCC3)CCO1 562710053 KBQNTQXNWRAVLW-LBPRGKRZSA-N 292.383 0.670 0 50 CCAA C[C@@H](O)CN1CCN(C(=O)Cc2ccncc2)[C@H](C)C1 194012296 TYLWOBCBHBVPJA-CHWSQXEVSA-N 277.368 0.538 0 50 CCAA O=C(N=c1cc2n([nH]1)CCCC2)c1ccc2c(c1)COB2O 584988830 GICVDSMVZJRLQG-UHFFFAOYSA-N 297.123 0.111 0 50 CCAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)CN1CCOCC1 681913493 ZUNJUXHYZSSZQE-CYBMUJFWSA-N 292.383 0.236 0 50 CCAA C[C@H](C(=O)O)N(C1CC1)S(=O)(=O)Cc1ccon1 1602819749 HBPYLWBVUKOOLI-SSDOTTSWSA-N 274.298 0.442 0 50 CCAA Cc1ccc(NC(=O)N2C[C@@H]3CC[C@]3(N)C2)c(=O)n1C 1615056873 BYFQOLIYIBUCNN-HZMBPMFUSA-N 276.340 0.649 0 50 CCAA COC(C)(C)CN(C)C(=O)[C@H]1NCc2ncncc21 1615616238 YPAQJUMHQINBOE-NSHDSACASA-N 264.329 0.504 0 50 CCAA C[C@H](O)[C@@H](O)CN1C(=O)C[C@](C)(c2ccccc2)C1=O 1616033655 RZGMDEAGCUFMSS-ITDIGPHOSA-N 277.320 0.445 0 50 CCAA O=C(CCn1c(O)nc2ccccc21)N1C[C@@H](O)[C@H](F)C1 1506403977 QXFIDQALSCKPDM-BXKDBHETSA-N 293.298 0.673 0 50 CCAA O=C(c1cncc(Cl)c1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772712638 XFZDMQVWMFXZIM-GHMZBOCLSA-N 282.727 0.408 0 50 CCAA CC(=O)N1CCC[C@@H]1c1nc(C)nn1-c1ccnn1C 1772805468 LPKBVHBYYUOCSQ-LLVKDONJSA-N 274.328 0.993 0 50 CCAA CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccncc2)C1 16248507 KYDZXWJRKHQSAG-LBPRGKRZSA-N 297.380 0.369 0 50 CCAA COC(=O)c1ccc(/C=c2\sc3ncnn3c2=O)cc1 16265320 STACNHBMSMLHQT-POHAHGRESA-N 287.300 0.485 0 50 CCAA COc1ccsc1S(=O)(=O)N1CCN[C@H](C)C1 187156337 RVBIHKXOIPVVQC-MRVPVSSYSA-N 276.383 0.739 0 50 CCAA O=C(c1cccc2nnnn12)N1CC[C@@H]2NCCC[C@@H]2C1 1857682382 OVNJJTRWJCYRCO-MNOVXSKESA-N 286.339 0.338 0 50 CCAA Cc1cncc(N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)n1 1857684756 BZAQBRJQGLJSCD-BXUZGUMPSA-N 276.340 0.252 0 50 CCAA Cc1ncnc(C)c1C(=O)NC[C@@H]1Cc2nnc(C)n2C1 1857686723 DKLPOTUUXBECDN-NSHDSACASA-N 286.339 0.596 0 50 CCAA CCS(=O)(=O)N[C@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857724100 LZGAWXUKKJUSKB-SDDRHHMPSA-N 276.402 0.423 0 50 CCAA O=C(c1cc2cccnc2[nH]1)N1CCOC[C@H]1CO 912414017 JRFGPXVWFJETEI-SNVBAGLBSA-N 261.281 0.396 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)N1CCC(n2cnnc2O)CC1 536101816 CLJJUIQCLBCWET-GHMZBOCLSA-N 280.328 0.572 0 50 CCAA CN(C)c1nc(N)cc(N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)n1 248128818 PTFNEEHQFBVHEQ-ZJUUUORDSA-N 291.355 0.672 0 50 CCAA COc1ccc(C(=O)NCCN2CCNCC2)cc1 19680754 NCNLEUREKPXHPR-UHFFFAOYSA-N 263.341 0.330 0 50 CCAA in-vitro CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CC(C)(C)OC1(C)C 365486505 QBRNDJIFCVNWKR-QJPTWQEYSA-N 298.383 0.430 0 50 CCAA C[C@@]12CN(c3ccc(C(=O)O)cn3)C[C@@]1(C)C(=O)NC2=O 900989643 AYWLLNXKHBUSET-KBPBESRZSA-N 289.291 0.269 0 50 CCAA CC(=O)c1cc(CN2C[C@@H]3COC[C@H](C2)N(C)C3)n(C)c1 1704313854 LCJNTHJOZODOQY-CJNGLKHVSA-N 291.395 0.990 0 50 CCAA CCn1nc(C)c(CN2C[C@H](N3CCOCC3)C[C@@H]2C)n1 824370696 NXSCJCLSYIXZIV-GXTWGEPZSA-N 293.415 0.901 0 50 CCAA Cc1cc(C(=O)N2CC(n3cncn3)C2)cc(C=O)c1O 952877181 MFGWGKDSKHCIPX-UHFFFAOYSA-N 286.291 0.802 0 50 CCAA CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(N)nc1 952995815 ZWQXUOKSYILLQG-AWEZNQCLSA-N 281.356 0.846 0 50 CCAA COc1nscc1CN(C)CCC(=O)N(C)OC 952995234 FPCYBWYQZBURIA-UHFFFAOYSA-N 273.358 0.993 0 50 CCAA C=CC(=O)N[C@@H]1CCC[C@H]1N1CCCN(C)CC1 1875365967 CFZOKGCEKLNUPL-CHWSQXEVSA-N 251.374 0.847 0 50 CCAA C[C@@]1(Br)C[C@H]1C(=O)N1CC2CC1(C(N)=O)C2 888100418 LMBPGSWXYHQQQH-CERUWPIZSA-N 287.157 0.636 0 50 CCAA Cc1n[nH]c(C)c1CN1CCOC[C@@H]1CC(=O)O 97655400 UISCQKBBGKMPLP-JTQLQIEISA-N 253.302 0.702 0 50 CCAA COC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@H]1O2 353062583 KITIELFSVBIDKM-MVCUBJFGSA-N 253.298 0.622 0 50 CCAA O=C(NC[C@H]1CCO[C@H]1C(=O)O)[C@@H]1C[C@@H]2C[C@@H]2C1 715129404 RCCXJKGWJNORBO-SAVGLBRCSA-N 253.298 0.638 0 50 CCAA O=C(O)[C@H]1[C@H]2CN(C(=O)C3(n4cccn4)CCC3)CC[C@H]21 2325808308 OQXRNNJYOJQIRJ-GRYCIOLGSA-N 289.335 0.941 0 50 CCAA Cc1nc(-n2cc(F)c(=O)[nH]c2=O)c2nc(C)oc2n1 229403 COUXRZIGMBMWOY-UHFFFAOYSA-N 277.215 0.213 0 50 CCAA COc1ccccc1CC(=O)Nc1c[nH]c(=O)[nH]c1=O 286279 FUYGFKAMQYZWFG-UHFFFAOYSA-N 275.264 0.253 0 50 CCAA Cn1nc(CC(=O)N=c2cccn[nH]2)c2ccccc2c1=O 346066637 JXMFUTOKZOWSJG-UHFFFAOYSA-N 295.302 0.327 0 50 CCAA Cc1nn(C)cc1C(=O)N1CCCC[C@H]1C(N)=O 113147094 GZIXKSUPRSPPIB-JTQLQIEISA-N 250.302 0.209 0 50 CCAA C[C@]12C(=O)N(NC(=O)c3ccncc3)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 101230185 YXVQIKWDKKZBPR-PVTKRXDGSA-N 297.314 0.924 0 50 CCAA C[C@H](NC(=O)[C@H]1CCC[C@@H]1CN)C(=O)N1CCCC1 135364618 CCJGRSLMJBTTLW-TUAOUCFPSA-N 267.373 0.489 0 50 CCAA CN(C)S(=O)(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 247986710 ZDEBNQZASPDBNP-AEJSXWLSSA-N 276.358 0.511 0 50 CCAA O=C(NC[C@H]1CCN(C(CO)CO)C1)NC1CCCCC1 67675829 CDBDPWVERVEBBW-GFCCVEGCSA-N 299.415 0.293 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cc(C)c(OC)cc1C 67678573 ONIMFMZTZBDFSP-KGLIPLIRSA-N 291.395 0.960 0 50 CCAA CC(C)Cn1ccnc1CN1C(=O)[C@@H]2COCCN2C1=O 348905324 CPOZGMHMGPMEKK-NSHDSACASA-N 292.339 0.702 0 50 CCAA CCn1nc(C)c(C(=O)N[C@@H]2C=C[C@H](CO)C2)n1 815822591 LIGRUGZGERCKRN-VHSXEESVSA-N 250.302 0.273 0 50 CCAA O=C(NCCn1cncn1)c1nc2ccccc2[nH]1 216486034 HZGPSIMVTQKUIS-UHFFFAOYSA-N 256.269 0.584 0 50 CCAA Cc1nc(N2CCCC2)nc(N2CCOC[C@@H](O)C2)c1C 77303922 BHCKZQFDIPHXCQ-ZDUSSCGKSA-N 292.383 0.891 0 50 CCAA CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2cnc[nH]2)O1 354369594 UKLSJADIYPTJMT-MNOVXSKESA-N 295.339 0.915 0 50 CCAA Cc1n[nH]c(C(=O)N[C@@H]2CCOC[C@H]2O)c1Cl 219219222 FPVSYUZXOJDBAH-RNFRBKRXSA-N 259.693 0.251 0 50 CCAA CC(C)=C(F)C(=O)N1CCOC[C@@H]1c1ncnn1C 368499694 RQNPEVKRDDLOJC-SECBINFHSA-N 268.292 0.978 0 50 CCAA CNS(=O)(=O)c1ccc(N2CCCC[C@@H](CO)C2)nc1 371064074 NTYVNWGGDUWJLJ-LLVKDONJSA-N 299.396 0.589 0 50 CCAA CC(=O)C[C@@H](NS(=O)(=O)CCC(C)C)C(=O)O 170616528 UGIWROUORDPKNW-SECBINFHSA-N 265.331 0.384 0 50 CCAA Cn1cc(S(=O)(=O)N[C@H]2CCCNC2)nc1Cl 237805090 MKXUMNVUAPCUII-ZETCQYMHSA-N 278.765 0.104 0 50 CCAA CN1C(=O)[C@@H](Cc2nc(C3CCOCC3)n[nH]2)N(C)C1=O 97527168 PQTZTJDUTLUERH-SECBINFHSA-N 293.327 0.134 0 50 CCAA COc1cccn(CC(=O)N(C)C[C@@H]2CCOC2)c1=O 95500621 FMPWABQIDILOBQ-NSHDSACASA-N 280.324 0.352 0 50 CCAA O=C(c1cc(O)no1)N1CCC2(CCNC[C@H]2CO)CC1 97527305 KRNIAIUKJACSKK-JTQLQIEISA-N 295.339 0.204 0 50 CCAA OCc1cn([C@H]2CCCN(c3ncnc4[nH]ccc34)C2)nn1 292637864 ASNUGOSBOWLSJV-NSHDSACASA-N 299.338 0.883 0 50 CCAA CS(=O)(=O)N1CCN(Cc2ccc3cn[nH]c3c2)CC1 179784496 NSLQYYDUOHSWEV-UHFFFAOYSA-N 294.380 0.640 0 50 CCAA COCCN(CC(=O)O)C(=O)CC[C@@H]1CC[C@@H](C)O1 299752403 TZVBQNXRERYLSQ-MNOVXSKESA-N 273.329 0.894 0 50 CCAA C[C@H](CN1CCc2ccccc2C1)NCc1nc(N)n[nH]1 534575988 GJDZMBCPUGDTKP-LLVKDONJSA-N 286.383 0.923 0 50 CCAA Nc1n[nH]c(CNC(=O)[C@@H]2CCc3ccccc32)n1 534584104 RSONOWSHBQSVMD-SNVBAGLBSA-N 257.297 0.733 0 50 CCAA COc1ccnc(CN2CCN3C(=O)OC[C@@H]3C2)c1OC 375466743 GGWXUVAIJYBUNO-JTQLQIEISA-N 293.323 0.735 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)CN1CCCCCC1 824504767 NGGHMIZXKZIULW-STQMWFEESA-N 269.389 0.308 0 50 CCAA CC(=O)NC(C)(C)C[C@@H](C)NCC1(O)CCN(C)CC1 584899748 LRKRTLLLXRWKBZ-GFCCVEGCSA-N 285.432 0.726 0 50 CCAA Cc1cc(C(=O)N2C[C@@H]3C[C@H]3C2)nc2nc(O)nc(O)c12 628508960 DCRUAMGBSORKES-YUMQZZPRSA-N 286.291 0.836 0 50 CCAA CCN(C)S(=O)(=O)N(C)C[C@@H]1CCN(CCOC)C1 824412366 IROIOVIZEVFBLR-LBPRGKRZSA-N 293.433 0.083 0 50 CCAA CN(C)C[C@H]1[C@@H]2CN(Cc3cnn4cccnc34)C[C@H]12 584894268 WNZJKPMWUSPCDP-ZSOGYDGISA-N 271.368 0.969 0 50 CCAA CNC(=O)c1cccnc1NCCN1CCC(CO)CC1 584902840 ZTXPHIBCIZOELE-UHFFFAOYSA-N 292.383 0.557 0 50 CCAA CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1ccc[nH]1 584895384 QOKBQOJMVPEIFT-LLVKDONJSA-N 299.396 0.949 0 50 CCAA CN(CC(=O)N1CCN(C)[C@@H](CCO)C1)C1CCCC1 584897942 MEJIZSDYVPMVRG-AWEZNQCLSA-N 283.416 0.386 0 50 CCAA O=C(C[C@@H]1C=CCC1)N1CCN(c2nc[nH]n2)CC1 1331848699 DBNBILBTGJTJIH-LLVKDONJSA-N 261.329 0.810 0 50 CCAA COC[C@H]1[C@@H](NS(=O)(=O)CC(C)C)[C@H]2CCO[C@H]21 1565511897 QFKGSISIXREXKP-NOOOWODRSA-N 277.386 0.612 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)Cn2ncc3ccccc32)C1 269192928 OUKQDNDPVVBCHH-LLVKDONJSA-N 273.292 0.969 0 50 CCAA Cc1ccsc1CCNC(=O)[C@H]1CNCCO1 97425507 YZPWGIQGRUHTPE-SNVBAGLBSA-N 254.355 0.704 0 50 CCAA CO[C@@]1(C)C[C@H](N(C)C(=O)CCc2nn[nH]n2)C1(C)C 631571109 YMDICMCRKMXORL-ZANVPECISA-N 281.360 0.794 0 50 CCAA CC(C)N(C(=O)CN1CCC[C@@H](NCCO)C1)C(C)C 708536139 VDRGFFKMIDWTSM-CQSZACIVSA-N 285.432 0.678 0 50 CCAA CC(C)n1ccc(Cn2cnc3c(nnn3C)c2=O)n1 647135965 PDUBIFNCPMPAQO-UHFFFAOYSA-N 273.300 0.351 0 50 CCAA C[C@@](N)(C(=O)NCC[C@H]1CCNC1)c1ccccc1 195232230 GLEVBQAHLJRXKB-DOMZBBRYSA-N 261.369 0.976 0 50 CCAA CCN(C)C(=O)COC(=O)c1nnc(O)c2ccccc12 746569060 HKCOSOVSIDBZOF-UHFFFAOYSA-N 289.291 0.971 0 50 CCAA C=CC(=O)NCCC(=O)N1CCc2ncncc2C1 1335191055 YDCGRZASKQISHK-UHFFFAOYSA-N 260.297 0.054 0 50 CCAA CN(C)c1nccnc1N1CCN(C)[C@@H](CCO)C1 1506409789 SXRKNESASHUHNC-NSHDSACASA-N 265.361 0.045 0 50 CCAA O=C(O)c1nccnc1NCCCN1CCCC[C@@H]1CO 1506406933 KMJVZIAYTDQLSB-LLVKDONJSA-N 294.355 0.824 0 50 CCAA COCCOCC(=O)O[C@H](C)C(=O)O[C@H](C)C(C)=O 1501018283 ZKYMRMZNNKZACT-NXEZZACHSA-N 276.285 0.102 0 50 CCAA CC(=O)c1cc(CN(CCO)Cc2ncc[nH]2)n(C)c1 1704328201 LGACQOSRCFNTEV-UHFFFAOYSA-N 276.340 0.945 0 50 CCAA CO[C@@H](C)c1noc(Cn2cnc(C)c(C)c2=O)n1 331060749 BUOSEEJLMMXRLW-VIFPVBQESA-N 264.285 0.999 0 50 CCAA CN1CC[C@@H](C(=O)N2CCC[C@H](C(=O)O)C2)CC1=O 133063409 RVWOYEZCTHRJBL-ZJUUUORDSA-N 268.313 0.178 0 50 CCAA O=C(O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1 82363 IDPYDWSNMOJIBU-WXJAXGNASA-N 274.320 0.975 0 50 CCAA O=C([C@H]1CCCNC1)N1CC[C@@](O)(C(F)(F)F)C1 161818081 DPLRXBSMHYGNNP-WPRPVWTQSA-N 266.263 0.512 0 50 CCAA C[C@H]1CCCN(CCNC(=O)c2cnc(C(N)=O)cn2)C1 1772702861 LXYMDFFJZZLERD-JTQLQIEISA-N 291.355 0.037 0 50 CCAA O=C(c1onc2ncccc12)N1CCC([C@@H](O)CO)CC1 1772703035 YVHMCLDINARYJE-NSHDSACASA-N 291.307 0.428 0 50 CCAA CCc1nc(N2CCCN(C(=O)[C@@H]3CCOC3)CC2)no1 1772805592 QALRNUWRURIQCA-LLVKDONJSA-N 294.355 0.707 0 50 CCAA CCOC(=O)N1CCC(N2CCN(CCO)CC2)CC1 19637387 MMKLTJUNCTUCRZ-UHFFFAOYSA-N 285.388 0.217 0 50 CCAA COc1ccc(B2CC(=O)CN(C)CC(=O)C2)cc1 169810185 JBZFWFDGEPDMSF-UHFFFAOYSA-N 259.114 0.481 0 50 CCAA Cc1nc2ncnn2c(N2CCOCC2)c1Cl 4993537 STIXKPUDMXABAM-UHFFFAOYSA-N 253.693 0.923 0 50 CCAA Cc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@@H](C)N[C@H](C)C1 153480752 UFICIDLRDQLJCQ-HTQZYQBOSA-N 290.323 0.647 0 50 CCAA COCCC[C@@]1(CO)CN(CCn2ccnc2)CC[C@H]1O 1875240048 GGYOPWSAPACYNN-CABCVRRESA-N 297.399 0.355 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCCc2c(C)nn(C)c2C)N(C)C1 330550429 XBSVQBBMPHPNJG-JSGCOSHPSA-N 294.399 0.415 0 50 CCAA Cn1nccc1CNC(=O)c1ncoc1C1CCNCC1 912475121 FFLLGKBPPVLTAC-UHFFFAOYSA-N 289.339 0.805 0 50 CCAA CCn1ncnc1CN1C[C@@H]2COC[C@H](C1)N(C)C2 1704313747 JKZNTUJVSDPIIC-NEPJUHHUSA-N 265.361 0.060 0 50 CCAA CCC1(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)COC1 910622143 RTGPHUXRKFKCDE-LOIXOFCESA-N 297.351 0.942 0 50 CCAA O=c1cc(CN(CCO)Cc2cccnc2)[nH]c2ccnn12 1116344567 WBHVQJPPIXCGQO-UHFFFAOYSA-N 299.334 0.412 0 50 CCAA COc1ncccc1CN1CCCC[C@H]1CS(N)(=O)=O 931230768 MXIKKXSNGIXERN-LBPRGKRZSA-N 299.396 0.733 0 50 CCAA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2)CCO1 877870788 FTRNJPREPPFKQM-SNPRPXQTSA-N 290.363 0.618 0 50 CCAA O=C(N[C@]1(c2ncc[nH]2)CCOC1)c1ccncc1F 886094963 IVZLKNWCXRDDPX-CYBMUJFWSA-N 276.271 0.989 0 50 CCAA Cc1cccc2c(CC(=O)NC[C@H](O)CC(=O)O)c[nH]c12 1775991298 JXPUOUIZXAYUCO-LLVKDONJSA-N 290.319 0.971 0 50 CCAA CNC(=O)[C@@H]1CCCCN1Cc1nnc(C)s1 271387607 FMVVCDOORZCTSA-VIFPVBQESA-N 254.359 0.947 0 50 CCAA O=C(Cc1ccc(F)cc1F)N1CCO[C@H]2CNC[C@H]21 299744055 QNUSNWBEZXKCNZ-OLZOCXBDSA-N 282.290 0.707 0 50 CCAA O=C(NCc1ccccc1)[C@]12CNC[C@H]1CCOC2 911896570 PYGGNBCNXGESTH-HIFRSBDPSA-N 260.337 0.929 0 50 CCAA CCN1CCn2c(nnc2C2CCOCC2)C1=O 2100477133 IIORMEWARUTRSX-UHFFFAOYSA-N 250.302 0.648 0 50 CCAA N[C@@H](Cc1cnc[nH]1)C(=O)N1CCc2ccccc2CC1 2100537222 JMVYGVLDLSVBMD-HNNXBMFYSA-N 284.363 0.907 0 50 CCAA CCNC(=O)C(=O)N=c1cc(C2CCCC2)n(C)[nH]1 2325796110 UITMNPYDPUTHCE-UHFFFAOYSA-N 264.329 0.574 0 50 CCAA Cc1cc2n(n1)CCN(C(=O)[C@H]1C[C@](F)(CO)C1)C2 2325805657 ZSQGIINMLQQDPO-GSJFWJNXSA-N 267.304 0.644 0 50 CCAA CN(C)c1ccc(NC(=O)[C@]23CNC[C@H]2CCO3)nc1 888096538 HYOQQPKRLXFJNG-YGRLFVJLSA-N 276.340 0.465 0 50 CCAA Cn1ncnc1NC(=O)N[C@@H](CO)Cc1ccccc1 119999350 PARSMYWCLBPNDU-LLVKDONJSA-N 275.312 0.540 0 50 CCAA O=C1N(CCO)CCC[C@]12CCCN2Cc1cnc[nH]1 2356137297 JGHDYZTYSRXMKR-AWEZNQCLSA-N 278.356 0.359 0 50 CCAA O[C@@H]1CCN(c2nccn3c(-c4cncnc4)cnc23)C1 2356142381 PVMSDJPELKIHPT-LLVKDONJSA-N 282.307 0.757 0 50 CCAA O=C1NC[C@H]2CN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C[C@@H]12 2356146720 RUWYITCTVMXYHC-QWHCGFSZSA-N 296.330 0.895 0 50 CCAA CN1C(=O)C(C2(C(=O)O)CCCCC2)C(=O)N(C)C1=O 2868001 XKPJMLFPUJQKPA-UHFFFAOYSA-N 282.296 0.688 0 50 CCAA O=C1O[C@H](O)C(Br)=C1Br 3882815 PKDBSOOYVOEUQR-VKHMYHEASA-N 257.865 0.863 0 50 CCAA O=C(O)c1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1 4176576 MOJLIMGDPWKZAO-NSHDSACASA-N 269.322 0.662 0 50 CCAA CS(=O)(=O)c1ncc(Br)c(C(=O)O)n1 4228192 UEYGRSDYBWXDKJ-UHFFFAOYSA-N 281.087 0.341 0 50 CCAA C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)CN1CCCC1 225392589 HABWSRIJJNSEDF-VXGBXAGGSA-N 267.373 0.455 0 50 CCAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)CCn1cccn1 67954538 FGTXKQIFVRNVSK-NEPJUHHUSA-N 276.340 0.495 0 50 CCAA Cc1nccn1CCCC(=O)N1CCOC[C@@H](CO)C1 77436940 WVOUTOOJEMDTFO-CYBMUJFWSA-N 281.356 0.439 0 50 CCAA C/C=C/CC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 77376212 SULHLHDRKNSDNR-AAOUONPWSA-N 290.367 0.689 0 50 CCAA CCc1ccnc(C(=O)N2CCN3C(=O)N=C(O)[C@@H]3C2)c1 329178091 CMRVYYLDFNUMEB-NSHDSACASA-N 288.307 0.861 0 50 CCAA CC(C)Cn1c(OC(C)C)nc2c1c(=O)n(C)c(=O)n2C 170624191 JBEOYYGUAGVVNF-UHFFFAOYSA-N 294.355 0.877 0 50 CCAA NC(=O)C1(NC(=O)c2cc(F)cc3nc(S)[nH]c23)CC1 119729169 IIASVTXLLGYCIS-UHFFFAOYSA-N 294.311 0.738 0 50 CCAA CN(CC1CC1)C[C@@H]1CN(C(=O)C2CCOCC2)CCO1 328635651 NNPWJZDTFSNTNQ-OAHLLOKOSA-N 296.411 0.982 0 50 CCAA C[C@H]1CCC[C@H](C)N1C(=O)Cn1nccc1C(N)=O 170619681 BKYKZPVBTCCNMA-UWVGGRQHSA-N 264.329 0.772 0 50 CCAA O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccon1 328586784 QPYMENBOHGUPRY-CYBMUJFWSA-N 297.380 0.612 0 50 CCAA O=S(=O)(c1ccc2c(c1)OCO2)N1C[C@H](O)C2(CC2)C1 368796226 JBKPHXQRTXMDSB-LBPRGKRZSA-N 297.332 0.561 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)C1(C(N)=O)CC1 216471854 YVFBZXAXCDSFRJ-SECBINFHSA-N 264.329 0.811 0 50 CCAA O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc[nH]1 332123757 ALJIEOXTFQLDHM-LBPRGKRZSA-N 277.324 0.524 0 50 CCAA Cc1cc(S(=O)(=O)NC[C@@]2(C)CCC(=O)N2)c(C)o1 334890103 LIISNIYGDZAVBJ-GFCCVEGCSA-N 286.353 0.843 0 50 CCAA NS(=O)(=O)[C@H]1CCN(c2nc3ccccc3o2)C1 602613687 MYVGEVLISAGOLZ-QMMMGPOBSA-N 267.310 0.695 0 50 CCAA Cc1nccn1CCNC(=O)N[C@@H](CC(C)C)C(N)=O 426389269 NYLNFJJXDRSCMU-NSHDSACASA-N 281.360 0.391 0 50 CCAA Cn1ncnc1CCNC(=O)C(C)(C)N1CCCC1 426563566 XKHYRFNXGQYMOY-UHFFFAOYSA-N 265.361 0.348 0 50 CCAA CC(C)NC(=O)CSc1nnc([C@H]2CCCNC2)n1C 426701575 HYUYSEJDGHAPPN-JTQLQIEISA-N 297.428 0.899 0 50 CCAA Cc1ccc2nc(C(=O)NCCc3cnn[nH]3)c(F)n2c1 426465332 WMIGFCFAFLBBPA-UHFFFAOYSA-N 288.286 0.872 0 50 CCAA COCCCN1CC[C@H](c2nc3c([nH]2)CCCNC3=O)C1 95496595 UMJDJNLKTVRLQC-NSHDSACASA-N 292.383 0.912 0 50 CCAA CC(C)[C@@H]1CN(S(=O)(=O)N(C)C(C)C)C[C@H]1C(=O)O 91935125 VTUMFXXATLIDQL-WDEREUQCSA-N 292.401 0.860 0 50 CCAA CC[C@@H](C(=O)NCCn1nc(C)nc1C)n1cccn1 91965252 AXYRIBWNQSCHNI-LBPRGKRZSA-N 276.344 0.859 0 50 CCAA CC(=O)N1C[C@H]2CN(Cc3cscn3)C[C@@]2(C(=O)O)C1 96138205 HPFVUQYFQJOQPI-ZWNOBZJWSA-N 295.364 0.508 0 50 CCAA CC(C)n1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)cn1 97301395 WETLUFYYGBEPAT-STQMWFEESA-N 252.362 0.571 0 50 CCAA CCOc1cc(Sc2n[nH]c(CO)n2)ncn1 530426635 ASXNJBZFGHIPHZ-UHFFFAOYSA-N 253.287 0.637 0 50 CCAA CCCN(C(=O)c1cn(C)nc1C)[C@H]1CCNC1 178886348 GODMQZBGGZKIMG-NSHDSACASA-N 250.346 0.943 0 50 CCAA Cn1nccc1[C@@H](CO)NC(=O)COc1ccc(F)cc1 622693337 FTLDUWMLJYSQES-GFCCVEGCSA-N 293.298 0.788 0 50 CCAA CCCn1nccc1S(=O)(=O)N1CCN[C@@H](C)C1 534651662 KMBOEHGSENNYAA-JTQLQIEISA-N 272.374 0.276 0 50 CCAA O=C1CC[C@@H](C(=O)NC2(CO)CCCCCC2)NC(=O)N1 584887844 BMUKCXOMSFOBBH-JTQLQIEISA-N 297.355 0.176 0 50 CCAA CCCC[C@@H](NC(=O)c1cc(O)n(C)n1)C(=O)O 585134649 DOHPXYGBDCLCPT-SSDOTTSWSA-N 255.274 0.499 0 50 CCAA CN(C)[C@H]1CCN(C(=O)C(C)(C)n2cccc2)C[C@@H]1O 584887565 PBIXKUCHIUEPEB-STQMWFEESA-N 279.384 0.747 0 50 CCAA CN1C[C@H](NC(=O)c2cnn3ccn(C)c23)CCC1=O 584886864 LLMBTCMFFUTHTE-SECBINFHSA-N 275.312 0.023 0 50 CCAA Cc1nc(CCN(C)C(=O)c2c(C)ncn2C)no1 584884183 CKTFNSPDNARFMM-UHFFFAOYSA-N 263.301 0.735 0 50 CCAA CCOc1ccnc(N2CCOC[C@H](CN(C)C)C2)n1 670447779 KGUZTWNKFUBADH-GFCCVEGCSA-N 280.372 0.890 0 50 CCAA CN1CC2(CCN(C[C@H]3CCCOC3)CC2)OCC1=O 670468732 JAWHNOWTHOVXSI-CYBMUJFWSA-N 282.384 0.736 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)[C@H]1CC12CCOCC2 238074069 AVIUGYKJGZENKR-NXEZZACHSA-N 253.298 0.879 0 50 CCAA CC[C@@H](C(=O)N(C)Cc1nncn1CCOC)N(C)CC 952973367 NJCKGQBCNXWHKB-LBPRGKRZSA-N 297.403 0.613 0 50 CCAA Cc1noc(C)c1CCNC(=O)[C@H]1C[C@@H]1C(=O)O 268876424 BJKCWSDKVLRIJY-UWVGGRQHSA-N 252.270 0.671 0 50 CCAA Cc1cc(S(=O)(=O)N[C@H](C)C(=O)O)sn1 630440825 FGVLBZRDDHYMTH-RXMQYKEDSA-N 250.301 0.203 0 50 CCAA CC(C)(O)[C@@H]1CCCN1C(=O)N[C@@H]1CC[S@](=O)C1 408210716 JXWJDINBUKHAFU-JJQCHNSYSA-N 274.386 0.452 0 50 CCAA Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)nn1 640865144 AVAPCUMYJQLXBM-BZPMIXESSA-N 290.367 0.503 0 50 CCAA Cn1ccc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)n1 646002264 AVFXVSFRZVXPJY-SECBINFHSA-N 299.352 0.296 0 50 CCAA CCCNC(=O)[C@@H](C)N1CCN(CCSC)CC1 1506399618 ICBVTGLMIJECRG-GFCCVEGCSA-N 273.446 0.882 0 50 CCAA Cn1nc2c(c1NC(=O)CN1CCOC1=O)CSC2 1506400844 PDFHDTQLRLFFOJ-UHFFFAOYSA-N 282.325 0.558 0 50 CCAA CCn1ccc(CC(=O)N2CC[C@@H](C(=O)O)C2)n1 652064848 BOWRNYKGACSLPA-SECBINFHSA-N 251.286 0.379 0 50 CCAA COc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)ccn1 1857716611 BWUHETIHIITFEK-UHTWSYAYSA-N 291.351 0.682 0 50 CCAA Cc1cccnc1C(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857730662 YKSJSJHXNBJGBB-ABAIWWIYSA-N 287.319 0.563 0 50 CCAA C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1n[nH]c2c1CCC2 329603708 YPJOUZFOFDLJML-OIBJUYFYSA-N 283.353 0.061 0 50 CCAA CCS(=O)(=O)c1ccc(C(=O)N2CCNC[C@@H]2C)cc1 125609004 LUDIESGNOSOCKO-NSHDSACASA-N 296.392 0.914 0 50 CCAA CS(=O)(=O)CCN1C[C@H](c2cccnc2)[C@@H](C(=O)O)C1 247558725 YBNKXSZILFIUDQ-NEPJUHHUSA-N 298.364 0.226 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cc2c(cn1)OCCO2 566969976 UZYPTWBIDDQUEW-RKDXNWHRSA-N 291.307 0.250 0 50 CCAA O=C(C[C@@H]1NCCNC1=O)OCCCc1ccccc1 36091334 MDPUDXLQJMWVOF-ZDUSSCGKSA-N 276.336 0.641 0 50 CCAA in-vitro Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCOCC1 6702205 FGHDXKFGTPESGT-UHFFFAOYSA-N 284.337 0.115 0 50 CCAA Cc1nc(N2CCN(Cc3ccc4nonc4c3)CC2)n[nH]1 931630836 XXZAOFTUQSSQMD-UHFFFAOYSA-N 299.338 0.972 0 50 CCAA C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1 952877810 VXKATKUSJPGSSI-SECBINFHSA-N 298.364 0.238 0 50 CCAA CC[C@H](NC(=O)c1cc(C)oc1C)[C@H](O)C(=O)O 1875291950 RBTLOFBGPQRGHC-UWVGGRQHSA-N 255.270 0.850 0 50 CCAA Cc1noc(Cn2cc(C(=O)N3CCCC3)cn2)n1 1875259320 CIGUHJUPVCGXLB-UHFFFAOYSA-N 261.285 0.859 0 50 CCAA CCc1nc(O)c(C(=O)NOC[C@H](C)O)cc1C 1875295727 OXKJSJDNDCZZFZ-QMMMGPOBSA-N 254.286 0.700 0 50 CCAA O=C(N[C@@]12COC[C@@H]1C2)c1cc(O)nc(C2CC2)n1 899245688 GCMYIOARJRMTOI-SDBXPKJASA-N 261.281 0.578 0 50 CCAA CN(CCOc1ccccc1)C(=O)c1c[nH]c(=O)cn1 20136926 XPHPDWFWPKHRRG-UHFFFAOYSA-N 273.292 0.921 0 50 CCAA O[C@@H](CN1CCC[C@H]1Cn1cncn1)Cn1cccn1 257365360 PDENYHMBCKVVTO-STQMWFEESA-N 276.344 0.000 0 50 CCAA Cc1cccc(-n2cc(C(=O)N3CC[C@H](N)C3)nn2)c1 132432695 MTPLJIYFVDWGHJ-NSHDSACASA-N 271.324 0.749 0 50 CCAA COc1ccc(CC(=O)NCC(=O)O)cc1OC 406068 QRQLESFVQXBYRM-UHFFFAOYSA-N 253.254 0.447 0 50 CCAA Nc1ncc2ncn(CC3(OCP(=O)(O)O)CC3)c2n1 1553339 KDNSSKPZBDNJDF-UHFFFAOYSA-N 299.227 0.093 0 50 CCAA COC(=O)[C@@]12COC[C@@H]1CN(c1ccnc(C(=O)O)c1)C2 2356138531 ODKMVTFYEGSLPT-XPTSAGLGSA-N 292.291 0.406 0 50 CCAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCOC)C1 4104083 CBYOHKKIBSUBRI-NSHDSACASA-N 292.401 0.201 0 50 CCAA O=C1NC(=O)C(=CNc2ccc(F)c(F)c2)C(=O)N1 6320935 HSRVRDFFVJJMEC-UHFFFAOYSA-N 267.191 0.627 0 50 CCAA CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 10302131 XIGASGVXQNCBJI-JTQLQIEISA-N 262.375 0.574 0 50 CCAA O=C1CC[C@H](Nc2nc(C(F)(F)F)ns2)C(=O)N1 228781292 KNDNXLQDCCPEHO-VKHMYHEASA-N 280.231 0.774 0 50 CCAA COC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C 64219570 KRWPOGQDZNCNLK-JGVFFNPUSA-N 274.317 0.577 0 50 CCAA COc1cc(CNCCN(C)C)ccc1OCCO 20406690 XQQGKHBVIDKRSO-UHFFFAOYSA-N 268.357 0.718 0 50 CCAA O=C(N=c1cc2n([nH]1)CCCC2)[C@H]1CCc2nncn2C1 329107543 PDYIYOBIPFSLMR-JTQLQIEISA-N 286.339 0.434 0 50 CCAA COc1ccnc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 330507205 HUBZUDAGTRTBON-SECBINFHSA-N 284.337 0.854 0 50 CCAA CC1(C)CN(C(=O)C(=O)NC2CC2)[C@@H]2COC[C@@H]21 334752473 WHTXLCZPTAVTBJ-VHSXEESVSA-N 252.314 0.148 0 50 CCAA COC(=O)[C@H]1Cc2cc(OC)c(OC)cc2CN1 34781192 XAVYTZMVMTXAEC-SNVBAGLBSA-N 251.282 0.891 0 50 CCAA Cc1cc(C(=O)N2C[C@@H](C)[C@](C)(CN)C2)nn1C 335390049 LCHZYFQFKASKRN-NOZJJQNGSA-N 250.346 0.785 0 50 CCAA O=C(c1cnn2cccnc12)N1CCC[C@@H](n2ccnn2)C1 333468420 HUQRTTFIRBGPNM-LLVKDONJSA-N 297.322 0.798 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 237155603 PSWBRSRIYCXZDN-TUAOUCFPSA-N 291.417 0.024 0 50 CCAA CCOc1ncccc1C(=O)NC[C@H]1COCCO1 216054835 VDZIWGZQZBSURQ-JTQLQIEISA-N 266.297 0.626 0 50 CCAA Oc1nnc2ccc(-c3nc(-c4ccncn4)no3)cn12 338201097 QCIFCQKEJFRADB-UHFFFAOYSA-N 281.235 0.942 0 50 CCAA O=S(=O)(CCN1CCOC[C@@H](O)C1)c1ccccc1 77504990 LBOQMVHUVHRHTJ-LBPRGKRZSA-N 285.365 0.153 0 50 CCAA NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSC2)cc1 32586976 QLZPNJYJXQYSFY-SECBINFHSA-N 286.378 0.569 0 50 CCAA Cc1cc(C[C@@H](C)NC(=O)N2CCC[C@H](O)C2)n[nH]1 158269791 UHKMERAIFXTDJD-SKDRFNHKSA-N 266.345 0.815 0 50 CCAA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1ccncc1 222806745 WEPCOBROQAKXJI-KGLIPLIRSA-N 293.367 0.547 0 50 CCAA CCN(C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)[C@@H]1CC(=O)NC1=O 291415823 CSUKDBGDXPGYES-UKKRHICBSA-N 262.309 0.462 0 50 CCAA Cc1cc(=O)c(C(=O)N2CC[C@@H](C(C)(C)O)C2)cn1C 426489744 ZQCNZDRYBVLQNB-LLVKDONJSA-N 278.352 0.927 0 50 CCAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2cccn2C)C1 222925970 FXLXTGDNHPLPJA-MNOVXSKESA-N 251.330 0.162 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(C)n(C)c1=O 426420514 YRDZPVFCCKNOFQ-GFCCVEGCSA-N 291.351 0.434 0 50 CCAA Cc1cccc2ncc(C(=O)NCCc3c[nH]cn3)c(=O)n12 97743503 JYLFPSKYHYYYDU-UHFFFAOYSA-N 297.318 0.699 0 50 CCAA Cc1nnc2n1[C@@H](C)CN(C(=O)C1CCOCC1)C2 96132820 QWRGSGOKYSDPGD-VIFPVBQESA-N 264.329 0.916 0 50 CCAA CSc1nc(N)cc(N2C[C@@H](C)[C@@](C)(O)C2)n1 91563096 VWYCQEMAWPBSAU-HQJQHLMTSA-N 254.359 0.988 0 50 CCAA CN1CCC[C@@]2(CCN(C(=O)N3CCOCC3)C2)C1=O 91780532 UTYIULQNGZMDFO-AWEZNQCLSA-N 281.356 0.383 0 50 CCAA C[C@@H](C(=O)NCCCc1cccnc1)n1cnnn1 244673676 HTQAXVXIEWZGFU-JTQLQIEISA-N 260.301 0.378 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)c2ccc(C)nc2)[C@H](O)C1 244659678 HHBNAJMXRVKWQB-CHWSQXEVSA-N 277.324 0.102 0 50 CCAA Cc1nccn1CCCN1CCN(C)[C@@H](CCO)C1 244795817 ROGJUTZYMSFNEG-AWEZNQCLSA-N 266.389 0.580 0 50 CCAA NC(=O)[C@@H](O)C1CCN(CCc2cccs2)CC1 299750983 OZOJVORVNSDRPD-LBPRGKRZSA-N 268.382 0.849 0 50 CCAA CN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccs1 299753819 ZMAHMVAYRNKBMG-PELKAZGASA-N 296.348 0.811 0 50 CCAA CCCCO[C@@H](C)C(=O)N1CCOC[C@@H]1C(=O)O 299751553 QYWOHCXJGIQRFA-VHSXEESVSA-N 259.302 0.504 0 50 CCAA O=C(Cn1nc2ccccc2n1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 534651759 BKIGUANBSJRSFY-HGSJOUDDSA-N 297.362 0.640 0 50 CCAA Cc1cc(C)n(C[C@H](C)NCc2noc(C(N)=O)n2)n1 534664628 HMZDZWUBNALKOG-QMMMGPOBSA-N 278.316 0.160 0 50 CCAA Cc1ccc(C(=O)NCc2nonc2C)cc1OCCN 299766161 BVRJVXVQPKVLHD-UHFFFAOYSA-N 290.323 0.954 0 50 CCAA Cc1nn(C(C)C)c(C)c1C(=O)NCCc1nnn[nH]1 299790047 BBYYJSQXCRXSBT-UHFFFAOYSA-N 277.332 0.566 0 50 CCAA CNC(=O)c1noc(CNC(=O)c2ncoc2C2CC2)n1 299779420 UEYUALJANXBAIC-UHFFFAOYSA-N 291.267 0.225 0 50 CCAA Cc1nonc1N1CCN(C(=O)[C@H]2CCCO2)CC1 299774212 FAAFPHONTIZJHF-SNVBAGLBSA-N 266.301 0.206 0 50 CCAA COCCCn1cnnc1CNC(=O)C[C@@H]1CCOC1 824396436 MLNATSLKCIDLDY-NSHDSACASA-N 282.344 0.357 0 50 CCAA CN1C[C@@H](C(=O)N2CCCNC(=O)C2)Oc2ccccc21 584885453 HNJZDCXKSNBFLK-ZDUSSCGKSA-N 289.335 0.232 0 50 CCAA C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccn(CC(=O)O)n1 630134715 DMVNSNKHOLNMBE-QMMMGPOBSA-N 277.284 0.508 0 50 CCAA O=C(CCCn1cncn1)NCCN1CCCC[C@@H]1CO 670460358 IMRUFLNUWVHHBK-CYBMUJFWSA-N 295.387 0.021 0 50 CCAA Cc1cnc(CN2CCC[C@@H](c3nnc(CO)n3C)C2)[nH]1 670461325 YRDGDHLBLIKKIG-LLVKDONJSA-N 290.371 0.719 0 50 CCAA CC(C)n1cnnc1[C@@H](C)NC(=O)CCCn1cnnn1 670446668 JHYZZEPGYRGQKP-SNVBAGLBSA-N 292.347 0.503 0 50 CCAA CCCNC(=O)Cc1noc([C@H]2CCc3nn[nH]c3C2)n1 952892006 BMUZXIWNMIWVQF-QMMMGPOBSA-N 290.327 0.529 0 50 CCAA Cn1nnc(CNC(=O)N[C@H]2CCc3ccccc32)n1 1875263448 RLZBQUZHOXGASB-NSHDSACASA-N 272.312 0.697 0 50 CCAA N=c1nc2c(c[nH]1)CCN(C(=O)CC[C@H]1CCC(=O)C1)C2 1875314235 OHPDJWLVCOLUQF-SNVBAGLBSA-N 288.351 0.923 0 50 CCAA O=C(c1ccccn1)N1CCC(N2C[C@@H](O)[C@H](F)C2)CC1 952973700 HVGMSIQNVQXASX-TZMCWYRMSA-N 293.342 0.701 0 50 CCAA CS(=O)(=O)c1cccnc1N1CCC(C(=O)O)CC1 168310526 YOLHBUYWCOJTEB-UHFFFAOYSA-N 284.337 0.786 0 50 CCAA C[C@@H]1OCC[C@H]1N[C@@H]1CCCN(c2nccn(C)c2=O)C1 275632262 SIHWDBJOXSJJTA-YNEHKIRRSA-N 292.383 0.516 0 50 CCAA CN(CC(N)=O)C[C@H]1CN(Cc2ccsc2)CCO1 275837433 VUFNYGZIWQNGBH-LBPRGKRZSA-N 283.397 0.366 0 50 CCAA O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCc2[nH]cnc2C1 95359684 XCFMIVXTANDYPA-VIFPVBQESA-N 281.337 0.243 0 50 CCAA CC[C@@H]1NC(=O)N(CCc2cccc(OC)n2)C1=O 170592670 PKTXTUYDGKNDKR-JTQLQIEISA-N 263.297 0.963 0 50 CCAA CC(C)(C(=O)N[C@H]1CCCc2c[nH]nc21)S(C)(=O)=O 408109536 XTGJSQZZUMDJMV-VIFPVBQESA-N 285.369 0.727 0 50 CCAA C[C@@H](NCC(=O)N1CCOCC1)c1nnc2ccccn12 172609703 LVLBQVMVNTXPIK-LLVKDONJSA-N 289.339 0.239 0 50 CCAA COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cnc2ccccn12 189593229 KKDWSGJWKWIKRZ-OCCSQVGLSA-N 289.335 0.833 0 50 CCAA Cc1nnc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)s1 573868216 XEKJXVLFAPLSOA-WCBMZHEXSA-N 280.353 0.634 0 50 CCAA CCOc1cc(N2CCC[C@](O)(CO)C2)nc(C)n1 664001311 YOSQUCYENNSOOU-CYBMUJFWSA-N 267.329 0.507 0 50 CCAA CCCCCOCC(=O)N[C@@H](C)c1nnc(O)n1C 585127396 ZDZKJVYHLDIBHR-VIFPVBQESA-N 270.333 0.905 0 50 CCAA Nc1nc(NCCCc2csc(N)n2)c2ncnc-2[nH]1 1529197931 ZDZFCLOTWHVUQB-UHFFFAOYSA-N 290.356 0.970 0 50 CCAA CCc1nc(C)cc(N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)n1 1704312296 OXFFEKPSANBSEJ-OKILXGFUSA-N 291.307 0.713 0 50 CCAA Cc1cc(N2CC[C@H](C(=O)O)[C@H](O)C2)cc(C)n1 1704302852 DUGCYSYWAMDLIZ-NWDGAFQWSA-N 250.298 0.970 0 50 CCAA CC(C)[C@@H](C(=O)N(C)CC(=O)O)N1C[C@H](C)O[C@H](C)C1 153104230 NYPVAYQNIAIVCU-LOWVWBTDSA-N 286.372 0.663 0 50 CCAA CCN1CCn2c(nnc2-c2cnc(C)nc2C)C1=O 1772807800 AVAVOCQHSRSZSH-UHFFFAOYSA-N 272.312 0.828 0 50 CCAA CN1CCN(NC(=S)Nc2ccc3c(c2)OCO3)CC1 5041508 NZGPQYBUVBYSHP-UHFFFAOYSA-N 294.380 0.864 0 50 CCAA CC(C)N1C(=O)N(C)C2(CCN([C@H](C)CO)CC2)C1=O 14752699 LXTRPNNUBPBCHQ-LLVKDONJSA-N 283.372 0.504 0 50 CCAA O=C1C[C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)C[C@H]2N1 1857670272 FFHIQXMDAWBQQW-GZMMTYOYSA-N 274.324 0.249 0 50 CCAA COC(=O)c1ccc(CNC(=O)[C@H]2C[C@H](N)[C@@H](O)C2)cc1 1857740293 MCIGLVBUHWFERX-AVGNSLFASA-N 292.335 0.188 0 50 CCAA CCCn1cc([C@H](C)N[C@@H]2CCN(C(C)=O)C2)nn1 903062519 VIDXAJLJIUQEBZ-CMPLNLGQSA-N 265.361 0.960 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1ccc(O)cc1)C2 1704335611 PFVGYLABARPJDN-KBPBESRZSA-N 290.363 0.724 0 50 CCAA O=S1(=O)CC[C@@H](N(Cc2nnnn2C2CC2)C2CC2)C1 109767678 AJVBBBZHRIGIMP-LLVKDONJSA-N 297.384 0.160 0 50 CCAA CC1(C)NC(=O)N(CCN2CC[C@]3(CCOC3)C2)C1=O 153434896 FDJFBXILPVEXGM-AWEZNQCLSA-N 281.356 0.429 0 50 CCAA C[C@H](CN(C)c1cc(N2CCOCC2)ncn1)C(=O)O 263562842 SYWORIJBZJZZJX-SNVBAGLBSA-N 280.328 0.470 0 50 CCAA CCCc1cc(CNC(=O)[C@@H]2CNCCO2)on1 534640045 FKEHTNLCWPONFN-NSHDSACASA-N 253.302 0.232 0 50 CCAA Cc1nc2n(n1)CCN(c1nc(N)nc(C3CC3)n1)C2 892786964 YEEXXGGUNQMZLQ-UHFFFAOYSA-N 272.316 0.251 0 50 CCAA CCc1nc(=NC(=O)c2cccc(-n3cnnc3)n2)o[nH]1 2100482649 OMHQMSSCGNUTHU-UHFFFAOYSA-N 285.267 0.282 0 50 CCAA O=C1CCC[C@H](CCNC2(C(=O)O)CCOCC2)O1 2325773057 NDIJVUOTUIYQFO-SNVBAGLBSA-N 271.313 0.696 0 50 CCAA O=C(N1CCC[C@@H]1c1nn[nH]n1)C12CSC(C1)C2 2325799306 KEXGSMFVYHGTON-JKDSDDBFSA-N 265.342 0.759 0 50 CCAA O=C(CSc1ncnc2[nH]cnc12)NC[C@@H]1CCCO1 33507 QCRPPQJGYVXDPC-QMMMGPOBSA-N 293.352 0.740 0 50 CCAA O=C(O)CCC(=O)NCc1ccc2c(c1)OCO2 214506 ZGGBPHCYDTUFGI-UHFFFAOYSA-N 251.238 0.896 0 50 CCAA NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 476287 BLWFAEMXLSZWLD-JTQLQIEISA-N 270.310 0.452 0 50 CCAA CO[C@H]1CC[C@H](NC(=O)[C@@H]2CCn3ncnc3C2)CC1 2356158946 FYDVGZBRLDXOTB-IJLUTSLNSA-N 278.356 0.914 0 50 CCAA O=C(C[C@H]1CCC(=O)N1)Nc1cnc2n1CCCC2 67696309 DKKRMRALSVGWJK-SECBINFHSA-N 262.313 0.827 0 50 CCAA CC[C@@H](C)OCC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 330399781 IUJZLTUCMAUNTE-NXEZZACHSA-N 278.374 0.081 0 50 CCAA CCN1CCN(C(=O)COc2cccnc2)[C@H](C)C1=O 67920457 MDQAQXIAFIWEHZ-LLVKDONJSA-N 277.324 0.540 0 50 CCAA O=C(CN1CCCCCC1)NCCSc1cnn[nH]1 65433278 FZDCURYSVXGWOM-UHFFFAOYSA-N 283.401 0.889 0 50 CCAA C[C@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)C[C@@H](C)O1 251739727 RFGAOBSGOQOVEK-WHOHXGKFSA-N 291.417 0.057 0 50 CCAA C[C@H](NC(=O)c1ccc(N2CCCC2)nc1)C(=O)O 237477972 MWOUYLMVYLNHBJ-VIFPVBQESA-N 263.297 0.885 0 50 CCAA CO[C@H]1C[C@@H](CN(C)Cc2cnc(N(C)C)nc2)N(C)C1 284798042 MFEAUICCMMIDOW-KBPBESRZSA-N 293.415 0.694 0 50 CCAA Cc1ccc(N2CC[C@H](C(=O)NCC(=O)O)C2=O)cc1 237784628 KTAJEEGZEOAHMJ-LLVKDONJSA-N 276.292 0.549 0 50 CCAA CSCCN1CCN(Cc2cn(CCO)nc2C)CC1 216073718 YQSCIYRCNXHDAK-UHFFFAOYSA-N 298.456 0.664 0 50 CCAA C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N)C2)CCS1 335030905 ULADAMOVMLRVJV-QWRGUYRKSA-N 285.413 0.290 0 50 CCAA CC[C@H](C)[C@H](O)CNC(=O)c1cc(C(=O)OC)on1 252484103 FOVIFQBJCYPTOM-IONNQARKSA-N 270.285 0.598 0 50 CCAA COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ncnn1C 241693865 QIKMVEZPALINSQ-UMNHJUIQSA-N 264.329 0.589 0 50 CCAA CC(C)CN1CCC(N2CCN(CCO)CC2)CC1 32580860 JOMXKDOFAFRLPS-UHFFFAOYSA-N 269.433 0.717 0 50 CCAA O=C(NCCCc1ccncc1)c1cn[nH]c1-n1cnnn1 215871090 ZWSJKXOUDJQODH-UHFFFAOYSA-N 298.310 0.143 0 50 CCAA COC[C@H](N)C(=O)N1CCNC[C@H]1c1cccc(Cl)c1 262442883 VBADYFSSPSSPJR-STQMWFEESA-N 297.786 0.787 0 50 CCAA CNC(=O)NC(=O)CN1Cc2ccccc2O[C@H](C)C1 292349988 HJOYBWFDSNNGPY-SNVBAGLBSA-N 277.324 0.725 0 50 CCAA Nc1nc(C(=O)NCC2(CN3CCOCC3)CC2)cs1 426431188 XLFVSXJLLADJLG-UHFFFAOYSA-N 296.396 0.568 0 50 CCAA CCCOC[C@@H]1CCN(C(=O)Cc2nc(O)n[nH]2)C1 426552045 QUUDDUVCADISTC-SECBINFHSA-N 268.317 0.328 0 50 CCAA CC[C@H](C(=O)N1CCC([C@@H](C)N)CC1)N1CCCC1=O 178826579 OTRXKAPSOWZXIQ-DGCLKSJQSA-N 281.400 0.973 0 50 CCAA CN1CCCN(CC(=O)N2CCCC[C@H]2C(=O)O)CC1 426535670 INPLWPYEFBRXQW-LBPRGKRZSA-N 283.372 0.090 0 50 CCAA OCc1cccc(C[C@@H]2CCN(C(CO)CO)C2)c1 91933545 POWJJNHCXJJLGN-ZDUSSCGKSA-N 265.353 0.397 0 50 CCAA Cc1ncc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c(C)n1 91907407 GAYCXAFCRHWHQO-OLZOCXBDSA-N 260.341 0.903 0 50 CCAA CN(CC(=O)NC[C@H]1CCOC1)Cc1ccncc1 230508703 QFZIMBFJBUSRNJ-CYBMUJFWSA-N 263.341 0.666 0 50 CCAA Cc1nonc1OCCNC(=O)C(C)(C)N1CCCC1 426486421 QDNNQMURMFYVIS-UHFFFAOYSA-N 282.344 0.747 0 50 CCAA O=C(NCc1ccon1)c1cnc(N2CCOCC2)nc1 97098893 JDGOCJZXTGRKHX-UHFFFAOYSA-N 289.295 0.231 0 50 CCAA COC(=O)C1=C(C(=O)OC)[C@H]2O[C@H]1[C@@H]1[C@H]3CC[C@@H](O3)[C@H]21 254874336 WTLDTKSKWKRNQO-OUNNGCSBSA-N 280.276 0.204 0 50 CCAA CN1CCN(CCC(C)(C)NC(=O)c2cnn(C)c2)CC1 184195715 FVGLSXDNXFDYSD-UHFFFAOYSA-N 293.415 0.566 0 50 CCAA CCOc1ccc(C(=O)N2CCO[C@H](CC(=O)O)C2)cn1 299752388 TZESXGLXENXFLO-LLVKDONJSA-N 294.307 0.796 0 50 CCAA CC[C@H](NC(=O)CCC(N)=O)c1ncnn1CC 299773894 GKGMXKWLYULKBF-QMMMGPOBSA-N 253.306 0.131 0 50 CCAA CCn1cnnc1CCNC(=O)[C@@H](N)C(C)(C)C 299776211 MDOCTCDBHAZPHI-SNVBAGLBSA-N 253.350 0.330 0 50 CCAA O=C1CN(CCCNC(=O)c2ccc(O)cc2F)CCN1 299757357 ICIZEXLAMSGMIH-UHFFFAOYSA-N 295.314 0.083 0 50 CCAA CCCn1cnnc1CNC(=O)c1n[nH]cc1Cl 823031320 PTMQVCPIOWXGQV-UHFFFAOYSA-N 268.708 0.995 0 50 CCAA CSCc1noc(CNC(=O)[C@H](C)Cn2cncn2)n1 820636558 BPLMBOYOGMHDAP-MRVPVSSYSA-N 296.356 0.477 0 50 CCAA Cc1nc(O)c2c(n1)CN(C(=O)C1CCOCC1)C2 825275741 VHEZPUXQILDFGN-UHFFFAOYSA-N 263.297 0.759 0 50 CCAA OCCc1nc(COc2cccc(F)c2)nn1CCO 828776950 NERHYZVJGMPQOC-UHFFFAOYSA-N 281.287 0.523 0 50 CCAA C[C@@H](NC(=O)CCCN1CCCC1)c1nc(N)n[nH]1 584900108 MHVKYLZCADHDBN-SECBINFHSA-N 266.349 0.440 0 50 CCAA COC[C@@H]1CCCN1S(=O)(=O)NC(C)(C)CN(C)C 824371052 PKHBWVNHYXDEQF-NSHDSACASA-N 293.433 0.272 0 50 CCAA CNC(=O)CN(C)C(=O)NCc1nccn1C(C)C 584902910 YXNIIENGVMSYJD-UHFFFAOYSA-N 267.333 0.351 0 50 CCAA CCc1nc(CN(C)C(=O)CCc2cnn(C)c2)no1 584886810 PZVMELCLVCZLAE-UHFFFAOYSA-N 277.328 0.957 0 50 CCAA CNC(=O)N1CCCC[C@@H]1CCNC(=O)/C=C/CN(C)C 1875374405 OMNYAEGLBYGYCN-STMXVASLSA-N 296.415 0.804 0 50 CCAA C=CC(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 1875365659 MICSEPLJWLZVGW-LBPRGKRZSA-N 266.341 0.706 0 50 CCAA c1ncc(Cn2cc([C@@H]3CCNC34CC4)nn2)cn1 1875313424 NSXJDGBAQREFCH-NSHDSACASA-N 256.313 0.726 0 50 CCAA CN1CCC(NC(=O)CN2CCN3CCCC[C@H]3C2)CC1 878253164 ISZVJAFLLOIGCV-HNNXBMFYSA-N 294.443 0.367 0 50 CCAA NC(=O)CN1CCC[C@@H](C(=O)N2Cc3ccccc3C2)C1 952984114 OFPWYRBBGCEPJU-CQSZACIVSA-N 287.363 0.726 0 50 CCAA COC/C(C)=C/C(=O)N1C[C@H](n2ccnn2)[C@H](N(C)C)C1 888094337 IDPLWZQDUUVVNL-OXJBHRBVSA-N 293.371 0.184 0 50 CCAA Cc1nccn1CCN(C)CCCS(=O)(=O)N(C)C 244695617 JPKBUXGMCAYMDF-UHFFFAOYSA-N 288.417 0.405 0 50 CCAA CN1CCC(O)(CNC(=O)c2cncc(F)c2)CC1 244882744 XXYLEWOHHMJAEE-UHFFFAOYSA-N 267.304 0.407 0 50 CCAA Cn1c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cccc1=O 270348060 VRZTTZAZZBCZHN-HIFRSBDPSA-N 284.315 0.773 0 50 CCAA CCOCCN(C)C[C@](O)(C(N)=O)c1ccccc1 408524289 RZQRMPVMQDQSKN-CQSZACIVSA-N 266.341 0.328 0 50 CCAA CN(CCN(C)C1CC1)C(=O)Cc1cncc(O)c1 408518243 XTHACRVCOAFVRP-UHFFFAOYSA-N 263.341 0.882 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1[nH]nc(N)c1Cl 1074611689 VZLIPQMIOXLOAT-ZJRNDGRSSA-N 299.762 0.093 0 50 CCAA Cn1cc(C(=O)NC[C@H]2COc3ccccc3O2)cn1 170120139 UVDBONGHOZVWEI-NSHDSACASA-N 273.292 0.990 0 50 CCAA O=C(CO)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 225536229 RIELSRLCEXBBOG-KWQFWETISA-N 257.236 0.591 0 50 CCAA CS(=O)(=O)C[C@H]1CCCN(c2ncc(F)cn2)C1 644866430 KQWCBGSOTIMICE-VIFPVBQESA-N 273.333 0.877 0 50 CCAA N=c1nc(N2CCO[C@H](CF)C2)c2c([nH]1)CCCC2 645256034 DTRQYJPNGXFBTQ-SECBINFHSA-N 266.320 0.943 0 50 CCAA COc1ncncc1CN[C@H]1CCO[C@@]2(CCOC2)C1 647198576 NDHVJWOWGAALSL-JSGCOSHPSA-N 279.340 0.913 0 50 CCAA NC(=O)[C@@]1(O)CCCN(c2ncnc3ccc(F)cc23)C1 583617713 IDVIDSSUEKSVOJ-CQSZACIVSA-N 290.298 0.586 0 50 CCAA Cc1cnc(N)nc1N1CCC[C@@H](CS(C)(=O)=O)C1 92099109 WGOTZDZVWUYTBT-SNVBAGLBSA-N 284.385 0.628 0 50 CCAA O[C@@]1(c2cnn[nH]2)CCN(Cc2ccc3c[nH]nc3c2)C1 794016859 SYDVXOMQTOCUJX-AWEZNQCLSA-N 284.323 0.775 0 50 CCAA CN1CC[C@@](C)(CN(C)C(=O)CCS(C)(=O)=O)C1 1506417897 CHMDNDAWNUCMOR-GFCCVEGCSA-N 276.402 0.221 0 50 CCAA CS(=O)(=O)N1CCC(c2nc(-c3cocn3)no2)CC1 350874479 BZIZKNYRPXMKNK-UHFFFAOYSA-N 298.324 0.864 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCc2ccon2)CC[C@@H]1O 1704333652 BVHZZNRPWHVQIG-DVVUODLYSA-N 254.286 0.467 0 50 CCAA CN1CCC[C@]2(CO)CCN(c3ncc(F)cn3)C[C@@H]12 1704315736 UWUXOROCFZEYHU-TZMCWYRMSA-N 280.347 0.899 0 50 CCAA COc1nc(N2CCN(C(C)=O)CC2)ncc1F 1704325130 IWMFWEHNKAWXMF-UHFFFAOYSA-N 254.265 0.293 0 50 CCAA COC(=O)[C@H]1C[C@H]2CNCC(=O)N2[C@H]1c1ccccc1 1800411973 ROGPMBJYUSJWDE-OBJOEFQTSA-N 274.320 0.721 0 50 CCAA CNC(=O)[C@@H]1CN(C[C@@]2(C)CCCCO2)CCO1 1616034970 XULQUZNPLZAJCC-WCQYABFASA-N 256.346 0.392 0 50 CCAA CN1C[C@H](CN2CCN(c3cnccn3)CC2)CCC1=O 1772813512 DUQQIIBCQASFMX-CYBMUJFWSA-N 289.383 0.467 0 50 CCAA CSC[C@H](C)C(=O)N1CC(N2CC[C@@H](O)C2)C1 593856468 XUKVRKZLLMIVER-GXSJLCMTSA-N 258.387 0.263 0 50 CCAA COC(=O)CN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 19592503 FQTIOWHXHMZKNP-SNVBAGLBSA-N 296.710 0.735 0 50 CCAA O=C1c2ccccc2C(=O)N1CCN1CCNCC1 19798399 RNVRPMJIWZILNQ-UHFFFAOYSA-N 259.309 0.188 0 50 CCAA Cc1cc(C[C@@H]2CN(CCCn3ccnc3)C[C@H]2O)n[nH]1 1857713895 WOKKRGZSSZBVRG-UKRRQHHQSA-N 289.383 0.840 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1noc(C2CC2)n1 643827532 HWXWHLWPLKBKGS-AWEZNQCLSA-N 294.355 0.674 0 50 CCAA O=C(CN[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)NCC1CC1 643961316 WPDSGLGMORAFBJ-MCIONIFRSA-N 281.400 0.090 0 50 CCAA COc1ccccc1OCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1 237145013 KLIQXTSNWAZXGR-NEPJUHHUSA-N 294.351 0.255 0 50 CCAA COC[C@@H]1CN(C(=O)c2cncnc2N)CC(C)(C)O1 583617400 GPJZRBNBDXCDOP-VIFPVBQESA-N 280.328 0.325 0 50 CCAA CNC(=O)CN1CCC(Nc2ncnc3[nH]ccc23)CC1 263820709 XVFVCDLBBDZHLU-UHFFFAOYSA-N 288.355 0.580 0 50 CCAA C[C@H](N)CCNC(=O)c1ccc2c(c1)C(=O)NCCO2 911741711 VLTDYFNPNLDUAA-VIFPVBQESA-N 277.324 0.276 0 50 CCAA O=C(CCc1ncccn1)NS(=O)(=O)c1ccccc1 813058024 FLNJAVPKILAFPX-UHFFFAOYSA-N 291.332 0.914 0 50 CCAA Cc1nonc1CC(=O)N1CC[C@H](O)CC12CCC2 846267484 SFNFUKINRZHNJR-JTQLQIEISA-N 265.313 0.827 0 50 CCAA CCOC(=O)CNC(=O)C1=C(C(=O)O)CCCC1 3683380 UMMZOIFCFPFKQH-UHFFFAOYSA-N 255.270 0.621 0 50 CCAA O=C(COc1ccc(Cl)cc1)Nc1nnn[nH]1 6225692 NRPYRSXBPLUEMD-UHFFFAOYSA-N 253.649 0.871 0 50 CCAA COc1cccc(OCCNC(=O)[C@H]2CCNC2)c1 237285357 QFFVLIQNCQRWEK-NSHDSACASA-N 264.325 0.800 0 50 CCAA COC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 353062582 KITIELFSVBIDKM-ISUQUUIWSA-N 253.298 0.622 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)N(CCO)CCN(C)C 426707332 BRDVLVXLMZPXEL-NSHDSACASA-N 268.361 0.135 0 50 CCAA Cc1ccccc1S(=O)(=O)NC[C@]1(O)CCCNC1 534584906 SZCPNMLDAOVECH-ZDUSSCGKSA-N 284.381 0.388 0 50 CCAA COC(=O)c1c(N)n(CCO)c2nc3ccccc3nc12 308334 ZQJBRYMXHOVPEV-UHFFFAOYSA-N 286.291 0.946 0 50 CCAA Cc1noc(-c2ccnc(N3C[C@H](O)C[C@@H](O)C3)c2)n1 2356144139 KRJJTHISAHJJGX-GHMZBOCLSA-N 276.296 0.372 0 50 CCAA C[C@@H](O)CNC(=O)Nc1sc2c(c1C(N)=O)CCC2 6754795 MBAURFKEKRLXMD-ZCFIWIBFSA-N 283.353 0.838 0 50 CCAA Cn1cnc2cc(C(=O)N3CCN4C(=O)NC[C@@H]4C3)ccc21 133360868 ACZKBCFWZHESBN-LLVKDONJSA-N 299.334 0.423 0 50 CCAA C[C@@H](c1cccnc1)N(C)C(=O)CS(C)(=O)=O 67676832 DBYIYWAJCCNTND-VIFPVBQESA-N 256.327 0.646 0 50 CCAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(Cc2cccc3nonc23)C1 65508879 IFOBBSHBJARISY-PWSUYJOCSA-N 290.323 0.812 0 50 CCAA Cc1nc(CN2CCC[C@H](N(C)[C@H]3CCOC3=O)C2)no1 248031515 IGRWNWIHYBYFNM-RYUDHWBXSA-N 294.355 0.590 0 50 CCAA COC(=O)c1ccc(C(=O)N2CC(OC(F)F)C2)[nH]1 348833292 KJEOGGBJOWTGDM-UHFFFAOYSA-N 274.223 0.865 0 50 CCAA CC1(C)NC(=O)N([C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)C1=O 349013128 JQZATPYLDMYVDU-WCABBAIRSA-N 295.339 0.143 0 50 CCAA CNC(=O)[C@H]1CN(C(=O)CCc2cccs2)CCO1 170593790 QQSPPQGQDXOTPR-LLVKDONJSA-N 282.365 0.654 0 50 CCAA COCc1nocc1C(=O)N[C@H](C(=O)OC)C(C)C 253418159 SUSAGQGYFIOHBE-JTQLQIEISA-N 270.285 0.748 0 50 CCAA CNCC(=O)NC[C@@H](c1sccc1C)N(C)C 71405814 ZHHLWVHRPPEXLZ-JTQLQIEISA-N 255.387 0.995 0 50 CCAA O[C@@H]1[C@H]2C[C@@H]3CN(c4cncc(-n5cccn5)n4)[C@H]1[C@H]3C2 333275579 HYFCDKPTPVILKG-NCSKVMEWSA-N 283.335 0.868 0 50 CCAA COCc1ccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)o1 328590081 RSDKOONNTWAHJC-OAHLLOKOSA-N 296.367 0.955 0 50 CCAA Cc1ccc(C(=O)N2CCC[C@@H]2CO)c(=O)n1C 215502579 RVDSOYANYAJAMR-SNVBAGLBSA-N 250.298 0.291 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2ccccn2)C[C@H]1CO 328613859 UMCOKROIQJZFHM-ZJUUUORDSA-N 256.327 0.331 0 50 CCAA C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@H](CN)C1 430939709 MCKOXFABWKIHAZ-MNOVXSKESA-N 290.367 0.393 0 50 CCAA CC(C)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1)c1cccnc1 236668452 WETIBPYRDLLQED-HZSPNIEDSA-N 277.368 0.660 0 50 CCAA Nc1nccnc1C(=O)N1CCCC[C@H]1CCC(=O)O 238057430 DJYGAKKZJLMGGT-VIFPVBQESA-N 278.312 0.918 0 50 CCAA COc1ccc(CCN2C(=O)N[C@@]3(CCOC3)C2=O)cc1 129732634 SCYYZZMIOUCNAH-OAHLLOKOSA-N 290.319 0.949 0 50 CCAA CCc1noc(CC)c1CC(=O)NC[C@@H]1CN(C)CCO1 130278848 FYGGAYGPRNWCMR-LLVKDONJSA-N 295.383 0.789 0 50 CCAA CN(C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12)C1CC1 336575251 BFWHFSGZAPKCFP-WDEREUQCSA-N 251.330 0.944 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1nccn2ccnc12 282269425 UMGTXDFREMIATL-RKDXNWHRSA-N 273.296 0.126 0 50 CCAA Cc1cc(O)nc(CCNC(=O)[C@@]2(C)CCCO2)n1 426632828 CSCYNVNQLBXXKQ-CYBMUJFWSA-N 265.313 0.718 0 50 CCAA CC[C@@H](NC(=O)COCCOC)c1ccnn1C 222702164 NDTIRSBSVUGMBN-SNVBAGLBSA-N 255.318 0.650 0 50 CCAA CC(=O)NCCNC(=O)N[C@@H](C(=O)O)c1cccc(C)c1 426545093 OMYOZRSPGJOVIL-GFCCVEGCSA-N 293.323 0.556 0 50 CCAA C[C@@H](CN1CCOCC1)C(=O)NC1(C(=O)O)CCC1 426715822 DYXDAWYOHPWALV-JTQLQIEISA-N 270.329 0.078 0 50 CCAA O=C(O)C1(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 192984172 CEBQDVHTXMPGSB-NXEZZACHSA-N 253.298 0.925 0 50 CCAA O=C(O)[C@@H]1C[S@@](=O)C[C@@H](c2cccc(F)c2)N1 226824940 FIVVTYBRRDQOSI-YMNVWFMLSA-N 257.286 0.672 0 50 CCAA CN(C)[C@H](C(=O)NCc1n[nH]c(N)n1)c1ccc(F)cc1 222746190 IANOBMGKFBWZKU-NSHDSACASA-N 292.318 0.445 0 50 CCAA CN(C)C1=N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C(=O)N1 98213237 ZNDPYMCCPVUIBW-KBPBESRZSA-N 286.379 0.925 0 50 CCAA O=C(NCc1nc[nH]n1)N1CCC[C@]2(CCNC2)C1 426612201 BISDEARCKJQKKC-GFCCVEGCSA-N 264.333 0.090 0 50 CCAA CN(C(=O)c1cn(-c2ccc(F)cc2)nn1)[C@@H]1CCNC1 179072738 OLOPWKJTTMUOOY-GFCCVEGCSA-N 289.314 0.840 0 50 CCAA OCCO[C@H]1C[C@@H](O)C12CCN(Cc1ncccn1)CC2 91793119 YAFYRUSTKLTBPL-OLZOCXBDSA-N 293.367 0.201 0 50 CCAA C[C@H]1CN(S(=O)(=O)N[C@H](CCO)C(C)(C)C)CCO1 239359619 AEXQWBZUZNPWRH-WDEREUQCSA-N 294.417 0.339 0 50 CCAA O=C(NCC1(CF)CCOCC1)c1ccn2nnnc2c1 615830445 BUNCAETVQQHOEX-UHFFFAOYSA-N 293.302 0.620 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc2[nH]cnc2c1 299740930 CHCOLWIDARTWDQ-KCJUWKMLSA-N 276.271 0.601 0 50 CCAA COCCN1CCC(CN2C(=O)CC[C@H]2CCN)CC1 526056011 VWYBPTWMTIMJOR-AWEZNQCLSA-N 283.416 0.685 0 50 CCAA COCC(=O)Nc1ccc(NC2=CC(=O)NC2)cc1 524735638 OZPCIVHHIXFICK-UHFFFAOYSA-N 261.281 0.697 0 50 CCAA Cc1nn(C)cc1NC(=O)CN1C[C@@H]2CC[C@H](C1)[C@@H]2O 252482061 CXGSHWHJFXLXSG-YABSGUDNSA-N 278.356 0.370 0 50 CCAA CC[C@H](CNc1cncc(C(N)=O)n1)N1CCOCC1 534644701 XDUVSVANYRCMKN-SNVBAGLBSA-N 279.344 0.098 0 50 CCAA CCc1nc(CNC(=O)[C@@H]2NCCc3nc[nH]c32)cs1 534658091 TVNZTXIWLAUKLL-GFCCVEGCSA-N 291.380 0.932 0 50 CCAA O=C(C1Cc2ccccc2C1)N1CCS(=O)(=O)CC1 277177317 DNKBOELWCMQSBF-UHFFFAOYSA-N 279.361 0.658 0 50 CCAA Cc1cc(C)n(CC(=O)N2CCN3C(=O)OC[C@@H]3C2)n1 374589120 VIPUDRXPHRIMHT-NSHDSACASA-N 278.312 0.163 0 50 CCAA CS(=O)(=O)CCC(=O)N(CC1CC1)C[C@H]1CCCO1 827881130 JIQHXQFVACUHHZ-GFCCVEGCSA-N 289.397 0.839 0 50 CCAA Cc1cccnc1C[C@@H](C)NC(=O)CCCn1cnnn1 821477591 NJQBYFXZUKUYIJ-GFCCVEGCSA-N 288.355 0.904 0 50 CCAA COCCCCN1CCN(C(=O)[C@]2(C)CCN(C)C2)CC1 584888572 QWGOELNNAHJJGK-MRXNPFEDSA-N 297.443 0.899 0 50 CCAA Cc1nn[nH]c1C(=O)NC(C)(C)CN1CCCC1 584889808 DNFZFRHJGFVWQI-UHFFFAOYSA-N 251.334 0.717 0 50 CCAA CCCc1noc(CN(C)Cc2cc(O)nc(O)n2)n1 670471494 HXULGCZNCPKBEI-UHFFFAOYSA-N 279.300 0.855 0 50 CCAA CCCN1CCN(C(=O)C(C)(C)OCC)CC1=O 670435780 RTTXRBOWQAVXBF-UHFFFAOYSA-N 256.346 0.882 0 50 CCAA Cn1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)c1 685942728 UPOABNVZMNXYAM-NWDGAFQWSA-N 276.296 0.324 0 50 CCAA Nc1ncc(I)cc1C(=O)O 43179100 XEJZAMUIUDIMNL-UHFFFAOYSA-N 264.022 0.967 0 50 CCAA in-vitro O=C(NC[C@H]1CCOC1)N1CCC[C@@H]2COC[C@@H]21 1339962687 XKENWJNZTIXYBI-UTUOFQBUSA-N 254.330 0.843 0 50 CCAA Cc1csc(CNC(=O)CC2CS(=O)(=O)C2)n1 1440951268 XTMKHSLDGKSRTD-UHFFFAOYSA-N 274.367 0.502 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)Cc1cccc(F)c1F 1548448020 FPXXZYNOFIYXJN-WDEREUQCSA-N 270.279 0.610 0 50 CCAA CCN1C[C@H](C(=O)N[C@]2(C)CCO[C@@H]2C)CC1=O 408181937 GPPLISAKEWPCKR-GIPNMCIBSA-N 254.330 0.539 0 50 CCAA C[C@H]1CN(C(=O)c2cnn3ncccc23)[C@@H](C)CN1C 408398687 BYQMGMJBFGDRPM-QWRGUYRKSA-N 273.340 0.894 0 50 CCAA CCOC[C@@H]1CCN(C(=O)[C@H]2NC(=O)O[C@@H]2C)C1 408514378 OTAYEHJWUIXAQA-BBBLOLIVSA-N 256.302 0.368 0 50 CCAA COc1c(F)cc(NC(=O)[C@H]2CNCCO2)cc1F 187388250 SIIXREVLHICOGU-SNVBAGLBSA-N 272.251 0.900 0 50 CCAA Cc1nn(CC(=O)N2CCN[C@H](C)C2)c(C)c1Cl 188402469 FJUVPLMJGCRVMU-MRVPVSSYSA-N 270.764 0.974 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc(F)cn2)C1 644034646 WOVUJQCSLPJTDE-AWEZNQCLSA-N 295.314 0.324 0 50 CCAA Cc1noc2ncnc(N[C@@H]3CCS(=O)(=O)C3)c12 193386016 DCXAHZYHKJHDKS-SSDOTTSWSA-N 268.298 0.525 0 50 CCAA CN(Cc1ccc(N)nc1)c1ncnc2c1cnn2C 195572333 WFUCCDNQRWUJDM-UHFFFAOYSA-N 269.312 0.977 0 50 CCAA O=C1CC(C(=O)N2CCC[C@@H](C(F)(F)F)C2)=NN1 584906805 MBAYSGSFNOLJJF-ZCFIWIBFSA-N 263.219 0.663 0 50 CCAA CCOC(=O)c1n[nH]c([C@@H](C)N=c2nc(CC)[nH]s2)n1 585092894 SQZISDVHCQJPRZ-ZCFIWIBFSA-N 296.356 0.990 0 50 CCAA O=C(c1cnsn1)N1CCN2C[C@@H](F)C[C@H]2C1 1616038433 DBUJBACQXKNQQB-YUMQZZPRSA-N 256.306 0.406 0 50 CCAA Cc1c(Cl)c(C(=O)N2C[C@H](O)[C@@H](F)C2)nn1C 1616111168 UNTQXMBGYQNNHL-BQBZGAKWSA-N 261.684 0.537 0 50 CCAA Cc1nc(N)nc(NC2CCN(CCO)CC2)c1Cl 1506396617 CZDHGISQIIWVEQ-UHFFFAOYSA-N 285.779 0.889 0 50 CCAA COCCN1CC[C@@H](CN(C)Cc2cc(O)nc(O)n2)C1 1529120990 WZKPAGLRYZJWBB-NSHDSACASA-N 296.371 0.288 0 50 CCAA CCN(CC)S(=O)(=O)c1ccc(OCC(N)=O)cc1 16527401 MCHNHPWONBKWLE-UHFFFAOYSA-N 286.353 0.581 0 50 CCAA Nc1ccnc(N2C[C@H](O)[C@H](Cc3ccncc3)C2)n1 1704308732 ITEBBMHZWNAODK-NEPJUHHUSA-N 271.324 0.494 0 50 CCAA Cc1cnc(N2C[C@@H](O)[C@H](Cc3ccncc3)C2)nc1N 1704325957 PSRHRGNHLLVRDF-CHWSQXEVSA-N 285.351 0.802 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(C)on1 643945311 BNNBPRZQIMIDTD-GFCCVEGCSA-N 267.285 0.090 0 50 CCAA CCCNS(=O)(=O)c1ccc2c(c1)N(C)C(=O)CO2 12411186 DTLYWWWSTRCFNO-UHFFFAOYSA-N 284.337 0.730 0 50 CCAA COCCn1cnnc1CN(C)C[C@@H]1CCC(=O)N(C)C1 1775978482 OLHFGTVCLNCDQQ-LBPRGKRZSA-N 295.387 0.225 0 50 CCAA O=C(c1ccon1)N1CCN(C(=O)c2ccco2)CC1 19224786 NILDJKXCFKEXNM-UHFFFAOYSA-N 275.264 0.866 0 50 CCAA CN1CC[C@H](NC(=O)[C@@H]2CC(=O)c3ccccc32)C1=O 19792762 JRAJJIJRZXERAJ-NEPJUHHUSA-N 272.304 0.704 0 50 CCAA CO[C@@H]1CC[C@H](C(=O)NCCOc2nonc2C)C[C@H]1N 1857739255 GRIRBPUSQKLXJF-HBNTYKKESA-N 298.343 0.015 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 57241 VVKAGQHUUDRPOI-RYUDHWBXSA-N 279.292 0.931 0 50 CCAA in-vitro CCCc1c(C(=O)Nc2nnn[nH]2)[nH]c(C)c1C(=O)OC 118686031 RRMGGEXCYVPHOZ-UHFFFAOYSA-N 292.299 0.828 0 50 CCAA CCOC(=O)CC[C@@H](C)N1CCO[C@@H](CC(=O)OC)C1 253415755 UYBZQJTYVRPTPZ-NEPJUHHUSA-N 287.356 0.982 0 50 CCAA CCc1nc(CN2CCC[C@@H](N[C@H]3CCOC3=O)C2)no1 253606514 QHCAUIFSOPLMNG-MNOVXSKESA-N 294.355 0.502 0 50 CCAA CNc1ncc(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)s1 907520748 ZKIGZIHFVUSFIK-UWVGGRQHSA-N 298.412 0.712 0 50 CCAA Cc1cnc([C@@]2(NC(=O)Cn3ccnc3C)CCOC2)[nH]1 818665011 BQENUIJUQWQVBO-CQSZACIVSA-N 289.339 0.655 0 50 CCAA CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1cnn[nH]1 935598749 UXMACPKMQUYUPK-QMMMGPOBSA-N 265.317 0.780 0 50 CCAA CCS(=O)(=O)CCn1cc(-c2cccnc2)nn1 1875282255 VEALKUZSGGYMDL-UHFFFAOYSA-N 266.326 0.775 0 50 CCAA CCn1cc(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)O)nn1 1875393894 PLDDPKQDOMNHML-BXKDBHETSA-N 266.301 0.671 0 50 CCAA C=CC(=O)N1CCC(C(=O)N[C@H](C(=O)NC)C(C)C)CC1 1875365500 JQEPZTILZGBIAR-ZDUSSCGKSA-N 295.383 0.298 0 50 CCAA C[C@@]1(C2CC2)COCCN1C(=O)c1nc2ncccn2n1 890591865 VIRHFNFYWBMGFG-AWEZNQCLSA-N 287.323 0.765 0 50 CCAA COCCn1nnc2c1C[C@H](c1nc(C)no1)CC2 1775960539 QQIMGWHBGKYSIW-SECBINFHSA-N 263.301 0.888 0 50 CCAA Cn1cncc1C(=O)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961547 IMCWCYLLRAMPQX-SCZZXKLOSA-N 276.300 0.188 0 50 CCAA Nc1ccncc1C(=O)N1CCN(C2CC2)C(=O)C1 262022851 RRGQTSYXIPZGII-UHFFFAOYSA-N 260.297 0.111 0 50 CCAA Cc1cc(C)cc(S(=O)(=O)NC[C@@H]2CNCCOC2)c1 72479375 KRMIQXQOVQLHRN-ZDUSSCGKSA-N 298.408 0.818 0 50 CCAA O[C@@H]1COCCN(CCOc2ccc(F)cc2)C1 77379025 DXLHEEIWDFBGRG-LBPRGKRZSA-N 255.289 0.898 0 50 CCAA CC(C)c1nnc(CN2CCN3C(=O)OC[C@@H]3C2)o1 493430012 XLEQFSGYRBZVMQ-VIFPVBQESA-N 266.301 0.829 0 50 CCAA C[C@]1(C(=O)O)CCN(C(=O)C2(C(=O)O)CCC2)C1 852943408 UWSUFVRGCNTLOO-NSHDSACASA-N 255.270 0.565 0 50 CCAA CCOC(=O)[C@H]1CCCN(C(=O)N2CCOCC2)C1 31700 LWYQBXHQASBJHF-NSHDSACASA-N 270.329 0.714 0 50 CCAA CN1CN(C)C(N)=C([C@H]2OC(=O)c3ccccc32)C1=O 398976 FDCPMTXBYGUSPE-NSHDSACASA-N 273.292 0.430 0 50 CCAA c1nc(N2CCc3nc(C4CC4)nn3CC2)c2c[nH]nc2n1 2356167375 XXMRQHBSPVMLEK-UHFFFAOYSA-N 296.338 0.885 0 50 CCAA Cc1cnc(C(=O)NC[C@]2(O)CCO[C@H]2C)cn1 228678984 YKQITOBNUJPIOD-JOYOIKCWSA-N 251.286 0.055 0 50 CCAA CN1CCN(C)[C@H](CNC(=O)Nc2ccc(CN)cc2)C1 68809096 HQDZOJHAGNAEHU-CQSZACIVSA-N 291.399 0.513 0 50 CCAA CC(=O)N1CCO[C@@H](CNC(=O)c2ccoc2C)C1 67965095 MNXGQOUIMPFBIJ-NSHDSACASA-N 266.297 0.565 0 50 CCAA Cn1cc(CCC(=O)N2CCOC[C@@]23CCOC3)cn1 328732469 XLKTWDGZIYXMLY-AWEZNQCLSA-N 279.340 0.371 0 50 CCAA COCCNS(=O)(=O)Cc1ccc(CN)cc1 21500637 UQHJWVJVPOECIC-UHFFFAOYSA-N 258.343 0.211 0 50 CCAA NC(=O)[C@@H](NC(=O)c1csc(O)n1)c1ccc(F)cc1 350898362 MLSMMWKDBXYQLY-VIFPVBQESA-N 295.295 0.944 0 50 CCAA O=C1CN(c2nnc(C(F)(F)F)s2)CCN1 153158515 GZANOXCENVIVID-UHFFFAOYSA-N 252.221 0.493 0 50 CCAA CSC[C@@H](C)C(=O)N1CCOC[C@@H]1CC(=O)O 261542256 OISIOCPODCAFGS-BDAKNGLRSA-N 261.343 0.688 0 50 CCAA CC(C)C[C@@H](O)C(=O)N1CCC2(CC1)CN(C)C(=O)O2 72430532 LVZCJTAIZOHVAQ-LLVKDONJSA-N 284.356 0.837 0 50 CCAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCOC[C@H]2C(=O)O)n1 262412101 BKJKUNKIRRCQRR-RYUDHWBXSA-N 295.339 0.763 0 50 CCAA Cc1cc(C(=O)N[C@H](C)C(=O)O)c2c(C)nn(C)c2n1 262709957 FDVYZQMTZTYTKR-MRVPVSSYSA-N 276.296 0.788 0 50 CCAA Cn1cnc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1 178201472 WFOYMJOVJCSCEV-STQMWFEESA-N 257.293 0.808 0 50 CCAA O=C(NCc1nnnn1-c1ccccc1)c1cnc[nH]1 221335667 BKFUHDRMWJEMTK-UHFFFAOYSA-N 269.268 0.315 0 50 CCAA Cn1cc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)cn1 329208609 BTLYSLHXCSLGBM-GFCCVEGCSA-N 298.412 0.669 0 50 CCAA C[C@H](C(=O)NCC1(CN2CCOCC2)CC1)n1ccnc1 426424425 XZCYXBRDFFEQLC-CYBMUJFWSA-N 292.383 0.673 0 50 CCAA Cn1nc(C(=O)N2CC(C)(C)[C@](O)(C3CC3)C2)ccc1=O 91350609 NZSRAPJCLAPWIV-OAHLLOKOSA-N 291.351 0.403 0 50 CCAA CC(=O)NCCNC(=O)[C@@H](c1ccccc1C)N(C)C 95356111 YGCNVLSBBNJWCA-CQSZACIVSA-N 277.368 0.850 0 50 CCAA O=c1[nH]c2ccc(Cn3cc([C@@H]4CCOC4)nn3)cc2[nH]1 95374158 ITOZIZBOKKTEEL-SNVBAGLBSA-N 285.307 1.000 0 50 CCAA COc1ccnc(CN2CC[C@H](CN)C2)c1OC 232197894 HIZQMAWRGGNDLV-SNVBAGLBSA-N 251.330 0.879 0 50 CCAA Nc1nnc(CCNC(=O)CCCN2CCCC2=O)s1 244778747 PVUXZNAPURLLFD-UHFFFAOYSA-N 297.384 0.182 0 50 CCAA CN(CC(=O)Nc1ccn(C)n1)Cc1n[nH]c2c1CCC2 244882454 XRYYGYCIVIECKA-UHFFFAOYSA-N 288.355 0.702 0 50 CCAA COCCn1cncc1CN(C)[C@H](C)C(=O)N(C)C 252506595 WBKIQXCADIHTRI-LLVKDONJSA-N 268.361 0.438 0 50 CCAA CC(=O)NCCC(=O)N[C@@H](CC(C)C)c1ncnn1C 534642690 FOFFUHFGEADOQE-NSHDSACASA-N 281.360 0.545 0 50 CCAA O=C(O)Cn1nc(Br)c(Br)n1 536949382 JUCRNHYSVBKGAP-UHFFFAOYSA-N 284.895 0.888 0 50 CCAA O=C(N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cccn1C1CC1 1940195700 ZVZCECHEGBWUQK-WKSBVSIWSA-N 278.308 0.080 0 50 CCAA c1cc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)n[nH]1 299763881 GIEOHMBBIXDXPO-RYUDHWBXSA-N 260.301 0.347 0 50 CCAA COc1ccc(C(=O)N2C[C@H](N(C)C)C[C@H]2C(=O)O)cn1 299784139 WJZPONNRBDJPKJ-MNOVXSKESA-N 293.323 0.320 0 50 CCAA O=C(C1CCC1)N1CCC(NCc2nc(O)n[nH]2)CC1 827715744 YYEDXEXFWROQLJ-UHFFFAOYSA-N 279.344 0.391 0 50 CCAA C[C@H](O)[C@H](O)CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 871125890 FHIRBARNFDQCQO-ISVAXAHUSA-N 293.298 0.687 0 50 CCAA CN1CC[C@@]2(CCN(c3ccncc3S(N)(=O)=O)C2)C1 1875289488 WCZUOZBNRLKFHY-CYBMUJFWSA-N 296.396 0.261 0 50 CCAA Cc1nonc1C(=O)NC[C@H]1CCC(F)(F)C(=O)N1 1875297630 ZBFRJMWPFUVHAL-ZCFIWIBFSA-N 274.227 0.022 0 50 CCAA COC(=O)/C=C/CNC(=O)c1c(C)ccnc1O 1875273333 PZMIIZNSLKPKDQ-ONEGZZNKSA-N 250.254 0.555 0 50 CCAA O=C(c1ccc2oc(O)nc2c1)N1C[C@@H]2C[C@@H](O)[C@H]2C1 1875268098 URNNTANWGLEQKP-ATZCPNFKSA-N 274.276 0.986 0 50 CCAA CC(C)C[C@H](N)C(=O)NC[C@@]1(C)CN(C(C)C)C1=O 1875368910 FEMPHWRWCYXDOW-FZMZJTMJSA-N 269.389 0.733 0 50 CCAA C[C@H]1CCO[C@@H]1CC(=O)N1CCc2c(O)nc(O)nc2C1 1875307721 SLDBOACEMJNITM-GZMMTYOYSA-N 293.323 0.588 0 50 CCAA Cc1cccc(Cl)c1S(=O)(=O)N1C[C@H](N)[C@@H](O)C1 1565516660 MBKQTJMPMRTOLG-UWVGGRQHSA-N 290.772 0.341 0 50 CCAA Cn1cnnc1C[C@@]1(O)CCCN(c2ncccc2F)C1 886065564 MKGHTOMUUVZZJT-AWEZNQCLSA-N 291.330 0.923 0 50 CCAA C[C@@H]1CCS(=O)(=O)CCN1CC(=O)NCC1CCC1 170614510 RQCOHCHPGGBNED-LLVKDONJSA-N 288.413 0.412 0 50 CCAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccc2nc(CO)[nH]c2c1 1074621400 UAVSJZYHXXHZJC-UFGOTCBOSA-N 287.319 0.962 0 50 CCAA Nc1ncnc(NC[C@@H](CO)[C@H]2CCOC2)c1Cl 281132766 YYSQPPWHENDMOH-YUMQZZPRSA-N 272.736 0.769 0 50 CCAA CCN(CC)[C@H]1CCN(C(=O)[C@]2(C)CCN(C)C2=O)C1 635627573 RXCHMRQGJKDEIC-SWLSCSKDSA-N 281.400 0.798 0 50 CCAA COCCC1(C(=O)N2CCCNC(=O)[C@@H]2C)CC1 189241010 WUPFQFMONKHXJJ-JTQLQIEISA-N 254.330 0.540 0 50 CCAA CCc1cnc(CNC(=O)CN2CCCC[C@H](O)C2=O)o1 644436304 ZPJDSGPLNAEUQQ-NSHDSACASA-N 295.339 0.227 0 50 CCAA CN(C)S(=O)(=O)N1CCC2(CC1)C[C@](C)(O)CCO2 1704296997 BVEKKVOBMNSSIQ-LLVKDONJSA-N 292.401 0.189 0 50 CCAA CC(C)N1CCC(C(=O)NC[C@@]2(O)CCCNC2)CC1 1506420429 GDXIIANHLYNTEU-OAHLLOKOSA-N 283.416 0.338 0 50 CCAA CCCn1ncc(C(=O)N2CC[C@@H](O)C[C@H]2C(=O)O)c1C 210114328 ABLIXKIDQCOVAZ-PWSUYJOCSA-N 295.339 0.652 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2O)n[nH]1 1704302400 JIODHKHZQDEKIF-KOLCDFICSA-N 275.312 0.117 0 50 CCAA COC1(CN2CCC[C@@](O)(CC(N)=O)C2)CCCC1 643746480 NHELABWDSXFANK-CYBMUJFWSA-N 270.373 0.648 0 50 CCAA NC[C@@H]1c2ccccc2CCN1C(=O)[C@H]1C[C@@H]1C(=O)O 1616046120 OBVJVEOOSHVDCG-RWMBFGLXSA-N 274.320 0.792 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)CCc1ccsc1 1615549090 PCMHDAMOWLBPFD-WDEREUQCSA-N 254.355 0.784 0 50 CCAA Cc1ncn(C)c1C(=O)NCc1[nH]nc2ncccc12 1772804416 OOSFNUOPGYRYKY-UHFFFAOYSA-N 270.296 0.930 0 50 CCAA Cn1nnn(C[C@@H]2CC3(CCCCC3)CO2)c1=O 1652110219 YAENTXUKVAUZJM-JTQLQIEISA-N 252.318 0.716 0 50 CCAA CS(=O)(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1 12454309 CSIAKACVYSQOSJ-ZDUSSCGKSA-N 296.392 0.769 0 50 CCAA O=C(CCCCCN1C(=O)CCC1=O)Nc1nc[nH]n1 18221765 OIHQWVRAZROKJO-UHFFFAOYSA-N 279.300 0.453 0 50 CCAA C[C@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@@H](C)N1 154247487 XYBVIYDABLORCA-AOOOYVTPSA-N 262.375 0.020 0 50 CCAA COc1ccc(C)nc1N1CCC(S(N)(=O)=O)CC1 1857675459 YUPZPSHTWAGZOT-UHFFFAOYSA-N 285.369 0.656 0 50 CCAA CC(C)CC(=O)N1CCN(c2cncc(N)n2)CC1 1857677347 XJQMMGAGMBOJBT-UHFFFAOYSA-N 263.345 0.754 0 50 CCAA CN(C)c1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](O)CO[C@H]23)cc1 1875246489 PLRHFCVKTSQERP-IGQOVBAYSA-N 292.335 0.010 0 50 CCAA COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 408521672 GKAGCQOBFBLKEW-NEPJUHHUSA-N 294.351 0.623 0 50 CCAA CCOCCN1CCN(C(=O)c2cn[nH]c2)CC1 110922696 ITVRWNWVPUQEIW-UHFFFAOYSA-N 252.318 0.204 0 50 CCAA CCn1ccnc1[C@H](C)NC(=O)N[C@@H]1CCCN(C)C1=O 527991700 WLQVCKMBUJQDQU-WDEREUQCSA-N 293.371 0.884 0 50 CCAA NC(=O)C[C@]1(O)CCCN(CC2CC(F)(F)C2)C1 818233932 FTYKIPHILCOPNQ-LLVKDONJSA-N 262.300 0.734 0 50 CCAA COc1cc(CN2CC[C@H](CO)[C@H](O)C2)cc2c1OCO2 1209712094 OYUHVVHHWHDUIZ-VXGBXAGGSA-N 295.335 0.599 0 50 CCAA O=C(O)C1CC2(C1)C[C@@H](NC(=O)C1(O)CCCC1)CCO2 910615956 PTHPLHJXIXWGQU-CVZZAPKMSA-N 297.351 0.820 0 50 CCAA Cc1ocnc1CNS(=O)(=O)N=S1(=O)CCCC1 820794519 BRMZHIAGNLQGDV-UHFFFAOYSA-N 293.370 0.579 0 50 CCAA COc1cccc([C@@H]2C[C@H](O)CN2C[C@H](O)[C@@H](C)O)c1 824774959 XHVJPHFRHXLPTF-WCUVEOEZSA-N 281.352 0.545 0 50 CCAA Cc1c(C(=O)N2CCS(=O)(=O)CC2)nc2ccccn12 1149266101 GNSKEXCUXDDRKC-UHFFFAOYSA-N 293.348 0.513 0 50 CCAA Cc1ccc(C(=O)N[C@@H]2CCNC[C@H]2O)cc1O 223209632 KWCGFQWQEVGTFO-ZYHUDNBSSA-N 250.298 0.153 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@@H]1CC[C@H](N)C1 237135054 MHMVVWLYQPOHRT-MNOVXSKESA-N 253.346 0.195 0 50 CCAA C[C@@H](N)[C@@H]1CCCCN1C(=O)CCn1ccccc1=O 237346549 HIPRBJOGTIMRLM-OLZOCXBDSA-N 277.368 0.967 0 50 CCAA C[C@@H]1CO[C@H](CO)CN1C(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 253618294 VFUGLSXGBAAZCJ-OKGQBYDBSA-N 265.353 0.887 0 50 CCAA CCCn1ccnc1CN1CCO[C@@H](CCN)C1 97632104 NPDPYQLPPUMRJH-LBPRGKRZSA-N 252.362 0.843 0 50 CCAA CCc1ccccc1C(=O)NC[C@H](O)CN(C)C 534650534 CJNDMNXKNLDICW-LBPRGKRZSA-N 250.342 0.901 0 50 CCAA O=C(CCc1cn[nH]c1)N[C@@H]1CCCCNC1=O 629947280 KKHFTNZRYOCTJE-SNVBAGLBSA-N 250.302 0.127 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 630253320 XOKXQTVEDLKHKH-COMAGPEQSA-N 269.297 0.256 0 50 CCAA O=C([C@@H]1CCOC1)N1CCC(c2nc[nH]n2)CC1 371923055 MJCYBRVYXSLPBX-SNVBAGLBSA-N 250.302 0.547 0 50 CCAA CCn1nccc1S(=O)(=O)N1CC=CC[C@@H]1C(=O)O 2325790629 ZBVWWNBARYTRPZ-SECBINFHSA-N 285.325 0.307 0 50 CCAA Cc1cc(C(=O)NN2C(=O)c3ccccc3C2=O)[nH]n1 357667 DLBRBSASFIOHFJ-UHFFFAOYSA-N 270.248 0.659 0 50 CCAA COC(=O)c1ccc(-n2nnnc2SCC(N)=O)cc1 415287 JNTRLGUUCFZXHQ-UHFFFAOYSA-N 293.308 0.026 0 50 CCAA COc1ccc(O[C@H](C)C(=O)Nn2cnnc2)cc1 514374 VLDGTLXENXTSSO-SECBINFHSA-N 262.269 0.824 0 50 CCAA CCSc1nc(CC(=O)NCCOCCO)cs1 55359013 OPHGCPWMMJFTHH-UHFFFAOYSA-N 290.410 0.923 0 50 CCAA O[C@]1(CNc2ccc3nnnn3n2)CCc2ccccc21 133734866 KVDAHBPPFSWCKV-AWEZNQCLSA-N 282.307 0.765 0 50 CCAA CS(=O)(=O)NCCNC(=O)c1ccc2ncsc2c1 29679740 LTUBGCQSOOJJTL-UHFFFAOYSA-N 299.377 0.575 0 50 CCAA CNc1ncc(C(=O)NCC(=O)C(C)(C)C)cn1 67740771 NRBPXDQCECYZIJ-UHFFFAOYSA-N 250.302 0.863 0 50 CCAA CCN1CCN(C(=O)COc2cccnc2)[C@@H](C)C1=O 67920459 MDQAQXIAFIWEHZ-NSHDSACASA-N 277.324 0.540 0 50 CCAA CNc1nc(C(=O)NC[C@H]2CCN(CCOC)C2)cs1 121615674 WAWBCIUEVCPUBT-SNVBAGLBSA-N 298.412 0.883 0 50 CCAA C[C@H]1CCCN(C(=O)COC(=O)c2cncnc2N)C1 170595959 ZIRKDWHEOHTTSX-VIFPVBQESA-N 278.312 0.474 0 50 CCAA O=C(C[C@H]1COCCN1)NCCCn1nccc1C1CC1 72156272 TZLSDYIHHGDDOW-ZDUSSCGKSA-N 292.383 0.645 0 50 CCAA C[C@@H]1CCC[C@H](NC(=O)COC(=O)[C@H]2COCCO2)[C@@H]1C 252586287 ORDUZGFPWKMNGQ-FVCCEPFGSA-N 299.367 0.886 0 50 CCAA COCCN(Cc1nccs1)C(=O)C[C@H]1COCCN1 72145721 NFCNFHBVHWZJDG-NSHDSACASA-N 299.396 0.497 0 50 CCAA Cn1cnc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1 328668797 FKENAATZUWJOQZ-NSHDSACASA-N 263.297 0.240 0 50 CCAA NC(=O)C[C@@H]1COCCN1C(=O)CSc1ccncc1 72418641 HQJVVQMJFZDKBS-SNVBAGLBSA-N 295.364 0.277 0 50 CCAA Nc1nnc(CNC(=O)[C@@H](O)c2ccc(F)cc2)s1 219015953 MDBJYZFXEMLTEH-VIFPVBQESA-N 282.300 0.609 0 50 CCAA C[C@@H]1CN(C(=O)c2cc(F)c[nH]2)CCS(=O)(=O)C1 331566177 DBDUOBXVWHEFLT-MRVPVSSYSA-N 274.317 0.661 0 50 CCAA COc1ncc(CN2CCO[C@H](CN(C)C)C2)c(C)n1 369196685 YWPJZMXYCOAQGI-CYBMUJFWSA-N 280.372 0.556 0 50 CCAA Cc1cc(C)n(CC2(CNC[C@@]3(O)CCNC3)CC2)n1 77470454 BQPNBPMQLKWEDF-OAHLLOKOSA-N 278.400 0.594 0 50 CCAA Cn1nnc(CNC(=O)N2CCCC[C@@H]2c2cc[nH]n2)n1 376993975 NWQDBRWLLUGCNB-SNVBAGLBSA-N 290.331 0.370 0 50 CCAA Cn1nccc1/C=C/C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 377190028 STWQMZSLBXCEEA-GKUNOOHESA-N 274.324 0.170 0 50 CCAA CNC(=O)c1ccc(/C=C/C(=O)N2CC[C@@H](N)C2)cc1 237174237 ZGZWIXWFQLSKCJ-WXJAXGNASA-N 273.336 0.619 0 50 CCAA C[C@H](C(=O)N1CCO[C@@H](CC(=O)O)C1)C1CCOCC1 263292812 RLXJTAXEQJZMIZ-JQWIXIFHSA-N 285.340 0.751 0 50 CCAA CN(CCCc1nccn1C)C(=O)CN1CCOCC1 222889153 VGTMXIIIGPBRGM-UHFFFAOYSA-N 280.372 0.143 0 50 CCAA CC[C@H](Sc1nnc(CNC)n1C)C(=O)N(C)C 426699890 HRNMFLWDHYLKAN-QMMMGPOBSA-N 271.390 0.493 0 50 CCAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cncc(=O)[nH]1 426421356 XEFQRTPEJSHLGC-GFCCVEGCSA-N 299.286 0.422 0 50 CCAA CCc1nc(NCCN(C)S(C)(=O)=O)ncc1C 426511920 AIUNXAJHIKAAKO-UHFFFAOYSA-N 272.374 0.651 0 50 CCAA Cc1nc(O)c2c(n1)CN(C(=O)COC[C@H]1CCCO1)C2 426589043 NIVFZRJBAXZFSC-SNVBAGLBSA-N 293.323 0.528 0 50 CCAA CS(=O)(=O)c1cc(N2CCOCC2)ccc1C=O 42684444 PFUGBZLMKRXOIV-UHFFFAOYSA-N 269.322 0.739 0 50 CCAA COCCNC(=O)C[C@@H]1Nc2ccccc2NC1=O 95117691 PTHQQKWNXCXJOG-NSHDSACASA-N 263.297 0.572 0 50 CCAA Cc1cccc2nc(CN3C(=O)CCNC3=O)cc(=O)n12 95497613 BTCPJNWKNGURMY-UHFFFAOYSA-N 286.291 0.445 0 50 CCAA Cn1ccnc1-c1cn(Cc2n[nH]c3c2CCC3)nn1 91737787 JUECQVBEKTVCFR-UHFFFAOYSA-N 269.312 0.939 0 50 CCAA CCN1C[C@@H](C(=O)NCCCc2cnn(C)c2)CC1=O 95383057 OVOACZLRSZDRAT-LBPRGKRZSA-N 278.356 0.337 0 50 CCAA COc1ccccc1[C@@H](O)CNC(=O)[C@H]1CCCNC1 178029788 QKZIJNKNCKXAMA-AAEUAGOBSA-N 278.352 0.844 0 50 CCAA Cn1ccnc1[C@@H](NC(=O)Cn1ccc(=O)cc1)C1CC1 244674003 HZQAMLPQCBDZCO-AWEZNQCLSA-N 286.335 0.849 0 50 CCAA CCN1CCN(CC(=O)N2C[C@H](C)[C@@](O)(C(C)C)C2)CC1 248202365 XBBGZCHLYIIELO-HOCLYGCPSA-N 297.443 0.489 0 50 CCAA CCC1(CO)CCN(C(=O)[C@H]2COCCO2)CC1 179375576 XRRRRIHONQCBSW-LLVKDONJSA-N 257.330 0.413 0 50 CCAA CC(C)[C@H](CO)NC(=O)[C@H](c1ccccc1)n1cnnn1 252479599 BIHPNHCDPUYUNN-STQMWFEESA-N 289.339 0.396 0 50 CCAA Cc1cnn(CCC(=O)N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)c1 534630559 YPVWBZBUXGMNNJ-KPWCQOOUSA-N 274.368 0.790 0 50 CCAA Cc1nn(CC(=O)NCc2cc[nH]n2)cc1Cl 534585825 PGVGULSPUFNSAB-UHFFFAOYSA-N 253.693 0.884 0 50 CCAA CO[C@H]1CCN(S(=O)(=O)N2CCCCCC2)C1 362127972 ZIHCNNNBHCWCMQ-NSHDSACASA-N 262.375 0.828 0 50 CCAA COCCN1C[C@H](CNC(=O)c2cncc(F)c2)CC1=O 584892133 UHWLEIJTVNSNPB-JTQLQIEISA-N 295.314 0.445 0 50 CCAA Cc1nn[nH]c1C(=O)N(C)CCN1CCCCC1 584884564 GFOWYBWSDMSBIS-UHFFFAOYSA-N 251.334 0.671 0 50 CCAA O=C(CN1CCOCC1)NCCCC[C@H]1CCCO1 584889140 XUNZIPUJWYWXMG-ZDUSSCGKSA-N 270.373 0.784 0 50 CCAA O=c1c2c(C(F)(F)F)cccc2ncn1[C@@H]1CNC[C@H]1O 670448370 JAKDFFPXAIDZAC-NXEZZACHSA-N 299.252 0.921 0 50 CCAA c1nc2n(n1)[C@H](Cn1cc([C@H]3CCOC3)nn1)CC2 1331885492 ZZAHRMQIAYYXTP-UWVGGRQHSA-N 260.301 0.561 0 50 CCAA COCCCn1cnnc1CNC1CCNCC1 952980178 WKBRNZNNXDPDHA-UHFFFAOYSA-N 253.350 0.156 0 50 CCAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)c1ccco1 1565530087 BVUGVPPGFBNGHR-WPRPVWTQSA-N 269.253 0.268 0 50 CCAA CSC[C@@H](C)C(=O)NCc1nnc(O)n1C1CC1 585130302 MQPHCHMRSASLEI-SSDOTTSWSA-N 270.358 0.934 0 50 CCAA Cn1cc(CN2CCCN([C@@H](C(=O)O)C3CC3)CC2)cn1 635018458 ZRJHRTOENZXKIQ-CQSZACIVSA-N 292.383 0.791 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1n[nH]cc1C 643765989 XQFPWSXFKBCXMQ-CYBMUJFWSA-N 266.345 0.445 0 50 CCAA O=C(O)[C@@H](Cc1ccncc1)NC(=O)[C@H]1CCCCO1 655600360 DNMXBGHWXCRYBW-VXGBXAGGSA-N 278.308 0.763 0 50 CCAA Cc1occc1CN(C)S(=O)(=O)c1cnn(C)n1 1616034154 HJLZJLOYKGLENU-UHFFFAOYSA-N 270.314 0.537 0 50 CCAA CN(C)c1cccc(C(=O)NS(=O)(=O)N(C)C)c1 1645761959 KLPNQJVKRPCICD-UHFFFAOYSA-N 271.342 0.289 0 50 CCAA O=C(N[C@]12CCC[C@H]1CNC2)c1cnc2nccn2c1 1646836430 YUJLHYZZLFQNMZ-FZMZJTMJSA-N 271.324 0.601 0 50 CCAA Cc1nn[nH]c1C(=O)N(C)C[C@H]1CC(=O)N(C(C)(C)C)C1 1506399545 HKJUTYTUPFPHNW-SNVBAGLBSA-N 293.371 0.832 0 50 CCAA CSCC(=O)Nc1csc2nc(=O)c(C)nn12 1506431754 XZCRDUCEFRKMPW-UHFFFAOYSA-N 270.339 0.761 0 50 CCAA CC[C@H](C(=O)N(CCO)Cc1ncc[nH]1)N(C)C 1704312126 KNTBOGARYWXXRR-SNVBAGLBSA-N 254.334 0.071 0 50 CCAA CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 3239400 XDFORFNMDCRJCI-UHFFFAOYSA-N 298.364 0.344 0 50 CCAA NCCc1c(-c2ccccc2)[nH]n(C(N)=S)c1=O 12404573 LGTAZAQEKLFVCL-UHFFFAOYSA-N 262.338 0.436 0 50 CCAA in-vitro Cn1ncc(NC(=O)Cn2ccc(-c3cccn3C)n2)n1 19788818 DOKLXXYCDBKJJN-UHFFFAOYSA-N 285.311 0.656 0 50 CCAA N=c1ccc(-c2cnc(N3CCC[C@@H](O)C3)nc2)c[nH]1 629760260 YDCIRCDECCBCFB-GFCCVEGCSA-N 271.324 0.912 0 50 CCAA CCCNC(=O)CCNS(=O)(=O)c1ccccc1 12865774 HMGKMSXQOQXRJM-UHFFFAOYSA-N 270.354 0.881 0 50 CCAA CC(C)CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 16575255 DAXIVGNLXAYAIT-JTQLQIEISA-N 262.375 0.430 0 50 CCAA CN1CC2(C1)CN(C(=O)c1cn3ccsc3n1)C2 1269653156 ZUZCMSLKBSTCIF-UHFFFAOYSA-N 262.338 0.783 0 50 CCAA O=C(OCCCF)N1CCO[C@H](CN2CCOCC2)C1 952876637 DBHOCHZLDOBRLV-GFCCVEGCSA-N 290.335 0.516 0 50 CCAA CNc1ncccc1C(=O)N1CC[C@H](Cc2nn[nH]n2)C1 1875285870 DNLQJMDOVFJNKG-SECBINFHSA-N 287.327 0.341 0 50 CCAA O=C(c1ns[nH]c1=O)N1CC(O)(c2ccccc2F)C1 1875301491 LPZJGSXUUQCKJI-UHFFFAOYSA-N 295.295 0.314 0 50 CCAA NC(=O)CC[C@@H]1NC(=S)N(Cc2ccccc2)C1=O 52415 BRAAMVXSGCJHCD-JTQLQIEISA-N 277.349 0.537 0 50 CCAA O=C(COc1ccccc1Cl)Nc1c[nH]c(=O)[nH]c1=O 176925 LFFVAVUOIUWJKZ-UHFFFAOYSA-N 295.682 0.734 0 50 CCAA O=C(O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 301239 VGMULOZGMOSVOZ-JTQLQIEISA-N 285.321 0.842 0 50 CCAA CC(C)COC(=O)[C@@H](C)Sc1nnc(O)[nH]c1=O 2491441 QHQJQRZZXMOCHF-ZCFIWIBFSA-N 273.314 0.550 0 50 CCAA CCC[C@H](C)NC(=O)C1CCN(S(C)(=O)=O)CC1 4497925 IDVYSKRTXTZNGQ-JTQLQIEISA-N 276.402 0.963 0 50 CCAA CCOc1ccnc(N2CCN(C(=O)NC3CC3)CC2)n1 113573650 CLSZHBMYTXCRPE-UHFFFAOYSA-N 291.355 0.869 0 50 CCAA C[C@H](C[S@@](C)=O)NC(=O)N1CCC[C@@H](N(C)C)C1 248452362 GLCXYQICODZPRN-PJYBLOJUSA-N 275.418 0.489 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1Cc1nc[nH]c1C 67834257 ACABRIHZHKQYGC-AAEUAGOBSA-N 279.388 0.488 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N(C)CCc2cnccn2)N(C)C1 330573802 NPCHOHVBDIHJLV-STQMWFEESA-N 278.356 0.197 0 50 CCAA Cn1nnnc1Cn1ccc(C(F)(F)F)cc1=O 330814741 OJAMUKMLXVRNBE-UHFFFAOYSA-N 259.191 0.439 0 50 CCAA CS(=O)(=O)c1ccccc1C(=O)N1CCCOCC1 332232231 PICCLOFNGRUZPZ-UHFFFAOYSA-N 283.349 0.953 0 50 CCAA CN1CCC[C@H](CNC(=O)C(=O)c2ccco2)C1 67954558 IUJLEVITAWGZQL-SNVBAGLBSA-N 250.298 0.920 0 50 CCAA Cc1nc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)n(C)n1 333865573 SREHRXDJNKQODU-KCJUWKMLSA-N 263.345 0.336 0 50 CCAA CCc1cc(CCCN2CCOC[C@H]2C(N)=O)on1 240757044 HVYMXVFYEBUQLG-LBPRGKRZSA-N 267.329 0.356 0 50 CCAA COC[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)CC(C)(C)O1 285488317 MERZKSGULHKLOO-VIFPVBQESA-N 296.323 0.645 0 50 CCAA Cc1oc2c(c1C(=O)N1CCOC[C@@H](O)C1)C(=O)CCC2 77323831 SPHDLVOEPIAHGY-JTQLQIEISA-N 293.319 0.940 0 50 CCAA O=C(CCc1cc2n(n1)CCNC2)NCCc1ccncc1 72463483 LHMZOCWECOLDFU-UHFFFAOYSA-N 299.378 0.673 0 50 CCAA CCOCCN1CCN(c2cc(C)nc(N)n2)C[C@H]1C 252504753 FULBYKAIDNSUSI-GFCCVEGCSA-N 279.388 0.914 0 50 CCAA CC(=O)Nc1ccc(NC(=O)C(=O)N2CCOCC2)cc1 38725065 ZDBHRHKMNGPYAF-UHFFFAOYSA-N 291.307 0.442 0 50 CCAA CCN1C[C@H](C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)CC1=O 253426745 IOBAXFMKRZYSGE-IYKHAPDZSA-N 287.323 0.149 0 50 CCAA O=C(C[C@H](O)Cc1ccccc1)N1C[C@H](F)C[C@@H]1CO 487372468 XMJKZGVJGSTCIY-MGPQQGTHSA-N 281.327 0.911 0 50 CCAA Cc1c(NS(=O)(=O)C[C@@H]2CCCO2)cnn1C 176976124 IPULJMUYXHLNBZ-VIFPVBQESA-N 259.331 0.649 0 50 CCAA O=C1OCC2(CCN(Cc3cc4n(n3)CCNC4)CC2)O1 72171395 ZERFPVQHGQHVBH-UHFFFAOYSA-N 292.339 0.488 0 50 CCAA O=C1N[C@H]2CC[C@@H]1CN(C(=O)CCc1cccnc1)C2 215074441 LNXUQTNIRLPMOO-OLZOCXBDSA-N 273.336 0.751 0 50 CCAA CCc1[nH]ccc1C(=O)N[C@]1(C(N)=O)CCCOC1 376116307 PHNZSSCBFXLFCY-CYBMUJFWSA-N 265.313 0.341 0 50 CCAA Cc1noc(C)c1CCN1C(=O)NC2(CCNCC2)C1=O 77456323 YQUXAMBAGWVSLR-UHFFFAOYSA-N 292.339 0.508 0 50 CCAA Cc1c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cnc2ccnn12 77471506 RXIIKJJDLBYDRF-WCQYABFASA-N 285.351 0.814 0 50 CCAA O=C(NCCn1nc(O)ccc1=O)c1cnc2ccccn12 71747164 JTASNWPFHJHWFS-UHFFFAOYSA-N 299.290 0.027 0 50 CCAA COC[C@@H]1[C@@H](NC(=O)c2cccnc2O)[C@@H]2CCO[C@@H]21 222696588 JVLFRUWGRYHOEW-IELRGYKMSA-N 278.308 0.567 0 50 CCAA CCOC(=O)C1=C(O)C(=O)N(CCCN(C)C)C1 44122989 KHFOKNMUIULAEU-UHFFFAOYSA-N 256.302 0.156 0 50 CCAA Cc1cccnc1C[C@H](C)NC(=O)N1CCNC(=O)CC1 426536546 SFKUBUMPTPMMSE-LBPRGKRZSA-N 290.367 0.853 0 50 CCAA CCn1ccnc1CN(C)C(=O)CN(C)CCOC 223825725 ULBPLQOJMMFDOP-UHFFFAOYSA-N 268.361 0.440 0 50 CCAA O=C1OCCN1CC(=O)N1CCOc2ccccc21 95497420 FZEWCRVRUPDHMU-UHFFFAOYSA-N 262.265 0.864 0 50 CCAA O=C(NCc1cnc2ccccn12)NC[C@@H]1CCCN1 426525845 HTPUYXXMNZDCAQ-NSHDSACASA-N 273.340 0.886 0 50 CCAA CCOC(=O)C(C(=O)OCC)[C@H]1CCCC(=O)N1 238850864 DBOSZNSGPZOJBF-MRVPVSSYSA-N 257.286 0.398 0 50 CCAA Cc1ccc([C@@H](C(=O)NC(C)(CO)CO)N(C)C)cc1 91876398 VHFSCITWDBRWLH-ZDUSSCGKSA-N 280.368 0.457 0 50 CCAA COCc1cccc(S(=O)(=O)N(C)C2(CO)CC2)c1 296093823 QROXGOJTSZYHPY-UHFFFAOYSA-N 285.365 0.978 0 50 CCAA CNC(=O)NCC(=O)N1CCO[C@H](Cc2ccccc2)C1 182159510 FXDMJXWODDUXMH-CYBMUJFWSA-N 291.351 0.386 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2Cc1nnnn1-c1ccccc1 299745266 XHTRIHKDWKLGGC-CHWSQXEVSA-N 298.350 0.373 0 50 CCAA Cc1ccn2cc(CNC(=O)[C@@H]3C=CCN3)nc2c1 534640966 YOQMWZYDAYTRMI-LBPRGKRZSA-N 256.309 0.787 0 50 CCAA O=C(N[C@@H]1CNC[C@H]1O)c1ccc(-c2cc[nH]n2)cc1 534648708 GVHFHNBDCIYSFN-CHWSQXEVSA-N 272.308 0.139 0 50 CCAA Nc1n[nH]c(CNC(=O)CN2CCCCCCC2)n1 534666153 JGWLJXIFNVYIKH-UHFFFAOYSA-N 266.349 0.269 0 50 CCAA CN(C)[C@H]1CN(S(=O)(=O)c2cccc(F)c2)C[C@@H]1O 647886447 SIEMTLMAHOYOGT-RYUDHWBXSA-N 288.344 0.121 0 50 CCAA COC(=O)[C@@H]1CNCC(=O)N1Cc1ccc(Cl)cc1 299803919 KWTSRYWIMDCTGW-NSHDSACASA-N 282.727 0.813 0 50 CCAA CN1CC2(CCN([C@@H]3CCSC3)CC2)OCC1=O 670434676 NKDALKPTONGOCD-LLVKDONJSA-N 270.398 0.815 0 50 CCAA Cc1nc(O)ccc1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1875290973 KKZOQJOYDGIMTD-MYJAWHEDSA-N 296.348 0.947 0 50 CCAA Nc1nnc(CCCNC(=O)[C@@H]2CCC[C@H](O)C2)s1 1565530399 MIOAOOVWMOKIKN-BDAKNGLRSA-N 284.385 0.720 0 50 CCAA CCN1Cc2ccccc2C[C@H]1C(=O)NCc1nn[nH]n1 952868949 JCMBAXLCVUWELZ-LBPRGKRZSA-N 286.339 0.263 0 50 CCAA Cn1nncc1C1(O)CN(c2ncnc3c2CCCC3)C1 1775276564 XZAZJONKEOMOBR-UHFFFAOYSA-N 286.339 0.192 0 50 CCAA Cc1cc(C)c(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)[nH]1 1775987890 MZKKWSMZQZBFSY-JTQLQIEISA-N 285.369 0.382 0 50 CCAA CC(=O)N1CC(C(=O)NCc2n[nH]c3c2CCCC3)C1 1775988231 HKUCZCBQNWRLSA-UHFFFAOYSA-N 276.340 0.383 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)NCc1cnccn1 1579291847 RWUOLRCGSIQEET-MRXNPFEDSA-N 298.346 0.902 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)Nc1cc(C(N)=O)n(C)c1 276723727 DMTQDTGHMSXPCI-PSASIEDQSA-N 265.313 0.878 0 50 CCAA C[C@@H]1CN([C@H]2CCC(=O)NC2=O)CCN1CC(F)(F)F 225386930 GOHMJIBGZHGODS-BDAKNGLRSA-N 293.289 0.360 0 50 CCAA CCOc1ccc(Cn2nc(COC)oc2=O)nc1 225472911 MAEKHYDWQYWPCP-UHFFFAOYSA-N 265.269 0.825 0 50 CCAA Cc1nccc(N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)n1 1076054878 ZYQZBQRPKUGHLK-NEPJUHHUSA-N 272.312 0.727 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2nc(C)ccc2O)C1 643756352 RLFYZXKHJYOSPI-OAHLLOKOSA-N 293.367 0.559 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cocn1 643765299 RDMXLXWMVHGLLE-GFCCVEGCSA-N 253.302 0.402 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(F)c[nH]1 644059771 FCDJFANPXIJYTM-GFCCVEGCSA-N 269.276 0.260 0 50 CCAA O=C(CCc1cnc[nH]1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644228615 PZJWFQHZIVPFQH-MJBXVCDLSA-N 292.383 0.446 0 50 CCAA CC[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCO1 195439807 HMDBLSMEGXPOPH-JTQLQIEISA-N 263.297 0.432 0 50 CCAA Cc1cc(CS(=O)(=O)N[C@H]2C[C@H](O)C23CCC3)no1 657183552 CRNDOAVNZUNZEY-QWRGUYRKSA-N 286.353 0.706 0 50 CCAA COC[C@H](OC)C(=O)N1CCCC[C@H]1CC(=O)O 659144428 HAUHUANNNWMHSZ-UWVGGRQHSA-N 259.302 0.504 0 50 CCAA CN1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 659832160 NVFINRIEUVMKLT-YNEHKIRRSA-N 251.374 0.681 0 50 CCAA CCn1cnc2c(N[C@@H]3C[C@@H](C(=O)O)C[C@H]3O)ncnc21 662897706 VNUGEKURDNTLCC-IWSPIJDZSA-N 291.311 0.482 0 50 CCAA NC(=O)c1coc(CNC(=O)[C@H](C(=O)O)C2CCCC2)n1 663126902 XVPRYGOQDMANKL-SNVBAGLBSA-N 295.295 0.281 0 50 CCAA CN(C[C@H]1CCCN(CCO)C1)C(=O)c1cnc(N)s1 1506420923 BZKNYYWEQYGWIL-SNVBAGLBSA-N 298.412 0.502 0 50 CCAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)CO)CC2)O1 1857696939 FXTSRBQTCMZVCX-VXGBXAGGSA-N 285.384 0.926 0 50 CCAA CCc1c(C)nn(CC(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1C 215614879 OGEHDOCGLWQNNE-JSGCOSHPSA-N 295.383 0.264 0 50 CCAA COCn1nc(Br)nc1N1CCNCC1 216624585 FKVSNAFWGLVTFL-UHFFFAOYSA-N 276.138 0.054 0 50 CCAA in-vitro Cc1nc(CC(=O)N2C[C@H](C)[C@@](O)(C(C)C)C2)n[nH]1 219696291 PMILNWBRVMOMJJ-ZANVPECISA-N 266.345 0.521 0 50 CCAA CNc1ncccc1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1704308674 HALDTIRSPYSKDT-RYUDHWBXSA-N 290.367 0.526 0 50 CCAA C=CS(=O)(=O)CCN1CCO[C@]2(CCO[C@@H]2C)C1 1616035104 KXSUJUCNRAMZGS-VXGBXAGGSA-N 275.370 0.425 0 50 CCAA C[C@H](NC(=O)NCc1cnn(C)c1)c1cnn(C)c1 332341547 SMPUKCCEGUPQEQ-VIFPVBQESA-N 262.317 0.714 0 50 CCAA CNC[C@@H](C)C(=O)N1CCC(c2ccnn2C)CC1 237166479 BWTCNYOMPYWGCA-LLVKDONJSA-N 264.373 0.982 0 50 CCAA Cc1cc(NC(=O)NC2CCS(=O)(=O)CC2)on1 1875263230 XOAYOURGHVDJFF-UHFFFAOYSA-N 273.314 0.682 0 50 CCAA CN(C[C@H]1COc2ccccc2O1)C(=O)c1c[nH]nn1 108285525 CRFRZDXKNBLSKJ-VIFPVBQESA-N 274.280 0.717 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CC[C@@]2(CNC(=O)CO2)C1 1772812751 PYHRYBKFRMVSGH-CYBMUJFWSA-N 297.742 0.410 0 50 CCAA CO[C@@H](C)c1nc(CS(=O)(=O)c2nc[nH]n2)cs1 1649718695 WTMDXMCNZYJXLM-LURJTMIESA-N 288.354 0.943 0 50 CCAA CC[C@H](C)N1CCC(N2CCN(CCO)CC2)CC1 19889075 OEBZZXOLZLNWDK-AWEZNQCLSA-N 269.433 0.859 0 50 CCAA COC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 2561181 UGLQIOYVRJQLOG-NSHDSACASA-N 294.307 0.720 0 50 CCAA in-vitro Cc1cn2c(nc3c2c(=O)n(CC(C)C)c(=O)n3C)o1 6660497 MYGZPKYJSRYPQD-UHFFFAOYSA-N 276.296 0.905 0 50 CCAA O=C1C[C@]2(CCN(C(=O)c3ccc4n[nH]cc4c3)C2)CN1 334571526 STAAZCMUFJWZOU-OAHLLOKOSA-N 284.319 0.915 0 50 CCAA Nc1ncc(Cl)cc1S(=O)(=O)N1CCCNCC1 238056400 BENJZEZVAYLVSZ-UHFFFAOYSA-N 290.776 0.301 0 50 CCAA Cc1noc(C2CC2)c1C(=O)N[C@H](CO)[C@@H](C)O 822532919 QAAUZIRJOSYHTL-VXNVDRBHSA-N 254.286 0.332 0 50 CCAA Cn1c(=O)nc(O)c2c1ncn2CC(=O)OC(C)(C)C 1857783720 VQFAUVLQXMJPSL-UHFFFAOYSA-N 280.284 0.177 0 50 CCAA O=S(=O)(NC[C@]1(O)CCCNC1)c1ccccc1 534638590 NCYKTLAXPBYACL-LBPRGKRZSA-N 270.354 0.079 0 50 CCAA O=S1(=O)CC[C@@H](NC2CSCCSC2)C1 584892996 RLTWWFKXHOPNET-MRVPVSSYSA-N 267.441 0.612 0 50 CCAA O=C(NCCC(=O)N1CCC1)c1ccc2n[nH]cc2c1 2325727410 BMODTSCDDXQHRX-UHFFFAOYSA-N 272.308 0.915 0 50 CCAA CC[C@H](CO)NC(=O)[C@H]1COc2ccccc2O1 307706 NIPZFDUTMPPYOZ-BXKDBHETSA-N 251.282 0.714 0 50 CCAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4cnco4)C[C@@H]13)O2 2356139017 JRHSNXBYXPMOGQ-YXMPFFBPSA-N 291.351 0.856 0 50 CCAA COc1ccc(C(=O)CCN[C@H](CO)C(=O)O)cc1 4754604 YJNBSQQRRLTMJN-LLVKDONJSA-N 267.281 0.303 0 50 CCAA O=C(C[C@H]1SCCNC1=O)Nc1ccc2c(c1)OCO2 6759976 MHOBEBLBYGELTK-LLVKDONJSA-N 294.332 0.976 0 50 CCAA Cc1cc(C)n(-c2cc(N(CCO)CCO)ncn2)n1 22591041 MGOAKDHRKMKBRV-UHFFFAOYSA-N 277.328 0.070 0 50 CCAA N[C@@]1(C(=O)O)CCN(CCn2c(=O)oc3ccccc32)C1 67772794 HIBQQYZXJVMTKX-AWEZNQCLSA-N 291.307 0.082 0 50 CCAA CC(C)C[C@@H](NC(=O)C1=NNC(=O)CC1)c1ncnn1C 67727378 TYFNZOBGQKHPHP-SNVBAGLBSA-N 292.343 0.285 0 50 CCAA CSc1cccc(-n2c(CCN)n[nH]c2=O)c1 65469946 VJUJOCZVJDNYEQ-UHFFFAOYSA-N 250.327 0.784 0 50 CCAA C=CC(=O)NCCNS(=O)(=O)c1ccccc1 144397818 ZGGPYAQSPKLOSE-UHFFFAOYSA-N 254.311 0.267 0 50 CCAA CN(C)C[C@]1(O)CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 72171174 SHNSHFNXCQVKDW-OAHLLOKOSA-N 292.383 0.816 0 50 CCAA CN(CC(N)=O)C[C@H]1CN([C@@H]2C=CCCC2)CCO1 253398442 QUGLVFIXOJZQIS-OLZOCXBDSA-N 267.373 0.213 0 50 CCAA O=C(O)[C@H]1C[C@H]1C(=O)NCCCc1nnc2ccccn12 362492360 LIGLKWSKVNPUHZ-ZJUUUORDSA-N 288.307 0.499 0 50 CCAA O=C(Cn1cn[nH]c1=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 156353593 YLALRIIYZMLXQV-BZPMIXESSA-N 284.319 0.274 0 50 CCAA CN1C[C@@]2(CCN(C(=O)c3[nH]nc(N)c3Cl)C2)OC1=O 215680252 NAFFIMCKBURRNU-LLVKDONJSA-N 299.718 0.312 0 50 CCAA c1cn2c(CN3CCC[C@H]3Cn3cncn3)cnc2cn1 375829924 LNHPQNUXWUDLLU-LBPRGKRZSA-N 283.339 0.985 0 50 CCAA C[C@@H](CCC(=O)NCCc1noc(CO)n1)N1CCCC1 219949572 YMTROVQBACAXII-NSHDSACASA-N 296.371 0.485 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)NCCc2nc(=O)o[nH]2)n1 333346955 UXZWYMXJZKKPCC-VIFPVBQESA-N 279.300 0.096 0 50 CCAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCc1nccn1C)C2 426677903 XSLRLWPRXFBGFC-PJXYFTJBSA-N 278.356 0.987 0 50 CCAA CCn1cnnc1CCNC(=O)c1cnc(OC)nc1 426488491 ZAIIHHMREOSXEA-UHFFFAOYSA-N 276.300 0.069 0 50 CCAA Cc1onc(C(=O)NCc2noc(C(C)C)n2)c1CO 221173847 SQPMPUSVTJDEPV-UHFFFAOYSA-N 280.284 0.912 0 50 CCAA COCC[C@]1(O)CCN(CCCn2cnnn2)C[C@H]1C 91857987 COKCPKDYOVELGO-CHWSQXEVSA-N 283.376 0.173 0 50 CCAA O=C(N[C@@H]1CCCNC1)c1ccccc1-n1cnnc1 97370247 BTWKANQOZDXXNG-LLVKDONJSA-N 271.324 0.749 0 50 CCAA O=C(O)Cn1ccc(NC(=O)[C@H]2Cc3ccccc3O2)n1 178223708 DFKPWVODOVBBIN-LLVKDONJSA-N 287.275 0.910 0 50 CCAA CCc1n[nH]c(C(=O)N(C)[C@@H](C)CC(=O)NC)c1C 96139657 NEXKTTYREKEMQV-QMMMGPOBSA-N 266.345 0.877 0 50 CCAA CCCn1ncc(C(=O)N[C@@H]2CN[C@H](C(=O)O)C2)c1C 95506617 HBSYYHSUMVUVHS-ONGXEEELSA-N 280.328 0.146 0 50 CCAA COCc1nc(C2CCOCC2)nn1C[C@H]1COCCO1 97743670 XZPDWLZIZAPPSQ-LBPRGKRZSA-N 297.355 0.734 0 50 CCAA CCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 247965764 QKIYMDNBGNAZDY-COWRGJDNSA-N 299.330 0.447 0 50 CCAA CC[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1C(C)C)[C@@H]42)[C@H]3O 244811826 SLSXWDFLKWDBEQ-UIRMDGSSSA-N 251.326 0.985 0 50 CCAA Cc1nc(CCN2CCN(c3nc[nH]n3)CC2)cs1 252502161 UNBOCOOINHFZAW-UHFFFAOYSA-N 278.385 0.934 0 50 CCAA CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H]2OC(C)(C)O[C@H]12 256009205 WNHXYQWRRURBBJ-ZDCRXTMVSA-N 274.269 0.358 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 534666151 JFLNPZZEYLBGIB-GFCCVEGCSA-N 299.334 0.644 0 50 CCAA Cc1nccn1[C@H](C)CC(=O)NCCCn1ccnn1 299788535 USNPMSMUBWFRLV-LLVKDONJSA-N 276.344 0.941 0 50 CCAA CN1CCN(C(=O)C2(Cn3ccnc3)CC2)C[C@@H]1CCO 584890281 UZRAKKATQLKWQK-ZDUSSCGKSA-N 292.383 0.188 0 50 CCAA CCCc1ncncc1C(=O)N[C@H]1CCS(=O)(=O)C1 584893294 MWSJETYKPFUJNK-VIFPVBQESA-N 283.353 0.346 0 50 CCAA O=C1NCC2(CCN(Cc3c[nH]nc3C(=O)O)CC2)O1 828305533 TUYWPOVPFXCOPW-UHFFFAOYSA-N 280.284 0.182 0 50 CCAA CS(=O)(=O)Nc1ccc([C@H]2C[C@@H](N)CCN2)cc1 757208858 DZTFKLTVCIFNKK-CMPLNLGQSA-N 269.370 0.810 0 50 CCAA O=C(NCC1CCN(CCO)CC1)[C@@H]1CC12CC2 952968593 MJRFPWRVISUCEW-LBPRGKRZSA-N 252.358 0.607 0 50 CCAA Cc1nc(NCc2nc(O)n[nH]2)cc([C@H]2C[C@H](N)C2)n1 885939219 WZERVNDMXKVACD-ZKCHVHJHSA-N 275.316 0.426 0 50 CCAA COC(=O)[C@]1(NC(=O)c2ccc(O)cc2F)C[C@@H](O)C1 1548774611 VRYBHMXTQQCRKG-KTLJEJPDSA-N 283.255 0.328 0 50 CCAA COc1ncc(CN2CCO[C@@H]3CCN(C)C[C@H]32)c(C)n1 408037464 DUWHWERHBNISEA-ZIAGYGMSSA-N 292.383 0.699 0 50 CCAA CCn1cc(S(=O)(=O)N(C)[C@H](C)C[S@](C)=O)cn1 274646912 BDXGKVHHCQDGQZ-XLFHBGCDSA-N 293.414 0.291 0 50 CCAA C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C(=O)O)C2)CCO1 720476146 PGUDHTPCBPJHRU-OPRDCNLKSA-N 256.302 0.670 0 50 CCAA CN(Cc1nc[nH]n1)C(=O)[C@@]1(C(=O)O)CC=CCC1 653289392 RIYCGVKRBJTNLF-GFCCVEGCSA-N 264.285 0.574 0 50 CCAA CC(C)(C)OC(=O)N1CC(CN2CC[C@@H](C(N)=O)C2)C1 585079876 XFBVDFWCXQKTJB-LLVKDONJSA-N 283.372 0.661 0 50 CCAA O=C(NOC[C@@H]1CCOC1)[C@@H]1CSCCS1 788576359 UVMGTNYGJHIISS-BDAKNGLRSA-N 263.384 0.919 0 50 CCAA O=C(NC1(C(=O)O)CC1)c1cccc2c1OCCO2 203652481 UVTZTFGGOLVDFQ-UHFFFAOYSA-N 263.249 0.805 0 50 CCAA Cc1nncn1CCN(CCO)Cc1ccco1 1506419272 YMZLANZOTMLOIM-UHFFFAOYSA-N 250.302 0.674 0 50 CCAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(C)=O)cc1OC 1529186436 ZGFJVCOHHVAQLR-HUUCEWRRSA-N 295.335 0.985 0 50 CCAA O=S(=O)(C1COC1)N1CCCC2(CCOCC2)C1 330184210 QNDMRCSFXLYPPY-UHFFFAOYSA-N 275.370 0.608 0 50 CCAA CO[C@H]1C[C@@H](N(C)S(=O)(=O)C2COC2)C12CCC2 333057271 HSDWIUGAARBXTR-MNOVXSKESA-N 275.370 0.604 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)CCCn1cncn1 238062159 GOAUKYATFIENCL-VIFPVBQESA-N 252.274 0.134 0 50 CCAA CC(C)CS(=O)(=O)N1CCC[C@@H]1c1nncn1C 162599210 NJZCHAWNYPNKLW-SNVBAGLBSA-N 272.374 0.938 0 50 CCAA Cc1cc(C(=O)O)nc(N[C@H]2CCS(=O)(=O)C2)n1 231947045 GAPMPOUIWXYSSA-ZETCQYMHSA-N 271.298 0.082 0 50 CCAA CC1(C)CNC(=O)C2(CCN(c3cnccn3)CC2)NC1 1772807010 HUFZJPAXDJZWKV-UHFFFAOYSA-N 289.383 0.561 0 50 CCAA CN1C[C@@H]2CCCN(C(=O)c3cc4ncccn4n3)[C@@H]2C1 633492082 XUMDCZJTQGQEHI-WCQYABFASA-N 285.351 0.896 0 50 CCAA CC(C)[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)O 262354518 BRQLLTXCIYJHHA-JTQLQIEISA-N 287.341 0.217 0 50 CCAA CO[C@@H]1CN(C(=O)N=c2ccc(C3CC3)n[nH]2)CCO1 585119987 DWBQVXLMBBKTNK-LBPRGKRZSA-N 278.312 0.613 0 50 CCAA C[C@](O)(C(=O)N[C@@H]1CC[S@](=O)C1)c1cccc(F)c1 1875261934 OLZDYQRDEJKSIL-MVBJNABHSA-N 285.340 0.670 0 50 CCAA O=C(NCCCc1nc(O)n[nH]1)[C@@H]1OC[C@@H]2CCC[C@@H]21 879032727 CHYMSDBIYMLLAT-ATZCPNFKSA-N 280.328 0.374 0 50 CCAA CCn1nnc(C)c1CN[C@H]1CCO[C@@H]1c1cc[nH]n1 888077247 WDVWLWQLPNZJER-GWCFXTLKSA-N 276.344 0.949 0 50 CCAA CC[C@H](NC(=O)[C@H]1CCNCC1(F)F)C(=O)OC 343409613 APPSMRPOZOOILN-SFYZADRCSA-N 264.272 0.299 0 50 CCAA Cc1ncncc1C(=O)NC[C@@H](O)c1ccc(O)cc1 97784827 USQNJLBCBSHVDV-CYBMUJFWSA-N 273.292 0.954 0 50 CCAA Cn1c(CCN)nnc1SCCc1ncc[nH]1 426716298 ZVKLRAXEXPXTKJ-UHFFFAOYSA-N 252.347 0.374 0 50 CCAA CN1C[C@H](NC(=O)CCc2cn[nH]c2)CCC1=O 629964077 VXVZGDHQEFFNBW-SNVBAGLBSA-N 250.302 0.079 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCC(c2cc[nH]n2)CC1 952970521 VYZMNMKFTOQHQT-UHFFFAOYSA-N 285.369 0.550 0 50 CCAA Cn1ncn(NC(=O)c2cc(C3CCC3)no2)c1=O 2325786978 PZSVKYQUWWWMNC-UHFFFAOYSA-N 263.257 0.221 0 50 CCAA O=C1NCc2ccc(CNC(=O)[C@H]3CCc4nccn43)cc21 2325890800 SWWILSIVWQXCTN-CYBMUJFWSA-N 296.330 0.930 0 50 CCAA CC(C)(CO)Nc1nc(Cl)nc(N2CCOCC2)n1 197166 MBVRGGMTVLFZDU-UHFFFAOYSA-N 287.751 0.544 0 50 CCAA O=C(NC[C@H](O)c1cccc(O)n1)c1ncccc1O 2356143747 VOBUKFCDUYOFQY-JTQLQIEISA-N 275.264 0.351 0 50 CCAA O=C1NC(=O)[C@]2(CCS(=O)(=O)c3ccc(F)cc32)N1 2635396 YTHRHFDCECODBU-LLVKDONJSA-N 284.268 0.038 0 50 CCAA NC(=O)[C@@]1(O)CCN(C(=O)c2ccc(-n3cccc3)cc2)C1 319214931 QXZWHEKGMHQSPU-MRXNPFEDSA-N 299.330 0.540 0 50 CCAA CC[C@H](CO)N/C=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 106946805 LROUTNNHRFNVJD-FWXOOFNASA-N 297.351 0.588 0 50 CCAA CCc1nnc(NC(=O)[C@@H]2CCNC(=O)C2)s1 130276054 MSIDINNCHFUIOG-ZCFIWIBFSA-N 254.315 0.565 0 50 CCAA CCONC(=O)Cn1nnc(-c2ccc(C)cc2)n1 124254143 LGYHKAICMMWDFL-UHFFFAOYSA-N 261.285 0.716 0 50 CCAA CC(C)CN1C[C@H](C(=O)N(C)CCc2cn[nH]c2)CC1=O 67805661 HXLTYTWDXMMECT-CYBMUJFWSA-N 292.383 0.915 0 50 CCAA C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)CS(C)(=O)=O 331227025 YJLFYFBKSTUYJP-ZWNOBZJWSA-N 297.376 0.882 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2ccncc2Cl)C1 284692395 YDKYHFQFFJORHX-XVKPBYJWSA-N 255.705 0.814 0 50 CCAA CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1CN)N1CCCC1=O 236872114 QEKRXNUEEFTZLE-IJLUTSLNSA-N 267.373 0.631 0 50 CCAA O=C1C[C@H](NC(=O)Nc2c[nH]nc2-c2nccs2)CN1 446382004 IGABGCKNBHKGEC-LURJTMIESA-N 292.324 0.543 0 50 CCAA O=C(Cc1noc2ccccc12)N1CCOC[C@@H](CO)C1 77321899 RHNYHZSQONDUIT-LLVKDONJSA-N 290.319 0.838 0 50 CCAA CN1CCO[C@@H]2CN(C(=O)c3noc4c3CCCC4)C[C@@H]21 152796782 UKYLBSKYVBQYSR-WCQYABFASA-N 291.351 0.708 0 50 CCAA COCCN(Cc1ccco1)C(=O)[C@@H]1C[C@H](OC)CN1C 343727742 HJYJDXRIVJJDGD-KBPBESRZSA-N 296.367 0.974 0 50 CCAA O=c1c2nnc3ncnn3c2ccn1-c1ccccc1 71376481 MCHQJMBGLQACLD-UHFFFAOYSA-N 264.248 0.823 0 50 CCAA CC(C)C(=O)Nn1ccc2c(cnc3ncnn32)c1=O 36125520 KRVAYGNKYAOPCU-UHFFFAOYSA-N 272.268 0.165 0 50 CCAA CCOP(=O)(CN(CCO)CCO)OCC 71782799 CCJKFLLIJCGHMO-UHFFFAOYSA-N 255.251 0.497 0 50 CCAA O=C(O)C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O 218713770 VTOAAUVSJJTBGZ-VIFPVBQESA-N 266.228 0.721 0 50 CCAA COCc1ccc(C(=O)N2CCO[C@@H](C(=O)O)C2)o1 262926584 FQGBAHOXRRMRES-SNVBAGLBSA-N 269.253 0.352 0 50 CCAA CN(C(=O)c1cn(-c2ccc(F)cc2)nn1)[C@H]1CCNC1 179072745 OLOPWKJTTMUOOY-LBPRGKRZSA-N 289.314 0.840 0 50 CCAA O=C(Cn1cc(Cl)cn1)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 616776528 FIFGQQRMAVHPEW-HOSYDEDBSA-N 295.730 0.224 0 50 CCAA C[C@H](CCC(=O)NCCc1cnn[nH]1)N1CCCC1 426431062 KYCHLFDJJHJVOQ-LLVKDONJSA-N 265.361 0.728 0 50 CCAA COc1nn(C)c(C)c1NC(=O)NCCc1ncnn1C 96149200 AUZWDQZUZDGHMW-UHFFFAOYSA-N 293.331 0.230 0 50 CCAA C[C@@H](O)CNC(=O)CNC(=O)OCc1ccccc1 95495752 GHCLOAOGFCFUAF-SNVBAGLBSA-N 266.297 0.410 0 50 CCAA O=S1(=O)CCC(Cc2nc([C@H]3CCOC3)no2)CC1 96137431 LAHAYYGQLNLGBB-JTQLQIEISA-N 286.353 0.941 0 50 CCAA O=C1NCCN1CCNC(=O)C1(c2ccc(F)cc2)CC1 91574138 OXQHDWQIJSDMGB-UHFFFAOYSA-N 291.326 0.999 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)c2ccccc2-n2cnnn2)C1 238096726 UETAVXKTSNOHHM-VIFPVBQESA-N 287.279 0.209 0 50 CCAA CCN(CCC(=O)Nc1nccs1)[C@H]1COC[C@@H]1O 244787848 QESHGVAKIGDZTP-UWVGGRQHSA-N 285.369 0.553 0 50 CCAA CCc1nc(CCNC(=O)C[C@H](C)NC(C)=O)no1 244774262 PQVSSXGXVXHYKU-QMMMGPOBSA-N 268.317 0.205 0 50 CCAA CCc1n[nH]c([C@@H]2CN([C@H]3CCOC3=O)CCO2)n1 299754213 TTWGZMHKVSUPBG-IUCAKERBSA-N 266.301 0.056 0 50 CCAA N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(CO)cc1)C2 534655221 QUXMXXXCGAOPNA-FOLVSLTJSA-N 274.364 0.917 0 50 CCAA CNC(=O)CCc1ccccc1NC(=O)COC 824313283 ZNIQWZDAWKVTMW-UHFFFAOYSA-N 250.298 0.950 0 50 CCAA COc1cc(C)ccc1S(=O)(=O)N[C@H]1COC[C@@H]1O 584898349 MKHPAQWIBMNDMF-UWVGGRQHSA-N 287.337 0.042 0 50 CCAA CCN1CCC2(CCCN(C[C@@H](O)CO)C2)CC1 828655349 SWDQKHVMPLVBTM-CYBMUJFWSA-N 256.390 0.538 0 50 CCAA C[C@H]1CN(C(=O)[C@H](C)Cn2cncn2)C[C@@H](C)O1 820619808 JIYWOYUCUIGUMI-MXWKQRLJSA-N 252.318 0.550 0 50 CCAA CN1C(=O)N(C)C2(CCN(C[C@H]3CCOC3)CC2)C1=O 670463584 MLBVVZWUMFNTQW-LLVKDONJSA-N 281.356 0.381 0 50 CCAA CC[C@@H](C)C(=O)N[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1875286453 UEJXBGDQZRIYOU-NXEZZACHSA-N 264.329 0.688 0 50 CCAA COc1cccc2c1OC[C@@H](N[C@H]1CCCNC1=O)C2 1875262561 WUDULQSBAFXLAI-RYUDHWBXSA-N 276.336 0.867 0 50 CCAA CC(C)N(C)C(=O)N1CCC(O)(C(F)(F)C(=O)O)CC1 1875279676 HSYWMIXAAFBKES-UHFFFAOYSA-N 294.298 0.993 0 50 CCAA O=C(N[C@@H]1CCc2ccccc21)[C@@H](O)CN[C@@H]1CCOC1 1875308813 YRNNQFQDVPCZIA-YUELXQCFSA-N 290.363 0.530 0 50 CCAA Nc1ccnc(C(=O)NS(=O)(=O)c2ccccc2)c1 1875340039 JDVWNBBCLRFHHE-UHFFFAOYSA-N 277.305 0.783 0 50 CCAA C[C@@H](C(=O)NC[C@@H]1CC[C@H]2COCC[C@@H]2C1)n1cnnn1 1875307850 NEASICMMWRTMCK-LOWDOPEQSA-N 293.371 0.803 0 50 CCAA c1nc2n(n1)[C@H](Cn1cc([C@@H]3CCOC3)nn1)CC2 1331885494 ZZAHRMQIAYYXTP-ZJUUUORDSA-N 260.301 0.561 0 50 CCAA CNC(=O)c1n[nH]c(-c2cc(OC)ccc2OC)n1 952989458 MQGPVXPDDSOXCM-UHFFFAOYSA-N 262.269 0.849 0 50 CCAA NC1=CCN(C(=O)c2cccc([C@H]3CCOC3)c2)N1 887556527 YKXKNHIFHZOTTK-LBPRGKRZSA-N 259.309 0.951 0 50 CCAA CCC1(CC)CNC(=O)[C@H]1NC(=O)c1n[nH]c2c1CCC2 886721369 XASQFAKKSLLOII-GFCCVEGCSA-N 290.367 0.933 0 50 CCAA Clc1cnc(NCC23COCCN2CCOC3)nc1 894802996 VAVQFAUGOJSBPC-UHFFFAOYSA-N 284.747 0.643 0 50 CCAA C[C@@H]1NC(=O)N(CCS(=O)(=O)Cc2ccccc2)C1=O 272108927 QBIBHMLDNAELME-JTQLQIEISA-N 296.348 0.542 0 50 CCAA Cc1cnc(CN2CCC[C@H](S(N)(=O)=O)C2)cn1 408196524 CZSFTGDMNKOHLR-NSHDSACASA-N 270.358 0.038 0 50 CCAA O=C1C[C@@H](C(=O)N2CCN(c3ccccc3O)CC2)CN1 110367115 VGGGJAFRTQZCIV-LLVKDONJSA-N 289.335 0.177 0 50 CCAA CC(C)n1cnc(C(=O)NC(C)(C)CC(N)=O)c1 282477287 VBIRMVFQSUCFMK-UHFFFAOYSA-N 252.318 0.848 0 50 CCAA O=C(CNC(=O)c1ccc(F)cc1F)O[C@@H]1CCNC1=O 769954664 VRICOCNMZVUBBS-SNVBAGLBSA-N 298.245 0.126 0 50 CCAA C[C@H](O)CN1CCN(Cc2ccc(=N)[nH]c2)C[C@@H]1C 647515837 TWPHQRLFXZLJKI-RYUDHWBXSA-N 264.373 0.381 0 50 CCAA O=C(O)[C@H]1CCCCN1C(=O)c1ccc2c(n1)OCCO2 653471325 DJQWFBSETDRUIK-SNVBAGLBSA-N 292.291 0.932 0 50 CCAA CCCCNC(=O)[C@H](C)N1CCC(=O)N(C)CC1 585094430 AOIICOMSXPRXOR-NSHDSACASA-N 255.362 0.455 0 50 CCAA CSC[C@@H](C)C(=O)N1CCN(c2n[nH]c(C)n2)CC1 585130177 JXTXCTBXCPBYPT-SECBINFHSA-N 283.401 0.761 0 50 CCAA O=C(O)CC1CCN(C(=O)[C@H](O)c2cccnc2)CC1 738562185 OLSUKNOREFASQK-CYBMUJFWSA-N 278.308 0.828 0 50 CCAA O[C@]1(c2cnn[nH]2)CCN(Cc2ccc3c[nH]nc3c2)C1 794016861 SYDVXOMQTOCUJX-CQSZACIVSA-N 284.323 0.775 0 50 CCAA Cn1ncc2c(N)nc(N[C@H]3CCC[C@@H](CO)C3)nc21 1506424679 BHHNKEUGDZTGJU-BDAKNGLRSA-N 276.344 0.909 0 50 CCAA C[C@H](CN1CCCC1)CN(C)C(=O)CCS(C)(=O)=O 1506423587 GKCRUHKXOYOJDX-LBPRGKRZSA-N 290.429 0.611 0 50 CCAA CN1C[C@@H](CN(C)c2ccc(C(=O)O)nn2)CC1=O 1506423764 ILIBZJVABAGSNJ-MRVPVSSYSA-N 264.285 0.089 0 50 CCAA COc1ncccc1CN1CCN(C)[C@@H](CCO)C1 19798927 RDBHVISFPRRWEN-ZDUSSCGKSA-N 265.357 0.589 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)C1 218277699 SUABWNIAZXVRRD-NXEZZACHSA-N 276.358 0.370 0 50 CCAA O=C(c1cnc(N2CCOCC2)nc1)C1CCOCC1 1772808647 WYCPIMKLFMVDKV-UHFFFAOYSA-N 277.324 0.923 0 50 CCAA CN(C)C[C@@]12CNC[C@H]1CN(c1nccs1)C2 1772710057 UTKGDYWSESNPQA-CMPLNLGQSA-N 252.387 0.731 0 50 CCAA C[C@H]1CN(C(=O)C2(O)CCCC2)CCS(=O)(=O)C1 365339831 ACFZYOBOGJGMMY-JTQLQIEISA-N 275.370 0.185 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1C(=O)Cc1cccnc1 367375487 TVRPTNPFWAKAQQ-RYUDHWBXSA-N 251.305 0.783 0 50 CCAA O=C([C@H]1CCCN1)N1CC[C@@](O)(C(F)(F)F)C1 261547887 IUZFQMBRZIYVDT-APPZFPTMSA-N 252.236 0.264 0 50 CCAA Nc1cncc(N2CCC[C@H](CN3CCCC3=O)C2)n1 1857678048 AKPGAHQEVNTYNH-NSHDSACASA-N 275.356 0.898 0 50 CCAA O=C(COCC1CC1)N1CCC[C@](O)(Cn2ccnn2)C1 671472278 YSSKWRPYAWGLHP-CQSZACIVSA-N 294.355 0.058 0 50 CCAA CCCCNC(=O)[C@@H](C)N1CC[C@](O)(Cn2ccnn2)C1 585081588 SWEIXEUKSCLNTN-TZMCWYRMSA-N 295.387 0.020 0 50 CCAA C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C(F)(F)F 913020029 NZHMWOQBGWIBDW-WDSKDSINSA-N 253.224 0.597 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@H]1Cc2ccccc2O1 858414706 GKWLTTPKYUBSNV-GFCCVEGCSA-N 274.320 0.751 0 50 CCAA CSCC[C@H](N)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 237306881 LBCOABMICYISHO-QJPTWQEYSA-N 288.413 0.473 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)c3ncccc3O)[C@@H]2C1 285070796 RLXBLCHNFGPTCN-PWSUYJOCSA-N 277.324 0.332 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)c2cc(C)[nH]n2)C1 630249463 MYPKSRRMSHQCAJ-LLVKDONJSA-N 253.258 0.034 0 50 CCAA Cn1c(CN2CCN3CCOC[C@@H]3C2)nnc1C1CC1 375243636 ZTVWNFDPLJMFJJ-LBPRGKRZSA-N 277.372 0.209 0 50 CCAA O=C(c1ccc2cnnn2c1)N1CCC[C@@H]1c1nc[nH]n1 2325781493 WGCLJPHZSXDWJW-LLVKDONJSA-N 283.295 0.825 0 50 CCAA CC1(C)CCN(C[C@H](O)C2(O)CCOCC2)[C@@H]1C(=O)O 2325803179 VXWILDVSFAZPNK-WDEREUQCSA-N 287.356 0.074 0 50 CCAA CCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 41592 QHJFKRWGEAYQQX-UHFFFAOYSA-N 291.355 0.824 0 50 CCAA biogenic O=C(O)CN1CCc2nc(C3CCOCC3)nn2CC1 2356135603 LVAHMKBJYZPZOH-UHFFFAOYSA-N 280.328 0.115 0 50 CCAA OC[C@@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)C[C@@H]1O 4557041 WACLJMMBCDNRJE-LYFYHCNISA-N 268.298 0.130 0 50 CCAA O=C(CN1CCSC1=O)N[C@H]1CCN2CCCC[C@H]12 225173292 SMCHGFZGKWDNBT-WDEREUQCSA-N 283.397 0.898 0 50 CCAA CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1 110355471 ZYCADLXTHHOGAQ-NSHDSACASA-N 289.335 0.899 0 50 CCAA CCOC(=O)[C@H](Cc1ccccc1)N1C[C@@H]1C(N)=O 55425291 HLOLXTJETWRSPL-QXNREYOVSA-N 262.309 0.330 0 50 CCAA COCc1ccc(C(=O)N[C@H]2C[C@H]3CN(C)CCN3C2)o1 67867223 WLVKDIXTIILPDC-RYUDHWBXSA-N 293.367 0.544 0 50 CCAA CCOC(=O)CCNC(=O)[C@@H]1CCCCCN1C 65370302 IOSJJLNDZYVZNX-NSHDSACASA-N 256.346 0.930 0 50 CCAA CCc1nccn1CC(=O)NC[C@H]1CCCN(C)C1 67819109 OYJMRMNVFYYDGL-GFCCVEGCSA-N 264.373 0.904 0 50 CCAA C[C@H](NC(=O)[C@@H]1CCC[C@H]1CN)C(=O)N1CCCC1 252682472 CCJGRSLMJBTTLW-SDDRHHMPSA-N 267.373 0.489 0 50 CCAA COCCNC(=O)c1cn2c3c(cccc3c1=O)CC2 33088719 OYWVNZDGEJXYCP-UHFFFAOYSA-N 272.304 0.934 0 50 CCAA C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 328640168 XFVLYGINABZGBI-UPJWGTAASA-N 292.383 0.660 0 50 CCAA Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1O 432564886 FOHCPSYMNQUQAG-ZMJPVWNMSA-N 293.367 0.917 0 50 CCAA O=C(N[C@H]1CC[C@H](O)CC1)c1csc(-c2nc[nH]n2)n1 331936030 LXVPXEPDUUCQQA-ZKCHVHJHSA-N 293.352 0.962 0 50 CCAA Cc1cccn2c(F)c(C(=O)N3CC[C@@H](O)C3)nc12 426489895 JLTWOEGHLOUAMJ-SECBINFHSA-N 263.272 0.989 0 50 CCAA Cc1cc(C(=O)N(C)Cc2ncon2)c(=O)n(C)c1C 426387310 RCCAJRNLYUVQFA-UHFFFAOYSA-N 276.296 0.657 0 50 CCAA Cc1coc(C)c1C(=O)N1CC[C@@](O)(c2c[nH]nn2)C1 284510588 FBIYPYBZCYQGSG-ZDUSSCGKSA-N 276.296 0.748 0 50 CCAA C[C@H](C(=O)NCCCc1nn[nH]n1)N1CCCCC1 426490634 OEUSUPJJSSEXFR-SNVBAGLBSA-N 266.349 0.123 0 50 CCAA Cc1ccc(CN2C[C@H](CO)[C@H](CN(C)CCO)C2)cc1 91907175 CCHMDNXNNZTSJP-IAGOWNOFSA-N 292.423 0.959 0 50 CCAA O=C1NCC2(CCN(C(=O)NCCc3cnc[nH]3)CC2)O1 426551948 HTMIKQVSXXAFHG-UHFFFAOYSA-N 293.327 0.236 0 50 CCAA COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(CC(C)C)C(=O)[C@H]13)O2 239173706 OMGBOXKFVDXULF-PUHVVEEASA-N 265.309 0.597 0 50 CCAA CCN(CC)CC1(NC(=O)Cc2c(O)n[nH]c2C)CC1 534633082 ULGLDRCQCGCCGV-UHFFFAOYSA-N 280.372 0.957 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccccc1Cl 299798179 WICZTCFPPFRHQE-PWSUYJOCSA-N 267.760 0.988 0 50 CCAA O=C(CN1CCCCCC1)N1C[C@H](O)[C@@H](N2CCCC2)C1 584884742 UZHCVLHDOWBGER-GJZGRUSLSA-N 295.427 0.530 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)CSc1ccccn1 824506724 OVVDQXHIDXVMCP-UWVGGRQHSA-N 268.338 0.704 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)Cc2ccccc2O)C1 584897394 QAVRZIGXMZWWFB-CYBMUJFWSA-N 292.379 0.971 0 50 CCAA COCc1noc(CNC(=O)CCc2ccncc2)n1 670449833 WMIPBBHYLKFZCT-UHFFFAOYSA-N 276.296 0.860 0 50 CCAA COC(C)(C)CCNC(=O)[C@H]1CCCN(C(N)=O)C1 871251064 JHDHMFVXNDXQOQ-JTQLQIEISA-N 271.361 0.708 0 50 CCAA CN(C)C[C@]1(CO)CCCN(C[C@@H]2[C@H]3CNC[C@H]32)C1 952970517 DVISDXUNADJHOF-CBBWQLFWSA-N 267.417 0.088 0 50 CCAA CCC1(CC)CN(C(=O)[C@@H]2CCCN2C(N)=O)CCO1 952987041 IQWWPQAQHNYWJA-NSHDSACASA-N 283.372 0.947 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCc1ccccn1 1565511125 WOYHODLAQXCALO-UKMLZYKCSA-N 289.379 0.848 0 50 CCAA COCC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 408521592 ZWMYXKIZCVRNCU-UHFFFAOYSA-N 288.344 0.121 0 50 CCAA O=C(CN1CCO[C@H](CO)C1)NC1CCCCCCC1 170022457 WFQUMRNVIHEMLD-AWEZNQCLSA-N 284.400 0.909 0 50 CCAA C[C@H](O)CN1CCN(C(=O)Cc2ccoc2)CC1 189722651 AMWJYGSCINUZJY-NSHDSACASA-N 252.314 0.347 0 50 CCAA NS(=O)(=O)C[C@H]1CCCCN1C(=O)OC1CCC1 585135217 QOMSMQHWMQBCIN-SECBINFHSA-N 276.358 0.819 0 50 CCAA CCn1ccc(CC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)n1 653289354 PXJCASOBSSNGDJ-TUAOUCFPSA-N 277.324 0.910 0 50 CCAA C[C@@H](O)[C@H](N)C(=O)N(C)CCOc1cccc(Cl)c1 1506425565 POQYJJCAYVSOCU-SKDRFNHKSA-N 286.759 0.885 0 50 CCAA Cc1cc(C(=O)N2CCOC[C@H]2C(=O)O)sn1 1875272115 HCWIZDFWGQHLQP-ZETCQYMHSA-N 256.283 0.377 0 50 CCAA CSc1nc(N)cc(N2CCN3C(=O)OC[C@@H]3C2)n1 1506409547 RLVRNWWIJZLCBR-ZETCQYMHSA-N 281.341 0.422 0 50 CCAA C[C@H](CC(N)=O)N(C)Cc1nc(C(F)(F)F)no1 1506424759 MZPFNCNBVDTZPU-RXMQYKEDSA-N 266.223 0.784 0 50 CCAA CN(CCCO)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529147111 UJKFBMFQEFWYSK-KGLIPLIRSA-N 292.335 0.084 0 50 CCAA CN1CCOC2(CCN(c3nc(C(N)=O)cs3)CC2)C1 1772807290 LXHCJQGXIUNWEP-UHFFFAOYSA-N 296.396 0.543 0 50 CCAA NC(=O)c1cnc(C(=O)NCc2ccsc2)cn1 1772712357 KQAABCLTWUGEMT-UHFFFAOYSA-N 262.294 0.567 0 50 CCAA CCCNS(=O)(=O)c1cc(C(=O)NC)ccc1OC 14291903 XJZUYBIOUUWMPF-UHFFFAOYSA-N 286.353 0.743 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](N(C)CCCN(C)C)C1 15061821 GDVLFYJHNSFILO-CYBMUJFWSA-N 291.461 0.684 0 50 CCAA NC[C@@H]1CN(C(=O)c2ccc3sc(N)nc3c2)CCO1 19770676 XXZZBDVUJVMPKN-SECBINFHSA-N 292.364 0.678 0 50 CCAA Nc1nc(SCC(=O)NCc2ccc(F)cc2)n[nH]1 6415150 VBVSLANOLBPPQN-UHFFFAOYSA-N 281.316 0.935 0 50 CCAA C[C@@H]1CN(c2ncnc(N)c2Cl)C[C@H](CO)O1 225490354 UHMFEGWHLFCHSQ-RNFRBKRXSA-N 258.709 0.298 0 50 CCAA COc1ccc(CC(=O)N2CC[C@@H](OC)C2)nc1 330772667 WOWFHPPUJYGKIJ-GFCCVEGCSA-N 250.298 0.880 0 50 CCAA O=C(O)[C@H]1CCCN1CCNS(=O)(=O)c1ccccc1 238099150 QRCOVKWCURKSIG-GFCCVEGCSA-N 298.364 0.514 0 50 CCAA O=C(O)CNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 238188640 ACPPKMFRAYDYHH-JTQLQIEISA-N 296.710 0.894 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 239415454 UMRDXBPZTJBZPP-YXMPFFBPSA-N 286.287 0.448 0 50 CCAA in-vitro O=C(O)[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)CCO1 262084308 KRFILSKIZQPYJH-LBPRGKRZSA-N 293.323 0.924 0 50 CCAA CN(C[C@H]1CCCO1)C[C@@H]1CN=C(c2cnn(C)c2)O1 929287962 MOKWDLVSTBPNIP-OLZOCXBDSA-N 278.356 0.676 0 50 CCAA CCCC[C@H](NC(=O)c1cc2n(n1)CCO2)C(=O)O 863981919 VLDYJRNLLJIKKI-QMMMGPOBSA-N 267.285 0.649 0 50 CCAA O=C(NC[C@@H]1CCO[C@@H]1c1nc[nH]n1)c1ncccc1F 952889124 UODOKSWXKHPVHE-KWQFWETISA-N 291.286 0.846 0 50 CCAA C[C@@H](O)c1cn([C@H]2CCCN(c3cnn(C)c3)C2=O)nn1 881299486 LSSNIKPEOAPWBJ-SKDRFNHKSA-N 290.327 0.433 0 50 CCAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)C1=NN(C)C(=O)CC1 263517942 PNAZNEIJBXEDRP-DTWKUNHWSA-N 281.312 0.306 0 50 CCAA COC[C@H]1CN(C(=O)c2ccc(F)cn2)CCO1 182468968 STQLBYMEBAAZCU-SNVBAGLBSA-N 254.261 0.708 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cccc2c[nH]nc12 334594636 DNDIHNVBVWXELT-LDYMZIIASA-N 272.308 0.960 0 50 CCAA CCN1CCN(C(=O)[C@@H]2CCC(=O)N(CC)C2)[C@@H](C)C1 2325754184 LBXMBQGSJDDQBU-QWHCGFSZSA-N 281.400 0.798 0 50 CCAA O=C(O)C12CC(C(=O)NCCN=c3ccc(F)c[nH]3)(C1)C2 2325779110 HQGWDXIRDKQTJG-UHFFFAOYSA-N 293.298 0.426 0 50 CCAA CN1C[C@H](N(C)c2cc(-n3ccnc3)ncn2)CCC1=O 895953904 SJCYDXWKIIWTPT-LLVKDONJSA-N 286.339 0.719 0 50 CCAA O=S(=O)(c1cc(F)ccc1F)N1CCOCC1 6731716 MXXWUDRUGKQAIX-UHFFFAOYSA-N 263.265 0.986 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)c1ccc(C(=O)O)o1 132759176 BOZYUHHSTXHENZ-UHFFFAOYSA-N 266.253 0.328 0 50 CCAA Cc1ccn2c(=O)c(C(=O)N[C@H](C)c3ncn[nH]3)cnc2c1 20472648 PCJAIEBRJOHIQI-SECBINFHSA-N 298.306 0.612 0 50 CCAA Cc1cc(NC(=O)CN2C[C@H](C)OC[C@H]2C)n(C)n1 248047468 QDKQUCUZQLIMTO-MNOVXSKESA-N 266.345 0.776 0 50 CCAA COc1cc(N2CCC(O)(CN3CCCC3)CC2)ncn1 65496920 OKEGOBGMMTZDLH-UHFFFAOYSA-N 292.383 0.912 0 50 CCAA CCN(CCC(=O)O)C(=O)[C@H]1CCN(C)C(=O)C1 137948011 UOZOCTVJGVVXNV-VIFPVBQESA-N 256.302 0.178 0 50 CCAA c1nc(N2CCN(CCn3cncn3)CC2)c2cc[nH]c2n1 77504858 JVODUDKSSXHWPL-UHFFFAOYSA-N 298.354 0.372 0 50 CCAA CCCn1cnnc1[C@H](C)NC(=O)c1noc(C)c1CO 219221504 DRXSVSFSVUTWIM-QMMMGPOBSA-N 293.327 0.968 0 50 CCAA CNc1nc(C(=O)N2CCC[C@@](O)(CO)C2)cs1 72151807 AOLGERPEWOYDRH-NSHDSACASA-N 271.342 0.144 0 50 CCAA CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 36122912 ZQFRCYHPLHPYRM-UHFFFAOYSA-N 276.308 0.901 0 50 CCAA CCn1ccnc1C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C 330133826 MDRNAQHRYGOIOJ-JJQCHNSYSA-N 269.370 0.885 0 50 CCAA CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 154499560 XAAUHRXDRLNFFL-UHFFFAOYSA-N 258.325 0.879 0 50 CCAA C[C@H](NC(=O)COCC(F)(F)C(F)F)c1ncnn1C 219785146 YQPPCKNZYWQUIX-LURJTMIESA-N 298.240 0.909 0 50 CCAA CCN(C[C@H]1CCCNC1)[C@H]1CCS(=O)(=O)C1 261542239 OCLDYOOVPYGQBX-RYUDHWBXSA-N 260.403 0.495 0 50 CCAA Cc1cc(C)n([C@H](C)CC(=O)N2CCOC[C@@H]2C(=O)O)n1 262412102 BKJKUNKIRRCQRR-VXGBXAGGSA-N 295.339 0.763 0 50 CCAA CC[C@@H](NC(=O)CCn1cnnn1)c1ccnn1C 219048381 WADMQCLSNGGBJA-SECBINFHSA-N 263.305 0.064 0 50 CCAA COc1ccc(C(=O)N2CC[C@@](O)(CN(C)C)C2)cc1O 72174317 RZPCGKNXHAESGK-OAHLLOKOSA-N 294.351 0.539 0 50 CCAA O=C(O)[C@H]1CCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 238091582 ULPVJRSSXBDZEY-YNEHKIRRSA-N 296.367 0.705 0 50 CCAA O=C1C[C@@]2(CCN(Cc3cccc4nonc34)C2)C(=O)N1 82092273 HOEVVZQDPKGWEH-CQSZACIVSA-N 286.291 0.461 0 50 CCAA COCc1noc(CNc2cc([C@H]3CCOC3)ncn2)n1 426465454 NKQGVGUNYMAQDU-VIFPVBQESA-N 291.311 1.122 0 50 CCAA Cc1cc(CC(=O)N2CCC(c3nc(N)n[nH]3)CC2)on1 426530385 HMOWXEBTMRHPRN-UHFFFAOYSA-N 290.327 0.632 0 50 CCAA CC(C)c1cc(C(=O)N2CC(N3CCOCC3)C2)no1 82157543 CCVCZPDMYHBAFE-UHFFFAOYSA-N 279.340 0.955 0 50 CCAA CN(CCN1CCOCC1)C(=O)C[C@@H]1CCCOC1 193088803 DUWHNOKKMWACBL-ZDUSSCGKSA-N 270.373 0.594 0 50 CCAA CCCn1cc(S(=O)(=O)N2C[C@@H](C)[C@@](C)(O)C2)cn1 92062298 HLNRUXBRNNKTDS-PWSUYJOCSA-N 287.385 0.685 0 50 CCAA CN(C)C[C@@H]1CN(C(=O)c2ccc(CO)cc2)C[C@@H]1CO 91587302 NRUKRIZDIJABRA-HUUCEWRRSA-N 292.379 0.421 0 50 CCAA CN1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 91644786 MFRWTEZAQATIMP-LLVKDONJSA-N 260.345 0.869 0 50 CCAA O=C(N[C@H](CO)C1CCOCC1)c1nc[nH]c2nccc1-2 613405794 ASHQKRCINSTQEY-LLVKDONJSA-N 290.323 0.427 0 50 CCAA CCOC1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 294898021 PVIGRFIQVOCXQX-UHFFFAOYSA-N 283.349 0.951 0 50 CCAA CC(C)[C@H](NS(=O)(=O)c1cnn(C)c1)c1nccn1C 534674620 IWXVNGJMPQFHDV-NSHDSACASA-N 297.384 0.829 0 50 CCAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC1CC1 263588517 VFRZITWUCPPCID-JTQLQIEISA-N 277.280 0.369 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@](C)(C(=O)O)C1 299743079 JUYGERQPSSIQMC-SKDRFNHKSA-N 286.353 0.231 0 50 CCAA Cc1cc2nc(CCNC(=O)NCC(N)=O)[nH]c2cc1C 534656641 IFHPRLGZKBNASY-UHFFFAOYSA-N 289.339 0.507 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CCC(CN)CC1 534574538 NDMKNYMJWKVPBO-UHFFFAOYSA-N 286.401 0.823 0 50 CCAA c1nc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)c[nH]1 299776372 KCXZSJAFBBHRRQ-NWDGAFQWSA-N 260.301 0.347 0 50 CCAA CN(C)C(=O)[C@H]1CN(C(=O)CCCc2cn[nH]c2)CCO1 584898597 NWIDMLCRFWTOGJ-GFCCVEGCSA-N 294.355 0.048 0 50 CCAA Cc1cc(C)n(CCN(C)C(=O)C2(C)COC2)n1 584902153 PXPJYRJNRJWIJA-UHFFFAOYSA-N 251.330 0.995 0 50 CCAA O[C@H]1CN(CCCn2cccn2)C[C@@H]1N1CCCCC1 670434324 RFEMDKRBSHUUDA-GJZGRUSLSA-N 278.400 0.804 0 50 CCAA CCS(=O)(=O)CC(=O)NCC(C)(C)N1CCCC1 670440186 MEWUCFFCGIFIFR-UHFFFAOYSA-N 276.402 0.412 0 50 CCAA Cn1ccnc1[C@H](NC(CO)CO)c1ccccc1 670438865 AWVQITDERZSMST-CYBMUJFWSA-N 261.325 0.452 0 50 CCAA CCOc1ccnc(N2CCC(O)(CN(C)C)CC2)n1 670438879 VCRWSEIHSBRCMZ-UHFFFAOYSA-N 280.372 0.768 0 50 CCAA Cn1nnc(-c2ccc(C(=O)N[C@@H]3C[C@H]4OCC[C@@H]34)cc2)n1 1074565249 QDOAIEAZZDSUJH-YNEHKIRRSA-N 299.334 0.784 0 50 CCAA CC(C)(C)OC(=O)N1CCOC[C@@]2(CNCCO2)C1 54956969 MHCIEKBNVVEZOO-CYBMUJFWSA-N 272.345 0.612 0 50 CCAA in-vitro CC(C)(C)OC(=O)N1CCC2(CC1)NCCNC2=O 54957031 ITPNIORBIVFCKC-UHFFFAOYSA-N 269.345 0.476 0 50 CCAA in-vitro Cn1[nH]c(C2CN(C(=O)OC(C)(C)C)C2)nc1=N 1535644943 BYNPVVICUPQAQV-UHFFFAOYSA-N 253.306 0.562 0 50 CCAA C[C@H]1CN(C(=O)CCS(C)(=O)=O)C[C@]1(O)C1CCC1 1565514384 LHNBVMGMKPOMJF-GXFFZTMASA-N 289.397 0.431 0 50 CCAA Cc1ncncc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 408062405 HERGFWFVSFBWKG-MRVWCRGKSA-N 291.351 0.787 0 50 CCAA C[C@H]1OCC[C@H]1C(=O)N1CCC(n2cnnc2O)CC1 551930452 QGDSYAFQYYFZKN-MWLCHTKSSA-N 280.328 0.572 0 50 CCAA Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)nn1 640865145 AVAPCUMYJQLXBM-SCRDCRAPSA-N 290.367 0.503 0 50 CCAA CN(Cc1nnn(CC(=O)O)n1)C(=O)c1ccccc1 647638880 QPYMANFLXDITBO-UHFFFAOYSA-N 275.268 0.030 0 50 CCAA COCC(=O)NCc1ccc(NC(=O)C(F)(F)F)nc1 585088372 YNQVOAGBMOCABV-UHFFFAOYSA-N 291.229 0.845 0 50 CCAA CCC1CCN(S(=O)(=O)NC2CC3(C2)C[C@H]3N)CC1 1615059139 WDADPWLKVQMAJL-OTTFEQOBSA-N 287.429 0.823 0 50 CCAA C[C@@H](O)[C@H](NCC(=O)Nc1cccc(Cl)c1)C(=O)O 1615588047 WVPODITZKLUZQF-HQJQHLMTSA-N 286.715 0.702 0 50 CCAA CCCn1cc(C(=O)N[C@H]2CNCC[C@H]2OC)c(C)n1 1506412437 YLBBQQLLJXJUEA-QWHCGFSZSA-N 280.372 0.708 0 50 CCAA COCCCN1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704298948 MLTSNRSJSMHPNY-ZIAGYGMSSA-N 250.342 0.953 0 50 CCAA NC(=O)[C@@]1(O)CCCN(c2cc(C(F)(F)F)ccn2)C1 225475553 NZGXOJCYGMRZPS-LLVKDONJSA-N 289.257 0.917 0 50 CCAA C=CC(=O)N(C)CC(=O)NCC1([S@@](C)=O)CCC1 861506691 VLUPSJJWLRSNQS-GOSISDBHSA-N 272.370 0.048 0 50 CCAA CN1CCC[C@@H](N2CCC(CCC(N)=O)CC2)C1=O 539813042 SALSDOGXVPWOEW-GFCCVEGCSA-N 267.373 0.585 0 50 CCAA CCc1cnc(C)nc1N[C@@H]1C[C@@H](C(=O)O)N(C)C1 1772703386 XBQSJNGRDDGGSD-MNOVXSKESA-N 264.329 0.917 0 50 CCAA CC(C)OC(=O)[C@H](C)Nc1n[nH]c(=S)[nH]c1=O 13555549 JFNNXTZEHRQZCT-YFKPBYRVSA-N 258.303 0.579 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1ccncc1 169700557 NJOCHFDYBDTNNY-WISYIIOYSA-N 274.276 0.352 0 50 CCAA O=C(NCC[C@]1(O)CCCOC1)c1cnn(C2CC2)c1 628009615 UVDBVXBMFGEPJI-CQSZACIVSA-N 279.340 0.879 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2cccc(OC)n2)C1 643757525 OEWZRHHARUJXNZ-OAHLLOKOSA-N 293.367 0.553 0 50 CCAA Cc1cncc(CN2CC[C@](O)(Cn3ccnn3)C2)c1 671551564 FSBSOTPGYCSJDR-CQSZACIVSA-N 273.340 0.619 0 50 CCAA O=C(Cc1noc2ccccc12)N1CCO[C@H]2CNC[C@H]21 366990437 SYHBWIGVHMYPFB-OCCSQVGLSA-N 287.319 0.570 0 50 CCAA O[C@H](CN1CCC(c2cn[nH]c2)CC1)Cn1cccn1 377493099 ILGSUTNRBJAAEI-CQSZACIVSA-N 275.356 0.847 0 50 CCAA Cc1cc(N2CCN(c3nnc(C)n3C)CC2)nc(C)n1 585079884 VRHAYSSSIISILO-UHFFFAOYSA-N 287.371 0.857 0 50 CCAA CN=c1[nH]c(=NCc2cc(C)[nH]c(=N)c2)[nH]cc1Cl 1875287838 BXXBEIWFCXQWHS-UHFFFAOYSA-N 278.747 0.744 0 50 CCAA Cc1nc(C(=O)NCc2cnc3n2CCC3)n(C)n1 1875282914 YAIMDYPAIOYDCK-UHFFFAOYSA-N 260.301 0.196 0 50 CCAA Cc1nc[nH]c1CNC(=O)C1([C@@]2(O)CCCNC2)CCC1 1875392818 VOJUQROWIVGYDU-OAHLLOKOSA-N 292.383 0.619 0 50 CCAA COCC1(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)CC1 888079462 TWYIZMXNSIRNMS-HBNTYKKESA-N 265.313 0.100 0 50 CCAA COc1ccc2ccc(N3C[C@H]4C(=O)NC(=O)[C@H]4C3)nc2c1 894072929 YNNBHVVFEVCRLH-TXEJJXNPSA-N 297.314 0.952 0 50 CCAA O[C@H]1C[C@H](N=c2cc[nH]c(-c3nccs3)n2)CC[C@H]1O 896968695 DVILMYYEWAMXPS-BBBLOLIVSA-N 292.364 0.708 0 50 CCAA Cc1cc(O)nc(CCNC(=O)N2CCC[C@@H](O)C2)n1 426396410 KMJFATZYTKFQER-SNVBAGLBSA-N 280.328 0.199 0 50 CCAA C[C@@H](CNc1ncc(C(=O)O)cc1Cl)S(N)(=O)=O 398273025 HYODHDVTPLZDLA-YFKPBYRVSA-N 293.732 0.522 0 50 CCAA COc1ccsc1C(=O)N1CCC[C@H](O)[C@@H]1C(=O)O 911635468 CYPJESPTQUNVFA-IONNQARKSA-N 285.321 0.807 0 50 CCAA O=C(NC[C@@H](O)c1cccc(O)n1)c1ccc2ncnn2c1 2356142862 KZECYCPQORNASU-LLVKDONJSA-N 299.290 0.293 0 50 CCAA CC[C@@H]1CN(C(=O)NC[C@@H]2COCO2)C[C@H](C)O1 864095550 QIDZDTDCGMZECR-HBNTYKKESA-N 258.318 0.568 0 50 CCAA CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 117156079 MVAIQODSRXKFRD-SSDOTTSWSA-N 279.314 0.105 0 50 CCAA CCC[C@@](C)(CO)NC(=O)N[C@@H]1CCN(C(C)=O)C1 120907761 FRYKYNRHLUERSZ-YPMHNXCESA-N 271.361 0.458 0 50 CCAA O=C(Nc1cnc2n1CCCC2)c1nc2ncccn2n1 67894509 NYFAMNBMGRIQAP-UHFFFAOYSA-N 283.295 0.909 0 50 CCAA CNC[C@@H]1CCCN(C(=O)CNC(=O)CCC(C)C)C1 237066510 MZHVHXSVHAFOPD-ZDUSSCGKSA-N 283.416 0.997 0 50 CCAA Cn1cc(C(N)=O)cc1C(=O)NC1CCC(C(=O)O)CC1 237874604 CVFPMTNTTKFCOF-UHFFFAOYSA-N 293.323 0.497 0 50 CCAA COCc1cccc(C(=O)N2CCOC[C@H](O)C2)n1 77458727 SPFFLWQTNMNBTK-LLVKDONJSA-N 266.297 0.061 0 50 CCAA CC(=O)N(C[C@H]1CCCN1Cc1cnn(C)n1)C1CC1 367700175 BJVMKIZYTXOJMH-CQSZACIVSA-N 277.372 0.790 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N[C@@H](C(=O)O)C(C)C 262164985 UCFYGIOGRQGBEX-MRVPVSSYSA-N 275.330 0.116 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)Cc1ccc2c(c1)OCO2 262121578 JSSQMCWOQRJIEU-SNVBAGLBSA-N 293.275 0.270 0 50 CCAA COC(=O)CCN1CCN(CCC(=O)OC)[C@@H](C)C1 71771299 UBIXDAFJOIMGPZ-NSHDSACASA-N 272.345 0.119 0 50 CCAA Cc1cnc(CNC(=O)c2n[nH]c3c2COCC3)cn1 426518988 PCKZBVQXPJHFIE-UHFFFAOYSA-N 273.296 0.511 0 50 CCAA Cc1ccc(CCNC(=O)[C@H](C)N2CCN(C)CC2)o1 426684456 MDCUYIRPNYZATL-ZDUSSCGKSA-N 279.384 0.883 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N(C)Cc1cn(C)nn1 534902475 SYUIKEQQVLRAMA-UHFFFAOYSA-N 285.329 0.241 0 50 CCAA CNC(=O)c1nc(Cn2c(=O)c(C)nc3ccccc32)no1 95355275 NKHPYIDAZOGGSW-UHFFFAOYSA-N 299.290 0.496 0 50 CCAA CCC[C@H]1CN(C(C)=O)C[C@@H]1NC(=O)CN(C)C 92046002 CQYVMKWCDXWAQN-RYUDHWBXSA-N 255.362 0.311 0 50 CCAA O=C(NCCNC(=O)[C@H]1CCCCO1)c1cccnc1 97394366 HEZXZGUXCPSYNW-GFCCVEGCSA-N 277.324 0.497 0 50 CCAA COCCN1CC[C@H](CN(C)C(=O)Cc2cc(C)no2)C1 230544014 WQCWJAJUOGHMOC-CYBMUJFWSA-N 295.383 0.952 0 50 CCAA CN1C(=O)CC[C@@H](N2C(=O)c3cccc(N)c3C2=O)C1=O 90031309 YSWQOCGODHPKED-SECBINFHSA-N 287.275 0.012 0 50 CCAA Cn1ccnc1CN(CCO)CCN1C[C@H]2CC[C@@H]1C2 244673830 HWJGWXBIQRNQGF-UONOGXRCSA-N 278.400 0.699 0 50 CCAA Cc1c[nH]c(C(=O)N[C@@H](C2CCNCC2)[C@H]2C[C@H](O)C2)n1 252535848 HALWSQKKWYFOSJ-AVGNSLFASA-N 292.383 0.587 0 50 CCAA COc1ccc(CCNC(=O)N2C[C@@H]3CC[C@]3(N)C2)cn1 1553516869 QFPCWUAUQWEKIO-WFASDCNBSA-N 290.367 0.765 0 50 CCAA COc1ccnc(C(=O)NCCN2CCCC2=O)c1 252509658 YTDNLCOFLNLUMY-UHFFFAOYSA-N 263.297 0.442 0 50 CCAA C[C@H](NC(=O)N1CCN(CCO)CC1)c1ccc(O)cc1 534577769 UJRXHIAPTBNUAJ-LBPRGKRZSA-N 293.367 0.773 0 50 CCAA COCCc1noc(CNC(=O)C2(COC)CCC2)n1 534589151 FKGWVWBXHRYLDN-UHFFFAOYSA-N 283.328 0.691 0 50 CCAA COC(=O)c1cn([C@H]2CC[C@H](O)CC2)cc2c(=O)[nH]nc1-2 263588765 YCODNUXWTMPYTK-KYZUINATSA-N 291.307 0.939 0 50 CCAA Cc1nc([C@H]2CCOC2)cc(N2CCC(O)(CO)CC2)n1 299773358 FODBRNWKSWGYPN-LBPRGKRZSA-N 293.367 0.613 0 50 CCAA CC(C)(C)OC(=O)CNC(=O)CC(C)(C)C(=O)O 575436535 KJSIJKGOXUIFNN-UHFFFAOYSA-N 259.302 0.945 0 50 CCAA O=C(C[C@@H]1CCOC1)N1CCC(O)(CN2CCCC2)CC1 827909882 XXNXQPKFYLCHQU-AWEZNQCLSA-N 296.411 0.862 0 50 CCAA CN1CCN(CC2(CN=c3cc[nH]cc3)CC2)CC1 823789123 JYZNZKOHTPZVON-UHFFFAOYSA-N 260.385 0.943 0 50 CCAA O=C(CCc1n[nH]c2c1CCCC2)NCCc1cnn[nH]1 584890652 BZCWWJBNHAGIMM-UHFFFAOYSA-N 288.355 0.698 0 50 CCAA CC(C)Cc1cc(C(=O)NCc2nc(O)n[nH]2)no1 670436518 ORKOBGQWXSGTQR-UHFFFAOYSA-N 265.273 0.627 0 50 CCAA CCCO[C@H](C)C(=O)NCCN1CCCCC1=O 670434375 IJVZFOLPCAATHB-LLVKDONJSA-N 256.346 0.930 0 50 CCAA CC(C)(C(=O)NCCSc1nc[nH]n1)N1CCOCC1 670437500 FFUCLEPZXCYOMS-UHFFFAOYSA-N 299.400 0.124 0 50 CCAA CC(C)(O)C(=O)N1CCC(C[C@H]2OCC[C@H]2C(N)=O)CC1 952887147 YGPXQRAUQOOPKW-VXGBXAGGSA-N 298.383 0.276 0 50 CCAA Cc1nc([C@@H](C)N2CCn3ncc(CN(C)C)c3C2)n[nH]1 952889903 ONHKRAUKTQGLCM-SNVBAGLBSA-N 289.387 0.948 0 50 CCAA Cc1c[nH]c(CNS(=O)(=O)N2CCCC2)c(C)c1=O 952883025 XIGDLQQZXAYAFN-UHFFFAOYSA-N 285.369 0.422 0 50 CCAA CCc1nsc(N2CC(N[C@@H]3CCOC3)C2)n1 952992901 LJEONJILTCJAFQ-MRVPVSSYSA-N 254.359 0.668 0 50 CCAA CNC(=O)c1ccc(OC)c(NC(=O)[C@@H](N)C2CC2)c1 1875276849 IUSFDTOGVFKUQG-LBPRGKRZSA-N 277.324 0.731 0 50 CCAA Cc1nn(CCNS(=O)(=O)N2CCCC2)c(C)c1C 952863520 UHJJBXNHHYYEJB-UHFFFAOYSA-N 286.401 0.739 0 50 CCAA CSCC(=O)N(C)C[C@H]1CCCN(CCO)C1 952971644 HZBZHESZWSVOBP-LLVKDONJSA-N 260.403 0.512 0 50 CCAA CCCNc1ncc(CNCc2nc(O)n[nH]2)cn1 952974512 BBRCMRHSHOYZGA-UHFFFAOYSA-N 263.305 0.412 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)Cc1cccnc1C 886077910 JMABOVONHSDXQZ-OAHLLOKOSA-N 291.351 0.425 0 50 CCAA O=C(N[C@@H](CO)c1ccccc1)[C@@]1(F)CCNC1 888096301 SJFJLRSWCWAOIN-WCQYABFASA-N 252.289 0.538 0 50 CCAA C[C@]1(C2CC2)COCCN1C(=O)Cc1nc[nH]n1 890590873 LAOKQGSAINXLID-GFCCVEGCSA-N 250.302 0.375 0 50 CCAA O=C(NCc1cc[nH]n1)[C@@H]1CC(=O)N(c2nccs2)C1 1177334502 YRTVZVXBRFSWGE-MRVPVSSYSA-N 291.336 0.536 0 50 CCAA CO[C@H](C)[C@H](C)NC(=O)c1c[nH]nc1-c1ccn(C)n1 1776004084 NIMAHYYFGAIELP-DTWKUNHWSA-N 277.328 0.963 0 50 CCAA c1cnn(C2(CNc3nccn4nnnc34)CC2)c1 1336740194 MVFOBIWGOZUXSN-UHFFFAOYSA-N 256.273 0.317 0 50 CCAA CN(C)[C@@H](C(=O)N1CCC(O)CC1)c1cncn1C 1322551803 YTHAQJOAANYGFR-GFCCVEGCSA-N 266.345 0.006 0 50 CCAA O=C1CC[C@@H](N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1 90651045 MPQLCQKBYRSPNA-SECBINFHSA-N 276.223 0.227 0 50 CCAA CC[C@H](COC)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 275428719 FDXOLVAUFFGSNU-CHWSQXEVSA-N 294.399 0.764 0 50 CCAA Cc1ccn(Cc2nnnn2CC2CCOCC2)c(=O)c1 277461288 IXJBZQQJHISFMB-UHFFFAOYSA-N 289.339 0.618 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CCN(C(C)=O)CC2)CC1 408513640 CMMLZNBVVPUNOS-UHFFFAOYSA-N 293.367 0.102 0 50 CCAA CCc1nnsc1C(=O)N1C[C@@H](C)O[C@@H](COC)C1 170603518 AERNCTMCQJDKAH-RKDXNWHRSA-N 285.369 0.976 0 50 CCAA COCCO[C@H](C)c1nnc2n1C[C@@H](C(=O)OC)CC2 601045524 VYEKLWPGLAEGJE-ZJUUUORDSA-N 283.328 0.738 0 50 CCAA CCCN1CCN(CC(=O)NC(=O)NCC)C(C)(C)C1=O 187852058 BUHOBPKOQJUCBV-UHFFFAOYSA-N 298.387 0.165 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cc(COC)on1 643765923 RLBOHHASYXHOJN-CQSZACIVSA-N 297.355 0.548 0 50 CCAA O=C(NC[C@@H]1CNCCO1)c1ccnc(C2CC2)c1 569957604 OKOXMVCCOIJBAB-LBPRGKRZSA-N 261.325 0.677 0 50 CCAA Cc1nccnc1N1CC[C@H](n2cc(C(=O)O)nn2)C1 583625722 HQJKPINKGDQPAF-VIFPVBQESA-N 274.284 0.526 0 50 CCAA O=C1CO[C@]2(CCN(C(=O)c3ccc(Cl)cn3)C2)CN1 1800413416 GUXGNVKJHGCUFP-CYBMUJFWSA-N 295.726 0.466 0 50 CCAA Cn1ccnc1COCC(=O)N[C@]12CCC[C@@H]1NCC2 1615547012 MVTBCSKFMMGFPT-FZMZJTMJSA-N 278.356 0.338 0 50 CCAA COCc1cc(C(=O)N2C[C@H](OC)C[C@H]2COC)no1 344804594 FODTXAHNWXGJQG-VHSXEESVSA-N 284.312 0.697 0 50 CCAA Cc1nc(CN(C)C(=O)[C@@H]2CCC[C@H](O)C2)no1 352343215 HAJMDADKXYMXCF-ZJUUUORDSA-N 253.302 0.888 0 50 CCAA O=C(NCCn1cc(Br)cn1)[C@@H]1C=CCN1 1857683081 BJPXPDHBXIELCL-VIFPVBQESA-N 285.145 0.290 0 50 CCAA CC(C)NC(=O)N1CCCN(C(=O)[C@H]2CCOC2)CC1 1775984116 ZETJJKTVQMNOSJ-LBPRGKRZSA-N 283.372 0.675 0 50 CCAA CCN(C(=O)CNc1cccnc1)[C@H]1CCS(=O)(=O)C1 1857691190 ZIXHSMRGOSPDBJ-LBPRGKRZSA-N 297.380 0.529 0 50 CCAA CN1CCN(C(=O)c2ccccn2)C[C@H]1c1ncc[nH]1 328620155 GTKIELRVQWEGCK-LBPRGKRZSA-N 271.324 0.934 0 50 CCAA N[C@@H]1CCC[C@H]1C(=O)N1CCN(Cc2ccon2)CC1 237941224 KXOGXUNENSWBBV-CHWSQXEVSA-N 278.356 0.446 0 50 CCAA Nc1nccnc1C(=O)NC[C@@H](C(=O)O)c1ccccc1 345982874 DOSOLXVCUKKGRT-SNVBAGLBSA-N 286.291 0.657 0 50 CCAA CN1C[C@@H](NC(=O)c2cnnn2C)[C@@H](c2ccccc2)C1 366973211 LGMPPMIHNLOKLR-CHWSQXEVSA-N 285.351 0.643 0 50 CCAA CN(CCN1CCOCC1)C(=O)N[C@@H]1CCOC(C)(C)C1 161529233 CYVFAOQRGDYTGL-CYBMUJFWSA-N 299.415 0.918 0 50 CCAA CN1CCC(NCc2cn(Cc3ccns3)nn2)CC1 900545315 WVTQQIQEPBCETA-UHFFFAOYSA-N 292.412 0.967 0 50 CCAA CCc1cc(CC(=O)Nc2cncn(CC)c2=O)n(C)n1 906019019 QGLNLFAGKFNMFY-UHFFFAOYSA-N 289.339 0.740 0 50 CCAA CC1(C)CC[C@@H]1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 826833805 IGYHXVBECNJRCP-RKDXNWHRSA-N 265.317 0.536 0 50 CCAA CC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1 1850099814 YHXAYSKGSZLMHI-UHFFFAOYSA-N 276.340 0.493 0 50 CCAA Cn1nccc1[C@@H](NC(=O)CC[C@@H]1CCOC1)C(=O)O 402530099 PLNKDSPBAQPADW-BXKDBHETSA-N 281.312 0.479 0 50 CCAA O=C(NC[C@]1(O)CCCNC1)NC1CCCCC1 426465205 LRXLTIIXHHDJBL-ZDUSSCGKSA-N 255.362 0.733 0 50 CCAA COc1nccnc1N[C@@H](C)CN1CCOCC1 534673833 KAKZMLZDZIFSIP-JTQLQIEISA-N 252.318 0.618 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)[C@@H]1CCOC1 643849216 WPEPYGUPJMFWFP-BXKDBHETSA-N 257.286 0.115 0 50 CCAA O=C(O)C1(C(=O)N2CCC[C@@H](n3cccn3)C2)CC1 370342882 LYTQHWFEAORSBD-SNVBAGLBSA-N 263.297 0.911 0 50 CCAA O=C(O)CN(C(=O)[C@@H]1CCCS1(=O)=O)c1ccccc1 584540287 SZJBXRJFHJSPNO-NSHDSACASA-N 297.332 0.681 0 50 CCAA O=C1NCC[C@H]1N1C(=O)N[C@]2(CCc3ccccc32)C1=O 849358007 VCWPWYKGWBYYDY-ABAIWWIYSA-N 285.303 0.268 0 50 CCAA COc1cncc(CN=c2ccc3ncnc(O)c3[nH]2)n1 2325865269 VAYHRTKGPBRQQS-UHFFFAOYSA-N 284.279 0.563 0 50 CCAA O=S1(=O)CC[C@@H](S[C@@H]2CCS(=O)(=O)C2)C1 2461454 VRWOOWOJPSQXHK-HTQZYQBOSA-N 270.397 0.094 0 50 CCAA NCCCC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 4556744 QCZYYEFXOBKCNQ-OLZOCXBDSA-N 293.367 0.255 0 50 CCAA endogenous,in-man CS(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 10314565 VYTGTSBIMPCKPU-UHFFFAOYSA-N 254.311 0.950 0 50 CCAA OCCOCCNCc1ccc2c(c1)OCCO2 10436390 VTACXZDTARVHAE-UHFFFAOYSA-N 253.298 0.556 0 50 CCAA NC(=O)[C@H]1CCC[C@@H](C(=O)N2CC(OC(F)F)C2)C1 346314368 OFBAGCAQCLRLRK-JGVFFNPUSA-N 276.283 0.728 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2CCn3ccnc3C2)n(C)n1 328623711 JIEJRFZAPMHXSB-LLVKDONJSA-N 273.340 0.917 0 50 CCAA C[C@@H](O)CNc1cc(N2CCC[C@H]2CO)ncn1 120414345 YQUBBKCXZYEYHZ-ZJUUUORDSA-N 252.318 0.230 0 50 CCAA NCC(=O)NCC(=O)N1CCc2c(Cl)cccc21 124906907 VPNRSYXXGGTMPX-UHFFFAOYSA-N 267.716 0.304 0 50 CCAA Cn1ncc(-c2csc(N3CCOCC3)n2)n1 283817034 DSFREVAAVKXADO-UHFFFAOYSA-N 251.315 0.775 0 50 CCAA O=C(O)[C@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 57243 WWVCWLBEARZMAH-WDEREUQCSA-N 265.265 0.843 0 50 CCAA biogenic CCn1cnnc1CCN[C@H](C)C(=O)Nc1nccs1 65405024 LTHSBZSFBGRYRM-SECBINFHSA-N 294.384 0.914 0 50 CCAA CC(=O)N[C@@H](C(=O)N1CC[C@H](C(=O)O)C1)C1CCCC1 236713289 KUCWKMYHYWXBTK-NWDGAFQWSA-N 282.340 0.614 0 50 CCAA COCCn1cc(S(=O)(=O)NCC(F)(F)F)cn1 288502715 FEKFWLZKOHSABD-UHFFFAOYSA-N 287.263 0.370 0 50 CCAA NC(=O)NC[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 339140103 KPBMETVTMDKVOH-SECBINFHSA-N 274.328 0.843 0 50 CCAA CNC(=O)C1CN(C(=O)[C@@H]2CC23CCOCC3)C1 368492917 GRBWDNQZFFZITI-JTQLQIEISA-N 252.314 0.008 0 50 CCAA C=CC(=O)NCCC(=O)N(C)C1CCN(C)CC1 490602494 XQTIRHQAKIKNOU-UHFFFAOYSA-N 253.346 0.231 0 50 CCAA Cc1cc(CC(=O)N2CC[C@H](N)C(C)(C)C2)n[nH]1 262181274 ZCQCKDPBLXYVGY-NSHDSACASA-N 250.346 0.846 0 50 CCAA CN(Cc1ccoc1)C(=O)CN(C)C1CCNCC1 215261477 VNKYNPDHPLFGFB-UHFFFAOYSA-N 265.357 0.922 0 50 CCAA COCc1cccc(CC(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1 286615438 BKASNDVSZSKCNX-OLZOCXBDSA-N 294.326 0.800 0 50 CCAA CC(=O)N1CCC(CNC(=O)c2cc(=O)cc(C)o2)CC1 223016191 BTFJHDHFAMICHV-UHFFFAOYSA-N 292.335 0.937 0 50 CCAA Cc1ccn2ncc(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)c2n1 176795799 BHRUMYBNKGNRLE-SNVBAGLBSA-N 299.334 0.531 0 50 CCAA CNCc1nnc(SCCO)n1C[C@@H]1CCCO1 426503216 DIYMVFVPQNRAFK-VIFPVBQESA-N 272.374 0.261 0 50 CCAA CCc1cc(=NC(=O)CC2CCN(OC)CC2)[nH][nH]1 616353091 MHOVEXKVPJUEIZ-UHFFFAOYSA-N 266.345 0.996 0 50 CCAA CN1CCC[C@H]1C(=O)N[C@H](C(N)=O)c1ccccc1 144214484 HGTXXCXSDKKJJZ-RYUDHWBXSA-N 261.325 0.423 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)c1cn(C)cn1 293770736 ASGPODMKLKJSNO-GFCCVEGCSA-N 278.356 0.797 0 50 CCAA CCOc1ccc(C(=O)N2C[C@H](CO)[C@H](CN(C)C)C2)o1 91320276 UUOMIPPUTJCHHD-VXGBXAGGSA-N 296.367 0.920 0 50 CCAA COCCN(Cc1nccs1)C(=O)CCC(=O)O 426489364 KVCPJEVSUGKACJ-UHFFFAOYSA-N 272.326 0.983 0 50 CCAA O=C(O)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 238186665 QVEXOBXOKAKGTG-MNOVXSKESA-N 282.340 0.616 0 50 CCAA CN(C)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 526062140 SAVYPYVKXWCVCE-MPKXCIJOSA-N 250.298 0.106 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1noc2c1CCCC2 299743209 KBMOLOOIBYNXGT-KCJUWKMLSA-N 267.304 0.951 0 50 CCAA O=C(CCn1cc(Cl)cn1)N1CCS(=O)(=O)CC1 264119310 BXBOZLFMBZELDI-UHFFFAOYSA-N 291.760 0.184 0 50 CCAA CCCn1ccnc1CNC(=O)[C@@H](C)CN1CCOCC1 534665401 XNUJERVGIDGYOC-ZDUSSCGKSA-N 294.399 0.878 0 50 CCAA CCCc1cc(CNC(=O)CCn2nnnc2C)on1 584895126 ANWLMMCWWABSSK-UHFFFAOYSA-N 278.316 0.629 0 50 CCAA O=C(CN1CCC[C@H](c2cc[nH]n2)C1)N1CCNCC1 670446017 QAVYKMHBGJFAKQ-LBPRGKRZSA-N 277.372 0.021 0 50 CCAA Cc1cc(Cn2cc(O[C@@H]3COC[C@@H]3N)cn2)on1 685943404 WDJJECLPCLTSPN-NWDGAFQWSA-N 264.285 0.333 0 50 CCAA CC1(C)CNC(=O)[C@@H]1N[C@@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32 952965236 ZVQKDYNKFBGDSN-HAVMIZHYSA-N 250.342 0.524 0 50 CCAA Cc1ncc(C(=O)N2CC[C@](C)(N(C)C)C2)c(=N)[nH]1 1875295330 GUTMQCDPLDCRCX-ZDUSSCGKSA-N 263.345 0.364 0 50 CCAA Cc1cc(C(=O)O)ccc1C(=O)N[C@@]1(CCO)CCOC1 1875277606 UBZRFPOOALSPSF-HNNXBMFYSA-N 293.319 0.965 0 50 CCAA O=C(NC1CC(Nc2ccccc2)C1)[C@H]1CCS1(=O)=O 1875369185 YJZJBSDUUAZQHN-WXRRBKDZSA-N 294.376 0.933 0 50 CCAA CC1=C(C)CN(C(=O)c2n[nH]c3c(=O)n(C)cnc23)CC1 1875404108 VCYRTODDAVKZMG-UHFFFAOYSA-N 287.323 0.839 0 50 CCAA CN(CC1(CO)CCCC1)C(=O)CCS(C)(=O)=O 952966366 VPNCNXWAHIBSSC-UHFFFAOYSA-N 277.386 0.432 0 50 CCAA Cn1ncc(CN2CCC[C@@H]2c2ccc(N)nn2)n1 886080413 RKXRHOMSAWIQFX-LLVKDONJSA-N 259.317 0.524 0 50 CCAA CN1CCC(OCC(=O)N2C[C@@H]3CC[C@]3(N)C2)CC1 1775962111 STBQNQHNAKGEHK-FZMZJTMJSA-N 267.373 0.047 0 50 CCAA CN(Cc1nnnn1C)C(=O)[C@]1(C)C[C@H]2CC[C@H]1O2 408324534 NKTDUBWMLTUCKB-KBVBSXBZSA-N 265.317 0.126 0 50 CCAA CCc1nnc2ccc(N3CCO[C@H](CN(C)C)C3)nn12 109321055 SWMQPQHUVPQXGX-LLVKDONJSA-N 290.371 0.454 0 50 CCAA Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)c(O)n1 170594770 ZMMXZYDJGGSPTA-SECBINFHSA-N 279.296 0.329 0 50 CCAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)CN(C)C)c1 282344527 DVAQAIBQXIMRGH-TZMCWYRMSA-N 278.352 0.891 0 50 CCAA CC[C@@H](C)N(C)CCNC(=O)N1CCN(C(=O)C2CC2)C1 575241164 KRXZNYPELBAJBS-GFCCVEGCSA-N 296.415 0.938 0 50 CCAA CCCN1CC[C@H](CNc2nccnc2C(=O)O)C1 584886329 FXCZQIODRBLRTD-SNVBAGLBSA-N 264.329 1.319 0 50 CCAA CN(Cc1c(F)cccc1F)[C@@H]1CS(=O)(=O)C[C@H]1O 585116300 PEIHTEVVXWYKHU-VXGBXAGGSA-N 291.319 0.555 0 50 CCAA Cc1cc(C[C@@H]2CN(C3CCN(C)CC3)C[C@H]2O)n[nH]1 1529173750 PFVARNXWSRWXDL-IUODEOHRSA-N 278.400 0.648 0 50 CCAA Cn1nc(C(F)F)cc1C(=O)N(CCO)Cc1ncc[nH]1 1704312166 MFKMMZXQYGDSAV-UHFFFAOYSA-N 299.281 0.716 0 50 CCAA C=CC(=O)N1CCCC[C@H]1CCn1cc(C(=O)O)nn1 1615056037 SWDNTZOIXBROLG-JTQLQIEISA-N 278.312 0.934 0 50 CCAA COC1(CC(=O)N2CC[C@H](CC(N)=O)C2)CCC1 377188495 DZXSRPYOAYWBRF-SNVBAGLBSA-N 254.330 0.670 0 50 CCAA O=C(c1cccc2cccnc12)N1C[C@H]2[C@H](C1)C2(CO)CO 1772702823 XVNIMFIFPNTGBB-KBPBESRZSA-N 298.342 0.908 0 50 CCAA C[C@@H]1CCCCN1CCNC(=O)c1cnc(C(N)=O)cn1 1772704064 LUWDSKCTPNVMEL-SNVBAGLBSA-N 291.355 0.180 0 50 CCAA CC(C)N1C[C@@H](CN2CCNC(=O)C2)CCC1=O 1772813571 IBNCKMZLMCFWEJ-LLVKDONJSA-N 253.346 0.065 0 50 CCAA CC1(COCOCC2(C)COCOC2)COCOC1 2160090 LWKVIYPJUMCRAU-UHFFFAOYSA-N 276.329 0.998 0 50 CCAA in-vitro CO[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1c1cnn[nH]1 622169320 GWNUMPYVMHCZAY-WCQYABFASA-N 290.323 0.971 0 50 CCAA CC(C)(O)[C@@H](O)[C@H](O)c1cc2ccc(O)cc2oc1=O 261492354 UWTSEUOPXSZNNG-NEPJUHHUSA-N 280.276 0.664 0 50 CCAA biogenic C=CC(=O)N(CC)CC(=O)NC[C@@H]1COC(C)(C)O1 901046701 ZTVXDKOAVZZIKY-SNVBAGLBSA-N 270.329 0.289 0 50 CCAA CCOc1cc(C(=O)N[C@H]2CCCN(CCOC)C2)[nH]n1 1007606279 UYCOUXQVNQJOGD-NSHDSACASA-N 296.371 0.649 0 50 CCAA CCn1ncc(C(=O)N(C)Cc2cnc(N(C)C)nc2)n1 816013200 HNRDANCJRGZTPS-UHFFFAOYSA-N 289.343 0.426 0 50 CCAA Nc1ccnc2c1CN(CC(=O)NCC1CCC1)CC2 931510919 IDSXUYRFGIHTBE-UHFFFAOYSA-N 274.368 0.938 0 50 CCAA O=S(=O)(c1cn[nH]c1)N1CC[C@@]2(O)CCCC[C@H]2C1 227367526 GHUPZYUIDYOEQU-JQWIXIFHSA-N 285.369 0.725 0 50 CCAA O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccnnc1 129973276 ORWPPTVSLTWVCL-GFCCVEGCSA-N 271.276 0.902 0 50 CCAA CCC(CC)(CNC(=O)C1=NN(C)C(=O)CC1)C(=O)O 165025948 CAJBEGYSCGALDA-UHFFFAOYSA-N 283.328 0.602 0 50 CCAA CC(C)CN1C[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3)CC1=O 65371337 OUPQULSBZCHTOD-UPJWGTAASA-N 279.384 0.454 0 50 CCAA Cc1nnc(CSc2nnc(CCN)n2C)s1 426484928 XEKRMXBJRGETEV-UHFFFAOYSA-N 270.387 0.769 0 50 CCAA CC(=O)N[C@@H](CC(C)C)C(=O)NCC1(CO)CC1 534653688 UIQSPRDUXHVHIE-NSHDSACASA-N 256.346 0.426 0 50 CCAA CNS(=O)(=O)C[C@H]1CCCN1Cc1nccs1 332673081 REKARGBHCVJFFZ-SECBINFHSA-N 275.399 0.657 0 50 CCAA O=C(NC[C@H]1CNCCCO1)[C@@H]1Cc2ccccc21 333232664 UWIHGDOZTJNSKY-TZMCWYRMSA-N 260.337 0.821 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](O)C2)o1 334690169 QUEFAANPYRTJGS-WCBMZHEXSA-N 259.327 0.979 0 50 CCAA Cn1nc(C(=O)NCc2cc(C3CC3)n[nH]2)ccc1=O 584884462 QJSLUFVQGMCSEA-UHFFFAOYSA-N 273.296 0.311 0 50 CCAA CC1(C)O[C@H]2[C@@H](O1)[C@@H]1OC(C)(C)OC[C@H]1O[C@H]2O 8700265 QIFUEBARKWFBGQ-FHNUBNKASA-N 260.286 0.375 0 50 CCAA O=C(NC[C@@H]1CCCNC1=O)c1n[nH]cc1-c1ccncc1 2325797996 DZPLKCMZJAWQPG-NSHDSACASA-N 299.334 0.728 0 50 CCAA Cc1c(C(=O)NCc2cc(=O)cc[nH]2)cnc2ccnn12 2325819734 OIMXIKHCMUCAKS-UHFFFAOYSA-N 283.291 0.656 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 115659 FFZGWRQVRQWYIY-UHFFFAOYSA-N 286.328 0.543 0 50 CCAA Cn1c(NC(=O)COc2ccccc2)cc(=O)n(C)c1=O 267223 GLHWWLVAROPZMA-UHFFFAOYSA-N 289.291 0.102 0 50 CCAA O=C(COc1ccccc1)Nc1c[nH]c(=O)[nH]c1=O 319692 FKAHXFQDVGHBHX-UHFFFAOYSA-N 261.237 0.081 0 50 CCAA CCOc1ccccc1N(CC(=O)NC)S(C)(=O)=O 443806 GDHWAHGPTXIUFQ-UHFFFAOYSA-N 286.353 0.597 0 50 CCAA COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C=CC2=O)c1 462889 QZCCNDIHBWMEHD-UHFFFAOYSA-N 289.243 0.689 0 50 CCAA Cc1cc(OCC(=O)N2CCOCC2)ccc1N 1431530 YRTQMZLOEWFCAT-UHFFFAOYSA-N 250.298 0.815 0 50 CCAA Cc1nn(C)cc1NC(=O)CN1CCN(C2CC2)C[C@H]1C 2356141249 ZREKPONHIJWLNJ-LLVKDONJSA-N 291.399 0.836 0 50 CCAA O=C(c1c[nH]c(=O)cn1)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356146648 ONNYCIQVIXHJSD-GXTWGEPZSA-N 299.330 0.761 0 50 CCAA O=C(CCc1nc(O)n[nH]1)N1CCC[C@H](c2cc[nH]n2)C1 2356158102 CSMQDZVZHMUPOP-VIFPVBQESA-N 290.327 0.572 0 50 CCAA CCn1ncc(C(=O)NCC(C)(C)N2CCOCC2)n1 814763021 QSLFUOBVTSYPGE-UHFFFAOYSA-N 281.360 0.139 0 50 CCAA O=C(NCCN1CCN(c2ncccn2)CC1)C1CC1 57061630 SXUPZNZIENRBOO-UHFFFAOYSA-N 275.356 0.125 0 50 CCAA COCCCN1CCN(C(=O)C(=O)OC(C)(C)C)CC1 328596835 APEJFZITNOFVGB-UHFFFAOYSA-N 286.372 0.509 0 50 CCAA O=C1NC(=O)[C@@H](Cc2nc(CCc3ccccc3)n[nH]2)N1 65395905 UIWHYEPMJCWUHN-SNVBAGLBSA-N 285.307 0.340 0 50 CCAA CCN1CCN(S(=O)(=O)C2CC2)C[C@@H]1c1ncc[nH]1 328630890 QJWPIVVMRUSOIT-LLVKDONJSA-N 284.385 0.581 0 50 CCAA CN1CCN(Cc2ccc(OCCO)cc2)C[C@@H]1CCO 20452774 FKOCXAUNRNVHSQ-HNNXBMFYSA-N 294.395 0.556 0 50 CCAA COCCNC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 123568142 MPZJMSMDTFSYCR-LBPRGKRZSA-N 294.351 0.547 0 50 CCAA O=C1CCN(C(=O)c2ccccc2[C@H]2CCNC2)CCN1 72172815 AEIVKGKYHYLBDE-LBPRGKRZSA-N 287.363 0.726 0 50 CCAA COc1cc(N2CCC(=O)NC[C@H]2C)nc(OC)n1 32577648 RMVQELXOAYAFQW-MRVPVSSYSA-N 266.301 0.209 0 50 CCAA COC(=O)NCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77297849 VEAIXGNGSPREMK-SECBINFHSA-N 266.301 0.472 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)/C=C/c2ccccn2)CCO1 238194234 IAFXWLXHNRQDHZ-ZYOFXKKJSA-N 276.292 0.797 0 50 CCAA CN1CC[C@@](O)(CNC(=O)Cc2c[nH]c3ncccc23)C1 358067452 PPPLRUCXFDFDKA-OAHLLOKOSA-N 288.351 0.288 0 50 CCAA CCc1nc(N)sc1C(=O)NC[C@@H]1COCCN(C)C1 215840347 MEUDFZSFLWTGGW-VIFPVBQESA-N 298.412 0.596 0 50 CCAA Cc1c(CC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cnn1C 340188614 IXHMWMFFJHCQAY-CQSZACIVSA-N 276.384 0.966 0 50 CCAA CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C1CC1 157077917 WPYDIGYGTKEDJC-SECBINFHSA-N 270.358 0.757 0 50 CCAA CC(=O)N[C@H]1CCN(Cc2ccccc2OCC(=O)O)C1 215733879 RWEHHUAAIROWML-ZDUSSCGKSA-N 292.335 0.860 0 50 CCAA CCc1cnccc1C(=O)N1CCC[C@@](O)(C(N)=O)C1 375774476 LTHQOKVUBOWINJ-AWEZNQCLSA-N 277.324 0.096 0 50 CCAA O=C(NCc1nc(-c2ccncc2)n[nH]1)c1cn[nH]c1 216124294 IUZOYFSCQSIYRG-UHFFFAOYSA-N 269.268 0.520 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(c2cccc3c2OCCO3)C1 217039591 LEBXSIOPVBRFHU-MRVPVSSYSA-N 263.249 0.895 0 50 CCAA CCN1CCO[C@@H](C(=O)Nc2ccc3nncn3c2)C1 179646254 UJIMSHYBWPPKJA-LLVKDONJSA-N 275.312 0.389 0 50 CCAA COC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 225245616 UTXURUDFYYMZLC-AXTSPUMRSA-N 264.281 0.150 0 50 CCAA O=C1N[C@H](C(=O)N2CCC(Oc3cccnc3)CC2)CO1 426538061 HMXNPBVTVLRFJX-LBPRGKRZSA-N 291.307 0.560 0 50 CCAA Cc1ccn2c(C(=O)NCC[C@@H]3CCOC3)nnc2n1 426550058 PHOCPGXCTSWFIW-SNVBAGLBSA-N 275.312 0.589 0 50 CCAA CN1CCCC[C@@H]1CC(=O)NCCc1cc[nH]n1 426394616 OVJLABVOGWMUOC-GFCCVEGCSA-N 250.346 0.943 0 50 CCAA COC[C@@H]1CCCCN1Cc1[nH]c(=O)[nH]c1C(=O)O 97759304 FCSJKGPMUMMYCY-QMMMGPOBSA-N 269.301 0.402 0 50 CCAA O=C([C@@H]1CCCN(CCn2cc[nH]c2=O)C1)N1CCCC1 244816879 SQFGEGQFDNOLDM-CYBMUJFWSA-N 292.383 0.511 0 50 CCAA CCn1nc(CO)c2c1CCN(C[C@H]1COCCO1)C2 244874365 XABWXIRXKBDWHM-NSHDSACASA-N 281.356 0.169 0 50 CCAA CCc1noc(C)c1CN1CCC([C@@H](O)C(N)=O)CC1 299752935 WAWGLBZRYSQATF-CYBMUJFWSA-N 281.356 0.604 0 50 CCAA COc1cc2c(cc1OC)C(=O)N(C)CC(=O)N2 534648711 IGSOUYQQZQRRIF-UHFFFAOYSA-N 250.254 0.728 0 50 CCAA COCCN1CC[C@@H](C(=O)NCC2(N(C)C)CCCC2)C1 534574583 ZNWHJZLHXOYSLC-CQSZACIVSA-N 297.443 0.945 0 50 CCAA COC[C@H](c1ccccn1)N(C)C(=O)NCC(=O)N(C)C 534590246 DFQZYOTUZCFYBC-GFCCVEGCSA-N 294.355 0.499 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)[C@@H](C)n2cccn2)C1 630249945 QCDVQAVHDHWIJQ-BXKDBHETSA-N 267.285 0.146 0 50 CCAA C[C@H]1CN(C(=O)[C@@H](C)Cn2cncn2)C[C@@H](C)O1 820619807 JIYWOYUCUIGUMI-GARJFASQSA-N 252.318 0.550 0 50 CCAA O=C(NCC1(c2ccc(F)cc2)CC1)[C@H]1C[C@H](O)CN1 269211150 AWSXIVJDBYAGFJ-QWHCGFSZSA-N 278.327 0.696 0 50 CCAA CSCC[C@@H](CO)n1cnc2nccnc2c1=O 584889405 WFDYWZQVTAOKFV-QMMMGPOBSA-N 266.326 0.473 0 50 CCAA CCC1=NO[C@@H](C(=O)NC2CCS(=O)(=O)CC2)C1 670438022 QNAWGYBHURBQJB-SNVBAGLBSA-N 274.342 0.235 0 50 CCAA COc1nc(NCCN2CCC[C@@H](CO)C2)ncc1F 670471709 QGTKSVXVVNTVGK-SNVBAGLBSA-N 284.335 0.741 0 50 CCAA CC1(C)NC(=O)C[C@H]1C(=O)OCc1noc(C2CC2)n1 1875293519 STQXNLXPQWNVHE-QMMMGPOBSA-N 279.296 0.905 0 50 CCAA CC(C)C[C@H]1CN(C)CCN1C(=O)CCc1cn(C)nn1 886599866 INKPSHHGNHFDLO-AWEZNQCLSA-N 293.415 0.936 0 50 CCAA OC[C@]1(CNc2ncc(Cl)cn2)COC[C@@H]2CCCN21 1775292076 PAZBIGSUJAQVAL-WCQYABFASA-N 298.774 0.768 0 50 CCAA Cc1n[nH]c([C@@H]2CN(C[C@H]3CCCO3)CCO2)n1 246994145 NJGDWCFDZGYVJW-MNOVXSKESA-N 252.318 0.665 0 50 CCAA CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 51971691 JHBUFXKTKCCCKA-DTWKUNHWSA-N 259.302 0.777 0 50 CCAA in-vitro COC[C@H]1[C@@H](NC(=O)c2cc(C)on2)[C@H]2CCO[C@H]21 1565508444 PYIFDBLRWBMXLK-LLHIFLOGSA-N 266.297 0.763 0 50 CCAA COC(=O)C1=C(C)O[C@@H](CSc2nnc(N)[nH]2)C1 271756787 XMJMMPXCLZGKNZ-ZCFIWIBFSA-N 270.314 0.715 0 50 CCAA CC(C)CN(CC(=O)O)S(=O)(=O)C[C@@H]1CCOC1 547902929 FUYZACBCIIOQPZ-SNVBAGLBSA-N 279.358 0.395 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cc[nH]c1 644058956 OGJYFAAEKQUMKE-LBPRGKRZSA-N 251.286 0.121 0 50 CCAA C1CCN(CCN2CCOC[C@@]23CCOC3)CC1 193730661 FMKYKNGMSYVUBA-AWEZNQCLSA-N 254.374 0.964 0 50 CCAA c1c[nH]c(N2CCN(Cc3noc(C4CC4)n3)CC2)n1 565159062 VDXYXMYYYSMXES-UHFFFAOYSA-N 274.328 0.992 0 50 CCAA C[C@H]1CCOCCN1C(=O)c1cc2n(n1)CCCO2 762230967 NCROSBZUTJRQEL-JTQLQIEISA-N 265.313 0.917 0 50 CCAA Cc1c[nH]nc1C(=O)NCc1nc2cccnc2[nH]1 669619227 VVPDWIQUXULFPG-UHFFFAOYSA-N 256.269 0.919 0 50 CCAA Cc1cnn(CCN2CCC[C@@](O)(Cn3ccnn3)C2)c1 671448280 DTPMLWGMEQSDDD-AWEZNQCLSA-N 290.371 0.310 0 50 CCAA CCOCCOCCN1CCN(C)[C@H](c2nc(C)no2)C1 585117426 CHIOPPNMUXHVKD-ZDUSSCGKSA-N 298.387 0.720 0 50 CCAA CC1(C)CNC(=O)[C@@H]1NC(=O)N=c1ccc(C2CC2)n[nH]1 585120176 YILCLPWFCWZPAQ-NSHDSACASA-N 289.339 0.422 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3cccnc3N)C[C@@H]2O)n[nH]1 1529104425 PDWIHIKIHAPUFG-OCCSQVGLSA-N 287.367 0.731 0 50 CCAA Cc1ccc2c(C(=O)N[C@@H]3COCC[C@@H]3O)cnn2c1 1772706064 PSLXITHHAJQYNP-YPMHNXCESA-N 275.308 0.522 0 50 CCAA CC1(C)CC(N2C[C@@H]3CNC[C@@]3(CO)C2)CC(C)(C)N1 1772812684 OKFHBGZOLLTKPY-LRDDRELGSA-N 281.444 0.809 0 50 CCAA COc1cccc(CN2CCN(CCO)CC2)c1OC 19606837 GCMSGOVSDQHNTO-UHFFFAOYSA-N 280.368 0.814 0 50 CCAA COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCC(=O)O 859067 KOWCWWKYFNAVAK-XBXARRHUSA-N 292.247 0.339 0 50 CCAA Nc1cncc(N2CCN(Cc3ccco3)CC2)n1 1857674589 OTIQADUJNSORKM-UHFFFAOYSA-N 259.313 0.974 0 50 CCAA CCOCC(=O)N1[C@H](C)CC[C@@H]2O[C@@H](C(=O)OC)C[C@H]21 252481309 CISJZQJWEPXTCU-WISYIIOYSA-N 285.340 0.733 0 50 CCAA CCC(C)(C)C(=O)N1CCN([C@H]2CCNC2)CC1 261581248 QLYVFQRMHSUJJU-LBPRGKRZSA-N 253.390 0.929 0 50 CCAA COC[C@H](C)S(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3OC 375677357 HYKLYFQNAFUKEC-NFXCPBFJSA-N 289.397 0.706 0 50 CCAA C[C@@H]1C[C@H](C(=O)N2CC[C@@](F)(C(=O)O)C2)CCO1 262803417 RZILPDGMPFTJJW-LNLATYFQSA-N 259.277 0.827 0 50 CCAA O=C(O)C1CCN(C(=O)[C@H]2CCn3cncc3C2)CC1 821509304 NDRPIQCIRBGKEU-NSHDSACASA-N 277.324 0.769 0 50 CCAA CC1(C)CNC(=O)[C@H]1NCc1ccc2nonc2c1 931655705 LWXXLGLMNREWHX-LLVKDONJSA-N 260.297 0.837 0 50 CCAA NC(=O)[C@]1(O)CCCN(c2cc(C(F)(F)F)ccn2)C1 225475586 NZGXOJCYGMRZPS-NSHDSACASA-N 289.257 0.917 0 50 CCAA O=C(O)c1ccccc1CN1CCn2ncnc2C1 577286089 OWSCAWYONJDNQA-UHFFFAOYSA-N 258.281 0.992 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)c1sc(=N)[nH]c1C 386706533 SIKRBYIZUYAPLG-YUMQZZPRSA-N 271.342 0.398 0 50 CCAA O=C(N[C@H](CO)Cc1ccccc1)c1ccncn1 396422128 ILMOBLUVFZICDO-LBPRGKRZSA-N 257.293 0.810 0 50 CCAA COc1cccc(C(=O)N2C[C@H](O)[C@@H](F)C2)c1F 1615751453 CZMPHXMCRASATE-IUCAKERBSA-N 257.236 0.989 0 50 CCAA C[C@@H]1NC(=O)OC12CN(C(=O)[C@@]13CCC[C@@H]1C3)C2 2325783301 MKWFMQQGUFVQNL-YGOYTEALSA-N 250.298 0.886 0 50 CCAA C=CC(=O)NCCC(=O)N1c2ccccc2C[C@H]1CO 912321561 JSGDXZVRSIGXFJ-LBPRGKRZSA-N 274.320 0.629 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)c2ccco2)CC1 102836 LEBYYVQZJKOMHS-UHFFFAOYSA-N 251.286 0.719 0 50 CCAA O=C(O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 301237 VGMULOZGMOSVOZ-SNVBAGLBSA-N 285.321 0.842 0 50 CCAA CS(=O)(=O)N(CC(N)=O)c1cccc(C(F)(F)F)c1 379611 DAMSSSDKLAKYIL-UHFFFAOYSA-N 296.270 0.957 0 50 CCAA O=C(O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 155550 HMVAVIKQXATKEL-UHFFFAOYSA-N 269.322 0.615 0 50 CCAA Cn1c(C(=O)NCc2ccccc2)cc(=O)n(C)c1=O 1425236 NOZIHWRPFOBUBY-UHFFFAOYSA-N 273.292 0.014 0 50 CCAA O=C(c1cnc2cccnn12)N1CCC[C@@]12CCCNC2=O 2356141127 WDFOLMCVFUTITA-OAHLLOKOSA-N 299.334 0.614 0 50 CCAA Cc1cnccc1NCCNC(=O)c1c[nH]c(=O)cn1 67908354 CKROUHCALCHTHC-UHFFFAOYSA-N 273.296 0.315 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1CC(=O)N(C)Cc1ccco1 344385653 QONWGAMIKNIODN-GXTWGEPZSA-N 296.367 0.974 0 50 CCAA O=C1NC(=O)[C@H](Cc2nc(Cc3ccccc3)n[nH]2)N1 65465897 JDUSBYBFDWBQGI-VIFPVBQESA-N 271.280 0.146 0 50 CCAA Cc1nc(CCN)cc(N2CCCC[C@@H]2CC(N)=O)n1 67674761 IVWZVRSIGJZIQG-GFCCVEGCSA-N 277.372 0.521 0 50 CCAA CCN1CCN([C@@H](C)CNS(=O)(=O)C2CC2)CC1 170603646 ZABGGZWUFQKPPP-NSHDSACASA-N 275.418 0.094 0 50 CCAA O=C1[C@H]2CCCCN2C(=O)N1CCCN1CCOCC1 170607720 ANZDZORMELKJSG-GFCCVEGCSA-N 281.356 0.525 0 50 CCAA CCNC(=O)CN1CCN(Cc2coc(C)n2)CC1 72169586 YRFWNQJMGKJSIC-UHFFFAOYSA-N 266.345 0.237 0 50 CCAA Cc1cc(N)n(CC(=O)N2CCC[C@@H](c3ncn[nH]3)C2)n1 216497517 WYRCTZGWQHDXNI-SNVBAGLBSA-N 289.343 0.298 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC([C@H]2CCOC2)CC1 369908548 MZPOBJCKTJLMEC-ZDUSSCGKSA-N 280.368 0.954 0 50 CCAA CN(C)C/C=C/C(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 493331841 GQJQUFRHAGLLIQ-RGDDUWESSA-N 295.427 0.673 0 50 CCAA CC(C)(C)c1cc(C(=O)N2CCO[C@H](C(=O)O)C2)no1 262918087 DNQHOXJEFBUWKT-VIFPVBQESA-N 282.296 0.898 0 50 CCAA CC(=O)NCCNc1cc(C2CC(N)C2)nc(N(C)C)n1 220273357 IYIDYJRZEPAVIP-UHFFFAOYSA-N 292.387 0.295 0 50 CCAA CO[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 171965039 WOVGTUPAPNSHFV-GHMZBOCLSA-N 263.359 0.464 0 50 CCAA COCCN1C[C@H](Cc2cncc(N(C)C)n2)CC1=O 223860537 HGNCQHHRNDXNFI-LLVKDONJSA-N 278.356 0.580 0 50 CCAA COC[C@@H]1CN(Cc2noc(C3CC3)n2)CCO1 172886664 AJARETKPQPEFDB-JTQLQIEISA-N 253.302 0.794 0 50 CCAA CCc1n[nH]c(SCC(=O)N(C)CCn2ccnc2)n1 220434150 BELCLPHTBKAAMT-UHFFFAOYSA-N 294.384 0.814 0 50 CCAA Cc1nn(C(C)C)c(C)c1C(=O)NCc1nc(N)n[nH]1 426571691 XPOPNTWVKRZXTR-UHFFFAOYSA-N 277.332 0.711 0 50 CCAA COCCCn1cnnc1-c1nc2c([nH]1)CCCNC2=O 95380766 FUYDJXBACYIGJK-UHFFFAOYSA-N 290.327 0.381 0 50 CCAA c1nc(CCn2cnnn2)n(-c2ccc3c(c2)CCC3)n1 97505516 MBXQBNPFCTUJMK-UHFFFAOYSA-N 281.323 0.985 0 50 CCAA Cn1ccc2c(OCC(=O)Nc3nnn[nH]3)cccc21 253414719 YITZIVQCESLRKP-UHFFFAOYSA-N 272.268 0.709 0 50 CCAA CNC(=O)[C@@H](C)NC(=O)c1ccc(N2CCC2)nc1 621702379 TZQNIKRFHQDLLY-SECBINFHSA-N 262.313 0.156 0 50 CCAA Cc1cc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)on1 299744118 NOZAUJODWBUKTF-YPMHNXCESA-N 297.330 0.754 0 50 CCAA Cc1c[nH]c(CNS(=O)(=O)N(C)C(C)C)c(C)c1=O 534655251 SFIXOADNATVQSI-UHFFFAOYSA-N 287.385 0.666 0 50 CCAA O=C1OCC2(CCN(C(=O)[C@H]3CCCNC3)CC2)O1 534645900 UASAZDIQDLMEIS-JTQLQIEISA-N 268.313 0.514 0 50 CCAA CCC[C@H](N)C(=O)NCCCn1c(C)cccc1=O 299802727 NYXJQRFBFPWFPE-LBPRGKRZSA-N 265.357 0.790 0 50 CCAA Cc1nnnn1CCC(=O)NCCc1cn2ccccc2n1 299760342 QJLAQRMKYZWIGU-UHFFFAOYSA-N 299.338 0.378 0 50 CCAA Nc1cc(O)nc(CCN[C@H]2CCCSC2)n1 584895714 NAVCKIMUWSNMNK-QMMMGPOBSA-N 254.359 0.792 0 50 CCAA CCc1nn(C)c2c(=O)n(Cc3n[nH]c4c3CCC4)cnc12 584887181 JVLUIHQHZQYCBB-UHFFFAOYSA-N 298.350 0.953 0 50 CCAA O=C(NCCc1noc(CO)n1)[C@@H]1CCc2ccccc21 670445187 GBMJLEBLYKYDSL-GFCCVEGCSA-N 287.319 0.951 0 50 CCAA Cc1nc(C)c(C(=O)NCCc2nc(N)cc(O)n2)s1 584903887 DIXHNILAFQONEG-UHFFFAOYSA-N 293.352 0.810 0 50 CCAA CS(=O)(=O)Nc1ccc([C@@H]2CNC[C@H](N)C2)cc1 757216235 ZGTPKLKJOABJCW-WDEREUQCSA-N 269.370 0.462 0 50 CCAA C[C@@]1(CO)CN(C(=O)c2ccc(O)cn2)C[C@]1(C)CO 1454689467 CNDMLKVKEOTCEF-OKILXGFUSA-N 280.324 0.240 0 50 CCAA C[C@H]1CN(C(=O)Cc2cncnc2O)C[C@]1(O)C1CC1 1565513818 YXDOKFAGMZSPHW-LKFCYVNXSA-N 277.324 0.344 0 50 CCAA COC(=O)[C@@H]1CC(c2cc(OC)c(OC)nc2OC)=NO1 78494367 JZJKZZCXYFTQFD-JTQLQIEISA-N 296.279 0.773 0 50 CCAA in-vitro CC(=O)N1CC(C(=O)N2CCC[C@@H]2CCCO)C1 408288123 VPQZGLFSSXMTQK-GFCCVEGCSA-N 254.330 0.228 0 50 CCAA N[C@@H](CC(=O)Nc1ccn([C@@H]2CCNC2)n1)c1ccccc1 548019104 YELGQJZOLWXHRP-KGLIPLIRSA-N 299.378 1.446 0 50 CCAA CC[C@@H](NC(=O)C1(O)CNC1)c1c(C)noc1C 662804537 AUKUXXKIQZSCHK-SECBINFHSA-N 253.302 0.193 0 50 CCAA C[C@@H]1CNCCN1S(=O)(=O)c1cccc(F)c1F 193354658 AFORJAVLDPLGEN-MRVPVSSYSA-N 276.308 0.947 0 50 CCAA CC(C)CN1CCN(C(=O)c2cnn(C)n2)[C@@H](C)C1=O 790970023 CPDCZTJPHICWJD-JTQLQIEISA-N 279.344 0.144 0 50 CCAA CN1CCO[C@@H](C(=O)N2CC(Nc3ccccc3)C2)C1 1615000922 HICJJYCZOXZOQZ-CQSZACIVSA-N 275.352 0.640 0 50 CCAA C[C@H]1CN(c2ccc(-c3nccn3C)nn2)CC(=O)N1C 1506407954 AAMKIRDCFQCVOF-JTQLQIEISA-N 286.339 0.544 0 50 CCAA Cc1ccc2nc(CN(C)C(=O)[C@H]3C[C@@H](O)CN3)[nH]c2c1 1506429268 WNANUGGICNFPQK-ZWNOBZJWSA-N 288.351 0.553 0 50 CCAA C[C@@H](NC(=O)N(C)CCN(C)C1CCCC1)C(=O)O 1506405207 CWGQEFCKDBNOEI-SNVBAGLBSA-N 271.361 0.975 0 50 CCAA CCOCC(=O)N1CCC(C(=O)Nc2nccn2C)CC1 1529099906 HBFQFSXNAZXBLO-UHFFFAOYSA-N 294.355 0.634 0 50 CCAA O=C(NCCC12CCCN1CCC2)c1cnc(O)cn1 222548254 PLXHGXUKQKMMBR-UHFFFAOYSA-N 276.340 0.931 0 50 CCAA CCN(CC)CCNC(=O)c1nc(C2CC2)nn1C 454153220 IQSVIKVEFWYGDN-UHFFFAOYSA-N 265.361 0.764 0 50 CCAA N=c1nc(S[C@@H](Cc2ccccc2)C(N)=O)[nH][nH]1 351632878 YADKJXITHOXTAH-QMMMGPOBSA-N 263.326 0.406 0 50 CCAA COC(=O)C(=O)NC[C@H]1COc2ccccc2O1 4008757 SAENSRHVXCAWNG-QMMMGPOBSA-N 251.238 0.116 0 50 CCAA O=C1CO[C@@]2(CCN(C(=O)c3cccn3C3CC3)C2)CN1 1772804924 FANQKIMXJURRIG-HNNXBMFYSA-N 289.335 0.554 0 50 CCAA CC[C@H](C(=O)O)N1CCCN(C(=O)c2cc(C)on2)CC1 1772813110 WKKAHHHQHZMBBP-GFCCVEGCSA-N 295.339 0.994 0 50 CCAA CCOC(=O)N1CCC(N2C[C@H]3CNC[C@@]3(CO)C2)CC1 1772707044 YVFZNCOTLLGTPG-DOMZBBRYSA-N 297.399 0.121 0 50 CCAA Cn1nccc1[C@H]1[C@H](C(=O)O)CCC(=O)N1C1CC1 159895578 NPNXGLHTMSDKNU-BXKDBHETSA-N 263.297 0.947 0 50 CCAA O=C(CCCc1cn[nH]c1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857715547 WUFTXHMWYYQYGH-RDBSUJKOSA-N 293.367 0.731 0 50 CCAA O=C(N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1ccncc1 1857738944 FVPMXKGLWQWISV-RDBSUJKOSA-N 291.351 0.036 0 50 CCAA C[C@@H]1CCc2c(sc3ncn(C[C@@H](O)CO)c(=O)c23)C1 2889572 IQZZQILIOMSESF-RKDXNWHRSA-N 294.376 0.936 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)c2ccc3n[nH]cc3c2)C1 630254311 QIEUHOTVLCOCIH-CQSZACIVSA-N 289.291 0.879 0 50 CCAA CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5=O 22065588 HNJBQZPKNKFLFM-CBEJNMEVSA-N 299.326 0.838 0 50 CCAA in-vitro NCCNC(=O)[C@H](c1ccccc1)N1CCCCC1=O 158676874 RPUBPRRPGZTHJD-AWEZNQCLSA-N 275.352 0.815 0 50 CCAA O=C(O)C1CC(NS(=O)(=O)c2ccc3c(c2)COC3)C1 871638244 ZUGQQLKMSRSXFD-UHFFFAOYSA-N 297.332 0.858 0 50 CCAA O=C([C@H]1CCCN1[C@H]1CCS(=O)(=O)C1)N1CCCC1 1875254881 QBDBESFVGXQWOL-NWDGAFQWSA-N 286.397 0.260 0 50 CCAA O=C1NC(=O)C2(CN(c3cc(Br)ccn3)C2)N1 1875287985 IVEMAXOPOXUEKD-UHFFFAOYSA-N 297.112 0.242 0 50 CCAA O=C([C@@H]1C2CCN1CC2)N1CCO[C@@]2(CCOC2)C1 1875329498 ZGCMTGHILLVPKR-JSGCOSHPSA-N 266.341 0.099 0 50 CCAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCN2CCOCC2)C1 888079195 JWQYFFMPKRPUCM-CHWSQXEVSA-N 280.372 0.504 0 50 CCAA O=C([C@@H]1CCCc2nn[nH]c21)N1CC(N2CCCC2=O)C1 888750344 QITGXWCSTDZVKM-SNVBAGLBSA-N 289.339 0.058 0 50 CCAA O=C1CN(CC[C@@H](N2CCOCC2)C(F)(F)F)CCN1 1775999388 QJCFTZIVFDISER-SNVBAGLBSA-N 295.305 0.071 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@@H]1CCC[C@H]1N 237134940 UKHJXKIWASVPMP-GHMZBOCLSA-N 253.346 0.195 0 50 CCAA CCOC(=O)c1nccn1CCN1CCCC1=O 71749600 UZUYXJFQFQNHQZ-UHFFFAOYSA-N 251.286 0.682 0 50 CCAA CC(C)c1ncc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)[nH]1 2325779294 VUTLLHIBNISUSF-MRVPVSSYSA-N 269.326 0.574 0 50 CCAA CN1C(=O)[C@H](C(=O)NC[C@H]2C[C@@H](O)C2)Cc2ccccc21 2325781117 MGKLRKOVWNQYIM-UHTWSYAYSA-N 288.347 0.709 0 50 CCAA CC(C)n1ncc(C(=O)N2[C@@H](C)SC[C@H]2C(=O)O)n1 2325820565 AVSWGAGFOYBGBB-APPZFPTMSA-N 284.341 0.847 0 50 CCAA O=S(=O)(Nn1cnnc1)c1ccc(Cl)cc1 299300 DGTXHPKSYQLFIJ-UHFFFAOYSA-N 258.690 0.864 0 50 CCAA CC(C)(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 796197 CTNQTAPQOHOROW-UHFFFAOYSA-N 262.375 0.573 0 50 CCAA O[C@H]1CCCN(c2ccnc(N3CC[C@@H](O)C3)n2)C1 2356154401 URPXGZKJTQPOQV-WDEREUQCSA-N 264.329 0.009 0 50 CCAA CO[C@@H]1C[C@@H](C(=O)N2CCCC2)CC[C@H]1NC(C)=O 2356169039 SSRLIZJKVRRRIP-YNEHKIRRSA-N 268.357 0.929 0 50 CCAA O=C(O)CNC(=O)c1cc(Br)ccc1O 4904533 MLEJEEMJARTMHI-UHFFFAOYSA-N 274.070 0.969 0 50 CCAA COCCNC(=O)CCCCC(=O)NCCOC 4905288 MQDDDWLXEYMEMN-UHFFFAOYSA-N 260.334 0.072 0 50 CCAA CO[C@H]1C[C@@H](CO)N(S(=O)(=O)CCC(C)C)C1 310101109 BLVVTFYYGCOGIJ-QWRGUYRKSA-N 265.375 0.444 0 50 CCAA CN(CC1CC1)C[C@@H]1CN(C(=O)c2cnns2)CCO1 328636500 OBCBHKHULWSFGS-LLVKDONJSA-N 296.396 0.721 0 50 CCAA NCCCCNC(=O)CCNC(=O)c1ccc(F)cc1 65384429 IMLIDJXGYAEKKC-UHFFFAOYSA-N 281.331 0.801 0 50 CCAA CN(C(=O)c1cnc([C@@H]2CCCO2)s1)[C@@H]1COC[C@H]1O 329369915 JQDACXYXKXNTJD-BBBLOLIVSA-N 298.364 0.826 0 50 CCAA O=S(=O)(c1cnc2n1CCC2)N1CC2(CCCOC2)C1 329681190 YDGNMOCSSCXKFO-UHFFFAOYSA-N 297.380 0.630 0 50 CCAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1O 39189974 VVSWDMJYIDBTMV-UCKQBZRPSA-N 282.292 0.194 0 50 CCAA in-vitro Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCn1ncnn1 332728292 UWIPDBWKUZEBTP-UWVGGRQHSA-N 277.353 0.963 0 50 CCAA O=C(NC1C[C@@H]2C[C@H]2C1)[C@@H]1CCCCS1(=O)=O 333397769 FCYUVVMTFPLFLN-QXEWZRGKSA-N 257.355 0.868 0 50 CCAA CCc1csc(CNC(=O)CN2CC[C@@H](N(C)C)C2)n1 218971783 YJIFBSTZOFVSCG-GFCCVEGCSA-N 296.440 0.958 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)CCCn1cncn1 219607312 BSAHQWBYHRLBEJ-GFCCVEGCSA-N 276.344 0.850 0 50 CCAA CN(C)C[C@@]1(O)CCCN(Cc2nccn2C)C1 72454243 ZCONWDHYOPIHIO-ZDUSSCGKSA-N 252.362 0.309 0 50 CCAA CCN1CCC[C@H]1CNC(=O)CCS(C)(=O)=O 75489715 BRRITUSWYALBPD-JTQLQIEISA-N 262.375 0.022 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C)N[C@H](C)C1 247296098 OHMNGQXFDHOEOH-WCABBAIRSA-N 271.386 0.117 0 50 CCAA COC(=O)[C@@H](N)Cc1cc([C@H]2CCCN2C(C)=O)no1 44126722 QXCMWXOKADMCSS-CMPLNLGQSA-N 281.312 0.401 0 50 CCAA COCc1ccc(C(=O)N2CCO[C@H](C(=O)O)C2)o1 262926579 FQGBAHOXRRMRES-JTQLQIEISA-N 269.253 0.352 0 50 CCAA c1nc(NCCCN2CCOCC2)cc([C@@H]2CCOC2)n1 426580691 HCIQZWHYSSXDMK-CYBMUJFWSA-N 292.383 1.115 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N1CCCC[C@H]1CC(=O)O 426415711 ZNWURFZNGHNKOU-VIFPVBQESA-N 281.312 0.822 0 50 CCAA Cn1ccnc1C1CCN(S(=O)(=O)N2CCCC2)CC1 91416421 KDIHXIHNBZCGFZ-UHFFFAOYSA-N 298.412 0.940 0 50 CCAA CC[C@H]1CN(Cc2cnn(CCC(=O)O)c2)CCN1C 97813651 MFLZVFKESJAPDN-ZDUSSCGKSA-N 280.372 0.884 0 50 CCAA Cc1nc2ccccn2c1CC(=O)NCCc1nc(N)n[nH]1 426399349 DPYYUNWTHYCVRF-UHFFFAOYSA-N 299.338 0.244 0 50 CCAA CC(C)N1CCC[C@@H](C(=O)NCCc2cc(=O)[nH]cn2)C1 95518182 NTMCHZUIDMLJRO-GFCCVEGCSA-N 292.383 0.549 0 50 CCAA CN(CC[C@@H]1CCCCO1)CC(=O)N1CCOCC1 347397326 FQJLOTCJNHGWIB-ZDUSSCGKSA-N 270.373 0.736 0 50 CCAA O=C1[C@H]2OC[C@@H](O2)[C@@H]2ON=C(c3ccc4c(c3)OCO4)[C@H]12 247714439 MLNVNWPJCRTWRD-JYILRKAJSA-N 289.243 0.459 0 50 CCAA COc1cccc(OCCNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1 299747950 FNUWPECBAQNAGP-NEPJUHHUSA-N 279.292 0.911 0 50 CCAA NC(=O)CN(CCC1CCCCC1)C(=O)[C@H]1C[C@H]1C(=O)O 299749276 JUKGDYATSLVSAW-NWDGAFQWSA-N 296.367 0.991 0 50 CCAA NC(=O)[C@H](O)C1CCN(C[C@@H](O)c2ccccc2F)CC1 299745692 RVSJFPANITVJDI-ZIAGYGMSSA-N 296.342 0.417 0 50 CCAA O=C1CC[C@H](NCCn2ccnn2)CCN1CC1CC1 534651702 UGARUCSEVYBWLE-ZDUSSCGKSA-N 277.372 0.659 0 50 CCAA CCOC(=O)N1CC[C@@H](NCCn2cncn2)C1 534671643 MVVQGKNRCSCXTB-SNVBAGLBSA-N 253.306 0.099 0 50 CCAA NC(=O)C1(NC(=O)NCCn2cccc2)CCCC1 534657593 ZAMSGASCYYSKFD-UHFFFAOYSA-N 264.329 0.585 0 50 CCAA COCCN1CCC[C@@H](CNC(=O)c2csc(N)n2)C1 299801198 WBLCTWRFRLRLIM-JTQLQIEISA-N 298.412 0.814 0 50 CCAA COCCN1CCC(CNC(=O)c2cnc[nH]2)CC1 299760108 RNHPIKRLLNPDEJ-UHFFFAOYSA-N 266.345 0.498 0 50 CCAA COc1ccnc(NCC2(N(C)C)CCN(C)CC2)n1 670462958 IPGXVOMUKZBJPV-UHFFFAOYSA-N 279.388 0.923 0 50 CCAA Cc1nnc(N2CCN(C(=O)O[C@@H]3CCOC3)CC2)s1 952850089 TTYUPKQFGAJZHB-SNVBAGLBSA-N 298.368 0.894 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@@H]1CCCN1C(=O)C1CC1 1875266572 GWSPSEFFOWQFEQ-MNOVXSKESA-N 268.313 0.224 0 50 CCAA Brc1ccnc(NCCn2cnnn2)c1 1875287114 VPHSOMPFILQAIN-UHFFFAOYSA-N 269.106 0.943 0 50 CCAA C=CC(=O)N1CCC(C(=O)N[C@H](C(N)=O)C(C)C)CC1 1875367007 JTZSFVLYRMMCNJ-LBPRGKRZSA-N 281.356 0.037 0 50 CCAA NC(=O)c1n[nH]c2ccc(NC(=O)C34CCN(CC3)C4)cc12 1875358878 MIIJQHWSNFDEBT-UHFFFAOYSA-N 299.334 0.696 0 50 CCAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1cc(F)c[nH]1 1875403679 YFVUURAALHQFTL-UFGOTCBOSA-N 292.314 0.920 0 50 CCAA CC(C)Cn1cc(NS(=O)(=O)c2cnc(N)nc2)cn1 877870875 HMSNAXLHDNTSRK-UHFFFAOYSA-N 296.356 0.712 0 50 CCAA Cn1c(=O)cc(C(=O)N2C[C@@H](O)[C@H](F)C2)c2ccccc21 952868970 FOBWMIJIYBPGFJ-DGCLKSJQSA-N 290.294 0.693 0 50 CCAA Cc1nc([C@H]2CCCN(C(=O)c3cnnc(O)c3)C2)n[nH]1 1412739928 FIGKVUNSTVRUQB-VIFPVBQESA-N 288.311 0.629 0 50 CCAA O=C1NC[C@H](O)CC12CCN(c1ncc(Cl)cn1)CC2 896337619 UZGTZLMAGCJZNL-SNVBAGLBSA-N 296.758 0.597 0 50 CCAA CCn1cc([C@@H](C)NC(=O)[C@H]2CN(C)CCO2)cn1 1337251882 FRDXFDMGPYLLJS-ZYHUDNBSSA-N 266.345 0.411 0 50 CCAA CC[C@H]1CN([C@H]2CCOC2=O)CCN1CCOC 247254511 UHIUFGNBIZVZLH-RYUDHWBXSA-N 256.346 0.345 0 50 CCAA CCOCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 388012406 IBVAKZSVDDJYRP-SECBINFHSA-N 251.348 0.055 0 50 CCAA C[C@@H](CC(=O)NCCCC(=O)O)C1CCNCC1 1326957589 XPRHLQFEZPKQNV-JTQLQIEISA-N 256.346 0.993 0 50 CCAA O=C(O)[C@H]1CCC[C@H](C(=O)N2CCS(=O)(=O)CC2)C1 111472409 JPVYPOHTNDYSCD-UWVGGRQHSA-N 289.353 0.134 0 50 CCAA CC(C)c1cc(N2CC(=O)N[C@H](C)C2)n2ncnc2n1 516848276 OKWITEWKURUWKO-SECBINFHSA-N 274.328 0.572 0 50 CCAA Oc1nc(N2CCO[C@H]3CCC[C@@H]32)nc2[nH]ncc12 280663050 XSVHPSDHIPQMMJ-IUCAKERBSA-N 261.285 0.816 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)CC(C)(F)F)C1 644035561 RVSZXXGMDWMFCI-GFCCVEGCSA-N 278.299 0.521 0 50 CCAA O=C(COC[C@@H]1CCCO1)N=c1nc(C2CC2)[nH]o1 584906939 XXLJWNYBWHYALS-VIFPVBQESA-N 267.285 0.503 0 50 CCAA C[C@H](CC(=O)N1CC(O)(C(N)=O)C1)Cc1cccc(F)c1 585128794 NRFJSCPXPHDNBD-JTQLQIEISA-N 294.326 0.453 0 50 CCAA CN1CCO[C@@H](C(=O)N(C[C@@H]2CCCN2)C2CC2)C1 186527214 AROOAZNMAAIWBF-WCQYABFASA-N 267.373 0.060 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NC1(C(=O)O)CCC1 164887506 XYPPBVSQZVEYPY-UHFFFAOYSA-N 251.286 0.693 0 50 CCAA CN1CC[C@H](NS(=O)(=O)C[C@H]2CC[C@@H](F)C2)CC1=O 1615585399 DYBYMZNSVQARJC-AXFHLTTASA-N 292.376 0.665 0 50 CCAA COc1cc(O)ncc1C(=O)N1C[C@H]2CCC[C@]2(N)C1 1615554899 VWPFCKCGAFBNNB-OTYXRUKQSA-N 277.324 0.749 0 50 CCAA COC(=O)c1cncnc1N1CC(NC2CCC2)C1 1616034465 LWUPRTUTMVFKPC-UHFFFAOYSA-N 262.313 0.594 0 50 CCAA Nc1nc(I)c2nc[nH]c2n1 6886310 CQYPNVKLVHHOSJ-UHFFFAOYSA-N 261.026 0.540 0 50 CCAA in-vitro CN(Cc1cnn(C)c1)C[C@H]1CCC(=O)N(C)C1 1772814681 NOBDQIWDNWCLOH-LLVKDONJSA-N 250.346 0.720 0 50 CCAA COc1nscc1Cn1cncc(OC)c1=O 1653001213 YRFNAACURYOSMI-UHFFFAOYSA-N 253.283 0.765 0 50 CCAA O=C1N[C@H](C(=O)NCc2cccn3nccc23)CO1 1857667260 AJYQHKMWKSRGOM-VIFPVBQESA-N 260.253 0.059 0 50 CCAA C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)O)CC2)C1 237583276 OGSOVLMYLBBFSE-CHWSQXEVSA-N 297.399 0.384 0 50 CCAA CCCN(Cc1nnc(C)o1)[C@H]1CC(=O)N(C)C1=O 253392425 DEQAAFGXWBVZCE-VIFPVBQESA-N 266.301 0.347 0 50 CCAA O=C(O)c1ccc(CN2CCC([C@H](O)CO)CC2)cc1 1772711146 FSSHDTWYFVFQGA-CQSZACIVSA-N 279.336 0.950 0 50 CCAA CC(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2C)C[C@@H]1C 945323272 XAZKOTRUMICJFO-ONGXEEELSA-N 264.329 0.705 0 50 CCAA O=C(Nc1nccs1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239339001 LOOXMJGTOKUUCL-XUTVFYLZSA-N 266.278 0.736 0 50 CCAA CC(C)[C@H](O)CCN[C@@H]1CCC[C@H]1S(C)(=O)=O 253370974 YXYYEXWTJVOPOY-IJLUTSLNSA-N 263.403 0.949 0 50 CCAA CCOC(=O)Cn1nnc(-c2ccc3c(c2)OCO3)n1 90194 LWKTYCUWNCNVIJ-UHFFFAOYSA-N 276.252 0.632 0 50 CCAA CCOc1ccc(NC(=O)C(=O)NC[C@@H](C)O)cc1 2284453 XHYVZFJWPSLPAM-SECBINFHSA-N 266.297 0.521 0 50 CCAA O=C(NN1CCCCC1=O)c1cc2n(n1)C[C@@H](F)C2 2325776085 IAYWFEBJGMFQJD-QMMMGPOBSA-N 266.276 0.435 0 50 CCAA COc1ccc(C)cc1S(=O)(=O)N(C)CC(N)=O 1076108 JMEWYJUEIQQLQX-UHFFFAOYSA-N 272.326 0.109 0 50 CCAA CNC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 20120025 WKVIORQZMQSFOQ-UHFFFAOYSA-N 250.254 0.850 0 50 CCAA Cn1ccn2ncc(C(=O)N3CC[C@]4(CCCNC4)C3)c12 67743116 PEKANCZZYAOOFB-HNNXBMFYSA-N 287.367 0.889 0 50 CCAA CCc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)n[nH]1 136130752 OYEOAIGTQFSUFU-MRVPVSSYSA-N 251.286 0.909 0 50 CCAA CCN1CCC(NC(=O)N2CCCN(C)C(=O)C2)CC1 239782552 CPCDSMGBMJOMDB-UHFFFAOYSA-N 282.388 0.344 0 50 CCAA CC1(Cn2cc(C(=O)N3CC(F)C3)nn2)COC1 329507806 JCDIPLRAVOORFF-UHFFFAOYSA-N 254.265 0.109 0 50 CCAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2nc(N(C)C)no2)C1 284600491 LHSNXLPUEIVWHS-BDAKNGLRSA-N 293.331 0.216 0 50 CCAA O=C1C[C@@H](N=c2nc(-c3ccncc3)[nH]c3c2CCC3)CN1 354050270 XJKJTSNNTIGPTM-LLVKDONJSA-N 295.346 0.750 0 50 CCAA CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C)n1 35061819 DVRHLZHHZZWTOJ-CYBMUJFWSA-N 291.351 0.644 0 50 CCAA O=C(COc1cccc(F)c1)NC[C@H]1CC[C@@H](CO)O1 356545470 JDOGUMCSHREPDT-OLZOCXBDSA-N 283.299 0.861 0 50 CCAA CCc1ncc(CN2CCN(C)[C@H](CO)C2)cn1 215358139 CEOCCEXRPAIYBX-LBPRGKRZSA-N 250.346 0.147 0 50 CCAA NC(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 72168699 RCMIVFKQVRYYOQ-NSHDSACASA-N 299.733 0.655 0 50 CCAA Cn1cncc1C(=O)N1CCC[C@@](O)(CN2CCCC2)C1 77487786 UUJBXLCIMHNUFH-OAHLLOKOSA-N 292.383 0.483 0 50 CCAA Cc1ccsc1C(=O)N1CCN2C(=O)NC[C@H]2C1 176249018 FLEJEKLMTSXTJB-VIFPVBQESA-N 265.338 0.906 0 50 CCAA C[C@H]1OCC[C@@]12CN(C(=O)Cc1cncn1C)CCO2 527478758 DXHNRHDUMUQJTB-BXUZGUMPSA-N 279.340 0.369 0 50 CCAA CC[C@H](NC(=O)CNC(=O)N(C)C)c1ccnn1C 223793409 OAQUPHLHNUDTOH-VIFPVBQESA-N 267.333 0.259 0 50 CCAA CC(C)n1cnnc1CNC(=O)[C@@H](C)N1CCN(C)CC1 426423704 QCPVYHLKJPYZPJ-GFCCVEGCSA-N 294.403 0.111 0 50 CCAA Cc1nn(C)c(C)c1CN(C(=O)CN(C)CCO)C1CC1 426370241 DCGSGNAIWXGRCI-UHFFFAOYSA-N 294.399 0.452 0 50 CCAA O=C(CCCN1CCCCCC1)N[C@@H](CO)C(=O)O 426632832 CWSLIVTUCGFOQB-NSHDSACASA-N 272.345 0.204 0 50 CCAA CSCc1ccc(C(=O)N2CC[C@@H](N)[C@H](O)C2)o1 426621795 SIKNDNIJZRPFDU-NXEZZACHSA-N 270.354 0.677 0 50 CCAA O=C(NCC(=O)N1CCOCC1)c1ccnc2ccccc12 181061311 LBVBDBXHPWRDPF-UHFFFAOYSA-N 299.330 0.823 0 50 CCAA O=C1CNC(=O)N1Cc1nc(-c2ccccc2)n[nH]1 142794403 DBMFHOIMFQPPIJ-UHFFFAOYSA-N 257.253 0.524 0 50 CCAA O=C(NCCN1CCCC1)[C@H]1CCCCn2nnnc21 97638062 KOURREFFXYCGPC-NSHDSACASA-N 278.360 0.153 0 50 CCAA Cc1cnn(CCc2nc3c([nH]2)CCCNC3=O)c1 95510499 HOXGGNFRZKDWHB-UHFFFAOYSA-N 259.313 0.833 0 50 CCAA Cc1cc(=O)n(CC(=O)NC(C)(C)CN(C)C)nc1C 534630374 PZABPGSZXJTCJD-UHFFFAOYSA-N 280.372 0.317 0 50 CCAA CC(C)(C)OC(=O)N[C@H]1CCc2c(CO)nnn2C1 382707398 USECTCDQHMQMSD-QMMMGPOBSA-N 268.317 0.610 0 50 CCAA CC(C)(C)N1C[C@@H](CNC(=O)c2cnc(N)s2)CC1=O 584898626 QQWCUWULBUDRFO-MRVPVSSYSA-N 296.396 1.102 0 50 CCAA CNc1nc(NCCCN2CCC(O)CC2)ncc1F 824090527 BVJLBGHIQKSISV-UHFFFAOYSA-N 283.351 0.916 0 50 CCAA Cc1nonc1CC(=O)N(C)C[C@@H](C)N1CCOCC1 584890360 RENRRRBIAJXNIB-SNVBAGLBSA-N 282.344 0.100 0 50 CCAA COCC(=O)N[C@H]1CCOC[C@H]1Nc1ccnc(C)n1 952888094 YZFJVBMUWSJGAF-WDEREUQCSA-N 280.328 0.117 0 50 CCAA COc1nc(N)nc2c1cnn2Cc1noc(C2CC2)n1 952880764 XHHJRIBBKZWPMU-UHFFFAOYSA-N 287.283 0.726 0 50 CCAA O=C(Cc1ccc2c(c1)NC(=O)C2)NCCc1cncnc1 1875268689 HJKPQBPVBFSDLS-UHFFFAOYSA-N 296.330 0.873 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@H](C(C)C)N1CCCC1=O 1875273294 MPLWTWCDJGIAOL-LVDDQXARSA-N 282.340 0.479 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1cn(C)nc1C(C)C 1875366238 XVDMIYNDQOXZLS-UHFFFAOYSA-N 278.356 0.804 0 50 CCAA O=C1NC(=O)[C@@H](CCN2CCc3ccccc3CC2)N1 1875308191 UGYDNBQOADEYLI-CYBMUJFWSA-N 273.336 0.685 0 50 CCAA CO[C@H]1COCC[C@@H]1N(C)CC(=O)N1CCCC1 880425484 OMFWYVITZVLRDL-RYUDHWBXSA-N 256.346 0.345 0 50 CCAA CC1(NC(=O)c2cn([C@@H]3COC[C@H]3O)nn2)CC=CC1 888094072 BSLAYYGMRWGAHF-GHMZBOCLSA-N 278.312 0.049 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)Nc2cn[nH]c2)C1=O 888076035 QXMXPPDHCCDDIY-SNVBAGLBSA-N 266.301 0.376 0 50 CCAA O=C(CS(=O)(=O)C1CC1)N1CCc2ncccc21 888141618 FCUDVNBJICVVKH-UHFFFAOYSA-N 266.322 0.548 0 50 CCAA O=C1NCCCN1C1CCN(c2nccc(CO)n2)CC1 1776002465 RFDLTWVQHRVSND-UHFFFAOYSA-N 291.355 0.353 0 50 CCAA Cc1nsc2ncn(C[C@H](O)C3(O)CCC3)c(=O)c12 899884865 AHNIMDMMSGBMNP-QMMMGPOBSA-N 281.337 0.437 0 50 CCAA Cc1nc(CNS(=O)(=O)c2cn[nH]c2)cs1 41011416 XAMOXZAZKBSMAM-UHFFFAOYSA-N 258.328 0.653 0 50 CCAA CC1(C)CC(CC(=O)N2CC[C@@H](O)[C@@H](O)C2)CC(C)(C)N1 1565513801 HRGZYESVRXAZHE-OLZOCXBDSA-N 298.427 0.887 0 50 CCAA CC(C)n1cc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)O)C2)cn1 274930510 CHMKRDMNXHNDLW-VHSXEESVSA-N 299.352 0.772 0 50 CCAA CNC(=O)[C@H]1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1 224731556 FEOPHFOFVJSRPD-LBPRGKRZSA-N 290.319 0.983 0 50 CCAA O=C(NC1CCS(=O)(=O)CC1)c1cncc(O)c1 111739063 RSKCTDFVNIBHEN-UHFFFAOYSA-N 270.310 0.094 0 50 CCAA C[C@@H]1CN(c2nc(C(F)(F)F)ns2)CC(=O)N1 580156130 VCDUWZCILPLFOL-SCSAIBSYSA-N 266.248 0.882 0 50 CCAA C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(N)=O 585122174 PKLWMLWVTNZCGX-LBPRGKRZSA-N 275.352 0.595 0 50 CCAA CS(=O)(=O)CCN1CCOc2ccccc2C1 76848130 NXXVSOSMSZNYKS-UHFFFAOYSA-N 255.339 0.926 0 50 CCAA CN(C)C[C@@H]1COCCN(CCN2CCCC2=O)C1 1506410533 VJHQSDLOKBOWHS-ZDUSSCGKSA-N 269.389 0.119 0 50 CCAA CC(C)c1cc(C(=O)NC[C@@]2(O)CCCNC2)nc(N)n1 1506427572 NJVYZQJPLHXZKZ-CQSZACIVSA-N 293.371 0.027 0 50 CCAA O=C([C@@H]1CCCN1CCn1ccnc1)N1CCOCC1 1506431578 PRBGLGNJWPOQPR-ZDUSSCGKSA-N 278.356 0.206 0 50 CCAA CN1CCCN(C(=O)[C@]2(C)CC23CCNCC3)CC1 1857689911 OLSYYSQFNRIICJ-AWEZNQCLSA-N 265.401 0.930 0 50 CCAA OC[C@@H]1C[C@H]2[C@@H](C1)OCCN2CCCn1ccnc1 1875247325 ZWRQFBXJVSFDEJ-HZSPNIEDSA-N 265.357 0.745 0 50 CCAA O=C(O)CNc1ncc(CN2C[C@H]3C[C@@H](O)C[C@H]3C2)cn1 1800414510 RFPIFLPFPYIDHH-ZSBIGDGJSA-N 292.339 0.176 0 50 CCAA Cc1cccc(NC(=O)C(=O)NCCCO)c1C 2304494 RQKGZKJYLRFDAA-UHFFFAOYSA-N 250.298 0.741 0 50 CCAA O=C(NCC1(C(=O)O)CC1)C(=O)c1ccc(F)cc1 1601468105 SCFSOALIYZZQJR-UHFFFAOYSA-N 265.240 0.989 0 50 CCAA CCn1ccc(CC(=O)N2CCC[C@@H](C(=O)O)C2)n1 649472779 AHQXSNPLSTVCRE-SNVBAGLBSA-N 265.313 0.769 0 50 CCAA COc1ncc(CN2C[C@H](O)C[C@H]2CO)cc1Cl 547789224 SKYMTINTNYNERK-VHSXEESVSA-N 272.732 0.671 0 50 CCAA O=C1CCCCN1CCCC(=O)N1C[C@H](O)[C@@H](F)C1 1616111244 ZBBYXYQJUYMJSN-QWRGUYRKSA-N 272.320 0.320 0 50 CCAA Cc1nc2ncc3c(=O)n(-n4c(C)nnc4C)ccc3n2n1 12409638 GSJPFWGINSUSDM-UHFFFAOYSA-N 296.294 0.267 0 50 CCAA CC(=O)c1[nH]c(C)c(C(=O)N2C[C@H](O)CO2)c1C 1857687119 LKOOSFCTPPKFCQ-VIFPVBQESA-N 252.270 0.582 0 50 CCAA O=C(NCCc1ccc(F)cc1)[C@H]1C[C@@H](O)CN1 20433943 HTSFXVSWVVLVBT-VXGBXAGGSA-N 252.289 0.207 0 50 CCAA O=C(NCCc1cnccn1)N[C@@H]1c2ccccc2C[C@H]1O 378461462 KLIOZZHVDHRHDG-HUUCEWRRSA-N 298.346 0.977 0 50 CCAA C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccn(C)n2)[C@@H]1C 585126748 HMQUPDAYULSNHM-DJLDLDEBSA-N 250.302 0.158 0 50 CCAA O=C(c1cccc2c1OCCO2)N1CC[C@H](O)[C@H](CO)C1 396923145 SVEWSYUXCUYTHE-JQWIXIFHSA-N 293.319 0.273 0 50 CCAA O=C(Cc1cccnc1)N1CCC([C@@H](O)CO)CC1 1772811969 CQIVHHMZXRPLSV-ZDUSSCGKSA-N 264.325 0.216 0 50 CCAA Cc1ccnn1CC(=O)N1CCC[C@@]1(C)C(=O)O 902112595 KBOJPXGDRNBUHZ-LBPRGKRZSA-N 251.286 0.657 0 50 CCAA CC[C@@H]1OCC[C@H]1C(=O)NC1(c2nn[nH]n2)CC1 1775987919 YOAOLZIZPSEZIQ-SFYZADRCSA-N 251.290 0.120 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 822284934 ALKJSTXMIUNEDZ-CPOMMVLXSA-N 263.297 0.542 0 50 CCAA CN1CCN(C(=O)c2cc(F)ccc2F)CC1=O 152648547 XUERXKSIRUDWSK-UHFFFAOYSA-N 254.236 0.879 0 50 CCAA CC[C@H]1CCCCN1C(=O)CN1CCNCC1=O 163362023 OAVYNJHHQUOVEH-NSHDSACASA-N 253.346 0.209 0 50 CCAA CCn1cncc1CNC(=O)N1CCC[C@@H](O)C1 534660375 WKPLEALTQOSSHM-LLVKDONJSA-N 252.318 0.569 0 50 CCAA OCC(CO)n1cnc2c(N3C[C@H]4CC[C@H]3C4)ncnc21 2325759794 PVNKKUFHFWFCOF-UWVGGRQHSA-N 289.339 0.341 0 50 CCAA CC(=O)OCC(=O)CN1C(=O)c2ccccc2C1=O 397494 VNKCOUFSRAYCHL-UHFFFAOYSA-N 261.233 0.415 0 50 CCAA Cc1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1 2156452 RDUOAPKDKFEXDX-UHFFFAOYSA-N 252.269 0.488 0 50 CCAA O=C(COc1ccc2c(c1)CCC2)Nn1cnnc1 4748914 XTZRKLYYTJKKNH-UHFFFAOYSA-N 258.281 0.916 0 50 CCAA COc1ccccc1CNC(=O)c1nccnc1CO 6737394 NQMXRZRXFGGUTL-UHFFFAOYSA-N 273.292 0.908 0 50 CCAA O=C1C[C@H]2CC[C@@H](CN1)N2Cc1ccc(CO)o1 65455304 QUCZZBPBJPKWQM-ZJUUUORDSA-N 250.298 0.625 0 50 CCAA CN1CCN(C[C@H](O)COC2CCCCC2)CC1 23114596 KIGWICDVWDQCOL-ZDUSSCGKSA-N 256.390 0.944 0 50 CCAA Cc1nc(CN2CCC[C@H](N[C@@H]3C[C@@H](C)OC3=O)C2)no1 229430716 KJHWPHWUXQGEQO-ADEWGFFLSA-N 294.355 0.636 0 50 CCAA O=C(N1CCC(n2cccn2)CC1)[C@@]1(O)CCSC1 362119708 RDHIRYIQHOBVSN-CYBMUJFWSA-N 281.381 0.915 0 50 CCAA CCc1nnsc1C(=O)NC1CCN(C(C)=O)CC1 170601634 REOPYUIDBCLPLI-UHFFFAOYSA-N 282.369 0.841 0 50 CCAA CC(C)[C@H](CNC(=O)c1cccn(C)c1=O)N(C)C 71752218 OIGUAULBELIOPS-LBPRGKRZSA-N 265.357 0.701 0 50 CCAA Cc1nc2n(n1)CCN(c1ncnc3c1CN(C)CC3)C2 330207377 AFECDDIAJHITEA-UHFFFAOYSA-N 285.355 0.385 0 50 CCAA CCc1cnccc1C(=O)NCc1nnc(S)n1C 155123004 QCSUUSUHKHLZMU-UHFFFAOYSA-N 277.353 0.991 0 50 CCAA O=C1OCC[C@H]1N1CCc2c(nnn2-c2ccccc2)C1 366631384 RQSNGFRJJQDTHD-CQSZACIVSA-N 284.319 0.941 0 50 CCAA COC1(CNC(=O)N2CC[C@@H](c3nc[nH]n3)C2)CCC1 333349314 FBJXJMUQDVKAHQ-SNVBAGLBSA-N 279.344 0.873 0 50 CCAA Cc1cc(N)n(CC(=O)NCCc2cscn2)n1 215554893 QPNLEZVTGBFPLU-UHFFFAOYSA-N 265.342 0.589 0 50 CCAA COC(=O)[C@@H](NC(=O)[C@@H](N)CC(F)F)C(C)C 336721945 SOQGJAPSTSHMBN-XPUUQOCRSA-N 252.261 0.283 0 50 CCAA CC(C)[C@@]1(CO)CCN(CCS(=O)(=O)N(C)C)C1 377660171 UGRHDPOEZYNSCO-LBPRGKRZSA-N 278.418 0.218 0 50 CCAA Cn1c(CCNC(=O)[C@@H]2COCCN2)nc2ccccc21 237735868 KIYALNZZFGYDQS-LBPRGKRZSA-N 288.351 0.220 0 50 CCAA CC(=O)N1CCC[C@H](C(=O)N2CC(OC(F)F)C2)C1 334379219 HQUQNSNMXVNSCS-VIFPVBQESA-N 276.283 0.695 0 50 CCAA CCS(=O)(=O)N1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 242197014 XGYVSDWUQDRXSZ-UTLUCORTSA-N 260.359 0.455 0 50 CCAA CCCN1CCC[C@@H](CNC(=O)Cn2ccnn2)C1 426527617 AXOFZTNUXDKHDJ-LBPRGKRZSA-N 265.361 0.516 0 50 CCAA CCCc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)[nH]n1 44723702 CJDSBQQEWJKMBR-SECBINFHSA-N 285.369 0.527 0 50 CCAA Cc1nonc1CN(C)c1cc([C@@H]2CCOC2)nc(N)n1 426728318 SSIANIVWYQBURZ-SECBINFHSA-N 290.327 0.891 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCN2CCCC[C@H]2CO)[nH]1 426401612 DLSVHJIWAJXVHC-LBPRGKRZSA-N 293.367 0.260 0 50 CCAA CCN1C[C@H](C(=O)N(C)CCCc2cnn(C)c2)CC1=O 95383171 DVALMRIVEAHHKS-CYBMUJFWSA-N 292.383 0.680 0 50 CCAA O=C(c1cccc(Cn2cccn2)c1)N1C[C@@H](O)CO1 91690569 VGBJJJXWEFMHGX-CYBMUJFWSA-N 273.292 0.680 0 50 CCAA CNC(=O)[C@@H]1CCN(S(=O)(=O)Cc2ccc(C)cc2)C1 334976728 FLNQZWQAUKOPCO-CYBMUJFWSA-N 296.392 0.893 0 50 CCAA O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ncncc1Cl 176539208 LKENIKYZVUEUIU-SNVBAGLBSA-N 296.758 0.723 0 50 CCAA COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3CN(C)C[C@@H]3C2)CC1 239882262 DATOQIRDIWEZGQ-KLRUACNBSA-N 294.395 0.986 0 50 CCAA C[C@@H](NC(=O)CN1C(=O)CNC1=O)C1=CCCCC1 95383826 GQIGJVMJFPEWCM-SECBINFHSA-N 265.313 0.543 0 50 CCAA CCc1nccc(CN2CCN(CC(=O)O)CC2)n1 244811580 SHDNRXXZXOYIHX-UHFFFAOYSA-N 264.329 0.241 0 50 CCAA CCc1nc(CCNC(=O)C[C@@H](C)NC(C)=O)no1 244774261 PQVSSXGXVXHYKU-MRVPVSSYSA-N 268.317 0.205 0 50 CCAA CCn1nc(CO)c2c1CCN(C[C@@H]1COCCO1)C2 244874364 XABWXIRXKBDWHM-LLVKDONJSA-N 281.356 0.169 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)COc1ccccc1O 178468974 DBDJYMLPMYSZQG-LLVKDONJSA-N 292.335 0.898 0 50 CCAA C[C@H]1CN(C(=O)Cn2nnc3ccccc32)C[C@@H](C)N1 179158224 WMRDPFVOHXBPPE-PHIMTYICSA-N 273.340 0.640 0 50 CCAA CC(C)CN1CCN(CCn2cc[nH]c2=O)C[C@H]1CCO 252508536 XORIHXOTXYRNSU-CQSZACIVSA-N 296.415 0.201 0 50 CCAA CC(C)C[C@H](NC(=O)CCn1cncn1)c1ncnn1C 534592088 RMALOLOHAKIMCN-NSHDSACASA-N 291.359 0.700 0 50 CCAA O=C(c1cccc(-c2cn[nH]c2)c1)N1C[C@@H]2NCCO[C@H]2C1 534591824 VMPPPUKNZIYATC-GJZGRUSLSA-N 298.346 0.890 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)Cn1cccnc1=O 534584916 RZGSAEXVAXJISF-JTQLQIEISA-N 290.327 0.122 0 50 CCAA Cc1cnccc1CNC(=O)[C@H](C)N1CCN(C)CC1 275213458 LGHCDUHPILZLLX-ZDUSSCGKSA-N 276.384 0.642 0 50 CCAA CO[C@@H]1CCN(S(=O)(=O)N2CCCCCC2)C1 362127971 ZIHCNNNBHCWCMQ-LLVKDONJSA-N 262.375 0.828 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)nn1C(C)C 1940196253 VJGALXCIMNUKHK-FDYHWXHSSA-N 295.339 0.029 0 50 CCAA O=C(c1cccnc1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299782059 VIIICCKVRSLVGF-QWHCGFSZSA-N 285.307 0.659 0 50 CCAA Cc1cc(N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)nc(=N)[nH]1 1857727498 UOEDHJPLEGQCKC-OUAUKWLOSA-N 264.329 0.174 0 50 CCAA CCO[C@H](C)CNC(=O)CN(C)C1CCNCC1 823288991 OFFJYVNUYQFRQK-LLVKDONJSA-N 257.378 0.211 0 50 CCAA C[C@@H](Cn1ccnc1)NCC1(O)CCN(C)CC1 823761183 QWPWKNHSIFFDJZ-LBPRGKRZSA-N 252.362 0.318 0 50 CCAA CC[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)O 299740854 BRDJCESEEORLJF-SNVBAGLBSA-N 279.292 0.980 0 50 CCAA CN(CC(=O)O)C(=O)c1cccc2c1OCC(=O)N2 299747156 CEPSJZZEFLRXAV-UHFFFAOYSA-N 264.237 0.174 0 50 CCAA C[C@@H]1c2nncn2CCN1C(=O)c1cnn2cccnc12 276722732 CPDGNKHDWCXPJU-SECBINFHSA-N 283.295 0.538 0 50 CCAA CCN1C[C@@H](S(=O)(=O)NCC2(CC)CC2)CC1=O 583651025 FJPMQJVHYBPLAB-JTQLQIEISA-N 274.386 0.717 0 50 CCAA CNC(=O)c1cccnc1NS(=O)(=O)C[C@H](C)OC 585129457 KFNQYXJRIXVXCA-QMMMGPOBSA-N 287.341 0.218 0 50 CCAA COc1nn(C)cc1C(=O)NCc1cnoc1C 585363508 YLVWMUDVSOBLNV-UHFFFAOYSA-N 250.258 0.655 0 50 CCAA N[C@H]1CC12CC(NS(=O)(=O)c1cnn(C3CCC3)c1)C2 1615058936 SSBKJEDDEHSUTK-YHECAPGISA-N 296.396 0.766 0 50 CCAA CN(C)C[C@@H]1COCCN(c2ccc(C(=O)O)nn2)C1 1506418739 IUNREPNRJSZILU-JTQLQIEISA-N 280.328 0.189 0 50 CCAA CCc1nccn1CCNC(=O)[C@@H](N)[C@@H](C)CC 223488865 KOOVULPGOXPBAU-JQWIXIFHSA-N 252.362 0.935 0 50 CCAA COc1ccc(OCC(=O)NCCN(C)C)cc1 2921480 ASEZQTJETGXQIX-UHFFFAOYSA-N 252.314 0.752 0 50 CCAA COc1nc(N[C@@H](C)c2n[nH]c(CC(=O)O)n2)ncc1F 1772707870 WKIFUQLKDKHIND-YFKPBYRVSA-N 296.262 0.543 0 50 CCAA COc1ccc(C(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)cc1C 1772705812 OHHSUWVJUZPELI-BETUJISGSA-N 291.347 0.676 0 50 CCAA O=C(O)CCCNC(=O)[C@@H]1COc2ccccc2O1 19387692 CTVKIJRGICUVJM-NSHDSACASA-N 265.265 0.807 0 50 CCAA Cc1ccccc1OC[C@@H](O)CN1CCNCC1 19668688 DKUQBZHTHQFDKN-ZDUSSCGKSA-N 250.342 0.640 0 50 CCAA COCCn1cncc1CNC(=O)CNc1cccnc1 1857690117 AQJYWQCDUJYYKA-UHFFFAOYSA-N 289.339 0.653 0 50 CCAA CN1CCC[C@@H](NC(=O)N[C@H]2CC23CCOCC3)C1=O 527989355 ZJNFFKWHKZQPFX-MNOVXSKESA-N 281.356 0.476 0 50 CCAA Cn1cncc1CNC[C@@H]1C[C@H](F)CN1c1cccnn1 328633490 MBYBKSPOVIDIKF-RYUDHWBXSA-N 290.346 0.917 0 50 CCAA NC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 237854468 VPFWXIRBSOMWFY-NSHDSACASA-N 289.335 0.971 0 50 CCAA Fc1ccc(N2CCN(c3ccc4nncn4n3)CC2)nc1 252478346 AJTNKBQXMZWQQH-UHFFFAOYSA-N 299.313 0.985 0 50 CCAA CN1C[C@H](C(=O)NCc2cnn(C)c2)c2ccccc2C1=O 683759451 YYZPVPHYGJEHJO-AWEZNQCLSA-N 298.346 0.906 0 50 CCAA CN1CCO[C@H](C(=O)N[C@](C)(CO)C2CCCCC2)C1 157823194 ZZVHKXFGRYGACF-DZGCQCFKSA-N 284.400 0.765 0 50 CCAA Cc1cnc(NC(=O)NC[C@@H]2CN(C)CCN2C)s1 264737086 OAHINFDSARMPCA-SNVBAGLBSA-N 283.401 0.819 0 50 CCAA C=CC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 848978896 AMEKWJRWEKEDHM-SECBINFHSA-N 250.302 0.769 0 50 CCAA C=CC(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 1857786889 KVIPONYHKZUQFA-VIFPVBQESA-N 266.297 0.097 0 50 CCAA Cc1cnc(NC(=O)NCC(=O)NCC(F)(F)F)cn1 952882934 WPRBLWZQIFDDMN-UHFFFAOYSA-N 291.233 0.585 0 50 CCAA Cc1cnccc1[C@@H](C)NCC(=O)N1CCOCC1 1875285626 UFIKHGXARRBXRC-GFCCVEGCSA-N 263.341 0.899 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1CNC(=O)/C=C/CN(C)C 1875377128 TXHKIPRZCGANFG-NNOMMRTBSA-N 253.346 0.135 0 50 CCAA O=C([C@H]1C2CCN1CC2)N1CCO[C@]2(CCOC2)C1 1875329500 ZGCMTGHILLVPKR-TZMCWYRMSA-N 266.341 0.099 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N2CC3(CCOC3)C2)C1=O 886078081 KLMUXILBEUQNAR-LBPRGKRZSA-N 296.367 0.263 0 50 CCAA CCn1nc(C(=O)N2CCC[C@](O)(CO)C2)cc1C 72143890 HPGJNTPFJMHXLI-CYBMUJFWSA-N 267.329 0.171 0 50 CCAA Cn1cc(CSc2nnc(CCN)n2C)cn1 426691186 LZMPNYZBQRSYDS-UHFFFAOYSA-N 252.347 0.342 0 50 CCAA COc1ncccc1CN1C[C@H](CO)[C@@H](CO)C1 705368940 IBBMQVXRGLBPQQ-VXGBXAGGSA-N 252.314 0.123 0 50 CCAA CCS(=O)(=O)CCN(C)C(=O)CC1CCNCC1 584895694 OJAJGAURQYWTEP-UHFFFAOYSA-N 276.402 0.269 0 50 CCAA O=C(CCc1nc(O)n[nH]1)N1C[C@@H]2C[C@@H]3COC[C@@H]3[C@@H]2C1 2100542825 HNSXOCUFEURGEQ-ZDCRXTMVSA-N 292.339 0.184 0 50 CCAA O=C(C[C@@H]1NCCNC1=O)Nc1ccccc1F 4539069 LCPRDDUHXFAFGR-JTQLQIEISA-N 251.261 0.242 0 50 CCAA O=C(Cn1nnc(C2CC2)n1)NOC1CCCCC1 2325771366 AVLSBKUGYDRYPE-UHFFFAOYSA-N 265.317 0.931 0 50 CCAA COC1(C(=O)O)CN(C(=O)CCc2ccsc2)C1 2325805395 FJKGSQKUNBCGFY-UHFFFAOYSA-N 269.322 0.993 0 50 CCAA Cc1cccn2c(=O)c(C=O)c(N3CCOCC3)nc12 333572 OSOUUKBRQBNQAC-UHFFFAOYSA-N 273.292 0.652 0 50 CCAA NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 812373 PTUJCUYNJQSGFC-UHFFFAOYSA-N 274.367 0.634 0 50 CCAA O=C(O)C[C@H]1C(=O)NCCN1Cc1cccs1 1236612 CVBURXPBIHMVKR-VIFPVBQESA-N 254.311 0.523 0 50 CCAA CCc1ccccc1N[C@@H]1CS(=O)(=O)C[C@@H]1O 1252263 RLDPGUMJZNEKKX-NEPJUHHUSA-N 255.339 0.819 0 50 CCAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3nc(=O)n(C)[nH]3)C2)n1 2356150333 XHNLMXKZTKUKSG-SNVBAGLBSA-N 290.327 0.009 0 50 CCAA COCCN1CC(=O)N(C2CCC3(CC2)OCCO3)C1=O 225555228 IFHCESUJKUUKPE-UHFFFAOYSA-N 298.339 0.583 0 50 CCAA CCc1c(O)nc(SCC(=O)N(CC)CC)[nH]c1=O 9183628 KJEMJLFTRBZNSP-UHFFFAOYSA-N 285.369 0.998 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccccc1NC 67847557 RWPHFQLQSQKKPG-MFKMUULPSA-N 290.367 0.406 0 50 CCAA CCNS(=O)(=O)N1CCS[C@@H]2COCC[C@H]21 246552487 AZYTWEFFYXVAOR-RKDXNWHRSA-N 266.388 0.047 0 50 CCAA CC(C)COCCN1CCC[C@](O)(Cn2ccnn2)C1 343935292 NQVULVRAJBACCR-CQSZACIVSA-N 282.388 0.778 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1CC(=O)NCc1ccco1 344362628 ILFDEVPMQYEIMR-WCQYABFASA-N 282.340 0.632 0 50 CCAA CO[C@@H]1C[C@@H]2C(=O)N([C@@H]3CCN(C(C)C)C3=O)C(=O)N2C1 253431868 IIYRHJXONFKYIS-GMTAPVOTSA-N 295.339 0.047 0 50 CCAA CN(Cc1cn(-c2ccccc2)nn1)C[C@H](O)CO 216305520 HQRBKJSEGJTKRQ-ZDUSSCGKSA-N 262.313 0.052 0 50 CCAA C[C@H]1CCO[C@@H]1C(=O)NCCn1c(S)nnc1C1CC1 152723927 IXKHKGHCJRCOHF-WPRPVWTQSA-N 296.396 0.985 0 50 CCAA CC(C)Oc1ccc(CCNC(=O)C(N)=O)cc1 258862667 YVZKTCMGOYJXFE-UHFFFAOYSA-N 250.298 0.618 0 50 CCAA Cc1ccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1 74834519 YKSLFBHVSQXETE-LBPRGKRZSA-N 276.340 0.613 0 50 CCAA CCn1nc(C)c(CCNC[C@@]2(O)CCNC2)c1C 72476121 GGZMTXACGQHQDW-AWEZNQCLSA-N 266.389 0.376 0 50 CCAA Cc1noc(COCC(=O)N2CCCC[C@H]2CN)n1 237636518 FHJCTQVOVANXKZ-JTQLQIEISA-N 268.317 0.234 0 50 CCAA COCCN(C(=O)c1nccnc1N)[C@H]1CCO[C@@H]1C 331214509 UTPSRTHSTVUHTK-ZJUUUORDSA-N 280.328 0.325 0 50 CCAA O=C(c1cccn2c(O)nnc12)N1CCO[C@@H](C2CC2)C1 370712266 TWKHKOWESUTNIW-LLVKDONJSA-N 288.307 0.686 0 50 CCAA O[C@]1(CNCCc2ccc3c(c2)OCO3)CCCNC1 72463592 DTHLIBSXDXXFGP-OAHLLOKOSA-N 278.352 0.662 0 50 CCAA O=C(NCCc1ccc(F)cc1)[C@H]1CNCCO1 43707482 DKXMPFCPCKSSKR-GFCCVEGCSA-N 252.289 0.473 0 50 CCAA CSCC[C@H](NC(=O)Cn1nc(C)cc1N)C(=O)O 426624737 GOHYPSSEEWPIOK-QMMMGPOBSA-N 286.357 0.096 0 50 CCAA Cc1ccc2nc(CNC(=O)N3CC(O)C3)[nH]c2c1 426544588 ZMMTWDKLEPGBSN-UHFFFAOYSA-N 260.297 0.757 0 50 CCAA Cc1nc(C(F)(F)F)ncc1CN1CCO[C@H](CN)C1 426551781 IRCCFQAUUWFXKV-SNVBAGLBSA-N 290.289 0.963 0 50 CCAA CNCc1nnc(SCCC(=O)NC(C)C)n1C 426492776 ITXICVBSXMTMJF-UHFFFAOYSA-N 271.390 0.541 0 50 CCAA O=C(NC1(C(=O)O)CC1)c1cc(C(F)(F)F)n[nH]1 426730273 CACQPGBGHJYBPM-UHFFFAOYSA-N 263.175 0.776 0 50 CCAA C[C@H](NC(=O)C(C)(C)N1CCCC1)c1nc(=N)[nH][nH]1 426525910 KIUIWJHKVWNZGH-QMMMGPOBSA-N 266.349 0.269 0 50 CCAA CN(C)C(=O)CO[C@H]1CCOC[C@H]1Nc1ncc(F)cn1 220515783 WYOIUVUVNLEOBQ-MNOVXSKESA-N 298.318 0.290 0 50 CCAA CCN1C[C@@H](C(=O)NCCCc2ccncc2)CC1=O 91468600 WGQOVELJZKRNRY-ZDUSSCGKSA-N 275.352 0.999 0 50 CCAA Cc1ncc(C(=O)N(CCO)Cc2nccn2C)c(C)n1 97088419 UPXITTCRTSLIFI-UHFFFAOYSA-N 289.339 0.462 0 50 CCAA O=C(O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 149839749 MRFONOUDCDVXKN-ZCFIWIBFSA-N 261.324 0.672 0 50 CCAA Cc1cc(N2CCC[C@@H](N3CCCC3=O)C2)nc(N)n1 92077153 JISOWJJRKYTOFI-LLVKDONJSA-N 275.356 0.958 0 50 CCAA Cc1cc(C)n(CC(=O)NC[C@@H](CO)C(C)C)c(=O)n1 330681254 ORHZTAGEVDRKKD-LBPRGKRZSA-N 281.356 0.241 0 50 CCAA Cc1nncn1CCNC(=O)[C@H]1Cc2ccccc2CN1 237555644 MXHXAYPITFJELT-CQSZACIVSA-N 285.351 0.417 0 50 CCAA Cc1nnc(NCC[C@@H]2CCC(=O)N2CCN(C)C)o1 95361146 IGCAKOCRFVXGLL-NSHDSACASA-N 281.360 0.733 0 50 CCAA CS(=O)(=O)CCC(=O)NCCCc1ccccn1 435709012 CCBXVOSYETWVBA-UHFFFAOYSA-N 270.354 0.565 0 50 CCAA c1cnn([C@@H]2CCN(c3nccn4cnnc34)C2)c1 292442028 VXZSWXWIZSXJOI-SNVBAGLBSA-N 255.285 0.772 0 50 CCAA CCc1nccn1CC(=O)N1CCCC[C@@H]1C(=O)NC 252481576 COIQNKZVOQRHTK-LLVKDONJSA-N 278.356 0.573 0 50 CCAA CC(=O)N1CCO[C@H](CNc2ncc(F)cn2)C1 534639280 BHOGZYBLIQFTEU-SNVBAGLBSA-N 254.265 0.275 0 50 CCAA O=C(NC1CC1)[C@@H](O)C1CCN(CCOCC2CC2)CC1 299745079 WAHBBZCEZJPZBA-HNNXBMFYSA-N 296.411 0.765 0 50 CCAA CC[C@](C)(CC(=O)O)NC(=O)[C@H]1CSCN1C(C)=O 299748789 IEFPKEHJXRCGBB-BXKDBHETSA-N 288.369 0.667 0 50 CCAA Cc1nc(C)c(C(=O)N(C)CCN2CCOCC2)[nH]1 621837160 AXIUGHYEPHVQLK-UHFFFAOYSA-N 266.345 0.431 0 50 CCAA Cc1nnc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)s1 299793197 JYUQRTFVOKCFKQ-WDEREUQCSA-N 292.368 0.784 0 50 CCAA COCCN1CCC[C@@H](CNC(=O)c2cncc(O)c2)C1 824413121 CYJJNJVELBQIDN-LBPRGKRZSA-N 293.367 0.875 0 50 CCAA CS(=O)(=O)NCCCCCN1CCOCC1 824864472 PVOIMEBQGFXIRD-UHFFFAOYSA-N 250.364 0.038 0 50 CCAA O=C(N[C@H]1CNCC[C@@H]1CO)OCc1ccccc1 584904628 PPUYMKVLQPLGDY-OLZOCXBDSA-N 264.325 0.883 0 50 CCAA CC(=O)NCCC(=O)NC1(C(N)=O)CCCCCC1 670470827 FSBFQMVUJIEGMC-UHFFFAOYSA-N 269.345 0.207 0 50 CCAA CN(C)[C@H]1CCN(C(=O)CCCN2CCCC2)C[C@@H]1O 584895247 DTANPPHLVQOTHT-KBPBESRZSA-N 283.416 0.386 0 50 CCAA O=C(CCc1cn[nH]c1)NCc1nc(C(F)(F)F)n[nH]1 584888145 MSRPHECLXZVUGV-UHFFFAOYSA-N 288.233 0.796 0 50 CCAA Cn1nnnc1SCCNC(=O)CCCn1cccn1 670454635 OSPDSWQUWUZWST-UHFFFAOYSA-N 295.372 0.095 0 50 CCAA N[C@@H]1CN(C(=O)NCC2(N)CCOCC2)CC12CCC2 1553517908 UGLCTVNXBKCPRI-LLVKDONJSA-N 282.388 0.017 0 50 CCAA O=C([C@H](O)c1ccccc1)N1CCn2cncc2C1 72165411 IZSQXNDHIUFDKF-CYBMUJFWSA-N 257.293 0.959 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1sccc1N 1565509018 SWZLZQURSCLSHD-VFRUTBLMSA-N 281.381 0.778 0 50 CCAA COc1ncc(C(=O)N[C@H]2COCC[C@@H]2OC)cn1 1565505738 NEKPRZXRSUDWHW-UWVGGRQHSA-N 267.285 0.019 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 269192966 OWTVKOGXEHVKCO-SECBINFHSA-N 289.291 0.263 0 50 CCAA CCN1CC[C@@H](N2C(=O)N3CCC[C@@]3(C)C2=O)C1=O 408517091 LHQWAWXBUZJWDC-RNCFNFMXSA-N 265.313 0.424 0 50 CCAA C[C@@H]1OCC[C@H]1N[C@H]1CCCN(c2nccn(C)c2=O)C1 275632259 SIHWDBJOXSJJTA-RWMBFGLXSA-N 292.383 0.516 0 50 CCAA COC[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H](C)O1 276039084 QSFKRFIOWKETGC-QWRGUYRKSA-N 280.324 0.261 0 50 CCAA Cc1nn(CCN(C)C)c(=O)c2[nH]c(=N)sc12 634589081 NGYWKCMVYZAPLU-UHFFFAOYSA-N 253.331 0.136 0 50 CCAA CN1CC[C@@H](NC(=O)c2cccc3c2OCO3)CC1=O 190101998 FNOHTXWAIXPHDG-SECBINFHSA-N 276.292 0.766 0 50 CCAA CCn1cc(OCc2nc(N)nc(N(C)C)n2)cn1 193556217 LOOBKHISDGYNHL-UHFFFAOYSA-N 263.305 0.315 0 50 CCAA CN(C)CCn1ccc(NC(=O)CN2CCCC2=O)n1 194681422 SMNSLXIYTOVWBC-UHFFFAOYSA-N 279.344 0.006 0 50 CCAA COC[C@@H]1CCCN1C(=O)c1cccc(S(N)(=O)=O)c1 97532800 CQGUMIURSUNYJZ-NSHDSACASA-N 298.364 0.585 0 50 CCAA CC(C)N(C)S(=O)(=O)NC(=O)[C@@H](C)Cn1ccnc1 1615058826 WYYJVYPEPOBIQW-JTQLQIEISA-N 288.373 0.220 0 50 CCAA O[C@H]1CN(c2cc(N3CCCCC3)ncn2)C[C@@H]1F 1615940981 LNVQFFCJFXGSNG-QWRGUYRKSA-N 266.320 0.986 0 50 CCAA OCC[C@@H]1CN(Cc2nc(-c3ccccc3)no2)CCN1 1616039220 YOMJDJASRKHJJY-CYBMUJFWSA-N 288.351 0.893 0 50 CCAA O=C(O)[C@H]1COCCN(Cc2nc(C(F)(F)F)no2)C1 1775982422 LIHICAMGDOPJFS-ZCFIWIBFSA-N 295.217 0.621 0 50 CCAA CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H]2C)cc1 1191583751 ABUFQPDKWBMKLC-SECBINFHSA-N 268.338 0.829 0 50 CCAA NC(=O)[C@H]1CCCCN1C(=O)COC1CCCC1 407993680 QZUSRWJTUXBRIT-LLVKDONJSA-N 254.330 0.812 0 50 CCAA CS(=O)(=O)Nc1cc(Br)cnc1N 114719163 NAMRZWSNLHWGHO-UHFFFAOYSA-N 266.120 0.798 0 50 CCAA C[C@H]1CCCCN1C1CN(c2nc(C(=O)O)nn2C)C1 1857672535 GKCVRVQWEVOMSE-VIFPVBQESA-N 279.344 0.576 0 50 CCAA CNS(=O)(=O)CCn1ccnc1-c1ccnc(OC)c1 1857682186 FXFVPUGGBLJBNU-UHFFFAOYSA-N 296.352 0.503 0 50 CCAA COC(=O)c1ncnc(N2CC(C)(OC)C2)c1OC 585092696 JGPHNVJVKYGPJP-UHFFFAOYSA-N 267.285 0.497 0 50 CCAA CN(CCn1cnc2ccccc21)C(=O)[C@H]1CCC(=O)N1 1857682777 RXNYTPLBZKSJCQ-GFCCVEGCSA-N 286.335 0.773 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1cc(C2CC2)[nH]n1 263303391 NWAUPNIZWMFASL-VIFPVBQESA-N 279.296 0.603 0 50 CCAA CCOC(=O)[C@H]1[C@H]2CN(C(=O)c3cn[nH]c3)CC[C@H]21 928121970 ZRSBDHHREVOETM-OUAUKWLOSA-N 263.297 0.681 0 50 CCAA Cc1cccc(-c2cn(C[C@H]3CNC(=O)O3)nn2)n1 864638168 KOFMTORXRQHNAH-SECBINFHSA-N 259.269 0.757 0 50 CCAA O=C(NN1CCCNC1=O)c1cc(O)nc(C2CC2)n1 1875266912 IIQATYMPJAFBAB-UHFFFAOYSA-N 277.284 0.120 0 50 CCAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CS1 1875300819 RNFFXQOXWGNJEI-IQQLRLJASA-N 283.349 0.485 0 50 CCAA O=C(O)C[C@@H](NC(=O)[C@@H]1CCOC1)c1nccs1 1875300426 CDNKILRQWORRRK-HTQZYQBOSA-N 270.310 0.812 0 50 CCAA Cc1ccccc1CC(C)(C)NC(=O)[C@@H](N)CO 888095968 LLUCSOUXKKKHSH-LBPRGKRZSA-N 250.342 0.752 0 50 CCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)CCc2cccnc2)C1 299795136 LVENZRBUUPVKNO-GFCCVEGCSA-N 297.380 0.151 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc2c[nH]nc12 334594634 DNDIHNVBVWXELT-KCJUWKMLSA-N 272.308 0.960 0 50 CCAA CCC(=O)NC1CN(C(=O)[C@H]2CC(CC)=NO2)C1 2325784800 KIMFHHWSSSZGBA-SNVBAGLBSA-N 253.302 0.278 0 50 CCAA C[C@@](CO)(NC(=O)c1nc[nH]c2nccc1-2)C(F)F 2325803520 LUKGPRWGMWIXIY-NSHDSACASA-N 270.239 0.655 0 50 CCAA O=C(O)[C@H]1C[C@H]2C=C[C@H]1N(C(=O)CCc1cncnc1)C2 2325807560 CPOZQPHRZVKDQM-KGYLQXTDSA-N 287.319 0.897 0 50 CCAA Cc1nn(CC(=O)N2CCC[C@H]2c2cccn2C)c(=O)o1 878079851 NPGMNGQGCPOKIV-LBPRGKRZSA-N 290.323 0.847 0 50 CCAA COc1cc(F)ccc1S(=O)(=O)N1CCOCC1 297333 ZZDYJNICLXZGIM-UHFFFAOYSA-N 275.301 0.855 0 50 CCAA S=C(NC[C@H]1CCCO1)N1CCC2(CC1)OCCO2 609498 UUAAFMUSNUYFAX-LLVKDONJSA-N 286.397 0.879 0 50 CCAA Cn1nncc1C(=O)NCCc1ccc2c(c1)OCO2 225603128 YWRXEXLSQJTGJW-UHFFFAOYSA-N 274.280 0.516 0 50 CCAA COC[C@@H](NC(=O)CCN1CCCCO1)c1ccnn1C 55132453 NKDRJKIMWWIFQB-GFCCVEGCSA-N 296.371 0.641 0 50 CCAA C[C@@H](NC(=O)Cn1ncc2ccccc21)c1nc(=O)[nH][nH]1 215124449 FXTGNDZHBAUQKC-MRVPVSSYSA-N 286.295 0.325 0 50 CCAA COCC(=O)N1CCN(Cc2ccc(OC)cc2)C(=O)C1 77374967 MQMVNTNVALLXCY-UHFFFAOYSA-N 292.335 0.512 0 50 CCAA Cc1noc(C)c1CC(=O)N1CCOC[C@H](CO)C1 77452223 JTZWURDONREARS-NSHDSACASA-N 268.313 0.301 0 50 CCAA O=C1CCCCCN1CC(=O)N1CCn2cncc2C1 72135298 IJNSPEZJLZCXOM-UHFFFAOYSA-N 276.340 0.628 0 50 CCAA Cc1c([C@H]2OCC[C@@H]2NC(=O)c2ccon2)cnn1C 328612746 PQXMQZRCPSRSSV-CMPLNLGQSA-N 276.296 0.977 0 50 CCAA O=C(Cc1ccc(O)c(Cl)c1)N[C@@H]1CCNC[C@H]1O 77375258 VBJVDGBIFCPQLS-ZYHUDNBSSA-N 284.743 0.427 0 50 CCAA O=C(C[C@@H]1COCCN1)N1CCNC[C@@H]1c1ccccc1 333616842 RENIAIGZPDUPOD-HUUCEWRRSA-N 289.379 0.538 0 50 CCAA O=C(NC1CCN(C2CCCC2)CC1)c1cnc[nH]c1=O 219568231 RTUKEJLUAFDBOK-UHFFFAOYSA-N 290.367 0.907 0 50 CCAA Cc1cccc(NC(=O)NC[C@]2(O)CCOC2)n1 124539712 UHJRCJCVJDKSEJ-GFCCVEGCSA-N 251.286 0.663 0 50 CCAA O=C(CO)N1CCC(Oc2ccccc2F)(C(=O)O)CC1 72418717 ZCZUQSNTKIUQNT-UHFFFAOYSA-N 297.282 0.643 0 50 CCAA CC[C@@]1(CCCCC(=O)O)C(=O)N=C(N)N=C1O 71785220 RAGKYFUWLRWEBF-UHFFFAOYSA-N 255.274 0.839 0 50 CCAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H]2CN)C1 131696762 HJMNGJBSZOETBC-IJLUTSLNSA-N 275.418 0.632 0 50 CCAA CC(C)(C)OC(=O)NOCCOCCOCCN 197544676 LHNRKSSHYXYKTA-UHFFFAOYSA-N 264.322 0.435 0 50 CCAA Cn1nccc1[C@@H]1CCCCN1C(=O)c1c[nH]nn1 281958522 IMWDOPMRYYLXCJ-NSHDSACASA-N 260.301 0.906 0 50 CCAA NS(=O)(=O)[C@@H]1CCN(c2nc3ccccc3o2)C1 602613686 MYVGEVLISAGOLZ-MRVPVSSYSA-N 267.310 0.695 0 50 CCAA CN1C[C@@H](NC(=O)c2ccc(O)c(F)c2)CCC1=O 221354305 CQZVLLRTZWVYQS-VIFPVBQESA-N 266.272 0.882 0 50 CCAA CCn1cc(O[C@@H]2CN(CCOC3CCC3)C[C@H]2O)cn1 625615841 VMOWSLLSGHYENC-HUUCEWRRSA-N 295.383 0.896 0 50 CCAA CC[C@H](NC(=O)c1cnc(N)nc1C)[C@H]1C[C@@H](O)C1 220009281 BPTIUOOCTVLDFX-QXEWZRGKSA-N 264.329 0.647 0 50 CCAA Cc1cc(CNC(=O)N(C)C[C@H]2COCCO2)on1 426549217 VDKPNKGQBPNVSO-NSHDSACASA-N 269.301 0.540 0 50 CCAA Cc1nnc(NC(=O)[C@H](NC(N)=O)C(C)(C)C)n1C1CC1 285700727 BVYXMUYHIIMZJP-VIFPVBQESA-N 294.359 0.943 0 50 CCAA Cc1ncc(S(C)(=O)=O)c(NC2(C(N)=O)CCCC2)n1 95380534 PGCWZDFOVUCPAK-UHFFFAOYSA-N 298.368 0.399 0 50 CCAA Nc1nc(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)cs1 91663399 MXMJDUJRJUJTSD-QMMMGPOBSA-N 294.380 0.395 0 50 CCAA O=C(O)c1[nH]ncc1CN1C[C@H](O)[C@@H](N2CCCCC2)C1 97743615 PXUFNGGAZZZCDT-RYUDHWBXSA-N 294.355 0.139 0 50 CCAA CN(C)CC(=O)NC[C@@H]1c2ccccc2C(=O)N1C 530000078 LBLWTPXEJBDYHL-GFCCVEGCSA-N 261.325 0.491 0 50 CCAA CN(CCC(=O)O)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 178286988 NXEJVVJANCIBQB-RNFRBKRXSA-N 296.245 0.377 0 50 CCAA Cc1nc(CN(C)CC(=O)Nc2ccn(C)n2)no1 244852842 UZVGVWCGCMKMQM-UHFFFAOYSA-N 264.289 0.182 0 50 CCAA CCOCC(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1 252551035 TVOHDKMCTRHVEH-AOOOYVTPSA-N 294.355 0.504 0 50 CCAA NC(=O)c1ccc(NCCCN2CCC[C@@H](O)C2)nc1 828627386 JZYNOCMXFIPWBN-GFCCVEGCSA-N 278.356 0.439 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)C2CCNCC2)C1 823690107 MGKDGZLTKJOTPQ-GFCCVEGCSA-N 269.389 0.023 0 50 CCAA CC(C)N1CC[C@H](CN(C)CCS(C)(=O)=O)C1 823690256 UAFDQPHJADIWRU-GFCCVEGCSA-N 262.419 0.693 0 50 CCAA NC(=O)CN1CCC[C@H](c2ncnn2CC(F)(F)F)C1 826838803 SJPKUCDFPWVRCF-QMMMGPOBSA-N 291.277 0.505 0 50 CCAA Nc1cc(O)nc(CCNC(=O)Cc2cccs2)n1 584889210 FZCHSCJCAVMHDI-UHFFFAOYSA-N 278.337 0.727 0 50 CCAA CCOc1ccnc(NC[C@H]2CN(C)C(=O)CO2)n1 823399284 GWOFLEWLMZIAQL-VIFPVBQESA-N 266.301 0.144 0 50 CCAA O=C1CC(C(=O)NCCCN2CCCC[C@@H]2CO)C1 828710961 RUKCXXCSXSKTML-GFCCVEGCSA-N 268.357 0.319 0 50 CCAA O=C(N[C@H]1CNCC[C@H]1CO)OCc1ccccc1 584904630 PPUYMKVLQPLGDY-STQMWFEESA-N 264.325 0.883 0 50 CCAA COCCn1cncc1CNC(=O)c1ccnc(OC)c1 584896534 LJVAYLJSBLKRJS-UHFFFAOYSA-N 290.323 0.863 0 50 CCAA CC(C)n1cnnc1[C@@H](C)NS(=O)(=O)c1cnn(C)c1 670458326 DPDJTBSETDXQGE-SECBINFHSA-N 298.372 0.632 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1c1cnn[nH]1 1076068293 NINALTSNUWBOTP-BDAKNGLRSA-N 290.279 0.728 0 50 CCAA NC(=O)N1CCC[C@H](C(=O)N2CC(N3CCCCC3)C2)C1 952968204 KGLRXMPIOGWSRR-LBPRGKRZSA-N 294.399 0.474 0 50 CCAA C[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)c1nncn1C 407971078 GJNFOWUQKXWZIL-NXEZZACHSA-N 288.373 0.365 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c1 408032282 UQKYNDCIPSPGOB-UWVGGRQHSA-N 291.348 0.557 0 50 CCAA NC(=O)NCCC(=O)N1CCC[C@@H]1C1CCOCC1 408130225 UGVJCTREJVOENS-LLVKDONJSA-N 269.345 0.462 0 50 CCAA O=C(O)[C@H]1CCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 408518791 ULPVJRSSXBDZEY-JHJVBQTASA-N 296.367 0.705 0 50 CCAA COCCO[C@@H]1CCN(C(=O)c2ccc(C(=O)O)cn2)C1 630302716 ZYHKZMNVLSOTGW-LLVKDONJSA-N 294.307 0.657 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(CCn2ccnc2)C1 643812649 QDOXSDBGQUJSFN-AWEZNQCLSA-N 280.372 0.188 0 50 CCAA COc1cccc2ncnc(N3CC(S(C)(=O)=O)C3)c12 558690263 NUOUBPSNCBWQJW-UHFFFAOYSA-N 293.348 0.872 0 50 CCAA Nc1cccc(C(=O)N2CCN(CC(F)(F)F)CC2)n1 61949098 AJRYASUPKMMZTH-UHFFFAOYSA-N 288.273 0.984 0 50 CCAA Cn1nccc1[C@@H](NC(=O)[C@H]1CC12CCOCC2)C(=O)O 647771848 WOXZZLCQOASXMG-MWLCHTKSSA-N 293.323 0.479 0 50 CCAA Cc1noc(C)c1C(=O)N[C@H](C(=O)O)C1CCOCC1 668312324 SSWOOXPVBVYPPO-NSHDSACASA-N 282.296 0.901 0 50 CCAA C=CC(=O)NCCNC(=O)c1ccc(Br)cn1 732097800 LYAAOXLONIDOEA-UHFFFAOYSA-N 298.140 0.876 0 50 CCAA O=C(C=C1CCC1)N1CCC[C@](O)(Cn2ccnn2)C1 794586313 SPYPFMOYYWVEKI-CQSZACIVSA-N 276.340 0.742 0 50 CCAA CCc1cc(NC(=O)N2CC[C@@H](CO)C2)n(C)n1 408217659 ZVJZULBAOJNGTP-SECBINFHSA-N 252.318 0.829 0 50 CCAA CN(Cc1ccc[nH]1)C(=O)C1(S(C)(=O)=O)CCC1 331892092 ALLGUPKTNGQTGR-UHFFFAOYSA-N 270.354 0.940 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1S(=O)(=O)N(C)CC(C)C 647293562 PAONFCOZSOZQPL-QWRGUYRKSA-N 281.397 0.451 0 50 CCAA O=C(O)[C@@H]1COCCN(Cc2nc(C(F)(F)F)no2)C1 1775982416 LIHICAMGDOPJFS-LURJTMIESA-N 295.217 0.621 0 50 CCAA Cc1cc(=O)oc2ccn(CCc3ncn(C)n3)c(=O)c12 1772491307 AJMCNNDXZQCZRU-UHFFFAOYSA-N 286.291 0.634 0 50 CCAA O=C1CO[C@@]2(CCN(C(=O)c3ccncc3Cl)C2)CN1 1772818475 GGMTXWJRVMTPAD-ZDUSSCGKSA-N 295.726 0.466 0 50 CCAA COCCC(=O)NCc1cccnc1N1CCC[C@H](O)C1 12000684 SXJHIHMOMPTLBK-ZDUSSCGKSA-N 293.367 0.695 0 50 CCAA CCS(=O)(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 14963994 XNWDWFZRWFWCKU-CYBMUJFWSA-N 296.392 0.769 0 50 CCAA CC(C)S(=O)(=O)CC(=O)NC[C@@H]1NCCC[C@@H]1C 390834638 KCZHBYYUWPQTJD-QWRGUYRKSA-N 276.402 0.314 0 50 CCAA CN1C(=O)NCC12CN(c1nc(-c3ccccc3)no1)C2 1857679628 OIIDZVUGZDALIB-UHFFFAOYSA-N 285.307 0.950 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2csc(=N)[nH]2)C[C@H]1O 1875242087 MYVXYZOUUKSWQV-ZWNOBZJWSA-N 299.396 0.541 0 50 CCAA Cc1cc(C(=O)N2CC[C@H](N)C2)ccc1-n1cncn1 132695262 KDSRKAYVXRJYCN-LBPRGKRZSA-N 271.324 0.749 0 50 CCAA CC1(C)C[C@H](S(=O)(=O)NCCc2cnoc2)CO1 907386967 AUUWMHTVCOXVDW-JTQLQIEISA-N 274.342 0.704 0 50 CCAA Cc1ccc(S(=O)(=O)NC[C@@]23CNC[C@@H]2C3)cc1 1875273922 IGOCRUWIFISUFQ-WCQYABFASA-N 266.366 0.883 0 50 CCAA FC1(F)C[C@@H]2CN(c3nnnn3[C@H]3CCOC3)C[C@@H]21 1875290342 UTFLPVGVAYFKRC-VGMNWLOBSA-N 271.271 0.726 0 50 CCAA CCC1(c2cn(CC(=O)N3CCCC3)nn2)COC1 1875345030 SXXQRGHNYFDHRS-UHFFFAOYSA-N 264.329 0.579 0 50 CCAA COc1cnccc1CNc1cc(=O)n(C)c(O)n1 1775999027 MTZUJYGEDSCVAP-UHFFFAOYSA-N 262.269 0.502 0 50 CCAA O=C(N[C@@H]1CCCS(=O)(=O)C1)c1ccnc(C(=O)O)c1 168935036 OEARDMAQUBDYCI-SECBINFHSA-N 298.320 0.087 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)c3cncc(O)c3)[C@@H]2C1 285678576 HNKVTMOHZBEEQE-OLZOCXBDSA-N 277.324 0.332 0 50 CCAA CCOC(=O)C[C@@]1(C)SC(NC(C)=O)=NN1C(C)=O 367849 BGQRRQSEQJFTJN-LLVKDONJSA-N 287.341 0.658 0 50 CCAA COC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 40442741 NZVUWEZJFULOOK-UHFFFAOYSA-N 258.318 0.712 0 50 CCAA in-vitro COC(=O)[C@H]1CC12CCN(C(=O)c1cc(O)no1)CC2 2356142613 ZNMDTKFRLRKCEQ-MRVPVSSYSA-N 280.280 0.796 0 50 CCAA O=C1NC[C@H]2CN(C(=O)CCc3ccsc3)C[C@@H]12 2356167843 FNNGLKZEKXPBGO-WDEREUQCSA-N 264.350 0.885 0 50 CCAA CCOc1ccccc1NC(=O)C(=O)NCCCO 2906287 NYTIZIGTNYISQW-UHFFFAOYSA-N 266.297 0.522 0 50 CCAA C[C@@H]1C[C@@H](C)C(=O)C(C(=O)CC2CC(=O)NC(=O)C2)C1=O 100538063 HVVJIIFHRADPPT-HTQZYQBOSA-N 293.319 0.429 0 50 CCAA O=C1C[C@@H](c2ccccc2)CN1C(=O)CN1CCOCC1 22590199 MUCRQCVBTMVFOY-CQSZACIVSA-N 288.347 0.861 0 50 CCAA C[C@@H]1CNCCN1C(=O)[C@@H]1Cc2cccc(F)c2O1 125290969 ANYDEZQHWONQBL-SKDRFNHKSA-N 264.300 0.950 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@@H](C)O1 20427585 FEMCBTWGBDGCAL-GHMZBOCLSA-N 287.323 0.912 0 50 CCAA N=C(O)N1CC[C@H](NC(=O)Cc2cccs2)C1 330782570 ZAXJAXWBSODNIP-QMMMGPOBSA-N 253.327 0.974 0 50 CCAA CN(C)C(=O)c1cccc(CN(C)S(C)(=O)=O)c1 330729692 HUKDYQAGKNATRW-UHFFFAOYSA-N 270.354 0.780 0 50 CCAA CC(C)C[C@@H](CN)C(=O)N[C@@H](C)CCn1cncn1 170677849 HTEUNANKGWSPFT-RYUDHWBXSA-N 267.377 0.794 0 50 CCAA COC[C@@H](NC(=O)c1cnccn1)c1ccnn1C 67934722 PZJSDXNXHCYFHY-SNVBAGLBSA-N 261.285 0.328 0 50 CCAA CCCO[C@@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 67112537 ZAKRYELXKLBCBW-LLVKDONJSA-N 277.386 0.839 0 50 CCAA CC(=O)N1CCC(C(=O)NCCc2ccnn2C)CC1 185885402 URXFSLUOYWHVTN-UHFFFAOYSA-N 278.356 0.337 0 50 CCAA CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](C)O 170624192 AHMOTWXUURDDEM-MRVPVSSYSA-N 295.343 0.016 0 50 CCAA O=C([C@H]1C[C@@]12CCOC2)N1CCC[C@H]1Cn1ccnn1 329015172 JSRBHYXRDLQSFA-OUCADQQQSA-N 276.340 0.696 0 50 CCAA N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1cccc(-n2cccn2)c1 219508374 SFKHHDCTZRCRRX-LXTVHRRPSA-N 298.346 0.717 0 50 CCAA COc1ccc(Cn2nnc3c(cnn3C)c2=O)cc1F 154448319 FUNJNTQGSHLXBF-UHFFFAOYSA-N 289.270 0.721 0 50 CCAA C[C@@H](NC(=O)C1(C(=O)O)CC1)C(=O)Nc1ccccc1 154885933 CBNCQJSKJQEFTL-SECBINFHSA-N 276.292 0.995 0 50 CCAA CCC(=O)N1CC[C@H](NC(=O)c2ccc(CN)cc2)C1 236778421 HSPNHYZKRWSVJU-ZDUSSCGKSA-N 275.352 0.886 0 50 CCAA Cc1noc(C)c1C(C)(C)C(=O)NCCc1nc(=O)o[nH]1 333308706 UWTDZXIRIGBJPM-UHFFFAOYSA-N 294.311 0.604 0 50 CCAA CN1C(=O)C[C@H](N2CCC(c3ccncn3)CC2)C1=O 333937008 LBWSXEPKYKWCOX-LBPRGKRZSA-N 274.324 0.413 0 50 CCAA Cc1noc(COCC(=O)N2CCCC[C@@H]2C(=O)O)n1 262571680 NBXJSQKPGIVFDX-SECBINFHSA-N 283.284 0.360 0 50 CCAA CC(C)c1cc(C(=O)NC[C@]2(O)CCCNCC2)n(C)n1 72163957 KKFFHIHIMSWWLW-HNNXBMFYSA-N 294.399 0.778 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)N1CCNC(=O)CC1 335788886 BFBBBNPZJKKFBV-GHMZBOCLSA-N 254.330 0.540 0 50 CCAA CN1CCN2CCN(C(=O)Cc3ccccc3O)C[C@@H]2C1 223198766 PJKXDLSEAXIHGV-AWEZNQCLSA-N 289.379 0.393 0 50 CCAA Cc1ccn2c(C(=O)N[C@H]3CCNC3=O)c(C)nc2c1 426683976 VSRKCYBZEUQQSJ-JTQLQIEISA-N 272.308 0.569 0 50 CCAA CCC(=O)N1CC[C@@H](NC(=O)c2ccc(CN)cc2)C1 236777587 HSPNHYZKRWSVJU-CYBMUJFWSA-N 275.352 0.886 0 50 CCAA Cc1cc(C)n(C2=NN=C(n3nc(C)cc3C)NN2)n1 95931997 INBAVOCGMVJPTG-UHFFFAOYSA-N 272.316 0.444 0 50 CCAA c1csc(-c2cn(CCN3CCOCC3)nn2)n1 95388330 IRHJETXPMPWQLA-UHFFFAOYSA-N 265.342 0.734 0 50 CCAA O=C(NCCCn1ccnn1)[C@H]1CC[C@@H](O)CC1 244882653 XVWYZULUQHETGQ-PHIMTYICSA-N 252.318 0.336 0 50 CCAA CCOC(=O)[C@@H]1CCCN(C[C@@H](O)Cn2cccn2)C1 178568904 WGBARWOESWCSHJ-CHWSQXEVSA-N 281.356 0.519 0 50 CCAA CCOC(=O)CC[C@@]1(C(=O)OCC)CNC(=O)C1 601014830 XYNXXUYEXYEGEP-LBPRGKRZSA-N 257.286 0.399 0 50 CCAA CC1(C)NC(=O)CC[C@H]1NC(=O)c1cn(CC2CC2)nn1 622588087 YDUKXWLBTMIWRK-LLVKDONJSA-N 291.355 0.475 0 50 CCAA CCN(CCN(C)C)C(=O)N[C@@H](C)c1ncnn1CC 534576112 RUIDTDFQSBJUAX-NSHDSACASA-N 282.392 0.952 0 50 CCAA O=C1CCCCCN1CCC(=O)N1C[C@@H]2CCN[C@@H]2C1 534635578 AWXIZOMOJYSLIC-QWHCGFSZSA-N 279.384 0.599 0 50 CCAA CN(CC(=O)O)C(=O)CCc1ccc2c(c1)OCCO2 299746802 ZXJLVEBYAJQACC-UHFFFAOYSA-N 279.292 0.933 0 50 CCAA CNC[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 299739809 RNGCSZNATFOLTQ-OLZOCXBDSA-N 253.390 0.929 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)c1ccc(=O)n(C)n1 299762789 AXEHRJVMDUMCLU-VIFPVBQESA-N 290.327 0.273 0 50 CCAA Cc1cc(C)nc(S[C@@H](C)C(=O)N2CC(O)C2)n1 299785600 KUQLWNNCQMBPEY-VIFPVBQESA-N 267.354 0.777 0 50 CCAA O=C1C[C@H](C(=O)NCCN2CCCC2=O)C2(CCCC2)O1 828244562 PGCYJVYNRHESQV-LLVKDONJSA-N 294.351 0.601 0 50 CCAA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)CCCc1cn[nH]c1)C2 584894588 KGBFCCHSYXAPLF-OLZOCXBDSA-N 290.367 0.860 0 50 CCAA CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(CN)cc1 236798036 WZFLFTHHPWTRIN-ZDUSSCGKSA-N 275.352 0.742 0 50 CCAA CN(C)c1ccc(CN2CC[C@H](N)[C@@H](O)C2)cn1 1565531065 AMYABPDBTNQNHW-RYUDHWBXSA-N 250.346 0.042 0 50 CCAA CNC(=O)[C@@]1(C)CCN(C(=O)c2cnnc(C)c2)C1 408402937 JTFBTKIFAUKWLF-ZDUSSCGKSA-N 262.313 0.383 0 50 CCAA C[C@@H]1CN(c2ncnc3c2nnn3C)C[C@@H](C2CC2)O1 408523318 IQSSXBYTYFSFGF-SCZZXKLOSA-N 274.328 0.762 0 50 CCAA C[C@@H](CC[S@@](C)=O)Nc1cc(-n2cccn2)nc(N)n1 271453183 QBRRGZPJFINWLH-GWNMQOMSSA-N 294.384 0.814 0 50 CCAA C[C@H](O)[C@@H]1CN(C(=O)Cc2cnn3c2CCCC3)CCO1 633447744 ZNQRKKZBAWMNSK-FZMZJTMJSA-N 293.367 0.370 0 50 CCAA COC[C@@H]1CN(c2nc(=N)[nH]c3c2CCCC3)CCO1 645180544 DJLIZVIBCHSWMV-JTQLQIEISA-N 278.356 0.620 0 50 CCAA Cc1cc(NNC(=O)c2cn(C(C)(C)C)nn2)ncn1 192335570 XMQIPTAGANNYOO-UHFFFAOYSA-N 275.316 0.888 0 50 CCAA CC(C)Cc1cc(C(=O)N2C[C@@H]3CNC[C@@H]3C2)[nH]n1 195249230 VDFPEOGXJYOCON-PHIMTYICSA-N 262.357 0.900 0 50 CCAA C=CC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 585086889 MSOOSJAXLYLUBD-UHFFFAOYSA-N 272.370 0.589 0 50 CCAA COC[C@H](C)S(=O)(=O)NC(=O)[C@H]1CCCO[C@H]1C 791810920 VITLFGGFYOTKMT-GUBZILKMSA-N 279.358 0.282 0 50 CCAA CC(C)N1CC[C@H](N2CCC[C@@H](n3cncn3)C2)C1=O 245466586 JIEPIIJADPWVTK-OLZOCXBDSA-N 277.372 0.924 0 50 CCAA CC(C)(C(=O)N1C[C@@H]2CC[C@]2(N)C1)n1ccc(N)n1 1615547004 RQJNSVAFEKSGHA-ZANVPECISA-N 263.345 0.150 0 50 CCAA Cc1noc(=O)n1CC(=O)N[C@H]1CCCC[C@@H]1C 1857528213 IEISOEASAIUEED-WPRPVWTQSA-N 253.302 0.840 0 50 CCAA COc1ccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c(C)c1 215186465 NFRGJHRIERJKJL-FZMZJTMJSA-N 279.336 0.819 0 50 CCAA CCCCNC(=O)CN1CCN(C(=O)OCCF)CC1 858883022 YJVUDEJCDCHJLG-UHFFFAOYSA-N 289.351 0.626 0 50 CCAA O=C(c1cccc(O)c1)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704327874 IZKONBVBJGSCGR-OKILXGFUSA-N 291.259 0.394 0 50 CCAA Cc1c(O)cccc1C(=O)N1CC[C@H](C(=O)O)[C@H](O)C1 1704336242 HWCUDTIENYHORB-CMPLNLGQSA-N 279.292 0.608 0 50 CCAA C[C@@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)C(=O)O 594530526 ZJZNEDKRWSNEAE-IUCAKERBSA-N 260.334 0.803 0 50 CCAA CS(=O)(=O)c1nc2ccccc2n1CC(=O)O 19737350 AOAPRGVLEXTFLR-UHFFFAOYSA-N 254.267 0.524 0 50 CCAA O=C(CCCn1cncn1)NCc1nc2ncccc2o1 1857692317 ZCTRLIRBTYCHPE-UHFFFAOYSA-N 286.295 0.911 0 50 CCAA NC(=O)CC1CN(C(=O)[C@@H]2CCc3cccc(O)c32)C1 557392405 UFFHSKYKUKKVQX-LLVKDONJSA-N 274.320 0.756 0 50 CCAA Cc1nc(CN2CC[C@@H]3NCCC[C@@]3(CO)C2)co1 247952501 KVEUUBJSMHDSFL-KBPBESRZSA-N 265.357 0.919 0 50 CCAA CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)O 1857782971 GLJYBMNQEBIVRZ-IWSPIJDZSA-N 275.301 0.720 0 50 CCAA CC(C)(C)OC(=O)NC[C@@]1(C(=O)O)CCCS1(=O)=O 1857783122 RMHQIUFIUXCWGI-LLVKDONJSA-N 293.341 0.543 0 50 CCAA CC(=O)c1ccc(C(=O)O[C@@H]2CCN(C)C2=O)[nH]1 1875263750 QXVQOHMCODAJFC-SNVBAGLBSA-N 250.254 0.605 0 50 CCAA O=C1NC2(CCCCC2)C(=O)N[C@@H]1Cc1ccccn1 1875319638 LHJCLLVHEZBSRR-GFCCVEGCSA-N 273.336 0.942 0 50 CCAA COC(=O)[C@@H](NS(=O)(=O)Cc1cscn1)C(C)C 1775990093 JIUNWBSGUWWGIV-VIFPVBQESA-N 292.382 0.760 0 50 CCAA CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)NC[C@H]1CCOC1 899799987 UZHNIZVJPSIJEJ-GBIKHYSHSA-N 255.314 0.886 0 50 CCAA CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(CN)cc1 236622540 WZFLFTHHPWTRIN-CYBMUJFWSA-N 275.352 0.742 0 50 CCAA CNC[C@H]1CCCN1C(=O)c1ccc(N(C)C)nc1 237256454 QYNAKSXPLBMPMM-GFCCVEGCSA-N 262.357 0.972 0 50 CCAA CCN(Cc1cnn(CC)c1)C(=O)NCC(=O)O 426394757 XCJOXORYSGNIJW-UHFFFAOYSA-N 254.290 0.519 0 50 CCAA Cc1ccc(O)cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 584894428 GMWZXUBTGPLAMM-STQMWFEESA-N 264.325 0.448 0 50 CCAA O=C1OCC[C@@]1(O)CN1CC[C@H](Cc2ccc(O)cc2)C1 2325807669 KZWHIRKLLHCMAX-CZUORRHYSA-N 291.347 0.935 0 50 CCAA COc1ccsc1C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)O 911635469 CYPJESPTQUNVFA-VXNVDRBHSA-N 285.321 0.807 0 50 CCAA CCOC(=O)c1c(C)n(OC)c2ccc3c(no[n+]3[O-])c12 158347 DTAHSBIFEDADHA-UHFFFAOYSA-N 291.263 0.959 0 50 CCAA Cc1ccc(NS(=O)(=O)c2cnc(O)[nH]c2=O)c(C)c1 4270315 UJZLGZQUUVTJAT-UHFFFAOYSA-N 295.320 0.893 0 50 CCAA Cc1ccccc1OCC(=O)NN1CCOCC1 4750009 RHWTWFTZHNIURG-UHFFFAOYSA-N 250.298 0.737 0 50 CCAA O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1[C@H]2CCCC[C@H]21 245418502 ALOWQRYHNLEOME-UKKRHICBSA-N 257.355 0.726 0 50 CCAA CCN1CC[C@H]1C(=O)NCC(=O)N1CCc2ccccc21 1361995845 QQSULWNDXJUWAL-AWEZNQCLSA-N 287.363 0.786 0 50 CCAA CC[C@@H](C(=O)N[C@H]1CCCOC1)N1CCCC1=O 170644224 IQVVAWBIKVKKEK-QWRGUYRKSA-N 254.330 0.683 0 50 CCAA O=C([C@H]1[C@H]2OCCC[C@@H]21)N1CCC(c2nnc(O)o2)CC1 425329043 YSBCJCILMRTVAC-MXWKQRLJSA-N 293.323 0.906 0 50 CCAA Cn1nnc2cc(C(=O)N3CC[C@H](C(=O)O)C3)ccc21 237830357 XUEQVLCXTIJMCR-VIFPVBQESA-N 274.280 0.515 0 50 CCAA NC(=O)c1cccc(OCCC(=O)N2CC[C@H](N)C2)c1 237920398 CGKBPUWWXOODNC-NSHDSACASA-N 277.324 0.114 0 50 CCAA CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc[nH]c2C2CC2)C1 366945735 QBOAVDHAQHKAMB-JTQLQIEISA-N 297.380 0.656 0 50 CCAA CO[C@@H](C)CS(=O)(=O)N1C[C@@H]2CCC[C@H](C1)N2 262148906 YSBOIQZWWCZTTC-GARJFASQSA-N 262.375 0.177 0 50 CCAA Nc1cnc(Br)nc1N1CCOCC1 43277631 JGXGDLIHAYYFCD-UHFFFAOYSA-N 259.107 0.658 0 50 CCAA NC(=O)NCC(=O)NCCc1noc(C2CCCC2)n1 216483131 BNHQNFRHMVINHF-UHFFFAOYSA-N 281.316 0.054 0 50 CCAA Cc1nnc(CNC(=O)[C@H]2Cc3ccccc3O2)o1 216247246 OMFXTTKDNBYHKL-LLVKDONJSA-N 259.265 0.998 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]1OC 333965176 PSGJGMSSTXJASV-QXMWZZNTSA-N 269.341 0.863 0 50 CCAA CCOC(=O)N1CC[C@H](N2C(=O)[C@H]3CCCN3C2=O)C1 242284657 YIPRSCXBKKYWAV-VHSXEESVSA-N 281.312 0.644 0 50 CCAA Cc1c(C(=O)N2CC[C@H](N)C2)cccc1N1CCNC1=O 132258014 KXVHLVSNIJJSPY-NSHDSACASA-N 288.351 0.698 0 50 CCAA CCN1CCC[C@@H](C(=O)NCCc2ncc[nH]2)C1 426697307 IDQOAIDYGUWSCQ-LLVKDONJSA-N 250.346 0.800 0 50 CCAA CC(=O)OC[C@@H]1O[C@@H](F)[C@H](OC(C)=O)[C@H]1OC(C)=O 228896389 VSPHMBCVTPKVTI-UKKRHICBSA-N 278.232 0.107 0 50 CCAA O=C(NCc1ccc2nonc2c1)c1cnccn1 221420937 DPPYRIBNZPCBCY-UHFFFAOYSA-N 255.237 0.943 0 50 CCAA O=C(CSc1ccccn1)N[C@@H]1CCCNC1=O 223594289 YFRNEUBJPMLKKS-SECBINFHSA-N 265.338 0.569 0 50 CCAA CC(C)[C@H]1CN(c2cnccn2)C[C@@H]1NS(C)(=O)=O 91441200 PCJNKGLOWUGSNH-MNOVXSKESA-N 284.385 0.487 0 50 CCAA C[C@@H](C(=O)NCCOCCO)n1cc(Cl)cn1 426730581 XAIRAPTUXABADQ-QMMMGPOBSA-N 261.709 0.223 0 50 CCAA CC[C@@](C)(O)CNC(=O)C(=O)Nc1nc(C)cs1 176049873 NQSHSYJKMGPUMR-LLVKDONJSA-N 271.342 0.667 0 50 CCAA C[C@H](CN1CCOCC1)C(=O)NCC1(CO)CCCC1 331033995 KMCLGLDFDPXSSH-CYBMUJFWSA-N 284.400 0.624 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCc1ccccn1 91663117 RJSUNRXAJKMJKF-GFCCVEGCSA-N 259.313 0.738 0 50 CCAA c1cc(N2CCN(c3ccc4nccn4n3)CC2)ncn1 91562965 KPTSZYFSRWIPCU-UHFFFAOYSA-N 281.323 0.846 0 50 CCAA COCc1cc(CNC(=O)COc2cccnc2)n[nH]1 244673826 HWIDJWJPLUBJHT-UHFFFAOYSA-N 276.296 0.646 0 50 CCAA Cc1cc(C)c(CNC(=O)C[C@H]2CN(C)CCN2C)cn1 244882781 XYZDETDYAYCFGI-HNNXBMFYSA-N 290.411 0.951 0 50 CCAA C[C@H](Cc1cnccn1)N(C)CCn1cc[nH]c1=O 252486836 HPFIOMJHYMOQQK-LLVKDONJSA-N 261.329 0.529 0 50 CCAA CN1CCN([C@H]2COC[C@@H]2Nc2ncc(F)cn2)CC1 534655037 NTUXHXBTLMLOEH-RYUDHWBXSA-N 281.335 0.042 0 50 CCAA CC(C)[C@@H](NS(=O)(=O)c1cn(C)cn1)c1nccn1C 534584248 PIXOUIXCKGYEBY-LLVKDONJSA-N 297.384 0.829 0 50 CCAA CNC(=O)CCN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 110693947 WBFWSECKUOYFCO-IJLUTSLNSA-N 256.346 0.391 0 50 CCAA CCCN1C[C@@H](NC(=O)Nc2cccnc2O)CC1=O 299787248 UDIIKVXXZLRHEN-VIFPVBQESA-N 278.312 0.920 0 50 CCAA Cc1cccnc1CN1CCN(C(=O)Cn2ccnc2)CC1 299773972 GZHWWZQJUKOKBU-UHFFFAOYSA-N 299.378 0.931 0 50 CCAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCNC2 299776982 GOJLJJRBSWGDKJ-UHFFFAOYSA-N 283.397 0.865 0 50 CCAA Cc1ncc(CNC(=O)/C=C/CN(C)C)c(O)n1 492464253 UZBYRMPMPQGGNU-SNAWJCMRSA-N 250.302 0.225 0 50 CCAA Cc1ncc(CN2CC[C@@H](CN(C)C)[C@H](O)C2)cn1 584885344 MUSHZBKXDNVIEB-UONOGXRCSA-N 264.373 0.529 0 50 CCAA Cc1nonc1CNC(=O)[C@@H]1CSC(C)(C)C(=O)N1 584892400 PYGILKNFXKBTBV-QMMMGPOBSA-N 284.341 0.004 0 50 CCAA CS(=O)(=O)NCC(=O)N1CC[C@H](Oc2ccccc2)C1 670461069 UGQVOQYFGAUHTR-LBPRGKRZSA-N 298.364 0.216 0 50 CCAA CCOC(=O)c1c(C)nc(N2C[C@H](O)[C@@H]2C)nc1C 1875316277 FQTPLFIGNQGODA-UWVGGRQHSA-N 265.313 0.840 0 50 CCAA COc1cc(CN(C)c2nccn(C)c2=O)sn1 1348335608 AGFUBNHCHXWNGZ-UHFFFAOYSA-N 266.326 0.882 0 50 CCAA CCOCCn1nc(C)cc1C(=O)N[C@H]1CCOC[C@@H]1O 1565525217 MBWYEPSCUPULJF-AAEUAGOBSA-N 297.355 0.108 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)CC(F)(F)F 643953312 PHIHKKWNNSZOPY-SNVBAGLBSA-N 282.262 0.692 0 50 CCAA O=C(O)c1cn([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)nn1 649254933 XQSCZUFLJIPKOS-GXSJLCMTSA-N 294.311 0.319 0 50 CCAA O=C(N[C@@H](CC1CC1)C(=O)O)c1nc2ncccn2n1 563451838 WPSQDGNJFXDLBB-QMMMGPOBSA-N 275.268 0.107 0 50 CCAA O=C(Cn1cc2ccccc2n1)NC[C@H]1CCNC[C@@H]1O 216833053 LGMGANYCZHDZQO-RISCZKNCSA-N 288.351 0.123 0 50 CCAA CCOC1(C(=O)N2CCO[C@@H](C(=O)NC)C2)CCCC1 375290542 ANWCDWWJGOAGJJ-LLVKDONJSA-N 284.356 0.309 0 50 CCAA CNC(=O)c1ccc(N2C[C@H]3CCCN3C(=O)[C@H]2C)nn1 1772700694 GLSMKFXNTGBMEP-NXEZZACHSA-N 289.339 0.036 0 50 CCAA O=C(c1ccc2nn[nH]c2c1)N1CCC([C@@H](O)CO)CC1 1772811347 SLURCYDSYOPXRW-ZDUSSCGKSA-N 290.323 0.163 0 50 CCAA Cn1ccn2ncc(C(=O)N3C[C@H]4C[C@@H](O)C[C@H]4C3)c12 1775979126 YAQVQJSYABYWQP-JGPRNRPPSA-N 274.324 0.516 0 50 CCAA CCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccnn1C 159894032 TXJDAAXTYICVPI-KWQFWETISA-N 251.286 0.804 0 50 CCAA Nc1ncccc1CN1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669591 IRUZVVQIFXRASL-SMDDNHRTSA-N 277.324 0.587 0 50 CCAA CC(C)(C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 16322849 MDOYIBRBFYLVBA-VIFPVBQESA-N 262.375 0.573 0 50 CCAA NC(=O)CC1(NC(=O)c2cc3cccn3cn2)CCC1 934427652 XEQGUTZNPDRXHQ-UHFFFAOYSA-N 272.308 0.862 0 50 CCAA Cc1c(C(=O)N[C@H]2CCSC2)nnn1[C@H]1CCNC1 1875267322 UYADPEFOSUMXBC-UWVGGRQHSA-N 281.385 0.356 0 50 CCAA O=S(=O)(CC1CC2(CC2)C1)NC[C@H]1COCCO1 1875289905 XEQJTKGYTFTKML-NSHDSACASA-N 275.370 0.511 0 50 CCAA Cn1c(O)nc2[nH]c(N3CCC(C)(C)C3)nc2c1=O 1875275409 NNPVNJVNRADRLO-UHFFFAOYSA-N 263.301 0.599 0 50 CCAA C=CC(=O)NCC(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C 1875301340 GGCNJGBRQCOXRA-XVKPBYJWSA-N 280.246 0.467 0 50 CCAA CN1C[C@@H](O)[C@H](CC(=O)N2CCC(n3cccc3)CC2)C1 1875401655 NYOOREAONHQTQZ-UKRRQHHQSA-N 291.395 0.964 0 50 CCAA C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cnccc1N 247975812 KUDNTFRVEMTLIV-QWRGUYRKSA-N 260.341 0.973 0 50 CCAA COC[C@@](C)(CC(=O)O)NC(=O)c1cccc(C)n1 237199055 RZLARKPIPKJSAV-CYBMUJFWSA-N 266.297 1.000 0 50 CCAA CS(=O)(=O)C[C@@H]1CCCN(c2cncc(N)n2)C1 386594772 FJFRKFMMHVLUTE-SECBINFHSA-N 270.358 0.320 0 50 CCAA COc1ccc(OC)c(NC(=O)CCn2cnnn2)c1 4726943 JTPPRAQQMJKPIZ-UHFFFAOYSA-N 277.284 0.719 0 50 CCAA O=C(O)[C@H]1CN(C(=O)Cc2cscn2)C[C@]12CCOC2 2325812749 DVDPMTYGDCFDEW-MFKMUULPSA-N 296.348 0.635 0 50 CCAA N=c1[nH]c(C(=O)NC[C@@H](O)c2cccc(O)n2)cs1 2356144533 BYGBRYUTHNVFBN-MRVPVSSYSA-N 280.309 0.120 0 50 CCAA Cc1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)cc1C 4158580 LDUDTPLDFANQSX-NWDGAFQWSA-N 255.339 0.873 0 50 CCAA C/C(Cl)=C\Cn1cnc2c1c(=O)n(C)c(=O)n2C 4955919 BRJXZSNWXYADKW-QPJJXVBHSA-N 268.704 0.576 0 50 CCAA COCCN1C(=O)C[C@H](Nc2ccc(N(C)C)cc2)C1=O 101129349 JHZPTZRWIWTLMZ-ZDUSSCGKSA-N 291.351 0.938 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CNCCN2C1=O 307627367 LJCUCZLZFKIRRY-RKDXNWHRSA-N 255.318 0.084 0 50 CCAA Cc1csc(CN(C)C(=O)[C@@H]2CCS(=O)(=O)C2)n1 118255728 XGDPBAKTDLHTBH-SECBINFHSA-N 288.394 0.845 0 50 CCAA Cc1cccc2nc(CN3C[C@@H]4CNC[C@@H]4C3)cc(=O)n12 420314861 RAORQEKVDMOSQW-BETUJISGSA-N 284.363 0.654 0 50 CCAA COc1ccc(Cl)cc1-n1c(CCN)n[nH]c1=O 65421245 ZAVBYBDYEPQKCI-UHFFFAOYSA-N 268.704 0.724 0 50 CCAA C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)C[C@H]1CCCO1 246952105 DDOISEDHFICPNI-JHJVBQTASA-N 288.413 0.664 0 50 CCAA CNC(=O)c1n[nH]c2c1[C@H](CCSC)CC(=O)N2 65404529 GOXXLOSFWBHLHL-ZCFIWIBFSA-N 268.342 0.948 0 50 CCAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2c[nH]c(=O)cn2)C1 67724838 PADUQKNEAZVXQY-MRXNPFEDSA-N 299.330 0.812 0 50 CCAA Cn1ncc2c(N3CC(N)C3)nc(C(C)(C)C)nc21 72153835 DRDJBACWSDMVGG-UHFFFAOYSA-N 260.345 0.808 0 50 CCAA COCC(=O)N1CCN(Cc2ccoc2)C[C@@H](C(=O)O)C1 219639904 HJEZMWYFIRWALD-GFCCVEGCSA-N 296.323 0.271 0 50 CCAA CN1CCO[C@H](C(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 230089327 RQHPOWFZIUMPGR-UPJWGTAASA-N 268.357 0.487 0 50 CCAA C[C@@H](O)Cn1ccnc1-c1cc2n(n1)CCCNC2 72474243 IDFUZZDOOCGGDX-SNVBAGLBSA-N 261.329 0.621 0 50 CCAA O=C1[C@@H](N2CCC[C@H](Cn3ccnn3)C2)CCN1C1CC1 328609697 MZRLXHHDCNEESJ-JSGCOSHPSA-N 289.383 0.753 0 50 CCAA Cn1cnc(C(=O)N2CCC(N=c3cccn[nH]3)CC2)c1 328881203 LBDDMAWIAILMTL-UHFFFAOYSA-N 286.339 0.349 0 50 CCAA Cc1cccc(NC(=O)NC[C@@]2(O)CCOC2)n1 124539941 UHJRCJCVJDKSEJ-LBPRGKRZSA-N 251.286 0.663 0 50 CCAA N=C(O)[C@H](CO)NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 330601230 GHTTVQLPTVIKRT-SFYZADRCSA-N 297.277 0.273 0 50 CCAA Cc1cnc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c(O)c1 331190075 JWOKILMEIRNXJZ-NIVTXAMTSA-N 270.354 0.935 0 50 CCAA O=C(N=c1cc[nH]cc1Br)N1CC(CO)C1 332427634 FVQOHHFGWVCZAC-UHFFFAOYSA-N 286.129 0.722 0 50 CCAA CCc1cc(NC[C@@H]2CC(C(N)=O)=NO2)nc(C)n1 241911267 UBBKWGGKGDSPEZ-VIFPVBQESA-N 263.301 0.390 0 50 CCAA C[C@@H](c1cccnc1)N1CCO[C@H](CN(C)CC(N)=O)C1 282227100 ZCHOLHADVMTFGG-GXTWGEPZSA-N 292.383 0.261 0 50 CCAA Cc1ccc(O)c(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)c1 222820068 CVFBEMPGGRECAJ-ZFWWWQNUSA-N 290.363 0.982 0 50 CCAA Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)O)O2 226087666 QANSTVADCKQCPM-JTQLQIEISA-N 271.294 0.607 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1CC(=O)Nc1cc(C)nn1C 284671141 OOVLGNJWDGDZOK-RYUDHWBXSA-N 296.371 0.403 0 50 CCAA COCCS(=O)(=O)c1ccc(NC(=O)COC)cc1 264913543 KJTQPAUMEJUYRZ-UHFFFAOYSA-N 287.337 0.692 0 50 CCAA O=C1CC2(CCCC2)CC(=O)N1CCn1cnnc1 95505334 WNTCLOQUEZBCIR-UHFFFAOYSA-N 262.313 0.988 0 50 CCAA O=c1cc(N2CCCCC2)cnn1C[C@@H]1COCCO1 95390342 CJOUCVCEODCUDU-CYBMUJFWSA-N 279.340 0.649 0 50 CCAA Cc1cc(C)c2[nH]c(CN[C@@H](CO)C(N)=O)cc(=O)c2c1 91677836 FVSXXBXMWCENBF-LBPRGKRZSA-N 289.335 0.081 0 50 CCAA CC(C)(N)C(=O)N1C[C@@H](C(=O)O)[C@H](c2cccnc2)C1 91974129 HBHRHRYTKXFOBC-WDEREUQCSA-N 277.324 0.446 0 50 CCAA CC(C)Nc1ncc(C(=O)NC2(C(N)=O)CCCC2)cn1 97480242 ABTIFXLJOYYNEG-UHFFFAOYSA-N 291.355 0.825 0 50 CCAA O=C(NCc1noc(-c2ccco2)n1)[C@@H]1C=CCN1 534588902 TVXMVGHYSDEUPV-QMMMGPOBSA-N 260.253 0.474 0 50 CCAA Cc1c[nH]c(C(=O)N2CCC3(CCC(=O)N3C)CC2)n1 584897887 BQZTVVOXWXTJFU-UHFFFAOYSA-N 276.340 0.945 0 50 CCAA OCc1nc(CCNC2CSCCSC2)no1 670456270 ODGCOTSPDBAFPJ-UHFFFAOYSA-N 275.399 0.543 0 50 CCAA CC[C@H](C(=O)O)N1CCC[C@@H](CN2CCOCC2)C1 240465937 GBPIJHBJWYMBBY-QWHCGFSZSA-N 270.373 0.894 0 50 CCAA COc1ccc(CN2CC[C@H](N)C2=O)c(OC)c1 70070008 YVVWEULDWBKIBD-NSHDSACASA-N 250.298 0.763 0 50 CCAA in-vitro O=C(Nc1ccc(OC2COC2)cc1)C1(O)COC1 1556208515 MFGSRZNYCPBWRV-UHFFFAOYSA-N 265.265 0.164 0 50 CCAA CN(C)CCO[C@H]1COCC[C@@H]1NC(=O)C1CC=CC1 1565515130 PDWFVLNYGNMZKY-KBPBESRZSA-N 282.384 0.805 0 50 CCAA COC[C@H]1CN(C(=O)C2CC(C)(O)C2)C[C@H](C)O1 408455945 FTASAMFCVYPUIM-MSLYCWSTSA-N 257.330 0.410 0 50 CCAA Cc1ncc(Cl)c(N2CCS(=O)(=O)CC2)n1 1145304406 JIEIXMWVBRMYMG-UHFFFAOYSA-N 261.734 0.673 0 50 CCAA C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@](C)(C(=O)O)C1 585139522 MTAJESUVSALDRF-NOZJJQNGSA-N 265.313 0.912 0 50 CCAA CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cnon2)C1 1615587258 WJMACUXLFSVLOW-MNOVXSKESA-N 294.355 0.971 0 50 CCAA O=c1oc2ccccc2n1CCN1C[C@H](O)[C@@H](F)C1 1615697949 WGYDTVNYGGKHNZ-ONGXEEELSA-N 266.272 0.609 0 50 CCAA Cn1cc(CN2CCC(N3CCC[C@@H](O)C3)CC2)cn1 1506425505 CYAITLNBMRPOAV-OAHLLOKOSA-N 278.400 0.841 0 50 CCAA CN(C)CCNS(=O)(=O)c1ccc(Br)o1 330824429 QQFOYFANEAYGBD-UHFFFAOYSA-N 297.174 0.882 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1CCC1(O)CCC1 643829768 KVLUGUXBMRSHHO-CQSZACIVSA-N 270.373 0.519 0 50 CCAA Cc1nnc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)s1 1704338519 UCRAGCYENJCTJM-ZYHUDNBSSA-N 291.380 0.672 0 50 CCAA CC(=O)c1ccnc(N2C[C@@H]3CNC[C@]3(CO)C2)c1 1772708506 HUFSJGYPWWHWJP-GXTWGEPZSA-N 261.325 0.302 0 50 CCAA Cn1ncc2c(O)nc(CN3C[C@@H]4C[C@@]4(C)C3)nc21 1772814510 CSCLOCZGIHIUQG-SDBXPKJASA-N 259.313 0.911 0 50 CCAA COc1cccc(C[C@@H]2NC(=O)[C@@H](CSC)NC2=O)c1 1857532767 RVUYZAJXXXOYKD-NWDGAFQWSA-N 294.376 0.584 0 50 CCAA Cc1nc([C@H]2CCc3ncnn3C2)n(-c2cnn(C)c2)n1 1857678082 RXIAKRLMYFYQMO-JTQLQIEISA-N 284.327 0.631 0 50 CCAA CC(=O)NCc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1 330557593 GFQBTZGHBILRGJ-KBPBESRZSA-N 294.326 0.868 0 50 CCAA CCCn1nc(C)c(C(=O)N2CCO[C@H](C(=O)O)C2)c1C 237053900 NHCGHHOHOBJVGN-NSHDSACASA-N 295.339 0.836 0 50 CCAA CCN(CC(=O)O)C1CC(NC(=O)c2ccoc2)C1 262730247 UILKJAXBNCKOBL-UHFFFAOYSA-N 266.297 0.947 0 50 CCAA CCS(=O)(=O)NC1CCN(CCn2ccnc2)CC1 903008966 SQHRGQKQOBIHNI-UHFFFAOYSA-N 286.401 0.287 0 50 CCAA O=C(NS(=O)(=O)c1ccccn1)[C@@H]1C[C@@H]2C[C@@H]2C1 850848508 SFPYKBJWNBNLNY-MYJAWHEDSA-N 266.322 0.933 0 50 CCAA CC1(C)[C@]2(C(=O)NO[C@H]3CCOC3)CC[C@@]1(C)C(=O)O2 1875268583 ZPFYCEAZNIYPFI-QCZZGDTMSA-N 283.324 0.945 0 50 CCAA O=C(NCCn1cnc2sccc2c1=O)N1CCC1 1875295008 AZHOQZDEKVTSOV-UHFFFAOYSA-N 278.337 0.873 0 50 CCAA CC1(C)CO[C@@H]1COC(=O)[C@H]1CC(=O)N(C2CC2)C1 1875293041 AJCHFOUNPZZOBJ-GXSJLCMTSA-N 267.325 0.966 0 50 CCAA O=C(CCc1ccncn1)N1CCOC[C@@]12CCOC2 1875252377 AUULYGLKORAIOI-AWEZNQCLSA-N 277.324 0.427 0 50 CCAA COC(=O)/C=C/CCNC(=O)Cn1c(C)c(C)sc1=O 1875311606 GWJDTBWTIBSLQH-GQCTYLIASA-N 298.364 0.762 0 50 CCAA Cn1nccc1CNC(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 888076021 OUAPVRUTZXBZCR-OLZOCXBDSA-N 289.339 0.927 0 50 CCAA CCO[C@@]1(C)C[C@H]1NC(=O)NCCc1cncnc1 888100124 NJYQHOWASAIBPQ-YPMHNXCESA-N 264.329 0.886 0 50 CCAA O=C(NS(=O)(=O)N1CCC1)c1cc2c(s1)CCC2 1775985064 OZTXONXPKYDGPI-UHFFFAOYSA-N 286.378 0.917 0 50 CCAA CCOC(=O)C(C)(C)C(=O)N1C[C@H](O)C(C)(C)C1 408268840 PCTJYARTGIKAOI-VIFPVBQESA-N 257.330 0.805 0 50 CCAA O=C(COc1cccc(F)c1)N1CCOC[C@@H](CO)C1 77424246 HHCSHWLSATUBPW-LLVKDONJSA-N 283.299 0.672 0 50 CCAA Cn1ccnc(NCC[C@@H](O)C(F)(F)F)c1=O 608086210 QHMQFGXWHCJTBR-ZCFIWIBFSA-N 251.208 0.506 0 50 CCAA C[C@@H]1CN(CCc2cnccn2)C[C@H]1N1CCOCC1 639513134 DOMYBQNDLXSVCU-UKRRQHHQSA-N 276.384 0.672 0 50 CCAA CC(C)(O)CN1CCN(c2ncnc3[nH]ccc23)CC1 339134307 UWFBEUBGAIPHKB-UHFFFAOYSA-N 275.356 0.851 0 50 CCAA COC(=O)c1nccc(N(C)C[C@@H]2CCC[C@H]2O)n1 596175936 XEIQZQCGNFQRHK-VHSXEESVSA-N 265.313 0.860 0 50 CCAA CNC(=O)CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1 214860533 PPYOQHJWGWFARE-JTQLQIEISA-N 271.361 0.722 0 50 CCAA O=C1CC2(CCC2)N(C(=O)C=C2CCOCC2)CCN1 2325760685 KJKOOQPASJPDPQ-UHFFFAOYSA-N 278.352 0.994 0 50 CCAA O=C1CC[C@@H](N2Cc3cc(O)ccc3C2=O)C(=O)N1 95582166 JJUMFQGCQAUIFH-SNVBAGLBSA-N 260.249 0.153 0 50 CCAA COc1ccc(C[C@@H](NC(C)=O)C(=O)O)cc1OC 403216 CDJLVVKXGZXTPW-SNVBAGLBSA-N 267.281 0.836 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)O 2571888 CMJCWQISQGNHHI-ZETCQYMHSA-N 275.305 0.413 0 50 CCAA CCN(CC)C(=S)S[C@H]1CS(=O)(=O)C[C@@H]1O 3076434 TULIRXDZFOOIPW-YUMQZZPRSA-N 283.440 0.504 0 50 CCAA CCC(=O)N[C@@H](C)C(=O)N1Cc2cnc(CC)nc2C1 67654229 PEKXUZKDRDUDPP-VIFPVBQESA-N 276.340 0.796 0 50 CCAA CCOCCC(=O)Nc1ccn([C@H]2CCNC2)n1 328627938 NEVMXFNREIQSAI-JTQLQIEISA-N 252.318 0.783 0 50 CCAA CO[C@@H](C)CC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328637340 VWRXKUOUKIBRKY-QWRGUYRKSA-N 266.345 0.650 0 50 CCAA CCCCS(=O)(=O)N1CCc2c(ncn(C)c2=O)C1 328626488 LTUZYYSBAZCOMT-UHFFFAOYSA-N 285.369 0.268 0 50 CCAA CC(=O)N1CCC(n2cc(CN3CC[C@H](O)C3)nn2)CC1 23399160 CYRJEMGADPZJOQ-AWEZNQCLSA-N 293.371 0.028 0 50 CCAA CC(C)(C)c1ncc2c(n1)CN(C(=O)Cn1cncn1)C2 67758902 OUZZHPGHGABFHR-UHFFFAOYSA-N 286.339 0.908 0 50 CCAA CN1CCC[C@H](CNC(=O)CCN2CCCO2)C1 67755150 XEOSZXCSVHWECH-GFCCVEGCSA-N 255.362 0.472 0 50 CCAA C[C@H](N[C@H](C)Cn1cccn1)C(=O)NC[C@H]1CCCO1 252504712 DGOIHVVPGDBIPA-FRRDWIJNSA-N 280.372 0.545 0 50 CCAA C[C@H](CNC(=O)C1(C(N)=O)CC1)Oc1cccnc1 215668021 FYYJUFHAFKVFHT-SECBINFHSA-N 263.297 0.231 0 50 CCAA Cc1nc2ncccn2c1C(=O)NCc1ccon1 215003718 DPFKJAPZKQSQHW-UHFFFAOYSA-N 257.253 0.956 0 50 CCAA CSc1ncc(CNC[C@]2(O)CCCNC2)n1C 72473841 RMLDDKWHLZDOPO-LBPRGKRZSA-N 270.402 0.346 0 50 CCAA C[C@@H](NC(=O)c1cccc2ccnn12)c1nnn[nH]1 72143670 GUBFSICZYQUFQA-SSDOTTSWSA-N 257.257 0.338 0 50 CCAA O=S(=O)(NC[C@H]1CCCN1)c1cccc2c1OCCO2 178919663 LMZYZTXKPUDSBD-SNVBAGLBSA-N 298.364 0.488 0 50 CCAA O=C(NC[C@@H]1C[C@H](F)CN1)c1n[nH]c2ccccc12 82121172 UNGADIRDNNWPQI-IUCAKERBSA-N 262.288 0.993 0 50 CCAA COc1cccc(CNC(=O)N2CC(O)C2)c1OC 426599819 XMQHURGWLGMONT-UHFFFAOYSA-N 266.297 0.590 0 50 CCAA O=C(C[C@@H]1CCNC1)NCc1cn2ccccc2n1 427323558 XZLONOVQMSCBKE-NSHDSACASA-N 258.325 0.950 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1cc(Cl)c[nH]1 426615147 LZOLJVNZKVXRCV-RYUDHWBXSA-N 299.758 0.498 0 50 CCAA CCC1=NO[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 97823124 DVEVWLQWIVVYAT-SECBINFHSA-N 279.296 0.668 0 50 CCAA C[C@@H](C(=O)N(C)CCc1ncon1)N1CCCCC1 426535873 MGBWAARJYVKDPJ-NSHDSACASA-N 266.345 0.945 0 50 CCAA COCc1cccc(C(=O)NCCc2c[nH]cn2)n1 97360178 CCBJTMXITXTZBP-UHFFFAOYSA-N 260.297 0.924 0 50 CCAA COc1ccc(Cn2ncnc2CCC(N)=O)cc1 97578772 NVNZYIXOTJFZEW-UHFFFAOYSA-N 260.297 0.753 0 50 CCAA O=C(O)[C@H]1CC2(OCCO2)[C@H]2CC[C@H]3C[C@@]12C(=O)O3 247376259 IJRZBQUJTVNAGY-KIKITERTSA-N 268.265 0.546 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C[C@H]2[C@@H]2[C@H]3C=C[C@@H](CC3)[C@@H]12 248010397 DOOUAZUNWYDYSF-ZNSCXOEOSA-N 259.309 0.676 0 50 CCAA N#Cc1cc(F)ccc1CN1CCC([C@@H](O)C(N)=O)CC1 299752657 UWUZIGVVXDLDCT-CQSZACIVSA-N 291.326 0.756 0 50 CCAA O=C(c1n[nH]c(O)n1)N1CC[C@@H](n2ncc3ccccc32)C1 542831811 VYOLCLSCYXDGLW-SNVBAGLBSA-N 298.306 0.947 0 50 CCAA COc1cc(C)ccc1C(=O)NC[C@@H]1CCNC[C@H]1O 534579707 SPMDYCFLOXRSDJ-WCQYABFASA-N 278.352 0.704 0 50 CCAA O=C(CCc1ncnn1CCO)NC1CCCC1 828778266 CJYOSNDEQMJMRN-UHFFFAOYSA-N 252.318 0.262 0 50 CCAA O=C(NCCCN1CCCC[C@H]1CO)c1ccc(O)cn1 584891467 BWBJVOVIHDPUSJ-LBPRGKRZSA-N 293.367 0.754 0 50 CCAA Cc1cc(O)nc(CCNC(=O)[C@@H]2CCOC2)n1 584900872 PKOCUBUOMXDHBW-SECBINFHSA-N 251.286 0.186 0 50 CCAA CCN1CCN(C(=O)c2cncc(=O)[nH]2)CC1(C)C 584891244 AWNKBOSHFSEJET-UHFFFAOYSA-N 264.329 0.326 0 50 CCAA CN(C)CCN1CCN(C[C@H]2CCOC2)CCC1=O 670452493 DSOFLDXCCRFGDZ-CYBMUJFWSA-N 269.389 0.119 0 50 CCAA CCN1C[C@@H](NC(=O)C(C)(C)n2cccc2)CC1=O 584885303 DPENEUARAJCLEZ-NSHDSACASA-N 263.341 0.960 0 50 CCAA Cc1nc2cc(CNC(=O)c3c[nH]c(=O)cn3)ccc2n1C 670441083 LLHHEZAZVHIKJV-UHFFFAOYSA-N 297.318 0.895 0 50 CCAA CC(C)C(=O)NCC(=O)N1CC[C@@H](C(C)(C)O)C1 584888466 BVJIWVIXUOBZOQ-SNVBAGLBSA-N 256.346 0.378 0 50 CCAA O=C(NCCN1CCCC[C@H]1CO)c1ccc[nH]1 670441166 YYRFEBZUOFFZTP-NSHDSACASA-N 251.330 0.591 0 50 CCAA Cc1cccc2ncn(C[C@@]3(O)CCCNC3)c(=O)c12 670446896 IYGAOWXIUQOCKO-OAHLLOKOSA-N 273.336 0.819 0 50 CCAA C=CC(=O)N1CC(C(=O)NC2(c3ncccn3)CCC2)C1 1875386931 FOYIRQZYIKNUMJ-UHFFFAOYSA-N 286.335 0.616 0 50 CCAA CCCCc1ccc(S(=O)(=O)N[C@H]2CNC[C@@H]2O)cc1 1565515783 BZQNJNGRKLQIBJ-KBPBESRZSA-N 298.408 0.640 0 50 CCAA O=C(O)CC[C@@]12CCC(=O)N1c1ccccc1-c1nnnn12 952963669 JEZYDMCZQHOOMZ-AWEZNQCLSA-N 299.290 0.998 0 50 CCAA Cc1c(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)ccn1C 887864230 UAOVAASNESBFEZ-KOLCDFICSA-N 299.396 0.330 0 50 CCAA CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(C)n1)C2 888097890 SEXNDHUWLRFQFH-APIJFGDWSA-N 293.415 0.384 0 50 CCAA C=Cn1cc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)cn1 897041752 LTVXQSIHBNHGSQ-CYBMUJFWSA-N 290.367 0.447 0 50 CCAA CCNS(=O)(=O)c1ccc(NCCOC)cn1 1776004275 OFTQOFREIIMFSY-UHFFFAOYSA-N 259.331 0.438 0 50 CCAA CCN1CCC(NC(=O)N2CC[C@@H](CO)C2)CC1 408213431 BFXBDGWKMQKSSB-LLVKDONJSA-N 255.362 0.495 0 50 CCAA CCn1ncnc1CNC(=O)N1CC[C@H](C)[C@H](O)C1 408309315 LULGMKRHBGSSMS-VHSXEESVSA-N 267.333 0.210 0 50 CCAA CN(CCN(C)C1CC1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 408518004 RKADSLSAPPMMDQ-WDEREUQCSA-N 253.346 0.051 0 50 CCAA C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCO1 193007359 SGULGIVXEYMSFA-MRVPVSSYSA-N 267.260 0.407 0 50 CCAA Cc1nsc(N2CC[C@@H](n3cc(C(=O)O)nn3)C2)n1 572511637 KBFHHTLTNLPRKC-SSDOTTSWSA-N 280.313 0.588 0 50 CCAA CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C(=O)O 663021445 OLLNUMGAZUZCDB-GMTAPVOTSA-N 295.339 0.960 0 50 CCAA Cn1ccnc1[C@@H]1OCC[C@H]1CNCCn1ccnc1 667766332 XCNIISGOJPGYQC-QWHCGFSZSA-N 275.356 0.984 0 50 CCAA O=C(O)[C@H](c1ccccc1F)N1CCS(=O)(=O)CC1 582306254 HWXXRPCXSQWLPJ-NSHDSACASA-N 287.312 0.682 0 50 CCAA C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1ccn(C)n1 585126709 GPOSOWKFRMULSV-UTLUCORTSA-N 264.329 0.500 0 50 CCAA O=C(O)Cc1ccc(CN2CCOC[C@@H](O)C2)cc1 77436434 GPZQSEBILHMAFJ-ZDUSSCGKSA-N 265.309 0.507 0 50 CCAA N=c1[nH]nc(N2CCCN(c3ncccn3)CC2)s1 1857679320 UDUNQKKMDWYARN-UHFFFAOYSA-N 277.357 0.457 0 50 CCAA CCn1ccc(C(=O)NCC2(C)COC2)cc1=O 1857691117 UXPBYOQUFAMUNF-UHFFFAOYSA-N 250.298 0.635 0 50 CCAA O=C(c1ccco1)N1CCCN(CCn2cnnc2)CC1 1529103413 BDXPZUSDKPLZTG-UHFFFAOYSA-N 289.339 0.719 0 50 CCAA CSCC[C@@H](O)C(=O)NCCSc1nccn1C 215167138 DRVQVOQOLMGMKN-SECBINFHSA-N 289.426 0.742 0 50 CCAA CCn1cc(NC(=O)[C@@H]2C[C@H](OC)CN2C)cn1 330529865 MJVDMNQGZGFMNQ-QWRGUYRKSA-N 252.318 0.561 0 50 CCAA CN(Cc1nccs1)S(=O)(=O)c1cn(C)cn1 331011241 VNLLARPOLACZES-UHFFFAOYSA-N 272.355 0.697 0 50 CCAA O=C(CCn1cncn1)N1CC[C@H](CN2CCCC2)C1 127295649 UHEAVFASOBPMNT-CYBMUJFWSA-N 277.372 0.613 0 50 CCAA O=C(CN1CCCCCC1)N(CCO)Cc1ncc[nH]1 1704333688 DLHYUJXAFKFLRC-UHFFFAOYSA-N 280.372 0.607 0 50 CCAA CO[C@H]1CCNC[C@H]1NC(=O)CC1CCN(C(C)C)CC1 1616107474 CKOQUSQMDBCCOW-CABCVRRESA-N 297.443 0.990 0 50 CCAA COCCn1cncc1CN1CCOC[C@@H](C(=O)O)C1 1775977791 MKDLFRVFLSHXIJ-NSHDSACASA-N 283.328 0.063 0 50 CCAA O=C(O)c1cnc(N2C[C@H]3CNC[C@@]3(CO)C2)c(Cl)c1 1772814941 VNLWYZKHPLRQEI-RNCFNFMXSA-N 297.742 0.451 0 50 CCAA CO[C@@H]1CCNC[C@@H]1NC(=O)c1ccc(F)c(O)c1 1772709867 NOUUNGSJPINQCB-CMPLNLGQSA-N 268.288 0.638 0 50 CCAA Cc1ccc(CN2CCN3C(=O)CN(C)C(=O)[C@H]3C2)cc1 14541860 JFCJRGWMEONUQX-CQSZACIVSA-N 287.363 0.480 0 50 CCAA CC(C)N1C(=O)N(C)C2(CCN([C@@H](C)CO)CC2)C1=O 14752697 LXTRPNNUBPBCHQ-NSHDSACASA-N 283.372 0.504 0 50 CCAA CC1(C)O[C@H]2[C@@H]3O[C@H](COc4nc(=O)ccn43)[C@H]2O1 169389569 AZOHLNWZDQIBIJ-QQRDMOCMSA-N 266.253 0.053 0 50 CCAA Cc1ccnn1CCN1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857705048 PSHSIVNIRCZREN-UKRRQHHQSA-N 292.383 0.155 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)c1cncc(Cl)c1)C2 1875241183 QFCOQOZIBRMRSB-KOLCDFICSA-N 295.726 0.322 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)c2ccncc2Cl)C1 644002545 PIQAPULGCWFDKA-ZDUSSCGKSA-N 297.742 0.578 0 50 CCAA COC[C@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)CCO1 646864937 ZIMAEGBJEXOISJ-NXEZZACHSA-N 280.328 0.098 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)[C@@H]2CCCC[C@]2(C)N)CC1 335937626 SLBKAROGXYLIBN-WFASDCNBSA-N 296.415 0.720 0 50 CCAA COC1(CN2C[C@@H](C(=O)O)CC2=O)CCOCC1 1875301930 WWASCRQWPZROQJ-VIFPVBQESA-N 257.286 0.115 0 50 CCAA Cc1nnccc1NC(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21 930816290 IIOAQASRPBMOPO-ZYHUDNBSSA-N 289.339 0.870 0 50 CCAA CSCC[C@H](N)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 237306997 LBCOABMICYISHO-TUAOUCFPSA-N 288.413 0.473 0 50 CCAA O=C(O)CN(C(=O)c1ccco1)C1CCOCC1 238110938 NSEKQBKKFPBSAD-UHFFFAOYSA-N 253.254 0.985 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N(C)CCC1CCOCC1 262398968 YKRFUBPMTCKEMH-YPMHNXCESA-N 270.373 0.638 0 50 CCAA O=C1NC2(CCNCC2)C(=O)N1Cc1cscn1 77337401 SWYZFIGJIVAPPJ-UHFFFAOYSA-N 266.326 0.317 0 50 CCAA CN(Cc1nc2ccccc2n1C)S(C)(=O)=O 529073 ACGWBJKSUZHIHU-UHFFFAOYSA-N 253.327 0.965 0 50 CCAA CCS(=O)(=O)[C@H](C)C(=O)N=c1cc[nH]c(C)c1C 2100556888 UPKQKQMXUYQMJJ-SNVBAGLBSA-N 270.354 0.882 0 50 CCAA O=C(Cn1c(=O)oc2ccccc21)N1CCOCC1 3353940 WMQSJGVCFVFHJS-UHFFFAOYSA-N 262.265 0.453 0 50 CCAA CCOC(=O)N[C@@H]1[C@H](NC(=O)OCC)N(C)C(=O)N1C 4992101 LNDFRMQBPSSIFA-OCAPTIKFSA-N 288.304 0.128 0 50 CCAA Cn1nccc1C(=O)NCc1cn2ccccc2n1 345368124 AZEOPPCUKNUQDH-UHFFFAOYSA-N 255.281 0.998 0 50 CCAA NC(=O)NCC(=O)N1CCO[C@H](c2ccccc2)C1 20326446 HQOTWWHBNRLNNA-NSHDSACASA-N 263.297 0.255 0 50 CCAA COCc1ccc(C(=O)Nc2ccn(CC(=O)O)n2)o1 122894761 HMBYIIFDUNUYOL-UHFFFAOYSA-N 279.252 0.959 0 50 CCAA CCn1ncnc1CS(=O)(=O)c1ncc(C)cn1 331345529 QKFTZUZLGJVXMG-UHFFFAOYSA-N 267.314 0.370 0 50 CCAA O=C(N[C@@H]1CCNC1)N1CCN(c2ccccc2O)CC1 332101308 CLRURHMILNFRBH-GFCCVEGCSA-N 290.367 0.586 0 50 CCAA COc1cc2nc(N3CCNCC3)nc(N)c2cc1OC 203311 APKHJGDGWQDBGM-UHFFFAOYSA-N 289.339 0.639 0 50 CCAA biogenic,in-vitro CCN1CC[C@@H](N(C)C(=O)CNCCOC)[C@@H](C)C1 236846559 CGTGPUFEEGDMNX-QWHCGFSZSA-N 271.405 0.411 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)NCc1nnc(C)o1 215531532 TYRBEHUMEYNFJI-VIFPVBQESA-N 286.357 0.252 0 50 CCAA CCc1ccccc1OCC(=O)N[C@@H]1CCC(=O)NC1=O 152180439 QZHYVFDOUSTKHW-LLVKDONJSA-N 290.319 0.549 0 50 CCAA CC[C@@H](C)[C@H](NC(=O)CCc1cc(O)no1)C(=O)O 217707556 XNNZKWIUQLHGCQ-HQJQHLMTSA-N 270.285 0.928 0 50 CCAA biogenic Cc1n[nH]c(C)c1CN1CCC[C@@](O)(CO)CC1 216218151 ICNONFFPPZAQHA-ZDUSSCGKSA-N 253.346 0.736 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2c(C)ccn2C)C1 284653335 SGHLLJYPBKARTA-UWVGGRQHSA-N 265.313 0.048 0 50 CCAA Cc1c(C(=O)N2CC[C@@H](N)C2)cccc1N1CCNC1=O 132258240 KXVHLVSNIJJSPY-LLVKDONJSA-N 288.351 0.698 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccccc1SC 77322566 XGWPCJKJUPTULX-KOLCDFICSA-N 293.392 0.696 0 50 CCAA O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1C[C@H]2CC[C@@H]1O2 155905716 KYMBCSNKSNBXIM-XWIASGKRSA-N 287.319 0.766 0 50 CCAA O[C@]1(CNCCSc2ccccn2)CNCCOC1 77504885 JVOVDDHMIVUWGS-ZDUSSCGKSA-N 283.397 0.114 0 50 CCAA CN1CCN(c2cnn(CC[C@H]3CCOC3)c(=O)c2)CC1 72143109 HOFFOEDGWAPODN-ZDUSSCGKSA-N 292.383 0.422 0 50 CCAA Cc1cc(CC(=O)N2CC(F)(F)C[C@@H]2CO)no1 366686273 VBHTVLBWGPLOHM-SECBINFHSA-N 260.240 0.754 0 50 CCAA C[C@H]1CS(=O)(=O)C[C@H]1N=c1cccc(-n2ccnc2)[nH]1 367935816 SLQPKDGPPQBQRS-WDEREUQCSA-N 292.364 0.534 0 50 CCAA C[C@@H](N)[C@H]1CCCN(C(=O)CN2CCCCC2=O)C1 156436755 RBQAHGOIYKURDD-NEPJUHHUSA-N 267.373 0.585 0 50 CCAA CN[C@H]1CCCN(C(=O)c2ccc(C(N)=O)s2)C1 134061293 DKTONVSPNRZAFZ-QMMMGPOBSA-N 267.354 0.671 0 50 CCAA COc1nc(C)ncc1C(=O)N1CC([C@H](C)O)C1 1548757940 FPZFLZLVLPPBPJ-ZETCQYMHSA-N 251.286 0.246 0 50 CCAA C[C@H](Cn1cncn1)NC(=O)CN1CCCCCC1=O 222641095 FRBSWRGMCLECQC-LLVKDONJSA-N 279.344 0.185 0 50 CCAA O=C(O)Cn1ccc(NC(=O)C[C@@H]2CCCO2)n1 178221365 OICWMSPXQRVTPE-QMMMGPOBSA-N 253.258 0.475 0 50 CCAA CN(C[C@@H](O)Cn1cnc(C2CCC2)cc1=O)C1CC1 290780766 MVTRTNFQDPIJDK-CYBMUJFWSA-N 277.368 0.966 0 50 CCAA CC[C@H]1CC[C@H](NC(=O)c2cnn(C[C@H](O)CO)c2)CC1 615240090 BNGPNINMWQDZSR-UBHSHLNASA-N 295.383 0.935 0 50 CCAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccncc1F 223448688 QHFFJLAUMPYCAH-MNOVXSKESA-N 298.270 0.209 0 50 CCAA N=c1[nH]nc(CCCNC(=O)C[C@@H]2CCOC2)s1 426633898 MABCIYJAWGGFIG-QMMMGPOBSA-N 270.358 0.426 0 50 CCAA Cc1cc(=O)n(Cc2nc([C@H]3CCOC3)no2)nc1C 96133137 IQPRLLMWLPLCDV-JTQLQIEISA-N 276.296 0.795 0 50 CCAA CC(C)=CC(=O)N1CCN(C)[C@]2(CCNC(=O)CC2)C1 91746497 TTZWJQJLJUCQRJ-OAHLLOKOSA-N 279.384 0.766 0 50 CCAA NC(=O)COc1cccc(CN2C[C@@H]3CCN[C@@H]3C2)c1 97776226 HJECQUAQWVPCCL-GXTWGEPZSA-N 275.352 0.344 0 50 CCAA COc1cc(NC(=O)NC2(CO)CCC2)ncn1 182194720 FHBMMDNXJBAOBL-UHFFFAOYSA-N 252.274 0.522 0 50 CCAA O=C(NC[C@H]1COc2ccccc2C1)c1c[nH]c(=O)cn1 95527430 NHFMXHUMPYWYKF-JTQLQIEISA-N 285.303 0.751 0 50 CCAA CN(C)c1nc(-c2ccc(S(C)(=O)=O)cc2)nn1C 96131778 LHUQFTXRGNMPRD-UHFFFAOYSA-N 280.353 0.952 0 50 CCAA CCc1nnc(CN(C)CCn2cc[nH]c2=O)o1 244633758 GJEDYTYXGJVLCS-UHFFFAOYSA-N 251.290 0.254 0 50 CCAA O=C1[C@H]2[C@@H]3[C@@H]4[C@@H]5[C@@H]6[C@H](C=C[C@H]6[C@H]6C(=O)[C@H]([C@H]3[C@@H]56)[C@@H]2O)[C@@H]14 247703738 BUXVXPFIGQLURW-VJANTSLZSA-N 268.312 0.531 0 50 CCAA N[C@@]12[C@@H]3[C@@H]4[C@@H]5[C@H]([C@@H]51)[C@](Br)([C@H]32)C41OCCO1 252428205 ULOACUZXAWMIQS-BCRKNYCPSA-N 270.126 0.326 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ccc(CN)cc2)CC1=O 299751673 RGKOUXMAGQEWIO-HONMWMINSA-N 287.363 0.884 0 50 CCAA CN(CC(=O)NCCCc1ccccn1)C1CCNCC1 534579004 HEWKMKBZPHOMKP-UHFFFAOYSA-N 290.411 0.814 0 50 CCAA CC(C)N1C[C@@H](CNC(=O)CCc2nncn2C)CC1=O 299758922 FNRMVPFIZYKBHY-LLVKDONJSA-N 293.371 0.121 0 50 CCAA CCc1nccn1C[C@@H](C)NC1CCN(CCO)CC1 828759853 HSRCNYZJRCMTGA-CYBMUJFWSA-N 280.416 0.880 0 50 CCAA NC[C@H]1CCCN(C(=O)NCCc2noc(C3CC3)n2)C1 670444401 IYHZELHBCMLXAK-SNVBAGLBSA-N 293.371 0.870 0 50 CCAA CCCN1CCN(C(=O)C2(Cn3ccnc3)CC2)CC1=O 670452739 URCPRQBTGZUPON-UHFFFAOYSA-N 290.367 0.744 0 50 CCAA CC(C)Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2O)nc(N)n1 1565510997 MHINUDTWEHIVBX-JQWIXIFHSA-N 294.355 0.137 0 50 CCAA CC(=O)N1CCS(=O)(=O)C[C@H]1c1ccc(C)o1 1875257411 VXUGDVLVDPVJHW-JTQLQIEISA-N 257.311 0.906 0 50 CCAA C[C@H]1C[C@H](NC(=O)c2cc[nH]c3nccc2-3)C(=O)O1 1875283753 DOZDIXRYUWIVTK-XVKPBYJWSA-N 259.265 0.948 0 50 CCAA O=C(c1n[nH]cc1C1CC1)N1CC(O)(c2cc[nH]n2)C1 1875295762 PTOQXQOOYLSJMM-UHFFFAOYSA-N 273.296 0.354 0 50 CCAA O=C(CSc1n[nH]c(O)n1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 1875333047 XLVQTMMHYMOYMS-JIGDXULJSA-N 284.341 0.117 0 50 CCAA O=C(O)C[C@H]1CCN(C(=O)Cc2nc[nH]n2)C2(CC2)C1 1875306119 UEBMCVSSYSLSLP-SECBINFHSA-N 278.312 0.593 0 50 CCAA COC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)cc2)C1 413979310 XFAMXZACGVXHCX-PHIMTYICSA-N 276.292 0.467 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(CCOC2CCC2)C1 643812000 FCXDCTHEXZYACZ-HNNXBMFYSA-N 284.400 0.861 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(C(=O)O)CNC[C@@H]2C1 690678413 UEYBXNQHEBIVJZ-RNCFNFMXSA-N 270.329 0.918 0 50 CCAA CN(CC(F)(F)F)C(=O)N1CCC[C@H]([C@H](O)C(=O)O)C1 568258147 BCWIMTYTMOHNER-YUMQZZPRSA-N 298.261 0.758 0 50 CCAA CO[C@H](C)CS(=O)(=O)Nc1cc(Cl)[nH]n1 585086428 ZZIROYNVPAMIQA-RXMQYKEDSA-N 253.711 0.840 0 50 CCAA FC(F)(F)CN1CCN(CCn2cnnc2)CC1 1506405725 NPJUQVKNYIBJAD-UHFFFAOYSA-N 263.267 0.458 0 50 CCAA N=c1[nH]nc(N2CCN(C3CCCC3)C(=O)C2)s1 1857679137 GOCLSVZOTODZPH-UHFFFAOYSA-N 267.358 0.542 0 50 CCAA CCc1c(C)nn(C)c1NC(=O)[C@H]1CCC(=O)N1 1529119412 HBSPYQHLAFVQCS-SECBINFHSA-N 250.302 0.508 0 50 CCAA Cc1nnc(N2CCC[C@@H](NC(=O)N(C)C)C2)nc1C 649553689 GBPJQHRRSHEHAZ-LLVKDONJSA-N 278.360 0.728 0 50 CCAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cnn[nH]1 1704300355 SEQMXLOMRCTOBT-PWSUYJOCSA-N 273.296 0.187 0 50 CCAA Cc1cnn(CCC(=O)N2CC[C@H](O)C[C@@H]2C)c1 346728822 VREXHGVBHZHTBI-RYUDHWBXSA-N 251.330 0.953 0 50 CCAA CCc1nnc(S(=O)(=O)CC(=O)N2CCCCC2)[nH]1 153152527 RPZKCTOCOWYFNM-UHFFFAOYSA-N 286.357 0.153 0 50 CCAA COCCOc1cccc(C(=O)NC[C@@](C)(CO)OC)c1 585090935 BJAQISZGVGRVDL-HNNXBMFYSA-N 297.351 0.839 0 50 CCAA CCCn1cc([C@@H](C)N[C@@H]2CCN(C(C)=O)C2)nn1 903062520 VIDXAJLJIUQEBZ-ZYHUDNBSSA-N 265.361 0.960 0 50 CCAA Cc1ncoc1CNS(=O)(=O)c1ccc(N(C)C)nc1 907596662 GFBBUJCBDDKXRE-UHFFFAOYSA-N 296.352 0.923 0 50 CCAA CCn1nc(C)c(C(=O)NC[C@H](CO)c2cccnc2)n1 816685361 MZWWYVZLRNNEHN-GFCCVEGCSA-N 289.339 0.507 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@@H]1Cc2ccccc2O1 858414708 GKWLTTPKYUBSNV-LBPRGKRZSA-N 274.320 0.751 0 50 CCAA O=C(NCCCCO)c1n[nH]c(=O)c2ccccc12 236495270 BNGILKRFXBLDFB-UHFFFAOYSA-N 261.281 0.425 0 50 CCAA C[C@H](O)CONC(=O)[C@@]1(CN)C[C@@H]2CCC[C@@H]2C1 2325801850 YIBJMKDSWGYRAQ-KQXIARHKSA-N 256.346 0.570 0 50 CCAA CS(=O)(=O)c1cc(C(=O)O)cc(S(C)(=O)=O)c1 154190 QFEITAHBBXTWDV-UHFFFAOYSA-N 278.307 0.192 0 50 CCAA Cn1nnnc1SCC(=O)NCc1ccccc1 262028 FCYAQSCXPNHRNJ-UHFFFAOYSA-N 263.326 0.619 0 50 CCAA O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F 1926549 ZAWDHYRVWWFEOT-LLVKDONJSA-N 266.272 0.601 0 50 CCAA CS(=O)(=O)CS(=O)(=O)c1ccc(NN)c(Cl)c1 2171653 ZNFGISSKPXWTKE-UHFFFAOYSA-N 298.773 0.401 0 50 CCAA O=C(NCCCO)C(=O)NCCc1ccc(Cl)cc1 2964274 QIDYWQOPGVLVJX-UHFFFAOYSA-N 284.743 0.497 0 50 CCAA CCOc1ccc([C@@H]2NS(=O)(=O)NC2=N)cc1 2969659 SGORAJSGHIFQCO-VIFPVBQESA-N 255.299 0.541 0 50 CCAA C[n+]1cccc(CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100846320 HEMUIXMMIUNTKT-XDQVBPFNSA-N 269.324 0.818 0 50 CCAA Cn1ncc(Cl)c1C(=O)NCCCN1CCOCC1 20427454 FPZIVLWQBHYQCZ-UHFFFAOYSA-N 286.763 0.526 0 50 CCAA COCCc1noc([C@@H](C)NC(=O)c2cnc[nH]2)n1 219021362 IVJFTILDNVRWCZ-SSDOTTSWSA-N 265.273 0.473 0 50 CCAA Cc1cccc(NC(=O)CCNC(=O)[C@@H]2COCCO2)c1 67675335 NGVABHLOJWVICA-ZDUSSCGKSA-N 292.335 0.855 0 50 CCAA CC(C)C[C@H](NC(=O)[C@H]1CCC(=O)NC1)C(=O)O 123016541 FXIOIVHLBJTIDY-IUCAKERBSA-N 256.302 0.128 0 50 CCAA Cc1c[nH]nc1C(=O)N1CCOC[C@H]1CC(=O)O 257653161 CDMPUNKLVOWOMT-MRVPVSSYSA-N 253.258 0.034 0 50 CCAA CN(CC(=O)N1CCOC[C@H]1C1CC1)CC1(O)CCCC1 367286281 NHAZLIBFOPOEID-AWEZNQCLSA-N 296.411 0.861 0 50 CCAA CCCN(CC(=O)O)C(=O)[C@@H]1CSCN1C(C)=O 330849831 MYHBXQDJEXMSMW-VIFPVBQESA-N 274.342 0.231 0 50 CCAA COC[C@@H](O)CCN[C@H]1CCCc2nn(C)cc21 331080150 LJMQUPHCCANFNG-JQWIXIFHSA-N 253.346 0.785 0 50 CCAA CC[C@H](C(=O)Nc1cnc(N(C)C)nc1)N1CCCC1=O 125630516 XEPRZIKNPYDHFC-LLVKDONJSA-N 291.355 0.882 0 50 CCAA Cn1nnc(Br)c1S(=O)(=O)NCC1CC1 236089109 SQRMDOMLGRDJDY-UHFFFAOYSA-N 295.162 0.266 0 50 CCAA NC(=O)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 71735690 JHXDKVVUAUOQSG-JTQLQIEISA-N 268.700 0.725 0 50 CCAA Cc1cc(N[C@@H](C)Cn2cncn2)nc(N(C)C)n1 32593072 VVFIMVAWBXSLGK-JTQLQIEISA-N 261.333 0.943 0 50 CCAA O=C(N[C@]1(CO)CCOC1)[C@@H](C1CC1)N1CCCC1 332908253 UTOCHEWYWNCOLP-OCCSQVGLSA-N 268.357 0.128 0 50 CCAA CCCc1cc(CN(C)C(=O)[C@H]2CNCCO2)n[nH]1 71755503 PASDEPMUWIMGRX-GFCCVEGCSA-N 266.345 0.309 0 50 CCAA Cn1nccc1NC(=O)C[C@@H]1CCCCNC1=O 334412087 NKNHNJFMBRMKGH-VIFPVBQESA-N 250.302 0.665 0 50 CCAA COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 46384846 SCPDCYHHHULFEM-UHFFFAOYSA-N 294.126 0.883 0 50 CCAA N[C@H]1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1 132668931 BRJQHHDDTNVFHL-HNNXBMFYSA-N 289.379 0.692 0 50 CCAA CCn1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2COC)cn1 223377568 ZTOWKCNGGKJBHQ-LOWDOPEQSA-N 279.340 0.683 0 50 CCAA CC[C@H](NC(=O)c1cncc(=O)[nH]1)c1ccnn1C 426563083 HUQUAZHYEIYNLG-QMMMGPOBSA-N 261.285 0.385 0 50 CCAA O=C(Cc1nc(O)n[nH]1)NCCN1CCc2ccccc21 426420027 HNHYYMUXUXDRAN-UHFFFAOYSA-N 287.323 0.232 0 50 CCAA Cc1nnnn1CCC(=O)N[C@@H](C)c1nnc(C(C)C)o1 426728211 GXVOKAIEUHFHEI-QMMMGPOBSA-N 293.331 0.755 0 50 CCAA O=C(O)CCC1CCN(C(=O)c2cncc(=O)[nH]2)CC1 426389586 HOWJMHGRBOPBGZ-UHFFFAOYSA-N 279.296 0.487 0 50 CCAA CCCN1CCC(CC(=O)NCc2cc(=O)[nH]cn2)CC1 95509793 DJBQCSKIBYDWBC-UHFFFAOYSA-N 292.383 0.898 0 50 CCAA CCn1cc(C(=O)N2CCO[C@H](C(=O)O)C2)c(C(C)C)n1 237232582 JJPIRPLZZVSZIY-NSHDSACASA-N 295.339 0.952 0 50 CCAA CCCCSc1nc(N)cc(N2CCNC(=O)C2)n1 95392874 NUMNMMCNDZBAME-UHFFFAOYSA-N 281.385 0.887 0 50 CCAA O=C(O)CCn1cc(CN2CCN3CCC[C@@H]3C2)cn1 97402381 NAUHKHNDEIITKN-CYBMUJFWSA-N 278.356 0.638 0 50 CCAA COCCS(=O)(=O)N1CCOc2nc(C)ccc21 181036836 QTNYHPPKQCYSPV-UHFFFAOYSA-N 272.326 0.565 0 50 CCAA CN1CC[C@H](C(=O)NCc2ccc(C(=O)O)cc2)CC1=O 299747324 CPLWAOORPFYBJK-LBPRGKRZSA-N 290.319 0.869 0 50 CCAA CC(C)CN1CC[C@H](C(=O)N2CCC[C@H]2CN)C1 299739118 KSIDLGKATNSHHP-STQMWFEESA-N 253.390 0.914 0 50 CCAA C[C@@H](CCNC(=O)c1cncc(F)c1)N1CCN(C)CC1 534588173 KCCVDZKFFHCDTR-LBPRGKRZSA-N 294.374 0.977 0 50 CCAA CN(CC(=O)NCC1(CO)CCCC1)C1CCNCC1 534652332 ZZVYDWBCOXQCIX-UHFFFAOYSA-N 283.416 0.339 0 50 CCAA CCCn1ccnc1CNC(=O)[C@H](C)CN1CCOCC1 534665400 XNUJERVGIDGYOC-CYBMUJFWSA-N 294.399 0.878 0 50 CCAA O=C(Cc1cccs1)N1CCN2C(=O)OC[C@H]2C1 374575567 GSMQTNIJJBOHPS-SECBINFHSA-N 266.322 0.954 0 50 CCAA COc1ccccc1CCNC(=O)CCc1nc(O)n[nH]1 1940197230 BCONNKFKEXTQOK-UHFFFAOYSA-N 290.323 0.810 0 50 CCAA COC(=O)[C@H]1CC12CCN(c1ccc3nnnn3n1)CC2 408157084 HDKPENBYSAIJKI-SECBINFHSA-N 288.311 0.299 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cnc[nH]1 643829866 PBLBZCOJBUHOBT-GFCCVEGCSA-N 252.318 0.137 0 50 CCAA CCc1c(C(=O)N2C[C@@H]3CC[C@@]3(N)C2)nnn1CC 1615547900 VWLPVXWFDVNQQJ-TVQRCGJNSA-N 263.345 0.424 0 50 CCAA NCc1ccc2nc(C(=O)N3C[C@H](F)[C@H](F)C3)cn2c1 1615552946 FNUGVMRLNRGUPO-AOOOYVTPSA-N 280.278 0.925 0 50 CCAA C=CS(=O)(=O)CCN1CCO[C@]2(CCO[C@H]2C)C1 1616035101 KXSUJUCNRAMZGS-NWDGAFQWSA-N 275.370 0.425 0 50 CCAA Nc1ncccc1CN1CCN(C2CCOCC2)CC1 215337568 RBPHIVTZFLKDRC-UHFFFAOYSA-N 276.384 0.960 0 50 CCAA Cc1nc(C)c(S(=O)(=O)N2CCC[C@H]2CN)s1 237610023 ATUNHNGSKXPCAM-VIFPVBQESA-N 275.399 0.872 0 50 CCAA CCC[C@]1(CO)CCCN1C(=O)[C@@H](C)NS(C)(=O)=O 331278624 AAFISZMMROIHDJ-ZYHUDNBSSA-N 292.401 0.078 0 50 CCAA CCN(C)C[C@H](C)C(=O)N(CCO)Cc1ncc[nH]1 1704314126 OWXXKIADLIUCFD-NSHDSACASA-N 268.361 0.318 0 50 CCAA CC(C)=CCN1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857690637 IGRPWWAQJMRFCN-GXTWGEPZSA-N 252.358 0.916 0 50 CCAA O=C(c1ccoc1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857709976 BKDAUUNIFCSIFE-MFKMUULPSA-N 262.265 0.453 0 50 CCAA c1nc(N2CCN(CCn3cncn3)CC2)c2[nH]ccc2n1 1772811714 XAGJLBUWLNMVOB-UHFFFAOYSA-N 298.354 0.372 0 50 CCAA COCc1cc(CNC(=O)[C@H]2CCn3nccc3C2)[nH]n1 1857708365 PZFLYAQMHYHJRB-JTQLQIEISA-N 289.339 0.631 0 50 CCAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)n(C)n1 1857715792 IOKHWUGJHSJJOZ-TUAOUCFPSA-N 278.356 0.320 0 50 CCAA Cc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc1Cl 1875240624 CUQBYMLLUOFCNG-UMSGYPCISA-N 297.738 0.905 0 50 CCAA C[C@H]1COC[C@H]2CN(C(=O)CNc3cccnc3)CCN12 1875243410 GJGLQFJRFMFXQJ-GXTWGEPZSA-N 290.367 0.425 0 50 CCAA Cn1ccnc1CCN1CCN2[C@@H](C3CC3)COC[C@H]2C1 1875251262 UKNBRWUCPPLVJA-HUUCEWRRSA-N 290.411 0.758 0 50 CCAA CN(C)C(=O)c1cncc(N(C)C[C@@H]2CCC[C@H]2O)n1 342773451 BKENBFGNCQALPS-CMPLNLGQSA-N 278.356 0.776 0 50 CCAA COc1ncc(C)cc1NC(=O)N1CCNC(=O)[C@@H]1C 154998152 MADCISMLEYSQLZ-VIFPVBQESA-N 278.312 0.751 0 50 CCAA O=C(c1cnc2cc[nH]c2c1)N1C[C@@H](O)C[C@H]1CO 907496208 MBONFICDFJVLSA-UWVGGRQHSA-N 261.281 0.131 0 50 CCAA COc1ncc(CN2CC[C@@H](O)[C@H](CO)C2)cc1Cl 1235696466 FEKJKGBBWBXVOW-CMPLNLGQSA-N 286.759 0.919 0 50 CCAA COc1cccc([C@@H]2C[C@H](O)CN2C[C@H](O)[C@H](C)O)c1 824774957 XHVJPHFRHXLPTF-LVGORTOPSA-N 281.352 0.545 0 50 CCAA C[C@@H]1C[C@@H](NC(=O)c2cc[nH]c3nccc2-3)C(=O)O1 1875283750 DOZDIXRYUWIVTK-GMSGAONNSA-N 259.265 0.948 0 50 CCAA O=C(N1CC[C@@]2(CCOC2=O)C1)C(F)(F)C1(O)CCC1 1875274834 JVQMAPJDHSGCOA-LLVKDONJSA-N 289.278 0.702 0 50 CCAA COC(=O)CC[C@H]1NC(=O)[C@H](CC2CCCC2)CNC1=O 1875310918 GYRFDPAXTLCKEQ-VXGBXAGGSA-N 296.367 0.751 0 50 CCAA O=C(Cc1cncnc1)Nc1cccc(O[C@@H]2CC(=O)N2)c1 1875383408 SGVQMOZIVBYLOT-OAHLLOKOSA-N 298.302 0.883 0 50 CCAA Cc1cc(N2CC[C@H](n3cc([C@H](C)O)nn3)C2=O)n(C)n1 881330382 PPEYGAFVHUPRHZ-ONGXEEELSA-N 290.327 0.351 0 50 CCAA Cc1cnn([C@@H]2[C@@H](NC(=O)Cc3ccon3)C[C@H]2O)c1 888077188 RFKCAYQXEGUXJX-DMDPSCGWSA-N 276.296 0.213 0 50 CCAA CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(C)nc2)C1 153860622 HKVHXNCUSLXZEH-NSHDSACASA-N 283.353 0.154 0 50 CCAA Cc1nnc(CN2CCCN(S(C)(=O)=O)CC2)s1 299766750 FFPBPEKDMAWMIH-UHFFFAOYSA-N 290.414 0.314 0 50 CCAA COC[C@@H]1CN(c2ccc(C(=O)OC)cn2)CCO1 408517062 AJWWGDJZGGPMBZ-NSHDSACASA-N 266.297 0.720 0 50 CCAA CS[C@@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 328597860 JDEMOIHYFVNCNC-GFCCVEGCSA-N 271.430 0.588 0 50 CCAA CCCS(=O)(=O)NC[C@@H]1CCn2ccnc2C1 681822848 ZXTDIEVHSAOJTN-SNVBAGLBSA-N 257.359 0.775 0 50 CCAA CC(C)=CCCc1nc(CC(N)=O)nn1-c1ccnn1C 2100555272 OOQXRDZYWSMCGQ-UHFFFAOYSA-N 288.355 0.927 0 50 CCAA COCCN1CCN(c2ccc(C(F)F)nn2)CC1=O 2325802141 LCJSVQZKIQXPAO-UHFFFAOYSA-N 286.282 0.709 0 50 CCAA CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 1272 REQFWARMBJWJAQ-UHFFFAOYSA-N 262.718 0.608 0 50 CCAA in-man CCOC(=O)[C@@H](NC(C)=O)[C@H](O)c1cccc(N)c1 2907422 KORALONGOVHBBY-NWDGAFQWSA-N 266.297 0.370 0 50 CCAA Cc1nc(N2C[C@H]3COC[C@@]3(CO)C2)c2c(C)noc2n1 2356167278 LVBILUCFEKKYSG-HZMBPMFUSA-N 290.323 0.680 0 50 CCAA Cc1nnc(NC(=O)N2CCN(C)C(=O)C2)s1 63871096 CTHWRPLTQGPDLX-UHFFFAOYSA-N 255.303 0.152 0 50 CCAA COc1ccccc1N([C@@H](C)C(=O)O)S(C)(=O)=O 20130873 XDJHUONADWFXLU-QMMMGPOBSA-N 273.310 0.934 0 50 CCAA Cc1ccccc1CCNC(=O)[C@@]12CNC[C@@H]1CN(C)C2 65526015 YSDHWMCIBIOGGX-NVXWUHKLSA-N 287.407 0.805 0 50 CCAA COC(=O)[C@@H](C)N1CCc2nnc(C(C)C)n2CC1 39509178 WOGFCEKOSIFONB-SNVBAGLBSA-N 266.345 0.821 0 50 CCAA CC(C)n1cc(C[C@H]2N=C(O)N(CC3CC3)C2=O)nn1 328615113 XRHJKYGXEQWIFC-LLVKDONJSA-N 277.328 0.936 0 50 CCAA CC(C)Oc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2)cc1 151017869 RFAFSWUTKCABFA-OCCSQVGLSA-N 278.352 0.813 0 50 CCAA Cc1nc(C)c(CC(=O)N2C[C@@H](C)N[C@H](C)C2)c(=O)[nH]1 153226328 WOGXJSKFLHYKJX-RKDXNWHRSA-N 278.356 0.138 0 50 CCAA CC(C)c1nc2n(n1)C[C@@H](NC(=O)/C=C/CN(C)C)CC2 366068256 OONRRQHJSQTICT-FYJFLYSWSA-N 291.399 0.950 0 50 CCAA O=C(CCc1cc2n(n1)CCCNC2)N1CC=C[C@@H]1CO 72429665 ZWEDBGLQNWZAFE-CYBMUJFWSA-N 290.367 0.068 0 50 CCAA COc1ncccc1C(=O)N[C@@H](CC(F)F)C(=O)O 261610103 SFFRWXZQQLYQGM-ZETCQYMHSA-N 274.223 0.928 0 50 CCAA C[C@H](c1ccon1)N(C)C(=O)CN1C(=O)NC(C)(C)C1=O 217554793 UZSIVXSLLQUXPC-MRVPVSSYSA-N 294.311 0.524 0 50 CCAA CN(Cc1ccc2nonc2c1)C(=O)[C@H]1CNCCO1 215234553 PSPRSQHGXQZKTM-GFCCVEGCSA-N 276.296 0.170 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)/C=C/CN(C)C)[C@]12CCCO2 371892922 BQVWVUFFUXJOPQ-HIXHAHCQSA-N 282.384 0.947 0 50 CCAA CN(C)c1nc2c(c(N3CCOC[C@@H](O)C3)n1)CCCC2 77553441 QZASAUUIOFWWED-NSHDSACASA-N 292.383 0.619 0 50 CCAA CCN1CCN(c2ncnc3[nH]cnc23)C[C@@H]1c1ncc[nH]1 373634117 DLPIHTARAVJHCC-SNVBAGLBSA-N 298.354 0.959 0 50 CCAA COCCS(=O)(=O)N1C[C@H](CO)Oc2ccccc21 378112929 QBABBTSOVLGQBZ-SNVBAGLBSA-N 287.337 0.223 0 50 CCAA C[C@H](COCC(F)(F)F)NC(=O)[C@@H]1CCNC1 239882235 DAQJUKJHJRXUJL-HTQZYQBOSA-N 254.252 0.680 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1c1ncc(Br)cn1 284495906 GSFVMPWVXUZAMA-RQJHMYQMSA-N 289.108 0.641 0 50 CCAA C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)C[C@H]1C(N)=O 284891786 RHTVJYZZADDZDJ-MWLCHTKSSA-N 290.319 0.538 0 50 CCAA Cc1[nH]nc(C(=O)NCCN2CCCC2=O)c1Cl 426514612 GWXNGWCDXHHQKL-UHFFFAOYSA-N 270.720 0.724 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)Cc1cc(C)no1 222885126 QKVROEGHTZWXBC-RYUDHWBXSA-N 267.329 0.361 0 50 CCAA CNC(=O)c1ccc(CNC(=O)[C@@H](O)CC(C)C)o1 220117060 HUMSWHPEHIQGJW-JTQLQIEISA-N 268.313 0.662 0 50 CCAA CC[C@H](NC(=O)Cn1ccnn1)c1ncnn1CC 426548801 OZPXIBSXIILWFL-VIFPVBQESA-N 263.305 0.157 0 50 CCAA Cc1n[nH]c(C)c1[C@H](N)C(=O)NCc1ccccn1 91663116 RJSUNRXAJKMJKF-LBPRGKRZSA-N 259.313 0.738 0 50 CCAA CCc1cnc(N)nc1N1CCC[C@@](CO)(CN(C)C)C1 95366182 KSHYKWZKNCRPOZ-OAHLLOKOSA-N 293.415 0.762 0 50 CCAA CC(C)N1CCC(C(=O)N[C@@H](C)c2nnn[nH]2)CC1 95388127 ZKXKRPVDCSCRGE-VIFPVBQESA-N 266.349 0.497 0 50 CCAA CC(C)c1nccn1[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 95391333 HRFLUMOONQSDFX-NSHDSACASA-N 299.396 0.825 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@@]13CCC[C@@]53[C@H]42 248045452 PMEPXPVQINDYQV-RRVWZAJZSA-N 257.293 0.120 0 50 CCAA O=C(N[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCC[C@@H](C(=O)O)C1 249315301 PKDGVZZFJYCDCH-AXFHLTTASA-N 294.351 0.757 0 50 CCAA COc1cc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)ncn1 182139471 IYXINFHAJUFOIQ-VIFPVBQESA-N 288.311 0.887 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)Cc1ccccc1O 534634232 PVARTKZMKQBECB-AAEUAGOBSA-N 265.309 0.855 0 50 CCAA Cc1ccn2cc(CNC(=O)[C@H]3C=CCN3)nc2c1 534640965 YOQMWZYDAYTRMI-GFCCVEGCSA-N 256.309 0.787 0 50 CCAA Cc1cc(=O)cc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)o1 534584178 MCYBIPSNXKUHSE-STQMWFEESA-N 292.335 0.541 0 50 CCAA CN(Cc1nncn1C)C(=O)Cn1ncc2ccccc21 288518034 XDUGKFMDEDRBMC-UHFFFAOYSA-N 284.323 0.823 0 50 CCAA Cc1nnc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)o1 299781568 HZZOQVWEHNRMRV-QWRGUYRKSA-N 276.300 0.315 0 50 CCAA CCc1nn(C)c2c(=O)n([C@H](C)Cn3cncn3)cnc12 584894108 XUVPINUGQUHDDL-SECBINFHSA-N 287.327 0.545 0 50 CCAA C[C@@H](CN1CCOCC1)C(=O)N(C)CC1(C)COC1 584890031 NEXROFVBQSVRBX-LBPRGKRZSA-N 270.373 0.450 0 50 CCAA CCN1CCN(CC(=O)NC(C)(C)CCC(=O)NC)CC1 670448971 UYFPQDGPEJRRCV-UHFFFAOYSA-N 298.431 0.045 0 50 CCAA C[C@H]1C[C@@H](NC(=O)c2n[nH]c3ccccc23)C(=O)O1 267829997 JVIHOWYAVBXKNL-OIBJUYFYSA-N 259.265 0.997 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)c1cc(CO)ccn1 1565525272 SQCBJRCQFQUAQP-JQWIXIFHSA-N 266.297 0.108 0 50 CCAA CC[C@@]1(O)CCCN(C(=O)NCc2nc(N(C)C)n[nH]2)C1 637788986 OMRWKHNVJNCAJJ-CYBMUJFWSA-N 296.375 0.317 0 50 CCAA COc1ccc(CCNC(=O)[C@@H]2CNC(=O)C2)cc1 110342067 AIYFUPXHULBKFV-NSHDSACASA-N 262.309 0.490 0 50 CCAA CO[C@H]1CCCN(C(=O)c2cnc(C)[nH]c2=N)C1 535047474 PAAOPOTZUKEILL-VIFPVBQESA-N 250.302 0.449 0 50 CCAA CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1nc(C)nc(C)c1C 664268829 MALMJUDXBDITCP-QWRGUYRKSA-N 285.369 0.626 0 50 CCAA CO[C@@]1(C)CCCN(C(=O)[C@H](C)NC(N)=O)CC1 357796088 GTGJDVLQKCUMFK-CABZTGNLSA-N 257.334 0.461 0 50 CCAA COCC[C@H]1COCCN1Cc1nnc(C2CC2)n1C 368286034 CDUIDAYMSIPECD-LBPRGKRZSA-N 280.372 0.930 0 50 CCAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1n[nH]c(O)n1)C2 1704298456 HCLQXWQCZLHTJJ-NOZJJQNGSA-N 280.328 0.932 0 50 CCAA Cc1cc(O)cc(=O)n1CCNC(=O)c1ccncc1 1547201052 SBUICZHDSGJHOI-UHFFFAOYSA-N 273.292 0.687 0 50 CCAA CO[C@H](CN)C(=O)NCCc1c[nH]c2ccccc12 227375889 GVSZFAKYGGCDJP-CYBMUJFWSA-N 261.325 0.800 0 50 CCAA Cc1ncsc1C(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857715255 IZNBTNHFOZCFEY-RNCFNFMXSA-N 293.348 0.625 0 50 CCAA CC(C)(C)NC(=O)CNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 121895682 UVMZPSDMJRHNMN-NXEZZACHSA-N 284.356 0.908 0 50 CCAA COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)O 5050207 MWAUMGVPKFBQTA-UHFFFAOYSA-N 273.310 0.709 0 50 CCAA CN1c2cnc(N)nc2-c2sccc2S1(=O)=O 15106416 QRKRFOYWUKSZNK-UHFFFAOYSA-N 268.323 0.926 0 50 CCAA O=C(O)c1cccnc1N[C@@H]1CCS(=O)(=O)C1 19844922 GVNFOUNQWQKHFS-SSDOTTSWSA-N 256.283 0.379 0 50 CCAA Cn1c(=O)nc(O)c2nc(C=Cc3ccco3)c(=O)[nH]c21 1857532284 RWAKRCXDZXDEAY-UHFFFAOYSA-N 286.247 0.486 0 50 CCAA CCc1c[nH]c(=N)nc1N1C[C@@H]2CNC(=O)C[C@@H]2C1 1857690211 WPBZBSNVYKFKQJ-ZJUUUORDSA-N 261.329 0.024 0 50 CCAA CCn1cnnc1CN1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857734756 QAGHUXBNAHPSEI-WOPDTQHZSA-N 266.345 0.270 0 50 CCAA COc1ccnc(CN2CCO[C@H](Cn3ccnn3)C2)c1 639862674 YBRHYQLQSBFOAR-AWEZNQCLSA-N 289.339 0.583 0 50 CCAA COc1cc(C)c(C)cc1S(=O)(=O)NCCO 11566266 SIELBJFTFQSAQN-UHFFFAOYSA-N 259.327 0.583 0 50 CCAA Cc1c(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cnn1C 340343055 IZSLTFZOUBMDFX-LLVKDONJSA-N 292.383 0.992 0 50 CCAA O=C(O)[C@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)CCO1 360552802 LBOTYIOBXJLZTL-WDEREUQCSA-N 295.266 0.441 0 50 CCAA CCCCCOCC(=O)N1CCO[C@@H](Cn2ccnn2)C1 585127522 CEPPHIPZEVJOFQ-CYBMUJFWSA-N 296.371 0.712 0 50 CCAA Cc1nnc2ccc(N3CC[C@](O)(C(F)(F)F)C3)nn12 266772714 YPTAPGSSKIGODE-SNVBAGLBSA-N 287.245 0.936 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)CCCc1cn[nH]c1)C2 1704329301 PSUQRFVZJWPSAB-KBPBESRZSA-N 292.383 0.521 0 50 CCAA CC(C)(O)CC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 907953070 NITCGISLTBJQMW-QCLAVDOMSA-N 255.314 0.763 0 50 CCAA Cc1nc(CC(=O)N[C@H](CC(C)C)C(=O)O)n[nH]1 863981844 NSAPIQCHCXYQQP-MRVPVSSYSA-N 254.290 0.271 0 50 CCAA CC[C@@H]1CN(C(=O)[C@H](O)c2cnc[nH]2)C[C@@]2(CCOC2)O1 867950623 XLONRFLNZBDCBP-MPKXVKKWSA-N 295.339 0.240 0 50 CCAA C[C@@H]1CCN(C(=O)N=c2cc3n([nH]2)CCN(C)C3=O)C1 1875296900 UJQZJJNBMRSDBI-SECBINFHSA-N 277.328 0.264 0 50 CCAA O=C(Nc1nc(C2CC2)cs1)NC1CS(=O)(=O)C1 1875282940 YSJGNPBPGHBQMY-UHFFFAOYSA-N 287.366 0.939 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N=c2cc[nH]cc2F)C1=O 886088395 SPUGYGKNDCBAHV-GFCCVEGCSA-N 295.314 0.609 0 50 CCAA Cn1cc(C2=NN(c3ccnn3C)C(=O)CC2)cn1 899364499 XTDQLSKOGNNYHJ-UHFFFAOYSA-N 258.285 0.685 0 50 CCAA CC(C)c1nnc2n1CCN(C(=O)[C@H]1CCCN1)C2 261671997 JEOBRUAMOVFPHB-SNVBAGLBSA-N 263.345 0.496 0 50 CCAA Cc1nn(C)c(C(=O)NCCCc2nn[nH]n2)c1Cl 426623153 BWRBTRFVYSFTBY-UHFFFAOYSA-N 283.723 0.258 0 50 CCAA COCCN(CC(=O)O)C(=O)c1c(C)ncnc1C 534640155 VJOCVEFZIQPNRA-UHFFFAOYSA-N 267.285 0.267 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cncn1C 643853947 OMPFCGCPNAQZRH-GFCCVEGCSA-N 267.285 0.126 0 50 CCAA Cc1ccc(O)c(CN2CCN3CCOC[C@@H]3C2)n1 368813372 FZIDCUVNAOBPQV-LBPRGKRZSA-N 263.341 0.612 0 50 CCAA Cc1c[nH]ccc1=NC(=O)[C@@H](CN)C1CCOCC1 864758335 ZDDVEDHKPXGQOV-LBPRGKRZSA-N 263.341 0.752 0 50 CCAA CNC(=O)c1cc(-c2cnn(C)c2)nc2c(C)cnn12 2325895047 SLZJZNCNUQUQKC-UHFFFAOYSA-N 270.296 0.798 0 50 CCAA Cn1cc(I)c(C(=O)O)n1 49157 UQPXGRAYQOWZOD-UHFFFAOYSA-N 252.011 0.723 0 50 CCAA COc1cccc(OC[C@@H](O)CS(=O)(=O)O)c1 3130440 OIJVXSUXLHQOBT-MRVPVSSYSA-N 262.283 0.323 0 50 CCAA Cc1c[nH]cc1C(=O)N[C@@H](CO)CN1CCCCC1 413802160 GSBPNDDWGYQQHH-GFCCVEGCSA-N 265.357 0.900 0 50 CCAA CN(C)S(=O)(=O)CCNC(=O)C[C@H]1C=CCC1 67884815 AGWHOQNSUGRQIX-JTQLQIEISA-N 260.359 0.350 0 50 CCAA CN(CC(=O)O)C[C@@H]1CC(=O)N(C2CCCC2)C1 67880659 XJBWHCBQTXDJJD-JTQLQIEISA-N 254.330 0.794 0 50 CCAA Cc1[nH]ccc1C(=O)NC[C@H]1CN(C)CCN1C 408365036 GHQIOWKDSJLFOV-NSHDSACASA-N 250.346 0.299 0 50 CCAA CN1CCN(C(=O)CCN2CCC(=O)CC23CCC3)CC1 328598531 MRDPWQRHCFUYLX-UHFFFAOYSA-N 293.411 0.738 0 50 CCAA Cn1nnnc1-c1cc(NCCO)nc2[nH]ccc12 72171414 XEPBOYDXABEBCJ-UHFFFAOYSA-N 259.273 0.158 0 50 CCAA C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cc[nH]c(=O)c1 155923352 WJKZUBVQCIFXFV-GXSJLCMTSA-N 266.297 0.299 0 50 CCAA O=c1c2sccc2ncn1CCN1CCNCC1 32553526 KFMRXVSTAJYPPB-UHFFFAOYSA-N 264.354 0.363 0 50 CCAA Cc1noc(CNS(=O)(=O)c2ccc3c(c2)COC3)n1 332167165 PSBDBJQXYWNGIE-UHFFFAOYSA-N 295.320 0.887 0 50 CCAA C=CC(=O)NCCC(=O)N1CCO[C@@H](CCC)C1 490646387 RZIFDZJRPNLICH-NSHDSACASA-N 254.330 0.706 0 50 CCAA Cn1cc(CCNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)cn1 236082953 JDIZCXYKYROQID-WDEREUQCSA-N 265.313 0.580 0 50 CCAA Cc1cccc2nc(CNC(=O)[C@H]3NCCO[C@@H]3C)cn12 262066958 BHRHJWVJDGVPBQ-RISCZKNCSA-N 288.351 0.636 0 50 CCAA Cc1ccc(O[C@H]2CCN(C(=O)CN(C)C)C2)cn1 373126560 WIJSEDGUQSYGPD-ZDUSSCGKSA-N 263.341 0.931 0 50 CCAA CN(CC(=O)O)C(=O)Cc1ccc(N2CCCC2=O)cc1 237144380 JYFASJSBHJJYPT-UHFFFAOYSA-N 290.319 0.899 0 50 CCAA Cc1cc(CC(=O)Nc2nc(C(N)=O)cs2)no1 173065778 LKLBZRAVNKXTIB-UHFFFAOYSA-N 266.282 0.720 0 50 CCAA Cc1ccn2c(C(=O)NCC[C@H]3CCOC3)nnc2n1 426550057 PHOCPGXCTSWFIW-JTQLQIEISA-N 275.312 0.589 0 50 CCAA Cc1ccc(C(=O)NC[C@@H]2COCCN(C)C2)c(=O)n1C 426488424 VZFADMBVKYRZLK-LBPRGKRZSA-N 293.367 0.002 0 50 CCAA Cc1noc(C)c1CN1CCO[C@H](C)[C@H]1C(N)=O 284913079 GRHBZBVBMKXGMG-KOLCDFICSA-N 253.302 0.366 0 50 CCAA Cc1cc(=O)cc(C(=O)N(C)[C@H]2CCN(C)C2)n1C 426685492 ZPHOFPOKVXEUFN-NSHDSACASA-N 263.341 0.470 0 50 CCAA Cc1cccn2cc(C(=O)N[C@@H](C)c3nc(N)n[nH]3)nc12 426477202 KIARGHVETCZZGB-QMMMGPOBSA-N 285.311 0.834 0 50 CCAA Cn1cc([C@@H]2CCN(c3ccc(C(N)=O)nn3)C2)cn1 524793950 RSAPUVGIYLPRKX-SECBINFHSA-N 272.312 0.303 0 50 CCAA Cc1noc2ncnc(N3C[C@H](CO)[C@H](CN(C)C)C3)c12 92047074 BJKKMFQEADXPKN-GHMZBOCLSA-N 291.355 0.533 0 50 CCAA CCCn1cc(C(=O)NCC[C@H](O)C(=O)O)c(C)n1 95518124 ADVFDRZTPVBOCU-JTQLQIEISA-N 269.301 0.167 0 50 CCAA CCc1c(C)nc(N)nc1N[C@@H]1CCS(=O)(=O)C1 95384373 DMRCZDCPVCJMNW-MRVPVSSYSA-N 270.358 0.529 0 50 CCAA CCOC(=O)c1nc[nH]c1C(=O)NCc1cnc(C)cn1 97681835 WNNWRCWSFKCDPT-UHFFFAOYSA-N 289.295 0.615 0 50 CCAA O=C(NCCOCCO)c1cnc(-c2cccnc2)nc1 97679846 RXNKDLLVMCFCNW-UHFFFAOYSA-N 288.307 0.277 0 50 CCAA CC[C@H](C)NS(=O)(=O)c1nnc(NC(C)=O)s1 36182526 UOTZEJYFGBXZFC-YFKPBYRVSA-N 278.359 0.573 0 50 CCAA CCn1nncc1C(=O)N(C(C)C)[C@@H]1CCOC1 294757766 QOOGROLRENAOHT-SNVBAGLBSA-N 252.318 0.938 0 50 CCAA Cc1cnc([C@H](C)NC(=O)CCCn2cnnn2)[nH]1 534631151 GVBCXRITUIGGAR-VIFPVBQESA-N 263.305 0.362 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)[C@H]1CC[C@@H](O)CC1 534661241 YCTLFZWXKGKAKC-XGUBFFRZSA-N 296.411 0.907 0 50 CCAA COCC1(CNC(=O)CN2CCOCC2)CCCC1 456851421 DPBVOBIVGSCBCS-UHFFFAOYSA-N 270.373 0.642 0 50 CCAA Cc1nc(N)[nH]c(=NCCc2ncc[nH]2)c1Cl 584897308 CUOFHXBZCORNTB-UHFFFAOYSA-N 252.709 0.820 0 50 CCAA CNc1ncccc1C(=O)NC[C@H]1COCCN(C)C1 824095202 RNECDQJAAKUFAR-LLVKDONJSA-N 278.356 0.431 0 50 CCAA Cc1nc(N)sc1CC(=O)N[C@H](C)C(C)(C)O 584891547 LNLXQYJPNPFZIC-SSDOTTSWSA-N 257.359 0.852 0 50 CCAA CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnn(C)n1 585136457 HDWRPDFOTOJHAQ-LLVKDONJSA-N 275.312 1.315 0 50 CCAA CCc1ncoc1C(=O)N1CCC[C@H](CC(N)=O)C1 1346883117 NEZXRCIBKBNUBX-SECBINFHSA-N 265.313 0.965 0 50 CCAA C[C@H](NC(=O)c1ccn(C)c(=O)c1)c1nn(C)cc1O 1472237486 SKSZRPWJWPHCRC-QMMMGPOBSA-N 276.296 0.315 0 50 CCAA COCc1ncc(C(=O)N2C[C@@H](C)[C@H](C)C2)c(=N)[nH]1 408305356 JGISSDYSEBVANA-RKDXNWHRSA-N 264.329 0.764 0 50 CCAA C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O 630177742 UKFDAUPQPYPZQQ-WPRPVWTQSA-N 251.286 0.664 0 50 CCAA C[C@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2c[nH]cn2)C1 170608445 GYPWRMKTCVASGZ-WDEREUQCSA-N 286.401 0.808 0 50 CCAA CCN(C)C(=O)[C@H](C)NC(=O)c1ncccc1O 188509913 AMALSHKXRXHFBD-QMMMGPOBSA-N 251.286 0.384 0 50 CCAA CN(C)c1noc(CN2CCC[C@H](Cn3ccnn3)C2)n1 192768155 MHIOIEFTRREKRJ-NSHDSACASA-N 291.359 0.639 0 50 CCAA Cc1cc(C)nc(N2CC[C@@](O)(Cn3ccnn3)C2)n1 671465913 AIYUIEVHSDTWIV-ZDUSSCGKSA-N 274.328 0.326 0 50 CCAA N[C@@H]1C[C@@H]2C[C@H](C(=O)NCc3cncc(O)c3)C[C@H]21 1615549032 UXICUOKEXFCSBM-YRRQLQLVSA-N 261.325 0.777 0 50 CCAA Cc1nn(C)c(N)c1C(=O)N[C@H]1COCC1(C)C 1615622015 ZQAZLEJOLVLUAF-QMMMGPOBSA-N 252.318 0.466 0 50 CCAA CO[C@@H]1COC[C@H]1S(=O)(=O)NCCCc1ccccc1 1616036441 MNUMTXIKPPNIKJ-ZIAGYGMSSA-N 299.392 0.952 0 50 CCAA CC[C@@H]1CN(c2nnnn2CCNC(C)=O)C[C@@H](CC)O1 1616032701 SNBUTSIERALZTG-VXGBXAGGSA-N 296.375 0.203 0 50 CCAA OCCOc1cccc(CN2C[C@H](O)[C@@H](F)C2)c1 1616113381 HAXWGGGNGIPXFB-STQMWFEESA-N 255.289 0.572 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)NCc1cc[nH]n1 1646726753 AIQRDBXCKOTPBS-OAHLLOKOSA-N 286.335 0.835 0 50 CCAA O=C([C@H]1CCCNCC1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1800412397 YOMYJQBEAYLKTK-RVMXOQNASA-N 252.358 0.605 0 50 CCAA CCNC(=O)N1CCC(Nc2nccc(N)n2)CC1 1506400002 SEPSRPHGFRJJKF-UHFFFAOYSA-N 264.333 0.665 0 50 CCAA CN(C)c1ccnc(NC[C@@](C)(O)CCCO)n1 1506395607 BZMWTCYATKFCRW-LBPRGKRZSA-N 254.334 0.478 0 50 CCAA CC(=O)N[C@H](C(=O)NCc1ncc(C)[nH]1)C(C)C 215473810 UAQNLYAPYIXAQF-NSHDSACASA-N 252.318 0.495 0 50 CCAA COC(=O)CNC(=O)c1ccc2sc(=N)[nH]c2c1 1857696157 PMFGYQXEKGWIBQ-UHFFFAOYSA-N 265.294 0.612 0 50 CCAA CNC(=O)CCN(C)C[C@H]1CCC(=O)N(C(C)C)C1 1775983555 NHGJYOJMOWUQMT-GFCCVEGCSA-N 269.389 0.701 0 50 CCAA O=C(CCCC(=O)NC[C@H]1CCCO1)NC[C@@H]1CCCO1 18255759 DVPYZMXIVHCJCH-BETUJISGSA-N 298.383 0.747 0 50 CCAA O=C1c2ccccc2C(=O)N1CCN1CCOCC1 19606935 HZYIEFBIKQXUHA-UHFFFAOYSA-N 260.293 0.615 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)Cn2cc(C)cn2)C[C@@H]1O 1857732769 FUWTTXCHVNIBEK-DZGCQCFKSA-N 295.383 0.564 0 50 CCAA Cc1nc(N2C[C@@H]3CNC(=O)C[C@@H]3C2)nc2c1CCC2 1857705440 IATXNIWDHIPBEU-MNOVXSKESA-N 272.352 0.846 0 50 CCAA CC1CCC(NC(=O)[C@H](C)N2C[C@H](O)[C@@H](O)C2)CC1 408442493 LOAPEUQGLNUJBR-IUCVHNFVSA-N 270.373 0.107 0 50 CCAA COc1ccc(OC)c(CNC(=O)[C@@H]2NC(=O)O[C@H]2C)c1 225575978 KQVFLTGMWJZTLW-QPUJVOFHSA-N 294.307 0.817 0 50 CCAA CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 663220299 HREQTWMDNYGVBB-NSHDSACASA-N 292.387 0.338 0 50 CCAA COc1cc(CN2CC[C@@H](CO)[C@@H](O)C2)cc(OC)c1 1203851840 GZFDHJABTNTHHH-WFASDCNBSA-N 281.352 0.879 0 50 CCAA C[C@@H]1CN(C(=O)C(=O)Nc2cnsn2)C[C@H]1C 839491333 GBVIMVCWGKVDEF-RNFRBKRXSA-N 254.315 0.591 0 50 CCAA Cc1cnc([C@]2(NC(=O)Cn3ccnc3C)CCOC2)[nH]1 818665010 BQENUIJUQWQVBO-AWEZNQCLSA-N 289.339 0.655 0 50 CCAA Cc1nc(CC(=O)N2CC[C@H](C(=O)O)[C@@H](C)C2)n[nH]1 822443815 FFPYUMUOFOOWRF-CBAPKCEASA-N 266.301 0.225 0 50 CCAA Cc1nc(N2CCN(CCc3cncn3C)CC2)n[nH]1 931630121 FTQJJFHLFAUCCW-UHFFFAOYSA-N 275.360 0.211 0 50 CCAA O=S1(=O)CC(CCNc2nccn3nccc23)C1 1875271999 AEHJEKKVSBYZOM-UHFFFAOYSA-N 266.326 0.576 0 50 CCAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1)c1ccncc1 1875300790 QMOBYHMGSAAREJ-IUCAKERBSA-N 252.295 0.770 0 50 CCAA CO[C@@H]1CCC[C@H]1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 888097363 IKGWUDZJCDUEOO-GWOFURMSSA-N 291.369 0.536 0 50 CCAA CON1CCC(CC(=O)N2CC3(CCNC(=O)O3)C2)CC1 888417110 RROCLPAGPULBHK-UHFFFAOYSA-N 297.355 0.361 0 50 CCAA O=C(CCn1cncn1)N1CCC[C@H](c2ccn[nH]2)C1 67757038 HHWALSZIXWGFAL-NSHDSACASA-N 274.328 0.798 0 50 CCAA CC1(C)CC[C@H](CO)N(C[C@@H](O)Cn2cccn2)C1 621377851 HXYCLJIDBUCMBV-CHWSQXEVSA-N 267.373 0.727 0 50 CCAA COc1ccnc(CN2CC[C@@H](CC(N)=O)C2)c1OC 367989828 SEOBABSEGPCDCI-JTQLQIEISA-N 279.340 0.796 0 50 CCAA N[C@@H]1CCC[C@H](C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C1 372122041 SHTLJMBMVLNLMG-DGAVXFQQSA-N 282.384 0.910 0 50 CCAA CCc1nnc(NC(=O)CSc2nc[nH]n2)s1 5912005 DVRVXDFXFLTWBJ-UHFFFAOYSA-N 270.343 0.949 0 50 CCAA CNCc1cccc(NC(=O)c2cn(C)[nH]c2=N)c1 2325849971 HNOZLYXUANLROD-UHFFFAOYSA-N 259.313 0.804 0 50 CCAA CC(C)COC(=O)CSc1nnc(O)[nH]c1=O 47611 IZSCXADKVRWYES-UHFFFAOYSA-N 259.287 0.162 0 50 CCAA CNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 80184 NYLLOBTUGIORSQ-SECBINFHSA-N 256.327 0.587 0 50 CCAA O=S(=O)(Nn1cnnc1)c1cccc2cccnc12 299251 YOVMPXJYWKQYMP-UHFFFAOYSA-N 275.293 0.759 0 50 CCAA O=C(NCC[C@H](O)[C@@H](O)CO)OCc1ccccc1 3136348 YCUQTHBQUKYBJR-RYUDHWBXSA-N 269.297 0.017 0 50 CCAA O=C(O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 8764420 ZHVHYSXUNVLQON-JTQLQIEISA-N 262.265 0.972 0 50 CCAA biogenic COC(=O)CSc1nc2[nH]c(C(C)C)cc(=O)n2n1 100137585 DWGWKLHKKORAAM-UHFFFAOYSA-N 282.325 0.806 0 50 CCAA CN(C[C@@H]1CCCCN1C)C(=O)c1cc[n+]([O-])cc1 20785227 KNNKIIGDCBWDJD-ZDUSSCGKSA-N 263.341 0.876 0 50 CCAA CN1CCN(Cc2ccc3c(c2)nnn3C)C[C@@H]1CCO 20868988 UAUCPBZBIQQNDF-ZDUSSCGKSA-N 289.383 0.467 0 50 CCAA COC(=O)[C@@]12CNC[C@@H]1CN(C(=O)OC(C)(C)C)C2 309835323 IJSXTUMCGDQTGI-NOZJJQNGSA-N 270.329 0.616 0 50 CCAA O=C(CCn1cnnc1)N1CC(c2cccnc2)C1 72141707 KSDZOLXDSJCBAF-UHFFFAOYSA-N 257.297 0.689 0 50 CCAA O=C(Nc1ccc2c(c1)OCO2)N1CC[C@H](CO)[C@@H](O)C1 72172974 QOSDSBQYQSJVFK-KOLCDFICSA-N 294.307 0.622 0 50 CCAA Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@@](O)(C2CC2)C1 366880692 INWWCISHTLTRMP-HNNXBMFYSA-N 291.351 0.593 0 50 CCAA NC(=O)CC[C@H]1CCCN(C(=O)[C@H]2CSCN2)C1 156403584 SUZGMPHWXZKHDN-NXEZZACHSA-N 271.386 0.153 0 50 CCAA CCCN(C(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 171408667 OLUMFIFYQUOQJC-VIFPVBQESA-N 260.359 0.758 0 50 CCAA O=C(C[C@@H]1COCCN1)N1CCNC[C@H]1c1ccccc1 333616840 RENIAIGZPDUPOD-CABCVRRESA-N 289.379 0.538 0 50 CCAA Cc1nn(C)c(C)c1CN(C)Cc1cc2n(n1)CCNC2 72146824 HYNZGRPXBXNOTE-UHFFFAOYSA-N 288.399 0.969 0 50 CCAA Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC[C@@H](N)C1 237725369 DTMYNYFIFMXLQX-CDAZIORVSA-N 268.748 0.955 0 50 CCAA Cc1cc(C)n2nc(C)c(C(=O)NC3CNC3)c2n1 237711886 DMBIYCZMIAUYLX-UHFFFAOYSA-N 259.313 0.356 0 50 CCAA Cn1[nH]c(CN2CCC[C@H](C(F)(F)F)C2)nc1=O 336395961 LAJCXZBDUULMKC-ZETCQYMHSA-N 264.251 0.883 0 50 CCAA CCn1ncc2cc(C(=O)NCCn3cncn3)c(C)nc21 282492996 UZNMEAWNAHNGEA-UHFFFAOYSA-N 299.338 0.781 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1COC(=O)C1 496582746 PKFRMJQVVILCLW-DTWKUNHWSA-N 284.312 0.428 0 50 CCAA CNCc1nnc(SCCO)n1C[C@H]1CCCO1 426503215 DIYMVFVPQNRAFK-SECBINFHSA-N 272.374 0.261 0 50 CCAA CN(CCN(C)C1CCCC1)C(=O)Cn1cccnc1=O 97553219 PLTCPXZZXJSGTD-UHFFFAOYSA-N 292.383 0.576 0 50 CCAA Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@H](C)N(C)C 426668925 ATOUMHVNNSEHFL-LBPRGKRZSA-N 282.388 0.308 0 50 CCAA O=C(NCCNC(=O)[C@@H]1CCCCO1)c1cccnc1 97394364 HEZXZGUXCPSYNW-LBPRGKRZSA-N 277.324 0.497 0 50 CCAA CCCn1cc(C(=O)N2CCN(CCO)CC2)c(C)n1 91664184 GAAWQJPVPREXRM-UHFFFAOYSA-N 280.372 0.352 0 50 CCAA C[C@H]1CN(CCC(=O)N2CCc3[nH]cnc3C2)C[C@@H](C)O1 96141573 NTGOEQJGYMRSER-TXEJJXNPSA-N 292.383 0.794 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3C4C5[C@@]6(CC=CC[C@]516)[C@@H]2[C@@H]43 248066543 WDYAGNOENDYYHH-UIGWMQOMSA-N 269.304 0.286 0 50 CCAA Cn1ncnc1CCNC(=O)COC[C@@H]1CCCCO1 244708322 KRQJNETXZHLERH-NSHDSACASA-N 282.344 0.060 0 50 CCAA CCOCC(=O)NCC[C@@H](C)N1CCN(C)CC1 534577722 HQZHRGZLVIJNSL-GFCCVEGCSA-N 257.378 0.165 0 50 CCAA C[C@@H](OC[C@@H]1CCCO1)C(=O)NC(C)(C)C(=O)O 299746904 BPCOBLFHFUJPEO-BDAKNGLRSA-N 259.302 0.550 0 50 CCAA O=C(Cc1cccnc1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299787639 OPBYCDNWAGFUQT-KBPBESRZSA-N 299.334 0.588 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1cn(CC)nn1 299774552 FFPRJDDMYVWZNK-IUCAKERBSA-N 269.305 0.223 0 50 CCAA O=C(NCCc1cn[nH]c1)[C@H]1CCCCN1C(=O)C1CC1 299758284 NZBLSNIOVAQLDI-CYBMUJFWSA-N 290.367 0.860 0 50 CCAA CO[C@H]1COC[C@@H]1NS(=O)(=O)N1CCCCCC1 824506343 CNRWHLXTDNMONB-QWRGUYRKSA-N 278.374 0.111 0 50 CCAA O=C(CS(=O)(=O)NC[C@@H]1CCCO1)c1ccccc1 725375704 MRRWKDQWSLLFGK-LBPRGKRZSA-N 283.349 0.968 0 50 CCAA COC(=O)CC[C@@H]1NC(=O)[C@@H](c2ccccc2)NC1=O 824146426 AQQYWTXQRJXGDD-CMPLNLGQSA-N 276.292 0.296 0 50 CCAA Cc1cc(CNS(=O)(=O)N2CCN(C)CC2)cnc1C 823791250 LHZZHLZRBOADBF-UHFFFAOYSA-N 298.412 0.280 0 50 CCAA O=C(N[C@@H]1C[C@@H](C(=O)O)C[C@@H]1n1ccnn1)C1CC1 685940442 LXURMLDSXOMVHG-BBBLOLIVSA-N 264.285 0.209 0 50 CCAA CN(C)C(=O)[C@H]1CN(C(=O)CN2CCCCCC2)CCO1 952982993 IALRIAFSERPOAD-CYBMUJFWSA-N 297.399 0.178 0 50 CCAA CN(C)C[C@@]1(CO)CCCN(C[C@@H]2[C@H]3CNC[C@H]32)C1 952970526 DVISDXUNADJHOF-YJNKXOJESA-N 267.417 0.088 0 50 CCAA C[C@]1(O)CCN(C(=O)COc2ccc(F)cc2)C[C@H]1O 1565530202 BOOZHCOIWBSSCP-OCCSQVGLSA-N 283.299 0.549 0 50 CCAA CC[C@H](O)CCNC(=O)Cn1cc(C2CC2)nn1 305085784 UBLLELKSCDBCBW-JTQLQIEISA-N 252.318 0.433 0 50 CCAA NC(=O)C1(NC(=O)Cc2ccncc2)CCCCC1 272389312 UNOAESQUJOICEY-UHFFFAOYSA-N 261.325 0.929 0 50 CCAA CN(C)c1nccc(=NC[C@H](CO)[C@H]2CCOC2)[nH]1 571349490 YFYDIJYFMDEOOU-WDEREUQCSA-N 266.345 0.021 0 50 CCAA O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(O)nc(C2CC2)n1 573106809 XGPLXONAHUIMJL-WCBMZHEXSA-N 275.308 0.726 0 50 CCAA COc1ccc(CCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 574227045 WMDNDCLTFHWYBY-GJZGRUSLSA-N 292.379 0.761 0 50 CCAA C[C@@]1(CNC(=O)C2(N)Cc3ccccc3C2)CCCNC1 669513782 KEHPUQFGUSVMLS-MRXNPFEDSA-N 287.407 0.989 0 50 CCAA O=C(NCCc1ccccn1)C1CN([C@@H]2CCOC2)C1 585121336 MNMWJBRXZKVQQR-CQSZACIVSA-N 275.352 0.461 0 50 CCAA NS(=O)(=O)C[C@@H]1CCCCN1C(=O)OC1CCC1 585135218 QOMSMQHWMQBCIN-VIFPVBQESA-N 276.358 0.819 0 50 CCAA O=C(c1cn[nH]c1)N1CCC[C@@H](N2CCCC2=O)C1 215015631 WFUPCUQVGXSWOE-LLVKDONJSA-N 262.313 0.637 0 50 CCAA O=C1NCCC[C@]12CN(CC1CCC1)CC[C@@H]2O 1857687356 TYUPURDCOLIOPH-GXTWGEPZSA-N 252.358 0.750 0 50 CCAA CCNc1ccnc(N2CCN(CC)C(=O)[C@H]2C)n1 1529192212 RWLXSYLFWTXXCI-SNVBAGLBSA-N 263.345 0.965 0 50 CCAA C[C@H](NS(=O)(=O)[C@H]1CCCOC1)[C@@H]1CCCNC1 252484925 GKMXYMXNKMKPSN-TUAOUCFPSA-N 276.402 0.473 0 50 CCAA O=C(N1CCn2cnnc2C1)C(F)(F)C1(O)CCC1 153020480 VILGNRWTDIHSBM-UHFFFAOYSA-N 272.255 0.171 0 50 CCAA CC[C@@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C1=NNC(=O)CC1 1565516920 GOAVJTKOFGYSPV-MDSNHJATSA-N 265.313 0.182 0 50 CCAA C[C@H]1NC(=O)[C@H]2CN(Cc3ccsc3)CCN2C1=O 14541379 XYMRZIOUVWGHGY-MWLCHTKSSA-N 279.365 0.279 0 50 CCAA c1ccc([SnH2]c2ccccc2)cc1 169816997 KUCPUSUXIGWHFB-UHFFFAOYSA-N 274.939 0.806 0 50 CCAA in-vitro NC(=O)NC[C@@H]1CCCCN1C(=O)CC1CCNCC1 237899206 ZACLDZGERYUDEJ-LBPRGKRZSA-N 282.388 0.426 0 50 CCAA Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1ccncn1 619313982 AFXUHQWCTUBMFV-CMPLNLGQSA-N 287.323 0.718 0 50 CCAA O=C(Nc1cnn2ccccc12)N1C[C@H](O)C[C@@H]1CO 640366800 WKJASJCINOWKOG-NXEZZACHSA-N 276.296 0.294 0 50 CCAA CCN(C)C(=O)CCN1C[C@H](OC)C[C@H]1c1nc[nH]n1 332418070 RBAKKUXVWRGLFK-MNOVXSKESA-N 281.360 0.435 0 50 CCAA Cc1cn(C)nc1Cn1cnc2onc(C)c2c1=O 901571554 COHMOAFBDQKPSO-UHFFFAOYSA-N 259.269 0.783 0 50 CCAA CCC(N)(CC)CNC(=O)[C@]12CNC[C@H]1CCOC2 911858910 XASATSYCPXDRQJ-RISCZKNCSA-N 269.389 0.246 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H](C)C(=O)NC(C)(C)C 858760601 TYNLWSRNYBXFOT-VIFPVBQESA-N 269.345 0.050 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2CCO)CC1 1875365537 UWHJMFOEGWPWQQ-ZDUSSCGKSA-N 280.368 0.784 0 50 CCAA Cc1nn(C)c(Cl)c1CC(=O)N(C)[C@@H]1CCC(=O)NC1 1875316093 UOADARXWQJNVBN-SECBINFHSA-N 298.774 0.661 0 50 CCAA O=C(CC1(O)CCC1)N1CCCC[C@@H]1Cc1nn[nH]n1 1875392487 FJZIJWXVWBYNGO-SNVBAGLBSA-N 279.344 0.428 0 50 CCAA Cc1nc(C)c(C(=O)N2C[C@@H]3COCC[C@]3(C(N)=O)C2)o1 1775956929 ZBIPNGSDRCLAJU-YGRLFVJLSA-N 293.323 0.255 0 50 CCAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccnc2)C1 219470 VZXMVGWKAOZINP-GFCCVEGCSA-N 297.380 0.369 0 50 CCAA CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 2851533 BMJLWVHBRDFPPR-UHFFFAOYSA-N 255.299 0.545 0 50 CCAA Cc1nn(C)c(C)c1NC(=O)Cn1ncsc1=O 135473154 CMGJYHMAOYOANZ-UHFFFAOYSA-N 267.314 0.294 0 50 CCAA O=C(CN1C(=O)c2ccncc2C1=O)Nc1ccccn1 20427490 GDYFPBMNNUZYFF-UHFFFAOYSA-N 282.259 0.711 0 50 CCAA O=C1CCC(C(=O)NCCCC[C@@H]2CCCO2)=NN1 67432403 YWQOVASNJXDHEE-SNVBAGLBSA-N 267.329 0.718 0 50 CCAA Cc1ccccc1CN(CCN(C)C)C[C@H](O)CO 63870489 UJRMOOOGXQRYHB-HNNXBMFYSA-N 266.385 0.712 0 50 CCAA CC(=O)C[C@H]1COCCN1S(=O)(=O)C[C@H]1CCCO1 248373168 GYHIMYQDMBJJPK-NWDGAFQWSA-N 291.369 0.175 0 50 CCAA COc1cc(NC2CCS(=O)(=O)CC2)ncn1 65409676 BAUAEFJBRRONRZ-UHFFFAOYSA-N 257.315 0.474 0 50 CCAA Cn1ccnc(N2CCC[C@@H](N[C@H]3CCSC3)C2)c1=O 328630974 JZNONEUUXXKLMQ-NEPJUHHUSA-N 294.424 0.844 0 50 CCAA O=C(CN1CCOC[C@H](O)C1)NCCc1ccc(F)cc1 77422394 SFGJQVOXFIQIEC-CQSZACIVSA-N 296.342 0.178 0 50 CCAA O=C(O)CC1CCN(C(=O)Cc2ccon2)CC1 257670456 GUZCBMGINQJBCQ-UHFFFAOYSA-N 252.270 0.930 0 50 CCAA Cc1nn(CCO)c(C)c1CN(C)C[C@@H]1COCCO1 215961561 ZDMBHHJFJYBRAS-CYBMUJFWSA-N 283.372 0.339 0 50 CCAA O=C(Cn1cn[nH]c1=O)NCC1(c2ccccc2F)CC1 157970319 JQRYSQWBLLDWFH-UHFFFAOYSA-N 290.298 0.559 0 50 CCAA CN1C[C@H](CN=c2[nH]ccn(C)c2=O)Cc2ccccc21 368719973 UETLZSHUZPWEBP-LBPRGKRZSA-N 284.363 0.923 0 50 CCAA CC[C@H](NC(=O)Cc1cnccn1)c1nc(C)no1 219042799 OWDFULKEPXDBHF-JTQLQIEISA-N 261.285 0.978 0 50 CCAA COc1nc(C)ccc1C(=O)NC[C@H]1COCCO1 330711776 QIWKYVAWUOQIES-JTQLQIEISA-N 266.297 0.544 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1cc(F)cc2[nH]cnc12 262143387 MGGPEXFZADPESN-JTQLQIEISA-N 293.254 0.628 0 50 CCAA O[C@@H]1CN(c2ncccn2)CCN(C2CCSCC2)C1 219633222 CWCLWVFWFMECFS-ZDUSSCGKSA-N 294.424 0.855 0 50 CCAA C[C@]1(C(=O)N[C@H]2CCc3nnnn3CC2)C[C@@H]1F 333367386 DXRNGOFIGJMNRN-LAEOZQHASA-N 253.281 0.242 0 50 CCAA CO[C@]1(C)C[C@H](N(C)C(=O)CN2CCNCC2=O)C1(C)C 237269953 DSHHZFTVFOZMHK-XHDPSFHLSA-N 297.399 0.080 0 50 CCAA Cn1ccnc1SCC(=O)N1CCCNCC1 43402856 SUASBRQJPHYMHW-UHFFFAOYSA-N 254.359 0.334 0 50 CCAA O=C(NC[C@@H]1C[C@H](F)CN1)c1ccnc(-n2cnnc2)c1 82158008 JEVXRPXSXCLKOJ-QWRGUYRKSA-N 290.302 0.092 0 50 CCAA OCCc1nnnn1CCCc1cccc(F)c1 521394525 MIQQVSRWRQAFPW-UHFFFAOYSA-N 250.277 0.980 0 50 CCAA C[C@@H]1CN(C)C[C@H](c2nc(-c3cncn3C)no2)O1 527544431 FBZHKMNRUIFDQN-PSASIEDQSA-N 263.301 0.862 0 50 CCAA COC[C@H]1CN(C(=O)c2cc[nH]n2)CC(C)(C)O1 285680366 ZTWLHQBINUDEJA-SECBINFHSA-N 253.302 0.676 0 50 CCAA CNC(=O)c1ccc(CSc2nnc(CCN)n2C)o1 426555474 IRMUQYVLJQACNE-UHFFFAOYSA-N 295.368 0.561 0 50 CCAA Cc1cc(C)c(C(=O)NCc2cnn3cccnc23)c(=O)[nH]1 91637037 WMGYBWGZLHQFKG-UHFFFAOYSA-N 297.318 0.964 0 50 CCAA CCn1nc(C)c(S(=O)(=O)N2CC[C@H]2C(=O)O)c1C 290947768 LRCLRCKVXSQSBH-VIFPVBQESA-N 287.341 0.367 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 244773729 PFKDRZOLUUCPBO-UBHAPETDSA-N 290.327 0.089 0 50 CCAA COc1ccc(NC2=CC(=O)NC2)cc1-c1nn[nH]n1 524732352 SCLKQABDJWXPLA-UHFFFAOYSA-N 272.268 0.301 0 50 CCAA O=C(NC[C@H]1CC[C@@H](CO)O1)c1ccc2oc(=O)[nH]c2c1 294648906 QQEVVMSKEPVYJE-ZJUUUORDSA-N 292.291 0.391 0 50 CCAA COC(=O)c1ccccc1OCCn1nnnc1C 181022589 NETYJVDBFMLLSQ-UHFFFAOYSA-N 262.269 0.847 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1cc(C)n2nc(C)cc2n1 534578148 HFAYMHCZNFCTSG-RYUDHWBXSA-N 289.339 0.063 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1csc(C2CC2)n1 299749126 JJJIGNZSZBEFPA-SECBINFHSA-N 282.321 0.946 0 50 CCAA C[C@H](C(=O)NCCCc1nccs1)N1CCN(C)CC1 264145080 OZGNOJWDNZNBKC-GFCCVEGCSA-N 296.440 0.828 0 50 CCAA O=S1(=O)c2ccc(Cl)nc2N[C@H]2CCN1C2 261507218 GNBUBEZHUOBLQY-LURJTMIESA-N 259.718 0.924 0 50 CCAA COCc1noc(CNC(=O)C[C@@H](C)n2ccnc2)n1 299778638 SFZINFWPMJSVDW-SECBINFHSA-N 279.300 0.680 0 50 CCAA Cc1nncn1CCN1CCC[C@](C)(C(=O)O)C1 828454973 PVNXMWPBNUPGNU-LBPRGKRZSA-N 252.318 0.773 0 50 CCAA CNC(=O)c1ccc(Cn2cnc3cccnc3c2=O)o1 584890068 MLZPNZFQOAJRJG-UHFFFAOYSA-N 284.275 0.792 0 50 CCAA Cn1[nH]c(C2CCN(C(=O)OCCF)CC2)nc1=N 585134737 IDUSPVFELRWJMD-UHFFFAOYSA-N 271.296 0.513 0 50 CCAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1)c1cnc[nH]1 1074581484 LTGUGSLMKCQCGU-GHYVTOPFSA-N 290.367 0.781 0 50 CCAA Nc1nccc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1 1339610563 RAISFWUQFAKWJB-UWVGGRQHSA-N 250.302 0.443 0 50 CCAA Cc1n[nH]cc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 239425756 VFEPIDIOIQLIGC-DOLQZWNJSA-N 265.269 0.535 0 50 CCAA O=C(NC[C@]1(O)CCNC1)c1cnc2ccccc2n1 240971711 UBQDATHEQITDAZ-AWEZNQCLSA-N 272.308 0.084 0 50 CCAA Cc1cc(COCC(=O)N2[C@H](C(=O)O)[C@H]3CC[C@@H]2C3)no1 1574133500 DGLADSJGDJAPGI-NDMJEZRESA-N 294.307 0.964 0 50 CCAA C[C@H](O)CN1CCN(S(=O)(=O)C2(C)CC2)C[C@@H]1C 408461117 TYXREEKHHHIFJZ-QWRGUYRKSA-N 276.402 0.256 0 50 CCAA CCc1cc(NC(=O)[C@@H]2C[C@H](OC)CN2C)n[nH]1 671468981 RWROBFDCHCQRMX-UWVGGRQHSA-N 252.318 0.630 0 50 CCAA CC(C)(C(=O)NCC1(C(N)=O)CCCC1)N1CCOCC1 170617949 NDXNKSMYWBCZQR-UHFFFAOYSA-N 297.399 0.259 0 50 CCAA C[C@@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)CCN1 572641097 PPLNTEAPNZPDBV-SFYZADRCSA-N 251.286 0.249 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2cnn(C)c2)CC1 188656528 CBASNWLCICLPFJ-OCCSQVGLSA-N 292.383 0.884 0 50 CCAA Cc1cc(C)nc(N[C@@H]2C[C@H](C(=O)O)C[C@H]2O)n1 662895658 FLKXUIBCAZBUSO-IVZWLZJFSA-N 251.286 0.729 0 50 CCAA CN1CC[C@H](Nc2cccc([C@H]3CNC(=O)C3)c2)C1=O 676410815 HDZLSDWSQVFYMC-YPMHNXCESA-N 273.336 0.933 0 50 CCAA Cc1nn(C(C)C)cc1CN1CCO[C@H]2CNC[C@H]21 886040564 SENQJUMFZFFCGD-KGLIPLIRSA-N 264.373 0.945 0 50 CCAA Cn1ccnc1C(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 1506399803 QGRZBLLLUCKKOY-RYUDHWBXSA-N 278.356 0.091 0 50 CCAA CNC(=O)[C@@H](NC(=O)CCc1cn[nH]c1)c1ccccc1 1506420761 QVQKLXXMRLEWLL-AWEZNQCLSA-N 286.335 0.946 0 50 CCAA CO[C@H](C)c1nnc(NC(=O)CN2CCCC2=O)s1 1529186392 YFQKRPRXBBJOIS-SSDOTTSWSA-N 284.341 0.806 0 50 CCAA Cc1ccc(/C=C/C(=O)Nc2cc(=O)n(C)c(=O)n2C)o1 474171 ISGFWZFWXJRSSK-VOTSOKGWSA-N 289.291 0.637 0 50 CCAA CCOC(C)(C)C(=O)N1C[C@@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1704278361 VMZQJECAVANAKY-DGCLKSJQSA-N 295.383 0.895 0 50 CCAA O=C(CN1C[C@@H]2CNC[C@]2(CO)C1)NC1CCCCCC1 1772811316 SXJFBTUBBHAERF-XJKSGUPXSA-N 295.427 0.339 0 50 CCAA COCCCNc1nc2nonc2nc1N(C)CCOC 12429799 YZSRZIUIHBMTMT-UHFFFAOYSA-N 296.331 0.544 0 50 CCAA Cc1ncc(N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)nc1C 1857692823 WCFOSBIXNUPASJ-IUODEOHRSA-N 290.367 0.561 0 50 CCAA COC(=O)[C@@H]1CCc2nnc(C(=O)NC(C)C)n2CC1 601044094 NIXOEBSOFXENJW-SECBINFHSA-N 280.328 0.542 0 50 CCAA COc1ccccc1OCC(=O)NC[C@@]1(O)CCOC1 229691100 PZVRHHLYFAWBRQ-AWEZNQCLSA-N 281.308 0.342 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cnc(C)[nH]1 644060060 KTCIJNUWMUTAJV-ZDUSSCGKSA-N 280.328 0.085 0 50 CCAA O=C(CN[C@H]1CCNC12CCC2)Nc1ccccn1 903472586 SOXDWQYAQIXYLX-NSHDSACASA-N 260.341 0.894 0 50 CCAA CCn1ncc(C(=O)N(C)Cc2cnn(C)c2C)n1 816528555 HWFCRCCMHYFPLF-UHFFFAOYSA-N 262.317 0.612 0 50 CCAA NC1CCN(C[C@@H](O)COc2ccccc2)CC1 864096850 KCYFPFUKZMRSBP-CYBMUJFWSA-N 250.342 0.849 0 50 CCAA O=C(N[C@@H]1C[C@H]2C[C@@H](C(=O)O)C[C@H]21)[C@H]1Cc2nccn2C1 1875304522 MJRGZJZUCAMXHX-RMPHRYRLSA-N 289.335 0.671 0 50 CCAA C=Cn1cc(CN2CCC3(CC2)C[C@H](O)CNC3=O)cn1 897041754 LTVXQSIHBNHGSQ-ZDUSSCGKSA-N 290.367 0.447 0 50 CCAA CC[C@H](C(=O)O)N1CCN([C@H](C)c2nc(C)no2)CC1 191432432 VPPLRLPOUKGFBM-MWLCHTKSSA-N 282.344 0.920 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)[C@@H]1CO 408076383 IAUSLCKWQGBPOB-GIPNMCIBSA-N 278.356 0.529 0 50 CCAA CN(C)C1(CNC(=O)[C@@H]2C=CCN2)CCCCC1 827690925 NQBFCRJHMAMYKW-LBPRGKRZSA-N 251.374 0.895 0 50 CCAA O=C1NCCc2sc(=NC[C@H]3CCCC[C@@H]3O)[nH]c21 2325789319 JVHLSZMPQJBMHO-BDAKNGLRSA-N 281.381 0.814 0 50 CCAA C[C@H]1OCC[C@H]1S(=O)(=O)NCc1ccccc1C(=O)O 864500558 BRVIPJDSBPOOOO-BXKDBHETSA-N 299.348 0.982 0 50 CCAA Cc1cccc(C)c1OC[C@@H](O)CN(C)S(=O)(=O)O 2472028 PFHPZGZMRSEQLT-NSHDSACASA-N 289.353 0.778 0 50 CCAA CC(C)(C)OC(=O)N1[C@@H]2C[C@H](O)[C@H](C2)[C@H]1C(=O)O 101328745 SDTKFYMBKIVOOR-JBDRJPRFSA-N 257.286 0.830 0 50 CCAA COC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CO 225630021 YBCCPGSVGYODMU-VHSXEESVSA-N 258.318 0.352 0 50 CCAA Cc1nc(C)c(C)c(N2CCC[C@@](O)(C(N)=O)C2)n1 344289830 PRFLVPNGSUHLIB-ZDUSSCGKSA-N 264.329 0.218 0 50 CCAA OCc1nnn(C[C@@H](O)c2ccc(Cl)cc2)c1CO 409444165 LIDZANIRMGFNNI-GFCCVEGCSA-N 283.715 0.650 0 50 CCAA O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccccc1F 20723102 XARDFSYOEVKVKJ-VIFPVBQESA-N 275.243 0.939 0 50 CCAA O=C(C[C@@H]1CNCCO1)N(C[C@@H]1CCCN1)C1CC1 328642936 RFHLHXDOQOHCFQ-WCQYABFASA-N 267.373 0.108 0 50 CCAA Cc1nc(C(=O)NCCN2CCOC2=O)cs1 65464968 PDPZJFQQLIVANN-UHFFFAOYSA-N 255.299 0.634 0 50 CCAA Cc1nc2c(c(N(C)C[C@H]3COCCO3)n1)CCNCC2 63883117 ZJZXTHCGFTZMLH-LBPRGKRZSA-N 292.383 0.325 0 50 CCAA COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1 49141 VLYWMPOKSSWJAL-UHFFFAOYSA-N 280.309 0.868 0 50 CCAA biogenic,in-man CC(=O)N1CCOC[C@@H]1C(=O)N1CCCSCC1 155017595 BLPGQMKNKRYPNV-LLVKDONJSA-N 272.370 0.199 0 50 CCAA Cn1ncc2c(=O)[nH]c(CNC(=O)OC(C)(C)C)nc21 35287472 QRVYYVROVBNMMN-UHFFFAOYSA-N 279.300 0.681 0 50 CCAA Cc1nc(S(=O)(=O)N2CCC[C@@H]2CCO)cn1C 332716809 QEXHDFMFGOFBLA-SNVBAGLBSA-N 273.358 0.264 0 50 CCAA OC[C@@]1(F)CCCN(c2ccnc(N3CCOCC3)n2)C1 376184830 PDOYODZSDCDYDR-CQSZACIVSA-N 296.346 0.614 0 50 CCAA CC[C@H](NC(=O)COCCOC)c1ccnn1C 222702229 NDTIRSBSVUGMBN-JTQLQIEISA-N 255.318 0.650 0 50 CCAA CCc1nnc(CNC(=O)COC[C@H]2CCCCO2)o1 220074872 WPQQZFPYCSMRJJ-SNVBAGLBSA-N 283.328 0.834 0 50 CCAA O=C1CN(C(=O)Cn2ccc3ccc(F)cc32)CCN1 40287763 XKKZGJBOYQPWRD-UHFFFAOYSA-N 275.283 0.739 0 50 CCAA Cn1cnnc1CC1CCN(C(=O)[C@@H]2CCCO2)CC1 82107326 VQBUGBVILQSZRS-LBPRGKRZSA-N 278.356 0.775 0 50 CCAA O=C(CCCN1CCCCCC1)N[C@H](CO)C(=O)O 426632831 CWSLIVTUCGFOQB-LLVKDONJSA-N 272.345 0.204 0 50 CCAA Cc1nc(C)c(CC(=O)N[C@@H]2C=CS(=O)(=O)C2)s1 97463487 ADGYMBWDQMQFJH-SECBINFHSA-N 286.378 0.729 0 50 CCAA Cn1cnnc1CCNC(=O)c1ccc2nccn2c1 244633068 FVVDRAOGHIQFEI-UHFFFAOYSA-N 270.296 0.435 0 50 CCAA CNC(=O)[C@@H]1CN(c2ccncc2Cl)CCO1 181152783 ZCOBTHRRXCGPEY-JTQLQIEISA-N 255.705 0.686 0 50 CCAA COc1nc(NCCN2CCC(CO)CC2)ncc1F 534586729 KMEPWMAELMYEMG-UHFFFAOYSA-N 284.335 0.741 0 50 CCAA COC(=O)CCCNC(=O)c1cnc2cnn(C)c2c1 1940197311 HEUDFTLTMNUBLG-UHFFFAOYSA-N 276.296 0.651 0 50 CCAA Cc1noc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 299787206 VORZYKWXBPXKFM-QWRGUYRKSA-N 276.300 0.315 0 50 CCAA CCC(=O)N1CCC(NC(=O)c2cn(C)cn2)CC1 299786300 SIOMREMUWIOTCZ-UHFFFAOYSA-N 264.329 0.551 0 50 CCAA O=C(NCCN1CCCC[C@H]1CO)c1cncc(O)c1 828710808 HTOIDEKKRWLMPZ-LBPRGKRZSA-N 279.340 0.364 0 50 CCAA CCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)O)[nH]1 823508779 QKMUPXYZXVXQIB-ZYHUDNBSSA-N 296.323 0.566 0 50 CCAA Cc1cc(C(=O)NCCN2CCC[C@H](CO)C2)c(O)cn1 584896991 NTVNSNKKLROZSS-LBPRGKRZSA-N 293.367 0.530 0 50 CCAA CS(=O)(=O)Nc1ccc([C@H]2NCCC[C@@H]2N)cc1 757209143 FYRAFTAWQKHEOS-NWDGAFQWSA-N 269.370 0.810 0 50 CCAA O=C(NCc1noc2c1COCC2)OC1COC1 1334724843 NBJAGHOCDUXHFS-UHFFFAOYSA-N 254.242 0.372 0 50 CCAA CN1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 952974777 QQZOTLOQWVESCX-STQMWFEESA-N 292.335 0.598 0 50 CCAA O=C(c1ccc(-n2ccnc2)cc1)N1CCO[C@@H](CO)C1 269117949 GLPYRIOXCAVNMN-CQSZACIVSA-N 287.319 0.706 0 50 CCAA CC(C)(CN1CCOCC1)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 408472177 UNBHUZWVPGWVJO-FRRDWIJNSA-N 282.384 0.781 0 50 CCAA COCc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2)cc1 277714469 WTXGVMGOXKNGIV-QWHCGFSZSA-N 264.325 0.172 0 50 CCAA Cc1ncc(C(=O)N[C@@]2(CCO)CCOC2)c(C)n1 278174074 SEVSAOHABNAKSR-ZDUSSCGKSA-N 265.313 0.365 0 50 CCAA CC1(C)C[C@H](O)CCN(C(=O)C2CN([C@@H]3CCOC3)C2)C1 585131777 FZPZPDKEEBNESV-ZIAGYGMSSA-N 296.411 0.717 0 50 CCAA COCCN(CC(C)C)c1nc(=O)c2cn[nH]c2[nH]1 195575573 PTKCVRWBRZAAOW-UHFFFAOYSA-N 265.317 0.755 0 50 CCAA O=C(Cn1cc([C@H]2CCCNC2)nn1)N1CCCC1 95384653 ARQJNUYYJILAKI-NSHDSACASA-N 263.345 0.368 0 50 CCAA O=C1NCC2(CN(C(=O)c3cc(F)cc(Cl)c3)C2)N1 1857686984 LXMATAMRVRRZCA-UHFFFAOYSA-N 283.690 0.987 0 50 CCAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 407961336 DHYHBOFPGMQRMC-WYFGTUCQSA-N 275.370 0.493 0 50 CCAA COc1ncccc1CN1C[C@H]2COC[C@@H](C1)C(=O)N2C 1704315611 MDONZQRUMYITLY-OLZOCXBDSA-N 291.351 0.379 0 50 CCAA Cn1cnnc1SCC(=O)N1CC[C@@H]2NCCC[C@@H]2C1 1857678970 OJWYOIYJCXRKBO-MNOVXSKESA-N 295.412 0.508 0 50 CCAA C[C@@H]1CN2C[C@H](NC(=O)c3cscn3)C[C@H]2CO1 1857718389 HKEXFWCHUKPYTG-BBBLOLIVSA-N 267.354 0.735 0 50 CCAA CCn1nccc1S(=O)(=O)N1CC[C@H](N)C[C@@H]1C 571460762 ZENYLMCPDSLQNR-UWVGGRQHSA-N 272.374 0.403 0 50 CCAA COc1ccc(CN2C[C@@H]3COC[C@H](C2)N(C)C3)cn1 1772704830 PTVDSZKGJXXMJQ-KGLIPLIRSA-N 277.368 0.853 0 50 CCAA CC(=O)c1cnc(NC[C@@H](O)CN(C)C)nc1C 1772703869 QQLLDJDEKQLWIL-SNVBAGLBSA-N 252.318 0.322 0 50 CCAA COC(=O)c1ccc(C(=O)OCc2nc(O)n[nH]2)cc1F 774971249 JNZHDQWSCYFPRL-UHFFFAOYSA-N 295.226 0.793 0 50 CCAA Cc1ccc(NC(=O)[C@H](N)C2CCOCC2)c(O)n1 423753578 DNQGTKGQOBNINW-LLVKDONJSA-N 265.313 0.788 0 50 CCAA C[C@H]1C[C@H](CN2CCN(c3cnn(C)c3)C(=O)C2)CCO1 408145704 ULHUVUSHPMGLRN-QWHCGFSZSA-N 292.383 0.884 0 50 CCAA CN[C@H](C)c1cn(CC(=O)N2CCOC[C@H]2C2CC2)nn1 641156268 PGTAWBQSGMXIJH-MFKMUULPSA-N 293.371 0.196 0 50 CCAA CC(C)OCCC(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 818526097 XOSUACWLGPBNOY-MCIONIFRSA-N 284.400 0.905 0 50 CCAA CN(C(=O)CN1CCNC(=O)CC1(C)C)c1nccs1 931203632 VXLJEYIKMIIUEI-UHFFFAOYSA-N 296.396 0.706 0 50 CCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccoc1Cl)C2 952850416 MFNJKMAQWRYSHB-OQPBUACISA-N 298.726 0.897 0 50 CCAA COCc1nn(C)cc1C(=O)NCc1nccnc1C 1875313127 XJJBHAQANMROLG-UHFFFAOYSA-N 275.312 0.595 0 50 CCAA NC(=O)C[C@@H]1CN(C(=O)c2cc3n(c2)CCCC3)C[C@H]1O 1875402983 OGASZIFLWOWPMI-ZWNOBZJWSA-N 291.351 0.133 0 50 CCAA Cc1cc(=NC(=O)C(=O)N2CCS[C@H](C)C2)cc[nH]1 888097556 QUKCTOKZESQSLV-SNVBAGLBSA-N 279.365 0.714 0 50 CCAA CC[C@@H](N)CNC(=O)NC[C@H]1Cc2ccccc2CN1 892143868 GRAJJWHYYOYMHO-ZIAGYGMSSA-N 276.384 0.737 0 50 CCAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C(=O)C(C)C 1775957328 NUIBSGLACODNTM-UWVGGRQHSA-N 282.344 0.948 0 50 CCAA O[C@@H](COc1ccc2c(c1)OCO2)CN1CCOCC1 19790658 LDZNOWMXOFBXNJ-LLVKDONJSA-N 281.308 0.487 0 50 CCAA Cc1cc(C(=O)NC2(C(=O)O)CCOCC2)nc(C)n1 426414733 RZWWDYGWAYEIDA-UHFFFAOYSA-N 279.296 0.457 0 50 CCAA COC(=O)CCNC(=O)c1cccc2ncn(C)c12 358344560 KMQWGLIXHMQEBT-UHFFFAOYSA-N 261.281 0.866 0 50 CCAA O=C(CCc1cccnc1)N1CCC(N2CC(O)C2)CC1 2100555589 YANRKDBCASNHEF-UHFFFAOYSA-N 289.379 0.682 0 50 CCAA O=C(c1ccc(-n2nnnc2O)cc1)N1CC=C(F)C1 2325821413 MUWGEKNOXXIUPY-UHFFFAOYSA-N 275.243 0.677 0 50 CCAA Cn1cc(N)cc1C(=O)NCc1nc(-c2ccccn2)no1 2325868605 COFDXIIWQLJZPK-UHFFFAOYSA-N 298.306 0.982 0 50 CCAA COc1ccc(NC(=O)[C@H]2CC(=O)N=C(N)S2)cc1 169804 LJXNRTUHRINMSV-SECBINFHSA-N 279.321 0.981 0 50 CCAA CN1CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)O)CC1 339417 YSXCAKJMKCEGPG-QWRGUYRKSA-N 252.314 0.427 0 50 CCAA COC(=O)[C@H]1C[C@@H](OC)CCN1CCN1CCCC1=O 222190541 GHMFAZBYMHKLBW-NWDGAFQWSA-N 284.356 0.261 0 50 CCAA CC(C)(C)OC(=O)N1CCC(O)(c2nnn[nH]2)CC1 170617896 GSJRJFZEJOORJQ-UHFFFAOYSA-N 269.305 0.418 0 50 CCAA Cc1cc(C[C@@H](C)NC(=O)Cn2nccc2C)[nH]n1 67673313 SXXXHKQPVVJPRN-SECBINFHSA-N 261.329 0.970 0 50 CCAA Cc1nc(CCN)cc(NCCCN2CCOCC2)n1 67723548 CDXFMYOWSXDJIR-UHFFFAOYSA-N 279.388 0.420 0 50 CCAA COC(=O)c1cc(CN2CC[C@@](N)(C(=O)O)C2)ccc1O 67714692 PYTHIHMXTOZLMB-AWEZNQCLSA-N 294.307 0.167 0 50 CCAA CC1(C)CNC(=O)c2nc(-c3nnc4n3CCC4)[nH]c2C1 65429670 MMEVNIWTOQBEFH-UHFFFAOYSA-N 286.339 0.927 0 50 CCAA N=C(O)[C@@]1(O)CCCN(C(=O)N2CCSCC2)C1 328586814 IAFDYPLNMKSUJU-LLVKDONJSA-N 273.358 0.517 0 50 CCAA COCC[C@@H]1COCCN1C(=O)C1=CCCCO1 366002507 FDLVSYGCKNFGEE-LLVKDONJSA-N 255.314 0.945 0 50 CCAA C[C@@H]1CNCCN1C(=O)Cc1ccc2c(c1)OCCO2 124439380 ZJSUAQHNGPKEPX-LLVKDONJSA-N 276.336 0.821 0 50 CCAA CN(CC(=N)O)C[C@@H]1CN(Cc2cncn2C)CCO1 330403219 LQISJPYKOYREKR-GFCCVEGCSA-N 281.360 0.088 0 50 CCAA CN1C(=O)CC[C@H]1C(=O)NCC1(O)Cc2ccccc2C1 376653357 BXAFHBOJUCGLHJ-ZDUSSCGKSA-N 288.347 0.253 0 50 CCAA COc1ccnc(N2CCN(CC3CCNCC3)CC2)n1 262291211 WDOFDFCXOJNZIG-UHFFFAOYSA-N 291.399 0.607 0 50 CCAA O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1C[C@]12CCNC2 262305827 CEXSHTSUOQJFTP-VYDXJSESSA-N 285.391 0.989 0 50 CCAA Cn1cc(C(=O)N2CCN(c3ccncc3)CC2)ccc1=O 78913508 XQUQYBKZLWUPAS-UHFFFAOYSA-N 298.346 0.743 0 50 CCAA CCN(CC)OCCS(=O)(=O)CCON(CC)CC 45069024 TYDNZRDUKAPJGW-UHFFFAOYSA-N 296.433 0.948 0 50 CCAA C[C@H](CNC(=O)CCn1cncn1)Oc1cccnc1 221442103 CQFLAIHVOLTENW-LLVKDONJSA-N 275.312 0.647 0 50 CCAA O=C(CCOc1ccccc1)NC[C@H]1COCCO1 48808814 IAWBITMGWGGKSH-ZDUSSCGKSA-N 265.309 0.987 0 50 CCAA Cn1cncc1CC(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 527027336 OVYYGEJKXMOSQK-HNNXBMFYSA-N 293.367 0.759 0 50 CCAA COCCc1noc(CNC(=O)[C@@H](C)n2ccnc2C)n1 426404258 OXAFWORHUWLZKU-SECBINFHSA-N 293.327 0.641 0 50 CCAA CCc1nsc(N(C)C[C@@H](C)c2nnn[nH]2)n1 132925725 AQWZLYIWECYLBK-ZCFIWIBFSA-N 253.335 0.854 0 50 CCAA CCn1c(C)ccc(C(=O)N[C@@H]2COCC[C@H]2OC)c1=O 426623149 AQLZBTBRUYSHLR-CHWSQXEVSA-N 294.351 0.710 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCCNc1ncccc1C 223104444 HWMZGWJPEGVCJQ-JTQLQIEISA-N 280.328 0.663 0 50 CCAA Cc1cc([C@H]2CCCN2C(=O)CN2C(=O)CNC2=O)on1 95389021 NFHTXKZZAXQWNQ-SECBINFHSA-N 292.295 0.198 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 91782241 XAEBMMAGCWIUBS-ZDUSSCGKSA-N 267.329 0.661 0 50 CCAA COc1cc(F)ccc1[C@H](C(=O)O)N(C)CCO 95387492 RBFWHUXPQRJNIE-LLVKDONJSA-N 257.261 0.884 0 50 CCAA COCC(=O)N1CCC[C@H](C(=O)NCCn2cccc2)C1 95378343 PAXJMHLXZSLXNP-ZDUSSCGKSA-N 293.367 0.489 0 50 CCAA COCc1noc(CNC(=O)COc2cccnc2)n1 244601974 DVJMJZIKQKYNPJ-UHFFFAOYSA-N 278.268 0.306 0 50 CCAA CC(C)c1cc(C(=O)N2CCOC[C@H]2C(=O)O)n(C)n1 299750785 OJULZKYQZWAWBW-NSHDSACASA-N 281.312 0.469 0 50 CCAA CC(C)n1ccnc1CNC(=O)N1CCC[C@@H]1C(N)=O 534673152 LJRYXBPRGANJNJ-SNVBAGLBSA-N 279.344 0.623 0 50 CCAA O=C(NCc1ccsc1)[C@H]1NCCc2nc[nH]c21 534666128 BIDUTIBKDAJYTB-NSHDSACASA-N 262.338 0.974 0 50 CCAA O=C(C[C@@H]1CC1(F)F)NCC1(CO)CCOCC1 534673136 PTIUPDPZFQGROV-SECBINFHSA-N 263.284 0.937 0 50 CCAA COCCN1CCN(c2nccc(C)n2)CC1=O 271054645 ANTYDEGXAAMRLL-UHFFFAOYSA-N 250.302 0.080 0 50 CCAA Cc1n[nH]nc1C(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C 299755783 CUOPKHOMSTXIPX-JTQLQIEISA-N 279.344 0.442 0 50 CCAA C[C@@H](NC(=O)CN1CCOCC1)c1cn2ccsc2n1 299773403 AEFXIMQSJFTYCC-SNVBAGLBSA-N 294.380 0.905 0 50 CCAA CN(C)C[C@]1(CO)CCCN(C(=O)c2cn(C)cn2)C1 299793122 KBVRLGIDTXMOAZ-CQSZACIVSA-N 280.372 0.196 0 50 CCAA CN(Cc1cnc2ccccn12)C(=O)C[C@@H]1CNCCO1 299781233 DKOBSRGHIMUWKN-CYBMUJFWSA-N 288.351 0.671 0 50 CCAA CN1CCCN(CC(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 584885005 TZOXLMSFNXIRML-ZDUSSCGKSA-N 291.399 0.021 0 50 CCAA O=c1c2nccnc2ncn1CCN1CCCC[C@H]1CO 584894972 NIWHBRKAMYJJEB-NSHDSACASA-N 289.339 0.033 0 50 CCAA CN(C)[C@H]1CCN(C(=O)Cc2ccc(CO)cc2)C[C@@H]1O 670452167 MUVJCSMSBSXHFY-GJZGRUSLSA-N 292.379 0.245 0 50 CCAA O=C(c1cc[nH]c1)N1CCC(Cc2nn[nH]n2)CC1 1520530895 JYLIXUCHVIEHDR-UHFFFAOYSA-N 260.301 0.623 0 50 CCAA CCCN1CCN(C(=O)[C@H]2CCCCCN2C)CC1=O 952872615 SCMCJXXDHVFUJX-CYBMUJFWSA-N 281.400 0.942 0 50 CCAA CC(C)c1cc(C(=O)NCCc2ncc[nH]2)nc(N)n1 952986150 DYKMLLVUPGLZSR-UHFFFAOYSA-N 274.328 0.878 0 50 CCAA CC[C@@H]1C[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 408403453 BPEFHPJARCBQAJ-PSASIEDQSA-N 281.399 0.282 0 50 CCAA COCc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)ccc1F 408513463 RKRQVWWXSSLFNI-GFCCVEGCSA-N 297.282 0.898 0 50 CCAA Cc1ncc(C(=O)N2C[C@H]3[C@@H](N)CC[C@H]3C2)c(C)n1 186924173 YDBACHGWTLHNPC-UHTWSYAYSA-N 260.341 0.903 0 50 CCAA C[C@@H](C(=O)c1c[nH]c2ncccc12)N1C[C@H](O)[C@H](O)C1 278693806 JIWLSUHATXYAER-KPXOXKRLSA-N 275.308 0.172 0 50 CCAA CC[C@H]1CN(C[C@@H]2CCc3ncnn32)CCN1CCOC 639478803 RPPDCIUNPQXPFQ-KBPBESRZSA-N 293.415 0.808 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cocn1 643765300 RDMXLXWMVHGLLE-LBPRGKRZSA-N 253.302 0.402 0 50 CCAA COCCN1CCN(C(=O)c2c(C)noc2C)CC1 194612936 XHXPCKSCTDFYSQ-UHFFFAOYSA-N 267.329 0.696 0 50 CCAA CCn1nccc1C(=O)N1CCCC[C@@H]1C(N)=O 681276397 PKYZAONUAXLIFL-SECBINFHSA-N 250.302 0.383 0 50 CCAA Cn1nc(CNC(=O)[C@]23CC[C@H]2CNC3)cc1C1CC1 1615547155 OKSUMBXPGCACFS-NHYWBVRUSA-N 274.368 0.913 0 50 CCAA Cc1cnc(C(=O)N2C[C@H](Cc3ccccn3)[C@@H](O)C2)cn1 1615738852 ZZVCFDGTHHRREC-WFASDCNBSA-N 298.346 0.856 0 50 CCAA O=C(c1scc2c1OCCO2)N1CC[C@H](O)[C@H](CO)C1 1647260735 LEMZRVATOKZXIQ-IUCAKERBSA-N 299.348 0.335 0 50 CCAA CCN(CC)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 174587 IYLSXMAGTPTPEE-UHFFFAOYSA-N 285.369 0.614 0 50 CCAA CC(C)S(=O)(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529172882 JTFLKGYPCKKWHN-CHWSQXEVSA-N 284.381 0.967 0 50 CCAA CCc1cc(N2CC[C@H](CO)[C@H](O)C2)nc(N(C)C)n1 1857739776 RTUVAZKBJBWTKZ-ZYHUDNBSSA-N 280.372 0.285 0 50 CCAA O=C(c1cnc(O)cn1)N1CC(N2CCCCC2)C1 222285787 BUFUJXFNAOIXIH-UHFFFAOYSA-N 262.313 0.493 0 50 CCAA Nc1nc(SCC(=O)NC2CCCCC2)n[nH]1 6607147 FHQWLDJASGFNDA-UHFFFAOYSA-N 255.347 0.928 0 50 CCAA Nc1nc(O)c2nc(C[C@H](O)c3ccccc3)c(O)nc2n1 1616030874 GUEDXJBDSSQTBB-VIFPVBQESA-N 299.290 0.689 0 50 CCAA COC[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)CC(C)(C)O1 343758770 UPHWTLRDKRPZLB-LBPRGKRZSA-N 284.356 0.117 0 50 CCAA CC(=O)c1cc2c(cc1O)O[C@H]([C@](C)(O)CO)C2 248381165 SHYHWQIISKJNHX-QWHCGFSZSA-N 252.266 0.642 0 50 CCAA biogenic CC[C@H](C)C(=O)NCC1(OCCO)CCOCC1 252480193 BXTIAIXYUNNECD-NSHDSACASA-N 259.346 0.707 0 50 CCAA CCc1nccn1CCC(=O)N1CCOC[C@H](C(=O)O)C1 1775982516 WNBHPYINLMOQPR-LLVKDONJSA-N 295.339 0.395 0 50 CCAA O=C(CN1CCOCC1)NC[C@@H]1COc2ccccc2O1 19782536 NVLDOSSLYVAJCV-GFCCVEGCSA-N 292.335 0.275 0 50 CCAA CO[C@@H]1CC[C@H](C(=O)NCCc2ccccn2)C[C@H]1N 1857717113 MKIUKWATDXPVKW-IACUBPJLSA-N 277.368 0.883 0 50 CCAA CN(CCN(C)C1CC1)C(=O)[C@H]1CCCS(=O)(=O)C1 328592829 FNXVAKDNFXMQFL-NSHDSACASA-N 288.413 0.364 0 50 CCAA CCN1CCN(C(=O)c2cnn(C)c2)C[C@@H]1c1ncc[nH]1 328622555 ILWIUOOEIFCLQU-GFCCVEGCSA-N 288.355 0.662 0 50 CCAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)Cn2cccn2)n1 331693621 ZKKHPKVGDONQEV-SKDRFNHKSA-N 291.311 0.563 0 50 CCAA O=C(c1ncncc1Cl)N1CCOC[C@@H]1c1nc[nH]n1 375324931 WVDLIJSJWDOEDB-MRVPVSSYSA-N 294.702 0.462 0 50 CCAA Cn1nc(C(F)(F)F)cc1CNC(=O)c1ncnn1C 902969511 GINPVRVXQYIEID-UHFFFAOYSA-N 288.233 0.497 0 50 CCAA Cn1nc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc1O 863981715 LBITXPGFLGCYIS-MIMYLULJSA-N 293.323 0.984 0 50 CCAA COC(OC)[C@@H](C)NC(=O)NCc1ccccc1CO 864095349 GLCKFRFGVYBLFW-SNVBAGLBSA-N 282.340 0.986 0 50 CCAA C=CC(=O)NCCC(=O)N1CCc2ccc(OC)nc21 1875367180 WQZHDRPOKBWXMP-UHFFFAOYSA-N 275.308 0.672 0 50 CCAA C[C@H](CNC(=O)/C=C/CN(C)C)NC(=O)c1cccnc1 1875378423 CTBZAFQSHGJJKG-HOSRBBHYSA-N 290.367 0.434 0 50 CCAA N[C@H](C(=O)Nc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CCOC1 1875358820 KVSWWWQOCRVPHE-PWSUYJOCSA-N 287.323 0.774 0 50 CCAA C[C@@H]1[C@@H](O)CN1C(=O)CCc1nc(-c2ccoc2)no1 1875318383 IDYSVDAFAJFMJL-SCZZXKLOSA-N 277.280 0.854 0 50 CCAA Cn1cc(Cl)c(C(=O)N2CC3CC2(C(N)=O)C3)n1 888100564 YCKKFUUAQXKHHI-UHFFFAOYSA-N 268.704 0.163 0 50 CCAA CN1C(=O)CCC[C@@H]1C(=O)NCc1cn(C)cn1 890100398 VOFIXYHBBZOGAV-SNVBAGLBSA-N 250.302 0.047 0 50 CCAA OC1(c2cc[nH]n2)CN(c2ncc(Br)cn2)C1 1775991147 HTXVUTIWEIMCQX-UHFFFAOYSA-N 296.128 0.670 0 50 CCAA O=C(O)CCC(=O)N1CCC[C@@H](CN2CCOCC2)C1 426615433 JTPZEQCFVBZTFS-LBPRGKRZSA-N 284.356 0.422 0 50 CCAA CCc1nc(CN2CCC[C@]2(COC)C(=O)O)no1 643879538 VGQBZVSTYGBSIA-LBPRGKRZSA-N 269.301 0.698 0 50 CCAA CC[C@](C)(CNS(=O)(=O)c1ccn(C)n1)C(=O)O 864091514 ZLCKXLDIRDVYMF-SNVBAGLBSA-N 275.330 0.199 0 50 CCAA CC1=C(C(N)=O)[C@@H](c2cccnc2)N2NN=NC2=N1 71553 IUHWXGKWGJVSKS-SECBINFHSA-N 257.257 0.439 0 50 CCAA Cc1nn(Cc2nn[nH]n2)c(C)c1Br 125980 NXOGTMZLOAQULZ-UHFFFAOYSA-N 257.095 0.824 0 50 CCAA COc1ccc(N([C@@H](C)C(N)=O)S(C)(=O)=O)cc1 379673 VFBQGOUQPCACJK-QMMMGPOBSA-N 272.326 0.335 0 50 CCAA Cc1noc(C)c1CN1CCO[C@H](c2nnnn2C)C1 2356163760 QBCLDGJELYMARU-NSHDSACASA-N 278.316 0.388 0 50 CCAA CO[C@H](C)CC(=O)NS(=O)(=O)c1ccc(Cl)cn1 112158660 CHWSJHHBISEEAL-SSDOTTSWSA-N 292.744 0.965 0 50 CCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc2c(c1)OCO2 67855238 ICHLJPIOGVKSAD-VIFPVBQESA-N 281.289 0.456 0 50 CCAA Cc1noc([C@H](C)NS(=O)(=O)N2CCCC2)n1 408083033 SJTBZRUBORFMDO-ZETCQYMHSA-N 260.319 0.369 0 50 CCAA O=C(Nc1nncs1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 170624113 DTBVBKURAWEEKE-DKXJUACHSA-N 265.294 1.000 0 50 CCAA CC(C)[C@H](NC(=O)CS(C)(=O)=O)c1ccccn1 67770919 NMJGFQBKWKIQFF-LBPRGKRZSA-N 270.354 0.940 0 50 CCAA O=C(Nn1cnnc1)[C@@H]1CCCN(Cc2ccco2)C1 67726609 PSQFPOCJESUNTE-LLVKDONJSA-N 275.312 0.853 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CCCOc2ccccc2)CCN1 71749694 VEMYRKVJKNEGRG-ZDUSSCGKSA-N 292.335 0.731 0 50 CCAA CC[C@H](C(N)=O)N1CCC[C@H]1[C@@H]1CCCN1C(C)=O 257365330 LNAPRRBTQWBTNU-AGIUHOORSA-N 267.373 0.726 0 50 CCAA CCOc1ncccc1CNC(=O)[C@@H]1C[C@H](OC)CN1C 330543041 SUFFGOAUZMKGOK-STQMWFEESA-N 293.367 0.816 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)NCc1nc(N(C)C)no1 330770430 BHDGJXHVFFOXIK-IUCAKERBSA-N 268.317 0.567 0 50 CCAA C[C@H](C(=O)N[C@@H]1CCCC[C@H]1O)N1CCSCC1 187058616 JTDXAMVKJQVQOI-IJLUTSLNSA-N 272.414 0.843 0 50 CCAA O[C@]1(CNCCCn2nnc3ccccc32)CCNC1 77340165 JKPLKKFRASBNDZ-AWEZNQCLSA-N 275.356 0.135 0 50 CCAA CCC(=O)N1CCN(C(=O)c2ccn(C)c(=O)c2)C1 333316937 SZJWZDKOEFXYDC-UHFFFAOYSA-N 263.297 0.037 0 50 CCAA COCc1ccccc1S(=O)(=O)NCC(=O)O 262352224 BFZSCBWAOLHHMO-UHFFFAOYSA-N 259.283 0.196 0 50 CCAA CS(=O)(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 213416328 QNSNIWQIVJPNNJ-SECBINFHSA-N 260.359 0.327 0 50 CCAA O=C(NCc1noc(-c2ccco2)n1)c1cnn[nH]1 49465605 RMDOCEHHFQMIBT-UHFFFAOYSA-N 260.213 0.378 0 50 CCAA COCC1(C(=O)N2CCC[C@@H](CC(N)=O)C2)CCOCC1 378035625 HNVPHTJEPSAKFQ-LBPRGKRZSA-N 298.383 0.544 0 50 CCAA CC(C)C(=O)NCCNc1cc(C2CC(N)C2)nc(N)n1 223612628 PBMYLGBJACKVRF-UHFFFAOYSA-N 292.387 0.448 0 50 CCAA CO[C@@H]1CN(S(=O)(=O)CCN2CCCC2)CC[C@H]1C 241316699 LUDVPGKCSVBMFU-CHWSQXEVSA-N 290.429 0.769 0 50 CCAA C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@@]2(CCOC2)O1 527276000 QJAWFYQJGJOUBM-BXUZGUMPSA-N 279.340 0.369 0 50 CCAA CC[C@@H]1C[C@@H](NC(=O)c2cnc(C(=O)O)cn2)CCO1 263224192 PQSAHPCSWQNHBU-DTWKUNHWSA-N 279.296 0.862 0 50 CCAA CCNC(=O)[C@@H](C)Sc1nnc(CNC)n1C 426387899 QANSGCRLMZOCRU-SSDOTTSWSA-N 257.363 0.151 0 50 CCAA Cc1ncn(CCNC(=O)[C@H]2CCS(=O)(=O)C2)c1C 426371931 CNDQZQGOFGSLNY-NSHDSACASA-N 285.369 0.051 0 50 CCAA CCn1nc(C(C)C)cc1C(=O)N1C[C@H](O)CO1 92020032 SDOHINZJRGHENC-VIFPVBQESA-N 253.302 0.775 0 50 CCAA COCCNC(=O)N1CCN(C(C)C)C[C@@H](C(=O)O)C1 97805635 VQYBKQNNMRSTRR-LLVKDONJSA-N 287.360 0.069 0 50 CCAA Cc1cc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)no1 95371385 LVDJBZGDLKPEBP-NSHDSACASA-N 294.355 0.009 0 50 CCAA CNCCCCNC(=O)c1cc(=O)nc2sccn12 97679983 KUTHECQFLLTLOP-UHFFFAOYSA-N 280.353 0.485 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@H]4[C@H]2[C@@]2(F)[C@@H]1[C@H]2[C@@H]43 254669502 SIQCAIIBAJDPFO-FXTOROOHSA-N 297.289 0.740 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)CCOC1CCOCC1 299740867 BUVBOUKQQJDVNG-LLVKDONJSA-N 271.313 0.648 0 50 CCAA COCc1noc(CNC(=O)C[C@H](C)n2cccn2)n1 534585920 KQXXLXYKJTWNNB-VIFPVBQESA-N 279.300 0.680 0 50 CCAA Cc1ccoc1C(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1 534641397 GPISWFIFOWTHEA-STQMWFEESA-N 293.367 0.333 0 50 CCAA COCCCn1cnnc1CNC(=O)[C@@H]1CCCNCC1 534658951 OGTWHHZDYLZSMC-GFCCVEGCSA-N 295.387 0.321 0 50 CCAA O[C@@]12CCOC[C@@H]1CN(Cc1c[nH]cn1)[C@H]1CCOC[C@H]12 299776922 FPJNDSCKHQNMIF-ATGSNQNLSA-N 293.367 0.398 0 50 CCAA O=C(CCCn1ccnc1)N1CCc2c(O)ncnc2C1 299777884 ODCYPVMGTRQUPE-UHFFFAOYSA-N 287.323 0.744 0 50 CCAA CCCn1ccnc1CNC(=O)CN1CCC[C@@H](O)C1 823031055 ZVVGVQCOEGIMTK-GFCCVEGCSA-N 280.372 0.366 0 50 CCAA COc1cccc2ncn(C[C@H](O)CN(C)C)c(=O)c12 584903736 QXNCDBSKKFABLZ-SNVBAGLBSA-N 277.324 0.328 0 50 CCAA COc1ccnc(N2CCN(Cc3cnc(C)[nH]3)CC2)n1 670452975 FDURKIOQDXDFOD-UHFFFAOYSA-N 288.355 0.839 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)c2cscn2)C1 670451056 CIOCYPHZIBFXEP-JTQLQIEISA-N 269.370 0.793 0 50 CCAA CO[C@H]1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)C1 240499907 NOOGEUSVMZXVAS-LBPRGKRZSA-N 277.324 0.445 0 50 CCAA CC1=C(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)OCCO1 952991266 MMCSMZZWZVANIO-LBPRGKRZSA-N 290.319 0.478 0 50 CCAA O=C(CN1C[C@H]2CCN[C@H]2C1)NCc1ccccc1 1565511013 RJCIISMRZDUGDF-KGLIPLIRSA-N 259.353 0.597 0 50 CCAA COc1ccccc1CN1CCN(C(=O)[C@@H](C)N)CC1 167421157 DRKJVQWUBRPXKR-GFCCVEGCSA-N 277.368 0.687 0 50 CCAA O=C(CCc1cn[nH]c1)NCCN1CCCCC1 96138079 LMMQPTMRVJVJBN-UHFFFAOYSA-N 250.346 0.944 0 50 CCAA CCOCCCC(=O)N1CCC[C@H](NC(=O)NC)C1 1616038207 XWRRPSCVNIBIPA-NSHDSACASA-N 271.361 0.723 0 50 CCAA CN1CCC[C@@H](C(=O)NCCc2nc(C(=O)O)cs2)C1 220410653 XEZVXBXCKHONOE-SECBINFHSA-N 297.380 0.842 0 50 CCAA CC(=O)N1CCC(N2C[C@H]3C[C@@H](O)C[C@H]3C2)CC1 1800411163 HCXITJVNVMPSDE-DABQJJPHSA-N 252.358 0.700 0 50 CCAA O=C(CNC1(CO)CCOCC1)N1CCCCCC1 225253925 REMCVQQUSIOKLY-UHFFFAOYSA-N 270.373 0.520 0 50 CCAA CCc1ncc(C(=O)N(CCO)Cc2ncc[nH]2)cn1 1704312775 ADDANTYOLQADRC-UHFFFAOYSA-N 275.312 0.397 0 50 CCAA CC1=NN(C(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 5147952 XNFMSJHZWKQIMI-UHFFFAOYSA-N 290.327 0.038 0 50 CCAA CC(=O)NCC(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 12313747 PKJDHBWJJICJTN-GFCCVEGCSA-N 295.383 0.562 0 50 CCAA COc1ccc(S(=O)(=O)NC(C)C)cc1C(N)=O 12382655 GQYZDACJMCPVSP-UHFFFAOYSA-N 272.326 0.481 0 50 CCAA O=C(COCC1CC1)N[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1O 1857527010 HLOORIRMJSBGMF-RDBSUJKOSA-N 293.367 0.565 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)c2cccc(O)n2)CC[C@H]1O 1857734891 XDAKSNNBXBNGHE-DOMZBBRYSA-N 294.351 0.773 0 50 CCAA Cn1c(O)nc2cc(C(=O)N3CC[C@H](CN)C3)ccc21 408519264 PBTNBFSHLBUMAC-SECBINFHSA-N 274.324 0.700 0 50 CCAA O=C1C[C@@H](C(=O)NCc2ccc(C(=O)O)cc2)CCN1 238093627 PDADBDLRLSUATM-NSHDSACASA-N 276.292 0.527 0 50 CCAA COc1cc(C)nc(N2CC[C@@](O)(Cn3ccnn3)C2)n1 671466379 LZPQKQWQQKZQAS-ZDUSSCGKSA-N 290.327 0.027 0 50 CCAA COC(=O)CCNC(=O)c1cn2c(n1)CC[C@H](C)C2 585140592 HKZLFQYBMKUHMY-VIFPVBQESA-N 265.313 0.758 0 50 CCAA COCCn1nnnc1NC(=O)c1sc(C)nc1C 906301258 UGXJHMOQWJOTQB-UHFFFAOYSA-N 282.329 0.645 0 50 CCAA CCn1cc(S(=O)(=O)N[C@@H]2CN(C)CC2(C)C)cn1 952992467 FMIXBGLLKQBSHL-LLVKDONJSA-N 286.401 0.522 0 50 CCAA Cn1c(CO)nnc1[C@H]1CCCN(c2cc(N)cnn2)C1 1875331466 ISFAWUHNRCRUPC-VIFPVBQESA-N 289.343 0.064 0 50 CCAA C[C@H](O)CN1CCN(C[C@@H]2CCCCO2)C[C@H]1C 247386845 WQPRGTKYPMNWOW-RDBSUJKOSA-N 256.390 0.942 0 50 CCAA CCc1nnc(CN(CC)[C@H]2CCS(=O)(=O)C2)o1 77407304 DQUJJPDRBIHVCR-VIFPVBQESA-N 273.358 0.641 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1CC(=O)NC1CCCC1 643879981 DPFKMEHZEINVCY-CQSZACIVSA-N 284.356 0.611 0 50 CCAA Cc1ccnc(CN2C[C@@H](CO)OC(C)(C)C2)n1 336783369 IXNWJHBVSHTLST-NSHDSACASA-N 251.330 0.757 0 50 CCAA Cc1nc(CCC(=O)N2C[C@H]3COC[C@@]3(CO)C2)cs1 2356167768 BFRSSGFUHUBAGT-FZMZJTMJSA-N 296.392 0.851 0 50 CCAA CCS(=O)(=O)N1C[C@@H](C)N(S(=O)(=O)CC)C[C@@H]1C 4904768 QUOOCZODADXQSU-AOOOYVTPSA-N 298.430 0.080 0 50 CCAA CCC1(CO)CCN(C(=O)C2(C(=O)NC)CC2)CC1 134621190 KCSKSQNUPCMQDV-UHFFFAOYSA-N 268.357 0.524 0 50 CCAA CC(C)(C)[C@@H](O)C[C@@H](CO)NS(=O)(=O)C1CC1 252489107 JFLLYLNFFSLKTR-WPRPVWTQSA-N 265.375 0.226 0 50 CCAA CNC(=O)C1CN(C(=O)c2cccnc2OCC(C)C)C1 186202281 GROXPMXODFKIJF-UHFFFAOYSA-N 291.351 0.934 0 50 CCAA C[C@H]1CN(Cc2ccccc2CNC(=O)CN)C[C@H](C)O1 237684490 UTXRFQHXSRULKT-STQMWFEESA-N 291.395 0.871 0 50 CCAA Cc1nonc1CC(=O)NCc1nnc2ccccn12 220638470 NKCLBDVAXZASAN-UHFFFAOYSA-N 272.268 0.280 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(c2ncc(Br)cn2)C1 284620028 SWUYTDKDDRUGHT-DTWKUNHWSA-N 288.145 0.825 0 50 CCAA O=C(C[C@H]1CCOC1)NCCCn1ccccc1=O 426425214 JWWNFRJHJPORCP-GFCCVEGCSA-N 264.325 0.781 0 50 CCAA NC(=O)[C@@]1(O)CCCN(C(=O)CCc2ccc(F)cc2)C1 285432016 IJHFMRSITVGHSH-OAHLLOKOSA-N 294.326 0.597 0 50 CCAA Cc1cc(O)nc(CCNC(=O)[C@]2(C)CCCO2)n1 426632829 CSCYNVNQLBXXKQ-ZDUSSCGKSA-N 265.313 0.718 0 50 CCAA NC(=O)[C@H]1CCCN1C(=O)NCCc1ccncc1 426519305 SAALZIQJCAEYFZ-LLVKDONJSA-N 262.313 0.283 0 50 CCAA Cc1c(C(=O)N2CCOCC(F)(F)C2)nnn1C 288920595 LQOGFDGIFRBLQK-UHFFFAOYSA-N 260.244 0.231 0 50 CCAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc2c(c1)OCCO2 96165989 SITJUIIPMIEUSB-SNVBAGLBSA-N 295.316 0.498 0 50 CCAA O=C(O)CCn1cc(CN2CCN(CC3CC3)CC2)cn1 97179321 NFEVHUIQJNKCMK-UHFFFAOYSA-N 292.383 0.885 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cc2cnccn2)C[C@H]1C1CC1 91781054 WBLUOOVFJCJEEI-NWDGAFQWSA-N 275.308 0.588 0 50 CCAA O=C(O)[C@@H]1CCCCN1C(=O)CCc1cnccn1 426472635 FCWCQWIUAKCWIF-NSHDSACASA-N 263.297 0.875 0 50 CCAA NC(=O)[C@H]1CCCN(CCNc2cc(C3CC3)ncn2)C1 91445018 LNVBVVHKHOBGIZ-LBPRGKRZSA-N 289.383 0.963 0 50 CCAA COCC[C@]1(C(=O)O)CCCN(C(=O)c2ccn[nH]2)C1 91644699 JHECWTPJVKOORD-CYBMUJFWSA-N 281.312 0.753 0 50 CCAA NC(=O)C[C@@H]1CCCCN1Cc1cnn(CCC(=O)O)c1 97732796 DENUCNGJOCZPBC-LBPRGKRZSA-N 294.355 0.588 0 50 CCAA Cc1cccc(=O)n1CCC(=O)NC[C@@H]1CCCO1 97547755 CGLPUHLMUCUKHA-LBPRGKRZSA-N 264.325 0.842 0 50 CCAA CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC(=O)O)C1 236978724 MRKBBJMRFRSCRT-ZJUUUORDSA-N 270.329 0.472 0 50 CCAA CC[C@@H](C(=O)N1CCC([C@@H](C)N)CC1)N1CCCC1=O 178826570 OTRXKAPSOWZXIQ-YPMHNXCESA-N 281.400 0.973 0 50 CCAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)[nH]n1 91694993 PQWUPTHDBGNVGM-VHSXEESVSA-N 263.297 0.901 0 50 CCAA CN(C)CCN(C)[C@H](C(=O)O)c1ccc(N)nc1 95379815 QBSLJCPAEZUEOV-NSHDSACASA-N 252.318 0.283 0 50 CCAA C[C@H]1CN(C[C@@H]2CCCN2C(=O)CN)C[C@@H](C)O1 237675582 TVYMJWJLOMJTJP-TUAOUCFPSA-N 255.362 0.045 0 50 CCAA O=C(N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1)c1cc[nH]c1 244874621 XEMICWMQFLFOHI-MGPQQGTHSA-N 277.368 0.884 0 50 CCAA CCCCNC(=O)CN(C)Cc1nc2ncccn2n1 244795677 RLPGVEPGDHDUKI-UHFFFAOYSA-N 276.344 0.472 0 50 CCAA Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)nn1C(C)(C)C 299750471 NNHWKUSOKJOMID-LLVKDONJSA-N 295.339 0.872 0 50 CCAA CC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)O)C2 299771018 QYDNRJASLXXQCY-YFKPBYRVSA-N 254.267 0.931 0 50 CCAA COCCCn1cnnc1CN[C@@H]1CCCOC1 824396854 DQGBIXILLDLURD-LLVKDONJSA-N 254.334 0.583 0 50 CCAA O=C(NCCN1CCC[C@H](CO)C1)C1CC=CC1 828711103 DNSFLKYVVNGJRI-LBPRGKRZSA-N 252.358 0.773 0 50 CCAA CSCCN1CCN(C(=O)C2(CO)CC2)CC1 584903016 KYSIMZMZCOBVCU-UHFFFAOYSA-N 258.387 0.266 0 50 CCAA CCOCC1CCN(C(=O)CN2CC[C@H](N(C)C)C2)CC1 584902590 PYNRSQQCGISEPB-HNNXBMFYSA-N 297.443 0.897 0 50 CCAA COC(=O)[C@@H]1CC12CCN(c1cc(N)ncn1)CC2 1339579784 WZTQLDVOQUHEIQ-VIFPVBQESA-N 262.313 0.838 0 50 CCAA C[C@@H](NC(=O)Cn1cc(C(C)(C)O)nn1)c1ccco1 132643131 OZWNQCHVDFSEDM-SECBINFHSA-N 278.312 0.976 0 50 CCAA CCc1nccn1CCC(=O)N1CCC[C@H]1C(=O)O 952972485 GZJRBXXECJOVEF-JTQLQIEISA-N 265.313 0.911 0 50 CCAA NCC[C@H]1CN(C(=O)/C=C/c2cc(CO)cs2)CCO1 952868124 ZDAUKLPACDHGHM-ISUDXETCSA-N 296.392 0.830 0 50 CCAA Cc1nc[nH]c1C(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1 1550374596 OZXRAVQPVIVEDK-ZJUUUORDSA-N 263.297 0.901 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)Cc2c(C)nn(C)c2C)C1 630251751 ZKKOBBSDRJCMEB-CQSZACIVSA-N 295.339 0.282 0 50 CCAA C[C@@H]1C[C@H](CN2CCC(S(N)(=O)=O)CC2)CCO1 408358608 GXEUFFIUJIMYRR-GHMZBOCLSA-N 276.402 0.554 0 50 CCAA Cc1cc(C(=O)N2CCC(=O)N(C)CC2)ns1 585113747 BQWVBEMBTVWFNS-UHFFFAOYSA-N 253.327 0.756 0 50 CCAA COc1c(C(=O)N[C@@H](C)c2ccon2)cnn1C 1615621970 PLCNUVHFXVFWHY-ZETCQYMHSA-N 250.258 0.908 0 50 CCAA CN1N=C(C(=O)N2CCC[C@H]2C2(O)CC2)CCC1=O 1772808918 FULKECGUMLJIEV-JTQLQIEISA-N 265.313 0.111 0 50 CCAA C[C@H](CN(C)CCc1nccn1C)N1CCOCC1 1506413039 GPAMBWKNWZHQGG-CYBMUJFWSA-N 266.389 0.615 0 50 CCAA O=C1NC[C@@H](C(=O)NCc2cccc(F)c2Cl)N1 1857691680 WIVGWPMBHNVDJH-QMMMGPOBSA-N 271.679 0.777 0 50 CCAA O=S(=O)(NCC1(CO)CCOCC1)c1cccnc1 129411979 JPKXULLHASERGQ-UHFFFAOYSA-N 286.353 0.149 0 50 CCAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1CCNCC1 1704350262 YDPGQEQCJCQIBK-HUUCEWRRSA-N 289.379 0.755 0 50 CCAA CCn1cc(C(=O)N2CC[C@@](C)(C(=O)O)C2)cn1 237232884 GOLCEHJKWJIVHS-GFCCVEGCSA-N 251.286 0.840 0 50 CCAA O=C(NC1CCOCC1)c1ccnc(C(=O)O)c1 136976573 FKKCGHPTXFCJKT-UHFFFAOYSA-N 250.254 0.689 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)NCc1nncn1C(C)C 264716123 BBCXEDZLRSFGRX-VHSXEESVSA-N 252.318 0.900 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CCOC[C@H](C(=O)O)C2)o1 1775977704 KKXMLQKXJGABSZ-SECBINFHSA-N 281.264 0.121 0 50 CCAA COC(=O)CSC(=S)N(C)[C@H]1CCS(=O)(=O)C1 5126448 JKVCVLAWPOFERI-ZETCQYMHSA-N 297.423 0.296 0 50 CCAA Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)nn1 390805310 ZFKJKWYARVXWHZ-SSDOTTSWSA-N 256.262 0.466 0 50 CCAA COC(=O)[C@@H]1CN(c2ncnc3ccc(C)nc23)CCO1 1857728146 PFGZLOIIXVHYBE-NSHDSACASA-N 288.307 0.711 0 50 CCAA C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)[C@@H]1C 246666751 YFMCGEAADRXSHU-WYUUTHIRSA-N 283.372 0.849 0 50 CCAA CCS(=O)(=O)NCCCNc1ncnc2[nH]ccc12 263782737 LXNKSCBNDXAKDW-UHFFFAOYSA-N 283.357 0.699 0 50 CCAA CN1CCC(NCc2cn(C[C@@H]3CCCOC3)nn2)CC1 900531929 CTQVLYKZFIMDLZ-ZDUSSCGKSA-N 293.415 0.889 0 50 CCAA Cc1nn(C)c(C)c1CN1C[C@@H]2COC[C@H](C1)N(C)C2 1704332613 TYJJHBXGYXWHOL-KGLIPLIRSA-N 278.400 0.799 0 50 CCAA CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2[nH]ccc2n1 906490667 LWWBJZKCUWRIML-LBPRGKRZSA-N 272.308 0.914 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)NCCc1ccncc1 818733547 JVXNYXISTKLSSO-CYBMUJFWSA-N 291.351 0.114 0 50 CCAA CO[C@@H]1COC[C@@H]1NC(=O)Cc1ccn(C(C)C)n1 822501663 NQNJAXUGYNITDE-NWDGAFQWSA-N 267.329 0.537 0 50 CCAA NC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)cc1 925058839 YZXISFWROYHBCH-TVYUQYBPSA-N 274.320 0.771 0 50 CCAA CC1=C(C)C[C@@](C)(C(=O)N[C@@H](CO)C(N)=O)CC1 935925317 BEXLEKLBKNCPLL-GWCFXTLKSA-N 254.330 0.475 0 50 CCAA CN1CCn2ncc(CNC(=O)[C@@H]3CC3(C)C)c2C1 952888724 LZCFVUXQOKOAQN-NSHDSACASA-N 262.357 0.991 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCOC3COC3)n[nH]c21 1875396568 NDGPJSMWMYTNEE-BDAKNGLRSA-N 295.339 0.577 0 50 CCAA Cc1ccnc(N2CCN([C@]3(C(=O)O)CCOC3)CC2)n1 886094960 IUCJTUNZRZCUHH-CQSZACIVSA-N 292.339 0.151 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@@H]2C[C@H]1C[S@]2=O 1772983851 DAPGLXOMCVSUSZ-MMXNHZJYSA-N 293.348 0.405 0 50 CCAA CCN1CC[C@H](N(C)Cc2cnn3c2CNCC3)C1=O 1775958225 LHQNYNHQYBSXRM-LBPRGKRZSA-N 277.372 0.039 0 50 CCAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@@H]1CCNC1 269146960 HHHHQRPAEAFQPP-LLVKDONJSA-N 296.392 0.832 0 50 CCAA COC(=O)[C@H](C)N(C)c1ncnc2oc(C)nc12 55357837 BMSBHCXRUNORLH-LURJTMIESA-N 250.258 0.924 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1cnn(C)c1 643849363 ZKFNFZUNMUBAGJ-LBPRGKRZSA-N 267.285 0.126 0 50 CCAA C[C@@H](C(=O)NCc1cc(=O)c(O)co1)N1CCCCC1=O 2325774500 PPQQOETUJCBRGM-VIFPVBQESA-N 294.307 0.363 0 50 CCAA O=C1C[C@@H](CNC(=O)c2n[nH]cc2-c2ccncc2)CCN1 2325798218 XPZBGRGSZQYTCM-JTQLQIEISA-N 299.334 0.728 0 50 CCAA COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 321191 AENFSNKXDAZGCB-UHFFFAOYSA-N 285.321 0.494 0 50 CCAA CC(C)CNC(=O)C1CCN(S(C)(=O)=O)CC1 467451 WUCAHQMMLQMFOY-UHFFFAOYSA-N 262.375 0.430 0 50 CCAA O=C1C[C@H](C(=O)c2ccccc2)NC(N2CCOCC2)=N1 537347 YWIOGFILGCKFLV-GFCCVEGCSA-N 287.319 0.446 0 50 CCAA C[C@H]1C(=O)N2CCC[C@@H]2c2nnc(-c3cnccn3)n21 2356145883 LZIRLIDIIFFYSX-WCBMZHEXSA-N 270.296 0.973 0 50 CCAA O=C1C[C@@H](Sc2ccccc2C(=O)O)C(=O)N1 2995569 DGTHQWTWIDOTRD-MRVPVSSYSA-N 251.263 0.892 0 50 CCAA COc1cccc(OC)c1OCCOCCNCCO 2981125 XTKVSDVIJUVXOA-UHFFFAOYSA-N 285.340 0.681 0 50 CCAA CN1CCC[C@@H]2CN(S(=O)(=O)C3CC3)CC[C@H]21 247123757 RGRJWADPSXMMPV-ZYHUDNBSSA-N 258.387 0.895 0 50 CCAA C[C@H](C(=O)O)N(C)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 247452036 ZSAZRTUBCICENF-QYNIQEEDSA-N 296.245 0.375 0 50 CCAA CCN1CCC[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 67855075 ABXCDZZWBYYGQX-LLVKDONJSA-N 263.341 0.837 0 50 CCAA CCn1c(C2CCNCC2)nn(Cc2ncccn2)c1=O 65451492 MLXFXTOGTLAFGX-UHFFFAOYSA-N 288.355 0.370 0 50 CCAA Cc1cc(C)n(CCCC(=O)N2CCN[C@H](C(=O)O)C2)n1 71750996 LFTYRCDUAXXKAO-LBPRGKRZSA-N 294.355 0.165 0 50 CCAA C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328625049 KIOFUGJNPBBWOU-SRVKXCTJSA-N 278.356 0.650 0 50 CCAA CN1CCO[C@H](CN(CC(=N)O)C(=O)[C@@H]2C[C@@H]2C2CC2)C1 328626270 DZANNEDMUJNOBW-YNEHKIRRSA-N 295.383 0.727 0 50 CCAA CCOC(=O)N1CCN(C(=O)Nc2cnn(C)c2)CC1 76073696 NTBKNINGJYUMTC-UHFFFAOYSA-N 281.316 0.726 0 50 CCAA COc1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)nn1 156781591 GJGNJXZTKPUALU-JTQLQIEISA-N 291.229 0.625 0 50 CCAA CC[C@H](NC(=O)c1n[nH]c(N)c1Cl)c1ncnn1C 219338388 IWJQLMXSYUKTCH-YFKPBYRVSA-N 283.723 0.655 0 50 CCAA O=C(O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 159664310 MLQAFRLDONXVNN-UWVGGRQHSA-N 261.343 0.913 0 50 CCAA Cc1ccc(CC(=O)N2C[C@H](F)C[C@H]2C(N)=O)cn1 287161375 ZNQQJOYZRBBIDC-MNOVXSKESA-N 265.288 0.357 0 50 CCAA Nc1cc(CN2CCC[C@](O)(Cn3ccnn3)C2)ccn1 284558955 MCJCEEAAUCTACG-CQSZACIVSA-N 288.355 0.282 0 50 CCAA Cc1nc([C@H](C)NC(=O)Cn2cnnn2)c(C)s1 223227744 XLALDZVFNKTATE-LURJTMIESA-N 266.330 0.624 0 50 CCAA CCc1cc(O)nc(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 285763316 BDIBEFXAJLASMP-MNOVXSKESA-N 291.355 0.343 0 50 CCAA C[C@@H](C(F)(F)F)S(=O)(=O)N1CC(C(=O)O)C1 381141922 MTNOXOALTRZZLW-BYPYZUCNSA-N 261.221 0.283 0 50 CCAA C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)Cc1ccsc1 426648212 XHTHDHGAOMIRDD-VIFPVBQESA-N 296.348 0.435 0 50 CCAA Cc1cc(C(=O)NCCc2cnn[nH]2)c(=O)n(C)c1C 426533748 GWESYXRNYXOFAX-UHFFFAOYSA-N 275.312 0.093 0 50 CCAA Nc1nc(=NCC2(O)CCCCC2)cc([C@H]2CCOC2)[nH]1 426414506 GKBNQIZILABSHB-NSHDSACASA-N 292.383 1.092 0 50 CCAA COCc1ccc(C(=O)N2CCOC[C@H](O)C2)o1 96165530 NCXKLWACDPZFDC-SECBINFHSA-N 255.270 0.259 0 50 CCAA CCc1nccn1CCNC(=O)[C@@H]1CC(=O)N(CC)C1 95355776 RKPYQTYEITZDRP-LLVKDONJSA-N 278.356 0.430 0 50 CCAA O=c1c2cccnc2ccn1CCCn1cnnn1 95355114 XLHSPLSAPHRCCN-UHFFFAOYSA-N 256.269 0.473 0 50 CCAA Cc1nnc(CN2CC[C@@]3(CCCN(C)C3=O)C2)n1C 91452598 YRLFVRABGWYLFC-AWEZNQCLSA-N 277.372 0.568 0 50 CCAA O=C(NCCCCO)c1cnc(-c2ccccc2)[nH]c1=O 92046033 XEXBTKSIHJQOOT-UHFFFAOYSA-N 287.319 0.939 0 50 CCAA CCCN1CN2C(=O)N[C@H]3[C@H]2N(C1)C(=O)N3C(C)(C)C 248015709 SNYYRSJQBBUGSN-NXEZZACHSA-N 281.360 0.841 0 50 CCAA COCCN1C[C@@H](Cc2ncc(C)c(N(C)C)n2)CC1=O 244574955 CUGJZTZXVVISRG-LBPRGKRZSA-N 292.383 0.888 0 50 CCAA Cc1nnnn1-c1ccc(C(=O)N[C@@H](CO)C(C)C)cc1 252496680 POLYQQCUNVYRNF-ZDUSSCGKSA-N 289.339 0.717 0 50 CCAA Nc1ncc(C(=O)NCC2(CN3CCOCC3)CC2)s1 534590125 YBNQRCXCRNKXMQ-UHFFFAOYSA-N 296.396 0.568 0 50 CCAA NC(=O)c1ncn([C@H]2CCCN(C[C@@H]3CCCCO3)C2)n1 299738750 FYSYDIJIXGUPSN-RYUDHWBXSA-N 293.371 0.583 0 50 CCAA Cc1nnc([C@H](C)NS(=O)(=O)c2c(C)noc2C)[nH]1 285307456 HUWJETOWNWUKRX-LURJTMIESA-N 285.329 0.757 0 50 CCAA O=C(Cc1cnn2ccccc12)N1CCO[C@@H](CO)C1 648832829 IEOYKRHHTASHFS-GFCCVEGCSA-N 275.308 0.097 0 50 CCAA Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)CN2)cc1 828128638 WKRTYKCLOLTAKP-OLZOCXBDSA-N 286.339 0.201 0 50 CCAA CCCn1cnnc1[C@@H](C)NC(=O)c1ccc(=O)n(C)c1 584900974 HEPYNVZNYOVUKT-SNVBAGLBSA-N 289.339 0.878 0 50 CCAA C[C@@H](NC(=O)CCCn1cnnn1)c1cccnc1 828000426 BZGGFCCXJNKNCP-SNVBAGLBSA-N 260.301 0.726 0 50 CCAA Cn1c(O)nnc1CCNC1Cc2ccccc2C1 584886905 ADGSHTQZRDKGJL-UHFFFAOYSA-N 258.325 0.820 0 50 CCAA COc1cc(C(=O)N(C)CCCN2CCOCC2)ccn1 584900069 BSECNDRECDVQOC-UHFFFAOYSA-N 293.367 0.885 0 50 CCAA C[C@@H](CN1CCN(C)CC1)NCCc1noc(C2CC2)n1 584903280 WTBUIASCARTMPK-LBPRGKRZSA-N 293.415 0.715 0 50 CCAA CO[C@H]1CN(C(=O)CN(C)C2CCCC2)C[C@@H]1O 670439354 QASIGFYZINADGX-RYUDHWBXSA-N 256.346 0.079 0 50 CCAA O=C(c1ccccn1)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076064960 SBMAVNPNUMGVGG-OLZOCXBDSA-N 285.307 0.659 0 50 CCAA Cc1ccc(NC(=O)[C@]23CNC[C@H]2CCOC3)cn1 1340953186 POCFTVZJRKNCPW-RISCZKNCSA-N 261.325 0.955 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)N1CC(N2CCCCC2)C1 952962836 HKKBXTVUDVZHFO-LBPRGKRZSA-N 277.372 0.611 0 50 CCAA CC[C@@H](NC(=O)c1ccn(C)c1)C(=O)N1CCOCC1 268719761 ZOXZNLFKVAAHAI-GFCCVEGCSA-N 279.340 0.392 0 50 CCAA CCCCCOCC(=O)Nn1ccc(O)nc1=O 585128489 CJIPDYYFIQUANJ-UHFFFAOYSA-N 255.274 0.226 0 50 CCAA CCn1ccnc1CN1CCN([C@@H](C(=O)O)C2CC2)CC1 635014958 ATJYYWLMOHCLHL-CQSZACIVSA-N 292.383 0.884 0 50 CCAA Cc1nnc(N2CC[C@H](CS(C)(=O)=O)C2)nc1C 644141756 JWKAVRSUIAPIIY-JTQLQIEISA-N 270.358 0.359 0 50 CCAA O=C(CCc1ncc[nH]1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644230237 GVZBEOXRAZBDFN-XQQFMLRXSA-N 292.383 0.446 0 50 CCAA Cn1cnnc1SCC(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1074617513 ZQUANSDMCIHBDI-DJLDLDEBSA-N 268.342 0.201 0 50 CCAA Cc1noc([C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)O)C(C)C)n1 1615627905 UDZMTXNCPZMHHU-HRDYMLBCSA-N 267.285 0.912 0 50 CCAA CCn1ncnc1CN(C)C[C@@H]1CCN(CCOC)C1 1506420457 HXTCAXFAOPWBCW-ZDUSSCGKSA-N 281.404 0.698 0 50 CCAA CN(C[C@H]1CCCN1C)c1cc2nncn2c(N)n1 1506418470 RSEPYCVKFVAFHC-SECBINFHSA-N 261.333 0.237 0 50 CCAA CC(=O)N[C@@H](C)C(=O)Nc1nnc(CCN(C)C)s1 1529146419 XCAKPSWYVQKZFW-ZETCQYMHSA-N 285.373 0.105 0 50 CCAA O=c1c2ccccc2nnn1C[C@H](O)C(F)(F)F 109707077 KAWAQNGZNFEWNL-QMMMGPOBSA-N 259.187 0.715 0 50 CCAA CSc1ccccc1C(=O)N[C@H]1COC[C@@H]1O 222688166 PYYHJVKHUHGIRF-UWVGGRQHSA-N 253.323 0.898 0 50 CCAA COC[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H](C)O1 331044455 SQYBEVAHMAYJSF-RYUDHWBXSA-N 267.329 0.454 0 50 CCAA Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)O)n1C 128260130 VBAXOTSPGDHMFP-SNVBAGLBSA-N 266.297 0.649 0 50 CCAA CC1(C(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)COC1 1704343171 AEPOYYPBMZVREF-AWEZNQCLSA-N 283.368 0.946 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1ccnn1 227867865 CZBFIBRXYQUSNI-DCAQKATOSA-N 278.312 0.522 0 50 CCAA CCC[C@]1(C(=O)O)CCN(Cc2nccn2C)C[C@H]1O 1772700626 FLKYUCGMRWJFQS-RISCZKNCSA-N 281.356 0.858 0 50 CCAA Cc1nnc2n1C[C@@H](CNC(=O)c1ncccc1O)C2 1772710144 OSSKASRROWENAO-SECBINFHSA-N 273.296 0.289 0 50 CCAA Cc1ccccc1C(=O)N1CCN(S(C)(=O)=O)CC1 16602580 JQEQJAMCFWKNSX-UHFFFAOYSA-N 282.365 0.712 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCCn1ccnc1 169295644 TZCJKWYHHDLAQP-WISYIIOYSA-N 291.307 0.044 0 50 CCAA NC(=O)C1(CNC(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)CCOCC1 225421171 HBPJOZLSBIZVNJ-BJDJZHNGSA-N 292.379 0.677 0 50 CCAA CNC(=O)NC1CN(C(=O)c2ccc(C(C)(F)F)nc2)C1 334624117 ZBNRAGGYQBKWHC-UHFFFAOYSA-N 298.293 0.947 0 50 CCAA CCOC1CC(O)(CNC(=O)c2cnccn2)C1 252482678 DLXAQTVBLXHLAK-UHFFFAOYSA-N 251.286 0.136 0 50 CCAA C[C@H]1C[C@H](CN)CN1C(=O)Cn1c(=O)[nH]c2ccccc21 262079705 XMWFTCZMCNOPHC-WDEREUQCSA-N 288.351 0.525 0 50 CCAA NC(=O)[C@H]1CN(C[C@@H]2CC3CCC2CC3)CCO1 585116972 NYQDIUHJMNGTGI-IFWUJCSASA-N 252.358 0.999 0 50 CCAA COC(=O)[C@H](O)C1CCN(Cc2cc(C)[nH]n2)CC1 1116448755 BMZQPFBUBLRGPJ-GFCCVEGCSA-N 267.329 0.464 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C 860987751 HXPYWNABCWUFRB-LBPRGKRZSA-N 295.383 0.346 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@](O)(CC)C1 870679172 LEVBKPXRILOPPF-CYBMUJFWSA-N 254.330 0.394 0 50 CCAA CC(C)N(CC(=O)N(C)C)C(=O)c1coc2c1CNC2 1875294420 RHFWVWAGKCYNFN-UHFFFAOYSA-N 279.340 0.822 0 50 CCAA Cc1onc(CO)c1C(=O)N[C@H](CC(C)C)C(=O)O 888096677 HRNDSCUNUODWRW-MRVPVSSYSA-N 270.285 0.704 0 50 CCAA CCCN1C[C@H](CNC(=O)N2C[C@H](O)C3(CC3)C2)CC1=O 1775993266 XXCOAEFSMVSRKE-RYUDHWBXSA-N 295.383 0.411 0 50 CCAA C=CC(=O)N[C@@H]1CCN(S(=O)(=O)C(C)C)C[C@H]1C 1776000269 MCXTZHNTWCJMLC-GHMZBOCLSA-N 274.386 0.737 0 50 CCAA O=C(O)C[C@@H]1CCCN(C(=O)Cn2cccn2)CC1 299743570 LKNSXQFSBVSAGP-LLVKDONJSA-N 265.313 0.987 0 50 CCAA CC(C)NC[C@@H](O)COc1ccc(NC(N)=O)cc1 389082 FGMUQNDVAWYYSW-LLVKDONJSA-N 267.329 0.915 0 50 CCAA CNC(=O)C[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O 2325703196 YKEQSSIAWITXBM-VIFPVBQESA-N 265.244 0.387 0 50 CCAA CN1C[C@@]2(C)CN(C(=O)[C@H]3C4CCN3CC4)C[C@@]2(C)C1 2325811285 LMHVZIXYOZHYAO-BMFZPTHFSA-N 277.412 0.881 0 50 CCAA COC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 379283 WENXBAUUFPUETB-UHFFFAOYSA-N 287.337 0.943 0 50 CCAA O=c1[nH]cc(COCC(F)(F)C(F)F)c(=O)[nH]1 1225264 GUSBGAJVYHZWBY-UHFFFAOYSA-N 256.155 0.480 0 50 CCAA CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C 1856108 ZULJGOSFKWFVRX-UHFFFAOYSA-N 269.389 0.844 0 50 CCAA world [O-][n+]1onc2c1CC[C@@H]1N(O)[C@H](c3ccccc3)C[C@@]21O 4197903 KCRYRGHFKYXPRM-OBJOEFQTSA-N 289.291 0.647 0 50 CCAA CCOCCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 4687332 GCIMKJPOTYUAGC-LLVKDONJSA-N 292.401 0.201 0 50 CCAA CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 8705822 OXJJSKOUFQJYIG-UHFFFAOYSA-N 256.283 0.316 0 50 CCAA Cc1[nH]c(=O)[nH]c(=O)c1-c1ccc(F)c(CO)c1 67834408 JQPVEROQNSTDJO-UHFFFAOYSA-N 250.229 0.670 0 50 CCAA CCc1nc(CN2C[C@H](OC)C[C@H]2COC)n[nH]1 344360541 BIWMYBMNOBBURV-VHSXEESVSA-N 254.334 0.603 0 50 CCAA CCCOCCNC(=O)C1=C(C)NC(=O)N[C@H]1C 67820851 FEHIZNDPRITSHA-QMMMGPOBSA-N 255.318 0.505 0 50 CCAA COC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 13331289 BBRNAFDLOMFQBU-UHFFFAOYSA-N 284.337 0.759 0 50 CCAA CN1CCO[C@@H](CCNC(=O)Cc2cccnc2)C1 67965753 SZFQZTYBUBZGIZ-ZDUSSCGKSA-N 263.341 0.461 0 50 CCAA CCN(CC(=O)O)C1CC(NC(=O)c2ccon2)C1 328631801 KXKVKMXARCEXRZ-UHFFFAOYSA-N 267.285 0.342 0 50 CCAA CN(C(=O)[C@H]1CSCN1C(=O)[C@H]1CCC(O)=N1)C1CC1 329124754 SMWWEAXBXYZINB-NXEZZACHSA-N 297.380 0.628 0 50 CCAA Cc1nc([C@@H]2CCCN2Cc2cn[nH]c2C(=O)O)n[nH]1 215182358 HDVVIOVYSMGUPO-VIFPVBQESA-N 276.300 0.872 0 50 CCAA CCCS(=O)(=O)N1[C@H](C(N)=O)C[C@H]2CCCC[C@H]21 241338680 MCYZUWUCTLKZFG-MXWKQRLJSA-N 274.386 0.845 0 50 CCAA O=C(Cc1cccc(N2CCCC2=O)c1)Nn1ccnn1 521395360 SOBXZWHOPHOCIW-UHFFFAOYSA-N 285.307 0.718 0 50 CCAA CN(CCN1CCOCC1)C(=O)C[C@H]1CCCOC1 193088815 DUWHNOKKMWACBL-CYBMUJFWSA-N 270.373 0.594 0 50 CCAA O=C(CN1CCOCC1)N1CC(Oc2ccc(F)cc2)C1 220292248 IKMHJSQUFYSEML-UHFFFAOYSA-N 294.326 0.748 0 50 CCAA CC[C@H](NC(=O)c1c[nH]c(=O)cn1)c1cnn(C)c1 221450586 ZIAFEPYEZSARNI-VIFPVBQESA-N 261.285 0.385 0 50 CCAA CCC1=NO[C@@H](CSc2nnc(CN)n2C)C1 426578595 LSAMEWVUAHURPM-MRVPVSSYSA-N 255.347 0.921 0 50 CCAA CCN1C[C@@H](C(=O)N(C)Cc2ccon2)CC1=O 91616641 HOCXHEGPKFIYNV-VIFPVBQESA-N 251.286 0.501 0 50 CCAA O=C(NCCCn1ccnc1)c1ccccc1-c1nnn[nH]1 97641871 CITQPVCWWYWHRU-UHFFFAOYSA-N 297.322 0.883 0 50 CCAA Cc1cccc(-n2nc(C)nc2C[C@H]2COCCN2)n1 91690542 YAORAGOWLFTFEE-LBPRGKRZSA-N 273.340 0.810 0 50 CCAA COc1ccc2c(c1)OC[C@H](CNC(=O)CN(C)C)C2 95499978 PVRRWVSRGVKFDX-NSHDSACASA-N 278.352 0.924 0 50 CCAA CC(C)(C)N1C[C@@H](C(=O)NCCCCCO)CC1=O 242944168 HDGDNYLRBBLJCX-NSHDSACASA-N 270.373 0.912 0 50 CCAA CC[C@@]12O[C@H]3[C@H]4C[C@H]([C@H]3O)[C@@H](C(=O)N1C(C)C)[C@@H]42 244811827 SLSXWDFLKWDBEQ-XFRSJRQSSA-N 251.326 0.985 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)NCC1(Cn2ccnc2)CC1 534668525 QGRQPJDQRLGLPI-UHFFFAOYSA-N 289.339 0.759 0 50 CCAA CCc1ncc(C(=O)NCc2nnc(N)s2)cn1 534586779 JCCOJHKPLUOHJJ-UHFFFAOYSA-N 264.314 0.403 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)Nc1nnc2ccccn12 264157106 MBAWXCXBSMSCGX-JTQLQIEISA-N 273.296 0.679 0 50 CCAA CS(=O)(=O)NCCNC(=O)NCCCc1ccco1 534642911 YTWVEJMRUGZXBG-UHFFFAOYSA-N 289.357 0.061 0 50 CCAA CCCON1C(=O)C[C@H](C(=O)OC)C12CCNCC2 299796523 QWULSMGIOZDHCJ-SNVBAGLBSA-N 270.329 0.472 0 50 CCAA CCCC[C@@H](NC(=O)c1ccc(CCN)cc1)C(N)=O 584884096 HPOFRCSXEPBGAP-CYBMUJFWSA-N 277.368 0.962 0 50 CCAA COC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 95495933 OWRLFIZIOSVOGE-KJFVXYAMSA-N 288.296 0.556 0 50 CCAA in-vitro O=C(NCC1(c2ccc(F)cc2)CC1)[C@H]1C[C@@H](O)CN1 269211146 AWSXIVJDBYAGFJ-CHWSQXEVSA-N 278.327 0.696 0 50 CCAA CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(S(C)(=O)=O)C1 408028605 QDPNAFRNKXQZQN-BDAKNGLRSA-N 286.357 0.404 0 50 CCAA Cn1c(S)nnc1CCNC(=O)[C@H]1C[C@@H]1C1CC1 170655862 UXGJYNODCVBKCB-BDAKNGLRSA-N 266.370 0.809 0 50 CCAA CCn1cncc1CN1CCC[C@]1(COC)C(N)=O 643764257 SEZWOHPKGBUZGT-ZDUSSCGKSA-N 266.345 0.369 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(c2ncc(C)cn2)C1 643720360 CCIQZFKVVIDIJI-CYBMUJFWSA-N 264.329 0.252 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1cn2cccnc2n1 644181461 BJESOEXYMZDELG-AWEZNQCLSA-N 290.323 0.795 0 50 CCAA C[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@@H]1N1CCOCC1 192739391 QSVQIRHBMCLCKQ-NEPJUHHUSA-N 295.387 0.288 0 50 CCAA C[C@H]1CCn2ncc(C(=O)NC[C@@H](C)C(=O)O)c2C1 583874599 ZGXLOAGNWXYFPP-DTWKUNHWSA-N 265.313 0.916 0 50 CCAA O=C1CC[C@]2(C(=O)N3CC(OC(F)F)C3)SCCN12 577020255 MQQBOZCKFGWEMH-LLVKDONJSA-N 292.307 0.502 0 50 CCAA NC(=O)CC1CCN(CC[C@@H]2COCCO2)CC1 1775980008 RRYPPSLMGDDCCF-GFCCVEGCSA-N 256.346 0.379 0 50 CCAA CN1CCN([C@H]2CCN(c3ccc(C(=O)O)nn3)C2)CC1 1506401599 DZIOGUWQPNVZLT-NSHDSACASA-N 291.355 0.001 0 50 CCAA COc1nc(N2CCN(C)[C@H](CCO)C2)ncc1F 1704313603 JJPHEGQMDCIUNB-SECBINFHSA-N 270.308 0.127 0 50 CCAA CN1CCCN(C(=O)[C@@H](O)C2CCCCC2)CC1=O 364774397 GOOKANQSRWMOEA-ZDUSSCGKSA-N 268.357 0.618 0 50 CCAA O=C(c1ccc2nn[nH]c2c1)N1CCC([C@H](O)CO)CC1 1772811344 SLURCYDSYOPXRW-CYBMUJFWSA-N 290.323 0.163 0 50 CCAA O=C(CC1=CCCC1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772706523 SMZYQCMQGJYMJX-TXEJJXNPSA-N 251.326 0.546 0 50 CCAA CN1Cc2nnc(CCCO)n2-c2ccccc2C1=O 1772813872 XSGKSQKHVDFYFL-UHFFFAOYSA-N 272.308 0.778 0 50 CCAA CC[C@@H]1CN([C@H]2CCOC2=O)CCN1C[C@@H](C)O 247218155 QHNXOWWQDGHQHP-UTUOFQBUSA-N 256.346 0.079 0 50 CCAA O=C1N(CC2CCC2)CCC[C@@]1(O)CNCc1ccon1 12200668 BYPSTKVQSIZARO-OAHLLOKOSA-N 293.367 0.918 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)CCn2cnnc2)CC[C@H]1O 1857737551 RXQMFIXTCNCZDU-OCCSQVGLSA-N 296.371 0.040 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1cnnc(C)c1 644061368 NMRHUGPQMNFGMG-CQSZACIVSA-N 292.339 0.152 0 50 CCAA NS(=O)(=O)C1CCN(c2cnc3ccccc3n2)CC1 363615485 JHELOENEYVRKJR-UHFFFAOYSA-N 292.364 0.887 0 50 CCAA NC(=O)[C@H]1CN(C[C@H]2CC3CCC2CC3)CCO1 585116971 NYQDIUHJMNGTGI-FIYWTHMPSA-N 252.358 0.999 0 50 CCAA COc1ccnc(N2CCN(CCC(=O)O)C[C@@H]2C)n1 910455944 LZTKGULIAICCDK-JTQLQIEISA-N 280.328 0.470 0 50 CCAA Cc1cc(C)nc(-n2[nH]c(C(=O)N3C[C@H]4C[C@H]4C3)cc2=O)n1 912983476 BEPWVHQJDIZKBY-PHIMTYICSA-N 299.334 0.664 0 50 CCAA CN1CCC[C@@H]1[C@@](C)(O)c1ccc(OCC(N)=O)cc1 818024554 RBXIEFNQDSLUJT-HIFRSBDPSA-N 278.352 0.852 0 50 CCAA CN=c1nc(C(=O)NCCc2ncccn2)cc(C)[nH]1 1875295831 SAUVZYVDTHTXCJ-UHFFFAOYSA-N 272.312 0.011 0 50 CCAA COC[C@H](NC(=O)c1cc2sccc2[nH]1)C(N)=O 1875263841 LIUIUMJGIKZWAT-QMMMGPOBSA-N 267.310 0.460 0 50 CCAA CN(C)S(=O)(=O)CCN1CCC[C@@H]1C(C)(C)O 407947399 GNGPOEPUCPYBQL-SNVBAGLBSA-N 264.391 0.113 0 50 CCAA COCCCn1ccc2c(cnc3ncnn32)c1=O 9290453 KPFRILIUJBUAEN-UHFFFAOYSA-N 259.269 0.476 0 50 CCAA CC(C)(N)[C@H](O)C(=O)NCCOCCOc1ccccc1 2325800781 FJFCXYHANJYTIB-CYBMUJFWSA-N 296.367 0.296 0 50 CCAA C[C@@H](C(=O)NC(N)=S)N1C(=O)c2ccccc2C1=O 177092 LMSIGISLIBASBC-LURJTMIESA-N 277.305 0.031 0 50 CCAA O=S(=O)(NCCO)c1ccc2cc(O)ccc2c1 2468997 FXDLWTHBYQGNQS-UHFFFAOYSA-N 267.306 0.816 0 50 CCAA CCCNC(=O)n1ccc(C(=O)N2CCOCC2)n1 2734164 XTQCIGKURNPDQM-UHFFFAOYSA-N 266.301 0.323 0 50 CCAA Cc1cc(C)n(C[C@H](C)NCCN(C)S(C)(=O)=O)n1 67769869 PCIOJGFPCGUWPE-NSHDSACASA-N 288.417 0.369 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc(C(C)C)on1 67649297 FHFPOARPYUHAKJ-KOLCDFICSA-N 294.355 0.476 0 50 CCAA COc1ccc(S(=O)(=O)NCCCN)cc1Cl 20224160 NFHOKEYPLGXKKJ-UHFFFAOYSA-N 278.761 0.976 0 50 CCAA CN(CC(=O)N1[C@H]2CC[C@@H]1CCNC2)Cc1ccccn1 65500797 GBUSDXUFHRZUCG-CABCVRRESA-N 288.395 0.866 0 50 CCAA Cc1n[nH]c(C)c1CN1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 214984082 VUVITXMIKCLPSF-XCCSTKFXSA-N 265.357 0.590 0 50 CCAA Nc1ccnc(CNC(=O)c2cccnc2S)n1 120464915 IORHIZRYEIJARF-UHFFFAOYSA-N 261.310 0.673 0 50 CCAA O=C(O)C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O 504224023 VTOAAUVSJJTBGZ-SECBINFHSA-N 266.228 0.721 0 50 CCAA COc1ccc(S(=O)(=O)N(C)CC(=O)O)c(F)c1 261754462 KMAOREJHKCBYAQ-UHFFFAOYSA-N 277.273 0.539 0 50 CCAA O=C(C[C@H]1CNCCO1)NCCOc1ccccc1F 215490825 JFQHKQMMGBOYEL-NSHDSACASA-N 282.315 0.699 0 50 CCAA CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@H]1C(=O)O 262083898 FQKUTLFEQQSLJY-JTQLQIEISA-N 291.369 0.523 0 50 CCAA Cn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@H]3C(=O)O)ccc21 237692999 WCSGDRAVTDAISL-LLVKDONJSA-N 289.291 0.556 0 50 CCAA Nc1nc(NCc2ccon2)cc(C2CC(N)C2)n1 222354345 RCZQDRMTSCDQGI-UHFFFAOYSA-N 260.301 0.864 0 50 CCAA Cc1nccn1CCC(=O)N1CCCC[C@@H](N)C1 82109183 RUFWPTXYZLIYBP-GFCCVEGCSA-N 250.346 0.921 0 50 CCAA CC(C)n1cccc1C(=O)NC[C@H]1CN(C)C(=O)CO1 221332771 ZCRMENGCCBZGDP-NSHDSACASA-N 279.340 0.656 0 50 CCAA O=C(NC[C@H]1CNC[C@@H]1O)OCc1ccccc1 138175058 GMRSODJBNMSXGR-NEPJUHHUSA-N 250.298 0.493 0 50 CCAA COC1(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)CCOCC1 284344967 MNUSNAZPUCWAFM-GFCCVEGCSA-N 293.367 0.932 0 50 CCAA Cn1cc([C@H](NC(=O)c2cnccn2)C2CC(O)C2)cn1 220158006 WBHSTDMJPQQGHH-QEIKUCIBSA-N 287.323 0.452 0 50 CCAA COC[C@H]1CN(C(=O)Cc2ccn[nH]2)CC(C)(C)O1 285655855 XZSFLTKMWJZDDJ-LLVKDONJSA-N 267.329 0.605 0 50 CCAA O=C(NCCc1nc(-c2cccnc2)no1)c1ccnnc1 221390239 RGZPBLGYUCFHBX-UHFFFAOYSA-N 296.290 0.894 0 50 CCAA CCCc1nnc(N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)o1 95389062 ZLDIPVXHZDACJK-OCAPTIKFSA-N 264.285 0.073 0 50 CCAA Cc1cncc(NC(=O)N2CCO[C@@H](CCN)C2)c1 97653978 UECCUEDDPIJCGC-LBPRGKRZSA-N 264.329 0.972 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3[C@@H]4[C@@H]3[C@@H]3[C@]5(CC6(CC6)C[C@]135)[C@H]42 248023792 IUHGBXUQVZUVDO-VPQKOMKHSA-N 283.331 0.510 0 50 CCAA O=C(NCCc1cn2ccccc2n1)[C@H]1C=CCN1 534656610 XHLRCUDLTIZOBC-GFCCVEGCSA-N 256.309 0.521 0 50 CCAA CNCC1CCN(C(=O)c2cn(C)c(C)cc2=O)CC1 534637795 MEFRNRQURAXMDT-UHFFFAOYSA-N 277.368 0.765 0 50 CCAA Cc1nnnn1CC(=O)N[C@H](CC(C)C)c1ncnn1C 534640858 HHRMIFFGAGNEON-SNVBAGLBSA-N 292.347 0.014 0 50 CCAA O=C(c1cccc(-c2ncc[nH]2)c1)N1C[C@@H]2NCCO[C@H]2C1 534659714 IHDLDDCZPGEOJC-KBPBESRZSA-N 298.346 0.890 0 50 CCAA Cn1ncnc1CCNC(=O)C[C@@H]1CCCOC1 827807423 OTXQLLLCFBSDLR-JTQLQIEISA-N 252.318 0.291 0 50 CCAA Cc1c[nH]ccc1=NCCNS(=O)(=O)N1CCCC1 825253607 PFCDMGMGGDHMNG-UHFFFAOYSA-N 284.385 0.154 0 50 CCAA CCOCc1nc(CC(N)=O)nn1-c1cccnc1 823338165 ZGZJMAGFAZBNKK-UHFFFAOYSA-N 261.285 0.227 0 50 CCAA C[C@@H](c1ncnn1-c1ccncc1)N1CCN(C)CC1 822279841 YEHTYDXEWPMVGZ-LBPRGKRZSA-N 272.356 0.971 0 50 CCAA C[C@@H]1C(=O)N(C)CCN1C(=O)CCc1cn[nH]c1 863907618 HTMPUONIJDWSNM-SECBINFHSA-N 250.302 0.031 0 50 CCAA Cc1ncnc(N2CCN(C(=O)[C@@H]3C=CCN3)CC2)c1C 952970121 NYGSUDHYXGBWPJ-ZDUSSCGKSA-N 287.367 0.270 0 50 CCAA COc1ccc(CCCC(=O)N[C@H]2CCNC[C@@H]2O)cc1 1565507563 PTUKSTXPIRVHLE-GJZGRUSLSA-N 292.379 0.857 0 50 CCAA CO[C@H](C)c1noc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)O)n1 268943122 LCCUCYJAZHNEQQ-PRJMDXOYSA-N 283.284 0.456 0 50 CCAA O=C(NC1(C(=O)O)COC1)OCc1ccccc1 83428627 SDACJLQSZZYSTE-UHFFFAOYSA-N 251.238 0.766 0 50 CCAA in-vitro C[C@H]1CN(C(=O)c2cc[nH]n2)CCN1CC(C)(C)O 170602694 YTEMUSHGUHTHMR-JTQLQIEISA-N 266.345 0.327 0 50 CCAA Cn1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 170620470 MFTFRWGZALEOCA-UHFFFAOYSA-N 280.309 0.320 0 50 CCAA CCc1cc(C)c(C(=O)N[C@H]2CNC[C@@H]2OC)o1 195554017 FXNWUBBVQMOYDC-QWRGUYRKSA-N 252.314 0.867 0 50 CCAA COc1cccc(COCC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)c1 566854681 HKMBPCGLKWJQMI-NHAGDIPZSA-N 276.336 0.546 0 50 CCAA O=C(NC1CC2(C1)CC2(F)F)[C@]12CNC[C@H]1CCOC2 1615553494 LNVLNHRWPWYWAH-AXNUBFLRSA-N 286.322 0.917 0 50 CCAA O=C(NCc1ncc[nH]1)[C@@H]1NCCOc2ccccc21 1646741735 DKIAPFKKEMNYRN-CYBMUJFWSA-N 272.308 0.749 0 50 CCAA O=C1NCC2(CN(C(=O)c3cc(C4CC4)[nH]n3)C2)O1 1630415236 NCOMZHUELQGETF-UHFFFAOYSA-N 262.269 0.222 0 50 CCAA CCCN(CC1CC1)S(=O)(=O)N1CCC[C@@H](O)C1 221672205 OJYYEROBRJRWLZ-GFCCVEGCSA-N 276.402 0.810 0 50 CCAA CN(C(=O)c1ccc2c(c1)OCO2)[C@H]1COC[C@@H]1O 219594776 MCEQITPESRUNQL-UWVGGRQHSA-N 265.265 0.247 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C[C@]2(O)CCCOC2)N(C)C1 660512194 NXIPCPIXSPFGGR-MELADBBJSA-N 272.389 0.179 0 50 CCAA Cc1nc(N)ncc1C(=O)N1CC(N2CCCCC2)C1 223744779 HQHGVRRCIUMMFM-UHFFFAOYSA-N 275.356 0.678 0 50 CCAA CC[C@@]12COC(=O)N1CCN(Cc1cnc[nH]1)C2 1857712762 GXZLAMQHBIMANM-GFCCVEGCSA-N 250.302 0.826 0 50 CCAA N[C@H]1CCC[C@@H](CN2C[C@@H]3[C@@H](C2)C3(CO)CO)C1 1772703127 CHAZOWRHKPWVHO-YVECIDJPSA-N 254.374 0.037 0 50 CCAA CC(C)N1C[C@H](CN2CCC(C(N)=O)CC2)CCC1=O 1772809107 MKCCGILOUZZRQP-LBPRGKRZSA-N 281.400 0.831 0 50 CCAA C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)O)S(C)(=O)=O 134075948 TVJHXBGMEKNAIE-MWLCHTKSSA-N 299.348 0.232 0 50 CCAA Cc1cccc(N2CCN(C(=O)Cn3cnnc3)CC2)n1 1857693047 FZTZUPFMPZAMDH-UHFFFAOYSA-N 286.339 0.330 0 50 CCAA Cc1cncc(C(=O)N[C@@H]2C[C@H]3CO[C@H](C)CN3C2)c1 1857716370 JFANGYAIXKLCHG-BNOWGMLFSA-N 275.352 0.981 0 50 CCAA CN[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)nn2)C1 150977260 QGZZJMBTGPHTKD-LBPRGKRZSA-N 289.383 0.901 0 50 CCAA C[C@H](O)CNCc1cccc(N(C)S(C)(=O)=O)c1 905699055 ULWPMDAZZGINEG-JTQLQIEISA-N 272.370 0.553 0 50 CCAA O=C(NOC[C@H]1CCOC1)[C@@H]1CCCn2nccc21 818866340 MHCGFYSWNBMYMF-WDEREUQCSA-N 265.313 0.845 0 50 CCAA CC(C)CN1CCC[C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1 952877759 VBNCRMMSDAHYLZ-CQSZACIVSA-N 293.411 0.940 0 50 CCAA C[C@@H]1C[C@H](C(=O)NCCc2cncs2)O[C@H]1C(=O)O 1875270888 WSUWWDZYQIHACJ-SZEHBUNVSA-N 284.337 0.680 0 50 CCAA CS(=O)(=O)NC(=O)Cc1csc(-c2cnccn2)n1 1875390404 BMVJZJVJGORVCF-UHFFFAOYSA-N 298.349 0.218 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cn([C@H]2CCOC2)nc1C 1875312022 RBYQDAKJFRPKNG-UFFNRZRYSA-N 293.323 0.612 0 50 CCAA Cn1cnnc1C[C@]1(O)CCCN(c2ncccc2F)C1 886065602 MKGHTOMUUVZZJT-CQSZACIVSA-N 291.330 0.923 0 50 CCAA O[C@H]1CCN([C@H]2CCC[C@H]2NCCc2cn[nH]c2)C1 886082447 BODUIVCUUFGCAB-MJBXVCDLSA-N 264.373 0.530 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)Cc2ccc[nH]2)C1 888076848 LYLSPINZTKOTJM-CQSZACIVSA-N 279.340 0.047 0 50 CCAA C=CC(=O)Nc1ccccc1CNS(C)(=O)=O 1776003516 VGFDRQVOSGCPSR-UHFFFAOYSA-N 254.311 0.860 0 50 CCAA C[C@H](CN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O)CS(C)(=O)=O 249363417 AIOYZAMMXMJFFF-YERPJTIDSA-N 273.398 0.368 0 50 CCAA O=C(Nc1ccc(-n2cncn2)cc1)[C@@H]1CNCCO1 43716275 OMGOTFCVVMSRHS-LBPRGKRZSA-N 273.296 0.194 0 50 CCAA Cc1nscc1C(=O)N[C@@H]1CCO[C@@H]1C(=O)O 659174431 KLDKDWLRVNKEDR-SFYZADRCSA-N 256.283 0.423 0 50 CCAA CCOC[C@H](O)CN1CCC(n2ccnc2)CC1 331191726 REMBAMOPQJFVAE-CYBMUJFWSA-N 253.346 0.917 0 50 CCAA COc1ccnc(C(=O)N[C@H](C)[C@H](C)C(=O)O)c1 648336295 IBDNYPQXKUBFOI-JGVFFNPUSA-N 252.270 0.929 0 50 CCAA O=C1CNC(=O)N1CCCN1CCO[C@@H](C2CC2)C1 368887437 IGTXNDAWFLCUBQ-LLVKDONJSA-N 267.329 0.039 0 50 CCAA Cc1cc(=NCc2cccc(S(C)(=O)=O)c2)[nH]c(=N)[nH]1 2325870498 AAJJFPKUWVAKIQ-UHFFFAOYSA-N 292.364 0.635 0 50 CCAA COC(=O)/C(=C\NC(=O)c1ccccc1)C(=O)NC(C)C 2325899382 AEXILBMBRHQWIE-XFXZXTDPSA-N 290.319 0.998 0 50 CCAA COc1cccc(NC(=O)c2nc(N)nc(N(C)C)n2)c1 39241 CWRIBEREEHTVNE-UHFFFAOYSA-N 288.311 0.781 0 50 CCAA C[C@H](Oc1ccccc1)C(=O)N[C@H]1CCCNC1=O 405640 YVYVUBSLVFANKA-JQWIXIFHSA-N 262.309 0.849 0 50 CCAA CCOC(=O)N1CCc2c(sc(N)c2C(N)=O)C1 4177183 NSIGBZABEAQJEV-UHFFFAOYSA-N 269.326 0.944 0 50 CCAA COc1ccc(CCN2C(=O)CC(=O)NC2=O)cc1OC 4560128 XADOJCGJGFXLAH-UHFFFAOYSA-N 292.291 0.715 0 50 CCAA Cn1c(=O)n(C)c2cc(CNc3nc[nH]n3)ccc21 4999787 FMEWRRBTNOQMRQ-UHFFFAOYSA-N 258.285 0.607 0 50 CCAA COc1ccc(-c2noc(-c3ccc(=O)n(C)n3)n2)cn1 109589252 QBZFKKKECFNRLY-UHFFFAOYSA-N 285.263 0.901 0 50 CCAA COCCN(C)CCN1CC2(CCN(C)CC2)OC1=O 72421594 ZVSMEGBQUNPECL-UHFFFAOYSA-N 285.388 0.481 0 50 CCAA Cc1cnc(C)c(N2CCN(C(=O)c3cn[nH]c3)CC2)n1 215780808 SWSJKAXTVFOXCL-UHFFFAOYSA-N 286.339 0.779 0 50 CCAA CCCN1C[C@H](C(=O)N2CCN(C)CC2)CC1=O 33359501 AHZNODPIGXTLRN-LLVKDONJSA-N 253.346 0.019 0 50 CCAA c1c(CN2CCC(n3cnnc3)CC2)nn2c1CNCC2 72146888 OOQBAKLLJGZQOY-UHFFFAOYSA-N 287.371 0.415 0 50 CCAA Cc1c(C(N)=O)nnn1-c1cccc2c1CCN(C)C2 364167584 MVDXCVYOTQCHIN-UHFFFAOYSA-N 271.324 0.663 0 50 CCAA CN1CC[C@H](N(C)S(=O)(=O)NCc2ccccc2)C1 71759771 BOWXZJKRPWHDMS-ZDUSSCGKSA-N 283.397 0.657 0 50 CCAA C[C@H](Oc1ccccn1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 333501534 CQGSXRZSGNQOCQ-NWDGAFQWSA-N 289.335 0.682 0 50 CCAA C[C@@]1(C(=O)N2CCC[C@H](Cn3cncn3)C2)CCNC1 237550719 QCXCURUMPZDKTI-GXTWGEPZSA-N 277.372 0.516 0 50 CCAA COc1cccc(C(=O)N2CC[C@@H](N)[C@H](O)C2)c1C 82134457 VVIDBZWMIQIZAW-VXGBXAGGSA-N 264.325 0.538 0 50 CCAA Cn1nnnc1SCCNC(=O)Cc1ccsc1 223688136 PLSUROGWQLIYSZ-UHFFFAOYSA-N 283.382 0.723 0 50 CCAA CN(C)[C@@H]1[C@@H](NC(=O)C(=O)c2ccco2)[C@H]2CCO[C@H]21 220182774 CZQWUDZDDSADBH-IHXVIFPJSA-N 278.308 0.296 0 50 CCAA CCOCC[C@@]1(Br)C(=O)NC(=O)N=C1O 44124345 IGRXBOAVFBJTER-UHFFFAOYSA-N 279.090 0.753 0 50 CCAA O=C(Cc1nc(O)n[nH]1)N[C@@H]1CCc2ccccc21 426584929 WAEMMDJQIPXGDW-SNVBAGLBSA-N 258.281 0.857 0 50 CCAA CC(C)n1cnnc1CN1C(=O)NC2(CCNCC2)C1=O 95501624 CZXVGJTZDBXALU-UHFFFAOYSA-N 292.343 0.033 0 50 CCAA C[C@@]1(c2ccccc2)CN(C(=O)[C@H]2COCCN2)CCO1 237367640 XJYJWZMGIOJTNL-ZBFHGGJFSA-N 290.363 0.749 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1c(C2CC2)cnn1C 614455682 MWDSFUSYXTVSHA-LDYMZIIASA-N 276.340 0.694 0 50 CCAA CC1(C)CNC(=O)c2nc([C@@H]3COCCO3)[nH]c2C1 95376984 CAISEFXZZGWNCM-VIFPVBQESA-N 265.313 0.810 0 50 CCAA C[C@H]1CN(C(=O)c2ncncc2Cl)C[C@H](C)N1 179148001 UZKLVKWLXRZIEM-YUMQZZPRSA-N 254.721 0.952 0 50 CCAA CCc1nccn1CCNC(=O)C[C@@H](C)N1CCOCC1 244633387 GCDYQMATZYGMOB-CYBMUJFWSA-N 294.399 0.673 0 50 CCAA Cc1nccn1CCCN1CCN(c2nc[nH]n2)CC1 244899288 ZGWJVIWYEJBMLK-UHFFFAOYSA-N 275.360 0.522 0 50 CCAA Nc1nc(NCc2cccnc2N)cc([C@H]2C[C@@H](O)C2)n1 244899693 ZOEYUHVGJPLFMW-AOOOYVTPSA-N 286.339 0.886 0 50 CCAA Cc1cc(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)no1 536094364 FKLUJHNZKDAQCW-UHFFFAOYSA-N 277.284 0.827 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2CCCCN2)CC1=O 299750931 OUWYHQLMTXDLBD-KXNHARMFSA-N 265.357 0.254 0 50 CCAA O=C(CCOc1ccccc1F)N1CCO[C@H]2CNC[C@H]21 299742944 KXGGQMGAULMEDV-OCCSQVGLSA-N 294.326 0.794 0 50 CCAA COc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2)cc1F 299747725 DVKSJBRFVCYQRU-ONGXEEELSA-N 268.288 0.173 0 50 CCAA COCCN1Cc2cc(C(N)=O)ccc2OCC1=O 263618654 UVUDGKDCVQABGW-UHFFFAOYSA-N 264.281 0.153 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CC[C@H](CN)C1 534641449 PERXYZHQPMIBJI-SNVBAGLBSA-N 272.374 0.433 0 50 CCAA CC(=O)N1CCO[C@@H](CNc2ncc(F)cn2)C1 534639279 BHOGZYBLIQFTEU-JTQLQIEISA-N 254.265 0.275 0 50 CCAA CC(C)[C@H](CNC(=O)c1[nH]nc(N)c1Cl)N(C)C 534647360 RMFXZADNFYJXGL-ZETCQYMHSA-N 273.768 0.961 0 50 CCAA CC1(C(=O)NCCOc2cccc(C(=O)O)c2)COC1 534643494 HEZLWRVIRIHYEP-UHFFFAOYSA-N 279.292 0.916 0 50 CCAA Cc1nc(CNS(=O)(=O)c2cn(C)c(C)n2)cs1 624557237 WNSIMMQHYKURTF-UHFFFAOYSA-N 286.382 0.972 0 50 CCAA CC(C)C(=O)N1CCC[C@@H](NC(=O)c2cnc[nH]2)C1 299755840 DJTXQQRBOQDPAV-SNVBAGLBSA-N 264.329 0.787 0 50 CCAA Cc1nncn1CCN1CCC[C@@](C)(C(=O)O)C1 828454972 PVNXMWPBNUPGNU-GFCCVEGCSA-N 252.318 0.773 0 50 CCAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)CCS(C)(=O)=O 827881225 PGUOYWWLUKMMLG-LBPRGKRZSA-N 297.376 0.883 0 50 CCAA Cn1ccnc1[C@H](NC(=O)CCCn1cnnn1)C1CC1 828000845 CJHKPIOSQXFCOP-GFCCVEGCSA-N 289.343 0.454 0 50 CCAA CCC[C@@H](NC(C)=O)C(=O)NCc1nonc1C 584885804 BQZCLVPHYMENIH-SECBINFHSA-N 254.290 0.299 0 50 CCAA Cc1cccnc1[C@@H](NC(=O)CN(C)C(N)=O)C1CC1 584900287 FWOLCBGLRCNRKV-ZDUSSCGKSA-N 276.340 0.968 0 50 CCAA O=C(NC[C@@H]1CCCN(C(=O)C2(CO)CC2)C1)C1CCC1 952983243 VOPCPMOOQMGCAQ-LBPRGKRZSA-N 294.395 0.914 0 50 CCAA Oc1n[nH]c(CNCc2cnc(-c3ccccn3)nc2)n1 952869073 VWKSHHOJQMDIHA-UHFFFAOYSA-N 283.295 0.652 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)CCc1csc(N)n1 1565516798 FEKLUIFIHULGTC-QWRGUYRKSA-N 299.396 0.968 0 50 CCAA CC[C@@H](C(=O)N1CCC[C@H]1C(=O)N(C)C)N1CCCC1=O 408467519 LFTSCFFRDBEXMA-RYUDHWBXSA-N 295.383 0.467 0 50 CCAA C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CCc1nn[nH]n1 631360490 NSVSDHSIZXGRNM-MNOVXSKESA-N 278.360 0.218 0 50 CCAA OC[C@@H]1CN(c2nc(C3CC3)nc3[nH]ccc23)C[C@H]1O 631305300 CIUADMANICBEBH-GXSJLCMTSA-N 274.324 0.625 0 50 CCAA Cc1ccnc(N2CC[C@H](n3cc(C(N)=O)nn3)C2)c1 643758912 KYCMZXGNHZVDHD-JTQLQIEISA-N 272.312 0.532 0 50 CCAA COc1cc(N2CCC[C@](O)(CC(=O)N(C)C)C2)ncn1 643719326 ZYIDLZUEVFQAPZ-AWEZNQCLSA-N 294.355 0.295 0 50 CCAA O=C(Cn1cncn1)N1CC[C@](CO)(c2ccccc2)C1 644707684 LGMZCNXCHGHYHA-HNNXBMFYSA-N 286.335 0.441 0 50 CCAA CN(CCCOc1ccc(F)cc1)C(=O)[C@H]1C[C@H](O)CN1 195543251 YUYSCSKDBPTRIX-GXTWGEPZSA-N 296.342 0.776 0 50 CCAA CC(C)O[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)B(O)OC3)C1 584997272 AEWLUNIZDCCMQS-BETUJISGSA-N 289.140 0.590 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@]12OCCC[C@H]1C2(F)F 862200604 HLOHWZQLDQWNHP-SKDRFNHKSA-N 288.294 0.561 0 50 CCAA O=C(CC1OCCO1)N1CC[C@@H](c2ncon2)C1 1637991608 WFOYOPJJCVMDFG-MRVPVSSYSA-N 253.258 0.149 0 50 CCAA CC[C@@H](C)[C@H](C(=O)N1CCN(C)CC1)n1cnnn1 1615151829 FUGIAPKOGFNFMQ-GHMZBOCLSA-N 266.349 0.034 0 50 CCAA NC(=O)C1CN(C(=O)c2ccc3oc(S)nc3c2)C1 1520395999 RKTFGTZHGVTGQV-UHFFFAOYSA-N 277.305 0.674 0 50 CCAA CCOCC(=O)Nc1csc2nc(=O)c(C)nn12 1529146459 ZKGHJYWEDVWSJS-UHFFFAOYSA-N 268.298 0.434 0 50 CCAA CCN(C)C[C@@H]1CCN(c2ccc3nnnn3n2)C1 608095094 ZDMMQZOXJKWPSY-JTQLQIEISA-N 261.333 0.297 0 50 CCAA Cc1c(Br)cncc1NS(N)(=O)=O 722712931 XOGVCFQESOVOLG-UHFFFAOYSA-N 266.120 0.768 0 50 CCAA CNC[C@H]1CCCN1C(=O)c1ncncc1Cl 237258510 HMEACVJSOJKLPI-MRVPVSSYSA-N 254.721 0.954 0 50 CCAA CC(C)N1C[C@@H](CN2CCC(C(N)=O)CC2)CCC1=O 1772809106 MKCCGILOUZZRQP-GFCCVEGCSA-N 281.400 0.831 0 50 CCAA CCOC(=O)CNC(=O)N[C@@H]1CC(=O)N(CC(C)(C)C)C1 11873339 RJODAQRFMALGKJ-SNVBAGLBSA-N 299.371 0.496 0 50 CCAA O=C(c1cc2cccnc2[nH]1)N1C[C@@H](CO)C[C@@H](CO)C1 1857527608 VOPVQJXBQXEESV-PHIMTYICSA-N 289.335 0.626 0 50 CCAA O=C(O)[C@H]1CCCCN1C(=O)Cn1cc(C2CC2)nn1 128619634 DBRXTRKYLZXOLS-LLVKDONJSA-N 278.312 0.621 0 50 CCAA COCC(C)(C)C(=O)N1CCC[C@@H](c2nc(O)n[nH]2)C1 330602882 HNHRJJXFFKFYJL-SECBINFHSA-N 282.344 0.889 0 50 CCAA COC(=O)c1cccnc1N1C[C@H]2COC[C@@H](C1)CN2C 1875246085 YJRZSZPMIQCAPS-NEPJUHHUSA-N 291.351 0.635 0 50 CCAA NC(=O)C1(CN[C@@H]2CCOC23CCCC3)CCOCC1 903067948 YSCRGIKNEMFMSU-GFCCVEGCSA-N 282.384 0.960 0 50 CCAA O=C(c1cnc2[nH]c(O)nc2c1)N1CC[C@@H](CO)C1 1118057605 FGWWGNQVLLCXPO-SSDOTTSWSA-N 262.269 0.118 0 50 CCAA Cc1ccnn1CC(=O)NC[C@H](C(=O)O)C1CCOCC1 864281127 PWACZWYFDNHMHZ-LBPRGKRZSA-N 295.339 0.435 0 50 CCAA COc1ccnc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)n1 952889719 FHGIPHSDXKUKFP-WPRPVWTQSA-N 276.300 0.793 0 50 CCAA C[C@@H](NC[C@]1(CO)COC[C@@H](C)N1C)c1ncco1 1875398860 HHQCLQHDBPWHPJ-WZRBSPASSA-N 269.345 0.407 0 50 CCAA O=C(NCc1nc(-c2ccccn2)n[nH]1)C1CCNCC1 1875315513 YAGHUHMOCVFWSL-UHFFFAOYSA-N 286.339 0.483 0 50 CCAA O=C(O)c1cc(CN[C@@H]2CCO[C@]3(CCOC3)C2)[nH]n1 1875345259 XYAMRJXLTTYCFZ-NOZJJQNGSA-N 281.312 0.536 0 50 CCAA O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1[C@@H]1C[C@@H]2OCCC[C@@H]21 1875343105 QGWHCSGVTQNWLT-JUSONOGQSA-N 277.320 0.716 0 50 CCAA CC(=O)N1C[C@@H]2CN(c3cccc(F)c3C(N)=O)C[C@@H]2C1 1772698324 NQERHUPMNSIOFM-PHIMTYICSA-N 291.326 0.839 0 50 CCAA COC[C@](C)(CC(=O)O)NC(=O)c1cc(C)on1 237101749 QGMPWQPLMISBRK-NSHDSACASA-N 256.258 0.593 0 50 CCAA CNC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20064186 OXVFKSGODQTBIR-UHFFFAOYSA-N 277.324 0.872 0 50 CCAA C[C@@]1(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CCCOC1 408164463 LXBDWRJGNGUQST-ZYHUDNBSSA-N 290.385 0.083 0 50 CCAA Cn1ncc(CN2CC(C)(C(N)=O)C2)c1C(F)(F)F 570713803 ZSJOEBKYEOJWAC-UHFFFAOYSA-N 276.262 0.746 0 50 CCAA Cn1cc(CC(=O)N2C[C@@H](N)CC[C@@H]2C(F)(F)F)cn1 583619836 NMSZGGCIBQHFEB-VHSXEESVSA-N 290.289 0.843 0 50 CCAA CCN([C@@H](C)C(=O)O)S(=O)(=O)c1cn(C)c(C)n1 707929732 UYHCFWLNXDZRPT-ZETCQYMHSA-N 275.330 0.212 0 50 CCAA Cc1nc(C)c(Cn2cc(S(C)(=O)=O)cn2)o1 901604065 YNFOOUZIZPSGGE-UHFFFAOYSA-N 255.299 0.940 0 50 CCAA CSCCN1CCN(C(=O)c2cnc(N)nc2C)CC1 824901284 QGAQMZJSXWDCDB-UHFFFAOYSA-N 295.412 0.488 0 50 CCAA O=C(NC[C@@H]1[C@H]2CNC[C@H]21)c1n[nH]cc1-c1ccncc1 2325796415 OLFBJWKOSKPJHH-ITGUQSILSA-N 283.335 0.667 0 50 CCAA [O-][n+]1onc2c1CCc1c-2nc(-c2ccco2)n1O 64584 GBHJKAORJQOBTO-UHFFFAOYSA-N 260.209 0.767 0 50 CCAA CC[C@@H](C)NC(=O)C1CCN(S(C)(=O)=O)CC1 261920 NYEHCLMEJPRGCJ-SECBINFHSA-N 262.375 0.573 0 50 CCAA COc1ccc2[nH]nc(CN3C[C@@H]4CNC(=O)[C@@H]4C3)c2c1 2356143576 NOHPSQMFHLBHFN-JOYOIKCWSA-N 286.335 0.749 0 50 CCAA C[C@@H](CCc1ccccc1)NC(=O)C(=O)N1CCOCC1 2898784 XOQRDNCZCGWZOR-ZDUSSCGKSA-N 290.363 0.983 0 50 CCAA NS(=O)(=O)c1ccc(NCCCC(=O)O)cc1 3683371 JPMYRBUZDAVJFI-UHFFFAOYSA-N 258.299 0.611 0 50 CCAA O=c1[nH]c(=O)c2cc(I)ccc2[nH]1 21987468 NBSMJLABFCDYFQ-UHFFFAOYSA-N 288.044 0.821 0 50 CCAA CN(CCN1CCCC1)c1nccnc1C(=O)O 63055070 QPLNWYCKWMCALB-UHFFFAOYSA-N 250.302 0.707 0 50 CCAA CC(C)c1cc(C(=O)NCCNC(=O)C(F)(F)F)[nH]n1 67757170 WMUXJAWWGHSXHY-UHFFFAOYSA-N 292.261 0.941 0 50 CCAA CN1CCc2ccc(NC(=O)N3CC[C@H](O)C3)cc2C1=O 353440119 OSNQZHJEZQYKOO-LBPRGKRZSA-N 289.335 0.913 0 50 CCAA O=C1C[C@H](N=c2nc(-c3ccncc3)[nH]c3c2CCC3)CN1 354050271 XJKJTSNNTIGPTM-NSHDSACASA-N 295.346 0.750 0 50 CCAA Cn1ncc(N2CCN(Cc3cscn3)CC2)cc1=O 216398127 DYJJDRPYOFEXRX-UHFFFAOYSA-N 291.380 0.559 0 50 CCAA COc1ccc(NC(=O)[C@H]2CNCC(=O)N2)c(C)c1 71681668 LLOMAQDXYPGWCH-LLVKDONJSA-N 263.297 0.030 0 50 CCAA Cn1ncc(N2CCN(C(=O)C3CCC3)CC2)cc1=O 219216930 YZERPOBMFZXTPR-UHFFFAOYSA-N 276.340 0.229 0 50 CCAA NC1C[C@@H]2CCC[C@H](C1)C2NC(=O)C(=O)N1CCCC1 334986219 JKZOBFMJASMDCV-MPEURRAXSA-N 279.384 0.631 0 50 CCAA O[C@]1(CN2CCCC2)COCCN(c2nccs2)C1 77521231 VKECLTLGESHQRI-ZDUSSCGKSA-N 283.397 0.807 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2cccc3c2OCO3)N(C)C1 331473723 FPKCXZXQSMQYSF-RYUDHWBXSA-N 292.335 0.751 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1C(=O)CC1CCOCC1 375064552 JRUJFCSFNHSNJP-RYUDHWBXSA-N 258.337 0.962 0 50 CCAA O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)C1(O)CCC1 375683051 NMYOWSNYVXIGNP-QWRGUYRKSA-N 294.330 0.425 0 50 CCAA O[C@@H]1[C@H]2O[C@@H]3O[C@@H]([C@@H]2OCc2ccccc2)[C@]2(CO2)[C@@H]1O3 216539402 NSMIJPILAKVWIL-RYNURCMISA-N 292.287 0.182 0 50 CCAA Cc1[nH]ccc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C 220160566 MHWSYDYPMJOJPB-YVECIDJPSA-N 263.341 0.770 0 50 CCAA Cn1cc(NC(=O)c2ccc(-n3cnnn3)cc2)cn1 47536781 ORBAQGUODRMNIE-UHFFFAOYSA-N 269.268 0.648 0 50 CCAA Cn1c(=O)nc(O)c2nc(/C=C/c3ccco3)c(O)nc21 328599431 RWAKRCXDZXDEAY-SNAWJCMRSA-N 286.247 0.898 0 50 CCAA Cc1ccsc1C(=O)N1CCN2C(=O)NC[C@@H]2C1 176249004 FLEJEKLMTSXTJB-SECBINFHSA-N 265.338 0.906 0 50 CCAA Cc1n[nH]c(C)c1[C@H](N)C(=O)NCCCc1ncc[nH]1 220487578 DQMBFYFGABQZOM-LBPRGKRZSA-N 276.344 0.498 0 50 CCAA COc1ccc(N2C[C@H](C(=O)O)CC2=O)c(OC)n1 199336525 PSOGIFXWRNLSAC-SSDOTTSWSA-N 266.253 0.536 0 50 CCAA Cc1nc(NCCOCCO)cc([C@H]2CCOC2)n1 426424424 XLGOKVGYTSANCH-NSHDSACASA-N 267.329 0.710 0 50 CCAA CCc1cc(NC[C@@H](O)CN2CCCC2)ncn1 95371407 CDOLQPKSQBOSST-GFCCVEGCSA-N 250.346 0.908 0 50 CCAA COC(=O)[C@@H](NC(=O)[C@H](N)CC(F)F)C(C)C 336721944 SOQGJAPSTSHMBN-SVRRBLITSA-N 252.261 0.283 0 50 CCAA CC(C)N1CCC[C@@H](C(=O)NCCCn2cnnc2)C1 95497215 MBMIRPJTUCHUJB-CYBMUJFWSA-N 279.388 0.905 0 50 CCAA Cc1ccc(NC(=O)CCN2CC[C@](O)(CO)C2)cc1F 244633232 FZKGZUQGSBMOKR-OAHLLOKOSA-N 296.342 0.892 0 50 CCAA COCc1nc(CNc2cc([C@H]3C[C@@H](O)C3)ncn2)no1 243892930 AMDQJCVNVSLCPJ-DTORHVGOSA-N 291.311 0.856 0 50 CCAA COc1c[nH]c(C(=O)NCCc2nc(C)no2)cc1=O 604418742 VOTJHFYHQHLWKW-UHFFFAOYSA-N 278.268 0.047 0 50 CCAA NC(=O)c1ccc(N2CCN(C(=O)C3CCC3)CC2)nc1 298788176 YBHZXOVUHUJGGW-UHFFFAOYSA-N 288.351 0.629 0 50 CCAA CC(C)N(CC(=O)O)S(=O)(=O)N1CCC[C@H]1C 262453756 RHLUAAQWPUDYAZ-SECBINFHSA-N 264.347 0.511 0 50 CCAA CNC[C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 299739808 RNGCSZNATFOLTQ-CHWSQXEVSA-N 253.390 0.929 0 50 CCAA c1nc(N2C[C@@H]3NCCO[C@H]3C2)c2ccsc2n1 534674798 QOHBCUUKRQTRRO-UWVGGRQHSA-N 262.338 0.868 0 50 CCAA Nc1ccc(O)cc1C(=O)NCCN1CCC[C@H](CO)C1 828711169 MQRQCDOTPTYARE-NSHDSACASA-N 293.367 0.409 0 50 CCAA CCCn1nccc1C(=O)NCCN1CCCC[C@@H]1CO 670474136 LHCMVXOZKLHFTA-CYBMUJFWSA-N 294.399 0.870 0 50 CCAA CCNc1ncc(CN2C[C@H](O)[C@@H](OC)C2)cn1 670441514 BLXRHHXGXYMZDD-QWRGUYRKSA-N 252.318 0.100 0 50 CCAA O=C(NOC[C@H]1CCOC1)[C@@H]1OC[C@@H]2COCC[C@@H]21 1337233614 CAAKLLBKGNRJCC-FIQHERPVSA-N 271.313 0.122 0 50 CCAA CCOC[C@H]1CCCN(C(=O)[C@@H]2COCCN2)C1 236978391 ZJTVAZOFGXWSHG-RYUDHWBXSA-N 256.346 0.250 0 50 CCAA O=C(NCc1cccc(F)c1)N[C@H]1CCNC[C@@H]1O 1565510761 IOHMKFYZJRMUDB-RYUDHWBXSA-N 267.304 0.348 0 50 CCAA NC(=O)[C@@H]1CCN(c2ncc(C(=O)O)cc2Cl)C1 300529478 IRDZLULCAVQKTQ-ZCFIWIBFSA-N 269.688 0.745 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1cncnc1N 277360614 OPQPOCRIXQNCCN-WDEREUQCSA-N 264.329 0.880 0 50 CCAA COC(=O)[C@H](NCc1ccccc1OC)[C@@H](C)O 170606979 YOAVUFRRVSGUKQ-BXKDBHETSA-N 253.298 0.707 0 50 CCAA CC(C)N1C(=O)CN(C(=O)CCC(=O)O)CC1(C)C 574571199 AJYHZTXIJWGVFN-UHFFFAOYSA-N 270.329 0.709 0 50 CCAA C[C@H](NC(=O)c1cn(C(C)(C)C)nn1)c1nc[nH]n1 188525269 LVMIJKNSNPHKJA-ZETCQYMHSA-N 263.305 0.642 0 50 CCAA CC/C=C/C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 584906948 PBQNXKLMSTZTNK-VUUYWXRKSA-N 279.384 0.893 0 50 CCAA COC(=O)C[C@@H](NC(C)=O)C(=O)N(C)c1ccsc1 585127423 ZYNACRIRZTXAFQ-SNVBAGLBSA-N 284.337 0.779 0 50 CCAA COC(=O)c1n[nH]cc1NC(=O)c1ccn(CC(F)F)n1 793870635 VQBZESFGGMXNBH-UHFFFAOYSA-N 299.237 0.910 0 50 CCAA C=CS(=O)(=O)CCN1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1615554651 YIPWDFMPOOJSDC-AVGNSLFASA-N 289.397 0.813 0 50 CCAA CN(C(=O)CN(C)S(C)(=O)=O)c1ccc(Cl)cn1 109731843 WGLMEHFSMKDMBG-UHFFFAOYSA-N 291.760 0.589 0 50 CCAA CCOc1ccc(S(N)(=O)=O)cc1NC(C)=O 6702019 BTNOBVQYEZHIHK-UHFFFAOYSA-N 258.299 0.691 0 50 CCAA CCOCCN1CCN([C@H](CC)C(N)=O)C[C@H]1CC 241588370 PCNBRQKRFOBSIE-CHWSQXEVSA-N 271.405 0.683 0 50 CCAA Cc1cc(CN(C)C(=O)[C@H]2C[C@@H](N)[C@H](O)C2)on1 1857718594 MCSGMAZFGZNKCK-JMJZKYOTSA-N 253.302 0.040 0 50 CCAA O=C1CN(Cc2ncc[nH]2)C[C@H](O)CN1C1CCCCC1 14744443 FQCTZBDFFVEYPZ-ZDUSSCGKSA-N 292.383 0.748 0 50 CCAA Cc1cnnc(N2CC[C@H](CS(N)(=O)=O)C2)c1C 1857731676 WSACHAYXSHSWGA-JTQLQIEISA-N 270.358 0.208 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H](N)C[C@H]1C 408519126 APLSFQPWJNOJKR-VOAKCMCISA-N 270.373 0.909 0 50 CCAA Cc1cnn(CCC(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)c1 1704325652 KWYBMBCPKDPJOK-KBPBESRZSA-N 292.383 0.371 0 50 CCAA Cc1c[nH]nc1CN1CCCC[C@H]1CS(N)(=O)=O 825118787 QFKIEQQPEDNCNQ-JTQLQIEISA-N 272.374 0.361 0 50 CCAA CC(=O)NC[C@@H]1CN(CCc2ccns2)CCO1 929667973 FHXPZTCPWRWWPS-LLVKDONJSA-N 269.370 0.523 0 50 CCAA C[C@H]1CN(C(=O)C(=O)Nc2cnsn2)C[C@@H]1C 839491331 GBVIMVCWGKVDEF-BQBZGAKWSA-N 254.315 0.591 0 50 CCAA CCOc1cc(N2CCN(C(N)=O)CC2)nc(C)n1 1119954289 PBWPUMZAZZFUBW-UHFFFAOYSA-N 265.317 0.384 0 50 CCAA C[C@@H](NC(=O)C12CC(C(=O)O)(C1)C2)C(=O)NC1CC1 1875272771 OFOPQRSKEIBBSJ-IASTZPEPSA-N 266.297 0.025 0 50 CCAA O=C(CCc1nnc(O)nc1O)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12 1875302180 CQEARFJLGCRAGW-GHCJXIJMSA-N 276.296 0.082 0 50 CCAA O=C1CC2(CN(C(=O)c3occc3F)C2)n2ccnc2N1 1875311860 OAZZNBNONRSWAK-UHFFFAOYSA-N 290.254 0.809 0 50 CCAA CCOC[C@@H](C)CS(=O)(=O)NCCc1cnoc1 877870778 FKTSRGPZBAIHHE-SNVBAGLBSA-N 276.358 0.809 0 50 CCAA O=S(=O)(c1ncc[nH]1)N1CC(F)(F)OC(F)(F)C1 1775987089 YJNCNQJGXZKNPG-UHFFFAOYSA-N 289.210 0.616 0 50 CCAA N[C@@H]1C[C@H](NC(=O)COCc2ccccn2)C12CCC2 1775961405 YILJXPRGBQITFA-OLZOCXBDSA-N 275.352 0.984 0 50 CCAA COC(=O)CCNC(=O)c1[nH]nc2c1CCCC2 19952828 UTVVMDXXMCEIQG-UHFFFAOYSA-N 251.286 0.581 0 50 CCAA c1ncn(C[C@H]2CN(C[C@H]3CCCCO3)CCO2)n1 253588418 BSLZZOFCKBFXRT-CHWSQXEVSA-N 266.345 0.548 0 50 CCAA O=C(O)CC1(NC(=O)c2cnsn2)CCOCC1 262500251 NKTBSYNOXADPAT-UHFFFAOYSA-N 271.298 0.292 0 50 CCAA CCn1ncnc1CNC(=O)c1ccc(=NC)[nH]c1 355495668 JAVMNOXSPDKUDN-UHFFFAOYSA-N 260.301 0.087 0 50 CCAA Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@H](N)C3)C2=O)cc1 132699210 FASWWUGBENMMPE-JSGCOSHPSA-N 287.363 0.908 0 50 CCAA CCOC(=O)c1ccc2c(c1)[n+](CCO)c(C)n2CCO 262673 XKUNENGEWIWULA-UHFFFAOYSA-N 293.343 0.399 0 50 CCAA O=c1c[n+]([O-])c2ccccc2n1OCc1ccccn1 619121 YUZCUBTZYUUDMA-UHFFFAOYSA-N 269.260 0.659 0 50 CCAA COc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1 2999311 JIONQSZEEABCGI-UHFFFAOYSA-N 276.292 0.904 0 50 CCAA C[C@@H]1CN(c2cncc(OCCO)n2)C[C@@]1(C)CN 420276688 GWEMUWIWATXUTJ-ZWNOBZJWSA-N 266.345 0.269 0 50 CCAA CC(=O)N1CCC(N(C)C[C@H]2CCCN(CCO)C2)CC1 65409304 BAXPOTXNADESQM-OAHLLOKOSA-N 297.443 0.633 0 50 CCAA Cc1ccccc1NC(=O)C[C@@H](NCCN(C)C)C(=O)O 20362803 BZXYZYUZPIVCFH-CYBMUJFWSA-N 293.367 0.928 0 50 CCAA Cc1nc2c(c(NCCN3CCOC3=O)n1)CNC2 72143826 QRDWAQDUDXQDSI-UHFFFAOYSA-N 263.301 0.252 0 50 CCAA C[C@H](NC(=O)CCn1nnc2ccccc21)C(=O)N(C)C 67804835 YWJAVHUYOQFGJC-JTQLQIEISA-N 289.339 0.414 0 50 CCAA CN(C)CCCCc1nc2c([nH]1)CCCNC2=O 215358904 INJAISTWFQGZGC-UHFFFAOYSA-N 250.346 0.970 0 50 CCAA Cc1ccc(NC(=O)CCNC(=O)c2n[nH]c(N)n2)cc1 71775824 RGXQASGRDOVJGY-UHFFFAOYSA-N 288.311 0.454 0 50 CCAA COc1cc(N2C[C@H](O)[C@@H](N3CCCC3)C2)ncn1 65507816 HYUIHXZHPVZEKU-QWRGUYRKSA-N 264.329 0.131 0 50 CCAA COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1F 35775331 OJQXDQBEJRCQIW-UHFFFAOYSA-N 288.344 0.770 0 50 CCAA O=C(NCCSc1cnn[nH]1)c1ccn(C(F)F)n1 219912986 WOJMKUZWGWSBRG-UHFFFAOYSA-N 288.283 0.918 0 50 CCAA CN(C[C@@H]1CCc2nccn2C1)C(=O)Nc1ccn(C)n1 328630670 QDMNEBDDXBJXLH-NSHDSACASA-N 288.355 1.343 0 50 CCAA COC(=O)N1CCN(Cc2cc3n(n2)CCCNC3)CC1 72162457 UDAAOLNYZUMVOB-UHFFFAOYSA-N 293.371 0.260 0 50 CCAA CC1(O)CC(C(=O)N2CCC[C@H](Cn3ccnn3)C2)C1 450197867 GRDLQOGZDDZWEH-DCBWTQNWSA-N 278.356 0.678 0 50 CCAA CC(C)S(=O)(=O)CCNC(=O)CCc1cnn(C)c1 215184588 FZDKMPAODWBRSC-UHFFFAOYSA-N 287.385 0.292 0 50 CCAA Cc1cc(CS(=O)(=O)N2CC[C@H](N3CC=CC3)C2)on1 330113733 DGUKGBHXXLXJAY-LBPRGKRZSA-N 297.380 0.759 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCN([C@H]2CCOC2)CC1 367170846 DLKJVYAEBAMDRS-LBPRGKRZSA-N 263.341 0.870 0 50 CCAA O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@@H]1COCCN1 262635118 OACFSOHMEVXXCR-RYUDHWBXSA-N 284.743 0.478 0 50 CCAA O=C(NC1CC1)[C@H]1CCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1NC2 333625921 ZHYOEONKZWHJAK-YXCITZCRSA-N 291.395 0.644 0 50 CCAA O=C([C@H]1COCCN1)N1CCO[C@H](c2ccccc2F)C1 237876902 KECRAOCAUAHJFM-KGLIPLIRSA-N 294.326 0.714 0 50 CCAA COc1ccc(-c2nc(N)c3cnn(C)c3n2)c(OC)n1 426486136 YYCFHTQBEZNJLA-UHFFFAOYSA-N 286.295 1.025 0 50 CCAA CC(C)c1cc(CN(C)C(=O)CN(C)CCO)no1 426661405 WWWCPPINHXUUSZ-UHFFFAOYSA-N 269.345 0.681 0 50 CCAA O=C(NCCO)NCCCc1nc2ccc(F)cc2[nH]1 426477150 CNAATRKSKGPXSN-UHFFFAOYSA-N 280.303 0.926 0 50 CCAA CN(Cc1nnc[nH]1)[C@H]1CCCN(c2ccn(C)n2)C1=O 177145945 PIGJZSLFGKCDDX-JTQLQIEISA-N 289.343 0.166 0 50 CCAA C[C@@H]1CCCCN1C1CN(C(=O)Cc2nc(O)n[nH]2)C1 426498792 YCWLPBBZGLYYND-SECBINFHSA-N 279.344 0.138 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)c2[nH]cnc2C)C1 91664856 QAURZEQFVGFCJV-AWEZNQCLSA-N 281.356 0.969 0 50 CCAA Cc1cc(C(=O)N[C@H](CC(=O)O)CC(C)C)nc(N)n1 426444840 BMVKYGZUDPCFEU-VIFPVBQESA-N 280.328 0.986 0 50 CCAA Cn1c(=O)[nH]c2ccc(C(=O)NCC3CCNCC3)cc21 297299000 VJBQNMPKNJINRP-UHFFFAOYSA-N 288.351 0.596 0 50 CCAA C[C@@H](NC(=O)[C@@H](C)OC[C@H]1CCCCO1)C(=O)O 299751898 SGFDBDXBIHZALF-OPRDCNLKSA-N 259.302 0.550 0 50 CCAA C[C@@H](OCC1CC1)C(=O)N1CCO[C@H](CC(=O)O)C1 299748244 GOLJMZOKYYFGDA-MWLCHTKSSA-N 271.313 0.504 0 50 CCAA CC(=O)NCCNC(=O)N[C@H](c1nccn1C)C(C)C 534675156 VGZWWRKXJYZXJB-NSHDSACASA-N 281.360 0.553 0 50 CCAA CC(C)n1cnnc1[C@@H](C)NC(=O)CCC(=O)O 299769020 IBXBJSSQSWSBGU-MRVPVSSYSA-N 254.290 0.901 0 50 CCAA CCN(Cc1noc(C)n1)C[C@H]1CC(=O)N(CCOC)C1 299788774 VJNYNIBUXOWKED-GFCCVEGCSA-N 296.371 0.695 0 50 CCAA O=C1N[C@@H](C(=O)NCC2CCOCC2)Cc2ccccc21 299778127 OXKDLGKQJMTUJA-CQSZACIVSA-N 288.347 0.884 0 50 CCAA CCn1ncc(CN(C)S(=O)(=O)N2CCCC2)c1C 823603390 DLEIQGZKRRDJFS-UHFFFAOYSA-N 286.401 0.984 0 50 CCAA Cc1cnc(CN(C)C(=O)N[C@@H](C(=O)N(C)C)C(C)C)[nH]1 584887331 BMZBBICRBMWNBJ-GFCCVEGCSA-N 295.387 0.972 0 50 CCAA CCC1(CNC(=O)N2CC3(C2)NC(=O)NC3=O)CCC1 1341482340 JNCFBNNFIMNGPK-UHFFFAOYSA-N 280.328 0.170 0 50 CCAA CCn1cc(CC(=O)N[C@@H]2C[C@@H](N)C23CCC3)cn1 1514665133 REVIPQYTACVNFU-VXGBXAGGSA-N 262.357 0.832 0 50 CCAA NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 55062881 DDFDDDOTWQGWPW-UHFFFAOYSA-N 253.733 0.947 0 50 CCAA Cc1cc(C(=O)N[C@H](C(=O)N(C)C)C(C)C)nc(C)n1 952973384 ITGXFLAZQWUNNQ-LBPRGKRZSA-N 278.356 0.936 0 50 CCAA OC[C@H]1C[C@@H](CN2CCOCC2)CN(Cc2cnc[nH]2)C1 1565526639 BBTYWSXIXNXSIP-KBPBESRZSA-N 294.399 0.172 0 50 CCAA CNc1ncccc1C(=O)NCCN1C(=O)CCCC1=O 405346803 VCOHCXAUBNIEGH-UHFFFAOYSA-N 290.323 0.392 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cncc2ncn(C)c12 630391992 IDOQGUXVCBTBEA-WCBMZHEXSA-N 287.323 0.365 0 50 CCAA Cc1ncsc1-c1nc(-c2cn(C)c(=O)[nH]c2=O)no1 170615414 GBYGZMDRYDUCCS-UHFFFAOYSA-N 291.292 0.556 0 50 CCAA COC[C@]1(C)NC(=O)N(CCO[C@H]2CCCCO2)C1=O 170616328 RIEFIKKHKJCIHR-GWCFXTLKSA-N 286.328 0.487 0 50 CCAA O=C(NNc1ccc(F)c(F)c1F)[C@H]1COCCO1 170621148 SFSMINRXMGBAED-MRVPVSSYSA-N 276.214 0.962 0 50 CCAA C[C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1cccnc1 170613287 GSYZPLLRVWNJFA-UWVGGRQHSA-N 285.369 0.539 0 50 CCAA O=C(O)CNS(=O)(=O)c1cccc2c1OCCC2 650229932 RYOZUUQCVQEDDG-UHFFFAOYSA-N 271.294 0.375 0 50 CCAA CN(CCCO)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 585090659 LCELWRZGVHUOPZ-AWEZNQCLSA-N 288.388 0.673 0 50 CCAA Cc1c(NC(=O)[C@@H](N)CCCCN(C)C)cnn1C 1218504209 CWPLNIXSNVQJJP-NSHDSACASA-N 267.377 0.726 0 50 CCAA CN(CCCC(=O)O)C(=O)c1nc[nH]c2nccc1-2 659120367 LEKMKDGQMQYONU-UHFFFAOYSA-N 262.269 0.846 0 50 CCAA Cn1ccn2ncc(C(=O)N[C@H]3CC=CC[C@@H]3C(N)=O)c12 1616067625 WNRCTXSCYOQXBZ-ONGXEEELSA-N 287.323 0.223 0 50 CCAA CCC1=NO[C@H](CNC(=O)CSc2nncn2C)C1 1506420954 CKCZFUNYWXISQN-VIFPVBQESA-N 283.357 0.578 0 50 CCAA O=C1CCCN1CCN1CCC(N2CCC[C@H](O)C2)CC1 1506422695 CCEPEXZSNCBEMT-HNNXBMFYSA-N 295.427 0.530 0 50 CCAA Cn1c(CCC(=O)N[C@H]2CC[C@H](N)C2)nc2cccnc21 213306775 FYHWGTWTOKOVCZ-QWRGUYRKSA-N 287.367 0.897 0 50 CCAA CCc1nccn1CCC(=O)N1CC[C@@H](CO)[C@@H](O)C1 216989817 ZVSZHBANHXFIPT-RYUDHWBXSA-N 281.356 0.037 0 50 CCAA CN(C)S(=O)(=O)CCC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2 225426065 SYBGGFGFUACNPP-SDDRHHMPSA-N 288.413 0.820 0 50 CCAA Cc1cc(C[C@@H]2CN(c3cc(N)ncn3)C[C@@H]2O)on1 1704307090 SXEVEKNEDAOYSE-KOLCDFICSA-N 275.312 0.395 0 50 CCAA C[C@@H]1CC[C@H](CCC(=O)N2CCO[C@H](C(=O)O)C2)O1 263066438 YXXYTBWJIZWYNL-MXWKQRLJSA-N 271.313 0.646 0 50 CCAA Cc1nc(N)[nH]c1C(=O)N1CCO[C@H](c2cccnc2)C1 1775980481 BUECSOHXLBRHFZ-NSHDSACASA-N 287.323 0.909 0 50 CCAA CC1(C)COCCN1CCNC(=O)c1cnn2c1CCC2 333519633 GSUJVJIABGVANK-UHFFFAOYSA-N 292.383 0.670 0 50 CCAA CC(C)(O)CN(CC(=O)N1CCOC[C@H]1C1CC1)C1CC1 364443453 PVDVTHMDNXKPBX-AWEZNQCLSA-N 296.411 0.859 0 50 CCAA CCOCC(=O)N1C[C@@H](COC)[C@H](c2cnn(C)c2)C1 585655719 TYOOVKAFFPQGOA-STQMWFEESA-N 281.356 0.645 0 50 CCAA CC(=O)N1CCC[C@@H](C(=O)OCc2nnc(C)cc2O)C1 802173895 SYADJQLRYFFFII-LLVKDONJSA-N 293.323 0.792 0 50 CCAA CCS(=O)(=O)CCn1cnc2onc(C)c2c1=O 871989552 ONPOBHXLADKYAB-UHFFFAOYSA-N 271.298 0.128 0 50 CCAA Cc1nn(Cc2nnn(C)n2)c(C)c1[C@@H]1COCCN1C 952893870 LFDQQZDRNBGGJC-NSHDSACASA-N 291.359 0.075 0 50 CCAA Cc1cc(NC(=O)NCCN2CCNC2=O)on1 1875270267 JZVBBVJMWIWKNN-UHFFFAOYSA-N 253.262 0.130 0 50 CCAA NC(=O)[C@H]1CN(c2cc(Br)ccn2)CCN1 1875286563 YEZSPALTTGMVLD-MRVPVSSYSA-N 285.145 0.108 0 50 CCAA CNC(=O)NCC(=O)N1CC[C@H](C(F)(F)F)C1 888015209 GJWBPJGJOSMVEG-LURJTMIESA-N 253.224 0.326 0 50 CCAA CC(C)c1nc(CNC(=O)[C@@H]2C[C@H](O)CN2)cs1 236841871 ADDAGWYQUKNMLO-UWVGGRQHSA-N 269.370 0.606 0 50 CCAA Cc1nnc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)s1 169296789 NQNCLYCHYSUUSL-XUTVFYLZSA-N 281.293 0.439 0 50 CCAA COc1ccnc(N2CCN([C@@H]3CCCOC3)CC2)n1 670474314 HOESGMMYIAYSCA-GFCCVEGCSA-N 278.356 0.786 0 50 CCAA COCC[C@@H]1CN(CCN2CCCC2=O)CCO1 670433968 AZVUXTIKFLTYBS-GFCCVEGCSA-N 256.346 0.346 0 50 CCAA Cc1n[nH]cc1C(=O)N1CCN([C@H]2CCSC2)CC1 370361504 GNPIYSWBVKRDHH-NSHDSACASA-N 280.397 0.981 0 50 CCAA Cn1nnnc1N1CC=C(C2(C(=O)O)CCC2)CC1 2325777321 VSVFIECLOHAQFC-UHFFFAOYSA-N 263.301 0.602 0 50 CCAA Cn1ncc(CC(=O)NC[C@@H]2OCc3ccccc32)n1 2325804801 RMDYBJONQPAFIH-ZDUSSCGKSA-N 272.308 0.745 0 50 CCAA CN(C(=O)N[C@@H]1C(=O)NCC12CCOCC2)C1CCCC1 885605963 YRUQAGHVPOVNRC-GFCCVEGCSA-N 295.383 0.866 0 50 CCAA CNCCNS(=O)(=O)c1cccc2cnccc12 2043206 PJWUXKNZVMEPPH-UHFFFAOYSA-N 265.338 0.733 0 50 CCAA in-vivo OCCN(CCO)c1nc(N2CCCCC2)ncc1F 4006251 FDCRYWZEXQCMSB-UHFFFAOYSA-N 284.335 0.397 0 50 CCAA NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1 114990116 HYTSWLKLRKLRHK-NEPJUHHUSA-N 275.308 0.872 0 50 CCAA COc1ccc(CN2CCN(CCO)CC2)cc1 23114737 RUQSUWIPDMGKRC-UHFFFAOYSA-N 250.342 0.805 0 50 CCAA COCC1(C(=O)NCCN2CCOC2=O)CCC1 65385879 GQEJXSBQESKFLY-UHFFFAOYSA-N 256.302 0.372 0 50 CCAA COc1cc(CN2CC[C@@](N)(C(=O)O)C2)cc2c1OCO2 67490929 AMEAQXOWPDKLFO-AWEZNQCLSA-N 294.307 0.412 0 50 CCAA Cc1nc(N)ncc1C(=O)N1CCN2CCC[C@H]2C1 216965006 HLONSLMCICIGSW-JTQLQIEISA-N 261.329 0.287 0 50 CCAA OCc1cn([C@H]2CCCN(CC[C@H]3CCCO3)C2)nn1 328795977 UKAXBDAAEHPZCU-UONOGXRCSA-N 280.372 0.976 0 50 CCAA Cn1ccnc1[C@H]1CCN(c2nccn(C)c2=O)C1 328797910 WEWBNFBRFKXSKV-JTQLQIEISA-N 259.313 0.508 0 50 CCAA CN1CC[C@H](N(C)C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)C1=O 332831947 AKLLQGJMIMOTFB-RWMBFGLXSA-N 295.383 0.816 0 50 CCAA CNC(=O)c1ccc(N2CCC[C@H](OC)CC2)nn1 363668955 BLFKUBQTDVPWLM-JTQLQIEISA-N 264.329 0.842 0 50 CCAA CN1CCC(c2nnc(CN(C)CCO)n2C)CC1 77505766 CEPLXAXZRNYBIP-UHFFFAOYSA-N 267.377 0.048 0 50 CCAA Cc1nnc(CCNC(=O)[C@H](O)CC(C)C)s1 216002296 SHDNTJMLIFABLL-SECBINFHSA-N 257.359 0.912 0 50 CCAA Cc1noc(C)c1CCNC(=O)[C@H]1NCCO[C@@H]1C 261959135 PHQRWASUMWWQAI-PWSUYJOCSA-N 267.329 0.327 0 50 CCAA O[C@]1(Cn2ccnn2)CCCN(CCc2ccccn2)C1 284544399 KZEGXGYVPHXZQH-OAHLLOKOSA-N 287.367 0.743 0 50 CCAA COc1cc(Cl)c(CN2C[C@@H](N)[C@H](O)C2)c(OC)c1 426433722 YKCZZRINDBLPRP-VXGBXAGGSA-N 286.759 0.861 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)CCc1nncn1C 426693939 ZKAKVYZFLSDZHQ-JTQLQIEISA-N 291.359 0.627 0 50 CCAA COCC1(CNC(=O)c2cncc(=O)[nH]2)CCCC1 426369907 HRJXFMRTMJDVJR-UHFFFAOYSA-N 265.313 0.707 0 50 CCAA Cc1nc(CN2CC(=O)N(C)c3ccccc3C2=O)no1 95501981 VGFHDZVAMQNGQO-UHFFFAOYSA-N 286.291 0.997 0 50 CCAA Cc1cnc(N)nc1NCCS(=O)(=O)C(C)C 92097814 ULPSUNFZJSLRSJ-UHFFFAOYSA-N 258.347 0.602 0 50 CCAA NC(=O)Cn1ccnc1[C@H]1CCCN(c2ncccn2)C1 95521746 LASCMMPAIXHOEN-NSHDSACASA-N 286.339 0.542 0 50 CCAA CCc1nc(CN(C)Cc2nnc(CC)o2)n[nH]1 244748628 OLLUPVFQGBZNAH-UHFFFAOYSA-N 250.306 0.945 0 50 CCAA Nc1nc(N[C@H]2CC[C@H](O)CC2)cc([C@H]2C[C@@H](N)C2)n1 241081922 YSOQKLQFLKPDLV-BIBSGERRSA-N 277.372 0.979 0 50 CCAA Cc1ccc(C(=O)NCCn2cccn2)cc1-n1cnnn1 253407062 JMXVWWMUQDIOAN-UHFFFAOYSA-N 297.322 0.597 0 50 CCAA CN(CCN(C)C1CCCC1)C(=O)C[C@@H]1CNCCO1 534581914 HBYAVJWNARAGHO-CQSZACIVSA-N 283.416 0.698 0 50 CCAA Cc1nn(CCC(=O)NCc2nnc(N)s2)c(C)c1C 534647361 RTULSJDMPYXLIV-UHFFFAOYSA-N 294.384 0.949 0 50 CCAA Cc1nc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)co1 299799251 RRIXWJFTVUNPOE-QWHCGFSZSA-N 275.312 0.920 0 50 CCAA C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCNCC2 299778083 PQJYYLOLUPUFHD-JTQLQIEISA-N 293.371 0.028 0 50 CCAA CN(Cc1n[nH]c(=O)[nH]1)c1cc([C@@H]2CCOC2)ncn1 299783734 XXQQKLLTWZXAIU-MRVPVSSYSA-N 276.300 0.028 0 50 CCAA COCCn1cncc1CN[C@H](C)Cn1ccnc1 824466092 GGTZJOVKZAPVRF-GFCCVEGCSA-N 263.345 0.904 0 50 CCAA CO[C@H]1COCC[C@@H]1NS(=O)(=O)c1cccnc1 824506339 CDLKGOLJAJEEAE-QWRGUYRKSA-N 272.326 0.164 0 50 CCAA CN1CCCNC(=O)C12CCN(C[C@@H]1CCOC1)CC2 823778349 ICUAHNZLQQVEGO-ZDUSSCGKSA-N 281.400 0.309 0 50 CCAA CC(C)C[C@@H](NC(=O)CNS(C)(=O)=O)c1cccnc1 670447551 LHIOGSBDBKLPPV-GFCCVEGCSA-N 299.396 0.834 0 50 CCAA CSCc1noc(CNC(=O)C2=C(C)OCCO2)n1 952973138 XNWVMIJYMKMYEK-UHFFFAOYSA-N 285.325 0.827 0 50 CCAA COC(=O)c1c(OC)nsc1CN1CC(=O)N[C@@H](C)C1 1462262467 MZCJXTHVTBFPSL-ZETCQYMHSA-N 299.352 0.259 0 50 CCAA CC(=O)N[C@H](CC(=O)N1CC(O)C1)c1c(F)cccc1F 305106354 DDMLSOCPVROYLP-GFCCVEGCSA-N 298.289 0.735 0 50 CCAA Cc1nc(CN2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)no1 408473591 BQPKUYNHLBEBKV-ZYHUDNBSSA-N 294.355 0.305 0 50 CCAA Cn1cc(C(=O)NC[C@H]2CCc3nccn3C2)cn1 276240916 KSOBSNRDGMWFJS-SNVBAGLBSA-N 259.313 0.609 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)[C@H](N=c2ccc3ncc[nH]c-3n2)C1 662896802 PPSGRBYOZMCCOO-FXBDTBDDSA-N 274.280 0.034 0 50 CCAA Cc1cncc(C(=O)N2CCC[C@](O)(CC(N)=O)C2)c1 644002034 BQGRZLVTQBYRJV-AWEZNQCLSA-N 277.324 0.233 0 50 CCAA C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@@H]1C(=O)O 648450878 QYJNJKKCCKJZOE-MWLCHTKSSA-N 280.280 0.161 0 50 CCAA NC(=O)NC1CCN(C(=O)[C@@]2(C(=O)O)CC=CCC2)CC1 653301444 WKEANOLQLHODNI-CQSZACIVSA-N 295.339 0.457 0 50 CCAA O=C(O)[C@H]1CCN(CCOCc2ccccc2)C[C@H]1O 1704304056 KLFJXNDCDPEYLS-UONOGXRCSA-N 279.336 0.971 0 50 CCAA Cn1cc(CC(=O)N2CCCO[C@H](CF)C2)cn1 1614648255 HLZXRKPDPYXYHM-LLVKDONJSA-N 255.293 0.550 0 50 CCAA Cc1cc(C)n(C[C@H](C)N2CCN(CC(=O)O)CC2)n1 1506404083 FQMFKVZFOQIUEV-ZDUSSCGKSA-N 280.372 0.591 0 50 CCAA C[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)CCCO1 332019638 QQBLBRLLADVRKQ-SECBINFHSA-N 263.359 0.447 0 50 CCAA CN1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 34867475 YEKKOBZSGMPECJ-UHFFFAOYSA-N 255.343 0.205 0 50 CCAA in-vitro CC(=O)NCCNC(=O)C1(N(C)C)Cc2ccccc2C1 12316058 ITSNJUAAHHEBHO-UHFFFAOYSA-N 289.379 0.338 0 50 CCAA CN(C)C(=O)c1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1 1857737117 YABRTNFXLAVLIV-HUUCEWRRSA-N 292.379 0.564 0 50 CCAA CCc1ncnc(N2CC[C@](O)(Cn3ccnn3)C2)c1F 671466072 HQMWWHXEVSQJJJ-CYBMUJFWSA-N 292.318 0.411 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)Cc1ccc2c(c1)CCO2 262534496 TYSMLRKSIXWEIS-GFCCVEGCSA-N 291.303 0.476 0 50 CCAA CC(C)Cn1ncnc1CN[C@@H]1C[C@@H](O)C12CCOCC2 931787368 SUKGBLZXBGHSQV-CHWSQXEVSA-N 294.399 0.954 0 50 CCAA Cn1ncc2c1CCCN(C(=O)[C@H]1C[C@]13CCNC3)C2 952895382 UHUVBDXWVHUVPA-DOMZBBRYSA-N 274.368 0.695 0 50 CCAA N[C@@H]1[C@@H](C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)[C@H]2CCC[C@@H]12 1875305486 SQAYYLUYCUXFCB-QUTRTJBFSA-N 291.395 0.487 0 50 CCAA Cc1ccc(C(N)=O)c(NCC(=O)N=c2cc(C)o[nH]2)c1 1875342569 XVRIVZFFTHYUIH-UHFFFAOYSA-N 288.307 0.863 0 50 CCAA O=C(c1cn[nH]c1)N1CCOc2ccccc2[C@H]1CO 887109598 OTBPOKZLQLRXIA-GFCCVEGCSA-N 273.292 0.978 0 50 CCAA CN1CCn2nc(NC(=O)[C@@H]3C[C@@H]4C[C@@H](N)[C@@H]4C3)cc2C1 1775961250 JSGNEGQEGGNPFQ-FPQZTECRSA-N 289.383 0.640 0 50 CCAA COC(=O)[C@H]1CC[C@H]1C(=O)N1CCOCC2(CC2)C1 253419100 JXKDCRKEGZGTLQ-MNOVXSKESA-N 267.325 0.825 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CC[C@](C)(O)[C@H](O)C1 1565515976 KOMZPCGEBGUPIR-PWSUYJOCSA-N 272.732 0.636 0 50 CCAA COc1ccc([C@H]2NCCO[C@@H]2CO)cc1OC 1800410601 WWIBUUYWZIKFBE-CHWSQXEVSA-N 253.298 0.726 0 50 CCAA NCc1nccn1Cc1cn(-c2ccccc2)nn1 2325840285 WPYUJLDPEVJFJX-UHFFFAOYSA-N 254.297 0.971 0 50 CCAA COc1ccc(CNC(=O)[C@H]2CC(=O)N=C(N)S2)cc1 216135 GMOKAGTVXKQISY-SNVBAGLBSA-N 293.348 0.658 0 50 CCAA Cc1nc(CN2CCC[C@@]23CCCN(CCO)C3=O)n[nH]1 2356170001 QBXBPCOEXCVBPJ-CQSZACIVSA-N 293.371 0.062 0 50 CCAA CN1CCN(c2cnn(C[C@@H]3CCCO3)c(=O)c2)CC1 23505429 SRZDLRAKAQGKPB-ZDUSSCGKSA-N 278.356 0.174 0 50 CCAA Cc1cnn([C@H](C)[C@@H](C)NC[C@@H](O)CN2CCOCC2)c1 229570799 VOPQICIVIIFJFC-RBSFLKMASA-N 296.415 0.424 0 50 CCAA COCC(=O)Nc1cnn(CC2CCNCC2)c1 72343515 LQALKECMUFYPBN-UHFFFAOYSA-N 252.318 0.468 0 50 CCAA CCCC(=O)N1CCO[C@@H](CN(C)CC(=N)O)C1 328629813 IRFVSABBMBOYDO-JTQLQIEISA-N 257.334 0.481 0 50 CCAA Cc1ccc(C(=O)NCc2cn(CC(=O)O)nn2)s1 122838211 ICFNBHAFDPGOLN-UHFFFAOYSA-N 280.309 0.663 0 50 CCAA Cn1nnc2cc(C(=O)N3CCC[C@@](C)(O)CC3)cnc21 329981457 NGVZMRNTBRUUJW-CQSZACIVSA-N 289.339 0.740 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc(-n2cnnc2)cc1 262715990 RUSAHFUVQWFEQA-LBPRGKRZSA-N 286.291 0.957 0 50 CCAA O=C(N[C@H]1CCO[C@H]1C1CC1)N[C@@H]1CC[S@](=O)C1 332757278 QDGONMBKCBSZSK-UYLUIQCMSA-N 272.370 0.374 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCC(=O)N[C@@H]1C 282219352 UIVNBANBGSRBCI-KCJUWKMLSA-N 294.355 0.199 0 50 CCAA O=C(NCCc1ncc[nH]1)[C@@H]1CCCN1C1CCNCC1 139600399 PCQJHTRGWKYXHG-ZDUSSCGKSA-N 291.399 0.285 0 50 CCAA Cn1ncc2c(N3CC[C@]4(CNC(=O)C4)C3)ccnc21 287715202 KYFNBONYHOABCS-AWEZNQCLSA-N 271.324 0.685 0 50 CCAA CCOC(=O)CN(C(=O)[C@@H]1COCCO1)C(C)(C)C 241961401 USEUFMWPHPBDQI-JTQLQIEISA-N 273.329 0.592 0 50 CCAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)N1CCCCC1 131801610 HQFYUTYYNMAHOH-WDEREUQCSA-N 261.391 0.529 0 50 CCAA CC(C)Cc1cc(C(=O)NCCc2ncnn2C)n(C)n1 82109226 PXZUQSMGHOIMIU-UHFFFAOYSA-N 290.371 0.720 0 50 CCAA COCc1cc(CNC(=O)[C@@H](C)n2ccnc2)[nH]n1 426707491 VEUHHWVLRRNIJJ-SECBINFHSA-N 263.301 0.630 0 50 CCAA CCN1C[C@H](C(=O)NCCCc2cnn(C)c2)CC1=O 95383056 OVOACZLRSZDRAT-GFCCVEGCSA-N 278.356 0.337 0 50 CCAA C[C@](O)(CCCO)CNC(=O)c1cccc(C(=O)O)c1 97655430 SSYBXMCUSZXXNP-AWEZNQCLSA-N 281.308 0.638 0 50 CCAA COCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 245905541 LSCDNVFQFQNEMG-NWDGAFQWSA-N 255.362 0.759 0 50 CCAA CCc1nc(CN2CCc3[nH]nc(C(=O)O)c3C2)n[nH]1 252499216 RXGZJJZNJRPTHI-UHFFFAOYSA-N 276.300 0.347 0 50 CCAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)[C@@H]1C=CCN1 534646646 JUTZDCKSSLQMJS-ZDUSSCGKSA-N 292.383 0.311 0 50 CCAA c1cc2ccc(CN3C[C@@H]4NCCO[C@H]4C3)nc2[nH]1 534651048 ASUCRFSZSUPTKC-STQMWFEESA-N 258.325 0.736 0 50 CCAA CN(C[C@@H](O)CO)C(=O)NC/C=C/c1ccccc1 534579067 ZBOFPTQXYBHEJT-OQHXTRMZSA-N 264.325 0.694 0 50 CCAA O=C(COC[C@@H]1CCCO1)NC1(C(=O)O)CCCC1 299752038 SMIGNJSPHBKRMG-JTQLQIEISA-N 271.313 0.696 0 50 CCAA CCCc1nc(NC[C@@H]2CC(=O)N(CCOC)C2)no1 823023301 AVTBWLIVGHJTGF-JTQLQIEISA-N 282.344 0.929 0 50 CCAA Cc1cnc(CNC(=O)/C=C/c2cnc(N(C)C)nc2)cn1 828029665 LSWWYRMPAGAVDE-SNAWJCMRSA-N 298.350 0.971 0 50 CCAA CC[C@H](O)CN1CCC(CNC(=O)c2ccon2)CC1 822603776 ZIIZGWZYMINAFR-LBPRGKRZSA-N 281.356 0.887 0 50 CCAA CNC(=O)c1cccc(Cn2cnc3nccnc3c2=O)c1 584891600 SOZLPLSVZQTYQL-UHFFFAOYSA-N 295.302 0.594 0 50 CCAA O=C([C@H]1NCCc2nc[nH]c21)N1CCC2(CCCO2)CC1 584903855 CYESVMYREYQGHO-ZDUSSCGKSA-N 290.367 0.768 0 50 CCAA CC(C)c1nc(CNS(=O)(=O)N(C)C(C)C)no1 670468953 ZSYMEIGKMZPSDQ-UHFFFAOYSA-N 276.362 0.868 0 50 CCAA CSCCC(=O)N1CCC[C@](CO)(CN(C)C)C1 670463541 OSKBEZOMEQVYMX-ZDUSSCGKSA-N 274.430 0.902 0 50 CCAA CSCC(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1075989238 ZQJSXILOWLKNIQ-ZJUUUORDSA-N 268.342 0.313 0 50 CCAA COCCN1CC(=O)N([C@@H]2CSC[C@@H]2C)C1=O 408517058 ZVYYIOAVAISROD-DTWKUNHWSA-N 258.343 0.649 0 50 CCAA O=C1CNC(=O)N1CCN1CCOc2c1ccc(F)c2F 408521092 IDXPZBBMTMLTEG-UHFFFAOYSA-N 297.261 0.715 0 50 CCAA NC(=O)[C@H]1COCCN1c1ncnc2ccsc12 273374224 SBBCMCUTORCVBE-MRVPVSSYSA-N 264.310 0.382 0 50 CCAA COC[C@@H](C)C(=O)NS(=O)(=O)c1sc(C)nc1C 170650526 JATGGFYOHMGHOY-ZCFIWIBFSA-N 292.382 0.847 0 50 CCAA C=CC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 585124733 PQGGBMSLBIIFRU-NSHDSACASA-N 289.401 0.243 0 50 CCAA C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)c1ccn(C)n1 585126707 GPOSOWKFRMULSV-KXUCPTDWSA-N 264.329 0.500 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)[C@@H](C)n1cccn1 643853133 SWHZPCWCBGZICN-ZWNOBZJWSA-N 281.312 0.536 0 50 CCAA O=C(CN1CCOC[C@@]12CCOC2)NCc1ccco1 193734527 AXWRMRGJZQNXLO-AWEZNQCLSA-N 280.324 0.387 0 50 CCAA CCN1CN(S(=O)(=O)c2cc(C)ccc2OC)CC1=O 195471090 HEXMFXIPIBBBAQ-UHFFFAOYSA-N 298.364 0.814 0 50 CCAA CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC1CC(OC)C1 656857749 QZQVFOCBFVVKLW-RJVJFLMVSA-N 292.383 0.990 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)c1cc3cccn3cn1)C2 1615545403 HEXZWIRYCONGNM-HZMBPMFUSA-N 256.309 0.898 0 50 CCAA Cn1nc(CNC(=O)[C@]23CNC[C@H]2COC3)cc1C1CC1 1615546136 KAGRQNQGXOAHLD-NHYWBVRUSA-N 290.367 0.150 0 50 CCAA Cn1c(=O)[nH]c(=O)c2[nH]c(-c3cccc(O)c3)nc21 1069683 HCKJXNULRIWTRT-UHFFFAOYSA-N 258.237 0.323 0 50 CCAA CNC(=O)[C@H](NC(=O)c1nccn1C)c1ccccc1 1506398127 GZFIKIYAGOXYLI-LLVKDONJSA-N 272.308 0.637 0 50 CCAA Cn1ccnc1S(=O)(=O)n1nnc2ccccc21 12957947 KDGLMFWCSIJBNN-UHFFFAOYSA-N 263.282 0.402 0 50 CCAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)C)c1 13322837 OTDNFVIWYLNJCA-UHFFFAOYSA-N 294.307 0.760 0 50 CCAA CC(C)N(CCN[C@H]1CCS(=O)(=O)C1)C(C)C 19803686 SNPWZMCAOWAXOA-LBPRGKRZSA-N 262.419 0.882 0 50 CCAA Cc1cc2c(cn1)CN(C(=O)c1cn3c(n1)CCNCC3)C2 1857736000 LGEKVVURLVFPJR-UHFFFAOYSA-N 297.362 0.888 0 50 CCAA Cc1cc(C(=O)NC[C@H](C(=O)O)C2CCC2)nn1C 663148279 ASJZIXJSIQYYQG-JTQLQIEISA-N 265.313 0.959 0 50 CCAA CCNC(=O)NC(=O)CNc1cc(CO)ccc1C 253418988 GKFSRZWSEZOOCY-UHFFFAOYSA-N 265.313 0.745 0 50 CCAA Cc1c[nH]nc1CNC[C@H]1CN(C2CC2)CCO1 368001268 XYRRKWPPPWVZHP-LBPRGKRZSA-N 250.346 0.671 0 50 CCAA O=C(O)Cn1ccc(NC(=O)CN2CCCCCC2=O)n1 263067979 ZFEJXMDATUPTIS-UHFFFAOYSA-N 294.311 0.309 0 50 CCAA CN(C)c1cccnc1C(=O)N1CCCNC(=O)C1 900510803 IMAJDESYUKLIST-UHFFFAOYSA-N 262.313 0.110 0 50 CCAA Cc1cnc(C(=O)NC[C@H](O)Cn2ccnn2)c(C)c1 822448123 IARQYSXFFKQPSV-NSHDSACASA-N 275.312 0.081 0 50 CCAA O=C1C[C@@H](CNC(=O)N=c2nc(C3CC3)[nH]s2)CN1 1875267632 BZSAEYCSLBGMQM-ZCFIWIBFSA-N 281.341 0.095 0 50 CCAA C[C@@H](CNC(=O)/C=C/CN(C)C)NC(=O)c1cccnc1 1875378424 CTBZAFQSHGJJKG-PZBABLGHSA-N 290.367 0.434 0 50 CCAA CC(C)C[C@H](N)C(=O)NC[C@]1(C)CN(C(C)C)C1=O 1875368911 FEMPHWRWCYXDOW-SMDDNHRTSA-N 269.389 0.733 0 50 CCAA Cc1cc(N2CC[C@H](n3cc([C@@H](C)O)nn3)C2=O)n(C)n1 881330380 PPEYGAFVHUPRHZ-KOLCDFICSA-N 290.327 0.351 0 50 CCAA O=C1CC2(CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)CN1 1776002413 DALBTKCMOXDKER-UHFFFAOYSA-N 299.334 0.700 0 50 CCAA O=C(CN1CCCCCC1=O)NCCCc1ncc[nH]1 141225801 QFYUJHUTECNXQM-UHFFFAOYSA-N 278.356 0.861 0 50 CCAA CNC(=O)c1ccc(CN2C[C@H](C(=O)O)CC2=O)cc1 65431018 NQHGPMKUDCTDOY-LLVKDONJSA-N 276.292 0.479 0 50 CCAA Cc1nn(C(C)C)cc1C(=O)N1CCOC[C@@H]1C(=O)O 515073033 NMMGFDIOBFTIJC-LLVKDONJSA-N 281.312 0.698 0 50 CCAA CO[C@@]1(C(=O)N2CCC(c3cnc[nH]3)CC2)CCOC1 330029832 QQPKBUACGDCFEY-AWEZNQCLSA-N 279.340 0.921 0 50 CCAA CNS(=O)(=O)[C@H]1CCCN(Cc2cc(OC)ccn2)C1 533383250 LAQHSHROZOUHNB-ZDUSSCGKSA-N 299.396 0.604 0 50 CCAA CSC[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 584889911 ZOWXHNRPYGCBGD-SECBINFHSA-N 267.354 0.985 0 50 CCAA O[C@H](CN1CCOCC1)CN1CCc2ncccc2C1 372159217 YUCPGJHUDYFFDA-CQSZACIVSA-N 277.368 0.133 0 50 CCAA CS(=O)(=O)CCN1CC[C@](O)(c2ccccc2)C1 824864263 UVTJKOZLPLQUPH-CYBMUJFWSA-N 269.366 0.625 0 50 CCAA CNS(=O)(=O)[C@@H]1CCCN(Cc2nn(C)cc2C)C1 877871069 JNLBIPZNNZIFGE-LLVKDONJSA-N 286.401 0.242 0 50 CCAA CC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)O 170173 ZUAVWNTVXZCOEL-GFCCVEGCSA-N 265.265 0.744 0 50 CCAA COC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 382490 DKQHIVOFEHLJPM-UHFFFAOYSA-N 261.274 0.765 0 50 CCAA COc1ccc(C(NC(C)=O)NC(C)=O)cc1OC 388901 HAYCHBLQACOTJO-UHFFFAOYSA-N 266.297 0.975 0 50 CCAA O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccs1 1236610 CVBURXPBIHMVKR-SECBINFHSA-N 254.311 0.523 0 50 CCAA CN1CC(=O)N(C2CCC3(CC2)OCCO3)C1=O 225555276 ALGVJCZKLKBOFN-UHFFFAOYSA-N 254.286 0.566 0 50 CCAA O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccncc1 100501157 ZJIJZZVOWVCKJT-FIQHERPVSA-N 283.287 0.534 0 50 CCAA COCCN(Cc1cnn(C)c1)C(=O)CCCN(C)C 63856162 NWULUENNKOMIOL-UHFFFAOYSA-N 282.388 0.737 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@H](N2CCNCC2)C1 65336807 HCNFKJFDUHUDTA-NSHDSACASA-N 255.362 0.901 0 50 CCAA CC(C)(C)S[C@@H]1CS(=O)(=O)[C@H]1S(C)(=O)=O 22204637 LTXPYUSZJNDHGF-RNFRBKRXSA-N 272.413 0.686 0 50 CCAA CN1CCNC(=O)C12CCN(Cc1cccc(O)c1)CC2 67696320 MAUWOVPJNGJEIJ-UHFFFAOYSA-N 289.379 0.788 0 50 CCAA O=C(Cn1cnnn1)Nc1ccnn1C1CCCC1 60953785 PSXDGYSLMHXRNS-UHFFFAOYSA-N 261.289 0.623 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(Cc2ccc(-n3cncn3)cc2)C1 65420071 UIEKMIQRXBYPSC-LLVKDONJSA-N 286.291 0.700 0 50 CCAA CCc1cc(O)nc(CN2CCCN([C@H](C)CO)CC2)n1 364953134 DYOLKHMKJUHINY-GFCCVEGCSA-N 294.399 0.633 0 50 CCAA O=C1C[C@@H](C(=O)N2CCOC3(CCCC3)C2)CCN1 151058251 JNVWKAXIRAYLDW-NSHDSACASA-N 266.341 0.684 0 50 CCAA Nc1nccnc1C(=O)N1CCCC[C@@H]1CCC(=O)O 238057372 DJYGAKKZJLMGGT-SECBINFHSA-N 278.312 0.918 0 50 CCAA COCCN1C[C@H](C(=O)NCCCc2ccco2)CC1=O 215338330 AOHQKUFWVBBOBJ-GFCCVEGCSA-N 294.351 0.823 0 50 CCAA COCc1noc(CN[C@@H]2CCCC[C@H]2CO)n1 124848822 SRENMDNWPYTWEZ-VHSXEESVSA-N 255.318 0.857 0 50 CCAA CC1(C)CN(C(=O)c2nc(O)nc(O)c2N)[C@@H]1C1CC1 330212917 DYDHBJSMNPFZBH-SECBINFHSA-N 278.312 0.731 0 50 CCAA O=c1ccc(S(=O)(=O)N2CCCCCC2)c[nH]1 36828739 JOEBGOWGEZEMOB-UHFFFAOYSA-N 256.327 0.940 0 50 CCAA C[C@@]1(CN2CCO[C@H](Cn3cccn3)C2)CCNC1 261979076 JBOAEILGLMLVTP-UONOGXRCSA-N 264.373 0.584 0 50 CCAA CCC[C@@H]1C[C@@H]1NC(=O)c1cnc(COC)[nH]c1=N 331960761 LNAKQAWQMSETRA-SCZZXKLOSA-N 264.329 0.954 0 50 CCAA O=C(O)CNC(=O)c1ccc(CN2CCCC2=O)cc1 237922991 XKCQRZCPQIHVNG-UHFFFAOYSA-N 276.292 0.623 0 50 CCAA O=C(c1ccccn1)N1CCC[C@@](O)(CO)CC1 72143770 ILOVVVUNOMEKJZ-ZDUSSCGKSA-N 250.298 0.431 0 50 CCAA O=c1c2nnc3ncnn3c2ccn1-c1ccccc1O 71289085 FCNUUBMPXFGJTA-UHFFFAOYSA-N 280.247 0.529 0 50 CCAA CN(C)[C@H]1CCCCN(C(=O)c2ccn3nnnc3c2)C1 82138684 NOYNPMMIZUOMKO-LBPRGKRZSA-N 288.355 0.681 0 50 CCAA CCN1CCC[C@H](C(=O)N2CCN(c3nc[nH]n3)CC2)C1 426370381 GIRGPKQRZRCPPQ-LBPRGKRZSA-N 292.387 0.185 0 50 CCAA NC(=O)[C@@]1(O)CCCN(c2ccc(Cl)cn2)C1 284466657 AYJUCNMCBJVQOR-LLVKDONJSA-N 255.705 0.552 0 50 CCAA O=C(c1cnn[nH]1)N1CCC(c2nnc3ccccn23)CC1 328869520 CYCZQGSTHULRLW-UHFFFAOYSA-N 297.322 0.867 0 50 CCAA Cc1cccc(CNC(=O)N(C)C[C@H]2COCCO2)n1 426373880 XLUWHRTTYALPLH-ZDUSSCGKSA-N 279.340 0.947 0 50 CCAA O=C(CC[C@H]1CCOC1)NCC(=O)N1CCCCC1 175977739 KZBFBJQKQXVRAT-LBPRGKRZSA-N 268.357 0.932 0 50 CCAA CC(C)(CN1CC[C@@]2(CCCNC2=O)C1)N1CCOCC1 91645830 CNKCRDDOMYKPBK-INIZCTEOSA-N 295.427 0.699 0 50 CCAA Cc1cc(CNC(=O)C[C@H]2CN(C(C)C)CCO2)n(C)n1 97742823 SHLSFLNPRNNSEZ-AWEZNQCLSA-N 294.399 0.844 0 50 CCAA Cc1ccccc1CN1C[C@H](CO)[C@H](CN(C)CCO)C1 91410142 HMKHMSLJWLEDOP-IAGOWNOFSA-N 292.423 0.959 0 50 CCAA Cc1nnc(N2CCC3(CC2)[C@@H](OCCO)C[C@H]3O)s1 91664850 LLJDIOOATHDSQV-MNOVXSKESA-N 299.396 0.575 0 50 CCAA O=C(c1cc(O)no1)N1CCC2(CCNC[C@@H]2CO)CC1 97527304 KRNIAIUKJACSKK-SNVBAGLBSA-N 295.339 0.204 0 50 CCAA CSCC[C@@H](NC(=O)c1c[nH]c(C)cc1=O)C(=O)O 235037555 MUTOMJWNKXMCRH-SECBINFHSA-N 284.337 0.619 0 50 CCAA CC(=O)N1CC[C@@H](Nc2ccnc(C)n2)[C@H](O)C1 244852575 UUVZNMRKSLFTSC-GHMZBOCLSA-N 250.302 0.179 0 50 CCAA Cn1[nH]c(CN2CC(C)(C)CC[C@H]2CO)nc1=O 621380617 ABXGPAHYKNREHM-VIFPVBQESA-N 254.334 0.091 0 50 CCAA O=C([C@H]1C=CCN1)N1CCN(c2ccncc2)CC1 534670028 OYDUBGCCRIIUMV-CYBMUJFWSA-N 258.325 0.258 0 50 CCAA O=C(COC[C@H]1CCOC1)NC1(C(=O)O)CCCC1 299753550 YOAYOHMDVBAYBR-JTQLQIEISA-N 271.313 0.553 0 50 CCAA CCCn1ncnc1[C@@H](C)NS(=O)(=O)c1cn[nH]c1 534587252 VAVXWKKTWLFJES-MRVPVSSYSA-N 284.345 0.451 0 50 CCAA CC(C)c1noc([C@H](C)NC(=O)CCCn2cnnn2)n1 299756537 GMIHVXHEPWYWTJ-VIFPVBQESA-N 293.331 0.837 0 50 CCAA Cc1nc(SCCNC(=O)c2ccnnc2)n[nH]1 825261573 KMYJPVWGUIGTNT-UHFFFAOYSA-N 264.314 0.425 0 50 CCAA CCS(=O)(=O)NC[C@H](C)NCc1cnn(C)c1C 584900032 MFTWPYWEIWZJAE-VIFPVBQESA-N 274.390 0.146 0 50 CCAA CC(C)c1cc(CNC(=O)c2cncnc2N)no1 584893247 AQACZUPJYNLBLJ-UHFFFAOYSA-N 261.285 1.100 0 50 CCAA C[C@H](NC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O)[C@H]1CCCO1 239222097 UJGOJRKBMOWWKF-OJEYFTNHSA-N 281.308 0.324 0 50 CCAA CC1(C)COCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 408044781 WPKYGAARZFBBMI-SECBINFHSA-N 261.343 0.059 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)Nc1c(C)nn(C)c1C 408099177 JQYYNEIKHLJRLS-JTQLQIEISA-N 282.369 0.897 0 50 CCAA Cc1nscc1C(=O)N[C@@H](C)Cn1cncn1 271325578 PXRCJGMJMXSJSI-ZETCQYMHSA-N 251.315 0.862 0 50 CCAA CCS(=O)(=O)NCCNC(=O)[C@@]1(C)C[C@]1(F)Cl 585088740 OVRDXZDEQUKAMR-RKDXNWHRSA-N 286.756 0.357 0 50 CCAA O=C(O)[C@H](C1CC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 635017317 SUIVVIXNGCWMLR-AGIUHOORSA-N 268.357 0.381 0 50 CCAA O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@@H]1C(F)(F)F 585125736 DISXNYPAFJOAPQ-POYBYMJQSA-N 287.259 0.168 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)[C@H]1CCCO1 643848027 VBSUKGDAFSLRSH-BXKDBHETSA-N 257.286 0.258 0 50 CCAA Cn1c(CN2CCOC[C@]23CCOC3)nnc1C1CC1 193666281 ZVYSLQBWDVFHCP-CQSZACIVSA-N 278.356 0.684 0 50 CCAA COc1cccc(NC(=O)N2CCS(=O)(=O)CC2)n1 667333540 GNNVQMDNUZCAKI-UHFFFAOYSA-N 285.325 0.353 0 50 CCAA N[C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)N2CCOCC2)C1 652383462 VJWUNPAJMHJHNF-RDBSUJKOSA-N 297.399 0.799 0 50 CCAA COc1cc(O)ncc1C(=O)N[C@H]1CCNC12CCC2 1615546485 LLUBNYZOVHANNW-NSHDSACASA-N 277.324 0.810 0 50 CCAA CCCCNC(=O)N[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1615585687 AIFQFALDOTUMRK-SNVBAGLBSA-N 279.344 0.625 0 50 CCAA CCCN1C[C@@H](Nc2nc(C(=O)O)co2)CC1=O 1506403871 ZSVJFPPCMPXXBD-ZETCQYMHSA-N 253.258 0.796 0 50 CCAA C[C@@H](CN(C)c1cncc(N)n1)N1CCOCC1 1857675614 AYZLGIMUZRYJQP-JTQLQIEISA-N 251.334 0.216 0 50 CCAA CCN(C(=O)/C=C/c1cnc(N)nc1)[C@@H](C)CO 1506431241 GUPHMGXVOUCKEB-MOVJSRMASA-N 250.302 0.301 0 50 CCAA CO[C@@H]1C[C@H](C(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1O 1704314254 NVJHBOLZBMMDAC-FRRDWIJNSA-N 281.356 0.555 0 50 CCAA COc1nc(N2C[C@@H]3COCC[C@]3(C(=O)O)C2)ncc1F 1772703058 BJHPYZGPFOLADJ-OQPBUACISA-N 297.286 0.552 0 50 CCAA Cc1nc2c([nH]1)CN(CC[C@H]1COCCO1)CC2 1775976983 DWSNIUPAYVRDOR-NSHDSACASA-N 251.330 0.882 0 50 CCAA Cc1ccn(CC(=O)N2[C@H]3CC[C@H]2CC(O)C3)c(=O)c1 408444469 VYJMVUPUXSKMJN-RYUDHWBXSA-N 276.336 0.671 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N)C(=O)O 1576309 HSQIYOPBCOPMSS-ZETCQYMHSA-N 274.321 0.228 0 50 CCAA in-vitro COCC1(NC(=O)[C@@H](C)n2cnc3c(N)ncnc32)CC1 612520312 WQCBZOWNSPHTJI-MRVPVSSYSA-N 290.327 0.265 0 50 CCAA C[C@@H](Cc1cnn(C)c1)NC(=O)c1cc2n(n1)CCC2 622653327 LIHXEKHOKCBSFM-JTQLQIEISA-N 273.340 0.924 0 50 CCAA Cc1nc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2C)cn1C 247061809 HGSYRPHAVLMIDV-PWSUYJOCSA-N 298.412 0.586 0 50 CCAA OC[C@@H]1CCN(c2ncnc3ccccc23)C[C@@H]1O 571354928 ABYYOJNPFYXAOP-GWCFXTLKSA-N 259.309 0.809 0 50 CCAA COc1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)c(F)c1 152898125 WZVXWIGHDBGIER-UONOGXRCSA-N 294.326 0.989 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@H](N)C2)ccc1S(N)(=O)=O 158362579 ZXTMORUMPGNRAP-LLVKDONJSA-N 297.380 0.206 0 50 CCAA Cc1nnsc1CN1CCCC[C@H]1CS(N)(=O)=O 931229433 AHEHUPPHVUMYGF-VIFPVBQESA-N 290.414 0.490 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1cc(C(=O)OC)no1 864095771 ATAZIFRXMMKSKE-ZDUSSCGKSA-N 298.295 0.527 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@@H]2OCO[C@@H]2C1 1875296917 VENNFSYMRZCCDD-AOOOYVTPSA-N 277.280 0.257 0 50 CCAA CC1(NS(=O)(=O)c2cnn3ncccc23)CC1 1875289547 ACWNZTDTJVGKGQ-UHFFFAOYSA-N 252.299 0.560 0 50 CCAA C[C@H]1[C@H](O)CN1C(=O)CCc1nc(-c2ccoc2)no1 1875318384 IDYSVDAFAJFMJL-WCBMZHEXSA-N 277.280 0.854 0 50 CCAA CNC(=O)[C@H](C)N(C)C(=O)Cn1cc2ncccc2n1 1875342865 KRHOKOMPVLXHTH-VIFPVBQESA-N 275.312 0.024 0 50 CCAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)CO)C1 888103137 JTHJWDDISMAFOR-ZJUUUORDSA-N 253.302 0.307 0 50 CCAA O=C(Cc1c(F)cccc1F)N[C@H]1CCO[C@H]1C(=O)O 659173532 CZFBKNOVLASINC-CMPLNLGQSA-N 285.246 0.866 0 50 CCAA CCOC(=O)[C@]1(O)c2ccccc2NC(=O)N1C 186373 JTSCOSPQXISEEQ-GFCCVEGCSA-N 250.254 0.872 0 50 CCAA Nc1nc(NC(=O)CCC(=O)O)nn1-c1ccccc1 310690 DKBVUBLGPJSMSV-UHFFFAOYSA-N 275.268 0.653 0 50 CCAA OCCN(CCO)c1ncnc2sc3c(c12)CCC3 380277 OCZMQINXJRGNSH-UHFFFAOYSA-N 279.365 0.971 0 50 CCAA CCOC(=O)c1cnc2cc(N(C)C)ccn2c1=O 758847 FLFNBQDMQRDWJI-UHFFFAOYSA-N 261.281 0.937 0 50 CCAA CS(=O)(=O)N(CCc1ccccc1)CC(=O)O 619800 QQTJBZYKDDCHIV-UHFFFAOYSA-N 257.311 0.575 0 50 CCAA Cc1ccc(C)c(OC[C@@H](O)CN(CCO)CCO)c1 2686811 AMPMFELOCGSYIL-AWEZNQCLSA-N 283.368 0.330 0 50 CCAA C[C@H](O)CNC(=O)C(=O)N[C@@H](C)c1ccccc1 2993722 WZGQTPFRKYIKJX-UWVGGRQHSA-N 250.298 0.361 0 50 CCAA CN1C(=O)C(Cc2ccc(N(C)C)cc2)C(=O)N(C)C1=O 3173090 ZTRLNNJOCFQMSS-UHFFFAOYSA-N 289.335 0.962 0 50 CCAA NC(=O)c1c(NC(=O)NCCO)sc2c1CCC2 6661462 ZSWBPIXWNMQFGD-UHFFFAOYSA-N 269.326 0.450 0 50 CCAA CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10371561 NIBKUJSUPOBUGC-JTQLQIEISA-N 291.417 0.420 0 50 CCAA C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 111713346 MPWAIPJGAOSGST-MNOVXSKESA-N 269.370 0.830 0 50 CCAA CC(C)N(C)S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CN 226343109 WOYCJFOERQVECA-MNOVXSKESA-N 263.407 0.631 0 50 CCAA CCOCCN1CCN([C@H]2CCOC2=O)C[C@H]1CC 247386962 WQVPUQWRHAFZTK-OLZOCXBDSA-N 270.373 0.735 0 50 CCAA CC(C)N(CCO)C(=O)c1cc(CN2CCOCC2)on1 67982435 KEWPPQIQWCZBBG-UHFFFAOYSA-N 297.355 0.350 0 50 CCAA C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCO[C@H]2C)C[C@@H]1C 249710597 YAECBHSINRZLAK-XDQVBPFNSA-N 284.400 0.715 0 50 CCAA CNS(=O)(=O)CCCN[C@H]1CC(C)(C)OC1(C)C 119830341 UBXVDWPBCRPSNR-JTQLQIEISA-N 278.418 0.861 0 50 CCAA CO[C@]1(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)CCOC1 329848046 NDVBBTUWHFJVMH-DDHJSBNISA-N 299.367 0.587 0 50 CCAA Cc1ccc([C@H](O)CNC(=O)[C@@H]2CNCCO2)cc1 151916451 ZKNXHJSSIKRPGS-OLZOCXBDSA-N 264.325 0.133 0 50 CCAA Cc1cnc(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)cn1 332212572 JJVCGAYKDYCVRD-OLZOCXBDSA-N 276.340 0.330 0 50 CCAA NC(=O)c1cc[n+](COCN2C=CC=C/C2=C\N=O)cc1 34443764 FJZDLOMCEPUCII-UKTHLTGXSA-O 287.299 0.998 0 50 CCAA in-vitro Cc1nn(C)c2ncc(C(=O)N3C[C@@H](F)C[C@H]3CO)cc12 372492693 FMKDWDHAKLIJTE-QWRGUYRKSA-N 292.314 0.822 0 50 CCAA C[C@@H]1CN(Cc2ccccc2CNC(=O)CN)C[C@@H](C)O1 237517111 UTXRFQHXSRULKT-CHWSQXEVSA-N 291.395 0.871 0 50 CCAA Cn1cc(N2CCN(C(=O)[C@@H]3CCC[C@H](N)C3)CC2)cn1 237692050 NCGAZHACCZGYCC-OLZOCXBDSA-N 291.399 0.586 0 50 CCAA CC(=O)N[C@@H]1[C@@H](NC(=O)Cc2cccs2)[C@H]2CCO[C@H]21 218971901 GTKMGDNXHZYKOK-YXCITZCRSA-N 294.376 0.699 0 50 CCAA COc1ccc(CN(C)[C@H](C)CN2CCOCC2)nn1 282498478 NEBKMUUPBYYUHH-GFCCVEGCSA-N 280.372 0.638 0 50 CCAA COC[C@H]1CN(Cc2cn3cccnc3n2)CCO1 172889411 ZJPQCELPTREVRX-GFCCVEGCSA-N 262.313 0.577 0 50 CCAA Cc1noc(C)c1CN1CCC[C@](O)(Cn2ccnn2)C1 284470182 FTSPMYLYCXNVQW-CQSZACIVSA-N 291.355 0.910 0 50 CCAA CNC(=O)CSc1nnc(C2CCNCC2)n1C 426619982 FRUZHLAUBROHJN-UHFFFAOYSA-N 269.374 0.120 0 50 CCAA COc1ccc(F)cc1CC(=O)N1C[C@H](OC)C[C@H]1CO 284963470 WRKPBJJADZYIEM-QWHCGFSZSA-N 297.326 0.985 0 50 CCAA Cc1cc(=O)cc(C(=O)N[C@H]2CCCN(C)C2)o1 223785556 AMXJFBLTNFNYRM-JTQLQIEISA-N 250.298 0.772 0 50 CCAA CN1CCCN(Cc2cnc(N)s2)CC12CCNCC2 426402029 RHDDJPIIMCHBDS-UHFFFAOYSA-N 295.456 0.985 0 50 CCAA COCCc1nc(CNC(=O)c2ncc(F)cc2F)no1 222409145 NMCWUSBXQRADKK-UHFFFAOYSA-N 298.249 0.862 0 50 CCAA Cc1nc(NCc2nnc(N)s2)c2cnn(C)c2n1 95380423 CLOSGWZVMPXRCN-UHFFFAOYSA-N 276.329 0.718 0 50 CCAA COc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCCNC1 178029745 QKZIJNKNCKXAMA-DGCLKSJQSA-N 278.352 0.844 0 50 CCAA CCN(C)C[C@@H]1CN(C(=O)c2ccc(CO)o2)C[C@@H]1CO 92037945 XSGYBZNAAGNBEG-VXGBXAGGSA-N 296.367 0.404 0 50 CCAA CCCc1cc(CNC(=O)CC[C@@H]2NC(=O)NC2=O)on1 92078726 ZMSRCMHPFMACTO-JTQLQIEISA-N 294.311 0.232 0 50 CCAA C[C@H]1CN(C(=O)c2nnc3ccccc3n2)CC(=O)N1C 291669280 WECHKNLKLMNKFT-VIFPVBQESA-N 285.307 0.328 0 50 CCAA CC[C@H](C(=O)NCCc1nncn1CC)n1cccn1 92038410 IGECLHRBZCOUKT-LLVKDONJSA-N 276.344 0.805 0 50 CCAA CC(=O)c1cnc(NCCc2ncnn2C)nc1C 95377063 GAUCCFCCQDDTFV-UHFFFAOYSA-N 260.301 0.771 0 50 CCAA CCOCCN1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 299753994 GHTZVIWEPYKAJB-MFKMUULPSA-N 269.345 0.333 0 50 CCAA Cc1ccc(C=c2sc3nc(=O)c(C)nn3c2=O)o1 254440679 JVNHHCCCFVXDAA-UHFFFAOYSA-N 275.289 0.269 0 50 CCAA COc1cc(C(=O)NC[C@@H]2CCNC[C@H]2O)ccc1F 534585408 MFEVDVCIUBPSQQ-CMPLNLGQSA-N 282.315 0.535 0 50 CCAA Cn1nccc1C(=O)NC[C@@H](O)Cc1ccccc1 264245587 POPOCUFAVMJVQK-LBPRGKRZSA-N 259.309 0.754 0 50 CCAA Cc1cccnc1[C@@H](NC(=O)Cn1cnnn1)C1CC1 534587744 BRYMBQIAMXRNLS-ZDUSSCGKSA-N 272.312 0.644 0 50 CCAA CCc1nc(CCNC(=O)c2cccn(C)c2=O)no1 357323547 YFUSDBAGTNZGIE-UHFFFAOYSA-N 276.296 0.303 0 50 CCAA CCc1nnc(CNC(=O)C[C@@H]2CN(C(C)C)CCO2)o1 534673863 JSPNCIBEXWYEGV-LLVKDONJSA-N 296.371 0.748 0 50 CCAA CC(C)c1noc([C@H](C)NC(=O)c2cnn[nH]2)n1 299785481 RVYQEARFEAUHPO-LURJTMIESA-N 250.262 0.802 0 50 CCAA CCCN1CCC(N2C[C@@H](N)C[C@H]2C(=O)NCC)CC1 299758218 PQDLGWIUSWIPDQ-JSGCOSHPSA-N 282.432 0.399 0 50 CCAA Cc1cccnc1C[C@@H](C)NC(=O)CCn1nnnc1C 299801102 VWWCKBJXANWDME-LLVKDONJSA-N 288.355 0.822 0 50 CCAA O=C(CCn1cccn1)N[C@H]1COC[C@@H]1N1CCCCC1 299801942 ZEAHVOWBWLUIFJ-KBPBESRZSA-N 292.383 0.643 0 50 CCAA COCCn1cncc1CN[C@@H](C)Cn1ccnc1 824466093 GGTZJOVKZAPVRF-LBPRGKRZSA-N 263.345 0.904 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)c2cnc(SC)nc2)C1 584888135 DGCOAMSFTADIDP-VIFPVBQESA-N 294.380 0.797 0 50 CCAA O=C(NCCN1CCCC[C@@H]1CO)c1cncc(O)c1 828710807 HTOIDEKKRWLMPZ-GFCCVEGCSA-N 279.340 0.364 0 50 CCAA CNC(=O)CCc1nc(COC)nn1-c1cccc(C)n1 670435535 KCWSJQDZVSFWBB-UHFFFAOYSA-N 289.339 0.796 0 50 CCAA CCn1cc(CN(C)C(=O)CN(C)CCOC)cn1 670470911 WZCROFUTALENNM-UHFFFAOYSA-N 268.361 0.440 0 50 CCAA Cc1cccn2cc(C(=O)N[C@H](CO)CN(C)C)cc12 935979899 BITVAWPYWDQJLK-ZDUSSCGKSA-N 275.352 0.900 0 50 CCAA CCN1C[C@H](CN(C)S(=O)(=O)N(C)C(C)C)CC1=O 952979368 SLECSDLFXWZJMF-NSHDSACASA-N 291.417 0.372 0 50 CCAA CC(C)N(C)CCNC(=O)/C=C/c1cnc(N)nc1 952973564 OOCQCWKMEKYBNK-SNAWJCMRSA-N 263.345 0.528 0 50 CCAA C[C@H]1COC(C)(C)CN1C(=O)CCn1ccnn1 407983118 BIMXVUPKSJEYIS-JTQLQIEISA-N 252.318 0.694 0 50 CCAA CC(C)(O)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 408051789 LRXKWSVXFAXNBN-IJLUTSLNSA-N 271.357 0.536 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1cncnc1N 277360597 OPQPOCRIXQNCCN-QWRGUYRKSA-N 264.329 0.880 0 50 CCAA Cc1ncn(CC(=O)NCC(F)(F)F)c(=O)c1C 188294242 WXTXIENWCRTYDX-UHFFFAOYSA-N 263.219 0.539 0 50 CCAA CC(C)[C@H](C)NC(=O)CN1CCOC[C@@]12CCOC2 193713925 FQMIPDDJBPZVJZ-JSGCOSHPSA-N 270.373 0.638 0 50 CCAA C[C@]1(C(=O)O)CCCN1CC1(CS(C)(=O)=O)CC1 652480680 NOFXLUXSWSOKHP-LLVKDONJSA-N 275.370 0.750 0 50 CCAA Cc1c[nH]nc1C(=O)N[C@H](CC(=O)O)C(F)(F)F 715563562 OWXJAXZKMNPKHT-RXMQYKEDSA-N 265.191 0.854 0 50 CCAA O[C@]1(c2cnn[nH]2)CCCN(Cc2cccnc2)C1 794010908 VKVUYAPPAQQRIR-CYBMUJFWSA-N 259.313 0.683 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CC(F)(F)CN1 1875290229 HOYGEDJWVWXYMD-SECBINFHSA-N 272.299 0.682 0 50 CCAA O=C(C1CCCC1)N1CCN(c2nn[nH]n2)CC1 1875295670 NNRGEJRVBSLQCD-UHFFFAOYSA-N 250.306 0.039 0 50 CCAA CN1CCN([C@H]2CN(c3ccncc3F)C[C@@H]2O)CC1 1506396362 SAHYWGYGCMOPST-KBPBESRZSA-N 280.347 0.018 0 50 CCAA Cc1nn[nH]c1C(=O)N(C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 1506399543 HKJUTYTUPFPHNW-JTQLQIEISA-N 293.371 0.832 0 50 CCAA CCCn1nc(C)c(NC(=O)Cn2cnnn2)c1C 1529113315 DXJMYYLNDFHXAG-UHFFFAOYSA-N 263.305 0.535 0 50 CCAA Cc1cc2c(cn1)CN(C(=O)c1ncc[nH]c1=O)C2 1857680269 JNQVVGYJIRGBGR-UHFFFAOYSA-N 256.265 0.629 0 50 CCAA C[C@@H](C(=O)O)N1CCN(C(=O)OC(C)(C)C)CC1=O 223332840 IYLXSDCYHQDJFQ-QMMMGPOBSA-N 272.301 0.539 0 50 CCAA in-vitro CCN(CC(=O)N1C[C@@H](OC)C[C@H]1COC)C1CC1 344813597 QYIQNUIURKCAJD-STQMWFEESA-N 270.373 0.733 0 50 CCAA CNS(=O)(=O)[C@H]1CCN(Cc2cccnc2OC)C1 373293927 QCGBXAQVLHHBSS-NSHDSACASA-N 285.369 0.214 0 50 CCAA CC(=O)c1cnc(NC[C@H](O)CN2CCCC2)nc1C 1772703651 HQPQFZHDTPAAIN-LBPRGKRZSA-N 278.356 0.856 0 50 CCAA Cc1nc(CN2CCN(C(=O)[C@H]3CCOC3)CC2)oc1C 225543497 RCMSPMKNYGJUOD-ZDUSSCGKSA-N 293.367 0.972 0 50 CCAA C[C@@H]1CCC[C@H](OCC(=O)N2CCO[C@@H](C(=O)O)C2)C1 532256434 FHRZKDYLTSSNAH-GRYCIOLGSA-N 285.340 0.894 0 50 CCAA CC1=C(C)CN(C(=O)[C@@H]2Cn3c(C)nnc3CN2C)CC1 644456904 YSUNYTDTFPURGH-ZDUSSCGKSA-N 289.383 0.969 0 50 CCAA C[C@H](NS(=O)(=O)[C@H]1CCCOC1)[C@H]1CCCNC1 252484924 GKMXYMXNKMKPSN-SRVKXCTJSA-N 276.402 0.473 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)N1CCNCC1 911647591 CFUJRCQUPKUGKC-OAHLLOKOSA-N 275.352 0.227 0 50 CCAA CCN(CCC(N)=O)C(=O)c1cc2cnccc2[nH]1 830205540 WXWPDQXUVWGZFG-UHFFFAOYSA-N 260.297 0.900 0 50 CCAA CCS(=O)(=O)N1CCN(Cc2cccnc2)CC1 19842689 OQYAINXJIUGRLB-UHFFFAOYSA-N 269.370 0.549 0 50 CCAA O=C(c1cnc2n1CCC2)N1CCc2c(O)ncnc2C1 1875267748 KIKZRRKWNZRQQS-UHFFFAOYSA-N 285.307 0.523 0 50 CCAA Cc1cn2c(n1)CC[C@@H](C(=O)N(C)C[C@H](O)C1CC1)C2 1875279693 OWPASVILVXOTKR-OLZOCXBDSA-N 277.368 0.983 0 50 CCAA CN1CC[C@H](n2cc(CNCc3ccco3)nn2)C1=O 1875266994 DVHBKHHCHYLTID-LBPRGKRZSA-N 275.312 0.564 0 50 CCAA CN(Cc1cnc(N(C)C)nc1)C(=O)CN1CCCCC1 1875321835 XVBIMAOMMBKMMS-UHFFFAOYSA-N 291.399 0.987 0 50 CCAA O=C(N[C@@]1(c2ncc[nH]2)CCOC1)c1ccncc1F 886094964 IVZLKNWCXRDDPX-ZDUSSCGKSA-N 276.271 0.989 0 50 CCAA Cc1cnn([C@@H]2[C@@H](NC(=O)Cc3[nH]cnc3C)C[C@H]2O)c1 886094941 IEHQDPZHGTUFFD-OUCADQQQSA-N 289.339 0.256 0 50 CCAA O=C(C[C@H]1CCCO1)N1CCc2[nH]ccc(=O)c2C1 1776000009 RZXNQJFXYJQDNH-SNVBAGLBSA-N 262.309 0.829 0 50 CCAA Cc1ccccc1NC(=O)N1CCN(CC(N)=O)CC1 35354387 SMXWEMYKBJQKMI-UHFFFAOYSA-N 276.340 0.630 0 50 CCAA C[C@H](C(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1)n1cccn1 659227414 SHRZEFJKEVHWEB-BBBLOLIVSA-N 251.286 0.766 0 50 CCAA CCNc1ccnc(N(C)C[C@@H]2COCCO2)n1 65496331 DTOFAOSFEUJSPD-SNVBAGLBSA-N 252.318 0.760 0 50 CCAA O=C1CCCN1[C@@H]1CCCN(CCn2cncn2)C1 71756922 QIDUYNSSJWEOPE-GFCCVEGCSA-N 263.345 0.365 0 50 CCAA O=C(NC[C@H]1CCO[C@H]1C(=O)O)c1ccccn1 715141725 YIGRSGCBHBHDBB-PSASIEDQSA-N 250.254 0.301 0 50 CCAA Nc1nc(CNC(=O)CCc2cn[nH]c2)cs1 827820423 JNAGWTLTODBPDT-UHFFFAOYSA-N 251.315 0.697 0 50 CCAA O=S(=O)(N[C@H]1CCOC2(CCC2)C1)c1cn[nH]c1 1875263138 FLFPHWUVVRFTRQ-VIFPVBQESA-N 271.342 0.790 0 50 CCAA CO[C@H]1C[C@](NC(=O)[C@H]2CCn3cncc3C2)(C(=O)O)C1 2325775323 WTVDGNYPYOKRGF-NURSFMCSSA-N 293.323 0.194 0 50 CCAA O=C(Cn1nnc2ccccc21)N1CCCC[C@H]1CO 1433603002 LSJKESBJCSMUHX-NSHDSACASA-N 274.324 0.805 0 50 CCAA COc1ccc(CCNC(=O)C(=O)NC2CC2)cc1 2812074 UQFHSGRWGALHFD-UHFFFAOYSA-N 262.309 0.633 0 50 CCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC1 3569722 DMYUGEILICTEPQ-UHFFFAOYSA-N 284.337 0.579 0 50 CCAA CN1CCN(NC(=O)[C@@]2(C)CC2(Cl)Cl)CC1 4750173 IYAGCIVCGAOJKO-SECBINFHSA-N 266.172 0.849 0 50 CCAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2c[nH]c(=O)cn2)C1 67724835 PADUQKNEAZVXQY-INIZCTEOSA-N 299.330 0.812 0 50 CCAA CC(C)N1CCC(C(=O)NC[C@H]2CNCCO2)CC1 67934077 PXAYCBSXOKOOPV-CYBMUJFWSA-N 269.389 0.211 0 50 CCAA COCC(COC)NC(=O)c1ccn(C(C)C)n1 424058104 KMXXDDTYPJFQGX-UHFFFAOYSA-N 255.318 0.855 0 50 CCAA O=C(NCc1c[nH]c(=O)[nH]c1=O)[C@H]1CCc2ccccc2C1 219423307 FEEOVANOUPMZEV-LBPRGKRZSA-N 299.330 0.485 0 50 CCAA Cc1noc([C@H]2CCCN2Cc2nc(O)n[nH]2)n1 329155467 CILHHDMBJHBUTB-SSDOTTSWSA-N 250.262 0.539 0 50 CCAA O=C(Cc1c[nH]c2ncccc12)N1CCS(=O)CC1 329812614 NDOCNHRBDHVQGL-UHFFFAOYSA-N 277.349 0.696 0 50 CCAA Cn1cnc2cc(C(=O)N3CC(F)(F)C[C@@H]3CO)cnc21 372499826 BEPLSMYQXNDBGB-SECBINFHSA-N 296.277 0.810 0 50 CCAA O=C(N[C@H]1[C@@H]2c3ccccc3C[C@H]21)[C@]1(O)CCOC1 334112970 DPPBSGHRZUOFOQ-BHPKHCPMSA-N 259.305 0.592 0 50 CCAA CCOC(=O)c1cnc(N(C)Cc2nc(=O)o[nH]2)nc1C 521398502 KOQGNIVFCWLICD-UHFFFAOYSA-N 293.283 0.274 0 50 CCAA Cc1cnccc1CNC(=O)CN1CC[C@@H](N(C)C)C1 220365312 HJWIXOZQJDMMQM-CQSZACIVSA-N 276.384 0.642 0 50 CCAA CCc1cc(N2CC[C@](O)(c3c[nH]nn3)C2)nc(C)n1 284495714 KCYUGXIUKUDMHQ-CYBMUJFWSA-N 274.328 0.563 0 50 CCAA C/C(=C\C(=O)N1CCC[C@@](O)(C(N)=O)C1)c1ccccc1 285452744 JMQMEJFVVDUZDA-TYZQSYOASA-N 288.347 0.929 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccncc1Cl 286712941 GBFOJMBBPAAIFO-MUWHJKNJSA-N 271.679 0.773 0 50 CCAA Cc1cnc(CN2CCC3(CC2)CNCCO3)[nH]1 426471348 KZHOTAAANHFNGR-UHFFFAOYSA-N 250.346 0.673 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)C2CC2)CCN(c2cnccn2)C1 97681764 XDQURJUGIJMRTM-NSHDSACASA-N 290.323 0.236 0 50 CCAA CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 178551242 GGHRBSZWNLRECH-KGLIPLIRSA-N 289.379 0.714 0 50 CCAA CC1(C)CNC(=O)c2nc([C@H]3COCCO3)[nH]c2C1 95376985 CAISEFXZZGWNCM-SECBINFHSA-N 265.313 0.810 0 50 CCAA C[C@@H](C(=O)NCCN(C)C)n1cnc2ccccc2c1=O 334161918 KSPMWIXCLASZPE-NSHDSACASA-N 288.351 0.635 0 50 CCAA Cc1nc(O)c(Cl)c(NC[C@H]2CN(C)CCO2)n1 534588923 QHPBNWACEQJQDH-QMMMGPOBSA-N 272.736 0.887 0 50 CCAA CCOc1ccc(C(=O)N2CCOC[C@H]2C(=O)O)cn1 299748641 HTUKICYYBNVVQE-JTQLQIEISA-N 280.280 0.406 0 50 CCAA CCC(=O)N1CCC[C@H]1C(=O)NCCc1ncc[nH]1 534663961 KZCSJKOPNLWHQE-JTQLQIEISA-N 264.329 0.469 0 50 CCAA CCc1nsc(N2CCC([C@@H](O)C(N)=O)CC2)n1 299749446 KIXVILAXDAWVOT-SECBINFHSA-N 270.358 0.163 0 50 CCAA CC(=O)N1CCCC[C@@H]1C(=O)NCCn1ccnc1C 285990240 MULFKDDKGYJGJL-CYBMUJFWSA-N 278.356 0.709 0 50 CCAA Nc1nc(CCCNC(=O)c2cnc(O)[nH]2)cs1 827597703 BGGWKVNZFFBKFL-UHFFFAOYSA-N 267.314 0.517 0 50 CCAA COCC1(C(=O)NC2(C(N)=O)CCCCC2)CC1 824346642 ABHWKSABZHFEEK-UHFFFAOYSA-N 254.330 0.717 0 50 CCAA CC(C)(C)n1ncnc1CC[C@@H]1NC(=O)NC1=O 828299325 ZOQSDYDTAAHJRA-ZETCQYMHSA-N 251.290 0.174 0 50 CCAA O=C(CCCn1cncn1)NCc1cc(C2CC2)n[nH]1 584886471 OXXMTAMBFMWSEE-UHFFFAOYSA-N 274.328 0.975 0 50 CCAA CC(C)Cc1nc(CNC(=O)c2cnc(O)[nH]2)no1 584892179 AIDYNNBZVFOKRZ-UHFFFAOYSA-N 265.273 0.627 0 50 CCAA Cn1nccc1CNC(=O)c1cn([C@@H]2CCCNC2)cn1 585655471 LIDUZTRAYOCCGU-GFCCVEGCSA-N 288.355 0.471 0 50 CCAA CN1CC[C@@](C)(C(=O)N[C@@H]2CCCn3nccc32)C1=O 636370892 BXWWEEXKALGCKW-YGRLFVJLSA-N 276.340 0.703 0 50 CCAA CCn1cc(CCN2CCC[C@](O)(CC(N)=O)C2)cn1 643807605 XVZNRMFWKSHDFZ-AWEZNQCLSA-N 280.372 0.148 0 50 CCAA CC[C@@H](NCC(=O)NC1CCCCC1)C(=O)OC 192842039 CRVYGUIKXYMIAC-LLVKDONJSA-N 256.346 0.977 0 50 CCAA O=C(CCc1cn[nH]c1)N[C@@H]1COC2(CCNCC2)C1 1506401076 HUYUJQOILBHFHG-LBPRGKRZSA-N 278.356 0.370 0 50 CCAA Cn1ccnc1COCC(=O)N[C@]12CCC[C@H]1NCC2 1615547013 MVTBCSKFMMGFPT-RISCZKNCSA-N 278.356 0.338 0 50 CCAA CC(C)c1nnc(CN2CCC([C@@H](O)CO)CC2)o1 1772702395 RRNCWJMMJMLSAW-NSHDSACASA-N 269.345 0.758 0 50 CCAA CN(CCCCN1CCOCC1)c1cc(C(N)=O)ccn1 1506403515 SOKZKPRMFCYKJK-UHFFFAOYSA-N 292.383 0.729 0 50 CCAA Cc1cc(C)n(C[C@H](C)NCCc2nnc(O)n2C)n1 1506396686 WJGRWPKHHTZNKV-JTQLQIEISA-N 278.360 0.555 0 50 CCAA O=C(CCCn1cccn1)N1CCC([C@H](O)CO)CC1 1772709105 HYCHRSIDNGJLHB-CYBMUJFWSA-N 281.356 0.255 0 50 CCAA Nc1nnc(CCNC(=O)c2ccc3c[nH]nc3n2)s1 1775977951 KXFXODSLGXDSEB-UHFFFAOYSA-N 289.324 0.364 0 50 CCAA Cc1nc(N2C[C@H]3CNC[C@]3(CO)C2)c2ccccc2n1 1772710386 UREHDOCLFBHRRW-MLGOLLRUSA-N 284.363 0.956 0 50 CCAA NC[C@H]1CN(C(=O)c2ccc3sc(N)nc3c2)CCO1 19770677 XXZZBDVUJVMPKN-VIFPVBQESA-N 292.364 0.678 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1O)c1cnc(C2CC2)nc1 629247149 SUEORYFSYIOGDF-QWRGUYRKSA-N 263.297 0.234 0 50 CCAA O=C([C@@H]1C[C@]12CCOC2)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 329076435 CDGIBUFZSUBUFX-JAAXMTQOSA-N 295.379 0.801 0 50 CCAA Cn1c(CCNC(=O)[C@@H]2CNCCO2)nc2ccccc21 237735706 ROHHAFUPZIMPAK-ZDUSSCGKSA-N 288.351 0.220 0 50 CCAA Cc1ccc2oc(N3CCC(O)(C(N)=O)CC3)nc2c1 253427153 DMUKWVJBKZMSDE-UHFFFAOYSA-N 275.308 0.953 0 50 CCAA S=C(NC1CC1)N1CCN(c2ncccn2)CC1 612833 RMYIHLXHCCMXPU-UHFFFAOYSA-N 263.370 0.636 0 50 CCAA C[C@H](C(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O)C1CC1 902435789 FPCQGECKEFWRHQ-GXSJLCMTSA-N 282.340 0.614 0 50 CCAA CNC(=O)Cc1noc(-c2cnn3ncccc23)n1 904637634 FTCOEPPESPVZHM-UHFFFAOYSA-N 258.241 0.068 0 50 CCAA C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[C@H](C3CC3)O2)O[C@H]1C(=O)O 907866545 IXHFNNGKPULMEK-JOLIMNQDSA-N 297.351 0.938 0 50 CCAA C[C@@H](O)c1ncc(C(=O)NCCn2ccnc2)s1 857436509 AJYRYWFHWDJAAS-MRVPVSSYSA-N 266.326 0.823 0 50 CCAA CCc1nnc(N2CC[C@H](NC(=O)C3CC3)C2)o1 1875275795 PXRUSBYPOYROMK-VIFPVBQESA-N 250.302 0.737 0 50 CCAA CN(C[C@@H]1CCC(=O)N1)C(=O)[C@@H]1COc2ccccc21 1875271890 WNGQKWHWLQWCFA-CMPLNLGQSA-N 274.320 0.900 0 50 CCAA C[C@@H](NC[C@H]1CC12CCS(=O)(=O)CC2)C(=O)O 1875335485 OCOAHBCMSKVHIJ-RKDXNWHRSA-N 261.343 0.264 0 50 CCAA C[C@@H]1COC[C@@](CO)(CNc2ncc3ccnc-3[nH]2)N1C 1875398541 VHWOYFZKBZRADO-YGRLFVJLSA-N 291.355 0.403 0 50 CCAA COC1(CN[C@H]2C[C@@H](O)[C@@H]2n2cccn2)CCOCC1 888076221 JTCFLCGYNZTSTJ-YNEHKIRRSA-N 281.356 0.343 0 50 CCAA CCn1cc(C(=O)N2CCC(=O)Nc3ccncc32)nn1 1775961677 RKXRXWRUOPQVKG-UHFFFAOYSA-N 286.295 0.682 0 50 CCAA C=CS(=O)(=O)CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O 1776007179 WDXBKKWLLRJYNM-HBNTYKKESA-N 272.370 0.131 0 50 CCAA CN1CCN(C)[C@H](CNC(=O)c2ccc(O)cc2)C1 68808841 BRQIAZMGUKYWTQ-GFCCVEGCSA-N 263.341 0.368 0 50 CCAA CCc1nc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)c(C)o1 336558026 JDIWUWYMBBHFQU-APPZFPTMSA-N 265.313 0.942 0 50 CCAA O=C(C[C@]1(O)CCCNC1)NCC1CCOCC1 912442355 KLTNJXQBNPXUFZ-CYBMUJFWSA-N 256.346 0.034 0 50 CCAA CN(Cc1cnn(C)c1)C(=O)[C@@H]1CNC[C@H]1C(F)(F)F 299740464 AWTAOHHHAMQMBI-NXEZZACHSA-N 290.289 0.776 0 50 CCAA NC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 2325801057 TVBCSJRSRHUOAR-SECBINFHSA-N 293.754 0.862 0 50 CCAA Cc1nccc(N2CCN(c3ccnnc3)CC2)n1 895964093 NSBRXGVWZSUZHF-UHFFFAOYSA-N 256.313 0.902 0 50 CCAA O=C(NC[C@@H]1CNCCO1)c1[nH]nc2ccccc12 134252184 PCZLJGHHPPCFMC-VIFPVBQESA-N 260.297 0.281 0 50 CCAA COc1ccc(N[C@H]2CC(=O)N(N(C)C)C2=O)cc1 100571974 UYBREXYCKSLGEW-NSHDSACASA-N 263.297 0.711 0 50 CCAA CC(C)CNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10362575 ZEGAOVXURDMCKQ-UHFFFAOYSA-N 291.417 0.277 0 50 CCAA COC(=O)c1ccc(CN2CCN(CCO)CC2)cc1 21985530 IJRVVDLIBWNIQV-UHFFFAOYSA-N 278.352 0.583 0 50 CCAA CN(C)CCNC(=O)N[C@@H]1CCN(c2ncccc2F)C1 133857687 IJEXQUGXNBITNN-LLVKDONJSA-N 295.362 0.660 0 50 CCAA CS(=O)(=O)N(CC(N)=O)c1ccc(C(F)(F)F)cc1 65364070 AWMVFYURZIKZNY-UHFFFAOYSA-N 296.270 0.957 0 50 CCAA CCN1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1(C)C 67919684 QDHCLFHKFYYQLP-UHFFFAOYSA-N 252.318 0.259 0 50 CCAA Cc1cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c(C)o1 335715078 OZUCWYPMSSSRQG-UWVGGRQHSA-N 277.317 0.990 0 50 CCAA Cc1cc(C)nc(CCNC(=O)c2cc(=O)[nH]o2)n1 216480985 DURRFUSXMWIPFL-UHFFFAOYSA-N 262.269 0.347 0 50 CCAA Cc1cc(C(=O)NC(C)(C)c2nn[nH]n2)ns1 444282143 BLHIFNNAHSBTDH-UHFFFAOYSA-N 252.303 0.630 0 50 CCAA CC[C@@]1(C)C(=O)NCCN1Cc1cccc(C(=O)OC)n1 71315270 NXFSQGJESVFTSZ-HNNXBMFYSA-N 291.351 0.969 0 50 CCAA C[C@@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)[C@@H]1CN 237521081 FKNFLRAIFHDWTR-BXKDBHETSA-N 278.356 0.323 0 50 CCAA CN(C)C(=O)c1ccc(CN2CC(F)(F)C[C@H]2CO)[nH]1 372636473 FKGBLQDEZJREEH-JTQLQIEISA-N 287.310 0.918 0 50 CCAA CN(CCCn1cccn1)C(=O)CN1CCC[C@@H](O)C1 219307056 AOXQYSPXPDKUIT-CYBMUJFWSA-N 280.372 0.188 0 50 CCAA C[C@H](C(N)=O)N1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 241447102 NREPNRHGTLEVEN-KCPJHIHWSA-N 289.379 0.136 0 50 CCAA COc1ccnc(N2CCN(S(=O)(=O)C3CC3)CC2)c1 173119453 FPZMDPXUUFRZHY-UHFFFAOYSA-N 297.380 0.704 0 50 CCAA CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2cccnc2)N(C)C1 285055302 NXBOVSJVPOQRCY-RYUDHWBXSA-N 299.396 0.421 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 285380501 WMCRMYMOJDBMJM-CHWSQXEVSA-N 292.383 0.582 0 50 CCAA C[C@H](CS(C)(=O)=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 426478184 VWHOAMXNSICTGT-ZIQFBCGOSA-N 258.387 0.102 0 50 CCAA CNC(=O)c1cccc(-c2cnn(-c3nnn[nH]3)c2)c1 96180373 AERHLPLSDMKDIU-UHFFFAOYSA-N 269.268 0.412 0 50 CCAA CS(=O)(=O)CCN1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 91847471 JTCIPOHOZAEGRD-QWHCGFSZSA-N 297.376 0.831 0 50 CCAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCCn1cncn1)C2 95352065 RVYMCNRMRZGMHH-NWDGAFQWSA-N 291.355 0.138 0 50 CCAA O=C(NC1CCN(C2CCOCC2)CC1)c1cnc[nH]1 244742235 OEFHPDDQIYNQTR-UHFFFAOYSA-N 278.356 0.783 0 50 CCAA CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 246977616 HCAZMJVOVJBPIV-MNOVXSKESA-N 255.362 0.487 0 50 CCAA Cn1ccc(/C=C/c2nc(O)c3cnn(C)c3n2)n1 536849244 ATNBBVBGHCYCGD-ONEGZZNKSA-N 256.269 0.973 0 50 CCAA Cc1ncn(C)c1C(=O)NCc1noc(C2CC2)n1 534648726 IFXYPUSHVGBUST-UHFFFAOYSA-N 261.285 0.919 0 50 CCAA O=C1C[C@H](C(=O)NCc2cc[nH]n2)C2(CCCC2)O1 534633024 IGEGUHRUXWLIBP-SNVBAGLBSA-N 263.297 0.902 0 50 CCAA Cc1ccc(CC(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc1C 1940196224 SVIXAICXJHUTKM-SJXGUFTOSA-N 291.347 0.489 0 50 CCAA CC(=O)N[C@H]1C[C@H](C(=O)N2CCCC(C)(C)C2)C[C@@H]1O 1940196334 CVZOZFMQPPPSSY-AVGNSLFASA-N 282.384 0.911 0 50 CCAA CC(C)(C)C(=O)C(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299795765 OZJLAWXIIJWHGV-WDEREUQCSA-N 292.339 0.566 0 50 CCAA O=C(CCCn1cccn1)NC[C@@H]1CC(=O)N(C2CC2)C1 299784226 GDBUUEUMKYKDHE-LBPRGKRZSA-N 290.367 0.790 0 50 CCAA CCc1nc(CCN[C@@H](C)CN2CCN(C)CC2)no1 823576191 TVAFAHFRFVAEFL-LBPRGKRZSA-N 281.404 0.400 0 50 CCAA Cc1cc(-c2nc(CC(N)=O)nn2C(C)(C)C)nn1C 826842463 UKNCKTKDNMEZGE-UHFFFAOYSA-N 276.344 0.770 0 50 CCAA COc1ncc(CN2CCN3C(=O)OC[C@H]3C2)cn1 824851825 KAQVRDLPESAOPP-SNVBAGLBSA-N 264.285 0.122 0 50 CCAA CN(C(=O)[C@H]1CNCCO1)C1CC(C)(C)NC(C)(C)C1 827868376 ZCKFIYWWTFPQGD-GFCCVEGCSA-N 283.416 0.742 0 50 CCAA Cc1nonc1CNC(=O)C[C@H]1CN(C(C)C)CCO1 584888037 UYCRGAZBBAFRLA-NSHDSACASA-N 282.344 0.494 0 50 CCAA CCc1nc(CN(C)S(=O)(=O)c2cnn(C)c2C)no1 670461873 CSBWPXQYGYNIAD-UHFFFAOYSA-N 299.356 0.495 0 50 CCAA C[C@H](C(N)=O)n1cc(I)cn1 42384376 PRVSVEZBFGSWGL-SCSAIBSYSA-N 265.054 0.534 0 50 CCAA in-vitro CCCCCNC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239175787 QQGWDZUOHHCMMG-GWOFURMSSA-N 253.298 0.947 0 50 CCAA CN(C)[C@H](CNC(=O)c1nc[nH]n1)c1cccc(F)c1 269390286 AMBMGCGJHWSHQR-LLVKDONJSA-N 277.303 0.977 0 50 CCAA C[C@H](NC(=O)c1csc(N)n1)c1cnn(C)c1 393830375 LICDAPFWBHFHEV-LURJTMIESA-N 251.315 0.950 0 50 CCAA C[C@@H]1C(=O)NCCCN1C(=O)COCC1CCCC1 582344363 ILVRWPLEXIIXQP-LLVKDONJSA-N 268.357 0.930 0 50 CCAA Cn1cc(-c2cncc(C(=O)NC3(C(N)=O)CCC3)c2)cn1 676671650 WWIJIGRGTHOKSK-UHFFFAOYSA-N 299.334 0.620 0 50 CCAA CCOC(=O)Cn1nc(C)cc1NC(=O)C(F)F 585125522 WDEZWEGQPJWUGN-UHFFFAOYSA-N 261.228 0.958 0 50 CCAA COc1cccc(C(=O)N[C@@H]2CNC[C@@H]2OC)c1F 195554081 YMNWPNOADZVNMQ-KOLCDFICSA-N 268.288 0.551 0 50 CCAA NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCCF 1615001955 OUEZMRYRBSAYHU-RYUDHWBXSA-N 298.314 0.530 0 50 CCAA Cc1cccc(F)c1-n1cc(CNS(C)(=O)=O)nn1 1615572345 XDQQHJLKQSRARP-UHFFFAOYSA-N 284.316 0.764 0 50 CCAA CSc1ncc(CNC(=O)c2nonc2C)n1C 1857686956 KVBOOKQDMHUTPP-UHFFFAOYSA-N 267.314 0.763 0 50 CCAA Cc1nsnc1C(=O)NCCCn1cccn1 1857687792 FKBQNTCUZMYGMG-UHFFFAOYSA-N 251.315 0.863 0 50 CCAA Cc1noc(C)c1C(=O)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857714305 PIVCNJSZMVGKKB-GRYCIOLGSA-N 280.324 0.903 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC[C@H](OC)C(C)(C)C1 861901252 WMMBPLLQNJQQHI-NSHDSACASA-N 268.357 0.904 0 50 CCAA O=C([C@@H]1C[C@@H](O)CN1)N1CCO[C@@H](c2ccccc2)C1 225536567 AYLINWTZZUBALS-HZSPNIEDSA-N 276.336 0.309 0 50 CCAA COC[C@](C)(CC(=O)O)NC(=O)c1cccc(C)n1 237104829 RZLARKPIPKJSAV-ZDUSSCGKSA-N 266.297 1.000 0 50 CCAA C[C@](O)(CO)CNC(=O)C1CCC(F)(F)CC1 216478438 BQWVOSPQPIKGPX-SNVBAGLBSA-N 251.273 0.671 0 50 CCAA COC1CN(S(=O)(=O)c2sc(C)nc2C)C1 333015907 CEBKTFSNMGCAAF-UHFFFAOYSA-N 262.356 0.779 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)[C@H]1CCCOC1 128211508 KTGGAYRSQUVXNK-VHSXEESVSA-N 257.286 0.115 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1 262781013 XUYARSXPVFWRHQ-JTQLQIEISA-N 289.353 0.419 0 50 CCAA CC(C)(C)CN1C[C@@H](NC(=O)Cn2cccn2)CC1=O 12705814 PZPIROIXFUHAJE-NSHDSACASA-N 278.356 0.646 0 50 CCAA CC(C)COC(=O)[C@H](C)Nc1n[nH]c(=S)[nH]c1=O 13555569 KABRUIQEKSGTTQ-LURJTMIESA-N 272.330 0.827 0 50 CCAA CSCC[C@@H](CO)NC(=O)c1n[nH]c2c1CCC2 154704648 JTMCOBAFTGNSTG-QMMMGPOBSA-N 269.370 0.742 0 50 CCAA Cc1nsnc1C(=O)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857702019 WHYULROKYSTWRI-UTLUCORTSA-N 283.353 0.458 0 50 CCAA O[C@@]1(Cn2ccnn2)CCN(c2ncccc2Cl)C1 671466708 PDRPVFIXCGAGDD-LBPRGKRZSA-N 279.731 0.968 0 50 CCAA C[C@H]1COCCCN1C(=O)NCc1nnnn1C1CC1 676501201 PNGRBLUKWBXFMQ-VIFPVBQESA-N 280.332 0.328 0 50 CCAA Cc1nc(N2CC[C@@H](O)C2)ncc1-c1cnn(C)c1 904741702 MSMGVQDOOXNDHO-LLVKDONJSA-N 259.313 0.757 0 50 CCAA Cc1cc(CN2CCN([C@@H]3CCCN(C)C3)CC2)n(C)n1 841841145 MRZWCWWVBHGKHS-OAHLLOKOSA-N 291.443 0.940 0 50 CCAA CN(C[C@H]1CN=C(c2cnn(C)c2)O1)C[C@H]1CCCO1 929287961 MOKWDLVSTBPNIP-CHWSQXEVSA-N 278.356 0.676 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC(c2cncn2C)CC1 1264010610 GUDIYQZNGHRVFI-UHFFFAOYSA-N 290.367 0.818 0 50 CCAA O=C1CC[C@H](NC(=O)c2cc(C3CC3)ccn2)C(=O)N1 1875293534 UDOIWGTUYQUSAH-JTQLQIEISA-N 273.292 0.494 0 50 CCAA Cn1nc(O)cc1C(=O)N1CC2(CC(C3CC3)=NO2)C1 1875299380 JBRPHUCNZBCICC-UHFFFAOYSA-N 276.296 0.507 0 50 CCAA O=C(Cn1ncc2ccccc21)NO[C@@H]1CCOC1 1875259149 UKJIOJGVYJAQPW-LLVKDONJSA-N 261.281 0.873 0 50 CCAA OC[C@@H]1CO[C@@H]2CN(Cc3cc(C4CC4)n[nH]3)C[C@@H]21 1875311082 MIJCISBHWTVKRU-MPKXVKKWSA-N 263.341 0.726 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2C[C@H](NS(=O)(=O)N3CCCC3)[C@@H]2C1 903538067 MUIYSFWQDJPZHY-DBIOUOCHSA-N 288.369 0.416 0 50 CCAA Cc1ccc(Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 238798 ZNMCOKLVIWPQEZ-UHFFFAOYSA-N 284.319 0.790 0 50 CCAA C[C@@H]1[C@H](NC(=O)N[C@@H]2CCN(CC(C)(C)O)C2)CCN1C 2325763146 IYHZQMOEFKKGAJ-JHJVBQTASA-N 298.431 0.223 0 50 CCAA Cc1ccc(Cl)cc1N(CC(N)=O)S(C)(=O)=O 379889 UDANONOSMJLJQZ-UHFFFAOYSA-N 276.745 0.900 0 50 CCAA Cn1nnnc1SCC(=O)NCCc1ccccc1 795852 CHMWUTXMRIEDCY-UHFFFAOYSA-N 277.353 0.661 0 50 CCAA O=C(O)Cn1c(CN2CCOCC2)nc2ccccc21 4942721 APEIPEJRELBPRR-UHFFFAOYSA-N 275.308 0.953 0 50 CCAA NC(=O)C1CCN(CC(=O)N2CCc3ccccc32)CC1 7458717 GNRHVTAZGGGFEK-UHFFFAOYSA-N 287.363 0.773 0 50 CCAA O=C(O)[C@@H]1C[C@H]2C[C@@H](CP(=O)(O)O)CC[C@H]2CN1 31424744 STIRHCNEGQQBOY-QEYWKRMJSA-N 277.257 0.643 0 50 CCAA in-vitro CSc1ncc(CNC[C@@]2(O)CCCNC2)n1C 72473842 RMLDDKWHLZDOPO-GFCCVEGCSA-N 270.402 0.346 0 50 CCAA CCN(CC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1)C1CC1 328629815 PEYOFBYNAPQWOU-CYBMUJFWSA-N 291.399 0.709 0 50 CCAA O=c1c2ccncc2ncn1Cc1nnnn1C1CC1 329363298 ZLUUTHXTVKCGSB-UHFFFAOYSA-N 269.268 0.161 0 50 CCAA CCN(Cc1cn(C)nn1)C(=O)[C@]1(C)CCCN=C1O 330331174 XITLTFYDQAOVRS-CYBMUJFWSA-N 279.344 0.920 0 50 CCAA O=C(NC[C@@H]1CNC[C@@H]1O)[C@H]1CCc2ccccc21 262360435 VCHHNJLTARDVEC-UBHSHLNASA-N 260.337 0.413 0 50 CCAA NC(=O)[C@@H]1CSCCN1C(=O)c1occ2c1CCOC2 376107998 ZNFYVJCJVXOJIU-JTQLQIEISA-N 296.348 0.395 0 50 CCAA O=C(O)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 238186692 QVEXOBXOKAKGTG-GHMZBOCLSA-N 282.340 0.616 0 50 CCAA Cc1n[nH]c(C)c1CCC(=O)N1CCOC[C@@H](CO)C1 77540389 BXLKXDFHAFVJAT-GFCCVEGCSA-N 281.356 0.426 0 50 CCAA N[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@H]4CC[C@H]3NC4)C[C@@H]21 333301804 IYIYXEKYHZOWLF-PEZGRIKUSA-N 277.412 0.960 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1c1nc(N)c2cnn(C)c2n1 284458362 DQPWQUILVBXELK-IUCAKERBSA-N 292.343 0.186 0 50 CCAA Cc1nc(C)n(CCCNC(=O)[C@H](C)n2cccn2)n1 426685285 KPFNKEKLBNUMEG-JTQLQIEISA-N 276.344 0.859 0 50 CCAA C[C@H](Cc1cnn(C)c1)NC(=O)N[C@@H]1CCCN(C)C1=O 527990885 RPXBKYSPYNGLFJ-ZYHUDNBSSA-N 293.371 0.271 0 50 CCAA Nc1ncccc1CNC(=O)c1nc2ccccc2[nH]c1=O 223921293 RPHFERYWAFLSRQ-UHFFFAOYSA-N 295.302 0.830 0 50 CCAA COc1ccc(C(=O)NCC2(CO)CCOCC2)o1 222870870 PWFOKTHFSKTECN-UHFFFAOYSA-N 269.297 0.807 0 50 CCAA Cc1nnsc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 190591263 UEXWOIHKEAHVRX-UHFFFAOYSA-N 289.320 0.946 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1c(C)[nH]c(C)cc1=O 426504044 QABICYNRIZFGAB-AAEUAGOBSA-N 293.367 0.441 0 50 CCAA Cc1c(C(=O)N2CCc3[nH]cnc3C2)cnc2ccnn12 96164607 MNYONUCYISZIDC-UHFFFAOYSA-N 282.307 0.959 0 50 CCAA O=C(N1CCOCC1)N1CCC(Nc2ccncn2)CC1 91593320 HIPQCMVNXIAZHK-UHFFFAOYSA-N 291.355 0.805 0 50 CCAA CN(C)Cc1csc(-c2cn(C[C@H](O)CO)nn2)c1 91643560 OVIANNNQVSSGAA-JTQLQIEISA-N 282.369 0.421 0 50 CCAA Cc1ccnc(N2CC[C@H](N3CCN(C)CC3)C2)n1 95385322 YCBGNHIMVGVYKL-ZDUSSCGKSA-N 261.373 0.611 0 50 CCAA C[C@H](NC(=O)c1ncn([C@@H]2CCCNC2)n1)[C@@H]1CCCO1 299739322 NHNNMCHQRKUUDZ-TUAOUCFPSA-N 293.371 0.500 0 50 CCAA CC(C)CC1(NC(=O)[C@H]2CCC(=O)NC(=O)N2)CC1 534652279 OJNYJSKJRAPEBY-SECBINFHSA-N 267.329 0.670 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1CCc2c(CO)nnn2C1 382707199 USECTCDQHMQMSD-MRVPVSSYSA-N 268.317 0.610 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cccs2)CN1 299794851 KKPNJNMKBVTERV-YUMQZZPRSA-N 254.311 0.381 0 50 CCAA CC(C)c1noc([C@@H](C)NC(=O)c2cnn[nH]2)n1 299785482 RVYQEARFEAUHPO-ZCFIWIBFSA-N 250.262 0.802 0 50 CCAA CC(C)N1CCO[C@@H](CC(=O)NCc2csc(N)n2)C1 821758523 GQOZQQOFFXBRKF-NSHDSACASA-N 298.412 0.841 0 50 CCAA CN1CCN(C)[C@H](Cn2cnc3cccc(F)c3c2=O)C1 584887758 IFRHPUJACAPLQR-NSHDSACASA-N 290.342 0.781 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@@](C)(CO)C1 1329947035 BCXNFOPVDVORBM-CYBMUJFWSA-N 254.330 0.252 0 50 CCAA CCC[C@]1(C(=O)O)CCN(c2cnccn2)C[C@@H]1O 1529197953 ZWCFEQZTYRYDSJ-GWCFXTLKSA-N 265.313 0.919 0 50 CCAA O=C(CC1OCCO1)O[C@H]1C[C@@H](N2CCOCC2)C1 1548590908 DWTYFMYUZKVYDI-PHIMTYICSA-N 271.313 0.156 0 50 CCAA CCOc1cc(C(=O)NC[C@@H](C2CC2)N(C)C)[nH]n1 1542140953 ANDHWDRPTZRFMP-NSHDSACASA-N 266.345 0.878 0 50 CCAA NC(=O)NCCC(=O)N1CC[C@H](N2CCCCC2)C1 408101825 UTNJLMPJJZPPKG-NSHDSACASA-N 268.361 0.132 0 50 CCAA CC(=O)N1CCCN(C(=O)N=c2ccn(C(C)C)[nH]2)CC1 408402628 OXRAYHNEECXFPS-UHFFFAOYSA-N 293.371 0.972 0 50 CCAA O=C1CC[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C(=O)N1 305894154 PRKKJISPKXLKBB-NKWVEPMBSA-N 260.240 0.343 0 50 CCAA O[C@H]1CN(Cc2cscn2)CC[C@@H]1Nc1ncccn1 1565510082 PSJPJHVUQBIJGQ-RYUDHWBXSA-N 291.380 0.980 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)N(C)C1 408037720 DCWRLPGNRCOWLK-JSGCOSHPSA-N 292.383 0.835 0 50 CCAA O=C(c1cc[nH]c1)N1CCN(c2cncc3ncnn23)CC1 275592450 HMDKPRMNKIJJCG-UHFFFAOYSA-N 297.322 0.415 0 50 CCAA Cn1cc(N2CCN(CCOCC(F)F)CC2)cn1 189490862 JRAFOMHTADJHCS-UHFFFAOYSA-N 274.315 0.824 0 50 CCAA COC[C@@H]1CN(C(=O)Nc2ccncn2)CCO1 194123265 XKASLOVZSYATLS-VIFPVBQESA-N 252.274 0.356 0 50 CCAA CCCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 6701976 PLGPAHMSHJKPAS-UHFFFAOYSA-N 292.382 0.746 0 50 CCAA N[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 1771855905 JBSWSQQINLGISM-RVMXOQNASA-N 279.384 0.631 0 50 CCAA COc1ncccc1CN1CC2(CNC(=O)N2C)C1 1857714061 JZNHPJOUUWIRAX-UHFFFAOYSA-N 262.313 0.300 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3ncc[nH]3)C[C@H]2O)n[nH]1 1529145312 HBLNPOUASNWVSS-ZYHUDNBSSA-N 261.329 0.477 0 50 CCAA O=C(c1cnc(O)[nH]1)N1CCC[C@]2(CCOC2)C1 1857685633 MYHKIOFPSJUXPB-LBPRGKRZSA-N 251.286 0.758 0 50 CCAA CC(C)(C)OC(=O)COCCOCCOCC(=O)O 115496241 WYKFNBVLFMLHMP-UHFFFAOYSA-N 278.301 0.463 0 50 CCAA Cn1cc(C(C)(C)C(=O)N2CC(C)(CO)C2)cn1 622649885 LBFVQAJPHXPYNA-UHFFFAOYSA-N 251.330 0.539 0 50 CCAA NS(=O)(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 152558688 IIQKNCJZUAOXGS-SSDOTTSWSA-N 276.749 0.107 0 50 CCAA COC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(=O)O 230102145 JMYNKCKMKVFTKG-JTQLQIEISA-N 298.320 0.245 0 50 CCAA COC(=O)[C@H]1CN(c2ncnc3ccc(C)nc23)CCO1 1857728145 PFGZLOIIXVHYBE-LLVKDONJSA-N 288.307 0.711 0 50 CCAA COCCn1cncc1CN1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857729808 TUTXZTVZRXITNY-VHDGCEQUSA-N 295.383 0.501 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)N1CCN(CC(=O)NC)CC1 408382492 DBUOKUKJTANAPF-CHWSQXEVSA-N 297.399 0.082 0 50 CCAA CN1CCCN(c2ncnc(N)c2Cl)CC1=O 225490135 BHTATRWTEDJWRD-UHFFFAOYSA-N 255.709 0.381 0 50 CCAA CNC(=O)[C@@H]1CN(Cc2cccc3c2CCOC3)CCO1 639596248 JTLRRRKBUHCWJC-HNNXBMFYSA-N 290.363 0.706 0 50 CCAA C[C@@H]1NCCC[C@@H]1C(=O)N1CCNC[C@H]1c1cccnc1 333418687 SEPIXTDZVDTSFR-QEJZJMRPSA-N 288.395 0.943 0 50 CCAA COc1cc(OC)nc(C(=O)Nc2cnc(C)cn2)n1 906079822 HAWRYYDPYXSQHI-UHFFFAOYSA-N 275.268 0.845 0 50 CCAA CN(C)c1n[nH]c(CNS(=O)(=O)c2ccsc2)n1 907376156 ZTQVNTMRFMFVSX-UHFFFAOYSA-N 287.370 0.411 0 50 CCAA CN1CCCC[C@@H](C(=O)Nc2ncccc2CO)C1=O 827309387 ZATBROYDCARHEK-NSHDSACASA-N 277.324 0.771 0 50 CCAA CC[C@H]1CC[C@@H](C(=O)N2CCS(=O)(=O)CCO2)O1 1875276425 GQDNKRWDCMDYPP-UWVGGRQHSA-N 277.342 0.133 0 50 CCAA CO[C@@H]1CCC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1875264524 MBSXYHXTTHSFQQ-WDEREUQCSA-N 295.339 0.001 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H]1CC[C@@H]2CN(C)C[C@H]2C1 1875376720 GPPOJTUHUCPOOI-TUCADOHPSA-N 265.401 0.951 0 50 CCAA O=C(O)c1cc(CN[C@H]2CCO[C@]3(CCOC3)C2)[nH]n1 1875345347 XYAMRJXLTTYCFZ-TVQRCGJNSA-N 281.312 0.536 0 50 CCAA Cc1n[nH]cc1C(=O)NC[C@H]1CCO[C@@H]1c1cn[nH]c1 886071897 PDUMNXVYEPTADV-SKDRFNHKSA-N 275.312 0.949 0 50 CCAA Cc1cnn([C@@H]2[C@@H](N[C@H]3CCCS(=O)(=O)C3)C[C@H]2O)c1 1775959586 ILGAGPPSLXJMKJ-WUHRBBMRSA-N 299.396 0.033 0 50 CCAA CC(C)n1nccc1CN1CCO[C@H]2CNC[C@H]21 299744275 RPWNMYZDPQKUBU-OLZOCXBDSA-N 250.346 0.637 0 50 CCAA Cc1cc(N2CCC(F)(F)[C@H](CO)C2)n2ncnc2n1 403868387 SDYFNGJSUFBWNB-VIFPVBQESA-N 283.282 0.887 0 50 CCAA CNc1ncccc1C(=O)N[C@H]1CCOC[C@@H]1OC 311957311 YUIKEBPTPRNOEM-QWRGUYRKSA-N 265.313 0.657 0 50 CCAA NC(=O)c1cccnc1NCC1(CO)CCOCC1 534673830 YAUCRDANHAVALT-UHFFFAOYSA-N 265.313 0.382 0 50 CCAA CC[C@@H](C(=O)O)N1CCN(Cc2nccn2CC)CC1 682852991 LGDWNZXIJSYIJC-LBPRGKRZSA-N 280.372 0.884 0 50 CCAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)CN2CCCC2=O)C1 379219849 PMWNTFWDPFOURZ-DTWKUNHWSA-N 293.289 0.489 0 50 CCAA CC(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C 380549 SUXGNVXVBNEMKX-UHFFFAOYSA-N 250.302 0.480 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@@]1(C)CCCC[C@H]1O 859866037 SMDFKVUXWDQESP-BXUZGUMPSA-N 268.357 0.688 0 50 CCAA CN(CC(N)=O)S(=O)(=O)c1ccc2ccccc2c1 620266 KZNKZYHXNPXAOI-UHFFFAOYSA-N 278.333 0.946 0 50 CCAA CC(C)CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCCC(C)C 1672969 VOBHVQRBBHSZAZ-RYUDHWBXSA-N 290.356 0.887 0 50 CCAA Cc1ncn(C)c1C(=O)N1CCC[C@@]12CCCN(C)C2=O 2356167324 XGQPTVOJILNKKB-OAHLLOKOSA-N 290.367 0.956 0 50 CCAA COCCNCc1ccc(OCC(N)=O)c(OC)c1 6702748 NRSQRKZHSPDRFF-UHFFFAOYSA-N 268.313 0.295 0 50 CCAA CCCCS(=O)(=O)N1CCC[C@H](C(=O)NC)C1 6747089 UVZBSLOWBGQOPK-JTQLQIEISA-N 262.375 0.574 0 50 CCAA COCCOc1cc(C(=O)N2C[C@@H](F)C[C@H]2CO)ccn1 347368359 GAMYYBSJXQYWNQ-RYUDHWBXSA-N 298.314 0.652 0 50 CCAA CCOCC[C@@H](O)CN1CCN(C[C@H](O)CC)CC1 225530063 QGYFNUCDPODDMJ-ZIAGYGMSSA-N 274.405 0.162 0 50 CCAA CCc1c(C)nc(N)nc1N1CCN(C)[C@@H](CO)C1 108041344 QPGAWJSNYAASJZ-SNVBAGLBSA-N 265.361 0.042 0 50 CCAA CC1(C)CNC(=O)c2nc(CCN3CCCC3=O)[nH]c2C1 65407520 DWUOIYFQTMPOAI-UHFFFAOYSA-N 290.367 0.887 0 50 CCAA COC(=O)[C@@H](C)CNS(=O)(=O)N1CCC[C@@H](C)C1 229891725 WVPNNCKHYYEEIT-ZJUUUORDSA-N 278.374 0.362 0 50 CCAA O=C(c1cn(-c2ccccc2)nn1)N1CCOC[C@@H](O)C1 77357471 FTDZQMIVUCSSDF-LBPRGKRZSA-N 288.307 0.101 0 50 CCAA COC[C@@H](C)N[C@@H]1CCCN(c2nccnc2O)C1 328626060 DUBCJCJHHVJEIK-GHMZBOCLSA-N 266.345 0.776 0 50 CCAA Cc1cc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)n[nH]1 328632750 SCJPYDRSRSQQSE-GWCFXTLKSA-N 289.339 1.476 0 50 CCAA COc1cc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)on1 328628947 OFXPRJKHLYIDMO-SECBINFHSA-N 291.311 0.535 0 50 CCAA CC(C)n1ncnc1CNS(=O)(=O)C[C@@H]1CCCO1 330888444 ASPQPSYVCZVIPS-JTQLQIEISA-N 288.373 0.457 0 50 CCAA COc1ccc(C)cc1S(=O)(=O)N1CCNCC1 35397960 OTZDJRLJTNJMBN-UHFFFAOYSA-N 270.354 0.598 0 50 CCAA Cn1ncnc1CN1CCCC[C@H]1c1nc(O)n[nH]1 329578993 KRNQJKMVYSYCRS-QMMMGPOBSA-N 263.305 0.366 0 50 CCAA CCNC(=O)CN(CC)C(=O)[C@@H]1C[C@]12CCOC2 364848176 AQFKYOVCRHJWHP-GWCFXTLKSA-N 254.330 0.398 0 50 CCAA CO[C@H]1CN(C(=O)COc2cccnc2)CC[C@H]1N 71749407 BOMWJGIOILWINN-NEPJUHHUSA-N 265.313 0.035 0 50 CCAA O=C(Nc1ccc2c(c1)OCCO2)N1CCOCCN1 333948502 WKSBNENVMILKOC-UHFFFAOYSA-N 279.296 0.827 0 50 CCAA CON(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 44127113 KLTDXKJVANISAN-SECBINFHSA-N 274.317 0.642 0 50 CCAA Cc1cc[nH]c1C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 284598871 HPSFJUIJRCDUHL-NEPJUHHUSA-N 263.341 0.868 0 50 CCAA Cc1cc(=O)[nH]c(NCCNC(=O)CCC(F)(F)F)n1 223340992 YTTSCQXTPQNTPZ-UHFFFAOYSA-N 292.261 0.949 0 50 CCAA CC(C)n1nccc1C(=O)NC[C@H]1COCCN(C)C1 426388165 OBOWAVVCHAHCPS-GFCCVEGCSA-N 280.372 0.772 0 50 CCAA CC1(C)CC(NC[C@@H]2CCNC[C@H]2O)CC(C)(C)N1 426519184 FAXLDMPBQLKNRZ-WCQYABFASA-N 269.433 0.856 0 50 CCAA CCOC(=O)N1CC[C@H](N2CCC3(CC2)CNCCO3)C1 426399192 JDGJFRLYSIJERT-ZDUSSCGKSA-N 297.399 0.672 0 50 CCAA O=C(CCn1cnnn1)Nc1n[nH]c(-c2ccccc2)n1 524735649 PTTQVFBHNHTQDR-UHFFFAOYSA-N 284.283 0.487 0 50 CCAA COc1cc2c(cc1CN1CCOC[C@@H]1C(=O)O)OCO2 244795029 QYHDBFPIQDJQIQ-SNVBAGLBSA-N 295.291 0.709 0 50 CCAA Cc1ccnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c1 299753919 ZUATYXWGYWSJPV-LLVKDONJSA-N 286.339 0.922 0 50 CCAA O=C(N[C@H]1CCCN(Cc2cccnc2)C1)c1cnn[nH]1 534590832 CIADVHGPESJPNF-LBPRGKRZSA-N 286.339 0.594 0 50 CCAA CSCCC(=O)N[C@H]1COC[C@@H]1N1CCCC1 534650111 HQMIWGKQVPOCTR-QWRGUYRKSA-N 258.387 0.719 0 50 CCAA O=C(NCCN1CCNC1=O)Nc1ccc(Cl)nc1 299772704 BEMKGACBGLICHW-UHFFFAOYSA-N 283.719 0.882 0 50 CCAA Cc1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)O)nn1C 655599148 KUDGTPLBRAEPOQ-LBPRGKRZSA-N 288.307 0.549 0 50 CCAA C[C@H](CN1CCN(C)CC1)NCC1(Cn2ccnc2)CC1 823789489 WLNIBGHPTLGRJG-OAHLLOKOSA-N 291.443 0.889 0 50 CCAA CCn1nc(C)c([C@H](C)NC(=O)C2=NNC(=O)CC2)c1C 823593452 URTBSDQGCLYEEP-QMMMGPOBSA-N 291.355 0.963 0 50 CCAA O=C1CC[C@@H](N2CCC(O)(CN3CCCC3)CC2)CCN1 828305339 IXBJPUKVQCKRRT-CQSZACIVSA-N 295.427 0.578 0 50 CCAA O=C(C[C@H]1CCOC1)NCCN1CCCCC1=O 584885605 WNPAPHJEIZZTNY-LLVKDONJSA-N 254.330 0.542 0 50 CCAA Cc1nonc1CNC(=O)CN(C)Cc1ccncc1 584885114 QIMWJHGTHWRCOO-UHFFFAOYSA-N 275.312 0.521 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)N(C)Cc1cscn1 584896591 XWCQKXSEQDHSPU-SECBINFHSA-N 277.415 0.903 0 50 CCAA Cc1nnc(C2(C)CN(C(=O)NCCN(C)C3CC3)C2)o1 952891090 WCHNNUKTSQQOIG-UHFFFAOYSA-N 293.371 0.755 0 50 CCAA C[C@@H](C(=O)O)N1C[C@@H](NC(=O)OC(C)(C)C)CC1=O 953095568 CYTYYYDNPYXXOF-YUMQZZPRSA-N 272.301 0.585 0 50 CCAA Cn1cccc1[C@H]1COCCN1C(=O)c1ncc[nH]1 1447525587 SHIKIQBOPKDNGZ-LLVKDONJSA-N 260.297 0.962 0 50 CCAA CC(=O)SCCOCCOCCOCCC(=O)O 83254033 HJNQYRKIZPTUQT-UHFFFAOYSA-N 280.342 0.791 0 50 CCAA in-vitro CC(C)(C)n1[nH]cnc1=NC(=O)[C@@]1(C)CCCO1 407992105 ZGEFPBHBFMBTCP-GFCCVEGCSA-N 252.318 0.963 0 50 CCAA CS(=O)(=O)NC(=O)C[C@H]1COc2ccccc2O1 408488569 ZBAKGZPKRRYINR-QMMMGPOBSA-N 271.294 0.292 0 50 CCAA Cc1nc(S(=O)(=O)NCC(C)(C)O)sc1C 408433817 NNAGOKTXBJAVIA-UHFFFAOYSA-N 264.372 0.809 0 50 CCAA Cc1c(CC(=O)N(C)[C@H]2CCNC2)nnn1-c1ccccc1 269145220 CERUKTVTDQTEKL-AWEZNQCLSA-N 299.378 0.939 0 50 CCAA C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@]2(CCO[C@@H]2C)O1 547748672 YPQMSXBKAUMRSM-JMSVASOKSA-N 293.367 0.758 0 50 CCAA CN1CCC[C@@H]1CN1CCN(c2cnccn2)CC1 244659509 HDXZSAMBYROYRG-CYBMUJFWSA-N 261.373 0.693 0 50 CCAA CN(CCC(=O)O)c1ncccc1S(C)(=O)=O 168315597 HTSHNFDPLFZQKE-UHFFFAOYSA-N 258.299 0.396 0 50 CCAA COCC(COC)NC(=O)N1CC[C@H](C)[C@H](C(=O)O)C1 573680479 ATLITJWBVHYUKN-GXSJLCMTSA-N 288.344 0.400 0 50 CCAA CN1CC(=O)N(c2cccc(C(=O)NC3CC3)c2)C1=O 278061917 MOCYDXBSNXCVGN-UHFFFAOYSA-N 273.292 0.977 0 50 CCAA CO[C@@H]1CN(C(=O)c2cnn3c2CCC3)[C@@](C)(CO)C1 634071153 QSYKVXIZDKSLSM-IINYFYTJSA-N 279.340 0.441 0 50 CCAA O=C(NC[C@H]1CCC[C@H]1O)c1cnnn1C1CCNCC1 662527031 IUJJBNVCZIJFLM-ZWNOBZJWSA-N 293.371 0.093 0 50 CCAA COc1nc(C)cc(N[C@@H]2C[C@@H](C(=O)O)C[C@@H]2O)n1 662895987 HSGKIHPIZVVJCJ-HLTSFMKQSA-N 267.285 0.430 0 50 CCAA CN(CC(=O)N1CCOC[C@H]1C(=O)O)c1ccccc1 648450822 KPLYBAGFZGNYLJ-LBPRGKRZSA-N 278.308 0.435 0 50 CCAA CN(C(=O)CN(C)S(C)(=O)=O)c1cccc(Cl)n1 585088820 CUNZIROEGXRXEI-UHFFFAOYSA-N 291.760 0.589 0 50 CCAA CCC1(N)CCN(C(=O)[C@]23CNC[C@H]2CCOC3)CC1 1615549692 WOOFRBDCAJIYSY-DOMZBBRYSA-N 281.400 0.342 0 50 CCAA O[C@@H]1CN(Cc2ccncc2)C[C@H]1Cc1cnccn1 1529196571 BWKOZNBTQVYZRP-UKRRQHHQSA-N 270.336 0.907 0 50 CCAA COc1ccc(C)cc1C(=O)N[C@@H]1CCOC[C@H]1O 222849445 JTHGIEWJQYBSQO-VXGBXAGGSA-N 265.309 0.883 0 50 CCAA CCOc1ccc(CC(=O)N(C)[C@H]2COC[C@@H]2O)cc1 223673471 CFKQCBPJFRYVCS-KBPBESRZSA-N 279.336 0.846 0 50 CCAA Cc1nc(C(=O)NCc2n[nH]c(=N)s2)cs1 1857694647 GUFGVBUDEFYUPL-UHFFFAOYSA-N 255.328 0.646 0 50 CCAA CCNC(=O)c1ccc(NCCCc2nn[nH]n2)nc1 1704301262 RWIZBFMVRJHNKN-UHFFFAOYSA-N 275.316 0.389 0 50 CCAA CCC[C@H](C)CS(=O)(=O)N1CCC[C@H]1C(N)=O 245289976 GLHAJIDYPDMEGQ-UWVGGRQHSA-N 262.375 0.702 0 50 CCAA COC(=O)c1cc(S(C)(=O)=O)ccc1S(C)(=O)=O 169726152 ZIGBRRKSEGVVOE-UHFFFAOYSA-N 292.334 0.280 0 50 CCAA Cc1nc([C@H]2CCn3ncnc3C2)n(-c2ccnn2C)n1 1857674373 FPISKNRZRULAIV-JTQLQIEISA-N 284.327 0.631 0 50 CCAA Cc1ccccc1CCC(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875246629 DFAYXCFAOASILK-RRCSTGOVSA-N 291.347 0.571 0 50 CCAA Nc1nccnc1C(=O)N[C@H]1CCC[C@H]1C(=O)O 238059311 XMMXGGBMXYOAKV-RQJHMYQMSA-N 250.258 0.042 0 50 CCAA Cc1noc2ncn(CCO[C@@H]3CCOC3)c(=O)c12 917909879 ZYMJICZNEUWORZ-SECBINFHSA-N 265.269 0.498 0 50 CCAA C/C(=C\CN)C(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C 952893447 HSDJXFUWGZMVMS-KFRNIWOLSA-N 278.356 0.831 0 50 CCAA CN1C(=O)CC[C@H](NC(=O)c2cccc(O)c2F)C1=O 1162574745 MTTSQNZLDXKWDJ-QMMMGPOBSA-N 280.255 0.409 0 50 CCAA CNC(=O)C[C@@H]1CN(C(=O)c2coc(Cl)c2)C[C@H]1O 1875403954 MRLCADCQZAWSBB-VXNVDRBHSA-N 286.715 0.502 0 50 CCAA O=C(C[C@H]1CCNC1=O)Nc1ccc2c(=O)[nH]ccc2c1 880671126 GYXPXNHVSBCMKB-SNVBAGLBSA-N 285.303 0.993 0 50 CCAA CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H](O)C(=O)N2)CC1 1772797819 ZTKKUHVQXIJPRT-QWRGUYRKSA-N 284.356 0.883 0 50 CCAA CC(=O)NCc1ccc(C(=O)N2CCC[C@H](N)C2)cc1 269117181 OSIREJPGVOCLTC-AWEZNQCLSA-N 275.352 0.886 0 50 CCAA COCCNC(=O)CNC(=O)c1ccc2n[nH]cc2c1 530597589 YAPOXHSUSUZJJL-UHFFFAOYSA-N 276.296 0.055 0 50 CCAA C[C@@H](C(=O)NCc1ccc(CC(=O)O)cc1)S(C)(=O)=O 630234802 PBHRJLFVYSRLFG-VIFPVBQESA-N 299.348 0.363 0 50 CCAA NC[C@H]1CN(C(=O)Cc2cn3ccsc3n2)CCCO1 582724992 KJVHIWQKUSENHI-NSHDSACASA-N 294.380 0.515 0 50 CCAA O[C@@H]1CN(c2cc(-n3ccnc3)ncn2)CC12CC2 1320753438 WBOHAWFAWINNBJ-SNVBAGLBSA-N 257.297 0.623 0 50 CCAA CS(=O)(=O)NCCSc1nnnn1-c1ccccc1 2869105 ACJCKTBULWPNCP-UHFFFAOYSA-N 299.381 0.304 0 50 CCAA NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 617079 BPYSDGKSIAXINK-SNVBAGLBSA-N 272.301 0.464 0 50 CCAA CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(OC)c1 2851492 JDYWGYFQYKISMK-VIFPVBQESA-N 266.297 0.521 0 50 CCAA COc1ncccc1CN1CCN(C)[C@H](CCO)C1 104637972 RDBHVISFPRRWEN-CYBMUJFWSA-N 265.357 0.589 0 50 CCAA Cc1cccc(C(=O)N2CCNC(=O)[C@H]2CCO)c1Cl 20995756 AWQIZYKWERDEMW-LLVKDONJSA-N 296.754 0.971 0 50 CCAA C[C@@H]1C(=O)N(C)CCN1C(=O)Cn1nc2ccccc2n1 67872967 LEASEKBCOBKQSC-SNVBAGLBSA-N 287.323 0.120 0 50 CCAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCOC[C@@H](O)C1 77426719 NMCASZKBBXUPDK-ZDUSSCGKSA-N 287.319 0.910 0 50 CCAA O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccon1 328586785 QPYMENBOHGUPRY-ZDUSSCGKSA-N 297.380 0.612 0 50 CCAA COCCn1nnc2c1CCN(C(=O)C1[C@H]3CCC[C@H]13)C2 329268482 GLMVCUYZUVHEBP-QWRGUYRKSA-N 290.367 0.855 0 50 CCAA O=C1C[C@H](C(=O)N2CCc3ccncc32)CN1c1cn[nH]c1 363870882 ZDBAMWKOMXEEJE-NSHDSACASA-N 297.318 0.747 0 50 CCAA Cc1nc(C(=O)NCCc2nc(=O)o[nH]2)c(C)s1 280148016 QQIMOSYLDHEOLS-UHFFFAOYSA-N 268.298 0.409 0 50 CCAA CN1CCC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1=O 332607753 OYPJSWQLXPIGRM-ZDUSSCGKSA-N 299.330 0.879 0 50 CCAA CC(=O)N[C@H]1CCN(c2ncnc3c2c(C)nn3C)C1 72433612 BJZYIKJDZQXCFP-JTQLQIEISA-N 274.328 0.387 0 50 CCAA CN1CC[C@H](CNS(=O)(=O)c2cccnc2)C1 333217272 VUASWINBCWADEZ-SNVBAGLBSA-N 255.343 0.312 0 50 CCAA CCCC[C@@H](NC(N)=O)C(=O)N1CCN(C)C[C@H]1C 239653723 BKXQIFXVQUBXDU-GHMZBOCLSA-N 270.377 0.376 0 50 CCAA COc1cc2c(cc1OC)[C@]1(OC(=O)NC1=O)C(=O)N2 226795978 TYGJCPGRNJTBFD-LBPRGKRZSA-N 278.220 0.118 0 50 CCAA O=C(CCc1nnc[nH]1)N[C@H]1COc2ccccc2C1 177155378 GIWOVCPGJCJKTD-LLVKDONJSA-N 272.308 0.857 0 50 CCAA Cc1nc(CNC(=O)[C@H]2CCCCCN2C)cc(=O)[nH]1 95383093 MAYVRRRVWMUHBM-GFCCVEGCSA-N 278.356 0.569 0 50 CCAA Cn1cc(Cl)c(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3O)n1 91536852 HWGBHDZMDYRRIK-AOOOYVTPSA-N 299.758 0.421 0 50 CCAA O=C(Nc1cccc2cn[nH]c12)N1CCOC[C@@H](O)C1 95530868 RCWBGHIUDBXZCB-JTQLQIEISA-N 276.296 0.788 0 50 CCAA Cc1ccc(CCNC(=O)N2CCN3C(=O)OC[C@@H]3C2)o1 426527656 DFJSGTVKEIIKAC-NSHDSACASA-N 293.323 0.977 0 50 CCAA CCN(CCO)C[C@@H]1CN(Cc2nc(C)c[nH]2)C[C@@H]1CO 92020869 HFMNUNKZIQDBLU-ZIAGYGMSSA-N 296.415 0.073 0 50 CCAA CC(C)n1ccnc1CNC(=O)Nc1cn(C)nn1 96153722 URXXPDZIDBCUGY-UHFFFAOYSA-N 263.305 0.914 0 50 CCAA CCS(=O)(=O)N1C[C@@H](C)N(S(=O)(=O)CC)C[C@H]1C 239402573 QUOOCZODADXQSU-NXEZZACHSA-N 298.430 0.080 0 50 CCAA CC(C)(C)c1nnc(N2CC(N3CCOCC3)C2)o1 95387929 JGOGLOGCDJFVRR-UHFFFAOYSA-N 266.345 0.888 0 50 CCAA CC(=O)N1CCC[C@@H](C(=O)NCCn2cccc2)C1 95386807 UGGVVAGCBUMRAD-CYBMUJFWSA-N 263.341 0.863 0 50 CCAA CNc1nc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cs1 91746503 KWFLYPQECTZKTA-BDAKNGLRSA-N 266.370 0.994 0 50 CCAA CN(CCO)C[C@@H]1CN(Cc2cccnc2)C[C@@H]1CO 91757510 LYRMULKQHMTLHC-HUUCEWRRSA-N 279.384 0.046 0 50 CCAA CN(C)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 526062141 SAVYPYVKXWCVCE-OINDSLJFSA-N 250.298 0.106 0 50 CCAA COc1cccc(C=c2sc3ncnn3c2=O)c1OC 254485232 LFYYKHFPMXBSFE-UHFFFAOYSA-N 289.316 0.716 0 50 CCAA C[C@H](CC(=O)NC1(C(=O)O)CCOCC1)n1cccn1 534659044 AHEKCGPHYUJUAP-SNVBAGLBSA-N 281.312 0.584 0 50 CCAA CCN1CCNC2(CCC3(CC2)OCCO3)C1=O 382739085 CAASQIUZOUHREF-UHFFFAOYSA-N 254.330 0.494 0 50 CCAA COCc1noc(CNC(=O)C[C@H](C)n2ccnc2)n1 299778649 SFZINFWPMJSVDW-VIFPVBQESA-N 279.300 0.680 0 50 CCAA O=C(CCn1cccc1)NCCN1CCC[C@@H](CO)C1 299762170 LNLOBJYJANLKJT-CQSZACIVSA-N 279.384 0.699 0 50 CCAA C/C=C/CC(=O)N1CCC(N2CCN(CCO)CC2)CC1 828760423 KHPJOEWVAWUUNB-NSCUHMNNSA-N 295.427 0.554 0 50 CCAA CCCN1CC[C@@H](NS(=O)(=O)c2cccnc2)C1 660029262 YGZJKQHYIJTDHX-LLVKDONJSA-N 269.370 0.844 0 50 CCAA CO[C@H]1CN(C2CCN(C(=O)C(C)C)CC2)C[C@@H]1O 670437761 YPROVPHJKOGZPY-STQMWFEESA-N 270.373 0.325 0 50 CCAA Cc1nnnn1CCCN1C[C@H](C(=O)O)[C@@H](C2CC2)C1 1073369742 WCGNLMDNPCYLCV-NEPJUHHUSA-N 279.344 0.414 0 50 CCAA Cn1cc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)nc1O 1361695372 WSGFRFLBUYXDGB-ZETCQYMHSA-N 292.261 0.492 0 50 CCAA N[C@H](Cc1c(F)cccc1F)C1(O)CCNCC1 958528642 RDQSKXLUTRMHEG-GFCCVEGCSA-N 256.296 0.949 0 50 CCAA CC(C)c1ccc(C(=O)N[C@H]2COCC[C@@H]2O)c(O)n1 1565528391 ZVZRMXJXEYPTMU-RYUDHWBXSA-N 280.324 0.790 0 50 CCAA CCn1cc(O[C@@H]2CN(Cc3ccn(C)c3)C[C@H]2O)cn1 628375578 NDLMGUQTXAWNAL-HUUCEWRRSA-N 290.367 0.866 0 50 CCAA CC(C)[C@H](CO)ONC(=O)[C@@H]1CCCCC(=O)N1 408522273 GQRJCTVQXYFWHJ-UWVGGRQHSA-N 258.318 0.110 0 50 CCAA CC(C)(O)CNC(=O)[C@@H]1COCCN1CC1CCC1 170083341 LVGWKSGJCOSGAX-LBPRGKRZSA-N 270.373 0.374 0 50 CCAA C[C@@H]1CN(C(=O)c2cc[nH]n2)CCN1CC(C)(C)O 170602693 YTEMUSHGUHTHMR-SNVBAGLBSA-N 266.345 0.327 0 50 CCAA N=c1[nH]cc(CNC[C@@H]2CSCCS2)c(=N)[nH]1 585118660 XTDXIPLJOHCBQJ-MRVPVSSYSA-N 271.415 0.240 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2cnccn2)CC1 188240759 GMFFTHARKRSYJM-QWHCGFSZSA-N 290.367 0.940 0 50 CCAA CC(C)CN1C[C@H](C(=O)N2CC(OC(F)F)C2)CC1=O 573310443 PEVLCHKZEQMJBZ-SECBINFHSA-N 290.310 0.941 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(COC[C@H](CN)O2)C1 757135916 AEVWDUDQJIBJDU-GWCFXTLKSA-N 272.345 0.740 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1C[C@H]1C1CC1 237130280 NSVFFOLAEJXKPS-QWRGUYRKSA-N 254.330 0.507 0 50 CCAA Cc1cnnc(N2CC[C@@H](N3CCN(C)CC3)C2)c1C 1857674859 ALQVICZPSRSKHF-CQSZACIVSA-N 275.400 0.920 0 50 CCAA CNC(=O)c1noc(CN(C)Cc2ncccc2C)n1 1529146072 WHDMNXCVAGHWAZ-UHFFFAOYSA-N 275.312 0.765 0 50 CCAA CC(C)c1noc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)n1 1704312582 VNLIGNFLAYZLFL-BETUJISGSA-N 295.295 0.554 0 50 CCAA CO[C@@H](C(=O)N1CC[C@@H]2C[C@]2(O)C1)c1cnn(C)c1 1875278488 FASKQYUUQRDMLZ-WZRBSPASSA-N 265.313 0.091 0 50 CCAA NC1(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)CCCC1 1704340027 COBUXHHMMYGMQM-KGLIPLIRSA-N 289.379 0.715 0 50 CCAA CCC[C@H](NC(C)=O)C(=O)N(CCO)Cc1ncc[nH]1 1704306600 PYRZPWSZRCITQJ-NSHDSACASA-N 282.344 0.035 0 50 CCAA C[C@@]1(C(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)CCCCO1 1772702311 QVCGSQNOAKQNSA-LOWVWBTDSA-N 269.341 0.005 0 50 CCAA O=C(Cn1cnnc1)NCc1cccn2nccc12 1772804162 IELUTKQEGAZLTP-UHFFFAOYSA-N 256.269 0.242 0 50 CCAA Cc1nn(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C)c(C)c1C 12517952 TWANOKXPLZDJFH-UHFFFAOYSA-N 288.311 0.071 0 50 CCAA NC(=O)[C@H]1c2ccccc2CCN1C(=O)CCn1cccn1 377585995 YFDVEWQYHPYIAG-OAHLLOKOSA-N 298.346 0.885 0 50 CCAA CS(=O)(=O)N1CCOc2ccccc2[C@H]1C(=O)O 903516274 YSFGDSNGNYBPDO-JTQLQIEISA-N 271.294 0.466 0 50 CCAA CCc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)nc1 1704325811 SBRFYXJSUFGCKF-HIFRSBDPSA-N 289.379 0.933 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1c(C)nn(CC)c1C 859136715 PLOSNUAFROPTQY-UHFFFAOYSA-N 278.356 0.780 0 50 CCAA CN(C)[C@@H]1C[C@H](NS(=O)(=O)c2ncc[nH]2)C12CCC2 952882168 JBJPDBWYIDAMHK-VHSXEESVSA-N 284.385 0.561 0 50 CCAA Cc1cnn([C@@H]2[C@@H](N[C@@H]3CCn4ccnc43)C[C@H]2O)c1 1875266314 IGYDUMNGDKEGAD-YVECIDJPSA-N 273.340 0.797 0 50 CCAA Cc1nocc1CC(=O)NCCN1C(=O)CSC1=O 1875274145 NLUZDBHMOFCGOT-UHFFFAOYSA-N 283.309 0.337 0 50 CCAA COC[C@@](C)(NC(=O)c1ccc(C)c(C(=O)O)c1)C(N)=O 1875268901 BCKDGQGNSGBNJF-CQSZACIVSA-N 294.307 0.313 0 50 CCAA CN(C(=O)Cc1ccc(CN)cc1)[C@H]1CCCCNC1=O 1875287775 ZDAWWBUNQBSWLF-AWEZNQCLSA-N 289.379 0.815 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1CC(C2=NOCC2)C1 1875301706 QTOXTNWJBSXKKS-UHFFFAOYSA-N 288.307 0.908 0 50 CCAA COC(=O)N1CC[C@H](NCC2(n3cncn3)CC2)C1(C)C 1875396583 NQMUPXXMMQPTAD-NSHDSACASA-N 293.371 0.976 0 50 CCAA CNC(=O)C1(NC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875404473 KEZJCULFZQHQLI-JGVFFNPUSA-N 292.339 0.440 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N(C)C)CN(C(=O)OC(C)(C)C)C1 1775998354 AICAQRTWXLTMAR-MNOVXSKESA-N 285.388 0.920 0 50 CCAA O=C1NC(=O)[C@@]2(CCCN(C(=O)c3ccsc3)C2)N1 168069206 LWQNJEPACNTRLR-LBPRGKRZSA-N 279.321 0.562 0 50 CCAA N[C@@H]1CCCN(C(=O)Cc2cn3ccccc3n2)C1 157717911 GBLKRNLGBXSYSN-LLVKDONJSA-N 258.325 0.827 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N(C)C1(CO)CC1 288888009 IGNGRMDWLCQKBN-UHFFFAOYSA-N 260.315 0.437 0 50 CCAA C1CC1n1nnnc1CN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 329784645 WFMBKRYPCCIVKB-NNYUYHANSA-N 261.329 0.617 0 50 CCAA Cc1nnsc1C(=O)N1CCC[C@H](OCCO)C1 330954529 AMEDFXULQRBPOP-VIFPVBQESA-N 271.342 0.460 0 50 CCAA O=C(O)CCN1CCN(C(=O)[C@@H]2CC23CCC3)CC1 426517764 CWIAYZYKMXBPPY-NSHDSACASA-N 266.341 0.796 0 50 CCAA CCOc1ccc(S(=O)(=O)N[C@@H]2CCNC2=O)cc1C 534581869 ZXDQOYUHVXKYKI-LLVKDONJSA-N 298.364 0.561 0 50 CCAA CN(C)[C@H]1CN(Cc2cccc(C(=O)O)c2)C[C@@H]1O 215915036 PUEBWYHBHSRIHX-STQMWFEESA-N 264.325 0.492 0 50 CCAA O=C(Nc1ccc2c(c1)OCO2)NN1CCOCC1 611623 NLLBGLJFEOEZHJ-UHFFFAOYSA-N 265.269 0.784 0 50 CCAA CN(CC(=O)NCC(=O)O)C(=O)OCc1ccccc1 2164057 HZTCJXSEHNRBTH-UHFFFAOYSA-N 280.280 0.456 0 50 CCAA C[C@H]1CN(C(=O)c2ccc3ccn(C)c3n2)C[C@@H](CO)O1 2356153211 WZIVACICQGVDOP-JQWIXIFHSA-N 289.335 0.795 0 50 CCAA C[S@@](=O)CC[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O 4087938 QYXFLPXRIFFGJI-SBKAZYGRSA-N 295.316 0.504 0 50 CCAA O=C(c1nc2[nH]c3c(c(=O)n2n1)CCC3)N1CCCCC1 100906493 ZLGDNKKDBOAQND-UHFFFAOYSA-N 287.323 0.532 0 50 CCAA CC1(C)C[C@]2(CCO1)NCCN1C(=O)CS[C@@H]12 55152986 CEZNQEDIPGJTON-PWSUYJOCSA-N 256.371 0.819 0 50 CCAA biogenic Cn1nnnc1SCCNC(=O)[C@@]1(C)CCCCO1 67895671 YZKXHWXHFPJYBH-LLVKDONJSA-N 285.373 0.378 0 50 CCAA CCn1nc(C)c(C(=O)N2CCN(C)[C@@H](C(=O)O)C2)c1C 67654133 OAQGJILKHPRBSC-LLVKDONJSA-N 294.355 0.361 0 50 CCAA CN1CCCC[C@@H]1CCC(=O)NCCS(C)(=O)=O 65454476 FNRYQLMMQIIWIE-LLVKDONJSA-N 276.402 0.412 0 50 CCAA CN1CCC[C@H](CNC(=O)NC[C@H]2CCCO2)C1 247114842 KXXIMSJKARLUEM-VXGBXAGGSA-N 255.362 0.806 0 50 CCAA CN1CCN(Cc2n[nH]c(=O)n2CC2CCCCC2)CC1 65466937 LLQFESYGIYROSM-UHFFFAOYSA-N 293.415 0.899 0 50 CCAA CSCC(=O)N1CCC[C@H](c2nnc(CO)n2C)C1 216542181 CTYPJCUZHMWQFI-VIFPVBQESA-N 284.385 0.376 0 50 CCAA Cc1nc(CCN)cc(N2CCCC[C@H]2CC(N)=O)n1 67674762 IVWZVRSIGJZIQG-LBPRGKRZSA-N 277.372 0.521 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)Cn1cc(Cl)c(C)n1 71497860 XOGIIGQJXXEIOR-QWRGUYRKSA-N 287.747 0.765 0 50 CCAA CNC(=O)CN1CCN(Cc2cnc(C(C)C)nc2)CC1 216110954 AFJQOZCROQYONN-UHFFFAOYSA-N 291.399 0.464 0 50 CCAA NC(=O)c1ccc(C(=O)N2CCOCC(F)(F)C2)cn1 356547637 XBXIXUZDJQULII-UHFFFAOYSA-N 285.250 0.288 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H](C)C(=O)O 331122122 MPWGJFZWQPTNET-VXNVDRBHSA-N 274.342 0.087 0 50 CCAA COCCNC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 219915477 SZCDBMIAKLSOKN-VXGBXAGGSA-N 295.339 0.564 0 50 CCAA Cc1nc(N2CCCC2)nc(N2CCOC[C@H](O)C2)c1C 77303919 BHCKZQFDIPHXCQ-CYBMUJFWSA-N 292.383 0.891 0 50 CCAA CC[C@@H]1CN(c2ncnc3c2c(C)nn3C)CCN1 72406836 PZVKDIAXNYSKAE-SNVBAGLBSA-N 260.345 0.860 0 50 CCAA CC1(C)NCC[C@H]1NC(=O)[C@H]1CC12CCNCC2 335347292 YEIQCQZGTWGOKD-GHMZBOCLSA-N 251.374 0.633 0 50 CCAA CN1CCC(CNC(=O)c2ccc[nH]2)(N(C)C)CC1 220687620 GZCBNWSNTUGABA-UHFFFAOYSA-N 264.373 0.771 0 50 CCAA Cc1nc(CCN(C)C(=O)c2cc(N)ccn2)no1 221393375 JDZVGKIWQVRKNP-UHFFFAOYSA-N 261.285 0.670 0 50 CCAA CSc1ncc(C(=O)N(C)[C@H]2COC[C@@H]2O)cn1 223711507 CUQBJWMTGAJLCS-IUCAKERBSA-N 269.326 0.030 0 50 CCAA CCCN(CC(=O)O)C(=O)c1cnn2ncccc12 263226976 AOZYCDOZOQYWBN-UHFFFAOYSA-N 262.269 0.666 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)O)C1=O 40447967 GLPLDJICXMMSBB-MRVPVSSYSA-N 272.301 0.587 0 50 CCAA COCCCn1cnnc1CNC(=O)[C@H]1CC1(C)C 426387183 ZIOASWYLZNMIIY-SNVBAGLBSA-N 266.345 0.977 0 50 CCAA CN(CC(=O)NC1(C(=O)O)CC1)Cc1ccccc1F 426595031 PPOBDGMBYNIVHD-UHFFFAOYSA-N 280.299 0.991 0 50 CCAA O=C(c1ccno1)N1CCN(C2CCCC2)C(=O)C1 221371148 DXMLOKIHCFVHOI-UHFFFAOYSA-N 263.297 0.902 0 50 CCAA COCCN1CCC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)C1 426359056 MTYZFWULYPHTDD-WUHRBBMRSA-N 296.367 0.134 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)c1cc(CO)ccn1 222635422 SQCBJRCQFQUAQP-ZYHUDNBSSA-N 266.297 0.108 0 50 CCAA CCN1CCCN(C(=O)C(=O)c2cccn2C)CC1 336093385 CBFUFYWKCJVMNN-UHFFFAOYSA-N 263.341 0.762 0 50 CCAA Cc1nccnc1C(=O)N[C@]1(CCO)CCOC1 614079251 VJVSWKDTAUVFHV-GFCCVEGCSA-N 251.286 0.056 0 50 CCAA Nc1n[nH]c(CCNC(=O)c2nccc3ccccc23)n1 426511504 AZLXCMVFUVDWCR-UHFFFAOYSA-N 282.307 0.908 0 50 CCAA COC(=O)C1(C(=O)OC)CCC2(CC1)OCCO2 144013954 QDSJYZFYYGBJDV-UHFFFAOYSA-N 258.270 0.636 0 50 CCAA CC(C)(C)N1C[C@@H](C(=O)NCCCn2ccnn2)CC1=O 91973910 NOTYSBSTZJJAHW-NSHDSACASA-N 293.371 0.431 0 50 CCAA NC(=O)N1CCC[C@H](C(=O)NCCn2cccc2)C1 91526538 DWWYJQYYUQDJIB-NSHDSACASA-N 264.329 0.395 0 50 CCAA Cc1ccc(CCNC(=O)CC[C@H]2NC(=O)NC2=O)o1 91434487 MOPYJSIWOHOFNG-SNVBAGLBSA-N 279.296 0.235 0 50 CCAA COCc1noc(C[C@H]2CN(c3ccncn3)CCO2)n1 91391059 KJAKDDCVHURQFS-JTQLQIEISA-N 291.311 0.454 0 50 CCAA O=c1[nH]c(-c2cccc(CN3CCOCC3)c2)no1 182001304 QOGUPTCFOJIYPY-UHFFFAOYSA-N 261.281 0.862 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccnc2ccnn12 626898397 QEVUXYCOBCKVDO-DTWKUNHWSA-N 273.296 0.126 0 50 CCAA CNC(=O)c1cccc(CCNC(=O)[C@H]2C[C@@H]2C(=O)O)c1 299749695 LIYQLCRPPWFLSU-RYUDHWBXSA-N 290.319 0.426 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C(=O)[C@@H]1C[C@@H]1C(=O)O)C1CC1 299748210 GLHBBQUMLNEPDU-QNSHHTMESA-N 289.353 0.131 0 50 CCAA CO[C@H]1COC[C@@H]1N=c1nc(N)[nH]c(C)c1Cl 534654395 AIWUQEDIHGARET-BQBZGAKWSA-N 258.709 0.268 0 50 CCAA CC(C)[C@H](NS(=O)(=O)c1cn(C)cn1)c1ncnn1C 534672418 FTCNBRVJPGFNDT-JTQLQIEISA-N 298.372 0.224 0 50 CCAA COc1nc(NC[C@@H]2CCNC[C@H]2O)ncc1F 534637822 LGIORRMLKNRQIJ-IONNQARKSA-N 256.281 0.007 0 50 CCAA CCOc1ncccc1C(=O)N1CCN2C(=O)OC[C@H]2C1 371207657 FCFYSHYRWCOBNT-SNVBAGLBSA-N 291.307 0.757 0 50 CCAA O=C(O)c1nn(-c2c[n+]([O-])ccn2)c2c1C[C@@H]1C[C@H]21 205604217 JWVCWCNOPFCNFX-BQBZGAKWSA-N 258.237 0.259 0 50 CCAA Cc1nccn1[C@H](C)CC(=O)NCCn1cncn1 299769880 NYVBYSBOQSAMPA-SNVBAGLBSA-N 262.317 0.551 0 50 CCAA CC[C@H](C(=O)NCC1CCN(C)CC1)N1CCOCC1 822554857 YDWGVGPNCFEKLW-CQSZACIVSA-N 283.416 0.555 0 50 CCAA O=C(Cc1ccccn1)NCCN1CCC[C@H](CO)C1 584896754 PLHHPHKDPLHAIE-ZDUSSCGKSA-N 277.368 0.445 0 50 CCAA CN1CCCC[C@@H]1CCC(=O)N1CCCNC(=O)C1 584902788 SZUFDHKXTDKPAJ-GFCCVEGCSA-N 267.373 0.599 0 50 CCAA CC(C)N1CCN(c2cncc(C(N)=O)n2)C[C@@H]1C 670452518 WLYQOECHOFGYKO-JTQLQIEISA-N 263.345 0.494 0 50 CCAA Cc1cc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)no1 239121256 JOKSNBLJCNUNLB-GTDKDYCYSA-N 264.237 0.576 0 50 CCAA Cc1cnc(CNCCN2CCCC[C@H]2CO)[nH]1 952968965 OORXBWLVXGXFOH-LBPRGKRZSA-N 252.362 0.655 0 50 CCAA COC(=O)C1=C(O)c2sccc2S(=O)(=O)N1C 100010796 OKNMAOBDSCJUDO-UHFFFAOYSA-N 275.307 0.782 0 50 CCAA in-vitro C[C@H](N[C@@H]1CCC[C@H]1C)C(=O)N1CCC(C(N)=O)CC1 407967151 PAFPWXBQIFALOX-NTZNESFSSA-N 281.400 0.877 0 50 CCAA O=C(CN1CCCCC1=O)NS(=O)(=O)CC1CCC1 408134991 WRBAGUOMOSLZAB-UHFFFAOYSA-N 288.369 0.245 0 50 CCAA C[C@@H]1C[C@@H](S(=O)(=O)N2CCO[C@H](C)C2)CCO1 408190993 BZILMHGUALMEHE-MXWKQRLJSA-N 263.359 0.604 0 50 CCAA Cc1nccc(N2CCN(C(=O)CN3CCCC3)CC2)n1 408239722 BJXURGXKMINPAV-UHFFFAOYSA-N 289.383 0.529 0 50 CCAA CCc1nc(=NC[C@@H](CO)Cc2cnn(C)c2)s[nH]1 585092321 PBNWXPIPMAJLBY-JTQLQIEISA-N 281.385 0.519 0 50 CCAA CC[C@@H]1C(=O)NCCN1Cc1cccc(C(=O)OC)n1 579432904 XONVXRXTBKIJAV-GFCCVEGCSA-N 277.324 0.579 0 50 CCAA Cc1ccc(CS(=O)(=O)N[C@@H](C)C(N)=O)c(F)c1 192019021 GLPXOHNRORQKKJ-QMMMGPOBSA-N 274.317 0.427 0 50 CCAA CC[C@@H](NC(=O)c1cn(CCN)nn1)c1c(C)noc1C 574174021 URCKQCCJRWYJJR-SNVBAGLBSA-N 292.343 0.723 0 50 CCAA CCNc1ncc(C(=O)N[C@@H]2CCCCNC2=O)cn1 95379992 AENYCLZNYWAWFF-SNVBAGLBSA-N 277.328 0.307 0 50 CCAA Cc1ccc(CNC(=O)CN2CC(C)(C(N)=O)C2)s1 1615045894 DSGZVIYZYYMNKZ-UHFFFAOYSA-N 281.381 0.480 0 50 CCAA CCOC(=O)CNS(=O)(=O)c1ccc(F)cc1 4832116 WEYANFYCSCQGJJ-UHFFFAOYSA-N 261.274 0.667 0 50 CCAA N[C@@H]1CN(C(=O)NC2CCOCC2)CC12CCC2 1553430300 BIEFZMNEQCHOFK-LLVKDONJSA-N 253.346 0.688 0 50 CCAA CNC(=O)C[C@H]1CCN(c2nccnc2N(C)C)C1 1704342357 NRUZKNGJALLKHK-SNVBAGLBSA-N 263.345 0.505 0 50 CCAA CCOC[C@@H]1CCCN(C(=O)[C@@H]2COCCN2)C1 236969910 ZJTVAZOFGXWSHG-NEPJUHHUSA-N 256.346 0.250 0 50 CCAA CC[C@@]12COC(=O)N1CCN(c1nccc(OC)n1)C2 1857689914 OMJDPLQKXVDQGN-CYBMUJFWSA-N 278.312 0.906 0 50 CCAA CN(CCC(N)=O)c1ncc(C(=O)O)cc1Cl 381958372 BJNPPSRWVONSLF-UHFFFAOYSA-N 257.677 0.745 0 50 CCAA CC(=O)c1cnc(NC[C@H](O)CN(C)C)nc1C 1772703864 QQLLDJDEKQLWIL-JTQLQIEISA-N 252.318 0.322 0 50 CCAA O=C(O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 5353014 CKIFQQRHDQVJKI-NSHDSACASA-N 274.276 0.850 0 50 CCAA CC(C)(C)OC(=O)N1CCN(CC(=N)NO)CC1 17112839 AZGHKGYRVVEWOB-UHFFFAOYSA-N 258.322 0.495 0 50 CCAA COc1cccc(NC(=O)CN2CCOCC2)c1 19913547 JTUXMPVNCNABTI-UHFFFAOYSA-N 250.298 0.966 0 50 CCAA in-vivo CCOC(=O)C(C(=O)OCC)[C@@H](C)C(=O)OCC 4582839 JYMRIBGHCMHLSA-MRVPVSSYSA-N 260.286 0.928 0 50 CCAA CCOC[C@@H](C)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 332407735 MLTGUNYAMASYBU-JTNHKYCSSA-N 280.372 0.707 0 50 CCAA CNC(=O)C1(C(=O)Nc2cccc(CC(=O)O)c2)CC1 263157044 NTINDRKBUQFIML-UHFFFAOYSA-N 276.292 0.778 0 50 CCAA Cc1occc1C(=O)N1CC[C@H](C(=O)O)[C@H](O)C1 1704297307 LYCQNVAKWBLBOU-VHSXEESVSA-N 253.254 0.496 0 50 CCAA CC(C)(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)O 859780189 XXLDIJOKPUKIEH-GFCCVEGCSA-N 298.383 0.811 0 50 CCAA CCc1nsc(N2CCO[C@@H](CN3CCOCC3)C2)n1 952992971 LRERHZDSOJFJQG-NSHDSACASA-N 298.412 0.638 0 50 CCAA CCNS(=O)(=O)c1cc(OC)ncc1NCCOC 1875299113 ZUHRYMJQDUWQJJ-UHFFFAOYSA-N 289.357 0.447 0 50 CCAA NCCN=c1[nH]c(-c2ccc(O)c(C(N)=O)c2)cs1 1875309987 XQBWWTGCUMECLD-UHFFFAOYSA-N 278.337 0.407 0 50 CCAA Cc1ccnc(NC[C@@]2(CO)COC[C@@H]3CCCN32)n1 1775292166 ZRTKGIBACCHMIU-GXTWGEPZSA-N 278.356 0.423 0 50 CCAA Cc1nnc(CN2CCN(C(=O)C3CCC3)CC2)o1 49704544 CEBHXCKBCLOMFH-UHFFFAOYSA-N 264.329 0.822 0 50 CCAA Cc1ncn(CCNC(=O)CCCC(=O)O)c1C 534635618 JFGFFBYXJFSTGM-UHFFFAOYSA-N 253.302 0.871 0 50 CCAA Cn1nnnc1CN1Cc2ccccc2[C@@H](C(=O)O)C1 652471009 QDILAYUUHGPXHB-NSHDSACASA-N 273.296 0.394 0 50 CCAA O=C(O)C(=O)N1CCC[C@H](N2CCCCC2=O)C1 368136942 ZCJRPWBTPNFKLB-VIFPVBQESA-N 254.286 0.075 0 50 CCAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CN2CCCC2=O)C1 379219848 PMWNTFWDPFOURZ-BDAKNGLRSA-N 293.289 0.489 0 50 CCAA O=C(O)C1CCN(C(=O)C2(n3ccnn3)CC2)CC1 2325769406 OOHPNYCPFIEGOB-UHFFFAOYSA-N 264.285 0.090 0 50 CCAA Oc1ccc(N2CCN(c3ncnc4[nH]cnc34)CC2)cn1 2325802661 RZHCYSLPPHLADR-UHFFFAOYSA-N 297.322 0.780 0 50 CCAA Cc1cc(C)n([C@@H](C)CNC[C@H](O)Cn2cccn2)n1 2325812542 TWTVCFPPTZAZQI-KBPBESRZSA-N 277.372 0.908 0 50 CCAA Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1 52624 NGGPQVDOOZWSIG-UHFFFAOYSA-N 256.265 0.472 0 50 CCAA CC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C 196735 IXMSLFADQIHSAT-UHFFFAOYSA-N 296.352 0.685 0 50 CCAA Cc1cccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 319690 ZMFDPLGDZFJHTL-UHFFFAOYSA-N 275.264 0.389 0 50 CCAA Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)no1 1053495 IODRLHFDXMWVKT-GFCCVEGCSA-N 293.323 0.446 0 50 CCAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 1423267 AIQSXWLOKKCHFH-SNVBAGLBSA-N 283.305 0.759 0 50 CCAA O=C1OC[C@H]2CN(C(=O)c3onc4ncccc34)C[C@@H]12 2356149037 GPGIGJSAJLUCDR-VXNVDRBHSA-N 273.248 0.468 0 50 CCAA COc1ccccc1OC[C@@H](O)CS(=O)(=O)O 4831674 PPFCZNBQPMQVJH-MRVPVSSYSA-N 262.283 0.323 0 50 CCAA CCNC(=O)c1cc(S(=O)(=O)NC)ccc1OC 6743926 PGBZWCHDYPOUAF-UHFFFAOYSA-N 272.326 0.353 0 50 CCAA NC1=NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)O)cc2)S1 9319798 WMNGKZGRTLSGRP-QMMMGPOBSA-N 293.304 0.670 0 50 CCAA NCC1CCN(CCN2CCC(CN)CC2)CC1 23292235 JZOBWGSZKPWRPJ-UHFFFAOYSA-N 254.422 0.328 0 50 CCAA CN(CC(=O)O)C[C@H]1CC(=O)N(C2CCCC2)C1 67880662 XJBWHCBQTXDJJD-SNVBAGLBSA-N 254.330 0.794 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)C2(OC)CCC2)N(C)C1 346698768 BCOKLUKZLNMARV-RYUDHWBXSA-N 270.373 0.733 0 50 CCAA Cc1n[nH]c(C)c1CN1CCC[C@](O)(CO)CC1 216218107 ICNONFFPPZAQHA-CYBMUJFWSA-N 253.346 0.736 0 50 CCAA CCn1nccc1CN1CCC[C@H]1c1nc(C(N)=O)no1 328631577 KROYFNWBYPMKAP-JTQLQIEISA-N 290.327 0.722 0 50 CCAA CN1CCO[C@H](CN(CC(=N)O)C(=O)[C@@H]2C[C@H]2C2CC2)C1 328626268 DZANNEDMUJNOBW-RWMBFGLXSA-N 295.383 0.727 0 50 CCAA C[C@H]1CCCN1CC(=O)Nc1ccn([C@H]2CCNC2)n1 328645296 ZNZCWHORRMNVQG-RYUDHWBXSA-N 277.372 0.840 0 50 CCAA CCCn1ccnc1CN1CCC[C@@](O)(CO)C1 72411355 PHOSHDSVLWEVJV-ZDUSSCGKSA-N 253.346 0.612 0 50 CCAA Cc1nc(N(C)C)[nH]c(=N[C@@H]2CC(=O)N3CCCC[C@H]23)n1 328805057 NBPWYEVMTMPCOC-GHMZBOCLSA-N 290.371 0.233 0 50 CCAA Cn1cc(NC(=O)c2ccc(-n3cnnc3)cc2)nn1 361159462 MARZEZYEVRDYLK-UHFFFAOYSA-N 269.268 0.648 0 50 CCAA COCCO[C@@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 374964834 KGGGDSYJWFHMMY-LLVKDONJSA-N 297.355 0.249 0 50 CCAA COC(=O)[C@H](O)C1CCN(C(=O)c2ccncc2)CC1 331258203 YZRHCUDCCQGCHP-GFCCVEGCSA-N 278.308 0.468 0 50 CCAA O=C(C(=O)N1CCCC12CCC2)N1CC[C@@H]2NCC[C@@H]2C1 335196777 NYCDPPFSCQXEPM-OLZOCXBDSA-N 291.395 0.742 0 50 CCAA Cc1cc(N2CCC[C@@H](NCc3cn(C)nn3)C2)n(C)n1 333095028 DKHNJKVWTTWXRI-GFCCVEGCSA-N 289.387 0.616 0 50 CCAA CN(Cc1cnc(N2CCCC2)s1)C[C@H](O)CO 216305333 CPPQTGDHEJLAQY-JTQLQIEISA-N 271.386 0.528 0 50 CCAA C[C@H](NC(=O)[C@@H]1COCCN1)c1nc2ccccc2n1C 237463885 KHDKHLCFIDYLFV-JQWIXIFHSA-N 288.351 0.739 0 50 CCAA Cc1nc(O)nc(O)c1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 333963390 NWMCDVFOZUOSDL-PRJMDXOYSA-N 265.269 0.702 0 50 CCAA CN(C)S(=O)(=O)NC1CCN(Cc2ccncc2)CC1 48672149 QCARUFHUCYYRLX-UHFFFAOYSA-N 298.412 0.442 0 50 CCAA COC[C@H]1CCN(C(=O)COc2cccnc2)C1 223584090 CZOJUOWGAQAPGN-NSHDSACASA-N 250.298 0.955 0 50 CCAA CCOC(=O)[C@@]1(C)[C@@H](N(C)C)C(C)(C)S1(=O)=O 45028143 HRHZNGNCDIBWTD-GZMMTYOYSA-N 263.359 0.445 0 50 CCAA CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCc1noc(C)n1 223622491 POTXBPXQMMOHBS-LBPRGKRZSA-N 296.371 0.930 0 50 CCAA CC(=O)N1CCC[C@](O)(C(=O)N2CCC(C)=C(C)C2)C1 285317390 RATXYZVODMBGJS-OAHLLOKOSA-N 280.368 0.929 0 50 CCAA O=C(NCCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 97413398 MCPOHONSOIOCQS-ZDUSSCGKSA-N 297.376 0.754 0 50 CCAA CCOC(=O)c1csc(NC(=O)CCn2cnnn2)n1 524733951 HXRHPROIDPZAQD-UHFFFAOYSA-N 296.312 0.335 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3C4C5[C@@]6(CC(C)(C)C[C@]516)[C@@H]2[C@@H]43 248336520 ORUGTCDEHZTCHZ-XYIQGILLSA-N 285.347 0.756 0 50 CCAA CCc1ccnc(C(=O)NC[C@H](O)CN2CCOCC2)c1 180769312 PDGBLBNMLJWUHA-ZDUSSCGKSA-N 293.367 0.067 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@@H](c2nccn2C)C2CC2)n1 252505712 VTDJVDIJDJMSCD-CYBMUJFWSA-N 288.355 0.775 0 50 CCAA CN(C)C(=O)CNC(=O)N(C)CC[C@H](O)c1ccccc1 534584094 HNNQFNVXSFRQES-ZDUSSCGKSA-N 293.367 0.840 0 50 CCAA CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1C=CCN1 534657591 XZHFRQGWZPUESK-NSHDSACASA-N 258.281 0.709 0 50 CCAA CCOC[C@H](O)CNC(=O)CCCN1CCCCC1=O 823315645 UUCYQQPNSDQWNG-GFCCVEGCSA-N 286.372 0.293 0 50 CCAA Cc1nccn1C[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 584890929 COJCCBOCINUQNA-GFCCVEGCSA-N 299.396 0.475 0 50 CCAA O=C(O)[C@@H]1CCCCN1C(=O)Cn1nnc2c1CCCC2 585134854 LYQHZSOIGNNYSM-LBPRGKRZSA-N 292.339 0.623 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)CCCn1cccn1 584895731 FRWDROWRWUSRPG-STQMWFEESA-N 280.372 0.499 0 50 CCAA COCCN1CCC[C@H](CNC(=O)CSC)C1 670439275 FSNIRTNYKKMPCY-LLVKDONJSA-N 260.403 0.824 0 50 CCAA Cc1nc2c([nH]1)CN(C(=O)[C@H](C)Cn1cncn1)CC2 670451683 LKLVVXQUHIVHIB-SECBINFHSA-N 274.328 0.531 0 50 CCAA Cn1cc(Cl)cc1C(=O)NCCc1noc(CO)n1 670451707 WWJSJNPFTNLORP-UHFFFAOYSA-N 284.703 0.526 0 50 CCAA C=CC(=O)NCCC(=O)N[C@H](C)c1nnc(C)s1 1337856015 FMOUDZIYKPMCRG-SSDOTTSWSA-N 268.342 0.716 0 50 CCAA CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 51971683 JHBUFXKTKCCCKA-BDAKNGLRSA-N 259.302 0.777 0 50 CCAA in-vitro Cc1ccccc1OCCC(=O)NC[C@H]1CCNC[C@@H]1O 1565508093 RGGYYIIIJMVXRF-KGLIPLIRSA-N 292.379 0.851 0 50 CCAA C[C@H](N[C@H]1CCC[C@@H]1C)C(=O)N1CCC(C(N)=O)CC1 407967148 PAFPWXBQIFALOX-GVXVVHGQSA-N 281.400 0.877 0 50 CCAA CN1CCO[C@@H]2CN(C(=O)C(F)(F)C3(O)CCC3)C[C@@H]21 305753283 UMRACQZQURZLCF-VHSXEESVSA-N 290.310 0.078 0 50 CCAA CC(C)CS(=O)(=O)NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 408502384 QUNWRETYDKTSCF-IVZWLZJFSA-N 273.354 0.704 0 50 CCAA Cn1cc(C(=O)NCc2nnc[nH]2)c(C(C)(C)C)n1 271148349 JPDQFVNVEAGOGK-UHFFFAOYSA-N 262.317 0.766 0 50 CCAA CC(C)CN(CC(N)=O)C(=O)[C@H]1CCCO[C@@H]1C 188068292 LBQQMYHWSLJAET-MNOVXSKESA-N 256.346 0.771 0 50 CCAA C[C@@H]1CNC[C@H](C(=O)N2CCC[C@H]2c2ccc(O)nn2)O1 638681119 CSXXWUNJWFCGMV-ADEWGFFLSA-N 292.339 0.223 0 50 CCAA C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)C1(CO)CC1 585113591 JIMLFOTYLCKEAV-JTQLQIEISA-N 294.326 0.833 0 50 CCAA NC(=O)c1cn(Cc2cnn(-c3ccccc3)n2)nn1 772933400 QBZGPFGTQLIANI-UHFFFAOYSA-N 269.268 0.006 0 50 CCAA O=C(NCCOC[C@@H]1CCOC1)[C@]1(O)C[C@H]2CC[C@H]1C2 1615585594 DLDUGIZMPLDPMM-XFMPKHEZSA-N 283.368 0.707 0 50 CCAA COc1ccc(CN2CCO[C@@H](CCN)C2)cc1O 215296868 VIUXJIGZOXPWSV-LBPRGKRZSA-N 266.341 0.950 0 50 CCAA COc1cc(OC)c(OC)cc1/C=C1/NC(=O)NC1=O 316885 JPSKANRFSFCFMV-XBXARRHUSA-N 278.264 0.893 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cncn3C)C[C@H]2O)on1 1529197713 UTYJCBYTCCGYMJ-ZWNOBZJWSA-N 290.323 0.392 0 50 CCAA CNC(=O)c1nn(C)cc1NC(=O)c1oc(C)nc1C 1875248526 VYOUUJNKTAPYER-UHFFFAOYSA-N 277.284 0.637 0 50 CCAA CCn1cc(CN2CCCN(S(C)(=O)=O)CC2)cn1 112707488 CFFKSWSMGOMSLF-UHFFFAOYSA-N 286.401 0.370 0 50 CCAA O=C(c1cccc(O)n1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1704299395 JYGJRIHEZSBDFL-OCCSQVGLSA-N 299.330 0.858 0 50 CCAA COCCN1CCCN(C(=O)[C@H]2OCC[C@H]2C)CC1=O 375502998 YHJZLGFKQBQLQB-YPMHNXCESA-N 284.356 0.119 0 50 CCAA CCC[C@@]1(CO)CN(Cc2n[nH]c(CC)n2)CC[C@@H]1O 1857719963 XRUWZSCYYYLPBT-FZMZJTMJSA-N 282.388 0.713 0 50 CCAA Cc1c[nH]ccc1=NCCn1cnc2cc[nH]c2c1=O 1857730847 ZSHCTPAOQYLXRN-UHFFFAOYSA-N 269.308 0.962 0 50 CCAA CO[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1c1cnn[nH]1 622169442 MIADTKITULIAGK-CMPLNLGQSA-N 290.327 0.032 0 50 CCAA C[C@@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@@H]1CN 237450692 ZQIRPZMXDNGBTJ-ZYHUDNBSSA-N 273.340 0.929 0 50 CCAA O=C(O)c1ccc(CCC(=O)N2CCS(=O)CC2)cc1 262347697 ASYFPJDYYSRBEX-UHFFFAOYSA-N 295.360 0.908 0 50 CCAA CNCCN(C)c1ccc2nnc(C(F)(F)F)n2n1 234375808 VHHPUDBHWWYIHC-UHFFFAOYSA-N 274.250 0.799 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N1C[C@@H]2OCC[C@@H]21 1875271516 APRFADRADPMWPG-YUMQZZPRSA-N 266.326 0.842 0 50 CCAA C[C@@H]1COC[C@@](CO)(CNc2cccc3nncn23)N1C 1875398442 QISTVAFGAIDGCG-RISCZKNCSA-N 291.355 0.223 0 50 CCAA Cc1nc(O)cc(CN2CCNCC(C)(C)C2)n1 1875310909 GURJTJOIXKUZOP-UHFFFAOYSA-N 250.346 0.922 0 50 CCAA Cc1[nH]nc(C(=O)NCCn2ccccc2=O)c1Cl 1875300369 AUQYVQCWBXXSQB-UHFFFAOYSA-N 280.715 0.963 0 50 CCAA O=C(NOC1CCC1)[C@H]1CO[C@H](Cn2cccn2)C1 1875301091 DJBBWIOFBXYBDK-PWSUYJOCSA-N 265.313 0.889 0 50 CCAA O=C(c1ccoc1)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 886096811 KFNVSYPFKQDMTG-AWEZNQCLSA-N 294.307 0.281 0 50 CCAA Cc1cc[nH]c1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 888079227 MVDZYQNRUQQQJX-HOSYDEDBSA-N 260.297 0.624 0 50 CCAA CC(=O)N(C)CCCC(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 888094934 LEYLVJTWRQLBHU-CHWSQXEVSA-N 298.383 0.291 0 50 CCAA O=C(N[C@]12CCC[C@@H]1NCC2)C1=C2CCN=C2NC=C1 1775599690 CALHWWHNMNBTOR-WFASDCNBSA-N 272.352 0.603 0 50 CCAA O=C(NCCc1ccccc1Cl)[C@H]1C[C@@H](O)CN1 276689002 VAEKOGWOLVSKKI-ZYHUDNBSSA-N 268.744 0.722 0 50 CCAA NC(=O)[C@]1(O)CCCN(C(=O)CC2=CCCCC2)C1 285623495 SKEJKKMKJJVBHB-AWEZNQCLSA-N 266.341 0.716 0 50 CCAA COCC[C@@H]1CN(CC(=O)N2CCCC2)CCO1 670453882 QXBGUAJZYHUGPU-GFCCVEGCSA-N 256.346 0.346 0 50 CCAA NS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)cc1 1074637263 XBEJQWSBFMKAMN-QJPTWQEYSA-N 296.348 0.241 0 50 CCAA COc1cc(C)c(S(=O)(=O)NC[C@H](C)O)cc1C 32120660 QXSARHGUPXVOJB-JTQLQIEISA-N 273.354 0.971 0 50 CCAA CC(C)N(CCc1nn[nH]n1)C(=O)[C@@H]1CO[C@@H](C)C1 2325808783 WPGYXMURGXMQJQ-UWVGGRQHSA-N 267.333 0.404 0 50 CCAA Cn1cc(NC(=O)c2ccc(F)c(O)c2F)c(O)nc1=O 2325865606 IVFJETDKBRASEG-UHFFFAOYSA-N 297.217 0.722 0 50 CCAA O=C(NCNC(=S)N1CCOCC1)c1ccccc1 390251 KPPXFGAALOMBBK-UHFFFAOYSA-N 279.365 0.581 0 50 CCAA Cn1c(=O)n(C)c2cc(CNC(C)(C)CO)ccc21 4993742 YFIMGQPYSDQEEZ-UHFFFAOYSA-N 263.341 0.738 0 50 CCAA C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)OC(C)(C)C 8535371 NZZLOAJFJXIMGK-QMMMGPOBSA-N 272.301 0.539 0 50 CCAA COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1 101356447 FJXUOWFMTARRJB-NDBYEHHHSA-N 299.282 0.916 0 50 CCAA CN(CN1C(=O)CSC1=O)CN1C(=O)CSC1=O 23279538 QFMOCHLGJCZQRJ-UHFFFAOYSA-N 289.338 0.224 0 50 CCAA CCn1c(C)nnc1SCCN1C[C@H](C(=O)O)CC1=O 65407570 HYGPSOGYJPCRHV-SECBINFHSA-N 298.368 0.632 0 50 CCAA Cc1cnc(CN2CCC[C@H](Cn3cc(CO)nn3)C2)[nH]1 20209223 REAKOCXNSVUGLS-LBPRGKRZSA-N 290.371 0.714 0 50 CCAA CC(C)=CC(=O)N1C[C@H](N)C[C@H]1C(=O)NC(C)C 67514867 DVMYPNCXQVFFAG-MNOVXSKESA-N 253.346 0.405 0 50 CCAA C[C@]1(C(=O)NC2CCS(=O)(=O)CC2)CCCNC1 62854382 FYSNIKOVZGIFAO-LBPRGKRZSA-N 274.386 0.070 0 50 CCAA O=C(C[C@@H]1CCNC1)NCCNC(=O)c1ccc(F)cc1 128486993 HIRLPGYKQOXVDW-NSHDSACASA-N 293.342 0.671 0 50 CCAA COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cnc(C)nc1 351755330 IFYGJNJXEBVXEW-CHWSQXEVSA-N 279.340 0.937 0 50 CCAA CN(C[C@H]1CC12CCN(C(=O)C(=O)O)CC2)C1CC1 363787645 JVCQTZLDQYGUBD-SNVBAGLBSA-N 266.341 0.794 0 50 CCAA C[C@](O)(CNC(=O)[C@@H]1C[C@]12CCc1ccccc12)C(=O)O 262485012 ILIBMYSJQGPOLZ-RCBQFDQVSA-N 289.331 0.842 0 50 CCAA Cc1ccc(F)cc1C(=O)C(=O)N1CCS(=O)CC1 336507281 PNSBQYWXYNTNBV-UHFFFAOYSA-N 283.324 0.908 0 50 CCAA CCNS(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 71771346 ZMDJAMLJGPYTHP-UHFFFAOYSA-N 298.773 0.286 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)NCCn1ccnc1C 221372915 HVYGXVLRTTXUEL-LBPRGKRZSA-N 298.412 0.566 0 50 CCAA COc1c(CN2CCC[C@H]3C(=O)N(C)C[C@H]32)c(C)nn1C 284535357 GOGPKTKQVJUNGA-DGCLKSJQSA-N 292.383 0.790 0 50 CCAA CN1C2(CCC2)COC[C@@]1(CO)CNCc1ccncc1 527751296 AULOUOICZOWXKX-INIZCTEOSA-N 291.395 0.787 0 50 CCAA O=C(N[C@@H](CO)CN1CCCCC1)c1ccnc(O)c1 288541790 OWWZVBANDITKCX-GFCCVEGCSA-N 279.340 0.364 0 50 CCAA Cc1c(C(=O)N2CCN3C(=O)OC[C@H]3C2)ccn1C 426635224 CPZWBCITDHLZPA-SNVBAGLBSA-N 263.297 0.610 0 50 CCAA OCCNc1ccc(-c2cccc3ccnn23)nn1 426649549 HXRHVENDIHGTPI-UHFFFAOYSA-N 255.281 1.196 0 50 CCAA CCN(CCOC)C(=O)c1cnc2ccccn2c1=O 338160006 UCEFNIFWLCJQIA-UHFFFAOYSA-N 275.308 0.803 0 50 CCAA O=C(O)[C@@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]2[C@H]3[C@@]1(Br)C41OCCO1 239563242 ZGOHSJGPNWPPHD-WTHDSZBPSA-N 299.120 0.699 0 50 CCAA CCn1cncc1CNC(=O)c1ccc(C)n(C)c1=O 426517692 YCNKEJJAOCULLN-UHFFFAOYSA-N 274.324 0.840 0 50 CCAA COc1nc2c(cc1C(=O)N1CC=C[C@H]1CO)CCC2 91656565 CCJWCQQZZMLIBP-NSHDSACASA-N 274.320 0.952 0 50 CCAA O=C(c1ncc[nH]1)N1CCC[C@H](c2nnc(O)o2)C1 614390663 WXIWPHAGRLIJQK-ZETCQYMHSA-N 263.257 0.518 0 50 CCAA Cn1c(=O)n(CC(=O)N2CCCCC2)c2cnccc21 95502859 CSBDXQORVFESSC-UHFFFAOYSA-N 274.324 0.748 0 50 CCAA CC[C@@H](O)CCNS(=O)(=O)c1cnn(C)c1C 291609184 ATTSDALQOCYMRW-SECBINFHSA-N 261.347 0.168 0 50 CCAA Cc1nsc(N2CCN(C(=O)C[C@@H]3CCCN3)CC2)n1 178820444 DBHYAGDNHHOIBO-NSHDSACASA-N 295.412 0.637 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@@H]2CCc3c[nH]nc3C2)n1 335898791 HIQNKAIXJRVQDA-GFCCVEGCSA-N 273.340 0.897 0 50 CCAA CC[C@H](NC(=O)Cn1ccnc1C)[C@H]1C[C@H](O)C1 244874719 XGCHJHSQFZEQMX-SRVKXCTJSA-N 251.330 0.857 0 50 CCAA O=S(=O)(N[C@@H]1CNC[C@H]1O)c1ccc(Cl)s1 534642907 QJWWIBYEEAQKDY-PHDIDXHHSA-N 282.774 0.013 0 50 CCAA C[C@@H](CCNc1cncc(C(N)=O)n1)N1CCN(C)CC1 534663307 OGWXBEOKUXSPOO-NSHDSACASA-N 292.387 0.013 0 50 CCAA CN1CCC(OCCCNC(=O)C2(C)COC2)CC1 534636981 BTMKHGOUVBHRFP-UHFFFAOYSA-N 270.373 0.640 0 50 CCAA CCOCC(=O)N[C@H](C(=O)NC)c1ccccc1 299791257 DJPURKCIFRTABO-LBPRGKRZSA-N 250.298 0.626 0 50 CCAA COCCN1CC[C@H](CNC(=O)c2ccc(O)cn2)C1 299777183 PGJNYUCOEYSKDZ-LLVKDONJSA-N 279.340 0.485 0 50 CCAA CC(C)[C@@H](CO)CNC(=O)N(C)Cc1ncc[nH]1 828650142 KBMNENOQGYELRX-SNVBAGLBSA-N 254.334 0.816 0 50 CCAA NC1(C(=O)N[C@H]2CCOC[C@@H]2OCC2CCC2)CC1 1565513895 HQLITEBKLFIDHK-RYUDHWBXSA-N 268.357 0.568 0 50 CCAA COC(=O)[C@@H](C)SCCN1C(=O)NC(C)(C)C1=O 169934578 GRXKGJLDPMRDRX-SSDOTTSWSA-N 274.342 0.612 0 50 CCAA COC(=O)[C@@H]1C[C@@H](O)CN1CCSCC(C)C 170599696 WURILYRJAJDHDS-MNOVXSKESA-N 261.387 0.984 0 50 CCAA CC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2O)CC1 170597892 FLDFEBJNVCRBSC-NWDGAFQWSA-N 268.357 0.665 0 50 CCAA CCOC(=O)[C@H]1[C@@H](N)CCN1C(=O)OC(C)(C)C 170689184 OPTQHFDIQOZOIL-DTWKUNHWSA-N 258.318 0.886 0 50 CCAA COC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@](C)(CN)C1 643545110 SMFUATUMTXYLDP-TYNCELHUSA-N 297.399 0.067 0 50 CCAA Cn1ccc(CN2C[C@@H](CN)C3(CCOCC3)C2)cc1=O 647985853 KSYWQBUUVINLSJ-CQSZACIVSA-N 291.395 0.573 0 50 CCAA O=C(Cn1ncn2nccc2c1=O)Nc1ccsc1 1318681609 LCOBDSDQUQQPAB-UHFFFAOYSA-N 275.293 0.591 0 50 CCAA Cn1c(=O)cc(C(=O)N2C[C@H](O)[C@@H](F)C2)c2ccccc21 1616110260 FOBWMIJIYBPGFJ-AAEUAGOBSA-N 290.294 0.693 0 50 CCAA N=c1[nH]nc(N2CCc3c(O)ncnc3C2)s1 1857680240 FHGJEYFIPFSYFV-UHFFFAOYSA-N 250.287 0.009 0 50 CCAA O=C([C@H]1CCS(=O)(=O)C1)N1CCC(C2(O)CC2)CC1 1772955793 JAMPCSJYKFXMGB-JTQLQIEISA-N 287.381 0.185 0 50 CCAA Cn1cc(CCC(=O)N2CCC[C@H]2C(=O)O)cn1 237767153 TWTLGQOHIBQKIW-JTQLQIEISA-N 251.286 0.428 0 50 CCAA CCOC(=O)c1cnc(S(C)(=O)=O)nc1NC 164871100 HXAYWQKSPOENJK-UHFFFAOYSA-N 259.287 0.099 0 50 CCAA C[C@@H](Oc1ccccc1)C(=O)NCCN1CCOCC1 19904095 DHRRNNCYOGYBAW-CYBMUJFWSA-N 278.352 0.902 0 50 CCAA O=C(NCc1ccccc1CO)[C@@H]1CSCN1 155215944 GPEVFHUADSIRJP-NSHDSACASA-N 252.339 0.458 0 50 CCAA CN1C(=O)[C@H]2COC[C@@H]1CN(c1ncnc3[nH]ccc13)C2 1875242759 ADNLCCWLWBDDCN-ZJUUUORDSA-N 287.323 0.251 0 50 CCAA O=C(CN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1)NCc1cccnc1 110648904 WGXKXWAZBLNTRR-KBUPBQIOSA-N 287.363 0.807 0 50 CCAA O=C([C@@H]1C[C@H]2CC[C@H]1NC2)N1CCC[C@H](n2ccnn2)C1 333555544 KDOOBEBJKYNANY-XJFOESAGSA-N 289.383 0.830 0 50 CCAA CCc1nc(C)cc(N2CC[C@@](O)(Cn3ccnn3)C2)n1 671467021 ULAOGIBATKNDEN-AWEZNQCLSA-N 288.355 0.580 0 50 CCAA C[C@@H]1CN(C(=O)Cn2cnccc2=O)CC(C)(C)O1 901506795 AWPULVLJJDZVFY-SNVBAGLBSA-N 265.313 0.269 0 50 CCAA CCn1c(O)nc2ccc(C(=O)OCC(N)=O)cc21 847630269 FPWKQOVWARHKOP-UHFFFAOYSA-N 263.253 0.404 0 50 CCAA O=C(N[C@@H]1C[C@]12CCc1ccccc12)C(=O)N1CC(F)C1 1875281650 NFZLBAJTSUIWJB-CJNGLKHVSA-N 288.322 0.939 0 50 CCAA C=CC(=O)N1CCC(C(=O)NC2CSC2)CC1 1875367135 NEHKFFRAMMXIKV-UHFFFAOYSA-N 254.355 0.643 0 50 CCAA CC(=O)N1CCC2(CC1)C[C@@H](O)c1nn(C)cc1O2 1875321523 LLLBHYDGGFYCHW-SNVBAGLBSA-N 265.313 0.617 0 50 CCAA Cc1nnccc1C(=O)N[C@H](C)c1nnc2n1CCC2 1772902180 GMSUPSUUSQPCDW-SECBINFHSA-N 272.312 0.814 0 50 CCAA CN1CCn2c(CNC(=O)c3ccsc3)nnc2C1=O 1773700769 KUHWWCBHEARILN-UHFFFAOYSA-N 291.336 0.355 0 50 CCAA COc1nc(C)cc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)n1 896971390 QZMVWYKVLCWVRW-BBBLOLIVSA-N 253.302 0.480 0 50 CCAA N[C@@H]1C[C@H](C(=O)NS(=O)(=O)C2CCCCC2)[C@H]2C[C@H]21 1775962436 KVBOCVQPARMVFN-WHOHXGKFSA-N 286.397 0.748 0 50 CCAA O=C(NC[C@@]1(O)CCNC1)c1ccc2ncccc2c1 72166111 NAWPQKGRNHVYHO-OAHLLOKOSA-N 271.320 0.689 0 50 CCAA C[C@@]1(C(=O)NCC2(CO)CCOCC2)CCCCO1 534584155 HJDLPGXPMXXGDN-ZDUSSCGKSA-N 271.357 0.851 0 50 CCAA Nc1nonc1C(=O)NCCNCc1ccc(F)cc1 3105242 UFCDNVDECLAPHQ-UHFFFAOYSA-N 279.275 0.311 0 50 CCAA Cc1nc(O)c(C)c(NC[C@@H](O)COCC2CC2)n1 2325802026 CDKWVUGNPCPVFN-LLVKDONJSA-N 267.329 0.998 0 50 CCAA COC(=O)c1ccccc1NC(=O)NN1CCOCC1 609690 WKHUDIMQVFMCOO-UHFFFAOYSA-N 279.296 0.842 0 50 CCAA Cc1nc(=NC(=O)c2ccc(S(C)(=O)=O)cc2)[nH]o1 2356135264 WPOYPOGBTLBQHV-UHFFFAOYSA-N 281.293 0.456 0 50 CCAA O=C1CCc2c1cccc2C(=O)N1C[C@H](O)C[C@@H](O)C1 2356148686 NEENJDKHDZMOKT-NXEZZACHSA-N 275.304 0.383 0 50 CCAA O=C1OC[C@H]2CN(C(=O)CCc3cc(Cl)no3)C[C@@H]12 2356154392 UHCYLHGAPPUOII-VXNVDRBHSA-N 284.699 0.892 0 50 CCAA Cc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 4333214 WFRDWJBWRHOLCF-LBPRGKRZSA-N 297.376 0.986 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1 6680554 UIMXKOAIZRICAA-UHFFFAOYSA-N 274.367 0.892 0 50 CCAA O=C([C@H]1CCCO1)N1CCS(=O)(=O)C[C@H]1C1CCC1 413890392 BBUSPEAVAJXXRN-NWDGAFQWSA-N 287.381 0.591 0 50 CCAA C[C@H]1CN(C(=O)[C@H]2CCOC2)CCN1C(=O)[C@H]1CCOC1 114156939 QHMDXGBJLWRIHZ-AVGNSLFASA-N 296.367 0.119 0 50 CCAA COC(=O)CN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100566634 FQTIOWHXHMZKNP-JTQLQIEISA-N 296.710 0.735 0 50 CCAA C[C@H](O)CN(C[C@@H](O)CN1CCCC1=O)c1ccccc1 229760475 GFOMOVVGEAAEJE-ZFWWWQNUSA-N 292.379 0.857 0 50 CCAA CCCc1nc(N2CCNC(=O)[C@@H]2C)c2cnn(C)c2n1 72171375 ILZFHDMHEXIMPY-VIFPVBQESA-N 288.355 0.641 0 50 CCAA CCCc1n[nH]cc1C(=O)N1CCC[C@@](O)(CO)C1 72148589 OYZRXLKACSXJAF-ZDUSSCGKSA-N 267.329 0.322 0 50 CCAA CN1CC[C@@H](CNC(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 328620352 GXWFOIXZMFVFOQ-RYUDHWBXSA-N 286.339 0.623 0 50 CCAA Cc1nc(N(C)CC2(CO)CC2)c2cnn(C)c2n1 72147345 DNBDDTZVOQUYJH-UHFFFAOYSA-N 261.329 0.880 0 50 CCAA Cn1ccnc1-c1nccn1CCN1CCC(O)CC1 72126342 ZTFQWRZAOBKAII-UHFFFAOYSA-N 275.356 0.740 0 50 CCAA CN1CCN(C(=O)[C@@H]2CCCOC2)C[C@H]1c1ncc[nH]1 328621500 HTKCTJADWRIZPL-NEPJUHHUSA-N 278.356 0.651 0 50 CCAA CC(C)(C)c1ccnc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)n1 334028445 JGKBYPWDKBZNKS-QWRGUYRKSA-N 290.367 0.868 0 50 CCAA CO[C@H]1CCN(S(=O)(=O)Cc2cc(C)no2)C1 330139392 OVLVHTQVANMXTP-VIFPVBQESA-N 260.315 0.534 0 50 CCAA CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C)o1 330613838 RPTXHOTZWSTWRH-JTQLQIEISA-N 293.323 0.055 0 50 CCAA C[C@H](C(=O)O)N(C)C(=O)c1ccc(N2CCCC2)nn1 155903957 LZSGSROMJMGNPL-SECBINFHSA-N 278.312 0.622 0 50 CCAA O[C@]1(CN2CCCCC2)CCN(Cc2ncc[nH]2)C1 77419661 LNVBFAZODKSKKB-AWEZNQCLSA-N 264.373 0.832 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)NCCc1nc(=O)o[nH]1 280040691 GHSYJAWCVFZCOV-IUCAKERBSA-N 269.301 0.227 0 50 CCAA Cc1cnc(N2CCC3(CC2)NC(=O)N(C)C3=O)s1 225513467 UXXRANRKCRXNEU-UHFFFAOYSA-N 280.353 0.972 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2ccon2)C1 284481300 BJKVIVORLSREJT-STQMWFEESA-N 279.340 0.886 0 50 CCAA CCOC(=O)c1nc[nH]c1C(=O)N1CCC[C@@H]1COC 97394256 SEHWPQVXSYBLSH-SECBINFHSA-N 281.312 0.837 0 50 CCAA C[C@@H]1CN(C(=O)c2nc[nH]c3nccc2-3)C[C@H](CO)O1 613859065 XXBZCDGYVKTOGA-RKDXNWHRSA-N 276.296 0.131 0 50 CCAA Cn1ccnc1CN1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1205111912 QCVJSBBTWWXXET-GRYCIOLGSA-N 251.330 0.392 0 50 CCAA Cc1ccn2c(C(=O)NCCc3ccco3)nnc2n1 426597176 DVJCUVKNVIFPRQ-UHFFFAOYSA-N 271.280 0.998 0 50 CCAA CN(C)CC(=O)n1nc(C(F)(F)F)cc1C(=O)O 95627545 UCWQXQIZNNPKFE-UHFFFAOYSA-N 265.191 0.802 0 50 CCAA CCCc1nc(C(=O)NCCN2CCNC2=O)cs1 91434450 AUOVBISWVCVCEX-UHFFFAOYSA-N 282.369 0.851 0 50 CCAA O=S1(=O)CC[C@@H](c2nc(-c3cccnn3)no2)C1 95516584 HNUXQFCZWLBASC-SSDOTTSWSA-N 266.282 0.429 0 50 CCAA C[C@@H](c1cccnc1)N(C)C(=O)Cn1ncn(C)c1=O 179460485 GTYDUIXRMQLXMA-JTQLQIEISA-N 275.312 0.196 0 50 CCAA Cc1nc([C@@H](C)NC(=O)CCCn2cccn2)n[nH]1 343337778 PTZREZICZMUZJG-SECBINFHSA-N 262.317 0.967 0 50 CCAA CCC[C@H](C)N1C[C@@H](C(=O)NCCC(=O)O)CC1=O 299751100 PMJINQSMDXEKBF-UWVGGRQHSA-N 270.329 0.614 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)Cc1ccc2nc(C)[nH]c2c1 534635614 HZODVFNZECNPAT-KBPBESRZSA-N 289.335 0.944 0 50 CCAA CNc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3N)ccn1 534666311 RTTDBIRWOPPJAX-PTEHBNRSSA-N 260.341 0.933 0 50 CCAA C[C@H](CN1CCOCC1)C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N 534676222 TWYODHPAQWYGHW-MQYQWHSLSA-N 281.400 0.150 0 50 CCAA O=C(CCOc1ccccc1)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1940193717 RHKLZQMCFYZZGM-CTHBEMJXSA-N 293.319 0.099 0 50 CCAA C[C@H]1CN(C(=O)c2cccc3c2CCC3=O)CC(=O)N1 584903751 OCZNLKQDOIYTBO-VIFPVBQESA-N 272.304 0.776 0 50 CCAA CN1CCC(CNC(=O)c2cncn2C)(N(C)C)CC1 584884857 RGIHFJHAGYNFQT-UHFFFAOYSA-N 279.388 0.176 0 50 CCAA O=C(CC1CC1)N1CCSC[C@@H]1c1nn[nH]n1 1332107633 RYLYUZPTOFVQGR-MRVPVSSYSA-N 253.331 0.616 0 50 CCAA CCn1cncc1CN1CCOC[C@@H]1CC(=O)O 97742838 ILDXEUBHEFHQGP-JTQLQIEISA-N 253.302 0.579 0 50 CCAA CC(C)C[C@@H](C(=O)O)N1CCS(=O)(=O)[C@@H](C)C1 629484608 LEIBNIKUDAYZCM-UWVGGRQHSA-N 263.359 0.605 0 50 CCAA CC(=O)N1CCN(C(=O)c2cncc(O)c2)C(C)(C)C1 408004567 NAPRBYAKCCXYLA-UHFFFAOYSA-N 277.324 0.870 0 50 CCAA CN1CC[C@H](C(=O)NS(=O)(=O)c2cccs2)C1=O 170599407 WDPACHXEQWUASZ-SSDOTTSWSA-N 288.350 0.031 0 50 CCAA C[C@@H]1C[C@@H](N)CN1C(=O)c1cn(Cc2cccs2)nn1 638938361 ZAHIADJRFXEPSJ-NXEZZACHSA-N 291.380 0.950 0 50 CCAA Cc1nn(CC(=O)N2CC3(CCOCC3)C[C@@H]2C)c(=O)o1 640477478 IBFQBYCOOBEIIF-JTQLQIEISA-N 295.339 0.562 0 50 CCAA COc1cnc(C(=O)N2CCOC[C@@]23CCOC3)nc1 556839324 AUQXLNMLMUXDRA-ZDUSSCGKSA-N 279.296 0.117 0 50 CCAA NC(=O)CN1CCN(c2nccc3cc(F)ccc23)CC1 584837826 ZMUMCWBUEDOVJI-UHFFFAOYSA-N 288.326 0.981 0 50 CCAA COC(=O)C[C@H](NC(C)=O)C(=O)N1CCC=C(Cl)C1 585127408 ZMLYQEVJSUVHQQ-JTQLQIEISA-N 288.731 0.409 0 50 CCAA Cc1ccc(C)c([C@H](C(=O)O)N(C)CC(N)=O)c1 1506423236 UWICWZUNBWETAO-GFCCVEGCSA-N 250.298 0.846 0 50 CCAA Cc1csc(CN2CCN(S(C)(=O)=O)CC2)n1 109013875 NVMPJOOLHWDEQC-UHFFFAOYSA-N 275.399 0.529 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc2nncn2c1 212647762 QVNYWKFNNFDYKV-VIFPVBQESA-N 260.253 0.419 0 50 CCAA Cn1c(NC(=O)/C=C/c2cccs2)cc(=O)n(C)c1=O 476150 SGXDOSABMFIRGK-AATRIKPKSA-N 291.332 0.797 0 50 CCAA Cc1nnc(COC2CN(C(=O)[C@@H]3CCCOC3)C2)o1 644213081 UZQYBHUYLFPCJT-SNVBAGLBSA-N 281.312 0.532 0 50 CCAA O=C(c1onc2ncccc12)N1CCN2C(=O)OC[C@H]2C1 1775982269 JATWAEMXZDUUTB-MRVPVSSYSA-N 288.263 0.499 0 50 CCAA COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccco1 13124541 NWLADGLMUJKWIT-SECBINFHSA-N 261.241 0.728 0 50 CCAA Cn1ccc(CNc2cnn(C)c(=O)c2Cl)n1 161566468 DSCCAKDQWRIOCR-UHFFFAOYSA-N 253.693 0.779 0 50 CCAA O=C(NCCn1cncn1)[C@H]1CC[C@H](c2ccccc2)N1 1857711628 AYLSYTWQCGXHDM-ZIAGYGMSSA-N 285.351 0.888 0 50 CCAA C[C@H]1C(O)=NCCCN1C(=O)c1cc2n(n1)CCCO2 329934804 CDJKHERDFXXUON-VIFPVBQESA-N 278.312 0.857 0 50 CCAA CC(C)[C@H]1NCC[C@@H]1C(=O)N1CCN(C(=O)N(C)C)CC1 336004344 YFDGHEXJEYPWDD-QWHCGFSZSA-N 296.415 0.446 0 50 CCAA O=C(O)[C@H]1CN(C(=O)[C@H]2Cc3cccc(F)c3O2)CCO1 360552799 LBOTYIOBXJLZTL-GHMZBOCLSA-N 295.266 0.441 0 50 CCAA C[C@@H]1CCCN[C@H]1CNC(=O)COC[C@@H]1CCCO1 390834586 GRHIOPMETQRKKI-AGIUHOORSA-N 270.373 0.686 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)N1CCNCC1 911647590 CFUJRCQUPKUGKC-HNNXBMFYSA-N 275.352 0.227 0 50 CCAA O=C(c1ccnc(-n2cccc2)c1)N1CCOC[C@H]1CO 912429636 KTPYVFXIQPULOT-CYBMUJFWSA-N 287.319 0.706 0 50 CCAA O=C(N1C[C@@H]2COC[C@]2(C(=O)O)C1)C1(C2CC2)CC1 902059431 DDPUQQPOZNLGKE-QMTHXVAHSA-N 265.309 0.736 0 50 CCAA Cn1nnnc1N1CCC(CO)(C(F)(F)F)CC1 929057426 GLIAXQMGXHTFPP-UHFFFAOYSA-N 265.239 0.351 0 50 CCAA CS(=O)(=O)N1CCN(Cc2ccccn2)CC1 19787595 ZSWOUFDFTOOASQ-UHFFFAOYSA-N 255.343 0.159 0 50 CCAA CN1CCC[C@@](O)(Cc2nc(-c3cncnc3)no2)C1 1875268482 SPIDGHYDICUDTK-CYBMUJFWSA-N 275.312 0.526 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCO)n[nH]c21 1875289562 ASQAVVAXNFSTJJ-SFYZADRCSA-N 253.302 0.496 0 50 CCAA CCCC[C@H](C(=O)OC)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 240471606 GDCTZPUTYYWCJO-QJPTWQEYSA-N 289.397 0.837 0 50 CCAA O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccnn1 701815128 QDWQGGHCKGOOCQ-CHWSQXEVSA-N 255.277 0.865 0 50 CCAA CN1CCC(O)(CNC(=O)CCC(F)(F)F)CC1 354733814 NSNDRUOZLABSJH-UHFFFAOYSA-N 268.279 0.902 0 50 CCAA CCN1CCn2c(nnc2[C@H]2CCCCN2C)C1=O 2100477921 JZEDSTJJRQYUMB-SNVBAGLBSA-N 263.345 0.911 0 50 CCAA CN(C(=O)[C@H]1CNC(=O)c2ccccc21)C1COC1 2325785016 ZMLBPAXFDODRAI-LBPRGKRZSA-N 260.293 0.371 0 50 CCAA O=C(O)C[C@@H]1CN(CCn2ccnc2)CC2(CCC2)O1 2325787379 XPITVRZVRDGXES-GFCCVEGCSA-N 279.340 0.981 0 50 CCAA Cc1cc(C)n(S(=O)(=O)c2ccc(N)cc2)c(=O)n1 284314 WHSFESQVBRKCEG-UHFFFAOYSA-N 279.321 0.679 0 50 CCAA Cc1ccc(N([C@@H](C)C(N)=O)S(C)(=O)=O)cc1C 614741 NVULRVUWCJDMCG-JTQLQIEISA-N 270.354 0.943 0 50 CCAA CCOC(=O)c1cnc2c(cnn2C)c1NCCCN 2509206 YGWSMKYKKXNTIY-UHFFFAOYSA-N 277.328 0.906 0 50 CCAA Cc1cc(C(=O)N2CCS(=O)(=O)CC2)nn1C(F)F 2356169363 ZFXFSHONAZXLRJ-UHFFFAOYSA-N 293.295 0.457 0 50 CCAA C[C@H](NC(=O)C(=O)NCCN(C)C)c1ccccc1 2853572 ORFXAOFNICKTPT-NSHDSACASA-N 263.341 0.542 0 50 CCAA CC(=O)Nc1ccc(OCCO)c(OCCO)c1 4012647 VRSKJXCEFVVUPD-UHFFFAOYSA-N 255.270 0.387 0 50 CCAA CC(=O)c1ccccc1OC[C@@H](O)CN1CCOCC1 20419459 QGRBFZOIRDCXLZ-ZDUSSCGKSA-N 279.336 0.961 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(Cc2cnn3ccccc23)C1 343971132 FGFOOJJVMAQLSL-QWHCGFSZSA-N 261.325 0.916 0 50 CCAA NC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H](N)C1 237966516 WNXVEPDCIPHBTA-UTUOFQBUSA-N 267.373 0.760 0 50 CCAA CNC(=O)Cc1n[nH]c(-c2cncc(Br)c2)n1 32605320 UGWINRBOESKRLA-UHFFFAOYSA-N 296.128 0.918 0 50 CCAA Cc1ccn(CC(=O)N[C@H]2CCNC2(C)C)c(=O)c1 335232861 SIVZUINBBWCISF-NSHDSACASA-N 263.341 0.413 0 50 CCAA CN(C)CC(C)(C)CNC(=O)c1ccc(=O)n(C)c1 127874134 NYTOCIRPNUHJQO-UHFFFAOYSA-N 265.357 0.703 0 50 CCAA CCc1nc(CN2CCN(c3cnccn3)CC2)n[nH]1 181658495 XUZFVANWAFFVOD-UHFFFAOYSA-N 273.344 0.479 0 50 CCAA CS(=O)(=O)C1CN(S(=O)(=O)CC2CCCC2)C1 333082851 MKVMNMXESXZSKU-UHFFFAOYSA-N 281.399 0.235 0 50 CCAA OCCn1ncc2c1CN(c1ncnc3c1CCC3)C2 71278664 FXJSDZMEJDHYLA-UHFFFAOYSA-N 271.324 0.674 0 50 CCAA NCc1ccc(C(=O)NCCc2nc(N)cc(O)n2)cc1 222246014 RXWMYDUBAZRUAS-UHFFFAOYSA-N 287.323 0.196 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCCc1scnc1C 221376387 HNALHFPMJJETJR-MRVPVSSYSA-N 271.342 0.855 0 50 CCAA Cc1cnc(N2CC[C@@](O)(c3c[nH]nn3)C2)nc1C 284678289 XCYFZLDABFHRLH-LBPRGKRZSA-N 260.301 0.309 0 50 CCAA CCN1CCC[C@@H](CN(C)C(=O)Cn2ccnn2)C1 426527703 GUJDODBJZPWNML-LBPRGKRZSA-N 265.361 0.468 0 50 CCAA NC(=O)C1CCN(c2cc([C@@H]3CCOC3)nc(N)n2)CC1 426431136 TVSDONZBTODBJU-SNVBAGLBSA-N 291.355 0.264 0 50 CCAA Cc1nc(C)n(CCCNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n1 426549228 XRKAMNQUVHTREB-NWDGAFQWSA-N 294.355 0.902 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCCC[C@H]2CN)cn1C 426478255 YZLKXUKVGZNLDN-NSHDSACASA-N 263.341 0.647 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(CCC2=CSC3=NCCCN23)C1 198100879 DINWKEOKJKGWTI-SECBINFHSA-N 295.364 0.960 0 50 CCAA Cc1nc(N)nc(N2CC[C@@]3(O)CCNC[C@H]3C2)c1Cl 95385093 LRECPABDXNPPPG-ZANVPECISA-N 297.790 0.571 0 50 CCAA Cn1ccnc1CN1C[C@H](CO)[C@H](CN2CCCCC2)C1 91724426 JCNFUJLMVVDTFI-HUUCEWRRSA-N 292.427 0.946 0 50 CCAA COc1cc(N2CCC3(CC2)[C@@H](OC)C[C@H]3O)nc(N)n1 92081194 LESMHKZHEWTKRH-ZJUUUORDSA-N 294.355 0.434 0 50 CCAA N[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1O 95496228 IRKGMFWANMCSOS-VXGBXAGGSA-N 250.298 0.717 0 50 CCAA COCc1cc(NCCN2CCOC2=O)ncn1 91625376 GSPVVNIFWGKGFV-UHFFFAOYSA-N 252.274 0.487 0 50 CCAA CC(C)Nc1ncc(CN2CCN(CC(=O)O)CC2)cn1 244708215 KPNPHUTWKPXMEQ-UHFFFAOYSA-N 293.371 0.499 0 50 CCAA CCCn1ncnc1[C@H](C)NS(=O)(=O)N(C)C 534637809 LGNXCTHSJHPDGT-QMMMGPOBSA-N 261.351 0.145 0 50 CCAA COc1ccnc(CN2C[C@@H]3NCCO[C@H]3C2)c1OC 534656849 HOTQQUGSKFSHNG-GWCFXTLKSA-N 279.340 0.271 0 50 CCAA CC(=O)N[C@H]1C[C@H](C(=O)N2CCCCC2)C[C@@H]1O 1940195680 XOWKDPRLLTWXBM-SRVKXCTJSA-N 254.330 0.275 0 50 CCAA C[C@H](C(=O)NC(C)(C)C)N1CCN(c2nc[nH]n2)CC1 299782545 JHQOHCFRMKIXQB-SNVBAGLBSA-N 280.376 0.230 0 50 CCAA CC(C)C1=NO[C@@H](C(=O)NCCN2CCCCC2=O)C1 827791876 APQNMRCHZUYLGM-GFCCVEGCSA-N 281.356 0.916 0 50 CCAA CC(C)C[C@@H](C(N)=O)n1cnc2nccnc2c1=O 584896737 QFAVAZOSHWEFRD-QMMMGPOBSA-N 261.285 0.259 0 50 CCAA COCCN1CC[C@@H](CN(C)S(=O)(=O)CC(C)C)C1 670447979 CMVYFQORXHXKNS-ZDUSSCGKSA-N 292.445 0.872 0 50 CCAA COc1nccnc1N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N(C)C 1074609745 DMWFFXNFJFMMMP-VLEAKVRGSA-N 264.329 0.615 0 50 CCAA Cc1onc(C(=O)NCCSc2nncn2C)c1CO 885938842 AIGMCFTYLUCGAJ-UHFFFAOYSA-N 297.340 0.126 0 50 CCAA N[C@@H](C1CCC1)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958528182 NRDGACGDRXKZBY-PSIUFMSWSA-N 259.371 0.585 0 50 CCAA Cc1nc(C)c(C)c(N2C[C@H](CO)[C@@H](CO)C2)n1 1565515070 LHRLOBWXJDJQQI-VXGBXAGGSA-N 251.330 0.439 0 50 CCAA Cc1[nH]ccc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N(C)C 1565513289 MHWSYDYPMJOJPB-RNJOBUHISA-N 263.341 0.770 0 50 CCAA C[C@@H]1C[C@H](O)CN1C(=O)c1cc(C(N)=O)cs1 408294526 NHLPNBVXGYQPCR-SVRRBLITSA-N 254.311 0.442 0 50 CCAA CC[C@H]1NC(=O)N(C[C@@H](n2cncn2)C(F)(F)F)C1=O 630991301 JJWJRYPPLZWEJW-RNFRBKRXSA-N 291.233 0.712 0 50 CCAA COc1ncc(CN2C[C@@H](O)C[C@@H]2CO)cc1Cl 547789225 SKYMTINTNYNERK-ZJUUUORDSA-N 272.732 0.671 0 50 CCAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc[nH]n1 275319875 IZMCVZFLYFIVFT-ONGXEEELSA-N 275.312 0.886 0 50 CCAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCNCC1 201759533 UHYZLLMXSUUTEZ-UHFFFAOYSA-N 282.365 0.444 0 50 CCAA CNC(=O)C[C@@H]1CCN(CCn2nccc2C)C1 1506398185 IEIMREYASBOCAQ-LBPRGKRZSA-N 250.346 0.650 0 50 CCAA CN1Cc2cc(-c3cc(=N)[nH]c(=N)[nH]3)ccc2C1=O 1875248926 YJLNFKGGGNSAQT-UHFFFAOYSA-N 255.281 0.554 0 50 CCAA CO[C@@H](C)c1nnc(NC(=O)CN2CCCC2=O)s1 1529186394 YFQKRPRXBBJOIS-ZETCQYMHSA-N 284.341 0.806 0 50 CCAA COc1cnc(N2C[C@H](O)[C@H](Cc3ccncc3)C2)nc1 1704339896 ZAIHGUVWWDTWDJ-OCCSQVGLSA-N 286.335 0.920 0 50 CCAA CNS(=O)(=O)[C@@H]1CCN(Cc2cc(OC)ccn2)C1 156076127 QFIOKDJUYFZRKW-GFCCVEGCSA-N 285.369 0.214 0 50 CCAA CCn1ccc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)n1 1775981956 ZFKXAKVCGNUOKS-ZWNOBZJWSA-N 265.313 0.436 0 50 CCAA OCC1(CO)[C@@H]2CN(C[C@H]3C[C@@H]4CC[C@H]3O4)C[C@H]21 1772709466 NQWXZLOFXHYIPC-NZEXEKPDSA-N 253.342 0.087 0 50 CCAA COC(=O)CCC(=O)N[C@H]1CCCN(c2ncccn2)C1 12596373 UYXHSIBHFRPDDM-NSHDSACASA-N 292.339 0.515 0 50 CCAA CC(C)(C)OC(=O)N1CCN(C(=O)CCN)CC1 19976435 IAVGDVAEJBSATD-UHFFFAOYSA-N 257.334 0.415 0 50 CCAA CNC(=O)c1nc([C@H]2CC(=O)N(C3CC3)C2)[nH]c1C 200574865 MCXOVTOHBVLXEB-QMMMGPOBSA-N 262.313 0.556 0 50 CCAA COc1ccc(CN[C@H]2COC[C@H]2O)c(OC)c1C 1857721395 MPIGEFNWEUFACG-NWDGAFQWSA-N 267.325 0.862 0 50 CCAA COC[C@@H]1CCCN(c2nc(O)c3cnn(C)c3n2)C1 408147815 CVUFCCFYDJWAPB-SECBINFHSA-N 277.328 0.932 0 50 CCAA COC[C@H](O)CN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 128437485 ARFIJRVYEGRWSS-BNOWGMLFSA-N 282.384 0.469 0 50 CCAA C[C@@H]1[C@H](CO)CCCN1c1cc(N2CCOCC2)ncn1 665753601 PQHRMRRJTLWGDS-OLZOCXBDSA-N 292.383 0.910 0 50 CCAA CCOC(=O)CC[C@H](C)N1CCO[C@H](CC(=O)OC)C1 253415756 UYBZQJTYVRPTPZ-NWDGAFQWSA-N 287.356 0.982 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C1 261876635 RIHUZNINHSAMHH-JTQLQIEISA-N 277.276 0.891 0 50 CCAA O=C1CC[C@H](N=c2[nH]ccn3cnnc23)C2(CCC2)N1 374580889 VRZWWWIGHQKDMC-VIFPVBQESA-N 272.312 0.159 0 50 CCAA N[C@H]1CCCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 158013339 AOQJXMPXRANJQX-NSHDSACASA-N 289.314 0.970 0 50 CCAA CCC1CCN(S(=O)(=O)N(C)C2CC(N)C2)CC1 903498624 BVKKSUUQBGBXGK-UHFFFAOYSA-N 275.418 0.775 0 50 CCAA Cc1nc(O)c2c(n1)CN([C@@H](C)c1nnnn1C)C2 931314479 BREVQDBQZYMTQC-LURJTMIESA-N 261.289 0.091 0 50 CCAA Cc1cncn1CC(=O)NC[C@@H](C(=O)O)C1CCOCC1 864281691 WUPWIFBAELVQDM-GFCCVEGCSA-N 295.339 0.435 0 50 CCAA CCn1ccnc(N(C)Cc2ccc(N)nc2)c1=O 127113751 VYTHSYCFXWISHJ-UHFFFAOYSA-N 259.313 0.877 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H](CC(C)C)c1nn[nH]n1 1875370723 AVTXRKWRMJIBTO-SECBINFHSA-N 280.332 0.048 0 50 CCAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@H]1Cc2nccn2C1 1875311158 ORUYQLSQBYYRPH-HWUMTFDVSA-N 275.308 0.281 0 50 CCAA NCC12CC(NC(=O)c3cn(CC(F)(F)F)nn3)(C1)C2 2325787649 NOINEJXSJDHRHE-UHFFFAOYSA-N 289.261 0.452 0 50 CCAA Cc1nc(-n2ncc3cc(O)ccc3c2=O)n(C)n1 2325865569 HUEWIMFNIUJMLW-UHFFFAOYSA-N 257.253 0.528 0 50 CCAA O=C(O)[C@H]1[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC[C@H]21 905007327 XKWOGZKRSQUUCQ-ASHHDVGLSA-N 279.336 0.981 0 50 CCAA O=C(CC(=O)NCc1ccccn1)NCc1ccccn1 134387 FOXVDESERMVXAL-UHFFFAOYSA-N 284.319 0.799 0 50 CCAA CC(C)O[C@H]1[C@@H](OC(C)C)N=C(N[N+](=O)[O-])N1C 434253 QNNQJPNPVQXHIJ-BDAKNGLRSA-N 260.294 0.571 0 50 CCAA Nc1nncn1C(=O)CCCN1C(=O)c2ccccc2C1=O 616004 UUXGOGPAPRCZGI-UHFFFAOYSA-N 299.290 0.577 0 50 CCAA CN(CCCO)Cc1ccc2n(c1=O)C[C@@H]1CNC[C@H]2C1 2356166895 FBOQEAOIADGGPF-GXTWGEPZSA-N 291.395 0.369 0 50 CCAA COc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1 4726529 BGTORACXJFLSNT-UHFFFAOYSA-N 270.354 0.807 0 50 CCAA Cc1ccc(-n2c(SCC(N)=O)nc(O)cc2=O)cc1 8683674 ABVSTNDOYVYWPU-UHFFFAOYSA-N 291.332 0.824 0 50 CCAA COC(=O)[C@@H](C)N(C)CC(=O)NC1CCN(C2CC2)CC1 225472154 FFAKKKGFXGDPQI-LLVKDONJSA-N 297.399 0.223 0 50 CCAA CO[C@@H](C)CC(=O)NS(=O)(=O)c1ccc(Cl)cn1 112158659 CHWSJHHBISEEAL-ZETCQYMHSA-N 292.744 0.965 0 50 CCAA Cc1nnc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)o1 53966200 PBRZDVDIMNYWII-JTQLQIEISA-N 292.339 0.785 0 50 CCAA NC(=O)[C@@H]1CCCN(CCCNC(=O)c2cc[nH]c2)C1 68333338 PPYQUYYXAALQNX-GFCCVEGCSA-N 278.356 0.332 0 50 CCAA O=C(O)[C@H]1CC(=O)N(Cc2nc(-c3ccccc3)n[nH]2)C1 65470243 ASZFPRDEBJRNJC-JTQLQIEISA-N 286.291 0.905 0 50 CCAA NC(=O)COc1ccccc1[C@H]1NCCc2[nH]cnc21 65507484 DGCPMRWJRSYZTO-CYBMUJFWSA-N 272.308 0.509 0 50 CCAA CC(C)CN1N=C(C(=O)N[C@@H]2C=C[C@H](CO)C2)CCC1=O 134957121 LEDMPHCQMQCSBR-NWDGAFQWSA-N 293.367 0.674 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)C2(C)COC2)N(C)C1 346697509 DKXVESSWTJNQLI-QWRGUYRKSA-N 256.346 0.200 0 50 CCAA CC(C)(C)OC(=O)COCCOCCOCCN 115619066 OTTHWLFOQWLZKB-UHFFFAOYSA-N 263.334 0.337 0 50 CCAA COc1ccnc(N2CCN(Cc3cncn3C)CC2)n1 177269309 SXJLUQCLNADFJX-UHFFFAOYSA-N 288.355 0.541 0 50 CCAA Cc1cc(N2CCC[C@H]2c2nc(C(N)=O)no2)ncn1 328614808 AMBWSLRQVZNTFX-QMMMGPOBSA-N 274.284 0.608 0 50 CCAA Cc1nc(C)n(CCCNC(=O)c2cnc(O)cn2)n1 219044545 KYEWDCNHIFHANM-UHFFFAOYSA-N 276.300 0.211 0 50 CCAA O[C@H]1CCC[C@H]1N1CCN(c2ncnc3[nH]ccc23)CC1 360277640 BFTKVGTVQCSLGS-OLZOCXBDSA-N 287.367 0.993 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(C2CC2)C1 335790620 PEZCXESEHUVPNN-KOLCDFICSA-N 252.314 0.592 0 50 CCAA O=C(C[C@H](O)Cc1ccccc1)N1C[C@@H](F)C[C@H]1CO 331141967 XMJKZGVJGSTCIY-MELADBBJSA-N 281.327 0.911 0 50 CCAA O=C(O)C1CCC(NS(=O)(=O)[C@H]2CCOC2)CC1 262406594 KWCPCKJKGHGREP-RTBKNWGFSA-N 277.342 0.338 0 50 CCAA CCOc1cc(C(=O)N2CC[C@](O)(C(N)=O)C2)ccc1C 376103919 SYDXKFZLEDQFRL-OAHLLOKOSA-N 292.335 0.456 0 50 CCAA CCN1C[C@@H](c2nc(-c3cncn3C)no2)CC1=O 333182837 NDEHIDCIXGDGLR-QMMMGPOBSA-N 261.285 0.806 0 50 CCAA COc1cc(C(=O)N(C)OC)c(OC)nc1OC 78494388 JHYIVTVMUJLJAO-UHFFFAOYSA-N 256.258 0.741 0 50 CCAA in-vitro CCCc1cc(C(=O)N2CCOC[C@H]2CO)no1 77453392 YVGRCZILRUFDHK-SECBINFHSA-N 254.286 0.460 0 50 CCAA O=C(O)CCNC(=O)CCN1C(=O)CCc2ccccc21 238168833 XSKLWFWPZKFDSH-UHFFFAOYSA-N 290.319 0.947 0 50 CCAA C[C@@H](CS(=O)(=O)N1CCC(CC(N)=O)CC1)C1CC1 1364786688 VOXZIGUCLWABCW-JTQLQIEISA-N 288.413 0.950 0 50 CCAA C[C@H]1CN(C(=O)C(=O)N[C@@H](C)c2cccnc2)C[C@@H](C)O1 283056406 KFSPKGIOJCXURS-TUAOUCFPSA-N 291.351 0.895 0 50 CCAA CCc1nnc(CNC(=O)CN2CCCN(C)CC2)s1 222785725 FOBMKCANDRKKNC-UHFFFAOYSA-N 297.428 0.354 0 50 CCAA CCC(CC)(CO)CN(C)C(=O)Cc1nc(O)n[nH]1 426536223 CPJOWUCWMPKYDK-UHFFFAOYSA-N 270.333 0.310 0 50 CCAA COC(=O)N1CCN(C(=O)Cc2csc(C)n2)CC1 41419300 VXDBTLNAMPUVLF-UHFFFAOYSA-N 283.353 0.905 0 50 CCAA CCO[C@H]1CN(CC(=O)NCc2cccs2)C[C@@H]1O 222624612 YBNWWFNTZYGPSN-RYUDHWBXSA-N 284.381 0.446 0 50 CCAA O=C([C@@H]1CCOC1)N1CCN(c2cccnc2)CC1 82109651 CMFVJORSWXXVIZ-GFCCVEGCSA-N 261.325 0.767 0 50 CCAA C[C@H]1[C@H](C)CCCN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 177369839 YFMCGEAADRXSHU-NOOOWODRSA-N 283.372 0.849 0 50 CCAA COCC1(CNC(=O)[C@H](C)CN2CCOCC2)CCC1 337654649 NBFSAFNYEHZQGC-CYBMUJFWSA-N 284.400 0.888 0 50 CCAA CC[C@@]1(C(=O)O)CCCN(C(=O)c2[nH]cnc2C(=O)O)C1 91493388 QFXWJAAZHCTFBW-CYBMUJFWSA-N 295.295 0.825 0 50 CCAA Cn1cnc(CNc2ncnc3c2ncn3C2CC2)n1 292644550 GDJCBGLCPSGGLJ-UHFFFAOYSA-N 270.300 0.902 0 50 CCAA O=C([C@@H]1C[C@@H](F)CN1Cc1ccon1)N1CCOCC1 299746290 WLCMGOAABPINCY-PWSUYJOCSA-N 283.303 0.446 0 50 CCAA COCCCN1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 299754079 XDXCPHUFXXUFTA-GOEBONIOSA-N 297.443 0.897 0 50 CCAA CN1CCN(CC(=O)NCC[C@@H]2CCCCN2)C1=O 534673844 TWQHEJPJKUCCEA-NSHDSACASA-N 268.361 0.002 0 50 CCAA CCc1c(C)nc(C)nc1N1CCO[C@H](CN)C1 534581262 QEKLKZYNSUDINU-LLVKDONJSA-N 250.346 0.820 0 50 CCAA O=C1NC2(CCNCC2)C(=O)N1Cc1ccccc1 14000449 WJRLGNVYLYHGDS-UHFFFAOYSA-N 259.309 0.861 0 50 CCAA CCn1cc(CNC(=O)N2CC[C@H](CN(C)C)C2)cn1 287994571 AOXBVUQAQGTQDY-GFCCVEGCSA-N 279.388 0.996 0 50 CCAA Cc1cnn(C)c1CN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299779972 SJTOOHAGACYHQR-KBPBESRZSA-N 288.355 0.666 0 50 CCAA CC[C@H](C(=O)N1CCN(c2cnccn2)CC1)N(C)CC 822549833 ADBBZQBUDCZFOR-CYBMUJFWSA-N 291.399 0.856 0 50 CCAA NC(=O)CN1CCC(c2ncnn2-c2cccnc2)CC1 826838718 NFSXFWJBYJDKBN-UHFFFAOYSA-N 286.339 0.327 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)CCc1ccncc1 584893218 LIUXXYCXOLSTRJ-KBPBESRZSA-N 277.368 0.850 0 50 CCAA CC(=O)N[C@H](C)CC(=O)NCCC1(O)CCCC1 584894682 UFMHZFSWLQKZSE-SNVBAGLBSA-N 256.346 0.713 0 50 CCAA CN1C(=O)[C@@H]2CCC[C@H]1CN(C(=O)C1CCOCC1)C2 670458333 OLYFMDFWDGULMM-OLZOCXBDSA-N 280.368 0.882 0 50 CCAA C[C@H]1CCCN1C(=O)C1(CS(C)(=O)=O)COC1 1346238242 WCKHPPBGRTVWRY-VIFPVBQESA-N 261.343 0.059 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CCOCC1 408388415 VJVVAHXTKYIQLR-NEPJUHHUSA-N 271.357 0.849 0 50 CCAA Cc1ncc(Cl)c(C(=O)N[C@H]2COCC[C@@H]2O)n1 1565506252 MRXLWAVDCHBMTB-IUCAKERBSA-N 271.704 0.318 0 50 CCAA COCC[C@@H](C)N[C@H]1CCCN(c2nccn(C)c2=O)C1 275731807 ZWCMZLQMSHQRKD-OLZOCXBDSA-N 294.399 0.764 0 50 CCAA Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)C2CC2)cn1 189193076 YLHWUZXRFSTLRC-WDEREUQCSA-N 271.342 0.332 0 50 CCAA COC(=O)C[C@H](NC(C)=O)C(=O)N(C)C[Si](C)(C)C 585127008 NKMWNZUCNIHBBY-JTQLQIEISA-N 288.420 0.390 0 50 CCAA COc1cccc(C(=O)NS(=O)(=O)[C@@H]2CCOC2)c1 733725701 RCEBEQHOFHXFIW-LLVKDONJSA-N 285.321 0.544 0 50 CCAA CN(CCCS(=O)(=O)N(C)C)Cc1cnccn1 244601867 DTDRQWLHZGIEFK-UHFFFAOYSA-N 272.374 0.190 0 50 CCAA COCc1nn(Cc2cccc(N(C)C)n2)c(=O)o1 1613634332 PGZAOQRYRWIFGL-UHFFFAOYSA-N 264.285 0.492 0 50 CCAA C[C@@H]1CCCN(CC(=O)NCC2CCN(CCO)CC2)C1 1506404725 REDPZGCZNVCISD-CQSZACIVSA-N 297.443 0.539 0 50 CCAA COCCN1CC[C@@H](CNc2ccc(C(N)=O)cn2)C1 1506396256 FGKUMDUJKJSJKX-NSHDSACASA-N 278.356 0.561 0 50 CCAA OCCN(CCn1cnnc1)Cc1ccc(F)cc1 1506396220 IEQJZVPBZBYTEY-UHFFFAOYSA-N 264.304 0.912 0 50 CCAA CS(=O)(=O)NCc1cncc(Br)c1 116648459 KAAICSHHAREOHS-UHFFFAOYSA-N 265.132 0.893 0 50 CCAA COCc1nc(C)cc(N2C[C@@H](OC)C[C@H]2CO)n1 671438696 HCKPRXONMOBXJK-QWRGUYRKSA-N 267.329 0.517 0 50 CCAA COCCN1CCC[C@@](O)(CN2CCSCC2)C1=O 12591492 DFYKDLZWEXFQDK-CYBMUJFWSA-N 288.413 0.035 0 50 CCAA COCC(=O)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 15079426 NHLLXOTWSCHLTI-CQSZACIVSA-N 290.363 0.983 0 50 CCAA C[P@](=O)(O)CN1CCN(C[P@](C)(=O)O)CC1 19730930 WQJLZHJCVAUDMU-UHFFFAOYSA-N 270.206 0.319 0 50 CCAA Cc1ncc(S(C)(=O)=O)c(N2C[C@H]3C[C@@H](O)C[C@H]3C2)n1 1857683202 FWOGNGWUQMXFEQ-JGPRNRPPSA-N 297.380 0.396 0 50 CCAA CCC[C@@]1(CO)CN(Cc2cc(O)nc(C)n2)CC[C@@H]1O 1857735922 VSYLRVSHNIESOL-ZFWWWQNUSA-N 295.383 0.836 0 50 CCAA CC(C)n1ccnc1CN1CC[C@](O)(Cn2ccnn2)C1 671552233 FWRSYOMYAKKRHR-CQSZACIVSA-N 290.371 0.693 0 50 CCAA Cc1nn(C(C)C)cc1CN1CC[C@@H]2OCC(=O)N[C@H]2C1 253432013 WBMJXBLWTWODAB-KBPBESRZSA-N 292.383 0.862 0 50 CCAA CNc1ccccc1CN[C@@H]1CCN(S(C)(=O)=O)C1 902614974 VZYFBUHOXJPWJS-GFCCVEGCSA-N 283.397 0.852 0 50 CCAA CNc1ccc(NC(=O)C(=O)NOC2CCOCC2)cc1 1118915348 RTDUVADASKBJBX-UHFFFAOYSA-N 293.323 0.894 0 50 CCAA C=CC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 848979325 UBRHDXVTNZPAPO-CQSZACIVSA-N 273.336 0.543 0 50 CCAA C=CC(=O)NC[C@@]1(CO)COCCN1Cc1ccccc1 1875375121 RMMQTAUHSMZWOU-MRXNPFEDSA-N 290.363 0.552 0 50 CCAA O=C(O)CN(CC1CC1)C(=O)[C@H]1C[C@@H](CC(=O)O)C1 1875306744 NPASFULGYKZJAS-AOOOYVTPSA-N 269.297 0.811 0 50 CCAA O=C(CCCn1ccnc1)N1CCO[C@@H]2COCC[C@@H]21 888773558 LTSNFWYLCFKGDV-QWHCGFSZSA-N 279.340 0.680 0 50 CCAA C[C@H]1CN(c2nnc(-c3ccon3)s2)CC(=O)N1 894074738 XXXVSOCIAPCMTR-LURJTMIESA-N 265.298 0.518 0 50 CCAA Cn1cc(-c2cn(CCO[C@H]3CCOC3)nn2)cn1 899735613 NNXPSVRHLRJQCA-NSHDSACASA-N 263.301 0.484 0 50 CCAA COC(C)(C)C[C@H](C)N1CCN(CC(=O)O)C(=O)C1 534647953 AQQLMBSPWGWYDD-JTQLQIEISA-N 272.345 0.419 0 50 CCAA CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ncc[nH]1 647900825 VMFBRIGVKOTQOI-GHMZBOCLSA-N 284.385 0.657 0 50 CCAA CCOC(=O)c1cnc(S(C)(=O)=O)nc1Cl 116708722 AXYVXVXZUCFQGF-UHFFFAOYSA-N 264.690 0.710 0 50 CCAA COCC[C@H]1CNCCN1Cc1cc(C)n(C)n1 903837063 BEBYXPCFRVMYGX-ZDUSSCGKSA-N 252.362 0.539 0 50 CCAA O=C(O)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 49740 HINOXWVZGLPOED-WCBMZHEXSA-N 251.238 0.705 0 50 CCAA CCCc1nnc(NC(=O)CN2C(=O)CCC2=O)s1 858542 VQYJKGOAWSJDBK-UHFFFAOYSA-N 282.325 0.578 0 50 CCAA CCN(CC)C(=S)S[C@H]1CS(=O)(=O)C[C@H]1O 4304630 TULIRXDZFOOIPW-SFYZADRCSA-N 283.440 0.504 0 50 CCAA Cc1ccc(C)c(NC(=O)C[C@@H]2NCCNC2=O)c1 9483956 VPKVOHWAGUCGPA-LBPRGKRZSA-N 261.325 0.720 0 50 CCAA CN(C)c1ncc(CN2CCN(C)[C@H](CCO)C2)s1 106742077 KDCFQULAFKWGSX-LLVKDONJSA-N 284.429 0.708 0 50 CCAA COCCN1CC[C@H](CNC(=O)c2cc[nH]c2)C1 68385216 IXACNKHTNUEVTB-LLVKDONJSA-N 251.330 0.713 0 50 CCAA CNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 67603836 UQBDFAPBMQUQTD-UHFFFAOYSA-N 268.338 0.976 0 50 CCAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 67909928 SRUUVPRJXQFQIX-NSHDSACASA-N 290.367 0.944 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)c1ccc(=O)[nH]c1 67724966 GTOFZHLPRJLSTF-LLVKDONJSA-N 260.297 0.780 0 50 CCAA COC(=O)CNC(=O)c1noc2c1CCCCC2 122281735 HHNJODXBGANZKS-UHFFFAOYSA-N 252.270 0.846 0 50 CCAA CN(C)C[C@@]1(O)CCCN(C(=O)Cc2ccncc2)C1 215705534 PXNFUKWPQLEJTP-HNNXBMFYSA-N 277.368 0.539 0 50 CCAA CS(=O)(=O)NCCNC(=O)C[C@H]1CCc2ccccc21 216334449 PQKPSBHTBGUEPH-GFCCVEGCSA-N 296.392 0.772 0 50 CCAA CCN(CC)CC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328625450 KTTJHPBGDCCCOZ-GFCCVEGCSA-N 279.388 0.567 0 50 CCAA C[C@@H]1CC(O)=N[C@H](C(=O)N2CCO[C@@]3(CCOC3)C2)C1 329119419 JSSLZQRECIZFDD-MJVIPROJSA-N 282.340 0.759 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CCCOc2ccccc2)CCN1 71749695 VEMYRKVJKNEGRG-CYBMUJFWSA-N 292.335 0.731 0 50 CCAA O=C(CN1CCOCC1)NCCc1nccs1 219470907 MHYNQRRCBNKLJM-UHFFFAOYSA-N 255.343 0.134 0 50 CCAA Cn1ccs/c1=N\C(=O)c1cc2n(n1)CCO2 368077900 ZOENUEYVWPYEDF-KHPPLWFESA-N 250.283 0.417 0 50 CCAA N=C(O)[C@@H](c1ccccc1)N1CCN2C(=O)NC(=O)[C@H]2C1 332576889 GRPHMTWUSQMAKG-GHMZBOCLSA-N 288.307 0.499 0 50 CCAA CO[C@]1(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CCOC1 332950277 VZYRSCXLQARYNE-SGMGOOAPSA-N 269.341 0.866 0 50 CCAA CO[C@@H]1CN(S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@H]1O 333087082 ADIOHVDGJTXBQV-REWJHTLYSA-N 297.376 0.564 0 50 CCAA CC1CCC(OCC(=O)N2CCOC[C@@H]2C(N)=O)CC1 373590597 CWHVVEJNWLGHJH-HTAVTVPLSA-N 284.356 0.294 0 50 CCAA O=C1CC[C@H](NC(=O)[C@H]2CCc3ccccc3O2)C(=O)N1 334057955 WRWXLBWQAGPNQN-CMPLNLGQSA-N 288.303 0.302 0 50 CCAA CCN1CC[C@@H](NC(=O)N2CCCN(CC)C(=O)C2)C1 334116029 HGSCLVIXHKSNFT-GFCCVEGCSA-N 282.388 0.344 0 50 CCAA O=C(Cc1ncccc1F)NC[C@@H]1CN(C2CC2)CCO1 376716382 SJLHVASFDAENNS-GFCCVEGCSA-N 293.342 0.743 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cnn2cccnc12 282228033 UWBMMKIIAGIONJ-SCZZXKLOSA-N 273.296 0.126 0 50 CCAA CCN1CCC[C@H]1CNS(=O)(=O)CC[C@H]1CCCO1 240540897 GQAWOHNOYCVNMA-QWHCGFSZSA-N 290.429 0.959 0 50 CCAA COCc1nc(C)c(C(=O)N[C@H]2CCC(=O)NC2=O)s1 340264133 LPJHHACOWYXXEL-ZETCQYMHSA-N 297.336 0.133 0 50 CCAA CN(C(=O)Cc1cc(=O)[nH][nH]c1=O)[C@H]1CCOC(C)(C)C1 223404730 ZSAQFKSKQFKPOM-JTQLQIEISA-N 295.339 0.022 0 50 CCAA COC(=O)NCCNC(=O)c1ccn(C(C)C)n1 496999900 SDOWMLGGJOIHFJ-UHFFFAOYSA-N 254.290 0.550 0 50 CCAA CC(C)c1noc([C@H](C)NC(=O)N2CCCNC(=O)C2)n1 426734167 TWWKJKHRZOCAOZ-VIFPVBQESA-N 295.343 0.786 0 50 CCAA O=C(Cn1nccc1[C@@H]1CCCNC1)N1CC=CC1 426641346 ITYFBDVBMLAPPV-GFCCVEGCSA-N 260.341 0.749 0 50 CCAA CCn1cnnc1CCNc1cc([C@H]2CCOC2)ncn1 426690721 RJJVEBXBZKMTPG-NSHDSACASA-N 288.355 1.247 0 50 CCAA COCCOCC(=O)NCc1nccn1C(C)C 223212939 AQQGAOYLEAGKFH-UHFFFAOYSA-N 255.318 0.743 0 50 CCAA CC(C)c1nc(CCNC(=O)[C@H](C)N(C)C)no1 426667501 ONGMRLACLDBNKM-VIFPVBQESA-N 254.334 0.802 0 50 CCAA COCCC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 426373620 NIRUNCIHPCIVDZ-VXGBXAGGSA-N 299.396 0.231 0 50 CCAA Cc1nc(O)c(C(=O)NCCc2nc(N)n[nH]2)c(C)c1C 426517832 LRRFZAAWTJXWMW-UHFFFAOYSA-N 290.327 0.385 0 50 CCAA CCc1nc([C@@H](C)NC(=O)Cc2n[nH]c(C)n2)n[nH]1 613124822 USVPZNQDHLIHNJ-ZCFIWIBFSA-N 263.305 0.214 0 50 CCAA CC(C)(C)N1C[C@H](CNC(=O)c2cncc(=O)[nH]2)CC1=O 426489768 QXVINHNJBNQVOG-VIFPVBQESA-N 292.339 0.147 0 50 CCAA CC(=O)N1C[C@H](C(C)C)[C@@H](NC(=O)c2ccnc(N)c2)C1 91551772 NWOHOLVZSAPAEK-OLZOCXBDSA-N 290.367 0.897 0 50 CCAA CCc1cnc(N)nc1NCCSc1ncn[nH]1 91997667 BZWROUWWCAUOQY-UHFFFAOYSA-N 265.346 0.944 0 50 CCAA Cc1ncc(C[n+]2csc(CCO)c2)c(N)n1 95630521 PSSRDBFJQOWGHA-UHFFFAOYSA-N 251.335 0.299 0 50 CCAA CCc1ncc(C(=O)N[C@H]2CCCCNC2=O)cn1 95375329 VWPGJCIVJGZWNC-JTQLQIEISA-N 262.313 0.438 0 50 CCAA Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)nc(C)n1 347666468 OGXLRYKWGGDUGD-ZDUSSCGKSA-N 298.346 0.920 0 50 CCAA CCN1C[C@H](NS(=O)(=O)c2ccccc2C)[C@@H](OC)C1 534586978 QYKIDCDMBOHPDQ-STQMWFEESA-N 298.408 0.992 0 50 CCAA NC[C@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)CCO1 534666254 BYVLTBHRUJXHHO-ZDUSSCGKSA-N 286.335 0.876 0 50 CCAA Cc1cnn([C@@H](C)CNC(=O)CCn2cncn2)c1 534642140 IGIHBBOCIYTLAB-NSHDSACASA-N 262.317 0.551 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)Nc1nnc2ccccn12 299053461 MBAWXCXBSMSCGX-SNVBAGLBSA-N 273.296 0.679 0 50 CCAA OCCCCCc1cn(CCN2CCOCC2)nn1 641033349 NTGXGIPWJWDTOJ-UHFFFAOYSA-N 268.361 0.315 0 50 CCAA COCCN(CC(=O)O)c1cc([C@H]2CCOC2)ncn1 299796919 OARPZWWQQYYKKW-JTQLQIEISA-N 281.312 0.518 0 50 CCAA OC1(CN2CCCC2)CCN([C@@H]2CCOC2)CC1 828605398 WTMRKQLXUXWMGL-CYBMUJFWSA-N 254.374 0.698 0 50 CCAA CCNC(=O)N1CCC(NC(=O)C[C@@H]2CCOC2)CC1 670469708 IHFPYUQUSPETDR-NSHDSACASA-N 283.372 0.723 0 50 CCAA CO[C@H]1CN(CCOc2ccc(F)cc2)C[C@@H]1O 670445399 BNFNYQJQAVWNEA-STQMWFEESA-N 255.289 0.896 0 50 CCAA Cc1ccsc1C(=O)N[C@H]1CCOC[C@@H]1OCCO 1565510332 IPDXDTDAQSGFRR-QWRGUYRKSA-N 285.365 0.953 0 50 CCAA C[C@@H]1C(=O)N(C[C@H](n2cncn2)C(F)(F)F)C(=O)N1C 630990559 DXAXZAGSFIAZBD-RQJHMYQMSA-N 291.233 0.664 0 50 CCAA CCCCc1cc(NC(=O)[C@H]2CC[C@H](C(N)=O)O2)[nH]n1 170607971 LWYGRZXMTBKEMQ-NXEZZACHSA-N 280.328 0.724 0 50 CCAA CN1CCC[C@H](CNC(=O)c2ccc3nncn3c2)C1 553009123 BKAWRDXCBLAWFZ-LLVKDONJSA-N 273.340 0.801 0 50 CCAA CCC1CCN(S(=O)(=O)NCc2ccnn2C)CC1 656872722 WTWKPPYIAHSAPY-UHFFFAOYSA-N 286.401 0.877 0 50 CCAA O=C([C@@H]1COc2ccccc21)N1CC[C@]2(CNCCO2)C1 1616040691 SYTPRSLRYJCLPM-CJNGLKHVSA-N 288.347 0.754 0 50 CCAA O=C(c1ccccn1)N1CCC(N2C[C@H](O)[C@@H](F)C2)CC1 1616123412 HVGMSIQNVQXASX-JSGCOSHPSA-N 293.342 0.701 0 50 CCAA O=C(N[C@@H]1COC2(CCNCC2)C1)c1cn[nH]c1 1857692016 KVZKUPJQUIZKCD-JTQLQIEISA-N 250.302 0.051 0 50 CCAA C[C@]1(C(=O)Nc2cc(C(=O)O)[nH]n2)CCCOC1 1589181045 BCJWPYMZPSNCKV-NSHDSACASA-N 253.258 0.863 0 50 CCAA CSCC(=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1529100695 WFFSFXNXJISWFW-NEPJUHHUSA-N 266.366 0.806 0 50 CCAA Cc1cnc(N2CCO[C@H](C(=O)O)C2)nc1N(C)C 1704313885 MUCOQMLQCSTZFS-VIFPVBQESA-N 266.301 0.141 0 50 CCAA O=C(O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1 1236678 IDPYDWSNMOJIBU-LVDDQXARSA-N 274.320 0.975 0 50 CCAA Cc1n[nH]c(C)c1CCC(=O)N(CCO)Cc1ncc[nH]1 1772708866 GCJHGCASFAVZHK-UHFFFAOYSA-N 291.355 0.703 0 50 CCAA CC(C)N1C[C@H](CN2CCO[C@@]3(CCNC3)C2)CCC1=O 1775982050 PMSCFQJHXTUPKV-GOEBONIOSA-N 295.427 0.698 0 50 CCAA O=C1CO[C@]2(CCN(C(=O)c3ncc(F)cc3F)C2)CN1 1772816706 SRCSUCVMMRBWNO-CYBMUJFWSA-N 297.261 0.091 0 50 CCAA COCCn1cncc1CN1CCC([C@@H](O)CO)CC1 1772706634 WMZCAYXUDNMAKI-AWEZNQCLSA-N 283.372 0.095 0 50 CCAA COC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 5422845 RPRPQUTULGSUPS-LBPRGKRZSA-N 288.303 0.939 0 50 CCAA Cc1cccc(CNC(=O)c2nnn3cc(C)[nH]c(=O)c23)c1 169776869 PMEZWOPNYIUFQV-UHFFFAOYSA-N 297.318 0.964 0 50 CCAA CC(C)n1nccc1C(=O)N[C@@H](C)Cn1cncn1 153342582 MMKXNALDYHCUMO-JTQLQIEISA-N 262.317 0.874 0 50 CCAA CN1C2(CCC2)COC[C@@]1(CO)CN[C@@H]1COC(C)(C)C1 527948655 JQFCAAJHNOHGDV-BBRMVZONSA-N 298.427 0.759 0 50 CCAA CC(C)c1nnc2c(=N[C@H]3CCC(=O)N[C@H]3C)[nH]ccn12 440557626 UZEQZJKPCGMWNV-UWVGGRQHSA-N 288.355 0.749 0 50 CCAA Nc1nccnc1C(=O)NC1(C(=O)O)CCCCC1 238057843 DFHWVIUQVMPJSD-UHFFFAOYSA-N 264.285 0.576 0 50 CCAA COCC[C@@]1(NC(=O)c2ncn(C(C)(C)C)n2)CCOC1 362213826 GYCZVQVFWPNMFN-CQSZACIVSA-N 296.371 0.959 0 50 CCAA Cc1n[nH]c(C)c1CN1C[C@H]2COC[C@@H](C1)C(=O)N2C 1704324593 AYEZRJOZXDNOHF-NEPJUHHUSA-N 278.356 0.316 0 50 CCAA Cc1cocc1C(=O)NC1CN([C@@H]2CCCN(C)C2=O)C1 1030799071 WWEKKCUKQUHJJA-CYBMUJFWSA-N 291.351 0.623 0 50 CCAA C=CC(=O)NCCNS(=O)(=O)c1cc(C)ccc1F 1259640898 OMKPPOFJHQYONU-UHFFFAOYSA-N 286.328 0.715 0 50 CCAA O=C1CCCN1CCNC(=O)C(F)(F)c1nccs1 846464795 QLOJPNCSGPFRSU-UHFFFAOYSA-N 289.307 0.974 0 50 CCAA Cc1cnn(C[C@H]2CN([C@H]3CCOC3=O)CCO2)c1 247112748 JAAPQWGEHYHRRC-NEPJUHHUSA-N 265.313 0.208 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1N1C(=O)N[C@@H](CC(F)F)C1=O 1875271222 GXDSRNAMZYKCEK-LYFYHCNISA-N 275.255 0.229 0 50 CCAA COc1nsc(OC)c1CNC(=O)/C=C/CN(C)C 1875376997 PKDONRPRDGCDMR-AATRIKPKSA-N 285.369 0.894 0 50 CCAA CN(Cc1nc(C(F)(F)F)no1)C(=O)C1OCCO1 1875311663 JHPOHNWKDPXALE-UHFFFAOYSA-N 281.190 0.420 0 50 CCAA O=C(NC[C@H]1CC[C@@H](c2nc[nH]n2)O1)c1ccncc1F 1775961784 ZVLWEHABJHEUPN-KCJUWKMLSA-N 291.286 0.989 0 50 CCAA C[C@@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)S(C)(=O)=O 159346441 WTHRQYXIHQYKQV-VIFPVBQESA-N 299.348 0.776 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)c2cccc(C)n2)C1 630251215 WPGRORCSWRAMGG-ZDUSSCGKSA-N 264.281 0.706 0 50 CCAA CNS(=O)(=O)C[C@@H]1CCCN1C[C@@H]1CC[C@H](C)O1 332662206 GFCHTADLKJJXKI-SRVKXCTJSA-N 276.402 0.568 0 50 CCAA COCc1ccccc1CNC(=O)[C@]1(C)CNC(=O)C1 376333054 DFILWSNFTDXNIB-HNNXBMFYSA-N 276.336 0.975 0 50 CCAA Cn1cnc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)c1 864146168 UWEWQCIVELMTQX-SNVBAGLBSA-N 281.312 0.277 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(Cc2ncn(-c3ccccc3)n2)C1 2325787175 GZMFXOICMKNHRZ-SNVBAGLBSA-N 286.291 0.700 0 50 CCAA COc1ccc(CC(=O)N2CCC(C(N)=O)CC2)cc1 376102 CFSIWJOXEAHICG-UHFFFAOYSA-N 276.336 0.962 0 50 CCAA CC1(C)OC[C@H]([C@@H](O)[C@H](O)[C@H]2COC(C)(C)O2)O1 4521410 ODYBCPSCYHAGHA-ZYUZMQFOSA-N 262.302 0.011 0 50 CCAA in-vitro Cc1ccc(CN2CCN(CCO)C[C@@H]2CCO)cc1 23375448 UODMAAHWJBJGTE-INIZCTEOSA-N 278.396 0.856 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)C1Cc2ccccc2C1 67909724 XTHZDVDBFOSNCR-KGLIPLIRSA-N 287.363 0.076 0 50 CCAA O=C(c1cnn2ncccc12)N1CCOC[C@H]1c1nc[nH]n1 329151514 SLCILKBNMHAZDA-NSHDSACASA-N 299.294 0.061 0 50 CCAA CCc1nnsc1C(=O)N1CCC[C@@H]1CNC 122580150 GPTWPFLVPZHFQX-MRVPVSSYSA-N 254.359 0.925 0 50 CCAA O=C(c1ccc2oc(=O)[nH]c2c1)N1CCC[C@H](O)C1 259138581 VKDMIJJDNHAYML-VIFPVBQESA-N 262.265 0.718 0 50 CCAA CS(=O)(=O)N1CCC[C@H](Cc2nnc3ccccn23)C1 368764081 FEHPIQQXPAMPSE-LLVKDONJSA-N 294.380 0.943 0 50 CCAA CO[C@H](C)CS(=O)(=O)N1CC[C@]2(CCNC2)C1 261994101 FHNQWVHKYYQWGR-MNOVXSKESA-N 262.375 0.037 0 50 CCAA NCC(=O)N1CCC[C@@H](CN2CCO[C@H](C3CCC3)C2)C1 333133209 IDUDIIRNGVHKCZ-ZFWWWQNUSA-N 295.427 0.685 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)/C=C/CN(C)C)[C@@]12CCCO2 371892924 BQVWVUFFUXJOPQ-PNAFRVTLSA-N 282.384 0.947 0 50 CCAA Cc1ncc2c(c1CNC(=O)[C@H]1COCCO1)CCNC2 72476541 ZUSICYPNPCTCKC-CQSZACIVSA-N 291.351 0.067 0 50 CCAA CCOc1ncccc1C(=O)N1CC[C@H](O)[C@@H](O)C1 72152813 CXNOLPRKOCSCCI-QWRGUYRKSA-N 266.297 0.048 0 50 CCAA CCSCCCNC(=O)N[C@@H]1CC[S@](=O)C1 241774104 RNBVWLMSOSVNOL-ABKXIKBNSA-N 264.416 0.950 0 50 CCAA CCSCC[C@@H](C)N(C)Cc1nc(N)nc(N)n1 174026733 JHPFGBSVGGQGDI-MRVPVSSYSA-N 270.406 1.000 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCSCC2)cn1C 426537403 DFFMBMMHHIPUPK-UHFFFAOYSA-N 252.339 0.883 0 50 CCAA O=C(Cn1cccnc1=O)NCCSc1ccccn1 97742804 AKPHFPUUSYQKKI-UHFFFAOYSA-N 290.348 0.547 0 50 CCAA CN1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O 91604759 OCXRPROSNVXOPZ-UHFFFAOYSA-N 284.385 0.148 0 50 CCAA CN(CCc1ccccn1)C(=O)c1ccc2nnnn2c1 97743571 GXUCGJWNLADSAU-UHFFFAOYSA-N 282.307 0.834 0 50 CCAA CN(C)[C@H](C(=O)NCC(=O)NC1CC1)c1ccc(F)cc1 95370416 VFQHQZDUGZJOQD-AWEZNQCLSA-N 293.342 0.823 0 50 CCAA CC(C)n1cc(C(=O)NCC[C@H](O)C(=O)O)cn1 95500740 DHZYEHRSNWWVGA-VIFPVBQESA-N 255.274 0.029 0 50 CCAA CC[C@H](NC(=O)Cn1cccnc1=O)c1nccs1 348921447 MORCYWDJRCGOFD-VIFPVBQESA-N 278.337 0.967 0 50 CCAA COc1cc2c(cc1CNC(=O)[C@H]1C=CCN1)OCCO2 534659545 PGQYPXXEGCMSEI-LLVKDONJSA-N 290.319 0.611 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)CN1CCOC1=O 534639399 APCRGKVWAUVZGC-SECBINFHSA-N 281.316 0.318 0 50 CCAA O=C([C@@H]1C[C@@H](F)CN1CCn1ccnc1)N1CCOCC1 299746495 XSXBLVXIDBGZKB-OLZOCXBDSA-N 296.346 0.154 0 50 CCAA COC(=O)c1cc(O)cc(C(=O)N2CCC[C@@H](N)C2)c1 534632428 JOGKFCXTBWNPSQ-LLVKDONJSA-N 278.308 0.742 0 50 CCAA O=C(NC1CC1)[C@@H](O)C1CCN(c2ncc(F)cn2)CC1 299745869 SZZHCGUAWFCPIR-LBPRGKRZSA-N 294.330 0.472 0 50 CCAA CCOc1ccc2c(c1)C[C@H](C(=O)NCC(=O)O)CO2 299751196 PWGSOPZYYMXWEI-JTQLQIEISA-N 279.292 0.837 0 50 CCAA CC(C)[C@@H](NC(=O)c1cnc(N)s1)c1ncnn1C 534581061 GMZYZOLVVBWBDH-MRVPVSSYSA-N 280.357 0.981 0 50 CCAA O=C(NCc1noc(Cc2cccs2)n1)[C@H]1C=CCN1 534589477 NMLMEOZZGOFNTI-SNVBAGLBSA-N 290.348 0.866 0 50 CCAA Cc1nc(CCN(C)C(=O)[C@@H](C)n2cccn2)no1 286281508 TYCSMAACWDCAFS-SECBINFHSA-N 263.301 0.837 0 50 CCAA COC[C@H](NC(=O)Nc1cnns1)c1ccnn1C 299763133 PBQZIVMWRUXCRL-ZETCQYMHSA-N 282.329 0.781 0 50 CCAA CC(=O)N[C@@H]1CC[C@H](C(=O)N(C)C(C)C)C[C@H]1O 1940195040 JMNMDQIUQHRHBB-QJPTWQEYSA-N 256.346 0.519 0 50 CCAA Fc1cnc(N2CC[C@@H]3OCc4cnnn4[C@H]3C2)nc1 299797991 UGLGBJLDHQCJSX-QWRGUYRKSA-N 276.275 0.557 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C/C=C/c1ccccc1 299795025 KENQSLPSFXCXDP-NSDHSQQOSA-N 259.353 0.847 0 50 CCAA O=C(NCc1nnc2n1CCC2)c1n[nH]c2c1CCC2 298571055 GAFCSOKZZUKXCH-UHFFFAOYSA-N 272.312 0.366 0 50 CCAA COc1ccc(NC(=O)NC[C@@]2(O)CCNC2)c(OC)c1 299792254 DVMZFAIJTLZDHF-CQSZACIVSA-N 295.339 0.550 0 50 CCAA CN(Cc1ccc2c(c1)OCO2)C(=O)CCn1cnnn1 584887909 RWFQMXPLPPKVKY-UHFFFAOYSA-N 289.295 0.451 0 50 CCAA CN(CCn1cnnc1)C[C@H]1CCN(C)C1(C)C 823690241 SLYMKLAEOQHLQI-GFCCVEGCSA-N 251.378 0.940 0 50 CCAA Cn1ncnc1CCNC(=O)c1ccncc1Cl 584898443 OAKLCHJGKCRZPC-UHFFFAOYSA-N 265.704 0.836 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC[C@H](CN2CCCC2=O)C1 1335315048 PJKMYVIDABYPIG-GFCCVEGCSA-N 293.367 0.102 0 50 CCAA CCc1nc(C)sc1CN1CC[C@H](N)[C@@H](O)C1 1565511605 XBUWZZDVEWUSGU-ONGXEEELSA-N 255.387 0.908 0 50 CCAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)C(=O)c1ccccc1)C2 75909960 RQEZSYFJCMLOSF-OLZOCXBDSA-N 286.331 0.949 0 50 CCAA CS(=O)(=O)C1(C(=O)N2CCN(CC3CC3)CC2)CC1 408286590 NJSWFJWXOOJWKP-UHFFFAOYSA-N 286.397 0.118 0 50 CCAA Cc1cccc(OCCNC(=O)Cn2c(=O)ccn2C)c1 408525356 YAGCVAXLHSTNOT-UHFFFAOYSA-N 289.335 0.690 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(C(N)=O)n(C)c1 276723730 DMTQDTGHMSXPCI-SCZZXKLOSA-N 265.313 0.878 0 50 CCAA CC(=O)N1CCC[C@@H](C(=O)Nc2cnns2)C1 170607736 XOXJKEGIQMJDDB-MRVPVSSYSA-N 254.315 0.735 0 50 CCAA NC(=O)[C@]1(O)CCN(C(=O)NCC2(C3CC3)CCC2)C1 1615056995 ORFBFJLUVIEYQG-AWEZNQCLSA-N 281.356 0.198 0 50 CCAA O=C([C@@H]1CCc2nccn2C1)N1CC2(CCOC2)C1 1615566440 YKEDPSANEKNAAY-LLVKDONJSA-N 261.325 0.694 0 50 CCAA NC(=O)NC(=O)CN1CCN(c2cc(Cl)ccn2)CC1 1363832470 GTBCOXSZDMLCPW-UHFFFAOYSA-N 297.746 0.052 0 50 CCAA Cc1[nH]c(=N)[nH]c1C(=O)NC[C@@H]1C[C@@H]2CC[C@H]1O2 1857684270 GHZIHSHHWREPBW-XHNCKOQMSA-N 250.302 0.428 0 50 CCAA CC[C@@H]1C(=O)N(CC)CCN1C(=O)CCn1cncn1 331185795 SWPOXGBYEXDWGO-LLVKDONJSA-N 279.344 0.138 0 50 CCAA C=CC(=O)N1CC(C(=O)NCCCc2cnccn2)C1 1875387213 UNKUVHOOUQLFHT-UHFFFAOYSA-N 274.324 0.170 0 50 CCAA CCc1nc(N)nc(N[C@H](C(=O)O)[C@@H](C)O)c1C 1772706050 PRAXOBLGOBWBQP-SVRRBLITSA-N 254.290 0.176 0 50 CCAA Cc1nsnc1C(=O)N1CCC[C@@H]1C1(O)CC1 1772814058 HKSDJMYBAJAJII-MRVPVSSYSA-N 253.327 0.976 0 50 CCAA CN1CCN(C[C@]2(O)CCCN(CC3CCC3)C2=O)CC1 19795031 AVZYDAOIWKKFHP-MRXNPFEDSA-N 295.427 0.387 0 50 CCAA COC(=O)c1cc(N)cc(B(O)OC(C)(C)C(C)(C)O)c1 169746028 ULMCVVCYROQAFH-UHFFFAOYSA-N 295.144 0.309 0 50 CCAA Cc1ccc2nc[nH]c(=NC[C@H]3Cc4nnc(C)n4C3)c2n1 1857707952 BEFSODSYYXGRIJ-LLVKDONJSA-N 295.350 0.939 0 50 CCAA Cc1cnc(C)c(N2CCC[C@@H](N3CCNCC3=O)C2)n1 333919971 PPJBWTXVDGDLDN-CYBMUJFWSA-N 289.383 0.494 0 50 CCAA C[C@@H]1OCC[C@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 331916169 LHLVKXYKZOIEGX-WCBMZHEXSA-N 281.312 0.906 0 50 CCAA Cc1cncc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)c1 1875247396 LIAYOGDXPFNQAS-OLZOCXBDSA-N 289.335 0.319 0 50 CCAA C[C@](N)(C(=O)N1CCC[C@@H](Cn2cncn2)C1)C1CC1 237374348 YGQJRGWGHLNNIK-BXUZGUMPSA-N 277.372 0.644 0 50 CCAA C[C@H]1[C@@H](CO)CCCN1c1cc(N2CCOCC2)ncn1 665753602 PQHRMRRJTLWGDS-QWHCGFSZSA-N 292.383 0.910 0 50 CCAA O=C(NC[C@@H]1C[C@H](O)CCO1)Nc1nccs1 1875282790 SECCVDQEWPLVAV-SFYZADRCSA-N 257.315 0.805 0 50 CCAA NC(=O)CN(CC(=O)NCC1CC1)c1ccc(F)cc1 1875274980 JLPWGOCAJBKHSO-UHFFFAOYSA-N 279.315 0.644 0 50 CCAA O=C1COc2ccc(C(=O)N[C@@H]3C[C@@H]3F)cc2N1 1875297062 BCAZBCBSSPCBAZ-JGVFFNPUSA-N 250.229 0.858 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H](C(N)=O)c1ccccc1F 1875375349 AOSRDKOODNGTNS-OQHXTRMZSA-N 279.315 0.586 0 50 CCAA CCn1nc(C)c(CSc2nnc(CCO)n2C)n1 1875345164 URYZPHNMBZBCBU-UHFFFAOYSA-N 282.373 0.562 0 50 CCAA CN1C(=O)C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1c1cccnc1 886031155 ZKRNNYXUAWOPKQ-RISCZKNCSA-N 291.351 0.631 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1COc2ccccc2C1 261843300 AQEVZLSXHNZWNN-OSMZGAPFSA-N 276.336 0.483 0 50 CCAA COC[C@H](O)CN1CC[C@@H](Oc2ccccn2)C1 268674910 KYHZZGTXRJQWSI-VXGBXAGGSA-N 252.314 0.542 0 50 CCAA Cc1nn(C)c(C(=O)NCCc2cnn[nH]2)c1Cl 426544404 OVKBIYUQPVCEPX-UHFFFAOYSA-N 268.708 0.473 0 50 CCAA CN(C)c1ccc(C(=O)NCc2csc(N)n2)cn1 584903138 ZWSRUBGILIDWDN-UHFFFAOYSA-N 277.353 1.116 0 50 CCAA O=C(OCc1ccccc1)N1C[C@H](O)C[C@@H]1CO 404090 WDEQGLDWZMIMJM-VXGBXAGGSA-N 251.282 0.751 0 50 CCAA O=C(Nc1ccccn1)N[C@@H]1CCS(=O)(=O)C1 3865842 DSBNLODKIMNNJR-MRVPVSSYSA-N 255.299 0.390 0 50 CCAA CCc1cnc(N)nc1N1C[C@H]2[C@H](CN(C)C)[C@H]2C1 101951912 JJAMVGQBBYTCHG-CNDDSTCGSA-N 261.373 0.865 0 50 CCAA CCCN(C)S(=O)(=O)NC(=O)c1ccnc(C)c1 225743354 LCHWZMWSRYUJQQ-UHFFFAOYSA-N 271.342 0.706 0 50 CCAA O=C(CCCn1cccn1)N[C@H]1CCCNC1=O 51470100 GTEXBXYQTQAJBX-JTQLQIEISA-N 250.302 0.058 0 50 CCAA O[C@@]1(CNc2ccc3nnnn3n2)CCc2ccccc21 133735059 KVDAHBPPFSWCKV-CQSZACIVSA-N 282.307 0.765 0 50 CCAA COC(=O)C1=C(C(=O)OC)[C@@]2(C)C=C(C)[C@H]1[C@@H](C)C(=O)N2 101036006 SGHYDAIDDABXKS-CEFVDNRUSA-N 293.319 0.730 0 50 CCAA CCOc1cc(NCC2(C(N)=O)CCOCC2)ncn1 136045416 ZXPRJWBGLFDTSB-UHFFFAOYSA-N 280.328 0.569 0 50 CCAA Cc1cc(C(=O)NC[C@]2(O)CCO[C@@H]2C)ccn1 228689392 JMULSNVAQOKPSY-ZWNOBZJWSA-N 250.298 0.660 0 50 CCAA CCN1C[C@H](CN(C)C(=O)C(=O)c2cccnc2)CC1=O 219835850 WYCLGUZLCNTYMZ-NSHDSACASA-N 289.335 0.591 0 50 CCAA COC(=O)[C@H]1CC12CCN(CCN1CCO[C@@H](C)C1)CC2 253396814 HJNVXLDARLTBCP-UONOGXRCSA-N 296.411 0.982 0 50 CCAA CCN1CN(C(=O)[C@H]2CCN2Cc2ccccc2)CC1=O 365278898 WXCICSCLVSDZKK-CQSZACIVSA-N 287.363 0.909 0 50 CCAA N[C@H]1CCCN(C(=O)c2cccc(-n3cccn3)n2)C1 158151840 QIHYWVWQMDVPAW-NSHDSACASA-N 271.324 0.831 0 50 CCAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOC1CCCC1 369084693 NNQFVZYIRFVNMY-DGCLKSJQSA-N 284.356 0.044 0 50 CCAA CN1CC[C@@H](NC(=O)c2ccncc2Cl)C1=O 73113057 VBEIGTDALWOLTF-SECBINFHSA-N 253.689 0.696 0 50 CCAA O=C1CCC(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)=NN1 369844364 CCGKRZSETPCFPH-NWDGAFQWSA-N 293.367 0.918 0 50 CCAA O=C([C@@H]1CCC(O)=N1)N1CCO[C@H](COCC2CC2)C1 330131723 LBDDHBDRIGAJFH-RYUDHWBXSA-N 282.340 0.759 0 50 CCAA O=C1NC2(CCNCC2)C(=O)N1Cc1nccs1 77440963 MNTYWQGSEYPLOC-UHFFFAOYSA-N 266.326 0.317 0 50 CCAA Cn1ccnc1[C@H](NC(=O)c1ccn2nnnc2c1)C1CC1 71681246 USNDAGYMRXXBTF-GFCCVEGCSA-N 297.322 0.739 0 50 CCAA CC[C@H]1C(=O)NCCN1Cc1ncnn1C(C)C 280036887 NTHIZPLILYWJDO-JTQLQIEISA-N 251.334 0.569 0 50 CCAA CC(=O)N[C@@H](C(=O)NCCn1cc(Cl)cn1)C(C)C 223338262 PDAKLQXTMIEUIF-LLVKDONJSA-N 286.763 0.813 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)N1CC(=O)N(C2CC2)C1 335790619 PEZCXESEHUVPNN-GXSJLCMTSA-N 252.314 0.592 0 50 CCAA CCc1cc(N2CC[C@@](O)(c3c[nH]nn3)C2)nc(C)n1 284495719 KCYUGXIUKUDMHQ-ZDUSSCGKSA-N 274.328 0.563 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccnn2C)N(C)C1 284625392 CEGOZGJHBSHQBN-QWRGUYRKSA-N 266.345 0.211 0 50 CCAA CC(=O)NCCC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 220682380 LWDMSAOGXBSCCE-ZIAGYGMSSA-N 298.383 0.603 0 50 CCAA C[C@]1(C(=O)NCc2nc(-c3ncccn3)no2)CCCO1 426431820 KKQBUVXGYUPZPS-CYBMUJFWSA-N 289.295 0.712 0 50 CCAA CC[C@@H](NC(=O)CN(C)C(N)=O)c1cccc(C)n1 426443398 OVKGVKJOPPRXMI-SNVBAGLBSA-N 264.329 0.968 0 50 CCAA O=C(CN1CCCCC1=O)N[C@@H]1CCc2c[nH]nc2C1 334631380 RGFZCGKEZBURCE-LLVKDONJSA-N 276.340 0.396 0 50 CCAA C/C=C/CN1CCN(Cc2nncn2C(C)C)C[C@H](O)C1 97475387 CFPJMWIWZLIWAO-ISZGNANSSA-N 293.415 0.914 0 50 CCAA Cn1cnc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 178239326 LGDKNBGTGDBVSK-SSDOTTSWSA-N 290.245 0.313 0 50 CCAA Cc1ccc2nc(C(=O)N3CC[C@H]3C(=O)O)cn2c1 95497606 JEOMOASUDWSJOT-JTQLQIEISA-N 259.265 0.942 0 50 CCAA Cc1ccc2nc(C(=O)NCC[C@H](O)C(=O)O)cn2c1 95530155 XJYOPLGMMSKWAN-JTQLQIEISA-N 277.280 0.208 0 50 CCAA C[C@H]1CN(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CC[C@H]1C(=O)O 626764322 HVLLWXUMHNLSJR-UKKRHICBSA-N 297.355 0.393 0 50 CCAA O=C(c1nc2ncccc2[nH]1)N1C[C@@H]2CC[C@H]1CNC2 534632915 TUXIUCZDFOJFER-ZJUUUORDSA-N 271.324 0.782 0 50 CCAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CCS(C)(=O)=O 827992372 MHWDCANWSSZZPZ-MRVPVSSYSA-N 287.385 0.649 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)Cc1sc(N)nc1C 584885571 WVLRYJZMUTZMMO-UHFFFAOYSA-N 298.412 0.997 0 50 CCAA Cc1cnc(CN2CCOC[C@@H](CN(C)C)C2)[nH]1 584891210 GLXNAKCSEQRHMT-LBPRGKRZSA-N 252.362 0.728 0 50 CCAA COCCOC1CCN(C(=O)CN2CCN(C)C2=O)CC1 584897221 YFQFHPLOSCDSRI-UHFFFAOYSA-N 299.371 0.008 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)c1cncnc1 584900198 ABRVHLSKMVXZGJ-UHFFFAOYSA-N 250.302 0.511 0 50 CCAA CNC(=O)N[C@H]1CCCN(C(=O)C(C)(C)COC)C1 1413551274 FQYSZYCYOXKXOS-JTQLQIEISA-N 271.361 0.579 0 50 CCAA C[C@]1(CNC(=O)/C=C/c2cnc(N)nc2)CCCO1 952978433 QIHLIYCSTRPCSJ-ITDFMYJTSA-N 262.313 0.757 0 50 CCAA C[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)c1nncn1C 407971084 GJNFOWUQKXWZIL-ZJUUUORDSA-N 288.373 0.365 0 50 CCAA O=C(COC[C@H]1CCCO1)NC[C@H]1CCn2ccnc2C1 583615063 ULPSZOYLBZYMKB-QWHCGFSZSA-N 293.367 0.757 0 50 CCAA NC(=O)[C@]1(O)CCCN(c2ncnc3ccc(F)cc23)C1 583617712 IDVIDSSUEKSVOJ-AWEZNQCLSA-N 290.298 0.586 0 50 CCAA Cn1nc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)ccc1=O 188705726 ZJNRXBRZQZPGSQ-MFKMUULPSA-N 293.367 0.961 0 50 CCAA CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)c2cccn2C)n1 585131303 RIDDKGUQFDDASQ-MRVPVSSYSA-N 291.311 0.811 0 50 CCAA CC(C)=CCCNC(=O)CN1CCCC[C@H](O)C1=O 644449419 NZAFFEDXEQYBBF-LBPRGKRZSA-N 268.357 0.832 0 50 CCAA O=C(O)[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)CC1CC1 568246392 MSNDFORUVXWBAE-UWVGGRQHSA-N 289.353 0.181 0 50 CCAA CC(C)(C)c1nc(N2CC[C@](O)(Cn3ccnn3)C2)no1 671466723 PPFIYCDOHHQHHI-CYBMUJFWSA-N 292.343 0.600 0 50 CCAA COCCOCCN1CCCN(C(=O)C2(C)CC2)CC1 1195906979 IDJPTKQBUDSOIL-UHFFFAOYSA-N 284.400 0.984 0 50 CCAA CC(C)c1cc(C(=O)N2CCOC[C@H](C(=O)O)C2)no1 1800414517 RLARJBKAIXXSND-SECBINFHSA-N 282.296 0.971 0 50 CCAA Cn1nc2c(c1NC(=O)CCS(C)(=O)=O)CCC2 331445452 STPCZHILKJOJKF-UHFFFAOYSA-N 271.342 0.282 0 50 CCAA CC[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](C)S(=O)(=O)CC1 248750479 GHFFEBBLEQWIIL-TUAOUCFPSA-N 290.429 0.799 0 50 CCAA CC1(C)OC[C@H]([C@H]2O[C@@H](O)[C@@H]3OC(C)(C)O[C@H]32)O1 17285373 JWWCLCNPTZHVLF-HOTMZDKISA-N 260.286 0.375 0 50 CCAA in-vitro COC[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 264906994 DDRWIULXRSKJQT-JTQLQIEISA-N 273.358 0.467 0 50 CCAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NC1CC1 12571543 KGCNCASQONABGF-LBPRGKRZSA-N 267.373 0.502 0 50 CCAA CN(CC(=O)Nc1ccon1)S(=O)(=O)c1ccccc1 16606652 WVDNKGVUZJTGON-UHFFFAOYSA-N 295.320 0.934 0 50 CCAA O=C1N[C@H](CC(=O)N2CCCC2)C(=O)Nc2ccccc21 206257117 ZKQBASUJBPOWPU-GFCCVEGCSA-N 287.319 0.750 0 50 CCAA c1cnc2c(-c3nccn3CCCc3nn[nH]n3)cnn2c1 1857683291 UHSKDUWORKTORI-UHFFFAOYSA-N 295.310 0.739 0 50 CCAA COC(=O)[C@@H](c1ccccc1)N1CC2(CNC(=O)N2C)C1 1857687330 SGGSZQNMFHGOBE-GFCCVEGCSA-N 289.335 0.610 0 50 CCAA Cc1nn(C)cc1C(=O)N[C@@H]1CCCOC12CCNCC2 1857693183 MAWIHNVRUIJVGT-CYBMUJFWSA-N 292.383 0.760 0 50 CCAA OC[C@H]1C[C@@H]2OCCN(CCCn3ccnc3)[C@H]2C1 1875247326 ZWRQFBXJVSFDEJ-RDBSUJKOSA-N 265.357 0.745 0 50 CCAA NC(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1 21982228 KZEBEQIWVUMFSB-LBPRGKRZSA-N 279.340 0.896 0 50 CCAA in-vitro O=C(c1ccccc1Cn1cncn1)N1C[C@H](O)C2(CC2)C1 375297796 OWCAEBFACAHYAK-AWEZNQCLSA-N 298.346 0.923 0 50 CCAA CC[C@H]1C(=O)NCCCN1Cc1nc(C(C)(C)N)no1 903883119 SMKKLYDSSZEJRZ-VIFPVBQESA-N 281.360 0.364 0 50 CCAA C[C@@H]1CN(C(=O)NCc2cnn(C)n2)C[C@H](C2CC2)O1 805996469 LPDIWWVSMMBKFK-BXKDBHETSA-N 279.344 0.524 0 50 CCAA C=CC(=O)NCCNC(=O)[C@@H]1C[C@H]1OC(C)(C)C 826952432 KWZJWDZOLBTCBN-NXEZZACHSA-N 254.330 0.608 0 50 CCAA Cc1nc(N2CCN(C[C@@H]3CCc4ncnn43)CC2)n[nH]1 931628415 BPCXHGSUJOMVGV-NSHDSACASA-N 288.359 0.014 0 50 CCAA COC(=O)/C=C/CNC(=O)c1nc(C)ncc1Cl 1875273305 NVJBWAQEBYYHJP-ONEGZZNKSA-N 269.688 0.897 0 50 CCAA Cc1noc(C2CN(C(=O)Cc3cnc(C)[nH]3)C2)n1 1875327317 VCFMEBWVQHJJIZ-UHFFFAOYSA-N 261.285 0.578 0 50 CCAA CN(C(=O)Nc1ccnc(S(N)(=O)=O)c1)C1CCC1 1875339533 NTEAVKGGSMGSNC-UHFFFAOYSA-N 284.341 0.745 0 50 CCAA CN1CCN(C(=O)c2cccc3oncc23)CC1=O 1875340157 OHHWXNKEVKOYBV-UHFFFAOYSA-N 259.265 0.742 0 50 CCAA O=C1CC[C@H](CC(=O)N2CCc3ncccc32)CN1 888142240 RESDVPZMUOZCJT-SNVBAGLBSA-N 259.309 0.887 0 50 CCAA Cn1ncc2c(N3CC(C)(N4CCOCC4)C3)ncnc21 1775992365 YXEYKEBZLBOMNU-UHFFFAOYSA-N 288.355 0.274 0 50 CCAA COCCn1cc(C(=O)N[C@H]2C[C@@H](N)C23CCC3)cn1 1775961214 HMYQTECEPSJVMH-NEPJUHHUSA-N 278.356 0.529 0 50 CCAA c1ncc(-c2cn(CCO[C@@H]3CCOC3)nn2)cn1 899736306 ZVHJDOOKOKVWOM-LLVKDONJSA-N 261.285 0.541 0 50 CCAA NCCc1ccc(C(=O)NCCc2ncc[nH]2)cc1 139598648 HKJXXGKEGVPLBM-UHFFFAOYSA-N 258.325 0.883 0 50 CCAA O=C(NC[C@@H]1CNCCO1)c1ccc2nccn2c1 564956690 UQEPMKFZZDKWPB-NSHDSACASA-N 260.297 0.053 0 50 CCAA C[C@H]1CC[C@@H](C)CN1S(=O)(=O)C[C@H]1CNCCO1 310943261 LTMVHFAIPLADHJ-GRYCIOLGSA-N 276.402 0.425 0 50 CCAA CNC(=O)[C@H]1CCN(CC(=O)NC2CCCCCC2)C1 331590523 SNQIDAMWTQKLCH-LBPRGKRZSA-N 281.400 0.893 0 50 CCAA CCCS(=O)(=O)N1CC[C@H](N2CCN(C)CC2)C1 822989320 INRNCQVUVSFIDH-LBPRGKRZSA-N 275.418 0.048 0 50 CCAA CCc1nnc(CN2CCNC(=O)CC2(C)C)n1C 931204073 YFQSRDKWGORJPU-UHFFFAOYSA-N 265.361 0.478 0 50 CCAA CCOC(=O)N1CCC(N2CCC[C@H](C(N)=O)C2)CC1 757869 YWHXSBFFNPLELV-NSHDSACASA-N 283.372 0.805 0 50 CCAA NCCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)O 4556746 QCZYYEFXOBKCNQ-QWHCGFSZSA-N 293.367 0.255 0 50 CCAA endogenous,in-man COCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 6169800 FMFIQJHGRZYNTJ-UHFFFAOYSA-N 298.364 0.385 0 50 CCAA CC(=O)N(C)[C@H]1CCN(c2cc(CCN)nc(C)n2)C1 67692368 DOWPQXSSHOSBAP-ZDUSSCGKSA-N 277.372 0.343 0 50 CCAA O=C1CCC(C(=O)NCc2nnc(-c3ccccc3)o2)=NN1 67713686 CYRFHRKPCWHHHG-UHFFFAOYSA-N 299.290 0.619 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(Cc2nnc3n2CCCCC3)C1 65464436 BAMZRSPVSHHGOC-SECBINFHSA-N 278.312 0.438 0 50 CCAA O=C(N[C@@H]1CCNC[C@H]1O)OCc1ccccc1 110915970 QAECDNDIJKFMPR-VXGBXAGGSA-N 250.298 0.636 0 50 CCAA c1cncc([C@H](Cn2cnnc2)N2CCOCC2)c1 65406824 MHSXJFJTBCVNBK-ZDUSSCGKSA-N 259.313 0.747 0 50 CCAA COCc1nc(CNC(=O)c2cnc(C)cn2)no1 219288809 PCTZXUGJCXIHIB-UHFFFAOYSA-N 263.257 0.244 0 50 CCAA CCc1nccn1CC(=O)N1CCC[C@](O)(CN(C)C)C1 72133575 WFRMLMACDZLWRR-HNNXBMFYSA-N 294.399 0.361 0 50 CCAA COc1cc(C)nc(CN2CCC[C@H](S(N)(=O)=O)C2)c1 355726820 BOOQUQGOEVLDEY-ZDUSSCGKSA-N 299.396 0.652 0 50 CCAA O=C([C@H]1CCCCO1)N1Cc2cnn(CCO)c2C1 216021166 ULKPNZULFRGROK-GFCCVEGCSA-N 265.313 0.287 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CCCn2nnnc21 329647081 BFSHZFMHNWNKHH-UHFFFAOYSA-N 261.289 0.074 0 50 CCAA C[C@H]1OCC[C@@]12CN(C(=O)c1coc(C(N)=O)c1)CCO2 279963039 KOOQICNJKICYDR-YMTOWFKASA-N 294.307 0.399 0 50 CCAA O=C(O)[C@H](c1ccccc1)N1C(=O)c2nccnc2C1=O 72323989 IHUIHFKBCYOUMW-NSHDSACASA-N 283.243 0.899 0 50 CCAA C[C@@H](Cc1cnccn1)NC(=O)CCCn1cncn1 219156806 RTOWQBFDDQADAV-NSHDSACASA-N 274.328 0.596 0 50 CCAA COC[C@@H](O)CN1CCN(c2ccccc2OC)CC1 31637337 DNURDYLUCLMRHU-ZDUSSCGKSA-N 280.368 0.825 0 50 CCAA O=C(N[C@@H]1CC[S@](=O)C1)N[C@@H]1CCO[C@@H]1C1CC1 332757274 QDGONMBKCBSZSK-AHHJTMGVSA-N 272.370 0.374 0 50 CCAA CCc1[nH][nH]c(=NC(=O)c2c[nH]cc(C)c2=O)c1C 334031995 AVJXGDYTEJFIQP-UHFFFAOYSA-N 260.297 0.951 0 50 CCAA Cn1ncc(Cn2nccc2C(N)=O)c1C(F)(F)F 337941891 LWSURIGQIDZHDG-UHFFFAOYSA-N 273.218 0.783 0 50 CCAA CC1(C)CN(CCNC(=O)c2cccc(O)n2)CCO1 282450824 JFZQJNLDFMINQX-UHFFFAOYSA-N 279.340 0.628 0 50 CCAA COC[C@H](NS(=O)(=O)c1c(C)cnn1C)c1ccco1 286156431 XTDBBNLSUYDJSI-JTQLQIEISA-N 299.352 0.988 0 50 CCAA CC[C@@H](NC(=O)c1cnc(N)nc1C)[C@H]1C[C@@H](O)C1 220009239 BPTIUOOCTVLDFX-FXPVBKGRSA-N 264.329 0.647 0 50 CCAA CN(C)CC(C)(C)CN=c1cc([C@H]2CCOC2)nc(N)[nH]1 426394549 HZGWPRHMBVNUAC-NSHDSACASA-N 293.415 0.984 0 50 CCAA Cn1c(C(=O)N[C@@H]2CNC[C@H]2O)cc2c(Cl)cccc21 426677737 ARYKJYLJGHNVJL-ZWNOBZJWSA-N 293.754 0.894 0 50 CCAA Cn1ccc(C(=O)N2CCOCC(F)(F)C2)cc1=O 288941769 NSLXVNOQGVKRKV-UHFFFAOYSA-N 272.251 0.493 0 50 CCAA Cc1cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3C)nc(N)n1 91650962 QKBHBWKCDCFFCB-ZJUUUORDSA-N 261.329 0.424 0 50 CCAA COCCC[C@@]1(C(=O)O)CCCN(CC(=O)O)C1 91818877 ZJACFFVVOJYGFK-LBPRGKRZSA-N 259.302 0.664 0 50 CCAA CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)n1 293665928 LUQVUDIZIVEUDM-TZMCWYRMSA-N 294.399 0.991 0 50 CCAA Cc1nn(CC(=O)N[C@H]2CCNC2=O)c(C)c1Cl 534662715 MZRCRDGGWVNHMK-QMMMGPOBSA-N 270.720 0.158 0 50 CCAA CN1C(=O)N(Cc2cccnc2)C(=O)C12CCNCC2 299782994 JPHVDHFMBNJPBR-UHFFFAOYSA-N 274.324 0.598 0 50 CCAA Cc1n[nH]nc1C(=O)N1CCC(C)(C(=O)O)CC1 299772304 XVBWBMPCPNZPPY-UHFFFAOYSA-N 252.274 0.440 0 50 CCAA Cc1cc(C)n(C[C@H](C)NC(=O)CCn2nnnc2C)n1 299765730 CHPIFBOIBIMZBS-JTQLQIEISA-N 291.359 0.390 0 50 CCAA CCCN1C=C(S(C)(=O)=O)C2=NCCCN2C1=O 823026260 CYLSZZQZVXWVOZ-UHFFFAOYSA-N 271.342 0.822 0 50 CCAA Cc1cccn2c(CC(=O)N[C@H](C)c3nc(N)n[nH]3)cnc12 584887813 RBTHUFBVEMPEFB-SECBINFHSA-N 299.338 0.763 0 50 CCAA O=C(C1CC1)N1CCC(Nc2cc(O)ncn2)CC1 584898924 CPKSCXLQYSTDIN-UHFFFAOYSA-N 262.313 0.995 0 50 CCAA CC1(C)C[C@H](C(=O)NCCc2nc(N)cc(O)n2)CCO1 584895376 RZEJREVWCGOCQU-SECBINFHSA-N 294.355 0.628 0 50 CCAA Cc1cccn2cc(C(=O)NCc3nc(O)n[nH]3)nc12 670471230 YPVUUOKXVJPKGJ-UHFFFAOYSA-N 272.268 0.396 0 50 CCAA COc1cc(NC(=O)[C@@H]2CCOC2)cc(-n2cnnn2)c1 952991168 ZBJGMZUSMGVHOF-SECBINFHSA-N 289.295 0.646 0 50 CCAA CN(CCN1CCCCCC1)C(=O)[C@@H]1CCCN1C(N)=O 952983793 XEQSRKZUFJJYEU-ZDUSSCGKSA-N 296.415 0.864 0 50 CCAA O[C@]1(CN2CCN(c3ccc(F)cc3F)CC2)CCNC1 1580880576 SYGKJCIVJDBZCO-OAHLLOKOSA-N 297.349 0.811 0 50 CCAA Cc1nc(N(C)C)nc(NC[C@H]2CCNC[C@@H]2O)c1C 1565506203 FIVHJGMJLPAIPQ-NEPJUHHUSA-N 279.388 0.542 0 50 CCAA O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CNCC[C@@H]1O 1565511208 LCIYYZAPTMBBDM-OLZOCXBDSA-N 288.351 0.335 0 50 CCAA CC(C)(C)OC(=O)N1CCCn2c(CN)nnc2C1 91303701 SPRWBMLFGUVARD-UHFFFAOYSA-N 267.333 0.878 0 50 CCAA in-vitro CN1C[C@H](NC(=O)c2ccc(C(=O)O)cc2)CC1=O 268908994 MDKUMMFUKIKFJN-SNVBAGLBSA-N 262.265 0.345 0 50 CCAA C[C@H]1NC(=O)N(CCS(=O)(=O)Cc2ccccc2)C1=O 272108929 QBIBHMLDNAELME-SNVBAGLBSA-N 296.348 0.542 0 50 CCAA CCS(=O)(=O)NCc1cn([C@H](C)C(=O)C2CC2)nn1 585138879 XOOGLDLLBVOAGE-MRVPVSSYSA-N 286.357 0.258 0 50 CCAA CCn1cc(OCc2nnnn2CC2CCOCC2)cn1 278706388 RGBIODNDHYZJAK-UHFFFAOYSA-N 292.343 0.895 0 50 CCAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CCCc1nn[nH]n1 635565313 NGSBPQOSWQKBDI-GHMZBOCLSA-N 278.360 0.218 0 50 CCAA CCS(=O)(=O)CC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 188694215 HBXQTZKUXSDNDN-PWSUYJOCSA-N 291.413 0.989 0 50 CCAA CCc1cc(CNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)n[nH]1 742298577 FTAYEKCOKFXYEK-CABZTGNLSA-N 284.385 0.791 0 50 CCAA CCc1c(C(=O)NC2CC3(C2)C[C@@H]3N)nnn1CC 1615547299 SSPTUTLRNMIGAB-SLYADPJGSA-N 263.345 0.470 0 50 CCAA O=C(NCCC(=O)N1CCN[C@@H]2C[C@@H]21)OCC(F)(F)F 1616039871 XKNXLNICUZNDRH-SFYZADRCSA-N 295.261 0.238 0 50 CCAA CC(=O)c1cc2c(cc1NC(=O)[C@@H](C)N)OCCO2 1506418849 KADHBDHMWGPWPR-SSDOTTSWSA-N 264.281 0.946 0 50 CCAA O=C(O)CCN1CCC(CNC(=O)C2CCOCC2)CC1 1506426520 JBJZUYJQSRUSKR-UHFFFAOYSA-N 298.383 0.716 0 50 CCAA CN(C)C[C@@H]1COCCN(CCn2ccnc2)C1 1506423398 VYNKJMUFKAQQQV-ZDUSSCGKSA-N 252.362 0.393 0 50 CCAA Cc1nc(O)cc(CN(C)C[C@@H](C)N2CCOCC2)n1 1529188771 CGXHBZGOVUMINQ-LLVKDONJSA-N 280.372 0.643 0 50 CCAA CO[C@H]1CN(C(=O)C(C)(C)N)C[C@H]1Cc1cc(C)no1 1704313501 ODWGYLUXGNZIPB-PWSUYJOCSA-N 281.356 0.736 0 50 CCAA COc1ccnc(C(=O)N(CCO)Cc2cnc(C)[nH]2)c1 1704308581 FLWRAHMSZNAAEM-UHFFFAOYSA-N 290.323 0.756 0 50 CCAA COCCNC(=O)C(=O)NCc1ccc(F)cc1 2854950 YRNZYVUROYPXQI-UHFFFAOYSA-N 254.261 0.205 0 50 CCAA CN1CCN(c2ccc3nnc(C(F)F)n3n2)CC1=O 151745737 KCFRCMAOWOBGNI-UHFFFAOYSA-N 282.254 0.340 0 50 CCAA CC(=O)N/C(=C/c1ccccc1)C(=O)NCCC(=O)O 2289033 HBRIEWKCLCBIIL-FMIVXFBMSA-N 276.292 0.755 0 50 CCAA Cc1cccc(C(=O)N2CC[C@]3(CNC(=O)CO3)C2)n1 1772816008 DFROHLMSVPMCKF-AWEZNQCLSA-N 275.308 0.121 0 50 CCAA CC(C)c1ccc(N2CC[C@@]3(CNC(=O)CO3)C2)nn1 1772812674 NXRVPEGQBPQGHW-CQSZACIVSA-N 276.340 0.695 0 50 CCAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NCCCN1CCCC1=O 12343433 IOAYAFXPDNRAHS-VXGBXAGGSA-N 294.351 0.782 0 50 CCAA COc1ccc(/C=c2\sc3ncnn3c2=O)cc1OC 12579548 GPPBCMUMBQILRL-WDZFZDKYSA-N 289.316 0.716 0 50 CCAA COCCNC(=O)c1cnc2scc(C)n2c1=O 16648300 BJRNWPDKNZEETG-UHFFFAOYSA-N 267.310 0.441 0 50 CCAA CC(C)(CO)COB(O)c1cnn([C@H]2CCCCO2)c1 169744916 FVLPTYIVZRJONB-GFCCVEGCSA-N 282.149 0.305 0 50 CCAA CCc1nccc(-c2nccn2Cc2nc(O)n[nH]2)n1 1857730728 ZQBJYFJUWOVBSN-UHFFFAOYSA-N 271.284 0.775 0 50 CCAA COC(=O)c1cnc(N2CC[C@H]3CCN(C)C[C@@H]32)nc1 408028955 VJGYULXRJZTMKO-PWSUYJOCSA-N 276.340 0.794 0 50 CCAA CN1CCN(C(=O)C2(O)CCCCC2)C[C@@H]1c1ncc[nH]1 328629102 OJGZSCPWRWVYPV-GFCCVEGCSA-N 292.383 0.920 0 50 CCAA Cn1cc(CCC(=O)N[C@@H]2CCC(=O)NC2(C)C)cn1 338516839 HZTCAMPBRUHMDM-LLVKDONJSA-N 278.356 0.526 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2nc(CCC(C)C)no2)C1 344541201 KSOGBPPMOGQYLP-QWRGUYRKSA-N 296.371 0.733 0 50 CCAA O=C(NCc1ncc[nH]1)c1ccnc(N2CCCC2)n1 265986891 LQXJBDBDWMENHU-UHFFFAOYSA-N 272.312 0.730 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)Cn1cccc1)C2 1704329386 UHEQZKQBZLOWBH-STQMWFEESA-N 263.341 0.277 0 50 CCAA CCn1nc(C)c(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 823476667 AJMGHAZZHDHUJD-DOMZBBRYSA-N 293.415 0.759 0 50 CCAA Cc1[nH]nc2c1CCCN2C[C@@H](O)Cn1cccn1 934308073 GPYSTBUVTDZACX-LLVKDONJSA-N 261.329 0.728 0 50 CCAA COc1ccc(F)c(N2C[C@@H]3COCC[C@]3(C(N)=O)C2)n1 952890562 CZIUTFWCGDWXDC-OTYXRUKQSA-N 295.314 0.558 0 50 CCAA O=C([C@H]1CC12CC2)N1CCCC[C@H]1Cc1nn[nH]n1 1875285833 BITVZGDRNQZMDR-VHSXEESVSA-N 261.329 0.923 0 50 CCAA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)S(C)(=O)=O)C1 886079707 WFQAQAPWVIUGIB-TUAOUCFPSA-N 276.402 0.520 0 50 CCAA C[C@@]1(C(N)=O)CCN(c2ccnc(N3CCCC3)n2)C1 1775990584 CEOFEXOIFMAHME-CQSZACIVSA-N 275.356 0.779 0 50 CCAA NC(=O)c1ccc(NC(=O)CN2CCOCC2)cc1 19955168 LOXDDDUWMZSJSS-UHFFFAOYSA-N 263.297 0.056 0 50 CCAA CNc1nc(C)cc(C(=O)N(C)C[C@@H]2CCOC2)n1 280907518 FITBRYDXXIPILF-JTQLQIEISA-N 264.329 0.935 0 50 CCAA O=C(OCc1nn[nH]n1)c1csc2nccn12 2325815820 PCTOBYGHORAEOZ-UHFFFAOYSA-N 250.243 0.266 0 50 CCAA NC(=O)C1CCN(C(=S)NC(=O)c2cccs2)CC1 1191448 LFSGKAPORULEMV-UHFFFAOYSA-N 297.405 0.960 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)cc1 2573542 BAHGCTIAAMBBJI-LBPRGKRZSA-N 282.365 0.942 0 50 CCAA COCCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C 2852410 NVCRLMLPPUHZHI-QWRGUYRKSA-N 256.346 0.834 0 50 CCAA CCN(C[P@](=O)(O)CN1CCOCC1)C(C)=O 2904486 BNBZRCXQOJLAIZ-UHFFFAOYSA-N 264.262 0.372 0 50 CCAA CCOCCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 2943463 GCIMKJPOTYUAGC-NSHDSACASA-N 292.401 0.201 0 50 CCAA COc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 4510340 YVHUTMJNDNOBGL-SNVBAGLBSA-N 269.322 0.612 0 50 CCAA NC(=O)C1CCN(CC(=O)NCc2ccccc2)CC1 4834119 LIPZQUIQSXOOAC-UHFFFAOYSA-N 275.352 0.500 0 50 CCAA CC(C)(O)C(C)(C)NC(=O)[C@H]1CCS(=O)(=O)C1 221145252 XJUVYGBUSNUQLF-QMMMGPOBSA-N 263.359 0.087 0 50 CCAA CC(=O)Nc1c(O)nc(SCC(=O)C2CC2)[nH]c1=O 9860972 FNJDPFOPXYSOHA-UHFFFAOYSA-N 283.309 0.505 0 50 CCAA Cc1nc(COC(=O)C[C@@H](C)N2CCCCC2=O)n[nH]1 225528624 VPEBRFRFEUSROY-SECBINFHSA-N 280.328 0.947 0 50 CCAA CC(C)Oc1cc(NCCc2nnn[nH]2)nc(N)n1 65398412 FRHSELLBFMLSSL-UHFFFAOYSA-N 264.293 0.014 0 50 CCAA COc1ccccc1-c1n[nH]c(=O)n1CCC(=O)O 65385663 VWLUIVUWELBHJX-UHFFFAOYSA-N 263.253 0.722 0 50 CCAA CCN1CCN(C(=O)[C@@H]2CCOC2)C[C@@H]1c1nccn1C 328619703 GCWSDCLZGIIORS-CHWSQXEVSA-N 292.383 0.662 0 50 CCAA CC1(C)[C@H](NC(=O)C2CCNCC2)[C@@H]2CCO[C@H]21 230278153 SANVZPFOOPDGFW-QJPTWQEYSA-N 252.358 0.916 0 50 CCAA Cn1nnnc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 253395470 UAALGZHJGULPKF-JOYOIKCWSA-N 295.293 0.796 0 50 CCAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@@H]1COCCO1 262939687 HMLCOYKIDNWHQZ-LBPRGKRZSA-N 295.291 0.812 0 50 CCAA CCN(C(=O)c1cc(C)n(CC)n1)[C@@H]1CCS(=O)(=O)C1 74663838 WYCKSAFJXYACGU-LLVKDONJSA-N 299.396 0.861 0 50 CCAA CC(C)C1=NO[C@H](C(=O)NCCc2cnccn2)C1 219756146 KJVMJMBEEHENTM-LBPRGKRZSA-N 262.313 0.936 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1ccn([C@H]2CCCNC2)n1 261664294 BGIOAFMJMIPGAI-NEPJUHHUSA-N 277.372 0.242 0 50 CCAA C[S@@](=O)C1(CNC(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 332696208 XYPSJSRLNPIWFS-CFMSYZGJSA-N 296.396 0.477 0 50 CCAA O=C1CN(c2cncc(Br)c2)CCN1 157348039 PKMJFYCYTJSSAE-UHFFFAOYSA-N 256.103 0.780 0 50 CCAA Cc1ncc2c(c1CNC(=O)c1ccnn1C)CCNC2 72425514 GOHGLRGJOZTFNR-UHFFFAOYSA-N 285.351 0.699 0 50 CCAA COCCn1cncc1CN1CC[C@@](O)(CN(C)C)C1 72151898 PIDSZQKBZBQNAM-CQSZACIVSA-N 282.388 0.028 0 50 CCAA O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(C2CC2)no1 328715188 OIPPZPUPGASFRT-QMMMGPOBSA-N 270.310 0.469 0 50 CCAA CC[C@@H](NC(=O)Cn1ccnc1C)C1CC(O)C1 223663343 XGCHJHSQFZEQMX-HTAVTVPLSA-N 251.330 0.857 0 50 CCAA CCN1CCO[C@@H](C(=O)Nc2cccnc2N(C)C)C1 174206261 JPHTZCXGMDBUIL-GFCCVEGCSA-N 278.356 0.807 0 50 CCAA CCc1nc(C)c(CC(=O)NC(C)(C)C(=O)O)c(O)n1 426642845 BYGORMVJCWUHHY-UHFFFAOYSA-N 281.312 0.575 0 50 CCAA COc1ccc2oc(CNC(=O)CN(C)C(N)=O)nc2c1 426409317 LYIPKABHWSKCQP-UHFFFAOYSA-N 292.295 0.463 0 50 CCAA Cc1cc(C)n(CC(=O)N(CC(=O)O)C2CCOCC2)n1 237846167 NFBULHBQUIWVHL-UHFFFAOYSA-N 295.339 0.592 0 50 CCAA CSCC[C@H](NC(=O)c1cccc(=O)[nH]1)C(=O)O 235030850 PJBZSPSVNWJHLD-QMMMGPOBSA-N 270.310 0.311 0 50 CCAA O=C(Cn1cccnc1=O)N1CCC[C@@]2(CCCO2)CC1 97766781 NHPONHGFLVZZSA-OAHLLOKOSA-N 291.351 0.805 0 50 CCAA O=C(CCc1cc(O)no1)N1CC[C@@]2(CCCNC2=O)C1 91468325 GULXXCCZCXZKSQ-AWEZNQCLSA-N 293.323 0.442 0 50 CCAA CN1C(=O)c2ccc(C(=O)N(C)[C@H]3CCNC3)cc2C1=O 179085793 LGXGTQGSGGYPCW-JTQLQIEISA-N 287.319 0.346 0 50 CCAA CNC(=O)c1cc(NC2=CC(=O)NC2)ccc1-n1cccn1 524732731 XVCLSNDJTLHGJH-UHFFFAOYSA-N 297.318 0.658 0 50 CCAA CCOCCN1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 299753993 GHTZVIWEPYKAJB-GWCFXTLKSA-N 269.345 0.333 0 50 CCAA Cc1ccn2nc(C(=O)N3CCO[C@@H](CN)C3)cc2c1 534583216 WBUJSSYEZOSBDR-LBPRGKRZSA-N 274.324 0.442 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2)CN1 299755894 AFKDOBBZNAHHLB-MNOVXSKESA-N 266.272 0.459 0 50 CCAA O=c1[nH]ccn1CCN(CCO)Cc1ccccc1 299791688 FFHWTZKHVMNNBB-UHFFFAOYSA-N 261.325 0.671 0 50 CCAA O=C(CN1CCCCCC1)NCCN1CCCCC1=O 827832320 ZVVKPHZODXAKHL-UHFFFAOYSA-N 281.400 0.991 0 50 CCAA CC(C)Cn1cncc1CNC(=O)N[C@@H]1CCNC1 670438669 AGMLOUVVEFTOIY-LLVKDONJSA-N 265.361 0.700 0 50 CCAA COCCN1C[C@@H](CNc2ccc(C(N)=O)cn2)CC1=O 670458335 RZDUXHBRQGGHEV-SNVBAGLBSA-N 292.339 0.087 0 50 CCAA CC(=O)N1CCN(CC2(C)CCOCC2)C[C@H](O)C1 670462992 VAEHHUGELBWSGZ-ZDUSSCGKSA-N 270.373 0.328 0 50 CCAA Cc1cnc(CN2C[C@@H](CC(=O)O)[C@@H](c3cnn[nH]3)C2)[nH]1 1076057156 MVVHWHUKIGJEFB-ZJUUUORDSA-N 290.327 0.527 0 50 CCAA CCn1ccc(CNC[C@H]2CCN(CCOC)C2)n1 952963061 FHYFWRTXPGGZJV-CYBMUJFWSA-N 266.389 0.961 0 50 CCAA Cc1cnc(CCN(C)C(=O)[C@@H]2CCCN2C(N)=O)s1 270053022 NVGTYLIPPCNLJQ-JTQLQIEISA-N 296.396 0.996 0 50 CCAA Cn1ncc(C(=O)NS(=O)(=O)C2CCC2)c1C(F)F 408487115 VCXVOWLNLNUSNJ-UHFFFAOYSA-N 293.295 0.970 0 50 CCAA O=S(=O)(NCCOc1ccccc1)N1CCOCC1 170639534 KUQUPIZPGFHGCG-UHFFFAOYSA-N 286.353 0.232 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C)C1 583619982 FLMDYPHCZDYYMR-JGVFFNPUSA-N 291.277 0.868 0 50 CCAA COCCn1ccc(C(=O)NC[C@H]2CCCO2)n1 190373531 HOIQAHBXGXWZGV-SNVBAGLBSA-N 253.302 0.438 0 50 CCAA CN(C)[C@H]1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1(C)C 585089412 LLVXBWAYHOSTLJ-NEPJUHHUSA-N 277.368 0.844 0 50 CCAA O[C@H]1CCN([C@H]2CCC[C@H]2NCCn2cccn2)C1 643959900 JIUOHRRBWQRBRG-MJBXVCDLSA-N 264.373 0.460 0 50 CCAA c1cn(C[C@H]2CN(CCO[C@H]3CCCCO3)CCO2)nn1 585115971 BVJHDNWSDSNERO-KGLIPLIRSA-N 296.371 0.522 0 50 CCAA CCOC(=O)C(C(=O)OCC)N(C)C(=O)[C@H]1CCCO1 585124707 NZFDGFQYLYNWGW-SECBINFHSA-N 287.312 0.119 0 50 CCAA CN(C)[C@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@@H]1O 560637244 YKTBCDAAHJSTGU-RYUDHWBXSA-N 276.340 0.101 0 50 CCAA O=C(O)Cc1ccc(CCNS(=O)(=O)C2CC2)cc1 681572111 RQYABTGSNQYIJW-UHFFFAOYSA-N 283.349 0.938 0 50 CCAA CC[C@@H](NC(=O)c1ccc2nc(O)n(CC)c2c1)C(N)=O 655098225 OTTUFKSZUXCVIB-SECBINFHSA-N 290.323 0.756 0 50 CCAA CCC(=O)NC[C@@H]1OCCN(CC)[C@H]1c1cnn(C)c1 657119852 GUUJAVNKIHQJLD-JSGCOSHPSA-N 280.372 0.708 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)[C@H](C)C1CCOCC1 1614564449 KVIWTEZRGJVURB-YUSALJHKSA-N 256.346 0.152 0 50 CCAA O=S(=O)(c1ccccc1O)N1CC(N[C@H]2CCOC2)C1 1615055016 GBGIXKZRWITWRV-JTQLQIEISA-N 298.364 0.144 0 50 CCAA COCCN1CCN(Cc2ccoc2)CCC1=O 1506400761 CFAPBTBXFJSAMQ-UHFFFAOYSA-N 252.314 0.960 0 50 CCAA CSCC[C@H](O)C(=O)N1CC(n2nc(C)cc2C)C1 222660805 JJOKSRHKRWDVGQ-LBPRGKRZSA-N 283.397 0.997 0 50 CCAA Cc1ccc(C(=O)N2CCC[C@](O)(CC(N)=O)C2)o1 643993898 NJFDBNTWMXZCQN-ZDUSSCGKSA-N 266.297 0.431 0 50 CCAA CC(=O)Nc1cc(C(=O)O)cc(S(C)(=O)=O)c1 362798740 RSNMWOXOYUOFEV-UHFFFAOYSA-N 257.267 0.747 0 50 CCAA CN(Cc1nnc2n1-c1ccccc1CC2)S(C)(=O)=O 1772819887 WQAPYXSPEDTLQB-UHFFFAOYSA-N 292.364 0.757 0 50 CCAA Cc1nc(N)[nH]c1C(=O)N1CCO[C@@H](c2cccnc2)C1 1775980480 BUECSOHXLBRHFZ-LLVKDONJSA-N 287.323 0.909 0 50 CCAA O=C(O)[C@@H]1COCCN(C(=O)CCCc2cn[nH]c2)C1 1772816074 GTPYTPZYRYRQMA-NSHDSACASA-N 281.312 0.292 0 50 CCAA Cc1cc(C(=O)NCCN2CCOCC2)c(C)o1 13744417 DJJCYOPYGONMJZ-UHFFFAOYSA-N 252.314 0.958 0 50 CCAA C[C@H]1CCO[C@H]1C(=O)N[C@H]1CCO[C@@H]1c1nccn1C 583615006 CDQSYWQYSLYTOG-YFKTTZPYSA-N 279.340 0.791 0 50 CCAA CCn1cc(S(=O)(=O)N[C@H]2CN(C)CC2(C)C)cn1 952992468 FMIXBGLLKQBSHL-NSHDSACASA-N 286.401 0.522 0 50 CCAA O=C(NC[C@]1(CO)CC12CCOCC2)c1ncc[nH]1 1875278589 MTTAATNLMSPFJU-ZDUSSCGKSA-N 265.313 0.319 0 50 CCAA CCN1CC[C@H](NC(=O)/C=C/CN(C)C)C(F)(F)C1 1875376550 ASEJSWKXFLSIGA-QRGHLMKCSA-N 275.343 0.950 0 50 CCAA CS(=O)(=O)NC(=O)c1cnc(-c2ncccn2)s1 1875391288 MRXWOPGFKSCDOK-UHFFFAOYSA-N 284.322 0.290 0 50 CCAA CC(C)C[C@H]1CN(C)CCN1C(=O)CCn1ccnn1 886590765 DFIMZPFCFFDIOR-ZDUSSCGKSA-N 279.388 0.857 0 50 CCAA O=C(N[C@@H](Cc1ccccc1O)C(=O)O)[C@H]1CCOC1 1775991896 OCOWAYFLDVTCNX-QWRGUYRKSA-N 279.292 0.541 0 50 CCAA NC(=O)NC(=O)CCN1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 250820180 FYJKACFEEOKPES-AEJSXWLSSA-N 283.328 0.289 0 50 CCAA O=C(O)CN1CCC(NC(=O)CCC(F)(F)F)CC1 426495534 AAYWSQXAXWHADO-UHFFFAOYSA-N 282.262 0.994 0 50 CCAA CSC[C@H](NC(=O)c1cccnc1C)C(=O)O 426545151 QSALDDWQDSTJDP-VIFPVBQESA-N 254.311 0.936 0 50 CCAA COC[C@]1(C(=O)NCc2cnn(C)c2C)CCCN1 643778029 BRSPSUHHZRBOCJ-ZDUSSCGKSA-N 266.345 0.113 0 50 CCAA O=C1NC[C@@H]2CN(c3cc(N4CCCC4)cnn3)CC[C@H]12 2325802355 BTSKKMICFPTMDJ-YPMHNXCESA-N 287.367 0.649 0 50 CCAA C[C@@H]1CCn2c(C(=O)N[C@H]3C=CS(=O)(=O)C3)cnc2C1 2325804986 HDOCBWWPISIXIZ-ZJUUUORDSA-N 295.364 0.506 0 50 CCAA NC[C@@H](O)CNC(=O)c1cnn(-c2cccc(F)c2)c1 2325865547 GYWMBOWLGLSGHO-GFCCVEGCSA-N 278.287 0.061 0 50 CCAA O=C(N[C@@H]1CC2CC1C2)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 2332239484 IYNRCMYMOVMINO-GBGGQQPUSA-N 277.320 0.622 0 50 CCAA O=C(NCCCO)C(=O)Nc1ccccc1Cl 2864948 MSQDVNANKXVXOQ-UHFFFAOYSA-N 256.689 0.777 0 50 CCAA CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC)cc1 6697187 GVCJNTUVGQXETP-VIFPVBQESA-N 286.353 0.498 0 50 CCAA CNCC(=O)N1CCC[C@@H](OCc2ccccn2)C1 71749648 CFXMNOGJHZLCEP-CYBMUJFWSA-N 263.341 0.809 0 50 CCAA CCCOCCS(=O)(=O)N[C@@H](C)[C@H]1COCCO1 2325803796 BMUUVPGLTQRKIF-WDEREUQCSA-N 281.374 0.136 0 50 CCAA CC(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 23144311 FXFBQMBTORAQJB-UHFFFAOYSA-N 272.312 0.331 0 50 CCAA COCc1noc(CN[C@H]2CCCC[C@@H]2CO)n1 124848624 SRENMDNWPYTWEZ-ZJUUUORDSA-N 255.318 0.857 0 50 CCAA O=C1C[C@H](NS(=O)(=O)N2CCCC2)[C@H]2CCCCN12 328782738 HSMKYODXAHQYDJ-WDEREUQCSA-N 287.385 0.070 0 50 CCAA CCn1c(S)nnc1CNC(=O)[C@@]1(C)CCCO1 151896820 OLDOIJRMBAUNRB-LLVKDONJSA-N 270.358 0.772 0 50 CCAA COCCOCC(=O)NCc1nc(-c2ccncc2)n[nH]1 219555241 FVUVYRNODHRUPW-UHFFFAOYSA-N 291.311 0.146 0 50 CCAA Cn1c(S)nnc1CCNC(=O)C[C@@H]1CCCCO1 151968703 KQVSQCBGSAPROU-VIFPVBQESA-N 284.385 0.722 0 50 CCAA Cc1cc(N2CCC[C@@H](NC(=O)C(=O)O)C2)nc(C)n1 364031168 SZADTVCDENRUDX-SNVBAGLBSA-N 278.312 0.263 0 50 CCAA Cc1nc(C)n(CCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)n1 77284730 REWDCDYBGXOQFP-LBPRGKRZSA-N 293.371 0.268 0 50 CCAA COC[C@@H](O)CN1CCOc2cc(OC)ccc2C1 374763272 FPJBJCAYVAFBFA-LBPRGKRZSA-N 267.325 0.897 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)CCc1nc2cccnc2[nH]1 238067574 SBWCCPUSRLHVRH-SNVBAGLBSA-N 288.307 0.966 0 50 CCAA O=C(Cc1ccncc1)NCc1cc2n(n1)CCCNC2 82108762 NXFTYGBIXVSGNF-UHFFFAOYSA-N 285.351 0.630 0 50 CCAA CCc1ccccc1CC(=O)N1C[C@@H](OC)C[C@H]1C(N)=O 284880700 QOMKESJKWYLGMV-KBPBESRZSA-N 290.363 0.893 0 50 CCAA CSCC[C@H](O)C(=O)NCCn1c(C)cc(C)nc1=O 221298755 IZWQALNKYBADRR-NSHDSACASA-N 299.396 0.090 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCc1nc(CSC)no1 222503586 XLBVPYLOLZDVEK-LURJTMIESA-N 288.329 0.293 0 50 CCAA CNC(=O)[C@@H]1CCN(S(=O)(=O)CC2CCCC2)C1 335142399 PGOYBRQEIZFDRF-LLVKDONJSA-N 274.386 0.574 0 50 CCAA C[C@H](C(=O)NCCc1nncn1C)N1CCCCC1 426701602 MKKMNSJIHWHRMO-LLVKDONJSA-N 265.361 0.348 0 50 CCAA Cc1cnc(CNc2cc(C3CC(N)C3)nc(N)n2)cn1 223098810 CWSUYTLURBQCJM-UHFFFAOYSA-N 285.355 0.974 0 50 CCAA Cc1nn(C)c(Cl)c1C(=O)N1CCCNCC1 178361509 LOUFRZSTZWZRMC-UHFFFAOYSA-N 256.737 0.817 0 50 CCAA CO[C@H]1C[C@@H](CO)N(C(=O)c2onc3c2CCCC3)C1 614626736 FNIMXHFJPJILHE-UWVGGRQHSA-N 280.324 0.775 0 50 CCAA Cc1nc(CNC(=O)CCCN2CCCCC2)cc(=O)[nH]1 95361510 UILJRURGWACRLW-UHFFFAOYSA-N 292.383 0.961 0 50 CCAA CN(C)C[C@@H]1CN(Cc2cccc(CCN)c2)C[C@@H]1CO 91551831 DLCWNRGKGZYNJR-IAGOWNOFSA-N 291.439 0.790 0 50 CCAA CN1CCC[C@H](CCC(=O)NCCc2cc(=O)[nH]cn2)C1 91625897 UXYUZYJWBNRDSS-GFCCVEGCSA-N 292.383 0.551 0 50 CCAA Cc1cnc(CNC(=O)c2cnc(N(C)C)nc2C)cn1 97514168 RFCCXWVTPIZXDZ-UHFFFAOYSA-N 286.339 0.879 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1cccc2c1OCO2 299748264 GQJFMULCTWJXPB-SECBINFHSA-N 279.248 0.341 0 50 CCAA NC(=O)[C@H](O)C1CCN(c2ccnc(C3CC3)n2)CC1 299741340 DVRIKPGGILHOMT-GFCCVEGCSA-N 276.340 0.417 0 50 CCAA Cc1cccc(CCCNC(=O)N(C)C[C@@H](O)CO)c1 534666880 FUNCGTACVHMOPM-CQSZACIVSA-N 280.368 0.922 0 50 CCAA Cc1ncc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)[nH]1 361007581 HCGDPSVQJXAHSP-UHFFFAOYSA-N 274.206 0.785 0 50 CCAA CC(C)C(=O)N[C@H](C)c1nnc2n1CCNCC2 299763888 GTAHWSIJOVXUTL-SECBINFHSA-N 251.334 0.257 0 50 CCAA CN(C)CCN1CC(=O)N[C@@H](CC2CCCCC2)C1=O 823698133 KJLFJYVJXDWVKX-ZDUSSCGKSA-N 281.400 0.845 0 50 CCAA CCCCn1nc(CC(N)=O)nc1Cn1nc(C)cc1N 822888895 UQJHUIGSYAGOKK-UHFFFAOYSA-N 291.359 0.241 0 50 CCAA C[C@H](CC(=O)O)NS(=O)(=O)CC(=O)c1ccccc1 725375465 HNMSUZLZVKBKMF-SECBINFHSA-N 285.321 0.652 0 50 CCAA CCCS(=O)(=O)N[C@@H](C)c1nc(CCOC)no1 822993552 LXRJSHXOBBJLES-QMMMGPOBSA-N 277.346 0.649 0 50 CCAA CCCc1cnc(N2C[C@H](O)[C@@H](N(C)C)C2)nc1 670474195 KIRGFKFASLSMAC-RYUDHWBXSA-N 250.346 0.540 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)N1CCc2n[nH]c(C)c2C1 670444272 GYLLWWCRTDALNW-SECBINFHSA-N 286.401 0.404 0 50 CCAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1cnc2ccccn2c1=O 1074561255 JRISTZRDKIRYNB-MVWJERBFSA-N 285.303 0.602 0 50 CCAA C[C@@H](O)C(=O)N1CCC(CNC(=O)c2cncs2)CC1 952983161 OOIQADXHCFASEI-SECBINFHSA-N 297.380 0.492 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCc1cccnc1 1565507131 JSNKUJMGRLRODB-UKMLZYKCSA-N 289.379 0.848 0 50 CCAA O=C(NS(=O)(=O)[C@@H]1CCOC1)c1ccccc1 408383889 INSWUZFFJSKUTO-SNVBAGLBSA-N 255.295 0.535 0 50 CCAA COc1c(C)ncnc1N1CCC(NCCO)CC1 656150184 LABQDIDBDZBUKW-UHFFFAOYSA-N 266.345 0.344 0 50 CCAA COC(=O)C(C)(C)n1ccc(=NC(=O)c2cc[nH]c2)[nH]1 598255708 YBFKCFJGIZZFJT-UHFFFAOYSA-N 276.296 0.794 0 50 CCAA COCC1(C(=O)N2C[C@H](N)C3(CCC3)C2)CCNCC1 1615553102 GHBSJYJXTNZQQB-LBPRGKRZSA-N 281.400 0.342 0 50 CCAA COC[C@@]1(C(=O)O)CN(c2ncccc2F)CCO1 1616035170 NTIPRTIFGXTCCP-GFCCVEGCSA-N 270.260 0.527 0 50 CCAA CCN(Cc1cnn(CC)c1)C(=O)c1cncc(=O)[nH]1 1506402549 JLGBNQWTHRGVCC-UHFFFAOYSA-N 275.312 0.649 0 50 CCAA CC(=O)Nc1nonc1NC(=O)c1[nH]cnc1C 1529197418 QDVZGTGVVYEPRH-UHFFFAOYSA-N 250.218 0.312 0 50 CCAA COCCc1noc(CN(C)c2cc(OC)nc(N)n2)n1 1529184600 BMDJDYPIJBQPBG-UHFFFAOYSA-N 294.315 0.276 0 50 CCAA COC[C@H]1CN(Cc2nc(N(C)C)no2)CC(C)(C)O1 330539170 RIOKZZFOQQVZCN-SNVBAGLBSA-N 284.360 0.761 0 50 CCAA C[C@H]1CN(C[C@@H](O)C(F)(F)F)CCN1CC(C)(C)O 249427290 YHPUGUGVQDEKGT-VHSXEESVSA-N 284.322 0.687 0 50 CCAA COCc1cc(CNC(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)[nH]n1 1704325793 RUPVBFLJSHUVDU-JIMOISOXSA-N 297.355 0.348 0 50 CCAA CCc1c(C)nc2nc(N3CCOCC3)[nH]n2c1=O 1738811110 UTLYCKVKGXPGNJ-UHFFFAOYSA-N 263.301 0.125 0 50 CCAA COc1ccccc1[C@@H]1C(C(N)=O)=C(C)N=C2N=CNN21 13125236 NFJZJTREEDFDPE-GFCCVEGCSA-N 285.307 0.714 0 50 CCAA CC1CCN(C[C@@H](O)CN2CCC(CN)CC2)CC1 15781555 UAWYAZCAXAUSNL-OAHLLOKOSA-N 269.433 0.750 0 50 CCAA CC(C)(O)[C@@H]1[C@@H](N2CCOCC2)C(C)(C)S1(=O)=O 19809067 QZENCEXEELNUEF-ZJUUUORDSA-N 277.386 0.034 0 50 CCAA C[C@@H](O)CNCCNCc1ccc2c(c1)OCO2 19871954 FZENBSMNBQICHV-SNVBAGLBSA-N 252.314 0.475 0 50 CCAA Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1 1857715877 MLZKYIKIOJZICJ-LSJOCFKGSA-N 264.329 0.310 0 50 CCAA C=CC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 848978897 AMEKWJRWEKEDHM-VIFPVBQESA-N 250.302 0.769 0 50 CCAA O=C(Cn1nnnc1-c1ccccc1)NOC1CCC1 821222361 SDXULNAFTFJQJZ-UHFFFAOYSA-N 273.296 0.940 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@@H]1CCCc2n[nH]cc21 1875259368 ATFISRSTFJMNQB-DTWKUNHWSA-N 251.286 0.666 0 50 CCAA N[C@H](CNC(=O)NC[C@H]1CNCCCO1)c1ccccc1 1875349475 YKJAMLOPVVPULO-ZIAGYGMSSA-N 292.383 0.364 0 50 CCAA COc1ncccc1S(=O)(=O)N1CCC[C@]1(C)CO 877871175 LXAXANBOJNTFAV-GFCCVEGCSA-N 286.353 0.626 0 50 CCAA Cc1cc(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)no1 262016377 WCNBPUQSVYZQOG-KOLCDFICSA-N 253.302 0.318 0 50 CCAA CCN(C)S(=O)(=O)N1C[C@@H](C)C[C@@H](C(=O)O)C1 263168003 JAQNGBYBWAGROK-DTWKUNHWSA-N 264.347 0.226 0 50 CCAA CC1(C)CN(C[C@@](C)(O)C(F)(F)F)CCS1(=O)=O 407956407 KHRCEHVYFHBANA-SECBINFHSA-N 289.319 0.809 0 50 CCAA Cc1noc(C)c1CN(C)C[C@]1(O)CNCCOC1 77353784 YHGHLQOLTCFTFB-CYBMUJFWSA-N 269.345 0.074 0 50 CCAA CO[C@H]1C[C@@H](CO)N(C(=O)[C@@H]2CCCOCC2)C1 329042151 SZZWQGZVKNKEBT-WOPDTQHZSA-N 257.330 0.411 0 50 CCAA CCc1nc(C(=O)N[C@H]2CCC(=O)N[C@H]2C)c(C)o1 336558027 JDIWUWYMBBHFQU-CBAPKCEASA-N 265.313 0.942 0 50 CCAA CCCn1cnnc1CN[C@H](C)CN1CCOCC1 823031263 CBJRLDQSJIKODL-GFCCVEGCSA-N 267.377 0.498 0 50 CCAA Cc1n[nH]c(C)c1CN1CCC2(CC1)OCC(=O)N2C 2325766163 KFLVGTIEDJGQBQ-UHFFFAOYSA-N 278.356 0.807 0 50 CCAA CCN(Cc1cn(C)nn1)C(=O)CC1(CC(=O)O)CC1 2325777941 QXNYSQBSYIGSED-UHFFFAOYSA-N 280.328 0.809 0 50 CCAA Cn1nncc1C(=O)N1CC[C@@H](C(=O)O)CC12CC2 2325778276 OSTGDJFBMKPFTM-MRVPVSSYSA-N 264.285 0.285 0 50 CCAA COC[C@@H]1CCCN(C(=O)NCc2ccnn2C)C1 113594513 SWLNYNCMVQWTKQ-LLVKDONJSA-N 266.345 0.988 0 50 CCAA O=c1c(CN2CCOCC2)ccc2n1C[C@@H]1CNC[C@H]2C1 2356169962 OCMVLDUBRVDQKW-GXTWGEPZSA-N 289.379 0.387 0 50 CCAA CCn1c([C@H]2CCCNC2)nn(Cc2ncccn2)c1=O 67489800 HFAQGMAZWDSFIN-NSHDSACASA-N 288.355 0.370 0 50 CCAA CN1CCN(C(=O)[C@H]2CC(c3ccccc3O)=NO2)CC1 20220092 XHCHTYIGXHTGNS-CQSZACIVSA-N 289.335 0.659 0 50 CCAA CCOc1ncccc1C(=O)N1C[C@H](N(C)C)C[C@H]1CO 65407218 JOSWDZPLGRFIJI-NEPJUHHUSA-N 293.367 0.617 0 50 CCAA CN[C@@H](C)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1 72477177 MBEAUGQYTQPZIL-JTQLQIEISA-N 294.355 0.241 0 50 CCAA O=C([C@H](O)c1cccnc1)N1CCc2ccnc(O)c2C1 366771351 HNSSEBCNJCBNBI-CYBMUJFWSA-N 285.303 0.801 0 50 CCAA CCC1(C(=O)N2CCN([C@@H]3CCNC3)CC2)CC1 261577464 OJZREICKYWNVBF-GFCCVEGCSA-N 251.374 0.683 0 50 CCAA Cc1ccccc1C[C@H](CO)NS(=O)(=O)C1COC1 330258454 MKMNAAPHCKSKCF-GFCCVEGCSA-N 285.365 0.217 0 50 CCAA O=C(Cn1cccn1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 517262602 XNPVQZHKOIHWGZ-SECBINFHSA-N 276.300 0.113 0 50 CCAA Cc1nn(C)c2ncnc(N3CCN4CCC[C@@H]4C3)c12 72410525 NOKFMVSGYAXOKI-LLVKDONJSA-N 272.356 0.956 0 50 CCAA CC(C)n1cnnc1[C@H](C)NC(=O)Cn1ccccc1=O 426684488 NBXQWAJLDUGDNJ-NSHDSACASA-N 289.339 0.898 0 50 CCAA NC(=O)[C@]1(O)CCCN(C(=O)c2cncc3ccccc23)C1 285469374 KMGNGEXXFNXYDZ-INIZCTEOSA-N 299.330 0.687 0 50 CCAA CCc1nnc(CNC(=O)COC[C@@H]2CCCCO2)o1 220074802 WPQQZFPYCSMRJJ-JTQLQIEISA-N 283.328 0.834 0 50 CCAA C[C@H](CC(=O)NC1(C(=O)O)CCC1)n1cccn1 426707218 NCEGGFPRYLUIAH-SECBINFHSA-N 251.286 0.958 0 50 CCAA O=c1c2ccccc2cnn1Cc1nc2ncccn2n1 95387502 WNOVFGVTDUJNQS-UHFFFAOYSA-N 278.275 0.883 0 50 CCAA C[C@]1(O)CCN(C(=O)CSc2ccccn2)C[C@@H]1O 96130579 GKVVICNHVAOIGR-GWCFXTLKSA-N 282.365 0.518 0 50 CCAA CCSCC(=O)NCCCc1nnc(N)s1 243932303 BUOJADCONWVIHP-UHFFFAOYSA-N 260.388 0.922 0 50 CCAA Cc1cccnc1NCCNC(=O)[C@@H](C)Cn1cncn1 244601726 DRASBBQHPPIUGE-LBPRGKRZSA-N 288.355 0.846 0 50 CCAA C[C@@H](Cn1cncn1)NC(=O)c1c2c(nn1C)CCCC2 244718910 LTEZSIJNOFQUPW-JTQLQIEISA-N 288.355 0.709 0 50 CCAA CN1CCC[C@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 294079192 JOUDPWLIJADIBB-INIZCTEOSA-N 289.379 0.943 0 50 CCAA CC(C)[C@H](CO)NC(=O)[C@@H](c1ccccc1)n1cnnn1 252479598 BIHPNHCDPUYUNN-QWHCGFSZSA-N 289.339 0.396 0 50 CCAA COC(=O)N1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2N 534656668 UYLBRWWIEPTUTG-YVECIDJPSA-N 295.383 0.803 0 50 CCAA C[C@@H](CCNc1nc[nH]c2ncnc1-2)N1CCN(C)CC1 534577218 ANTNONWVNABNIA-NSHDSACASA-N 289.387 0.742 0 50 CCAA CCOC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 30665 NCISFTPZVRUJIL-UHFFFAOYSA-N 264.347 0.068 0 50 CCAA COCc1noc(CN(C)Cc2c[nH]nc2C)n1 639970708 JBFZESZUZVQBJH-UHFFFAOYSA-N 251.290 0.880 0 50 CCAA CC(C)C1=NO[C@@H](C(=O)N2CCC(N(C)CCO)CC2)C1 584899046 ACPVXXHOVKRDBL-CQSZACIVSA-N 297.399 0.702 0 50 CCAA CS(=O)(=O)CC1(Cn2cc(C3CC3)nn2)CC1 664122621 YKOFNGRFXWFOLK-UHFFFAOYSA-N 255.343 0.980 0 50 CCAA CN1CCCNC(=O)C12CCN([C@H]1CCSC1)CC2 584887703 XTAVMUZAHSBCKW-LBPRGKRZSA-N 283.441 0.778 0 50 CCAA CN1CCC(C)(C(=O)N2CCN(C)[C@@H](CCO)C2)CC1 584889515 JFHIWTYNUVYXNI-ZDUSSCGKSA-N 283.416 0.243 0 50 CCAA CC1(C)SC[C@H](C(=O)NCC2(CO)CCC2)NC1=O 670442307 GTZIQHHUWNDMOW-SECBINFHSA-N 286.397 0.275 0 50 CCAA COCCN(C(=O)CO)c1c(C)cccc1C(=O)O 44018864 UJKHCLQXFACPDB-UHFFFAOYSA-N 267.281 0.665 0 50 CCAA in-vitro COCC(=O)N1CCC[C@H](CNC(=O)C2CCC2)C1 952966521 JEKJXATUUQOBRZ-LLVKDONJSA-N 268.357 0.788 0 50 CCAA CSC[C@H](NC(=O)C1=C(C)OCCO1)C(=O)O 952971709 LCEKPPOISBJFFV-ZETCQYMHSA-N 261.299 0.197 0 50 CCAA COCCN1CCCN(C(=O)[C@]2(C)CCCOC2)CC1=O 408275921 CRKOCHSMQUZIBY-OAHLLOKOSA-N 298.383 0.510 0 50 CCAA Cc1cc(Br)cc(N2CC(O)(C(N)=O)C2)n1 894744977 HXHARYWGHOVWOZ-UHFFFAOYSA-N 286.129 0.189 0 50 CCAA COc1ncc(C(=O)N2CCCC[C@@H]2[C@@H](C)N)cn1 408525455 NJWDJHNTPHFQKB-MWLCHTKSSA-N 264.329 0.827 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)NCc1cncnc1N 276853424 YCXPXIIZIOYXIH-WPRPVWTQSA-N 250.302 0.490 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)NCc1ncn(C)n1 276964206 DPMWMFRJNQJURS-NXEZZACHSA-N 252.318 0.637 0 50 CCAA CC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2O)CC1 170597889 FLDFEBJNVCRBSC-NEPJUHHUSA-N 268.357 0.665 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)C2(NC3CC3)CCC2)[C@@H]1OC 662808420 KVLMBWHYTJIKCQ-UPJWGTAASA-N 282.384 0.970 0 50 CCAA CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)O)C1=O 669371703 RRUHRBBZJQFVPQ-SECBINFHSA-N 286.328 0.834 0 50 CCAA C[C@@]1(C(=O)O)CCCN1CC1(CS(C)(=O)=O)CC1 652480681 NOFXLUXSWSOKHP-NSHDSACASA-N 275.370 0.750 0 50 CCAA O=C1CNCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 585086692 HDYXNFAAJRZOKY-VIFPVBQESA-N 293.289 0.219 0 50 CCAA C[C@H](O)[C@@H](O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 1615541250 JSAQTYDDIIZJRP-DRZSPHRISA-N 292.335 0.281 0 50 CCAA O=C(c1cnc(O)nc1O)N1CCC(C2(O)CC2)CC1 1772819722 QXYAYDUMUNUYOG-UHFFFAOYSA-N 279.296 0.265 0 50 CCAA CS(=O)(=O)c1ccc(N[C@H]2Cc3cncn3C2)nc1 1647476552 RUPVUICICKGBTO-VIFPVBQESA-N 278.337 0.718 0 50 CCAA O=C1NCC2(CN(C(=O)Cc3ccc(Cl)cc3)C2)N1 1857683372 WHGQFKBGXIAUCS-UHFFFAOYSA-N 279.727 0.776 0 50 CCAA O=S1(=O)CC[C@H](CCN2C[C@H]3C[C@@H](O)C[C@H]3C2)C1 1775982305 JHYUPTDEBBALNZ-RVMXOQNASA-N 273.398 0.514 0 50 CCAA Cc1ncc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cn1 1529190868 OFZSOJTYQRQLRC-UKRRQHHQSA-N 287.367 0.852 0 50 CCAA Cc1nc2c(s1)[C@H](N(C)CC(=O)NC(N)=O)CCC2 111311880 DHQIZTKMJCVZCV-SECBINFHSA-N 282.369 0.956 0 50 CCAA CCOC(=O)N1CCN(c2n[nH]c(=N)s2)CC1 1857676393 RVQKEAFPHFUCHX-UHFFFAOYSA-N 257.319 0.229 0 50 CCAA O=C1C[C@H]2NCC[C@H]2N1Cc1nc(C(F)(F)F)n[nH]1 1800411773 NZPKCQIXWSZVCC-PHDIDXHHSA-N 275.234 0.286 0 50 CCAA COC(=O)[C@@H](N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 35630213 IOYJGIAHVAQCPO-IUCAKERBSA-N 258.318 0.744 0 50 CCAA in-vitro Cn1cc(Cl)cc1C(=O)N1CCOC[C@@H]1c1nn[nH]n1 913493442 VIBBCUIGLKLIRA-SECBINFHSA-N 296.718 0.405 0 50 CCAA O=C(c1ccns1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857699277 KKZDQPWLAQAJTH-GXFFZTMASA-N 295.364 0.246 0 50 CCAA N=C(N)NCCC[C@@H]1NC(=S)N(c2ccccc2)C1=O 1621705 ZURXKEWGRJYSHJ-JTQLQIEISA-N 291.380 0.540 0 50 CCAA biogenic,in-vitro O=C(NCc1ccc2c(c1)OCCCO2)[C@@H]1C[C@H](O)CN1 238099856 AQSLQWHPVSGBDC-RYUDHWBXSA-N 292.335 0.187 0 50 CCAA O=C([C@H]1C[C@@H](O)CN1)N1CCc2cc(Cl)ccc2C1 335192421 HYZIUXAWDGNSDG-CHWSQXEVSA-N 280.755 0.948 0 50 CCAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O 13429287 GENSLUDVKWKQMX-QWHCGFSZSA-N 276.336 0.964 0 50 CCAA biogenic CNC(=O)[C@H](NC(=O)CNC(=O)c1ccsc1)C(C)C 347560047 CBJNJEBQGSAWGU-LLVKDONJSA-N 297.380 0.365 0 50 CCAA C[C@H]1COCCCN1C(=O)NCc1nnnn1CC1CC1 681164090 QPPKELQXFYUEGZ-JTQLQIEISA-N 294.359 0.404 0 50 CCAA COC(=O)[C@@H]1CNCCCN1Cc1noc2c1CCCC2 592488514 KYUCVFHUTAKJPX-ZDUSSCGKSA-N 293.367 0.890 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC(C(=O)NCCC)CC1 858262160 LCBQHWDFOPITCZ-UHFFFAOYSA-N 295.383 0.396 0 50 CCAA CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 1875276202 DHFXMYLJAPLQNR-ZANVPECISA-N 292.364 0.644 0 50 CCAA CCn1nc(C)c(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)n1 886999145 LYNYEPUIYXQWML-GHMZBOCLSA-N 294.355 0.266 0 50 CCAA Cc1nc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)co1 887006056 OHJUVIAIGXYGQJ-GHMZBOCLSA-N 266.297 0.643 0 50 CCAA CCOC(=O)c1cn(C)nc1NC(=O)[C@H]1C[C@H](C)CO1 889848783 WEARZHMYIZCFRF-WCBMZHEXSA-N 281.312 0.960 0 50 CCAA CCN1CCN(c2cnc(CO)cn2)C[C@]12CCOC2 1775962031 OPJCPBWYARIVAF-AWEZNQCLSA-N 278.356 0.270 0 50 CCAA O=C(O)[C@H](Cc1ccc(O)c(F)c1)NC(=O)[C@H]1CCCO1 1775999496 URILXRRSERKWQZ-CMPLNLGQSA-N 297.282 0.822 0 50 CCAA NC(=O)c1ccnc(N2CC[C@]3(CCCNC3)C2)c1 67696083 YGIDSZOWRCYEAY-AWEZNQCLSA-N 260.341 0.760 0 50 CCAA COCCOCC(=O)N1CC[C@]2(CCCNC2)C1 67894461 WYTMQHVILGNXAQ-ZDUSSCGKSA-N 256.346 0.252 0 50 CCAA Cc1nc(CNC(=O)[C@H]2COc3ccccc3C2)n[nH]1 91440418 JZRQOWLOVPYRJD-LLVKDONJSA-N 272.308 0.981 0 50 CCAA Cc1ncccc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C 299744185 NUBBHJNRWADXTP-OLZOCXBDSA-N 260.341 0.988 0 50 CCAA C[C@@H]1CCn2c(C(=O)NC[C@@H]3C[C@@H](N)C[C@@H]3O)cnc2C1 2325798865 GESRVEQAGGLLQH-XZUYRWCXSA-N 292.383 0.293 0 50 CCAA O=S1(=O)CCCCN1S(=O)(=O)c1ccccc1 6475710 ZXQHPKGNPXDISW-UHFFFAOYSA-N 275.351 0.801 0 50 CCAA CC(C)(C)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 119510941 HEBAQJJFIXJMEF-QSFUFRPTSA-N 276.336 0.708 0 50 CCAA CC1CCN(CCN2CCO[C@H](C)[C@H]2C(N)=O)CC1 346457589 HFBLAKIHHKZBBE-OLZOCXBDSA-N 269.389 0.293 0 50 CCAA CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606834 WXBUHFMUPAVSBY-VIFPVBQESA-N 288.394 0.895 0 50 CCAA NC(=O)N[C@@H]1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1 342867511 CPPIBQGEYQXVFU-SNVBAGLBSA-N 298.293 0.646 0 50 CCAA COc1cccc(N([C@@H](C)C(=O)O)S(C)(=O)=O)c1 20130878 ZVPWLNWYDDXLQR-QMMMGPOBSA-N 273.310 0.934 0 50 CCAA Cc1cc(CN2CCc3nc(C)n(C)c(=O)c3CC2)[nH]n1 65526480 COQLSEDKYRGKGO-UHFFFAOYSA-N 287.367 0.721 0 50 CCAA O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@H]2CNC[C@H]21 77377977 RMDDTSLYXINQBV-GXTWGEPZSA-N 283.335 0.701 0 50 CCAA N[C@@H](C(=O)Nc1ccn([C@H]2CCNC2)n1)c1ccccc1 328626372 LQKZVEPVFIKEHQ-GXTWGEPZSA-N 285.351 1.056 0 50 CCAA CN(C)C/C=C/C(=O)N[C@H]1CCN(c2cccnc2)C1 361468019 ZWOUTUIWPKYMSM-BPJJOFIESA-N 274.368 0.894 0 50 CCAA COC(=O)C1=NOC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 155934951 GIIFURKOWXEIJQ-UHFFFAOYSA-N 291.307 0.939 0 50 CCAA O=C1CCC(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)=NN1 369844366 CCGKRZSETPCFPH-VXGBXAGGSA-N 293.367 0.918 0 50 CCAA CC(C)NS(=O)(=O)N1CC[C@@H](OCc2ccncc2)C1 242346915 ZKFHLHUIQQUSJA-CYBMUJFWSA-N 299.396 0.915 0 50 CCAA Cc1cc(CC(=O)NCc2nnc3ccccn23)on1 219051446 UGMOLTQRKHNYCS-UHFFFAOYSA-N 271.280 0.885 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)NCCCn2ccnn2)n1 182953703 RVMAEYRSZUPPQX-LBPRGKRZSA-N 276.344 0.859 0 50 CCAA Cc1cccc(C(=O)N2CCNC[C@@H](CC(=O)O)C2)n1 71681952 CYZYYJOSDLCDHU-LLVKDONJSA-N 277.324 0.526 0 50 CCAA CC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 335902307 WZNUQZPXYDMNNV-HTQZYQBOSA-N 288.291 0.287 0 50 CCAA Cn1ccnc1C(=O)NCCCc1nnc2ccccn12 83054359 ZPHYBSROQDJEEZ-UHFFFAOYSA-N 284.323 0.825 0 50 CCAA Cn1cccc1CN1CCC[C@](O)(Cn2ccnn2)C1 285400646 GBMIXJBQQJWMBU-CQSZACIVSA-N 275.356 0.644 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@@H](CC(=O)O)C(C)C)n1 222262800 UZSBRHOLPOWTFK-VIFPVBQESA-N 268.317 0.389 0 50 CCAA C[C@@H](NC(=O)c1cnnn1-c1ccccc1)c1nc(N)n[nH]1 426401858 LMRTWCMFNQOQJA-MRVPVSSYSA-N 298.310 0.459 0 50 CCAA O=C(NCc1nnnn1-c1ccccc1)c1ccnnc1 221434708 PECIFZYDVFUTET-UHFFFAOYSA-N 281.279 0.382 0 50 CCAA COc1ccc(-c2ccc(N(C)CCO)nn2)c(OC)n1 426443533 ZTPVZFHCPPFYIJ-UHFFFAOYSA-N 290.323 0.984 0 50 CCAA CCc1nnsc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1COC 222860944 DXSJAKPKIFVQOI-URPMGSGRSA-N 297.380 0.880 0 50 CCAA C=CC(=O)NCCNC(=O)[C@H]1CCCCN1C(=O)CC 264597341 CJDKRYVGUCALNI-LLVKDONJSA-N 281.356 0.196 0 50 CCAA O=C(CC1CCNCC1)N1CCN(C2CCOCC2)CC1 430773930 XUNQTYYPZCVNKP-UHFFFAOYSA-N 295.427 0.699 0 50 CCAA Cn1cc([C@H](NC(=O)c2ccnnc2)[C@H]2C[C@H](O)C2)cn1 244774182 PPFSKFXKVMBSAR-RAIGVLPGSA-N 287.323 0.452 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)N(C)Cc2n[nH]c(=O)[nH]2)n1 244900105 ZWCLFEUDHCMPJX-VIFPVBQESA-N 278.316 0.131 0 50 CCAA C[C@H](Cn1cncn1)C(=O)NCc1csc(N(C)C)n1 244724039 MMKLRPHVWWHYQK-SECBINFHSA-N 294.384 0.753 0 50 CCAA CC[C@H](C(=O)NCc1nnc(N)s1)n1cccn1 252479765 BMPXDXNPLLMHRS-SSDOTTSWSA-N 266.330 0.584 0 50 CCAA CN1C(=O)[C@H]2C=C[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 253378495 GPCCRHMTSQOYRL-XDQVBPFNSA-N 296.326 0.814 0 50 CCAA COc1c[nH]c(C(=O)Nc2ccn3nnnc3c2)cc1=O 604419535 FGOXNYXWYQVZEA-UHFFFAOYSA-N 286.251 0.074 0 50 CCAA Cc1cc(C)nc(CNC(=O)CN(C)C2CCNCC2)n1 534637859 LDTKIJMVMOLBKX-UHFFFAOYSA-N 291.399 0.393 0 50 CCAA C[C@H]1CNCCN1S(=O)(=O)c1ccc2oc(O)nc2c1 534634242 MJEHODJWXHPHKH-QMMMGPOBSA-N 297.336 0.516 0 50 CCAA O=C1OC[C@H]2CN(Cc3nc(-c4ccco4)no3)CCN12 370568236 HOOPPGQAUNSAIL-SECBINFHSA-N 290.279 0.966 0 50 CCAA Cc1ncn(C)c1C(=O)NC[C@H]1CCCN(CCO)C1 299764357 UUNDCVJPDFEKTG-GFCCVEGCSA-N 280.372 0.163 0 50 CCAA CCO[C@@H](C)CNC(=O)CN(C)C1CCNCC1 823288992 OFFJYVNUYQFRQK-NSHDSACASA-N 257.378 0.211 0 50 CCAA O=C(NCCN1CCCC[C@H]1CO)c1cccc(O)n1 828710804 GQSPATSXKNICFF-NSHDSACASA-N 279.340 0.364 0 50 CCAA Cn1nc(C(=O)N[C@@]23COC[C@@H]2C3)cc1C(F)(F)F 1411546618 KTORQGLUGCZPPB-WKEGUHRASA-N 275.230 0.958 0 50 CCAA COc1cccc(C(=O)N[C@@H]2CNCC[C@@H]2O)c1OC 1565510151 DRSWYKHCFUUKPO-MNOVXSKESA-N 280.324 0.156 0 50 CCAA COCC1(O)CCN(C(=O)[C@@H]2O[C@H](C)C[C@@H]2C)CC1 407967218 RIPRLNZNXLQEAN-QJPTWQEYSA-N 271.357 0.800 0 50 CCAA CCN1CCN(CC(=O)NC(C)(C)C)C(C)(C)C1=O 186541818 KWPMWECMWMUESN-UHFFFAOYSA-N 269.389 0.844 0 50 CCAA C[C@H]1CS(=O)(=O)CCN1C(=O)COCC1CC1 170635404 OREYDGUPOVPQQT-VIFPVBQESA-N 261.343 0.059 0 50 CCAA CC(=O)NC1CN(C(=O)Cn2c(C)nc3ccccc32)C1 190494547 SCIJNVLUPUGGCL-UHFFFAOYSA-N 286.335 0.692 0 50 CCAA CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](N)C2)cc1 191343746 OSIREJPGVOCLTC-CQSZACIVSA-N 275.352 0.886 0 50 CCAA CSC[C@H](C)C(=O)N1CCN(CC(F)(F)CO)CC1 585130069 GSQDDQOWBHNKBH-JTQLQIEISA-N 296.383 0.757 0 50 CCAA O=S(=O)(N1CCCCCC1)N1CC[C@H]2CC[C@@H](C1)N2 65396055 MZQSEHYFUDYVBD-OLZOCXBDSA-N 287.429 0.934 0 50 CCAA CN(C[C@@H](O)CF)[C@@H]1CCCN(c2cccnn2)C1 1615587068 AXLNEZVUOSJELD-NEPJUHHUSA-N 268.336 0.708 0 50 CCAA COC(=O)N1CCc2nc(N3CCN(C)CC3)ncc2C1 1615585378 DHAJLYPOGNNAND-UHFFFAOYSA-N 291.355 0.353 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)c1cnn(CC(C)C)c1C 1615629128 GMAZURANWIGPIY-QWHCGFSZSA-N 280.372 0.564 0 50 CCAA COc1cc(C(=O)N2CCC([C@@H](O)CO)CC2)ccn1 1772709115 GYERBZUHNSBBGM-LBPRGKRZSA-N 280.324 0.296 0 50 CCAA COCCn1cnnc1[C@@H](C)Nc1cc(OC)nc(N)n1 1529133830 CODSZOCENDEOKN-MRVPVSSYSA-N 293.331 0.478 0 50 CCAA CC1CCN(C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)CC1 225673089 SQKQOTLWSAGPAN-KKOKHZNYSA-N 265.309 0.899 0 50 CCAA CC(C)c1csc(C(=O)N2C[C@@H]3C[C@H]2C(=O)N3)n1 1857732367 NKKQPQLSAOMICA-CBAPKCEASA-N 265.338 0.979 0 50 CCAA CCc1cc(NC(=O)N2CC[C@H](CO)C2)n(C)n1 408217661 ZVJZULBAOJNGTP-VIFPVBQESA-N 252.318 0.829 0 50 CCAA C/C=C/Cn1c(=O)c2c(nc3n(C)c(C)cn23)n(C)c1=O 11692428 IMADDXJVEYMXFQ-AATRIKPKSA-N 287.323 0.571 0 50 CCAA COc1cccc(C[C@H]2CN(S(C)(=O)=O)CCO2)c1 11840573 XNYAOIRSWPAHHI-ZDUSSCGKSA-N 285.365 0.898 0 50 CCAA Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCOCC1 19340060 MUPJNWKQMVBCLR-UHFFFAOYSA-N 260.293 0.814 0 50 CCAA CN1C(=O)[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 169304589 CKMSWRIKDHFUHM-RVMXOQNASA-N 282.299 0.819 0 50 CCAA CCN=c1ccnc(N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)[nH]1 1857669500 BXMHSUZSWMGJJS-IINYFYTJSA-N 292.339 0.258 0 50 CCAA O=C1C[C@H]2CN(C(=O)c3ccccc3-n3cncn3)C[C@H]2N1 1857695829 ZNEAUEUWMJTRDW-CMPLNLGQSA-N 297.318 0.228 0 50 CCAA Cc1cc(C(=O)N2CC[C@](O)(Cn3ccnn3)C2)c(C)o1 671500220 ZDEXMCGJQYACKT-CQSZACIVSA-N 290.323 0.765 0 50 CCAA O=C(c1cc(F)c[nH]1)N1CCC[C@H](N2CCNC2=O)C1 549640977 NDXPQWIRSKRGEV-JTQLQIEISA-N 280.303 0.784 0 50 CCAA CCN(C)c1cc(N2CCO[C@@H](C(=O)O)C2)ncn1 259000187 DZEBFJFZPWXILF-SECBINFHSA-N 266.301 0.223 0 50 CCAA CC(=O)N1CCO[C@H](C(=O)Nc2c3c(nn2C)CCC3)C1 930591678 KLRCZGZJQIIBMT-LBPRGKRZSA-N 292.339 0.095 0 50 CCAA CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cnn[nH]1 935598747 UXMACPKMQUYUPK-MRVPVSSYSA-N 265.317 0.780 0 50 CCAA C=CC(=O)Nc1cccc(CN2CCNC(=O)C2)c1 863971570 YZADJPULDPTAFC-UHFFFAOYSA-N 259.309 0.743 0 50 CCAA O=C(N[C@H]1CCO[C@H]1c1nc[nH]n1)c1ccncc1F 952888970 SOBIQJDLOXGPQP-VHSXEESVSA-N 277.259 0.599 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1N1C(=O)N[C@H](CC(F)F)C1=O 1875271223 GXDSRNAMZYKCEK-RRKCRQDMSA-N 275.255 0.229 0 50 CCAA Cc1nc(N(C)Cc2nc(O)n[nH]2)c2c[nH]nc2n1 1875335239 XXSMMUNJZUHUDM-UHFFFAOYSA-N 260.261 0.121 0 50 CCAA CC(C)(C)n1cc(CN2C[C@@H]3CCCN3C[C@@H]2CO)nn1 880072847 MWOQFAQJCNTKBG-UONOGXRCSA-N 293.415 0.674 0 50 CCAA O[C@H](CN1CCO[C@H]2CCCC[C@H]21)Cn1cccn1 247751305 AWOHLRJBHMHKEK-MCIONIFRSA-N 265.357 0.887 0 50 CCAA COCCCNC(=O)c1ccc(-n2cnnn2)cc1 20427673 JTVHEQQNIYDZDM-UHFFFAOYSA-N 261.285 0.429 0 50 CCAA CO[C@H](C(=O)N1CCCC[C@@H]1C(=O)O)[C@H]1CCOC1 656472741 ANQQITKAZNBERS-AXFHLTTASA-N 271.313 0.504 0 50 CCAA Cc1nscc1C(=O)N1CCO[C@@H](C(=O)O)C1 190976128 NKESMXPGFICGOB-MRVPVSSYSA-N 256.283 0.377 0 50 CCAA OCC1(CN2CC[C@@H](Oc3ccncc3)C2)COC1 305113962 JDIOYHGZTNHXTE-CYBMUJFWSA-N 264.325 0.544 0 50 CCAA CCc1nc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)c(C)o1 336558029 JDIWUWYMBBHFQU-VXNVDRBHSA-N 265.313 0.942 0 50 CCAA Cc1cc(C)nc(CCNC(=O)[C@@H]2CN(C)CC[C@@H]2O)n1 2100555276 OWGKBMBYTATFAX-OLZOCXBDSA-N 292.383 0.065 0 50 CCAA O=C1C[C@@H](CNC(=O)c2n[nH]cc2-c2ccncc2)CN1 2325798060 KUOOMLZAFKYOTQ-SECBINFHSA-N 285.307 0.338 0 50 CCAA O=C(NC1CCNCC1)c1ccc(-c2cn[nH]c2)cn1 876503052 XPHLIRUSGARETR-UHFFFAOYSA-N 271.324 0.954 0 50 CCAA C[C@@]1(O)CCN(C(=O)COc2ccc(F)cc2)C[C@@H]1O 96166978 BOOZHCOIWBSSCP-GXTWGEPZSA-N 283.299 0.549 0 50 CCAA CC(=O)OCCSc1nc(N(C)C)nc(N(C)C)n1 2475627 YAYVJHGVOQFOAJ-UHFFFAOYSA-N 285.373 0.659 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)CCc2ccccc2)CC1 4749633 LPVNNCVGKXMING-UHFFFAOYSA-N 296.392 0.723 0 50 CCAA CC(C)N(CC(=O)O)S(=O)(=O)c1c(Cl)cnn1C 227866437 KRNBPDRWNWOSLJ-UHFFFAOYSA-N 295.748 0.557 0 50 CCAA CC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1nc(C)ns1 55326838 HMVDUKZZGRTUFX-MRVPVSSYSA-N 283.357 0.931 0 50 CCAA CC(C)(C)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 119510814 HEBAQJJFIXJMEF-FSZOTQKASA-N 276.336 0.708 0 50 CCAA Cc1cc(C(=O)Nc2ccc(C(N)=O)nc2)cnn1 345929416 PAFVFVMPUKFKIV-UHFFFAOYSA-N 257.253 0.531 0 50 CCAA Cc1nc(C(=O)N[C@@H](C)Cn2cncn2)cs1 66317501 CAZPECBSHAVYEX-ZETCQYMHSA-N 251.315 0.862 0 50 CCAA C[C@@H]1CC(=O)c2cnc(NCCN3CCOCC3)nc2C1 20101115 APGOYVKMUOUMSU-NSHDSACASA-N 290.367 0.986 0 50 CCAA NC(=O)c1ccnc(N2CCN(Cc3cccnc3)CC2)c1 64337617 CNBUELOIAXIBJU-UHFFFAOYSA-N 297.362 0.898 0 50 CCAA O=C(Cc1nnn[nH]1)NC1(CN2CCCC2)CCCCC1 67842673 HAMFQUOFRZBDJA-UHFFFAOYSA-N 292.387 0.657 0 50 CCAA Cc1n[nH]c(C)c1CN1C[C@@H](N)C[C@H]1C(=O)NC(C)C 67819209 IUPSRAWRGYNXJE-AAEUAGOBSA-N 279.388 0.453 0 50 CCAA CC1(C)O[C@H]2CO[C@@]3(COC(C)(C)O3)C(=O)[C@H]2O1 71773452 IVWWFWFVSWOTLP-YVZVNANGSA-N 258.270 0.585 0 50 CCAA O=C(Nc1nccs1)N1CCN2CCOC[C@H]2C1 363797462 OXJNBJJYJSZUKZ-SECBINFHSA-N 268.342 0.691 0 50 CCAA Cc1ccsc1CN(C)C(=O)CN1CCC(=O)NC1=O 330379456 STSWFLZUAMSCNS-UHFFFAOYSA-N 295.364 0.957 0 50 CCAA O=C(NCCCCCN1CCOCC1)c1cnc[nH]c1=O 219948715 KOSBAGMGSVOEPO-UHFFFAOYSA-N 294.355 0.002 0 50 CCAA C[C@H](C(=O)O)C(=O)Nc1cncnc1N1CCCC1 263545337 GMXVKIQODLUODC-QMMMGPOBSA-N 264.285 0.736 0 50 CCAA C[C@@H]1CN(C(=O)Cc2ccc3[nH]ncc3c2)C[C@H]1C(N)=O 285403971 HBOYJAHFKSIBKH-BXKDBHETSA-N 286.335 0.685 0 50 CCAA COC[C@@H](c1ccccn1)N(C)C(=O)NCCC(N)=O 426443046 SCSBAUUMJNQRBD-NSHDSACASA-N 280.328 0.286 0 50 CCAA Cc1cc(C(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)nc(C)n1 426419727 ISBMZUYKJXFMNX-XCCSTKFXSA-N 291.351 0.297 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cscn1 91769461 WSLANDKSLBTWKM-SCZZXKLOSA-N 254.359 0.181 0 50 CCAA CCOCCN1CCN(c2nc(N)ncc2CC)CC1 95359199 DBKDMROMBNYNDJ-UHFFFAOYSA-N 279.388 0.780 0 50 CCAA Cc1nnc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)s1 91526510 ZQSABOHWKGIDNV-VIFPVBQESA-N 282.369 0.880 0 50 CCAA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2cccc(N)n2)CC1 247917628 BQOQXYOYGLMVHG-XYPYZODXSA-N 290.367 0.946 0 50 CCAA CSCCN(C)Cc1nnc([C@H]2C[C@@H](N)C2)n1C 244795875 ROYGSJYQRMOJJV-AOOOYVTPSA-N 269.418 0.815 0 50 CCAA Cc1cccc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)n1 624422773 HEKXRPRVPYOPOR-CHWSQXEVSA-N 274.324 0.752 0 50 CCAA O=C(O)CCNC(=O)c1ccccc1N1CCOCC1 299746541 YBOGONGOVUAUPX-UHFFFAOYSA-N 278.308 0.728 0 50 CCAA C[C@@H]1CCC[C@H](OCC(=O)N2CCOC[C@@H]2C(=O)O)C1 299749258 JSINQIABTHJPHF-GRYCIOLGSA-N 285.340 0.894 0 50 CCAA Cc1nc(C)c(CC(=O)NCCn2cncn2)s1 534582602 PJBQAIFHLDMEAA-UHFFFAOYSA-N 265.342 0.710 0 50 CCAA CC(=O)N[C@H]1C[C@H](C(=O)N2CCC(C)(C)CC2)C[C@@H]1O 1940197625 DHLFBEBEULYYSW-AVGNSLFASA-N 282.384 0.911 0 50 CCAA CN(C)S(=O)(=O)NCCc1noc(C(F)(F)F)n1 823725425 OVPHAXOJSRVWLJ-UHFFFAOYSA-N 288.251 0.027 0 50 CCAA CCCCS(=O)(=O)N[C@H]1CN(C)C[C@@H]1OC 822880418 LZKBUQGMACLHBL-UWVGGRQHSA-N 250.364 0.035 0 50 CCAA O=C(CN1CCC[C@@H](O)C1)NCCc1nc(C2CC2)no1 584892714 FXIMGAQJMAIMJD-LLVKDONJSA-N 294.355 0.062 0 50 CCAA COc1ccc(C[C@@H]2NC(=O)[C@H](C)N(C)C2=O)cc1 824673643 ITUTWIQAIRYNAP-CABZTGNLSA-N 262.309 0.583 0 50 CCAA CN(C)C1CCN(C(=O)[C@H]2CSC(C)(C)C(=O)N2)CC1 584891321 KQPJBUHESCTUDC-LLVKDONJSA-N 299.440 0.549 0 50 CCAA Cc1c([C@H](C)NC(=O)CSc2nnnn2C)cnn1C 584890905 OMHBPZPGHIBWER-ZETCQYMHSA-N 295.372 0.222 0 50 CCAA O=C1CC[C@H](C(=O)NC2(CO)CCCCCC2)NC(=O)N1 584887845 BMUKCXOMSFOBBH-SNVBAGLBSA-N 297.355 0.176 0 50 CCAA CC[C@H](C(=O)NCCC(=O)N1CCCC1)N(C)CC 952868560 CCYFLFFTSWLLAL-GFCCVEGCSA-N 269.389 0.845 0 50 CCAA CCC(=O)N[C@@H]1CCCC[C@@H]1n1cc(C(=O)O)nn1 1551460763 UKBLEDFSHQCVPG-SCZZXKLOSA-N 266.301 0.986 0 50 CCAA C[C@@H]1CCN(C(=O)CC[C@]2(C)CCC(=O)N2)C[C@@H]1O 408187801 AFYBAESXTSMUIJ-SUNKGSAMSA-N 268.357 0.665 0 50 CCAA O=C(COC[C@@H]1CCOC1)N(C[C@H]1CCCN1)C1CC1 186548848 NMIHMULMVQUKSG-CHWSQXEVSA-N 282.384 0.783 0 50 CCAA CCO[C@@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1CO 585113767 GSTHHOBDBDXKMN-ZIAGYGMSSA-N 278.352 0.870 0 50 CCAA C[C@@H]1CCC[C@H](NC(=O)COC(=O)[C@@H]2COCCO2)[C@@H]1C 170621041 ORDUZGFPWKMNGQ-NDBYEHHHSA-N 299.367 0.886 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)CC(F)(F)F)C1 644034074 HZZHFGMWUFJUPG-JTQLQIEISA-N 282.262 0.428 0 50 CCAA COc1cccc([C@@H]2CN(Cc3nnn(C)n3)CCO2)c1 194448436 MMXJSRGYEZDBTI-ZDUSSCGKSA-N 289.339 0.792 0 50 CCAA COc1ccc(CCNC(=O)[C@@H]2CNC(=O)O2)cc1F 1615556904 IEVKRLLQGOLRGW-NSHDSACASA-N 282.271 0.601 0 50 CCAA COCCN1C[C@H](C(=O)Nc2cn(C)nc2C)CCC1=O 1506408533 MXQWNFNELUUGSL-LLVKDONJSA-N 294.355 0.552 0 50 CCAA CCS(=O)(=O)N1CCN(c2nncc(C)c2C)CC1 1857679325 UKHBNTDJJUSEJX-UHFFFAOYSA-N 284.385 0.565 0 50 CCAA CCc1nc(=NCCCc2ncnn2C)s[nH]1 521398442 HIBNCEHZGGHITM-UHFFFAOYSA-N 252.347 0.696 0 50 CCAA CN1CC[C@@H]2CN(C(=O)c3cnc(N)s3)C[C@@H]2C1=O 1772813091 VPLAGCXQTALIQJ-SFYZADRCSA-N 280.353 0.276 0 50 CCAA C[C@@H](NS(=O)(=O)c1cn(C)cn1)c1cnn(C)c1 266170569 JHYOTHWLTVYLOP-MRVPVSSYSA-N 269.330 0.193 0 50 CCAA C[C@H](O)c1cn(C2CCN(c3cnccn3)CC2)nn1 19224392 UPCHUKQNMLNTRX-JTQLQIEISA-N 274.328 0.963 0 50 CCAA CN1C(=O)CCO[C@H]2CN(C(=O)Cc3cccnc3)C[C@@H]21 1857710843 SJYHRJSAUYNDQU-STQMWFEESA-N 289.335 0.082 0 50 CCAA Cn1cc(CCC(=O)N[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)cn1 923205348 BEWIETHOUZONFJ-WHOHXGKFSA-N 277.324 0.578 0 50 CCAA CC(=O)N[C@@H]1CCN(C(=O)c2n[nH]cc2C)C[C@@H]1C 945323269 XAZKOTRUMICJFO-GXSJLCMTSA-N 264.329 0.705 0 50 CCAA O=C(N=c1[nH]ncs1)N1CC[C@@H](c2ncc[nH]2)C1 1875269382 KNALUNHGTPPAMQ-SSDOTTSWSA-N 264.314 0.705 0 50 CCAA COC[C@H](CO)NC(=O)c1ccc(C(=O)O)cc1Cl 1875277231 FDNCMSTYYFKOOC-QMMMGPOBSA-N 287.699 0.775 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)c1ccnc(C2CC2)c1 1875258962 MNFVFMJXJJUXKA-UHFFFAOYSA-N 273.296 0.755 0 50 CCAA O=C([C@@H]1C[C@@H]1c1nc(C(F)(F)F)no1)N1CC(O)C1 1875307153 UZBYAKPMWWFELD-NTSWFWBYSA-N 277.202 0.395 0 50 CCAA C[C@@H]1C[C@]2(C(=O)NCCc3cc(C(=O)O)n[nH]3)C[C@H]12 1875307298 MVUZWERLTNLQQS-JPVBRFOXSA-N 263.297 0.813 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N2CC3(CCOC3)C2)C1=O 886078078 KLMUXILBEUQNAR-GFCCVEGCSA-N 296.367 0.263 0 50 CCAA Cc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2)ccc1F 150810821 QNNQAZAGRIVSGF-JQWIXIFHSA-N 252.289 0.473 0 50 CCAA C[C@@H]1C[C@H](C(=O)N2CCOC[C@H]2C(=O)O)CCO1 257702876 PDABKWATEKEEDB-BBBLOLIVSA-N 257.286 0.114 0 50 CCAA Cc1cn(CCN[C@@H]2CCOC3(CCOCC3)C2)nn1 82096595 JYOLEYWKNBQSBK-CYBMUJFWSA-N 280.372 0.904 0 50 CCAA CC(C)c1nccc(N2CC[C@](O)(C(N)=O)C2)n1 376998845 DWZMAMHRWDXKAO-GFCCVEGCSA-N 250.302 0.027 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N1C[C@H]2[C@H](O)C[C@H]2C1 2325757106 UGIJFAFVTCIGIO-DJLDLDEBSA-N 280.353 0.682 0 50 CCAA Cn1cc(C2CCN(C(=O)CCc3nn[nH]n3)CC2)cn1 2325760101 SXOXDSJBSZAVBN-UHFFFAOYSA-N 289.343 0.272 0 50 CCAA CN1C(=O)CC[C@@H]1CNC(=O)C[C@@H]1CCCNC(=O)C1 2325789991 ASCGETDRDMCBAR-GHMZBOCLSA-N 281.356 0.030 0 50 CCAA O=C(N1Cc2ccccc2C1)N1CC(c2nc(=O)o[nH]2)C1 2325805112 PZYLOCGVTIKVRG-UHFFFAOYSA-N 286.291 0.898 0 50 CCAA NC(=O)C1CCN(c2cc(Cl)nc(N)n2)CC1 1398298 REKVAPJPSBOFRW-UHFFFAOYSA-N 255.709 0.414 0 50 CCAA CC(C)(C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 2457903 BAFKNUZNPLEHKV-UHFFFAOYSA-N 296.348 0.746 0 50 CCAA COC(=O)c1nc(NC(=O)c2ccc(F)cc2)n[nH]1 6372148 CYAQTWKBNHAHHY-UHFFFAOYSA-N 264.216 0.983 0 50 CCAA CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1 6730269 VDAUHLZHJLIURY-MRVPVSSYSA-N 273.310 0.837 0 50 CCAA CN1CCC[C@@H](CNC(=O)CNC(=O)c2ccccc2)C1 108462333 HXSDYTIHDQXGFT-ZDUSSCGKSA-N 289.379 0.874 0 50 CCAA Cc1nc(COC(=O)C[C@H](C)N2CCCCC2=O)n[nH]1 225528594 VPEBRFRFEUSROY-VIFPVBQESA-N 280.328 0.947 0 50 CCAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)N1 25722099 XLRSOFARHRPJAA-UHFFFAOYSA-N 254.286 0.768 0 50 CCAA CNC(=O)CCN(C)c1cc([C@H]2CCCNC2)nc(C)n1 67934938 RKQOXUFEJOCXTJ-LBPRGKRZSA-N 291.399 0.824 0 50 CCAA Cc1cc(C(=O)N2CCOCC2)ccc1N(C)CC(=O)O 430667301 NDALQLSYQPYPFQ-UHFFFAOYSA-N 292.335 0.988 0 50 CCAA C[C@@H]1C[C@H](N2CCC[C@@H](Cn3cncn3)C2)C(=O)O1 229477363 NDBDPBMMWXOJLU-UTUOFQBUSA-N 264.329 0.694 0 50 CCAA CN(Cc1ccccc1)c1cnn(CCC(N)=O)c(=O)c1 72155954 REGOBJIEKWXQAN-UHFFFAOYSA-N 286.335 0.755 0 50 CCAA CO[C@H]1C[C@@H](C(=N)O)N(CC(=O)NCC2CCC2)C1 331544860 HAVVDHBKCPKAEW-QWRGUYRKSA-N 269.345 0.527 0 50 CCAA CSCc1noc(CNC(=O)c2nc(C)c[nH]2)n1 219579007 KSCNUACZBQOQLR-UHFFFAOYSA-N 267.314 0.894 0 50 CCAA O=C(c1cccc(-n2cnnn2)c1)N1CC([C@@H]2CCOC2)C1 377413853 UUMORIGDXKENQL-GFCCVEGCSA-N 299.334 0.771 0 50 CCAA Nc1ncccc1CN1CCC2(CC1)[C@@H](O)C[C@H]2O 219554487 GRIKWGDYDYODGH-TXEJJXNPSA-N 263.341 0.372 0 50 CCAA COc1ccccc1CCN(C)C(=O)[C@H]1COCCN1 237151393 JGTUCFLHVPQYAH-CYBMUJFWSA-N 278.352 0.685 0 50 CCAA COc1nccc(NC(=O)N[C@@H]2CCCCNC2=O)n1 282547900 CHXDWVHWHUJSKA-MRVPVSSYSA-N 279.300 0.275 0 50 CCAA CN1CCC[C@H](CNS(=O)(=O)N2CCCC2)C1 518666100 XQNNIGBNBNXTRI-LLVKDONJSA-N 261.391 0.258 0 50 CCAA COCCN1CC[C@H](CNC(=O)CN2CCC(C)CC2)C1 136158109 PBJHFAHSCYUWCU-OAHLLOKOSA-N 297.443 0.803 0 50 CCAA Cc1cc(=O)c(C(=O)NC(C)(C)C(=O)N(C)C)c(C)[nH]1 426401529 BJGIKCWGPAGMEG-UHFFFAOYSA-N 279.340 0.588 0 50 CCAA O=C(N[C@H](CO)CN1CCCCC1)c1ccnc(O)c1 288541792 OWWZVBANDITKCX-LBPRGKRZSA-N 279.340 0.364 0 50 CCAA Cc1cccnc1CNC(=O)NC1(C(N)=O)CCCC1 426705715 OXIMBTCRPQXFGF-UHFFFAOYSA-N 276.340 0.987 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C)C2 91626136 HSPUBXSGVYAISR-VXGBXAGGSA-N 298.412 0.741 0 50 CCAA COCCC[C@@]1(CO)CCCN(CCC(=O)O)C1 91586586 LBTRGMPOFORXHM-ZDUSSCGKSA-N 259.346 0.962 0 50 CCAA C[C@H](NC(=O)[C@H](C(=O)O)C(C)(C)C)c1nnc[nH]1 230436754 PEYIJHSHWMPVOI-NKWVEPMBSA-N 254.290 0.729 0 50 CCAA CCn1nc(C)c(NC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)c1C 96132876 SBDPIYIKFUDJLW-SSDOTTSWSA-N 293.331 0.814 0 50 CCAA Cc1nc(C)n(CCCNC(=O)CCC(=O)O)n1 534666226 NDVLUVQNVRVYJA-UHFFFAOYSA-N 254.290 0.266 0 50 CCAA O=C(NC[C@@H]1CCNC[C@H]1O)c1cc(O)ccc1F 534653645 BKUHBPAJVHWQOM-QPUJVOFHSA-N 268.288 0.232 0 50 CCAA Cc1cnc(CNC(=O)CN2C[C@H](C)O[C@H](C)C2)cn1 299760084 QTHZBDHZKRVJLD-TXEJJXNPSA-N 278.356 0.510 0 50 CCAA CC(C)(CN1CCCC1)CN1CC[C@H](O)[C@@H](O)C1 828895261 QHTQSZWKBDUVPH-STQMWFEESA-N 256.390 0.536 0 50 CCAA CCn1cnnc1[C@@H](C)NC(=O)Cn1cc(C)cn1 584895033 GYEMLXOQMOFKGL-SNVBAGLBSA-N 262.317 0.680 0 50 CCAA Cc1cc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)nc(C)n1 584889460 ZJYQQUGJZXTNJR-STQMWFEESA-N 279.340 0.704 0 50 CCAA COc1ccc2ncn(C[C@@H](O)CN(C)C)c(=O)c2c1 584902295 QOXCSCVSAMIDLB-JTQLQIEISA-N 277.324 0.328 0 50 CCAA C[C@@H](NC(=O)N1CCOCC1)c1nnc(N)s1 584897128 BLVDZLHSVARPTP-ZCFIWIBFSA-N 257.319 0.223 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1C1CC1 1550374024 FWDDWDBGLMEBBQ-NEPJUHHUSA-N 277.324 0.912 0 50 CCAA COCCN1CCC(CN(C)S(=O)(=O)N(C)C)CC1 952986954 CBYCMBFAFSNMTC-UHFFFAOYSA-N 293.433 0.083 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)CCc1cnn(C)c1C 270188414 ABPSAVRNHLBZBO-ZDUSSCGKSA-N 292.383 0.788 0 50 CCAA Oc1cc(CN2CCN(Cc3nc[nH]n3)CC2)ccn1 639723238 DHQNELROVVSPEB-UHFFFAOYSA-N 274.328 0.223 0 50 CCAA Cn1nnnc1CCNC(=O)N1CCC[C@@H]1[C@@H]1CCCO1 671210649 VQNLZARVBSGDTJ-MNOVXSKESA-N 294.359 0.106 0 50 CCAA CN(C)[C@@H]1CCN(CCn2cc(-c3ccncc3)nn2)C1 656444103 WPBPPCBKLYHTLS-CQSZACIVSA-N 286.383 0.976 0 50 CCAA Cc1onc(N)c1S(=O)(=O)N1CCCOC12CCC2 1615604937 HDIQRKZBPJIJCR-UHFFFAOYSA-N 287.341 0.856 0 50 CCAA Cn1ncc2c(N3CCC4(CC3)CNC(=O)O4)ncnc21 1646359699 BKBFEXVQRCPUOU-UHFFFAOYSA-N 288.311 0.442 0 50 CCAA COCCOCC(=O)O[C@@H](C)C(=O)O[C@H](C)C(C)=O 1501018286 ZKYMRMZNNKZACT-ZJUUUORDSA-N 276.285 0.102 0 50 CCAA CC(C)(C)[C@H]1CN(C(=O)[C@H]2CCCN2C=O)CCO1 408522774 DDZBONZQTUHSCE-VXGBXAGGSA-N 268.357 0.881 0 50 CCAA CNC(=O)NCC(=O)N1CCC[C@H]1c1cc(C)no1 332379543 OCQXWKUSPIXQPE-VIFPVBQESA-N 266.301 0.576 0 50 CCAA COc1ccnc(CSc2nnc(CN)n2C)c1OC 232196789 BOXTVFMGYVWPBP-UHFFFAOYSA-N 295.368 0.978 0 50 CCAA O=C1C[C@H](N2CCOCC2)C(=O)N1c1ccccc1 19535099 RSWJDTMHFVKAAO-LBPRGKRZSA-N 260.293 0.651 0 50 CCAA CC(=O)NCC(=O)N1CCO[C@H](Cc2ccc(F)cc2)C1 19741811 YDQQDWQDNFJZDN-CQSZACIVSA-N 294.326 0.732 0 50 CCAA CCN(C(=O)CNc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1857691189 ZIXHSMRGOSPDBJ-GFCCVEGCSA-N 297.380 0.529 0 50 CCAA CCN1CCC(N(C)S(=O)(=O)C[C@@H](C)OC)CC1 225671747 OEFUKGUYEURCQL-LLVKDONJSA-N 278.418 0.767 0 50 CCAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1nn[nH]n1 630940532 HSSRUXQHGQFDBR-GHMZBOCLSA-N 278.360 0.218 0 50 CCAA Cc1cc(C)cc(N2CC[C@@H](C(=O)NCC(=O)O)C2=O)c1 237836942 TVOUIEWPGYTOBX-LBPRGKRZSA-N 290.319 0.857 0 50 CCAA COc1cnc(C(=O)N2CC[C@@H](N3CCCC3)C2)nc1 550504475 HHIGQVVNVMAEGU-LLVKDONJSA-N 276.340 0.796 0 50 CCAA C[C@@H](CNC(=O)c1nn(C)c2ccccc2c1=O)N(C)C 348704499 RHRNCLANTFLKHT-JTQLQIEISA-N 288.351 0.613 0 50 CCAA COCc1nc(C(=O)N[C@@H]2CCC(=O)NC2(C)C)co1 670005813 JDLYKQTXRQVKNW-SECBINFHSA-N 281.312 0.608 0 50 CCAA Cc1cc(CC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)no1 583325374 JYVAVSSYNCQYJG-DCAQKATOSA-N 264.281 0.990 0 50 CCAA O=C(N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cc2cccnc2[nH]1 909187543 OSKNDQHQRHKCEB-RAIGVLPGSA-N 297.318 0.864 0 50 CCAA O=C(c1cn2cccnc2n1)N1CC[C@]12CCOC2 1120748859 GKFSCEZILZOYAP-CYBMUJFWSA-N 258.281 0.734 0 50 CCAA O=C(c1ccc(-n2cccc2)nc1)N1CC[C@@](O)(CO)C1 1875286606 XGZYKOQWIIFNKD-HNNXBMFYSA-N 287.319 0.442 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(C)(CO)C3)nn(C)c21 1875300206 QZNPMKJRPCAYIB-ZJUUUORDSA-N 293.367 0.897 0 50 CCAA CC(C)NC(=O)N1CCN(C(=O)C23CC2C3)CC1 1875362033 MUTOCTBQSFPHNJ-UHFFFAOYSA-N 251.330 0.659 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@@H]1CCCc2nccn21 1875377359 YCPJHKDJXCOECQ-NTYUQYKDSA-N 262.357 0.995 0 50 CCAA O=C1CC[C@H](N2Cc3c(C(=O)O)cccc3C2=O)C(=O)N1 1772717635 SHMKKELLXFZKLY-JTQLQIEISA-N 288.259 0.146 0 50 CCAA CCN1CCOC[C@@H]1CC(=O)N(C)C[C@@H](O)C1CC1 1775998086 RMVVNPLLSLYQRQ-QWHCGFSZSA-N 270.373 0.327 0 50 CCAA Cc1cnc(N[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)nc1 1776005929 QJLGQKUHHMCLSH-GFCCVEGCSA-N 289.383 0.892 0 50 CCAA CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc(CO)cc1 148076850 NNWYWNRCBPYLML-GWCFXTLKSA-N 293.367 0.605 0 50 CCAA Cc1c(CN(C)CC2(CO)CCOCC2)cnn1C 97117136 UGHBATREXZGAQA-UHFFFAOYSA-N 267.373 0.949 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 630254645 BELRAIZLPUWBDC-KEPMVKOISA-N 253.298 0.735 0 50 CCAA O=C1C[C@H](CC(=O)Nc2ccc(O)c(=O)cc2)CCCN1 2325810417 JWBUUWZWJALGNW-SNVBAGLBSA-N 290.319 0.997 0 50 CCAA CS(=O)(=O)Cc1cn(Cc2ccccn2)nn1 2325840266 VTOHWUCKGUHONB-UHFFFAOYSA-N 252.299 0.266 0 50 CCAA CNC(=O)N(O)[C@@H]1N(C)C(=O)N(C(C)C)C1(C)C 206900 FSHFSOWBMGSXJK-QMMMGPOBSA-N 258.322 0.898 0 50 CCAA CC(C)OC(=O)[C@H]1[C@H]2O[C@@H]3C=C[C@H](O)[C@@H](C[C@@H]2O)[C@@H]31 4831209 MKDLWWZQFRZOGY-MJIVVXSKSA-N 268.309 0.249 0 50 CCAA Cc1cc(C(=O)NCCN2CCOCC2(C)C)no1 170860999 PJEIHXKHZAEDKD-UHFFFAOYSA-N 267.329 0.824 0 50 CCAA C[C@@H](CN(C)C(=O)[C@@H]1CCC(C)(C)O1)c1nn[nH]n1 330315773 PSFLOGSZDDEYQI-IUCAKERBSA-N 267.333 0.719 0 50 CCAA O=C(Cc1ccc(Cl)cc1)NCCc1nc(=O)o[nH]1 280123007 OOTPSYLRPRIGKK-UHFFFAOYSA-N 281.699 0.918 0 50 CCAA O=C(Cn1ccccc1=O)N1CC[C@]2(CCCOC2)C1 375375268 CCPAOFWTKAUTCN-OAHLLOKOSA-N 276.336 0.877 0 50 CCAA CC(C)Nc1ccnc(N2CCN(C)[C@H](CCO)C2)n1 72463575 GCHRAAMIHLMJSS-GFCCVEGCSA-N 279.388 0.800 0 50 CCAA CCCS(=O)(=O)CC(=O)N1CCC[C@@H](C)[C@@H]1CN 236782542 HACYJDGDTLOBET-MNOVXSKESA-N 276.402 0.397 0 50 CCAA CC[C@H](C(=O)O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 236875993 APZAZQJXQOQSOY-CMPLNLGQSA-N 283.372 0.134 0 50 CCAA CC[C@H](NS(=O)(=O)c1ccccc1C(=O)O)C(=O)O 71772856 ZSZRAZFBMCPXTN-QMMMGPOBSA-N 287.293 0.526 0 50 CCAA CCc1nc(N2CCN(C)[C@H](CCO)C2)ncc1C 72448093 SPEHGZKYPCHLTP-GFCCVEGCSA-N 264.373 0.850 0 50 CCAA CC(=O)c1[nH]c(C)c(C(=O)N2CCOC[C@@H](O)C2)c1C 77337477 IDEKHCNFHZHLRP-NSHDSACASA-N 280.324 0.667 0 50 CCAA Cc1noc(C)c1C(=O)N1CCc2nc[nH]c2[C@H]1C(=O)O 72477017 ZPQHZGYUBBKXKA-NSHDSACASA-N 290.279 0.839 0 50 CCAA O=C(NCc1ccccc1F)N[C@@H]1CCOC[C@H]1O 222606644 NXPAOVSEZABTFR-VXGBXAGGSA-N 268.288 0.775 0 50 CCAA COCCc1noc(CNC(=O)c2cc(=O)cc(C)o2)n1 223905545 MBIIVZAXFYEZOC-UHFFFAOYSA-N 293.279 0.450 0 50 CCAA CN1C(=O)C[C@H](C(=O)NCCc2cnn[nH]2)c2ccccc21 426606707 GPXPUSLQFDDGHC-LBPRGKRZSA-N 299.334 0.614 0 50 CCAA O=C(Cc1ccccc1F)N[C@H]1COC[C@H]1n1ccnn1 285006150 GQEVSGMIEURONO-QWHCGFSZSA-N 290.298 0.716 0 50 CCAA COC(=O)[C@@H]1COCCN1C(=O)C1[C@@H]2CCC[C@@H]12 228808536 WCXDEWKHVOHSGD-BBBLOLIVSA-N 253.298 0.433 0 50 CCAA NC(=O)C[C@H]1CCCCN1Cc1cnn(CCC(=O)O)c1 97732794 DENUCNGJOCZPBC-GFCCVEGCSA-N 294.355 0.588 0 50 CCAA CN(C[C@@H]1CCCCO1)C(=O)NCc1nc[nH]n1 426436554 MFJFHCZJHNLOTQ-VIFPVBQESA-N 253.306 0.515 0 50 CCAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CC(O)C1 97212981 XBJRVXUFDRJVAG-UHFFFAOYSA-N 283.637 0.909 0 50 CCAA N[C@@H]1CCN(C(=O)c2ccccc2N2CCOCC2)C1 178511632 ZFNOUTJVEMFSDH-GFCCVEGCSA-N 275.352 0.696 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)CCN1CCCC1=O 238065829 ONQDPVLEVBPCSW-SECBINFHSA-N 254.286 0.075 0 50 CCAA Cn1c(CNC2(CO)CCCCC2)nnc1[C@H]1C[C@@H](N)C1 244811434 SCPNUYHTXFOGQG-TXEJJXNPSA-N 293.415 0.805 0 50 CCAA COCCN(CC(=O)O)C(=O)CC[C@H]1CC[C@H](C)O1 299752405 TZVBQNXRERYLSQ-WDEREUQCSA-N 273.329 0.894 0 50 CCAA CCCn1nccc1S(=O)(=O)NCc1cnn(C)c1C 823033389 UXUJYGGDPJUKOZ-UHFFFAOYSA-N 297.384 0.814 0 50 CCAA CCCn1cnnc1[C@@H](C)NC(=O)c1cncn1C 584886259 CQRWDUYPZIFMFF-SECBINFHSA-N 262.317 0.913 0 50 CCAA O=C1Cc2cc(N3C[C@H](C(=O)O)CC3=O)ccc2N1 65505628 VEMKUONUNQVLNZ-MRVPVSSYSA-N 260.249 0.619 0 50 CCAA CC(C)(CN1CCCCCC1)NC(=O)[C@H]1CNC(=O)C1 952969141 HUVQKYBQHNJBQR-GFCCVEGCSA-N 281.400 0.893 0 50 CCAA O=C(CC1CCCC1)NCC1CCN(C[C@@H](O)CO)CC1 952963057 HJBPGRPRZFLBSV-OAHLLOKOSA-N 298.427 0.748 0 50 CCAA Cc1cc(N)n(CC(=O)NCCc2cccnc2)n1 952978354 KZJTVWHDDKWRHY-UHFFFAOYSA-N 259.313 0.528 0 50 CCAA O=C(CC[C@H]1CCCO1)NS(=O)(=O)[C@H]1CCOC1 408389731 NNDRLDWGJOMTKD-ZJUUUORDSA-N 277.342 0.181 0 50 CCAA O=C(CSC[C@H]1NC(=O)NC1=O)NC1CCCCCC1 585118346 LHBZHHIFTKBSLD-SNVBAGLBSA-N 299.396 0.767 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1c[nH]nc1C 643763121 TVZJFCJOCPQIQM-GFCCVEGCSA-N 252.318 0.184 0 50 CCAA CCC[C@@H]1C(=O)NCCN1C(=O)c1cn(CC2CC2)nn1 577577598 YORYEWMXIYMDFU-GFCCVEGCSA-N 291.355 0.429 0 50 CCAA Cn1cc(CCC(=O)N[C@@H]2CCC[C@@H]2C(=O)O)nn1 659152776 DDXSTCWKPFMTHQ-VHSXEESVSA-N 266.301 0.117 0 50 CCAA CS(=O)(=O)CC[C@H]1CCCCN1C(=O)C1CC(=O)C1 584582013 ONMCYRCKHWTMBC-LLVKDONJSA-N 287.381 0.781 0 50 CCAA CCN1CCC[C@H]1CN(C)C1CCS(=O)(=O)CC1 1506420459 ICFWDQKPBINYRQ-ZDUSSCGKSA-N 274.430 0.980 0 50 CCAA CC(C)(CN)C(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2 1615545413 HGXUODWFSSXZJU-GHMZBOCLSA-N 279.306 0.630 0 50 CCAA O=C(O)[C@]12CN(Cc3ccoc3)C[C@@]1(C(=O)O)C2 1704309970 UKJZTZPWVUMQPC-TXEJJXNPSA-N 251.238 0.641 0 50 CCAA COC(=O)[C@@H](CN)NC(=O)OCc1ccccc1 6792722 GPGOWAJADCIVNB-SNVBAGLBSA-N 252.270 0.413 0 50 CCAA in-vitro CN(C)C(=O)Cn1cc(NC(=O)[C@@H]2CC2(C)C)cn1 337385397 CUOAKLKLRDVAAP-JTQLQIEISA-N 264.329 0.956 0 50 CCAA O=C1C[C@H](NS(=O)(=O)C2CC2)[C@@H]2CCCCN12 252509388 YMUNFTBOICIOMV-UWVGGRQHSA-N 258.343 0.222 0 50 CCAA O[C@H](CN1CCO[C@@H]2CCCC[C@@H]21)Cn1cccn1 229247451 AWOHLRJBHMHKEK-HZSPNIEDSA-N 265.357 0.887 0 50 CCAA OC[C@]12CNC[C@@H]1CN(CCc1ccc(O)cc1)C2 1772710708 NYUUBRMVMGWOCP-UKRRQHHQSA-N 262.353 0.448 0 50 CCAA CCN1CCn2c(nnc2-c2cnc(C)nc2)C1=O 1772808338 NNPOJAHDHZDODQ-UHFFFAOYSA-N 258.285 0.519 0 50 CCAA O=C(c1cc(N2CCOCC2)no1)N1CCN2CC[C@H]1C2 1772805715 PWORWIJWSFYDDR-NSHDSACASA-N 292.339 0.041 0 50 CCAA N[C@H]1C[C@@H](O)CN(C(=O)CCc2n[nH]c3c2CCCC3)C1 1857676313 QPSPHFVQMIRCHQ-WDEREUQCSA-N 292.383 0.142 0 50 CCAA CSc1ncc(CNC(=O)c2cn[nH]c2)n1C 1857703751 YIIISRHPMJNLFZ-UHFFFAOYSA-N 251.315 0.795 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCc2noc(-c3ccco3)n2)C[C@H]1O 1857717828 AGWOMFDKXANART-DJLDLDEBSA-N 292.295 0.044 0 50 CCAA COC(=O)[C@H]1CCc2nnc(C(=O)NC(C)C)n2C1 601043802 BNUDDTQDJHJBBQ-QMMMGPOBSA-N 266.301 0.152 0 50 CCAA CN(C)c1nccc(N2CCO[C@H](Cn3cccn3)C2)n1 607145291 PUHRYKMPAKWYRZ-LBPRGKRZSA-N 288.355 0.645 0 50 CCAA C[C@H](C(=O)O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 111026153 ONABLTZHNDTKAR-SECBINFHSA-N 295.314 0.520 0 50 CCAA C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1cnn(C)c1 266254518 YHABLBYOGKZNDP-MRVPVSSYSA-N 269.330 0.193 0 50 CCAA NC(=O)NC(=O)CNc1ccc([C@@H]2CCOC2)cc1 901425559 VETLUVKLOSNLDN-SNVBAGLBSA-N 263.297 0.797 0 50 CCAA O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)c1cc2cccnc2[nH]1 909187545 OSKNDQHQRHKCEB-WXHSDQCUSA-N 297.318 0.864 0 50 CCAA Cc1csc(C(=O)N2CCN(C)[C@H](CO)C2)n1 1875281968 HGTIEJBQJDKCKW-VIFPVBQESA-N 255.343 0.200 0 50 CCAA COC(=O)[C@@]1(NC(=O)[C@@H](N)CC(C)C)CCCSC1 1875383324 OYBRARRGRXRIPT-GXFFZTMASA-N 288.413 0.915 0 50 CCAA Cc1noc(=O)n1CC(=O)N1CCc2ccccc21 1875391370 UZYCCCDXKICGOC-UHFFFAOYSA-N 259.265 0.734 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N(C)Cc2cc[nH]n2)C1=O 886075575 OUKIINQZOOAWJO-GFCCVEGCSA-N 294.355 0.396 0 50 CCAA COc1cc(O)ncc1C(=O)N[C@]12CCC[C@H]1NCC2 1775600310 MXVMMWYTMOTGCQ-RISCZKNCSA-N 277.324 0.810 0 50 CCAA CCNC(=O)CNC(=O)c1ccc(C2(OC)COC2)cc1 1775998317 AAVPJVRXFMPKOB-UHFFFAOYSA-N 292.335 0.424 0 50 CCAA COc1ncnc(N)c1I 1775955522 AWSIYJOVQFOFLB-UHFFFAOYSA-N 251.027 0.672 0 50 CCAA CC[C@H](NC(=O)c1ccnc2[nH]cnc12)C(=O)OC 272193990 GBJNTZRSLDUPOX-QMMMGPOBSA-N 262.269 0.639 0 50 CCAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)NCCCC(=O)O)[C@H]1[C@H]3C2 262944318 BTGITGQEFPIWNR-CWUQZGLOSA-N 282.340 0.916 0 50 CCAA O=C(Cn1nnc(-c2ccccc2F)n1)N1CCOCC1 117710 IAUSGYQFUARPDD-UHFFFAOYSA-N 291.286 0.338 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cc2cscn2)C[C@]12CCOC2 2325812747 DVDPMTYGDCFDEW-GWCFXTLKSA-N 296.348 0.635 0 50 CCAA COc1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 432939 ZUTRGGTZRGZJHM-UHFFFAOYSA-N 292.335 0.798 0 50 CCAA Cn1nnnc1[C@@H]1CN(c2ccnc3[nH]ncc23)CCO1 2356151630 QNDPZUOHIXRHCD-JTQLQIEISA-N 286.299 0.059 0 50 CCAA N[n+]1cnn(CC(=O)c2ccccc2Br)c1 2586879 JRILALYJQFCSDW-UHFFFAOYSA-N 282.121 0.530 0 50 CCAA CNC(=S)NNC(=S)NCc1ccccc1 2797474 VKFOPNSMAQGHOD-UHFFFAOYSA-N 254.384 0.660 0 50 CCAA O=S1(=O)CC[C@@H](NC(=S)N2CCCCC2)C1 4304677 NBQGTGFVYJUKCR-SECBINFHSA-N 262.400 0.534 0 50 CCAA CO[C@H]1C[C@@H](CN(C)c2ncnc3n[nH]cc23)N(C)C1 343875346 RCBZQDCRJDPDRE-UWVGGRQHSA-N 276.344 0.508 0 50 CCAA CN(c1ccc(Cl)c(C(N)=O)c1)S(C)(=O)=O 67601968 SBGIDKPWWZMHHN-UHFFFAOYSA-N 262.718 0.835 0 50 CCAA COC(=O)CNc1cc(C)nc(N2CCOCC2)n1 65370486 UFYFLJCQOKPXMY-UHFFFAOYSA-N 266.301 0.207 0 50 CCAA CCOC(=O)N1CCN(Cc2nccn2CCOC)CC1 219182903 QYVHPWKAHWFGNL-UHFFFAOYSA-N 296.371 0.804 0 50 CCAA NCC[C@H](NC(=O)c1cncc(-n2ccnn2)c1)C(F)F 423675027 HMDNRBMZZGQCSG-JTQLQIEISA-N 296.281 0.375 0 50 CCAA c1nc2c(c(NCc3n[nH]c4c3CCC4)n1)CCNCC2 72410092 MYHRSRFHSLCQAP-UHFFFAOYSA-N 284.367 0.989 0 50 CCAA Cc1cc(C)c(C(=O)N2C[C@H](N(C)CC(=O)O)[C@H](O)C2)o1 328602955 DJXFRTLQGBZFPL-WDEREUQCSA-N 296.323 0.098 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2C)CC1 257366112 JWDAVAPNGJKADY-NUEKZKHPSA-N 295.427 0.507 0 50 CCAA CCN(C[C@H]1CCN(C)C1)C(=O)C1(C(=O)OC)CC1 71712141 ZFKWIQRYLOOFNM-NSHDSACASA-N 268.357 0.740 0 50 CCAA CN(CCN(C)C1CC1)C(=O)[C@@H]1CCc2nccn2C1 364393595 DIJCQDVKYFYPJK-GFCCVEGCSA-N 276.384 0.998 0 50 CCAA Cn1ncc2c(N)nc(N3CCO[C@H](C4CC4)C3)nc21 364980483 UIUROFPWDFAONM-JTQLQIEISA-N 274.328 0.561 0 50 CCAA C[C@]1(NS(=O)(=O)c2cc(Cl)cnc2N)CCOC1 158458848 VIDUASVGKDCUKT-JTQLQIEISA-N 291.760 0.775 0 50 CCAA COc1cccc(F)c1C(=O)NC[C@H]1COCCO1 216432021 NCBIIAMYCVZKOU-VIFPVBQESA-N 269.272 0.980 0 50 CCAA C[C@@H]1CCCN(C(=O)COC[C@H]2CCCO2)[C@@H]1CN 237500662 UKYBIGGMPDPIMF-JHJVBQTASA-N 270.373 0.768 0 50 CCAA O=C1COCCN1CC(=O)N1CCc2cc(F)ccc21 283080009 DOGYTLOUASAOFT-UHFFFAOYSA-N 278.283 0.574 0 50 CCAA O=C(O)CCCNC(=O)N[C@@H]1CCN(c2ccccn2)C1 263291312 VJACDMIJIFCEAE-LLVKDONJSA-N 292.339 0.824 0 50 CCAA CCc1nocc1C(=O)N1CCC[C@]1(COC)C(=O)NC 606444898 DOWCQFPIIGBDOS-AWEZNQCLSA-N 295.339 0.604 0 50 CCAA CN1CCCN(CC(=O)N2CCCC[C@H]2CC(=O)O)CC1 426388234 XHZGAZOZZCORET-ZDUSSCGKSA-N 297.399 0.480 0 50 CCAA Cc1nc(NC(=O)N2CCC[C@@H](CO)C2)nn1C 48482715 FIPHVQDDDWOEPV-SECBINFHSA-N 253.306 0.360 0 50 CCAA COCc1nc([C@H]2CCOC2)cc(N2CCOCC2)n1 426399009 KADIAFKPMNLDMZ-NSHDSACASA-N 279.340 0.964 0 50 CCAA CNCc1nnc(SCc2noc(COC)n2)n1C 426733966 GLKXOUFGNAJMFG-UHFFFAOYSA-N 284.345 0.356 0 50 CCAA COC(=O)[C@@](C)(O)CN=c1cc(C)nc(C2CC2)[nH]1 613332098 SPPWRKHBOITLOF-ZDUSSCGKSA-N 265.313 0.420 0 50 CCAA CN(C)[C@H]1CCN(Cc2cccc(C(=O)O)n2)C[C@@H]1O 97819499 SXTGZKRCNDAHQJ-STQMWFEESA-N 279.340 0.277 0 50 CCAA COC(=O)c1cnc(N)c(I)n1 95742758 CFIPNRPXDKADLX-UHFFFAOYSA-N 279.037 0.450 0 50 CCAA CC(=O)NC(C)(C)C(=O)N1C[C@H](C2CC2)[C@@H](N)C1 91535370 WLOJNFSBKVIQIH-MNOVXSKESA-N 253.346 0.097 0 50 CCAA CC(=O)c1cc(CN2CCN(C(C)=O)C[C@H](O)C2)cs1 91620202 MYYJJMJLEUGLNP-CYBMUJFWSA-N 296.392 0.976 0 50 CCAA Cn1ccnc1CN1C[C@@H](CO)C[C@H](CN2CCCC2)C1 91966323 QLMZVXQPRHEHGV-CABCVRRESA-N 292.427 0.946 0 50 CCAA C[C@@H]1O[C@H](Sc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O 256012662 YBOVKFRFMWFKCC-FRNCOOQWSA-N 256.323 0.606 0 50 CCAA CC(C)CCO[C@@H](C)C(=O)N1CCO[C@@H](C(=O)O)C1 299751033 PGGJAVISTMVQKW-WDEREUQCSA-N 273.329 0.750 0 50 CCAA COC[C@H](OC)[C@@H]1O[C@H](OC)[C@@H](OC)[C@H]1OC 257345911 MWCGWFVDFLEGFY-QHZLYTNSSA-N 250.291 0.049 0 50 CCAA C[C@@H](OCC1CC1)C(=O)N1CCO[C@@H](CC(=O)O)C1 299748243 GOLJMZOKYYFGDA-KOLCDFICSA-N 271.313 0.504 0 50 CCAA COc1cc(C[C@@H](C(=O)O)N(C(C)=O)C(C)=O)ccc1O 261507771 MCYUYZCMMVJZHC-NSHDSACASA-N 295.291 0.792 0 50 CCAA O=C(O)c1n[nH]cc1CN1CCN(c2ncccn2)CC1 534578989 XHJREQDSCAPMAV-UHFFFAOYSA-N 288.311 0.220 0 50 CCAA COCCN(CC(=O)O)c1ccc(C(=O)O)cn1 824406283 POEMCPORUAHESS-UHFFFAOYSA-N 254.242 0.317 0 50 CCAA CCCn1cnnc1CNC(=O)c1cc(O)ccc1N 823031281 GURCHZMFWOEYEX-UHFFFAOYSA-N 275.312 0.906 0 50 CCAA CCCn1cnnc1[C@H](C)NC(=O)Cn1ccccc1=O 584895507 MROSCLSJNSHCNT-NSHDSACASA-N 289.339 0.727 0 50 CCAA Cc1ccnc(CC(=O)N2CC[C@@H](CN(C)C)[C@H](O)C2)c1 584901490 AEUNYCSKKQIEJJ-DZGCQCFKSA-N 291.395 0.704 0 50 CCAA CN1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1CCO 670463009 XJVUYIUQDGZAJS-LBPRGKRZSA-N 284.381 0.374 0 50 CCAA COCCn1cnnc1CN(C)C[C@H]1CCCOC1 670451511 DVLRDOGPPYMYHT-GFCCVEGCSA-N 268.361 0.783 0 50 CCAA CN(C)C(=O)CN1C=NS(=O)(=O)c2ccccc21 685944171 VWUZHKACICJCEB-UHFFFAOYSA-N 267.310 0.312 0 50 CCAA CSCC(=O)N(C)C[C@@H]1CCCN(CCO)C1 952971676 HZBZHESZWSVOBP-NSHDSACASA-N 260.403 0.512 0 50 CCAA CC(C)[C@](C)(O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 408299912 FIDWYDOEGGGBDC-KOLCDFICSA-N 263.359 0.039 0 50 CCAA COc1ncc(C(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)cn1 1565530032 HLZWJDKQBZRVEL-UWVGGRQHSA-N 276.296 0.035 0 50 CCAA CC(=O)N1C[C@@H]2CN(Cc3nccs3)C[C@]2(C(=O)O)C1 1565514078 XGHATYUOSYYXBJ-GWCFXTLKSA-N 295.364 0.508 0 50 CCAA O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@H]1C[C@@H](O)CN1 269228456 NQMGKKADPNMCKE-UTUOFQBUSA-N 284.743 0.212 0 50 CCAA O=C(NS(=O)(=O)CC1CCC1)c1cnsn1 165057318 CWCHVZWZLARRHV-UHFFFAOYSA-N 261.328 0.398 0 50 CCAA Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 170607858 VQCQSYDQQXGFNT-OLZOCXBDSA-N 276.336 0.986 0 50 CCAA O=C(Cn1c(=O)cnc2ccccc21)N1CCCCO1 170603934 LPUZTMIQWPRZII-UHFFFAOYSA-N 273.292 0.951 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2nccc(=N)[nH]2)C1 643856030 SDSYHCFHWANYAU-ZJUUUORDSA-N 274.328 0.574 0 50 CCAA CNC(=O)CCN(C)c1cc(N2CCCC2)ncn1 192302257 QBQHSWWKDVSZJG-UHFFFAOYSA-N 263.345 0.649 0 50 CCAA C[C@]1(CNC(=O)C2(N)Cc3ccccc3C2)CCCNC1 669513781 KEHPUQFGUSVMLS-INIZCTEOSA-N 287.407 0.989 0 50 CCAA CN(C)C[C@H]1CN(C(=O)c2conc2C(C)(C)N)CCO1 565214900 QKWPCENHMCGBAI-JTQLQIEISA-N 296.371 0.271 0 50 CCAA C=Cn1cc(CN2CCS(=O)(=O)CC[C@H]2C)cn1 194907348 QNBHTOLGMBDAAB-LLVKDONJSA-N 269.370 0.993 0 50 CCAA CCCNC(=O)c1cn2c(n1)CCN(C(C)=O)CC2 1875243863 BOSCMVNBBGQNKO-UHFFFAOYSA-N 264.329 0.428 0 50 CCAA Cc1nnc2ccc(N3C[C@@H](F)C[C@H]3CO)nn12 408033588 OERNIZWKQKBZDY-IUCAKERBSA-N 251.265 0.342 0 50 CCAA CNC(=O)C[C@@H]1CCN(c2ncc(C)c(N(C)C)n2)C1 1704304988 NYZDTVNXJIFJEH-NSHDSACASA-N 277.372 0.813 0 50 CCAA O=C(O)CCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O 15970572 CKIFQQRHDQVJKI-LLVKDONJSA-N 274.276 0.850 0 50 CCAA CN1CCC[C@@]2(CCCN(CCCn3cnnn3)C2)C1 19147940 CMEUUNOBZSHVJY-CQSZACIVSA-N 278.404 0.871 0 50 CCAA O=C(N[C@H]1CCCn2nccc21)N1CCC[C@](O)(CO)C1 637759928 ODIIACMHSRPQDX-SMDDNHRTSA-N 294.355 0.247 0 50 CCAA O=C(NCC(=O)N1CCC[C@H]1CO)c1cc(F)cc(F)c1 133135847 IXBTWXIKFZVCPV-LBPRGKRZSA-N 298.289 0.678 0 50 CCAA C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H]1C(=O)O 262094885 HNNGAIMFHFHUFG-ONGXEEELSA-N 264.281 0.925 0 50 CCAA NC(=O)c1ccc(C(=O)N=c2cc3n([nH]2)CCCC3)nc1 376262230 NFBXCNXHZHGKGW-UHFFFAOYSA-N 285.307 0.388 0 50 CCAA CSC[C@@H](C)C(=O)N1CC[C@H](c2cc(O)nc(=N)[nH]2)C1 585131507 XQMXZYCVUBEXTD-BDAKNGLRSA-N 296.396 0.910 0 50 CCAA CNc1cc(-c2noc(CN3CCCC3=O)n2)ncn1 904236028 UNEHKTFYXWFAFQ-UHFFFAOYSA-N 274.284 0.691 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(c1ncc(F)cn1)C2 1704325555 JYDQAPUPXHKFTN-KOLCDFICSA-N 252.293 0.383 0 50 CCAA CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCNC1=O)C(=O)O 1857783308 AQQXONIFJQMESP-DTWKUNHWSA-N 286.328 0.881 0 50 CCAA N[C@@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1n1ccnn1 952887589 TTWCYMIXCTZCAW-OLZOCXBDSA-N 286.339 0.017 0 50 CCAA O=C(CCc1cccc(O)n1)N1CCc2nc(O)[nH]c2C1 1875345258 XVQPUXVUTQNFAV-UHFFFAOYSA-N 288.307 0.733 0 50 CCAA C[C@H](NC(=O)C[C@H]1CCCO1)c1nn(C)cc1O 1304545392 SKWABKZMMDNUHH-DTWKUNHWSA-N 253.302 0.872 0 50 CCAA Cc1cc(C)cc(CNC(=O)c2cn(CCN)nn2)c1 659345763 UPAJGWWJAUFGJR-UHFFFAOYSA-N 273.340 0.784 0 50 CCAA Cc1cc(CN(C)CC(=O)N2CCOCC2)ccn1 527535857 WUNBBUREUCFXFF-UHFFFAOYSA-N 263.341 0.681 0 50 CCAA COCC1(O)CCN(CC(=O)NCc2ccco2)CC1 330489626 MFVMGNRJCPMKFV-UHFFFAOYSA-N 282.340 0.369 0 50 CCAA CS(=O)(=O)c1ccc(N2CCC[C@H]2CO)nc1 361443637 TXPRNQLOXKUQIB-VIFPVBQESA-N 256.327 0.446 0 50 CCAA Cc1n[nH]c(C)c1CNC(=O)c1cnc(N)s1 720264457 RJGSXBFSIUJJMO-UHFFFAOYSA-N 251.315 0.995 0 50 CCAA c1cc2c(cc1-c1nnc3n1CCNCC3)OCO2 2100477959 NUJHIJOBSUBBPI-UHFFFAOYSA-N 258.281 0.820 0 50 CCAA N[C@H]1CN(C(=O)C[C@@H]2CNC[C@H]2O)CCc2ccccc21 2325788122 NIMUQGXNOFQVGQ-VHDGCEQUSA-N 289.379 0.042 0 50 CCAA Cc1oc(S(=O)(=O)N2CCOCC2)cc1C(=O)O 114774 COSCPEVCSMIUDC-UHFFFAOYSA-N 275.282 0.307 0 50 CCAA Cc1nc(CCC(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)cs1 2356164495 VGIOWODMOKGRTJ-GXSJLCMTSA-N 279.365 0.589 0 50 CCAA O=C1N(Cc2ccccc2F)CCC[C@]1(O)CNCCO 67741586 RADVYHVOWFUSCZ-HNNXBMFYSA-N 296.342 0.261 0 50 CCAA CO[C@H]1C[C@@H](C(=O)Nc2cnc(N(C)C)nc2)N(C)C1 330556246 HBBYMROSHMSRPW-QWRGUYRKSA-N 279.344 0.200 0 50 CCAA CCOC(=O)NCCN1CCN(C(=O)OCC)CC1 20166715 BXKNCMUUFRFHAX-UHFFFAOYSA-N 273.333 0.507 0 50 CCAA Cc1noc(CN(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)n1 67771373 OWRVZUISGCFGMV-LLVKDONJSA-N 294.355 0.841 0 50 CCAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1O 33358930 VVSWDMJYIDBTMV-IZMFDJJNSA-N 282.292 0.194 0 50 CCAA C[C@]12CCCN1C(=O)N([C@H]1CC(=O)N(C3CC3)C1)C2=O 328593049 INFXHCKRIQSWCV-IINYFYTJSA-N 277.324 0.566 0 50 CCAA O=S1(=O)CC[C@@H](Nc2ncnc3ccncc23)C1 328660472 VLFCLGCTDSYMFJ-MRVPVSSYSA-N 264.310 0.624 0 50 CCAA O=C(NCCN1CCCC1=O)c1ncc(F)cc1F 219462016 YTMNCMBYYTZRJJ-UHFFFAOYSA-N 269.251 0.712 0 50 CCAA O=C(c1cn[nH]c1)N1CCN(c2cccnc2)CC1 215291051 PEBQMPFXQJPAQL-UHFFFAOYSA-N 257.297 0.767 0 50 CCAA COCCn1ccnc1CN(C)Cc1nnc(C)o1 214955187 GKDQIUXGOQLCTR-UHFFFAOYSA-N 265.317 0.853 0 50 CCAA C[C@H]1CN(C[C@@H]2CCCN2C(=O)CCCN)C[C@@H](C)O1 237675514 IQAUSBJJLZFRLH-MJBXVCDLSA-N 283.416 0.826 0 50 CCAA CNS(=O)(=O)c1ccc(N2CCCC[C@H](CO)C2)nc1 371064075 NTYVNWGGDUWJLJ-NSHDSACASA-N 299.396 0.589 0 50 CCAA CC(C)c1cc(C(=O)NCCSc2nnnn2C)no1 77517782 KEAIXJNTWDMZEM-UHFFFAOYSA-N 296.356 0.844 0 50 CCAA CC1(C)CN(C(=O)CN2CCOCC2=O)[C@@H]2CCC[C@H]21 334815707 KAUMVIMKWQFEDT-VXGBXAGGSA-N 280.368 0.882 0 50 CCAA CN(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C3(CC3)C2)cn1 376326764 CNKLKCHJOFGCQG-LLVKDONJSA-N 297.380 0.293 0 50 CCAA COC(=O)C(C)(C)CNC(=O)Nc1nnc(OC)s1 282593214 CHBHKWLMUZFDPK-UHFFFAOYSA-N 288.329 0.867 0 50 CCAA O=C(O)CNC(=O)Cn1nc(-c2ccccc2)ccc1=O 44891262 PWGFEJWYWBIIQN-UHFFFAOYSA-N 287.275 0.111 0 50 CCAA C[C@H](Cc1cnccn1)N(C)C(=O)CN1CCOCC1 223373752 KMKWRLDGWGVNPB-GFCCVEGCSA-N 278.356 0.198 0 50 CCAA COc1ncc(C(=O)N[C@@H](c2ncnn2C)C(C)C)cn1 426405436 BKWFERIBUAGCMW-SNVBAGLBSA-N 290.327 0.741 0 50 CCAA CC(C)(NC(=O)CN1CCCCC1=O)c1nnc(N)s1 97495163 XZCWPHSFRQIFHS-UHFFFAOYSA-N 297.384 0.484 0 50 CCAA Cc1cc(CNC(=O)[C@H]2Cc3ccccc3C(=O)N2)n(C)n1 97610042 FJURYLYQVPYZGL-CQSZACIVSA-N 298.346 0.699 0 50 CCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2nccn2C)on1 96152662 YJDSKSAENNQVTK-PWSUYJOCSA-N 290.323 0.704 0 50 CCAA O=C1COc2ccc(F)cc2N1C[C@H]1COCCO1 95391558 XFWHAYLUAUANFE-JTQLQIEISA-N 267.256 0.967 0 50 CCAA Cc1cc2c(cc1NC(=O)NCCOCCO)OCCO2 97654013 WIURXDXWLJZVDF-UHFFFAOYSA-N 296.323 0.897 0 50 CCAA CC[C@@H](C(=O)NCCCN1CCOCC1)n1cccn1 92002253 OLIVTEMVDCIIEN-ZDUSSCGKSA-N 280.372 0.673 0 50 CCAA COCCN1C[C@H](C(=O)NCc2cc(C)[nH]n2)CCC1=O 91808096 HGGWPBLZCLFMFJ-LLVKDONJSA-N 294.355 0.219 0 50 CCAA CN1CCC[C@H](C(=O)NCCc2nnc(N)s2)C1 230555406 MCGVVVXTGPJKLF-QMMMGPOBSA-N 269.374 0.121 0 50 CCAA CCCc1n[nH]cc1C(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1O 244873396 WPSLTEQAGMXAIJ-CHWSQXEVSA-N 294.355 0.074 0 50 CCAA CCN(C)c1cc(C[C@H]2CC(=O)N(CCOC)C2)ncn1 244882466 XSHGEJBFQQTIMZ-LBPRGKRZSA-N 292.383 0.970 0 50 CCAA Cc1nc(CCN(C)C(=O)[C@H](C)n2cccn2)no1 286281511 TYCSMAACWDCAFS-VIFPVBQESA-N 263.301 0.837 0 50 CCAA O=C(NCCc1cn2cccnc2n1)C1CCOCC1 299760470 SUPABHKNXIIVMI-UHFFFAOYSA-N 274.324 0.815 0 50 CCAA Cc1ccc(OCCS(=O)(=O)N[C@H]2CCN(C)C2)cc1 823755243 SYMFQZFKPCPKGN-ZDUSSCGKSA-N 298.408 0.997 0 50 CCAA O=C(NCc1csc(-c2cnccn2)n1)[C@H]1C=CCN1 820385705 NHUBNTIIUICLNX-SNVBAGLBSA-N 287.348 0.744 0 50 CCAA c1cnc2nc(CN3CCC[C@H](c4nc[nH]n4)C3)nn2c1 670458876 MVCUZFTXAJCRTR-JTQLQIEISA-N 284.327 0.622 0 50 CCAA O=C(NCCc1noc(CO)n1)[C@H]1CCc2ccccc21 670445188 GBMJLEBLYKYDSL-LBPRGKRZSA-N 287.319 0.951 0 50 CCAA CCNC(=O)[C@@H]1CCN(C(=O)c2c(C)ncn2C)C1 670467080 JVHSBVPRVYVFAX-SNVBAGLBSA-N 264.329 0.327 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2ncccc2O)[C@H]2CCO[C@H]21 1074617477 FZDPVUHJJDZVFK-UPBCOZELSA-N 278.308 0.567 0 50 CCAA C[C@@H]1CCCN1C(=O)C1(CS(C)(=O)=O)COC1 1346238241 WCKHPPBGRTVWRY-SECBINFHSA-N 261.343 0.059 0 50 CCAA CCN(CCN1CCOCC1)C(=O)Cc1cccnc1 952970338 RDOUEPKFDDRDRQ-UHFFFAOYSA-N 277.368 0.805 0 50 CCAA COc1ccc(C(=O)NC[C@H]2CCNC[C@@H]2O)cc1O 1565510850 VRZRDOPFNMYFLX-PWSUYJOCSA-N 280.324 0.101 0 50 CCAA CCc1occc1C(=O)NS(=O)(=O)[C@@H]1CCOC1 408486071 ITRXNXYRCLEPFK-MRVPVSSYSA-N 273.310 0.691 0 50 CCAA CCOC1CC(O)(CNC(=O)[C@@H]2CCCO[C@@H]2C)C1 408474777 QBOCETPVVPEGNF-KTEZZQQRSA-N 271.357 0.848 0 50 CCAA COC[C@@H]1CN(c2cc(C)cc3ncnn23)CCO1 408513006 WUOFKFLLTYZEOX-NSHDSACASA-N 262.313 0.889 0 50 CCAA Cc1nc(N2CC[C@H](Cc3cnn(C)c3)C2)[nH]c(=N)n1 631143315 RKUWALNDKBSQRR-SNVBAGLBSA-N 273.344 0.395 0 50 CCAA Cn1ccc(C(=O)N2c3ccccc3C[C@H]2CO)n1 585126586 CHQAHSOJHZHALR-NSHDSACASA-N 257.293 0.984 0 50 CCAA CCOCCC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 276058083 TXYKPQAULMEXCE-ZDUSSCGKSA-N 292.383 0.936 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2c(C)noc2C)C1 644031079 WZPNTGAQOVRMNM-CQSZACIVSA-N 295.339 0.395 0 50 CCAA Cc1csc(S(=O)(=O)N2CCn3nncc3C2)c1 576122093 WHAPXQUGXQHITR-UHFFFAOYSA-N 284.366 0.853 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(COC[C@H](CN)O2)C1 757135917 AEVWDUDQJIBJDU-GXFFZTMASA-N 272.345 0.740 0 50 CCAA Cn1ccnc1COCC(=O)NC1CCC2(CC1)C[C@@H]2N 1615546029 LLCWGNHDCKNCKG-AVERBVTBSA-N 292.383 0.713 0 50 CCAA C[C@@H]1CCN(S(=O)(=O)N(C)Cc2cnn(C)c2)C1 408139311 OEUXHPJYPUKDMF-SNVBAGLBSA-N 272.374 0.439 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1sc(C)nc1C 134024027 NXEXKUZPDHFPJV-IUCAKERBSA-N 255.343 0.477 0 50 CCAA O=C(O)/C=C/C(=O)N1CCN(Cc2ccccc2)CC1 12883488 KWZMBXGHLUWDGJ-VOTSOKGWSA-N 274.320 0.972 0 50 CCAA Cc1cc(C(=O)N2CCO[C@@H](CCN(C)C)C2)n[nH]1 19939642 PGHBZDQSFINQOE-NSHDSACASA-N 266.345 0.511 0 50 CCAA Cc1ccc(S(=O)(=O)N2CC3(C2)OC[C@H]3O)cc1 169541513 QKMITJUXEPDHIP-LLVKDONJSA-N 269.322 0.129 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)c2ccc3n[nH]cc3c2)C1 630254310 QIEUHOTVLCOCIH-AWEZNQCLSA-N 289.291 0.879 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)c2ccncc2Cl)C1 644002544 PIQAPULGCWFDKA-CYBMUJFWSA-N 297.742 0.578 0 50 CCAA Cc1ncc(C(=O)N2CCCCC[C@@H]2CO)c(N)n1 828710618 OJKDPAYTJQNUIZ-SNVBAGLBSA-N 264.329 0.744 0 50 CCAA Cc1cc(CN2CCN([C@H]3CCCN(C)C3)CC2)n(C)n1 841841138 MRZWCWWVBHGKHS-HNNXBMFYSA-N 291.443 0.940 0 50 CCAA CCC[C@H](O)C(=O)N1CCC2(CCN(C)C2=O)CC1 935681647 RDBFWVGPNVMEOR-NSHDSACASA-N 268.357 0.618 0 50 CCAA CN(C)C(C)(C)CNC(=O)[C@]12CNC[C@H]1CCOC2 1121974926 NAEDMVJXJHPGKN-RISCZKNCSA-N 269.389 0.069 0 50 CCAA CN(C)c1ncccc1CNC(=O)CCc1cnn(C)n1 857436695 DYYSJQYJVWSWRB-UHFFFAOYSA-N 288.355 0.525 0 50 CCAA N[C@]1(Cc2nc(-c3nc[nH]n3)no2)CCSC1 1875279651 OFCCQJMEQGUSNK-VIFPVBQESA-N 252.303 0.232 0 50 CCAA COC(=O)/C=C/CCNC(=O)CNC(=O)C1CCCCC1 1875311728 LNGOOHRALOEJQA-WEVVVXLNSA-N 296.367 0.918 0 50 CCAA CC[C@@H]1C(=O)NCCN1Cc1cnc2n1CCOC2 891923884 QQJWTZOURVVTKV-LLVKDONJSA-N 264.329 0.124 0 50 CCAA O=C(Cn1c(=O)nc(O)c2ccccc21)N1CC2(CC2)C1 900047193 FVIVRGJNXVGXBP-UHFFFAOYSA-N 285.303 0.725 0 50 CCAA COc1ccnc(N2CCN([C@H]3CCOC3)CC2)n1 268070228 CGKUPJJITBDXOY-NSHDSACASA-N 264.329 0.396 0 50 CCAA NCCCCCCNC(=O)c1ccn2cnnc2c1 97099418 GGYTZSAHBYKBTL-UHFFFAOYSA-N 261.329 0.978 0 50 CCAA C[C@H](C(=O)N[C@@H]1CC[C@H](CC(=O)O)C1)n1cncn1 379077615 WPIMQIHOVFBMLX-KXUCPTDWSA-N 266.301 0.599 0 50 CCAA CCn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H](C(=O)O)C3)n1 2325788470 ILGYDKCPMLMSAZ-GARJFASQSA-N 292.339 0.871 0 50 CCAA COC[C@@H](O)CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@H]2C1=O 899895189 POODSTQGNMCGSI-BJUWDHJGSA-N 293.363 0.971 0 50 CCAA COC[C@H](C)NC(=O)CN1C(=O)c2ccccc2C1=O 116337 NONLWLJJNZYAMD-VIFPVBQESA-N 276.292 0.434 0 50 CCAA COC(=O)c1ccccc1N1C[C@H](C(=O)O)CC1=O 151467 IJASNKPEYJIWPN-MRVPVSSYSA-N 263.249 0.911 0 50 CCAA O=C(COc1ccccc1)NCC(=O)Nc1nncs1 305937 RODNGTAJUZVSJM-UHFFFAOYSA-N 292.320 0.672 0 50 CCAA O=C(CN1C(=O)c2ccccc2C1=O)NCc1cccnc1 392123 ZZFNCQVCRHQUOS-UHFFFAOYSA-N 295.298 0.994 0 50 CCAA COc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1Cl 528799 VTTFDVHLVDEADJ-UHFFFAOYSA-N 292.744 0.454 0 50 CCAA O=C(c1ccccc1-n1cncn1)N1CC[C@H]2CNC[C@H]21 77505278 PBMPHECOZVSROX-SMDDNHRTSA-N 283.335 0.701 0 50 CCAA CN1CC[C@H]2CN(C(=O)c3c[nH]c(=O)c(Cl)c3)C[C@H]21 77341202 BKVZJIQJLSLNHW-GZMMTYOYSA-N 281.743 0.804 0 50 CCAA CN(C[C@H]1CCn2ccnc2C1)C(=O)[C@H]1CCOC1 328637524 WACUBSZIOOJBRV-RYUDHWBXSA-N 263.341 0.940 0 50 CCAA O=C1COCCN1CC(=O)N1CCS[C@@H]2CCCC[C@@H]21 253430625 KGRRXYQSIQCVGI-NWDGAFQWSA-N 298.408 0.732 0 50 CCAA CN(C)CCn1ccc(C(=O)N(C)CCN(C)C2CC2)n1 328600716 ZFBYQRGEUAVUFB-UHFFFAOYSA-N 293.415 0.611 0 50 CCAA CCCNS(=O)(=O)c1nnc(NC(C)=O)s1 36182505 OBXSQAIGYJECKM-UHFFFAOYSA-N 264.332 0.185 0 50 CCAA Cc1nc(C2CCN(C[C@H](O)Cn3cccn3)CC2)no1 371487534 GIPZDPDIHYHQGW-ZDUSSCGKSA-N 291.355 0.815 0 50 CCAA O=C(CN1CCOCC1)N1CCN(CC(F)(F)F)CC1 74233354 QTTZDUHLAGAVEH-UHFFFAOYSA-N 295.305 0.025 0 50 CCAA CC(C)c1ocnc1CN1C(=O)NC2(CCNCC2)C1=O 77537791 MDCHWVDRZYVHOR-UHFFFAOYSA-N 292.339 0.972 0 50 CCAA C[C@@H](NC(=O)c1ncc(F)cc1F)c1ncnn1C 223623027 KINMKCACCWFVRQ-ZCFIWIBFSA-N 267.239 0.979 0 50 CCAA CNC(=O)[C@@H]1CCCN(c2ccc(C(=O)O)nn2)C1 232289602 RDNWUXQCEIEOLQ-MRVPVSSYSA-N 264.285 0.137 0 50 CCAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1[C@@H]1CCCS1(=O)=O 238950461 YCHBXRLOROHSSC-LADJIXMOSA-N 281.333 0.328 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1nc[nH]c2nccc1-2 614456065 PRDICUSQHORSIL-VXNVDRBHSA-N 273.296 0.306 0 50 CCAA COCC[C@H]1COCCN1C(=O)CCc1ncc[nH]1 330919195 NXKUTSKKBWYGLM-NSHDSACASA-N 267.329 0.606 0 50 CCAA Cc1cc(CN(C)C(=O)Nc2cn(C)nn2)no1 96167057 YYIJMXQKGMESIN-UHFFFAOYSA-N 250.262 0.775 0 50 CCAA CCc1n[nH]c(C(=O)N(C)[C@H](C)CC(=O)NC)c1C 96139658 NEXKTTYREKEMQV-MRVPVSSYSA-N 266.345 0.877 0 50 CCAA COCCn1cnnc1CNC(=O)CCC(F)(F)F 244626783 FSTSXAXLJPGDIF-UHFFFAOYSA-N 280.250 0.883 0 50 CCAA C[C@H](O)CNC(=O)CCc1nc(O)c2ccccc2n1 253623903 SFUSYLMQHDTVKJ-VIFPVBQESA-N 275.308 0.765 0 50 CCAA biogenic O=C(O)CN(C(=O)[C@@H]1CCOC1)C1CCOCC1 299748179 GITLBHLXZHOVCN-SECBINFHSA-N 257.286 0.115 0 50 CCAA NC(=O)[C@@H](O)C1CCN(CCOc2ccccc2)CC1 299752453 UEDXVCSEPZRPSZ-AWEZNQCLSA-N 278.352 0.624 0 50 CCAA CCCn1nccc1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2N 534674566 XFOCJEOJNYKMDZ-PTEHBNRSSA-N 298.412 0.651 0 50 CCAA O=C1CCc2c1cccc2C(=O)NCCN1CCNCC1 534666214 ROUULFJHDHKXSG-UHFFFAOYSA-N 287.363 0.451 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@H](C(=O)O)C1 299744919 VNAKGRMBEHIKJI-QJPTWQEYSA-N 285.340 0.894 0 50 CCAA Cc1nc(CN2CCO[C@@H](C(=O)O)C2)n(C)c1C 534665437 XCQFMYOZTKZJGP-SNVBAGLBSA-N 253.302 0.322 0 50 CCAA CCOCC1(CNC(=O)CN2CCOCC2)CCC1 534666235 WVWNAWUOLABJTG-UHFFFAOYSA-N 270.373 0.642 0 50 CCAA O=C(CCCn1cnnn1)NCc1cc(C2CC2)on1 534587743 CEYRJKXQOKFFEV-UHFFFAOYSA-N 276.300 0.635 0 50 CCAA O=C(NCCN1CCC(CO)CC1)c1ccc(F)cc1O 299770186 PXGHMIKVAITPMO-UHFFFAOYSA-N 296.342 0.965 0 50 CCAA CCOCCN1C[C@@H](c2c[nH]nn2)[C@@H](CC(=O)O)C1 299790969 BTECPLCCFCLGDW-VHSXEESVSA-N 268.317 0.331 0 50 CCAA Cc1cc(C(=O)NCc2csc(N)n2)c(=O)n(C)c1C 827597725 HVZPWDULVLWTLZ-UHFFFAOYSA-N 292.364 0.971 0 50 CCAA CN(C)[C@@H]1CCN(C(=O)CCCN2CCCC2=O)C1 823662647 UOBZLPJRUADHTM-GFCCVEGCSA-N 267.373 0.552 0 50 CCAA COC[C@H]1[C@@H](NC(=O)Cc2cccnc2)[C@H]2CCO[C@H]21 1074601482 MQUSTGVZTQIDRN-PAPYEOQZSA-N 276.336 0.790 0 50 CCAA OC[C@@H]1CN(Cc2cnc(C3CC3)o2)CC[C@@H]1O 1335329518 KRUHITGIMQQLSZ-JQWIXIFHSA-N 252.314 0.727 0 50 CCAA CN(C(=O)N=c1cc[nH]cc1F)[C@@H]1CCS(=O)(=O)C1 408216901 KAPKPEMRXGEFKX-MRVPVSSYSA-N 287.316 0.293 0 50 CCAA C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)S(=O)(=O)CCO)C1 86996860 GGYXUAJEDOSQCK-GMTAPVOTSA-N 277.386 0.287 0 50 CCAA CS(=O)(=O)CC(=O)N1CCC[C@@H]1CN1CCCCC1 408013555 DUMSEDIFRAMGOS-GFCCVEGCSA-N 288.413 0.508 0 50 CCAA CCN(C[C@H]1CCOC1)C(=O)c1c[nH]nc1[C@H]1CCNC1 662424254 SDRSLYNATRQTPU-NEPJUHHUSA-N 292.383 0.985 0 50 CCAA O=C(NC[C@@H]1CCC[C@@H]1O)c1cnnn1C1CCNCC1 662527028 IUJJBNVCZIJFLM-GWCFXTLKSA-N 293.371 0.093 0 50 CCAA CN1C(=O)CN(c2cnc3cc(F)c(F)cc3n2)CC1=O 170083761 SIRWMFMMGPLNMZ-UHFFFAOYSA-N 292.245 0.713 0 50 CCAA CC1(C)NC(=O)CC[C@H]1NC(=O)CCc1cnc[nH]1 670147857 HJBYJMJAIBDWNI-SNVBAGLBSA-N 264.329 0.516 0 50 CCAA CC(C)Cn1nccc1C(=O)N1CCOC[C@@H]1C(=O)O 564978770 OWKXPUOZGCJOSX-LLVKDONJSA-N 281.312 0.465 0 50 CCAA NC(=O)[C@H](NC(=O)C[C@H](N)Cc1ccccc1)C1CC1 1875287699 VPGFUZIVUUSVMJ-TZMCWYRMSA-N 275.352 0.327 0 50 CCAA CNS(=O)(=O)N1CCC(F)(Cc2ccccn2)CC1 1615615465 XPIJJPXHVDXJJS-UHFFFAOYSA-N 287.360 0.892 0 50 CCAA Cc1nc2c(c(=O)n1C)CN(c1nccnc1N(C)C)C2 1704340076 SUVMYGPMDVXZHY-UHFFFAOYSA-N 286.339 0.465 0 50 CCAA CN1CCO[C@H](CNC(=O)c2cc(Cl)ccn2)C1 110483890 XPZYNPWBJCTDJY-SNVBAGLBSA-N 269.732 0.795 0 50 CCAA COCCOc1ccccc1C(=O)N1CC[C@@H](N)C1 132647144 LFNNBKUMVZLWEL-LLVKDONJSA-N 264.325 0.885 0 50 CCAA CCNC(=O)N1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 571226349 NPRBTUFXERJRNP-WDSKDSINSA-N 253.224 0.312 0 50 CCAA CCn1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@H](C)CN3C2)n1 1857715851 LFZFFLYHOKBTIU-UTUOFQBUSA-N 278.356 0.494 0 50 CCAA O=C1C[C@H]2CN(C(=O)c3cnc4c(c3)CCCC4)C[C@H]2N1 1857671673 WTDNNSLMWCQMFW-GXTWGEPZSA-N 285.347 0.921 0 50 CCAA CN1C(=O)[C@H]2COC[C@@H]1CN(CCOc1ccccc1)C2 1875246177 JXMFOGUNVSNODN-KGLIPLIRSA-N 290.363 0.854 0 50 CCAA CC[C@H](C(=O)OC)C(=O)N1CC[C@@H](N2CCCC2)C1 225629485 QLIRGVSTPPGATN-NEPJUHHUSA-N 268.357 0.882 0 50 CCAA C[C@H]1CNCCN1C(=O)c1ccc(CNC(N)=O)cc1 125931467 RPYXVMIKPGYHLR-JTQLQIEISA-N 276.340 0.289 0 50 CCAA O=C(O)Cn1cnc(NC(=O)C[C@@H]2CCCCO2)n1 843338608 HCJIIWJAHOOQCE-QMMMGPOBSA-N 268.273 0.260 0 50 CCAA C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)N[C@H]1CCC(=O)NC1=O 247226959 WNTRTDIYUQFADW-VLEAKVRGSA-N 281.356 0.169 0 50 CCAA Cn1nc(C(=O)N2CCC[C@H]3C[C@H]32)c2c1CCNC2 1875315323 PDGXKXCDVQVQNZ-JOYOIKCWSA-N 260.341 0.690 0 50 CCAA O=C(COCC1CC1)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875402462 HLOORIRMJSBGMF-BFHYXJOUSA-N 293.367 0.565 0 50 CCAA CO[C@@H]1CN(c2nnc(C)c(C)n2)C[C@H]1c1cn(C)nn1 886079455 BQWXIBSJHHPVAE-CMPLNLGQSA-N 289.343 0.236 0 50 CCAA Cc1cc(S(=O)(=O)N[C@H](C)Cn2cccn2)ccn1 1775998824 KWRDBHVHANIJRS-LLVKDONJSA-N 280.353 0.954 0 50 CCAA C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1CCC[C@H](N)C1 251568022 BOPFGNTUINZERI-RHYQMDGZSA-N 267.373 0.616 0 50 CCAA O=c1ccc2cc(S(=O)(=O)NCCCO)ccc2o1 35609871 PWVKIWSEQLZZPJ-UHFFFAOYSA-N 283.305 0.454 0 50 CCAA COc1ccc(C(=O)N2C[C@H](OC)C[C@H]2CO)cc1 284799533 KIOVWGOCELHIEB-WCQYABFASA-N 265.309 0.917 0 50 CCAA O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1ccccc1 65395431 OCEZZIVITFWHKT-MNOVXSKESA-N 280.349 0.728 0 50 CCAA Cc1ccn(CC2(CS(C)(=O)=O)CC2)c(=O)c1 331437762 RZHCPLGCAHYVPP-UHFFFAOYSA-N 255.339 0.982 0 50 CCAA CN1C(=O)NCC12CN(C(=O)c1cccc3c1COC3)C2 2100534508 LOEDUTXUWTUGKW-UHFFFAOYSA-N 287.319 0.566 0 50 CCAA Cc1nonc1CC(=O)N(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100534727 WDUBHRUTFMKFPJ-BKUVIOGVSA-N 279.340 0.928 0 50 CCAA CC(C)(C)OC[C@H](O)CN[C@@]1(CC(=O)O)CCCOC1 2325790421 KIMSABYMAXBIOJ-BXUZGUMPSA-N 289.372 0.776 0 50 CCAA Cc1nc2c([nH]1)[C@@H](C(=O)N[C@@]1(C(=O)O)CCOC1)CCC2 2325829913 WBXSECURSMDMBI-XPTSAGLGSA-N 293.323 0.498 0 50 CCAA CCCN1Cc2nnc(-c3ccn(C)n3)n2[C@@H](C)C1=O 2356142456 SQRWAPHHKRFMQK-VIFPVBQESA-N 274.328 0.992 0 50 CCAA CC[C@H](C)NS(=O)(=O)c1csc(C(N)=O)c1 6678662 PBPFSRUNEBGCKV-LURJTMIESA-N 262.356 0.924 0 50 CCAA COC[C@H](OC)[C@@H]1O[C@H](OC)[C@H](OC)[C@@H]1OC 101136520 MWCGWFVDFLEGFY-DAWVFNFOSA-N 250.291 0.049 0 50 CCAA CS[C@H](CO)[C@@H](C)Nc1nccnc1C(=O)O 228448737 VVVMRJHFSVFNDD-RNFRBKRXSA-N 257.315 0.699 0 50 CCAA CC(=O)NCCNc1cc(OC(C)C)nc(N)n1 65373158 LLKIKYVVKKXFBB-UHFFFAOYSA-N 253.306 0.394 0 50 CCAA CCCN1C[C@@H](C(=O)NC[C@H]2CCCO2)CC1=O 32497069 MEDDAYKEUQIIKL-WDEREUQCSA-N 254.330 0.540 0 50 CCAA C[S@](=O)CC[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O 309038 QYXFLPXRIFFGJI-CFMSYZGJSA-N 295.316 0.504 0 50 CCAA biogenic Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCCO1 328633904 SUTLUNAXTHUEER-MWLCHTKSSA-N 251.286 0.662 0 50 CCAA CN(C)c1ccc(CC(=O)N2CCNC(=O)CC2)cc1 215536189 LQZINFNVNIYAGE-UHFFFAOYSA-N 275.352 0.644 0 50 CCAA CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2nc[nH]n2)cn1 328614259 ADVBXNHBRCJEEV-WDEREUQCSA-N 290.327 0.671 0 50 CCAA COc1ccnc(CN2CCC[C@@H](S(N)(=O)=O)C2)c1 330868263 YMLZVMLCNFNKAH-GFCCVEGCSA-N 285.369 0.343 0 50 CCAA CC[C@@H](N)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 152911039 LUVHHPRUENYUPY-GHMZBOCLSA-N 251.334 0.254 0 50 CCAA O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N[C@@H]1CCNC1 127367203 JZUKXFSRJPDTGR-LLVKDONJSA-N 288.351 0.657 0 50 CCAA CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 333874316 VEHXKZBEHWGLJI-PUXPGTEJSA-N 264.325 0.400 0 50 CCAA CCCc1nc(N(C)C[C@H](O)COC)c2cnn(C)c2n1 72163955 GCSNUMQTBCQWAU-JTQLQIEISA-N 293.371 0.759 0 50 CCAA C[C@H]1CN(S(=O)(=O)c2cccc(F)c2F)CCN1 237694360 VQOAXDQEBGTJJS-QMMMGPOBSA-N 276.308 0.947 0 50 CCAA COCc1ccc(C(=O)N2CCOC[C@H]2CC(=O)O)o1 263247747 DIUCWGVQFDVEFH-SECBINFHSA-N 283.280 0.742 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCc1ccncc1C 222801825 VVDUSZPZNVUXCR-VIFPVBQESA-N 251.286 0.751 0 50 CCAA Cn1c(N2CC[C@@](O)(c3c[nH]nn3)C2)nc2ccccc21 284704726 YZGPQXPMOZQZMC-AWEZNQCLSA-N 284.323 0.789 0 50 CCAA COc1ccc(CC(=O)N[C@@H]2CCOC[C@H]2O)c(OC)c1 223900534 VOGFAMLALJEUHM-CHWSQXEVSA-N 295.335 0.512 0 50 CCAA C[C@H](NC(=O)NCCc1nc2ccccc2n1C)C(N)=O 426493199 OFFOKPFAYRQDJE-VIFPVBQESA-N 289.339 0.289 0 50 CCAA COc1cc(CC(=O)N2CCCNC(=O)[C@@H]2C)ccn1 613876878 RPUTZMTZTOKAQK-JTQLQIEISA-N 277.324 0.370 0 50 CCAA O=C(NCCn1cccc1)[C@@H]1CC(=O)N(C2CC2)C1 91434966 XZDVBOBQLVUOPM-LLVKDONJSA-N 261.325 0.615 0 50 CCAA CN(C(=O)c1cccnc1-n1cccn1)[C@H]1CCNC1 179108444 YHPBDBFQKRBLKU-NSHDSACASA-N 271.324 0.701 0 50 CCAA C[C@H](c1nc(-c2ccco2)nn1CC(=O)O)n1cncn1 97743463 DWZOOTWVKLNHFB-MRVPVSSYSA-N 288.267 0.824 0 50 CCAA Cc1nc(O)cc(CNC(=O)[C@@H](N)Cc2ccccc2)n1 244734961 NQPMYYROELWYEX-ZDUSSCGKSA-N 286.335 0.677 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@@H]3[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5[C@@H]42 247848419 FRSICVXYVAHOIH-FXBRUWNDSA-N 279.299 0.648 0 50 CCAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cnc[nH]1 244899827 ZREBNBBZYXOAMV-GFCCVEGCSA-N 278.356 0.783 0 50 CCAA O=C(O)CN(C(=O)COCC(F)(F)F)C1CCOCC1 299751678 RGYBUAJUYFPPPY-UHFFFAOYSA-N 299.245 0.658 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CCC[C@H](CN)C1 534661982 GNRJHPYGEOMWSI-LLVKDONJSA-N 286.401 0.571 0 50 CCAA O=C(c1nccnc1O)N1CCN(C2CCCC2)C(=O)C1 299776942 GBKHOVLANVSHAJ-UHFFFAOYSA-N 290.323 0.409 0 50 CCAA NCCOCCOCCOCCOCC(F)(F)F 575410980 JVFYELHCDPCZQY-UHFFFAOYSA-N 275.267 0.574 0 50 CCAA CCCCS(=O)(=O)N(C)C[C@@H]1CC(=O)N(C)C1 822877558 FXRHREAQJWGZRC-SNVBAGLBSA-N 262.375 0.526 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CCN1CCCCC1 828034674 NKFBELQHRYQWGX-CHWSQXEVSA-N 279.384 0.799 0 50 CCAA O=C(O)CC[C@@H]1CCCN(CCn2cnnc2)C1 828509359 KFLSMQUXBVFTKM-NSHDSACASA-N 252.318 0.855 0 50 CCAA CN1CC(=O)N(CC(=O)N2CC[C@@H]2c2cccs2)C1=O 823748561 ZBFDQOAHQQXPNB-SECBINFHSA-N 293.348 0.916 0 50 CCAA CCCN1C[C@H](n2cnc3cccnc3c2=O)CC1=O 584895038 PQFHSUYGRXPXAP-SNVBAGLBSA-N 272.308 0.975 0 50 CCAA COCCN1CC[C@H](C(=O)N2CCc3nocc3C2)C1 584897527 XYPABVPQPZGGAG-NSHDSACASA-N 279.340 0.528 0 50 CCAA O=C(NCCCOC1CCCCC1)NCc1nn[nH]n1 584895926 PZYHIJIFBLEUIK-UHFFFAOYSA-N 282.348 0.738 0 50 CCAA Cc1c(C(=O)N2CC[C@H](N(C)C)[C@@H](O)C2)ccn1C 584901301 GRXCNYDAJSEAQL-STQMWFEESA-N 265.357 0.471 0 50 CCAA COCCn1cnnc1CNC(=O)c1cccn1C1CC1 584891853 RKFHLEUCBBGADO-UHFFFAOYSA-N 289.339 0.991 0 50 CCAA CN(C)S(=O)(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 670439152 NXOAMBBUKNQVFM-SNVBAGLBSA-N 289.401 0.174 0 50 CCAA Cc1nc([C@H]2CCN(C(=O)C3(C)COC3)C2)n[nH]1 1336521688 QGGZPAYAUYKRBY-VIFPVBQESA-N 250.302 0.466 0 50 CCAA COC1(c2ccnn2C)CN(c2ncc(C)cn2)C1 1339799337 RGNYDTAWRACGNY-UHFFFAOYSA-N 259.313 0.880 0 50 CCAA C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccco1)c1nnnn1C 1434811699 WQYLMSIMRLNLEP-IWSPIJDZSA-N 276.300 0.719 0 50 CCAA O=C(NC[C@@H](O)c1ccccc1F)C1CCNCC1 269076434 CHOKYFNHADRBAE-CYBMUJFWSA-N 266.316 0.975 0 50 CCAA O=C(NS(=O)(=O)[C@@H]1CCOC1)[C@H]1C[C@@H]1C1CC1 408133093 NGVIVAWHYYQWQK-BBBLOLIVSA-N 259.327 0.267 0 50 CCAA Cc1ncc(S(=O)(=O)NC(=O)[C@H]2CCCCO2)s1 408479717 GGZIPLWHYIEVCZ-MRVPVSSYSA-N 290.366 0.826 0 50 CCAA O=C(COC[C@H]1CCOC1)N(C[C@@H]1CCCN1)C1CC1 186548899 NMIHMULMVQUKSG-STQMWFEESA-N 282.384 0.783 0 50 CCAA COc1cc(C[C@@H](NC(=O)N(C)C)C(=O)O)cc(OC)c1 548529400 AKUWJOCCGPLYAW-GFCCVEGCSA-N 296.323 0.971 0 50 CCAA NC(=O)[C@@H]1CC[C@@H](C(=O)OCCC(F)(F)F)O1 170617326 IGYFFQRVXDCFFK-WDSKDSINSA-N 255.192 0.515 0 50 CCAA NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1ncnc2n[nH]cc12 682473711 HNUZVGVBNGWLEN-MRTMQBJTSA-N 272.312 0.443 0 50 CCAA Cc1nnc(N2CCC[C@](O)(CC(=O)N(C)C)C2)nc1C 643718664 COTOUSBCXSLOAR-AWEZNQCLSA-N 293.371 0.298 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cnccn1 644073266 ONYLTDQWWXDZJY-WZRBSPASSA-N 276.340 0.194 0 50 CCAA CC(C)n1c(O)nc2ccc(C(=O)NCC(N)=O)cc21 665962734 LAKXUWGVKUUNMA-UHFFFAOYSA-N 276.296 0.538 0 50 CCAA CC(C)OCCC(=O)N1CCC[C@](O)(c2cnn[nH]2)C1 583618993 QZPRZYWIKOLBJK-CYBMUJFWSA-N 282.344 0.430 0 50 CCAA O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](C2(O)CC2)C1 1772818647 IVGKKQRSFSRIKW-SECBINFHSA-N 271.342 0.335 0 50 CCAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)NCCC(=O)O 1506400024 SLOBIPFKXDDALO-JTQLQIEISA-N 299.371 0.750 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCc2cnn(C)c2C)CC[C@@H]1O 1704307940 ANOKCLMTUIHBEC-KGYLQXTDSA-N 281.356 0.521 0 50 CCAA CC(=O)N[C@H]1CCCN(C(=O)C2(CN)CCCC2)C1 122986959 HOZFYACFLVZMHL-LBPRGKRZSA-N 267.373 0.633 0 50 CCAA O=C(CSc1nccc(O)n1)N1CCOCC1 6494065 BJBZLKJJYZCGMN-UHFFFAOYSA-N 255.299 0.133 0 50 CCAA CN(C)C(=O)[C@@H]1CN(c2ncnc3cc[nH]c23)CCO1 1772805370 MKMJZCUYCTUKSJ-JTQLQIEISA-N 275.312 0.251 0 50 CCAA Cc1ccc2c(C(=O)N[C@@H]3CC[C@@H](O)[C@H]3O)cnn2c1 1772707371 YTEXGGMLQHFPGQ-RTXFEEFZSA-N 275.308 0.257 0 50 CCAA CN1C(=O)NCC12CN(C[C@@H]1COc3ccccc3O1)C2 1857692636 NOWLURAOPAZITG-LLVKDONJSA-N 289.335 0.536 0 50 CCAA Cc1cc(C)nc(N2CCC(CS(N)(=O)=O)CC2)n1 266724301 MLVIWBYIYLXRAT-UHFFFAOYSA-N 284.385 0.598 0 50 CCAA CCOC(=O)[C@@H](O)Cn1cc(-c2cncs2)nn1 594645222 XZEUINKQMRACJN-QMMMGPOBSA-N 268.298 0.326 0 50 CCAA CN(C)C/C=C/C(=O)NC1CC(NC(=O)C2CCC2)C1 1875375408 CBQZVKZSYSNOEU-QPJJXVBHSA-N 279.384 0.668 0 50 CCAA CN1C[C@H](C(=O)N(C)C[C@@H]2CCC[C@@H]2O)CC1=O 407994374 CMONFHSATKUJEZ-AXFHLTTASA-N 254.330 0.084 0 50 CCAA Clc1cnn(CCN2CCC3(CC2)CNCCO3)c1 534630861 FTANOJARXUCHIR-UHFFFAOYSA-N 284.791 0.991 0 50 CCAA Cc1cccc(N(CC(N)=O)S(C)(=O)=O)c1C 316880 SGMLUZWTIXOSBE-UHFFFAOYSA-N 256.327 0.555 0 50 CCAA O=C(O)CCCNC(=O)c1ccccc1C(=O)O 2024475 LENIZMSGCFPTBO-UHFFFAOYSA-N 251.238 0.979 0 50 CCAA CN1CCN(NC(=S)NCc2ccc(F)cc2)CC1 2856894 SRKCQLXTHVABEL-UHFFFAOYSA-N 282.388 0.952 0 50 CCAA CCOc1ccccc1NC(=O)C(=O)NCCN(C)C 2858567 RDOVJLRMWBFXJB-UHFFFAOYSA-N 279.340 0.702 0 50 CCAA O[C@@H]1CCCN(c2ccnc(N3CC[C@@H](O)C3)n2)C1 2356154398 URPXGZKJTQPOQV-GHMZBOCLSA-N 264.329 0.009 0 50 CCAA CCOC(=O)CNC(=O)CSc1nnc(C)s1 4336720 QDEDZOLFYSJRRE-UHFFFAOYSA-N 275.355 0.618 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1cc(C(=O)OC)no1 864095770 ATAZIFRXMMKSKE-CYBMUJFWSA-N 298.295 0.527 0 50 CCAA Cn1nc2ccccc2c1C(=O)N1CC[C@]2(CNC(=O)C2)C1 345456398 XOQMEWSOFUOTTQ-INIZCTEOSA-N 298.346 0.926 0 50 CCAA C[C@H]1CN(C(=O)CN(C)[C@H](C)C(=O)O)C[C@@H](C)O1 226834255 AHFRKCSVWPUHOA-KXUCPTDWSA-N 258.318 0.027 0 50 CCAA C[C@@H]1OCC[C@H]1C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328625050 KIOFUGJNPBBWOU-TUAOUCFPSA-N 278.356 0.650 0 50 CCAA C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 229519926 FQGZOQXOLMEZES-AXFHLTTASA-N 275.370 0.495 0 50 CCAA Cc1cccc(CC(=O)NCCN2CCOCC2)c1 20408059 UHVMVPCSNJAGGB-UHFFFAOYSA-N 262.353 0.986 0 50 CCAA COCC1CCN(C(=O)CCN2CCCC2=O)CC1 112318007 ORYFODAGXBXLPL-UHFFFAOYSA-N 268.357 0.884 0 50 CCAA CCc1nc(CN(C)C[C@@H]2C[C@H](OC)CN2C)no1 330531661 BRGCGKAQHTWVKL-QWRGUYRKSA-N 268.361 0.783 0 50 CCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCCc1cccs1 33028524 FNFJCBVPIPNYSJ-VIFPVBQESA-N 281.337 0.395 0 50 CCAA O=C(C[C@H]1COCCN1)Nc1ccc(-n2cncn2)cc1 72121651 GVLADDBOBCSXRW-LBPRGKRZSA-N 287.323 0.584 0 50 CCAA O=C(O)C1CCN(c2ccnc(N3CCOCC3)n2)CC1 242780560 DWPAIBLLWUCDNG-UHFFFAOYSA-N 292.339 0.614 0 50 CCAA O=c1[nH]nc([C@@H]2CCCN(c3nccn4cnnc34)C2)o1 285516469 GIVSMCZDYWBUGR-MRVPVSSYSA-N 287.283 0.185 0 50 CCAA Cc1nccn1CC1(CNC(=O)[C@@H]2CNCCO2)CC1 215211335 PZBYLMMOOGSUDZ-LBPRGKRZSA-N 278.356 0.076 0 50 CCAA Cc1nnccc1C(=O)N1CC[C@H](N2CCOCC2)C1 362178715 JCMWVJNHVSESQE-LBPRGKRZSA-N 276.340 0.332 0 50 CCAA COc1cnc(N2CCC[C@@H](CCC(N)=O)C2)nc1 77504012 YDIQVGIPIIBSTB-JTQLQIEISA-N 264.329 0.967 0 50 CCAA CC[C@H](C)[C@H](NC(=O)OC)C(=O)O[C@H](C)c1nnnn1C 496281747 GSFSPYJLDQXTJW-YIZRAAEISA-N 299.331 0.585 0 50 CCAA CN1C(=O)CC[C@@H]1C(=O)NCC1(O)Cc2ccccc2C1 376653354 BXAFHBOJUCGLHJ-CYBMUJFWSA-N 288.347 0.253 0 50 CCAA Cc1nc2c(c(NC[C@@H](O)C(F)(F)F)n1)CCNCC2 72453986 CJZMJKUHZUDRNF-SNVBAGLBSA-N 290.289 0.808 0 50 CCAA O=C(COC[C@H]1CCCO1)N1CCC(n2cnnc2)CC1 221450514 QXJSKHBGFGKVGS-CYBMUJFWSA-N 294.355 0.637 0 50 CCAA COCCN(C)C(=O)c1cn(C(C)C)cc(C(=O)O)c1=O 426546229 QLSOUTMCYSFHFO-UHFFFAOYSA-N 296.323 0.846 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)CCc1csc(N)n1 222500937 FEKLUIFIHULGTC-GHMZBOCLSA-N 299.396 0.968 0 50 CCAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CCNC3)C2)no1 237772558 CCZQRFZKDRSXOG-NWDGAFQWSA-N 278.356 0.769 0 50 CCAA C[C@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)[C@@H]1CN 237711515 FKNFLRAIFHDWTR-JOYOIKCWSA-N 278.356 0.323 0 50 CCAA COc1ccc(F)c(CN2CCO[C@H](C(N)=O)C2)c1 97499533 RIOHIRDBVJXIHL-LBPRGKRZSA-N 268.288 0.520 0 50 CCAA C[C@@H]1CN(C(=O)CCc2nncn2C)C[C@@]1(O)C1CCC1 91445222 BQKAXYHVCMWQBA-ABAIWWIYSA-N 292.383 0.757 0 50 CCAA CCc1ccnc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c1 181010538 RIYNUEGIHMLLQK-GFCCVEGCSA-N 287.319 0.664 0 50 CCAA CN(CCc1noc(C2CC2)n1)C(=O)[C@@H]1CCOC1 244734489 NGKBBJXGTKXBHN-SNVBAGLBSA-N 265.313 0.984 0 50 CCAA O=C1N(CC2CC2)CCNC12CCC1(CC2)OCCO1 601013354 SDMMQQYHQYUFEJ-UHFFFAOYSA-N 280.368 0.884 0 50 CCAA COC(=O)[C@](C)(NC(=O)[C@H]1OCC[C@H]1C)C1CC1 252584521 AUTFSJMJCLOMLF-DFAYQTQMSA-N 255.314 0.869 0 50 CCAA CCCS(=O)(=O)NC1CCN(c2cnccn2)CC1 298389890 DDUIPTMRCMOORY-UHFFFAOYSA-N 284.385 0.775 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 299740265 XSKBZVKRRHFRDU-ZNMIVQPWSA-N 295.427 0.827 0 50 CCAA O=C(NCCCc1nccs1)c1ccc2nnnn2c1 534640204 SZXYGDQNZMZDED-UHFFFAOYSA-N 288.336 0.943 0 50 CCAA CSCC(=O)NCC[C@@H](C)N1CCN(C)CC1 534652414 QDMXMPCNJLDQFT-LLVKDONJSA-N 259.419 0.492 0 50 CCAA CN(C)CCN1CC(=O)Nc2cc(F)c(F)cc2C1=O 534586294 RGJYBXBTFLPROB-UHFFFAOYSA-N 283.278 0.921 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)CCN1CCCC1=O 534654429 RBFDYSPJEHFMEV-LLVKDONJSA-N 293.371 0.878 0 50 CCAA COCCc1noc(CNC(=O)[C@@H](C)SC)n1 299786715 PNLBNJBMMNQXGT-SSDOTTSWSA-N 259.331 0.626 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NC(=O)CCn2nnnc2C)n1 299765732 CHPIFBOIBIMZBS-SNVBAGLBSA-N 291.359 0.390 0 50 CCAA O=C(NCCn1cncn1)[C@@H]1CCCCN1C(=O)C1CC1 299770832 RVFFLGVEWAHLOZ-LBPRGKRZSA-N 291.355 0.185 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1nc2ccccc2[nH]1 299778195 OOHIEIGDLKXIQF-VIFPVBQESA-N 289.291 0.879 0 50 CCAA CC(C)(C(=O)N1CCN(CCC(=O)O)CC1)n1cccc1 299799825 TYVMGCMWRKIIAX-UHFFFAOYSA-N 293.367 0.842 0 50 CCAA Cc1[nH]nc(CCC(=O)NC[C@@H]2CN(C)CCN2C)c1C 584893519 ZAAWSKPXVGJLRR-CYBMUJFWSA-N 293.415 0.321 0 50 CCAA CNc1ncccc1C(=O)N1CCO[C@@H](C(=O)N(C)C)C1 584902918 HDXJKWALXIJGRE-LLVKDONJSA-N 292.339 0.053 0 50 CCAA CN1C[C@]2(CCN(C3CCOCC3)C2)OCC1=O 670467827 ARXIQGDYETXGRR-ZDUSSCGKSA-N 254.330 0.099 0 50 CCAA NC[C@H](O)CNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 1548570901 JWBWIZVYUNNKJZ-DUVNUKRYSA-N 274.364 0.716 0 50 CCAA O=C(c1cc(O)cc(=O)o1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 1875297983 KOHYLXJUAQZNGW-BRPSZJMVSA-N 265.265 0.473 0 50 CCAA C[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)CO1 1875311294 SVXXCJCNJKMJSC-QHAQEBJBSA-N 253.298 0.637 0 50 CCAA Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H](N)C3)CC2)c1 1875315135 JLUMDVVAVHUVIH-BETUJISGSA-N 274.368 0.776 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)Nc2cnc(C)nc2)C1=O 886074785 YUHZLEMZMWZCFC-GFCCVEGCSA-N 292.339 0.751 0 50 CCAA C[C@]1(C2CC2)COCCN1C(=O)Cn1cncn1 890583070 ZGCSCYRGVNWCDJ-GFCCVEGCSA-N 250.302 0.306 0 50 CCAA CC(=O)N[C@H](C)C(=O)Nc1cc(C(F)(F)F)n(C)n1 1773724989 LHICFAUWIQTQBF-RXMQYKEDSA-N 278.234 0.902 0 50 CCAA Cc1ncc(C(=O)N(CCS(C)(=O)=O)C2CC2)n1C 901191706 XWDXOPJTFWCALZ-UHFFFAOYSA-N 285.369 0.378 0 50 CCAA O=C(O)CCN(Cc1ccccn1)S(=O)(=O)C1CC1 275081013 DQVWTOZUOOCWNM-UHFFFAOYSA-N 284.337 0.851 0 50 CCAA C[C@@H]1CN(C[C@@](C)(O)C(F)(F)F)C[C@H]1C(N)=O 408048902 RUKGMGCJPDRQPH-ZXFLCMHBSA-N 254.252 0.353 0 50 CCAA CC(C)[C@@H](CO)ONC(=O)[C@H]1CCCCC(=O)N1 408522272 GQRJCTVQXYFWHJ-NXEZZACHSA-N 258.318 0.110 0 50 CCAA C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@H](S(N)(=O)=O)C1 222081599 JZJCYSVYJWPTRI-VHSXEESVSA-N 291.417 0.043 0 50 CCAA CCNC(=O)N1CCN(c2cc(OC)ccn2)CC1 171584192 SQUMLTGCUWVMKR-UHFFFAOYSA-N 264.329 0.942 0 50 CCAA CNC(=O)c1ccc(CN(C)C(=O)[C@H]2C[C@H](F)CN2)cc1 188270422 XGVDSNUZLAOYOA-QWHCGFSZSA-N 293.342 0.705 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)N1CCCN(C)C(=O)C1 190818380 AIDWAEOVIJAMBE-GHMZBOCLSA-N 254.330 0.492 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2cnc[nH]2)C1 643812637 QAWAKHKLPKLVPL-CYBMUJFWSA-N 266.345 0.215 0 50 CCAA N=c1cc(CN[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc[nH]1 643960416 VNAMUINFJVGOBT-MJBXVCDLSA-N 276.384 0.571 0 50 CCAA COc1cccc2c1CCN(C(=O)C1(C(N)=O)CC1)C2 679916513 PYAHQGZTXYZTGI-UHFFFAOYSA-N 274.320 0.845 0 50 CCAA COCCN1C[C@@H](CNc2nccnc2N(C)C)CC1=O 1506428171 PHWBPVLTRIFXCT-LLVKDONJSA-N 293.371 0.449 0 50 CCAA Cc1cccnc1C(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704357846 YGXSMDBDAWJXKW-TZMCWYRMSA-N 298.346 0.856 0 50 CCAA CC[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(C(N)=O)C2)O1 408244165 AIBAUJGCOSGTQP-BBBLOLIVSA-N 255.318 0.213 0 50 CCAA COC[C@@H]1CN(Cc2nc(N(C)C)no2)CC(C)(C)O1 330539168 RIOKZZFOQQVZCN-JTQLQIEISA-N 284.360 0.761 0 50 CCAA O=C1CNC(=O)N1CCCn1cc(-c2cccs2)nn1 1616038556 OAMZPUULRKXABP-UHFFFAOYSA-N 291.336 0.949 0 50 CCAA COc1ccc(NC(=O)NN2CCN(C)CC2)c(OC)c1 5060772 LIKGBLIGWAQXIG-UHFFFAOYSA-N 294.355 0.988 0 50 CCAA O=C([C@H]1CNCCOC1)N1CCCC2(CCOCC2)C1 1857694226 GMJHDLCSFQUMQA-ZDUSSCGKSA-N 282.384 0.642 0 50 CCAA O=C(Nc1cnn2ccccc12)N1C[C@@H](O)C[C@@H]1CO 640366803 WKJASJCINOWKOG-ZJUUUORDSA-N 276.296 0.294 0 50 CCAA O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2n1ccnc1-c1nccs1 1875250394 VFNJHQZZPGCFFX-ZYUZMQFOSA-N 279.321 0.706 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1CC(=O)N1CCCCCC1 643879913 BWRGSFJRIFCZBL-OAHLLOKOSA-N 298.383 0.955 0 50 CCAA O=C(O)C[C@H](NC(=O)[C@@H]1COCCO1)c1ccc(F)cc1 262310385 NQEQKXWPOVUHOG-RYUDHWBXSA-N 297.282 0.873 0 50 CCAA C[C@]1(C(=O)N=c2cc[nH]c3cccnc23)CCNC(=O)C1 905826327 FGRWQZCFBZPLHF-HNNXBMFYSA-N 284.319 0.907 0 50 CCAA COC[C@H](O)CN(C)C(=O)[C@H](C)N1[C@@H](C)CC[C@H]1C 239722392 CCPPLUNRWCBKGL-QNWHQSFQSA-N 272.389 0.713 0 50 CCAA CCc1cnc(N2CCN(C)[C@H](C(=O)O)C2)nc1 67879539 UFUYATLAKXQIAY-JTQLQIEISA-N 250.302 0.244 0 50 CCAA Cc1cc2n(n1)CCN(CC(=O)NC[C@@H]1CCCO1)C2 670451074 VHIHQJAKWAAZOR-ZDUSSCGKSA-N 278.356 0.302 0 50 CCAA O=C(CCc1cn[nH]c1)NCC[C@@H]1CCCCN1 534647300 GEYNHIYDWYLAAW-LBPRGKRZSA-N 250.346 0.991 0 50 CCAA Cc1cn2nc(C(=O)OCC3=NO[C@@H](C)C3)cc2c(=O)[nH]1 2325790814 MZCOLYYDXRKBAG-QMMMGPOBSA-N 290.279 0.653 0 50 CCAA CN1C[C@@](C)(NC(=O)N2C[C@@H]3CC[C@H](C2)O3)CCC1=O 2325803785 BERSLMYUSKQZPN-WDMOLILDSA-N 281.356 0.570 0 50 CCAA CO[C@H]1C[C@](NC(=O)c2cn3cccnc3n2)(C(=O)O)C1 2325848868 UTAODLYUUNUIMQ-KTLJEJPDSA-N 290.279 0.091 0 50 CCAA CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccco2)C1 219271 OJALGCRYGRRSHQ-JTQLQIEISA-N 286.353 0.567 0 50 CCAA Cc1nn2c(nc1=O)SC[C@]2(O)c1ccccc1 314553 SEQOLXYTJADPPU-LBPRGKRZSA-N 261.306 0.746 0 50 CCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1C 1926615 OKDNDLFNKSOVPM-LBPRGKRZSA-N 292.335 0.779 0 50 CCAA CCOC(=O)[C@@H](NC(C)=O)[C@@H](O)c1cccc(N)c1 2907424 KORALONGOVHBBY-RYUDHWBXSA-N 266.297 0.370 0 50 CCAA NC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1CCCCC1 121988625 QEKIVWVYCKXZLI-WDEREUQCSA-N 253.346 0.289 0 50 CCAA COCc1ccc(CN(C)C[C@@H]2C[C@@H](O)CN2)cc1 328598971 PMJUJYOWSNLIFK-LSDHHAIUSA-N 264.369 0.988 0 50 CCAA CCCc1nc(CS(=O)(=O)[C@@H](C)[C@H](C)O)no1 330928699 XTUIAWNHIFWJTA-YUMQZZPRSA-N 262.331 0.706 0 50 CCAA COC[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)CC1 332194481 ABSUDUMPWCUSAC-GFCCVEGCSA-N 292.401 0.312 0 50 CCAA CCC[C@H](CC(=O)O)NC(=O)c1nnc2nc(C)ccn12 219185030 NFMPPQWQTHFXHZ-SECBINFHSA-N 291.311 0.806 0 50 CCAA CC[C@H](C)N1CCN(C(=O)CC[C@H]2CCC(=O)N2)CC1 333961549 LZTMXUFFINNMIG-QWHCGFSZSA-N 281.400 0.988 0 50 CCAA CCc1cc(NC[C@H]2CC(C(N)=O)=NO2)nc(C)n1 241911266 UBBKWGGKGDSPEZ-SECBINFHSA-N 263.301 0.390 0 50 CCAA O=C(NCc1nc[nH]n1)c1cc(-c2ccco2)[nH]n1 358571011 OHGLNTWNZMGPHG-UHFFFAOYSA-N 258.241 0.718 0 50 CCAA O=c1c2nnn(-c3ccccc3)c2ncn1CC1(O)CCC1 341543582 XRJOLGBKSHFDAO-UHFFFAOYSA-N 297.318 0.892 0 50 CCAA CC1(C(=O)N[C@@H]2CCC(=O)NC2=O)CCCCC1 156482137 JNBIRIWPQKMVQL-SECBINFHSA-N 252.314 0.878 0 50 CCAA N[C@@H](C(=O)NCCSc1cn[nH]n1)c1ccccc1 71589508 HDJFGDYCYLYGQT-LLVKDONJSA-N 277.353 0.713 0 50 CCAA CC(C)C[C@H](O)C(=O)N1CCC2(CC1)CN(C)C(=O)O2 72430531 LVZCJTAIZOHVAQ-NSHDSACASA-N 284.356 0.837 0 50 CCAA C[C@@](O)(CNS(=O)(=O)CCC1CCCCC1)C(=O)O 263486127 MTONBRUMMYJJPR-GFCCVEGCSA-N 293.385 0.712 0 50 CCAA CS(=O)(=O)c1ccc(NC(=O)C[C@H]2CCCCO2)nn1 1548453262 YTUPPTOIEIOWDG-SECBINFHSA-N 299.352 0.778 0 50 CCAA Cc1nnc(CNC(=O)c2ccc3nccn3c2)o1 221451744 YURKJIFTVSVCJD-UHFFFAOYSA-N 257.253 0.956 0 50 CCAA CCO[C@@H]1COCC[C@@H]1NC(=O)c1nc[nH]c2nccc1-2 613497053 BHXXQZYKQWZMDE-WDEREUQCSA-N 290.323 0.833 0 50 CCAA Cc1ccnc(N2CCC[C@@H](NS(C)(=O)=O)C2)c1 131352934 HELCCUQOPOILAY-LLVKDONJSA-N 269.370 0.908 0 50 CCAA COC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)Cc1ccncc1 82087870 NSSAEBIFQIHMBL-RYUDHWBXSA-N 295.314 0.919 0 50 CCAA CCc1nccn1CCNC(=O)[C@H](C)N1CCN(C)CC1 426411231 FKKCUJMILBPQRU-ZDUSSCGKSA-N 293.415 0.198 0 50 CCAA O=C1C[C@]2(CCN(c3cnc4ccccc4n3)C2)C(=O)N1 82172060 ZAEPLRQLAJFOQD-HNNXBMFYSA-N 282.303 0.873 0 50 CCAA CCOCCCN=c1cc([C@@H]2CCOC2)nc(N)[nH]1 426414654 ODMFZRDYXKQVIS-SNVBAGLBSA-N 266.345 0.823 0 50 CCAA Cc1nn(C)c2nc(N[C@@H](C)c3n[nH]c(=O)[nH]3)sc12 95516475 FQCUHWJRNGLLFD-YFKPBYRVSA-N 279.329 0.923 0 50 CCAA O=C(O)[C@@H](O)CNS(=O)(=O)c1ccc(C2CC2)cc1 296964269 OCZCLRWSXNNPEW-NSHDSACASA-N 285.321 0.288 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@@H]1[C@H]3[C@H]4[C@@H]2[C@@H]2[C@@H]4[C@]3(c3ccccc3)[C@@H]21 248025154 JHJJFIMWKFHTAP-IEGRMKKLSA-N 293.326 0.518 0 50 CCAA COCCN1C[C@@H](Cc2cc(OC)nc(OC)n2)CC1=O 244811362 SBMKROYHZWSVAU-JTQLQIEISA-N 295.339 0.531 0 50 CCAA CCS(=O)(=O)NCCNC(=O)c1ccccc1NC 298723610 UVRILFQOSIACEE-UHFFFAOYSA-N 285.369 0.397 0 50 CCAA CC(C)CCO[C@H](C)C(=O)N1CCO[C@H](C(=O)O)C1 299751031 PGGJAVISTMVQKW-MNOVXSKESA-N 273.329 0.750 0 50 CCAA Cc1cc(N2CCC([C@H](O)C(=O)NC3CC3)CC2)ncn1 299750382 NHXHTFQJDQKEKG-AWEZNQCLSA-N 290.367 0.641 0 50 CCAA COCCN1C[C@@H](Cc2cc(N(C)C)ncn2)CC1=O 252482683 DMAGUGQEFGWCIU-NSHDSACASA-N 278.356 0.580 0 50 CCAA OCc1ccc2c(c1)CN(C[C@H]1COCCO1)CCO2 252479983 BREVAYUITCQMMJ-AWEZNQCLSA-N 279.336 0.789 0 50 CCAA Cc1cc(=O)n(CCN2CCC[C@H](C(=O)O)C2)c(O)n1 253536110 ACVDAPFFNNVTJO-JTQLQIEISA-N 281.312 0.054 0 50 CCAA CN(C)c1nc(Cl)nc2c1ncn2CC(=O)O 263584726 JBLBPDIWCMLKQB-UHFFFAOYSA-N 255.665 0.630 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cc2n[nH]c3ccccc23)CCO1 262981855 NCTOYRFFKJHDPK-LBPRGKRZSA-N 289.291 0.417 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1n[nH]c2c1CCCC2 534650116 KIHSGUBSYBTUMQ-GHMZBOCLSA-N 288.351 0.838 0 50 CCAA Cc1cnc(CNC(=O)CN2CC[C@@H](N(C)C)C2)cn1 299787944 UCZSRWJTAIGMQI-CYBMUJFWSA-N 277.372 0.037 0 50 CCAA O=C(c1cnn[nH]1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 299763737 QKBIAVDNGOMQQN-VXGBXAGGSA-N 275.356 0.751 0 50 CCAA Cc1cccnc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299793364 IRDIOZGSFCEIOY-STQMWFEESA-N 299.334 0.968 0 50 CCAA CC1(CNC(=O)CCN2CCCCCC2=O)COC1 828021993 NALAKVVYNUQAEQ-UHFFFAOYSA-N 268.357 0.932 0 50 CCAA COC(=O)CC[C@@H]1NC(=O)[C@H](c2ccccc2)NC1=O 824146427 AQQYWTXQRJXGDD-JQWIXIFHSA-N 276.292 0.296 0 50 CCAA C[C@H](CS(C)(=O)=O)NCCCc1csc(N)n1 821381903 DJDNKFJAZNULFE-MRVPVSSYSA-N 277.415 0.681 0 50 CCAA Cc1ocnc1C(=O)NC[C@@H]1COCCN(C)C1 584904182 VPDFQZWYQXBELO-JTQLQIEISA-N 253.302 0.291 0 50 CCAA Cn1nc(CO)c2c1CCN([C@H]1CCSC1)C2 584901703 QRUVMPRHBNBGRF-VIFPVBQESA-N 253.371 0.776 0 50 CCAA COCC(=O)NC1CCN(C(=O)N2CCCC2)CC1 670453080 PKIMNDSKAMQDOA-UHFFFAOYSA-N 269.345 0.429 0 50 CCAA CCn1nc(C)c(CNC(=O)[C@@](C)(O)C2CCC2)n1 1557133977 GVAFSFWZIRUYCZ-ZDUSSCGKSA-N 266.345 0.774 0 50 CCAA Cc1ccc(NC(=O)CN2CC[C@H](c3nn[nH]n3)C2)cc1 952883575 PHABFZDJVNCBMS-NSHDSACASA-N 286.339 0.936 0 50 CCAA O=S(=O)(N[C@H]1COCC[C@@H]1Oc1ccccn1)C1CC1 1565526034 SVWBHFJQQHFHNL-RYUDHWBXSA-N 298.364 0.700 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1csc2cncn12 1875276451 KJOIEIHKMSKCOM-ZDUSSCGKSA-N 294.380 0.862 0 50 CCAA C=CC(=O)N1CCC(C(=O)N(C)C[C@@H](O)CF)CC1 1875369746 DXPYSKWIHPBHRQ-NSHDSACASA-N 272.320 0.200 0 50 CCAA Cc1cc(O)nc(NC(=O)c2cc3ncccn3n2)n1 1875333233 JWBVKDGESAXPBW-UHFFFAOYSA-N 270.252 0.786 0 50 CCAA Cn1ccc2nc[nH]c(=NCc3cc(C(=O)O)n[nH]3)c21 1875333514 ZIOGLOGMBDLHGQ-UHFFFAOYSA-N 272.268 0.424 0 50 CCAA Cc1cc(=NC(=O)CCn2c(C(C)C)noc2=O)[nH]o1 1875391690 UFCNYKUVMXTCHW-UHFFFAOYSA-N 280.284 0.707 0 50 CCAA OC[C@H]1CCCN(CCNCc2nccs2)C1 952977495 XTHHZMLYMDEHLU-NSHDSACASA-N 255.387 0.937 0 50 CCAA CC[C@@H]1C(=O)NCCCN1C(=O)COc1cc(C)on1 886513397 BWZRNXIPQFHNQO-SNVBAGLBSA-N 281.312 0.489 0 50 CCAA O=C(c1cnsn1)N1CCCC[C@H]1Cc1nn[nH]n1 1775987669 PMLGTVZSYYMQTA-ZETCQYMHSA-N 279.329 0.289 0 50 CCAA CC(C)CN1C[C@H](C(=O)NC[C@H](C)c2ncon2)CC1=O 1364243769 OLIBQIUIZHMNPO-WDEREUQCSA-N 294.355 0.794 0 50 CCAA O=C(O)[C@H]1[C@H]2CN(C(=O)[C@H]3Cc4cccnc4C3)CC[C@H]21 1574403474 OYHPKQOQXUYZNL-KZVDOYCCSA-N 286.331 0.976 0 50 CCAA COc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)ncn1 681229598 OJBURJUDLWUSIO-NWDGAFQWSA-N 278.356 0.521 0 50 CCAA COc1ncc(CN2C[C@@H](O)C[C@H]2CO)cc1Cl 547523543 SKYMTINTNYNERK-UWVGGRQHSA-N 272.732 0.671 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@H](C)c1nn(C)cc1OC 1597601269 WCLVDGNHKXBZEK-SNVBAGLBSA-N 294.355 0.640 0 50 CCAA C[C@@H]1CN(S(=O)(=O)C[C@@H]2CN(C)CCO2)CC[C@H]1C 632165041 UVZSZLILNLXSEP-UPJWGTAASA-N 290.429 0.625 0 50 CCAA CC(C)C[C@H](O)CNC(=O)Cn1cc(C2CC2)nn1 305064815 LKEUESIOVKQCNP-NSHDSACASA-N 266.345 0.679 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C[C@@H](O)CN1CCCC1 685940565 OHFYOGMXPGBCRY-GXTWGEPZSA-N 286.372 0.009 0 50 CCAA COC(=O)[C@@H]1CSCN1C(=O)[C@H]1CCCCC(=O)N1 408523983 WXEKWBPPQGVXSR-BDAKNGLRSA-N 286.353 0.120 0 50 CCAA O=C(CO[C@@H]1CCOC1)OCc1ccc2[nH]nnc2c1 170652320 JHZJZBGAPHKLIK-SNVBAGLBSA-N 277.280 0.807 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)O)[C@@H]2C1 307664826 ZMNHADCKOZUFOT-CIUDSAMLSA-N 257.286 0.953 0 50 CCAA CCN(CC(N)=O)C(=O)[C@H]1OCCc2ccccc21 189729340 LHNPPRLRDVTQEH-ZDUSSCGKSA-N 262.309 0.634 0 50 CCAA CC(C)N(C)CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 190019117 GPUCUCWIDNLYCM-GXTWGEPZSA-N 280.372 0.707 0 50 CCAA C[C@]1(O)C[C@@H](NC(=O)c2cccnc2N2CCOCC2)C1 568488959 HESIUCLEMICKDU-WGRBQBNCSA-N 291.351 0.561 0 50 CCAA Cc1ncccc1C(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1 583618925 IBYCICSXIPMESI-AWEZNQCLSA-N 287.323 0.632 0 50 CCAA Cc1ccn(-c2ccc(N3C[C@@H]4C[C@@]4(CO)C3)nn2)n1 782401561 FEJOCXSFPWARKC-FZMZJTMJSA-N 271.324 0.789 0 50 CCAA COC(=O)CN1CCN([C@H]2CCC(C)(C)C2)CC1=O 1857701077 LPQDPHKALPGCQU-NSHDSACASA-N 268.357 0.882 0 50 CCAA NC(=O)N1CCN(c2nc(C(F)(F)F)ns2)CC1 1614999303 PZXCNBNSSWFTAC-UHFFFAOYSA-N 281.263 0.758 0 50 CCAA CCn1cncc1S(=O)(=O)N1C[C@H](N)C2(CCC2)C1 1615059018 UFRCVBQWSHAAKK-JTQLQIEISA-N 284.385 0.405 0 50 CCAA Nc1ccn2ncc(C(=O)N[C@@H]3CCCC[C@H]3O)c2c1 1615615564 ROLYQVUXBZQRJJ-DGCLKSJQSA-N 274.324 0.950 0 50 CCAA CN1C[C@H](CN2CCC3(CCC(=O)NC3)CC2)CCC1=O 1775984176 IWXBEVGUOCPMDY-CYBMUJFWSA-N 293.411 0.847 0 50 CCAA COC(=O)[C@@H]1C[C@@H](N)CN1C(=O)OCc1ccccc1 12506595 DMYAHNRIJNKMAH-NEPJUHHUSA-N 278.308 0.898 0 50 CCAA CNC(=O)C[C@H]1CN(c2ncc3ccccc3n2)C[C@@H]1O 1857529092 RPZGCCNRLNUGIZ-AAEUAGOBSA-N 286.335 0.563 0 50 CCAA CCc1nccn1CCC(=O)N1C[C@@H]2CC(=O)N[C@@H]2C1 1857667437 MXUJLJRJBNOVFC-WDEREUQCSA-N 276.340 0.183 0 50 CCAA COC(=O)c1cnc(N2CC[C@@H]3CCN(C)C[C@H]32)nc1 408028946 VJGYULXRJZTMKO-CMPLNLGQSA-N 276.340 0.794 0 50 CCAA Cc1cc(CNC(=O)c2ccc(O)nc2)nc(N(C)C)n1 252491683 LQQRUPCBLFTSLB-UHFFFAOYSA-N 287.323 0.882 0 50 CCAA CN1CCOc2ccc(C(=O)N[C@@H]3CC[C@H]3O)cc21 819685079 DWJBNIRHEKEWTD-ZYHUDNBSSA-N 262.309 0.768 0 50 CCAA NC1(CC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CCC1 237989454 SXVPAYMRDUDYBT-NWDGAFQWSA-N 268.357 0.664 0 50 CCAA NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(F)cc2F)C1 285572849 PXPKAEYQNJJZJL-ZDUSSCGKSA-N 284.262 0.417 0 50 CCAA Cc1nc([C@@H](C)NC2CCN(S(C)(=O)=O)CC2)n[nH]1 65403616 GIQKWHPVXVWYDP-MRVPVSSYSA-N 287.389 0.188 0 50 CCAA Cc1cc(C)c(C(=O)N2CCOC[C@@H](CO)C2)c(=O)[nH]1 77553485 NMQIAEVPKBSGDX-LLVKDONJSA-N 280.324 0.073 0 50 CCAA CN(C(=O)c1cc(=O)cc[nH]1)[C@H]1CC[C@H](O)CC1 935563424 ZWXCJSFLZIXSEZ-MGCOHNPYSA-N 250.298 0.750 0 50 CCAA CC(=O)N[C@@H]1C[C@@H](C(=O)N2CCCC2)CC[C@H]1O 2100542634 BILMRWJOQLUVCN-QJPTWQEYSA-N 254.330 0.275 0 50 CCAA CC(C)c1ncc(C(=O)N[C@H]2C=CS(=O)(=O)C2)[nH]1 2325779295 VUTLLHIBNISUSF-QMMMGPOBSA-N 269.326 0.574 0 50 CCAA CCc1ncc(CN=c2[nH]c(C(=O)OC)ns2)c(=N)[nH]1 2325821427 NKBFTLQBAVEOLI-UHFFFAOYSA-N 294.340 0.124 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(CCNC(=O)CN2)C1 2325712103 JSHCITLZBIAHNQ-ZDUSSCGKSA-N 269.345 0.476 0 50 CCAA COCCCNC(=S)NCCN1CCCCC1 4546188 UDXRJEUQFNRZNF-UHFFFAOYSA-N 259.419 0.973 0 50 CCAA CCS(=O)(=O)N(C)c1ccc(C(=O)NC)cc1 6697028 QEZBZGFEAIJQBO-UHFFFAOYSA-N 256.327 0.832 0 50 CCAA O=C(O)[C@@H]1[C@@H](C(=O)Nc2nncs2)[C@H]2C=C[C@H]1C2 101699618 DTBVBKURAWEEKE-XAMCCFCMSA-N 265.294 1.000 0 50 CCAA Cc1nc(NCc2n[nH]c(=O)[nH]2)cc([C@@H]2CCCNC2)n1 67908645 MLKGXTDAWVGYBF-SECBINFHSA-N 289.343 0.276 0 50 CCAA CN1CCCC[C@H]1CCC(=O)NCCS(C)(=O)=O 65454478 FNRYQLMMQIIWIE-NSHDSACASA-N 276.402 0.412 0 50 CCAA COc1cccc(CNC(=O)CN2C[C@@H](F)C[C@H]2CO)c1 346380696 UXQOTFPUNQGWOE-STQMWFEESA-N 296.342 0.716 0 50 CCAA COC(=O)[C@@H]1C[C@@H](N(C)C)CN1C(=O)c1cccnc1C 65394377 ZVMIOWONVORDHE-YPMHNXCESA-N 291.351 0.708 0 50 CCAA CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C(=O)O 123016346 FXIOIVHLBJTIDY-BDAKNGLRSA-N 256.302 0.128 0 50 CCAA C=CC(=O)NCCC(=O)N1CC[C@@H](Oc2ccncc2)C1 364216068 MJKNIWSEVLLBSY-CYBMUJFWSA-N 289.335 0.754 0 50 CCAA CN(CCn1ccnc1-c1ccc(CO)o1)S(C)(=O)=O 77302793 WQSRCQBFCNPJLA-UHFFFAOYSA-N 299.352 0.527 0 50 CCAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@@](C)(O)CC1 373418306 POSQFCJCHZKXEW-CQSZACIVSA-N 297.355 0.080 0 50 CCAA CCCc1cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)no1 448817703 FUDLABPJQAGJRT-SNVBAGLBSA-N 295.339 0.604 0 50 CCAA CCN1C[C@H](C(=O)NCCCn2cc(C)cn2)CC1=O 95386943 APZNJSUXZBNFSD-GFCCVEGCSA-N 278.356 0.566 0 50 CCAA CC(C)n1ccc(C(=O)NCCc2nncn2C)n1 426470773 CYJKJNHAUYWXAC-UHFFFAOYSA-N 262.317 0.565 0 50 CCAA CO[C@](C)(C(=O)N1CCN(c2cnccn2)CC1)C1CC1 292593071 LTARNASHGCSDSO-HNNXBMFYSA-N 290.367 0.940 0 50 CCAA CCN(CCn1cccn1)C(=O)Nc1cn(C)nn1 96167227 KAMLYVJXWHQKCA-UHFFFAOYSA-N 263.305 0.566 0 50 CCAA CCNC(=O)N1CCC(NC(=O)c2ccc(O)cn2)CC1 299788514 UKFNXYQCJFZPMY-UHFFFAOYSA-N 292.339 0.711 0 50 CCAA Cc1cc(=O)c(C(=O)N(C)CCN2CCCC2)cn1C 577740052 ONDFPHNYNYSRNB-UHFFFAOYSA-N 277.368 0.862 0 50 CCAA CC(=O)NC(C)(C)C[C@@H](C)NC1CCS(=O)(=O)CC1 820978092 CDCLAYFDMDMNPW-SNVBAGLBSA-N 290.429 0.847 0 50 CCAA CCC1=NO[C@H](C(=O)NCc2csc(N)n2)C1 584889015 APQOMIFJLLZOJQ-QMMMGPOBSA-N 254.315 0.896 0 50 CCAA CN1CC[C@@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)C1 584898128 PYVFWCVMCWDYMV-CYBMUJFWSA-N 293.411 0.942 0 50 CCAA CN(Cc1noc(C2CC2)n1)C(=O)C1(C)COC1 1358307477 SYDJWRDXUBUGOJ-UHFFFAOYSA-N 251.286 0.942 0 50 CCAA CN1CCC(CN(C)C(=O)/C=C/c2cnc(N)nc2)CC1 952971708 MHNFUXFIKREPRK-ONEGZZNKSA-N 289.383 0.872 0 50 CCAA CCN(CCn1cccn1)S(=O)(=O)c1cn(C)c(C)n1 952976233 QREZXAWKZVVWTA-UHFFFAOYSA-N 297.384 0.636 0 50 CCAA CN1CCC(=O)Nc2cc(C(=O)NCC(=O)O)ccc21 269121634 HNTFDHSFUUBMSC-UHFFFAOYSA-N 277.280 0.279 0 50 CCAA CCC[C@@H]1C(=O)NCCN1C(=O)c1cnn2cccnc12 270922005 UYGJHZUBAOBALR-LLVKDONJSA-N 287.323 0.470 0 50 CCAA Cc1noc(CCC(=O)NS(=O)(=O)CC2CCC2)n1 165009453 WNRQMPPTWOVZNO-UHFFFAOYSA-N 287.341 0.557 0 50 CCAA Cn1nccc1C1CCN(C(=O)[C@H]2CSCN2)CC1 167175461 CSNTYPNIWPDKIX-LLVKDONJSA-N 280.397 0.789 0 50 CCAA Cc1nn(CC(=O)N2CCC[C@@H](OCC3CC3)C2)c(=O)o1 640136513 WHDUSSPLALJANL-GFCCVEGCSA-N 295.339 0.562 0 50 CCAA O=C(N[C@H]1[C@@H]2CNC[C@@H]21)N1CCOc2ccc(F)cc2C1 641922835 VVKPQOPMFMMJBN-IMRBUKKESA-N 291.326 0.948 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc[nH]1 644058255 ZLFBNFFYRHRJDH-LBPRGKRZSA-N 251.286 0.121 0 50 CCAA COC[C@H](O)CN1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 245343872 WFRGQZLJJAJBRL-MQYQWHSLSA-N 254.374 0.410 0 50 CCAA O=C(NC1CC1)[C@@H](O)C1CCN(Cc2cncs2)CC1 585655749 ZMYPZNNLAVNVEE-ZDUSSCGKSA-N 295.408 0.995 0 50 CCAA NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCCCF 1615001954 OUEZMRYRBSAYHU-NWDGAFQWSA-N 298.314 0.530 0 50 CCAA CNC(=O)[C@H]1CN(C[C@]2(C)CCCCO2)CCO1 1616034972 XULQUZNPLZAJCC-YPMHNXCESA-N 256.346 0.392 0 50 CCAA Cn1nnc2c1CCN(C(=O)OC(C)(C)C)[C@@H]2CO 306132396 LHLFQVGACGAZNZ-SECBINFHSA-N 268.317 0.642 0 50 CCAA in-vitro COc1cc(C)nc(N2CCC[C@@](O)(CO)C2)n1 413398709 KSTCQUHRLXTKPW-LBPRGKRZSA-N 253.302 0.117 0 50 CCAA Cn1c(=O)oc2cc(S(=O)(=O)NC3(C)CC3)ccc21 1857528769 GSBBTEFJJIJQOL-UHFFFAOYSA-N 282.321 0.962 0 50 CCAA Cc1ncc(CN(CCO)C(=O)CN(C)C2CCCC2)[nH]1 1704336474 WVALWNCIIGFZLC-UHFFFAOYSA-N 294.399 0.913 0 50 CCAA C=CC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 1875366505 QHONTZJZOYPBDB-LBPRGKRZSA-N 266.341 0.802 0 50 CCAA OC[C@]12CNC[C@H]1CN(CCCOc1ccccc1)C2 1775977924 NDYLSUOBQILDBI-GOEBONIOSA-N 276.380 0.969 0 50 CCAA CN1CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 19771169 CPCPOWFFVADGEB-CYBMUJFWSA-N 291.326 0.705 0 50 CCAA CN1C(=O)NCC12CN(C(=O)c1cccc3c1CCC3=O)C2 1857675154 MIOXUECNHHIAKB-UHFFFAOYSA-N 299.330 0.665 0 50 CCAA Cc1c(F)cccc1C(=O)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875250304 NSTLRXGUIOXPSS-UMSGYPCISA-N 281.283 0.391 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(CC(=O)NC)CC1 408382494 DBUOKUKJTANAPF-OLZOCXBDSA-N 297.399 0.082 0 50 CCAA Cc1nn(C)c(NC(=O)c2cnc(C(=O)O)cn2)c1C 647199243 UGESSEMPSKPLHL-UHFFFAOYSA-N 275.268 0.777 0 50 CCAA O=C(O)CS(=O)(=O)C12CC(Br)(C1)C2 1857781369 NAKIVZJTQVNZGD-UHFFFAOYSA-N 269.116 0.556 0 50 CCAA C[C@@H]1CN(C)C[C@H](c2nc(-c3nccn3C)no2)O1 857086889 ZCDXBTOCZNOZGO-RKDXNWHRSA-N 263.301 0.862 0 50 CCAA Cc1cc(-n2cccn2)nc(=NCc2n[nH]c(C)n2)[nH]1 1875273237 IEDADPOQTQBCTC-UHFFFAOYSA-N 270.300 0.431 0 50 CCAA COc1ccc(F)cc1[C@H](O)CN1CCCNC(=O)C1 1875292185 ZPEDACGBIZPYIC-GFCCVEGCSA-N 282.315 0.690 0 50 CCAA O=C(N[C@H]1CCN(C(=O)N=c2[nH]ncs2)C1)C1CC1 1875266867 TUOSPANWILQXKB-QMMMGPOBSA-N 281.341 0.092 0 50 CCAA O=C1C[C@@H](CC(=O)N2CCc3c(F)ccc(F)c32)C(=O)N1 1875271685 BTMUAIMNKOCYSM-ZETCQYMHSA-N 294.257 0.907 0 50 CCAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2CCCS2)CS1 1875300791 QPQSDNJGCFVFAE-FXQIFTODSA-N 261.368 0.957 0 50 CCAA C[C@@H]1NCC[C@@H](C)[C@@H]1NC(=O)/C=C/c1cncn1C 1775984630 NYKOPPSRTWSQBF-QDXQHUEUSA-N 262.357 0.936 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)[C@H](O)c1ccccc1 129424708 OSIWWWGJFRWLMR-DGCLKSJQSA-N 279.292 0.422 0 50 CCAA Cc1cc(NC[C@H]2CCN(S(C)(=O)=O)C2)ncn1 157328453 DTKLHNVWECLOFP-SNVBAGLBSA-N 270.358 0.478 0 50 CCAA O=C(Cc1cccc(F)c1F)N1CCO[C@H]2CNC[C@H]21 299744560 SVZZJPYFZXFZDO-NEPJUHHUSA-N 282.290 0.707 0 50 CCAA CN1CCOC[C@@H]1C(=O)N1CCC(C2(O)CC2)CC1 652659057 MLCYVPQJYZDKPF-GFCCVEGCSA-N 268.357 0.081 0 50 CCAA Cc1nnc(CN2CCN3C(=O)OC[C@H]3C2)s1 374975326 CHEPNHBUWOQJPJ-MRVPVSSYSA-N 254.315 0.483 0 50 CCAA CC[C@H](NC(=O)c1ccc(C(N)=O)cc1)[C@@H](C)O 387269697 LXULYNGBCHHVCG-KCJUWKMLSA-N 250.298 0.675 0 50 CCAA Cc1nc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)cs1 1118506806 RTTKRZYBNVQPED-BXKDBHETSA-N 268.338 0.985 0 50 CCAA O=C(O)[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2O)C1 2325761696 AAXGAQMRFURKJG-ZETCQYMHSA-N 289.284 0.627 0 50 CCAA NC[C@H]1C[C@@H](NC(=O)NCC[C@H](N)Cc2ccccc2)C1 2325766240 GKHUVTQPPQTIJA-SOUVJXGZSA-N 290.411 0.983 0 50 CCAA CC1CC(NC(=O)c2cn3cccnc3n2)(C(=O)O)C1 2325788390 CCSBRDWWGWVEAI-UHFFFAOYSA-N 274.280 0.712 0 50 CCAA C[C@]1(CO)COCCN(c2nc(=N)[nH]c3c2CCCC3)C1 2325800454 IMIRJXSKHURCDN-HNNXBMFYSA-N 292.383 0.603 0 50 CCAA CC(=O)SC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O 58131 ZNQRGUYIKSRYCI-CBAPKCEASA-N 259.327 0.978 0 50 CCAA CCc1ccc(OC[C@H](O)CN(CCO)CCO)cc1 2941470 JHJYUQKICKVURJ-CQSZACIVSA-N 283.368 0.275 0 50 CCAA O[C@H]1C[C@H]2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 4081860 VJILFEGOWCJNIK-MGRBZGILSA-N 289.331 0.829 0 50 CCAA biogenic,in-vitro CNC[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](C)C1 227726813 SGWWLJFBNMMEFZ-NEPJUHHUSA-N 275.418 0.647 0 50 CCAA Cc1c(NC(=N)NC(N)=O)c(=O)n(-c2ccccc2)n1C 22203586 HWQYZXVOUIEMKV-UHFFFAOYSA-N 288.311 0.499 0 50 CCAA Cc1ncsc1CCNC(=O)Nc1nnn[nH]1 23506782 QBVZHNJRSFYBPS-UHFFFAOYSA-N 253.291 0.329 0 50 CCAA COC[C@@H](NCC(=O)Nc1cnccn1)c1ccnn1C 65408259 OAZACMBAXQQXNL-SNVBAGLBSA-N 290.327 0.126 0 50 CCAA CN(C)C(=O)c1cc(N2C[C@@H](C(=O)O)CC2=O)ccc1O 65494746 WQWKOVLPOYYNII-QMMMGPOBSA-N 292.291 0.532 0 50 CCAA COc1cc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)ccc1F 313872090 LTTIDPNCAWCRHA-AWEZNQCLSA-N 296.298 0.287 0 50 CCAA O=C(NC1(c2nn[nH]n2)CC1)c1cc[nH]c1C1CC1 355027498 CXYADCYNHLLVPM-UHFFFAOYSA-N 258.285 0.824 0 50 CCAA CC1(C)CN(C(=O)C(=O)N2[C@H]3CCC[C@H]2CC3)CCN1 335057528 FLPRRBQUYFPIKP-RYUDHWBXSA-N 279.384 0.740 0 50 CCAA Cc1c(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)cnn1C 261587136 UWAAJZWVBIFAFB-NXEZZACHSA-N 272.374 0.134 0 50 CCAA O=C(Cc1cnccn1)N1CCC(N2CCCC2=O)CC1 216412539 CRRMNSLCSSRZJN-UHFFFAOYSA-N 288.351 0.633 0 50 CCAA COC[C@](C)(NC(=O)Cc1cc(C)on1)C(=O)O 262090177 LMADGIDDTJHVFI-NSHDSACASA-N 256.258 0.131 0 50 CCAA C[C@@H](NC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)O 262760610 LKTFJZMQODRTKY-LDYMZIIASA-N 294.282 0.768 0 50 CCAA CCCOc1nccnc1N1CC[C@@H](S(N)(=O)=O)C1 527894195 QSORYWGEDZIJMU-SECBINFHSA-N 286.357 0.133 0 50 CCAA Cc1nc(C)c(Cc2nc(-c3cccnn3)no2)c(=O)[nH]1 91460618 XBVTXWUWOHJOKN-UHFFFAOYSA-N 284.279 0.818 0 50 CCAA COCCn1cnnc1CNC(=O)N1CCCO[C@@H](C)C1 426503495 LJGUQJBPLMNVFH-NSHDSACASA-N 297.359 0.245 0 50 CCAA CC(C)CN(CC(=O)O)C(=O)c1cccc(=O)[nH]1 232580491 VGAGMYNTTIOMQR-UHFFFAOYSA-N 252.270 0.558 0 50 CCAA CCCn1cnnc1[C@H](C)NC(=O)N(C)CCC(=O)NC 426478627 AIIZKMMSFSEQMU-JTQLQIEISA-N 296.375 0.527 0 50 CCAA CC(=O)NC(C)(C)C(=O)NCCc1noc(C2CCC2)n1 426370883 ZIUAMDYDXQMGDJ-UHFFFAOYSA-N 294.355 0.911 0 50 CCAA CCCN1CCC(CC(=O)NCCc2n[nH]c(=O)[nH]2)CC1 95372217 PZAHAKLAIDTHJF-UHFFFAOYSA-N 295.387 0.269 0 50 CCAA CCc1ccccc1OC1CN(C(=O)[C@@H](N)CO)C1 95365472 FUDTUCTYLJOXDC-LBPRGKRZSA-N 264.325 0.158 0 50 CCAA C[C@@H](NC(=O)Cn1ccc(=O)cc1)C1CCN(C)CC1 252499217 RXHBMMADWONJEG-GFCCVEGCSA-N 277.368 0.695 0 50 CCAA NC(=O)CN(CCC1CCCCC1)C(=O)[C@@H]1C[C@H]1C(=O)O 299749278 JUKGDYATSLVSAW-VXGBXAGGSA-N 296.367 0.991 0 50 CCAA O=C(NCCn1ccnn1)c1nnc2n1CCCCC2 534576061 RQBWYQRUMTUCEN-UHFFFAOYSA-N 275.316 0.026 0 50 CCAA Cc1cccn2c(CNC(=O)CCCn3cnnn3)cnc12 534582794 IIVLEGKCAFPDJM-UHFFFAOYSA-N 299.338 0.726 0 50 CCAA Cc1cnc([C@@H](C)NC(=O)Cn2cc(C)c(O)nc2=O)[nH]1 534662660 ZECMPECEWGUENN-SECBINFHSA-N 291.311 0.166 0 50 CCAA COc1ccc(NC(=O)NC[C@]2(O)CCNC2)c(OC)c1 299792240 DVMZFAIJTLZDHF-AWEZNQCLSA-N 295.339 0.550 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCCN2CCC[C@H](O)C2)o1 299796305 PMFAVWGUABYIEE-LBPRGKRZSA-N 294.351 0.525 0 50 CCAA COc1cc(NCCCN2CCC[C@H](O)C2)nc(N)n1 824564399 QOVBOWSJJBNWFJ-JTQLQIEISA-N 281.360 0.326 0 50 CCAA O=C1CC(C(=O)NCCCN2CCCC[C@H]2CO)C1 828710962 RUKCXXCSXSKTML-LBPRGKRZSA-N 268.357 0.319 0 50 CCAA CCN1CCC[C@H]1CN1CCC2(CC1)CNCCO2 823110195 MZAPVCWMRUKGDE-AWEZNQCLSA-N 267.417 0.925 0 50 CCAA CN1CCN(C(=O)c2cccc3c2CCC3=O)CC1=O 584884774 MWEUCYDSCLETOU-UHFFFAOYSA-N 272.304 0.730 0 50 CCAA Cc1[nH]ccc1C(=O)NCCN1CCC[C@H](CO)C1 670465615 KXXRWSZOXZXWFY-LBPRGKRZSA-N 265.357 0.757 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cccnc2)[C@H]2CCO[C@H]21 1074566442 HHFBRJRVQAZKDP-MROQNXINSA-N 262.309 0.861 0 50 CCAA Cc1c(O)cccc1C(=O)NC[C@H]1CCNC[C@@H]1O 1565509504 YSHUDILCWGTNNF-MFKMUULPSA-N 264.325 0.401 0 50 CCAA COCCCN[C@@H]1CCC[C@H]1CNS(C)(=O)=O 408516904 XLPHGVWZTWWAPM-WDEREUQCSA-N 264.391 0.330 0 50 CCAA CCc1cc(N2CCC[C@](O)(c3cnn[nH]3)C2)nc(C)n1 583616896 VUSMMZBIMJAORH-CQSZACIVSA-N 288.355 0.954 0 50 CCAA COC[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)O 547561845 UOVFLUJORLLNLA-VIFPVBQESA-N 299.304 0.811 0 50 CCAA Cc1cc(C(=O)NC2CCN(C(=O)C(=O)O)CC2)c(C)o1 170596112 QZNBYMXSEQYDKP-UHFFFAOYSA-N 294.307 0.702 0 50 CCAA Nc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CC2)C1 643222671 CYXUWZVDTCSXFF-UHFFFAOYSA-N 295.364 0.469 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CC[C@H](C)C1 647293330 AYJXFRODQJNHPX-DCAQKATOSA-N 279.381 0.205 0 50 CCAA O=C(NCCOc1cccc(F)c1)[C@@H]1C[C@@H]2OCC[C@@H]2N1 1615591359 NFJBRBRCCJIWRI-IHRRRGAJSA-N 294.326 0.840 0 50 CCAA CNC(=O)CN1CCC(N[C@@H]2COC[C@@H]2CC(C)C)CC1 1616040266 BWRBHEBCTFUNEQ-DZGCQCFKSA-N 297.443 0.848 0 50 CCAA CN(C)c1nc(NCc2nc(CO)cs2)n[nH]1 1656223459 HYPPDGZLSMSURS-UHFFFAOYSA-N 254.319 0.432 0 50 CCAA COCCOCC(=O)O[C@H](C)C(=O)O[C@@H](C)C(C)=O 1501018285 ZKYMRMZNNKZACT-VHSXEESVSA-N 276.285 0.102 0 50 CCAA Cc1csc(CN2CCC[C@@H](NCCO)C2)n1 708554938 KXILLTAHYFBOCV-LLVKDONJSA-N 255.387 0.998 0 50 CCAA CN(C)S(=O)(=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704340023 CMRVXTFOQUVLFV-GHMZBOCLSA-N 262.375 0.420 0 50 CCAA CC1(C)CCC[C@H]1C(=O)N[C@@H]1CCC(=O)NC1=O 229009225 VPJGBUGEPOEHFV-DTWKUNHWSA-N 252.314 0.734 0 50 CCAA O=C(Nc1ccccc1)N1C[C@@H]2CNC[C@@]2(CO)C1 1772709539 NYEXQLJHCZOXBJ-FZMZJTMJSA-N 261.325 0.732 0 50 CCAA O=C(O)C[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O 5934696 JHEGVHCZUULIPW-QMMMGPOBSA-N 263.205 0.211 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ncnn3C)n[nH]c21 1857529173 XQXVPHOAYJFZMO-SFYZADRCSA-N 290.327 0.490 0 50 CCAA Cc1nc(N2C[C@@H](O)[C@H](CC(=O)O)C2)c2[nH]ccc2n1 1857718687 OEWUWKDPDSULMS-PSASIEDQSA-N 276.296 0.538 0 50 CCAA CCn1cnc(CNC(=O)[C@H]2CCc3ncnn3C2)c1 1857732516 UMPAFEZKYKMDFT-JTQLQIEISA-N 274.328 0.373 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc(Cl)o2)C1 643995773 OQYGJLZYEFKTLP-LBPRGKRZSA-N 286.715 0.776 0 50 CCAA CN1CCN(C(=O)c2cccnc2O)C[C@@H]1c1ncc[nH]1 328617951 DGFDMGKSVABWGK-LLVKDONJSA-N 287.323 0.639 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2cncc(F)c2)C1 644040120 WWCFFCLLWIYHCR-CQSZACIVSA-N 295.314 0.324 0 50 CCAA CO[C@H](CNC(=O)/C=C/CN(C)C)[C@@H]1CCOC1 1875377256 WOIZEOXVGFBSDS-GKUNOOHESA-N 256.346 0.272 0 50 CCAA O=C(N[C@H]1C[C@H]2C[C@@H](O)[C@@H]1C2)c1cc(O)cc(=O)o1 1875312415 BIOAISVTNOMLHS-QRYDPKPESA-N 265.265 0.235 0 50 CCAA CO[C@@H]1CN(Cc2ccccn2)C[C@H]1c1cn(C)nn1 886093982 MEHHOASREFNTDJ-GXTWGEPZSA-N 273.340 0.825 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cc[nH]c1 886096768 DWNVRTUNJDLKNV-ZDUSSCGKSA-N 251.330 0.742 0 50 CCAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cnn(C)n2)C1 888079336 XSRSQHJRSDJJSE-GHMZBOCLSA-N 262.317 0.500 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2csc(C3CC3)n2)CCO1 178231974 XBGPVISZUWIEDT-VIFPVBQESA-N 282.321 0.946 0 50 CCAA O=C(O)c1c[nH]nc1S(=O)(=O)NC[C@H]1CCCC12CC2 629346657 QUSNFBACVMQSND-MRVPVSSYSA-N 299.352 0.967 0 50 CCAA CN1CCN(C)[C@@H](CNC2CSCCSC2)C1 584896090 YWAWQECUJUTWHJ-LBPRGKRZSA-N 275.487 0.670 0 50 CCAA COc1cccnc1NCC1(S(N)(=O)=O)CCC1 721543438 PTRYFSGMZQJPGI-UHFFFAOYSA-N 271.342 0.713 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@@H]1CC(c2ccccn2)=NO1 2325762893 UTBNORNFRKTCEA-SKDRFNHKSA-N 277.280 0.411 0 50 CCAA Cc1ccc([C@@H](C)N=c2ncnc(N3CCNCC3)[nH]2)nc1 2325793486 WOZNWBGYFDBDFA-GFCCVEGCSA-N 299.382 0.580 0 50 CCAA CN(Cc1nc(O)n[nH]1)c1ccc2ncnc(O)c2n1 2325864875 CDBHUHVVHKFNCA-UHFFFAOYSA-N 273.256 0.191 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(C1)NCCCNC2=O 2325712065 BMKICCVSXWDFGF-CYBMUJFWSA-N 269.345 0.476 0 50 CCAA CC1=C(C(=O)N(C)C)CC(C(=O)N(C)C)=C(C)N1 408443 NFLKTDOFJDRAII-UHFFFAOYSA-N 251.330 0.704 0 50 CCAA CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NC)c1 1314830 IDCHCGKZEOMFAC-UHFFFAOYSA-N 297.340 0.277 0 50 CCAA O=C(C1CC1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 2356146011 NOVIKAVHUZOUMV-KCYZZUKISA-N 287.359 0.992 0 50 CCAA C[C@@H](O)C1CCN(c2ncc3ncn(C)c3n2)CC1 2356167543 RSTIDDLDUMKYKK-SECBINFHSA-N 261.329 0.961 0 50 CCAA Cc1nc(N2C[C@H]3COC[C@@]3(CO)C2)c2cnn(C)c2n1 2356169607 DVRWODNGJCDXIS-HZMBPMFUSA-N 289.339 0.117 0 50 CCAA COCc1nc(CN2C[C@H](COC)OC(C)(C)C2)no1 343350853 USBMGZAMNRZXJG-SNVBAGLBSA-N 285.344 0.842 0 50 CCAA N#Cc1cc(Br)cnc1NCC(N)=O 117296429 BTEMLUSNFJLQNO-UHFFFAOYSA-N 255.075 0.613 0 50 CCAA COc1cc(N(C)CCN2CCCCC2=O)ncn1 65370423 CNLLBSIVPYEOOL-UHFFFAOYSA-N 264.329 0.934 0 50 CCAA c1cc([C@H]2CCCCN2c2ccc3nnnn3n2)n[nH]1 329755237 LKCHYVVGKQPINO-SNVBAGLBSA-N 270.300 0.974 0 50 CCAA Cc1nc(CCNC[C@@]2(O)CCNC2)nc2c1CCCC2 72411804 XAPOARKVIOIWFZ-INIZCTEOSA-N 290.411 0.520 0 50 CCAA CCC1(CC)N=C(O)N(CC(=O)Nc2nncn2C)C1=O 331169078 HNPDMUVLNWKZQU-UHFFFAOYSA-N 294.315 0.069 0 50 CCAA NC(=O)[C@]1(O)CCN(C(=O)C/C=C/c2ccc(F)cc2)C1 368467446 WCLJPIXSGJGHKA-YLSAJCSVSA-N 292.310 0.678 0 50 CCAA COCCN1CN(C(=O)N[C@@H](C)[C@H]2CCCOC2)CC1=O 332744336 XZMKLXFWLKVXEH-RYUDHWBXSA-N 299.371 0.259 0 50 CCAA C[C@](O)(CNC(=O)CCC1CCOCC1)C(=O)O 262336855 BYHLFAXXANQKMQ-LBPRGKRZSA-N 259.302 0.145 0 50 CCAA Cn1ccnc1CC1CCN(CCN2CCNC2=O)CC1 377309352 JJBFPPRWJHJFOR-UHFFFAOYSA-N 291.399 0.700 0 50 CCAA C[C@@H](NC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)O 262854038 VRJIBELYFAYEAP-SECBINFHSA-N 294.307 0.357 0 50 CCAA Cc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 226628329 GECUPEFDFNABPH-DVZHBHJUSA-N 285.299 0.800 0 50 CCAA O=C(O)[C@H]1CN(C(=O)COCc2ccccc2)CCO1 43700997 KZSOGTGILWTQIY-GFCCVEGCSA-N 279.292 0.515 0 50 CCAA Cc1nc(O)ccc1C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 284754157 ODQVKPFSQJHTIQ-OLZOCXBDSA-N 291.351 0.641 0 50 CCAA Cn1c(NC(=O)[C@H]2CCC(=O)N2)nc2cc(F)ccc21 174597834 CKSNVWMYJRVQEQ-MRVPVSSYSA-N 276.271 0.930 0 50 CCAA O=C(O)CNC(=O)COCc1nc2ccc(F)cc2[nH]1 426555486 JINLVXDVXUVBTF-UHFFFAOYSA-N 281.243 0.419 0 50 CCAA COCCn1ccc(C(=O)N[C@@H]2CCn3ccnc3C2)n1 525891704 BUNCVVVOAFCVLP-LLVKDONJSA-N 289.339 0.471 0 50 CCAA Cc1cnccc1CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 426490449 IAFFNMHFAWGNFB-GFCCVEGCSA-N 282.365 0.783 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)CCc1nncn1C 426693940 ZKAKVYZFLSDZHQ-SNVBAGLBSA-N 291.359 0.627 0 50 CCAA CCN(C(=O)C(=O)CCc1ccccc1)[C@H]1COC[C@@H]1O 223267031 QZKLGAGJIXTNFN-ZFWWWQNUSA-N 291.347 0.797 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1C 426494502 PJODZHFFMRAGSC-NSHDSACASA-N 280.324 0.923 0 50 CCAA CC(C)(C)OC(=O)NC1CN(S(C)(=O)=O)C1 144782021 WEXONUHZOXRNBW-UHFFFAOYSA-N 250.320 0.155 0 50 CCAA COc1cccnc1N(C)C(=O)[C@@H]1COCCO1 179210262 GQEIVBFYOWHJCW-JTQLQIEISA-N 252.270 0.468 0 50 CCAA CNC(=O)[C@H]1CCN(S(=O)(=O)Cc2ccc(C)cc2)C1 334976753 FLNQZWQAUKOPCO-ZDUSSCGKSA-N 296.392 0.893 0 50 CCAA CCn1nc(C)c(CN2CCN([C@H]3CCNC3)CC2)c1C 97655472 QKWTYCHGQJYTML-HNNXBMFYSA-N 291.443 0.999 0 50 CCAA O=C(N[C@@H]1CCNC1)c1coc(CN2CCOCC2)c1 97468230 YXPYJNQWXUYMOY-GFCCVEGCSA-N 279.340 0.204 0 50 CCAA C[C@H](O)[C@@H]1CN(C(=O)c2nc[nH]c3nccc2-3)CCO1 616322265 DMXVMPKQEJNAEG-WPRPVWTQSA-N 276.296 0.131 0 50 CCAA C[C@H](C(=O)N(C)Cc1cc[nH]n1)N1CCN(C)CC1 330732877 SDSJJUYRASTVGX-LLVKDONJSA-N 265.361 0.004 0 50 CCAA O=C(NCC[C@]1(O)CCCOC1)c1ncccc1F 616563500 TXEICTGRVQXHRB-CYBMUJFWSA-N 268.288 0.882 0 50 CCAA CC1(C)CN(CCCn2cnnn2)CC[C@]1(C)O 91665856 CTHMHDVSFHABRQ-LBPRGKRZSA-N 253.350 0.546 0 50 CCAA COCCN1C[C@@H](Nc2nc(N)ncc2C)CC1=O 92098592 KXYYIIHJQZFVJP-VIFPVBQESA-N 265.317 0.026 0 50 CCAA C[C@H](Cc1cnccn1)N(C)CCN1CCCC1=O 244594237 DJALCXLUSCLDFL-GFCCVEGCSA-N 262.357 0.962 0 50 CCAA COCCn1cnnc1CNC(=O)Cc1ccsc1 244773874 PIFGJDMVEAWKTO-UHFFFAOYSA-N 280.353 0.845 0 50 CCAA O=C1[C@@H]2[C@@H]3[C@H]4[C@@H]5[C@@H]([C@@H]2[C@]35C(=O)O)[C@]14Br 257358099 RPWPSPXUMDXFEM-QLCUHAMKSA-N 255.067 0.525 0 50 CCAA C[C@H]1CN(C(=O)NCc2ccccc2F)CC(=O)N1 296378918 PORFSVGMNRPREN-VIFPVBQESA-N 265.288 0.856 0 50 CCAA CN1CCN([C@H]2COC[C@@H]2NC(=O)c2ccoc2)CC1 534650585 GEYDNSGQROOOBO-STQMWFEESA-N 279.340 0.024 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2)CN1 299788345 UOMOMYCPAZNKLE-MNOVXSKESA-N 282.727 0.973 0 50 CCAA Cc1cc(N)n(CC(=O)NCc2cn3ccccc3n2)n1 827864402 LMGMYVHQGPYELU-UHFFFAOYSA-N 284.323 0.738 0 50 CCAA C[C@H](CO)NCc1nncn1CCc1ccccc1 828671291 YJSWLKYNMRYPAD-GFCCVEGCSA-N 260.341 0.991 0 50 CCAA CC(C)(CC(=O)O)CC(=O)N1CC[C@@H]2OCCO[C@H]2C1 1875275376 FIIJBKGRDVEGDT-QWRGUYRKSA-N 285.340 0.894 0 50 CCAA CC(C)(C)OC(=O)N1CC(N2C[C@@H](N)CC2=O)C1 685944052 BJKBPCPSSNEWFW-QMMMGPOBSA-N 255.318 0.165 0 50 CCAA Cc1cnccc1CC(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 685941997 KLXBFJWCLGQWSF-ZIAGYGMSSA-N 290.363 0.979 0 50 CCAA CN(C)C[C@]1(O)CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 1548748920 ZOKZLZLKQOXLFZ-IAQYHMDHSA-N 292.383 0.355 0 50 CCAA Cc1cncc(CCNC(=O)N2C[C@H](N)C3(CCC3)C2)n1 1553506320 HZHPKSPRCRIBCP-ZDUSSCGKSA-N 289.383 0.850 0 50 CCAA CSc1ccc(CNC(=O)N[C@H]2CCNC[C@@H]2O)cc1 1565531358 NRFIATFSJNBENH-STQMWFEESA-N 295.408 0.931 0 50 CCAA CC1(O)CN(C(=O)[C@H]2CCCN2c2nccs2)C1 407986747 NKXKZOUXAVVYMO-SECBINFHSA-N 267.354 0.705 0 50 CCAA Cc1cc(N2CCC[C@H]2CS(N)(=O)=O)ncn1 408155720 SVKYRDRTDLIOLH-VIFPVBQESA-N 256.331 0.042 0 50 CCAA Cc1ncc(/C=C/C(=O)N2CCO[C@@H](C(=O)O)C2)s1 408513440 GUNNBKOYKILCKQ-VMZHVLLKSA-N 282.321 0.777 0 50 CCAA CC(C)=CC(=O)NCCN(CCO)C(=O)C=C(C)C 585083425 FWJNEEPAUDEEFH-UHFFFAOYSA-N 268.357 0.856 0 50 CCAA Cc1nccnc1C(=O)N[C@H](C)c1nnc2n1CCC2 667026730 SQXDFPZETDKUOL-SECBINFHSA-N 272.312 0.814 0 50 CCAA COCCN1CCC[C@H](NC(=O)c2cnc(C)nc2N)C1 668372518 KITNAVQWRSDFAB-NSHDSACASA-N 293.371 0.208 0 50 CCAA Cc1noc(C)c1CC(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1616093364 ARQRYBAHUSNNMN-JQWIXIFHSA-N 277.324 0.770 0 50 CCAA Cc1ccccc1S(=O)(=O)N1C[C@H]2C[C@H](O)[C@H]2C1 1857685989 CYEHBAOGKBUMIC-WOPDTQHZSA-N 267.350 0.996 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H](C)C1CCOCC1 860102946 JAVLIVIBQTYWNG-JTQLQIEISA-N 254.330 0.562 0 50 CCAA C[C@@H]1SCCn2c(CN3CCN(C)CC3)nnc21 1775981773 PDDUXIFIAMQYNE-JTQLQIEISA-N 267.402 0.833 0 50 CCAA O=C(O)[C@H]1COCCN(C(=O)CCCn2cccn2)C1 1775980195 WLIBCDWYCVUNFM-LLVKDONJSA-N 281.312 0.223 0 50 CCAA CC(C)(O)CN1CCN(c2ncnc(N)c2Cl)CC1 232578568 MKFPSGMHSXMCHB-UHFFFAOYSA-N 285.779 0.605 0 50 CCAA O=C(c1cn2ccsc2n1)N1CCN2C(=O)OC[C@@H]2C1 1857705429 HHXPEBYWRLYWHH-QMMMGPOBSA-N 292.320 0.672 0 50 CCAA O=C(c1cn2ccccc2n1)N1CCC(OCCO)CC1 135401961 XGZIELDTKUAJMS-UHFFFAOYSA-N 289.335 0.948 0 50 CCAA COc1cncc(N2CCN(C[C@H]3CNC(=O)C3)CC2)c1 824842846 OGQOXRYQHPEFRM-GFCCVEGCSA-N 290.367 0.348 0 50 CCAA O=C(NS(=O)(=O)c1cc[nH]n1)[C@@H]1C[C@@H]2C[C@@H]2C1 850975675 RXVPMDMECYICAY-JIGDXULJSA-N 255.299 0.261 0 50 CCAA CC[C@@H]1C[C@H](C(=O)N2CCCc3n[nH]cc3C2)CC(=O)N1 952892699 PLFBAOWPUAGKEA-CMPLNLGQSA-N 290.367 0.989 0 50 CCAA N[C@H]1CCCCCN(C(=O)C(=O)N2CC3CC2C3)C1 1875285954 ICXUECJYXQMLFQ-CXQJBGSLSA-N 265.357 0.337 0 50 CCAA C[C@@H]1C[C@]2(C(=O)NCCCc3nc(O)n[nH]3)C[C@H]12 1875310701 YZZFAKRBUGNZFS-RWYTXXIDSA-N 250.302 0.605 0 50 CCAA O=C(N[C@H]1CCCNC1)[C@H]1Cc2ccc(O)cc2CN1 1875337806 GKEXCZDRJNKISX-GXTWGEPZSA-N 275.352 0.275 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCCC[C@@H](C)O)CC1 1875365607 FXACWVIUWGRCSO-LLVKDONJSA-N 268.357 0.688 0 50 CCAA CC(C)(C)c1noc(=O)n1CC(=O)NCC(F)(F)F 1875391338 MXYRKSOOBNHFIS-UHFFFAOYSA-N 281.234 0.812 0 50 CCAA Cc1nc(CN2C[C@H](n3ccnn3)[C@H](N(C)C)C2)c(C)o1 888101374 OKMKDPJZSSPXNJ-KGLIPLIRSA-N 290.371 0.870 0 50 CCAA C[C@@H](NC(=O)N1CC(=O)N(CC2CC2)C1)c1ccn(C)n1 889230243 SSONRBLQCOTGJT-SNVBAGLBSA-N 291.355 0.702 0 50 CCAA O=S1(=O)CCN(C[C@H]2Cc3ccccc3O2)CC1 32573306 ATOOEANNTLIDJX-GFCCVEGCSA-N 267.350 0.721 0 50 CCAA O=C(Cc1cccc(F)c1)N[C@@]1(CO)CCOC1 182889826 IJTROEGUYOCSNA-CYBMUJFWSA-N 253.273 0.636 0 50 CCAA Cc1n[nH]c(C)c1CN1CCOC[C@H]1CC(=O)O 97655401 UISCQKBBGKMPLP-SNVBAGLBSA-N 253.302 0.702 0 50 CCAA O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccccc1Cl 625597194 MXBYKWUDYUMRIC-UWVGGRQHSA-N 291.756 0.768 0 50 CCAA O=C(NCc1ccc(O)nc1)[C@H]1CC(F)(F)CN1 369461347 BEORBHZQVFNBFK-MRVPVSSYSA-N 257.240 0.401 0 50 CCAA Cc1nnc(CN(C)C[C@H]2CC(=O)N(C)C2)s1 823717516 GPKZRNAANVXFJE-SECBINFHSA-N 254.359 0.757 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N1C[C@@H]2C[C@H](O)[C@H]2C1 2325757105 UGIJFAFVTCIGIO-CIUDSAMLSA-N 280.353 0.682 0 50 CCAA O=C(CSC1CC1)N1Cc2n[nH]cc2[C@@H]1CO 2325796917 AHYIOSPYVLRMME-JTQLQIEISA-N 253.327 0.681 0 50 CCAA O=C(NCc1ccccc1)[C@]12CC[C@H](C1)[C@H](O)[C@@H]2O 2325805185 WUBOMXYIZBBWHQ-UKTARXLSSA-N 261.321 0.825 0 50 CCAA O=C([C@@H]1CCC2(CCOCC2)NC1)N1CCN[C@@H]2C[C@@H]21 2325827584 KOMLKZGBSCAFMQ-UPJWGTAASA-N 279.384 0.108 0 50 CCAA CCCN1CCC[C@@]2(CCCN2C(=O)CO)C1=O 2356145277 JEROEKPWBGEYII-CYBMUJFWSA-N 254.330 0.372 0 50 CCAA CCC[C@]1(C(=O)O)CCN(C(=O)Cc2cc[nH]n2)C[C@H]1O 2356169544 TYVYANXTKYIIOA-RISCZKNCSA-N 295.339 0.417 0 50 CCAA CN(C)CCn1ccc(NC(=O)COC[C@@H]2CCOC2)n1 117636715 PYZXCESGRVYZSR-GFCCVEGCSA-N 296.371 0.436 0 50 CCAA CCn1ccc(CC(=O)N2CC[C@@H](c3n[nH]cc3N)C2)n1 864383636 BGOUGMBYDRBCNA-SNVBAGLBSA-N 288.355 0.767 0 50 CCAA COc1ccc(C)cc1NC(=O)CN(C)S(C)(=O)=O 22606556 SOLNEVIYUHMWTR-UHFFFAOYSA-N 286.353 0.834 0 50 CCAA O=C(C1[C@@H]2CCC[C@@H]12)N1CCC[C@@H](N2CCNCC2=O)C1 249142350 RHNHCEXFJPPGHG-JHJVBQTASA-N 291.395 0.455 0 50 CCAA Cn1cncc1C(=O)NCc1cccc(-n2cncn2)c1 348463522 IGSBGMQTKRHPEG-UHFFFAOYSA-N 282.307 0.931 0 50 CCAA CCCCOC(=O)N1CCN2CCN(C)C[C@@H]2C1 65408012 QVWNSYMPCFFNLV-GFCCVEGCSA-N 255.362 0.855 0 50 CCAA CCCc1nnc(C(=O)N2CCC3(CC2)CNC(=O)O3)o1 71745837 IMDFYTJNNYXRSQ-UHFFFAOYSA-N 294.311 0.737 0 50 CCAA CCC(=O)N1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 333342041 YHZCRPBLSWSFST-SNVBAGLBSA-N 276.340 0.553 0 50 CCAA O=C(C[C@@H]1CNCCO1)N1CCNC[C@H]1c1ccccc1 333617795 RHAYNBGRCRJDML-CABCVRRESA-N 289.379 0.538 0 50 CCAA Cc1nc(C(C)C)ncc1C(=O)N1CC[C@H](CO)[C@H](O)C1 72156233 KPRXTIBHBMSANA-DGCLKSJQSA-N 293.367 0.724 0 50 CCAA CC(C)c1nccc(CN2CCOC[C@@H]2CO)n1 216290174 RHSVZIUOSJZJKM-LBPRGKRZSA-N 251.330 0.793 0 50 CCAA Cc1cc(NC[C@@H]2CN(C)CCN2C)n2nccc2n1 72412165 XVDQNHVBCARIRY-GFCCVEGCSA-N 274.372 0.695 0 50 CCAA CO[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[C@H]1N 71730389 ZVROZNUODANORI-OLZOCXBDSA-N 280.372 0.534 0 50 CCAA CCCc1nnc2sc(CCn3nnnc3C)nn12 71615171 JQGKEZNGOHOZQB-UHFFFAOYSA-N 278.345 0.676 0 50 CCAA CC(C)(C)n1cc(C(=O)NC[C@](C)(O)C(=O)O)cn1 262506581 LIZPVZRUOINYMG-LBPRGKRZSA-N 269.301 0.204 0 50 CCAA Cc1nnnn1[C@H](C(=O)NCc1ccno1)c1ccccc1 426410464 IFOIMNJPNCBFGI-ZDUSSCGKSA-N 298.306 0.875 0 50 CCAA COCCn1cnnc1CCNC(=O)Cc1cc(C)no1 220294077 XRGDXLFVPAEOES-UHFFFAOYSA-N 293.327 0.122 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)CCc3cncnc3)[C@@H]2C1 292568395 XSYVPHCYJJTTIZ-ZIAGYGMSSA-N 290.367 0.341 0 50 CCAA COc1cc(C(=O)N2C[C@@H](C)[C@@](C)(O)C2)ccn1 91997650 JJBYXCMCFVHQHZ-RNCFNFMXSA-N 250.298 0.933 0 50 CCAA Cc1[nH]ccc1C(=O)N[C@H]1CN(CCO)C[C@@H]1C1CC1 91943772 OMUCUXFBHCAQIL-KGLIPLIRSA-N 277.368 0.756 0 50 CCAA Cc1cnc(C)c(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 298203270 MXAJNUNXUOWANI-CYBMUJFWSA-N 290.367 0.921 0 50 CCAA Cn1nc(CN2CCCCS2(=O)=O)cc1Cl 863475565 SXOTYZPJOHBYPX-UHFFFAOYSA-N 263.750 0.999 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)Cc1cc(C)no1 534631144 OHXGUSDERUJVOD-QWRGUYRKSA-N 254.286 0.446 0 50 CCAA CN(C)C(=O)c1ccc(CNC(=O)c2csc(N)n2)o1 534582875 ZELZAIVLYMVWEX-UHFFFAOYSA-N 294.336 0.950 0 50 CCAA CCN1C[C@H](NC(=O)c2cc3ncccn3n2)[C@@H](OC)C1 534658167 CXROHPCRRCUZEL-RYUDHWBXSA-N 289.339 0.178 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NCCc2nc(N)n[nH]2)n1 534585949 YHIRDMMCRFTGEE-SECBINFHSA-N 263.349 0.421 0 50 CCAA COCCN1CCC[C@@H](CNC(=O)c2cnc[nH]2)C1 299798977 PSABQBXFRVNRAX-NSHDSACASA-N 266.345 0.498 0 50 CCAA COCCCn1cnnc1CNC(=O)c1ccc(C)n1C 824396293 DIJOCZZLTXCPPO-UHFFFAOYSA-N 291.355 0.892 0 50 CCAA Cc1cc(C)nc(SCC(=O)N[C@H]2COC[C@@H]2O)n1 584892898 VIWNPFIWMXLGLX-UWVGGRQHSA-N 283.353 0.061 0 50 CCAA O=C(NCCN1CCCC[C@@H]1CO)c1cc[nH]c1 670450316 UPSIGCFGZGHTPZ-GFCCVEGCSA-N 251.330 0.591 0 50 CCAA CN(C)C(=O)[C@@H]1CN(C(=O)c2cncc(Cl)c2)CCO1 670450773 MKNWOTQNMYCDKM-NSHDSACASA-N 297.742 0.664 0 50 CCAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)CCN1CCCC1=O)C2 670454668 OJUAYJSIIXYGNA-KBPBESRZSA-N 293.411 0.942 0 50 CCAA C=CS(=O)(=O)CCC(=O)Nc1cnc2c(c1)CNC2=O 952881892 SMLBKSHDTVSWMC-UHFFFAOYSA-N 295.320 0.212 0 50 CCAA N[C@H]1CN(S(=O)(=O)c2cc3ccccc3s2)C[C@@H]1O 1565525634 OHVQNBDIFHLJSW-UWVGGRQHSA-N 298.389 0.594 0 50 CCAA Cn1ncnc1C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 1875282205 RFTQAOOOFHHWAE-NSHDSACASA-N 299.334 0.630 0 50 CCAA Cc1nc(CN(C)C(=O)[C@@H](C)c2ccnn2C)n[nH]1 1875274484 BVLOUYQAXBQDRR-QMMMGPOBSA-N 262.317 0.609 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)NCc1cc(C(F)(F)F)co1 1875400782 MDTUTTOBGYXPIC-GMSGAONNSA-N 292.257 0.885 0 50 CCAA C[C@@H]1CCN[C@H](C)[C@H]1NC(=O)/C=C/c1cncn1C 888096664 NYKOPPSRTWSQBF-AMTWIHMVSA-N 262.357 0.936 0 50 CCAA Cc1cc(CC(=O)N2CCC(=O)N3CCC[C@H]32)on1 888165735 KRWDMICZDSPSMS-LLVKDONJSA-N 263.297 0.706 0 50 CCAA CC(C)NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 16647799 YKXVHFGWTUJEGT-GHMZBOCLSA-N 264.325 0.852 0 50 CCAA Cc1ccc(Cn2cc(CNS(=O)(=O)C3CC3)nn2)o1 899704716 RPZPIRANUHQTRU-UHFFFAOYSA-N 296.352 0.810 0 50 CCAA CC[C@@H]1CN(C(=O)Cc2ccncc2)CCN1C[C@H](C)O 272410991 OPLBWFJPBFFBEP-DZGCQCFKSA-N 291.395 0.928 0 50 CCAA Cc1ccc(F)c(C(=O)NC[C@H]2CC(C(N)=O)=NO2)c1 170605997 JAMJKPBDOZOZAZ-MRVPVSSYSA-N 279.271 0.494 0 50 CCAA CCOC(=O)[C@H]1[C@H](N)CCN1C(=O)OC(C)(C)C 170689178 OPTQHFDIQOZOIL-RKDXNWHRSA-N 258.318 0.886 0 50 CCAA Cc1nc(COC(=O)[C@H]2CC[C@H](C(N)=O)O2)c(C)s1 170609500 DFJSWBCAPRVGNW-NXEZZACHSA-N 284.337 0.836 0 50 CCAA C[C@@H]1C(=O)NCCCN1Cc1nnc(C2CCC2)n1C 189343728 NFLJTZJWTDDHHI-SNVBAGLBSA-N 277.372 0.793 0 50 CCAA CN(CCn1cnnc1)C[C@@H]1CC(=O)N(C(C)(C)C)C1 1506413807 VYILCFOCALESHO-LBPRGKRZSA-N 279.388 0.857 0 50 CCAA CCCN1C[C@@H](Nc2nc(OC)cc(OC)n2)CC1=O 1506414087 NPIHNXDXTQLENR-VIFPVBQESA-N 280.328 0.917 0 50 CCAA COCCn1cncc1CNC(=O)c1nc(Cl)n(C)n1 1857682460 KWQPNVTZZUWQRL-UHFFFAOYSA-N 298.734 0.241 0 50 CCAA O=C(O)c1cc2n(n1)CCN(CCN1CCCCC1)C2=O 1875247830 QDBDJOBELURFDP-UHFFFAOYSA-N 292.339 0.523 0 50 CCAA Cc1cc(C(N)=O)c(NCC(=O)N2CCCC2)nc1C 1704300952 CHUJVUSHDWSDTQ-UHFFFAOYSA-N 276.340 0.832 0 50 CCAA CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C)C1 408081142 DEWPRYNTYAVEHA-DRZSPHRISA-N 268.357 0.786 0 50 CCAA CC[C@@H]1CC[C@@H](C(=O)N[C@H]2CCN(C(N)=O)C2)O1 408244164 AIBAUJGCOSGTQP-AEJSXWLSSA-N 255.318 0.213 0 50 CCAA COC[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)CC1 331634624 LXXQCIUBIDUPLU-LLVKDONJSA-N 287.385 0.857 0 50 CCAA O=C(NCCCN1CCOCC1)[C@@H]1[C@H]2CCC[C@H]21 246960521 POMPCQLBEDUNRA-ITGUQSILSA-N 252.358 0.871 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)Cc2ccsc2)C[C@@H]1O 1616069938 SWXOHJNZHOYKQT-ZJUUUORDSA-N 269.322 0.585 0 50 CCAA NC(=O)c1ccc(NC(=O)N2CCOCC2)cn1 159108660 LNQIEZUMVIAKOW-UHFFFAOYSA-N 250.258 0.045 0 50 CCAA Cc1csc(CN2C[C@H]3CNC[C@@]3(CO)C2)n1 1772705874 CAIAKWDJXHCIDO-PWSUYJOCSA-N 253.371 0.465 0 50 CCAA O=C1N(CC2CC2)CCC[C@@]1(O)CN1CCCOCC1 12048898 VUAVNJLELIJERT-OAHLLOKOSA-N 282.384 0.472 0 50 CCAA CC1CCC(NC(=O)[C@H](C)N2C[C@H](O)[C@H](O)C2)CC1 408442494 LOAPEUQGLNUJBR-NPBHJFFNSA-N 270.373 0.107 0 50 CCAA COC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 5005298 BHEWJAXNLVWPSC-WEDXCCLWSA-N 258.343 0.885 0 50 CCAA in-vitro Cn1nc(C(=O)N2CC3CC2(C(N)=O)C3)c2ccccc21 529526012 GUZVOGNCZHYCPK-UHFFFAOYSA-N 284.319 0.663 0 50 CCAA COC[C@H](O)CN1CCN(c2ccc(C)cc2)C(=O)C1 253417500 WVNOSZGVWRSFIJ-CQSZACIVSA-N 278.352 0.651 0 50 CCAA NCCNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O 158677002 RPUBPRRPGZTHJD-CQSZACIVSA-N 275.352 0.815 0 50 CCAA C[C@@H](C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)N(C)C 584907697 IZKRPWGZVVBMJG-AAEUAGOBSA-N 281.400 0.701 0 50 CCAA C[C@@]1(C(=O)N=c2cc[nH]c3cccnc23)CCNC(=O)C1 905826340 FGRWQZCFBZPLHF-OAHLLOKOSA-N 284.319 0.907 0 50 CCAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(N)=O 4502515 PNOMMPMPIFTUMS-JTQLQIEISA-N 298.364 0.551 0 50 CCAA CN1CCO[C@H](CNC(=O)c2ncccc2F)C1 667605329 DWRDYIIGUGKMCW-SECBINFHSA-N 253.277 0.281 0 50 CCAA CC1(C)CC[C@@H](CO)N(C[C@@H](O)Cn2cccn2)C1 621377853 HXYCLJIDBUCMBV-QWHCGFSZSA-N 267.373 0.727 0 50 CCAA COC(=O)c1cn(C[C@@H](O)c2ccccc2F)nn1 685943663 JRDXWESTBUQUGH-LLVKDONJSA-N 265.244 0.937 0 50 CCAA Cc1ncc2n1CCN(C(=O)Cn1nnc3ccccc31)C2 2325766813 CRCLXHXOIDKWLK-UHFFFAOYSA-N 296.334 0.979 0 50 CCAA COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 131979553 VOHNDIOFIOFVDG-AXFHLTTASA-N 294.282 0.277 0 50 CCAA CC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O 186567 XKLALKAMESFYAZ-VIFPVBQESA-N 261.274 0.967 0 50 CCAA CNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 2146507 DOGVDUWNOWZNCN-UHFFFAOYSA-N 271.342 0.045 0 50 CCAA C[C@H](Cn1cncn1)NC(=O)c1ccc2ccn(C)c2n1 2356145484 ODIWNAHMMCHLDH-SNVBAGLBSA-N 284.323 0.983 0 50 CCAA CS(=O)(=O)N(CC(N)=O)c1cccc(-n2cccn2)c1 2356146917 ADFJHTKYWDVDCW-UHFFFAOYSA-N 294.336 0.124 0 50 CCAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cnn[nH]2)C1=O 2356152494 MAVCMOWBQAWVMS-CQSZACIVSA-N 291.355 0.812 0 50 CCAA CCOc1ccc(S(=O)(=O)NC)cc1NC(C)=O 4866771 DFXRMFAMGSSJLD-UHFFFAOYSA-N 272.326 0.952 0 50 CCAA Cn1ncc(Cl)c1C(=O)NCCCN1CCCC1=O 6698854 QXVKRZSRDHFJJH-UHFFFAOYSA-N 284.747 0.816 0 50 CCAA CC(=O)N[C@@H]1C2CN3CCN(C2)CC1(Cc1ccccc1)C3 22241873 PWVNCBNUNMABHD-LXPRWKDFSA-N 299.418 0.981 0 50 CCAA NC[C@@H](C(=O)Nc1cccnc1O)C1CCOCC1 864741215 JJJCTADCFRJWHV-SNVBAGLBSA-N 265.313 0.727 0 50 CCAA COC(=O)[C@H]1COCCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 135528528 LDOUHSZUDVXTHM-NNYUYHANSA-N 265.309 0.599 0 50 CCAA C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1ccccc1 22606422 DHLFZJGLWQCRPZ-JTQLQIEISA-N 270.354 0.755 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1c1ncncc1Br 284651998 VHPJSWGDBYEFNK-VDTYLAMSSA-N 289.108 0.641 0 50 CCAA COCC(=O)N1CCCN(Cc2cnc(C)[nH]2)CC1 216052103 WJJYVLWCFJFBAF-UHFFFAOYSA-N 266.345 0.399 0 50 CCAA COCCC(=O)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1 216422623 YFFUCRZHRALKJM-UHFFFAOYSA-N 275.312 0.721 0 50 CCAA CCN1C[C@@H](CN(C)C(=O)C(=O)c2cccnc2)CC1=O 219835799 WYCLGUZLCNTYMZ-LLVKDONJSA-N 289.335 0.591 0 50 CCAA CC(C)c1nccc(CN2CCOC[C@H](O)C2)n1 77454709 XMFINGVGDOGNJJ-GFCCVEGCSA-N 251.330 0.793 0 50 CCAA CCn1cnc2c(N3C[C@@H](F)C[C@H]3CO)ncnc21 363741859 FEFUGYAXNQUYDN-IUCAKERBSA-N 265.292 0.755 0 50 CCAA C[C@H](NCCN1C(=O)CNC1=O)c1ccccc1N(C)C 134094940 GTPQHPWQNOIFEZ-NSHDSACASA-N 290.367 0.955 0 50 CCAA O=C(O)CNC(=O)c1sccc1S(=O)(=O)C(F)F 262708193 OCTZEPSCKJULLY-UHFFFAOYSA-N 299.276 0.559 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)CCn3ccnc3)[C@@H]2C1 285993941 YPTMDUHOSJIDKJ-CHWSQXEVSA-N 278.356 0.205 0 50 CCAA CCc1nccn1CCCNC(=O)CN1CCOC1=O 223413092 XHZRWMDUXZUQGO-UHFFFAOYSA-N 280.328 0.404 0 50 CCAA COCCN1CCC[C@@H](C(=O)NCCc2ncc[nH]2)C1 426497529 YAIBAISWYRQAFS-GFCCVEGCSA-N 280.372 0.427 0 50 CCAA CN(C)[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]2CCO[C@H]21 220358785 CSMWGNJMCPASLZ-GJQVQUKXSA-N 290.367 0.734 0 50 CCAA Cc1cc(=O)cc(C(=O)N(C)[C@@H]2CCN(C)C2)n1C 426685491 ZPHOFPOKVXEUFN-LLVKDONJSA-N 263.341 0.470 0 50 CCAA Cc1cnc(CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)[nH]1 426492781 JCGJMTZPADCZAT-VIFPVBQESA-N 286.357 0.047 0 50 CCAA Cc1ccc(F)cc1CN1CCN(S(N)(=O)=O)CC1 179904274 HAKNXJGURXLVSG-UHFFFAOYSA-N 287.360 0.455 0 50 CCAA O=C(c1ccn2cnnc2c1)N1[C@H]2CC[C@@H]1CCNC2 97468381 LIYHEJMZPIUOCQ-NEPJUHHUSA-N 271.324 0.696 0 50 CCAA CNC(=O)c1cncc(/C=C/C(=O)N2CCN[C@@H](C)C2)c1 237209562 TXUYXNRUNUYMKM-UFFNRZRYSA-N 288.351 0.275 0 50 CCAA Cc1cn(CCNC(=O)COC[C@H]2CCCCO2)nn1 244795576 RJCDIOKDUCKHFX-GFCCVEGCSA-N 282.344 0.288 0 50 CCAA Cc1nc(C)c(C)c(N2C[C@H]3[C@@H](C2)OCCN3C)n1 299747412 CXQKMTRYBZDVHD-QWHCGFSZSA-N 262.357 0.921 0 50 CCAA CCOC(=O)N1CC[C@H](NCCc2ncc[nH]2)C1 534649168 FKIMHBTXGBCORI-JTQLQIEISA-N 252.318 0.773 0 50 CCAA O=C(CCN1CCCCCC1=O)NCCc1cnc[nH]1 827819941 JLTJVZXKTSTZOG-UHFFFAOYSA-N 278.356 0.861 0 50 CCAA O=S(=O)(N1CCCCCC1)N1C[C@H]2CC[C@@H](C1)NC2 828388778 FPXFSHHPSNCCAH-STQMWFEESA-N 287.429 0.791 0 50 CCAA Cn1c(C2CC2)nc2c1CCN(C(=O)c1n[nH]c(O)n1)C2 1875263797 QHKVTHCTWNJITP-UHFFFAOYSA-N 288.311 0.320 0 50 CCAA O=C(O)c1cc(CN[C@H]2CCO[C@@]3(CCOC3)C2)[nH]n1 1875345350 XYAMRJXLTTYCFZ-ZANVPECISA-N 281.312 0.536 0 50 CCAA O=C(CCCc1cn[nH]c1)N[C@H]1CCOC[C@@H]1OCCO 1565529072 UKPCCPJKIWFJFI-STQMWFEESA-N 297.355 0.015 0 50 CCAA CC1(C(=O)N2CCC[C@@H]2c2ccc(N)nn2)CNC1 886096364 CEUGXOSIYGQRBY-SNVBAGLBSA-N 261.329 0.332 0 50 CCAA O=C(CCCOc1ccccc1)NC[C@]1(O)CCNC1 244882511 XTGWNTRIXHVWBI-HNNXBMFYSA-N 278.352 0.686 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)Cc1ncccn1 1352607368 RUOUMMIZQQDUPD-UHFFFAOYSA-N 262.313 0.470 0 50 CCAA CCC(=O)N1CC2(CC[C@H](CNC(=O)C3CC3)O2)C1 965514250 FIJCFLBKTCGAHJ-LLVKDONJSA-N 266.341 0.683 0 50 CCAA COCC[C@H](C)CNC(=O)N(C[C@@H](C)O)[C@H](C)CO 1365647362 QCHIQVUGIGMALW-QJPTWQEYSA-N 276.377 0.432 0 50 CCAA O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCN1 82621231 VJVOKQUIFNGORJ-SNVBAGLBSA-N 260.297 0.224 0 50 CCAA CC(C)C[C@]1(C(=O)N2CC(OC(F)F)C2)CCNC1=O 632669994 YYRKVYQHZFRDKL-CYBMUJFWSA-N 290.310 0.989 0 50 CCAA CCS(=O)(=O)NC(=O)c1cccc2cn[nH]c12 169984630 KZDHPEIUEXFIRY-UHFFFAOYSA-N 253.283 0.642 0 50 CCAA NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 408064869 YGXSFIYYYQZDNK-LZQZFOIKSA-N 266.341 0.714 0 50 CCAA CN1CC[C@H]2CN(C(=O)[C@@H]3CCCCC(=O)N3)C[C@H]2C1 408522482 JUBVRNHDQKPJQF-XQQFMLRXSA-N 279.384 0.455 0 50 CCAA COC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCCCC(=O)N1 408524004 WXEKWBPPQGVXSR-DTWKUNHWSA-N 286.353 0.120 0 50 CCAA COC[C@@H]1CCN(C(=O)NCc2nc(N(C)C)n[nH]2)C1 637786366 WSDDWQKHFOSTCR-SECBINFHSA-N 282.348 0.049 0 50 CCAA CC(C)=CCNC(=O)CN1CCCC[C@H](O)C1=O 644448741 GLWWYSBUKVBPLB-NSHDSACASA-N 254.330 0.442 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)NC1(CCO)CCCC1 644477672 WNTUJJSOVUQBDX-GFCCVEGCSA-N 298.383 0.171 0 50 CCAA O=C(O)[C@H]1N(S(=O)(=O)c2ccoc2)CC12CCC2 663286089 AJCAXIGIGOCBOC-SECBINFHSA-N 271.294 0.907 0 50 CCAA NC(=O)N1CCCN(c2ccnc(C3CC3)n2)CC1 408148099 LEVTVZHRTLEXQE-UHFFFAOYSA-N 261.329 0.945 0 50 CCAA CCn1nccc1C(=O)Nc1ccn(CC(=O)O)n1 663145545 UGHXAGZUUHHKJP-UHFFFAOYSA-N 263.257 0.436 0 50 CCAA Cc1ncsc1CN1C[C@H]2[C@@H](C1)C2(CO)CO 1772807429 VZEPRPHTASYEGO-AOOOYVTPSA-N 254.355 0.484 0 50 CCAA Cc1nsnc1C(=O)N[C@H]1CCCOC12CCNCC2 1775982371 KZFNVQUWIAVOOC-JTQLQIEISA-N 296.396 0.878 0 50 CCAA O=C(c1cnc2ccccc2n1)N1C[C@H]2[C@H](C1)C2(CO)CO 1772816139 KHTLJCJLRZSKSF-QWRGUYRKSA-N 299.330 0.303 0 50 CCAA CCCNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 5251249 IOLHKYXJOBSMDU-UHFFFAOYSA-N 264.281 0.938 0 50 CCAA COCCN1C[C@@H](C(=O)NCCSC)CCC1=O 12314986 GHNOGBODMVLBGY-JTQLQIEISA-N 274.386 0.351 0 50 CCAA O=C(N1CC[C@H](Oc2ccccn2)C1)[C@]1(O)CCOC1 334129944 SRULXPDCHLAWFX-FZMZJTMJSA-N 278.308 0.213 0 50 CCAA CC1(C)NC(=O)CC[C@@H]1NC(=O)Cn1cc(C2CC2)cn1 614555774 IGTNLQQFCUQWCA-LBPRGKRZSA-N 290.367 0.934 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccn4)C(=O)[C@H]13)O2 239433447 XSEHIJHACSPQOL-YXMPFFBPSA-N 286.287 0.448 0 50 CCAA in-vitro O=C(O)[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 16764676 IGIBFPXNDOCTPT-LBPRGKRZSA-N 265.265 0.873 0 50 CCAA CC(C)n1cc(CN2CC[C@](O)(Cn3ccnn3)C2)cn1 671491287 AWRCNWRLQAFHOA-CQSZACIVSA-N 290.371 0.693 0 50 CCAA COc1ccc(CC(=O)N2CCO[C@H](CN(C)C)C2)nc1 363753874 SVFQEFVHEQSWAK-CQSZACIVSA-N 293.367 0.422 0 50 CCAA O=C(c1nnc2ccccc2n1)N1C[C@H](O)C2(CC2)C1 365686478 MWJVDEHLDUQCSM-NSHDSACASA-N 270.292 0.622 0 50 CCAA CCNc1ncc(CN2C[C@H]3COC[C@@H]2CN(C)C3)cn1 1704333702 FBPNIUHUJFGBHL-KBPBESRZSA-N 291.399 0.671 0 50 CCAA Cc1cncc(C(=O)N2CCC([C@H](O)CO)CC2)c1 1772710155 MJJKQNYGEGPXDG-CYBMUJFWSA-N 264.325 0.595 0 50 CCAA CNC(=O)[C@H](CC(C)C)NC(=O)c1cc[nH]c(=O)c1 230179364 HOICXTUEYWCSQV-JTQLQIEISA-N 265.313 0.265 0 50 CCAA NC(=O)[C@@]1(O)CCCN(CCOc2ccccc2F)C1 312648874 KOXNKPRSHINPPR-CQSZACIVSA-N 282.315 0.517 0 50 CCAA Cc1cccc(CN2CCC(NS(C)(=O)=O)CC2)n1 77422064 WBJAGSRXWSGUGV-UHFFFAOYSA-N 283.397 0.904 0 50 CCAA O=C(NC[C@]1(C(=O)O)CCCOC1)[C@@H]1CCOC1 630338636 ZMGZGDRTNXMPLV-BXKDBHETSA-N 257.286 0.021 0 50 CCAA CN1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)NCC1=O 911934523 DQEAJAMQTYWKFJ-SNVBAGLBSA-N 285.706 0.848 0 50 CCAA Cc1c(CN(C)C(N)=O)c(=O)n(-c2ccccc2)n1C 275180 JHFAVFZNRLZNLZ-UHFFFAOYSA-N 274.324 0.995 0 50 CCAA Cc1nn(CCC(=O)N2C[C@H]3C(=O)OC[C@H]3C2)c(C)c1C 2356136673 DSKCXNIPPUABDF-CHWSQXEVSA-N 291.351 0.830 0 50 CCAA Cc1cnn(-c2cc(N3C[C@H]4C(=O)OC[C@H]4C3)ncn2)c1 2356148602 IJDMUXSLMCWWSN-GHMZBOCLSA-N 285.307 0.580 0 50 CCAA Cn1cc(CCC(=O)NCCCn2ccccc2=O)cn1 58900773 UBKJCWKQVDVREM-UHFFFAOYSA-N 288.351 0.721 0 50 CCAA CN1CCN(C(=S)C(=O)NCc2ccccc2)CC1 20482380 VSDKHYZTXWPBEZ-UHFFFAOYSA-N 277.393 0.878 0 50 CCAA O=C(Cc1cnc2ncnn2c1)N1[C@H]2CC[C@@H]1CCNC2 65452442 LEDGGPFZYFSHSK-NEPJUHHUSA-N 286.339 0.020 0 50 CCAA Cc1[nH]c(=O)[nH]c(=O)c1-c1ccc2c(c1)OCCO2 32500735 XFNWVVNEJYNDKF-UHFFFAOYSA-N 260.249 0.810 0 50 CCAA NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 33359641 JCKFPGZTJSCYIU-UHFFFAOYSA-N 280.305 0.857 0 50 CCAA O=C(COCc1ccccc1)N[C@@H]1CCNC[C@H]1O 77298737 MQUIXQZVBUNPQK-CHWSQXEVSA-N 264.325 0.042 0 50 CCAA CCN[C@H](C)CNC(=O)N[C@H]1C[C@H]2CCCCN2C1=O 418283396 ROGDPSPZWQIUHX-UTUOFQBUSA-N 282.388 0.437 0 50 CCAA N[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 237957643 NTAIKFQGSBPXMI-IWSPIJDZSA-N 293.289 0.393 0 50 CCAA COCc1ncc(-c2nccn2CCS(C)(=O)=O)cn1 72436460 PTWWWRBEGKQMGP-UHFFFAOYSA-N 296.352 0.531 0 50 CCAA Cc1n[nH]c(SCC(=O)NCc2cccnc2N)n1 222790201 UKWVIKVFXSMAPD-UHFFFAOYSA-N 278.341 0.499 0 50 CCAA CNC(=O)N[C@H]1CCN(C(=O)NC[C@@H](C)CC(F)F)C1 1365411608 GSJDEABQUNGBOY-IUCAKERBSA-N 292.330 0.991 0 50 CCAA CC(=O)NC(C)(C)C(=O)N[C@@H](C)c1nncn1C(C)C 426445152 RKGVLKPJXLJCQY-VIFPVBQESA-N 281.360 0.951 0 50 CCAA O=C(Cn1ccnc1-c1ccccc1)N1CC(O)C1 95522771 OLMWMPGFWTZBNU-UHFFFAOYSA-N 257.293 0.753 0 50 CCAA COCCN(Cc1cnn(C)c1)C(=O)CN1CCCC1=O 95527374 DAWKYTDGEZIDHR-UHFFFAOYSA-N 294.355 0.018 0 50 CCAA C[C@@]1(C(=O)N2CCN(CCO)CC2)CCCC[C@@H]1N 695549959 KRAVFBJULJIQSD-GXTWGEPZSA-N 269.389 0.031 0 50 CCAA N[C@H]1CN(C(=O)C2(CO)CC2)C[C@@H]1c1ccccc1 91725672 SGXYYCSTWBBKIE-OLZOCXBDSA-N 260.337 0.712 0 50 CCAA O=C(O)c1[nH]ncc1CN1CCN(c2cccnc2)CC1 97773210 ABXOXNAHSIXENO-UHFFFAOYSA-N 287.323 0.825 0 50 CCAA Cc1cc(C)n(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 91914994 NBLCPGGZJHQGKO-GFCCVEGCSA-N 290.367 0.627 0 50 CCAA Cc1cccc([C@@]23NC(=O)[C@H]4[C@@H]2[C@H]2C[C@H]4[C@@H](O)[C@H]2O3)c1 244899968 ZTQGSZSIMVSPOG-IWVDPLHQSA-N 271.316 0.919 0 50 CCAA Cc1n[nH]c(C)c1CCN(C)CCCn1cnnn1 244866725 WBIYAIBCTOIACK-UHFFFAOYSA-N 263.349 0.578 0 50 CCAA O=C(O)[C@@H]1CC2(OCCO2)[C@H]2CC[C@H]3C[C@]21C(=O)O3 247376268 IJRZBQUJTVNAGY-PHGLEFOZSA-N 268.265 0.546 0 50 CCAA Cc1cn2c(=O)cc(CN(C)[C@H]3COC[C@@H]3O)nc2s1 252493151 NALHGZJNGPJRRT-QWRGUYRKSA-N 295.364 0.256 0 50 CCAA COCCN1C(=O)N[C@@H]2CN(c3nccc(C)n3)CC[C@@H]21 299745506 ZRSWAGSGLXVXKJ-NEPJUHHUSA-N 291.355 0.404 0 50 CCAA Nc1ncc(C(=O)NCC[C@H]2CCCCN2)s1 534640800 YLCXBLBDUXJSSY-MRVPVSSYSA-N 254.359 0.987 0 50 CCAA CN(C[C@@H]1CCCNC1)C(=O)c1cnc(N)s1 534671725 LRLMROQFEIUDDG-MRVPVSSYSA-N 254.359 0.797 0 50 CCAA O=C(CN1CCCC1)NCCCN1CCCC[C@@H]1CO 828711012 YBTMZGOGEMDZQG-CQSZACIVSA-N 283.416 0.435 0 50 CCAA CCn1nc(CO)c2c1CCN(C(=O)C[C@H]1CCOC1)C2 670456255 RDZMCVHZCBEZJX-LLVKDONJSA-N 293.367 0.707 0 50 CCAA O=C(N1CCC(N2CC[C@@H](O)C2)CC1)[C@@]1(F)CCOC1 1550905253 KQAXSXFJQKNHGJ-TZMCWYRMSA-N 286.347 0.173 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)N[C@@H]2CCCS(=O)(=O)C2)n1 408163891 IMEAKAOLVXZOMX-NWDGAFQWSA-N 299.396 0.754 0 50 CCAA O=C(NCCOc1ccc(Cl)cc1)[C@H]1C[C@@H](O)CN1 276644567 MZIKTBUPMNTFMP-ZYHUDNBSSA-N 284.743 0.558 0 50 CCAA NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)O)nc1 676370870 QTNLGOUBMSNYCS-VHSXEESVSA-N 291.307 0.554 0 50 CCAA COC[C@@H]1CN(C(=O)Cc2ccn(C)n2)CC(C)(C)O1 556687606 KHEPGIQNMWIBAD-LBPRGKRZSA-N 281.356 0.615 0 50 CCAA N=c1cc(CN[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc[nH]1 643960415 VNAMUINFJVGOBT-MCIONIFRSA-N 276.384 0.571 0 50 CCAA O=C(N[C@@H]1CCCc2c[nH]nc21)c1ccc2c(c1)COB2O 584963155 PVXHLZVFHDXEMU-CYBMUJFWSA-N 297.123 0.435 0 50 CCAA CC1(C)NC(=O)CC[C@@H]1NC(=O)c1cccc2nn[nH]c12 670148738 MMEUGCOXPVHNKJ-JTQLQIEISA-N 287.323 0.745 0 50 CCAA Cc1cccn2c(CC(=O)N3C[C@H](O)[C@@H](F)C3)cnc12 1616101618 BNHMDCFUQNAMTO-RYUDHWBXSA-N 277.299 0.726 0 50 CCAA CCN(CCN1CCOCC1)Cc1nc(C(=O)O)co1 1529159462 RBZCRMBMIYCFOW-UHFFFAOYSA-N 283.328 0.527 0 50 CCAA CCc1nc(CN2C[C@@H]3CCC[C@H](C2)C(=O)N3C)n[nH]1 1529197153 LDDDKNPCFWBQRD-MNOVXSKESA-N 277.372 0.810 0 50 CCAA N[C@H](CCCCNC(=O)c1cccnc1)C(=O)O 118386738 GPGQRQZBZHOSJY-SNVBAGLBSA-N 251.286 0.394 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1ncc(C)[nH]1 628320566 RPQRMTVDRLRNCG-CYBMUJFWSA-N 266.345 0.445 0 50 CCAA O=C(CCc1cnccn1)N1CCC([C@H](O)CO)CC1 1772817110 HZHIXFQTSJOXNX-CYBMUJFWSA-N 279.340 0.001 0 50 CCAA O=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccc(F)cc1 19720730 PJCDPIQOLBVTIJ-GFCCVEGCSA-N 278.283 0.790 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169619943 BDISLHPIKVZWDN-LURQLKTLSA-N 255.270 0.918 0 50 CCAA Cc1cc(C)nc(CN(C)C(=O)[C@H]2C[C@H](N)[C@@H](O)C2)c1 1857731993 WZBFOLDWTYCNGM-UBHSHLNASA-N 277.368 0.755 0 50 CCAA Cn1cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1 2555017 UCKFPCXOYMKRSO-VIFPVBQESA-N 269.301 0.941 0 50 CCAA in-vitro C[C@@H]1C[C@H]1c1nc(C(C)(C)NS(C)(=O)=O)no1 225607068 GQTUMHKZMQAOOP-RNFRBKRXSA-N 259.331 0.977 0 50 CCAA C[C@H]1CNCCN1C(=O)c1cccc2c1OCC(=O)N2 125751903 BPUCWXNXFDIQLP-VIFPVBQESA-N 275.308 0.451 0 50 CCAA COC(=O)CCCC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 249596387 PUZMCLTYEBZXGO-XSYNQRDESA-N 267.325 0.557 0 50 CCAA O=C(Cc1n[nH]c2ccccc12)N1CC[C@H](CO)[C@@H](O)C1 578954002 VTTSOFFUKUGMFP-YGRLFVJLSA-N 289.335 0.307 0 50 CCAA C[C@@H]1OCCO[C@@H]1C(=O)Nc1nc2cccnc2n1C 935426948 DOBDNLCEGXMWLD-WPRPVWTQSA-N 276.296 0.711 0 50 CCAA C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)NO[C@H]1CCOC1 1875259379 CWDFFTZVFMEFRN-MROQNXINSA-N 296.367 0.860 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1875375680 JRYFJCHSHZDJKP-PGLGOXFNSA-N 265.357 0.231 0 50 CCAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N(C)C)C2)c1C 1875301546 MJBJQUCHVDIFBK-GFCCVEGCSA-N 291.399 0.936 0 50 CCAA Cc1nnccc1C(=O)N[C@H]1CCO[C@@H]1c1cc[nH]n1 886095498 YGVKHXIVYLPVST-JQWIXIFHSA-N 273.296 0.768 0 50 CCAA O=C1CC[C@@H](NC(=O)c2cc(F)cnc2O)C2(CCC2)N1 888100799 VEYNLHXPMUIJCI-SNVBAGLBSA-N 293.298 0.857 0 50 CCAA COc1cc(O)ncc1C(=O)N[C@@]12CCC[C@H]1NCC2 1775600307 MXVMMWYTMOTGCQ-BXUZGUMPSA-N 277.324 0.810 0 50 CCAA COCc1nc(CSc2nnc(CCN)n2C)no1 426618089 HOSYTHSQECPOLR-UHFFFAOYSA-N 284.345 0.138 0 50 CCAA O=C(/C=C/c1ccccc1)Nc1c[nH]c(=O)[nH]c1=O 207735 SFPPTKUDSQMMLU-VOTSOKGWSA-N 257.249 0.715 0 50 CCAA O[C@H]1[C@@H]2C[C@H](CNc3ncc4cccnc4n3)[C@@H](C2)[C@H]1O 2325789887 UNFNWVVSLWPWMV-NJMOYASZSA-N 286.335 0.815 0 50 CCAA CC1(C)CNC(=O)[C@H]1NC(=O)c1cc(O)nc(C2CC2)c1 912642456 RSFZYOHFPCMSJN-GFCCVEGCSA-N 289.335 0.919 0 50 CCAA NS(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1 340333 WDSQBRKATCDHJY-UHFFFAOYSA-N 285.325 0.198 0 50 CCAA C[C@H]1C(=O)N(C2CC2)Cc2nnc(-c3cc[nH]n3)n21 2356153498 JNLTUAOWMCBDCX-ZETCQYMHSA-N 258.285 0.734 0 50 CCAA O=C(NS(=O)(=O)c1cccnc1)[C@@H]1C[C@H]2CC[C@H]1O2 225429228 AULCYEHBNYAJLS-FBIMIBRVSA-N 282.321 0.454 0 50 CCAA C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccn[nH]1 113085330 CEOWZVISFPVZEX-JGVFFNPUSA-N 259.331 0.303 0 50 CCAA O=C(N[C@H]1CCO[C@H](C2CC2)C1)[C@H]1C[C@H]1C(=O)O 249636136 WPIBMGVOGLDIHO-MMWGEVLESA-N 253.298 0.781 0 50 CCAA COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cnc(C)nc1 351755332 IFYGJNJXEBVXEW-OLZOCXBDSA-N 279.340 0.937 0 50 CCAA CC(C)c1nc(CCN(C)C(=O)c2c[nH]c(=O)cn2)no1 67447175 FIFQJYIBWVOJFA-UHFFFAOYSA-N 291.311 0.591 0 50 CCAA COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC1=O 38978250 MVZLAUYYGDJPEA-MRVPVSSYSA-N 257.286 0.986 0 50 CCAA in-vitro COc1c(F)cccc1C(=O)N1CCC[C@](O)(CO)C1 72151575 GADJSZPVUZJSST-CQSZACIVSA-N 283.299 0.794 0 50 CCAA CCC(=O)N1CC[C@H](C(=O)N2CC(OC(F)F)C2)C1 437596348 XDNKGDHSFYAFMU-QMMMGPOBSA-N 276.283 0.695 0 50 CCAA CC(C)N(CC(F)(F)F)C(=O)Cn1cnn(C)c1=O 330782408 GWUKDXRAGCIZEN-UHFFFAOYSA-N 280.250 0.381 0 50 CCAA O=C([C@H]1CCCO1)N1CCNC[C@@H]1c1cccnc1 261968676 NASZLWHOQPLMEV-CHWSQXEVSA-N 261.325 0.734 0 50 CCAA Cc1n[nH]cc1C1CCN(C(=O)Cn2cnnn2)CC1 375821500 BAWLMDZZAXEBCD-UHFFFAOYSA-N 275.316 0.111 0 50 CCAA COc1ccc2c(c1)C[C@@H](C(=O)N[C@H](C)C(=O)O)CO2 262720850 VJGKJHZWJCFWMG-PSASIEDQSA-N 279.292 0.836 0 50 CCAA CNC(=O)c1ccc(NC(=O)CCNC(C)=O)c(C)c1 46594050 PLSCOONZAOVORN-UHFFFAOYSA-N 277.324 0.819 0 50 CCAA Cc1cc(=NC(=O)CN2CCO[C@H](C3CCC3)C2)[nH]o1 334061937 YZDBZTWFPFIDKW-LBPRGKRZSA-N 279.340 0.844 0 50 CCAA CC(=O)N1CCC[C@@H](C(=O)N2CC(OC(F)F)C2)C1 334379218 HQUQNSNMXVNSCS-SECBINFHSA-N 276.283 0.695 0 50 CCAA NC(=O)NCC(=O)NCc1ccccc1-n1ccnc1 221161477 YAEXEMPHVLLHPU-UHFFFAOYSA-N 273.296 0.157 0 50 CCAA Cn1ccnc1SCCNC(=O)N1CCC[C@H]1C(N)=O 426488333 SZGJCGSXUZTMTJ-VIFPVBQESA-N 297.384 0.172 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccon2)C1 286511271 UXKVEOTYPCUXFQ-RYUDHWBXSA-N 279.340 1.000 0 50 CCAA COCCN1CN(C(=O)c2c(C)coc2C)CC1=O 289076167 PFMWQZLPEBUROU-UHFFFAOYSA-N 266.297 0.785 0 50 CCAA COCCc1nc(CCn2cc(C)cn2)n(CC(=O)O)n1 96147860 IHUXZZPPOTXLNU-UHFFFAOYSA-N 293.327 0.299 0 50 CCAA O=c1c2cccn2cnn1Cc1nnc(-c2cccnc2)o1 95370371 IZCQUOMLCJZRTI-UHFFFAOYSA-N 294.274 0.989 0 50 CCAA COC(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 97756936 VKIABJUARDZNRU-ASCAZGACSA-N 279.358 0.821 0 50 CCAA Cc1cc(C)c(C(=O)N[C@H](C(N)=O)c2ccccc2)c(=O)[nH]1 91494575 WOEXMYZPZRVBEM-ZDUSSCGKSA-N 299.330 0.948 0 50 CCAA O=c1[nH]ccn1CCN1CCCN2CCC[C@H]2C1 243893044 ANVBLUHMBBTSPD-LBPRGKRZSA-N 250.346 0.347 0 50 CCAA Cn1cccc(C(=O)NCC[C@@H]2CCCOC2)c1=O 529600309 KHLAOXFUEUWNNQ-NSHDSACASA-N 264.325 0.932 0 50 CCAA C[C@H]1[C@@H](NC(=O)Cc2ccsc2)CCS1(=O)=O 294624967 ISZAWTHDPSYBLS-WPRPVWTQSA-N 273.379 0.982 0 50 CCAA CC[C@@]1(C)NC(=O)N(NC(=O)COc2ccccc2)C1=O 298209162 KPPFUKWKSZPWCK-CQSZACIVSA-N 291.307 0.817 0 50 CCAA NC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H](N)C1 299753027 WNXVEPDCIPHBTA-WOPDTQHZSA-N 267.373 0.760 0 50 CCAA CN(C)C(=O)CNS(=O)(=O)CCOc1ccccc1 263914541 NQHITILVEOQNMS-UHFFFAOYSA-N 286.353 0.073 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1ccco1 534673031 OWJIDJGKESUSQU-QWRGUYRKSA-N 266.297 0.109 0 50 CCAA Cc1nc2c(c(=O)n1C)CN(C(=O)Nc1cnns1)C2 299786372 JXQDHQDHXXWNJV-UHFFFAOYSA-N 292.324 0.488 0 50 CCAA CCn1nc(C)c([C@@H](C)NC(=O)c2n[nH]c(O)n2)c1C 823593238 BBLRFKNFGNIBMP-ZCFIWIBFSA-N 278.316 0.835 0 50 CCAA O=C(CCC(F)(F)F)N1C[C@H](O)[C@@H](N2CCOCC2)C1 584903068 FCNBDOVTXYLFSE-UWVGGRQHSA-N 296.289 0.233 0 50 CCAA C=CC(=O)NCCC(=O)Nc1nc2n(n1)CCCC2 1557011661 NYCMUOODSZIUAZ-UHFFFAOYSA-N 263.301 0.245 0 50 CCAA Cc1nc(C)c(CC(=O)N[C@H]2COCC[C@@H]2O)s1 1565528340 MFBCCCRURDREPI-UWVGGRQHSA-N 270.354 0.568 0 50 CCAA CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)O)cc1 268878933 CLOLNKPAMVJVTC-GFCCVEGCSA-N 290.319 0.981 0 50 CCAA CNC(=O)C1CN(C(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)C1 186124563 YJSZUIXWRNZFOC-ZACCUICWSA-N 278.352 0.586 0 50 CCAA COc1nccc(NC(=O)N(C)C[C@H]2CCOC2)n1 276581589 UPEHXSFISBHFQD-SECBINFHSA-N 266.301 0.985 0 50 CCAA NC(=O)NC1CCN(C(=O)[C@H](C(=O)O)C2CCCC2)CC1 663092538 QVKHAROZKSGPES-LLVKDONJSA-N 297.355 0.537 0 50 CCAA CN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](C(=O)O)O1 191165972 ZGPSZXUTNKDARF-NTSWFWBYSA-N 255.192 0.639 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1c(C)noc1C 643847071 SXZVMQNRHAHKFJ-ZDUSSCGKSA-N 282.296 0.997 0 50 CCAA CN(C)[C@H]1CN(C(=O)c2cc3ccccn3c2)C[C@@H]1O 581039769 GDHGBZHIKFGRQU-KBPBESRZSA-N 273.336 0.686 0 50 CCAA Cc1cc(C)nc(N2CCC[C@](O)(c3cnn[nH]3)C2)n1 793982446 XLUQKRYWUWVHGI-CYBMUJFWSA-N 274.328 0.700 0 50 CCAA N[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 1615048593 NTAIKFQGSBPXMI-XHNCKOQMSA-N 293.289 0.393 0 50 CCAA CSCC(=O)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616082987 RZOPFAWDFJVAJK-JQWIXIFHSA-N 266.366 0.806 0 50 CCAA CCCc1noc(CN(C)C(=O)[C@H](C)Cn2cncn2)n1 1506423088 CCULXTRLKLTEOB-SNVBAGLBSA-N 292.343 0.908 0 50 CCAA CCn1ncc(C)c1NC(=O)CCn1nnnc1C 1506424308 IVVSHHCOVSBDMH-UHFFFAOYSA-N 263.305 0.535 0 50 CCAA CNC(=O)CCN(C)[C@@H](C)Cn1nc(C)cc1C 1506407058 NZGQQUCNBUPGSK-LBPRGKRZSA-N 252.362 0.956 0 50 CCAA CO[C@H]1C[C@@H](N(C)C(=O)NC[C@H]2CNCCCO2)C1 333847305 PILDSUYCDXSWBQ-GRYCIOLGSA-N 271.361 0.184 0 50 CCAA Cc1nsnc1C(=O)N1C[C@H]2CCN(C)C(=O)[C@H]2C1 1772804521 BLDWUNZKJSTPQG-BDAKNGLRSA-N 280.353 0.397 0 50 CCAA Cc1nc(CN(CCO)Cc2ncc[nH]2)n(C)c1C 1772702583 WUZAKFGNHJMCQJ-UHFFFAOYSA-N 263.345 0.755 0 50 CCAA CNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 16625262 LKSOEYKVQMUQRW-UHFFFAOYSA-N 272.326 0.062 0 50 CCAA O=C1C[C@H](c2ccccc2)C(=O)N1CCN1CCOCC1 1857526146 QKRLVARIDNVIEI-CQSZACIVSA-N 288.347 0.861 0 50 CCAA O=C(O)[C@@H]1COCCN(C(=O)c2ccc3c(c2)CCO3)C1 1857706374 HMMGVHCJTNYFQA-LBPRGKRZSA-N 291.303 0.795 0 50 CCAA CC1=C(C(N)=O)[C@@H](c2cccc(O)c2)N2NC=NC2=N1 71435 YKPQRZKUBZREQH-LLVKDONJSA-N 271.280 0.411 0 50 CCAA O=C(CNC[C@H]1CCCO1)N(C[C@@H]1CCCN1)C1CC1 328634699 MYBZYJFHRMQNGS-GXTWGEPZSA-N 281.400 0.498 0 50 CCAA C[C@@H]1COCCCN1C(=O)NCc1nnnn1CC1CC1 681164093 QPPKELQXFYUEGZ-SNVBAGLBSA-N 294.359 0.404 0 50 CCAA COC[C@@H](CO)NC(=O)CCc1ccc(N(C)C)cc1 234814630 DPSBVMTYZSRETC-CYBMUJFWSA-N 280.368 0.809 0 50 CCAA O=C([C@@H]1CCCCN1Cc1cnon1)N1CCOCC1 851749047 TTXMRHBKTGQGGZ-LBPRGKRZSA-N 280.328 0.283 0 50 CCAA COc1cc2c(nn1)CCN(C(=O)c1cn(C)c(O)n1)C2 952894578 RWEKHENCLHILCM-UHFFFAOYSA-N 289.295 0.123 0 50 CCAA COc1ncccc1S(=O)(=O)N1CCC[C@@]1(C)CO 877871177 LXAXANBOJNTFAV-LBPRGKRZSA-N 286.353 0.626 0 50 CCAA CON1CCC(N(C)c2cnc(C(=O)O)cn2)CC1 263448093 ZJUUDLUNDDZVDI-UHFFFAOYSA-N 266.301 0.637 0 50 CCAA O=C(OC[C@@H]1CO1)[C@@H]1CC=CC[C@H]1C(=O)OC[C@H]1CO1 245205008 KTPIWUHKYIJBCR-WRWGMCAJSA-N 282.292 0.453 0 50 CCAA Cc1nn(C)c2ncc(CN3CC(=O)N[C@H](C)C3)cc12 294738541 DVXIFNPQXWTMHI-SECBINFHSA-N 273.340 0.597 0 50 CCAA Cc1nc2n(c1C)CCN(C[C@@H](O)Cn1cccn1)C2 364428316 YGRGXLSWEOXKOF-CYBMUJFWSA-N 275.356 0.573 0 50 CCAA COC(=O)C1(NC(=O)C[C@@H]2CO[C@@H](CN)C2)CCCC1 2325780227 QTUZFQSXWPKFSM-GHMZBOCLSA-N 284.356 0.342 0 50 CCAA CN(CCN(C)C(=O)Cc1ccccc1F)C(=O)CO 2325869543 SKYDVJDOAHPKSH-UHFFFAOYSA-N 282.315 0.277 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@]2(CCNC(=O)CN2)C1 2325712162 ZSMKUFIERCGSBI-AWEZNQCLSA-N 283.372 0.866 0 50 CCAA CCN(CC(N)=O)S(=O)(=O)c1ccc(OC)cc1 2883434 NCZGBHMLJMFGTO-UHFFFAOYSA-N 272.326 0.191 0 50 CCAA O=C(NCCc1ccccc1)C(=O)NC[C@H]1CCCO1 2906187 ORULBBMHOUUFSI-CYBMUJFWSA-N 276.336 0.641 0 50 CCAA C[C@H](NC(=O)CC[C@H]1NC(=O)NC1=O)[C@@H]1C[C@H]2CC[C@H]1C2 248379359 MPQYPNZYQQMICD-UHFZAUJKSA-N 293.367 0.916 0 50 CCAA NC(=O)[C@H]1CCC[C@H](C(=O)N2CC(OC(F)F)C2)C1 346314373 OFBAGCAQCLRLRK-YUMQZZPRSA-N 276.283 0.728 0 50 CCAA COC(=O)[C@@H]1CS(=O)(=O)CCN1C[C@@H]1CC=CCC1 221907976 LICIOVMCZNFYBV-NEPJUHHUSA-N 287.381 0.615 0 50 CCAA Cn1cccc1C(=O)NC[C@H]1CN(C2CC2)CCO1 114854563 LMGKILQCHGQQCJ-LBPRGKRZSA-N 263.341 0.618 0 50 CCAA Cc1nc(N2C[C@@H](CO)OC[C@@H]2C)ncc1C(=O)O 134371441 SBSQCEKGHYBPDQ-CBAPKCEASA-N 267.285 0.069 0 50 CCAA CC(C)C[C@H](C(N)=O)C(=O)N(C)CCN(C)C1CC1 408521073 HHCWZBDXCVLSEI-GFCCVEGCSA-N 269.389 0.687 0 50 CCAA Cc1cc(F)cc(C)c1S(=O)(=O)NCC(=O)O 229331997 RVTHDVYIEYZREQ-UHFFFAOYSA-N 261.274 0.805 0 50 CCAA CN(CC1CC1)C[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 328628480 HHWNWLVHBJMYFA-ZDUSSCGKSA-N 278.356 0.593 0 50 CCAA O=C(c1cn2c(n1)CCCC2)N1CCN(C2CC2)C(=O)C1 328827094 QKWSGJGZDWMBCH-UHFFFAOYSA-N 288.351 0.666 0 50 CCAA Cc1cnn(-c2ccncc2NC(=O)[C@@H]2CC(=O)N(C)C2)c1 123652130 LFWLAJGNKPKHHZ-LLVKDONJSA-N 299.334 0.993 0 50 CCAA CN(C)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 37466952 YFDWXIDCLMOGIN-UHFFFAOYSA-N 262.718 0.689 0 50 CCAA Cn1cc(CC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cn1 361402932 BJBYRCJSELSCEX-LBPRGKRZSA-N 287.367 0.787 0 50 CCAA C[C@H]1CN(C(=O)CCCn2ccnc2)C[C@@H](C)N1 153560591 UXQAREXGBXBHKC-TXEJJXNPSA-N 250.346 0.872 0 50 CCAA O=S(=O)(N[C@@H]([C@H]1CCCO1)C1(CO)CCC1)C1CC1 368073860 SXVWONJYFSFZRZ-NEPJUHHUSA-N 289.397 0.778 0 50 CCAA C[C@H]1CN(C(=O)[C@H](N)C2CCOCC2)CC(C)(C)O1 261603809 AHHJXCPSXFXMDD-CMPLNLGQSA-N 270.373 0.766 0 50 CCAA O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ccc2nccnc2n1 333528864 INOUQFUDJKQDIP-VIFPVBQESA-N 297.318 0.518 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1OC 333965174 PSGJGMSSTXJASV-JOLBHGKHSA-N 269.341 0.863 0 50 CCAA CNS(=O)(=O)c1ccc(NCC[S@](C)=O)cc1 158420823 JYPMUGXNVUAAQN-MRXNPFEDSA-N 276.383 0.385 0 50 CCAA COc1ccc2c(c1)N(CC(=O)NCC(=O)O)CCO2 262197931 HUJAUMHPFKRGQT-UHFFFAOYSA-N 280.280 0.095 0 50 CCAA Cc1cc(C)c(S(=O)(=O)N2CCN(C)C(=O)C2)s1 335200202 FTCQGCYJKUUDQJ-UHFFFAOYSA-N 288.394 0.828 0 50 CCAA CN(CC(N)=O)C[C@@H]1CN(c2ccc(Cl)cn2)CCO1 282293917 QTYGRNKPLRIDFZ-LLVKDONJSA-N 298.774 0.357 0 50 CCAA CCCn1cc(CNC(=O)CN2CCC[C@@H](O)C2)cn1 223146355 BTTWHTLGKLBUPM-CYBMUJFWSA-N 280.372 0.366 0 50 CCAA CN1CCN(c2cc(-c3cncnc3)nc(N)n2)CC1 40833598 PAQJDMHAEFDKPF-UHFFFAOYSA-N 271.328 0.268 0 50 CCAA CC[C@H](C(=O)O)N1CCN(CC(F)(F)F)C(=O)C1 263583181 ZOXGELSMIBYHSC-SSDOTTSWSA-N 268.235 0.556 0 50 CCAA CC(C)Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)nc(N)n1 82135286 HWVUMADWNHNJFX-ONGXEEELSA-N 295.362 0.687 0 50 CCAA CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(C)C)C[C@@]23C=C[C@H]1O3 226705338 AEDVTSVCGQKNTJ-DEKYYXRVSA-N 265.309 0.740 0 50 CCAA C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](C(=O)O)C1 178257042 NZEZOTJSYNSMFB-VHSXEESVSA-N 264.281 0.782 0 50 CCAA CS(=O)(=O)CCC(=O)NCc1ccc2c(c1)CCO2 523022550 ZXHKLPVVHSRZSF-UHFFFAOYSA-N 283.349 0.672 0 50 CCAA Cc1ncc(C(=O)NCCSc2nccn2C)c(=O)[nH]1 91829371 KBEOKGXHCBLRML-UHFFFAOYSA-N 293.352 0.334 0 50 CCAA O=C(O)[C@@H]1CCN1C(=O)c1cn2ccsc2n1 95528858 ZTNUDXBOUBUEHK-ZETCQYMHSA-N 251.267 0.695 0 50 CCAA CC(C)n1cncc1CN1CCN(CC(=O)O)C(=O)[C@@H]1C 244763850 OWNPAYONVBCBRV-NSHDSACASA-N 294.355 0.581 0 50 CCAA CCc1n[nH]c(SCC(=O)N[C@@H](C)Cn2cncn2)n1 244898861 ZCYDUOWZVSCJNZ-QMMMGPOBSA-N 295.372 0.256 0 50 CCAA COc1ccc([C@H]2Cn3nnc(C(N)=O)c3CO2)cc1 263617019 LSAUECZDWVAYCC-LLVKDONJSA-N 274.280 0.657 0 50 CCAA Cc1cc2nc(C(=O)NC[C@@H]3CNCCO3)cc(C)n2n1 534670143 FQCBMQMMHAKRGO-NSHDSACASA-N 289.339 0.064 0 50 CCAA O=C([C@H]1CC[C@@H](O)CC1)N1C[C@@H]2CC[C@H]1CNC2 534640781 PBAGHXHZXYCEAJ-NDBYEHHHSA-N 252.358 0.748 0 50 CCAA C[C@@H]1C(=O)N(C)CCN1C(=O)Nc1ccnn1CC1CC1 299776985 IYJYSTXUOLYGHF-SNVBAGLBSA-N 291.355 0.988 0 50 CCAA Cc1cc(F)ccc1NC(=O)NC[C@@]1(O)CCNC1 299801824 QKLOLGNOXLWYHN-CYBMUJFWSA-N 267.304 0.980 0 50 CCAA O=C(c1cccc(-c2ncccn2)c1)N1CC[C@](O)(CO)C1 299775592 KRCZJBNQLZCMOQ-MRXNPFEDSA-N 299.330 0.713 0 50 CCAA CN(C)[C@@H]1CCN(CC(=O)NCc2n[nH]c3c2CCC3)C1 299762800 YFRJJSFJLNUXEU-LLVKDONJSA-N 291.399 0.151 0 50 CCAA Cc1nc(O)c2c(n1)CN(C(=O)Cc1ccccn1)C2 584897622 QPAQXFCLHMPWSD-UHFFFAOYSA-N 270.292 0.971 0 50 CCAA Nc1n[nH]c(CNC(=O)CCc2n[nH]c3c2CCCC3)n1 952972225 HULFPIJMDMJURB-UHFFFAOYSA-N 289.343 0.238 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)C1 630255186 GXIJFRPXMFHTLU-MZODFIPJSA-N 285.340 0.748 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCN(C)C(=O)C2)C1 192857443 RZULOUDHRPOGSR-GHMZBOCLSA-N 289.401 0.174 0 50 CCAA CS(=O)(=O)N1CC(CN2C[C@H](O)Cc3ccccc32)C1 585116804 JEQLKSDXAQXGBT-CYBMUJFWSA-N 296.392 0.301 0 50 CCAA c1cn(C[C@H]2CN(CCO[C@@H]3CCCCO3)CCO2)nn1 585115973 BVJHDNWSDSNERO-ZIAGYGMSSA-N 296.371 0.522 0 50 CCAA CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC2)cc1 311396 CKZGQIUOWMBCKS-UHFFFAOYSA-N 268.338 0.829 0 50 CCAA CC(=O)NC(C)(C)C[C@H](C)NCCc1nncn1C 1506406628 NIVKBJJTYLDVBG-JTQLQIEISA-N 267.377 0.641 0 50 CCAA C[C@H]1C[C@H]1c1nc(C(C)(C)NS(C)(=O)=O)no1 225607099 GQTUMHKZMQAOOP-NKWVEPMBSA-N 259.331 0.977 0 50 CCAA CCOCCC(=O)N(CCO)Cc1cnc(C)[nH]1 1704315624 MQCUZCXYJIPTJJ-UHFFFAOYSA-N 255.318 0.466 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)NC(C)(C)CCC(=O)O 236814108 BDWMPSJHJHXPOR-SNVBAGLBSA-N 270.329 0.757 0 50 CCAA Cc1nnc(N2CCC3(CC2)CN(C)C(=O)CO3)o1 1800413822 JEBXBMNRYCTJJF-UHFFFAOYSA-N 266.301 0.206 0 50 CCAA O=c1c2ccncc2ncn1C[C@@H](O)C(F)(F)F 158518393 QMCCDQIBTMIVGN-MRVPVSSYSA-N 259.187 0.715 0 50 CCAA O=C(c1nnc2n1CCCC2)N1CCC(C2(O)CC2)CC1 1772804415 ONLYUCCHDBPZCN-UHFFFAOYSA-N 290.367 0.992 0 50 CCAA O=C(CCn1cccn1)N1CCCN([C@@H]2CCOC2)CC1 1775984541 YLRQPFPEYAYPEX-CQSZACIVSA-N 292.383 0.596 0 50 CCAA CN1N=C(C(=O)NCCc2cn3ccccc3n2)CCC1=O 19113745 UVDJNDJTQNSKKY-UHFFFAOYSA-N 299.334 0.601 0 50 CCAA OC[C@@H](O)CN1CCc2[nH]nc(-c3ccccc3)c2CC1 1857711240 PIAJBUDIJXALCG-ZDUSSCGKSA-N 287.363 0.831 0 50 CCAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(S(=O)(=O)C2(C)CC2)C1 408470257 QIXVOLDQEZHBJO-BDAKNGLRSA-N 286.357 0.449 0 50 CCAA C[C@@H]1NCCC[C@H]1C(=O)N1CCNC[C@@H]1c1cccnc1 333418686 SEPIXTDZVDTSFR-NWANDNLSSA-N 288.395 0.943 0 50 CCAA CC[C@@H](C)n1[nH]c(=NC(=O)N[C@]2(CO)CCOC2)cc1C 334046041 LYWCICPAKQOVEF-YGRLFVJLSA-N 296.371 0.857 0 50 CCAA COC[C@H]1CCCN(C(=O)c2cnc(C(=O)O)cn2)C1 263235192 CRHKVBCNFCRTBR-VIFPVBQESA-N 279.296 0.673 0 50 CCAA CC1(C)[C@@H](N)C[C@H]1NC(=O)c1ccc(-n2cnnn2)cc1 398346653 PVYNREAUEVNQBG-NWDGAFQWSA-N 286.339 0.518 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1ccccc1O)C2 1704307890 LUJBIJYWCIHKJE-JSGCOSHPSA-N 290.363 0.724 0 50 CCAA c1ccc(Cn2nnnc2N2CCCn3nncc3C2)cc1 929059752 QKGYUDRIXUGMHY-UHFFFAOYSA-N 296.338 0.723 0 50 CCAA O=C(Nc1cnn[nH]1)C1C[C@@H]2CSC[C@H](C1)C2=O 935595775 RIQRRBYHYICZOW-IEESLHIDSA-N 266.326 0.702 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2CN)[C@H](C)CO1 247165791 QSKUOZOORMNDGQ-UTUOFQBUSA-N 291.417 0.154 0 50 CCAA CO[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)C[C@H]1O 1875362331 ADIOHVDGJTXBQV-SYQHCUMBSA-N 297.376 0.564 0 50 CCAA C=CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2COC)[C@@H](C)C1 1875381361 RULYACPCWWOKBO-SDDRHHMPSA-N 266.341 0.514 0 50 CCAA C=CC(=O)N1CCC(C(=O)N(C)CCc2ncon2)CC1 1875369157 WEVPDALUIGZMSH-UHFFFAOYSA-N 292.339 0.495 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H](CO)[C@@H](O)C1CCCCC1 1875377079 RSVRIEBYCVRJOJ-YQKVRLQISA-N 284.400 0.523 0 50 CCAA CN1CCOC[C@@]1(CO)CNc1ncnc2ccccc12 895612928 SERPNMZUZOHQPI-HNNXBMFYSA-N 288.351 0.735 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)[C@@H]1C[C@@H]1C1CC1 237126978 NSVFFOLAEJXKPS-GHMZBOCLSA-N 254.330 0.507 0 50 CCAA C[C@H](CN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O)CS(C)(=O)=O 249363410 AIOYZAMMXMJFFF-KISRQWFGSA-N 273.398 0.368 0 50 CCAA NC[C@@H]1CCCCN1C(=O)c1ccn2cnnc2c1 97088358 NFPRYFNCIHMYCG-NSHDSACASA-N 259.313 0.683 0 50 CCAA O=C(c1cccc2c1CCCC2)N1C[C@@H](O)[C@@H](CO)C1 333630351 BEVYUTXPMFWOMM-IUODEOHRSA-N 275.348 0.991 0 50 CCAA CC(C)c1nnc(N2C[C@H](O)[C@@H](N(C)C)C2)s1 670434424 JALZNINFIVSMRJ-IUCAKERBSA-N 256.375 0.773 0 50 CCAA COc1cc(Cn2cc(S(C)(=O)=O)cn2)sn1 901604035 XFMZEKJIFXRHSQ-UHFFFAOYSA-N 273.339 0.800 0 50 CCAA O=C(C[C@]1(O)CCCNC1)NCC[C@@H]1CCCCO1 888096638 NQEROOPZAWTGEB-GXTWGEPZSA-N 270.373 0.566 0 50 CCAA NC(=S)C(NC(=O)c1ccccc1)=C1NCCN1 2050024951 KIUIPBCMSZUMFY-UHFFFAOYSA-N 262.338 0.064 0 50 CCAA CN1C[C@@H](C(=O)N2CCc3ccccc3CC2)NCC1=O 1775494588 OFKOJYATRHXPFV-AWEZNQCLSA-N 287.363 0.044 0 50 CCAA COC1CN(c2noc(-c3cc(O)nc(C4CC4)n3)n2)C1 2325803324 ABMAVLRSLIECHK-UHFFFAOYSA-N 289.295 0.945 0 50 CCAA Cc1nonc1CC(=O)N[C@@H]1CC[C@H](c2nc(=O)o[nH]2)C1 2325822012 WSSCCXKWPGPHCA-JGVFFNPUSA-N 293.283 0.049 0 50 CCAA CNC(=O)CSc1nc2ccccc2c(=O)n1C 311813 QRDICTZCAGDNLZ-UHFFFAOYSA-N 263.322 0.772 0 50 CCAA CC1(C)O[C@H](C(=O)N2CCCC2)[C@@H](C(=O)N2CCCC2)O1 405633 PKSDTIDJXCBGRL-RYUDHWBXSA-N 296.367 0.751 0 50 CCAA CN1CCN(NC(=O)Nc2ccc3c(c2)OCO3)CC1 4395665 JKROQFZAZVVLBT-UHFFFAOYSA-N 278.312 0.699 0 50 CCAA COC(=O)c1c(NC(=O)C(N)=O)sc2c1CCCC2 4851566 LRJXGGAQEKDAPP-UHFFFAOYSA-N 282.321 0.837 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1 6680823 XDPHTOPDHLCTGH-UHFFFAOYSA-N 290.366 0.129 0 50 CCAA O=C1CN(C(=O)[C@H]2CCCN2C(=O)C2CCCCC2)CN1 55325682 CCGZAXLWGIMTSA-GFCCVEGCSA-N 293.367 0.474 0 50 CCAA CCn1cnc2c(N3CCC[C@H]4C(=O)NC[C@H]43)ncnc21 225576532 YYWSIYJQYMFXIR-NXEZZACHSA-N 286.339 0.561 0 50 CCAA CCc1ncnc(N2CCC[C@H]3C(=O)NC[C@H]32)c1F 225576450 WEFJTSQXHMOPKP-PSASIEDQSA-N 264.304 0.893 0 50 CCAA COC[C@H](O)CN1CCN(C(=O)OC(C)(C)C)CC1 22016213 OYWQZHQKGYDOOF-LLVKDONJSA-N 274.361 0.546 0 50 CCAA CCOc1cc(C(=O)NCCN2CCCOCC2)[nH]n1 1362514506 DBUURFHCIVXDTO-UHFFFAOYSA-N 282.344 0.261 0 50 CCAA O=C([C@H]1CCCO1)N1CCC2(CC1)NCCc1[nH]cnc12 65432808 LIFCOAZNYFMNIL-GFCCVEGCSA-N 290.367 0.552 0 50 CCAA CCCCCC(=O)N1CCO[C@H](CN(C)CC(=O)O)C1 328621420 ALBPNDNXXLLUMK-GFCCVEGCSA-N 286.372 0.811 0 50 CCAA C[C@@H]1CCO[C@H]1C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 328640167 XFVLYGINABZGBI-JHJVBQTASA-N 292.383 0.660 0 50 CCAA O=S(=O)(C1CCCCC1)N1CCn2ncnc2C1 329905604 AUTMTDFACGJBTN-UHFFFAOYSA-N 270.358 0.756 0 50 CCAA O=C1NC[C@]2(CCCN(C(=O)CCCc3cn[nH]c3)C2)O1 72169014 OOIAVLRUULPKBS-AWEZNQCLSA-N 292.339 0.833 0 50 CCAA CCOC(=O)[C@@H]1CCCN([C@H]2C[C@H](C)OC2=O)C1 155854285 HSLALPKLHWCFOZ-AXFHLTTASA-N 255.314 0.966 0 50 CCAA CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cccnc1N)C2 216518878 GVRMUNNFYTYNOC-NEPJUHHUSA-N 260.341 0.716 0 50 CCAA NC(=O)c1ccc(OCC(=O)N2CCC[C@H]2C(=O)O)cc1 262695245 HRDMWVSXRPVWOH-NSHDSACASA-N 292.291 0.240 0 50 CCAA CN(CCc1ccccn1)C(=O)[C@H]1COCCO1 47953947 BUMQBTXVWISDHV-GFCCVEGCSA-N 250.298 0.498 0 50 CCAA Cn1nncc1C(=O)N1CCN(c2ccccn2)CC1 281043969 PRBRBMFVEUQZLV-UHFFFAOYSA-N 272.312 0.173 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)Cc1cnccn1 222921708 VODNZNJHHNYAOZ-JTQLQIEISA-N 274.328 0.898 0 50 CCAA CCCc1cc(C(=O)N[C@H]2COC[C@@H]2OCC)n(C)n1 82115265 URNBBMFYIHZPKR-AAEUAGOBSA-N 281.356 0.906 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 285380506 WMCRMYMOJDBMJM-QWHCGFSZSA-N 292.383 0.582 0 50 CCAA CN1CCN(CC(=O)NCCCc2ccco2)C1=O 426477133 AFFZBZGWFOUGNT-UHFFFAOYSA-N 265.313 0.696 0 50 CCAA CS(=O)(=O)CCN1CCn2nc([C@@H](O)C3CC3)cc2C1 222494151 MBJRBOXOSWLCNX-ZDUSSCGKSA-N 299.396 0.187 0 50 CCAA Cc1cc(=O)[nH]c(CCNC(=O)c2cccn2C)n1 223740589 WUGIQJRAMSVKRC-UHFFFAOYSA-N 260.297 0.389 0 50 CCAA CCn1cc(C(=O)NCCS(=O)(=O)CC)cn1 97654235 FCGGPNMRKSUCPC-UHFFFAOYSA-N 259.331 0.068 0 50 CCAA O=C(NCc1cccc(N2CCC2=O)c1)c1cccc[n+]1[O-] 239653708 BKVLYQIZJHTEOU-UHFFFAOYSA-N 297.314 0.987 0 50 CCAA Cn1nccc1CCC(=O)NC[C@H]1CCCNC1 97570850 NJZTVQNOWYRZQK-NSHDSACASA-N 250.346 0.469 0 50 CCAA CN1CC[C@]2(CCN(C(=O)NCCn3ccnc3)C2)C1 291765603 VGEFOOJQLATGAR-AWEZNQCLSA-N 277.372 0.620 0 50 CCAA Cc1cc(C)n(CCn2cc([C@H]3CCOC3)nn2)c(=O)n1 91965097 QGVAEDIXXPWSTR-LBPRGKRZSA-N 289.339 0.656 0 50 CCAA CNC(=O)[C@H](C)NC(=O)c1ccc(N2CCC2)nc1 621702380 TZQNIKRFHQDLLY-VIFPVBQESA-N 262.313 0.156 0 50 CCAA Cc1cnc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)cn1 299751034 PGGPIIXAJNYJHZ-LLVKDONJSA-N 293.323 0.881 0 50 CCAA CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(C)(C)C)C1 534581726 QFCHCWMLVRIORS-NSHDSACASA-N 284.404 0.494 0 50 CCAA Cc1[nH]ccc1C(=O)N1CCCN(CC(=O)N(C)C)CC1 363599757 FGFXVZZVIMMMIP-UHFFFAOYSA-N 292.383 0.559 0 50 CCAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCNCC2 299776291 MZWBUFJCHVVSGK-UHFFFAOYSA-N 288.351 0.988 0 50 CCAA COCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)O)C2 299793265 HVSCPNOUZKNALT-YFKPBYRVSA-N 284.293 0.558 0 50 CCAA CC[C@@H](NC(=O)CN1CCCN(C)CC1)c1ncc(C)[nH]1 584899311 QTMCFIOFCXHQKE-CYBMUJFWSA-N 293.415 0.923 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NCCc1csc(N)n1 584897990 XLPBWFNHMFNQGQ-UHFFFAOYSA-N 279.369 0.967 0 50 CCAA Nc1ncc(C(=O)NCCCN2CCC(O)CC2)s1 584888980 GSCGLOKPIFDMFL-UHFFFAOYSA-N 284.385 0.302 0 50 CCAA CCCc1nc(N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)no1 670473461 MCHKLMVCSVGSDN-OCAPTIKFSA-N 264.285 0.073 0 50 CCAA Cc1nc(C)n(CCCNC(=O)[C@@H](C)Cn2cccn2)n1 952974947 XIMFRBHNXDIFNT-NSHDSACASA-N 290.371 0.934 0 50 CCAA COC[C@H](C)NC(=O)c1cnc2scc(C)n2c1=O 16647954 LHDWMBFYCNCSOG-ZETCQYMHSA-N 281.337 0.829 0 50 CCAA Cc1ccc(NC(=O)N2CC[C@@](O)(C(N)=O)C2)cc1 170613518 YIDCNFIFMVRLHY-ZDUSSCGKSA-N 263.297 0.449 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1c[nH]nc1C 643764884 HRPCGJRQKISCOI-CYBMUJFWSA-N 266.345 0.445 0 50 CCAA O=C(O)c1cn([C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2)nn1 583324803 LKGBWCSYDOPZFL-VHSXEESVSA-N 294.311 0.176 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cncc(C)c2)C1 644039703 NRKVCNJLWWXMLU-HNNXBMFYSA-N 291.351 0.493 0 50 CCAA CCN(Cc1ccccn1)C(=O)c1ccc2c(c1)COB2O 584961428 VCIVFZBYKUGOBO-UHFFFAOYSA-N 296.135 0.962 0 50 CCAA O=C(N=c1[nH]ncs1)N1CC[C@@H](C(=O)N2CCCC2)C1 562026545 WSKBERJMBIAGQQ-SECBINFHSA-N 295.368 0.436 0 50 CCAA C[C@H]1CN(c2nccn3cnnc23)C[C@@H](C)N1CCO 649462056 IJOVVWKRIBNAHU-PHIMTYICSA-N 276.344 0.016 0 50 CCAA Cn1cc(CCCN2C[C@H](C(=O)O)CC2=O)cn1 65405097 GJJXJVARNMCKCC-SNVBAGLBSA-N 251.286 0.286 0 50 CCAA CCNc1ncc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cn1 91426875 FTFRMNBKGGSBTR-SECBINFHSA-N 298.368 0.073 0 50 CCAA CNC(=O)c1ccc(N2CC[C@](C)(C(=O)O)C2)nc1 1614994204 QGKSLMFODBNGHA-ZDUSSCGKSA-N 263.297 0.742 0 50 CCAA COCc1nocc1C(=O)NC[C@H]1CC[C@@H](CO)O1 1615908695 OTZHYDWLBUFZCL-BDAKNGLRSA-N 270.285 0.091 0 50 CCAA CCO[C@H]1COC[C@@H]1Nc1ccc(C(=O)N(C)C)cn1 1704312562 VFOZBTNDTLNSRM-RYUDHWBXSA-N 279.340 0.999 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCCn2cnc(C)c2C)CC[C@@H]1O 1704333606 BMNWLXMJWJZMNJ-HZSPNIEDSA-N 295.383 0.792 0 50 CCAA Cc1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 4806415 WGEZOEILERPXKC-NSHDSACASA-N 253.323 0.912 0 50 CCAA C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)O)C2=O 238854265 NFEWOXHSNQUNSC-IJBDUVHLSA-N 254.286 0.818 0 50 CCAA in-vitro Cc1sc(C(=O)NC[C@@H](C)O)cc1CS(C)(=O)=O 131866942 KDBLITBEIWPOPG-SSDOTTSWSA-N 291.394 0.712 0 50 CCAA O=C(O)c1cnc(N2C[C@@H]3[C@@H](C2)C3(CO)CO)c(Cl)c1 1772815749 ZURNTYKOLFVHSF-RKDXNWHRSA-N 298.726 0.470 0 50 CCAA CC(C)NC(=O)CCN1CCN(C[C@H](C)O)[C@H](C)C1 247179499 NMCOIWJBXNMENL-OLZOCXBDSA-N 271.405 0.288 0 50 CCAA CCC[C@@H]1C=CCN1C(=O)c1cnc(C(N)=O)cn1 1772709433 JTENWNUSRLXRTR-SECBINFHSA-N 260.297 0.756 0 50 CCAA COc1ccc(C[C@H]2CN(S(C)(=O)=O)CCO2)cc1 11873128 VLRXHVYFYMTQHX-ZDUSSCGKSA-N 285.365 0.898 0 50 CCAA Nc1cncc(N2CCC[C@H](c3cc(O)ncn3)C2)n1 1857680391 LYHLDABCWKWIGK-VIFPVBQESA-N 272.312 0.938 0 50 CCAA Cc1nc(C(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)cs1 1857726350 MWNYJWMVDGJLNM-MFKMUULPSA-N 293.348 0.625 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCCCOc2cccnc2)C[C@H]1O 1857734520 URGXBOQSNKKPFY-CYZMBNFOSA-N 279.340 0.065 0 50 CCAA COc1ccccc1CCNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1 1857734785 RMXNGQQKGXJOST-AVGNSLFASA-N 278.352 0.452 0 50 CCAA O=C(O)[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1 20255153 LWOASKLVDJFMEW-SECBINFHSA-N 262.331 0.124 0 50 CCAA in-vitro C[C@H]1CN(C(=O)NCc2cnn(C)n2)C[C@@H](C2CC2)O1 805996470 LPDIWWVSMMBKFK-CABZTGNLSA-N 279.344 0.524 0 50 CCAA CN(C)c1n[nH]c(CNS(=O)(=O)c2cccs2)n1 907375324 DYHSSXKOMARBSA-UHFFFAOYSA-N 287.370 0.411 0 50 CCAA O=C(NCc1cnn[nH]1)[C@@H]1CCN(Cc2ccccc2)C1=O 934034204 YGMYRAWNCPMZSP-ZDUSSCGKSA-N 299.334 0.470 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 848979589 ZBZRXZMJPXUXIK-LLVKDONJSA-N 282.340 0.433 0 50 CCAA CCOC(=O)c1[nH]nc(NC(=O)c2cnsn2)c1C 952992884 SPNPKNCUQNUBLU-UHFFFAOYSA-N 281.297 0.999 0 50 CCAA Cc1nc(S(=O)(=O)CCc2c(C)noc2C)n[nH]1 1875255196 FUVDGBJUGMZAPJ-UHFFFAOYSA-N 270.314 0.734 0 50 CCAA C[C@@H]1CCN[C@H](C)[C@@H]1NC(=O)/C=C/c1cncn1C 888096670 NYKOPPSRTWSQBF-MNKRUUAMSA-N 262.357 0.936 0 50 CCAA COC1(C(F)(F)F)CN(C(=O)NCc2cn(C)nn2)C1 894120989 VGYOHDBDGBMFLR-UHFFFAOYSA-N 293.249 0.288 0 50 CCAA CCc1ccnc(C(=O)N2CC[C@@H](Cc3nn[nH]n3)C2)c1 1775987838 XKOFRXGVCQVCPG-NSHDSACASA-N 286.339 0.862 0 50 CCAA Cn1ccnc1[C@@H](NC(=O)c1cnc(O)cn1)C1CC1 252490412 KSWDLGSDZKMKGF-NSHDSACASA-N 273.296 0.797 0 50 CCAA CCc1cnc(NCCN2CCC(O)CC2)nc1 95359219 YRRAAGVARVQENF-UHFFFAOYSA-N 250.346 0.908 0 50 CCAA CCc1nccn1CCCNS(=O)(=O)c1cn[nH]c1 670454902 XNOLYXACIDQABA-UHFFFAOYSA-N 283.357 0.537 0 50 CCAA CN1CCC(O)(CNC(=O)c2cc(O)ccc2F)CC1 584884556 MWHAEYXEZLEZBM-UHFFFAOYSA-N 282.315 0.718 0 50 CCAA CCN(C(=O)[C@H]1C[C@@H](CC(=O)O)C1)[C@@H](C)C(=O)O 2325789781 MIPHTDIPKYNKRE-XHNCKOQMSA-N 257.286 0.809 0 50 CCAA CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 1708203 LHSGPCFBGJHPCY-OLZOCXBDSA-N 294.351 0.878 0 50 CCAA endogenous,in-man CCN(CC)CCCNC(=O)C(=O)Nc1nccs1 1786204 XGTFOMNLBCBHBV-UHFFFAOYSA-N 284.385 0.930 0 50 CCAA O[C@@H]1C[C@@H](O)CN(Cc2ccc3c(c2)OC(F)(F)O3)C1 2356134189 CGRIBRAMSFJETF-NXEZZACHSA-N 287.262 0.936 0 50 CCAA Cc1nc(N2CCC(N3CC(O)C3)CC2)c2[nH]ccc2n1 2356169062 KBSYHXGMPSTNHU-UHFFFAOYSA-N 287.367 0.912 0 50 CCAA CCOC(=O)N[C@H]1[C@H](NC(=O)OCC)N(C)C(=O)N1C 4992103 LNDFRMQBPSSIFA-HTQZYQBOSA-N 288.304 0.128 0 50 CCAA O=C(Cc1ccccn1)NC[C@@H]1CC(=O)N(C2CC2)C1 67472926 PRYLJFUSXXVOLS-NSHDSACASA-N 273.336 0.751 0 50 CCAA Nc1[nH]nc(C(=O)N2CC(N3CCCCC3)C2)c1Cl 219428621 BHCRLTGDQDAJED-UHFFFAOYSA-N 283.763 0.956 0 50 CCAA COCCN1CC[C@@H](NC(=O)Cc2ccoc2)C1 331045259 FOSAWEJAIRYRTE-GFCCVEGCSA-N 252.314 0.659 0 50 CCAA O[C@H](Cn1nnnc1-c1ccccn1)C(F)(F)F 158259842 PVXFZJYCCYRWPC-SSDOTTSWSA-N 259.191 0.658 0 50 CCAA NC[C@@H]1CCCC[C@@H]1NCCN1C[C@@H]2CC[C@H](C1)O2 333306979 RBIREYAPTAQRKH-XQLPTFJDSA-N 267.417 0.957 0 50 CCAA Cn1nc2n(c1=O)CCN(C[C@@H]1CCC(C)(C)O1)C2 376333302 NDLQCTNGWLZLLF-JTQLQIEISA-N 266.345 0.355 0 50 CCAA COC[C@H](CO)NC(=O)c1ccc(-n2cccc2)nc1 242183903 XCWDZIZQMYLLSB-LBPRGKRZSA-N 275.308 0.609 0 50 CCAA Cc1cnn(CC(=O)N(C)C[C@@H]2COCCO2)c1 221422657 RQXCVLUSBQKXDP-LLVKDONJSA-N 253.302 0.065 0 50 CCAA O=C(NCCCC[C@H]1CCCO1)c1c[nH]c(=O)[nH]1 220615934 PEXPMRFMORZGSY-VIFPVBQESA-N 253.302 0.782 0 50 CCAA CCc1noc(CNC(=O)N2CCN(C)C(=O)[C@@H]2C)n1 426606722 HYFXSVGEUNULMS-QMMMGPOBSA-N 281.316 0.004 0 50 CCAA Cc1cc(CNC(=O)CN2CCN(C)C2=O)cnc1C 426477733 LISQLJHIXHUQBJ-UHFFFAOYSA-N 276.340 0.682 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)COc1ccccc1O 178468965 DBDJYMLPMYSZQG-NSHDSACASA-N 292.335 0.898 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)CCc2cn[nH]c2)C1 91695768 CPJQLLRBNZBWAU-OAHLLOKOSA-N 295.383 0.980 0 50 CCAA O=C(NCc1nnn[nH]1)c1cnc(Nc2ccccc2)nc1 97594942 ARJIDWVTTATDTF-UHFFFAOYSA-N 296.294 0.663 0 50 CCAA O=C(c1ccc[nH]1)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2O 92077650 BKTYOKUFKYUSKB-OLZOCXBDSA-N 294.351 0.379 0 50 CCAA Cc1c[nH]c(CN(C)CC(=O)NC[C@H]2CCCO2)n1 244695640 JPSNAXPOCPXJDH-LLVKDONJSA-N 266.345 0.445 0 50 CCAA Cc1nonc1CNC(=O)COC[C@H]1CCCCO1 244773890 PIHXVULGTVRGMK-SNVBAGLBSA-N 269.301 0.580 0 50 CCAA CC[C@@H](C)N1CCN(C(=O)c2cc(OC)n(C)n2)CC1 296841784 GZEGYENFBNJVQQ-LLVKDONJSA-N 280.372 0.985 0 50 CCAA O=C(O)CNC(=O)CCc1ccc2c(c1)OCCCO2 299753039 WPGZRTUVIIGMRX-UHFFFAOYSA-N 279.292 0.981 0 50 CCAA NC(=O)[C@@H]1CN(c2cnccn2)C[C@H]1C(F)(F)F 299742523 JUYCKUPTMUWBCL-RNFRBKRXSA-N 260.219 0.577 0 50 CCAA CO[C@@H]1CCCN(c2nc(N)c3cnn(C)c3n2)C1 278445104 RAJZPJIUPLPRRY-MRVPVSSYSA-N 262.317 0.561 0 50 CCAA Cc1csc(CCCNC(=O)C[C@H]2CNCCO2)n1 299773976 HCFKSYHKFFVUMH-NSHDSACASA-N 283.397 0.879 0 50 CCAA CC(C)C[C@@H](CC(=O)O)NC(=O)CCc1nncn1C 820970643 MBNJMHKWOCHNIY-JTQLQIEISA-N 282.344 0.753 0 50 CCAA C[C@H]1CCCCN1CC(=O)N(C)Cc1nncn1C 827887474 IEUQXKVQFIEYOR-NSHDSACASA-N 265.361 0.648 0 50 CCAA CCc1nc(CCN[C@H](C)CN2CCN(C)CC2)no1 823576190 TVAFAHFRFVAEFL-GFCCVEGCSA-N 281.404 0.400 0 50 CCAA CN(CC(=O)NCc1nc(O)n[nH]1)Cc1ccc(F)cc1 584889790 JDAWTJHIBWOQCJ-UHFFFAOYSA-N 293.302 0.398 0 50 CCAA CN1CCN(C)[C@H](CNC(=O)CCCN2CCCC2)C1 584904173 NPZUGCALXBQVJB-CQSZACIVSA-N 282.432 0.224 0 50 CCAA COC(C)(C)CCNC(=O)c1cnc(O)nc1O 584890489 JDOHVQXZTWKQFA-UHFFFAOYSA-N 255.274 0.433 0 50 CCAA O=c1c2ncccc2ncn1[C@@H]1COC2(CCNCC2)C1 670452396 PMSGGCFPYGJTMT-NSHDSACASA-N 286.335 0.875 0 50 CCAA COC[C@H](C)NC(=O)C1CCN(Cc2cc[nH]n2)CC1 670444613 MIQKFHREHRZFCM-NSHDSACASA-N 280.372 0.773 0 50 CCAA N[C@@H]1CCCN[C@@H]1[C@@H]1CC[C@H](C(F)(F)F)NC1 757216174 YFGVXXOHRSIJNX-ZYUZMQFOSA-N 251.296 0.996 0 50 CCAA c1ccc([C@H]2CN(CCn3cncn3)CCN2)cc1 240825083 QMPIZFAZCRZHJL-CQSZACIVSA-N 257.341 0.925 0 50 CCAA C[C@@](CO)(NC(=O)c1cnc(C2CC2)nc1N)C1CC1 1446067633 AVPAJYMMEDDVEG-AWEZNQCLSA-N 276.340 0.827 0 50 CCAA Cc1nc(CN[C@@H]2CC=CC[C@H]2C(N)=O)n(C)c1C 952978677 BOTJXSFFCBQZLU-VXGBXAGGSA-N 262.357 0.947 0 50 CCAA CN1CC[C@@H](NC(=O)CC(N)=O)[C@H]1c1ccccc1 270618344 GSKKMWGKERMKIR-BXUZGUMPSA-N 261.325 0.423 0 50 CCAA CC1=CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 270976272 CLDQXDRBKSWPDM-UHFFFAOYSA-N 281.337 0.521 0 50 CCAA CN1CCN(C(=O)Cc2cccnc2)C[C@@H]1c1nccn1C 276805173 WNNMMODVAARYEG-CQSZACIVSA-N 299.378 0.873 0 50 CCAA CO[C@@H]1CN(C(=O)Cc2cnn3c2CCCC3)CCO1 632688016 ALASVHNSWOBXPB-AWEZNQCLSA-N 279.340 0.593 0 50 CCAA CN1C(=O)CC[C@H](C(=O)NCC(=O)O)[C@H]1c1ccccc1 170047794 OFIUVQFXQMUYAP-SMDDNHRTSA-N 290.319 0.797 0 50 CCAA CN(CCc1ccccn1)S(=O)(=O)c1cnnn1C 170603717 SRGAKZYUNFRKNC-UHFFFAOYSA-N 281.341 0.073 0 50 CCAA Cc1cnccc1CN1CC[C@H](n2cc(C(N)=O)nn2)C1 643789555 BUENTLFZOJTRJM-LBPRGKRZSA-N 286.339 0.527 0 50 CCAA O=C(Nc1ccc2cc[nH]c2n1)[C@H]1CCS(=O)(=O)N1 652425359 OHNJCTRUUUTALN-MRVPVSSYSA-N 280.309 0.193 0 50 CCAA Cc1cc(N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)ccn1 1613882152 WZCBVGFRWRXOGM-YPMHNXCESA-N 299.396 0.079 0 50 CCAA CCOC(=O)CCCNC(=O)N[C@H]1C(=O)OCC1(C)C 1615571293 INPAKZBMHVAUBS-JTQLQIEISA-N 286.328 0.581 0 50 CCAA CO[C@H]1CN(c2cc(N3CCCCC3)ncn2)C[C@@H]1O 1506396879 HLGOKLYYLJXFGQ-RYUDHWBXSA-N 278.356 0.663 0 50 CCAA Cn1ccnc1CCN1CCN(CC2CC2)[C@H](CCO)C1 1506398507 QXWBDPPQWZPJJI-OAHLLOKOSA-N 292.427 0.741 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3nccn3C)C[C@@H]2O)on1 1529158638 HNXGIZHDUBKXLP-YPMHNXCESA-N 276.340 0.752 0 50 CCAA Cn1nc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c2c1CCCC2 215398576 BDPNLKOHXIAGJA-GWCFXTLKSA-N 293.367 0.114 0 50 CCAA CC(C)(C)OC(=O)N1CC(=O)c2c[nH]c(=N)nc2C1 514269678 BKYAQRZOEAGCDE-UHFFFAOYSA-N 264.285 0.823 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)[C@H]2CCO[C@H]2C(C)C)C1 375699757 XCAFOVFYTQCLSB-RNJOBUHISA-N 271.357 0.656 0 50 CCAA CN(Cc1ccccc1)C[C@@H](O)CN1CCC[C@@H](O)C1 229317181 IRFGNEMDWWWVJJ-HZPDHXFCSA-N 278.396 0.936 0 50 CCAA OCC1(CO)[C@H]2CN(Cc3ccn4nccc4c3)C[C@H]21 1772804151 HURDBEGXPJPRIS-OKILXGFUSA-N 273.336 0.367 0 50 CCAA Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CO)ccc12 57497 QAFWDHVUVKEUMK-JTQLQIEISA-N 262.265 0.360 0 50 CCAA in-vitro CC1(C)O[C@H]2[C@@H](O1)[C@@H]([C@H]1COC(C)(C)O1)O[C@H]2O 2015228 JWWCLCNPTZHVLF-FHNUBNKASA-N 260.286 0.375 0 50 CCAA in-vitro CCN1C[C@H](C(=O)N=c2nc[nH]n2C(C)(C)C)CC1=O 330426848 JYOVDBNUZMEVJY-SECBINFHSA-N 279.344 0.262 0 50 CCAA O=C(N=c1cns[nH]1)NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875296125 GJYNCJUSLXJEJL-HMXNZXLOSA-N 266.326 0.505 0 50 CCAA N=c1nc2c(c[nH]1)CCN(C(=O)[C@H]1CC3(CCC3)CO1)C2 1875301271 ILJSXEWQERWQDN-GFCCVEGCSA-N 288.351 0.733 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC1([C@H]2CCCO2)CC1 1875369910 PSDWQEVXHNLRNV-LLVKDONJSA-N 266.341 0.849 0 50 CCAA Cc1ccc(CNC(=O)NC[C@H]2CCCNC2)c(=O)n1C 1875320910 ZRFROWSORFYBRL-LBPRGKRZSA-N 292.383 0.493 0 50 CCAA COc1ccc(CN[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cn1 888076149 BCXGHLPELPFZHR-OUCADQQQSA-N 274.324 0.751 0 50 CCAA CN(C)CC[C@H]1CCN(c2nccnc2C(N)=O)C1 895325931 WBUDHEVFCUAHII-JTQLQIEISA-N 263.345 0.354 0 50 CCAA CC[C@H](C(=O)O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 248949545 JVRCECLMTZFIBS-TUAOUCFPSA-N 256.346 0.502 0 50 CCAA NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 20457821 SMZNKCOQPQOTQJ-UHFFFAOYSA-N 267.760 0.943 0 50 CCAA O=C(O)[C@H]1CCCCN1C(=O)c1ccc2nncn2c1 158488408 VIIVVQLLFVYUNR-SNVBAGLBSA-N 274.280 0.809 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)Cc2c(C)n[nH]c2C)C1 703741879 LHHNYPLLSYHBIB-CYBMUJFWSA-N 281.312 0.271 0 50 CCAA CN1CCCC[C@H]1C(=O)NCc1csc(N)n1 584888479 OMSWPTPPVRTZAT-VIFPVBQESA-N 254.359 0.826 0 50 CCAA O=C(NC[C@@H]1CCO[C@@H]1C(=O)O)c1ccccn1 715155899 YIGRSGCBHBHDBB-WPRPVWTQSA-N 250.254 0.301 0 50 CCAA CCc1nc(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)no1 653294995 BJDRVMZCCRYFNH-BDAKNGLRSA-N 281.312 0.792 0 50 CCAA O=C(CCn1cccn1)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 712979246 ZOIDIXDTULARJP-NRUUGDAUSA-N 263.297 0.643 0 50 CCAA CNC(=O)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F 2325708732 PCSTZCMFGVJYQQ-UHFFFAOYSA-N 287.201 0.746 0 50 CCAA CC1(C)C[C@@H](c2nc([C@H]3COCCN3)no2)CNC1=O 2325812362 XCTLPXMUIAUWLS-RKDXNWHRSA-N 280.328 0.360 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@@]2(CCNC(=O)CN2)C1 2325712163 ZSMKUFIERCGSBI-CQSZACIVSA-N 283.372 0.866 0 50 CCAA CC1=C(C(N)=O)[C@@H](c2ccccn2)N2NN=NC2=N1 71541 MSCNMIVYGDIZRK-SECBINFHSA-N 257.257 0.439 0 50 CCAA CN(C)CCOC(=O)c1ccc(S(=O)(=O)N(C)C)o1 180494 FSDSDMGLHGIUGR-UHFFFAOYSA-N 290.341 0.248 0 50 CCAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1OC 266979 RRNFALSRKZKHHJ-UHFFFAOYSA-N 287.337 0.725 0 50 CCAA Cc1nc(N2C[C@@H]3CNC(=O)[C@@H]3C2)nc2c1CCCC2 2356153948 BONRBNAWIXCUCV-CMPLNLGQSA-N 272.352 0.846 0 50 CCAA CCc1ccccc1NC(=O)C(=O)NC[C@@H](C)O 2944573 GRFCVQBJOMXGBO-SECBINFHSA-N 250.298 0.685 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C(=S)NCc1ccccc1 4866913 RCYFQLYRPLPVHD-MNOVXSKESA-N 280.349 0.581 0 50 CCAA CCCCNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 6648645 SXEVJQBALKSKEQ-LBPRGKRZSA-N 283.372 0.819 0 50 CCAA C[C@@]1(O)CCN(Cc2nnc(-c3cccnc3)o2)C[C@@H]1O 102543461 SNEYDISDXPFXMG-SMDDNHRTSA-N 290.323 0.449 0 50 CCAA CN1CCN(Cc2ncc[nH]2)C[C@@]12CCNC(=O)CC2 108035233 YJUFZLVYSMEDKN-CQSZACIVSA-N 277.372 0.196 0 50 CCAA CN(C[C@H]1CCOC1)C(=O)CCc1ccn(C)n1 342141920 YZEFDMQKWKKBFO-LLVKDONJSA-N 251.330 0.848 0 50 CCAA COCCN1CC[C@@H](C(=O)NCc2ccccn2)C1 65370784 QYTKOTSFOQYSMC-GFCCVEGCSA-N 263.341 0.666 0 50 CCAA Cn1nnnc1SCCNC(=O)[C@]1(C)CCCCO1 67895673 YZKXHWXHFPJYBH-NSHDSACASA-N 285.373 0.378 0 50 CCAA Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@]1(C)CCCO1)C2 67712759 CCTPLCIYDYNSTO-AWEZNQCLSA-N 293.323 0.572 0 50 CCAA O=C(CCC(=O)c1ccccc1)NCc1nc(=O)[nH][nH]1 216516911 SFRTXWPFDLDWJW-UHFFFAOYSA-N 274.280 0.377 0 50 CCAA NC(=O)CNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 71315108 JYOZPWCJVFLJJU-UHFFFAOYSA-N 298.306 0.023 0 50 CCAA COCCC1(C(=O)NS(=O)(=O)c2cccnc2)CC1 122088632 ARLMVMPVALCWQK-UHFFFAOYSA-N 284.337 0.703 0 50 CCAA CCc1cc(CN(C)C(=O)c2ccn3nnnc3c2)on1 71765593 FBLWEELCJPBTEW-UHFFFAOYSA-N 286.295 0.947 0 50 CCAA Cc1ccc(S(N)(=O)=O)c(C(=O)NCC2CC2)c1 131698975 AYSWCEDDRDWITA-UHFFFAOYSA-N 268.338 0.782 0 50 CCAA CC(C)[C@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)O 262109470 HQPZGMYBFGEWCH-VIFPVBQESA-N 289.309 0.522 0 50 CCAA CC(=O)N1CCCN(C(=O)c2cc(F)c[nH]2)CC1 331659418 PWICWGXLELWDFW-UHFFFAOYSA-N 253.277 0.848 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@H](CC(C)C)C(=O)O)c[nH]1 185325128 YSVYLAOWRBJIPX-SNVBAGLBSA-N 266.297 0.912 0 50 CCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CC[C@@H](N)C1 71576211 RMLDZQWCEVPYDU-HTQZYQBOSA-N 292.792 0.540 0 50 CCAA O=C(NC[C@@H]1CCN(C2CC2)C1)N1CCN2CCC[C@@H]2C1 171901551 FHDWJOWTKBNHJS-DZGCQCFKSA-N 292.427 0.960 0 50 CCAA C[C@@H](NC(=O)c1cnc(O)cn1)c1cn2ncsc2n1 223530513 MFHSDEOWEJPJAN-ZCFIWIBFSA-N 290.308 0.777 0 50 CCAA O=C(O)C[C@@H]1CCCCN1C(=O)CCCN1CCOCC1 426661261 NOVNWDVSHCTMKO-ZDUSSCGKSA-N 298.383 0.955 0 50 CCAA COC(=O)CCN(CC(=O)OC)C(=O)OC(C)(C)C 135819187 OUSXWCJHYSNEEY-UHFFFAOYSA-N 275.301 0.960 0 50 CCAA O=C(c1cncc(=O)[nH]1)N1CCCC[C@H]1CN1CCCC1 426705649 IBQPKCANKJMPAV-LBPRGKRZSA-N 290.367 0.860 0 50 CCAA CC(C)c1nccc(C(=O)NCCc2cnn[nH]2)n1 426534106 UJOCLXNURNTAQX-UHFFFAOYSA-N 260.301 0.691 0 50 CCAA O=S1(=O)COCCN1C[C@@H]1CC(c2ccccc2)=NO1 91872043 WMMJKWKKWJWRSD-LBPRGKRZSA-N 296.348 0.799 0 50 CCAA CN(C)c1ccc(C(=O)N[C@H]2CCCNC2=O)c(F)c1 295752232 ISYOIJTZCLGVLU-LBPRGKRZSA-N 279.315 0.900 0 50 CCAA Cn1cncc1C(=O)NCC1(Cn2ccnc2)CC1 534579062 QHKDJJIJIRFYBG-UHFFFAOYSA-N 259.313 0.827 0 50 CCAA CN(Cc1ccc2nonc2c1)C(=O)[C@H]1C=CCN1 534657590 XZHFRQGWZPUESK-LLVKDONJSA-N 258.281 0.709 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)NCCCO 534586399 QSKOPHMPCADFFA-VIFPVBQESA-N 255.322 0.431 0 50 CCAA CC(=O)N[C@H](CC(C)C)c1nnc2n1CCNCC2 299781379 UJGHZAQLTRBAGY-LLVKDONJSA-N 265.361 0.647 0 50 CCAA O=C(CCCn1cnnn1)NCc1cn2ccsc2n1 299795867 NNDGLHSNZZERAC-UHFFFAOYSA-N 291.340 0.479 0 50 CCAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCNCC2 299793469 HHZVBECLFARQES-JTQLQIEISA-N 264.329 0.726 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)Cc1ccc(CO)cc1 828823376 XBXWSUQPIXQBPB-UHFFFAOYSA-N 294.351 0.196 0 50 CCAA C[C@H](CNS(=O)(=O)C1CC1)NC1(C2CC2)CC1 821826819 QSQHYLSBKYICPG-SECBINFHSA-N 258.387 0.989 0 50 CCAA CN(C)C(=O)c1cncc(N2CCO[C@H](C3CC3)C2)n1 670439387 VBNLRQYWGORFKU-LBPRGKRZSA-N 276.340 0.794 0 50 CCAA O=C(CCCn1cncn1)NCCN1CCCC[C@H]1CO 670460359 IMRUFLNUWVHHBK-ZDUSSCGKSA-N 295.387 0.021 0 50 CCAA CC(=O)N1CCC[C@@H](C(=O)NC2CCOCC2)C1 685945187 MOSWQVSQNIVQLI-LLVKDONJSA-N 254.330 0.540 0 50 CCAA Cn1cnnc1CC1CCN(c2nccn3nnnc23)CC1 1338100476 JZOKKGDFBWIFQV-UHFFFAOYSA-N 299.342 0.107 0 50 CCAA C[C@]1(O)CCCN(C(=O)/C=C/c2cnc(N)nc2)C1 952982102 JSPHCKSTOQZPRH-OOPCZODUSA-N 262.313 0.445 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)CCn1c(C)cccc1=O 1565509051 RCRTVMYDLHZYJA-STQMWFEESA-N 294.351 0.467 0 50 CCAA CCc1ncnc(N(C)C[C@@H](C)C(=O)NC)c1F 271226354 XFHWJHDAKNGQHD-MRVPVSSYSA-N 254.309 0.996 0 50 CCAA COCCN1CCN(c2nc(C)cnc2C)CC1=O 273848413 JIVIQJCYJRNZSQ-UHFFFAOYSA-N 264.329 0.388 0 50 CCAA CC(=O)C1(C(=O)N2CCO[C@H](c3cnn(C)c3)C2)CC1 556557278 FMGIMVZHPNVCBJ-LBPRGKRZSA-N 277.324 0.689 0 50 CCAA C[C@@H]1CC[C@H](C(=O)O)N1C(=O)c1nc[nH]c2nccc1-2 663115986 GHJUDSPBPKPAME-VXNVDRBHSA-N 274.280 0.987 0 50 CCAA Cn1nccc1[C@@H](NC(=O)[C@H](O)C1CCCCC1)C(=O)O 647769997 SSIYXACXJPLEEG-VXGBXAGGSA-N 295.339 0.603 0 50 CCAA C[C@H](C(=O)O)N(C(=O)c1ccc(C(=O)O)cn1)C1CC1 647742127 CUOYLLFHSSDZQI-SSDOTTSWSA-N 278.264 0.858 0 50 CCAA Cn1nncc1CNC(=O)[C@H](CN)C1CCCCCC1 1615554920 NTUKETVHIPJUOH-CYBMUJFWSA-N 279.388 0.977 0 50 CCAA Cn1ccnc1CCN1CCC([C@@H](O)CO)CC1 1772703487 LOLSRLHRVUKGOD-LBPRGKRZSA-N 253.346 0.028 0 50 CCAA CCC[C@H]1C=CCN1C(=O)c1c[nH]nc1-n1cnnn1 1506399237 KZCJHBRDOVHXKP-VIFPVBQESA-N 273.300 0.566 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCCO 1857529430 YPPXQWMIRRTBMS-SFYZADRCSA-N 253.302 0.164 0 50 CCAA O=C(CN1CCO[C@@H](c2nccs2)C1)N1CCOCC1 225527952 NQFYDYMEQQWQSP-LLVKDONJSA-N 297.380 0.375 0 50 CCAA CN(C)c1nc(NC(C)(C)C)nc(SCC(N)=O)n1 12381511 AOKCWGGENNNBGR-UHFFFAOYSA-N 284.389 0.725 0 50 CCAA CC(C)C[C@H]1C(=O)N2CCN(CC3CC3)C[C@@H]2C(=O)N1C 14753682 DMPSCLCLSBJYHP-UONOGXRCSA-N 293.411 0.796 0 50 CCAA C[C@@H]1CN(c2cc(C(N)=O)c3ccccc3n2)CC(=O)N1 1857670778 YZDAHDMHGVOFLF-SECBINFHSA-N 284.319 0.658 0 50 CCAA CCc1c(C)nn(CC(=O)N2C[C@H]3[C@@H](O)C[C@H]3C2)c1C 1857691995 JVUYUWWGGICKSG-YUTCNCBUSA-N 277.368 0.902 0 50 CCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cccnc3)C[C@@H]12 1857736901 PZHBSYPUZXNSEW-MJBXVCDLSA-N 295.408 0.241 0 50 CCAA N[C@@H]1CCC[C@@H]1C(=O)N1CCN(Cc2ccon2)CC1 237910553 KXOGXUNENSWBBV-QWHCGFSZSA-N 278.356 0.446 0 50 CCAA COc1cc2c(nn1)CCN(C(=O)[C@@]13COC[C@@H]1C3)C2 952887504 QEENMVKGPFTHLU-HZMBPMFUSA-N 275.308 0.406 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@H]1CC(=O)N(Cc2ccco2)C1 1875259391 GAOTXWUBCXYQPK-JQWIXIFHSA-N 294.307 0.465 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1CC[C@@H]2C[C@]2(O)C1 1875278699 WQVJQBRAHFXAEQ-OTYXRUKQSA-N 275.308 0.657 0 50 CCAA O=C1CC2(CN1)CN(Cc1nc(C3CCC3)no1)C2 1875319781 RPCCFXUCTOEKSG-UHFFFAOYSA-N 262.313 0.659 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@](C)(COC)C1CC1 1875367522 KNSKGOPZZAZYDG-ZDUSSCGKSA-N 254.330 0.562 0 50 CCAA C[C@@H]1CC(=O)N[C@H]1C(=O)N1CCC[C@H]1c1cc[nH]n1 1875397110 LPBHICZYWGNLQV-UBHAPETDSA-N 262.313 0.598 0 50 CCAA O=C(Nc1ccnc(Cn2cccn2)c1)N1CC[C@@H]1CO 1776000125 SWDFTXNKKXBQKK-CYBMUJFWSA-N 287.323 0.925 0 50 CCAA Cn1cc(CC(=O)NCc2ccc(C(=O)O)cc2)cn1 253431335 GSLUSHVFTOIQOC-UHFFFAOYSA-N 273.292 0.977 0 50 CCAA CCc1nc(CN2CCC[C@@]2(COC)C(=O)O)no1 643879537 VGQBZVSTYGBSIA-GFCCVEGCSA-N 269.301 0.698 0 50 CCAA Cn1cc(CN2CCCN(c3nccs3)CC2)nn1 677761075 JFUQALQHQVRGCR-UHFFFAOYSA-N 278.385 0.984 0 50 CCAA CCc1nc(Cn2cc(S(C)(=O)=O)cn2)no1 901606421 DUKQSUAMAVJSPW-UHFFFAOYSA-N 256.287 0.280 0 50 CCAA CC(C)n1ncnc1CNc1cc(=O)n(C)c(O)n1 1262694453 VBRRHAMKCURDIH-UHFFFAOYSA-N 264.289 0.270 0 50 CCAA C[C@@H]1C[C@H](NC(=O)c2cccn3nccc23)C(=O)O1 879988691 HOPZWYFRLDRLAM-SCZZXKLOSA-N 259.265 0.768 0 50 CCAA CCOC(=O)c1[nH]c(=O)[nH]c1Cn1nc(C)cc1C 49325 FAEQRBHGTTVCMU-UHFFFAOYSA-N 264.285 0.741 0 50 CCAA COc1cc(=O)[nH]c(=O)n1C(=O)Cc1ccccc1 198491 XLWKRKZCLXLKAC-UHFFFAOYSA-N 260.249 0.428 0 50 CCAA Cc1cc(C(=O)NC[C@H](O)c2cccc(O)n2)cc(O)n1 2356158572 POPUDCAHDAGZSZ-NSHDSACASA-N 289.291 0.660 0 50 CCAA Cc1cccc(NS(=O)(=O)c2cnc(O)[nH]c2=O)c1C 4270276 RKJXLRDVKNAUEO-UHFFFAOYSA-N 295.320 0.893 0 50 CCAA CCOC(=O)c1cnc2nc(C(F)(F)F)nn2c1N 8558861 HGURVPKJNJVLLB-UHFFFAOYSA-N 275.190 0.902 0 50 CCAA CCOCCN1CCN(C(=O)Cc2cnn(C)c2)CC1 110917835 OVKUMZKZSWUFDM-UHFFFAOYSA-N 280.372 0.143 0 50 CCAA C[C@H](C(=O)NC(N)=O)N1CCO[C@@H](c2cccc(F)c2)C1 245405012 RKIGCJSBMNWHBK-BXKDBHETSA-N 295.314 0.782 0 50 CCAA CCN1CCC[C@@](C)(C(=O)NCc2cc(=O)[nH]cn2)C1 23310919 GUGIGNPAYVOXKM-CQSZACIVSA-N 278.356 0.508 0 50 CCAA CCc1nccn1CC(=O)NC[C@@H]1CCCN(C)C1 67819106 OYJMRMNVFYYDGL-LBPRGKRZSA-N 264.373 0.904 0 50 CCAA CCOC(=O)N1CCC(N2[C@H]3CC[C@@H]2CC(=O)NC3)CC1 65527484 FLOVPZCQXHXFFN-OLZOCXBDSA-N 295.383 0.960 0 50 CCAA CCn1cnnc1CN(C)C(=O)Cc1ccccn1 67642612 SQSQWXPGSIAXGM-UHFFFAOYSA-N 259.313 0.894 0 50 CCAA O=C1C[C@H](C(=O)N2CCCCO2)CN1Cc1ccccn1 20149214 CXMUWUHPDJJLGV-LBPRGKRZSA-N 289.335 0.984 0 50 CCAA Cc1cccc(Cn2c(Cc3nnn[nH]3)n[nH]c2=O)c1 65432895 OVCMGMFNYNDMQH-UHFFFAOYSA-N 271.284 0.032 0 50 CCAA COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ncnn1C 230244759 QIKMVEZPALINSQ-FOGDFJRCSA-N 264.329 0.589 0 50 CCAA O[C@]1(CNCCCn2nccc2C2CC2)CCCNC1 72456571 MFAYZGDSWLVJEU-OAHLLOKOSA-N 278.400 0.855 0 50 CCAA CN1CC[C@@H](NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1=O 517192280 HIKLRUJKGHSWLN-SNVBAGLBSA-N 287.323 0.376 0 50 CCAA CN(CC(=N)O)C[C@H]1CN(C(=O)c2ccco2)CCO1 331243505 OIOSCTAHVHQRTK-JTQLQIEISA-N 281.312 0.588 0 50 CCAA O=C1N[C@H](C(=O)NCCSC(F)(F)F)CO1 283178763 XVFZUTPWVBMCLR-BYPYZUCNSA-N 258.221 0.464 0 50 CCAA CNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 229845546 NPNBRDAWKZSZPO-UEWQFTGXSA-N 287.312 0.129 0 50 CCAA biogenic Cc1ccn2ncc(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)c2n1 176795812 BHRUMYBNKGNRLE-JTQLQIEISA-N 299.334 0.531 0 50 CCAA CN1CCCN([C@H]2CCOC2)CC12CCNCC2 426546290 WZZXKFWXSJSRPL-ZDUSSCGKSA-N 253.390 0.535 0 50 CCAA Cn1ncnc1CCNC(=O)[C@H](O)c1ccccc1Cl 221209138 XKSSACRRYWNJGM-GFCCVEGCSA-N 294.742 0.861 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)c2nc[nH]c3nccc2-3)[C@H]1OC 613514101 PNSCRBYGKGJGHM-HOSYDEDBSA-N 290.323 0.832 0 50 CCAA O=C(NCc1ccc2nonc2c1)[C@H]1CCS(=O)(=O)C1 426623249 PMHITLUZFZPIBB-VIFPVBQESA-N 295.320 0.274 0 50 CCAA CCc1cnc(N)nc1N1CCC(N2CCOCC2)CC1 92061994 AUCXXCFSHSCRGR-UHFFFAOYSA-N 291.399 0.922 0 50 CCAA Cc1cnn(CCCN2CCOCS2(=O)=O)c1 92022124 TUGFXMIKTZACRN-UHFFFAOYSA-N 259.331 0.201 0 50 CCAA CC1(C)CN(C(=O)CCn2cncn2)C[C@]1(C)O 91645842 VKAGOKDXMIYQQZ-LBPRGKRZSA-N 252.318 0.288 0 50 CCAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N)[C@@H]1N 230096570 AIOJNMKYPYMIQY-GUDWOMEESA-N 280.324 0.127 0 50 CCAA C[C@@H](C(N)=O)N1CCN(c2ccccc2Cl)C(=O)C1 91603356 BGRTVQRRNINXIX-VIFPVBQESA-N 281.743 0.862 0 50 CCAA CO[C@@H]1CCN(CC(=O)Nc2cn(C)nc2C)C1 244602028 DWHJOGBMPUGETQ-SNVBAGLBSA-N 252.318 0.388 0 50 CCAA O=C(NC[C@H](O)c1ccccc1F)[C@@]1(F)CCNC1 299739259 MLWQHTQGDQLVQJ-WCQYABFASA-N 270.279 0.677 0 50 CCAA CN(Cc1cnc2ccccn12)C(=O)C[C@H]1CNCCO1 299781253 DKOBSRGHIMUWKN-ZDUSSCGKSA-N 288.351 0.671 0 50 CCAA CCN1C[C@H](CN(C)C(=O)c2ccc(O)cn2)CC1=O 299777805 OFZTZAMGDWRXPK-JTQLQIEISA-N 277.324 0.728 0 50 CCAA COCCOCCN1CC[C@H]2[C@H](C1)OCc1cnnn12 299777734 FOEJULGUBBPKGE-STQMWFEESA-N 282.344 0.087 0 50 CCAA CCN1CCC(CN[C@H](C)CCO)(N(C)C)CC1 828741529 KTFFBYFSCXMIGO-CYBMUJFWSA-N 257.422 0.763 0 50 CCAA CCc1noc(C(=O)N2CCN(C(=O)C3CC3)CC2)n1 902612089 OBAFMZOLCNJYHF-UHFFFAOYSA-N 278.312 0.326 0 50 CCAA CCC1=NO[C@@H](C(=O)N(C)CCCN2CCOCC2)C1 584886100 MRISSKOAMVPKRQ-CYBMUJFWSA-N 283.372 0.722 0 50 CCAA N[C@H]1CN(C(=O)NCC2CCOCC2)CC12CCC2 1553445096 NEKPDEBBNAZOLB-LBPRGKRZSA-N 267.373 0.936 0 50 CCAA O=C(O)Cn1cnc(-c2ccc3c(c2)OCCO3)n1 71587290 VQXIPFNURZAHJI-UHFFFAOYSA-N 261.237 0.801 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)c1cncc(F)c1 1565527941 YBKXRYHKWLUHKG-QWRGUYRKSA-N 254.261 0.754 0 50 CCAA CNC(=O)c1cc(C)ccc1NS(=O)(=O)N1CCC1 408066930 GURHNFLOFGMJTH-UHFFFAOYSA-N 283.353 0.717 0 50 CCAA Cn1cc(N2CC[C@@H](N3CC[C@H](O)C(C)(C)C3)C2=O)cn1 275401664 DUZWNYKMDZCYSG-OLZOCXBDSA-N 292.383 0.618 0 50 CCAA C[C@@H]1CN(c2ncccn2)CCN1CC(C)(C)O 275593976 RNNDJKWSVUIILJ-LLVKDONJSA-N 250.346 0.758 0 50 CCAA CC[C@H](C)N1CCN(c2nc(O)c3c[nH]nc3n2)CC1 580402526 PUMDECSTELDNCQ-VIFPVBQESA-N 276.344 0.979 0 50 CCAA CCO[C@@H]1C[C@](O)(CNC(=O)c2ccon2)C1(C)C 191734972 MHCHAIQCQHSLTR-MFKMUULPSA-N 268.313 0.971 0 50 CCAA c1nc2cncc(N3CCO[C@]4(CCCOC4)C3)n2n1 672319083 PZNFUJXUKJCVSN-CYBMUJFWSA-N 275.312 0.510 0 50 CCAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@@H]1C[C@H]1C(=O)O 647736865 PBRAODFXHDLRMZ-CHHOWFRJSA-N 253.298 0.637 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1CCCc2n[nH]cc2C1 585010167 IITIOHXQUKZHCE-UHFFFAOYSA-N 297.123 0.216 0 50 CCAA CCCCNC(=O)[C@@H](C)N1CC(S(C)(=O)=O)C1 585116089 HDXYDIOGPGRDQW-SECBINFHSA-N 262.375 0.020 0 50 CCAA C[C@@H](N)[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1 195542211 PHPPCKGHEXQWDO-MFKMUULPSA-N 266.316 0.943 0 50 CCAA CCOC(=O)[C@H](Cc1ccccc1)[N@@]1C[C@H]1C(N)=O 1857666467 HLOLXTJETWRSPL-MQIPJXDCSA-N 262.309 0.330 0 50 CCAA Cc1cccnc1C(=O)N1CC[C@]2(CN(C)CCO2)C1 1857693987 VYZCLLKQBHOABQ-HNNXBMFYSA-N 275.352 0.937 0 50 CCAA CCNC(=O)[C@H]1CCN(CC(=O)Nc2cn(C)nc2C)C1 1506408234 WIDDBEFJYKKUIG-NSHDSACASA-N 293.371 0.125 0 50 CCAA Cc1nn(C)cc1NC(=O)CN1CC[C@@H](C(=O)O)C1 1529181844 QFYLQIJFJMEKEC-SECBINFHSA-N 266.301 0.074 0 50 CCAA COCCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 2993934 ZEGLLDLMFJMQLV-UHFFFAOYSA-N 266.253 0.116 0 50 CCAA CCn1ncnc1CN1C[C@@H](COC)OC(C)(C)C1 330531447 NIUQDWZRCHGKST-NSHDSACASA-N 268.361 0.924 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)CCC1CCNCC1 113221818 ZHSAIMVSIDQTSY-GFCCVEGCSA-N 267.373 0.503 0 50 CCAA Cc1noc(C)c1CCNC(=O)C1(C(=O)O)CC1 154872301 QIUUNDVADTVTHP-UHFFFAOYSA-N 252.270 0.815 0 50 CCAA COCC[C@@H]1COCCN1Cc1nnc(C2CC2)n1C 368286033 CDUIDAYMSIPECD-GFCCVEGCSA-N 280.372 0.930 0 50 CCAA CN1CCN(CC[C@H]2COCCO2)CC12CCNCC2 1775984151 ZYCWSKYHNHZULC-AWEZNQCLSA-N 283.416 0.162 0 50 CCAA CCO[C@]1(c2nnc3n2C[C@H](C(=O)OC)CC3)CCOC1 601043773 BHQDARCUFWDHBI-QMTHXVAHSA-N 295.339 0.666 0 50 CCAA N=c1nc(O)cc([C@H]2CCN(C(=O)C3CC=CC3)C2)[nH]1 630722934 LZTSMWDWCRDWOZ-JTQLQIEISA-N 274.324 0.877 0 50 CCAA O=C(CO)NC[C@H]1CCCc2ccc(C(=O)O)cc21 909951990 UHTGEAKGTSDHQY-LLVKDONJSA-N 263.293 0.913 0 50 CCAA CCNc1cc(CNC(=O)N=c2nc[nH]n2C)ccn1 930511370 ZXACLHMUUFYDFB-UHFFFAOYSA-N 275.316 0.386 0 50 CCAA Cn1ncnc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 1875282204 RFTQAOOOFHHWAE-LLVKDONJSA-N 299.334 0.630 0 50 CCAA O=C(NC[C@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O)Nc1nccs1 1875305568 FKMUEFXJICDNFV-GRDBIXFFSA-N 283.353 0.642 0 50 CCAA O=C(Cc1cc(O)nc(O)n1)NC[C@@H]1C[C@@H](O)C12CCC2 1875304706 RKAQUIVIWOAKJM-WCBMZHEXSA-N 293.323 0.098 0 50 CCAA CCN1CCC[C@H]1CNC(=O)CNc1ncccn1 1875339120 AABCWGDYVLGLMD-NSHDSACASA-N 263.345 0.489 0 50 CCAA C1C[C@H](N2CC(OCc3nc(C4CC4)no3)C2)CO1 888078296 HDHLKLFWNMXSSF-JTQLQIEISA-N 265.313 0.937 0 50 CCAA C[C@H]1CC[C@H](C)N1CCN1CCN([C@H](C)C(=O)O)CC1 237609368 HFEOPDDZJAJPQW-MELADBBJSA-N 283.416 0.950 0 50 CCAA O=S(=O)(c1cncc(F)c1)N1CC[C@H]2CNC[C@@H]2C1 261608316 RVDCAIGAQXLOMI-VHSXEESVSA-N 285.344 0.451 0 50 CCAA C[C@]1(C(=O)NCC2(CO)CCOCC2)CCCCO1 534584154 HJDLPGXPMXXGDN-CYBMUJFWSA-N 271.357 0.851 0 50 CCAA COc1ccnc(C(=O)N[C@H](C)[C@@H](C)C(=O)O)c1 648336294 IBDNYPQXKUBFOI-HTQZYQBOSA-N 252.270 0.929 0 50 CCAA COCc1noc(CN2CCO[C@@H](C3CC3)C2)n1 363770860 CFWKDTGJWWAGJU-SNVBAGLBSA-N 253.302 0.827 0 50 CCAA O=C(OCc1ccccc1)N1CC(NCCCO)C1 864087290 RJYXZARXZQISIO-UHFFFAOYSA-N 264.325 0.979 0 50 CCAA CCN(CC(F)F)C(=O)[C@@H]1CC[C@H](C(=O)O)NC1 2325756224 WWMNGKOEPKUTKI-HTQZYQBOSA-N 264.272 0.553 0 50 CCAA N[C@@H]1C=C[C@H](CC(=O)NCCCN=c2nccc[nH]2)C1 2325797680 MKFDMHRAHRQGDZ-NWDGAFQWSA-N 275.356 0.110 0 50 CCAA Cc1csc(NC(=O)CSc2nnnn2C)n1 4735866 FHXXLLQSYVXBIR-UHFFFAOYSA-N 270.343 0.706 0 50 CCAA O=C(NCCCn1ccccc1=O)[C@@H]1CCCO1 57589042 SOXHHPPCOUYBJH-NSHDSACASA-N 250.298 0.534 0 50 CCAA Cn1c(=O)[nH]c(=O)c2c1nc(S)n2Cc1ccccc1 100504606 PVYIYJBOOYMALO-UHFFFAOYSA-N 288.332 0.760 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1cc(C(C)C)on1 65386257 UXHPKHHKOCNBMZ-GXSJLCMTSA-N 296.323 0.937 0 50 CCAA Cc1c(CN2CCN(C)[C@@H](CCO)C2)cnn1C 23358532 HKVBWBKRVWISCZ-ZDUSSCGKSA-N 252.362 0.227 0 50 CCAA CCN(CCO)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 170196016 VZCYXVDXSKDTRR-SNVBAGLBSA-N 256.346 0.474 0 50 CCAA O=C(NCc1cccc(F)c1)N[C@@H]1CCOC[C@H]1O 219209023 OFBMAQCRMHYTNO-VXGBXAGGSA-N 268.288 0.775 0 50 CCAA CCn1nc(C)c(C(=O)N2CCC[C@](O)(CO)CC2)c1C 72154354 QTZDZKRSCROVIJ-OAHLLOKOSA-N 295.383 0.869 0 50 CCAA COC1(CC(=O)N2CCO[C@@H](CC(=O)O)C2)CCC1 234579985 XQQIZDKXLCPHKF-JTQLQIEISA-N 271.313 0.648 0 50 CCAA CC(C)(C)c1nnnn1C[C@H]1CCCS(=O)(=O)C1 328816787 CXPVRGRPUHVTAG-SECBINFHSA-N 272.374 0.795 0 50 CCAA CCCCOC[C@@H]1C[C@]2(SC(N)=NC2=O)C(=O)O1 32498115 RHCXEJOXBSSRKO-WRWORJQWSA-N 272.326 0.446 0 50 CCAA CN(C)S(=O)(=O)NCc1cc(=O)[nH]c2ccccc12 158047993 VNANAFSMZBJQFZ-UHFFFAOYSA-N 281.337 0.424 0 50 CCAA CCN1CCOC[C@@H]1C(=O)N1CCCc2n[nH]cc21 363752002 OIELOQICLQHHRJ-GFCCVEGCSA-N 264.329 0.410 0 50 CCAA CCS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](C)C2)cc1 155213604 UFIJZWBSIANEIN-NSHDSACASA-N 296.392 0.914 0 50 CCAA COc1ccc([C@@H](O)C(=O)NCC2(C)COC2)cc1 217361727 RELBYEQGRMYKOL-GFCCVEGCSA-N 265.309 0.881 0 50 CCAA Cc1cc(CN(C)C(=O)CSc2nncn2C)on1 215597688 BDIHJFXKCKPMSD-UHFFFAOYSA-N 281.341 0.862 0 50 CCAA O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)[C@]1(O)CCOC1 334112971 DPPBSGHRZUOFOQ-COMQUAJESA-N 259.305 0.592 0 50 CCAA CN(C)c1ccc(CN2CCN(C)[C@@H](CO)C2)cn1 216385311 JLYJJTWUXODRRS-CYBMUJFWSA-N 264.373 0.256 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCC[C@@](O)(Cn2ccnn2)C1 284480074 AVDUFLOJENXFSU-AWEZNQCLSA-N 289.339 0.582 0 50 CCAA Cn1nnnc1SCCNC(=O)CSCC1CC1 223958656 VHFOXVWGNLVATK-UHFFFAOYSA-N 287.414 0.562 0 50 CCAA CN(Cc1cnccn1)C(=O)NCCc1cnn(C)c1 426359141 XGYPUVZLFCCENX-UHFFFAOYSA-N 274.328 0.594 0 50 CCAA CN1C[C@@H](NC(=O)CCC(F)(F)F)C[C@H]1C(=O)O 426470596 KIEUJCPOQYTRAN-BQBZGAKWSA-N 268.235 0.602 0 50 CCAA CN1C[C@@H](NC(=O)C2Cc3ccccc3C2)C[C@H]1C(=O)O 426477833 CTNULHDGUKKPJV-KBPBESRZSA-N 288.347 0.675 0 50 CCAA Cc1c(NS(=O)(=O)C[C@H]2CCCO2)cnn1C 176976140 IPULJMUYXHLNBZ-SECBINFHSA-N 259.331 0.649 0 50 CCAA CC(=O)c1cc(C(=O)N2CCS(=O)(=O)CC2)cs1 96163252 GBUGYFHZGCJBIU-UHFFFAOYSA-N 287.362 0.821 0 50 CCAA O=C(O)c1cncnc1NCCCN1CCCC[C@H]1CO 95371463 QUDDHIYCXKVZFT-NSHDSACASA-N 294.355 0.824 0 50 CCAA CO[C@H]1C[C@@H](O)C12CCN(c1nccc(N)n1)CC2 91468243 CPOOKFWEWXNQFG-ZJUUUORDSA-N 264.329 0.425 0 50 CCAA COCC(=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 240517144 NVMCDQPNYBUOSG-CWSCBRNRSA-N 250.298 0.656 0 50 CCAA C[C@]1(c2ccccc2)CN(C(=O)[C@H]2COCCN2)CCO1 299740238 XJYJWZMGIOJTNL-GDBMZVCRSA-N 290.363 0.749 0 50 CCAA CO[C@@H]1CCN(S(=O)(=O)c2c(C)noc2C)C1 362108063 ZDZJGNAXDOHHMJ-SECBINFHSA-N 260.315 0.701 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)C(=O)C(C)(C)C 299800443 SLJZHNWKLBZBGA-SECBINFHSA-N 282.344 0.717 0 50 CCAA COCCCn1cnnc1CNC(=O)[C@H]1CCCCN1C 299774336 GRELFKXEXOGPHV-GFCCVEGCSA-N 295.387 0.415 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)CCn1cncn1 822619935 OIQGIMNBNQSELV-LLVKDONJSA-N 262.317 0.460 0 50 CCAA Cn1ccnc1[C@@H](NC(CO)CO)c1ccccc1 670438866 AWVQITDERZSMST-ZDUSSCGKSA-N 261.325 0.452 0 50 CCAA Cc1n[nH]cc1CN(C)C(=O)[C@H](C)N1CCCC1=O 584899174 JECZJLCZVDIRHI-JTQLQIEISA-N 264.329 0.687 0 50 CCAA Cc1nc([C@H](C)NC(=O)c2cnn3ccn(C)c23)n[nH]1 670435498 WVSLNJCIZHBEQA-ZETCQYMHSA-N 273.300 0.590 0 50 CCAA Cn1c(O)nnc1CCNC(=O)c1ccc2c(c1)CCC2 670472381 BHJMKMMCQZLNCF-UHFFFAOYSA-N 286.335 0.982 0 50 CCAA O=C(CC1CCNCC1)N1CCO[C@H]([C@@H]2CCCO2)C1 238131284 SKBXTGQZYYEIRL-KBPBESRZSA-N 282.384 0.783 0 50 CCAA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2ccnn2C)CC1 952975447 IUKQMSQRRKWYQB-XYPYZODXSA-N 278.356 0.702 0 50 CCAA Cn1ncc(Cl)c1C(=O)N1CC[C@H]([C@@H](F)C(=O)O)C1 1548598408 DEPOAWFJJKHFMQ-POYBYMJQSA-N 289.694 0.958 0 50 CCAA NS(=O)(=O)c1cccc(F)c1N1C[C@@H]2[C@@H](CO)[C@@H]2C1 631280081 DEJMHNFGRWMGGQ-BRPSZJMVSA-N 286.328 0.148 0 50 CCAA Cc1cc(N2CCNC(=O)[C@@H]2CC(C)C)n2ncnc2n1 275461657 MTQYFBKHYVUKKN-NSHDSACASA-N 288.355 0.784 0 50 CCAA O=C(C1[C@@H]2CCC[C@@H]12)N1CCC[C@H](N2CCNCC2=O)C1 186687810 RHNHCEXFJPPGHG-YNEHKIRRSA-N 291.395 0.455 0 50 CCAA COCC1=CCN(C(=O)CN2CCCC[C@@H](O)C2=O)CC1 644437356 VOPGZFBQWNCOHU-CYBMUJFWSA-N 296.367 0.165 0 50 CCAA CN1CCO[C@@H](CNCc2ccnn2-c2ccccn2)C1 647180233 OJIXLZMICFEVRF-AWEZNQCLSA-N 287.367 0.688 0 50 CCAA C[C@H]1COCCN1CCN(C)C1(CO)CCOCC1 192821660 KGPCGOXMIRDJST-ZDUSSCGKSA-N 272.389 0.180 0 50 CCAA CS(=O)(=O)c1nccn1Cc1cnn(CCF)c1 901497382 SGKKSTQKUAMDSF-UHFFFAOYSA-N 272.305 0.501 0 50 CCAA COCCN1CC[C@H](CNc2ccc(C(N)=O)cn2)C1 1506396253 FGKUMDUJKJSJKX-LLVKDONJSA-N 278.356 0.561 0 50 CCAA Cc1cc(=O)c(O)c(C(C)(C)CC(=O)NC[C@@H](C)O)o1 1857526598 NUUPBHYEDXTXNC-MRVPVSSYSA-N 283.324 0.819 0 50 CCAA CN1CCN(C(=O)C[C@H]2CC2(F)F)CC12CCNCC2 1857684672 XOZJNXIQVCIPDD-NSHDSACASA-N 287.354 0.928 0 50 CCAA O[C@@H]1CN(Cc2cnc[nH]2)C[C@H]1Cc1cnccn1 1529168047 WJPKZWHQBVERDJ-ZWNOBZJWSA-N 259.313 0.235 0 50 CCAA NC(=O)[C@@]1(O)CCCN(Cc2ccc(F)cc2F)C1 225476851 JOXPHZWBEIVGTC-CYBMUJFWSA-N 270.279 0.777 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1ncc(C)[nH]1 628320567 RPQRMTVDRLRNCG-ZDUSSCGKSA-N 266.345 0.445 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CCOC[C@H]1CC(=O)O 128229541 DZIIFXSRXZFWLV-SECBINFHSA-N 286.715 0.994 0 50 CCAA CN(C)C/C=C/C(=O)NCC[C@H]1CC(C)(C)NC1=O 1875377061 QZTQBLWXUXGLFC-QRGHLMKCSA-N 267.373 0.525 0 50 CCAA C[C@@H]1CCCCN1CCN(C)c1nnc(CCN)o1 1772811670 XDWXFNLJKGOANE-LLVKDONJSA-N 267.377 0.881 0 50 CCAA CN1CCCN(CC(=O)N2CCC[C@@H](C3(O)CC3)C2)CC1 1772811860 ZMKFRKFQYMNTJY-CQSZACIVSA-N 295.427 0.387 0 50 CCAA CNC(=O)c1ccc(N2C[C@H]3CCCN3C(=O)[C@@H]2C)nn1 1772708369 GLSMKFXNTGBMEP-VHSXEESVSA-N 289.339 0.036 0 50 CCAA CNC(=O)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772813498 DHOXPZXTQIYHOH-VIFPVBQESA-N 281.381 0.831 0 50 CCAA Cn1ccnc1C(=O)N=c1[nH][nH]cc1-c1ccccn1 1875247544 JKBJHGZUTCLMQB-UHFFFAOYSA-N 268.280 0.879 0 50 CCAA O=C(c1ccoc1Cl)N1CC[C@@](O)(Cn2ccnn2)C1 671499802 NKLAKWMWGZMQSY-LBPRGKRZSA-N 296.714 0.802 0 50 CCAA O=C(O)[C@H]1C[C@@H]1C(=O)N1CCC(OC2CCOCC2)CC1 360571673 FZWXCCPWDUZZPX-STQMWFEESA-N 297.351 0.894 0 50 CCAA O=C(O)[C@@H](Cc1ccncc1)NC(=O)[C@H]1CCCO1 257721008 VMVFUKHRNGXFER-GHMZBOCLSA-N 264.281 0.373 0 50 CCAA CN(C)c1ncnc2c1ncn2CCO[C@@H]1CCOC1 916832382 PLQRXZSNVFCIBJ-SNVBAGLBSA-N 277.328 0.698 0 50 CCAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc[nH]n2)cn1 818601226 QTQKITOAWCCOKQ-NWDGAFQWSA-N 291.311 0.202 0 50 CCAA CCOc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2O)[nH]n1 1262152406 RTLMIKFLWJJKLV-NXEZZACHSA-N 253.302 0.794 0 50 CCAA CC[C@@H](NC(=O)c1cnn2c1NCC2)c1noc(C)n1 1875277049 AOJQKDJMYLAEEO-SECBINFHSA-N 276.300 0.881 0 50 CCAA CS(=O)(=O)NC(=O)[C@@]12CC[C@@H](CC1(F)F)C2 1875309903 UOIXBLMCIHKYJQ-SVRRBLITSA-N 253.270 0.888 0 50 CCAA CNC(=O)N1CCCC[C@H]1CCNC(=O)/C=C/CN(C)C 1875374404 OMNYAEGLBYGYCN-CFNZNRNTSA-N 296.415 0.804 0 50 CCAA COc1cccnc1N(C)C(=O)N1CCOCC1 1875316644 DTKWRYIMEBVTAT-UHFFFAOYSA-N 251.286 0.979 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@H]1CCC[C@@H]1N 237135449 UKHJXKIWASVPMP-QWRGUYRKSA-N 253.346 0.195 0 50 CCAA O=C(N[C@H]1COC[C@H]1O)c1ccc(-c2cn[nH]c2)cc1 1772453491 AZPRCRLVBMQKFT-QWHCGFSZSA-N 273.292 0.566 0 50 CCAA Cc1nnc(CN[C@@H]2CC(=O)N(CC3CC3)C2)s1 716815357 RLRAWNRXWILRFH-SNVBAGLBSA-N 266.370 0.947 0 50 CCAA N[C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)C1CC1 903550766 MHPTVCCXIYSQTC-VXGBXAGGSA-N 252.339 0.693 0 50 CCAA COc1ccc(C(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1 206383 QZIUVWAABOROOJ-UHFFFAOYSA-N 288.303 0.632 0 50 CCAA Cn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2 417344 YUNZOPMWNPWBBG-UHFFFAOYSA-N 293.308 0.670 0 50 CCAA CCOc1ccc(N(CC(N)=O)S(C)(=O)=O)cc1 450008 PFALWTMTJZXQJZ-UHFFFAOYSA-N 272.326 0.337 0 50 CCAA CN1CC[C@H](O)[C@@]2(CCCN(C(=O)c3ccnnc3)C2)C1 2356154565 AJFDXIGLKLFITQ-ZFWWWQNUSA-N 290.367 0.395 0 50 CCAA Cc1cccc(C)c1NC(=O)C(=O)NCCCO 2993677 RQXZMEBKTUGCPT-UHFFFAOYSA-N 250.298 0.741 0 50 CCAA Cn1cccc1C(=O)NC[C@@H]1CN(C2CC2)CCO1 114854562 LMGKILQCHGQQCJ-GFCCVEGCSA-N 263.341 0.618 0 50 CCAA CCOC(=O)C(=CNCCC(=O)O)C(=O)OCC 100582169 QCJAJMWFPNFNJB-UHFFFAOYSA-N 259.258 0.061 0 50 CCAA Cc1cc(C)n(CCNC(=O)c2ncc[nH]2)c(=O)n1 67982211 GRROJYWXOQEJDF-UHFFFAOYSA-N 261.285 0.013 0 50 CCAA O=C1CN2CSC[C@H]2C(=O)N1Cc1ccccc1 22341766 HXTHJOYMJYEVLK-NSHDSACASA-N 262.334 0.930 0 50 CCAA C[C@@H](c1nnnn1C)N1CCC[C@H]1c1cnn(C)c1 249495568 VZXTXTUFLGOHFP-ONGXEEELSA-N 261.333 0.842 0 50 CCAA CC(C)CNC(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O 409413207 DYSUKIMGBPPJBV-LLVKDONJSA-N 293.323 0.862 0 50 CCAA CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3 32350 VDUWPHTZYNWKRN-UHFFFAOYSA-N 262.221 0.843 0 50 CCAA biogenic,world CN1CC[C@@H](n2cnc3cc(F)ccc3c2=O)C1=O 32513812 MOTNNMQCZQKVPR-LLVKDONJSA-N 261.256 0.939 0 50 CCAA CC(C)Cc1cc(CN2CCOC[C@H]2CO)[nH]n1 216090250 ULEQEGWWQJNDMK-CYBMUJFWSA-N 253.346 0.801 0 50 CCAA CCCN1CC(=O)N([C@@H]2CCc3nc[nH]c3C2)C1=O 336025210 YWXFUKGEXDPPIR-SECBINFHSA-N 262.313 0.941 0 50 CCAA O=S(=O)(C1COC1)N1CC[C@@H](O)C12CCCC2 330359407 VZDKEQDDVVBLHW-SNVBAGLBSA-N 261.343 0.094 0 50 CCAA CC[C@H](CO)NS(=O)(=O)c1ccc(OC)c(OC)c1 35610228 GCHBMZSWEKZKKZ-SECBINFHSA-N 289.353 0.753 0 50 CCAA Cc1[nH]c2ccccc2c1CC(=O)NC[C@@]1(O)CCNC1 72166044 IHFSOJICYAOQLQ-MRXNPFEDSA-N 287.363 0.859 0 50 CCAA CC(C)CCN1C[C@H](C(=O)N2CCOCC2)CC1=O 35959874 UPFMDKYQVONNCY-GFCCVEGCSA-N 268.357 0.740 0 50 CCAA CN1CCCNC(=O)C12CCN(Cc1cscn1)CC2 215427034 LNOAJJASGKJYGR-UHFFFAOYSA-N 294.424 0.929 0 50 CCAA O=C(c1cnc[nH]c1=O)N1CCO[C@H](C(F)(F)F)C1 71759231 GAWWQRWMPZXTAK-ZETCQYMHSA-N 277.202 0.173 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2ccc3nonc3c2)C[C@H]1O 72407579 HRQBCSRLRNXMFM-TZMCWYRMSA-N 291.307 0.571 0 50 CCAA CO[C@H]1CCCN(C(=O)NCc2ccc(C(N)=O)o2)C1 176640271 VUMMUGKRRPRBCR-JTQLQIEISA-N 281.312 0.699 0 50 CCAA COCCn1cncc1CNC(=O)c1cccnc1O 220030224 YQKGPFZEPLQVGP-UHFFFAOYSA-N 276.296 0.560 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)COc2c(C)nn(C)c2C)C1 284792599 JUEHJWISPOGFSS-NWDGAFQWSA-N 297.355 0.024 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(N(C)C)ccn2)C1 284849663 OVYKYKPYVMDHEZ-NWDGAFQWSA-N 279.340 0.369 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)Cc2ccccc2)C1 285269818 YYMNBFSJDNMRNM-RYUDHWBXSA-N 298.364 0.091 0 50 CCAA CCCn1cc(CNC(=O)c2cnc(O)cn2)cn1 223654405 JVLYBRCNPNEQIO-UHFFFAOYSA-N 261.285 0.719 0 50 CCAA C[C@H]1CC[C@H](CCC(=O)Nc2cnn(CC(N)=O)c2)O1 175463525 IIHIXSCOPHAFAU-GXSJLCMTSA-N 280.328 0.655 0 50 CCAA O=C(c1cnn2ccccc12)N1CCC[C@@H](OCCO)C1 332008577 RWJWRUBHHNIJJM-GFCCVEGCSA-N 289.335 0.948 0 50 CCAA CN1CCC[C@]2(CCCN(C(=O)Cn3ccnn3)C2)C1 426658218 KWNWEJPATYFMQH-AWEZNQCLSA-N 277.372 0.613 0 50 CCAA O=C(CCc1cccnc1)NCCN1CCCOC1=O 222298787 MCYYZFQZPXSIMO-UHFFFAOYSA-N 277.324 0.973 0 50 CCAA Cc1nc([C@H](C)NC(=O)CN(C)CCO)cs1 426435447 SJIQGYSURHODRV-QMMMGPOBSA-N 257.359 0.553 0 50 CCAA O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cnc2n1CCOC2 612658519 IVPUJBSVPDFVNU-ZFWWWQNUSA-N 299.330 0.801 0 50 CCAA CN(C)c1ccc(C(=O)N[C@H]2C=CS(=O)(=O)C2)cn1 97655515 OGCJTROPOZRXIO-JTQLQIEISA-N 281.337 0.188 0 50 CCAA CC(C)(C)N1C[C@@H](C(=O)NCc2ccon2)CC1=O 91829962 CLUGWAINVSPTGG-VIFPVBQESA-N 265.313 0.938 0 50 CCAA CC(=O)N1CCN(Cc2ccc(CCN)cc2)C[C@H](O)C1 91595572 WOBHSBQYBVNWRY-INIZCTEOSA-N 291.395 0.213 0 50 CCAA O=C1CC[C@H](C(=O)NCCCc2ccco2)NC(=O)N1 97805699 BILPUZUESKXVRO-SNVBAGLBSA-N 279.296 0.317 0 50 CCAA CN(C)[C@H](C(=O)NCCCO)c1ccccc1F 95373132 AOAGJNXZQBSRRP-LBPRGKRZSA-N 254.305 0.927 0 50 CCAA CN1C(=O)C[C@@H](C(=O)NCCc2nccn2C)C1(C)C 244718986 LUQVNGHMMYSDNM-JTQLQIEISA-N 278.356 0.336 0 50 CCAA O[C@H]1C[C@@H](c2cc(NCCN3CCOCC3)ncn2)C1 244873524 WRQNVOSQHNCSKN-TXEJJXNPSA-N 278.356 0.459 0 50 CCAA CN1CCO[C@@H](CNC(=O)c2nc3ncccc3[nH]2)C1 534592706 OWWSHGJRCGWJSU-VIFPVBQESA-N 275.312 0.018 0 50 CCAA CC1(C)SC[C@@H](C(=O)NCc2cc[nH]n2)NC1=O 534670161 UOIWXHMMYVCFMS-QMMMGPOBSA-N 268.342 0.036 0 50 CCAA COCC(C)(C)NS(=O)(=O)c1cc(C(N)=O)cs1 534642478 BQANUBVUBWIFGM-UHFFFAOYSA-N 292.382 0.550 0 50 CCAA Cc1cc(C)n(CCNC(=O)Nc2cnns2)c(=O)n1 299791575 GRVLRTAWGBYUBW-UHFFFAOYSA-N 294.340 0.533 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CC[C@](C)(O)[C@@H](O)C1 96163407 KOMZPCGEBGUPIR-JQWIXIFHSA-N 272.732 0.636 0 50 CCAA Cc1csc(CN(C)C(=O)CCCn2cnnn2)n1 584900009 RKFJZGQSFYAOIU-UHFFFAOYSA-N 280.357 0.877 0 50 CCAA COc1nc(N2CCC(N(C)CCO)CC2)ncc1F 670461654 BHYGSLIDUJSVLD-UHFFFAOYSA-N 284.335 0.517 0 50 CCAA CN1[C@H]2CC[C@H]1CC(O)([C@H](N)C1CCOCC1)C2 958528016 MHEJSKFCVCFTIM-RWMBFGLXSA-N 254.374 0.728 0 50 CCAA Cn1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)nc1O 1361695370 WSGFRFLBUYXDGB-SSDOTTSWSA-N 292.261 0.492 0 50 CCAA C[C@@H](OCC(F)(F)F)C(=O)N1CCO[C@H](C(=O)O)C1 408513456 NGFBCUBLQXKZPU-RQJHMYQMSA-N 285.218 0.266 0 50 CCAA CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(OC)nc2)C1 271392893 VRLAFMHFUDKVIT-GFCCVEGCSA-N 299.396 0.604 0 50 CCAA O=C(c1c[nH]c2ncccc12)N1CC[C@@H](CO)[C@H](O)C1 546696880 ZJQNPMUGSKMEKJ-JOYOIKCWSA-N 275.308 0.378 0 50 CCAA Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1ncc[nH]1 583651259 HZJLLJRJGXCONZ-SSDOTTSWSA-N 284.341 0.924 0 50 CCAA COc1ccc(Cn2nnnc2N2CCCOCC2)cc1 631083069 NAAMZGFVHDOIKP-UHFFFAOYSA-N 289.339 0.957 0 50 CCAA C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)[C@H]1C[C@@H](O)CN1 276690943 VJNKPJOTUYLLCD-IGHBBLSQSA-N 278.352 0.338 0 50 CCAA C[C@@H](CCO)N(C)C(=O)CNC(=O)c1ccc(F)cc1 585090560 MKUQALFICBPGFE-JTQLQIEISA-N 282.315 0.785 0 50 CCAA O=C1NC[C@@H](C(=O)NCCc2cccc(F)c2F)O1 1615557233 QLHCVFSOKCIYQA-VIFPVBQESA-N 270.235 0.732 0 50 CCAA Cn1cc(Cl)cc1C(=O)Nc1cn(C)c(=O)n(C)c1=O 408517785 UBGYNACTTKGVBM-UHFFFAOYSA-N 296.714 0.328 0 50 CCAA CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cnnn1CC 329074571 PHBRWNHQDUMXDJ-SNVBAGLBSA-N 279.344 0.381 0 50 CCAA CCc1nnc(CN2CCC[C@]2(COC)C(=O)NC)o1 643825890 AAOIQFVOOFLYNB-ZDUSSCGKSA-N 282.344 0.359 0 50 CCAA Cc1cc(C)n(CCCN(C)c2nc(C(=O)O)nn2C)n1 1857677681 MFALEEGKWOPEPU-UHFFFAOYSA-N 292.343 0.853 0 50 CCAA Cc1nsnc1C(=O)N1C[C@H]2CNC[C@]2(CN(C)C)C1 1772712049 ZSEFJPABBXCKAG-MFKMUULPSA-N 295.412 0.070 0 50 CCAA Cc1cc(N2CC[C@@]3(CNC(=O)CO3)C2)cc(C)n1 1772814354 UTGQUSUNIFMBIG-CQSZACIVSA-N 261.325 0.794 0 50 CCAA CCCCn1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 13811693 NLIDUKQXJHGDFG-UHFFFAOYSA-N 275.312 0.785 0 50 CCAA CCn1cnnc1CCNC(=O)[C@@]1(C)CC12CCNCC2 1857685501 WEUSESNAXQLTJE-CQSZACIVSA-N 291.399 0.737 0 50 CCAA Cn1nc(C(N)=O)nc1-c1ccc([C@H]2CNC(=O)C2)cc1 1875244668 YRLLMYVDHTYLNZ-SNVBAGLBSA-N 285.307 0.185 0 50 CCAA CCO[C@H]1C[C@@H](NC(=O)CN2CSCC2=O)C12CCC2 152135520 VKSTZTWBRJISHT-MNOVXSKESA-N 298.408 0.983 0 50 CCAA C[C@@H]1C[C@H](CN)CN1C(=O)Cn1c(=O)[nH]c2ccccc21 262079696 XMWFTCZMCNOPHC-GHMZBOCLSA-N 288.351 0.525 0 50 CCAA Cc1cc(C)n(CCC(=O)N2CCOC[C@@]23CCOC3)n1 799429695 WPSRIRZDCLEJCQ-HNNXBMFYSA-N 293.367 0.908 0 50 CCAA Cn1ccnc(N2CCC[C@H](Nc3ncccn3)C2)c1=O 266194872 CHARKLWJNUBKAV-NSHDSACASA-N 286.339 0.651 0 50 CCAA FC1(F)[C@@H]2CCCO[C@@]21CN=c1ncnc2[nH][nH]cc1-2 849173232 PZONLTMMABTKMW-KCJUWKMLSA-N 281.266 0.953 0 50 CCAA C=CC(=O)NC1CCN(c2nccn(CC)c2=O)CC1 863971571 YZULWFMHRPHKFF-UHFFFAOYSA-N 276.340 0.534 0 50 CCAA CC[C@H](C)CNC(=O)c1ccc(=O)n(CCO)c1 1875339727 VMONNPVVGNTSEK-JTQLQIEISA-N 252.314 0.617 0 50 CCAA NC(=O)CONC(=O)Nc1cc(F)cc2c1OCCC2 1875346999 GZFUMRJDJVYPIJ-UHFFFAOYSA-N 283.259 0.689 0 50 CCAA CCn1cc(CCC(=O)NC/C=C/C(=O)OC)c(C)n1 1875312181 VNWCOPGYMBFJMS-AATRIKPKSA-N 279.340 0.989 0 50 CCAA O=S(=O)(Nc1c(O)cccc1CO)N1CCCC1 1775989522 CMFHFRDMNJSAFV-UHFFFAOYSA-N 272.326 0.637 0 50 CCAA CC(C)(CO)S(=O)(=O)Cc1ncn(-c2ccccc2)n1 1776006334 OMNCFAGDIDKURQ-UHFFFAOYSA-N 295.364 0.953 0 50 CCAA OCCOCCN1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 299872795 LLGKVRVOYKMGNT-SOUVJXGZSA-N 268.401 0.802 0 50 CCAA CNC[C@H](O)CN1CCN(c2ccccc2OC)CC1 227549 AJBTULAKPQTSBZ-ZDUSSCGKSA-N 279.384 0.398 0 50 CCAA CS(=O)(=O)N1CCN(c2ccccc2N)CC1 555847 BWTBCZJEEYEADG-UHFFFAOYSA-N 255.343 0.350 0 50 CCAA Cc1nc(N2CC[C@H]3OCC(=O)N[C@H]3C2)nc(C)c1C 2356145324 LHMADJRKADPXKV-NWDGAFQWSA-N 276.340 0.496 0 50 CCAA Cc1cc(C(=O)N2C[C@H]3COC[C@@]3(CO)C2)c(C)n1C 2356150358 YGNKPVOOMQKJET-WFASDCNBSA-N 278.352 0.723 0 50 CCAA COCCNC(=O)C(=O)Nc1cc(C)ccc1OC 4122336 MWDSFDKFTDCXJN-UHFFFAOYSA-N 266.297 0.705 0 50 CCAA Cc1cc(C)cc(NC(=O)C[C@H]2NCCNC2=O)c1 4702803 AHRNUTIYXJYOHQ-GFCCVEGCSA-N 261.325 0.720 0 50 CCAA O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCOCC1 100099502 VXCRDHAXAIKGBV-TXEJJXNPSA-N 292.335 0.187 0 50 CCAA CC(=O)Nc1ncc(S(=O)(=O)Nc2ccon2)s1 225399910 XDTNCODYKPPZBC-UHFFFAOYSA-N 288.310 0.890 0 50 CCAA CCC[C@@H]1C(=O)NCCN1C(=O)c1cc(C)nn1CC 225530020 UWUAFXYOQHHSBL-LLVKDONJSA-N 278.356 0.952 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCCN[C@@H]2C)C1 246641303 VQHUWJJPTLIVMN-UTUOFQBUSA-N 275.418 0.693 0 50 CCAA CCCc1cnc(N2CCN3CCN(C)C[C@@H]3C2)nc1 65374176 FJPIXTXOPCBAQX-CQSZACIVSA-N 275.400 0.865 0 50 CCAA CSc1nccc(N2Cc3cnn(CCO)c3C2)n1 67692426 HAJYNXWSDCJTFL-UHFFFAOYSA-N 277.353 0.908 0 50 CCAA C[C@@H](C(=O)O)C(=O)N1CCN(c2ccccn2)CC1 229324584 OWMMXNPHKAPYLP-SNVBAGLBSA-N 263.297 0.451 0 50 CCAA CC(=O)N1CC(Nc2ccc(O)c(C(=O)O)c2)=CC1=O 218511313 FCNFTQMNCXPYEC-UHFFFAOYSA-N 276.248 0.775 0 50 CCAA NC(=O)[C@@H]1CN(Cc2cnc(-c3ccccn3)nc2)CCO1 215713293 SAEIFQIFGDWBJF-ZDUSSCGKSA-N 299.334 0.225 0 50 CCAA O=C(NC[C@@H](O)c1ccccc1F)[C@@H]1CSCN1 153565516 OOVOLVKNGWVGRM-WDEREUQCSA-N 270.329 0.638 0 50 CCAA O=C(NC[C@H](O)c1ccccc1F)[C@@H]1CSCN1 153565592 OOVOLVKNGWVGRM-QWRGUYRKSA-N 270.329 0.638 0 50 CCAA O=C(NCC1=CCNCC1)N1CC[C@@H]2OCC[C@@H]2C1 335342583 WXOPJLPVHCVXDY-OLZOCXBDSA-N 265.357 0.727 0 50 CCAA O[C@H]1CCN(c2ccnc(N3CCn4cncc4C3)n2)C1 72148206 DPSVXNZRVQUGAE-LBPRGKRZSA-N 286.339 0.264 0 50 CCAA COC[C@H](NC(=O)Cn1ccnc1)c1ccccn1 219832311 DZEZLTJOBMFLAL-LBPRGKRZSA-N 260.297 0.782 0 50 CCAA COCc1cccc(S(=O)(=O)NCC(=O)O)c1 262375469 GAVYEMFPFDXARF-UHFFFAOYSA-N 259.283 0.196 0 50 CCAA CCCn1ncc(C(=O)NC[C@@]2(O)CCCNC2)c1C 91289560 WXAIEOIFQVPPEN-CQSZACIVSA-N 280.372 0.446 0 50 CCAA CCC[C@H](Nc1nc(N)ncc1CC)C(=O)NC 95387032 ZRRMQVLBDSOYGR-VIFPVBQESA-N 251.334 0.948 0 50 CCAA Cc1nn(C)cc1[C@H](C)NC(=O)c1cc[nH]c(=O)c1 177482148 LYZOIKUBLODXKR-QMMMGPOBSA-N 260.297 0.908 0 50 CCAA CC(C)c1nccc(C(=O)NCc2nnc(N)s2)n1 426431992 QHLORQVDLUXCED-UHFFFAOYSA-N 278.341 0.964 0 50 CCAA CNC(=O)CCN(C)c1ncc(F)c(N(C)C)n1 95365547 ORCNEGKTOKIZBB-UHFFFAOYSA-N 255.297 0.254 0 50 CCAA COCC(=O)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91694100 MTWRGAGDBMYMIB-CHWSQXEVSA-N 270.373 0.186 0 50 CCAA OCCN1CCN(C2CCN(c3ncccn3)CC2)CC1 91848099 RFXVYCAHEPHXCY-UHFFFAOYSA-N 291.399 0.055 0 50 CCAA COCC1(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3O)CCC1 91519295 IGBOFTDJVJJLBH-TXEJJXNPSA-N 283.368 0.537 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4nccs4)C(=O)[C@H]13)O2 245225736 KGBDEFWFIYRKEU-GYAIJENASA-N 278.289 0.514 0 50 CCAA CCn1nccc1S(=O)(=O)NC1(C)CCNCC1 534654437 UTVFBTITBUPOME-UHFFFAOYSA-N 272.374 0.323 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)C(C)(C)N1CCCC1 534659635 LREWYJMBSNHRHV-QWRGUYRKSA-N 256.346 0.391 0 50 CCAA Cc1cccn2c(CC(=O)NCCn3cncn3)cnc12 534669316 YVYVDHMYPDYYGE-UHFFFAOYSA-N 284.323 0.593 0 50 CCAA COC[C@@H](NC(=O)c1[nH]nnc1C)c1ccccn1 534674574 LFQKTDCZZNVSCN-SNVBAGLBSA-N 261.285 0.626 0 50 CCAA CNC(=O)CN1CCN(C(=O)c2cncc(Cl)c2)CC1 622283989 JVZICWJLXNUXIK-UHFFFAOYSA-N 296.758 0.239 0 50 CCAA CC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(C)CC2)C[C@@H]1O 1940193643 XIVUDOXITBGXKX-IHRRRGAJSA-N 282.384 0.911 0 50 CCAA CN1CCN(C)[C@H](CC(=O)NCCCc2ccco2)C1 299756972 FNXKOBQBXGYZSP-CYBMUJFWSA-N 279.384 0.964 0 50 CCAA COCCN1C[C@H](CNc2ncnc3[nH]ccc23)CC1=O 824412286 ADESCJNHKMXXNE-JTQLQIEISA-N 289.339 0.865 0 50 CCAA CC[C@@H](NS(=O)(=O)N1CCOCC1)c1ncc(C)[nH]1 822650408 VMKFSPSQWNECQW-SNVBAGLBSA-N 288.373 0.336 0 50 CCAA O=C(c1ccco1)N1CCC(Cc2nn[nH]n2)CC1 1352695082 CKJRLSZMGPNGDC-UHFFFAOYSA-N 261.285 0.888 0 50 CCAA Cc1cnc(CCNC(=O)N2C[C@@H]3CC[C@]3(N)C2)cn1 1553491887 QPQBFWDAWWTVJA-FZMZJTMJSA-N 275.356 0.460 0 50 CCAA CC(C)Cc1nc([C@H]2CCCNC2=O)n(CCO)n1 952872150 LHDKKTFNSISIOS-SNVBAGLBSA-N 266.345 0.463 0 50 CCAA CC1=C(C(=O)NCCCN2CCC[C@H](CO)C2)OCCO1 952992185 ZUEVUJYFFVQAKL-ZDUSSCGKSA-N 298.383 0.475 0 50 CCAA Cc1ncncc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 408062398 HERGFWFVSFBWKG-BNOWGMLFSA-N 291.351 0.787 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CNCCO2)C[C@@H](c2ccccc2)O1 187516979 QXROZWMRPKIGET-YUELXQCFSA-N 290.363 0.963 0 50 CCAA C[C@@H]1CN(C(=O)Cc2cscn2)C[C@H](C(=O)O)O1 668294133 QXDJFHFUXZSZHG-VXNVDRBHSA-N 270.310 0.386 0 50 CCAA CCSC1(CNC(=O)[C@H]2CN3CCCN2CC3)CC1 598331329 VFODBUWYVNNUMJ-GFCCVEGCSA-N 283.441 0.778 0 50 CCAA CCc1c(C(=O)N2C[C@H]3CCC[C@]3(N)C2)nnn1CC 1615622331 GNVXGNIQUSQQTG-YGRLFVJLSA-N 277.372 0.814 0 50 CCAA OC[C@@H]1CN(Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1O 459697751 YTUSVOAXNZTZGS-JQWIXIFHSA-N 299.754 0.896 0 50 CCAA COc1cc(F)ccc1C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875239796 POUMUHFXXOSJPZ-FPQZTECRSA-N 297.282 0.091 0 50 CCAA CC(C)n1ccc(C(=O)N[C@H]2CC[S@](=O)C2)n1 408305571 LATFENQPPJTJFH-XYZCENFISA-N 255.343 0.715 0 50 CCAA O=C(NCc1ccc2c(c1)OCCCO2)[C@H]1C[C@H](O)CN1 238096912 AQSLQWHPVSGBDC-NWDGAFQWSA-N 292.335 0.187 0 50 CCAA O=C(c1cc(O)nc2ccccc12)N1C[C@H](O)C[C@H]1CO 363702678 PMCNERUKZVRPGE-VHSXEESVSA-N 288.303 0.508 0 50 CCAA Cc1cnc(NC(=O)NC[C@H]2CN(C)CCN2C)s1 264737082 OAHINFDSARMPCA-JTQLQIEISA-N 283.401 0.819 0 50 CCAA CN(C)c1cc(CN2C[C@H]3CS(=O)(=O)C[C@H]3C2)ccn1 933721495 FIUJDOJLYNZWNN-BETUJISGSA-N 295.408 0.624 0 50 CCAA OC[C@H]1CN(c2[nH]cnc3nc(Cl)cc2-3)CC[C@H]1O 865879494 HKATVJWNYLHSIF-VXNVDRBHSA-N 282.731 0.742 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@@](O)(CC)C1 870679174 LEVBKPXRILOPPF-ZDUSSCGKSA-N 254.330 0.394 0 50 CCAA CN(C(=O)[C@H]1CCCSC1)N1CCS(=O)(=O)CC1 952880736 IOYMVWQEYBRXRK-JTQLQIEISA-N 292.426 0.233 0 50 CCAA O=C(CC(=O)N1C[C@@H]2C[C@@H](O)[C@H]1C2)Nc1nccs1 1875297329 LRXOXTSTUATUFV-DJLDLDEBSA-N 281.337 0.453 0 50 CCAA CC1(C)C[C@H](O)CCN(C(=O)CCn2cnnn2)C1 670435304 LTTYSLKJTVUVCS-SNVBAGLBSA-N 267.333 0.073 0 50 CCAA Cc1cccc(N2CCN(C[C@]3(O)CCNC3)CC2)c1 694135303 OKROROKCLULMSK-INIZCTEOSA-N 275.396 0.841 0 50 CCAA CCCn1ccnc1CN1CCN(CCC(=O)O)CC1 385293095 CULKIWOAMDYOTF-UHFFFAOYSA-N 280.372 0.885 0 50 CCAA O=C(NC[C@H](O)c1cnc[nH]1)[C@H]1Cc2ccccc21 1349185687 SHRLIXJPGQOWOP-AAEUAGOBSA-N 257.293 0.899 0 50 CCAA CCOC(=O)c1nc(-c2ccc(O)cc2)c[n+]([O-])c1N 331431 XFXZIAMPQKXZGK-UHFFFAOYSA-N 275.264 0.847 0 50 CCAA O=C1COC2(CCN(C(=O)Cc3cccs3)CC2)CN1 2356151620 QEAQEJYXZDASBX-UHFFFAOYSA-N 294.376 0.798 0 50 CCAA CCc1ccc(OC[C@@H](O)CN(CCO)CCO)cc1 2941471 JHJYUQKICKVURJ-AWEZNQCLSA-N 283.368 0.275 0 50 CCAA c1c(N2CCOCC2)ssc1=[N+]1CCOCC1 4582705 FHHVWIUOZUWMGL-UHFFFAOYSA-N 273.403 0.449 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 4899517 MUFXDFWAJSPHIQ-XDTLVQLUSA-N 294.351 0.878 0 50 CCAA endogenous,in-man CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccccc1NC 67446707 RWPHFQLQSQKKPG-GWCFXTLKSA-N 290.367 0.406 0 50 CCAA COc1cc(N2CCC(NC(C)=O)CC2)ncn1 65426440 BEWPSODRMYBDLQ-UHFFFAOYSA-N 250.302 0.590 0 50 CCAA Cc1cc(=O)[nH]c2ccc(S(=O)(=O)CC(=O)O)cc12 65364076 DPTVEJQNDITIFY-UHFFFAOYSA-N 281.289 0.695 0 50 CCAA CC(C)c1nn(C)cc1C(=O)NCc1nc2ncccn2n1 425325558 JZUUINHMSGIXTI-UHFFFAOYSA-N 299.338 0.911 0 50 CCAA C[C@H](O)C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 252483111 DVHDYMGHORYNOG-GARJFASQSA-N 284.356 0.693 0 50 CCAA COCCS(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 230079780 YJFLISUQAYZACJ-MNOVXSKESA-N 263.359 0.606 0 50 CCAA Cc1cnc(C(=O)N2CCC[C@@](O)(CO)CC2)cn1 72155997 MDEGYDRFYXVKHJ-ZDUSSCGKSA-N 265.313 0.135 0 50 CCAA O=C(COc1cccnc1)N1C[C@@H](F)C[C@H]1CO 330573947 PIDPZUTUFNGGGM-UWVGGRQHSA-N 254.261 0.392 0 50 CCAA CCO[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@@H]1O 219114432 ZEKISQDWPTXVFQ-RYUDHWBXSA-N 276.296 0.180 0 50 CCAA C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C)[C@H](c2nccn2C)C1 328640165 XFVLYGINABZGBI-AGIUHOORSA-N 292.383 0.660 0 50 CCAA O=C(C1=COCCO1)N1CCN[C@@H](c2cccnc2)C1 374384782 IQELYGFXGODGKD-GFCCVEGCSA-N 275.308 0.443 0 50 CCAA CS(=O)(=O)NCC(=O)N[C@H]1CCC[C@H](C2CC2)C1 153446060 YIRHJSMMFKEBJL-QWRGUYRKSA-N 274.386 0.621 0 50 CCAA NC(=O)C1(NC(=O)Nc2nnc(C(F)(F)F)s2)CC1 155602528 XCTPVWYYKICFBK-UHFFFAOYSA-N 295.246 0.696 0 50 CCAA O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(=O)[nH]o1 215561157 UTJDUWHWNYOXHY-UHFFFAOYSA-N 276.227 0.913 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)NC1(C(=O)O)CCCC1 237718813 CIGOFHILTZVEKS-UHFFFAOYSA-N 295.339 0.929 0 50 CCAA Cc1cccc(=O)n1CCCNC(=O)C[C@H]1COCCN1 72173942 WUSZICXCPUPFBK-ZDUSSCGKSA-N 293.367 0.042 0 50 CCAA CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2)[C@@H]2CCO[C@@H]21 222553575 FQWRFRSQHFIRAC-ZMJPVWNMSA-N 268.357 0.248 0 50 CCAA O=C(O)CNC(=O)Cc1cc(Cl)c2c(c1)OCCO2 263150226 LSXYSGXDHCSUCP-UHFFFAOYSA-N 285.683 0.855 0 50 CCAA COC[C@@H]1CCCN1C(=O)NCCc1cn[nH]c1 426602395 HFEHMLHXCBRRRC-NSHDSACASA-N 252.318 0.773 0 50 CCAA Cc1c(C(=O)N[C@H](C(=O)O)C2CC2)cnc2cc(O)nn12 426414832 VMHLBDSWFUMDPF-NSHDSACASA-N 290.279 0.336 0 50 CCAA Cc1ccc2nc(C)c(C(=O)NCCc3nc(=N)[nH][nH]3)n2c1 426404227 JTEXNBQDWWGCKH-UHFFFAOYSA-N 299.338 0.454 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)C(C)=C2CCCC2)C1 285968927 DQVKGCYRZUDINU-RYUDHWBXSA-N 266.341 0.978 0 50 CCAA Cc1ccc(N2CCN(C(=O)c3cnccn3)CC2)nn1 49342711 RXRXGERGBPCYRI-UHFFFAOYSA-N 284.323 0.537 0 50 CCAA CCCc1cc(CNC(=O)CN2CCCN(C)CC2)on1 220567441 SGKIXONFGMKSQP-UHFFFAOYSA-N 294.399 0.881 0 50 CCAA COC(=O)c1noc(C)c1CSc1nnc(CN)n1C 426434073 LJCBJAKQBUWLBG-UHFFFAOYSA-N 297.340 0.649 0 50 CCAA Cc1cncc(NC(=O)N2CCO[C@H](CCN)C2)c1 97653977 UECCUEDDPIJCGC-GFCCVEGCSA-N 264.329 0.972 0 50 CCAA CC(C)N1CCC(C(=O)N[C@H](C)c2nnn[nH]2)CC1 95388128 ZKXKRPVDCSCRGE-SECBINFHSA-N 266.349 0.497 0 50 CCAA C[C@H]1CN(C(=O)c2cnc3[nH]c(O)nc3c2)C[C@]1(C)CO 620469034 IAKAAKKBESWKGQ-RMLUDKJBSA-N 290.323 0.754 0 50 CCAA CNC(=O)c1cccc(CCNC(=O)[C@@H]2C[C@H]2C(=O)O)c1 299749696 LIYQLCRPPWFLSU-VXGBXAGGSA-N 290.319 0.426 0 50 CCAA COCc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)ccc1F 299751749 ROMRUQQUJOQJHG-GFCCVEGCSA-N 297.282 0.898 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C(=O)[C@H]1C[C@H]1C(=O)O)C1CC1 299748208 GLHBBQUMLNEPDU-FKTZTGRPSA-N 289.353 0.131 0 50 CCAA CN1C[C@H](NS(=O)(=O)N(C)Cc2ccccc2)CC1=O 828247881 FTIICXQIIFZLDT-GFCCVEGCSA-N 297.380 0.184 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)N1CCc2n[nH]cc2C1 827628082 RHHKVFRUOVSATE-JTQLQIEISA-N 259.313 0.827 0 50 CCAA C[C@@H](CN1CCN(C)CC1)N1CCC2(CCNCC2)C1 823789140 MTSUTEAIAVYSDE-HNNXBMFYSA-N 280.460 0.698 0 50 CCAA CCCc1cc(CNC(=O)[C@H]2NCCc3nc[nH]c32)on1 823009629 CRDQXNMYJKGZPY-ZDUSSCGKSA-N 289.339 0.853 0 50 CCAA CC(C)n1cnnc1[C@H](C)NC(=O)c1ccc(=O)n(C)n1 670437300 IILOBXVWBRBUJQ-VIFPVBQESA-N 290.327 0.444 0 50 CCAA CCNC(=O)c1ccc(N2CC[C@@H](CC(=O)NC)C2)nc1 670470543 OSAAYTBHDBIYSG-NSHDSACASA-N 290.367 0.794 0 50 CCAA O=C(c1ccn(CC(F)(F)F)n1)N1CC=C[C@@H]1CO 1337411237 WIYQXVNAIJNNOS-MRVPVSSYSA-N 275.230 0.818 0 50 CCAA CCNC(=O)[C@H]1CCN(C(=O)C2(N)CCCC2)C1 952985416 BKQBQTGGZYYBMK-JTQLQIEISA-N 253.346 0.243 0 50 CCAA CC/C=C/CC(=O)N[C@H]1CCOC[C@@H]1OCCO 1565529964 SKJNHBMDUSHEFA-QSKOYVBTSA-N 257.330 0.625 0 50 CCAA O=C(O)CCN(C(=O)[C@@H]1CCCO1)C1CCOCC1 408513313 PAYLWDCTKPPBBK-NSHDSACASA-N 271.313 0.648 0 50 CCAA CN(CCCC(=O)O)S(=O)(=O)Cc1ccon1 270526767 SWRKSYCUMNWKSQ-UHFFFAOYSA-N 262.287 0.301 0 50 CCAA CC(C)Cc1nsc(NCCS(N)(=O)=O)n1 274573909 FCSGBZCDMNNPMS-UHFFFAOYSA-N 264.376 0.437 0 50 CCAA COC(=O)c1oc(Cn2ccc(=O)n(C)c2=O)cc1C 585123118 WEGXFFKJVYVRAI-UHFFFAOYSA-N 278.264 0.283 0 50 CCAA Cc1noc(CCNC(=O)[C@@H]2CCCO[C@@H]2C)n1 190717612 XSTLBALMOBGDJF-PSASIEDQSA-N 253.302 0.852 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2cccnn2)CC1 190953571 ZKGXPIKPGYUZNM-OLZOCXBDSA-N 290.367 0.940 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1conc1C 643763770 HHOYPAZFPJXVHV-GFCCVEGCSA-N 253.302 0.449 0 50 CCAA O=C1CCCC[C@H](C(=O)N2CC[C@@]3(CCOC3)C2)N1 194303810 MBQFHYWONMAUBB-BXUZGUMPSA-N 266.341 0.684 0 50 CCAA O=C(O)CC[C@H]1CCCN1S(=O)(=O)[C@H]1CCOC1 656161589 CCNIYTXFWAMUBI-ZJUUUORDSA-N 277.342 0.434 0 50 CCAA CC1(C)[C@@H](NCCN2CCCC2=O)[C@H]2CCCN[C@H]21 693665742 GAMLYKLRAHUBKM-YUTCNCBUSA-N 265.401 0.975 0 50 CCAA Cc1cc(COCC(=O)N[C@]23CCC[C@H]2CNC3)no1 1615554813 MHVILMAJDKNJMF-FZMZJTMJSA-N 279.340 0.758 0 50 CCAA CCNC(=O)[C@@H]1CCN(CC(=O)Nc2cn(C)nc2C)C1 1506408228 WIDDBEFJYKKUIG-LLVKDONJSA-N 293.371 0.125 0 50 CCAA N=c1[nH]nc(N2CCO[C@H](c3ccccn3)C2)s1 1857677392 ZQDPXFVDEWULAY-VIFPVBQESA-N 263.326 0.924 0 50 CCAA CCCn1nccc1C(=O)N1CC[C@@H](O)C[C@H]1C(=O)OC 209905655 BYGOCMZIHUQJNQ-PWSUYJOCSA-N 295.339 0.432 0 50 CCAA NC(=O)[C@H]1CN(Cc2ccc(Cl)s2)C[C@@H]1C(N)=O 585116580 BNKZJZQJBGLOBX-YUMQZZPRSA-N 287.772 0.420 0 50 CCAA COCCn1ccnc1CN1C[C@@H]2CNC(=O)C[C@@H]2C1 1775984098 YUYBQHPQSUGRJQ-NEPJUHHUSA-N 278.356 0.097 0 50 CCAA O=C(N[C@@H]1C[C@H]2CO[C@H](C3CC3)CN2C1)c1ccon1 1857710605 GQTAQMDLRYYQEC-MDZLAQPJSA-N 277.324 0.656 0 50 CCAA Cn1cncc1CN1CC[C@H](N=c2ccc3nccn3[nH]2)C1 548677900 RTBVVKIZAYTJJD-LBPRGKRZSA-N 297.366 0.571 0 50 CCAA CNC(=O)[C@H](O)CNC(=O)c1csc2c1CC[C@H](C)C2 253433179 SWXPAYBPNISJDE-GZMMTYOYSA-N 296.392 0.710 0 50 CCAA CCc1cc(N2CCCN(S(C)(=O)=O)CC2)nc(C)n1 265999953 KJUXUQCDLPQHAF-UHFFFAOYSA-N 298.412 0.819 0 50 CCAA COC[C@@]1(C)NC(=O)N(c2cccnc2OC)C1=O 900195696 CXFAOUPZENSGOD-GFCCVEGCSA-N 265.269 0.552 0 50 CCAA COc1cccc(F)c1CN1C[C@H]2COC[C@@H](C1)C(=O)N2 1704335690 DKXPCUVQAPTIEI-MNOVXSKESA-N 294.326 0.781 0 50 CCAA O=C(c1cnc2nccn2c1)N1CCc2nc[nH]c2C1 929079505 RAVAZDKBJKYXQF-UHFFFAOYSA-N 268.280 0.651 0 50 CCAA CN(C)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)O)nc1 1875267345 NUDYUFHEEIOTES-LLVKDONJSA-N 279.296 0.073 0 50 CCAA O=C1CC[C@H](NC(=O)N=c2nc(C3CC3)[nH]s2)CN1 1875267663 SFJZABGKENBEDL-ZETCQYMHSA-N 281.341 0.238 0 50 CCAA Cc1nn(CCO)c2ncc(C(=O)N3CCCC3)cc12 1875258317 GCCGTVQTTLZUEF-UHFFFAOYSA-N 274.324 0.968 0 50 CCAA COc1ccc([C@@H]2NC(=O)[C@H](C(C)C)NC2=O)cc1O 1875278917 WVAJOFWYBGZUTJ-RYUDHWBXSA-N 278.308 0.713 0 50 CCAA COC(=O)/C=C/CNC(=O)Cc1ccccc1CC(N)=O 1875333250 KVMUWZYKUUZFKI-QPJJXVBHSA-N 290.319 0.102 0 50 CCAA CCOC(=O)c1cc(C(=O)NCc2cccnc2)[nH]n1 1875342267 HTEZWBGQGIHENX-UHFFFAOYSA-N 274.280 0.911 0 50 CCAA Cc1cnn([C@@H]2[C@@H](NCc3c(C)n[nH]c3C)C[C@H]2O)c1 888077093 INKRDPZBQKHRJQ-BFHYXJOUSA-N 275.356 0.996 0 50 CCAA COc1cc(C2=C3[C@H](C=CS3(=O)=O)ON2)ccc1O 888102130 DCRARLGFDNQUEK-VIFPVBQESA-N 281.289 0.915 0 50 CCAA CCc1ncnc(N2CC(O)(c3cnnn3C)C2)c1F 1775276387 UINXXCCFCVCPGB-UHFFFAOYSA-N 278.291 0.014 0 50 CCAA NC[C@H]1CN(S(=O)(=O)CC2CCCC2)CCO1 262088462 RJYOCUDLJHZHQT-NSHDSACASA-N 262.375 0.166 0 50 CCAA Cn1nc(CN)cc1C(=O)N=c1[nH]nc(C(F)F)s1 2325768389 PIBLXGHRMCUWOT-UHFFFAOYSA-N 288.283 0.342 0 50 CCAA NC1CN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 2325801058 TVBCSJRSRHUOAR-VIFPVBQESA-N 293.754 0.862 0 50 CCAA C[C@@H](N[C@@H]1CCN(C)C1=O)C1(N2CCOCC2)CCCC1 126033777 YQPZUDBHIXAIGZ-ZIAGYGMSSA-N 295.427 0.840 0 50 CCAA COc1ccccc1N1CCN(S(C)(=O)=O)CC1 29521 ZSDICOSZAXJKDQ-UHFFFAOYSA-N 270.354 0.777 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 466893 GDPDPKLDQCFMCO-UHFFFAOYSA-N 276.745 0.950 0 50 CCAA CCOC(=O)C(Cc1ccccc1)(NC=O)C(=O)OCC 1748815 NBYHSKJGHGIXGR-UHFFFAOYSA-N 293.319 0.840 0 50 CCAA COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 2441514 GTUIGGIYWJCNDA-LBPRGKRZSA-N 278.308 0.929 0 50 CCAA N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O 2566288 WEQJQNWXCSUVMA-NWDGAFQWSA-N 262.309 0.632 0 50 CCAA endogenous,in-man CCCCC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(C)C1=O 2872075 BSRGHZHEFCYWQE-SECBINFHSA-N 281.234 0.733 0 50 CCAA COc1ccc(NC(=O)C(=O)NCCCO)cc1Cl 2966545 SDZGBQSTCIIJQU-UHFFFAOYSA-N 286.715 0.786 0 50 CCAA O=C(Cn1cnc2ccccc2c1=O)NC[C@@H]1CCCO1 6402352 HOYQOKHSWWRNDR-NSHDSACASA-N 287.319 0.692 0 50 CCAA O=S(=O)(CC1CC1)N1CCC(OCCO)CC1 135382033 SONNGDXDLFNXBK-UHFFFAOYSA-N 263.359 0.200 0 50 CCAA CCOC(=O)Cc1cc(=O)n2nc(SC)nc2[nH]1 100137535 JQQBDENYGWTCQF-UHFFFAOYSA-N 268.298 0.245 0 50 CCAA COCCN1CCC[C@@](O)(CNCc2cccnc2)C1=O 67946484 BBLFLUCADXKASQ-OAHLLOKOSA-N 293.367 0.171 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCN(C)[C@@H](C(=O)O)C2)n[nH]1 67805324 NKPJBSKJDFXVKA-GFCCVEGCSA-N 294.355 0.449 0 50 CCAA C[C@H](Cn1cncn1)Nc1ccc(-c2nccn2C)nn1 71765241 PJWIVAKTOCVVAO-SNVBAGLBSA-N 284.327 0.969 0 50 CCAA Cc1cncc(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c1 230255231 LAKRRHWDADKQCS-STQMWFEESA-N 277.368 0.917 0 50 CCAA CSC[C@@H](C)C(=O)Nc1ccn([C@H]2CCNC2)n1 328645385 ZPQRCUZYXFZMCM-ZJUUUORDSA-N 268.386 1.355 0 50 CCAA C[C@]12CCCN1C(=O)N([C@H]1CCN(C3CC3)C1=O)C2=O 253630307 ZOHGBCPODKYNCW-IINYFYTJSA-N 277.324 0.566 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)NCCc1cn2ccccc2n1 262414886 ZPGNXMKGEQBRGJ-RISCZKNCSA-N 288.351 0.370 0 50 CCAA CCC[C@H](N)C(=O)NCCc1nc(COC)no1 219678031 KYJWKKFQNLHELV-QMMMGPOBSA-N 256.306 0.002 0 50 CCAA CN(Cc1cc2n(n1)CCNC2)Cc1n[nH]c2c1CCC2 72172375 XAQDSAFZVHNWGV-UHFFFAOYSA-N 286.383 0.830 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)CN2CCc3ccccc32)C1 261858451 PNPPDBYQCWXODQ-LBPRGKRZSA-N 274.320 0.982 0 50 CCAA O=C(O)COc1cccc(CN2CC[C@H](CO)[C@H](O)C2)c1 72129025 OACHHWHFHXPWAS-TZMCWYRMSA-N 295.335 0.325 0 50 CCAA NC[C@H]1CCCC[C@@H]1NCCN1C[C@@H]2CC[C@H](C1)O2 333306978 RBIREYAPTAQRKH-KBXIAJHMSA-N 267.417 0.957 0 50 CCAA COCCN1CCN(c2nccc3c(O)ncnc23)CC1 518999538 DZZFNZIFUGMJNE-UHFFFAOYSA-N 289.339 0.499 0 50 CCAA CC(C)c1noc([C@@H](C)NC(=O)N2CCCNC(=O)C2)n1 426734166 TWWKJKHRZOCAOZ-SECBINFHSA-N 295.343 0.786 0 50 CCAA C[C@@H]1CN(c2ccnc3c2cnn3C)CC(=O)N1C 286504146 QNXKUOFBXFOROZ-SECBINFHSA-N 259.313 0.635 0 50 CCAA O=C(CN1CCCC1)NCc1noc([C@@H]2CCCO2)n1 222839968 OIEDVAKGQQAHQD-JTQLQIEISA-N 280.328 0.633 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(CO)cc1 223082584 TXGAPGJUZOGEEZ-YJNKXOJESA-N 291.347 0.959 0 50 CCAA Cc1cnc(CNC(=O)N(C)C[C@H]2COCCO2)[nH]1 426383163 URXXKVAWQXBSFM-JTQLQIEISA-N 268.317 0.275 0 50 CCAA CN(CC(=O)N[C@H](c1cccnc1)C(F)(F)F)C(N)=O 426649515 GIMFPIYZECKXTI-SECBINFHSA-N 290.245 0.812 0 50 CCAA Nc1nc([C@@H]2CCOC2)cc(N2CCOCC2)n1 426444940 MFTRPYVWZXTKTQ-SECBINFHSA-N 250.302 0.399 0 50 CCAA CCCCNC(=O)CN(C)C(=O)c1c(C)[nH]c(C)cc1=O 426428935 UAHBYOSWNSHNDR-UHFFFAOYSA-N 293.367 0.980 0 50 CCAA COc1ccccc1-n1cc(CN2CCNCC2)nn1 232313872 BWZCWKDIQSCRBC-UHFFFAOYSA-N 273.340 0.681 0 50 CCAA C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)[C@@H](C)N)CC1 237450106 ZOUJTTOHTCIQMB-HZSPNIEDSA-N 282.432 0.351 0 50 CCAA CC(=O)NC(C)(C)C(=O)N[C@H](C)c1nncn1C(C)C 426445151 RKGVLKPJXLJCQY-SECBINFHSA-N 281.360 0.951 0 50 CCAA CN(C)CCCOC1CCN(C(=O)[C@@H]2CCCN2)CC1 237102421 FZNBWMLJNQZIIE-AWEZNQCLSA-N 283.416 0.698 0 50 CCAA CC1(C)CN(C(=O)CCS(C)(=O)=O)C[C@@]1(C)O 91616802 UJGLDSWUTKTLIG-LLVKDONJSA-N 263.359 0.041 0 50 CCAA Cn1cc([C@H](NC(=O)C(=O)C(C)(C)C)[C@H]2C[C@@H](O)C2)cn1 244858478 VLYGXVXPOPWXPW-ADEWGFFLSA-N 293.367 0.964 0 50 CCAA O=C(NCc1n[nH]c2c1CCC2)c1n[nH]c2c1COCC2 244872829 WFDPYYINMBVBLQ-UHFFFAOYSA-N 287.323 0.624 0 50 CCAA O=c1[nH]ccn1CCN1CCC(Oc2ncccn2)CC1 244691832 JJXABNXNRKEBBO-UHFFFAOYSA-N 289.339 0.510 0 50 CCAA C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCOC[C@@H](O)C1 295588295 MIKHBRWVLXNANM-QWRGUYRKSA-N 289.335 0.827 0 50 CCAA CC1(C)O[C@@H]2[C@@H]3O[C@H](COc4nc(=O)ccn43)[C@H]2O1 257355514 AZOHLNWZDQIBIJ-PRQTWWFRSA-N 266.253 0.053 0 50 CCAA COc1ccccc1CCC(=O)N1CCO[C@H]2CNC[C@H]21 299741022 CWKKVIPPYUMIEQ-HIFRSBDPSA-N 290.363 0.827 0 50 CCAA CC(C)c1ocnc1C(=O)N1CCN(c2nc[nH]n2)CC1 299801493 YULHMYDAWMAMEX-UHFFFAOYSA-N 290.327 0.879 0 50 CCAA O=C(NC1CCN(c2cnccn2)CC1)[C@@H]1CCOC1 299765820 YBJDXLTYFRHODC-LLVKDONJSA-N 276.340 0.598 0 50 CCAA Cc1[nH]nc(CCC(=O)N2CCN3C(=O)OC[C@@H]3C2)c1C 584897315 OJHICCFWNPEHNS-NSHDSACASA-N 292.339 0.622 0 50 CCAA CN1C[C@H](NC(=O)CN2CCCCCC2)CCC1=O 828007234 XXECOPALVSQDRG-GFCCVEGCSA-N 267.373 0.599 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)c1c(Cl)cnn1C 666255294 NAEHGIFNXUNPBY-VIFPVBQESA-N 284.747 0.814 0 50 CCAA O=C(NOC[C@@H]1CCOC1)c1cnc(C2CC2)nc1O 1332112554 LMEYWZLRLQSDQT-MRVPVSSYSA-N 279.296 0.758 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1O)c1cn2cc(Cl)ccc2n1 1565527507 YAMQGWQKKNILQA-ONGXEEELSA-N 295.726 0.867 0 50 CCAA CC(C)c1cc(C(=O)N2CCOC[C@H]2C(=O)O)nn1C 268966162 CTZFTWIHFWMXFA-NSHDSACASA-N 281.312 0.469 0 50 CCAA C[C@H](N)C(=O)N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 166612387 ZOUJTTOHTCIQMB-MJBXVCDLSA-N 282.432 0.351 0 50 CCAA CC(C)CN(CC(N)=O)C(=O)[C@@H]1CCCO[C@H]1C 188068268 LBQQMYHWSLJAET-WDEREUQCSA-N 256.346 0.771 0 50 CCAA Cc1nn(CC(=O)N2CC3(CCOCC3)C[C@H]2C)c(=O)o1 640477480 IBFQBYCOOBEIIF-SNVBAGLBSA-N 295.339 0.562 0 50 CCAA Cc1cncc(CN2CCC[C@@H](CNS(N)(=O)=O)C2)c1 189882518 HGMCYUUOMXUOEL-LBPRGKRZSA-N 298.412 0.395 0 50 CCAA O=C(CCc1ccncn1)N1CCN2CCC[C@@H]2C1 192350101 QIETXWGGPCLWLB-CYBMUJFWSA-N 260.341 0.716 0 50 CCAA CC(C)(C)N1CC[C@H](NC(=O)c2cc(N)n[nH]2)C1 710356790 IZKMOSNRGUINEZ-QMMMGPOBSA-N 251.334 0.595 0 50 CCAA Cc1cnn(CCN2CCC[C@](O)(Cn3ccnn3)C2)c1 671448281 DTPMLWGMEQSDDD-CQSZACIVSA-N 290.371 0.310 0 50 CCAA OC[C@@H]1CN(Cc2nnc(C3CC3)o2)CC[C@H]1O 687821755 GCPKGQUEPRYVTJ-VHSXEESVSA-N 253.302 0.122 0 50 CCAA Cn1nc2c(c1C(=O)N1CCOC[C@H]1CCO)CCCC2 769056720 TXYNIZVQUAWKOM-LLVKDONJSA-N 293.367 0.522 0 50 CCAA CN1CCC(CNc2ccc(C(=O)O)nn2)(N(C)C)CC1 1164211028 KEIPMYJEVYMJCH-UHFFFAOYSA-N 293.371 0.613 0 50 CCAA Cn1cc(CNC(=O)[C@@H]2NCC[C@@H]3CCCC[C@H]32)nn1 1650364708 LXTZBGRDHKRELP-CYZMBNFOSA-N 277.372 0.600 0 50 CCAA CCN1CCC[C@H]1CN1CCC(N(C)CCO)CC1 1506405569 CKSXDUAYFNOIKV-HNNXBMFYSA-N 269.433 0.859 0 50 CCAA c1nc(N2CCOCC2)ncc1CN1CC[C@@H]2CNC[C@@H]21 216455660 NWRSYZLPIKOJCX-KGLIPLIRSA-N 289.383 0.107 0 50 CCAA CC(=O)NCCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529151342 BOAHQVCZNKQGEN-ZIAGYGMSSA-N 291.351 0.282 0 50 CCAA COC1(CC(=O)N2CCCNC(=O)[C@@H]2C)CCC1 334540717 VTNUSRFIKNMHPE-JTQLQIEISA-N 254.330 0.683 0 50 CCAA O=C(CSc1nc2ccccc2c(=O)[nH]1)NCCO 1805500 YSNFHOIVCWHYIS-UHFFFAOYSA-N 279.321 0.124 0 50 CCAA C[C@@]1(O)CCOC2(CCN(c3cnccn3)CC2)[C@H]1O 1704312835 CFWVLCUHHLDVQV-QWHCGFSZSA-N 279.340 0.348 0 50 CCAA COc1ncnc2c1CN([C@H]1CCCCNC1=O)CC2 120338040 KNZVYAOGZVLXBJ-LBPRGKRZSA-N 276.340 0.512 0 50 CCAA Nn1c(S)nnc1CCN1C(=O)c2ccccc2C1=O 1772491162 JBQBUEOVRNIZTL-UHFFFAOYSA-N 289.320 0.119 0 50 CCAA c1cc(CN2CCN(c3nc[nH]n3)CC2)n2nccc2c1 1857666945 NMRJXEIKJXLLCP-UHFFFAOYSA-N 283.339 0.775 0 50 CCAA Cc1nn(C(C)C)c(C)c1CN1C[C@@H](N)C[C@@H](O)C1 1857675255 PLOHMZOTSPXVCB-QWHCGFSZSA-N 266.389 0.975 0 50 CCAA O=C(NCCCN1CCCC1=O)[C@@H]1CCn2nccc2C1 1857712640 KAUVONBTGWGVBD-GFCCVEGCSA-N 290.367 0.574 0 50 CCAA CCCCCNC(=O)CNS(=O)(=O)c1ccccc1N 408516152 DTIMIWJXHKKOIL-UHFFFAOYSA-N 299.396 0.854 0 50 CCAA CCc1nsc(N2CCN[C@@H](c3cn[nH]c3)C2)n1 952876563 BDHIWKYHMABIFF-SECBINFHSA-N 264.358 0.975 0 50 CCAA CCO[C@H]1C[C@H](N(C)C(=O)C2(N)CC(O)C2)C1(C)C 952882458 FTLPFPQQBIIQDK-JXJNQWLDSA-N 270.373 0.501 0 50 CCAA Cc1cc(Cl)ccc1C(=O)N1CC(O)(c2nn[nH]n2)C1 1875326369 IHAOJQVKNUWLRC-UHFFFAOYSA-N 293.714 0.505 0 50 CCAA F[C@@H]1COC[C@@H]1NCc1cnnn1[C@H]1CCCNC1 1875392854 XIDLSWVBSQYIOY-WCQGTBRESA-N 269.324 0.029 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCNC(=O)C3)n[nH]c21 1875392676 NORWCUSMEBYXNK-SFYZADRCSA-N 278.312 0.004 0 50 CCAA Cn1cc([C@H]2OCC[C@@H]2Nc2nccn3cnnc23)cn1 886050428 OYHKLPURXLQJBC-WDEREUQCSA-N 285.311 0.800 0 50 CCAA C[C@@H]1CN(C(=O)C2CN(C3CCOCC3)C2)CC[C@H]1O 897453578 OQWDEGYPAKUILV-BXUZGUMPSA-N 282.384 0.327 0 50 CCAA Cn1cc(C(=O)N2CCCC[C@@H]2C(=O)O)ccc1=O 158495209 FMRGETABUYJOGK-SNVBAGLBSA-N 264.281 0.465 0 50 CCAA CC1(C)C[C@@H](c2nc([C@@H]3COCCN3)no2)CNC1=O 2325812359 XCTLPXMUIAUWLS-BDAKNGLRSA-N 280.328 0.360 0 50 CCAA COC(=O)C1=NN(C(=O)c2cccc(OC)c2)[C@@](C)(O)C1 291896 BUZXLCLZKHSHMU-AWEZNQCLSA-N 292.291 0.779 0 50 CCAA CCNc1nc(NCC)nc(Oc2ccc(=O)n(C)n2)n1 310089 HTVSVHLBRAEKKN-UHFFFAOYSA-N 291.315 0.621 0 50 CCAA CC1(C)O[C@@H]([C@H](O)[C@H]2COC(C)(C)O2)[C@@H](CO)O1 1318783 CKMMCZAVXJINCZ-ZYUZMQFOSA-N 262.302 0.011 0 50 CCAA in-vitro CCCN1Cc2nnc(CCCO)n2[C@H](C)C1=O 2356137716 WWDBLEVTNQDXGB-SECBINFHSA-N 252.318 0.516 0 50 CCAA NCC(=O)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356146156 UZCDFVXAGCFTCY-CYBMUJFWSA-N 251.330 0.091 0 50 CCAA COC(=O)[C@@H]1COCCN(Cc2ccn3ncnc3c2)C1 2356152344 ZXKYKTYAURQNEA-LBPRGKRZSA-N 290.323 0.351 0 50 CCAA Cn1cnnc1CN1CCC[C@@]12CCCN(C1CC1)C2=O 2356164696 CUAIIANDLUGYAX-HNNXBMFYSA-N 289.383 0.935 0 50 CCAA CC[C@@H](CO)NC(=O)C(=O)NCc1ccc(Cl)cc1 2854043 AXFZBIYCMWWHHP-NSHDSACASA-N 284.743 0.843 0 50 CCAA C[C@H](NC(N)=O)C(=O)N1CCCCC[C@H]1c1ncon1 346591705 MFNZZJBGJXVFIG-IUCAKERBSA-N 281.316 0.570 0 50 CCAA COc1ccccc1OCCN1C[C@@H](OC)C[C@H]1C(N)=O 344512057 MMRNBWBDPGSASV-RYUDHWBXSA-N 294.351 0.649 0 50 CCAA CCO[C@H](C)c1ncc(C(=O)NCCn2cnnn2)s1 1362474058 AQAFBFQXPIIZBB-MRVPVSSYSA-N 296.356 0.657 0 50 CCAA O=C(Nc1cnc2n1CCCC2)c1cc(=O)[nH]c(O)n1 67727027 FBIHXHNSUZDILB-UHFFFAOYSA-N 275.268 0.261 0 50 CCAA O=S1CCN(c2nc(Cl)nc3[nH]c(O)nc23)CC1 1363737705 YCEQPWMCEICJMO-UHFFFAOYSA-N 287.732 0.281 0 50 CCAA CCOCCC(=O)N1CC[C@]2(CCCN(C)C2=O)C1 67588778 ANVNWIGUPVLIII-CQSZACIVSA-N 268.357 0.884 0 50 CCAA CC(C)OC(=O)N1CCc2c([nH]c(N)nc2=O)C1 215665564 GMYZAKFJCHHPSA-UHFFFAOYSA-N 252.274 0.255 0 50 CCAA Cc1cc(C(=O)N(C)[C@@H]2COC[C@H]2O)c2cnn(C)c2n1 329355998 FRRUXSMMMVCXHM-VXGBXAGGSA-N 290.323 0.108 0 50 CCAA C[C@H](CO)N1CCCN(C(=O)Cc2ccncc2)CC1 364208934 ASHRZNLQQQGBOA-CYBMUJFWSA-N 277.368 0.539 0 50 CCAA CNc1cc(-c2c(C)[nH]c(=O)[nH]c2=O)c2cc[nH]c2n1 72478664 BQOHQXNDQCXHPP-UHFFFAOYSA-N 271.280 0.957 0 50 CCAA CSc1ncccc1C(=O)NCCN1CCNC1=O 219882565 LGTFYAJRYSYOOE-UHFFFAOYSA-N 280.353 0.559 0 50 CCAA N[C@@H]1CCCN(C(=O)c2cccc(-n3cncn3)c2)C1 158495089 SRUYGVRWWVTSBI-GFCCVEGCSA-N 271.324 0.831 0 50 CCAA C[C@H]1OCC[C@]12CN(C(=O)NCc1ccn(C)n1)CCO2 332933111 JGVAQZGEQQIDQJ-RISCZKNCSA-N 294.355 0.510 0 50 CCAA O=c1c2cccc(F)c2ncn1C[C@H]1COCCO1 43125039 BUSGHAXDEJDGGB-VIFPVBQESA-N 264.256 0.951 0 50 CCAA CN(C)C(=O)c1ccc(CN2CC(F)(F)C[C@@H]2CO)[nH]1 372636475 FKGBLQDEZJREEH-SNVBAGLBSA-N 287.310 0.918 0 50 CCAA O[C@@]1(CNCc2cnn3ccccc23)CCCNC1 72419987 FABNGBZXRSQSGY-AWEZNQCLSA-N 260.341 0.538 0 50 CCAA OCc1ccc(CN2CC[C@@](O)(c3c[nH]nn3)C2)cc1 284473145 AKPCEXVWUPPIPT-AWEZNQCLSA-N 274.324 0.391 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)C1[C@@H]2CCCC[C@@H]12 227192400 BNPAZONSIXUGTQ-BBBLOLIVSA-N 253.298 0.735 0 50 CCAA O=C(NC[C@@H]1CCN(C2CCCC2)C1)c1cncc(=O)[nH]1 426534570 XYFVFRXFVUFWIA-NSHDSACASA-N 290.367 0.764 0 50 CCAA Cc1noc([C@@H](C)NS(=O)(=O)N(C)C(C)C)n1 338905407 VOLNVRVIXAJLGP-SSDOTTSWSA-N 262.335 0.614 0 50 CCAA Cc1nc(CNC(=O)c2cnc(N(C)C)nc2C)n[nH]1 95352342 NHNLPPZKINQCCO-UHFFFAOYSA-N 275.316 0.208 0 50 CCAA CC(=O)N1CCC(N2CCC3(CC2)[C@@H](O)C[C@H]3O)CC1 91965630 SNNVNYAHHRGHHQ-OKILXGFUSA-N 282.384 0.205 0 50 CCAA CN(C)Cc1csc(-c2cn(C[C@@H](O)CO)nn2)c1 91643561 OVIANNNQVSSGAA-SNVBAGLBSA-N 282.369 0.421 0 50 CCAA CC(C)[C@]1(O)CN(C(=O)CN2CCCN(C)CC2)C[C@H]1C 91820239 OERPBHFZEKPYIF-GDBMZVCRSA-N 297.443 0.489 0 50 CCAA CN(CC(=O)N[C@@H]1CCCC[C@H]1O)Cc1ccncc1 240825207 QOAZIWHNMDNUKA-ZIAGYGMSSA-N 277.368 0.933 0 50 CCAA CCc1noc(CN(CC)CC(=O)Nc2ccn(C)n2)n1 244691708 JHUUKWGUGPIGHH-UHFFFAOYSA-N 292.343 0.826 0 50 CCAA C[C@H](C(=O)Nc1nncs1)N(C)C1CCOCC1 244646876 GQSQYJVQLDHSKW-MRVPVSSYSA-N 270.358 0.976 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCC[C@H](Cn3cncn3)C2)C1 299740099 VQOHVSJYNIFELU-RWMBFGLXSA-N 277.372 0.644 0 50 CCAA O=C(NCc1noc(Cc2cccs2)n1)[C@@H]1C=CCN1 534589476 NMLMEOZZGOFNTI-JTQLQIEISA-N 290.348 0.866 0 50 CCAA C[C@@H](CN1CCOCC1)Nc1nnc2ccccn12 821903041 UUWSBSPXFHQBJP-NSHDSACASA-N 261.329 0.862 0 50 CCAA CCOC(=O)N1CC[C@@H](NCCc2nc(C)cc(O)n2)C1 584889466 GENJYFNKPLKWFB-LLVKDONJSA-N 294.355 0.854 0 50 CCAA CCn1ccc(C(=O)N(C)CCc2noc(C)n2)cc1=O 584893559 GOJCHHCANQKCKN-UHFFFAOYSA-N 290.323 0.874 0 50 CCAA CC[C@@H](NC(=O)CCn1cncn1)c1ncc(C)[nH]1 670468735 NOAFWZQXAJMHKK-SNVBAGLBSA-N 262.317 0.967 0 50 CCAA O=C1c2ccccc2C(=O)N1CCC[S@](=O)O 675060183 TXLQYMMJIJFVSQ-UHFFFAOYSA-N 253.279 0.894 0 50 CCAA OCC[C@H]1CN(c2ncc(F)cn2)CCN1CC1CC1 670448484 NGPDIWPJSNQLEH-ZDUSSCGKSA-N 280.347 0.899 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@H](c2ncc[nH]2)C1 1351373433 FVKZVODXFSTGGO-NSHDSACASA-N 276.340 0.760 0 50 CCAA COc1cc(NC(=O)[C@H]2C=CCN2)cc(-n2cnnn2)c1 952985565 FRUJPYYGYJUQEQ-GFCCVEGCSA-N 286.295 0.137 0 50 CCAA CN1C[C@H](NC(=O)c2nc[nH]c2C(F)(F)F)CC1=O 1433669492 KRFMGNXULRCJOS-RXMQYKEDSA-N 276.218 0.389 0 50 CCAA CN(C)[C@H]1CCCCN(C(=O)c2ccnn2C)C1 952983598 WCBJLXTUGVYNMQ-NSHDSACASA-N 250.346 0.976 0 50 CCAA Nc1ncccc1CNCCN1CCCC[C@@H]1CO 952980056 TXNUKOSLWFPLRR-CYBMUJFWSA-N 264.373 0.600 0 50 CCAA C[C@H]1CN(CCCn2cnnn2)CC[C@]1(O)C1CCC1 1565508869 VIUIBUMNUGODDE-GXTWGEPZSA-N 279.388 0.936 0 50 CCAA O=C(CN1Cc2ccccc2C1)N[C@H]1CCOC[C@@H]1O 1565512428 CBNLCVSCIRROMH-KBPBESRZSA-N 276.336 0.268 0 50 CCAA CC(C)[C@@H](CO)ONC(=O)[C@H]1CCCn2ncnc21 1468342959 HIYOMZFIGQTUEZ-VHSXEESVSA-N 268.317 0.220 0 50 CCAA O=C(c1ccc(F)c(O)c1)N1C[C@@H](CO)C[C@@H](CO)C1 215988696 VLSMVUHCOALOIH-AOOOYVTPSA-N 283.299 0.594 0 50 CCAA CNC(=O)N[C@@H]1CCN(C[C@@](C)(O)C(F)(F)F)C1 407958918 SCLXSFXYNAHTGA-VXNVDRBHSA-N 269.267 0.303 0 50 CCAA CN(C)C(=O)CC1CCN(C(=O)N=c2cco[nH]2)CC1 408207014 QIYUGMSMMMNOPN-UHFFFAOYSA-N 280.328 0.819 0 50 CCAA COC(=O)[C@H](NC(=O)C1=NN(C)C(=O)CC1)C(C)(C)C 169989303 YNMLETSUPVCTKJ-JTQLQIEISA-N 283.328 0.299 0 50 CCAA CCn1cnnc1C1CCN(C(=O)[C@H]2C[C@@H](N)C2)CC1 580715728 SFAZCKSUHHMYTH-TXEJJXNPSA-N 277.372 0.741 0 50 CCAA CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@H](C)S(=O)(=O)CC1 191727282 GHFFEBBLEQWIIL-SDDRHHMPSA-N 290.429 0.799 0 50 CCAA COc1ccncc1NC(=O)[C@@H]1CCN(C)C(=O)C1 194738025 XJHICERLTHJOQG-SECBINFHSA-N 263.297 0.897 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)Cc1ccc2c[nH]nc2c1 653557859 BBIRCOHNXYSMGX-GFCCVEGCSA-N 289.291 0.417 0 50 CCAA Cc1cnc(C(C)(C)NC(=O)c2ccc3c(c2)B(O)OC3)[nH]1 584996899 QSIIUVOJTHHUOK-UHFFFAOYSA-N 299.139 0.601 0 50 CCAA Cc1cc(CNC(=O)C(F)(F)C2(O)CCC2)n(C)n1 793476351 FAUGJFZBKUFFQL-UHFFFAOYSA-N 273.283 0.895 0 50 CCAA NC(=O)C12CC(CN1C(=O)c1cccc(C(=O)O)c1)C2 1616044442 JHYBIVCJZFPNFN-UHFFFAOYSA-N 274.276 0.475 0 50 CCAA COc1ccc(NC(=O)[C@@H]2COCCO2)c(C(=O)O)c1 110303343 QJOSZBRMIJIMNV-NSHDSACASA-N 281.264 0.747 0 50 CCAA COc1cccc(CN2CC[C@H](C(=O)O)[C@H](O)C2)c1OC 1704310894 VGWJAYIHQYPAFV-NWDGAFQWSA-N 295.335 0.971 0 50 CCAA O=C(NCc1cccs1)C(=O)NC[C@H]1CCCO1 2304568 JXALYTDSCMQQEM-SECBINFHSA-N 268.338 0.660 0 50 CCAA Cc1nnc(CN(C)C[C@H]2CCC(=O)N(C)C2)o1 1772810342 KQVGWBRPIUUPEQ-SNVBAGLBSA-N 252.318 0.678 0 50 CCAA C[C@@H]1C(=O)NCCN1C(=O)Cc1cnn2c1CCCC2 630903101 PMLGUXDOMOKTBE-SNVBAGLBSA-N 276.340 0.109 0 50 CCAA CN(CCNC(=O)[C@@H]1C[C@@H](O)CN1)Cc1ccc(F)cc1 237144509 YMVRSBYKSBQAMG-KGLIPLIRSA-N 295.358 0.097 0 50 CCAA CNC(=O)Cc1noc(CN2CCCc3occc3C2)n1 377597393 IMUSSCDCIUPBDR-UHFFFAOYSA-N 290.323 0.900 0 50 CCAA CC(C)[C@H]1CN(C(=O)CCc2cnn(C)n2)CCN1C 827491654 UJRWZQIOLSKMSH-CYBMUJFWSA-N 279.388 0.546 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCCC[C@H]1C(=O)CC 860491654 RVNKRRYRNUYZFA-NSHDSACASA-N 266.341 0.991 0 50 CCAA O=C(/C=C/c1cnc[nH]1)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12 1875271187 XESVXKQDGUYENJ-NRHTUTJMSA-N 261.281 0.648 0 50 CCAA Cn1nc2c(c1CN=c1[nH]nc3n1CCCC3)CCC2 1875283797 BOBUPJYIQGYYAI-UHFFFAOYSA-N 272.356 0.871 0 50 CCAA Cc1cnn([C@@H]2[C@@H](Nc3ccc4nncn4n3)C[C@H]2O)c1 886079320 RQOQUZHNQGICJZ-OPQQBVKSSA-N 285.311 0.416 0 50 CCAA O=C(N[C@@H]1CCNC12CCC2)C1=C2CCN=C2NC=C1 1775961393 XODUSKXNYUMSNV-GFCCVEGCSA-N 272.352 0.603 0 50 CCAA CCNc1ccnc(N2CCCN(S(C)(=O)=O)CC2)n1 65470614 BNGPBICDZWAYCM-UHFFFAOYSA-N 299.400 0.380 0 50 CCAA CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](C)C(=O)O 1581875 REDPLVIOXBHSRP-ZPBHHCQCSA-N 276.292 0.753 0 50 CCAA C/C=C/C(=O)O[C@@H]1C=C[C@H](O)[C@@H](O)CCC(=O)O[C@H]1C 2332926209 UONWLSGBOITROJ-ROEDYUPPSA-N 284.308 0.478 0 50 CCAA CN(C)CCCNCCCNC(=O)c1ccncc1 1829984 DSTJJUGCXHOWDZ-UHFFFAOYSA-N 264.373 0.743 0 50 CCAA COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C 2559958 KRWPOGQDZNCNLK-YUMQZZPRSA-N 274.317 0.577 0 50 CCAA NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 2878223 HDRSROPGQIMMCL-JTQLQIEISA-N 268.338 0.573 0 50 CCAA CCCc1cnc(C)nc1NCCS(=O)(=O)NC 65428098 LYVDDMGHKZRTQT-UHFFFAOYSA-N 272.374 0.699 0 50 CCAA COc1cccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)c1 20719607 ZWXAWSKXXYZDJL-SNVBAGLBSA-N 287.279 0.809 0 50 CCAA CN(Cc1ccccc1-n1cccn1)C(=O)Cn1cnnn1 67771524 RBZYWKPLUUSTIM-UHFFFAOYSA-N 297.322 0.517 0 50 CCAA Cc1nc2c(c(NCc3nnc(C)[nH]3)n1)CCN(C)CC2 65458666 KWDLMJCMPDLFBB-UHFFFAOYSA-N 287.371 0.854 0 50 CCAA O=C(CO)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 72171152 DKSUFWHZYKGXBR-NSHDSACASA-N 266.272 0.035 0 50 CCAA Cc1csc(=O)n1CCC(=O)N(C)CC(=O)O 153125287 SPQZILZHTDBRSM-UHFFFAOYSA-N 258.299 0.151 0 50 CCAA C[C@H]1CNCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 125788613 SMSWXRIHFRINHI-ZPMKCOPCSA-N 273.336 0.619 0 50 CCAA CCCc1nnc(C(=O)N2CCc3[nH]nc(O)c3CC2)o1 71764225 GXYHZLQRDLQVSX-UHFFFAOYSA-N 291.311 0.692 0 50 CCAA C[C@@H](NS(C)(=O)=O)C(=O)NC1Cc2ccccc2C1 183597870 OJSWOCBQKMIMRE-SECBINFHSA-N 282.365 0.208 0 50 CCAA C[C@H](NC(=O)C1(S(C)(=O)=O)CC1)c1cncc(F)c1 332170474 TYSVENHCYGRALY-QMMMGPOBSA-N 286.328 0.975 0 50 CCAA C[C@H](C(=O)N1CC(O)(C2CC2)C1)N(C)CC(F)(F)F 368450048 PBMIWRJICAQFJS-MRVPVSSYSA-N 280.290 0.852 0 50 CCAA C[C@@]1(CNC(=O)CN2CCCCCCC2=O)CCC(=O)N1 333541930 SELKSODEQIJJMH-HNNXBMFYSA-N 295.383 0.564 0 50 CCAA CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)NCCCO)[nH]1 71524028 OYAIAMPEFFLBAL-RYUDHWBXSA-N 294.399 0.424 0 50 CCAA C[C@H]1COCC[C@@H]1CNC(=O)N1CCNC(=O)CC1 334747942 KIIAEEIYFVCDEA-WDEREUQCSA-N 269.345 0.191 0 50 CCAA O=C(c1ccc(SCCO)cc1)N1CCOC[C@H]1CO 222970035 HWBIYMHCXKDXKQ-GFCCVEGCSA-N 297.376 0.604 0 50 CCAA CC(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 220727458 JWFGCDQXXPBXRH-NXEZZACHSA-N 259.302 0.777 0 50 CCAA CN1CCN(C(=O)CCNC(=O)[C@H]2C[C@@H]2C2CC2)CC1 176069008 OETIWPVPQIWIBU-OLZOCXBDSA-N 279.384 0.313 0 50 CCAA Cc1noc(C)c1C(=O)N[C@H]1COC[C@@H]1N1CCCC1 223609070 BFCFUAQGRMQIRJ-RYUDHWBXSA-N 279.340 0.884 0 50 CCAA Cc1cnc(N2CCN(C)C3(CCNCC3)C2)nc1 95381967 CWUCYPDTRAXYQX-UHFFFAOYSA-N 261.373 0.659 0 50 CCAA CCCn1ncc(C(=O)N[C@@H](C(=O)O)[C@H](C)O)c1C 95502557 NJVUYANBFRWWLT-WCBMZHEXSA-N 269.301 0.165 0 50 CCAA C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N(C)C 529864821 XEGUBNUEHYWPTC-JQWIXIFHSA-N 278.356 0.668 0 50 CCAA Cn1ncc(Cl)c1C(=O)NC[C@H](CO)c1cccnc1 614879024 GTIHNUHLUVPSLS-SNVBAGLBSA-N 294.742 0.974 0 50 CCAA CC(C)N1CCC(CC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)CC1 92077758 GEMQISIPLWNCGS-SNVBAGLBSA-N 295.387 0.786 0 50 CCAA O=C(O)CCn1ccn2nc3c(c2c1=O)CCCC3 96516370 IZWSAMMPBPIEPZ-UHFFFAOYSA-N 261.281 0.850 0 50 CCAA CC[C@@H](C(=O)NCCc1nc(COC)no1)n1cccn1 91831117 WNBLUVRFKKTHPV-JTQLQIEISA-N 293.327 0.723 0 50 CCAA CN(Cc1nc2ncccn2n1)CC1CCOCC1 244866634 VZOCKPRGKWXPQL-UHFFFAOYSA-N 261.329 0.983 0 50 CCAA Cc1c(CNc2cc([C@H]3C[C@@H](N)C3)nc(N)n2)cnn1C 244874846 XIFMBHKKYSNPQJ-JGZJWPJOSA-N 287.371 0.918 0 50 CCAA C[C@@H]1CCCCN1S(=O)(=O)[C@H]1CCS(=O)(=O)C1 245228751 DZOCBKRQOKTLLY-ZJUUUORDSA-N 281.399 0.378 0 50 CCAA CC(=O)N1CC(Nc2ccc(-n3cnnc3)cc2)=CC1=O 253471777 ZNDILJDHIIIJMK-UHFFFAOYSA-N 283.291 0.952 0 50 CCAA C[C@@H](CN1CCOCC1)NC(=O)c1cncs1 298498353 GLAUHMFTWJQLAE-VIFPVBQESA-N 255.343 0.594 0 50 CCAA NC(=O)c1ncn([C@@H]2CCCN(C[C@@H]3CCCCO3)C2)n1 299738748 FYSYDIJIXGUPSN-NEPJUHHUSA-N 293.371 0.583 0 50 CCAA COCCC1(C(=O)N2CCO[C@@H](C(=O)O)C2)CCCC1 299745822 SQTQDAWOYJXYAM-LLVKDONJSA-N 285.340 0.895 0 50 CCAA Fc1cnc(NCCn2cncn2)nc1N1CCOCC1 534644127 IAAPPTVQRPXTBM-UHFFFAOYSA-N 293.306 0.156 0 50 CCAA Cc1nc(SCC(=O)N2CCC3(CCO3)CC2)n[nH]1 374467175 PAJUITNFRIEMPU-UHFFFAOYSA-N 282.369 0.987 0 50 CCAA COCCOC1CCN(C[C@@H]2CCC(=O)O2)CC1 824445129 XWNFRYWGZPFQLI-LBPRGKRZSA-N 257.330 0.819 0 50 CCAA Cc1cc(C)n(C[C@H](C)NCCc2nc(N)cc(O)n2)n1 670442358 ZPJCHDBEBWXBJP-JTQLQIEISA-N 290.371 0.799 0 50 CCAA O=C(O)[C@H]1CN(C(CO)CO)C[C@@H]1c1ccc(F)cc1 1565505960 JRFOWGQRXPLLHB-OLZOCXBDSA-N 283.299 0.279 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ccnn1C(C)C 1565513229 VOKAFBFGLISHRS-JQWIXIFHSA-N 267.329 0.998 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCC[C@H](O)C1 1565507157 YOOUGEYIVWATGP-OLZOCXBDSA-N 277.368 0.891 0 50 CCAA CC(C)[C@@]1(O)CN(C(=O)CN2CCCN(C)CC2)C[C@@H]1C 1565526300 OERPBHFZEKPYIF-HOCLYGCPSA-N 297.443 0.489 0 50 CCAA CC(=O)NC[C@H]1CN(C(=O)c2ccn(C)c2)CCO1 268681207 MJGRYHOJBQPGGE-LBPRGKRZSA-N 265.313 0.002 0 50 CCAA CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 192570585 OELVFEXHURXEMA-VIFPVBQESA-N 296.352 0.209 0 50 CCAA CNc1ncnc2c1cnn2CC1(CS(C)(=O)=O)CC1 583790631 KWMRGZSGNQTEIR-UHFFFAOYSA-N 295.368 0.693 0 50 CCAA CC[C@](C)(O)Cc1cn([C@H]2CCN(C)C2=O)nn1 585091530 UIQRCDXTJTUXLQ-JQWIXIFHSA-N 252.318 0.385 0 50 CCAA CC(C)(C)OC(=O)NC[C@@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 585139549 WWGZCQOWPXEVQH-CPCISQLKSA-N 293.341 0.399 0 50 CCAA Cn1cccc1C(=O)NCc1nnc(O)n1C1CC1 585130340 NMBDGCUCBNRFNN-UHFFFAOYSA-N 261.285 0.587 0 50 CCAA O=C(O)C[C@@H](NC(=O)c1cncc(O)c1)C(F)(F)F 698693866 XEYSCSJRMZZGDL-SSDOTTSWSA-N 278.186 0.923 0 50 CCAA Cc1cc(CC(=O)N[C@H]2COC[C@H]2O)cc(C)n1 1857706553 LBBUPJFUFCNABY-NWDGAFQWSA-N 250.298 0.117 0 50 CCAA CN(CCN(C)C1CCCC1)C(=O)c1cnn[nH]1 1506408009 AZVZXMYZRHNIEP-UHFFFAOYSA-N 251.334 0.751 0 50 CCAA O=C(CO)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709977914 WKGGZYUDOCBTRZ-STQMWFEESA-N 265.309 0.469 0 50 CCAA OC[C@@H]1CCCN1C[C@@H]1CCCN1C[C@@H](O)C(F)(F)F 221837663 RHFGWICGQBWPCV-SDDRHHMPSA-N 296.333 0.831 0 50 CCAA CCC[C@H]1CN(Cc2ncc[nH]2)C[C@@H]1NS(C)(=O)=O 222238157 UOIIWXMRMQCFQE-QWRGUYRKSA-N 286.401 0.559 0 50 CCAA CCOCC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 110899342 QNTOZVRTQYKSHP-CYBMUJFWSA-N 281.356 0.764 0 50 CCAA OC[C@@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)C[C@H]1O 403060 WACLJMMBCDNRJE-DSYKOEDSSA-N 268.298 0.130 0 50 CCAA CCCCOC(=O)CNc1nnc(=S)[nH]c1O 5080680 UWOCUWLSBMSEME-UHFFFAOYSA-N 258.303 0.995 0 50 CCAA CN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@@H]1CCN(S(C)(=O)=O)C1 329333918 XEYAWDOYSVEFLJ-GRYCIOLGSA-N 286.397 0.525 0 50 CCAA CN(CCC(=O)N(C)C)C[C@H]1CCC(=O)N(C)C1 1775979015 RWCZUFHSMORPSG-LLVKDONJSA-N 255.362 0.265 0 50 CCAA Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)c1 1772818799 YOKZZSIONHERQB-TXEJJXNPSA-N 262.309 0.063 0 50 CCAA NCCc1nc2ccccc2n1CCN1CCOCC1 19734138 YPKCCSWKUZTJSO-UHFFFAOYSA-N 274.368 0.870 0 50 CCAA NC(=O)[C@@]1(O)CCN(C(=O)[C@@H]2CCCc3ccccc32)C1 240902810 IVMQOWDZXIUNAT-CZUORRHYSA-N 288.347 0.555 0 50 CCAA CC(C)OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 253430343 JBAAZGDCBZABJS-UHFFFAOYSA-N 285.321 0.511 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC[C@@H]1CC(=O)N(CCC)C1 911173351 KVNBWTGGOUOIPF-LBPRGKRZSA-N 295.383 0.396 0 50 CCAA CC(C)C[C@@H](C)OC(=O)N1CC2(C[C@H](O)CNC2=O)C1 952884210 WAZIQZCAZBURPU-MNOVXSKESA-N 284.356 0.740 0 50 CCAA CC(C)c1nc(=NC(=O)N2CC[C@@H](CO)C2)s[nH]1 1875296751 NCUXNQULKXYUDP-MRVPVSSYSA-N 270.358 0.930 0 50 CCAA O=C(NOCCN1CCCC1=O)[C@H]1CCCc2ccnn21 1875285386 LXZYGXRMTUKZSM-GFCCVEGCSA-N 292.339 0.431 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CC(OC(F)F)C2)CC1 1875365464 FZPJYKRHUMEBFX-UHFFFAOYSA-N 288.294 0.861 0 50 CCAA C[C@@H](NC(=O)C[C@H]1CCCO1)c1nn(C)cc1O 1304545394 SKWABKZMMDNUHH-RKDXNWHRSA-N 253.302 0.872 0 50 CCAA CCn1nccc1CN1C[C@@H](OC)[C@H](c2cn(C)nn2)C1 886093901 KDZKSTUFHKQZHF-GXTWGEPZSA-N 290.371 0.646 0 50 CCAA O=C(CCn1cccc1)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 887914537 OLUYRVGWDGUYSH-TXEJJXNPSA-N 282.365 0.381 0 50 CCAA C[C@]1(C2CC2)COCCN1C(=O)CC1(O)CCOCC1 890593131 JCJWAQNSMRZIHY-CQSZACIVSA-N 283.368 0.946 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)Cc2cccs2)C1 630247982 BPRVCPNSDPPMCK-GFCCVEGCSA-N 269.322 0.993 0 50 CCAA COc1ccnc(C(=O)N2CCO[C@H](CC(=O)O)C2)c1 683316005 HDJKIAJJVNSSGX-SNVBAGLBSA-N 280.280 0.406 0 50 CCAA Cc1nn(C)cc1Cn1cc(S(C)(=O)=O)cn1 901603713 RUZOSOHJYIUZHT-UHFFFAOYSA-N 254.315 0.377 0 50 CCAA COCC[C@H]1CN(CCCS(=O)(=O)N(C)C)CCO1 824384098 DOOBLNKZBFIDGK-LBPRGKRZSA-N 294.417 0.005 0 50 CCAA NC(=O)NCCCCNC(=O)c1cccc2c[nH]nc12 2325733323 AHTROAQWASYIBJ-UHFFFAOYSA-N 275.312 0.741 0 50 CCAA O=C1[C@@H](N=c2[nH]nc(C3CC3)o2)C[C@@H]2CCCCN12 2325790498 QBVNKLPLQAUTNE-UWVGGRQHSA-N 262.313 0.934 0 50 CCAA N[C@H](Cc1ccccc1Cl)C(=O)Nc1cnn[nH]1 2325840451 AUGDWNHCAOYIFV-SECBINFHSA-N 265.704 0.967 0 50 CCAA NC(=O)Cc1ccc(NC(=O)CCC(=O)O)cc1 51685 XRKUGPOBEWLRBD-UHFFFAOYSA-N 250.254 0.518 0 50 CCAA Cc1nn2c(nc1=O)SC[C@@]2(O)c1ccccc1 314554 SEQOLXYTJADPPU-GFCCVEGCSA-N 261.306 0.746 0 50 CCAA CCOC(=O)C1=C(C)NC(=O)[C@H](C(N)=O)C12CCCC2 612538 KAENIIMPQYWELD-JTQLQIEISA-N 280.324 0.615 0 50 CCAA O=S1(=O)C[C@H](N2CCOCC2)[C@@]12C[C@H]1CC[C@H]2C1 101094012 WMRMKRNQLFZEAN-CYDGBPFRSA-N 271.382 0.674 0 50 CCAA Cc1ccc(C)c(N([C@@H](C)C(N)=O)S(C)(=O)=O)c1 10333142 IOGZUJNUYTVSAJ-JTQLQIEISA-N 270.354 0.943 0 50 CCAA CC(C)COc1cccc(NC(=O)NC[C@@H](O)C(N)=O)c1 225837056 YOAWFJSUQIBMLG-GFCCVEGCSA-N 295.339 0.689 0 50 CCAA Cc1ccc(CCNC[C@@]2(O)CNCCOC2)o1 77504436 IHTZEYLNGHVOBJ-CYBMUJFWSA-N 254.330 0.071 0 50 CCAA CN1CCO[C@H](C(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 229925228 RQHPOWFZIUMPGR-XQQFMLRXSA-N 268.357 0.487 0 50 CCAA O=C(CN1CCC[C@](O)(CO)C1)N1CCc2ccccc21 72165097 IVWKIVUJTWFLCE-MRXNPFEDSA-N 290.363 0.395 0 50 CCAA COc1cc(C(=O)OC[C@@H](O)CO)cc(OC)c1OC 71772168 VJOXHQFUIQIVNC-VIFPVBQESA-N 286.280 0.222 0 50 CCAA COCCCOC1CN(C(=O)c2n[nH]c(C)c2C)C1 331467180 GKWAJUFOPWFGCZ-UHFFFAOYSA-N 267.329 0.904 0 50 CCAA Nc1n[nH]c(C(=O)N2CCC[C@@H](c3ncn[nH]3)C2)c1Cl 215492703 LIIAPSWVEJHQLM-ZCFIWIBFSA-N 295.734 0.783 0 50 CCAA COC(=O)[C@@H]1C[C@@H](O)CN1Cc1nccn1C(C)C 171934063 CMHPKUISWKVTPJ-MNOVXSKESA-N 267.329 0.572 0 50 CCAA O[C@]1(Cn2ccnn2)CCCN(Cc2ccncc2)C1 285400529 GATVXLUESSLTHO-CQSZACIVSA-N 273.340 0.700 0 50 CCAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cncc(=O)[nH]1 426421357 XEFQRTPEJSHLGC-LBPRGKRZSA-N 299.286 0.422 0 50 CCAA CN1CCC(OCCCNC(=O)c2ccc(N)nc2)CC1 223693671 NIMCHKZTUREFNV-UHFFFAOYSA-N 292.383 0.895 0 50 CCAA O=C(CN1CCCC1=O)NCC1(CO)CCCC1 135147756 AQLQROKYWUERKK-UHFFFAOYSA-N 254.330 0.278 0 50 CCAA Nc1nc(N2CCN(CCO)CC2)nc2ccccc12 41146440 PSHMSCGMPCACJB-UHFFFAOYSA-N 273.340 0.326 0 50 CCAA Cc1[nH]nc2c1CN(C(=O)[C@H](C)N1CCN(C)CC1)CC2 426494458 WMCDKRDNIFGXNI-LBPRGKRZSA-N 291.399 0.239 0 50 CCAA O=C(c1cc(CO)ccn1)N1CCN(c2cccnc2)CC1 221308186 SUZDMKAFZLJYTQ-UHFFFAOYSA-N 298.346 0.931 0 50 CCAA COc1ccccc1N1C(=O)C[C@H](N2CCOCC2)C1=O 95496403 XQBCGZMSZJJRCG-LBPRGKRZSA-N 290.319 0.659 0 50 CCAA CN(CCO)CCNc1cc([C@H]2C[C@H](N)C2)ncn1 244794632 QQTILJLMMZBMGB-XYPYZODXSA-N 265.361 0.017 0 50 CCAA COC1(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)CCC1 299740627 ARLAEQSMZNFXIV-HTQZYQBOSA-N 294.273 0.678 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)Cc1c(C)n[nH]c1C 534662003 LSRHDFFASRMTAJ-RYUDHWBXSA-N 267.329 0.489 0 50 CCAA O=C(c1ccoc1)N1CCCN(C(=O)[C@H]2C=CCN2)CC1 534588814 LATKAVQKMFIQSF-CYBMUJFWSA-N 289.335 0.482 0 50 CCAA Cc1cccc([C@@H](NC(=O)CCn2cnnc2)C(=O)O)c1 534640798 VQXAYDVKCLEQRU-CYBMUJFWSA-N 288.307 0.919 0 50 CCAA COc1ccc(C[C@@H]2NC(=O)C(C)(C)NC2=O)cc1 824673659 UEICTTBONLCVKB-NSHDSACASA-N 262.309 0.631 0 50 CCAA CN1CCO[C@H](CNc2nc3ccccc3n2CCO)C1 828776496 YBKQEQPWGBLMEH-GFCCVEGCSA-N 290.367 0.771 0 50 CCAA CC1=NO[C@@](C)(C(=O)N(C)CCN2CCOCC2)C1 584901304 KGPBNNFDFUTXFM-CYBMUJFWSA-N 269.345 0.332 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ncccc1O 584888148 OLOVTRSYTVKKGX-ONGXEEELSA-N 265.313 0.236 0 50 CCAA C[C@H]1C[C@@H](C(=O)Nc2c[nH]nc2C(=O)O)CCO1 585134855 MHTIIKNYNSKBFW-BQBZGAKWSA-N 253.258 0.862 0 50 CCAA NC(=O)C1(NC(=O)c2cncnc2)CCCCCC1 584904103 QKTCGTGPOLWTOH-UHFFFAOYSA-N 262.313 0.785 0 50 CCAA CNC(=O)c1ccc(CNC(=O)N2C[C@H](C)O[C@H](C)C2)o1 584900985 DXVSDROHGAJLBK-AOOOYVTPSA-N 295.339 0.958 0 50 CCAA Cc1nn(C)c(C)c1CNCCN1CCCC[C@H]1CO 952974833 CJNNQWCEDUYXBB-AWEZNQCLSA-N 280.416 0.973 0 50 CCAA O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccn3)C[C@@]23C=C[C@H]1O3 100001714 XSEHIJHACSPQOL-ZAZJYDDPSA-N 286.287 0.448 0 50 CCAA in-vitro Cc1nsc(N2CCC[C@@H]2CS(N)(=O)=O)n1 408155736 TYEBZNZODFFLEM-SSDOTTSWSA-N 262.360 0.104 0 50 CCAA CNC(=O)[C@H]1CCC[C@H]1NCC(=O)N1CCCCCC1 408388575 VVMLIYCSWURQOQ-QWHCGFSZSA-N 281.400 0.893 0 50 CCAA Cn1cc(N2CCN(c3ncc(F)cn3)CC2)cn1 269482589 LZZXTIHBKVKOKM-UHFFFAOYSA-N 262.292 0.676 0 50 CCAA CCOc1ccc2c(c1)[C@@H](NS(N)(=O)=O)CCO2 186649783 WEMZZTJEPGEOFJ-JTQLQIEISA-N 272.326 0.702 0 50 CCAA COCCN1C(=O)C[C@@H](CNC(C)C)[C@@H]1c1cnn(C)c1 275593622 PWHAPLMKZZRVTA-SWLSCSKDSA-N 294.399 0.954 0 50 CCAA COc1ccc2c(c1)CCN2S(=O)(=O)C1COC1 276962067 VOQXEBAAQYSDNK-UHFFFAOYSA-N 269.322 0.786 0 50 CCAA O=C(NN1CCCCC1=O)[C@@H]1CSCCS1 170655059 DHXPBYCWYVTWLU-QMMMGPOBSA-N 260.384 0.879 0 50 CCAA CC[C@H](NCc1cccc(OC)n1)C(=O)N1CCOCC1 191299738 GQODJTYMPBVDOT-ZDUSSCGKSA-N 293.367 0.817 0 50 CCAA NC(=O)[C@H]1COCCN1C(=O)c1cccc2c1CCC2 192571807 ZKXZNDVNQROMQI-CYBMUJFWSA-N 274.320 0.502 0 50 CCAA Cc1ccc(CN2CC[C@](O)(Cn3ccnn3)C2)o1 671491556 ZVYXYCWCODOBOO-CYBMUJFWSA-N 262.313 0.817 0 50 CCAA O=C1C[C@@]2(CCN(C(=O)c3cnc4ccccn34)C2)CN1 568705705 SSWGJYXQMCCQEC-HNNXBMFYSA-N 284.319 0.687 0 50 CCAA O=C(O)CN1CCC(NC(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC1 1616129084 MCLBSFZVHLDGJA-ZJUUUORDSA-N 298.339 0.153 0 50 CCAA C[C@@H](CN1CCCCCC1)NCCN(C)CCO 1506417870 CBNPCJSWSVYZSB-AWEZNQCLSA-N 257.422 0.765 0 50 CCAA CCc1cc(N2CCC(CS(N)(=O)=O)CC2)nc(C)n1 607723317 YPCDCDSXXCSZHE-UHFFFAOYSA-N 298.412 0.852 0 50 CCAA O=C(COCc1ccccc1)N1CCC[C@](O)(CO)C1 220643727 YMNKECACXSUSRT-OAHLLOKOSA-N 279.336 0.549 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cc(C(C)C)on1 209931696 UXHPKHHKOCNBMZ-KOLCDFICSA-N 296.323 0.937 0 50 CCAA NC[C@H]1CN(C(=O)[C@H]2CCOc3ccccc32)CCO1 111184197 VCIBECYRKVTFEG-AAEUAGOBSA-N 276.336 0.739 0 50 CCAA Cc1cc(C(=O)N[C@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)on1 1857731150 ATCKWYPDVUIWDN-OBJOEFQTSA-N 291.351 0.965 0 50 CCAA O=C([C@H]1CC[C@H]2OCCN[C@@H]2C1)N1CCc2nocc2C1 1857740692 UZNFKWCESXHQFC-ZLKJLUDKSA-N 291.351 0.716 0 50 CCAA COc1cc(C(=O)N2CCN[C@@H](c3cccnc3)C2)on1 374327481 GUOKGYIYKNUXSE-LLVKDONJSA-N 288.307 0.865 0 50 CCAA C[C@@H](C(=O)N1CCO[C@H](Cn2cccn2)C1)n1cccn1 264719544 HEGXAZTYAAHUIJ-STQMWFEESA-N 289.339 0.568 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)Cc2cc(F)ccc2F)C[C@H]1O 1704305502 KJKOIAPTSZSKRL-CMPLNLGQSA-N 299.273 0.801 0 50 CCAA Cc1ccnn1CC(=O)N1CCc2occc2[C@H]1C(=O)O 910206032 QEJSHSFWFIDOKA-ZDUSSCGKSA-N 289.291 0.995 0 50 CCAA COCC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 918939206 JMUKIONVGMAYHB-UHFFFAOYSA-N 299.348 0.725 0 50 CCAA O=C1CC[C@H](COC(=O)c2nc[nH]c3nccc2-3)CCN1 850006788 CFTLOQAAJUBBMH-VIFPVBQESA-N 288.307 0.983 0 50 CCAA Cn1nc2c(c1S(=O)(=O)N[C@@H]1CC[C@H]1O)CCCC2 867430220 PIZUQMSLCBAGKN-GHMZBOCLSA-N 285.369 0.101 0 50 CCAA NC(=O)[C@H](NC(=O)c1csc(O)n1)c1ccccc1F 1875261659 JDGVORSJCVUSBV-SECBINFHSA-N 295.295 0.944 0 50 CCAA O=C(C[C@@H]1CSCCS1)NCCc1nc(O)n[nH]1 1875252348 MXGZOCGXDINPKL-SSDOTTSWSA-N 288.398 0.408 0 50 CCAA O=S(=O)(N[C@H]1CCO[C@]2(CCOC2)C1)c1cn[nH]c1 1875255984 JQVNNIBRUFNENF-GXSJLCMTSA-N 287.341 0.026 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCOC[C@@H]2C2CC2)C1 1875387167 SAFDIDUTJLVYKQ-GFCCVEGCSA-N 264.325 0.268 0 50 CCAA CO[C@@H]1CN(c2ncc(C)c(C)n2)C[C@H]1c1cn(C)nn1 886079954 FRZZTIUVKQBQOE-WCQYABFASA-N 288.355 0.841 0 50 CCAA CCc1[nH]nc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1Cl 1776002196 RCBBCKLEMQBHTR-SSDOTTSWSA-N 298.730 0.902 0 50 CCAA O=C(c1ccncc1Cl)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 670471191 AFYJLNPAPMOTSL-FQPOAREZSA-N 296.754 0.939 0 50 CCAA Cn1cnc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C 98085 HARFIXZCUOCVGL-UHFFFAOYSA-N 288.282 0.621 0 50 CCAA O=C(c1ccc2cncn2c1)N1CCC[C@@H]1c1nn[nH]n1 900391921 GBJVBTWCFWEBCX-LLVKDONJSA-N 283.295 0.825 0 50 CCAA C[C@@H](NC(=O)[C@@H](C(=O)O)C(C)(C)C)c1nnc[nH]1 230436745 PEYIJHSHWMPVOI-RQJHMYQMSA-N 254.290 0.729 0 50 CCAA C[C@@H](C(N)=O)N(c1cccc(F)c1)S(C)(=O)=O 67601857 VCIKBLLIGFHBIK-ZETCQYMHSA-N 260.290 0.466 0 50 CCAA CC1=C(C(N)=O)[C@@H](c2ccccc2F)N2NC=NC2=N1 71196 JLNCOCZOGKEENW-LLVKDONJSA-N 273.271 0.844 0 50 CCAA O=C(CCN1Cc2ccccc2C1)N[C@@H]1CCNC[C@H]1O 77488644 DNVCUSJXSCXBLD-HUUCEWRRSA-N 289.379 0.231 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)Cc1ccsc1 128281459 YGAAMUMMUVKWIW-JTQLQIEISA-N 269.322 0.993 0 50 CCAA COCCN1CN(c2nccc(C(F)(F)F)n2)CC1=O 253398494 WCGBXYIHNOWGPO-UHFFFAOYSA-N 290.245 0.748 0 50 CCAA CN1CCO[C@@H](CN(CC(=N)O)C(=O)Cc2ccoc2)C1 328624488 CJYAUXIVEPJCEC-GFCCVEGCSA-N 295.339 0.517 0 50 CCAA CC(C)c1cc(N[C@@H](CO)C(N)=O)n2nccc2n1 72148401 JXCYGKCRHCUTGM-VIFPVBQESA-N 263.301 0.111 0 50 CCAA COCCOc1nc(Br)nn1COC 217042368 BNDREJBQUXIWBL-UHFFFAOYSA-N 266.095 0.670 0 50 CCAA C[C@@H](NC(=O)C[C@H](O)Cc1ccccc1)c1nncn1C 362522515 XZYZJXHEIWNZHC-DGCLKSJQSA-N 288.351 0.986 0 50 CCAA CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(CO)o2)C1 72121909 OKGZBAPKXXYYED-AWEZNQCLSA-N 282.340 0.301 0 50 CCAA CC(C)C1(CNC(=O)N2CC(=O)N[C@H](C)C2)CC1 334793964 CSONBLPVJYMOBV-SNVBAGLBSA-N 253.346 0.953 0 50 CCAA NC(=O)[C@@H]1CCN(CCN2CCNC2=O)c2ccccc21 367358135 ZQEPRBIVXDZTBA-GFCCVEGCSA-N 288.351 0.491 0 50 CCAA Cc1n[nH]cc1CNC(=O)[C@]1(C)CCCNC1=O 336104665 ZJQVFUVBTSOVFH-GFCCVEGCSA-N 250.302 0.251 0 50 CCAA Cc1cc(N(C)C[C@H](O)CO)n2nc(C)cc2n1 72479075 CUPLXLJWHGQSGN-JTQLQIEISA-N 250.302 0.136 0 50 CCAA CCc1ncnc(N(CC)[C@@H]2CCNC2=O)c1F 281531031 AIQPDKYGXCRPBO-SECBINFHSA-N 252.293 0.893 0 50 CCAA O=C1[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1Cc1ccccc1 229784882 ZXGNECSWSPLTJY-DVZHBHJUSA-N 285.299 0.488 0 50 CCAA O=c1c2cc(F)ccc2ncn1CCN1CCC(O)CC1 43016896 SDYVVCWWKXGLSB-UHFFFAOYSA-N 291.326 0.992 0 50 CCAA Cc1noc([C@H]2CN(c3cnccn3)CCN2C)n1 284445264 FYQDEMNQWMXWLP-SNVBAGLBSA-N 260.301 0.661 0 50 CCAA Cc1nc(C)c(C(=O)N2CCO[C@@H](C(=O)O)C2)s1 43702362 RVLJPCVAFAWEOU-MRVPVSSYSA-N 270.310 0.686 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)CCc2cnn(C)c2)CC1=O 229332172 MHVVEBNBDUHPHK-KGYLQXTDSA-N 290.367 0.478 0 50 CCAA COCC[C@@H]1CN(C(=O)c2c(C)[nH]c(C)cc2=O)CCO1 426641329 GAXICXOWBOMELA-GFCCVEGCSA-N 294.351 0.869 0 50 CCAA Cn1ccnc1CC1CCN([C@H]2CCNC2=O)CC1 178199944 PMDJNYZBTWOADI-LBPRGKRZSA-N 262.357 0.563 0 50 CCAA COCC[C@]1(O)CCN(CCN2CCCC2=O)C[C@H]1C 91635923 AHZBIKNPIBRDJK-UKRRQHHQSA-N 284.400 0.718 0 50 CCAA COC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C 98044486 SLLHXKZAOBUAAN-IUCAKERBSA-N 274.317 0.592 0 50 CCAA CCn1cc(NC(=O)N[C@@H](C)Cc2cnccn2)nn1 96132443 RPDZFVVXWIQOSC-VIFPVBQESA-N 275.316 0.841 0 50 CCAA CSCCc1nc([C@@H]2CCOC2)n(CC(=O)O)n1 97636522 YVZCJKLNGYPXHG-MRVPVSSYSA-N 271.342 0.772 0 50 CCAA NCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccoc1)CC2 91493647 VHIKBIDKRHWFSZ-OLZOCXBDSA-N 294.351 0.611 0 50 CCAA Cn1ccnc1CNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 236082818 POLYTYSCEZWRES-DTWKUNHWSA-N 251.286 0.537 0 50 CCAA CCN1C[C@@H](c2nc(CCOC)no2)CCC1=O 96152534 QGTVMTATAWVESG-VIFPVBQESA-N 253.302 0.984 0 50 CCAA COC(=O)N1CCCC[C@H]1C(=O)N1CCc2[nH]cnc2C1 96166616 HSDSLTIQFBTMCX-LBPRGKRZSA-N 292.339 0.915 0 50 CCAA Cn1ccnc1C(=O)N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1 244673849 HWRAHIZRQMIBQK-JHJVBQTASA-N 292.383 0.289 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc3c(c2)CCNCC3)CCN1 295080421 RZTMTFOZNBFECI-GFCCVEGCSA-N 273.380 0.809 0 50 CCAA Nc1nccnc1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 538504236 KROQANAQGAZHAK-SECBINFHSA-N 294.311 0.155 0 50 CCAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cn[nH]c1 253378463 GJLZDZVQIJNZON-BPNCWPANSA-N 286.335 0.917 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C2(N)CCCCC2)CC1=O 299753162 XCWXBHHOMWJQNK-IJLUTSLNSA-N 279.384 0.774 0 50 CCAA CS(=O)(=O)CC1(CC(=O)N2CCC[C@@H]2C(=O)O)CC1 299746265 WFNYHSIKWORUTA-SECBINFHSA-N 289.353 0.277 0 50 CCAA COCc1noc(CNC(=O)c2n[nH]c(C)c2Cl)n1 534642961 HUBLVHPIMOYZRS-UHFFFAOYSA-N 285.691 0.831 0 50 CCAA CC(C)C[C@@H](NC(=O)NCCCO)c1ncnn1C 534634796 NAGDWQXROUOHGH-SNVBAGLBSA-N 269.349 0.584 0 50 CCAA Cc1cc(=O)c(C(=O)NC[C@@H]2CCCNC2)cn1C 534669166 YLTCENNGTPCRQK-LLVKDONJSA-N 263.341 0.423 0 50 CCAA CC(C)(CN1CCOCC1)NC(=O)C[C@H]1CCOC1 622124177 BHBOSNYLDGJGCH-GFCCVEGCSA-N 270.373 0.640 0 50 CCAA CCn1nc(C)c(C(=O)NCCn2cnnc2)c1C 299786904 QMRVZWMDOHRVTA-UHFFFAOYSA-N 262.317 0.541 0 50 CCAA CC(C)C[C@H]1C(=O)NC2(CCOCC2)C(=O)N1C 821434156 WCIVVQPFQZVZCW-JTQLQIEISA-N 254.330 0.539 0 50 CCAA COCCn1cnnc1CN(C)Cc1cc[nH]n1 824463973 LABNODCTNSCPSV-UHFFFAOYSA-N 250.306 0.280 0 50 CCAA Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H](O)C2 828636247 NXRVUNLGIJHXMV-LLVKDONJSA-N 286.335 0.595 0 50 CCAA CCOC(C)(C)C(=O)N1CC[C@H](N2CCN(C)CC2)C1 670435228 OYOLVHWVPBHNFI-ZDUSSCGKSA-N 283.416 0.650 0 50 CCAA N[C@@H]1CC[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)NC1 757214575 MPTXXDGECNEHEO-SGIHWFKDSA-N 251.296 0.996 0 50 CCAA COC(=O)C1CN(S(=O)(=O)c2ccccc2)C1 74937874 RJQDUKAKDSLZDL-UHFFFAOYSA-N 255.295 0.480 0 50 CCAA in-vitro COC[C@H](NC(=O)c1cn(C2CCNCC2)nn1)C(C)C 86698974 MJKYQHFCRYCLMW-ZDUSSCGKSA-N 295.387 0.603 0 50 CCAA O=C(NCc1cc(=O)[nH][nH]1)c1ccc2[nH]cnc2c1 170205459 ZXKDNCUEHLWWEJ-UHFFFAOYSA-N 257.253 0.509 0 50 CCAA CO[C@@H](C)[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 188790729 CABJVCRFGZAAJS-UTLUCORTSA-N 278.374 0.238 0 50 CCAA C[C@H](CN(C)C(=O)[C@]1(C(=O)O)CC1(C)C)C(=O)O 585095653 WZNAOHOKWFZRTH-KRTXAFLBSA-N 257.286 0.666 0 50 CCAA Cn1ccc(-c2noc([C@@H]3C[C@H](N)[C@H]4C[C@H]43)n2)cc1=O 1615058489 NTDRRCOGEFGHPD-YTWAJWBKSA-N 272.308 0.886 0 50 CCAA CO[C@@H]1C[C@@H](C(=O)N(C)Cc2ncc[nH]2)CC[C@H]1N 1857723704 RNCIOWJIFURMAV-HBNTYKKESA-N 266.345 0.511 0 50 CCAA Cc1nc(C)c(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)s1 1875246852 CGIVVMKYYSGGEU-MNOVXSKESA-N 281.381 0.707 0 50 CCAA O=C(CCCOCc1ccccc1)N[C@H]1CCNC[C@@H]1O 222247246 PGJMGWRMUKHOBW-GJZGRUSLSA-N 292.379 0.822 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCCCC1 225681372 WDBSFMAGIDPLAF-CHWFTXMASA-N 251.282 0.653 0 50 CCAA CCOCCO[C@H]1CCN(C(=O)c2cnccn2)C1 152788147 HCKNVVVGONGLCC-NSHDSACASA-N 265.313 0.744 0 50 CCAA CCc1nc(CN(C)CC[C@@H]2COCCO2)no1 1775983441 XQVFKMYZSGTVBD-SNVBAGLBSA-N 255.318 0.869 0 50 CCAA CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 15323923 ZTFJZPFCCXMFLB-UHFFFAOYSA-N 254.311 0.504 0 50 CCAA O=S1(=O)CC[C@H](S[C@@H]2CCS(=O)(=O)C2)C1 16661242 VRWOOWOJPSQXHK-OCAPTIKFSA-N 270.397 0.094 0 50 CCAA O=C1C[C@H]2CN(CCn3cc(Cl)cn3)C[C@H]2N1 1857728077 MMXXFYUCTDHQEN-WCBMZHEXSA-N 254.721 0.357 0 50 CCAA C[C@@H]1CN2C[C@H](NC(=O)[C@H](O)c3ccccc3)C[C@H]2CO1 1857734176 MPRPZLVNLRIBDY-REBRKWNGSA-N 290.363 0.698 0 50 CCAA CNS(=O)(=O)[C@@H]1CCN(Cc2cc(OC)cc(C)n2)C1 536041629 JTNGXQYMOOKMES-CYBMUJFWSA-N 299.396 0.522 0 50 CCAA C[C@@](N)(C(=O)N1CCC[C@H](Cn2cncn2)C1)C1CC1 237666687 YGQJRGWGHLNNIK-FZMZJTMJSA-N 277.372 0.644 0 50 CCAA CN(C)S(=O)(=O)NCc1cn2c(n1)CCCC2 263736432 DGPMKPJERAALEI-UHFFFAOYSA-N 258.347 0.115 0 50 CCAA Cc1ncoc1CNS(=O)(=O)N1C[C@H]2CC[C@H]1C2 907598833 XWTTYOULQWHHAI-UWVGGRQHSA-N 271.342 0.802 0 50 CCAA CCn1nc(C)c(C(=O)N2CC3(CNC(=O)O3)C2)c1Cl 857543179 RGKVZWKBTBPZFR-UHFFFAOYSA-N 298.730 0.799 0 50 CCAA O=C(Nc1cnc(N2CCNCC2)nc1)[C@H]1CCCO1 1875270235 WUGKQUZQLSZFHZ-LLVKDONJSA-N 277.328 0.004 0 50 CCAA C=CC(=O)N1CCC(C(=O)NC2CN(C(=O)CC)C2)CC1 1875370342 KYJADRUOOBGTIN-UHFFFAOYSA-N 293.367 0.148 0 50 CCAA Cc1nocc1C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 888095113 IZBSFRMDCNYAKC-GVXVVHGQSA-N 293.323 0.539 0 50 CCAA CNC(=O)CN(C)S(=O)(=O)C[C@@H]1CCC[C@H]1CF 1775989316 KIUIVUYYXOWLDP-UWVGGRQHSA-N 280.365 0.380 0 50 CCAA CCc1nsc(NC2CCN(S(C)(=O)=O)CC2)n1 301592091 QWMDCOUGVPVMFF-UHFFFAOYSA-N 290.414 0.936 0 50 CCAA C[C@H](C(=O)NC(C)(C)C)N1CCN(C2CC2)C(=O)C1 407966089 MJGKDEBAFUITME-SNVBAGLBSA-N 267.373 0.596 0 50 CCAA O=C(N[C@@H]1CCNC[C@H]1O)c1coc2ccccc12 77342749 MBYYGFVQPVSKRQ-VXGBXAGGSA-N 260.293 0.885 0 50 CCAA O=C(O)C[C@@H](NC(=O)[C@@H]1CCCOC1)C(F)(F)F 829375037 VAHHLNJCPVHZPC-RNFRBKRXSA-N 269.219 0.935 0 50 CCAA Cn1nc(Cn2c(=O)ccn2-c2cnccn2)cc1Cl 2325819919 VARLYVVPXLSWID-UHFFFAOYSA-N 290.714 0.864 0 50 CCAA Cn1cc(-c2cnc3c(N4CC[C@@H](O)C4)nccn23)cn1 2356154836 MCDRFCYBVOYFSD-LLVKDONJSA-N 284.323 0.701 0 50 CCAA CCCCNC(=O)NS(=O)(=O)c1ccc(C(N)=O)o1 3002766 VDESFQZDKMWCHE-UHFFFAOYSA-N 289.313 0.167 0 50 CCAA O=C1C[C@H](c2ccccc2)CN1C(=O)CN1CCOCC1 22590203 MUCRQCVBTMVFOY-AWEZNQCLSA-N 288.347 0.861 0 50 CCAA Cn1cnc(S(=O)(=O)N2CCC(CN)CC2)c1Cl 237815295 RLIIHUMGZXHLAH-UHFFFAOYSA-N 292.792 0.433 0 50 CCAA COCc1nc2n(n1)CCC[C@@H]2N[C@H]1C[C@H](C)N(C)C1 252477292 LNQJVUPBNCJHBC-SRVKXCTJSA-N 279.388 0.942 0 50 CCAA O=C(Cc1cccc(F)c1)N1CCC[C@](O)(CO)C1 72152390 ZKWSDLQIKQFQCI-CQSZACIVSA-N 267.300 0.714 0 50 CCAA CCn1cc(CNC(=O)[C@H](CCSC)NC(C)=O)cn1 216518202 SMHDWBYTWCXRLJ-LBPRGKRZSA-N 298.412 0.777 0 50 CCAA CCOc1cc(N2C[C@@H](O)C[C@@H]2c2nc(C)no2)ncn1 328613262 RJAXPHARUKSQFZ-VHSXEESVSA-N 291.311 0.879 0 50 CCAA COCCOCC(=O)N(C)[C@@H](C)c1ccncn1 219503841 KGUPWWSZQGZXRA-JTQLQIEISA-N 253.302 0.659 0 50 CCAA CNC(=O)Cn1cc(NC(=O)[C@](C)(O)C2CCC2)cn1 362577613 PZSCPDOXVLGGOB-CYBMUJFWSA-N 280.328 0.119 0 50 CCAA CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc[nH]n1 125588118 QCIMZMGNVFTEPG-CYBMUJFWSA-N 293.415 0.898 0 50 CCAA O=C(O)COc1cccc(CNC(=O)[C@H]2COCCO2)c1 262431732 KDICJSJPUALYMB-GFCCVEGCSA-N 295.291 0.182 0 50 CCAA Cc1cc(C(=O)NCc2ccc(C(=O)O)o2)nn1C 261559087 LZPXTMPSISAPEL-UHFFFAOYSA-N 263.253 0.950 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 374878022 NBUQFVRWEUBYQO-BAEOLTKYSA-N 265.357 0.374 0 50 CCAA C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(C)C2=O)c2nccn21 527989743 GFAYGMUAZNQJCW-OUAUKWLOSA-N 291.355 0.809 0 50 CCAA CCS(=O)(=O)CCN(C)C(=O)NCCc1cnc[nH]1 426470568 JRNBNVATWGVXIT-UHFFFAOYSA-N 288.373 0.028 0 50 CCAA COc1cccc(-c2cc3n(n2)[C@@H](O)CNC3=O)c1 98211109 PYVNPBFTQZQKRS-LBPRGKRZSA-N 259.265 0.793 0 50 CCAA CC(C)CN1CCN(C(=O)c2ccc[nH]2)C[C@@H](O)C1 97568866 TXKHIVPDOQNTIB-LBPRGKRZSA-N 265.357 0.789 0 50 CCAA CNC(=O)c1ccc(/C=C/C(=O)N2CC[C@H](N)C2)cc1 237174411 ZGZWIXWFQLSKCJ-LVDDQXARSA-N 273.336 0.619 0 50 CCAA O=C1CN(c2ncnc3c2Cc2ccccc2OC3)CCN1 96133675 HYCFCPOMWYHOFW-UHFFFAOYSA-N 296.330 0.896 0 50 CCAA O=C([C@H]1C[C@H]2CC[C@H]1O2)N1CCN(C2CC2)C(=O)C1 337139151 GIEYWTOSOFNBHE-GRYCIOLGSA-N 264.325 0.387 0 50 CCAA Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)n1 92431093 CAKCPDFXOXAYKC-LLVKDONJSA-N 263.297 0.165 0 50 CCAA Cc1cccc([C@@]23NC(=O)[C@H]4[C@@H]2[C@H]2C[C@H]4[C@H](O)[C@H]2O3)c1 244899969 ZTQGSZSIMVSPOG-QWLOCFLQSA-N 271.316 0.919 0 50 CCAA Cc1ccnc(NCCNC(=O)CN2CCOC2=O)c1 299767758 JTTQONDJRQFTDS-UHFFFAOYSA-N 278.312 0.370 0 50 CCAA Cc1ncn(C)c1C(=O)NCc1ccc(C(=O)N(C)C)o1 299795823 NHINRRVLWRRQMH-UHFFFAOYSA-N 290.323 0.953 0 50 CCAA Cc1cc(C(=O)NCCc2nc(N)cc(O)n2)cc(C)n1 584886320 QJOZPXMCZSDPPX-UHFFFAOYSA-N 287.323 0.749 0 50 CCAA COCCCn1cnnc1CNC1CCOCC1 584884983 GXYZDLBAHUBWKW-UHFFFAOYSA-N 254.334 0.583 0 50 CCAA CCCc1nc(N2CCO[C@@H](C(=O)N(C)C)C2)no1 670444302 BKPYVNQUVGKKKF-SECBINFHSA-N 268.317 0.316 0 50 CCAA Cc1nc(N2CCN3C(=O)OC[C@@H]3C2)c2cnn(C)c2n1 670449179 VPADBXPLEFZOPQ-VIFPVBQESA-N 288.311 0.313 0 50 CCAA CC(C)c1nnc(N2CCO[C@H](C(=O)N(C)C)C2)s1 670473453 SDBWPYAVCJYUAC-VIFPVBQESA-N 284.385 0.955 0 50 CCAA COC[C@@H]1[C@H](NC(=O)c2sc(N)nc2C)[C@H]2CCO[C@@H]12 1074590739 ZBWIYDKMUCIOOK-ZYUZMQFOSA-N 297.380 0.813 0 50 CCAA CC(=O)c1[nH]c(C)c(C(=O)NCc2nc(N)n[nH]2)c1C 952868109 BNMJIKQEZFJTDL-UHFFFAOYSA-N 276.300 0.464 0 50 CCAA O=C(NCCc1nc(=O)o[nH]1)[C@@H](F)c1ccccc1 790078753 GGAPKZIXJUOXBN-JTQLQIEISA-N 265.244 0.732 0 50 CCAA O=C1OCCN1C1CCN(CC[C@H]2COCCO2)CC1 1775983332 VVRFJKGDVKWZCB-ZDUSSCGKSA-N 284.356 0.709 0 50 CCAA CC(=O)NC1CCN(CC[C@H]2COCCO2)CC1 1775976974 DOLOYPSQUXXESA-ZDUSSCGKSA-N 256.346 0.392 0 50 CCAA O=C(Cc1cccs1)NC[C@]1(O)CCCNC1 216143450 MEGYZKWTCTUYRY-LBPRGKRZSA-N 254.355 0.521 0 50 CCAA Cc1ccc(CC(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)cc1 1857671584 JLHJOLHPZXBSPW-QWHCGFSZSA-N 258.321 0.884 0 50 CCAA Cc1cnnc(N2C[C@@H]3CCOC[C@]3(CO)C2)c1C 1857679572 NGHBHIRPYVHGOH-GXTWGEPZSA-N 263.341 0.929 0 50 CCAA Cn1nnnc1SCC(=O)Nc1cccc(C(=O)O)c1 614353 PAJSHWWBSNVYAT-UHFFFAOYSA-N 293.308 0.639 0 50 CCAA Cc1nnsc1CNC(=O)c1cccc(=O)[nH]1 223010326 CDLORVLJYYWDLI-UHFFFAOYSA-N 250.283 0.465 0 50 CCAA COc1ccc(C(N)=O)cc1S(=O)(=O)N1CCCCC1 13945910 LBKCHDSWMIFONW-UHFFFAOYSA-N 298.364 0.969 0 50 CCAA COCCNC(=O)c1ccc(CN2CCOCC2)cc1 19593577 RXSMWTQWBLLAAX-UHFFFAOYSA-N 278.352 0.895 0 50 CCAA Cc1ccc(C)c(NS(=O)(=O)c2cnc(O)[nH]c2=O)c1 4270303 NREGPKFPLROHCJ-UHFFFAOYSA-N 295.320 0.893 0 50 CCAA COCCn1ccnc1-c1nccn1[C@@H]1CN[C@@H](CO)C1 1857731229 CYZRHXSHLGIHRX-NEPJUHHUSA-N 291.355 0.288 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccncc1 643953954 GVUFPPYEBOZJAS-AWEZNQCLSA-N 277.324 0.449 0 50 CCAA CC[C@@H]1CN(c2cc(NCCO)ncn2)CC[C@]1(C)O 248169772 RAPLFCFARRTCTI-RISCZKNCSA-N 280.372 0.868 0 50 CCAA CCOCC(=O)N1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C 252481216 CISJZQJWEPXTCU-RHYQMDGZSA-N 285.340 0.733 0 50 CCAA COCC[C@]1(NC(=O)c2ncn(C(C)(C)C)n2)CCOC1 362213825 GYCZVQVFWPNMFN-AWEZNQCLSA-N 296.371 0.959 0 50 CCAA Nc1nccnc1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 591830209 JVYALWRSIKHRTF-UHFFFAOYSA-N 298.262 0.654 0 50 CCAA Cn1nnnc1NC(=O)[C@H]1OCCc2ccccc21 904195638 VKKCACIAXSKGNI-JTQLQIEISA-N 259.269 0.463 0 50 CCAA O=C(NCc1cn(C2COC2)nn1)c1ccccc1 1262382659 CLAHOROTIMHFLT-UHFFFAOYSA-N 258.281 0.779 0 50 CCAA O=C(N[C@@H]1C[C@]2(C(=O)O)C[C@H]12)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 1875299657 RDCFTAWNOKHOQO-DLWUKCBXSA-N 280.324 0.404 0 50 CCAA Cc1sc(CNC(=O)Cc2cncn2C)nc1C(=O)O 1875291913 PRHMIMWSGCRDRL-UHFFFAOYSA-N 294.336 0.742 0 50 CCAA NC[C@H]1CC[C@H](CNC(=O)c2ccnc(C(N)=O)c2)CC1 1875358952 OEXADLVUHYADEM-XYPYZODXSA-N 290.367 0.675 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(N(C)C)C3)n[nH]c21 1875394189 XYWITFHOWIUNLY-BDAKNGLRSA-N 278.356 0.818 0 50 CCAA O=C([C@@H]1CC[C@H]2COCC[C@@H]2C1)N1C[C@H](O)CO1 1875341999 SHMBMZVZSUFSSO-WYUUTHIRSA-N 255.314 0.574 0 50 CCAA CN(C)C(=O)C1CN(C(=O)c2cccc3[nH]nc(O)c23)C1 1875322597 YFUJRURKWIGBAV-UHFFFAOYSA-N 288.307 0.429 0 50 CCAA CC[C@H](NC(=O)c1cnc2ccc(C)cn12)C(N)=O 1875308509 JOJKFEZCFUHQPB-VIFPVBQESA-N 260.297 0.636 0 50 CCAA COc1cc(O)ncc1C(=O)N1CCC(=O)N2CCC[C@@H]21 888183688 IGBQTMXNYRCAFP-LBPRGKRZSA-N 291.307 0.590 0 50 CCAA OCCOCCN1CCN(Cc2ccc(F)cc2)CC1 23115107 GNFHSUXKYKWFFD-UHFFFAOYSA-N 282.359 0.952 0 50 CCAA COc1ccc(F)c(CNCCS(C)(=O)=O)c1 293441133 BYPRWVGCFYHXLE-UHFFFAOYSA-N 261.318 0.969 0 50 CCAA Cc1cc(NC[C@H]2CCCS(=O)(=O)C2)n2ncnc2n1 329462463 QCXVNIOZIUPNQA-SNVBAGLBSA-N 295.368 0.669 0 50 CCAA C[C@@H](O)CN1CCN(c2ccnc(N(C)C)n2)CC1 330365444 MESULRDLRQAGSZ-LLVKDONJSA-N 265.361 0.045 0 50 CCAA O=C(NC[C@H]1CCS(=O)(=O)C1)c1n[nH]c2c1CCCC2 642219158 DNHKTGAHKVOOQF-SECBINFHSA-N 297.380 0.453 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)N1CCc2ccccc2[C@@H](O)C1 2325788233 UQANDINSCBWZAZ-YUELXQCFSA-N 290.363 0.075 0 50 CCAA C[C@@H]1CCn2c(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cnc2C1 2325804983 HDOCBWWPISIXIZ-NXEZZACHSA-N 295.364 0.506 0 50 CCAA COC(=O)c1c(N)sc(C(=O)N2CCOCC2)c1C 1066259 BKSMZZIDDHJYFI-UHFFFAOYSA-N 284.337 0.898 0 50 CCAA C[C@H](NC(=O)CN(C)C(=O)OCc1ccccc1)C(N)=O 4762537 YPUZIIQWTXNBDP-JTQLQIEISA-N 293.323 0.245 0 50 CCAA CN(C)S(=O)(=O)N(C)c1ccc(C(N)=O)cc1 20245453 CCCQCCSQLHPJHV-UHFFFAOYSA-N 257.315 0.028 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)COCc1ccccc1 404354349 AEQFLJQRKKGVBV-STQMWFEESA-N 264.325 0.306 0 50 CCAA CCOc1ncccc1C(=O)NCCc1noc(CO)n1 219388527 MNFDOJAOHCNDTF-UHFFFAOYSA-N 292.295 0.328 0 50 CCAA CCNC(=O)[C@H]1CCN(c2cc(OC)ncn2)C1 65434607 LDZICWABRKOAIY-VIFPVBQESA-N 250.302 0.448 0 50 CCAA CC1=NN(C(=O)c2ccn(C)n2)[C@@](O)(C(F)(F)F)C1 374569 LNZXMALKDSSBHV-VIFPVBQESA-N 276.218 0.893 0 50 CCAA CC(C)N(CC(N)=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 230168150 VGHCSQJMUFWCJU-CHWSQXEVSA-N 297.399 0.352 0 50 CCAA CN1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C1=O 488245 CIWAQKMRYNKWFA-CYBMUJFWSA-N 269.304 0.893 0 50 CCAA biogenic O=C(CN1CC[C@@H](O)c2ccccc2C1)N1CCOCC1 374823071 VGTLAXYAWBYEOU-OAHLLOKOSA-N 290.363 0.785 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCN([C@@H]2CCOC2)CC1 367170844 DLKJVYAEBAMDRS-GFCCVEGCSA-N 263.341 0.870 0 50 CCAA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)c1ccc3n[nH]nc3c1)C2 216302020 TYFJFEFAULKCQN-MNOVXSKESA-N 299.334 0.699 0 50 CCAA COCC1(C(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)CCC1 370281488 ZXFPWULWCLHRNK-SNVBAGLBSA-N 294.355 0.531 0 50 CCAA Cc1ccc(C(=O)N[C@@H]2COC[C@H]2O)c2c1CCC2 333966348 QYTNXQPBLJPPAK-ZIAGYGMSSA-N 261.321 0.973 0 50 CCAA CCC(=O)Nc1nnc(S(=O)(=O)NC(C)C)s1 72438072 CLOYQUPRLCBUTO-UHFFFAOYSA-N 278.359 0.573 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccnnc2C)N(C)C1 284651137 NFHOYJDDTRYSSM-RYUDHWBXSA-N 278.356 0.576 0 50 CCAA Cc1c[nH]c(C(=O)N[C@@H]2CCOC[C@H]2OCCN(C)C)n1 223542416 QZYSMKXOSYOZPL-VXGBXAGGSA-N 296.371 0.184 0 50 CCAA O=C(NCCc1ccc(F)cc1)[C@H]1COCCO1 47953980 RHMIATFGJGFPRQ-GFCCVEGCSA-N 253.273 0.900 0 50 CCAA O=C(Cc1nc(O)n[nH]1)N(CC1CCC1)C[C@H]1CCCO1 426478675 GPMOMBAINLVGAH-LLVKDONJSA-N 294.355 0.861 0 50 CCAA COc1ccc(CCN2C(=O)COC[C@@H]2O)cc1OC 334162957 JBYNVBNPTXJPEX-ZDUSSCGKSA-N 281.308 0.424 0 50 CCAA CCN1C[C@@H](C(=O)NCc2ncc3c(n2)CCC3)CC1=O 95375318 LFNMIKXKNROUCM-NSHDSACASA-N 288.351 0.450 0 50 CCAA CCNC(=O)CCN(C)Cc1nncn1C(C)C 244678776 IJWCLPYGGOYZJU-UHFFFAOYSA-N 253.350 0.817 0 50 CCAA O=S(=O)(NCC[C@@H]1CCCOC1)N1CCCC1 528450766 PXBLIFOQBVKOMW-NSHDSACASA-N 262.375 0.733 0 50 CCAA N=c1[nH]c(=N)[nH]c(=N[C@@H]2CCCc3cc(F)ccc32)[nH]1 624077208 ZUUDAHYWMBACTH-SNVBAGLBSA-N 274.303 0.747 0 50 CCAA CC[C@H](NC(=O)CNC(=O)C(C)C)c1ncnn1CC 534657436 WZACYECPEFICOR-JTQLQIEISA-N 281.360 0.638 0 50 CCAA O=C(NCc1noc([C@@H]2CCCO2)n1)c1ccc(O)cn1 534650024 LWZHAQSPECHMGX-JTQLQIEISA-N 290.279 0.952 0 50 CCAA CN1CCC(O)(C(=O)NCc2cccc(CO)c2)CC1 534590935 FSMBABBIVTVSMH-UHFFFAOYSA-N 278.352 0.252 0 50 CCAA CCc1noc([C@H](C)NS(=O)(=O)c2cnn(CC)c2)n1 823603581 ROANJBYWYOJCLB-QMMMGPOBSA-N 299.356 0.888 0 50 CCAA Cc1nc[nH]c1C(=O)N1CCC[C@H](CN2CCOCC2)C1 584885095 NJLNVKMMQKVYGY-CYBMUJFWSA-N 292.383 0.903 0 50 CCAA COc1cccc2ncn([C@H](C)c3nc(N)n[nH]3)c(=O)c12 584884426 OBFRFJJMUHKFGR-SSDOTTSWSA-N 286.295 0.715 0 50 CCAA Cc1nnc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)s1 1076092196 JYUQRTFVOKCFKQ-MNOVXSKESA-N 292.368 0.784 0 50 CCAA O=C(C[C@H]1C=CCC1)N1CCN(c2nc[nH]n2)CC1 1331848700 DBNBILBTGJTJIH-NSHDSACASA-N 261.329 0.810 0 50 CCAA CS(=O)(=O)Nc1ccc([C@@H]2CC[C@H](N)CN2)cc1 757211913 KXBQXMYIHZQKFL-JQWIXIFHSA-N 269.370 0.810 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2)[C@@H](O)C1 1565514036 ZBOFFCNSMSIDNY-STQMWFEESA-N 278.308 0.104 0 50 CCAA CCN(CC)C(=O)[C@H]1CSCN1S(=O)(=O)C1CC1 408237617 TVWPJWIFFWCGLD-SNVBAGLBSA-N 292.426 0.722 0 50 CCAA CC(C)[C@@](C)(O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 408299913 FIDWYDOEGGGBDC-MWLCHTKSSA-N 263.359 0.039 0 50 CCAA CN1C[C@@H](C(=O)N(CC(C)(C)O)C2CC2)CC1=O 408375756 PQSTZGXSOCKHGU-VIFPVBQESA-N 254.330 0.227 0 50 CCAA O=C(NS(=O)(=O)c1cccs1)[C@@H]1C[C@@]12CCOC2 408476125 JSBPQZPAOKGPHZ-GZMMTYOYSA-N 287.362 0.980 0 50 CCAA CNC(=O)c1cncc(/C=C/C(=O)N2CCN[C@H](C)C2)c1 188429472 TXUYXNRUNUYMKM-PGLGOXFNSA-N 288.351 0.275 0 50 CCAA CNC(=O)[C@@H]1CCN(C(=O)c2cn(C)nc2C2CC2)C1 644898458 RIYJZUUHSCYAFJ-SNVBAGLBSA-N 276.340 0.506 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1nccn(C)c1=O 191911621 PPICIIOBLIIPLP-IUCAKERBSA-N 251.286 0.534 0 50 CCAA C[C@H]1CN(Cc2nnn(C)n2)CCN1CC(F)(F)F 193001458 AOGRGCMRLAPZHY-QMMMGPOBSA-N 278.282 0.279 0 50 CCAA Cc1[nH]nc2ncc(C(=O)N3C[C@@H]4CNC[C@@H]4C3)cc12 195243562 INDGLCCFXHFAOU-PHIMTYICSA-N 271.324 0.558 0 50 CCAA CC1(C)OC[C@H]([C@@H](O)CNc2cc(F)ncn2)O1 1615571071 FESMXRLKINQESK-JGVFFNPUSA-N 257.265 0.540 0 50 CCAA CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)N1CCCC1 1616094157 XULBMZJHONWZCY-QWRGUYRKSA-N 261.391 0.399 0 50 CCAA CNC1CC(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 1650384508 ZXJNVBSISFVUCY-NRXISQOPSA-N 273.380 0.815 0 50 CCAA CC1=C(C(=O)N2CC[C@@H](CN(C)C)C2)OCCO1 1506424885 CZFMEFGRUGUWRB-NSHDSACASA-N 254.330 0.675 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NCCc2nnc(O)n2C)n1 1506396690 WJGRWPKHHTZNKV-SNVBAGLBSA-N 278.360 0.555 0 50 CCAA CN1C(=O)NCC12CN(C(=O)CCc1cc(Cl)no1)C2 1857672523 FAGFVCMVUUVIBB-UHFFFAOYSA-N 298.730 0.497 0 50 CCAA Cc1ncccc1CN1C[C@H]2COC[C@@H](C1)C(=O)N2 1875249926 KCRIAAFDKZBMTM-OLZOCXBDSA-N 261.325 0.337 0 50 CCAA CCOC(=O)Cn1cnc2sc(C(N)=O)c(C)c2c1=O 149881 YMRYEGRVXODDCG-UHFFFAOYSA-N 295.320 0.428 0 50 CCAA C=CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1772718361 SQOHAYCMXHQNNA-UHFFFAOYSA-N 265.357 0.505 0 50 CCAA COCCn1cnnc1CN(C)CC[C@@H]1COCCO1 1775980060 SAJGJUPGCOUSLN-GFCCVEGCSA-N 284.360 0.162 0 50 CCAA Cc1cccc(C(=O)N2C[C@H]3[C@H](C2)C3(CO)CO)n1 1772704280 DOENQPBMCIDTON-QWRGUYRKSA-N 262.309 0.063 0 50 CCAA Cc1nc(C)c(C(=O)N2C[C@H]3[C@H](C2)C3(CO)CO)s1 1772706444 COSBORQQHDONMX-UWVGGRQHSA-N 282.365 0.433 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1ccccc1C(=O)O 200333308 KQXMGUTXHAINEI-UHFFFAOYSA-N 266.102 0.638 0 50 CCAA Cc1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1 4832546 ZNMOLDJXNUWRQY-UHFFFAOYSA-N 276.336 0.974 0 50 CCAA Cc1c(C(=O)NCCCc2nn[nH]n2)nc2ccccn12 1857714368 ZUVNUKGHYLKVPX-UHFFFAOYSA-N 285.311 0.518 0 50 CCAA C[C@H]1CN2C[C@@H](NC(=O)c3cncc(F)c3)C[C@H]2CO1 1857732971 PHJYXWFKKRTOCI-XDTLVQLUSA-N 279.315 0.812 0 50 CCAA CCCc1nc(CN2CC[C@](O)(Cn3ccnn3)C2)no1 671550932 KGIFKIUZUFXPOB-CYBMUJFWSA-N 292.343 0.251 0 50 CCAA Cn1nc(C(=O)NCc2cccnc2)c2c1CCNC2 19681696 ULOJEYGMCMGOSU-UHFFFAOYSA-N 271.324 0.391 0 50 CCAA O=C(CC1(O)CCC1)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12 907956556 CBMWGVNVENUUAT-YTWAJWBKSA-N 267.325 0.907 0 50 CCAA CCC[C@@H](NC(=O)c1ccnc(C(=O)O)c1)c1nn[nH]n1 829230506 KGCBVGYTYVNUMR-MRVPVSSYSA-N 290.283 0.564 0 50 CCAA C[C@@H](CC(=O)O)NC(=O)c1cc2c(s1)CNCC2 1875280049 RIRNGJAQBVHNCM-ZETCQYMHSA-N 268.338 0.987 0 50 CCAA C[C@@H]1CCCN[C@H]1C(=O)N1CC2(CCCNC2)C1 1875316798 HAYUBHLYJFUGLV-VXGBXAGGSA-N 251.374 0.587 0 50 CCAA C=CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](n3cccn3)C2)C1 1875387553 MZWKEICKQHVGOH-TXEJJXNPSA-N 274.324 0.347 0 50 CCAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)C1(O)CC1 1875395399 VZRMDIGRJQLJFJ-VIFPVBQESA-N 265.313 0.778 0 50 CCAA C=CS(=O)(=O)CCN1CC(=O)N[C@H]2CCCC[C@@H]21 1775994431 MJJRMFWBSWKEJW-QWRGUYRKSA-N 272.370 0.288 0 50 CCAA CCc1noc(CN(C)CC(=O)NCc2ccco2)n1 71832687 GTANFLQRTWLQQW-UHFFFAOYSA-N 278.312 0.973 0 50 CCAA NS(=O)(=O)c1cccnc1N1CCC[C@](F)(CO)C1 367795789 WXSURPMRDHWNOR-LLVKDONJSA-N 289.332 0.030 0 50 CCAA CNC[C@H](C)C(=O)N1CCC(CC(=O)NC)CC1 1329259999 ULEMEDBWDIRGIX-JTQLQIEISA-N 255.362 0.217 0 50 CCAA O[C@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@@H]1F 1615751467 ICOLMRFMVRPIJO-QWRGUYRKSA-N 253.273 0.972 0 50 CCAA O=C(NCCCO)[C@@H]1CC(=O)N(c2ccccc2)C1 2901093 LLKGTXYCRVNKGZ-LLVKDONJSA-N 262.309 0.538 0 50 CCAA COc1ccc(CNC[C@@H](O)c2nnn(C)n2)cc1OC 19691153 QRHPCOZHJFSQPE-SNVBAGLBSA-N 293.327 0.051 0 50 CCAA CN(C)S(=O)(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 221040052 ZDEBNQZASPDBNP-GUBZILKMSA-N 276.358 0.511 0 50 CCAA C/C(N)=C\C(=O)OCCCCOC(=O)/C=C(\C)N 101148028 DFUXQARZEWMFLQ-FIFLTTCUSA-N 256.302 0.578 0 50 CCAA C[C@H](C[S@](C)=O)NC(=O)N1CCC[C@@H](N(C)C)C1 248452365 GLCXYQICODZPRN-YRUZYCQGSA-N 275.418 0.489 0 50 CCAA Cc1nc2c(cc1C(=O)OC(C)C)c(=O)n(C)c(=O)n2C 67630940 GKPQWQVESCZTCQ-UHFFFAOYSA-N 291.307 0.506 0 50 CCAA biogenic O=C(CCN1CCCCCCC1)NCCOCCO 63846540 ZZGIKPPMNYBVKI-UHFFFAOYSA-N 272.389 0.768 0 50 CCAA C[C@@H]1COC[C@](CN)(CO)N1Cc1ccccc1 1535543701 PBQPLOLJXULZHN-OCCSQVGLSA-N 250.342 0.597 0 50 CCAA O=C(CO)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 72171151 DKSUFWHZYKGXBR-LLVKDONJSA-N 266.272 0.035 0 50 CCAA Cn1ccnc(N2CCC[C@@H](N[C@@H]3CCSC3)C2)c1=O 328630977 JZNONEUUXXKLMQ-VXGBXAGGSA-N 294.424 0.844 0 50 CCAA Cn1nncc1S(=O)(=O)N1CCC(C(F)(F)F)CC1 330160110 QWQSRULBSKDYFE-UHFFFAOYSA-N 298.290 0.778 0 50 CCAA CCc1cncc(C(=O)NCCc2nc(=O)o[nH]2)c1 280098887 MKZKSRJWYFTJBU-UHFFFAOYSA-N 262.269 0.293 0 50 CCAA CN[C@H]1CCCN(C(=O)c2ccccc2OCC(N)=O)C1 151005753 XXDFDHDJLJEWDC-NSHDSACASA-N 291.351 0.375 0 50 CCAA COc1ccc(NC(=O)[C@@H]2CNCC(=O)N2)c(C)c1 71681666 LLOMAQDXYPGWCH-NSHDSACASA-N 263.297 0.030 0 50 CCAA O=C(O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 261573689 MJHIRLKYVOGKPM-MYINAIGISA-N 267.203 0.233 0 50 CCAA COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)O 368401029 BGPIAMUKGJWSRM-SECBINFHSA-N 251.238 0.720 0 50 CCAA O=C(Cn1nc2ccccc2n1)NCCc1cnccn1 218952229 FZUWPZFVTYWOJL-UHFFFAOYSA-N 282.307 0.580 0 50 CCAA O=S1(=O)CC[C@@H](CN2CCCc3n[nH]cc32)C1 333316199 AEENXXCABMXUEM-VIFPVBQESA-N 255.343 0.597 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 334654744 OFSBAKXQAXCTRM-SECBINFHSA-N 263.363 0.072 0 50 CCAA Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H]1CCS(=O)(=O)C1 426546131 IXQXVFXUBMPVKU-NSHDSACASA-N 299.396 0.462 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2C)CC1 229828541 JWDAVAPNGJKADY-CWRNSKLLSA-N 295.427 0.507 0 50 CCAA Cc1ccn2c(C(=O)N3CCSCC3)nnc2n1 426514519 BGDSJVQPMQRDEU-UHFFFAOYSA-N 263.326 0.622 0 50 CCAA Cc1nc2ccccn2c1CC(=O)NCCc1cnn[nH]1 426428822 PLIQGMVZBMKQET-UHFFFAOYSA-N 284.323 0.662 0 50 CCAA O=C(c1ccon1)N1C[C@H](CO)C[C@H](CN2CCCC2)C1 91768884 QSQCGNJZTYBLEI-CHWSQXEVSA-N 293.367 0.841 0 50 CCAA Nc1nnc(CNC(=O)C[C@@H]2CCCOC2)s1 426734599 ZXEYIBZGAQNGPM-ZETCQYMHSA-N 256.331 0.553 0 50 CCAA Cc1nc(Cn2nc3ccccc3n2)n(CCO)n1 96164769 MYHBINQYFQQXAN-UHFFFAOYSA-N 258.285 0.372 0 50 CCAA COc1cc(C(=O)N(C)CC2(CO)CCOCC2)ccn1 91896667 ZLGXKEIQLBKHPR-UHFFFAOYSA-N 294.351 0.951 0 50 CCAA Cn1c(=O)cc(-c2ncnn2CCO)c2ccccc21 91289347 FAGMPTNJSJSDHO-UHFFFAOYSA-N 270.292 0.789 0 50 CCAA Cc1nccn1CCCN1CCOCS1(=O)=O 91713810 QWFIAXLSLGNVAI-UHFFFAOYSA-N 259.331 0.201 0 50 CCAA CC[C@@H](C(=O)NCCc1nncn1CC)n1cccn1 92038409 IGECLHRBZCOUKT-NSHDSACASA-N 276.344 0.805 0 50 CCAA O=C(NC[C@H](O)c1ccccc1F)[C@]1(F)CCNC1 299739257 MLWQHTQGDQLVQJ-AAEUAGOBSA-N 270.279 0.677 0 50 CCAA CCn1cc(CNC(=O)N2CC[C@H](CO)C2)cn1 357968775 QGTSHMLRRBFOKF-JTQLQIEISA-N 252.318 0.427 0 50 CCAA CCn1cc(CNC(=O)CCCn2cnnn2)c(C)n1 534634149 RBHVRBYYZJEDEN-UHFFFAOYSA-N 277.332 0.295 0 50 CCAA O=C(C[C@@H]1CNCCO1)NCc1nc2cc(F)ccc2[nH]1 269246034 DOKVKYNXPLGKCR-SNVBAGLBSA-N 292.314 0.697 0 50 CCAA COc1nc(C(=O)N(C)CCc2scnc2C)nn1C 1940195169 HENUKZUVCFHFID-UHFFFAOYSA-N 295.368 0.903 0 50 CCAA CC(C)N1CCCC[C@@H]1CCNC(=O)CNC(N)=O 827838956 UHKSRDJGGFPPGX-LLVKDONJSA-N 270.377 0.424 0 50 CCAA Cn1c(=O)c2ccc(Cl)cc2n(CC(=O)O)c1=O 725261637 XTGZEVLUAIVCDZ-UHFFFAOYSA-N 268.656 0.438 0 50 CCAA CCOCC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 584904122 RRWIKEHXYVJNNT-JTQLQIEISA-N 256.346 0.786 0 50 CCAA CCc1[nH]nc(C(=O)NCCCc2nn[nH]n2)c1C 584902523 NLIOKGVSYWPOLR-UHFFFAOYSA-N 263.305 0.156 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cccnc2O)[C@H]2CCO[C@H]21 1074617691 JVLFRUWGRYHOEW-NUGNTBJXSA-N 278.308 0.567 0 50 CCAA C=CC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 1336726443 UCZKVJDEEWIYMZ-UHFFFAOYSA-N 265.313 0.543 0 50 CCAA C[C@@H](C(=O)NCCN1C[C@@H]2CC[C@H](C1)O2)c1cnn(C)c1 1550811835 NZIZJUJOQAVYHN-BNOWGMLFSA-N 292.383 0.503 0 50 CCAA Cc1nc(C)n(CCCNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)n1 1565516643 XRKAMNQUVHTREB-NEPJUHHUSA-N 294.355 0.902 0 50 CCAA Cc1cc(CC(=O)N2CCC[C@H]([C@@H](C)N)C2)n[nH]1 269243368 DEIFLYUUNKZWNV-MNOVXSKESA-N 250.346 0.846 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CN1Cc1nccn1C(C)C 185537342 CMHPKUISWKVTPJ-GHMZBOCLSA-N 267.329 0.572 0 50 CCAA CC(C)(C)n1nnnc1CN1CCN2CCC[C@H]2C1 245227162 DJRGZYISUAXTOK-NSHDSACASA-N 264.377 0.708 0 50 CCAA C[C@H](O)[C@@H]1CCCN(C(=O)NCc2nc(N(C)C)n[nH]2)C1 637787333 VBBWDUWQEYTTBB-VHSXEESVSA-N 296.375 0.173 0 50 CCAA O=C(NCCc1nc[nH]n1)c1onc2c1CCCC2 669243972 NHSTUNFKVYIJGZ-UHFFFAOYSA-N 261.285 0.644 0 50 CCAA O=C(N=c1ccc(C2CC2)n[nH]1)NC[C@H]1COCO1 585120092 QKXAZAXFHSPLME-VIFPVBQESA-N 264.285 0.270 0 50 CCAA Cc1cc(C)nc(N2CCO[C@H](Cn3cncn3)C2)n1 595891945 VILIYKSIBAHWCT-LBPRGKRZSA-N 274.328 0.590 0 50 CCAA C1CC2(CCN1)CCN(CC[C@H]1COCCO1)C2 1775980026 SCWODILDEPZGLB-ZDUSSCGKSA-N 254.374 0.867 0 50 CCAA N=c1nc(CNC(=O)c2ccc(Cl)s2)[nH][nH]1 1857683703 VWKLANRETSPFPM-UHFFFAOYSA-N 257.706 0.862 0 50 CCAA CN1CCN(C)[C@H](CNc2nccnc2N(C)C)C1 1506399597 OXQGDLPAQIPDLH-LLVKDONJSA-N 264.377 0.200 0 50 CCAA C[C@H]1OCC[C@@H]1NS(=O)(=O)c1cncc(F)c1 408027995 NLSNKSIBHJSIDQ-XCBNKYQSSA-N 260.290 0.676 0 50 CCAA Cc1noc(-c2ccnc(N3C[C@@H](O)[C@H](F)C3)c2)n1 1529113168 CEOCGVODKJVQGG-NXEZZACHSA-N 264.260 0.959 0 50 CCAA Cc1cc(NC(=O)c2ccc(S(N)(=O)=O)cc2)no1 731920785 GNXKWLTULHVYFD-UHFFFAOYSA-N 281.293 0.883 0 50 CCAA CON(C)C(=O)CNC(=O)OCc1ccccc1 26401875 NWYPLKICSHBTAJ-UHFFFAOYSA-N 252.270 0.933 0 50 CCAA in-vitro CCNC(=S)N1CCN(C(=O)[C@@H]2CCCO2)CC1 459208 MZCXSZNDFJMJHM-JTQLQIEISA-N 271.386 0.204 0 50 CCAA O=S(=O)(CC1CCCC1)N1C[C@@H]2CNC[C@]2(CO)C1 1772710946 UGUBISOABGOUDZ-QWHCGFSZSA-N 288.413 0.020 0 50 CCAA COC(=O)CNC(=O)c1ccc(OC)c(OC)c1 5514187 FJKYJWSUSRUZHG-UHFFFAOYSA-N 253.254 0.607 0 50 CCAA biogenic,in-vitro CC[C@@]12COC(=O)N1CCN(C(=O)Cc1cc(C)no1)C2 1857677135 QJFUAHPGOJSVTO-CQSZACIVSA-N 293.323 0.969 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)c1n[nH]c2c1CCC2 225559793 RLFLVWNQSQOTPZ-UHFFFAOYSA-N 262.313 0.249 0 50 CCAA COc1ccc(C(=O)N2CCOC[C@H]2c2ncon2)cn1 329461057 SKMBCEURHIUWIF-JTQLQIEISA-N 290.279 0.687 0 50 CCAA CCOc1cc(N2CCC[C@](O)(CC(=O)NC)C2)ncn1 643720691 KZTKESMIFBYTID-AWEZNQCLSA-N 294.355 0.343 0 50 CCAA CC[C@@H](C)NC(=O)CN1CCN(C[C@@H](O)C(C)(C)C)CC1 240540870 GPVXDWNAHIKQRP-ZIAGYGMSSA-N 299.459 0.926 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC(=O)CC12CCC2 911996979 GLNXGVHDXQCULJ-UHFFFAOYSA-N 264.325 0.745 0 50 CCAA O=C(c1cn2cccnc2n1)N1CCc2nc[nH]c2C1 929081685 RSGRCKHNVZKNNE-UHFFFAOYSA-N 268.280 0.651 0 50 CCAA CN(C)[C@@H]1CN(Cc2ccnc(N)c2)C[C@@H]1n1ccnn1 859757842 PLOKHEHXMXSRTD-OLZOCXBDSA-N 287.371 0.242 0 50 CCAA CNC(=O)[C@@]12CCOC[C@@H]1CN(c1ncc(Cl)cn1)C2 952852388 HTHAFHMGVPBRCN-TVQRCGJNSA-N 296.758 0.719 0 50 CCAA CCCN1CCc2c(cnn2C)[C@H]1C(=O)N(C)C 1875288983 OCLZDRKRMSHCIY-LBPRGKRZSA-N 250.346 0.818 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@H](O)c1cccc(OC)c1 1875273138 AVPIASRGKXVIBG-WXJAXGNASA-N 279.292 0.574 0 50 CCAA C[C@@H](O)[C@@H](O)CN1CC[C@H](Oc2cccnc2N(C)C)C1 1875275020 OXPZCBXZAMOOSZ-AGIUHOORSA-N 295.383 0.342 0 50 CCAA CN(CCNc1ccccn1)S(=O)(=O)c1ncc[nH]1 1875297826 FDJCWIRGAFLZRB-UHFFFAOYSA-N 281.341 0.537 0 50 CCAA CC(C)N1C[C@](C)(CNC(=O)/C=C/CN(C)C)C1=O 1875309007 MGSFNMIUFZDLDA-UZYOAWRESA-N 267.373 0.477 0 50 CCAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1nccnc1N 248087544 BPDZCVYHKYEVAC-WDEREUQCSA-N 275.356 0.758 0 50 CCAA CCc1nc(C)c(Cn2cc(CNC(=O)NC)nn2)o1 899721734 LDZXKTDQFCCECU-UHFFFAOYSA-N 278.316 0.614 0 50 CCAA O=c1ccccn1Cc1cn(C[C@H]2CCCCNC2)nn1 899741232 NWAISKJFKDAMPG-ZDUSSCGKSA-N 287.367 0.878 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)NC[C@H]2CCCO2)C1 249059857 POJKQDAAJZRFOE-GHMZBOCLSA-N 262.375 0.732 0 50 CCAA CCCN1CCN(CC(=O)NCc2ccco2)CC1 20595116 GRSOXHGMMZKOAU-UHFFFAOYSA-N 265.357 0.923 0 50 CCAA Cn1nc(C(=O)NC[C@@H](C(=O)O)C2CCC2)ccc1=O 663147623 NFLYNKKKPOWJEB-SECBINFHSA-N 279.296 0.011 0 50 CCAA Cc1cc(Cl)ccc1C(=O)N[C@@H]1CNC[C@H]1O 534589468 AJPMYDFBFYSCMM-GHMZBOCLSA-N 254.717 0.711 0 50 CCAA C[C@H](N=c1[nH]c(=N)nc2[nH][nH]cc1-2)c1ccnn1C 1875305327 QRBNZKJHIUFTPY-LURJTMIESA-N 258.289 0.046 0 50 CCAA CCC[C@@](C)(CO)NC(=O)c1nc[nH]c2ncnc1-2 2325861402 OSUFUKJGJPGIAH-LBPRGKRZSA-N 263.301 0.585 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)[C@@H]1CCC[C@@H](N)C1 113214081 NXRFUKQHTPBOJA-NXEZZACHSA-N 253.346 0.241 0 50 CCAA C[C@H](NC(=O)[C@@H](C)N1CCNC(=O)C1)[C@H]1C[C@H]2CC[C@H]1C2 249501551 AMJBXTRYCBSRKL-ZUWCUPBKSA-N 293.411 0.748 0 50 CCAA C[C@H]1CCCN(C(=O)c2nc(Cn3cncn3)no2)C1 329676792 PSJDSZKUQYXCEM-VIFPVBQESA-N 276.300 0.582 0 50 CCAA COCCN1CCC(CN(C)C(=O)c2cn[nH]c2)CC1 215080367 FHPGZUXOTGGZRG-UHFFFAOYSA-N 280.372 0.840 0 50 CCAA CN1CCO[C@@H](CNC(=O)CCC(=O)NC2CCCC2)C1 124877288 NUEDSNOTNFPFES-ZDUSSCGKSA-N 297.399 0.272 0 50 CCAA Cc1nc(CC(=O)N2CCC(c3ncc[nH]3)CC2)n[nH]1 77407420 IOBCVZAMOMBZGT-UHFFFAOYSA-N 274.328 0.785 0 50 CCAA C[C@H]1CN(C(=O)C(=O)c2cccn2C)CCCO1 215833120 JOEJJSKDKXGEKY-JTQLQIEISA-N 250.298 0.845 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@@H]([C@@H](C)N)C2)CC1 156304523 RGUUUENOBBBPKO-NXEZZACHSA-N 253.346 0.098 0 50 CCAA CCCS(=O)(=O)CC(=O)N1CCC[C@H](C)[C@H]1CN 236782694 HACYJDGDTLOBET-WDEREUQCSA-N 276.402 0.397 0 50 CCAA O=C(NCCc1ccccc1F)N[C@@H]1COCC[C@H]1O 219567930 FDZJXLONFPKJHY-CHWSQXEVSA-N 282.315 0.817 0 50 CCAA CCOc1cc(N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)ncn1 521395154 REWWHTWTNSDKHB-SECBINFHSA-N 289.343 0.758 0 50 CCAA CC[C@@](C)(O)CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 158980150 FFGGSLPUAAKSTL-CQSZACIVSA-N 277.324 0.757 0 50 CCAA Cc1nn(C)c(Cl)c1CN1CCC[C@@](O)(C(N)=O)C1 284832577 MWDJUDXXKLSALB-LBPRGKRZSA-N 286.763 0.194 0 50 CCAA COCCN1CCC[C@H]1CNC(=O)c1cc(F)c[nH]1 339967422 XYKRRNLWPYGWMV-NSHDSACASA-N 269.320 0.994 0 50 CCAA COc1cc(F)c(C(=O)N[C@@H](CO)C(=O)O)c(F)c1 426634200 MXIBAKWMGKGTBB-QMMMGPOBSA-N 275.207 0.149 0 50 CCAA Cc1cc(C(=O)N2CC[C@@](C)(O)C2)c2cnn(C)c2n1 177344009 PJMLPNDKQSFVIC-CQSZACIVSA-N 274.324 0.874 0 50 CCAA O=C(CCc1ccncc1)N1CCC2(CC1)[C@@H](O)C[C@H]2O 91504324 OASJBFPWLYHKCL-OKILXGFUSA-N 290.363 0.749 0 50 CCAA O=C(O)CCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 178213083 TZPBWSMHSVHBGT-WDSKDSINSA-N 282.218 0.034 0 50 CCAA CC(C)=CC(=O)N1CCN(c2nnc(C)s2)C[C@@H](O)C1 97631890 YVYATNWAIMUYNZ-NSHDSACASA-N 296.396 0.822 0 50 CCAA CCN(CC)CCNC(=O)CCc1nncn1C 97717093 HPLUCCAFHATGBX-UHFFFAOYSA-N 253.350 0.206 0 50 CCAA NC(=O)c1coc(CNC(=O)c2occ3c2CCC3)n1 617487380 YPUCUVSVXMPKAM-UHFFFAOYSA-N 275.264 0.785 0 50 CCAA Cn1ncc(Cl)c1C(=O)N[C@H]1COC[C@@H]1N1CCCC1 534649430 JKNQJEGMWJPCLU-QWRGUYRKSA-N 298.774 0.667 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@H](CC(C)C)c1ncnn1C 534578701 PAHBUQWUPSYYAR-SECBINFHSA-N 277.332 0.759 0 50 CCAA CC(C)[C@H](NS(=O)(=O)c1cn(C)cn1)c1nccn1C 534584249 PIXOUIXCKGYEBY-NSHDSACASA-N 297.384 0.829 0 50 CCAA CN(Cc1cnc(N(C)CC(=O)O)nc1)C[C@H]1CCOC1 534649866 IBSOAPCXANVUTQ-LLVKDONJSA-N 294.355 0.466 0 50 CCAA Cc1noc(C)c1CC(=O)N1C[C@H](N(C)C)C[C@H]1C(=O)O 299766239 MHLXRAXBYGOWCS-PWSUYJOCSA-N 295.339 0.450 0 50 CCAA Cc1nncn1CCN1CCC2(CC1)CNCCO2 825297081 YBCQJPVDFKCJAB-UHFFFAOYSA-N 265.361 0.041 0 50 CCAA CC(C)CC(=O)N1CCN(C[C@H]2COCCO2)CC1 820912562 PTRSSEDSGRVGOQ-ZDUSSCGKSA-N 270.373 0.592 0 50 CCAA CCOC(=O)N1CC[C@H](NCc2nonc2C)C1 584889322 CIBNMEWBCCTGGW-VIFPVBQESA-N 254.290 0.698 0 50 CCAA CNc1cc(N2CCOC3(CCOCC3)C2)ncn1 1351990695 OYVSXVCMOSRQSB-UHFFFAOYSA-N 264.329 0.904 0 50 CCAA O=C(CCc1cnccn1)N1CCc2nnc(O)cc2C1 1467286729 YSYMNOZAPIRIMH-UHFFFAOYSA-N 285.307 0.490 0 50 CCAA N=c1nc(O)cc([C@@H]2CCN(CCn3cccn3)C2)[nH]1 630378809 LTUXTXWDITVMRH-SNVBAGLBSA-N 274.328 0.281 0 50 CCAA CC(C)NS(=O)(=O)N[C@@H](CCO)c1ccco1 274339164 ARNJYVIZPAAMNU-VIFPVBQESA-N 262.331 0.536 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1nnc[nH]1 277022330 BOQKSCGAOUVPMU-VHSXEESVSA-N 252.318 0.968 0 50 CCAA C[C@H](O)[C@@H]1CN(C(=O)N[C@H]2CCCn3nccc32)CCO1 637758665 DSJSKARFYIETIF-GVXVVHGQSA-N 294.355 0.509 0 50 CCAA CN(C[C@@H]1COc2ccccc2O1)C(CO)CO 65383671 YPAHUVZLQXDRAG-LLVKDONJSA-N 253.298 0.111 0 50 CCAA C[C@H](C(=O)NC[C@@H]1CCC[C@H]1O)c1cnn(C)c1 674250159 DCCNGOBWQIQMNB-JBLDHEPKSA-N 251.330 0.801 0 50 CCAA COc1cccc(CN2C[C@@H](OC)C[C@H]2C(N)=O)c1F 583617921 KLLCZVSUZUQFEQ-QWRGUYRKSA-N 282.315 0.909 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC[C@H](c2cnn(C)c2)C1 775459040 LTHLHHUIZOMGBW-LBPRGKRZSA-N 290.367 0.818 0 50 CCAA Cn1cc(CNC(=O)[C@@H]2CNCC23CCCCC3)nn1 1615554095 PWOSDRRPBNJQID-LBPRGKRZSA-N 277.372 0.601 0 50 CCAA C=CC(=O)N[C@@H](O)C(=O)NCCc1ccc(CC)cc1 1615586996 TZZXYGOXCVGSFI-HNNXBMFYSA-N 276.336 0.528 0 50 CCAA CC1=C(C(=O)N2CCOC3(CCNCC3)C2)OCCO1 1506399178 KLSJDYHKPHBMGQ-UHFFFAOYSA-N 282.340 0.246 0 50 CCAA CCc1ncncc1C(=O)N[C@H]1CCC(=O)N(C)C1 606312897 OAOCBXWEXOBUGL-VIFPVBQESA-N 262.313 0.390 0 50 CCAA CC1(C)C[C@@H](S(=O)(=O)NCCc2cnoc2)CO1 907386968 AUUWMHTVCOXVDW-SNVBAGLBSA-N 274.342 0.704 0 50 CCAA CO[C@H](C(=O)N1CC[C@H](C)C[C@H]1C(N)=O)C1CC1 408462744 AHLHLQYQYASRSN-LSJOCFKGSA-N 254.330 0.524 0 50 CCAA Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C 19909258 ARQQVCZFKCDIDU-UHFFFAOYSA-N 298.408 0.914 0 50 CCAA O=C(O)CC1(NC(=O)CCn2cnnn2)CCCCC1 223627344 PVOPDGBETSCRHN-UHFFFAOYSA-N 281.316 0.357 0 50 CCAA CC(C)OCC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C 365597111 VXSHITFHOBRFNX-CHWSQXEVSA-N 270.373 0.733 0 50 CCAA CCCC[C@H](NC(N)=O)C(=O)N1CC[C@H](C(=O)O)C1 261891578 UATSWBXLVYJRQF-IUCAKERBSA-N 271.317 0.147 0 50 CCAA C[C@]1(CNC(=O)[C@@H]2CSCN2)CCCC[C@H]1O 161939234 IEYSRVXBBJQVFK-HOSYDEDBSA-N 258.387 0.706 0 50 CCAA Cc1nc(C(=O)N[C@]2(C)CCOC2)ccc1C(=O)O 162175940 ACMQFIPQIVLDHX-CYBMUJFWSA-N 264.281 0.997 0 50 CCAA NC[C@@](O)(CS(=O)(=O)O)c1ccc(Cl)cc1 2170220 WBSMZVIMANOCNX-SECBINFHSA-N 265.718 0.374 0 50 CCAA in-vitro CCN(C(=O)c1cc(C(=O)OC)on1)c1cnn(C)c1 594401466 CCFYPLDZKLISSN-UHFFFAOYSA-N 278.268 0.861 0 50 CCAA COC(=O)c1sccc1S(=O)(=O)N1CCNCC1 12651965 OXJRZGREVONVSQ-UHFFFAOYSA-N 290.366 0.129 0 50 CCAA CCNC(=O)[C@H]1CCCN(C2CCN(C)CC2)C1 14972216 JXGRLWDWCQMTCG-LBPRGKRZSA-N 253.390 0.929 0 50 CCAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)C1Cc2ccccc2C1 1857670237 CFVWNUYHYBKKLJ-ZNMIVQPWSA-N 291.347 0.028 0 50 CCAA NC1(CNC(=O)[C@]23CNC[C@H]2CCOC3)CCCCC1 911652540 RZMGVUBZNFQDMF-DOMZBBRYSA-N 281.400 0.390 0 50 CCAA COc1cc(C(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)ccc1C 1875251323 YFXLULYVYCFKPU-OIMNJJJWSA-N 293.319 0.261 0 50 CCAA CCc1cnc(O)c(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)c1 614457283 YRWXAYHGDIXAIP-LDYMZIIASA-N 277.324 0.747 0 50 CCAA O=C(O)[C@H]1CCCCN1C(=O)c1ccnc2ccnn12 901495661 LVHIOBZSLXORFC-SNVBAGLBSA-N 274.280 0.809 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc(F)ccc1O)C2 1704316325 YCVCLPKUEQQEME-JQWIXIFHSA-N 294.326 0.934 0 50 CCAA O=C(CN[C@H]1CCC(=O)NC12CCC2)NCC(F)F 952845327 TWKXDWKNADBLOP-QMMMGPOBSA-N 275.299 0.159 0 50 CCAA O=C(C[C@@H]1CCC[C@H]1O)NCc1nc(C(F)(F)F)n[nH]1 1875293529 TYPBRNOSHGAHTI-NKWVEPMBSA-N 292.261 0.991 0 50 CCAA C[C@H](ONC(=O)[C@@]12CCCCC(=O)N1CCC2)C(=O)O 1875334357 KYLRBRDZVXENFT-ZANVPECISA-N 284.312 0.443 0 50 CCAA C=CC(=O)N1CCC(N2CCn3ccnc3C2)CC1 888098810 RRNHHGFVEQOXNS-UHFFFAOYSA-N 260.341 0.876 0 50 CCAA NC(=O)C1CN(C(=O)NCc2ccccc2F)C1 1775989490 BPNSEVUQPPBUHN-UHFFFAOYSA-N 251.261 0.452 0 50 CCAA OCCOCCN1CCN(C[C@H]2CC=CCC2)CC1 22027680 KOOUCMCAUHLOOH-HNNXBMFYSA-N 268.401 0.969 0 50 CCAA Cn1c(CN)nnc1SCC[C@H]1CCS(=O)(=O)C1 426409536 UNASETUCZQESCE-QMMMGPOBSA-N 290.414 0.191 0 50 CCAA O=C(NCCCc1nn[nH]n1)C1Cc2ccccc2C1 426505895 UBGNOKVRSIOPHC-UHFFFAOYSA-N 271.324 0.664 0 50 CCAA NS(=O)(=O)c1ccccc1NCCC1(CO)CC1 395924270 ZJPYPHDRXVOREI-UHFFFAOYSA-N 270.354 0.909 0 50 CCAA C[C@@]1(CC(=O)N2CC(c3cc[nH]c(=N)n3)C2)CCCO1 2325781430 ORQRSKYTDROBPA-AWEZNQCLSA-N 276.340 0.774 0 50 CCAA C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N[C@@H](CCO)C(=O)O)C1 2325829349 HJMMLZSIOAJYNX-JEZHCXPESA-N 281.312 0.027 0 50 CCAA Cn1nnc(CNS(=O)(=O)c2cccc3ccoc23)n1 1475256559 DCMNXGQEWYZPRH-UHFFFAOYSA-N 293.308 0.435 0 50 CCAA N[C@@](C(=O)O)(c1ccc(P(=O)(O)O)cc1)C1CC1 1894000 IGODGTDUQSMDQU-LLVKDONJSA-N 271.209 0.138 0 50 CCAA in-vitro COc1cc2c(cc1-c1cc(=NCCO)[nH]cn1)OCO2 2356163081 WSFMAUARZAGDGD-UHFFFAOYSA-N 289.291 0.707 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@H]2C3C=CC(C=C3)[C@@H]21 101093504 HWOQDVZSTNSDCO-FUHXVFBWSA-N 269.304 0.619 0 50 CCAA Cc1nc([C@H]2CCCN2CC(=O)NC[C@H]2CCCO2)no1 248058094 UYZYEGFWMNEVJL-VXGBXAGGSA-N 294.355 0.810 0 50 CCAA O=C1c2ccccc2C(=O)N1CCCn1cncn1 27897321 OTWQARFFJWPPCW-UHFFFAOYSA-N 256.265 0.964 0 50 CCAA O=C1NC(=O)[C@@](c2ccccn2)(C2CCNCC2)N1 67689094 GXGAGRCWOWLKNE-ZDUSSCGKSA-N 260.297 0.116 0 50 CCAA COc1cc(N[C@H]2CC(=O)N(C(C)C)C2)ncn1 32508975 CAFQPXZRBHVXAI-VIFPVBQESA-N 250.302 0.906 0 50 CCAA COc1cnc(NC(=O)NC[C@H](C)CCO)nc1 252510915 ZRHHXTLFUFHVIQ-MRVPVSSYSA-N 254.290 0.625 0 50 CCAA O=C([C@@H]1NCCc2[nH]cnc21)N1CCSCC1 72420313 DCOBUIXBYIZPRP-SNVBAGLBSA-N 252.343 0.172 0 50 CCAA NC(=O)NCC(=O)N[C@H](Cn1ccnc1)c1ccccc1 215423204 FBZXWHWEDRKRQI-GFCCVEGCSA-N 287.323 0.409 0 50 CCAA O=C(CN1CCN(C(=O)c2ccco2)CC1)NC1CC1 35889429 ZUHHVINVGZUENF-UHFFFAOYSA-N 277.324 0.316 0 50 CCAA CN(C)C(=O)CCNC(=O)N[C@@H](CO)c1ccccc1 123111833 UIXYWEIIKZTTFV-LBPRGKRZSA-N 279.340 0.498 0 50 CCAA Cc1nc(N)ncc1C(=O)N(C)CCc1ncon1 216256802 FNHYSZWRCHCNBW-UHFFFAOYSA-N 262.273 0.065 0 50 CCAA CCC[C@@]1(CO)CCN(C(=O)CN2CCOCC2)C1 365608781 KPVXHAQMUAJKOZ-CQSZACIVSA-N 270.373 0.330 0 50 CCAA O=C(NC[C@H]1CCCS1(=O)=O)c1cc(F)c[nH]1 336616847 ALDNJYHWTAXGGQ-MRVPVSSYSA-N 260.290 0.461 0 50 CCAA CO[C@@H]1COC[C@@H]1NC(=O)NC1Cc2ccccc2C1 333667233 XNBGFYYPIATEBP-UONOGXRCSA-N 276.336 0.867 0 50 CCAA Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[C@@H]3N)CCO2)cn1 237708541 CGJGMTLYQSODKN-AVGNSLFASA-N 278.356 0.447 0 50 CCAA Cc1nn(C)cc1C(=O)N1CCC2(CC1)CC(=O)N(C)C2 72477517 ODRWTEHLRLOWKW-UHFFFAOYSA-N 290.367 0.813 0 50 CCAA O[C@@H](CNc1ncnc2c1CCNCC2)C(F)(F)F 72412385 JRMFWCLIUHNUJI-VIFPVBQESA-N 276.262 0.500 0 50 CCAA CSCc1ccc(N2CC[C@@H](N)[C@H](O)C2)nc1 82147671 XVMDBVXHTKJWGT-GHMZBOCLSA-N 253.371 0.843 0 50 CCAA CCN1CCCN(C(=O)NC[C@H]2CCCN2CC)CC1=O 241926419 UGBXZJSGWQPRCX-CYBMUJFWSA-N 296.415 0.735 0 50 CCAA Cc1nn(C)c(Cl)c1CN1CCC[C@](O)(C(N)=O)C1 284832570 MWDJUDXXKLSALB-GFCCVEGCSA-N 286.763 0.194 0 50 CCAA COCCNC(=O)c1cc(OC)cc(C(=O)O)c1 426571571 HCJMYBKRIUYOBZ-UHFFFAOYSA-N 253.254 0.770 0 50 CCAA Cn1ccnc1CCNC(=O)C[C@H]1CCCOC1 426589096 QYZASDUTIRYWAD-LLVKDONJSA-N 251.330 0.896 0 50 CCAA O=C(NCCOCc1ccc(Cl)cc1)[C@H]1CNCCO1 97360174 OGSVRKHUVLNBBF-CYBMUJFWSA-N 298.770 0.961 0 50 CCAA Cn1c(C(=O)N[C@@H]2CNC[C@H]2O)cc2cc(F)ccc21 426419724 IJTVNSVDUJZTGA-ZWNOBZJWSA-N 277.299 0.380 0 50 CCAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1[C@H]1CCCS1(=O)=O 238950459 YCHBXRLOROHSSC-FBDQPXRJSA-N 281.333 0.328 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ncccc1F 616433732 XSSSJTBXPNQYEK-AWEZNQCLSA-N 295.314 0.588 0 50 CCAA N[C@@H](Cc1ccccc1)C(=O)NCc1cnc2cnccn12 244678471 IDSDCIJVCFVCQE-AWEZNQCLSA-N 295.346 0.916 0 50 CCAA CNC(=O)[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCO1 180365115 CDLRLYPZZPMARV-CYBMUJFWSA-N 291.351 0.340 0 50 CCAA CCN(C)c1ccnc(C[C@H]2CC(=O)N(CCOC)C2)n1 244723553 MDPAIBPROUMCTA-LBPRGKRZSA-N 292.383 0.970 0 50 CCAA COc1cccc(C(=O)NCCN2CCC(O)CC2)c1 297058486 URQJWFPSAKIFDF-UHFFFAOYSA-N 278.352 0.882 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1 299744234 OBJVXLIIUTYBJV-LBPRGKRZSA-N 293.275 0.270 0 50 CCAA CN1CCC(OCCCNC(=O)[C@H]2C=CCN2)CC1 534652969 CITNFGVMCSETTP-CYBMUJFWSA-N 267.373 0.132 0 50 CCAA Cc1cccc(CCCNC(=O)N(C)C[C@H](O)CO)c1 534666879 FUNCGTACVHMOPM-AWEZNQCLSA-N 280.368 0.922 0 50 CCAA CCC[C@H](NC(=O)CNC(=O)N(C)C)c1nccn1C 299777186 PGLSGDVFCGLAGO-JTQLQIEISA-N 281.360 0.649 0 50 CCAA COc1nccnc1N1CC[C@H]2[C@H](C1)OCc1cnnn12 299789918 ARHUEILZIFKLMJ-QWRGUYRKSA-N 288.311 0.427 0 50 CCAA CN1CCN(S(=O)(=O)c2cccs2)C[C@H]1CCO 828747397 YPGSBMJQGGHSDL-SNVBAGLBSA-N 290.410 0.435 0 50 CCAA CNC(=O)C[C@H]1CCN(CCn2cnnc2C)C1 823821097 TWKCCOYMHNFZOI-LLVKDONJSA-N 251.334 0.045 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1Nc1nc2ccccc2n1CCO 584893999 JKVSOAFPBUJRBN-JSGCOSHPSA-N 290.367 0.770 0 50 CCAA O=C(CC1CCNCC1)N[C@H]1CCc2c[nH]nc2C1 584894528 CHIJQBPTGKISKU-LBPRGKRZSA-N 262.357 0.773 0 50 CCAA O=C(O)C[C@@H]1CN(C2CCOCC2)C[C@@H]1c1cnn[nH]1 1076077766 YYCFTDOIPDXRNP-KOLCDFICSA-N 280.328 0.474 0 50 CCAA CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H]2OC(C)(C)O[C@H]12 44608350 WNHXYQWRRURBBJ-DBIOUOCHSA-N 274.269 0.358 0 50 CCAA in-vitro CC(C)N1CCC(C(=O)N2CCC[C@@](O)(CO)CC2)CC1 952872583 RQHQSOZAYGUZKU-INIZCTEOSA-N 298.427 0.843 0 50 CCAA CCNC(=O)N1CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 407996771 GSIIBHCCTDQZPD-CQSZACIVSA-N 283.372 0.411 0 50 CCAA C[C@@H]1O[C@H](C)CN(c2ncc(S(N)(=O)=O)s2)[C@@H]1C 408441842 GRCLCJNRUZRASG-PRJMDXOYSA-N 291.398 0.793 0 50 CCAA Cc1ccccc1OCCN1CCO[C@H](C)[C@H]1C(N)=O 583619939 DVQQJFDAZFCYMU-OCCSQVGLSA-N 278.352 0.948 0 50 CCAA O=C1CC[C@H](Cn2ncn(-c3ccccc3)c2=O)CCN1 515621731 NXKVCHSHXOLIQU-LBPRGKRZSA-N 286.335 0.950 0 50 CCAA NC(=O)[C@]1(O)CCN(c2ncc(Cl)cc2F)C1 278808861 RYYXYMAACDZMCQ-JTQLQIEISA-N 259.668 0.301 0 50 CCAA CC(C)(C)CCOC(=O)c1c[nH]nc1S(N)(=O)=O 585138002 HGCFUDOPBBURGQ-UHFFFAOYSA-N 275.330 0.650 0 50 CCAA CC(C)Oc1nccnc1N1CC[C@H](S(N)(=O)=O)C1 679390615 DVNSIKYWSAASAY-VIFPVBQESA-N 286.357 0.131 0 50 CCAA CCO[C@@H]1C[C@@](O)(CNC(=O)c2cnn(C)c2)C1(C)C 191769549 BRTPGOMJJYMXJW-BXUZGUMPSA-N 281.356 0.716 0 50 CCAA C=CC(=O)N1CCC[C@H]1C(=O)N1CCSCC1 685940170 JXIGQVPGWCUWDS-JTQLQIEISA-N 254.355 0.739 0 50 CCAA O=C(NCC1(NC(=O)c2cocn2)CCC1)c1cocn1 671912214 ILZWXTFOANPTQA-UHFFFAOYSA-N 290.279 0.745 0 50 CCAA O=C(N1CCCC(F)(F)C1)[C@]12CNC[C@H]1CCOC2 1615555198 YZSIKIJVNYWCBY-PWSUYJOCSA-N 274.311 0.870 0 50 CCAA NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976037 MINUJESMSMNGKI-SNVBAGLBSA-N 250.273 0.702 0 50 CCAA CC(C)Cc1nc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)no1 1800414796 VZNCNWLXOOPRIN-QMTHXVAHSA-N 295.339 0.801 0 50 CCAA CCC(=CC(=O)N1CCC(NS(N)(=O)=O)CC1)CC 863346379 HPQUNJXOPBPUKX-UHFFFAOYSA-N 289.401 0.517 0 50 CCAA COCCC(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 12612025 FTPZLHQBZMSBMW-AWEZNQCLSA-N 290.363 0.983 0 50 CCAA Fc1ccc(-n2nnnc2SCc2nnn[nH]2)cc1 13424184 FJENOGOVKNFKDN-UHFFFAOYSA-N 278.276 0.607 0 50 CCAA O=C(CCCn1cccc1)N[C@@H]1CCS(=O)(=O)C1 158810072 ZHLMACZYDZXRSO-LLVKDONJSA-N 270.354 0.572 0 50 CCAA NC(=O)[C@@H]1CN(C(=O)CC[C@H](N)c2ccccc2)CCO1 237921350 JDFWERMYYLXJRZ-STQMWFEESA-N 291.351 0.179 0 50 CCAA CC(C)(C(=O)O)n1cc(NC(=O)c2nccnc2N)cn1 262831426 RMHQIDONPJYVPL-UHFFFAOYSA-N 290.283 0.327 0 50 CCAA NS(=O)(=O)c1ccc(CCNC(=O)C2CC2)cc1 6433464 SGODZVGXDFJRPX-UHFFFAOYSA-N 268.338 0.403 0 50 CCAA Cc1ccnc(N2C[C@H]3COC[C@@H](C2)CN3CC(=O)O)n1 1704336898 LDQHDSFIPWKNAW-NEPJUHHUSA-N 292.339 0.007 0 50 CCAA O=C(NCCc1nc(=O)o[nH]1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 935706667 XXLXVFWHMHUDGZ-KHUJYXKRSA-N 263.297 0.314 0 50 CCAA CN1CCC[C@H](CCNC(=O)NCc2cncn2C)C1 868698170 SVLDBHFIERKWJJ-GFCCVEGCSA-N 279.388 0.951 0 50 CCAA O=C(N[C@H]1CCO[C@H]1c1nc[nH]n1)c1ncc(F)cc1F 952888720 NZIGVWRHPVMPQL-WCBMZHEXSA-N 295.249 0.738 0 50 CCAA C=CC(=O)N(C)CC(=O)N1Cc2c[nH]nc2C[C@H](C)C1 1177675928 LPEURISLVRZBMI-JTQLQIEISA-N 276.340 0.575 0 50 CCAA c1ccc(-n2nnnc2NC[C@H]2CNCCOC2)cc1 72152501 GQNNITFNMIWILW-LLVKDONJSA-N 274.328 0.310 0 50 CCAA COCC1(C)CCN(CCNS(C)(=O)=O)CC1 408099054 XNMOIGWWONSTFV-UHFFFAOYSA-N 264.391 0.284 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1ncccc1O 330883981 PGEPSAUAWHSAOP-QMMMGPOBSA-N 272.326 0.292 0 50 CCAA Nc1ccc(C(=O)NC2(C(=O)O)CCOCC2)cn1 534638523 JGHDJTBRMZHTIS-UHFFFAOYSA-N 265.269 0.027 0 50 CCAA Cc1ncn(C)c1C(=O)N1CCC[C@@]2(CCNC2)C1 534670166 XZQFPEVESXIEKT-AWEZNQCLSA-N 262.357 0.944 0 50 CCAA CC1(C)CC[C@H](C(=O)N[C@@H]2CCC(=O)NC2=O)C1 336559928 SSGQLHHTGLFOQP-DTWKUNHWSA-N 252.314 0.734 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)c2ccccc2)C1 189509 KGOLSZMWZMESBB-UHFFFAOYSA-N 254.311 0.362 0 50 CCAA CNc1ncccc1C(=O)NC[C@@H](O)c1cccc(O)n1 2356159701 NHNFHNQDQLLGSJ-LLVKDONJSA-N 288.307 0.687 0 50 CCAA O=C(NCCc1nccs1)[C@H]1CCS(=O)(=O)C1 50451657 HHDSGPCLPXVQEK-QMMMGPOBSA-N 274.367 0.237 0 50 CCAA O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@@]1(CO)C=C[C@H]2O1 101356438 KZLYJYOGHUSRFA-BLTAXRJOSA-N 271.272 0.492 0 50 CCAA COCc1cc(=O)[nH]c(NC[C@@H]2CCCNC2)n1 57329836 GCZPPZPESPHBKJ-SECBINFHSA-N 252.318 0.328 0 50 CCAA CC(C)CN(Cc1cnn(C)c1)C(=O)CS(C)(=O)=O 55386958 PLJNKFHUIGNSAD-UHFFFAOYSA-N 287.385 0.449 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)[C@@H]1CC12CCOCC2 238071838 AVIUGYKJGZENKR-VHSXEESVSA-N 253.298 0.879 0 50 CCAA CO[C@H]1COC[C@@H]1Nc1nc(C)nc2c1CCN(C)CC2 65395598 ZIMJWJGVRTVRDY-KBPBESRZSA-N 292.383 0.641 0 50 CCAA CN1CC[C@](C)(CN(C)C(=O)CCn2cncn2)C1 67559448 JCJGCEKJGWEPGC-ZDUSSCGKSA-N 265.361 0.468 0 50 CCAA O=C(CNCCO)Nc1ccc(Br)cc1 35101803 CMLVSMYXHJMJJY-UHFFFAOYSA-N 273.130 0.970 0 50 CCAA CN(C)Cc1nnc(C(=O)N2CCCN3CCC[C@H]3C2)o1 71419378 DKWLFKCNZACJEN-NSHDSACASA-N 293.371 0.442 0 50 CCAA CN(C)c1ncc(CN2CCC(C(=O)O)CC2)cn1 218466283 LCSLDVDPUIMPIU-UHFFFAOYSA-N 264.329 0.839 0 50 CCAA Cc1ccc(C(=O)NCCSc2nccn2C)c(=O)[nH]1 215150187 DKRBOHYDWSWUGJ-UHFFFAOYSA-N 292.364 0.939 0 50 CCAA Nc1ncccc1CN1CCOC[C@@H]1CC(=O)O 72152486 VCVWCKCCYKBWKY-JTQLQIEISA-N 251.286 0.339 0 50 CCAA Cn1ccc(S(=O)(=O)N2C[C@@H](O)Cc3ccccc32)n1 332001575 PHXPRIBBZQFJRL-NSHDSACASA-N 293.348 0.532 0 50 CCAA Cc1cc(NCCCN2CCOCC2)nc(N)n1 75604570 YWQKPDJJLJQWNS-UHFFFAOYSA-N 251.334 0.501 0 50 CCAA NC(=O)c1ccc(OCC(=O)N2CCC[C@@H]2C(=O)O)cc1 262695238 HRDMWVSXRPVWOH-LLVKDONJSA-N 292.291 0.240 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 219617263 POTNHTJHQBBRMZ-KWBADKCTSA-N 287.323 0.750 0 50 CCAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc2c(c1)OCO2 237539104 OBYLGFNFODRVBM-UWVGGRQHSA-N 298.364 0.916 0 50 CCAA Cn1cc([C@H](NC(=O)c2cnnn2C)C(F)(F)F)cn1 282168406 JCQMWFMGJGIQDI-QMMMGPOBSA-N 288.233 0.582 0 50 CCAA Cc1nc(C(=O)NC[C@H](C)CN2CCCC2)n(C)n1 454147692 OAGREJXVKKSYQZ-JTQLQIEISA-N 265.361 0.585 0 50 CCAA CC[C@H](C)N(CC(=O)O)C(=O)[C@@H]1CC[C@H](C(=O)O)O1 240934451 JCDMYLSFNUHKFY-XHNCKOQMSA-N 273.285 0.330 0 50 CCAA O=C(CCOc1ccccc1)NC[C@@H]1COCCO1 48808812 IAWBITMGWGGKSH-CYBMUJFWSA-N 265.309 0.987 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1C(=O)CCc1cnn(C)c1C 284506899 DVEUHIUQSLMIFA-KBPBESRZSA-N 295.383 0.923 0 50 CCAA C[C@H]1OCCN(Cc2ncc(Cl)n2C)[C@@H]1C(N)=O 284600564 LJGAPTVDTICWKN-XCBNKYQSSA-N 272.736 0.148 0 50 CCAA CCNC(=O)CN1CCN(C(=O)c2ccc(CC)[nH]2)CC1 220408818 DHIGCKVUQFDOJT-UHFFFAOYSA-N 292.383 0.471 0 50 CCAA c1nc(NCc2nnc3n2CCC3)cc([C@H]2CCOC2)n1 426500112 MVSREKDNOIRLAT-JTQLQIEISA-N 286.339 1.130 0 50 CCAA CC(C)N=c1cc([C@@H]2CCOC2)[nH]c(=NCCO)[nH]1 426563038 AGHZRDUGJTZAMU-SNVBAGLBSA-N 266.345 0.049 0 50 CCAA Cn1c(SCC(=O)NC2CC2)nnc1[C@@H]1CCCNC1 426530427 MPQZYEUXEBSFEQ-SECBINFHSA-N 295.412 0.653 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCc1cnccn1 426668312 LBQKSBCBXXKTCS-KBPBESRZSA-N 292.383 0.633 0 50 CCAA CNc1ccnc(N2CCC3(CCNC[C@H]3CO)CC2)n1 97402437 UIXSPVYFSOAVKV-LBPRGKRZSA-N 291.399 0.707 0 50 CCAA CCCn1ncc(CN2CCO[C@H](C(N)=O)C2)c1C 97696392 IGNKRIOFEHJEBX-LBPRGKRZSA-N 266.345 0.288 0 50 CCAA CSCC(=O)N1CCN(C)[C@]2(CCNC(=O)CC2)C1 92022736 QVSYVMQCWXBIGI-CYBMUJFWSA-N 285.413 0.162 0 50 CCAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 244899298 ZHFKOLQCLFWOSO-WAAGHKOSSA-N 290.327 0.189 0 50 CCAA Cn1nc(Br)nc1N1CCC(O)CC1 524728989 UZSUGYUGCAGFOA-UHFFFAOYSA-N 261.123 0.539 0 50 CCAA COCc1nc(CNC(=O)COC[C@@H]2CCCO2)no1 252486633 HNAAWINRQTXEHY-VIFPVBQESA-N 285.300 0.028 0 50 CCAA O=C(CCn1cnnn1)Nc1nnc([C@H]2CCCO2)s1 583652498 DMSXHFCFIAQVIS-SSDOTTSWSA-N 295.328 0.405 0 50 CCAA CO[C@H]1CN(C(=O)c2ccc(O)cc2C)C[C@@H]1O 584904028 CCCLIPFHTPNAAL-RYUDHWBXSA-N 251.282 0.532 0 50 CCAA CCn1cnnc1CN(C)C(=O)[C@@H](C)Cn1cccn1 584899993 UDTMLOZATRNDAJ-NSHDSACASA-N 276.344 0.789 0 50 CCAA Cc1sc2ncn([C@@H]3CNC[C@H]3O)c(=O)c2c1C 670474334 ODSPYZRRMPLNEK-RKDXNWHRSA-N 265.338 0.580 0 50 CCAA C=CC(=O)N(C)CC(=O)NCCc1ccc(C)nc1 1331381487 VMOMMMJKYSCAFG-UHFFFAOYSA-N 261.325 0.693 0 50 CCAA Cc1nc(C(=O)N2CCO[C@@H](C(=O)N(C)C)C2)cs1 952964498 NWMCARZMPBBAMH-SNVBAGLBSA-N 283.353 0.381 0 50 CCAA CN(C)C(=O)CCNC(=O)CCCN1CCCCC1 952861412 FIFYTIMZISUBGI-UHFFFAOYSA-N 269.389 0.847 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)CN(C)Cc1ccncc1 1565530824 KQPZWYMNYJRKKB-KBPBESRZSA-N 293.367 0.434 0 50 CCAA COCc1nc2n(n1)C[C@@H](NC(=O)c1ccn(C)c1)CC2 268684643 PIXAQTJURJXAAE-NSHDSACASA-N 289.339 0.508 0 50 CCAA CO[C@H]1C[C@@H](CO)N(c2nc(C)nc3c2cnn3C)C1 408031289 SKXXWMNNMGSEOR-UWVGGRQHSA-N 277.328 0.258 0 50 CCAA COc1c(N)ncnc1N1CCO[C@H](c2n[nH]c(C)n2)C1 570226175 INVWWEJPQMQJOY-QMMMGPOBSA-N 291.315 0.072 0 50 CCAA Cc1n[nH]cc1CNC(=O)NC[C@H]1CCc2nccn2C1 275299090 BLPVSKPJGIMCBA-LLVKDONJSA-N 288.355 0.976 0 50 CCAA Cn1c(S)nnc1CCNC(=O)[C@@H]1C[C@H]1C1CC1 170655864 UXGJYNODCVBKCB-DTWKUNHWSA-N 266.370 0.809 0 50 CCAA CCCN(CC(=O)O)C(=O)Cc1cc(C)nn1C 647729730 OQBBRSDXJNMKBM-UHFFFAOYSA-N 253.302 0.594 0 50 CCAA COC[C@H](O)CN1C[C@H]2[C@@H]3CCCCN3C[C@H]2C1 245343873 WFRGQZLJJAJBRL-SYQHCUMBSA-N 254.374 0.410 0 50 CCAA O[C@]1(c2cnn[nH]2)CCCN(Cc2cn3cccnc3n2)C1 583617871 BSWPTMLHFGFSNR-CQSZACIVSA-N 299.338 0.331 0 50 CCAA Cn1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)n1 584906672 XWOHYGLBOXHQCD-QMMMGPOBSA-N 276.262 0.787 0 50 CCAA Cc1nc(Cl)cc(N2CCN(C)C[C@@H]2CO)n1 585117978 LMBOSBPFGGVYSR-SECBINFHSA-N 256.737 0.551 0 50 CCAA CO[C@H](C(=O)N1CC2(CNC(=O)N2)C1)c1ccccc1 1857684540 RUUUAXJOHNZUNX-NSHDSACASA-N 275.308 0.268 0 50 CCAA O=C(N[C@@H]1COC2(CCNCC2)C1)c1ccn[nH]1 216401005 GDCXXZLFPRQURP-VIFPVBQESA-N 250.302 0.051 0 50 CCAA CCS(=O)(=O)N1CCN(Cc2cn(C)c(C)n2)CC1 1857706543 KPSVQKHVVSWPPU-UHFFFAOYSA-N 286.401 0.196 0 50 CCAA CCOC(=O)CCN(C)C(=O)[C@@H]1CCCCC(=O)N1 332043876 UUVODVWOENQYBQ-JTQLQIEISA-N 270.329 0.457 0 50 CCAA N[C@H]1CC[C@H](NC(=O)c2sccc2S(N)(=O)=O)C1 212996029 WWPXRZFPTMOYAO-BQBZGAKWSA-N 289.382 0.005 0 50 CCAA Cc1nc(CC(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)cs1 1704307362 YDTVMPLGGIQWGS-AAEUAGOBSA-N 295.408 0.783 0 50 CCAA CCSc1nccnc1C(=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 590422135 YRLYBCZZEHWHTE-MYJAWHEDSA-N 279.365 0.899 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)C1CCOCC1 1565516837 DIYHRQCOEMFNPP-QWRGUYRKSA-N 252.314 0.349 0 50 CCAA C[C@H](C(=O)O)C(=O)N1CCN(c2ccccc2O)CC1 229334599 ZQWBNJZWSWYOJX-JTQLQIEISA-N 278.308 0.762 0 50 CCAA OCC1(CO)[C@H]2CN(C[C@H]3C[C@@H]4CC[C@H]3O4)C[C@@H]21 1772709472 NQWXZLOFXHYIPC-QNWJLWSRSA-N 253.342 0.087 0 50 CCAA CCc1nc(N2CCCN(C(=O)[C@H]3CCOC3)CC2)no1 1772805593 QALRNUWRURIQCA-NSHDSACASA-N 294.355 0.707 0 50 CCAA O=C(NC1CC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11998091 LHEAETTWHUQUFZ-UHFFFAOYSA-N 294.332 0.645 0 50 CCAA C/C=C(\C)CN1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 12199056 GZRAUZURHZVBOX-LZIVIPDOSA-N 268.401 0.845 0 50 CCAA CCC(=O)N[C@@]1(C(F)(F)F)C(=O)NC(C)=C1C(=O)OC 4850491 KKGFZANIZOYEMA-SNVBAGLBSA-N 294.229 0.391 0 50 CCAA CC1=C(C(N)=O)[C@H](c2cccc(O)c2)N2NC=NC2=N1 71438 YKPQRZKUBZREQH-NSHDSACASA-N 271.280 0.411 0 50 CCAA C[C@H](ONC(=O)[C@@H]1CC(=O)CO1)c1ccncc1 1875298145 PLNSIPWFQWHLLY-KWQFWETISA-N 250.254 0.548 0 50 CCAA O=C(NCCC(=O)N1CCCc2nn[nH]c21)c1ccco1 1875258590 FRRBETOFKXMUSB-UHFFFAOYSA-N 289.295 0.497 0 50 CCAA N[C@H]1C2C[C@H]3[C@@H](C2)C13C(=O)N=c1cc(-c2cccnc2)[nH][nH]1 1875320101 GVAVMGZDPYPJQN-QDZIGMLLSA-N 295.346 0.815 0 50 CCAA C[S@](=N)(=O)[C@H]1C[C@H](C(=O)NCC2(n3nccn3)CC2)C1 1875408132 PAWHCYNYHCZGTH-VUPYVKPUSA-N 297.384 0.339 0 50 CCAA Cc1ccc(C(=O)N[C@](C)(Cn2cccn2)C(N)=O)s1 889646351 LRMBJVVXHIHOQW-CYBMUJFWSA-N 292.364 0.927 0 50 CCAA C[C@H]1C(=O)N(NC(=O)c2coc(C3CCC3)n2)C(=O)N1C 899036942 YUXLZBHEBRGTJB-ZETCQYMHSA-N 292.295 0.869 0 50 CCAA Cc1cc2ccccc2nc1N1CC[C@](O)(C(N)=O)C1 365347988 UXYJDKWIAILOLI-OAHLLOKOSA-N 271.320 0.970 0 50 CCAA O=C(O)CSCC(=O)N1C[C@H](C(=O)O)C2(CCC2)C1 2325779038 CNHUSBPTKGAPLN-MRVPVSSYSA-N 287.337 0.518 0 50 CCAA C[C@@H]1CO[C@@H](CN(C)C(=O)N=c2nc3n([nH]2)CCCC3)C1 2325790178 WCGNKOFTZJCXTB-WDEREUQCSA-N 293.371 0.925 0 50 CCAA CC(C)(C(=O)NCc1nn[nH]n1)C1=CCSCC1 2325805524 ORKYFMPAPNLTAF-UHFFFAOYSA-N 267.358 0.905 0 50 CCAA CN(CC(=O)O)C(=O)CNC(=O)OCc1ccccc1 1569731 DNSQLCGFBZSRPW-UHFFFAOYSA-N 280.280 0.456 0 50 CCAA COc1cc(N2C(=O)CC(=O)NC2=O)cc(OC)c1OC 2976743 QYPGFMFEGKZNQA-UHFFFAOYSA-N 294.263 0.685 0 50 CCAA COc1cccc(OC[C@@H](O)CN(C)S(=O)(=O)O)c1 2990460 QSXOTNWHAHAJQE-VIFPVBQESA-N 291.325 0.170 0 50 CCAA Cn1ccnc1CN1CCC[C@]12CCCN(CCO)C2=O 2356158192 YZYXSSJYLIFIQW-HNNXBMFYSA-N 292.383 0.369 0 50 CCAA CN(C)C1=NC(N(C)C)=NP(N(C)C)(N(C)C)=N1 4953348 DYXFIQVHWHJTNQ-UHFFFAOYSA-N 273.325 0.905 0 50 CCAA COC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@@]23C=C[C@H]1O3 100846449 NSUAJMBIBIXWTK-ZAZJYDDPSA-N 289.287 0.735 0 50 CCAA CCn1nc(C)c(C(=O)NCCS(=O)(=O)CC)c1C 57734522 HBNPTRILQCHZQW-UHFFFAOYSA-N 287.385 0.684 0 50 CCAA O=S(=O)(C[C@H]1CCCCO1)N1CCN2CCC[C@H]2C1 247502959 OCBUOGQLULCQLH-QWHCGFSZSA-N 288.413 0.665 0 50 CCAA CCCO[C@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 67112538 ZAKRYELXKLBCBW-NSHDSACASA-N 277.386 0.839 0 50 CCAA Cn1c(=NCCCS(C)(=O)=O)[nH]c2ccc(F)cc21 431032600 DJUUONJDNYPDRF-UHFFFAOYSA-N 285.344 0.981 0 50 CCAA O[C@H]1COCCN(c2noc(-c3ccccc3)n2)C1 77505241 FUHLHHADQYBAQN-LLVKDONJSA-N 261.281 0.934 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@@H](C)N1 153361488 KIJXXLSOJGCDRJ-PHIMTYICSA-N 291.351 0.373 0 50 CCAA c1nc(N2CCOCC2)cc(N2CCN(C3CC3)CC2)n1 172380784 YSKHPLJBULZTGJ-UHFFFAOYSA-N 289.383 0.598 0 50 CCAA COc1cc(S(=O)(=O)N[C@H](C)C(=O)O)ccc1F 262432779 SSNWGSXYBWWZMV-ZCFIWIBFSA-N 277.273 0.586 0 50 CCAA Cc1ncc(CN(C)C(=O)C2(S(C)(=O)=O)CC2)s1 331857564 IEIMEJXZWFLJFE-UHFFFAOYSA-N 288.394 0.987 0 50 CCAA COc1ccc(C(=O)N2CC(n3nc(C)nc3C)C2)cn1 333377787 BARHDLBSXCWHMB-UHFFFAOYSA-N 287.323 0.996 0 50 CCAA C[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@H]1CO 377303270 HPEMABSQIVNEQD-OLZOCXBDSA-N 282.384 0.328 0 50 CCAA CCCN1CC(=O)N([C@H]2CCc3nc[nH]c3C2)C1=O 336025211 YWXFUKGEXDPPIR-VIFPVBQESA-N 262.313 0.941 0 50 CCAA CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCc2cncn2C1 334171810 BBMXREXBXRLTIJ-GFCCVEGCSA-N 273.340 0.838 0 50 CCAA C/C=C/C[C@@H](CO)NC(=O)[C@H]1CCc2cnn(C)c2C1 282407692 QRBGOFBKNUKUSO-JXSWWZISSA-N 277.368 0.968 0 50 CCAA CN1CC(=O)N(CC(=O)NCc2cccc(F)c2)C1=O 45362324 PKWYNNCALCWVPA-UHFFFAOYSA-N 279.271 0.336 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)N(C)[C@H](C)C(=O)O 263345522 YWKQJDSJJWIIBV-KXUCPTDWSA-N 259.302 0.502 0 50 CCAA Nc1nc(=NCCc2cnccn2)cc([C@@H]2CCOC2)[nH]1 426424444 ZUHZPXLLYUCHLC-SNVBAGLBSA-N 286.339 0.429 0 50 CCAA CN1C[C@H](NC(=O)COc2cccc(Cl)c2)C[C@H]1CO 222349683 RFAWFIUKMMYZFV-NEPJUHHUSA-N 298.770 0.900 0 50 CCAA Cc1cc(NC(=O)NC[C@H]2COCCO2)n(C)n1 48870977 SWFPICGMCMIVMO-VIFPVBQESA-N 254.290 0.265 0 50 CCAA C[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)O 49546142 XWBVEHNMCDTXOD-VIFPVBQESA-N 293.323 0.102 0 50 CCAA C[C@H](NC(=O)Cn1ccccc1=O)c1nc(C2CC2)no1 426537463 JLGIRBOWYFXAGB-VIFPVBQESA-N 288.307 0.986 0 50 CCAA CC(=O)N1CCN(Cc2ccccc2C(=O)O)C[C@@H](O)C1 91973918 YENGZOJBJHZWAC-CYBMUJFWSA-N 292.335 0.410 0 50 CCAA C[C@@H]1CN(C(=O)Cn2nnc3ccccc32)C[C@@H](C)N1 179158242 WMRDPFVOHXBPPE-GHMZBOCLSA-N 273.340 0.640 0 50 CCAA CN(Cc1cn(C)nn1)S(=O)(=O)c1cccs1 534169226 SHZQRAAFIAYTJO-UHFFFAOYSA-N 272.355 0.697 0 50 CCAA O=C(CO)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252537286 KWVLQPCKVSOQBC-ZOWXZIJZSA-N 277.320 0.542 0 50 CCAA CC(C)N1C(=O)N[C@@H]2CN(C(=O)CC(C)(C)O)CC[C@@H]21 299745926 UDBPXYIDNWEKAA-MNOVXSKESA-N 283.372 0.551 0 50 CCAA CC(C)c1cc(CNC(=O)Cc2cc(O)nnc2O)no1 534652489 PVUIOWSHSXIXGV-UHFFFAOYSA-N 292.295 0.858 0 50 CCAA O=c1c2ccccc2cnn1CCNS(=O)(=O)C1CC1 534593381 WVSITBBZJZZVKZ-UHFFFAOYSA-N 293.348 0.478 0 50 CCAA CCO[C@H]1CN(CC)C[C@@H]1NC(=O)C1CCNCC1 534647196 WGEUVXANKHVTKQ-STQMWFEESA-N 269.389 0.211 0 50 CCAA O=C(CCc1ccc2c(c1)OCO2)NCCn1ccnn1 534631135 XCFDNRUSHIBWDP-UHFFFAOYSA-N 288.307 0.756 0 50 CCAA CC[C@@H](NC(=O)CCC(N)=O)c1ncnn1CC 299773890 GKGMXKWLYULKBF-MRVPVSSYSA-N 253.306 0.131 0 50 CCAA O=C(CCc1cn[nH]c1)NCCCN1CCCC[C@@H]1CO 584887983 HAKGEYYZPPXMGK-CQSZACIVSA-N 294.399 0.695 0 50 CCAA CCS(=O)(=O)CC(=O)NCCCC[C@H]1CCCO1 670473745 IUSYRPBRKSQQQL-NSHDSACASA-N 277.386 0.887 0 50 CCAA COCCC1CCN(C(=O)CCCS(N)(=O)=O)CC1 912976942 YBDUFXFHTRNTJK-UHFFFAOYSA-N 292.401 0.330 0 50 CCAA C[C@H](O)[C@@H](N)C(=O)N1CCN(c2ccccc2F)CC1 1875307288 MRAYMYIZZOAOAB-GXFFZTMASA-N 281.331 0.182 0 50 CCAA CC(C)n1cc(Cn2cc(COCCO)nn2)nn1 1333550284 WVWFFSMWUVHPBA-UHFFFAOYSA-N 266.305 0.008 0 50 CCAA COc1cccc(C)c1C(=O)NCCOCCO 952972912 VOEOEMSNMOVILT-UHFFFAOYSA-N 253.298 0.742 0 50 CCAA O=S(=O)(Cc1ccccc1F)N1CCOCC1 16577824 ZHHFXDWNQREKNQ-UHFFFAOYSA-N 259.302 0.988 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)[C@@H]2CCCOC2)C1 630251277 FWUIMMDRZWNFHL-SKDRFNHKSA-N 257.286 0.115 0 50 CCAA CCC1(CNC(=O)[C@H]2CCS(=O)(=O)C2)CCOCC1 408079526 JZNYYFNWXSJOEB-NSHDSACASA-N 289.397 0.744 0 50 CCAA Cc1nnc(C(=O)N2CCNC(=O)[C@@H]2CC(C)C)s1 408514314 GHWGEKVTSQDSBL-VIFPVBQESA-N 282.369 0.833 0 50 CCAA C[C@@]1(C(=O)NC[C@H](O)c2ccccc2F)CCNC1 269245572 QXWLGIBDQAHDSO-GXTWGEPZSA-N 266.316 0.975 0 50 CCAA Cc1ccc(F)c(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1 170605996 JAMJKPBDOZOZAZ-QMMMGPOBSA-N 279.271 0.494 0 50 CCAA COCCOCCOCCN(C)C(=O)[C@H]1CCOC1 170605661 ZGYJFPKWBVIFSE-LBPRGKRZSA-N 275.345 0.161 0 50 CCAA C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1nnn(C)n1 661087019 LQJROELSYMMCCF-JOYOIKCWSA-N 286.339 0.738 0 50 CCAA CCc1[nH]ccc1C(=O)N1CCC[C@@]1(COC)C(=O)NC 644061128 KJJOJPQHTGQHTF-OAHLLOKOSA-N 293.367 0.944 0 50 CCAA CCN1CC[C@H](Nc2cc(C(=O)O)ncn2)C1=O 708597324 HKNGMVJBCONVHT-ZETCQYMHSA-N 250.258 0.208 0 50 CCAA O=C(O)c1cnc[nH]c1=NCC1(CCO)CCCC1 565718310 KUKYGLQRDYGZQT-UHFFFAOYSA-N 265.313 0.951 0 50 CCAA Oc1ncnc2c1CCN(CC[C@H]1COCCO1)C2 1800413887 JURGEFSPXDLGNQ-JTQLQIEISA-N 265.313 0.346 0 50 CCAA O=C(CC1OCCO1)N1CC[C@H](c2ncon2)C1 1637991609 WFOYOPJJCVMDFG-QMMMGPOBSA-N 253.258 0.149 0 50 CCAA O=C([C@H]1NCC12CCCC2)N1CCCn2nncc2C1 1615548830 UBZGBHFYFKUSBO-GFCCVEGCSA-N 275.356 0.543 0 50 CCAA N=c1ccc(C(=O)N[C@H]2CCC[C@H](C(=O)O)C2)c[nH]1 1875278143 CKFSEQDPNIJFHI-WPRPVWTQSA-N 263.297 0.867 0 50 CCAA CO[C@]1(C)CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 408334849 QZNQBUIOQPTGNY-VXGBXAGGSA-N 277.386 0.854 0 50 CCAA NS(=O)(=O)CCNc1nc(-c2ccccc2)ns1 121647139 XTRMJVLIEAXMFR-UHFFFAOYSA-N 284.366 0.906 0 50 CCAA O=C1[C@H](O)CCCCN1CC(=O)N1CCCCCO1 644446838 KKOVXDUMSHQKIC-LLVKDONJSA-N 270.329 0.304 0 50 CCAA Cc1cc(CC(=O)N2CCC[C@@H]([C@H](C)N)C2)n[nH]1 237469777 DEIFLYUUNKZWNV-WDEREUQCSA-N 250.346 0.846 0 50 CCAA Cc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)nc1 1704307200 VOVZCJYGSPMKKC-OCCSQVGLSA-N 275.352 0.679 0 50 CCAA COc1ccc2oc(=O)c(C(=O)Nn3cnnc3)cc2c1 434235 ZCEIAAIWYHLIRU-UHFFFAOYSA-N 286.247 0.777 0 50 CCAA CSC[C@@H](C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 594393480 ONMRCCXDEKBZDL-OUAUKWLOSA-N 258.387 0.263 0 50 CCAA CSCC[C@H](N)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 122021702 LBCOABMICYISHO-SRVKXCTJSA-N 288.413 0.473 0 50 CCAA CN(C)c1cccc(C(=O)N2CCC([C@@H](O)CO)CC2)c1 1772707392 SFJWPAKPZSLKDM-HNNXBMFYSA-N 292.379 0.958 0 50 CCAA CC(C)C[C@H](N)C(=O)N(CCO)Cc1ncc[nH]1 1772704012 JNLADCRHVNZIIC-JTQLQIEISA-N 254.334 0.104 0 50 CCAA CN1CCC2(CC1)CN(c1cncc(N(C)C)n1)CCO2 1772814331 TVWRJNTYINKGQV-UHFFFAOYSA-N 291.399 0.844 0 50 CCAA NC(=O)CC[C@H](NC(=O)NC1CCCCC1)C(=O)O 5725538 QAIUXEOCNPPITQ-VIFPVBQESA-N 271.317 0.337 0 50 CCAA CCNC(=O)C(=O)Nc1ccc(OC)cc1OC 2902083 TVAGTGFONIYHRJ-UHFFFAOYSA-N 252.270 0.778 0 50 CCAA CCc1nnc(NC(=O)CN2C(=O)CCC2=O)s1 4818905 LYHXIBMBRMLDNO-UHFFFAOYSA-N 268.298 0.188 0 50 CCAA O=C1C[C@H]2CN(C(=O)c3cccc4c3CCC4=O)C[C@H]2N1 1857672769 GPSHSXCTPNRPSF-TVQRCGJNSA-N 284.315 0.776 0 50 CCAA O=C1C[C@H]2CN(C(=O)Cc3n[nH]c4ccccc34)C[C@H]2N1 1857680544 PFATXUSDZJVMMJ-TVQRCGJNSA-N 284.319 0.452 0 50 CCAA O=C(c1cncc(F)c1)N1CCO[C@@H](Cn2ccnn2)C1 636218096 RHNFGRAOCFGKMI-GFCCVEGCSA-N 291.286 0.353 0 50 CCAA Cn1ccc(CNC(=O)CN2CCCC[C@@H](O)C2=O)c1 644382091 QGGOFVUZVZSYDF-GFCCVEGCSA-N 279.340 0.015 0 50 CCAA CN1CC[C@H](NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)C1=O 163833967 UWHMMYRXFSADEK-AVGNSLFASA-N 289.335 0.175 0 50 CCAA CCn1nc(C)nc1N1C(=O)N[C@](C)(C2CC2)C1=O 900249928 NQFKCPRGWRGIJL-GFCCVEGCSA-N 263.301 0.831 0 50 CCAA C[C@@](O)(CNCc1cc2n(n1)CCCO2)C(F)F 1120515475 WVVWQYXBCCCPRK-LLVKDONJSA-N 261.272 0.771 0 50 CCAA C=CC(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)O)CC1 1857787000 WHYQWNULPITFPD-PWSUYJOCSA-N 253.298 0.901 0 50 CCAA CCOC[C@@H](C)CS(=O)(=O)NCCc1cc[nH]n1 952884112 XZJQYERDGAIZLU-SNVBAGLBSA-N 275.374 0.544 0 50 CCAA Cc1cnc2c(C(=O)NCc3nc(C(N)=O)co3)cccn12 1875341511 WDXKHJCLNPJJOE-UHFFFAOYSA-N 299.290 0.660 0 50 CCAA CC(=O)N[C@H](C)Cc1ccc(S(N)(=O)=O)cc1 1875321393 HEQCIUSQKUVYCS-MRVPVSSYSA-N 256.327 0.401 0 50 CCAA CC(C)[C@H](NC(=O)/C=C/CN)C(=O)N1CCCC1 1875338026 MCZBOZPTDQZRBF-FYJFLYSWSA-N 253.346 0.265 0 50 CCAA CCNC(=O)N1CCN(C[C@H](O)C(F)(F)F)CC1 185160890 RMMSAMXOXYSDTQ-QMMMGPOBSA-N 269.267 0.257 0 50 CCAA COCCOCC(=O)NCc1cc(C2CC2)n[nH]1 584902760 KRMOZSMGCFPTIF-UHFFFAOYSA-N 253.302 0.566 0 50 CCAA Cn1nnnc1[C@@H]1CN(Cc2nnc(C3CC3)o2)CCO1 2100547334 GJSYGZJONQZRSA-VIFPVBQESA-N 291.315 0.044 0 50 CCAA CCn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@@H](C(=O)O)C3)n1 2325788469 ILGYDKCPMLMSAZ-DCAQKATOSA-N 292.339 0.871 0 50 CCAA COCc1nn[nH]c1C(=O)N1C[C@@H](CN(C)C)CC1(C)C 2325810837 IDYPIOXKWJOUFQ-SNVBAGLBSA-N 295.387 0.753 0 50 CCAA Nn1c(C(=O)NC[C@@H]2CCCO2)nc2ccccc2c1=O 159214 WTSBOACMCUBSMH-VIFPVBQESA-N 288.307 0.019 0 50 CCAA CN(C)C(=O)c1ccc(N=c2nc(Cl)[nH][nH]2)nc1 2356142033 APADPOATTOLVAP-UHFFFAOYSA-N 266.692 0.720 0 50 CCAA Cc1cn(CCNC(=O)c2ccnc3c2nc(C)n3C)nn1 2356146072 QCMSTXLYDNYTFA-UHFFFAOYSA-N 299.338 0.607 0 50 CCAA CCn1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)cn1 4294535 GBTQIHRPSAXJKG-UHFFFAOYSA-N 287.341 0.388 0 50 CCAA CN[C@H]1CCCN(C(=O)COc2c(C)nn(C)c2C)C1 134068362 XTFIMZLAPOSVMJ-LBPRGKRZSA-N 280.372 0.626 0 50 CCAA CCN1CCC(N(C)C(=O)[C@H](C)NC(C)=O)CC1 112893825 DYHCTKYNTUNHFT-JTQLQIEISA-N 255.362 0.454 0 50 CCAA Cc1nc(N(C)C)nc(NC[C@H]2CNCCO2)c1C 65410322 BQFKVNVYGNLOBP-LLVKDONJSA-N 265.361 0.560 0 50 CCAA O=C(NCCNc1cccnc1)[C@H]1CC(=O)N(C2CC2)C1 65384486 FKYYLWWKPOZZRY-NSHDSACASA-N 288.351 0.621 0 50 CCAA COC(=O)CN1CCC(N[C@@H](C)CSC)CC1 67678515 YZLROVLSAPEFOI-JTQLQIEISA-N 260.403 0.965 0 50 CCAA CCN(CC1CCOCC1)C(=O)[C@@]12CNC[C@@H]1CN(C)C2 65385147 GFVSQDWAEKLETF-GDBMZVCRSA-N 295.427 0.413 0 50 CCAA O=C(c1cccc2c1OCC2)N1CCC(O)(CO)CC1 67756529 BNRIWFSWNYDLPC-UHFFFAOYSA-N 277.320 0.581 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)CCc1c(C)nn(C)c1C 65424366 IIDCHHTWONXSMT-KBPBESRZSA-N 295.383 0.890 0 50 CCAA CC[C@H]1COCCN1C(=O)c1ccn2nnnc2c1 77407913 NRDHZKAQJPCFGV-JTQLQIEISA-N 261.285 0.375 0 50 CCAA COC(=O)c1cccc(C(=O)NCC(F)(F)CN)n1 423539457 IHLSXCHVKYABRU-UHFFFAOYSA-N 273.239 0.192 0 50 CCAA CCOC(=O)C[C@H](O)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C 253404575 MDIPWINHJAZJNZ-RBZYPMLTSA-N 287.356 0.620 0 50 CCAA Cc1ccoc1C(=O)N1CCc2c(ncn(C)c2=O)C1 328630203 PORXXQWCWBQJGN-UHFFFAOYSA-N 273.292 0.880 0 50 CCAA Cn1nncc1CN[C@H]1CCCN(c2cccnn2)C1 329308394 YULDZBCOYVODPY-NSHDSACASA-N 273.344 0.364 0 50 CCAA OCCN1CCN(CCO)[C@H](c2cccc(F)c2)C1 366996504 OGZNWYHJGJQGIH-AWEZNQCLSA-N 268.332 0.469 0 50 CCAA COCCN(CC(=O)O)S(=O)(=O)c1ccccc1 35287578 DCMVOHMHVJRSSL-UHFFFAOYSA-N 273.310 0.408 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2cnn3cccnc23)C1 331566242 JUOKKQXOBZAKHB-ZDUSSCGKSA-N 260.297 0.716 0 50 CCAA NC(=O)[C@@H]1CCCN(C(=O)C2(C3CC3)CCOCC2)C1 373334766 VOOMDVHINYBAAA-LLVKDONJSA-N 280.368 0.917 0 50 CCAA Cc1cc(CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1F 335382895 JTBZAMOLCIDDAT-PHIMTYICSA-N 262.284 0.839 0 50 CCAA Nc1nc(NCCCn2cccn2)cc(C2CC(N)C2)n1 223517803 LNTGKLHUFUSCEV-UHFFFAOYSA-N 287.371 0.962 0 50 CCAA COc1cc(C)ccc1OCCN1CC[C@@H](N)[C@H](O)C1 82119989 DOTHQTSGPVWKHT-CHWSQXEVSA-N 280.368 0.776 0 50 CCAA Cc1c[nH]c(C(=O)N2CCOC[C@@H]2CC(=O)O)n1 223425742 DCGSLNBBSYYJCI-QMMMGPOBSA-N 253.258 0.034 0 50 CCAA O=C(c1c[nH]c(=O)cn1)N1CCC(c2ncon2)CC1 426530550 SXHJLSWUSIBRTP-UHFFFAOYSA-N 275.268 0.173 0 50 CCAA CN1C(=O)C[C@@H](N[C@H]2CCSC2)[C@@H]1c1ccnn1C 284758942 FZBIMQCKZZHCMC-OPQQBVKSSA-N 280.397 0.787 0 50 CCAA OCCCCCNc1cc([C@@H]2CCOC2)ncn1 426544868 BCNXDVYKGQTEBM-LLVKDONJSA-N 251.330 1.555 0 50 CCAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)NCCC(N)=O 426489811 WSDQHSRCJRFMNM-LBPRGKRZSA-N 295.339 0.333 0 50 CCAA CN1CC[C@@H](NS(=O)(=O)Cc2ccccc2)C1 48907774 RCUPNXSBBANEAN-GFCCVEGCSA-N 254.355 0.810 0 50 CCAA CCc1nnsc1C(=O)NCc1cncn1CCOC 426589858 YDASABLKVNQHGB-UHFFFAOYSA-N 295.368 0.873 0 50 CCAA CNCc1nnc(SCCc2nccn2C)n1C 426358957 HBOUIRZDOQMSPE-UHFFFAOYSA-N 266.374 0.603 0 50 CCAA CN(C)c1nsc(N2CCc3[nH]cnc3C2)n1 95381136 VBWDEGGXMJCMAW-UHFFFAOYSA-N 250.331 0.890 0 50 CCAA O=C1OC[C@H](CO)N1CCS(=O)(=O)c1ccccc1 95523652 MTJWMCVDHREYJU-JTQLQIEISA-N 285.321 0.273 0 50 CCAA CCN1CCC[C@@H](C(=O)NCCc2cc[nH]n2)C1 426548897 WLTNGUTYMSFFIC-LLVKDONJSA-N 250.346 0.800 0 50 CCAA CCN1C[C@H](C(=O)N(CC)CCn2cccn2)CC1=O 91487029 MYNHIVMPWWLNOC-GFCCVEGCSA-N 278.356 0.600 0 50 CCAA C[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@]1(C)O 91663225 SWITYABICUAMRP-RNCFNFMXSA-N 260.297 0.572 0 50 CCAA Cc1nc(-c2cn(-c3ccccc3)nn2)n(CCO)n1 96160195 GGBCPUXXNROOFO-UHFFFAOYSA-N 270.296 0.827 0 50 CCAA Nc1nc(CNc2nccc(-c3ccccn3)n2)n[nH]1 96139677 IVGAHVDEAWRZDC-UHFFFAOYSA-N 268.284 0.851 0 50 CCAA CN(C/C=C/c1ccccc1)C(=O)[C@H]1C[C@@H](O)CN1 97532254 WBVMRCDUBLABOT-QLNSKBQOSA-N 260.337 0.881 0 50 CCAA COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 239173762 OPRFJHWXEZHHLK-HGCLJGPKSA-N 277.320 0.991 0 50 CCAA COC(=O)[C@H]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC 242463535 DEIJHCATUHBNIH-HLTSFMKQSA-N 258.270 0.538 0 50 CCAA CCc1nc(O)ccc1C(=O)NCCCN1CCOCC1 1940194791 RNNNOPPDJUCHBY-UHFFFAOYSA-N 293.367 0.802 0 50 CCAA Cc1nnnn1CCC(=O)N1CCCC2(CCOCC2)C1 299798183 QJNBMVYKUIZRKM-UHFFFAOYSA-N 293.371 0.791 0 50 CCAA Cc1nncn1CCN1C[C@H](O)[C@@H](OC(C)C)C1 821956907 YCVNAJSTKLVDMM-RYUDHWBXSA-N 254.334 0.057 0 50 CCAA Cc1cc(C(N)=O)c(NCC2(CO)CCOCC2)nc1C 828692355 UQQAJXQSEHYQNQ-UHFFFAOYSA-N 293.367 0.998 0 50 CCAA COCCN1CCC[C@H](CNC(=O)CN2CCCC2)C1 824413216 WJFCDULRGAEHRK-CQSZACIVSA-N 283.416 0.557 0 50 CCAA O=C(CCc1cn[nH]c1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 584901645 DOYXWYFIQCQPSV-KBPBESRZSA-N 292.383 0.400 0 50 CCAA CN(Cc1c[nH]nc1C(=O)O)CC1(CO)CCC1 670463603 MAGZKVWXCCGDEY-UHFFFAOYSA-N 253.302 0.702 0 50 CCAA COCc1nc(CCc2c(C)nn(C)c2C)n(CCO)n1 670438455 LLIFJNBVGJCTRV-UHFFFAOYSA-N 293.371 0.552 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCCc1nc(C2CC2)no1 670437770 XYWPRRVDODJLCB-SSDOTTSWSA-N 282.300 0.350 0 50 CCAA CN1C[C@H](CNS(=O)(=O)CC2CCCC2)CC1=O 681822069 VSQISDRPFVZLTH-NSHDSACASA-N 274.386 0.574 0 50 CCAA Cc1cc(C)c(CC(=O)N[C@H]2CCNC[C@@H]2O)c(C)c1 1565507321 UQQGFFTXFJNHHL-GJZGRUSLSA-N 276.380 0.993 0 50 CCAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1ccncc1)C2 75935195 UWWDDYXPJCPPKT-OLZOCXBDSA-N 273.336 0.703 0 50 CCAA CC[C@@](C)(CNS(=O)(=O)Cc1cc(C)on1)C(=O)O 217090817 XNFZZPLYBQPNTR-NSHDSACASA-N 290.341 0.903 0 50 CCAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)[C@](C)(O)C(C)C)n1 408387541 WUOKHEXMRBDCSH-OPQQBVKSSA-N 283.328 0.419 0 50 CCAA CO[C@H]1CCCC[C@@H]1NC(=O)N1C[C@H](OC)[C@H](OC)C1 408429594 LIWHTYKYZBNURJ-ZDEQEGDKSA-N 286.372 0.999 0 50 CCAA CC(C)(C)N1C[C@H](NC(=O)c2cncnc2)CC1=O 273699501 JCQDHVXMIFIOCV-SNVBAGLBSA-N 262.313 0.606 0 50 CCAA CNC(=O)C1CN(C(=O)[C@H]2Oc3ccccc3[C@@H]2C)C1 170082681 KZCXJSPGVPIUAX-ZANVPECISA-N 274.320 0.756 0 50 CCAA CC(=O)NC[C@@]1(NC(C)=O)CCN(Cc2ccccc2)C1 515238079 KIWSIWHBXBPCIP-INIZCTEOSA-N 289.379 0.903 0 50 CCAA CCc1nnsc1C(=O)N1C[C@H](C)O[C@@H](COC)C1 170603517 AERNCTMCQJDKAH-DTWKUNHWSA-N 285.369 0.976 0 50 CCAA C[C@H](c1nnnn1C)S(=O)(=O)c1ccc(O)cc1 188932493 NSXNWUYLONOQTK-SSDOTTSWSA-N 268.298 0.451 0 50 CCAA O=C(CN1CCc2ccccc2C1=O)Nc1nc[nH]n1 581923889 WLVUISCBGUWIDE-UHFFFAOYSA-N 271.280 0.442 0 50 CCAA CC(C)CN1CCN(c2nccn(C3CC3)c2=O)CC1=O 195571694 WFVXBQGABQMHHW-UHFFFAOYSA-N 290.367 0.883 0 50 CCAA CCOC(=O)CN(C)C1CN(C(=O)[C@@H](C)CSC)C1 584908717 FUTYQVSZXRCMNV-JTQLQIEISA-N 288.413 0.691 0 50 CCAA CN(C(=O)CN(C)S(C)(=O)=O)c1ccsc1 585125315 NQJCRNUJWDONRS-UHFFFAOYSA-N 262.356 0.602 0 50 CCAA CCn1nccc1C(=O)N1CCc2nc(N)ncc2C1 684062440 UAAHPHUGMHFNRQ-UHFFFAOYSA-N 272.312 0.474 0 50 CCAA O=C(N[C@@H]1CCc2n[nH]cc2C1)N[C@@H]1[C@H]2COC[C@H]21 684396927 BVMIAMOZOWMDLB-SVDPJWKOSA-N 262.313 0.211 0 50 CCAA Cc1cnc2c(cnn2CC(=O)N[C@]23CCC[C@H]2CNC3)c1 1615552997 FTSAVYUOVVGCBW-BBRMVZONSA-N 299.378 0.998 0 50 CCAA CC(C)NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101548536 YKXVHFGWTUJEGT-QWRGUYRKSA-N 264.325 0.852 0 50 CCAA CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2N)C1 128937155 GCOWAFNERXAKQY-QJPTWQEYSA-N 253.346 0.241 0 50 CCAA CN(C)c1ncc(CN2C[C@H]3C[C@@H](O)C[C@H]3C2)cn1 1800414341 NXKOKKZWBKJICI-CLLJXQQHSA-N 262.357 0.745 0 50 CCAA O=C1CO[C@@]2(CCN(c3ncc4c(n3)CCCC4)C2)CN1 1775977335 FRVPNGUQRGNUPV-HNNXBMFYSA-N 288.351 0.451 0 50 CCAA Cc1nsnc1C(=O)N1C[C@@H]2CNC(=O)C[C@@H]2C1 1775981803 WQJHDHIGZILZCE-SFYZADRCSA-N 266.326 0.055 0 50 CCAA O=C(c1ncc(F)cc1F)N1CCC([C@H](O)CO)CC1 1772707750 ZIKHBDYHVWETNJ-LLVKDONJSA-N 286.278 0.565 0 50 CCAA O=C(CC[C@@H]1NC(=O)NC1=O)NC1CCCCCC1 14141965 OYSAPLDYPVIWOQ-JTQLQIEISA-N 267.329 0.814 0 50 CCAA O=C(O)C[C@H](NC(=O)Nc1ccccn1)C(=O)O 169847422 NNICFQVMXXDVHW-LURJTMIESA-N 253.214 0.131 0 50 CCAA Cc1nnc(SCC(=O)NC2=NC(=O)CS2)s1 2890912 WPWJZQPUKGCNQD-UHFFFAOYSA-N 288.379 0.684 0 50 CCAA OCCOc1ccccc1-c1nccn1[C@@H]1CNC[C@@H]1O 1857713119 YDGJHEAEPPLUIH-OLZOCXBDSA-N 289.335 0.426 0 50 CCAA CN1CCN(C(=O)c2cc(Cc3ccccc3)[nH]n2)CC1=O 335364855 JTXPBBRBVFQPFW-UHFFFAOYSA-N 298.346 0.915 0 50 CCAA NC(=O)C1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 12421835 UBKWTCVLFJAVJN-UHFFFAOYSA-N 299.330 0.866 0 50 CCAA C[C@@H](C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O)S(C)(=O)=O 659248269 YPRXETPVLQQXLU-OEZYJKACSA-N 289.353 0.035 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)NCC(C)(C)N 911845750 AKXOWBWCYIQZNN-HNNXBMFYSA-N 277.368 0.649 0 50 CCAA COC/C(C)=C/CN1C(=O)c2cccnc2S1(=O)=O 901530146 HYQCZSLHDZQNBW-WEVVVXLNSA-N 282.321 0.819 0 50 CCAA O=C(CN[C@@H]1C[C@@H](O)C12CCOCC2)NCc1ccco1 931792513 LZWPKGIQIHRLMR-CHWSQXEVSA-N 294.351 0.415 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]1C(F)(F)F 871208964 DZUHPZHSPYTCJU-RNFRBKRXSA-N 250.220 0.698 0 50 CCAA O=C(c1cc(O)cc(=O)o1)N1CC(c2ncc[nH]2)C1 1875296911 VBWVOPOLMITOIV-UHFFFAOYSA-N 261.237 0.308 0 50 CCAA COC(=O)c1cc(C(C)(C)NC(=O)C2CC2)n[nH]1 1875313037 LXNAEXLMPQCANJ-UHFFFAOYSA-N 251.286 0.958 0 50 CCAA Cn1nc(C(=O)N2CCC[C@H]3C[C@@H]32)c2c1CCNC2 1875315322 PDGXKXCDVQVQNZ-CABZTGNLSA-N 260.341 0.690 0 50 CCAA O=C1C[C@H](CNC(=O)N=c2nc(C3CC3)[nH]s2)CCN1 1875306752 OIDLODWVJPOECH-SSDOTTSWSA-N 295.368 0.485 0 50 CCAA O=C(N[C@]1(CO)CC2CCC1CC2)c1cnncc1O 1875396710 RTMRZRHPSXZLPX-FDZGAKKTSA-N 277.324 0.853 0 50 CCAA CC(C)(C)OC(=O)N1CC(C(=O)O)(S(C)(=O)=O)C1 1875360086 YLUYXNCGTYTSRG-UHFFFAOYSA-N 279.314 0.105 0 50 CCAA C[C@H](NCc1nnn(C)n1)C1CN(C(=O)OC(C)(C)C)C1 252507974 WZAUJPGIUUVKFK-VIFPVBQESA-N 296.375 0.555 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(C)C(=O)C[C@H](N)c1ccccc1 170682396 AMSBTOJPYHRJTI-AAEUAGOBSA-N 298.408 0.968 0 50 CCAA Cc1ccc(C(=O)N2CCC[C@H](OCCO)C2)n1C 178661541 SUXLDJRHPBASEC-LBPRGKRZSA-N 266.341 0.947 0 50 CCAA CO[C@H]1C[C@@H](CO)N(S(=O)(=O)CCC(C)(C)C)C1 310838275 KBPCLNPXPDMKGL-QWRGUYRKSA-N 279.402 0.834 0 50 CCAA Cn1nc(C(=O)NC[C@H](C(=O)O)C2CCC2)ccc1=O 663147625 NFLYNKKKPOWJEB-VIFPVBQESA-N 279.296 0.011 0 50 CCAA O=C(Cc1cc(F)cc(F)c1)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 2100544947 CBWQYVAIVWYOGG-OIMNJJJWSA-N 299.273 0.151 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)CCc1cn[nH]c1)C2 2356134626 VDOKGEHFFGAXSE-JSGCOSHPSA-N 279.340 0.464 0 50 CCAA COCCN1Cc2nnc(-c3coc(C)n3)n2[C@@H](C)C1=O 2356161762 ISVXHOZVNGEXQC-QMMMGPOBSA-N 291.311 0.791 0 50 CCAA CCNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 6747085 YTUSCWGWNHOQIF-UHFFFAOYSA-N 258.299 0.092 0 50 CCAA CCOC(=O)C[C@H]1C(=O)NCCN1C1CCCC1 55008581 NIRMRGKOYCQDGE-NSHDSACASA-N 254.330 0.683 0 50 CCAA CN1CCN(Cc2noc(C3(N)CCCC3)n2)CC1 67770970 AHNUGWFQICFQAV-UHFFFAOYSA-N 265.361 0.545 0 50 CCAA COc1ccc(OCC(=O)OCCN2CCOCC2)cc1 20065009 MSUZMUJYXPQXID-UHFFFAOYSA-N 295.335 0.949 0 50 CCAA CCN(CC)c1nc(N)cc(N2CC[C@@H](NC(C)=O)C2)n1 65459826 IYQDZSQZBHHFKQ-LLVKDONJSA-N 292.387 0.620 0 50 CCAA O=C([C@@H]1CCCN1)N1CCO[C@@H]([C@@H]2CCCO2)C1 237942122 WEWQJSYRMCYPEE-SDDRHHMPSA-N 254.330 0.145 0 50 CCAA CN1C[C@@H](N)C[C@H]1C(=O)NCc1cccc(-n2cccn2)c1 67909247 VOZILSRQLZWSNL-ZFWWWQNUSA-N 299.378 0.520 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)CN1C 65498429 IJGVHVCXLRQHCC-PWSUYJOCSA-N 292.339 0.069 0 50 CCAA CN(C)[C@H]1CCN(C(=O)NCCC(=O)N2CCCCC2)C1 170829470 DSFHLEIWUODEHK-ZDUSSCGKSA-N 296.415 0.735 0 50 CCAA O=C(c1ccc2cccnc2n1)N1CCC(O)(CO)CC1 67946797 NOWLWIKWAMIAOD-UHFFFAOYSA-N 287.319 0.589 0 50 CCAA COC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ncccn2)C1 252551340 UCODBVFRPLCDJL-NXEZZACHSA-N 263.297 0.938 0 50 CCAA CCOC(=O)C(F)(F)[C@H](NCC(=O)OC)C1CC1 328595690 ASNWKDBOXRZZTP-SECBINFHSA-N 265.256 0.726 0 50 CCAA Cc1nc(N2CCC(=O)NC[C@@H]2C)c2cnn(C)c2n1 72148490 FCGZTYZRUTUFFB-QMMMGPOBSA-N 274.328 0.387 0 50 CCAA O=C(NCCc1c[nH]cn1)c1cn(-c2ccccc2)nn1 72171305 OSRZQPJONRXYLV-UHFFFAOYSA-N 282.307 0.963 0 50 CCAA CCC(CC)N1C[C@H](C(=O)NCCC(=O)O)CC1=O 154805028 RTZXLWCGENAETR-SECBINFHSA-N 270.329 0.614 0 50 CCAA CCc1ncnc(N[C@@H]2CCS(=O)(=O)C2)c1F 217958428 NCVYWFKUTQTHSM-SSDOTTSWSA-N 259.306 0.777 0 50 CCAA COc1cccc(F)c1C(=O)NC[C@@H]1COCCO1 216431982 NCBIIAMYCVZKOU-SECBINFHSA-N 269.272 0.980 0 50 CCAA Cc1nc(C(=O)N(C)[C@H]2CCCCNC2=O)c(=O)[nH]c1C 371401562 PVEIJBKUEOBHLW-JTQLQIEISA-N 292.339 0.127 0 50 CCAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cnc[nH]1 219582279 IJFDONNCEXVSLK-UHFFFAOYSA-N 291.355 0.820 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCOc1ccc2c(c1)OCO2 262635030 OYPZYAZGODRKLI-NXEZZACHSA-N 293.275 0.631 0 50 CCAA O=C(O)[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 238071131 FWFPQKPPKHPEDR-JTQLQIEISA-N 288.307 0.755 0 50 CCAA COCc1cccc(CN2C[C@@H](OC)C[C@H]2C(N)=O)c1 284504848 HJXKNMRTUCVQNL-KBPBESRZSA-N 278.352 0.908 0 50 CCAA O[C@]1(c2c[nH]nn2)CCN(c2ccc(Cl)cn2)C1 284564700 OOLFWWWFLCRAIB-LLVKDONJSA-N 265.704 0.951 0 50 CCAA Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)nn1C 340144738 UMPYMUWQNBKQLS-NSHDSACASA-N 271.342 0.036 0 50 CCAA CCc1nccn1CCNC(=O)Cn1nc(C)cc1N 223767383 PHNQXEDIOYQNRG-UHFFFAOYSA-N 276.344 0.349 0 50 CCAA Cc1cncc(CN2C[C@H](c3cnn(C)c3)[C@@H](C(N)=O)C2)c1 286747114 LKJLCYWGJWZBLE-CABCVRRESA-N 299.378 0.824 0 50 CCAA CCCN(CC(=O)O)C(=O)c1cncc(-n2ccnn2)c1 263447744 RJEQQKCPSRSLDA-UHFFFAOYSA-N 289.295 0.599 0 50 CCAA O=C1N[C@H](C(=O)NCCn2ccc3ccccc32)CO1 426415418 OJCYLGWGXCBWKR-NSHDSACASA-N 273.292 0.866 0 50 CCAA CCc1c(C)nn(CCNC(=O)c2c[nH]c(=O)cn2)c1C 426438845 LKABANGSBYMZFY-UHFFFAOYSA-N 289.339 0.576 0 50 CCAA COC[C@@H]1CCCCN1C(=O)Cn1cccc(OC)c1=O 95519141 SJBAYPYCYUCJNB-LBPRGKRZSA-N 294.351 0.884 0 50 CCAA Cc1c(C(=O)N2CCN3C(=O)OC[C@@H]3C2)ccn1C 426635223 CPZWBCITDHLZPA-JTQLQIEISA-N 263.297 0.610 0 50 CCAA O=C(Cc1ccccn1)N1CCC2(CC1)[C@@H](O)C[C@H]2O 91746888 RDCDRLGOPRHLKL-BETUJISGSA-N 276.336 0.358 0 50 CCAA Cn1c(CO)nnc1C1CCN(c2ncccn2)CC1 92062412 YLHLTXQCSPWUJB-UHFFFAOYSA-N 274.328 0.481 0 50 CCAA Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(CO)O2)c1 245226546 BMZYEQKNCJNHEB-IATRGZMQSA-N 285.299 0.800 0 50 CCAA COc1c[nH]c(C(=O)NCCNc2ncccn2)cc1=O 524732299 IGVQZUCWVHOTKQ-UHFFFAOYSA-N 289.295 0.015 0 50 CCAA CC[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1C(C)C)[C@H]42)[C@H]3O 244811825 SLSXWDFLKWDBEQ-PPGRAQPQSA-N 251.326 0.985 0 50 CCAA CCc1nc(CN2CCCN(c3ncccn3)CC2)n[nH]1 244716273 LMBYQVBWURQYFB-UHFFFAOYSA-N 287.371 0.869 0 50 CCAA Cc1cccc([C@@H]2C(=O)NCCN2C(=O)Cn2cccn2)c1 620358473 WLZWTZNSKIIZRU-OAHLLOKOSA-N 298.346 0.891 0 50 CCAA C[C@@H](CNC(=O)c1ccc(F)cn1)CN1CCOCC1 182462036 XUKYFKTYADITIH-NSHDSACASA-N 281.331 0.919 0 50 CCAA Cc1ccc(C(=O)N2CCO[C@H]3CNC[C@H]32)cc1F 299743039 LRJRZNKWKVFDGR-OLZOCXBDSA-N 264.300 0.947 0 50 CCAA CC(C)n1ccnc1CN[C@H](C)CN(C)CCO 534671688 YRAUUHOAQNQHPN-GFCCVEGCSA-N 254.378 0.866 0 50 CCAA Cc1nc(CN2CCN(CC(=O)O)C(=O)[C@@H]2C)n(C)c1C 534667443 OOQFMKYRGRGXPL-NSHDSACASA-N 294.355 0.154 0 50 CCAA Cc1n[nH]c(CN(C)CC2(CO)CCOCC2)n1 299788951 XMPCFAUBDXHWDP-UHFFFAOYSA-N 254.334 0.334 0 50 CCAA CSCCN1CCN(C(=O)Cn2cccn2)CC1 299778608 HMZOEUNQACKEQO-UHFFFAOYSA-N 268.386 0.390 0 50 CCAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2nc[nH]n2)n1 584899604 KWKRAYOPPKEBSS-UHFFFAOYSA-N 286.217 0.852 0 50 CCAA COc1cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)ccn1 584901318 BPPZEJVYCOUOAW-SNVBAGLBSA-N 263.297 0.441 0 50 CCAA CCc1csc(CNC(=O)CCNS(C)(=O)=O)n1 670452051 PPEXDBPQVPSOMN-UHFFFAOYSA-N 291.398 0.261 0 50 CCAA Cc1c(NC(=O)CN2CCc3ccccc3C2=O)nnn1C 1361731212 YXJAKWMWIUOWIO-UHFFFAOYSA-N 299.334 0.761 0 50 CCAA CN1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1(C)C 408524113 XYBDIRSIENOFLO-LLVKDONJSA-N 267.373 0.598 0 50 CCAA CCN(CC(=O)OC)Cc1c(CO)cnc(C)c1O 408513975 XOVFMGZBABQVHJ-UHFFFAOYSA-N 268.313 0.583 0 50 CCAA CN(C[C@@H]1CCCO1)C(=O)c1ccc(C(N)=O)nc1 187057609 OOXSHQNAPYALPR-JTQLQIEISA-N 263.297 0.432 0 50 CCAA COc1nc(C)cc(N[C@@H]2C[C@H](C(=O)O)C[C@H]2O)n1 662895986 HSGKIHPIZVVJCJ-DJLDLDEBSA-N 267.285 0.430 0 50 CCAA C[C@@H]1CN(Cc2nnn(C)n2)CCN1CC(F)(F)F 193001444 AOGRGCMRLAPZHY-MRVPVSSYSA-N 278.282 0.279 0 50 CCAA Cc1cnn([C@@H]2CCN(C(=O)c3ccc4nnnn4c3)C2)c1 562320795 RFYUMFVAVYWBRI-GFCCVEGCSA-N 297.322 0.716 0 50 CCAA O=C(O)c1cn([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)nn1 649254934 XQSCZUFLJIPKOS-MWLCHTKSSA-N 294.311 0.319 0 50 CCAA CC(C)(C)c1nsc(N2CCOC[C@H]2CC(N)=O)n1 571017539 YKFFERJYODFNMC-MRVPVSSYSA-N 284.385 0.916 0 50 CCAA CSC[C@H](NC(=O)c1csc(C)n1)C(=O)O 1506427736 MXNCBQBVDQRKJF-ZETCQYMHSA-N 260.340 0.998 0 50 CCAA CCC1(CC)CNC(=O)[C@H]1NC(=O)c1ccnnc1C 1615547379 HVNUWPLRJRNGAI-LLVKDONJSA-N 276.340 0.820 0 50 CCAA Cc1nc([C@H]2CCN(C(=O)c3snnc3C)C2)n[nH]1 1650199953 OPZNOQJTSGJMFW-QMMMGPOBSA-N 278.341 0.903 0 50 CCAA CSCC[C@H](O)C(=O)NCCc1nc(C)cc(C)n1 216219868 RXJFCRWCOHQZSB-NSHDSACASA-N 283.397 0.866 0 50 CCAA CO[C@H]1CCCN(c2nccc(NCC(=O)O)n2)C1 1529155578 UPEHAGNYAURWSN-VIFPVBQESA-N 266.301 0.588 0 50 CCAA CCCn1nnnc1NC(=O)c1oc(C)nc1C 1875249070 CLMPZPQRCIQJAB-UHFFFAOYSA-N 250.262 0.940 0 50 CCAA COc1nc(N[C@H](C)Cn2cncn2)ncc1F 1704351874 KPLGJTZTEIOYJK-SSDOTTSWSA-N 252.253 0.716 0 50 CCAA CCc1ccnc(C(=O)N[C@H]2CCCS(=O)(=O)C2)c1 330700492 IGGDNYKZPCUNMT-NSHDSACASA-N 282.365 0.951 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1ccco1 643945586 JJYWSLFWJXPRIH-LBPRGKRZSA-N 252.270 0.386 0 50 CCAA CC[C@H](C)OCC(=O)N1CCC([C@H](O)C(=O)OC)CC1 443879147 FKGDBXNOYXATBD-GWCFXTLKSA-N 287.356 0.574 0 50 CCAA C/C=C/CCCC(=O)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772711249 GOEUYXOFSHDIPR-PKSGFQROSA-N 253.342 0.792 0 50 CCAA C[C@H](CCNC(=O)c1cnc(C(N)=O)cn1)N1CCCC1 1772708301 FMLYUIKYOJVINH-SNVBAGLBSA-N 291.355 0.180 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 4743912 WWVCWLBEARZMAH-QWRGUYRKSA-N 265.265 0.843 0 50 CCAA in-vitro Nc1cncc(N2CCN(CC3CC3)[C@@H](CCO)C2)n1 1857673929 OTWCUBGQIZITCM-LBPRGKRZSA-N 277.372 0.342 0 50 CCAA COC(=O)c1cccc(CN2CC3(CNC(=O)N3C)C2)c1 1857705888 ZKMHYOMIIKREQQ-UHFFFAOYSA-N 289.335 0.683 0 50 CCAA C[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@@H]1N 333304556 QPQAPMJAMHTETN-SKDRFNHKSA-N 258.325 0.911 0 50 CCAA NC(=O)[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 132315316 VRLKOQBNXRVERN-QWRGUYRKSA-N 266.272 0.647 0 50 CCAA NC[C@H]1CC[C@H](CN=c2[nH]ccn3nnnc23)CC1 562833198 YJPXELLDWIEEGF-MGCOHNPYSA-N 261.333 0.118 0 50 CCAA Cc1nc(N2CCN(C[C@H](O)c3ccccn3)CC2)n[nH]1 931629720 UIKZBOFVLHGZPV-ZDUSSCGKSA-N 288.355 0.364 0 50 CCAA CC[C@@H](C(=O)N1CCS(=O)(=O)CCO1)n1cccn1 1875295626 LOJYOUWZUIMRBL-JTQLQIEISA-N 287.341 0.023 0 50 CCAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1)c1ccccn1 1875300403 BTAXSABYGZNOIO-CBAPKCEASA-N 252.295 0.770 0 50 CCAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CC(N)=O)C1 888102666 DTJVVASKIXBTLT-ZJUUUORDSA-N 252.318 0.274 0 50 CCAA COC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C(=O)O)C2)nn1 263203040 MQCSKDHQESOZMC-DTWKUNHWSA-N 279.296 0.810 0 50 CCAA O=C(NCc1cc(F)cc(F)c1)[C@H]1C[C@H](O)CN1 299748726 HYUUEBYIACHXGO-WDEREUQCSA-N 256.252 0.304 0 50 CCAA CN(C)[C@H]1CN(S(=O)(=O)CC2CCCC2)C[C@@H]1O 632349943 PJZFTPOMXXXGBG-RYUDHWBXSA-N 276.402 0.113 0 50 CCAA COCc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2)cc1 361969222 WTXGVMGOXKNGIV-STQMWFEESA-N 264.325 0.172 0 50 CCAA COc1cc(CN2C[C@H](OC)C[C@H]2CO)ccn1 375409508 VOEXKLAYTDYNCZ-NWDGAFQWSA-N 252.314 0.672 0 50 CCAA Cn1nccc1CCC(=O)N[C@H]1C[C@H](Cn2cncn2)C1 2325782423 YRPRNUAYKMQRHZ-HAQNSBGRSA-N 288.355 0.539 0 50 CCAA CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 1072712 OASVRQHVOOSNAH-SSDOTTSWSA-N 260.290 0.239 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@@]12CCCNC2=O 2356143914 CIPSLFVBGSCWCJ-OAHLLOKOSA-N 288.351 0.783 0 50 CCAA NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 7304940 QYBXSRWKMOKNOL-MRVPVSSYSA-N 274.367 0.634 0 50 CCAA Cc1cc(C[C@H](C)NC(=O)Cn2nccc2C)[nH]n1 67673312 SXXXHKQPVVJPRN-VIFPVBQESA-N 261.329 0.970 0 50 CCAA CN1CC[C@H](NC(=O)COCc2ccccc2)C1=O 172552281 GSSVSVXJXJFBPL-LBPRGKRZSA-N 262.309 0.550 0 50 CCAA COc1cccc(CC(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)c1 344963459 AKNVKYCWVYPQID-STQMWFEESA-N 292.335 0.339 0 50 CCAA COCc1cc(CNC(=O)c2c(O)cccc2O)n[nH]1 67589040 OWCHNHUQKGTGIM-UHFFFAOYSA-N 277.280 0.897 0 50 CCAA C=Cc1ccc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC)cc1 67846746 BLOINOLDSNRHSV-OLZOCXBDSA-N 273.336 0.617 0 50 CCAA COCCN(CC(=O)N(C)C)Cc1ccncc1 118888540 LOUKNPDIOPJTDR-UHFFFAOYSA-N 251.330 0.618 0 50 CCAA O=C(CCCc1cn[nH]c1)N1CCC(O)(CO)CC1 67787240 NLONQUUZNMUALI-UHFFFAOYSA-N 267.329 0.078 0 50 CCAA CN(C[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1CCOC1=O 328625308 CYVOLYFQSXYBKY-SDDRHHMPSA-N 294.330 0.641 0 50 CCAA COCCN1CCN(c2ccnc(C)n2)CC1=O 121493154 OFRYAKCDCHLZIK-UHFFFAOYSA-N 250.302 0.080 0 50 CCAA Cc1nc(C)c(CC(=O)N2C[C@H](C)N[C@H](C)C2)c(=O)[nH]1 153226231 WOGXJSKFLHYKJX-DTORHVGOSA-N 278.356 0.138 0 50 CCAA O=C(Nc1nccs1)N1CCN2CCOC[C@@H]2C1 363797463 OXJNBJJYJSZUKZ-VIFPVBQESA-N 268.342 0.691 0 50 CCAA O=S1(=O)CCC[C@H](CS(=O)(=O)[C@@H]2CCCOC2)C1 328898269 WNSVRSLXLHPJHG-WDEREUQCSA-N 296.410 0.405 0 50 CCAA CCc1nc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)n[nH]1 328998893 WZTSDOIOYJBXGE-TUAOUCFPSA-N 280.372 0.729 0 50 CCAA CC(C)N(CCC(N)=O)S(=O)(=O)NCc1ccccc1 72155964 BCRVYCFEGFNEEE-UHFFFAOYSA-N 299.396 0.607 0 50 CCAA Cc1cc(CN(C)S(=O)(=O)[C@@H]2CCOC2)no1 329559629 MAFWIKHVYFRXQA-SNVBAGLBSA-N 260.315 0.534 0 50 CCAA CCN1CCC[C@@H](NC(=O)N[C@@H](CO)c2cnn(C)c2)C1 333984679 HFMULPJYLWFQQA-OLZOCXBDSA-N 295.387 0.237 0 50 CCAA CO[C@H]1C[C@@H](C(=N)O)N(CC(=O)N(C)CC(F)(F)F)C1 330511775 BNILUXQWEPXUOB-YUMQZZPRSA-N 297.277 0.632 0 50 CCAA CCN1Cc2nc(OC)c(CN[C@@H](C)CCO)cc2C1=O 71760780 NJRIPNRCVIDACP-JTQLQIEISA-N 293.367 0.926 0 50 CCAA CNC(=O)[C@@H](C)N(c1cccc(OC)c1)S(C)(=O)=O 72436782 COBCCVBJYYWOAV-SECBINFHSA-N 286.353 0.596 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CC2)CCO1 238196448 LJERFJQCMBQKRF-GMTAPVOTSA-N 253.298 0.735 0 50 CCAA CCN(Cc1nc(COC)no1)C(=O)CN1CCCC1 222887488 GYXCGNRDCLFYQU-UHFFFAOYSA-N 282.344 0.660 0 50 CCAA C[C@@H](OCC(F)(F)F)C(=O)N1CCOC[C@@H]1C(=O)O 521362961 DOSOPLZALXWNJB-RNFRBKRXSA-N 285.218 0.266 0 50 CCAA CN(CC1(CO)CCC1)c1cc(C2CC(N)C2)nc(N)n1 223552446 HORQFIWRSKUKES-UHFFFAOYSA-N 291.399 0.862 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(C(F)F)[nH]n1 426596635 QVUXBDXQFUQGAQ-UWVGGRQHSA-N 288.298 0.796 0 50 CCAA CCOc1ncccc1C(=O)N1C[C@H](O)[C@@H](OCC)C1 220040056 JFUYQOAUDGBEIW-RYUDHWBXSA-N 280.324 0.702 0 50 CCAA CCN(C)C[C@@H]1CN(c2cncc(C(=O)O)n2)C[C@@H]1CO 91468646 NQSQQDSCXVBNEP-GHMZBOCLSA-N 294.355 0.171 0 50 CCAA C[C@@H](CCO)N1CCCN(C)C2(CCNCC2)C1 426522853 IDNNUIQAUWLKDH-ZDUSSCGKSA-N 255.406 0.517 0 50 CCAA CN(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CCNC1 179111188 IVDDUKNONNUTPU-IUCAKERBSA-N 293.289 0.218 0 50 CCAA CC(C)CN1CCN(c2ccc3nncn3n2)CC1=O 295120103 WREKFJUSYOZFLE-UHFFFAOYSA-N 274.328 0.429 0 50 CCAA CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@H](O)[C@H]1C 257358411 UDGNJVOMHNFBJL-DVLUHMITSA-N 282.336 0.932 0 50 CCAA COCCN(C)CC(=O)N[C@@H](C)c1ncc(C)[nH]1 534642963 IZNUOIVCNHSSOV-JTQLQIEISA-N 254.334 0.474 0 50 CCAA C[C@H](Cn1cncn1)c1ncnn1CC(C)(C)O 822279789 NUVSUHKCLCWZPL-SECBINFHSA-N 250.306 0.444 0 50 CCAA CN(C)[C@H]1CN(C2CSCCSC2)C[C@@H]1O 823730039 FJGXPCOLYPYGJC-QWRGUYRKSA-N 262.444 0.442 0 50 CCAA Cc1cc(=O)cc(C(=O)NC(C)(C)CN2CCOCC2)o1 584901748 BDBGNLUZNGDGHW-UHFFFAOYSA-N 294.351 0.789 0 50 CCAA Cc1nnnn1CCC(=O)NC1(C(N)=O)CCCCCC1 584884439 KRVSIGHJSWYSOB-UHFFFAOYSA-N 294.359 0.066 0 50 CCAA CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)CC(F)(F)F)C1 685941023 NYONAIWHPAUZOD-BQBZGAKWSA-N 296.245 0.377 0 50 CCAA CC(C)(C)OC(=O)N1CC(O)([C@H](N)C2CCOCC2)C1 958527838 GMZYSAALVUGUJN-LLVKDONJSA-N 286.372 0.722 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)c2cnc(C)c(C)c2)[C@@H](O)C1 1565514348 VXOYLJPTNPMQLM-KBPBESRZSA-N 291.351 0.410 0 50 CCAA Cc1ncc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)O)C2)n1C 629295080 HRISUJBBQLZHNF-RKDXNWHRSA-N 285.325 0.036 0 50 CCAA CCn1ncc2ncn(Cc3ccn(C)c(=O)c3)c(=O)c21 631018413 LILFHWPJKYJFMI-UHFFFAOYSA-N 285.307 0.360 0 50 CCAA Cc1ccnc(N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)n1 275539859 MNKUDOZEVZNSIB-YPMHNXCESA-N 286.339 0.950 0 50 CCAA O=C(CNC(=O)C1CC1)Nc1cc(C(=O)O)cs1 577815453 MUJQJEDZCDMTTL-UHFFFAOYSA-N 268.294 0.911 0 50 CCAA C[C@@H](C(=O)N[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C1CC1 1615585725 CFHVAHXGLVBIIR-MWLCHTKSSA-N 276.340 0.688 0 50 CCAA Cc1n[nH]cc1CN(C)c1nc(C(N)=O)cs1 1529104778 SSTJLKHRDWWVEN-UHFFFAOYSA-N 251.315 0.910 0 50 CCAA Cc1cnc(N2CCN3C(=O)OC[C@@H]3C2)nc1N(C)C 1704352621 AZRXJGVBTWFKJL-JTQLQIEISA-N 277.328 0.492 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC[C@@H](OC)C(C)(C)C1 861901251 WMMBPLLQNJQQHI-LLVKDONJSA-N 268.357 0.904 0 50 CCAA OCC1(CO)[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]21 1772812355 GLWSLZFSTYJTAN-YUMQZZPRSA-N 289.257 0.532 0 50 CCAA O=C(NCCn1cc(Cl)cn1)[C@@H]1CCc2ncnn2C1 1857714594 XTOYXDZEZXJVNG-SECBINFHSA-N 294.746 0.507 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 238100897 LOZMQORAVYTVDN-NSHDSACASA-N 286.291 0.814 0 50 CCAA Cc1ccc(CC(=O)N=c2ccn([C@H]3CCNC3)[nH]2)cn1 548673096 VWORWYBVSXIEFV-ZDUSSCGKSA-N 285.351 0.724 0 50 CCAA COCc1nc(C(=O)N[C@H]2CCC(=O)NC2(C)C)co1 670005814 JDLYKQTXRQVKNW-VIFPVBQESA-N 281.312 0.608 0 50 CCAA CNc1ncc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)s1 907520749 ZKIGZIHFVUSFIK-VHSXEESVSA-N 298.412 0.712 0 50 CCAA CN1CCN(C(=O)COc2ccc(F)cc2)CC1 19589751 IYLQQVZQWRJIRO-UHFFFAOYSA-N 252.289 0.979 0 50 CCAA Cc1cccc(C(=O)N2CC3(C[C@H](O)CNC3=O)C2)c1C 952880508 BNSDIZBMRIICHF-LBPRGKRZSA-N 288.347 0.626 0 50 CCAA O=C([C@H]1CCCS1)N1CCC[C@@H](Cc2nn[nH]n2)C1 952882540 SDJWEYFVSVYZMU-VHSXEESVSA-N 281.385 0.876 0 50 CCAA Cc1c[nH]cc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 885304343 WNMJRILRELUDGT-VIFPVBQESA-N 271.342 0.074 0 50 CCAA CC[C@H]1C(=O)NCCCN1C(=O)[C@@H]1C[C@H]1c1cncn1C 886531539 JUGQUDCHEVNBPF-UTUOFQBUSA-N 290.367 0.651 0 50 CCAA Cc1cnc(S(=O)(=O)Cc2cnn(CCF)c2)nc1 899470675 LSXFFFJCCIUBRG-UHFFFAOYSA-N 284.316 0.925 0 50 CCAA CC(C)(CN1CCCCC1)NC(=O)c1c[nH]nn1 308708995 RUYDFGZZCZLUJE-UHFFFAOYSA-N 251.334 0.799 0 50 CCAA O=C(O)CN(C(=O)[C@H]1CCCS1(=O)=O)C1CCC1 655587628 VYOZMQYUGBHRGR-SECBINFHSA-N 275.326 0.029 0 50 CCAA O=C(c1ccncc1F)N1CC[C@H](c2nn[nH]n2)C1 720609383 QAVARHAOJPGIRM-ZETCQYMHSA-N 262.248 0.364 0 50 CCAA O=C(CN1CCOCC1)NC1(C(=O)O)CCCCCC1 902000339 ULFOGPOQIZTXTI-UHFFFAOYSA-N 284.356 0.612 0 50 CCAA CCCCc1ncc(CN2CCO[C@H](c3nn[nH]n3)C2)[nH]1 2100473624 OAXCCVVQIPXKIH-NSHDSACASA-N 291.359 0.839 0 50 CCAA N[C@H]1CCO[C@H](CN2CCCc3ccccc3C2)[C@H]1O 2100548162 WLAKVCSNOCBQKO-XHSDSOJGSA-N 276.380 0.912 0 50 CCAA Nc1c(C(=O)NC2COC2)cnn1-c1ccccc1 2325772222 BHXRPCMSLPYNAU-UHFFFAOYSA-N 258.281 0.583 0 50 CCAA O=C([C@H]1CCSC1)N1CCN(c2cn[nH]c2)CC1 2325802044 DMEUQZVMWSATJI-JTQLQIEISA-N 266.370 0.811 0 50 CCAA S=C1NC(=S)NC(c2ccc3c(c2)OCO3)N1 2875449 ZMQWNPUOWGUZPN-UHFFFAOYSA-N 267.335 0.766 0 50 CCAA COCCS(=O)(=O)NC[C@H]1Cc2ccccc21 225532004 PWNPRZWJODZTCG-LLVKDONJSA-N 255.339 0.892 0 50 CCAA NCCNC(=O)NCC1(N)C2CC3CC(C2)CC1C3 418294051 GOALBFUSTSZYLA-UHFFFAOYSA-N 266.389 0.398 0 50 CCAA CCn1c([C@@H]2CCCNC2)nn(Cc2ncccn2)c1=O 67489796 HFAQGMAZWDSFIN-LLVKDONJSA-N 288.355 0.370 0 50 CCAA C[C@H](C(=O)N(C)C)N(C)CC(C)(C)N1CCOCC1 67513497 FBHHTMUXCPAFJR-GFCCVEGCSA-N 271.405 0.506 0 50 CCAA CCn1c([C@@H]2CCCNC2)nn(CC(F)F)c1=O 67982734 RRGVOTGKRVRLIU-MRVPVSSYSA-N 260.288 0.797 0 50 CCAA Cc1nc2ncccn2c1C(=O)N1[C@H]2CC[C@@H]1CC(=O)NC2 65466400 PFFGTDCRAYQOJS-MNOVXSKESA-N 299.334 0.531 0 50 CCAA CN(CC(=O)c1ccc(O)cc1)C(=O)C1=NNC(=O)CC1 67820821 KJSVUOWSHGBTFI-UHFFFAOYSA-N 289.291 0.299 0 50 CCAA C[C@@H]1O[C@H](C)[C@@H](C(=O)N2CCCN(CC(=O)O)CC2)[C@H]1C 252680515 AWYPYRMUTLSTFJ-FMSGJZPZSA-N 298.383 0.665 0 50 CCAA CN(C)[C@@H]1CCN(Cc2cc3n(n2)CCCNC3)C1 72153657 ZBKPZGCHKLLZLW-CYBMUJFWSA-N 263.389 0.512 0 50 CCAA CNCCCNC(=O)c1ccc(N2CCCC2)nn1 121627875 ZXCRICBMLNHBPK-UHFFFAOYSA-N 263.345 0.416 0 50 CCAA NC(=O)c1noc([C@H]2CCCN2CCOCC2CC2)n1 328655817 YTGYIWXLGDTZIJ-SNVBAGLBSA-N 280.328 0.732 0 50 CCAA COC1CN(C(=O)C(C)(C)S(=O)(=O)C2CC2)C1 328798477 GDULFLYDYDUWAJ-UHFFFAOYSA-N 261.343 0.199 0 50 CCAA C[C@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)CCO1 257365231 VQMOHCHDMLDJKJ-RYUDHWBXSA-N 278.356 0.663 0 50 CCAA Cn1cc(NC(=O)[C@@H]2C[C@@H]3CCCCN3C2)cc1C(N)=O 364090507 NTKVKKSGUPEKJB-PWSUYJOCSA-N 290.367 0.937 0 50 CCAA COCC1(C(=O)N2CCC[C@H](N3CCNC3=O)C2)CCC1 367354498 RNUBSEMFOFMSSO-LBPRGKRZSA-N 295.383 0.819 0 50 CCAA Cc1cc(N2C(=O)[C@@H]3COCCN3C2=O)c(C)cn1 375947570 VTLKVOOGWNCFOO-NSHDSACASA-N 261.281 0.866 0 50 CCAA Cc1cc(N2CCC(c3nc(O)n[nH]3)CC2)ncn1 333489642 URBQCHSAHBSNEV-UHFFFAOYSA-N 260.301 0.993 0 50 CCAA O=C(N1CC[C@@H](c2nc[nH]n2)C1)C1(O)CCCCC1 333539141 ZONSHLVZUQUYLP-SNVBAGLBSA-N 264.329 0.816 0 50 CCAA CN(C)c1cc2c(nn1)CCN(c1cncc3nncn13)C2 378616159 BMQIBVQJAAFVSY-UHFFFAOYSA-N 296.338 0.543 0 50 CCAA COc1ccnc(N2C[C@H](OC)C[C@H]2c2nc(C)n[nH]2)n1 284426209 ABPAPWMPYGMXOU-ZJUUUORDSA-N 290.327 0.878 0 50 CCAA COC[C@H]1CN(C(=O)Cc2ccnn2C)CC(C)(C)O1 284915790 CGUZRLIAGZHLCO-GFCCVEGCSA-N 281.356 0.615 0 50 CCAA Cn1ncnc1CCNc1cc(C2CC(N)C2)nc(N)n1 222348834 UPODHIZJEPWWBB-UHFFFAOYSA-N 288.359 0.047 0 50 CCAA Cn1c(-c2ccccc2)cnc1S(=O)(=O)C[C@H](O)CO 178558504 VRSOXSCRQCYHGZ-LLVKDONJSA-N 296.348 0.214 0 50 CCAA COc1ncc(C(=O)NCCCn2ccnc2C)cn1 426511972 CAXGAWXWICTPDQ-UHFFFAOYSA-N 275.312 0.810 0 50 CCAA Cn1cc(C(=O)N2CCOC[C@H]2C(N)=O)c2ccccc21 180219667 PDSQNGSIEMDMFQ-ZDUSSCGKSA-N 287.319 0.505 0 50 CCAA CC(=O)NCCNC(=O)Nc1ccc(C)nc1C 96132989 VGDBVHFHIQYPCN-UHFFFAOYSA-N 250.302 0.956 0 50 CCAA COCCN1C[C@@H](NC(=O)Nc2cncc(C)c2)CC1=O 97370373 AGKXEFATYGFCOJ-LBPRGKRZSA-N 292.339 0.759 0 50 CCAA Cc1cc(CNC(=O)CCn2c(C)cccc2=O)n(C)n1 97547621 OQEZLQKZRSMXMO-UHFFFAOYSA-N 288.351 0.905 0 50 CCAA CC[C@H](C)[C@H](NC(=O)Nc1cn(C(C)C)nn1)C(N)=O 95507483 MZQGMZJFWCMLTJ-WPRPVWTQSA-N 282.348 0.881 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25CC6(CC6)C[C@]12[C@H]5[C@H]43 248023790 IUHGBXUQVZUVDO-SOAICSKUSA-N 283.331 0.510 0 50 CCAA N[C@H]1CC[C@@H](CN2CCO[C@@]3(CNCCOC3)C2)CC1 244691584 JFIXZGXGOBCKGX-ZNMIVQPWSA-N 283.416 0.195 0 50 CCAA CCOC1CN(C(=O)c2nnc3ccccc3n2)C1 294827133 MKCFFFIXLRJNJB-UHFFFAOYSA-N 258.281 0.886 0 50 CCAA Cc1n[nH]c([C@H]2CCCN2CC(=O)Nc2ccn(C)n2)n1 244673568 HRRYMDORAWJPHM-SNVBAGLBSA-N 289.343 0.622 0 50 CCAA Cc1nccn1CCCCN1CCC([C@H](O)C(N)=O)CC1 299744096 QWGZYFOSNYGDAD-AWEZNQCLSA-N 294.399 0.530 0 50 CCAA COc1ccccc1C=c1sc2ncnn2c1=O 254762796 AJXUJTLKGFASGK-UHFFFAOYSA-N 259.290 0.707 0 50 CCAA CCc1nc(CN2CCN(CCn3cncn3)CC2)no1 267396737 PTUDJAKUFVGNTJ-UHFFFAOYSA-N 291.359 0.041 0 50 CCAA O=C(NCc1cn2ccsc2n1)[C@@H]1CCS(=O)(=O)C1 299780620 BXEHFMXSROBIKN-MRVPVSSYSA-N 299.377 0.447 0 50 CCAA Cc1ncccc1C(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299797966 PBEAODKGXDAJNG-UONOGXRCSA-N 299.334 0.968 0 50 CCAA Cn1ccnc1CCN1CCC2(CC1)CNC(=O)O2 828305616 YNXWABMDAVWOLP-UHFFFAOYSA-N 264.329 0.537 0 50 CCAA COCCN(C)CC(=O)N1CC[C@H](O)CC(C)(C)C1 670445404 LQIQAWFWMHBBGG-LBPRGKRZSA-N 272.389 0.574 0 50 CCAA CCc1nc(CCNC(=O)CCc2cnn(C)c2)no1 670438634 TUUDOOKGDHEJHU-UHFFFAOYSA-N 277.328 0.657 0 50 CCAA C[C@@H](CCN(C)S(=O)(=O)c1cn[nH]c1)N1CCCC1 952860115 FBXGBTVGIIJSPT-NSHDSACASA-N 286.401 0.905 0 50 CCAA COc1cc(NC(=O)[C@H]2CCCO2)cc(-n2cnnn2)c1 952979258 MDXCZDSFZYVNSK-GFCCVEGCSA-N 289.295 0.788 0 50 CCAA CC(C)c1nnc(C(=O)N2CC[C@@H](C(N)=O)C2)s1 408428289 UGWCZCHECLQXGY-SSDOTTSWSA-N 268.342 0.609 0 50 CCAA Cc1ccc(F)cc1CC(=O)N[C@H]1COCC[C@@H]1O 1565508127 QQKZIDAYXYDLGP-STQMWFEESA-N 267.300 0.943 0 50 CCAA CCN1CCC[C@@H](CNS(=O)(=O)C[C@@H](C)OC)C1 170620325 RFUUNSGVMDZQJO-NEPJUHHUSA-N 278.418 0.673 0 50 CCAA COCCCCS(=O)(=O)c1nc(C(=O)OC)c[nH]1 170618500 VUXFFMBFRFXYEF-UHFFFAOYSA-N 276.314 0.397 0 50 CCAA Cn1cc(CC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cn1 640872714 NMRKAWOMCHXVMZ-MCIONIFRSA-N 292.383 0.067 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2noc(C3CC3)n2)C1 643815262 IQHFFKJHRHYWRM-CQSZACIVSA-N 294.355 0.410 0 50 CCAA CCS(=O)(=O)CC(=O)N1CCN2CCCC[C@@H]2C1 195047798 MQEVDTVKGLVOCJ-LLVKDONJSA-N 274.386 0.118 0 50 CCAA COC(=O)CNC(=O)CNC(=O)Nc1c(C)cccc1C 585120177 YLTQUWZNMQHLFZ-UHFFFAOYSA-N 293.323 0.714 0 50 CCAA CN1CCC(OCCCNC(=O)[C@@H]2CC[C@H](N)C2)CC1 1616088966 PWSYPKSJIYYIQX-OLZOCXBDSA-N 283.416 0.731 0 50 CCAA Cc1cc(C(=O)N[C@@H](C)c2nc(=O)[nH][nH]2)ccc1O 216315113 JVMBJPLTTXYFMV-ZETCQYMHSA-N 262.269 0.603 0 50 CCAA CC(=O)NCC(=O)Nc1c(N2CCCC2)nn(C)c1C 1506397856 DSPFBFIQSJGZGY-UHFFFAOYSA-N 279.344 0.403 0 50 CCAA CCC[C@]1(CO)CCN(Cc2nncn2CC)C[C@@H]1O 1875247359 KMPDYMZIHBSXKC-GXTWGEPZSA-N 282.388 0.643 0 50 CCAA CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](O)C1 306131153 JXWHEDYCAWSYQE-JTQLQIEISA-N 253.302 0.995 0 50 CCAA CNS(=O)(=O)CCNc1nc(OC)ncc1Cl 231005245 BDDOLACLXZLJBH-UHFFFAOYSA-N 280.737 0.100 0 50 CCAA O=C(NS(=O)(=O)[C@@H]1CCOC1)[C@@H]1CC[C@@H]2C[C@@H]21 1875290995 LBTHEYHNFIIHPF-KYXWUPHJSA-N 259.327 0.267 0 50 CCAA OCCCCCCN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704324690 DEMJANKTDIIQHS-UKRRQHHQSA-N 279.384 0.865 0 50 CCAA CC(C)(C)OC(=O)N1Cc2cn(S(C)(=O)=O)nc2C1 148379201 SNEHALFDVXIDSZ-UHFFFAOYSA-N 287.341 0.942 0 50 CCAA in-vitro COc1ccc(C(=O)N2C[C@H]3[C@H](C2)C3(CO)CO)cc1C 1772705814 OHHSUWVJUZPELI-STQMWFEESA-N 291.347 0.676 0 50 CCAA c1cnc(N2CCN(CC[C@H]3COCCO3)CC2)cn1 1775978448 SYSLLDRTEHITKK-ZDUSSCGKSA-N 278.356 0.404 0 50 CCAA O=C(c1ccsc1)N1C[C@H]2[C@H](C1)C2(CO)CO 1772710363 QNZCKWOYVREHPV-UWVGGRQHSA-N 253.323 0.421 0 50 CCAA CC(C)Nc1nc(NC(C)C)nc(N2CC(=O)N=C2N)n1 5817409 TVSVNGXLTHRQML-UHFFFAOYSA-N 292.347 0.174 0 50 CCAA C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)O 5911842 ZQGRWLKXGZLZNB-NSHDSACASA-N 277.324 0.991 0 50 CCAA Nc1cncc(N2CCN(CC3CC3)[C@H](CCO)C2)n1 1857673928 OTWCUBGQIZITCM-GFCCVEGCSA-N 277.372 0.342 0 50 CCAA O=C(CC1=CCCC1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857687939 MFHLVMAPJFGEMA-XJKSGUPXSA-N 292.379 0.976 0 50 CCAA CN1CCO[C@@H](Cn2ccnc2-c2cc[nH]c(=N)c2)C1 1857730717 VNNCQUJZYLJILP-GFCCVEGCSA-N 273.340 0.688 0 50 CCAA Cc1cnn(CC(=O)N[C@@H](Cc2ccncc2)C(=O)O)c1 655600263 BIEKEYXUVDDBRO-LBPRGKRZSA-N 288.307 0.399 0 50 CCAA Cc1cc(CN2CCOC[C@@H]2C(N)=O)ccc1F 585117227 VMVJZBLTRITPQB-GFCCVEGCSA-N 252.289 0.820 0 50 CCAA CCc1nn(C)c2[nH]nc(NC(=O)[C@@H](C)C(=O)O)c12 263563523 UFKMWCIOGJCEFR-RXMQYKEDSA-N 265.273 0.518 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@H](c2nc(=N)[nH][nH]2)C1 1857779452 UXUSXXOVLJCJLA-ZETCQYMHSA-N 253.306 0.942 0 50 CCAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1875305616 GEEDDHYBDLBBOW-HPOMMKJZSA-N 265.309 0.494 0 50 CCAA CCN1CCCC[C@H]1C(=O)N1CC(c2cc(CO)on2)C1 886086422 UPFOTPCELPYGTB-AWEZNQCLSA-N 293.367 0.967 0 50 CCAA COc1cc(C(=O)N2C[C@@H](N)C3(CCC3)C2)ncn1 1775962200 YSINPBBKLTYBRM-SNVBAGLBSA-N 262.313 0.439 0 50 CCAA O[C@@H]1c2ccccc2C[C@@H]1N1C[C@@H](O)[C@H](n2ccnn2)C1 1775957943 UJXJXXDVEWDWDD-GBJTYRQASA-N 286.335 0.154 0 50 CCAA NCc1cccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1 168351776 BCGMBTCETKZRKA-CYBMUJFWSA-N 273.336 0.592 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N1CCSC(C)(C)C1 262057355 AOXAKVKCSYNNGS-ZJUUUORDSA-N 258.387 0.717 0 50 CCAA C[C@H](COc1ccccc1)NCCS(=O)(=O)N(C)C 65396929 UURGDECNLSRRQJ-GFCCVEGCSA-N 286.397 0.935 0 50 CCAA C[C@@H](C(=O)N1CCc2ccnc(O)c2C1)S(C)(=O)=O 408369746 BCSPYPRDTXFYGO-QMMMGPOBSA-N 284.337 0.105 0 50 CCAA O=S(=O)(c1cccnc1)N1CCC2(CC1)CNCCO2 534632919 CGKHCCFCAUKMQO-UHFFFAOYSA-N 297.380 0.225 0 50 CCAA NC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)NCC2 2325764722 FEPAISPQIRZVPW-GFCCVEGCSA-N 287.319 0.062 0 50 CCAA O=C(O)[C@H]1C[C@@H]2C[C@H](NS(=O)(=O)N3CCCC3)[C@@H]2C1 903538068 MUIYSFWQDJPZHY-YTWAJWBKSA-N 288.369 0.416 0 50 CCAA CC(=O)c1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1 1181609 QPZQOTGDNFSZEN-UHFFFAOYSA-N 260.249 0.562 0 50 CCAA CN(Cc1cc(O)nc(O)n1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356159457 BCJHKFXBXPPLGP-NGZCFLSTSA-N 292.339 0.234 0 50 CCAA O=C(Nc1ccccn1)N[C@H]1CCS(=O)(=O)C1 3865843 DSBNLODKIMNNJR-QMMMGPOBSA-N 255.299 0.390 0 50 CCAA Cc1ccccc1C(=O)Nc1c(C)[nH]c(=O)[nH]c1=O 4184242 NLXRJHGSOPFSHO-UHFFFAOYSA-N 259.265 0.932 0 50 CCAA CCOC(=O)N1CCN(C(=O)c2coc(C)n2)CC1 22538354 ZEWLHQYOKXCVAQ-UHFFFAOYSA-N 267.285 0.897 0 50 CCAA CN1CC(=O)N2CCN(Cc3ccc(Cl)o3)C[C@H]2C1=O 216469441 YDSVHYQZUGGAEA-JTQLQIEISA-N 297.742 0.418 0 50 CCAA COCCn1ccc2c(c(C)nc3nc(C)nn32)c1=O 72115777 KORNEWWHYYKXKS-UHFFFAOYSA-N 273.296 0.702 0 50 CCAA O=c1c(N2CCO[C@]3(CCOC3)C2)nccn1C(F)F 329460690 PJQHEVQQMPUMOT-GFCCVEGCSA-N 287.266 0.634 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(C[C@H]3CCOC3)C[C@H]2C)CC1 257366111 JWDAVAPNGJKADY-FVQBIDKESA-N 295.427 0.507 0 50 CCAA Cn1nnnc1N1CCC(NC[C@@H]2CCSC2)CC1 365939669 BQSPCAOKDTVXLC-JTQLQIEISA-N 282.417 0.522 0 50 CCAA CS(=O)(=O)c1nccn1C[C@H](O)C(F)(F)F 158349904 JJJXJAWNGYLWEC-YFKPBYRVSA-N 258.221 0.210 0 50 CCAA Cc1cccnc1[C@@H](C)NC(=O)CCN(C)S(C)(=O)=O 71748485 PLTCLYUFRRJZGY-LLVKDONJSA-N 299.396 0.849 0 50 CCAA CC(C)S(=O)(=O)NC1=NCN(Cc2ccccn2)CN1 40387349 YXXQBXYAHPIXCC-UHFFFAOYSA-N 297.384 0.086 0 50 CCAA C[C@H](OCC(F)(F)F)C(=O)N1CCOC[C@H]1C(=O)O 521362959 DOSOPLZALXWNJB-BQBZGAKWSA-N 285.218 0.266 0 50 CCAA CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C(C)C)nn1C 174160579 FRRYWVAPOCJQAN-NSHDSACASA-N 278.356 0.894 0 50 CCAA COC[C@H]1CN(C(=O)COCc2ccnn2C)C[C@H](C)O1 284547711 DIPURVUEFLKMNS-WCQYABFASA-N 297.355 0.199 0 50 CCAA CS(=O)(=O)c1ccc(C=O)c(N2CCOCC2)c1 42684449 ZTKOJQXOJUJAMC-UHFFFAOYSA-N 269.322 0.739 0 50 CCAA Cc1cc(=O)c(C(=O)NCCSc2nc[nH]n2)cn1C 426544757 LXHNCKTTXRHGHS-UHFFFAOYSA-N 293.352 0.334 0 50 CCAA Cn1c(CNC(=O)c2cncc(=O)[nH]2)nc2ccccc21 426649508 FHXSDSVEZFTTQR-UHFFFAOYSA-N 283.291 0.587 0 50 CCAA CCNc1ncc(C(=O)N2CC[C@H]3CNC[C@H]32)cn1 91943368 YLCWSCNWZZHFOP-GXSJLCMTSA-N 261.329 0.342 0 50 CCAA CCCOC[C@H]1CCN(C(=O)c2cnc(C)[nH]c2=O)C1 91745206 JJWXAEVARZZFLE-NSHDSACASA-N 279.340 0.967 0 50 CCAA O=C(Cc1nc(O)n[nH]1)NCCc1nc2c(s1)CCC2 426538604 PUCHPGJNKDRFEF-UHFFFAOYSA-N 293.352 0.357 0 50 CCAA O=C(O)c1[nH]ncc1CN1CCN(C2CCOCC2)CC1 97823007 TUWBDTDMLJUBHF-UHFFFAOYSA-N 294.355 0.405 0 50 CCAA O=c1ccc(CCc2nc([C@@H]3CCOC3)no2)n[nH]1 96164002 SOUFHAXGFTXSPE-MRVPVSSYSA-N 262.269 0.442 0 50 CCAA Cc1noc(Cn2ncc(N3CCCCC3)cc2=O)n1 95383219 DIAHQTYSSQQDOV-UHFFFAOYSA-N 275.312 0.973 0 50 CCAA CN1CCC[C@@H]1CCNC(=O)CCc1nncn1C 97696132 HXSDQNWGHYGMCT-LLVKDONJSA-N 265.361 0.348 0 50 CCAA O=C1[C@H]2[C@H](C(=O)N1C[C@@H](O)c1ccccc1)[C@H]1C=C[C@H]2O1 239302850 FREIRFWNHZCLAZ-DHGKCCLASA-N 285.299 0.658 0 50 CCAA COc1ccc([C@H](NC(=O)CO)[C@H]2C[C@@H](O)C2)cn1 243932050 BRWNYRLRXFHPMM-CWSCBRNRSA-N 266.297 0.011 0 50 CCAA Cn1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c2ccccc21 252509555 YQLRXLGOFMHELA-IAZYJMLFSA-N 285.303 0.976 0 50 CCAA O=c1cc(CN2CCSCC2)nc2c(O)cccn12 252495661 OVFMPEZIFOUFEW-UHFFFAOYSA-N 277.349 0.949 0 50 CCAA CCCn1nccc1C(=O)NCc1nnc(N)s1 534632923 KFZFRIWPDWEDKV-UHFFFAOYSA-N 266.330 0.657 0 50 CCAA COCCN1CCN(C(=O)[C@@H](C)Cn2cccn2)CC1 824413167 PKYSIWBTEAKNMX-ZDUSSCGKSA-N 280.372 0.310 0 50 CCAA O=C(Nc1cn[nH]c1)[C@H]1CCN(c2ncc(F)cn2)C1 585134603 BRWSYNBLSVFQTM-QMMMGPOBSA-N 276.275 0.804 0 50 CCAA Cc1nc([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)n[nH]1 825261863 UGUVJLCKUIGELU-VIFPVBQESA-N 296.356 0.405 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)NCC1(CO)CCC1 828686006 UORZRKZDHUQHNH-SNVBAGLBSA-N 264.391 0.066 0 50 CCAA CN(CC(=O)NC1CCS(=O)(=O)CC1)C1CCCC1 670445155 WILBQANJQZKDCJ-UHFFFAOYSA-N 288.413 0.554 0 50 CCAA CN(C)C(=O)[C@H]1CN(C(=O)c2cncc(Cl)c2)CCO1 670450772 MKNWOTQNMYCDKM-LLVKDONJSA-N 297.742 0.664 0 50 CCAA CCc1ccc2ncn([C@@H]3CNC[C@H]3O)c(=O)c2c1 670445267 XXHGEIAXPOZGFV-CHWSQXEVSA-N 259.309 0.464 0 50 CCAA Cc1nccn1CCC(=O)NCC1(CO)CCC1 670473093 QOFWVMVSHDABJM-UHFFFAOYSA-N 251.330 0.860 0 50 CCAA Cn1/c(=N\C(=O)[C@H](O)C(C)(C)O)sc2ccccc21 1548407944 OEKDBOOJNATIRE-OKQWNRDOSA-N 280.349 0.799 0 50 CCAA CN(C)C(=O)[C@@H]1CN(C(=O)CN2CCCCCC2)CCO1 952983002 IALRIAFSERPOAD-ZDUSSCGKSA-N 297.399 0.178 0 50 CCAA Cc1ccc(NC(=O)[C@@H](C)O)cc1NC(=O)CN(C)C 952982216 YDEMXFMOUZVINQ-SNVBAGLBSA-N 279.340 0.814 0 50 CCAA CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1ncc(F)cn1 269530721 YOPLZXDUVMQAKC-WCBMZHEXSA-N 288.348 0.746 0 50 CCAA CCCc1nc(C(=O)N2CCS(=O)CC2)co1 408214528 KFSXCSBINJPIIM-UHFFFAOYSA-N 256.327 0.832 0 50 CCAA CC(=O)N1CCN(Cc2snnc2C(C)C)C[C@H](O)C1 92076947 YUXDDVKGFUHSBV-NSHDSACASA-N 298.412 0.687 0 50 CCAA C[C@](NC(=O)c1nccnc1N)(C(=O)O)c1ccccc1 678977203 OZTBBRYQARMAAC-CQSZACIVSA-N 286.291 0.789 0 50 CCAA C[C@H](C(=O)C1CC1)n1cc(CNC(=O)C(F)(F)F)nn1 585138878 WCVBXHZOTHVRMP-ZCFIWIBFSA-N 290.245 0.997 0 50 CCAA C/C=C/[C@H](O)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 585121079 FKWZMCIOUOKECK-FVPDLXMVSA-N 280.368 0.688 0 50 CCAA NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1c1ncnc2n[nH]cc12 682473714 HNUZVGVBNGWLEN-XKSSXDPKSA-N 272.312 0.443 0 50 CCAA CC(C)Oc1cncc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)c1 659175357 ZBJUVDNSNDHAGZ-NEPJUHHUSA-N 294.307 0.841 0 50 CCAA O[C@]1(Cn2ccnn2)CCN(Cc2cnn3ccccc23)C1 794156343 RTAURTWBLCINRM-OAHLLOKOSA-N 298.350 0.563 0 50 CCAA Nc1nc2c(c(C(=O)N3C[C@H](O)[C@@H](F)C3)n1)CCCC2 1615696984 QKFXFBLCAGFCAW-WPRPVWTQSA-N 280.303 0.092 0 50 CCAA O=C([C@@H]1CCCNCC1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1800412395 YOMYJQBEAYLKTK-FVCCEPFGSA-N 252.358 0.605 0 50 CCAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CC=CC2)c1 1625904932 WCUVKFMOZMYPRU-UHFFFAOYSA-N 270.285 0.485 0 50 CCAA CN1CC[C@@](C)(CN(C)C(=O)CN2CCOC2=O)C1 1506401008 DDAMAKHTTOSSLA-CYBMUJFWSA-N 269.345 0.239 0 50 CCAA CCN1C[C@@H](CN(C)C(=O)c2cc(O)ccc2N)CC1=O 1506402407 OPBLKNQYMSBFHE-SNVBAGLBSA-N 291.351 0.915 0 50 CCAA O=C(Cc1cccnc1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529186787 JXPBSYBOSHDLAR-UKRRQHHQSA-N 298.346 0.476 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(c2ncc(Cl)cn2)C1 643713909 GGWPEWNTDHDSNY-NSHDSACASA-N 270.720 0.337 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1ccncc1F 643764302 UBBZORJBSSYPDO-CYBMUJFWSA-N 267.304 0.687 0 50 CCAA CCc1nnc(N2CCOC3(CCN(C)CC3)C2)o1 1800411731 MRGMASPVVSJBMB-UHFFFAOYSA-N 266.345 0.933 0 50 CCAA C[C@H](NS(=O)(=O)[C@@H]1CCCOC1)[C@@H]1CCCNC1 252484922 GKMXYMXNKMKPSN-QJPTWQEYSA-N 276.402 0.473 0 50 CCAA CC(=O)c1ccc(N2CC[C@]3(CNC(=O)CO3)C2)nc1 1772815714 UOEILGJITMRSMX-AWEZNQCLSA-N 275.308 0.380 0 50 CCAA N[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19874290 GNKKYNJRNPWQGM-LBPRGKRZSA-N 254.355 0.940 0 50 CCAA Cn1ccnc1[C@@H](O)C1CCN(c2cncc(N)n2)CC1 1857668156 QLJKSXMAKUJQAV-ZDUSSCGKSA-N 288.355 0.742 0 50 CCAA O=C(NCc1nc2ncccc2o1)[C@@H]1CCc2ncnn2C1 1857727861 CQCXNKUAVRJIGV-SECBINFHSA-N 298.306 0.693 0 50 CCAA COC(=O)[C@H](CO)NC(=O)[C@]1(C)CCc2ccccc2C1 408514025 BQRFNPNUZUQREN-XJKSGUPXSA-N 291.347 0.832 0 50 CCAA C[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)O 2384803 JBGCVTHXXTVYIP-UWVGGRQHSA-N 294.307 0.891 0 50 CCAA in-vitro CN(C)C[C@]1(O)CCCN(c2ncnc3n[nH]cc23)C1 631343647 GMTWBYTYHQUJFC-CYBMUJFWSA-N 276.344 0.246 0 50 CCAA C[C@@H](NC(=O)c1cccnc1)[C@@H](C)N1CCOCC1 264299273 RIPCZYJMDXRWFO-VXGBXAGGSA-N 263.341 0.921 0 50 CCAA COC(=O)[C@H]1CNCCCN1Cc1noc2c1CCCC2 592488513 KYUCVFHUTAKJPX-CYBMUJFWSA-N 293.367 0.890 0 50 CCAA CCn1cc(O[C@@H]2COC[C@@H]2NCc2cocn2)cn1 818230604 ICNNNIDZIIBNLW-QWHCGFSZSA-N 278.312 0.827 0 50 CCAA O=C(Cc1ccc(O)c(F)c1)N1C[C@H]2C[C@@]2(CO)C1 1138301976 GROWDNSAOMXIBE-YGRLFVJLSA-N 265.284 0.915 0 50 CCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)/C=C(\C)COC)C2 952849418 CCFOSPFYOKTEAR-CDQZISKASA-N 296.367 0.190 0 50 CCAA Cc1cnccc1C(=O)N[C@H]1CCO[C@H]1c1nc[nH]n1 952888090 CLNGXRPSZQPBBN-WDEREUQCSA-N 273.296 0.768 0 50 CCAA Cn1nc(O)cc1C(=O)N=c1ccn(Cc2ccccn2)[nH]1 1875318975 WYHLTPKJFXXIEG-UHFFFAOYSA-N 298.306 0.440 0 50 CCAA CCc1cc(CN2CCN([C@@H]3CCNC3)CC2)on1 252508692 XQZDBQOTMHFFPJ-CYBMUJFWSA-N 264.373 0.717 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)[C@@H]1CN 156949113 MPKUHONBWMSGFC-IJLUTSLNSA-N 282.388 0.363 0 50 CCAA C[C@H](C(=O)NC(N)=O)N1CCO[C@H](c2cccs2)C1 157710780 AXIVDMSXLFPBSE-BDAKNGLRSA-N 283.353 0.705 0 50 CCAA CC(C)N1CC[C@@H](N2CCC[C@H](n3cncn3)C2)C1=O 175202886 JIEPIIJADPWVTK-QWHCGFSZSA-N 277.372 0.924 0 50 CCAA COc1ccc(S(=O)(=O)N[C@H]2CC23CCNCC3)cn1 647303435 ZASLNFDSYCBJGM-NSHDSACASA-N 297.380 0.511 0 50 CCAA C[C@H](NC(=O)c1cnc(N)s1)c1cnn(C)c1 584887356 OETJLMVLHXZOJY-LURJTMIESA-N 251.315 0.950 0 50 CCAA O=C(NCCCO)[C@H]1CC(=O)N(c2ccccc2)C1 2901092 LLKGTXYCRVNKGZ-NSHDSACASA-N 262.309 0.538 0 50 CCAA Cn1nc(Cn2cnc3c(cnn3C)c2=O)cc1Cl 863270594 UKOZILMBUZGYRC-UHFFFAOYSA-N 278.703 0.565 0 50 CCAA COC(=O)[C@@H]1CN[C@H](C)CN1C(=O)OC(C)(C)C 209811202 JFCNGYNPDVUMGR-BDAKNGLRSA-N 258.318 0.757 0 50 CCAA CCCn1c(SCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C 369448 VRMVCQBKLALMND-UHFFFAOYSA-N 298.324 0.010 0 50 CCAA CCCOC(=O)CSc1[nH]c(=O)cc(C)c1C(N)=O 2826476 WKGVEHQHPGISDM-UHFFFAOYSA-N 284.337 0.828 0 50 CCAA Cc1cc(C(=O)N[C@H](CCC(=O)O)C(=O)O)c(C)o1 2978720 NPIPWLVEOOCSDV-SECBINFHSA-N 269.253 0.944 0 50 CCAA CC(=O)c1cccc(NC(=O)CN(C)S(C)(=O)=O)c1 22606574 LEXQWLVZZIGIPZ-UHFFFAOYSA-N 284.337 0.719 0 50 CCAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)CCc1cc(O)no1 67975511 QDFWQDANOALOKW-ZJUUUORDSA-N 293.323 0.535 0 50 CCAA CC[C@@H](OC)C(=O)N1CCc2c(c(C(=O)O)nn2C)C1 67447296 RQDGBNUSXNXZOE-SNVBAGLBSA-N 281.312 0.428 0 50 CCAA CNC(=O)CCN1C[C@@H](OC)C[C@H]1CN1CCCC1 348001648 BUYVDZVYRPIBLH-STQMWFEESA-N 269.389 0.308 0 50 CCAA CCN1CC[C@@H](CN(C)c2ncnc3c2CCNC3)C1 67459660 KYKDHNGVMXWNKC-LBPRGKRZSA-N 275.400 0.900 0 50 CCAA CCn1c(=O)[nH]c(=O)c2cc(C(=O)OC)c(C)nc21 67631274 CVYGYROMUFXPLR-UHFFFAOYSA-N 263.253 0.200 0 50 CCAA C[C@@H]1CN(C(=O)CN(C)[C@H](C)C(=O)O)C[C@@H](C)O1 251524093 AHFRKCSVWPUHOA-OPRDCNLKSA-N 258.318 0.027 0 50 CCAA Nc1nnc(CCCNC(=O)[C@H]2CC[C@@H](N)C2)s1 72428103 IHHMTHBKAKKDMC-JGVFFNPUSA-N 269.374 0.297 0 50 CCAA COCC1(NC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)CCCC1 71761997 PYRWBYSSYQIOHX-SNVBAGLBSA-N 297.355 0.344 0 50 CCAA C[C@@]1(O)CCCN(Cc2cn[nH]c2C(=O)O)CC1 216265584 ASZQSFAGQUOMAO-GFCCVEGCSA-N 253.302 0.845 0 50 CCAA C[C@@]1(CO)CCC[C@H]1NC1CCS(=O)(=O)CC1 329642101 YDLHERJGVFVVEI-NEPJUHHUSA-N 261.387 0.704 0 50 CCAA CN1C[C@]2(CCN(C(=O)c3n[nH]c4c3CCC4)C2)OC1=O 216128858 FZJNBVQQLSCQHS-AWEZNQCLSA-N 290.323 0.565 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)NC[C@]2(O)CCOC2)n1 330467552 YIXYGQOMTUCTKF-WCQYABFASA-N 267.329 0.329 0 50 CCAA CC[C@H](C(=O)N(CC)Cc1cnn(C)c1)N1CCOCC1 219312158 JQCDGONGFZXVTL-CQSZACIVSA-N 294.399 0.879 0 50 CCAA O=C(CC1CCNCC1)N1CCO[C@H]([C@H]2CCCO2)C1 238131316 SKBXTGQZYYEIRL-KGLIPLIRSA-N 282.384 0.783 0 50 CCAA CCCNS(=O)(=O)N1CCCc2c(cnn2C)C1 333382075 NQFLAJNGXIZRBF-UHFFFAOYSA-N 272.374 0.413 0 50 CCAA Cc1oncc1CN1CCN([C@H](C)C(=O)NC2CC2)CC1 128177154 ZCNNRDCVXUFEIN-LLVKDONJSA-N 292.383 0.768 0 50 CCAA CCO[C@@H]1C[C@@](O)(CNC(=O)/C=C/CN(C)C)C1(C)C 492052637 ZJZZZOUZQWYZGZ-HBCWJJAPSA-N 284.400 0.787 0 50 CCAA NC[C@@H]1CCCN1C(=O)c1cccc(-n2cncn2)c1 237973706 MBTSWRVSVXSYSS-ZDUSSCGKSA-N 271.324 0.831 0 50 CCAA CCCCC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 77394217 QPUVIHVYARKMSN-GFCCVEGCSA-N 292.383 0.913 0 50 CCAA CCOc1cc(N2CCC[C@H]2c2nc(=N)n(C)[nH]2)ncn1 521395155 REWWHTWTNSDKHB-VIFPVBQESA-N 289.343 0.758 0 50 CCAA C[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CN(C)C(=O)O2)C1 496606098 MDGWDMUXZVXNIB-SECBINFHSA-N 278.312 0.251 0 50 CCAA Cc1noc([C@@H]2CN(Cc3ccc(CO)o3)CCN2C)n1 285660187 YKPLAYINMSVFKJ-ZDUSSCGKSA-N 292.339 0.952 0 50 CCAA CC(C)S(=O)(=O)NC1=NCN(C2CCCC2)CN1 40387307 UJVDDURXWXVHGV-UHFFFAOYSA-N 274.390 0.433 0 50 CCAA CC(=O)N1CCC[C@H](CNC(=O)c2ccncc2O)C1 222221408 SBQMOIRZCWKXIU-LLVKDONJSA-N 277.324 0.776 0 50 CCAA CN1CCC(N(C)S(=O)(=O)C2CCNCC2)CC1 40449865 NTYPNOSMKBGZMP-UHFFFAOYSA-N 275.418 0.094 0 50 CCAA CCc1n[nH]c(=O)c(C(=O)N[C@H]2CCCOC2)c1CC 177347533 NVHLCSUEZCAJFM-VIFPVBQESA-N 279.340 0.804 0 50 CCAA C[C@H](C(=O)N(C)C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 238881968 BQJXSXGXWAWTIJ-YBXAARCKSA-N 276.336 0.660 0 50 CCAA N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1O 95742997 IRKGMFWANMCSOS-NWDGAFQWSA-N 250.298 0.717 0 50 CCAA CN(CCc1cnn(C)c1)C(=O)[C@]1(C)CCCO1 426510579 DBRUGDOOAAAKHM-ZDUSSCGKSA-N 251.330 0.990 0 50 CCAA CNC[C@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 179003159 HMHNXHOTRKWVQC-LLVKDONJSA-N 273.340 0.499 0 50 CCAA COCCc1noc(CN(C)Cc2ncc[nH]2)n1 97831215 QMFBZLMUKOZBGV-UHFFFAOYSA-N 251.290 0.614 0 50 CCAA O=C(CCn1cnnn1)Nc1nc2c(s1)CCC2 524735158 AJQWJEPTUUEBCK-UHFFFAOYSA-N 264.314 0.647 0 50 CCAA CCOC(=O)C1(NC(=O)[C@H]2CCNC2)CCCCC1 237157102 ITHLJTQODOFIGS-NSHDSACASA-N 268.357 0.978 0 50 CCAA CN1C(=O)[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 250560677 CKMSWRIKDHFUHM-CYDGBPFRSA-N 282.299 0.819 0 50 CCAA CCc1nc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)n[nH]1 299744164 NSEHQIXVIAIDFI-RNFRBKRXSA-N 291.277 0.463 0 50 CCAA COC[C@@H](NC(=O)N1CCSCC1)c1ccnn1C 534587255 WHORWFLWSVPJJM-SNVBAGLBSA-N 284.385 0.866 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)CCN1CCCCCC1=O 534585493 NOXDWOXDECWLAQ-RYUDHWBXSA-N 284.356 0.309 0 50 CCAA Cn1ccnc1CCNC(=O)[C@H]1CSC(C)(C)C(=O)N1 534671186 QRHTUOLKWJCIOG-SECBINFHSA-N 296.396 0.089 0 50 CCAA CC(C)CN1CC[C@@H](CN(C)C(=O)c2cnn[nH]2)C1 299788267 TXYRROOEUPCQTE-NSHDSACASA-N 265.361 0.855 0 50 CCAA Cn1nc(C2CC2)cc1NC(=O)NCCOCCO 299780667 CEMLWYNYTGEMNX-UHFFFAOYSA-N 268.317 0.428 0 50 CCAA Cc1nccn1CCNC(=O)CN(C)Cc1ccncc1 823715130 RZXLUEWOFNTUEJ-UHFFFAOYSA-N 287.367 0.835 0 50 CCAA CN(C)C(=O)[C@@H]1CN(C2Cc3ccccc3C2)CCO1 584902208 DSNGHAQXGGDWGZ-HNNXBMFYSA-N 274.364 0.943 0 50 CCAA CCc1nn(C)c2c(=O)n(CCn3cccn3)cnc12 584901048 ABJHDIXJCRALIH-UHFFFAOYSA-N 272.312 0.589 0 50 CCAA COCCn1cncc1CNS(=O)(=O)C(C)C 824466322 PJBHAEXAEWHHPC-UHFFFAOYSA-N 261.347 0.357 0 50 CCAA COCCCCN1CCN(C(=O)Cn2ccnc2C)CC1 584894126 HHTIQAVYGMZKSK-UHFFFAOYSA-N 294.399 0.762 0 50 CCAA CCCN1CCC[C@@H](NC(=O)c2[nH]nnc2C)C1 584898907 OHTVWJQOSBVRCL-SNVBAGLBSA-N 251.334 0.717 0 50 CCAA Cn1ccnc1C(=O)N1CCN(c2ccncc2)CC1 741259099 ANKRRLCFQSWSDJ-UHFFFAOYSA-N 271.324 0.778 0 50 CCAA CC(=O)c1cc(CC(=O)N2CC[C@H](N)[C@@H](O)C2)cs1 1565509302 MGRTXWSRZKYSBH-QWRGUYRKSA-N 282.365 0.414 0 50 CCAA O=C(N1CCCC1)[C@@]1(O)CCCN(c2ncc(F)cn2)C1 408034872 HLLQQVSMHPJMPS-CQSZACIVSA-N 294.330 0.569 0 50 CCAA Cc1cc(N2CCN(C[C@@H](O)Cn3cccn3)CC2)n[nH]1 187208456 FNEOOFIMNGHPQM-CYBMUJFWSA-N 290.371 0.098 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)c2ncc(F)cc2F)C1 644000540 OMXFNJAUWPROEC-ZDUSSCGKSA-N 299.277 0.202 0 50 CCAA Cn1[nH]cnc1=NS(=O)(=O)c1cccc2c1OCCC2 650455163 NCIIGGMRQJOAPP-UHFFFAOYSA-N 294.336 0.363 0 50 CCAA NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)O)nc1 676370867 QTNLGOUBMSNYCS-NXEZZACHSA-N 291.307 0.554 0 50 CCAA Cn1nnc(C(=O)N[C@@H]2CCCOc3ccccc32)n1 585140393 CYYUDKWWGMWUTN-SNVBAGLBSA-N 273.296 0.854 0 50 CCAA CCn1cc(C(=O)NC[C@H](CC2CC2)C(=O)O)nn1 1614949051 AEJJOVOZLCBVEJ-VIFPVBQESA-N 266.301 0.529 0 50 CCAA COc1cc(CN2C[C@@H](CO)OC(C)(C)C2)on1 660831634 SEPTWVRGGSEEJZ-JTQLQIEISA-N 256.302 0.655 0 50 CCAA C[C@H]1CS(=O)(=O)CCN1Cc1c(F)cncc1F 929693306 PQJCTXSBKGXGNB-QMMMGPOBSA-N 276.308 0.979 0 50 CCAA Cc1cn(CCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)nn1 1857683594 XOVJFIUEBADVJS-HBNTYKKESA-N 250.302 0.270 0 50 CCAA CCc1nccn1CCC(=O)N1CCC([C@@H](O)CO)CC1 1772710957 XMZJXTJXIRTWCX-ZDUSSCGKSA-N 295.383 0.427 0 50 CCAA O=C(CC1=CCCC1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772706525 SMZYQCMQGJYMJX-VXGBXAGGSA-N 251.326 0.546 0 50 CCAA CC(C)NC[C@@H](O)COc1ccc(CCO)cc1 5760520 CUKXSBOAIJILRY-CYBMUJFWSA-N 253.342 0.959 0 50 CCAA in-vitro Cc1nn(C)c2c1[C@@H](NC(=O)c1c[nH]c(=O)cn1)CCC2 1857670388 LRUDIZAQXQJDSH-VIFPVBQESA-N 287.323 0.619 0 50 CCAA Cc1cc(CNC(=O)[C@H]2C[C@H](N)[C@@H](O)C2)ccc1F 1857726885 DVVQYEIDRPVHHJ-DRZSPHRISA-N 266.316 0.849 0 50 CCAA CCn1nc(C)c(CNC(=O)c2ccc(C(N)=O)[nH]2)c1C 621850529 ZDVYZIPSYMOQCC-UHFFFAOYSA-N 289.339 0.877 0 50 CCAA O=C(O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O 4428360 QNSOHXTZPUMONC-UHFFFAOYSA-N 298.159 0.178 0 50 CCAA in-vitro C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 626776868 DPDGGONERSYZTC-ZYUZMQFOSA-N 283.328 0.003 0 50 CCAA C[C@H]1CCN(C(=O)CCS(C)(=O)=O)C[C@@H]1n1ccnc1 330981397 VQBBAYXPMPMVLU-RYUDHWBXSA-N 299.396 0.727 0 50 CCAA O=C(NCCN1CCNCC1)C1=Cc2ccccc2OC1 238078021 ITTDYKBRTSLKBE-UHFFFAOYSA-N 287.363 0.484 0 50 CCAA CC[C@H](C)NC(=O)CN1CCN(C[C@H](O)C(C)(C)C)CC1 240540867 GPVXDWNAHIKQRP-KBPBESRZSA-N 299.459 0.926 0 50 CCAA Cc1cnn(CC(=O)N[C@H](Cc2ccncc2)C(=O)O)c1 655600262 BIEKEYXUVDDBRO-GFCCVEGCSA-N 288.307 0.399 0 50 CCAA CCNC(=O)NCCNS(=O)(=O)c1ccccc1 6891513 BNAGRKRXZJIYAZ-UHFFFAOYSA-N 271.342 0.284 0 50 CCAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCO[C@H](C(=O)O)C2)n1 262891838 AHCZKVLQRCOTOV-RYUDHWBXSA-N 295.339 0.763 0 50 CCAA COCc1ccccc1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1 912351716 UGFBKIJSQFSSMW-KKUMJFAQSA-N 290.363 0.969 0 50 CCAA CCC(=O)N1CC[C@H](C(=O)OCc2nnc(C)cc2O)C1 802170136 MJUXIRYRMGFXCZ-JTQLQIEISA-N 293.323 0.792 0 50 CCAA CCc1nsc(N2CC(N[C@H]3CCOC3)C2)n1 952992908 LJEONJILTCJAFQ-QMMMGPOBSA-N 254.359 0.668 0 50 CCAA CCc1nc(O)c(C(=O)NOC[C@@H](C)O)cc1C 1875295726 OXKJSJDNDCZZFZ-MRVPVSSYSA-N 254.286 0.700 0 50 CCAA Cc1cccc2cc(C(=O)N3C[C@@H](N)[C@H](N)C3)cnc12 1875276737 WEENQYNSEJIKHG-CHWSQXEVSA-N 270.336 0.654 0 50 CCAA Cc1nc(CCNC(=O)N2CCOCCN2)co1 1875309803 OJJNLAWJKNYILA-UHFFFAOYSA-N 254.290 0.072 0 50 CCAA CO[C@@H]1CN(S(=O)(=O)[C@H]2C[C@H]2c2ccccc2)C[C@H]1O 1875362330 ADIOHVDGJTXBQV-DGAVXFQQSA-N 297.376 0.564 0 50 CCAA Cc1nc2[nH][nH]cc-2c(=NCc2n[nH]c(C)c2C)n1 1775985769 MLCWVOJXXSSGSN-UHFFFAOYSA-N 257.301 0.987 0 50 CCAA COCCc1nc([C@H]2C[C@@H](O)C2)n(C[C@H]2CCCO2)n1 1775986754 YSCVARKCXRZBHZ-GRYCIOLGSA-N 281.356 0.884 0 50 CCAA CC(=O)SC[C@H](C)C(=O)N1CSC[C@H]1C(=O)O 34065197 YACVCCXVPMISTO-XPUUQOCRSA-N 277.367 0.888 0 50 CCAA C[C@H]1CN(C(=O)c2sccc2-n2cnnn2)CCC1=O 275316387 ZPJDAULACZTBNC-QMMMGPOBSA-N 291.336 0.775 0 50 CCAA Nc1c(C(=O)N2CC[C@@](O)(CO)C2)sc2cccnc12 313808084 GTSGLIJEINQMDO-ZDUSSCGKSA-N 293.348 0.448 0 50 CCAA O=S(=O)(CCOc1ccc(F)cc1)N1CCNCC1 381783102 LTDOMAHQILLMKL-UHFFFAOYSA-N 288.344 0.440 0 50 CCAA COc1cc(C(=O)N2CC[C@@](C)(CN)C2)sn1 904929700 ACZIQDNBRBXYTF-NSHDSACASA-N 255.343 0.963 0 50 CCAA O=C(O)C[C@@H](NC(=O)C1CCOCC1)C(F)(F)F 829374931 SJYRXIXPGWRBDG-SSDOTTSWSA-N 269.219 0.935 0 50 CCAA CCn1cnc(CN=c2nc3c(c[nH]2)ncn3C)c1 2100545165 IIVQMBKUENCNPE-UHFFFAOYSA-N 257.301 0.614 0 50 CCAA CN1C[C@@](C)(CNC(=O)Nc2nccs2)C1=O 2325886042 BHYFIIFUFPKIIS-SNVBAGLBSA-N 254.315 0.743 0 50 CCAA NC(=O)CC[C@H](NC(=S)Nc1ccccc1)C(=O)O 2350671 NDFMICVERBILEW-VIFPVBQESA-N 281.337 0.692 0 50 CCAA CCC[C@@]1(C(=O)O)CN(Cc2ncnn2CC)CC[C@@H]1O 2356155616 KFHUMPWABDPPGB-SMDDNHRTSA-N 296.371 0.736 0 50 CCAA CS(=O)(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 4756882 LKWREZRFOHDVAA-JTQLQIEISA-N 298.364 0.967 0 50 CCAA O=c1cc(N2CCOCC2)cnn1[C@@H]1CCCNC1 170599419 DQFNECCOZXPFOP-LLVKDONJSA-N 264.329 0.004 0 50 CCAA CC(C)C1=NO[C@H](C(=O)NCCc2nnc(N)s2)C1 67514452 WTLDMWWIKYDQJK-QMMMGPOBSA-N 283.357 0.580 0 50 CCAA O=C(NC[C@@H]1CCCNC1)c1cnc2sccn2c1=O 237941681 HDKNZVRPHCWNRE-SECBINFHSA-N 292.364 0.485 0 50 CCAA CN1[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cccnc1)CC2 67786054 DISLKPIWNXFPFL-NWDGAFQWSA-N 281.381 0.939 0 50 CCAA O=c1c2nnc3ncnn3c2ccn1-c1cccc(F)c1 67630554 JAZMQTLAKUYDJA-UHFFFAOYSA-N 282.238 0.963 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1nc(CC)[nH]c1C 71279021 RHJCWIGXFPKVTH-PWSUYJOCSA-N 279.388 0.318 0 50 CCAA CN(C)c1cc(NC(=O)CSCC(=O)O)ccn1 517143682 AYNGDXWDYKLJEF-UHFFFAOYSA-N 269.326 0.904 0 50 CCAA COc1ccc(CN2CCO[C@@H](c3nncn3C)C2)cn1 328648058 UIYIDXLYQCDVFB-GFCCVEGCSA-N 289.339 0.792 0 50 CCAA CC(C)CC[C@H](O)CN1CCCN(C(N)=O)CC1 253429826 ILDANCKQFWXWPE-LBPRGKRZSA-N 257.378 0.870 0 50 CCAA Cc1cc(NCc2noc(C(N)=O)n2)n2nccc2n1 72433887 IXEUNQIHLNZRFI-UHFFFAOYSA-N 273.256 0.132 0 50 CCAA CC(C)n1cc(C(=O)NCCCn2cncn2)cn1 77505780 XPQZWTHMNGPDRO-UHFFFAOYSA-N 262.317 0.876 0 50 CCAA COc1nc(C)ccc1C(=O)N1CCn2nc(C)nc2C1 329373225 MXDUUDNORRRNRO-UHFFFAOYSA-N 287.323 0.955 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)CN1C(=O)CNC1=O 215172023 SXNPVSMVRIBMCW-SECBINFHSA-N 293.327 0.098 0 50 CCAA Cc1nc([C@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@H]3O4)CCO2)n[nH]1 329739366 NINQYJXRJVYPSE-DDHJBXDOSA-N 292.339 0.581 0 50 CCAA COc1ccc([C@H](O)C(=O)NCCn2cncn2)cc1 219947180 PXUGUSXDNUOKLJ-LBPRGKRZSA-N 276.296 0.137 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1scnc1Cl 521362969 ZASBLJNZWICZBH-RXMQYKEDSA-N 276.701 0.722 0 50 CCAA COc1cccc2c1ccn2CC(=O)NCC(=O)O 40309644 DXFMJZANIFYDNV-UHFFFAOYSA-N 262.265 0.851 0 50 CCAA biogenic CC(C)n1ccc(CN2CCO[C@H](C)[C@H]2C(N)=O)n1 285314964 XACJYDZPGOTRQY-PWSUYJOCSA-N 266.345 0.539 0 50 CCAA NC(=O)[C@@]1(O)CCCN(C(=O)c2cncc3ccccc23)C1 285469386 KMGNGEXXFNXYDZ-MRXNPFEDSA-N 299.330 0.687 0 50 CCAA C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)[C@@H]1C 177369809 YFMCGEAADRXSHU-WISYIIOYSA-N 283.372 0.849 0 50 CCAA CCOC[C@@H]1CN(C(=O)NCC[C@@H]2CCCNC2)CCO1 529331182 JDEKCCQVCVYLIA-KBPBESRZSA-N 299.415 0.823 0 50 CCAA Cc1cc(=O)n(Cc2nc(-c3cccnn3)no2)nc1C 95508183 PZHZHDMZDCACMV-UHFFFAOYSA-N 284.279 0.748 0 50 CCAA OCc1csc(N2CCC3(CC2)[C@@H](O)C[C@H]3O)n1 91547029 ZTAGUORMDBARCR-AOOOYVTPSA-N 270.354 0.348 0 50 CCAA C[C@H](Cc1cnccn1)N(C)CC(=O)Nc1ccn(C)n1 244724363 MSOYNEVHXORDBN-LLVKDONJSA-N 288.355 0.712 0 50 CCAA CN(C)S(=O)(=O)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 244811528 SGFGIEABKKEQJD-FRRDWIJNSA-N 284.381 0.895 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25CCCC[C@]12[C@H]3[C@H]45 248027997 KERNAUZBQLYRHV-LPGSYLIJSA-N 271.320 0.510 0 50 CCAA NC[C@@H]1CCN(C(=O)CN2Cc3ccccc3C2)C1 534661408 RZDYMMRYNLSDKM-LBPRGKRZSA-N 259.353 0.809 0 50 CCAA Cc1nnc(SCCNC(=O)[C@H]2C=CCN2)s1 534574548 QMLPVDUAHDGABY-MRVPVSSYSA-N 270.383 0.583 0 50 CCAA COc1cccc2c1C(=O)N1C[C@H](O)C[C@H]1C(=O)N2 534659103 ZAJPBAKAVWWBIE-APPZFPTMSA-N 262.265 0.223 0 50 CCAA COCCn1cnnc1CN(C)c1nnc(C)s1 824463962 KWWULFMLLVVCAX-UHFFFAOYSA-N 268.346 0.721 0 50 CCAA CCc1nc(CN(C)c2cncc(C(=O)N(C)C)n2)no1 670453420 QXFDRDXBMFWXDY-UHFFFAOYSA-N 290.327 0.760 0 50 CCAA NC(=O)c1cc(N2CCC[C@@H](C(=O)NC3CC3)C2)ncn1 1472677112 HENGYBFTUJLAMB-SECBINFHSA-N 289.339 0.071 0 50 CCAA CCn1ccnc1CN1CCN(C(=O)[C@H]2C[C@H](N)C2)CC1 662760038 VKVIUABDDHJNSA-JOCQHMNTSA-N 291.399 0.285 0 50 CCAA CN1CCN(C(=O)[C@@H]2CCCCO2)C[C@@H]1c1nccn1C 276824964 XTSSKQHPMHCBOZ-OLZOCXBDSA-N 292.383 0.804 0 50 CCAA Cn1nccc1COCC(=O)N1CCNC[C@@H]1C(F)F 515054324 RILHXMZKLBYDRZ-SNVBAGLBSA-N 288.298 0.002 0 50 CCAA O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@H]1CNCCO1 187372771 QXQNJZHOLATLSH-NWDGAFQWSA-N 284.743 0.478 0 50 CCAA CO[C@@H]1CN(C(=O)CSCC(N)=O)CC[C@H]1C 187992380 OLKQGXWRNWXGRU-RKDXNWHRSA-N 260.359 0.088 0 50 CCAA Cc1cnccc1C(=O)N1CC[C@@H](c2nn[nH]n2)C1 720629038 SWFWTCBNPPGJMR-SECBINFHSA-N 258.285 0.533 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1cccc(C(N)=O)c1 643879181 MFRPKQUKAQVTDE-HNNXBMFYSA-N 292.335 0.851 0 50 CCAA Cc1cc(CC(=O)N2CC(O)(C(F)F)C2)n(C)n1 582662146 FWWBHCZIOIHUJW-UHFFFAOYSA-N 259.256 0.109 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 583652290 ZIRHKYAZDIOHLQ-SECBINFHSA-N 274.280 0.364 0 50 CCAA CCc1nc(CNC(=O)c2ccc3c(c2)B(O)OC3)co1 584996423 HHPPGXURCPMIHJ-UHFFFAOYSA-N 286.096 0.385 0 50 CCAA C=CC(=O)N1CC(S(=O)(=O)c2ccccc2F)C1 585122743 IFJXVUZYZAGNCQ-UHFFFAOYSA-N 269.297 0.996 0 50 CCAA O=C(CN1CCO[C@@H](C2CCC2)C1)Nc1cnccn1 660798811 PXZQOORIODDELF-GFCCVEGCSA-N 276.340 0.916 0 50 CCAA O=C([C@H]1C[C@H](F)CN1)N1CCC(c2ccn[nH]2)CC1 188753885 MOWKPMFRAJMNBP-CMPLNLGQSA-N 266.320 0.816 0 50 CCAA COC1(OC)CC2(CN(C(=O)C3(O)COC3)[C@H]2C(C)C)C1 1643979080 CMLMHTYHZHPSJX-NSHDSACASA-N 299.367 0.384 0 50 CCAA COc1ccc([C@H]2CN(CC(=O)O)C[C@@H]2NC(C)=O)cc1 213328913 OPMCFOGXTGJFHP-KGLIPLIRSA-N 292.335 0.684 0 50 CCAA NC[C@H]1CCC[C@@H]1NC(=O)c1ncncc1Cl 238080656 LPCMVURUZNWRRP-APPZFPTMSA-N 254.721 0.987 0 50 CCAA Cc1cnc(N)nc1N1CCC2(CC1)CN(C)CCO2 1800414546 SUJWMGZUGAMLLA-UHFFFAOYSA-N 277.372 0.668 0 50 CCAA O=C(O)[C@H]1CCN(CCc2ccc(O)cc2)C[C@H]1O 1704313061 LVGGCVAKONHIIC-QWHCGFSZSA-N 265.309 0.702 0 50 CCAA COc1cc(S(=O)(=O)N(C)CC(=O)O)ccc1F 261909149 XSQAEQCZINRWLT-UHFFFAOYSA-N 277.273 0.539 0 50 CCAA C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1C[C@H]1C(=O)O 262371750 GKSGQIFIHYKPJK-ZYUZMQFOSA-N 257.286 0.017 0 50 CCAA C[C@H](CC(F)(F)F)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772710259 MXBIZGAKMZTBFL-HLTSFMKQSA-N 253.264 0.860 0 50 CCAA CC(C)(C)CN1CCC[C@@](O)(CN2CCC(O)CC2)C1=O 12386876 FCFFRKQLPVOMEZ-MRXNPFEDSA-N 298.427 0.843 0 50 CCAA CCN1C(=O)C[C@@H](N2CCN(c3ccccc3)CC2)C1=O 18116419 FJDXRFCLYCJQGC-CQSZACIVSA-N 287.363 0.956 0 50 CCAA O=C(CO)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857718088 NHDUSXCEMYCUQC-HZSPNIEDSA-N 276.336 0.309 0 50 CCAA COC(=O)[C@](C)(O)CN1CCC[C@@H](C(=O)NCC2CC2)C1 252549467 RGLVOMJWKATBCK-IUODEOHRSA-N 298.383 0.149 0 50 CCAA O=S(=O)(Cc1ccc(F)cc1)N1CCOCC1 16578570 YIQXUBUFVHJZQR-UHFFFAOYSA-N 259.302 0.988 0 50 CCAA CC[C@@H]1CN(C(=O)NC[C@@H]2COCO2)C[C@@H](C)O1 864095549 QIDZDTDCGMZECR-GMTAPVOTSA-N 258.318 0.568 0 50 CCAA CC(C)NC(=O)CN1CCC[C@@H](c2cnn[nH]2)C1 1875273822 PZSDONHNHQWRIM-SNVBAGLBSA-N 251.334 0.509 0 50 CCAA O=C1CC(C(=O)Nc2cnc(C3CCCC3)nc2)=NN1 1875299667 RIBPQTFEXXWFRP-UHFFFAOYSA-N 273.296 0.949 0 50 CCAA N[C@H]1CN(C(=O)COCc2cccnc2)CC12CCC2 1775962438 KWFJCHKTFCXPJJ-ZDUSSCGKSA-N 275.352 0.938 0 50 CCAA CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)NC[C@@H]1CCOC1 899799992 UZHNIZVJPSIJEJ-OUJBWJOFSA-N 255.314 0.886 0 50 CCAA Cc1[nH]ncc1C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 285877632 RRSOUJYCOWWEDN-RYUDHWBXSA-N 264.329 0.263 0 50 CCAA CN(CC(=O)Nc1cc(F)cc(F)c1)C[C@H](O)CN 312087489 OFGJHMJMUGLNOK-LLVKDONJSA-N 273.283 0.155 0 50 CCAA Cc1nc(CC(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)cs1 426386976 XCTZKJSKIMXDAP-LFSVMHDDSA-N 296.392 0.584 0 50 CCAA CCc1c(C(=O)Nc2cnn(CC(=O)O)c2)cnn1C 647744749 IRSNJUOREWRXBD-UHFFFAOYSA-N 277.284 0.516 0 50 CCAA CC1(C)CN(CC[C@@H]2CCS(=O)(=O)C2)CCO1 677673303 BONJMLBKHCCPCE-LLVKDONJSA-N 261.387 0.922 0 50 CCAA C[C@]1(O)CCCN(c2ncccc2S(N)(=O)=O)CC1 366504990 NALWVVIWVBGSSB-LBPRGKRZSA-N 285.369 0.470 0 50 CCAA NCC1(O)CCN(C(=O)c2n[nH]c3ccccc23)CC1 397100636 PCOFBSZTZJIMLX-UHFFFAOYSA-N 274.324 0.489 0 50 CCAA COc1ccc(CN2[C@@H](CO)CCCS2(=O)=O)cc1 953119776 HXPQBZPHHCNCQM-GFCCVEGCSA-N 285.365 0.982 0 50 CCAA C[C@@H]1[C@@H](C(=O)N2CCC[C@H]2c2nn[nH]n2)C1(F)F 1875278137 BUDNNKYDSXZVLM-VQVTYTSYSA-N 257.244 0.764 0 50 CCAA NS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)nc1 335061 KHCMJVYVNAVKCU-UHFFFAOYSA-N 298.345 0.562 0 50 CCAA Nn1c(C(=O)NC[C@H]2CCCO2)nc2ccccc2c1=O 159211 WTSBOACMCUBSMH-SECBINFHSA-N 288.307 0.019 0 50 CCAA Cc1nc(N2CC[C@](O)(CN(C)C)C2)nc(C)c1C 2356134582 SVGLVLHRFHUFSK-AWEZNQCLSA-N 264.373 0.905 0 50 CCAA Cc1cccc(C(=O)N2CCN(CC(=O)O)CC2)c1 2456605 PMAPGDUOMFOLPL-UHFFFAOYSA-N 262.309 0.837 0 50 CCAA Cc1nc2ccc(CC(=O)N3C[C@@H]4CNC(=O)[C@@H]4C3)cc2[nH]1 2356148635 JOIJQSVURRWYAE-NWDGAFQWSA-N 298.346 0.618 0 50 CCAA COC(=O)[C@](C)(NC(=O)[C@@H]1OCC[C@@H]1C)C1CC1 225434625 AUTFSJMJCLOMLF-IYYTYJHQSA-N 255.314 0.869 0 50 CCAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O 9818409 QNWLBHGTCVOKES-LBPRGKRZSA-N 292.335 0.860 0 50 CCAA Cn1c(CN2CCOCC2)nc(=O)c2ccccc21 22015703 DYZODYZODKEAHE-UHFFFAOYSA-N 259.309 0.766 0 50 CCAA C[C@H]1CN(CC(=O)Nc2ccccc2C(N)=O)C[C@H](C)O1 20572482 AFTBPQMZJVCHNZ-QWRGUYRKSA-N 291.351 0.833 0 50 CCAA Cc1nc(CC2CC2)sc1C(=O)N1C[C@@H](O)C[C@H]1CO 330012061 JYIPEERTEJRTIW-QWRGUYRKSA-N 296.392 0.972 0 50 CCAA CC[C@@H]1COCCN1S(=O)(=O)Cc1cc(C)no1 330147769 UILBGJCHQNJUIO-SNVBAGLBSA-N 274.342 0.924 0 50 CCAA COCCn1cnnc1CNC(=O)c1c(C)nn(C)c1C 219044454 PAXGBEOGQQCECA-UHFFFAOYSA-N 292.343 0.205 0 50 CCAA CCCCS(=O)(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328614253 ADGCGPBKMBAXIP-NSHDSACASA-N 286.401 0.828 0 50 CCAA CCCNC(=O)CNC(=O)[C@@H]1CC12CCNCC2 70252415 AZAVAORVZMYTFQ-JTQLQIEISA-N 253.346 0.019 0 50 CCAA COC[C@@]1(C(=O)O)CCN(C(=O)[C@H]2CC2(C)C)C1 261560955 FNTOYTPGLRSCSH-NOZJJQNGSA-N 255.314 0.982 0 50 CCAA C[C@H](N)[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1 156436380 RBQAHGOIYKURDD-NWDGAFQWSA-N 267.373 0.585 0 50 CCAA COc1ccc2c(c1)CCN2C(=O)[C@H]1NCCO[C@@H]1C 261895760 HCSBRKAXUCTRFQ-YGRLFVJLSA-N 276.336 0.961 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)Cc1ccc2c(c1)OCO2 262121577 JSSQMCWOQRJIEU-JTQLQIEISA-N 293.275 0.270 0 50 CCAA C[C@H](NC(=O)/C=C/CN(C)C)C1(S(C)(=O)=O)CC1 492832026 FDUFXKRFRYTKJV-PORFMDCZSA-N 274.386 0.186 0 50 CCAA O[C@]1(CNCCCn2ncc3ccccc32)CCNC1 77392524 HRZCQNQFBJVKOK-HNNXBMFYSA-N 274.368 0.740 0 50 CCAA CO[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 171965042 WOVGTUPAPNSHFV-MNOVXSKESA-N 263.359 0.464 0 50 CCAA COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1N 40333182 KEGRMTZNGRXZEC-NSHDSACASA-N 298.364 0.985 0 50 CCAA N[C@H]1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 45949091 BZKYBMSTDKQPOH-QMMMGPOBSA-N 258.281 0.096 0 50 CCAA CC[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)c1nccs1 223115694 WJEGMYIVEFUWGT-QMMMGPOBSA-N 294.336 0.411 0 50 CCAA CC(C)(C(=O)NCCc1nc(N)cc(O)n1)N1CCCC1 426712321 ZWANMIKBMQIBPM-UHFFFAOYSA-N 293.371 0.298 0 50 CCAA CN(CC(=O)N[C@@H]1COCC[C@H]1O)Cc1ccc(F)cc1 223763689 TYGHAFCSMGHDSQ-ZIAGYGMSSA-N 296.342 0.524 0 50 CCAA CSc1ncc(C(=O)N(C)C[C@H]2COCCO2)cn1 221253213 KIQNUNPRKPOHEO-JTQLQIEISA-N 283.353 0.686 0 50 CCAA CCCN(Cc1nccn1C)C(=O)NCC(=O)O 426521145 DALUXTNYLCTTJY-UHFFFAOYSA-N 254.290 0.426 0 50 CCAA Cc1cnccc1Cn1ncc(N2CCNCC2)cc1=O 95530670 CJWOZVIXTUSDBQ-UHFFFAOYSA-N 285.351 0.405 0 50 CCAA CN(C)S(=O)(=O)N1CC[C@@H](Cc2ccc(=O)[nH]c2)C1 91650453 GGTVJPKDMVXKLS-NSHDSACASA-N 285.369 0.046 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)/C=C/c2ccccn2)CCO1 237963213 JYFRWIHDUZSHMM-ZWNMCFTASA-N 262.265 0.407 0 50 CCAA CCCc1cc(C(=O)NC[C@H](C)C(=O)O)n(C)n1 95381908 BLOKQNLATKBSSO-QMMMGPOBSA-N 253.302 0.823 0 50 CCAA CCc1n[nH]c(SCC(=O)N[C@H](C)Cn2cncn2)n1 244898860 ZCYDUOWZVSCJNZ-MRVPVSSYSA-N 295.372 0.256 0 50 CCAA COc1cncnc1NC(=O)N[C@]1(C)CCOC1 294195284 LLBZHYDKBJGXBF-LLVKDONJSA-N 252.274 0.786 0 50 CCAA Cc1cc(CN2CCC([C@@H](O)C(=O)NC3CC3)CC2)no1 299739006 JJXCHGORVDBZJR-CQSZACIVSA-N 293.367 0.835 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CCN[C@H](C)C1 534644094 NAFHOTLDKGDGOQ-SNVBAGLBSA-N 272.374 0.194 0 50 CCAA O=C(C1CCC1)N1CCC[C@@H](c2ncnn2CCO)C1 828778333 HHYVPHNRPAINJX-GFCCVEGCSA-N 278.356 0.777 0 50 CCAA CCNC(=O)[C@H]1CCN(CC(=O)N2CCCCCC2)C1 670455960 OYENNAJSURQWFO-ZDUSSCGKSA-N 281.400 0.847 0 50 CCAA O[C@H]1CN(CC2=CCCCC2)C[C@@H]1N1CCOCC1 670454202 PASWPPRWRAVRIP-GJZGRUSLSA-N 266.385 0.864 0 50 CCAA COC(=O)c1cccc(C(=O)NC2CCNCC2)c1 67800768 HVXJNDMUVHPWMG-UHFFFAOYSA-N 262.309 0.955 0 50 CCAA in-vitro CC(C)=CC(=O)NC[C@H](O)CN(C)C(=O)C=C(C)C 408517789 UCLVVSKVSPMAAZ-LBPRGKRZSA-N 268.357 0.854 0 50 CCAA C=CC(=O)NCCNC(=O)[C@@H]1CC12CCSCC2 1585032941 NVWABDYYKIWFFR-JTQLQIEISA-N 268.382 0.938 0 50 CCAA Cc1nsc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 301441852 WAFONEQHFGVGOX-NSHDSACASA-N 295.412 0.589 0 50 CCAA N[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2O)C1 662393823 KXBSFIHZJQGCEE-SNVBAGLBSA-N 290.298 0.890 0 50 CCAA O=C(CN1CCC[C@@H]1c1cn[nH]c1)N=c1cco[nH]1 639782524 XRYFFACMFTUPOM-SNVBAGLBSA-N 261.285 0.595 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cncc(O)c1 644230506 HLZLPLGISGODOA-BNOWGMLFSA-N 291.351 0.505 0 50 CCAA COC(=O)[C@H](Cc1ccncc1)NC(=O)c1cccn1C 562026991 LKVMBAHQMDJMRV-LBPRGKRZSA-N 287.319 0.934 0 50 CCAA Cc1cccc(N(C)C(=O)[C@H]2CCc3nnnn3CC2)n1 651350163 JSMVCSVPJHFGEO-NSHDSACASA-N 286.339 0.992 0 50 CCAA CN1CC(=O)N(CCN2CC[C@@H](C(C)(C)C)[C@H](O)C2)C1=O 585094379 UEJFHHZDQYQAMX-VXGBXAGGSA-N 297.399 0.609 0 50 CCAA Cn1ccc(C(=O)NCC[S@@](=O)C(F)(F)F)n1 585127515 BVBYAPLNCRTBRR-QGZVFWFLSA-N 269.248 0.418 0 50 CCAA C[C@H](NC[C@@H]1CCC=CO1)[C@H]1CN(C)CCN1C 685945138 XLWOUDLLYZNVMG-MELADBBJSA-N 253.390 0.903 0 50 CCAA O=C(c1ccon1)N1CC[C@@H](N=c2ccc3nccn3[nH]2)C1 572744825 RMBZEOXOQIIZPX-SNVBAGLBSA-N 298.306 0.466 0 50 CCAA C=CC(=O)N1CCC(c2c(C(=O)O)nnn2C)CC1 1615056459 YSDRHBIPICIZAL-UHFFFAOYSA-N 264.285 0.405 0 50 CCAA Cc1cnc(N[C@@H]2CCCCN(CC(=O)O)C2=O)nc1C 1615571314 ISSQCKBRQQLUOO-LLVKDONJSA-N 292.339 0.971 0 50 CCAA COc1nscc1S(=O)(=O)Nc1cc(C)nn1C 1615588146 OPDIKTHIXSEXQK-UHFFFAOYSA-N 288.354 0.994 0 50 CCAA CC(C)CN1CCN(CCc2nccn2C)C[C@@H]1CCO 1529172455 HYHQHYJSYKBISX-HNNXBMFYSA-N 294.443 0.987 0 50 CCAA Cc1cc(C[C@@H]2CN(CC(=O)NC(C)(C)C)C[C@H]2O)n[nH]1 1704327884 UMHFRMYWDHYZHO-DGCLKSJQSA-N 294.399 0.468 0 50 CCAA Cc1noc(C)c1CC(=O)N1CCOC[C@@H]1CC(=O)O 129452066 XANQKUKMJBKUQN-JTQLQIEISA-N 282.296 0.536 0 50 CCAA CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CS(C)(=O)=O 408394254 JBDGBQSUDPANOR-MNOVXSKESA-N 274.386 0.116 0 50 CCAA Cc1nc(N2CCN(C)C3(CCN(C)CC3)C2)n(C)n1 1704350033 NUTYPUJZPYNYCN-UHFFFAOYSA-N 278.404 0.340 0 50 CCAA CCCCCNC(=O)c1cnn(C)c1-n1cnnc1 357294836 BEMZXSABDWZPTB-UHFFFAOYSA-N 262.317 0.921 0 50 CCAA OCC1(CO)[C@H]2CN(c3nc4ccccc4o3)C[C@H]21 1772813266 YZXZADAETBKEFG-AOOOYVTPSA-N 260.293 0.865 0 50 CCAA O=C(N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cc(F)cc(F)c1 1875246627 DDEQFTIDTKFWTB-IRCOFANPSA-N 285.246 0.222 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)Cc1ccnn1C 643853558 DAALKMHDLGLZRD-CYBMUJFWSA-N 281.312 0.055 0 50 CCAA NC[C@@H]1CN(C(=O)Cc2cnn3ccccc23)CCO1 648110849 UNGJFWMZQKMJNV-GFCCVEGCSA-N 274.324 0.063 0 50 CCAA CNC(=O)[C@H]1CCCN1C(=O)c1cnn2ccccc12 335985129 OGWBMRCIENIOSE-GFCCVEGCSA-N 272.308 0.685 0 50 CCAA C[C@H](N)C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1 262480126 RISWFWIQXGRIKL-MADCSZMMSA-N 269.732 0.504 0 50 CCAA C[C@@H](C(=O)N1CCO[C@@H](Cn2cccn2)C1)n1cccn1 264719541 HEGXAZTYAAHUIJ-QWHCGFSZSA-N 289.339 0.568 0 50 CCAA Cn1nnnc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 904205408 QNEYYGLMCVPEPE-VIFPVBQESA-N 286.295 0.202 0 50 CCAA COc1ccnc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)c1 1704313228 ITOCWDFDPSMBSM-RYUDHWBXSA-N 291.351 0.493 0 50 CCAA COc1nn(C)cc1CNC(=O)[C@H](C(=O)O)C(C)C 908122750 YBMOPLXPWSFAFC-SECBINFHSA-N 269.301 0.402 0 50 CCAA Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNc3ncccn3)C2)n[nH]1 856773206 BCLVYWGSAIMQPZ-HBNTYKKESA-N 274.328 0.870 0 50 CCAA Cn1nc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cc1O 863981713 LBITXPGFLGCYIS-IEBDPFPHSA-N 293.323 0.984 0 50 CCAA Cc1nnc2n1C[C@@H](CN(C)C)N(C(=O)COC(C)C)C2 952848330 FIXXCBNHKBLPFU-GFCCVEGCSA-N 295.387 0.284 0 50 CCAA Cc1ccn(C)c1C(=O)N[C@H]1CCO[C@H]1c1nc[nH]n1 952889213 ZKFQNPVUFDYOKU-GXSJLCMTSA-N 275.312 0.712 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1N1C(=O)N[C@H](CC(F)F)C1=O 1875271224 GXDSRNAMZYKCEK-XVMARJQXSA-N 275.255 0.229 0 50 CCAA COC(=O)/C=C/CNC(=O)C(C)(C)n1cnc(C)c1 1875273018 VODDIQRJBRUCHJ-AATRIKPKSA-N 265.313 0.772 0 50 CCAA CC(C)c1ncc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)[nH]1 1773081497 VHTWKJYWJPALDQ-YMTOWFKASA-N 293.323 0.706 0 50 CCAA C[C@@](O)(CNC(=O)c1ncccc1O)C(F)(F)F 270822963 BNUHGVYJLGDYSM-SECBINFHSA-N 264.203 0.830 0 50 CCAA CO[C@H](C(=O)N1CCCC[C@@H]1C(=O)O)[C@@H]1CCOC1 656472746 ANQQITKAZNBERS-MXWKQRLJSA-N 271.313 0.504 0 50 CCAA CN(C)S(=O)(=O)[C@H]1CCCN(Cc2ncc[nH]2)C1 375688275 MUIPEIZPDZBPKE-JTQLQIEISA-N 272.374 0.266 0 50 CCAA NC(=O)CSc1nnnn1-c1ccc(F)cc1F 34905 UPTKZYMXQMPWLD-UHFFFAOYSA-N 271.252 0.518 0 50 CCAA CC(=O)SC[C@H](C)C(=O)N1CCC[C@@H]1C(=O)O 58133 ZNQRGUYIKSRYCI-IONNQARKSA-N 259.327 0.978 0 50 CCAA COc1ccc(CC2C(=O)NC(=S)NC2=O)cc1 758708 JOIOSSGNELWVEA-UHFFFAOYSA-N 264.306 0.385 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](CCCCNC=O)C(=O)O 1794855 QYCPNUMTVZBTMM-VIFPVBQESA-N 274.317 0.881 0 50 CCAA CC(C)COC(=O)[C@H](C)Sc1nnc(O)[nH]c1=O 2491443 QHQJQRZZXMOCHF-LURJTMIESA-N 273.314 0.550 0 50 CCAA COC(=O)C[C@H](CN)NC(=O)OCc1ccccc1 2510804 TWGOBVDBXJWKML-LLVKDONJSA-N 266.297 0.803 0 50 CCAA Cc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(C)o1 2978719 NPIPWLVEOOCSDV-VIFPVBQESA-N 269.253 0.944 0 50 CCAA NC1(CC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CCC1 237990077 SXVPAYMRDUDYBT-NEPJUHHUSA-N 268.357 0.664 0 50 CCAA OCCN1CCN(Cc2nc(-c3ccccn3)no2)CC1 20997438 JVSCLQINCUEGCM-UHFFFAOYSA-N 289.339 0.242 0 50 CCAA Cc1nc(CN2CCC[C@H](N[C@H]3C[C@H](C)OC3=O)C2)no1 247951066 KJHWPHWUXQGEQO-DLOVCJGASA-N 294.355 0.636 0 50 CCAA O=C(NCCn1ccc2ccccc21)Nc1nnn[nH]1 23428846 RAACWBJOYURFRB-UHFFFAOYSA-N 271.284 0.976 0 50 CCAA Cc1cc(C(=O)NCc2c(C)ncc3c2CCNC3)n[nH]1 72433506 RJHLXNUEAIXCBL-UHFFFAOYSA-N 285.351 0.997 0 50 CCAA Cc1ccoc1C(=O)NC1(C(=O)O)CCOCC1 127440808 HKHMAVPECJNEMU-UHFFFAOYSA-N 253.254 0.952 0 50 CCAA CCCc1n[nH]c([C@@H]2CN([C@H]3CCN(C)C3=O)CCO2)n1 257366145 LGDWJYFTCWSCQM-QWRGUYRKSA-N 293.371 0.361 0 50 CCAA CC(=O)C1(C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)CC1 331380784 JLKGASYSZRAROI-SNVBAGLBSA-N 273.354 0.391 0 50 CCAA COc1ccc(C(=O)CNC(=O)CN(C)C)cc1 131777980 SQJQDQUPAJWCEX-UHFFFAOYSA-N 250.298 0.556 0 50 CCAA Nc1nnc(SCC(=O)NC[C@H]2CCOC2)s1 222293816 GSKMYSZEENTJDL-ZCFIWIBFSA-N 274.371 0.365 0 50 CCAA Cc1n[nH]c(C)c1CCCN(C)C(=O)CN1CCOCC1 223515288 LECPAWCOFYMPKH-UHFFFAOYSA-N 294.399 0.750 0 50 CCAA CCc1oc(C(N)=O)cc1CSc1nnc(CN)n1C 426394607 NHGLSILCAAVQPO-UHFFFAOYSA-N 295.368 0.820 0 50 CCAA Cc1cncn1C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 613612088 PNRGWZVPIUNQJM-GFCCVEGCSA-N 291.355 0.379 0 50 CCAA CN(C)C[C@@H]1CN(C(=O)c2n[nH]cc2Cl)C[C@@H]1CO 91616785 HAXNNKDYRFNFJL-RKDXNWHRSA-N 286.763 0.305 0 50 CCAA CN(C[C@H]1CCCCO1)C(=O)NCc1nc[nH]n1 426436553 MFJFHCZJHNLOTQ-SECBINFHSA-N 253.306 0.515 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)C2[C@H]3CCC[C@H]23)CCO1 161834003 JNSFGLXBPMHOSS-UTLUCORTSA-N 253.298 0.735 0 50 CCAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)NCCC(N)=O 426489810 WSDQHSRCJRFMNM-GFCCVEGCSA-N 295.339 0.333 0 50 CCAA CCn1ccnc1[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 91645512 UENOXPXIBSPMBG-LLVKDONJSA-N 289.343 0.296 0 50 CCAA CCCn1ncc(C(=O)NCCN2CCNC2=O)c1C 91819335 BMUHZKKMPDIBKP-UHFFFAOYSA-N 279.344 0.357 0 50 CCAA CC1(C)SC[C@@H](C(=O)NCCc2c[nH]cn2)NC1=O 97295207 GNIOSOGKCLEFSG-VIFPVBQESA-N 282.369 0.079 0 50 CCAA CN1CCCCC[C@H]1C(=O)NCCSc1ncn[nH]1 91725687 VOVPMTVLVGBQSK-JTQLQIEISA-N 283.401 0.887 0 50 CCAA CC(C)n1ncnc1CN1CCC[C@H]2C(=O)N(C)C[C@H]21 299746139 VPHFMCFGZPIQQA-VXGBXAGGSA-N 277.372 0.912 0 50 CCAA COc1cccc2sc(NC(=O)[C@H]3C[C@H](O)CN3)nc12 299751662 RFEHPTPZPCOWIL-JGVFFNPUSA-N 293.348 0.966 0 50 CCAA CCCc1cc(C(=O)NCCc2nc(N)n[nH]2)n[nH]1 534644208 BOJOQPSWBUFPOQ-UHFFFAOYSA-N 263.305 0.035 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)CCCN1CCCCC1=O 534632422 RHZSZAZZQOXYES-STQMWFEESA-N 297.399 0.224 0 50 CCAA CCOc1ccc(C(=O)NCc2nc(N)n[nH]2)cc1OC 534637773 HGDPCMOEAXNOJV-UHFFFAOYSA-N 291.311 0.724 0 50 CCAA O=C([C@H]1C=CCN1)N1CCC(Cn2ccnc2)CC1 534590727 ZWWGNOPTVRXOBU-CYBMUJFWSA-N 260.341 0.650 0 50 CCAA CC(C)OC(=O)N1CCC(NCCn2ccnn2)CC1 534587871 UJBUDNQOJNZRPZ-UHFFFAOYSA-N 281.360 0.877 0 50 CCAA COC[C@@H](C)C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1 299791766 FTMPSYXIBYFZSC-SECBINFHSA-N 267.329 0.838 0 50 CCAA CC(C)S(=O)(=O)NC[C@@H]1CCC2(CCNCC2)O1 299800902 WJYVLIHLSBEFKR-NSHDSACASA-N 276.402 0.615 0 50 CCAA O=C1NC2(CCOCC2)C(=O)N2Cc3ccccc3C[C@H]12 828301515 LYZGGXFVRCOUFJ-CYBMUJFWSA-N 286.331 0.619 0 50 CCAA CC(C)N1CCCC[C@H]1CCNC(=O)CNC(N)=O 827838957 UHKSRDJGGFPPGX-NSHDSACASA-N 270.377 0.424 0 50 CCAA O=C(Cn1ccc(=O)cc1)N1CCC(c2nc[nH]n2)CC1 827913516 RFXVQFPHUYJVIR-UHFFFAOYSA-N 287.323 0.373 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NCCCn1ccccc1=O 827847789 RGODRWBDSDBAHT-UHFFFAOYSA-N 288.351 0.937 0 50 CCAA O=C(NCc1ccc2nc(O)[nH]c2c1)C(=O)N1CCCC1 827608974 UXAKCGSDOYZRMK-UHFFFAOYSA-N 288.307 0.507 0 50 CCAA CC[C@@H](CNC(=O)N(C)CCn1ccnc1)N(C)C 584895960 KRJIHFVYKVGTDN-LBPRGKRZSA-N 267.377 0.865 0 50 CCAA CCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1O 44168605 UWCTXXNFSDZRJM-PMXAPFLYSA-N 296.319 0.584 0 50 CCAA in-vitro COc1ncc(CNCCN2CCC[C@@H](CO)C2)cn1 952985362 VKTRQJQICGEYQS-GFCCVEGCSA-N 280.372 0.279 0 50 CCAA C[C@@H]1CN(C(=O)COCC(F)(F)F)C[C@H]1C(N)=O 408473836 LSRYYJHITGWAGN-RNFRBKRXSA-N 268.235 0.145 0 50 CCAA COCc1nc(OC)cc(N2CC(c3n[nH]c(C)n3)C2)n1 895327250 DHMFIMRMIAAMMD-UHFFFAOYSA-N 290.327 0.662 0 50 CCAA C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc2[nH]nnc2c1 274430177 QAZVZFOZVXAQKS-KOLCDFICSA-N 290.323 0.570 0 50 CCAA C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CCc1cn(C)nn1 668867101 WJSWUTHHICSAPB-TZMCWYRMSA-N 291.399 0.833 0 50 CCAA CCOC(=O)c1n[nH]c([C@H](C)N=c2nc(CC)[nH]s2)n1 585092893 SQZISDVHCQJPRZ-LURJTMIESA-N 296.356 0.990 0 50 CCAA CC(C)(C(=O)O)C(=O)NCC(=O)Nc1cccnc1 649464033 LLITTZUZKIVIHC-UHFFFAOYSA-N 265.269 0.247 0 50 CCAA COCCN1C(=O)N[C@@H]2CN(C(=O)C3CCCC3)CC[C@@H]21 566634756 VPNOXAYVSIHKGP-OLZOCXBDSA-N 295.383 0.818 0 50 CCAA NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCC1CC1 1616038023 DKMOLSKXMHQAEW-OLZOCXBDSA-N 292.335 0.580 0 50 CCAA Cn1ccnc1CN1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616076520 UDJCPMUVTXFJBP-JSGCOSHPSA-N 272.352 0.851 0 50 CCAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CNCC2 1800414284 MQJKDEJAILAWHI-UHFFFAOYSA-N 261.329 0.400 0 50 CCAA CC1=C(C(=O)N[C@@H]2CCCC[C@H]2O)S(=O)(=O)CCO1 242183885 XCTAPMSDRPHFPY-NXEZZACHSA-N 289.353 0.083 0 50 CCAA C[C@@H]1CNC[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 227332338 KQEVHGHFESVWEC-WBMYTEFPSA-N 260.337 0.616 0 50 CCAA O=C(NCC1(C(=O)O)CCOCC1)c1ccc[nH]1 138136963 QDZLPBNMVBGCHD-UHFFFAOYSA-N 252.270 0.626 0 50 CCAA CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(OC)nc2)C1 155795612 NCISCHWVZHWKJU-LLVKDONJSA-N 285.369 0.214 0 50 CCAA CO[C@H](C)c1noc(Cn2cnn(C(C)(C)C)c2=O)n1 155859588 BHMOUDMRTBXJQI-MRVPVSSYSA-N 281.316 0.939 0 50 CCAA NC(=O)c1cc(S(=O)(=O)Nc2ccon2)cs1 16625294 AOMUEWMIYPSZRC-UHFFFAOYSA-N 273.295 0.636 0 50 CCAA COc1cc(C)c(C)cc1S(=O)(=O)N(C)CC(N)=O 16651696 DEOMCMVKRHFERF-UHFFFAOYSA-N 286.353 0.418 0 50 CCAA CO[C@@H](C)C(=O)N[C@H](c1nc(=O)o[nH]1)C(C)(C)C 911587109 ORNULDHJQHNUMN-NKWVEPMBSA-N 257.290 0.601 0 50 CCAA Cn1cnc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c1 1857739499 LZMAJNJPKIUPND-SGMGOOAPSA-N 290.367 0.402 0 50 CCAA CO[C@@H]1CN(Cc2nc(C(C)C)no2)C[C@H]1c1cnn[nH]1 621321465 JCUMRXKEUOYAJW-GXSJLCMTSA-N 292.343 0.926 0 50 CCAA CN1CCC[C@H](NC(=O)N[C@@H]2CC23CCOCC3)C1=O 527989359 ZJNFFKWHKZQPFX-WDEREUQCSA-N 281.356 0.476 0 50 CCAA O=C(CCc1nn[nH]n1)N1CCC[C@@H]1CN1CCCC1 630861051 RMNMAPIPNIMLNY-LLVKDONJSA-N 278.360 0.219 0 50 CCAA O=C(c1cc(-c2ccoc2)[nH]n1)N1C[C@@H](O)C[C@H]1CO 548480346 PDJCKUISQCXHBJ-UWVGGRQHSA-N 277.280 0.237 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)CN1CCC(C)CC1 818312697 VXNSBQGZTXPZSR-HNNXBMFYSA-N 298.383 0.811 0 50 CCAA O=C(c1ccc2oc(O)nc2c1)N1C[C@@H]2C[C@H](O)[C@H]2C1 1875268101 URNNTANWGLEQKP-QXEWZRGKSA-N 274.276 0.986 0 50 CCAA CCOC(=O)[C@@H]1C[C@H](F)CN1c1nccc(C2CNC2)n1 1875326504 JKSRKBIRGDMQLT-JQWIXIFHSA-N 294.330 0.643 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H](c1ncc(C)[nH]1)C1CC1 1875367649 ZQJJFOBAHHOOSZ-ZDUSSCGKSA-N 276.340 0.930 0 50 CCAA CN1C(=O)CN(C(=O)c2cc(O)nc(C3CC3)n2)[C@H]2C[C@H]21 1875302553 VYMPQOJOCDSGMP-ZJUUUORDSA-N 288.307 0.115 0 50 CCAA O=C1NC2(CC2)C(=O)N[C@H]1Cc1ccc(O)c(F)c1 1875319784 RQTZKBWOUWWZDG-VIFPVBQESA-N 264.256 0.221 0 50 CCAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)/C=C/CN(C)C 1875376666 FGOAISYWLPTXBY-GUOLPTJISA-N 267.373 0.525 0 50 CCAA Cn1cnnc1C[C@@]1(O)CCCN(Cc2ccco2)C1 886089064 UIUITHFGOFNVTC-AWEZNQCLSA-N 276.340 0.978 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCc2c(ncn2CC)C1 886613225 ITHWWBATOMCXHX-UHFFFAOYSA-N 290.367 0.822 0 50 CCAA O=C(Cc1n[nH]c2ccccc12)N1CC(N2CCCC2=O)C1 888760993 RPLNSXXVPLICKL-UHFFFAOYSA-N 298.346 0.939 0 50 CCAA Cc1nc(CC(=O)N2CCO[C@H](COCC3CC3)C2)n[nH]1 1775988096 GIBVPVQDJQGVIS-LBPRGKRZSA-N 294.355 0.310 0 50 CCAA Nc1cc(C(=O)N2CCCC3(CCOCC3)C2)[nH]n1 584893875 JXCGPEKUHNTRTP-UHFFFAOYSA-N 264.329 1.025 0 50 CCAA COC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[C@H]2F)[C@H]1C 2325839101 IWPQTLZWBDIVPZ-HDLKOFKZSA-N 298.358 0.733 0 50 CCAA COCCNC(=S)Nc1nc(OC)cc(OC)n1 2341982 JXNRYUHBNBPZGP-UHFFFAOYSA-N 272.330 0.427 0 50 CCAA COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1O 4902420 MVYKIGVZGNHAEL-UHFFFAOYSA-N 296.308 0.574 0 50 CCAA COCCNCc1cc(Cl)ccc1OCC(N)=O 6747288 LKDHQEPVKCPHAN-UHFFFAOYSA-N 272.732 0.940 0 50 CCAA C[C@@H]1COCCN1C(=O)C(C)(C)S(=O)(=O)C1CC1 328898016 WKNGGSSVTUXJKW-SECBINFHSA-N 275.370 0.590 0 50 CCAA CCN1CCNC(=O)[C@H]1CC(=O)OCc1ccccc1 35826280 RVRGECYUBNFLMX-CYBMUJFWSA-N 276.336 0.940 0 50 CCAA Cn1nccc1NC(=O)N1CCC[C@@H]1CN1CCOCC1 125692330 DCQFFCNRHREWQG-GFCCVEGCSA-N 293.371 0.749 0 50 CCAA NC(=O)[C@@H]1CN(Cc2cccc(C(=O)O)c2)CCO1 215649357 NDSDVIPQHDESKR-NSHDSACASA-N 264.281 0.071 0 50 CCAA CN(CC(N)=O)C[C@H]1CN([C@H]2C=CCCC2)CCO1 253398448 QUGLVFIXOJZQIS-STQMWFEESA-N 267.373 0.213 0 50 CCAA COc1ccnc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 330507206 HUBZUDAGTRTBON-VIFPVBQESA-N 284.337 0.854 0 50 CCAA Cc1nc(N)sc1C(=O)NCCc1cnn(C)c1 128121491 DGYVYEBMAVPQAS-UHFFFAOYSA-N 265.342 0.740 0 50 CCAA CC(=O)OCCn1c(C)nc2c1CC[C@H](C(=O)O)C2 216712408 OKFKOZGRRZVTIR-JTQLQIEISA-N 266.297 0.944 0 50 CCAA NC(=O)[C@@H]1c2ccccc2CCN1C(=O)CCc1cnc[nH]1 369133882 IDHQWALHXAXQMM-HNNXBMFYSA-N 298.346 0.954 0 50 CCAA CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCCC1 336492105 VBWWURPMJPXATO-LLVKDONJSA-N 289.401 0.606 0 50 CCAA O=C(NC[C@H](O)[C@H]1CCOC1)[C@@]12CCCC[C@H]1CNC2 262505931 JDWWMBYZKBNXBU-PWNZVWSESA-N 282.384 0.280 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2CO)cc1 39292625 RBSLQBNFZCEBJT-WDEREUQCSA-N 271.338 0.111 0 50 CCAA C[C@@H]1CC[S@](=O)CCN1CC(=O)NC[C@@H]1CCCO1 375929002 BORHFYWCTORLOG-UFYHVXEKSA-N 288.413 0.125 0 50 CCAA O=c1cc(CN2C[C@H]3C4CCC(CC4)[C@H]3C2)[nH]c(=O)[nH]1 72133037 ZLWXLBFTWLELPU-UZIHZSBWSA-N 275.352 0.931 0 50 CCAA Cn1cnc2cc(C(=O)N3CC[C@]4(CNC(=O)C4)C3)ccc21 334720586 HGQMAJNRDVRLHA-INIZCTEOSA-N 298.346 0.926 0 50 CCAA C[C@H]1CN([C@H]2CCC(=O)NC2=O)CCN1CC(F)(F)F 240534528 GOHMJIBGZHGODS-IUCAKERBSA-N 293.289 0.360 0 50 CCAA CN1CCOC[C@@H](CNc2cncc(C(=O)N(C)C)n2)C1 72151015 YENSTCUBYHACRF-NSHDSACASA-N 293.371 0.169 0 50 CCAA Cc1nnnn1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 131869624 HMTOYPMVPZHILZ-MRVPVSSYSA-N 277.250 0.782 0 50 CCAA COCCCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 176483866 YLKQREVUDCHEPB-GHMZBOCLSA-N 255.362 0.947 0 50 CCAA CO[C@@H](C)CNC(=O)NCCNC(=O)c1cccnc1 190277309 KYSMDLAHSUXOAE-JTQLQIEISA-N 280.328 0.146 0 50 CCAA CC1=NO[C@@](C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)C1 426602526 OZGOGHHCSJFLAR-JDVQERKKSA-N 252.270 0.330 0 50 CCAA CC(C)CN1CCCn2nc(CNC(=O)CCN)cc2C1 82137766 SXOQGONFNBLAMD-UHFFFAOYSA-N 293.415 0.710 0 50 CCAA C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1ccnn1 287326694 VTSQPRSKXDBRQC-UWVGGRQHSA-N 265.317 0.683 0 50 CCAA CCC1=NO[C@@H](C(=O)NCCCn2ccccc2=O)C1 220069889 CYUKFHADVTXSEQ-GFCCVEGCSA-N 277.324 0.910 0 50 CCAA Cc1cc(C)c(CC(=O)NCCS(N)(=O)=O)c(C)c1 179774038 XCBNZTUHYYSDCZ-UHFFFAOYSA-N 284.381 0.559 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N[C@H](CC(=O)O)CC(C)C 426486470 UADCDWHWNYGQTL-VIFPVBQESA-N 283.328 0.972 0 50 CCAA Cc1cc(=O)c(C(=O)NCCc2csc(N)n2)c(C)[nH]1 426496926 OZFIDZIDZUOWNY-UHFFFAOYSA-N 292.364 1.003 0 50 CCAA O=C(C1CCOCC1)N1CCC2(CCNC[C@H]2CO)CC1 97307818 GEJVYPUZHZTDDA-AWEZNQCLSA-N 296.411 0.624 0 50 CCAA Cc1ccn2c(C(=O)N(C)C3CCOCC3)nnc2n1 426412134 CMRMVIXYKCVMNM-UHFFFAOYSA-N 275.312 0.684 0 50 CCAA COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 239165230 NSUAJMBIBIXWTK-FJJYHAOUSA-N 289.287 0.735 0 50 CCAA O=C(c1cc(O)c2cccc(F)c2n1)N1CC(O)C1 97632158 HITULAOHSRSQHW-UHFFFAOYSA-N 262.240 0.896 0 50 CCAA Cn1cc(CCC(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3O)cn1 91908539 IGMWQPQHIGQJNF-BETUJISGSA-N 293.367 0.087 0 50 CCAA NCCNS(=O)(=O)c1cc(F)ccc1Cl 162526069 ZMAKLZHRTKEGKC-UHFFFAOYSA-N 252.698 0.716 0 50 CCAA Cc1cccn(CC(=O)N2CCC[C@@H]2CO)c1=O 181912247 CZRNLYZIDMOYFX-LLVKDONJSA-N 250.298 0.140 0 50 CCAA CC(C)Cn1cncc1CN1CCC[C@@H]1C(N)=O 252484400 FVJGLNNDVPZGHG-GFCCVEGCSA-N 250.346 0.989 0 50 CCAA CCN1CCN(CC(=O)N(C)Cc2ccoc2)CC1 344116222 SCDIKILUMPAYBB-UHFFFAOYSA-N 265.357 0.876 0 50 CCAA CCN(C)C1(CNC(=O)c2c[nH]c(=O)cn2)CCCC1 534634881 OAVHCKZPSWXCSF-UHFFFAOYSA-N 278.356 0.764 0 50 CCAA O=C(O)c1n[nH]cc1CN1CCN(c2cnccn2)CC1 534584127 DHQUIJCCHYYIBO-UHFFFAOYSA-N 288.311 0.220 0 50 CCAA CN1CCC2(CC1)CN(C(=O)CCCC(=O)O)CCN2C 823770151 QOLVJJZIXBBBKX-UHFFFAOYSA-N 297.399 0.480 0 50 CCAA COc1ncc(CN2CCN3C(=O)OC[C@@H]3C2)cn1 824851824 KAQVRDLPESAOPP-JTQLQIEISA-N 264.285 0.122 0 50 CCAA O=C(CC1CCNCC1)N[C@H]1COC[C@@H]1N1CCCC1 828038966 RROVBYGMNLTULX-KBPBESRZSA-N 281.400 0.356 0 50 CCAA CN(CCCn1cccn1)C(=O)CCCn1cnnn1 584886418 XSNSUWVRZPYIMJ-UHFFFAOYSA-N 277.332 0.199 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCCn1cncn1 584895248 GNWLQMBGEOGEBJ-STQMWFEESA-N 295.387 0.282 0 50 CCAA CN1C(=O)[C@@H]2CN(C(=O)c3cccc4cc[nH]c34)C[C@@H]2C1=O 584893480 UCMJUWHTKYDMDA-TXEJJXNPSA-N 297.314 0.855 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)NCc1ccco1 1074561266 WQXUWTXHOAKBFY-RNJOBUHISA-N 279.340 0.796 0 50 CCAA CN(CCCn1cccn1)C(=O)/C=C/c1cnc(N)nc1 952868198 DOKNLISYWDJXOS-SNAWJCMRSA-N 286.339 0.817 0 50 CCAA CCn1ccc(CNCCN2CCCC[C@H]2CO)n1 952991228 VBJKMGIMLWLIPT-AWEZNQCLSA-N 266.389 0.839 0 50 CCAA COc1ccc(C(=O)N[C@H](C)CO[C@@H]2CCOC2)nn1 268027850 YDIONBNSVCLRKP-NXEZZACHSA-N 281.312 0.409 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)c1c(Cl)c(C)nn1C 1565506637 XYINOMROTWSEIP-IUCAKERBSA-N 287.747 0.916 0 50 CCAA Cc1nc(C)c(CC(=O)N[C@@H]2CNCC[C@@H]2O)s1 1565505704 HHPWXJIMLBHAGK-ZJUUUORDSA-N 269.370 0.141 0 50 CCAA CN(C)C(=O)O[C@H]1CCN(C(=O)c2ccc(O)cn2)C1 1468279024 CLXWQVAWGGACMH-JTQLQIEISA-N 279.296 0.700 0 50 CCAA CCS(=O)(=O)N1CCN([C@@H](C)c2n[nH]c(C)n2)CC1 408470990 XKUGXGIBNRPWMQ-VIFPVBQESA-N 287.389 0.141 0 50 CCAA CNCC(=O)Nc1cc(F)cc(N2CCOCC2)c1 166876921 BYIAFBSXXOGGNW-UHFFFAOYSA-N 267.304 0.820 0 50 CCAA COC[C@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)O)C1 701437352 MOKRKDKWQQAHNH-KWBADKCTSA-N 271.313 0.361 0 50 CCAA CON(C)C(=O)CCN1CCN(c2ncccn2)CC1 170616819 XYGVEJBVNVGLAN-UHFFFAOYSA-N 279.344 0.009 0 50 CCAA C[C@@H]1CN(C[C@H](O)C(F)(F)F)CCN1CC(C)(C)O 189879308 YHPUGUGVQDEKGT-ZJUUUORDSA-N 284.322 0.687 0 50 CCAA O=C1C[C@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CO1 585087043 DAKIGKBSPHDZPR-RYUDHWBXSA-N 294.351 0.314 0 50 CCAA CC[C@H](CO)Sc1nnnn1C[C@@H]1CCCO1 585138697 IMXBNDRGKDOGFV-DTWKUNHWSA-N 258.347 0.715 0 50 CCAA Cn1nc2c(c1C(=O)N1CCOC[C@@H]1CCO)CCCC2 769056736 TXYNIZVQUAWKOM-NSHDSACASA-N 293.367 0.522 0 50 CCAA CCc1ncc(S(=O)(=O)N2CCC[C@H]2C2(O)CC2)[nH]1 1772810495 KINBRIGHNVCEKE-VIFPVBQESA-N 285.369 0.650 0 50 CCAA CCn1ncnc1CN1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529095181 NFIUOWSPHMDQCB-ZIAGYGMSSA-N 287.367 0.728 0 50 CCAA Nc1nc(NCCN2CCCC[C@H]2CO)c2ncnc-2[nH]1 1529139767 SBUDTBZWYQMVJL-VIFPVBQESA-N 291.359 0.145 0 50 CCAA CCc1nnsc1C(=O)NC1(C(=O)O)CCC1 164847573 GHTFKEFRDYTWDY-UHFFFAOYSA-N 255.299 0.838 0 50 CCAA COC(=O)CSC(=S)N(C)[C@@H]1CCS(=O)(=O)C1 5126443 JKVCVLAWPOFERI-SSDOTTSWSA-N 297.423 0.296 0 50 CCAA CCc1nnc(CNC(=O)[C@H]2CCn3nccc3C2)o1 1857713883 VQBLNQPXGPUDAY-VIFPVBQESA-N 275.312 0.707 0 50 CCAA C[C@@H]1CN2C[C@H](NC(=O)CCCc3cn[nH]c3)C[C@H]2CO1 1857722485 JRTAMXVBLNBFJZ-BNOWGMLFSA-N 292.383 0.710 0 50 CCAA COc1ccc(C)cc1C(=O)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875249480 VMAWMEUYSQUMNS-OIMNJJJWSA-N 293.319 0.261 0 50 CCAA CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)COC)n1 408515230 LBARUQCXSAOUHY-SECBINFHSA-N 298.343 0.831 0 50 CCAA C[C@@H](NCc1cnn2c1CN(C)CC2)c1c[nH]ccc1=N 952886918 VFHSNTCQOYEESX-LLVKDONJSA-N 286.383 0.987 0 50 CCAA CN(Cc1ccn(C)n1)C(=O)N[C@H]1CCc2nc[nH]c2C1 1772412989 HZOLEHAXMLVGLI-JTQLQIEISA-N 288.355 0.842 0 50 CCAA C[C@](O)(CN1CCn2ncnc2C1)C(F)(F)F 407957880 OLCZFCWSRVLVAJ-QMMMGPOBSA-N 250.224 0.407 0 50 CCAA Nc1cccc2ccc(S(=O)(=O)NCCO)cc12 2490449 LGNTYNNBLRZOJW-UHFFFAOYSA-N 266.322 0.693 0 50 CCAA Nc1nc(S(=O)(=O)CCc2ccccc2)n[nH]1 8015695 QSULSVGCMRYJAD-UHFFFAOYSA-N 252.299 0.403 0 50 CCAA C[C@@H](C(=O)Nc1nccs1)N1CCC(C(N)=O)CC1 10505757 REVDVPJREHKAHR-QMMMGPOBSA-N 282.369 0.667 0 50 CCAA O=C(OCCN1CCOCC1)[C@@H]1COc2ccccc2O1 20058033 RHPWNBLSCKLIEB-AWEZNQCLSA-N 293.319 0.702 0 50 CCAA O=C([C@@H]1CCCNC1)N1CCO[C@H]([C@H]2CCCO2)C1 246491505 DRNANSGWNHUUDM-UPJWGTAASA-N 268.357 0.392 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CCN1Cc1cccc2nonc12 65396960 ANAKHYTZIVIYMT-CMPLNLGQSA-N 291.307 0.721 0 50 CCAA Cc1cc(C2CCC2)nc(N(C)C[C@@H](O)CO)n1 71746885 LBDNVSWOHYWAMI-LLVKDONJSA-N 251.330 0.842 0 50 CCAA Cc1onc(N)c1S(=O)(=O)N1CCC[C@H](C)C1 72240892 QBOKLEGQQMEGNN-ZETCQYMHSA-N 259.331 0.986 0 50 CCAA Cn1nc(C(=O)NC[C@H]2CCc3ccccc3O2)ccc1=O 215187100 KEOIULMJHJXMBU-GFCCVEGCSA-N 299.330 0.904 0 50 CCAA CC1(C)CC(NC(=O)CCS(C)(=O)=O)CC(C)(C)N1 122828527 FHMPRUKYPVMPRJ-UHFFFAOYSA-N 290.429 0.847 0 50 CCAA CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)Cc2ccon2)C1 257365979 DYXTVJKUROANRI-CMPLNLGQSA-N 287.385 0.823 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)NC1(C(N)=O)CCCC1 70890336 PFXQQGOVHZFSLB-UHFFFAOYSA-N 292.383 0.884 0 50 CCAA OCCN1CCN(CCO)[C@@H](c2cccc(F)c2)C1 366996506 OGZNWYHJGJQGIH-CQSZACIVSA-N 268.332 0.469 0 50 CCAA O=C(C[C@H]1COCCN1)Nc1cc(C2CCOCC2)[nH]n1 262597849 XHHLEVDDICPKRW-NSHDSACASA-N 294.355 0.621 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C[C@@H](N)CS2(=O)=O)C1 215869112 HIXKKZAKBLIEPB-MRVPVSSYSA-N 276.358 0.122 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CCc2cscn2)CCO1 262931525 GJCZIOKBCCYNPB-SECBINFHSA-N 270.310 0.388 0 50 CCAA CCCn1ccnc1CNC(=O)CCC(=O)N(C)C 222237904 LXJQHOHNVMUDEG-UHFFFAOYSA-N 266.345 0.778 0 50 CCAA CNC(=O)CC(=O)N1C[C@H](OC)Cc2ccccc21 335702420 QIMQOVXNYCZSEK-LLVKDONJSA-N 262.309 0.727 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)Cc2ccn[nH]2)N(C)C1 285375358 YTPIXHPXHMTRFW-RYUDHWBXSA-N 266.345 0.130 0 50 CCAA CC(C)(C)NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3O 225391567 BLAZTYWQGVOJKT-JQRWTQJCSA-N 253.298 0.070 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)nn1C 329863546 RYUJOEVYOUIGNW-SNVBAGLBSA-N 259.313 0.739 0 50 CCAA COc1ccc(F)c(F)c1C(=O)N[C@H](C(=O)O)[C@@H](C)O 426618061 DAIFHPKBOZJBIG-FWOIEVBISA-N 289.234 0.537 0 50 CCAA O=C(NCc1ccc2c(c1)OCO2)c1ccc2nnnn2c1 97547585 SHBDBEHOGHTOTH-UHFFFAOYSA-N 297.274 0.783 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)NC1(C(N)=O)CCCC1 426642887 LPYHGSWNPZETTL-VIFPVBQESA-N 264.329 0.667 0 50 CCAA COc1ccc2c(=O)n(C[C@H](O)CO)ccc2c1OC 95521394 WRNJRTKJLZKIQD-VIFPVBQESA-N 279.292 0.372 0 50 CCAA O=C(Cc1nc(O)n[nH]1)N[C@H]1COC2(CCCCC2)C1 426739703 JEVVTDKRWUAYIV-SECBINFHSA-N 280.328 0.661 0 50 CCAA N=C(O)c1c(N)[n+](=O)c2cc(F)c(F)cc2n1O 334157414 CHMFOXLVAAKUTK-UHFFFAOYSA-O 257.176 0.537 0 50 CCAA Cn1cnc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 178239341 LGDKNBGTGDBVSK-ZETCQYMHSA-N 290.245 0.313 0 50 CCAA CCCn1nccc1NC(=O)CCS(C)(=O)=O 330447922 ICOWWTAPLCUCSJ-UHFFFAOYSA-N 259.331 0.666 0 50 CCAA CCCN(CCOC)C(=O)c1cnc(OC)nc1 426707271 UAJQBDGMPXTEAC-UHFFFAOYSA-N 253.302 0.984 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@@H]3[C@@H]4[C@@H]1[C@H]1[C@H]2[C@@]3(F)[C@H]41 254703062 MCRDYFROONDLDI-RLAOBBAXSA-N 297.289 0.740 0 50 CCAA Cc1ccc([C@@H](O)CN2CCC([C@H](O)C(N)=O)CC2)cc1 299747176 CHLKUOSALNTTQZ-GJZGRUSLSA-N 292.379 0.587 0 50 CCAA COC(=O)N1[C@@H](C)[C@H]2C=C[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)O 252383377 QAOKJXBCIUHDPZ-QKAWAISNSA-N 269.253 0.413 0 50 CCAA C[C@@H](C(=O)O)N(C)C(=O)CCCN1C(=O)NC(C)(C)C1=O 299752801 VMHXLHAVCUZOQH-QMMMGPOBSA-N 299.327 0.029 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CC[C@@H]2CCCOC2)CCO1 299753448 YGDWLLKMOBDZNE-QWRGUYRKSA-N 271.313 0.505 0 50 CCAA Cc1ocnc1C(=O)N[C@H]1COC[C@@H]1N1CCCCC1 534588221 NQKPCAABUIGZMQ-RYUDHWBXSA-N 279.340 0.966 0 50 CCAA CCCOCc1ccccc1CNC(=O)[C@H]1C[C@H](O)CN1 277743533 YGGRFOHEVQYIOM-LSDHHAIUSA-N 292.379 0.952 0 50 CCAA Cc1cc(C)n2nc(NC(=O)c3nc(=O)n(C)[nH]3)cc2n1 1940195874 SXCADFMYYMGDOP-UHFFFAOYSA-N 287.283 0.020 0 50 CCAA CC[C@H](C)Cc1nc(C2(CO)CC2)n(CCO)n1 828776686 IUVXOBASCKYNIM-JTQLQIEISA-N 253.346 0.883 0 50 CCAA CCc1nccn1C[C@H](C)NC1CCN(CCO)CC1 828759854 HSRCNYZJRCMTGA-ZDUSSCGKSA-N 280.416 0.880 0 50 CCAA CCCN1CCC[C@H](NS(=O)(=O)N2CCCC2)C1 822922701 FGYIIBOMFXOLLP-LBPRGKRZSA-N 275.418 0.791 0 50 CCAA NC(=O)CNC(=O)C1(N2CCCCC2)CCCCC1 826837606 UGNWTNPGAPZDBG-UHFFFAOYSA-N 267.373 0.777 0 50 CCAA CN1CC2(CCN(CCCn3cccn3)CC2)OCC1=O 670442328 STMUGCNTFVWMRX-UHFFFAOYSA-N 292.383 0.596 0 50 CCAA CC(C)Cn1cncc1CNC(=O)CCn1cnnn1 670461902 NICMCANBQQVGMM-UHFFFAOYSA-N 277.332 0.232 0 50 CCAA C[C@@](O)(C(=O)NCc1nc(C2CC2)n[nH]1)C1CC1 1335935247 HQQSLPLHEFNSBW-LBPRGKRZSA-N 250.302 0.459 0 50 CCAA C[C@]1(O)CCN(C(=O)CCc2ccncc2)C[C@@H]1O 96139296 XFORZQNRRPPHBF-JSGCOSHPSA-N 264.325 0.358 0 50 CCAA COCc1ncc(C(=O)N2C[C@H](C)[C@@H](C)C2)c(=N)[nH]1 408305355 JGISSDYSEBVANA-IUCAKERBSA-N 264.329 0.764 0 50 CCAA CCn1c(C)ccc(C(=O)N[C@H]2COCC[C@@H]2OC)c1=O 1565527348 AQLZBTBRUYSHLR-STQMWFEESA-N 294.351 0.710 0 50 CCAA COC(=O)[C@@]1(C)CCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 407960270 VJVQZRUANFRKTQ-ABAIWWIYSA-N 296.367 0.847 0 50 CCAA Cc1cc(O)nc(C(=O)N2CCS(=O)CC2)c1 408001542 GGFDECVVYIYEFH-UHFFFAOYSA-N 254.311 0.300 0 50 CCAA COc1ccccc1CN1CCN(C(=O)[C@H](C)N)CC1 167421041 DRKJVQWUBRPXKR-LBPRGKRZSA-N 277.368 0.687 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(C(N)=O)n(C)c1 276723736 DMTQDTGHMSXPCI-WPRPVWTQSA-N 265.313 0.878 0 50 CCAA CCS(=O)(=O)c1ccc(N2CC[C@H](C(N)=O)C2)cc1 170604448 GKPRLJMBMKSDQB-JTQLQIEISA-N 282.365 0.792 0 50 CCAA CCCC(=O)NCCN(CCOCCO)C(=O)CCC 585087828 VGPXNFMBJFISRD-UHFFFAOYSA-N 288.388 0.540 0 50 CCAA C[C@H]1CCC[C@@H](CNC(=O)c2ccc3c(c2)B(O)OC3)O1 585008951 ZEVHZAPUIOWMIZ-GWCFXTLKSA-N 289.140 0.592 0 50 CCAA CS(=O)(=O)CCNC(=O)N=c1[nH]sc2ccccc12 585119605 MVTRIHDPMSVDKR-UHFFFAOYSA-N 299.377 0.884 0 50 CCAA Cn1ccnc1CCN1CCN(c2ncccn2)CC1 1506417444 IUPAJJMKOGISBF-UHFFFAOYSA-N 272.356 0.575 0 50 CCAA CCn1cc(CC(=O)N[C@H]2C[C@@H](N)C23CCC3)nn1 1615555233 OTYFDWFQBRVYEW-MNOVXSKESA-N 263.345 0.227 0 50 CCAA CC1(C(=O)N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)CC1 1857694122 BMUSVHRLYWDLQZ-QMTHXVAHSA-N 266.341 0.276 0 50 CCAA CCc1cc(C(=O)N2CC[C@@](O)(CC)[C@@H](O)C2)ccn1 222272669 OAAGLCGEUMURLI-ZFWWWQNUSA-N 278.352 0.992 0 50 CCAA CC(C)N1CC[C@H](NC(=O)c2cnns2)C1=O 114656481 LSSWTXUQXFNAJH-ZETCQYMHSA-N 254.315 0.277 0 50 CCAA CCC[C@]1(CO)CCCN1C(=O)[C@H](C)NS(C)(=O)=O 331278621 AAFISZMMROIHDJ-CMPLNLGQSA-N 292.401 0.078 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)C2CC=CC2)C1 644002693 SHVYTYDROFASBN-ZDUSSCGKSA-N 252.314 0.182 0 50 CCAA COCC[C@@H](C)S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 262454934 RLPYUJTYPCCYPZ-NXEZZACHSA-N 279.358 0.538 0 50 CCAA OC[C@@]12CNC[C@H]1CN(CCCC(F)(F)F)C2 1772819011 NNDSKANZAZUTMO-UWVGGRQHSA-N 252.280 0.843 0 50 CCAA C[C@@]12C[C@H]1CN(C(=O)c1cnc(N3CCOCC3)nc1)C2 1772813068 UUMJHVBRJVXKLI-WFASDCNBSA-N 288.351 0.795 0 50 CCAA COC1(C(=O)N2CC[C@@H](O)C[C@@H]2C2CC2)CCNCC1 1772710802 PFOCYFIPOIMUHZ-CHWSQXEVSA-N 282.384 0.517 0 50 CCAA CN(C(=O)CN1C[C@@H]2CNC[C@]2(CO)C1)C1CCCCC1 1772704035 HZQSQFGNZYVTJD-XJKSGUPXSA-N 295.427 0.291 0 50 CCAA COC(=O)C1=C(O)c2sccc2S(=O)(=O)N1 19702463 QHDGDSKIUCBIGS-UHFFFAOYSA-N 261.280 0.440 0 50 CCAA Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)CC(C)(C)C3 19818786 SMVYAPTZXJUZGH-UHFFFAOYSA-N 287.319 0.787 0 50 CCAA N[C@@H]1C[C@@H](C(=O)NCCCNc2cccnc2)CC[C@H]1O 1857715357 OGAQVISYZHFWSU-IACUBPJLSA-N 292.383 0.488 0 50 CCAA NC(=O)CCn1ccc(NC(=O)[C@@H]2CCCOC2)n1 117705659 MZWMROVFKUVNJL-SECBINFHSA-N 266.301 0.124 0 50 CCAA CN(CCN(C)C1CC1)C(=O)[C@@H]1CCCS(=O)(=O)C1 328592828 FNXVAKDNFXMQFL-LLVKDONJSA-N 288.413 0.364 0 50 CCAA O=C(N1CC(n2ccnn2)C1)C1(C2CC2)CCOCC1 329736666 LPQCLBPOJHGRGS-UHFFFAOYSA-N 276.340 0.868 0 50 CCAA NC(=O)C[C@]1(O)CCCN(Cc2ncc(C3CC3)o2)C1 643807459 WCXFYKJJWNPNQH-CQSZACIVSA-N 279.340 0.754 0 50 CCAA O=C(NC1CC1)[C@H]1CCCN1c1cc(=O)n2ccccc2n1 134896248 VXJYIXRNBCLRJQ-GFCCVEGCSA-N 298.346 0.942 0 50 CCAA CNC(=O)c1ccc(C(=O)NC[C@@H]2CCCO2)cn1 264157846 SZFGMRBZTQERQC-JTQLQIEISA-N 263.297 0.350 0 50 CCAA Cn1ccc(C(=O)N[C@@H](CC(=O)O)C(F)(F)F)cc1=O 829362111 HVXFOJGKZQGAQJ-ZETCQYMHSA-N 292.213 0.521 0 50 CCAA CO[C@@H]1C[C@H]1C(=O)NCc1nnc2n1CCCC2 1291575537 RLEAUUJWTYOCCW-RKDXNWHRSA-N 250.302 0.266 0 50 CCAA CC1(C)CNC(=O)[C@H]1N[C@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32 952965245 ZVQKDYNKFBGDSN-XZPZHEHLSA-N 250.342 0.524 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)[C@@]12COC[C@@H]1C2 1875268312 RGASVKRBSFMHSL-CPCISQLKSA-N 251.311 0.812 0 50 CCAA Cn1cc(N2C[C@H](NC(=O)c3ccsn3)CC2=O)cn1 1875285975 IXUVQWNXQZLXTB-MRVPVSSYSA-N 291.336 0.412 0 50 CCAA CN(C)C/C=C/C(=O)NC1(C(N)=O)Cc2ccccc2C1 1875375902 UHQYPECUTQPFFD-VMPITWQZSA-N 287.363 0.243 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC(O)(C2CC2)CC1 1875367083 ATXXRAJMHGFASL-UHFFFAOYSA-N 280.368 0.784 0 50 CCAA C=CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C 1875371116 PIBLVRCCMBPJKY-SNVBAGLBSA-N 281.356 0.194 0 50 CCAA CNc1cnc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)cn1 886995428 KUMOBRCTPBCYDJ-GHMZBOCLSA-N 292.339 0.178 0 50 CCAA O=C(O)CCCNC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 263501343 VOOMSVIANRTZJE-ZJUUUORDSA-N 283.328 0.304 0 50 CCAA O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cn[nH]c1 40445330 RAHKJJZMSRNTEX-NSHDSACASA-N 272.312 0.599 0 50 CCAA CCNc1nc(C(=O)N2CC(=O)N(C)[C@H](C)C2)cs1 282323179 WDZOTPXDCGESOR-MRVPVSSYSA-N 282.369 0.878 0 50 CCAA CCNCc1cn(Cc2nsc(N(C)C)n2)nn1 641086215 USZOBDJCSKNBRW-UHFFFAOYSA-N 267.362 0.353 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1cc[nH]c(=N)c1 643878257 NNJXNKIXBIPQNR-CYBMUJFWSA-N 265.313 0.560 0 50 CCAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)CN2CCCC2=O)C1 379219854 PMWNTFWDPFOURZ-RKDXNWHRSA-N 293.289 0.489 0 50 CCAA O=C(CCCn1cncn1)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100556947 LCDWCYKWCLROBX-XYYAHUGASA-N 278.356 0.820 0 50 CCAA Cc1nc(O)c(C)c(NC[C@H](O)COCC2CC2)n1 2325802027 CDKWVUGNPCPVFN-NSHDSACASA-N 267.329 0.998 0 50 CCAA Cn1c(O)c(C(=O)c2ccccc2)c(=O)n(C)c1=O 3958016 URMZQZMLUFUHBT-UHFFFAOYSA-N 260.249 0.021 0 50 CCAA biogenic Cc1cc(N2CC[C@H](N[C@H](C)[C@H]3CCCO3)C2=O)n(C)n1 248485359 KPXORUPPROKSSE-FRRDWIJNSA-N 292.383 0.991 0 50 CCAA CO[C@@H](CNC(=O)c1cc(C)cc(F)c1)C(=O)O 227263116 DUFCJFHJKBJVKM-JTQLQIEISA-N 255.245 0.964 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(C)nc1O 344830401 BAZIAWOXYQUGAO-WDEREUQCSA-N 280.324 0.972 0 50 CCAA C[C@H](C(=O)N1CCC[C@H]1[C@H]1CCCN1C)N1CCOCC1 248137182 PDTVFOFNSOUGCV-KFWWJZLASA-N 295.427 0.792 0 50 CCAA COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1O 65397427 KVIWMAYIBZTNLV-ZETCQYMHSA-N 251.238 0.838 0 50 CCAA O=c1ccn(CCc2nc(Cc3ccccc3)n[nH]2)c(=O)[nH]1 65525940 AYYZHAORSARKHX-UHFFFAOYSA-N 297.318 0.488 0 50 CCAA CCn1cnnc1[C@@H]1CN([C@H]2CCCC[C@@H]2O)CCO1 328631526 KNQGXCUGMKKWSD-AVGNSLFASA-N 280.372 0.975 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@H]2C[C@@H](O)C2(C)C)c[nH]1 230956273 NTUOCLYHSIVDOU-WDEREUQCSA-N 250.298 0.573 0 50 CCAA Cc1nonc1CC(=O)NCc1nnnn1-c1ccccc1 215620154 JPLDVYYCDGDKGJ-UHFFFAOYSA-N 299.294 0.213 0 50 CCAA CCC[C@H](CC)[S@](=O)CCCS(N)(=O)=O 359404186 FSSVPMMGBPQKMO-LKFCYVNXSA-N 255.405 0.992 0 50 CCAA CC1(C)NCC[C@@H]1NC(=O)[C@@H]1CC12CCNCC2 335347295 YEIQCQZGTWGOKD-QWRGUYRKSA-N 251.374 0.633 0 50 CCAA COc1ccccc1CCC(=O)N[C@@H](C)c1nc(=O)[nH][nH]1 215763850 MYCOBKMWGYXNFS-VIFPVBQESA-N 290.323 0.917 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)CCc1nccs1 262493562 MIVSZVHHQLTPJF-MRVPVSSYSA-N 270.310 0.388 0 50 CCAA CC1(C)COCCN1CCNC(=O)N1CC[C@H](CO)C1 172486900 ZQSJWYWGWVWNET-LBPRGKRZSA-N 285.388 0.121 0 50 CCAA O=C(Cc1ccsc1)NC[C@H]1CCS(=O)(=O)C1 44717671 LNZFWJCPWHGFPN-SNVBAGLBSA-N 273.379 0.842 0 50 CCAA Cc1cc(CN(C)C(=O)N[C@@H](CC(=O)O)C(=O)O)ccn1 426409546 VGAGXLVFEUXBLY-JTQLQIEISA-N 295.295 0.459 0 50 CCAA Cn1c(CCN)nnc1SC[C@@H]1CCC[C@H](N)C1 426479737 MFEKOMPFFCJRFV-ZJUUUORDSA-N 269.418 0.926 0 50 CCAA CC[C@H]1CN2CCC[C@@H]2CN1C(=O)CCc1cn(C)nn1 611694809 CMXVZZFFNMBFFP-UONOGXRCSA-N 291.399 0.833 0 50 CCAA Cc1nccc(N2C[C@H](CO)[C@H](CN3CCCC3)C2)n1 91595858 BVPUNTLDFDZSFR-ZIAGYGMSSA-N 276.384 0.926 0 50 CCAA Cc1n[nH]c(C)c1CN1C[C@H](C(C)C)[C@@H](NC(=O)CO)C1 91625635 QFESVPLDZWLMLT-OCCSQVGLSA-N 294.399 0.591 0 50 CCAA C[C@H](C(=O)NCCCc1nn[nH]n1)n1cc(Cl)cn1 426510609 JFJCFXWOLWBLKO-SSDOTTSWSA-N 283.723 0.360 0 50 CCAA O=C1CCC(CCc2nc([C@H]3CCOC3)no2)=NN1 96131505 OHXMLWZJENWEPJ-QMMMGPOBSA-N 264.285 0.772 0 50 CCAA COCc1noc(Cn2c(=O)[nH]c3ccccc32)n1 95517794 IUVATYLLYYZNJJ-UHFFFAOYSA-N 260.253 0.907 0 50 CCAA COCCN(C)C(=O)c1cnc(N(C)C)nc1C 95368161 KPFSBXQVEMELPO-UHFFFAOYSA-N 252.318 0.569 0 50 CCAA COc1ccc2c(c1)OCC(C(=O)NCC(=O)O)=C2 299751485 QQPMRDCYEZEMEH-UHFFFAOYSA-N 263.249 0.672 0 50 CCAA CCN(C)C[C@H](C)C(=O)NCc1cccnc1N 534676226 FUYDYHHGBLFVJA-JTQLQIEISA-N 250.346 0.868 0 50 CCAA NCc1nnc(SC[C@@H](O)CO)n1Cc1ccccc1 534661879 OTTCPIFFDODYRG-NSHDSACASA-N 294.380 0.230 0 50 CCAA Cc1nc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)c[nH]1 299789656 ZHBGMOGSYHDJHY-QWHCGFSZSA-N 274.328 0.655 0 50 CCAA CC(C)[C@H](NC(=O)CN1CCCC1=O)c1ncnn1C 299770344 QDMHHKZYHJNYKY-LBPRGKRZSA-N 279.344 0.251 0 50 CCAA CC(C)N1CCC[C@@H]1CNC(=O)c1cncnc1O 821746051 OZDIULFJDVXJRP-SNVBAGLBSA-N 264.329 0.785 0 50 CCAA Cc1cc(C)c(CCNC(=O)NC[C@@H](O)CO)c(C)c1 584900646 WMNFJLYHTDOKDL-CYBMUJFWSA-N 280.368 0.807 0 50 CCAA Nc1nc(C(=O)NCCCN2CCCC[C@H]2CO)cs1 584891776 DWEJKIQWLIRBLJ-JTQLQIEISA-N 298.412 0.692 0 50 CCAA CC1(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)COC1 1550818064 XBZWWEIEAVYPOZ-UHFFFAOYSA-N 287.381 0.593 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)c2cncnc2)C1 958528930 YTHZBEMGBJJWCP-RISCZKNCSA-N 294.355 0.848 0 50 CCAA C[C@@](O)(CO)C(=O)N1CCOC2(CCCCC2)C1 408524078 XKQDZLLRMBJORO-GFCCVEGCSA-N 257.330 0.291 0 50 CCAA Cc1ccc(CN2CCO[C@H](Cn3ccnn3)C2)nc1 639855181 AEMQVQCZLPATRQ-AWEZNQCLSA-N 273.340 0.883 0 50 CCAA CN(CC(=O)NC1CC1)C(=O)c1ccc2ccncc2n1 582660550 IDOOMHOEUSLNRM-UHFFFAOYSA-N 284.319 0.980 0 50 CCAA CCCNS(=O)(=O)NC/C=C/c1cccnc1 585114888 DHSVOCJRVLUOQF-GQCTYLIASA-N 255.343 0.929 0 50 CCAA CN(C)c1nccc(CN[C@@H](C(N)=O)C(C)(C)C)n1 195573548 YDHGGHKLFGRLIK-JTQLQIEISA-N 265.361 0.532 0 50 CCAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCNC(=O)CC1 1615590168 JUKZRBBHGFSOEN-TZMCWYRMSA-N 288.351 0.143 0 50 CCAA Cc1cc(C)c(CC(=O)N2C[C@@H]3CC[C@]3(N)C2)c(O)n1 1615544867 BAFKHXXVOTWKAM-NHYWBVRUSA-N 275.352 0.896 0 50 CCAA O=C(Cc1cncnc1)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 1601371940 IIDGYRXUYRGPRI-NRUUGDAUSA-N 261.281 0.389 0 50 CCAA CN1N=C(C(=O)N2CCC[C@@H]2C2(O)CC2)CCC1=O 1772808919 FULKECGUMLJIEV-SNVBAGLBSA-N 265.313 0.111 0 50 CCAA Cc1cc(=O)cc(C(=O)N(C)CC(C)(C)CO)[nH]1 1506424954 NGDLDOWLQMOVEX-UHFFFAOYSA-N 252.314 0.774 0 50 CCAA COCC(=O)N1C[C@H](c2ccccc2OC)[C@@H](C(=O)O)C1 216921091 KSDKHNONJQIAPO-NEPJUHHUSA-N 293.319 0.968 0 50 CCAA COc1ccc(F)cc1C(=O)N[C@H]1CCNC[C@@H]1O 211942057 HQOYAJZZXQZGQB-QWRGUYRKSA-N 268.288 0.287 0 50 CCAA CC(C)(O)CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529100024 MQUSABQLECSXPG-OLZOCXBDSA-N 292.335 0.130 0 50 CCAA Cn1cc(C(=O)NCc2cccn3nccc23)ccc1=O 1772816959 ZOXHSKUXAOROQK-UHFFFAOYSA-N 282.303 0.963 0 50 CCAA O=C(c1onc2ncccc12)N1CCS(=O)(=O)CC1 1775979275 SFGMXSHHRBHTSU-UHFFFAOYSA-N 281.293 0.093 0 50 CCAA O=C(Cc1cccnc1)N1CCC([C@H](O)CO)CC1 1772811968 CQIVHHMZXRPLSV-CYBMUJFWSA-N 264.325 0.216 0 50 CCAA O=C(CCN1CCN(CCO)CC1)Nc1cccc(F)c1 19293958 KVBCHVKAFGXKAK-UHFFFAOYSA-N 295.358 0.764 0 50 CCAA CN(C)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 19583717 VSKKKUYRWHGHGR-UHFFFAOYSA-N 283.397 0.611 0 50 CCAA Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C(=O)N3)c2c(C)noc2n1 1857711392 WWDCYXKPHHQGRR-WPRPVWTQSA-N 286.291 0.553 0 50 CCAA COCCN1CC[C@H](Cn2cnc3cc[nH]c3c2=O)C1 1857725567 CSEDXDWEFSGDGO-NSHDSACASA-N 276.340 0.693 0 50 CCAA Cc1nc2nc(NC(=O)C3CCOCC3)[nH]n2c(=O)c1C 1875242944 IYYADCBHGWGVSR-UHFFFAOYSA-N 291.311 0.400 0 50 CCAA Cc1nc2nc(C)c(NC(=O)c3cc(C)on3)c(=O)n2[nH]1 1875247920 UWVTZJQSOGMSBS-UHFFFAOYSA-N 288.267 0.583 0 50 CCAA O=C([C@@H]1[C@H]2CCCC[C@H]21)N(CCO)CCN1CCOCC1 245338957 PQFXTEKRBJGRHS-FICVDOATSA-N 296.411 0.576 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1occ2c1CCOC2 909055440 FPJILAFWNRVUMO-JTQLQIEISA-N 281.264 0.278 0 50 CCAA c1nnnn1CCN1CC[C@H](n2cc(C3CC3)nn2)C1 931124649 AOLXSTZDNCSMMN-NSHDSACASA-N 274.332 0.089 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@H](n2ccnc2)C1 859181956 ZMPCRJJOXGNZLZ-LBPRGKRZSA-N 276.340 0.691 0 50 CCAA O=C(c1c(O)cccc1F)N1CC[C@@H](Cc2nn[nH]n2)C1 1875285965 IPWFEEXZPZAKRC-QMMMGPOBSA-N 291.286 0.749 0 50 CCAA Cc1cc(CN(CCN)CCN)nn1-c1ccccc1 1875345206 VSERORKEUDSAJV-UHFFFAOYSA-N 273.384 0.900 0 50 CCAA O=C(O)c1cc(CN=c2[nH]cnc3cc[nH]c23)[nH]n1 1875333152 FFYZLERDSOUTNG-UHFFFAOYSA-N 258.241 0.413 0 50 CCAA C[C@@H]1CO[C@@H](CN(C)C(=O)[C@@H](O)Cc2cn(C)cn2)C1 1875323718 QCRMCDWTRQWUTI-UHTWSYAYSA-N 281.356 0.207 0 50 CCAA COc1cc(C(=O)N2C[C@H](N)C3(CCC3)C2)ncn1 1775962199 YSINPBBKLTYBRM-JTQLQIEISA-N 262.313 0.439 0 50 CCAA COC(=O)c1cnc(N2C[C@@H](C)N(C)C[C@H]2C)nc1 408106709 ZGKQQDOPRUCFKT-NXEZZACHSA-N 264.329 0.792 0 50 CCAA N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 328595733 CUYZXPOHTQCGSC-RNJOBUHISA-N 268.357 0.520 0 50 CCAA Cc1cncc(C(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)c1 584894143 CNGZPEMPEDADSA-CRWXNKLISA-N 276.336 0.594 0 50 CCAA CN(Cc1ccccc1)S(=O)(=O)N1C[C@@H](O)[C@H](F)C1 952990420 UEVDDYABVIVPEN-VXGBXAGGSA-N 288.344 0.378 0 50 CCAA O=C(O)[C@@]12COC[C@@H]1CN(Cc1cccc(O)c1)C2 1549338940 PXOBTXSMINVZAL-FZMZJTMJSA-N 263.293 0.925 0 50 CCAA CC(C)(C)n1nnc(C(=O)NN2CCCCC2=O)n1 2325757101 SSIAPVKNRNHNBM-UHFFFAOYSA-N 266.305 0.085 0 50 CCAA COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 261970 VKGCEHUYFUTXRF-UHFFFAOYSA-N 283.280 0.615 0 50 CCAA biogenic COC[C@@]12COC[C@@H]1CN(c1nc(=N)[nH]c(C)c1Cl)C2 2356140429 ISPXWDULXSHRNG-ZANVPECISA-N 298.774 0.950 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)C1[C@H]2CCCC[C@H]12 224780298 BNPAZONSIXUGTQ-GUBZILKMSA-N 253.298 0.735 0 50 CCAA CN1CCN2C[C@@H](NC(=O)c3nc4ccccc4[nH]3)C[C@H]2C1 67840814 YDEUSYAPRKLHOB-RYUDHWBXSA-N 299.378 0.681 0 50 CCAA O=C([C@H](c1ccccc1)n1cnnn1)N1CCCO1 20819200 PTSVYIQEWNTSKM-NSHDSACASA-N 259.269 0.426 0 50 CCAA O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NC1CC1 409413877 VFRZITWUCPPCID-SNVBAGLBSA-N 277.280 0.369 0 50 CCAA CCOC[C@@H](O)CNc1cc(C)nc2ccnn12 72434343 BYIBQUXIIGMZAT-JTQLQIEISA-N 250.302 0.847 0 50 CCAA CN(CC1CC1)C[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 328628479 HHWNWLVHBJMYFA-CYBMUJFWSA-N 278.356 0.593 0 50 CCAA O=C1C[C@@H](C(=O)N2CCCN(C3CCCC3)CC2)CN1 172418891 DQOUIVXCKNQFRF-GFCCVEGCSA-N 279.384 0.599 0 50 CCAA CC[C@@H](C)N1CCN(C(=O)CC[C@H]2CCC(=O)N2)CC1 333961547 LZTMXUFFINNMIG-CHWSQXEVSA-N 281.400 0.988 0 50 CCAA Cc1nnc(C(=O)N[C@@H]2CCC(=O)NC2(C)C)s1 339105860 DYZYYGOVCLGXKZ-SSDOTTSWSA-N 268.342 0.634 0 50 CCAA CCN(C(=O)CCc1cccnc1)[C@H]1COC[C@@H]1O 223428789 KCDLKWWBDBMSJO-STQMWFEESA-N 264.325 0.622 0 50 CCAA CN1CCCN(c2cc([C@@H]3CCOC3)nc(N)n2)CC1 426382806 RXTCLWWPUFRAFK-LLVKDONJSA-N 277.372 0.705 0 50 CCAA CCC[C@H](NC(C)=O)C(=O)NCCn1cnc(C)c1C 221281694 MPOVZSMBSAZEIC-ZDUSSCGKSA-N 280.372 0.921 0 50 CCAA COC[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)CC(C)(C)O1 285513032 NXGXKIVZOCECIY-JTQLQIEISA-N 296.323 0.645 0 50 CCAA CC(C)NC1CCN(c2ccc(C(N)=O)nn2)CC1 608752910 PTYACWRRTHSMRK-UHFFFAOYSA-N 263.345 0.542 0 50 CCAA Nc1nc(=NCc2nccs2)cc([C@H]2CCOC2)[nH]1 426722721 VZLIIUJYDJJZKJ-QMMMGPOBSA-N 277.353 1.053 0 50 CCAA Cc1ncc(S(C)(=O)=O)c(NC[C@@H]2CCCO2)n1 95377872 ZPRVSEAOCUMNSJ-VIFPVBQESA-N 271.342 0.779 0 50 CCAA CCc1csc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 426582738 DHOIMSKKJOLKMW-MRVPVSSYSA-N 288.394 0.756 0 50 CCAA CN(C)[C@H](C(=O)N1CC(O)C1)c1ccc(F)cc1 95359740 QESBKWBLBMLDRZ-LBPRGKRZSA-N 252.289 0.632 0 50 CCAA CC(C)(C)NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@H]31)[C@@H]2O 238881909 BLAZTYWQGVOJKT-BHQVJMJVSA-N 253.298 0.070 0 50 CCAA CN1CCC[C@@H](CCC(=O)NCCc2cc(=O)[nH]cn2)C1 91625898 UXYUZYJWBNRDSS-LBPRGKRZSA-N 292.383 0.551 0 50 CCAA O=C1C[C@H](N2CCOCC2)C(=O)N1c1ccc(F)c(F)c1 96301188 CATARTWNQOBCHT-LBPRGKRZSA-N 296.273 0.929 0 50 CCAA CC(C)CS(=O)(=O)CCNC(=O)c1ccon1 97213092 PWTPKKXRMXXDMT-UHFFFAOYSA-N 260.315 0.475 0 50 CCAA CN(C(=O)c1cccnc1-n1cccn1)[C@@H]1CCNC1 179108435 YHPBDBFQKRBLKU-LLVKDONJSA-N 271.324 0.701 0 50 CCAA O[C@H]1C[C@H]([C@@H](NC2CCOCC2)C2CCNCC2)C1 244574790 CRLLCFQQLQXTOB-QEJZJMRPSA-N 268.401 0.894 0 50 CCAA Cc1csc(CN2CCC([C@@H](O)C(N)=O)CC2)n1 299745588 RFXIMXBLIOBNQU-LLVKDONJSA-N 269.370 0.510 0 50 CCAA O=C(NCc1noc(-c2cccs2)n1)[C@@H]1C=CCN1 534635537 PPVKOVKDLOSHMN-QMMMGPOBSA-N 276.321 0.942 0 50 CCAA CN1CCO[C@@H](CNC2CSCCSC2)C1 534664769 SCHITHAWKLKMPI-NSHDSACASA-N 262.444 0.755 0 50 CCAA COCC1(CNC(=O)[C@@H](C)N2CCN(C)CC2)CCCC1 456848142 AFCZCWBEFWXJOH-CQSZACIVSA-N 297.443 0.945 0 50 CCAA O=C(NCCc1cn[nH]c1)[C@@H]1CCCCN1C(=O)C1CC1 299758285 NZBLSNIOVAQLDI-ZDUSSCGKSA-N 290.367 0.860 0 50 CCAA CN(CCN1CCCCC1)c1cncc(C(N)=O)n1 651477565 CKMZSSLHJMJSME-UHFFFAOYSA-N 263.345 0.498 0 50 CCAA Cc1ccoc1C(=O)NCCc1nc(N)cc(O)n1 584892089 QAYFTBPAZDVZQS-UHFFFAOYSA-N 262.269 0.638 0 50 CCAA CCN1CCCC[C@H]1CNC(=O)c1cncc(=O)[nH]1 584896861 VVSHFRNNPXWNFJ-JTQLQIEISA-N 264.329 0.374 0 50 CCAA CC[C@H](CNC(=O)N(C)CCn1ccnc1)N(C)C 584895959 KRJIHFVYKVGTDN-GFCCVEGCSA-N 267.377 0.865 0 50 CCAA CN1CCN(C(=O)Cc2ccsc2)C[C@H]1CCO 584893770 SBZFAVANBAMVQA-GFCCVEGCSA-N 268.382 0.816 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NCCc1nc(N)cc(O)n1 670456851 QSSWQAVOTFIQFR-UHFFFAOYSA-N 290.327 0.006 0 50 CCAA Cc1cc(C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)cnn1 1339029850 PPAYFIXGCAGJNR-FDYHWXHSSA-N 257.293 0.810 0 50 CCAA CC(=O)N1CCCN(c2nnnn2CCC2CC2)CC1 952879087 MXRDHIYQUAEFSH-UHFFFAOYSA-N 278.360 0.532 0 50 CCAA O=C1CC[C@H](N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1 90651047 MPQLCQKBYRSPNA-VIFPVBQESA-N 276.223 0.227 0 50 CCAA CC[C@@H](COC)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 275428725 FDXOLVAUFFGSNU-QWHCGFSZSA-N 294.399 0.764 0 50 CCAA O=C(C[C@@H]1CCNC1)N1CCN(CC2CCOCC2)CC1 190158880 LTVRWXGWUZKOIH-HNNXBMFYSA-N 295.427 0.557 0 50 CCAA CNC(=O)[C@H](C)NC(=O)c1ccc2cncn2c1C 1319989880 TVPXAISKCGOACS-QMMMGPOBSA-N 260.297 0.507 0 50 CCAA COc1nn(C)cc1CNC(=O)[C@@H]1C[C@@H]2C[C@H](N)[C@@H]2C1 1615554533 LQKZPMCYDJNMQJ-IQIPOGNMSA-N 278.356 0.418 0 50 CCAA Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccc(F)cc1 119658 XGTXAFCNQHJVMK-UHFFFAOYSA-N 274.255 0.611 0 50 CCAA COc1cccc(C(=O)N2CCC[C@@](O)(CO)C2)c1O 215424138 JIRPHABUCTZKBD-AWEZNQCLSA-N 281.308 0.360 0 50 CCAA Cc1nc(N)nc(NCCN2CCNCC2)c1Cl 1529159884 UDYCWIVFHUDPJF-UHFFFAOYSA-N 270.768 0.338 0 50 CCAA CCN1C[C@H](CN(C)c2nc(C)cc(C(=O)O)n2)CC1=O 1529167299 IRPIVRPEINSEQB-JTQLQIEISA-N 292.339 0.788 0 50 CCAA CCn1ncc(NC(=O)CN(C)CCOC)c1C 1529100476 VDGWPUWYBMFTHI-UHFFFAOYSA-N 254.334 0.728 0 50 CCAA CN1CC[C@@H]2CN(c3ncccc3C(N)=O)C[C@@H]2C1=O 1800408611 FEANYXXVXFLXHD-KOLCDFICSA-N 274.324 0.095 0 50 CCAA Cc1nc([C@@H]2CCOC2)sc1C(=O)N(C)CCN 638343877 PUOCQRAKRKBQEY-SECBINFHSA-N 269.370 0.986 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccco1 643945585 JJYWSLFWJXPRIH-GFCCVEGCSA-N 252.270 0.386 0 50 CCAA N[C@H]1CCC[C@@H](CN2C[C@H]3[C@H](C2)C3(CO)CO)C1 1772703118 CHAZOWRHKPWVHO-VOAKCMCISA-N 254.374 0.037 0 50 CCAA COCCN1C[C@@H](C(=O)NCCCSC)CCC1=O 12023506 LMVBDHGGETZUIU-NSHDSACASA-N 288.413 0.741 0 50 CCAA C=CC(=O)NCCC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 163991089 HSRIIRYEDIMDHV-SNVBAGLBSA-N 281.356 0.194 0 50 CCAA COC(=O)c1ccc(CNC(=O)[C@]2(F)CCNC2)s1 831742044 SZVBLJFRHLENCC-LBPRGKRZSA-N 286.328 0.853 0 50 CCAA CCO[C@@H]1C[C@H](N(C)C(=O)C2(N)CC(O)C2)C1(C)C 952882028 FTLPFPQQBIIQDK-DUEVMTECSA-N 270.373 0.501 0 50 CCAA CCCCNC(=O)Nc1ccc(S(C)(=O)=O)nn1 952883881 SMGOPFZOKXRPKX-UHFFFAOYSA-N 272.330 0.802 0 50 CCAA O=C(Cn1cnc2ccccc21)NO[C@H]1CCOC1 1875259426 NGCKXYBCFPUOLI-JTQLQIEISA-N 261.281 0.873 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)N3C)n1 1875316122 WGIUPUZKLRYJNA-CLLJXQQHSA-N 291.399 0.905 0 50 CCAA C=CC(=O)N(C)CC(=O)N1C[C@@H](C(=O)OC)C2(CCC2)C1 1875366289 ONIQTHQWLBAHEU-NSHDSACASA-N 294.351 0.433 0 50 CCAA CNC(=O)[C@@H](O)CNc1ccc2ccc(OC)cc2n1 893477833 AYBDVCAGLZIZRY-LBPRGKRZSA-N 275.308 0.762 0 50 CCAA Cc1ncc(S(=O)(=O)N[C@H]2CNCC[C@@H]2C)s1 262740041 BUBWPENVCVNITF-CBAPKCEASA-N 275.399 0.728 0 50 CCAA CNC1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 178951203 YPKFYYCFZCPMDX-LBPRGKRZSA-N 276.402 0.569 0 50 CCAA CS(=O)(=O)c1ccc(N(CCCO)C2CC2)nc1 404389370 WWTHAVBOWRVJFI-UHFFFAOYSA-N 270.354 0.836 0 50 CCAA COCC1(O)CN(S(=O)(=O)CC2CCCC2)C1 333082132 MGUJSQHENIURTO-UHFFFAOYSA-N 263.359 0.200 0 50 CCAA CC(C)(CCC(=O)N1CC=C[C@H]1C(=O)O)N1CCOCC1 2325803099 PXVGDTRMJBPFCZ-LBPRGKRZSA-N 296.367 0.729 0 50 CCAA N=c1nc(N2CC[C@@H]3CC[C@H](O)[C@@H]32)nc2[nH][nH]cc1-2 2325879062 GIMIRTRMPMDKSX-CNUIFLNQSA-N 260.301 0.067 0 50 CCAA CC[C@H](C)n1c(OC)nc2c1c(=O)n(C)c(=O)n2C 349963 SSLYNUMMTSOBAM-ZETCQYMHSA-N 266.301 0.413 0 50 CCAA Cn1c(NC(=O)c2cccc(F)c2)cc(=O)n(C)c1=O 2711233 OFEDVHXJFZPFQJ-UHFFFAOYSA-N 277.255 0.475 0 50 CCAA O=C(NCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 4110827 MLHDOYGWKMPCSI-LLVKDONJSA-N 268.338 0.673 0 50 CCAA CCn1cc(CN[C@H](C)CN2CCOCC2)cn1 50539704 GSUDWJKNLDYVQN-GFCCVEGCSA-N 252.362 0.713 0 50 CCAA C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1C[C@H]1C 247542322 DDGLGMDQIUESDS-IJLUTSLNSA-N 254.378 0.330 0 50 CCAA Cc1csc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 68375489 OBDUUQKEABIQPJ-MRVPVSSYSA-N 274.367 0.502 0 50 CCAA O=C(NCCN1CCOCC1)NC(=O)c1ccccc1 20513049 YVODZABOEBZULO-UHFFFAOYSA-N 277.324 0.458 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)C(=O)N(C)c1ccccc1 67967840 SKNBDQNWVXNKBW-STQMWFEESA-N 292.335 0.570 0 50 CCAA CC(C)(C)OC(=O)N1CC(n2cc(CN)nn2)C1 409426513 QOLBDEAYVPNJBI-UHFFFAOYSA-N 253.306 0.529 0 50 CCAA C[C@@H](CCC(=O)NCCc1cn[nH]c1)N1CCN(C)CC1 219094807 QZWUHVUNYFMHCF-ZDUSSCGKSA-N 293.415 0.485 0 50 CCAA Cc1csc(-c2noc(Cn3ncn(C)c3=O)n2)n1 329644864 DHTLKEZJNKTQLD-UHFFFAOYSA-N 278.297 0.445 0 50 CCAA CC[C@@H](NC(=O)c1cnc(N)nc1C)c1nc(C)no1 219880867 SOZUWOVCYXSCGS-SECBINFHSA-N 276.300 0.940 0 50 CCAA Cc1cc(=O)c(CO)nn1Cc1ccn(C(C)C)n1 330119399 ZUDWLHGLPCJACZ-UHFFFAOYSA-N 262.313 0.870 0 50 CCAA CCO[C@@H](C)c1nccn1CCS(=O)(=O)N(C)C 330564255 FETYCWXPEUZSQX-JTQLQIEISA-N 275.374 0.872 0 50 CCAA Cc1c([C@H](C)NS(=O)(=O)c2ccnn2C)cnn1C 330928998 YADNWMDUGCGJAG-QMMMGPOBSA-N 283.357 0.502 0 50 CCAA CCCN1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 35800898 YEGSINIBIODSCL-UHFFFAOYSA-N 286.401 0.445 0 50 CCAA CO[C@H]1C[C@@H](N(C)C(=O)CS(=O)(=O)C2CC2)C1 333696575 NHAJGQLWWVPPLN-DTORHVGOSA-N 261.343 0.199 0 50 CCAA CCCc1cc(C(=O)NCC(=O)NC(C)C)n(C)n1 82170762 WOBSVLUQPKJSRA-UHFFFAOYSA-N 266.345 0.627 0 50 CCAA CC(C)n1ccc(C(=O)N[C@H](C)c2nc(N)n[nH]2)n1 426485995 SFDYMMGWDNCZIR-SSDOTTSWSA-N 263.305 0.655 0 50 CCAA O=C1N[C@@H](c2ccccc2)C(=O)N[C@H]1Cc1cnc[nH]1 197349526 UTPIORSUTVHMFE-RYUDHWBXSA-N 270.292 0.308 0 50 CCAA Cc1cc(C)n(CCNC(=O)C[C@H]2CCCOC2)c(=O)n1 426697569 QXKHDVKNFOIJEM-CYBMUJFWSA-N 293.367 0.793 0 50 CCAA O=C(Cn1cnnn1)NCc1ccccc1-n1ccnc1 91212045 GSHDEOOTSMVIDM-UHFFFAOYSA-N 283.295 0.175 0 50 CCAA CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N1CCCO[C@@H]13 239038614 DNPZPPHKBCNQCS-MLNQONBDSA-N 279.292 0.078 0 50 CCAA Cc1cccc(-n2nc(CC(N)=O)nc2CN(C)C)c1C 95504569 IJBFKLFIRSJEAB-UHFFFAOYSA-N 287.367 0.974 0 50 CCAA CNC(=O)[C@H](C)NC(=O)c1cn(Cc2cccs2)nn1 293668042 MCNQDQXNIVJEHL-QMMMGPOBSA-N 293.352 0.252 0 50 CCAA Cn1cnnc1CCC(=O)NCC[C@H]1CCCOC1 534644101 QBAYLFAQHMKTER-LLVKDONJSA-N 266.345 0.681 0 50 CCAA O=C([C@H]1C=CCN1)N1CCC(Oc2cccnc2)CC1 534660475 IXMNRVSALCEDOV-CQSZACIVSA-N 273.336 0.979 0 50 CCAA C[C@H]1CN(c2ncnc(N)c2Cl)CC[S@](=O)C1 277758742 KFBPVOMZAYDVLX-SKLCBMLGSA-N 274.777 0.917 0 50 CCAA O=C(Nc1cc(F)cc(F)c1F)N[C@@H]1CNCC[C@H]1O 299765788 BARUUAOUVMCDBN-NXEZZACHSA-N 289.257 0.948 0 50 CCAA c1nc(NCCc2nnn[nH]2)cc([C@@H]2CCOC2)n1 299789060 VISAYQYETVGNGQ-MRVPVSSYSA-N 261.289 0.148 0 50 CCAA O=C(O)C[C@H]1CN(Cc2ncc[nH]2)C[C@H]1c1c[nH]nn1 299775533 KFUPQRBWCWGLDL-DTWKUNHWSA-N 276.300 0.218 0 50 CCAA CSc1ncc(CNC(=O)CN2CCCC2=O)n1C 824959650 TWTRHWNLWRLCSN-UHFFFAOYSA-N 282.369 0.381 0 50 CCAA Cc1[nH]nc(CCC(=O)NCc2nc(O)n[nH]2)c1C 828032528 ZXYQWJPWSBOHBB-UHFFFAOYSA-N 264.289 0.099 0 50 CCAA Cc1cc(C(F)(F)F)nc(CNS(=O)(=O)N(C)C)n1 825264421 GTVNVQWXQHRASB-UHFFFAOYSA-N 298.290 0.700 0 50 CCAA Cc1nn[nH]c1C(=O)NCc1nc(C(C)C)no1 584892005 AFCYMEPONMAWFX-UHFFFAOYSA-N 250.262 0.550 0 50 CCAA CSCC(=O)NCCCN1CCCC[C@H]1CO 670443012 OELPWBDSOXCUJB-NSHDSACASA-N 260.403 0.703 0 50 CCAA O=C(N[C@@H]1CNCC[C@H]1CO)OCc1ccccc1 584904629 PPUYMKVLQPLGDY-QWHCGFSZSA-N 264.325 0.883 0 50 CCAA Cn1cc(CCC(=O)NCCN2CCCC[C@H]2CO)cn1 670452210 HNKJIVKNBQUMEE-AWEZNQCLSA-N 294.399 0.316 0 50 CCAA C[C@H]1[C@@H](O)CCN1C(=O)[C@H]1CCc2nncn2CC1 1556631391 IDZRGUKHZLRKAJ-DCAQKATOSA-N 264.329 0.212 0 50 CCAA C[C@@H](CN(C)CCO)NCc1cn2c(n1)SCC2 952980149 YFUIGDZWPRTRPA-JTQLQIEISA-N 270.402 0.391 0 50 CCAA CCn1cnnc1CCNC(=O)/C=C/c1cnc(N)nc1 952868904 FCGCLUZBDDAWJW-ONEGZZNKSA-N 287.327 0.042 0 50 CCAA Cc1nc2n(n1)CCN(C(=O)[C@@H]1CCCO[C@H]1C)C2 408330121 QAUKTDFZRGEKGU-GXSJLCMTSA-N 264.329 0.744 0 50 CCAA Cc1cc(C)n(CCCC(=O)N2CCOC[C@@H](CO)C2)n1 77439582 KNDNIELNMBLDTH-CQSZACIVSA-N 295.383 0.747 0 50 CCAA CCCCN1CCOC[C@H]1C(=O)N1CCC[C@@H](O)CC1 408177020 ICWZSGSOOWZMMQ-KGLIPLIRSA-N 284.400 0.861 0 50 CCAA CO[C@H](C(=O)Nc1ncn(CC(=O)O)n1)C1CCC1 663337387 WCGKYYWGBLJCDH-VIFPVBQESA-N 268.273 0.116 0 50 CCAA CCn1cc(CN2CCC[C@@H](O)[C@@H]2C(=O)OC)cn1 188790367 YXIIZRLBNYDJNX-VXGBXAGGSA-N 267.329 0.401 0 50 CCAA C=CC(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 585086839 COVUAZPASMLUHV-LLVKDONJSA-N 250.302 0.308 0 50 CCAA CN(C)[C@H]1C[C@H](NC(=O)c2ccn(C)c(=O)c2)C1(C)C 585089414 LLVXBWAYHOSTLJ-RYUDHWBXSA-N 277.368 0.844 0 50 CCAA O=C(NCCc1ccccn1)[C@@H]1CN2CCC[C@@H]2CO1 585120730 GFDZHKMXSLUEDM-KGLIPLIRSA-N 275.352 0.604 0 50 CCAA COCCN(CCOC)C1CN(C(=O)c2cccn2C)C1 585130385 ORHYYSMQVIDXAM-UHFFFAOYSA-N 295.383 0.444 0 50 CCAA Cc1cc(NC(=O)[C@@]23CCOC[C@@H]2CNC3)nn1C 685941976 KFXIFMYKWSTPIO-GXFFZTMASA-N 264.329 0.293 0 50 CCAA CNc1nc(C)cc(C(=O)N[C@@H]2CC[C@@H]2COC)n1 1614998587 LDPXAOLYHLLHRU-NXEZZACHSA-N 264.329 0.982 0 50 CCAA CO[C@]1(C)C[C@@H](NC(=O)[C@@H]2CSCN2)C1(C)C 121680819 OWVILKJLRWTDEO-YGOYTEALSA-N 258.387 0.969 0 50 CCAA CN(C(=O)[C@@H]1C[C@@H]1C1CC1)[C@@H]1CCN(S(C)(=O)=O)C1 329333920 XEYAWDOYSVEFLJ-IJLUTSLNSA-N 286.397 0.525 0 50 CCAA CCO[C@H](C)C(=O)N1CCC[C@@]1(COC)C(=O)O 643848958 PVKTXDYJYRUJME-BXKDBHETSA-N 259.302 0.504 0 50 CCAA Cc1cc(C(N)=O)c(N2CCN(CC(=O)O)CC2)nc1C 1704313316 IRPDNKBULJJYLV-UHFFFAOYSA-N 292.339 0.004 0 50 CCAA Cc1cc(C)n(C[C@H]2CN(CCC3OCCO3)CCO2)n1 124205050 IBYLKYPBZKCHIF-CQSZACIVSA-N 295.383 0.964 0 50 CCAA Cc1cc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c(C)o1 168021441 LUMZYSQUNAATRX-CQSZACIVSA-N 291.307 0.711 0 50 CCAA CCC(=O)NCC(=O)Nc1cc(C(=O)NC)ccc1OC 1857528368 MBZFGTHEFXSQPX-UHFFFAOYSA-N 293.323 0.520 0 50 CCAA Cc1ncc(-c2nccn2C[C@@H]2CN(C)CCO2)n1C 1857667478 UBODTXJXSPPVPU-LBPRGKRZSA-N 275.356 0.923 0 50 CCAA Cn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)C1CC1 657199827 BBFPILPXKCZOKD-GXFFZTMASA-N 299.396 0.970 0 50 CCAA O=C(Cc1cccc(Cl)c1)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875249100 GNYDQIWDWSXOPX-OIMNJJJWSA-N 297.738 0.526 0 50 CCAA CCc1cc(CNS(=O)(=O)CC[C@@H]2CCOC2)n[nH]1 815014918 CLUPJMLHSHJDAN-JTQLQIEISA-N 287.385 0.818 0 50 CCAA C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cncnc2)CC1 123289016 GWDHWKANSTZIAQ-LBPRGKRZSA-N 289.383 0.261 0 50 CCAA C[C@@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)CCCO1 648270391 LDYMZFTWXGNQCJ-SNVBAGLBSA-N 278.356 0.872 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)N1CCOCC1 911911100 NHUUXXVMZDDBIO-OAHLLOKOSA-N 276.336 0.654 0 50 CCAA Cn1nc(O)c2c1CN(CCn1ccccc1=O)CC2 931194663 LUQYNDBZEUTPPP-UHFFFAOYSA-N 274.324 0.346 0 50 CCAA C=CC(=O)N(C)CC(=O)NCC(=O)N(C)C1CCCCC1 859871365 WFAJSJATILLACA-UHFFFAOYSA-N 295.383 0.538 0 50 CCAA Cn1nccc1CC(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952849171 QAGASEWKZFSLEC-QWHCGFSZSA-N 289.339 0.802 0 50 CCAA N[C@H](C(=O)NC[C@H]1CCNC1)[C@H]1CCc2ccccc21 1875349390 VNHAZMHDNIHIKU-CQDKDKBSSA-N 273.380 0.769 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H]1CCNC(=O)c2[nH]ccc21 1875377397 ZHUFDXBXMHXJAO-PGLGOXFNSA-N 276.340 0.423 0 50 CCAA O=C1NC[C@@H](O)CC12CCN(c1ncc(Cl)cn1)CC2 896337618 UZGTZLMAGCJZNL-JTQLQIEISA-N 296.758 0.597 0 50 CCAA C[C@@H]1C[C@@H](C(=O)N2CCOC[C@@H]2C(=O)O)CCO1 257702877 PDABKWATEKEEDB-KXUCPTDWSA-N 257.286 0.114 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)COC(C)C 643849923 HZNZDWVHZVHVEF-GFCCVEGCSA-N 259.302 0.504 0 50 CCAA Cc1ccc2nc(CN3CCOC3=O)cc(=O)n2c1 95501918 YMZNEBOJDSSONG-UHFFFAOYSA-N 259.265 0.955 0 50 CCAA O=C(Cc1nn[nH]n1)NC[C@H]1C[C@@H]1c1ccccc1 2325807298 OWEKIOWRTWDGMB-GHMZBOCLSA-N 257.297 0.662 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)NC(N)=O)cc1 231504 XCSGUMXBOFCZJC-UHFFFAOYSA-N 257.271 0.002 0 50 CCAA CC[C@@H](CO)NC(=O)[C@H]1COc2ccccc2O1 307703 NIPZFDUTMPPYOZ-JOYOIKCWSA-N 251.282 0.714 0 50 CCAA N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)O 1677520 RSYYQCDERUOEFI-JTQLQIEISA-N 278.312 0.133 0 50 CCAA biogenic,in-vitro O=S(=O)(c1ccc(Cl)nc1)N1CCOCC1 1709598 BHGFDIYEFUUCNM-UHFFFAOYSA-N 262.718 0.756 0 50 CCAA C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(N)=O 2391066 PYZXYZOBPGPOFQ-SCZZXKLOSA-N 252.270 0.148 0 50 CCAA in-vitro CC(=O)N1CCC[C@H](c2nnc3n2CCNCC3)C1 2356155755 LXTKHDALOUMRPQ-NSHDSACASA-N 263.345 0.150 0 50 CCAA NC(=O)CC[C@@H]1NC(=S)N(c2ccccc2)C1=O 6096745 UNCINZHSIAEDPO-VIFPVBQESA-N 263.322 0.542 0 50 CCAA c1nc(N2CCOC3(CCOCC3)C2)c2[nH]cnc2n1 133635098 GMHCZVNXGHAQHL-UHFFFAOYSA-N 275.312 0.739 0 50 CCAA CN1CCN(Cc2cccc(O)c2)C[C@@H]1CCO 23372850 WMKIRZSTNDQWKW-ZDUSSCGKSA-N 250.342 0.891 0 50 CCAA CNC(=O)CCc1cccc(N2C[C@H](C(=O)O)CC2=O)c1 65452036 CGTKGCVZVWILRM-LLVKDONJSA-N 290.319 0.803 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCc2cn[nH]c2C1 170269024 ZAAWRVCYMFEZKT-SNVBAGLBSA-N 296.352 0.850 0 50 CCAA Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2CC(=O)N(C)C3)c(=O)[nH]1 67894743 BIZNWJQURDCJHR-MNOVXSKESA-N 289.335 0.519 0 50 CCAA CNC(=O)CCN(C)c1cc(C2CC(N)C2)ncn1 219413479 GYMXKLQLPCLQKM-UHFFFAOYSA-N 263.345 0.254 0 50 CCAA C[C@H](CO)N(CCN1CCN=C1O)C1CCCC1 329653217 LJECIMIPMUTKBP-LLVKDONJSA-N 255.362 0.841 0 50 CCAA CC(C)(C)CCS(=O)(=O)N1CCO[C@@H](CC(=O)O)C1 232505075 LEGXRSBBIBJRJG-JTQLQIEISA-N 293.385 0.928 0 50 CCAA C[C@H]1CNCCN1C(=O)Cn1c(=O)[nH]c2ccccc21 125652519 WMXULQQEWLVOCF-JTQLQIEISA-N 274.324 0.150 0 50 CCAA COCc1cc(CNC(=O)[C@H](N)c2ccccc2)n[nH]1 71415567 KBLKGYJAVMMHJM-CYBMUJFWSA-N 274.324 0.872 0 50 CCAA COc1cc(C(=O)NC[C@@H]2COCCO2)ccc1F 215815518 MACRQBIFIGMBEY-SNVBAGLBSA-N 269.272 0.980 0 50 CCAA O=C([C@@H](O)C1CCC1)N1CCC[C@H](CN2CCOCC2)C1 333123351 VKQRQIRSAAFELQ-HIFRSBDPSA-N 296.411 0.718 0 50 CCAA CNCCN(C)C(=O)c1cccc(N2CCNC2=O)c1C 237359047 BESOVDPEMFVUBI-UHFFFAOYSA-N 290.367 0.816 0 50 CCAA C[C@H]1C[C@H](CC(=O)NCC(=O)C(C)(C)C)NC(=S)N1 212299764 GZLIMDITRPYTRQ-DTWKUNHWSA-N 285.413 0.733 0 50 CCAA COCCCNC(=O)c1ccc(N2CCOCC2)nn1 244166361 VAXSJHDBDDUPIV-UHFFFAOYSA-N 280.328 0.080 0 50 CCAA C[C@H]1C[C@@H](C(=O)O)CN(C(=O)c2cccc(C(N)=O)c2)C1 263363130 SLDIFACLHXJRGD-JOYOIKCWSA-N 290.319 0.968 0 50 CCAA NS(=O)(=O)c1cccc(C(=O)N2CCSCC2)c1 49215415 MUKDXGMSUIHLMH-UHFFFAOYSA-N 286.378 0.523 0 50 CCAA Cc1ncsc1CCC(=O)NCCN1CCNC1=O 82087260 LFVDKAFRSQDQDV-UHFFFAOYSA-N 282.369 0.526 0 50 CCAA CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](N)C1 237415410 OIFBQOXGOVTTEK-STQMWFEESA-N 296.392 0.202 0 50 CCAA O=C1NCCCc2[nH]c([C@@H]3CC(=O)N(C4CC4)C3)nc21 95378794 PCJSJWKYFBRONH-MRVPVSSYSA-N 274.324 0.564 0 50 CCAA Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@]1(C)CCCO1)C2 426490448 HMBJPMUXXHFDMG-CQSZACIVSA-N 277.324 0.500 0 50 CCAA CCN1CCO[C@@H](C(=O)NCc2ccc(CO)c(F)c2)C1 178316712 XSDHGFZFIPHQPR-CQSZACIVSA-N 296.342 0.655 0 50 CCAA CCc1noc(CCNC(=O)[C@H]2CCC(=O)N(CC)C2)n1 91435121 NBANTAKNAKLZKJ-JTQLQIEISA-N 294.355 0.549 0 50 CCAA CC(C)(C)c1cc(CN2C[C@H](O)C[C@H]2C(=O)O)n[nH]1 244695630 JPOJXMCXJSBPIS-ZJUUUORDSA-N 267.329 0.727 0 50 CCAA C[C@@H](C(=O)NCc1nnc(N)s1)n1cccc1 534651795 TUXWPCJLVQQUTN-ZETCQYMHSA-N 251.315 0.799 0 50 CCAA NCC[C@@H]1CN(C(=O)Nc2ccc3[nH]nnc3c2)CCO1 299761434 RJPICCRHFNFSGJ-SNVBAGLBSA-N 290.327 0.539 0 50 CCAA O[C@H]1CN(C2CSCCSC2)C[C@@H]1N1CCCC1 828896753 MGVVAKMGRPAMPY-STQMWFEESA-N 288.482 0.976 0 50 CCAA NC(=O)[C@@H]1CCCN1C(=O)NCCSc1ccccn1 584886354 SVZVWKAOOHNRPV-JTQLQIEISA-N 294.380 0.833 0 50 CCAA CN(Cc1nncn1C)C(=O)[C@H]1CCCCN1C 673362037 RDKBOQBHVHWULT-SNVBAGLBSA-N 251.334 0.258 0 50 CCAA CNC(=O)CCC(=O)NC[C@H]1CC[C@H](CO)CC1 670437743 UYPMUWIJYRDAOW-XYPYZODXSA-N 256.346 0.428 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)CCN2CCCC2=O)C1 670468973 DFZNFMBJHVPAQV-CYBMUJFWSA-N 297.399 0.036 0 50 CCAA CCC[C@@H](O)CNC(=O)c1cnn2c1NC[C@@H](C)C2 1521255340 MYQKEMOBCUDCJR-NXEZZACHSA-N 266.345 0.836 0 50 CCAA O=C(c1cnn[nH]1)N1CCCN(C(=O)c2ccco2)CC1 940063345 AUXSIHNJWWYAKJ-UHFFFAOYSA-N 289.295 0.386 0 50 CCAA Cc1ccc(CCNC(=O)Cc2c(C)nc(O)nc2O)o1 952965101 RWNLQLKVTVRDDH-UHFFFAOYSA-N 291.307 0.999 0 50 CCAA NC(=O)c1nccnc1C(=O)N1CCC(F)(F)C1 408123307 FRSSPEGMDUQHKU-UHFFFAOYSA-N 256.212 0.057 0 50 CCAA CC(C)(O)[C@@H]1CCCN1C(=O)N[C@@H]1CC[S@@](=O)C1 408210715 JXWJDINBUKHAFU-AUSHCKSDSA-N 274.386 0.452 0 50 CCAA C[C@]1(C(=O)NCCC(F)(F)F)CCCNC1=O 408370697 OKHNKOZSZGWHFL-VIFPVBQESA-N 252.236 0.971 0 50 CCAA COC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(N)=O)cc1 408515603 GCRCZQOAPLGBEG-JTQLQIEISA-N 294.332 0.474 0 50 CCAA COC(=O)c1ccc(NC(=O)[C@H]2CCCO2)c(O)n1 585124782 RSVKIVXCZYVQKX-SECBINFHSA-N 266.253 0.691 0 50 CCAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](N)C(C)C)C1 573684791 NSFZYGDWHAVQOR-AXFHLTTASA-N 282.344 0.650 0 50 CCAA Cc1nnc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)nc1C 643718665 COTOUSBCXSLOAR-CQSZACIVSA-N 293.371 0.298 0 50 CCAA C=CC(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 685940171 JXIGQVPGWCUWDS-SNVBAGLBSA-N 254.355 0.739 0 50 CCAA O[C@@]1(c2cnn[nH]2)CCCN(Cc2cncc(F)c2)C1 794009367 LZIJVRFYCMLYMM-ZDUSSCGKSA-N 277.303 0.822 0 50 CCAA CN1C(=O)NCC12CN(CC(=O)Nc1ccccc1)C2 1857689272 LQXRRTFCXMDZIB-UHFFFAOYSA-N 274.324 0.335 0 50 CCAA CN1CC[C@H]2CC[C@@H](C1)N2c1nc(N)c2cnn(C)c2n1 1506395108 CJRVMYKPPODHKP-ZJUUUORDSA-N 287.371 0.618 0 50 CCAA O=C1C[C@H]2NCC[C@H]2N1Cc1cn2ccsc2n1 1857684125 ZWRFYDCRJRALCZ-NXEZZACHSA-N 262.338 0.859 0 50 CCAA COCc1nsc(N2C[C@H]3COC[C@@H](C2)O3)n1 328810440 OIRAMCLHCNGFPR-OCAPTIKFSA-N 257.315 0.289 0 50 CCAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)NCC(F)(F)F)n1 432455740 LWWAEVGEUNIPIL-NKWVEPMBSA-N 294.233 0.758 0 50 CCAA CCO[C@@H](C)C(=O)N1CCC[C@@]1(COC)C(=O)O 643848960 PVKTXDYJYRUJME-JOYOIKCWSA-N 259.302 0.504 0 50 CCAA CCCn1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)cn1 263319577 NFQFYAFLARJVTC-WAAGHKOSSA-N 251.286 0.886 0 50 CCAA CCOCCN1CCN(CC(=O)N2CCCC2)C[C@H]1C 247229593 RCZZUGOVRVGQEK-CQSZACIVSA-N 283.416 0.651 0 50 CCAA O=C(c1ccc(CN2CCOCC2)cc1)N1CCOCC1 19762716 OEJIOOHHHIDHCI-UHFFFAOYSA-N 290.363 0.991 0 50 CCAA CCn1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1=O 1857685799 UYDWSEZUHAKWRM-QJPTWQEYSA-N 262.309 0.918 0 50 CCAA COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 408521677 GKAGCQOBFBLKEW-VXGBXAGGSA-N 294.351 0.623 0 50 CCAA CN1CCN(C(=O)C2(O)CCCCC2)C[C@H]1c1ncc[nH]1 328629103 OJGZSCPWRWVYPV-LBPRGKRZSA-N 292.383 0.920 0 50 CCAA COc1ccc(CN[C@@H](C)C[C@@H]2COCCN2)cn1 133469937 CGKHEMBCSPCMFO-WCQYABFASA-N 265.357 0.947 0 50 CCAA CC[C@@H]1CN(C(=O)NC[C@H]2COCO2)C[C@@H](C)O1 864095551 QIDZDTDCGMZECR-MXWKQRLJSA-N 258.318 0.568 0 50 CCAA O=C([C@H]1CCS1(=O)=O)N1CCOc2cccc(F)c2C1 1875284084 KUKKFXLXVLFVNJ-GFCCVEGCSA-N 299.323 0.734 0 50 CCAA CCCn1cncc1CNC[C@]1(CO)COC[C@@H](C)N1C 1875398825 GDGFCHKCAQGLIH-HIFRSBDPSA-N 296.415 0.464 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@@H]1CCC[C@@H]1N 237134878 UKHJXKIWASVPMP-MNOVXSKESA-N 253.346 0.195 0 50 CCAA O=C(c1nnc(O)nc1O)N1C[C@H]2CSC[C@@H](C2)C1 1775204508 PWDLHZDMJDSAFW-BQBZGAKWSA-N 282.325 0.108 0 50 CCAA CCS(=O)(=O)c1ccccc1C(=O)N1CCN[C@H](C)C1 155168556 YFGHKJYBMPDYJL-LLVKDONJSA-N 296.392 0.914 0 50 CCAA NS(=O)(=O)Cc1ccc(NC(=O)C2(C(=O)O)CC2)cc1 262290367 HBMMZHPMVHTATL-UHFFFAOYSA-N 298.320 0.278 0 50 CCAA O=C(NCc1cccnc1O)[C@]12CCC[C@H]1NCC2 714991970 FLAVBYVIWIIICX-RISCZKNCSA-N 261.325 0.936 0 50 CCAA CN(C)C[C@@H](O)CNc1ncc(C(=O)O)cc1Cl 717388668 WWKYTKDNAUMJAQ-QMMMGPOBSA-N 273.720 0.768 0 50 CCAA CC1(C)CCN(C[C@@H](O)C2(O)CCOCC2)[C@H]1C(=O)O 2325803177 VXWILDVSFAZPNK-MNOVXSKESA-N 287.356 0.074 0 50 CCAA Nc1ccc(Br)cc1S(N)(=O)=O 337190 BGILQOXCWMHWOM-UHFFFAOYSA-N 251.105 0.679 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cccc(O)n1)C2 2356157825 SMRAUDTWELWGLE-HZMBPMFUSA-N 278.308 0.522 0 50 CCAA Nc1ncccc1CN1CCC2(CC1)CNC(=O)CO2 2356164220 KCRSLIQADXGTQE-UHFFFAOYSA-N 276.340 0.145 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCCNCC2)cc1 4218786 LBZDXFSGDLAAAZ-UHFFFAOYSA-N 254.355 0.979 0 50 CCAA COCCNC(=O)CN1C(=O)COc2ccccc21 4688221 RZJPZQWLLYBXCQ-UHFFFAOYSA-N 264.281 0.175 0 50 CCAA COc1ccc(C(N)=O)cc1S(=O)(=O)NC(C)C 6729441 WVLZNZOAFJOYCU-UHFFFAOYSA-N 272.326 0.481 0 50 CCAA COC(=O)[C@H]1CS(=O)(=O)CCN1C[C@@H]1CC=CCC1 221908035 LICIOVMCZNFYBV-VXGBXAGGSA-N 287.381 0.615 0 50 CCAA CC1CC(=O)C(C(=O)CC2CC(=O)NC(=O)C2)C(=O)C1 102602769 GCGBPTWYQCZHOJ-UHFFFAOYSA-N 279.292 0.183 0 50 CCAA CN1CCO[C@H](CNC[C@@H](O)c2ccc3c(c2)OCO3)C1 223040126 FPHZELAEXDMHAL-CHWSQXEVSA-N 294.351 0.369 0 50 CCAA CNC(=O)CCN(C)c1cc(C2CCNCC2)nc(C)n1 67675598 HYYKPJVFNOBWLC-UHFFFAOYSA-N 291.399 0.824 0 50 CCAA CN(C)S(=O)(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 247986712 ZDEBNQZASPDBNP-BBBLOLIVSA-N 276.358 0.511 0 50 CCAA CCc1cnc(N2CCC3(CC2)NCCNC3=O)nc1 67974007 QXUBPQYYHYTEGF-UHFFFAOYSA-N 275.356 0.097 0 50 CCAA COC(=O)CSc1nnnn1-c1ccc(C(N)=O)cc1 133804 FKMYGZGTDHZRGQ-UHFFFAOYSA-N 293.308 0.026 0 50 CCAA O=c1nc(N2CC[C@H](Oc3cccnc3)C2)[nH]c2[nH]ncc12 120302001 UTGCOLJCWZQDLP-JTQLQIEISA-N 298.306 0.699 0 50 CCAA C[C@H](Cn1cncn1)NC(=O)Cn1nc2ccccc2n1 219834395 FAZSMAVOXCIODV-SNVBAGLBSA-N 285.311 0.228 0 50 CCAA Cc1cccc(C(C)C)c1NC(=O)NC(CO)(CO)CO 253424281 CWUVRKJREAPUNP-UHFFFAOYSA-N 296.367 0.956 0 50 CCAA O=C(O)[C@H]1[C@@H]2C(=O)N(c3cccnc3)C[C@@]23C=C[C@H]1O3 217652551 OBRIIHPXQLEJSC-BIAAXOCRSA-N 272.260 0.453 0 50 CCAA C[C@@H](C(=O)N(C)CC(=O)O)N1CCc2ccccc2C1 153094794 LXJZSJIMTUEOCF-NSHDSACASA-N 276.336 0.976 0 50 CCAA O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1c[nH]nn1 153144765 KCDAJZJCTLOZGF-LLVKDONJSA-N 291.355 0.716 0 50 CCAA C[C@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H](C)N1 153931314 MNNMJDMBLZEWAB-PHIMTYICSA-N 253.346 0.208 0 50 CCAA N=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCC(=O)N1 335427344 LJVBPBDKDDLUHO-RYUDHWBXSA-N 287.319 0.754 0 50 CCAA COC(=O)[C@@H](O)C1CCN(C(=O)c2ccncc2)CC1 331258204 YZRHCUDCCQGCHP-LBPRGKRZSA-N 278.308 0.468 0 50 CCAA O=C(O)C(=O)N1CC[C@@H](n2cc3ccccc3n2)C1 368650041 MSUSBAKIXAWTKX-SNVBAGLBSA-N 259.265 0.894 0 50 CCAA COCC1(S(=O)(=O)N2CCOC[C@H]2C2CC2)CC1 333489820 ZEWDINTUMFITNA-NSHDSACASA-N 275.370 0.606 0 50 CCAA CN1C[C@H](C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1=O 132591230 AWIPGRDIZUECFQ-PWSUYJOCSA-N 292.339 0.479 0 50 CCAA COCCn1cnnc1CCNC(=O)C(=O)c1ccco1 221309194 GNEUQTSLKUEARG-UHFFFAOYSA-N 292.295 0.059 0 50 CCAA Cc1cc(N2CC(N3CCNC3=O)C2)nc(C2CC2)n1 289123388 MRECOPFGOPUAPR-UHFFFAOYSA-N 273.340 0.876 0 50 CCAA c1nc(NCCn2cnnc2)cc([C@@H]2CCOC2)n1 426470489 BJCVRYXVSLNZGP-SNVBAGLBSA-N 260.301 0.684 0 50 CCAA CSc1ncc(C(=O)N2CCC[C@](O)(CO)C2)cn1 220085731 OGNKYEWWZLDGMF-GFCCVEGCSA-N 283.353 0.158 0 50 CCAA CCN(CCN(C)C)C(=O)N[C@@H](C)c1n[nH]c(C)n1 426693799 PPNDTDUBBJKBFI-VIFPVBQESA-N 268.365 0.767 0 50 CCAA O=C(CN1CCN(Cc2c[nH]cn2)CC1)N1CCCCC1 179786949 YWRKCBKMMXSEKP-UHFFFAOYSA-N 291.399 0.540 0 50 CCAA Cc1nccn1CCCN1C(=O)NC2(CCNCC2)C1=O 95500400 NWQFVZCESQBRME-UHFFFAOYSA-N 291.355 0.256 0 50 CCAA CN(CCOCc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O 384024703 QIXKVHPBFZWXQF-ZIAGYGMSSA-N 299.392 0.293 0 50 CCAA CO[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1c1cnn[nH]1 621316272 LZHNFISLMVTHDW-CMPLNLGQSA-N 296.762 0.769 0 50 CCAA Cc1cc(C)n(CCCC(=O)NC[C@H]2CNCCO2)n1 534648011 XDVJAWAFXFDJCG-CYBMUJFWSA-N 280.372 0.385 0 50 CCAA COCCn1cnnc1CN(C)Cc1nc(C)no1 299756078 CMQKCEIBJBUGPR-UHFFFAOYSA-N 266.305 0.248 0 50 CCAA C[C@@H](C(=O)NCC1(O)CCN(C)CC1)N1CCCCC1 823761222 XNIVEVUONHQYOK-ZDUSSCGKSA-N 283.416 0.434 0 50 CCAA O=C(NCCc1cnn[nH]1)N1CCOc2ccccc2C1 584900874 STEXKGUFAJBSLY-UHFFFAOYSA-N 287.323 0.951 0 50 CCAA Nc1ncc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)s1 827590518 TVVWAOHVCVFICO-RYUDHWBXSA-N 282.413 0.756 0 50 CCAA O=C(CCC1CCC1)N1CCC[C@@H](N2CCNCC2=O)C1 186629148 GITLCDZETJOPRF-CQSZACIVSA-N 293.411 0.990 0 50 CCAA Cn1cc(S(=O)(=O)N[C@H]2CCC[C@H]2CN)nc1Cl 170684829 KKHORIGWHQUWRL-YUMQZZPRSA-N 292.792 0.479 0 50 CCAA COc1cccc2c1[C@@H](C(=O)N1C[C@H](O)C[C@H]1CO)CC2 645990654 JGLWEIPVRVMIHP-XQQFMLRXSA-N 291.347 0.679 0 50 CCAA CC1(S(=O)(=O)N[C@@]2(C(=O)O)CCSC2)CC1 564926986 NZVYDRHDDUMQRZ-VIFPVBQESA-N 265.356 0.419 0 50 CCAA CN(Cc1cccnc1)C[C@H]1CCN(CC(=O)N(C)C)C1 195301468 RZIBWDVUICADBR-OAHLLOKOSA-N 290.411 0.924 0 50 CCAA COCC1(C(=O)N2CCN(c3cnccn3)CC2)CC1 679284287 VKFIKLHWISUEIG-UHFFFAOYSA-N 276.340 0.552 0 50 CCAA COc1ncccc1C(=O)N1CCOC[C@@H]1CC(=O)O 129358527 SCMXLNSVVALBFO-VIFPVBQESA-N 280.280 0.406 0 50 CCAA CCN(CCn1cccn1)c1cc2nncn2c(N)n1 1529150736 AKEABKNFOVEZRW-UHFFFAOYSA-N 272.316 0.430 0 50 CCAA Cc1cnc(N2CC[C@@H](C(=O)O)C2)nc1N(C)C 1704308711 HXNKSVFADPYCEX-SECBINFHSA-N 250.302 0.762 0 50 CCAA CC(C)[C@H]1CN(S(=O)(=O)Cc2ccon2)CCO1 408138305 JLKXKKBUKPABEA-LLVKDONJSA-N 274.342 0.861 0 50 CCAA Cc1nnc(CN2C[C@H]3CCN(C)C(=O)[C@H]3C2)s1 1772807059 IKMBEMNVHVNNPD-ZJUUUORDSA-N 266.370 0.757 0 50 CCAA O=C1C[C@H]2NCC[C@H]2N1CCn1ncc2ccccc2c1=O 1857684706 ZNFPAVMNODCRSU-ZIAGYGMSSA-N 298.346 0.359 0 50 CCAA Cc1nc(N2CC[C@@]3(CNC(=O)CO3)C2)c2[nH]ccc2n1 1857699463 PWHIMVDNNWDQEN-CQSZACIVSA-N 287.323 0.362 0 50 CCAA Cc1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)no1 1857721610 YBBOIUUGYJNDPQ-DCAQKATOSA-N 265.313 0.574 0 50 CCAA O=C([C@@H]1OC[C@@H]2COCC[C@H]21)N1CCOC[C@@]12CCOC2 329685698 BEDKLAAKONBZCN-JLNYLFASSA-N 297.351 0.056 0 50 CCAA O=C1C[C@@]2(CCN(C(=O)c3ccc4n[nH]cc4c3)C2)CN1 334571525 STAAZCMUFJWZOU-HNNXBMFYSA-N 284.319 0.915 0 50 CCAA CCOC[C@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCNC2)C1 662488121 JYFRGMQJBOOTLW-NWDGAFQWSA-N 292.383 0.985 0 50 CCAA Cc1cc(C)c(C(=O)N2CC[C@@](O)(Cn3ccnn3)C2)o1 671499149 CWYNDUFUTCFXRO-AWEZNQCLSA-N 290.323 0.765 0 50 CCAA COc1nn(C)cc1NC(=O)N1CCO[C@@]2(CCOC2)C1 682758567 KCLLDMNOKBHCTC-ZDUSSCGKSA-N 296.327 0.452 0 50 CCAA O=C(Cc1n[nH]c2ccccc12)N1CCO[C@H]2CNC[C@H]21 370585886 XZWPQTHHGYMIDV-KGLIPLIRSA-N 286.335 0.305 0 50 CCAA C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1C[C@@H](C(=O)O)C1 263185782 HWQZFCOHQDIASY-IEBDPFPHSA-N 282.340 0.661 0 50 CCAA Cn1ccnc(N2CCC[C@@H](Nc3ncccn3)C2)c1=O 266194869 CHARKLWJNUBKAV-LLVKDONJSA-N 286.339 0.651 0 50 CCAA COc1ncc(CN2CC[C@@H](O)[C@@H](CO)C2)cc1Cl 1235696469 FEKJKGBBWBXVOW-ZYHUDNBSSA-N 286.759 0.919 0 50 CCAA O=C(CN[C@@H]1C[C@@H](O)C12CCOCC2)NC1CCCC1 931792060 XFBAPVVIAFTTMW-CHWSQXEVSA-N 282.384 0.565 0 50 CCAA CC1(C)CN(C(=O)[C@H](O)c2cnc[nH]2)C[C@@]2(CCOC2)O1 867951606 PTKTYTYZYAXHOK-BXUZGUMPSA-N 295.339 0.240 0 50 CCAA C=CC(=O)N1CCC(C(=O)N(C)CCn2cccn2)CC1 1875369409 MLMKTYWVYQVGAG-UHFFFAOYSA-N 290.367 0.766 0 50 CCAA CS(=O)(=O)NC(=O)Cc1csc(-c2cccnc2)n1 1875390735 FFLIKXXUDJHCEZ-UHFFFAOYSA-N 297.361 0.823 0 50 CCAA C[C@@]1(C(=O)N[C@H]2CC(=O)NC2=O)CCc2ccccc2C1 1875396598 ODLNBRZJADXZIX-BLLLJJGKSA-N 286.331 0.713 0 50 CCAA CN1C(=O)CN=C1NC(=O)c1cc2c(ccn2C)[nH]1 1875392741 RHTDMBFBGXNILF-UHFFFAOYSA-N 259.269 0.064 0 50 CCAA O=C(NC[C@]1(O)CCOC1)c1[nH]ccc1C1CC1 1775987734 HBKBJMRGDBYLKI-CYBMUJFWSA-N 250.298 0.773 0 50 CCAA CC(C)N1CCC(N2CCN(CCO)CC2)CC1 19889077 GPCYVFIILGIAMG-UHFFFAOYSA-N 255.406 0.469 0 50 CCAA CN[C@H]1CCCN(C(=O)CCn2ccccc2=O)C1 151011781 FCKVWOYNOZNSPZ-LBPRGKRZSA-N 263.341 0.449 0 50 CCAA O=C(CN1CCNCC1)N1CCC[C@]2(CCCOC2)C1 638015407 OLKUNMULEVECAH-HNNXBMFYSA-N 281.400 0.311 0 50 CCAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NCCn2cccn2)C1 399084839 UVKRVCKJFGUWCK-GHMZBOCLSA-N 280.328 0.635 0 50 CCAA O[C@H]1[C@@H]2C[C@H](CN=c3ncc4ccccc4[nH]3)[C@@H](C2)[C@H]1O 2325789921 XDXKXJPVKOHFEH-MYYUVRNCSA-N 285.347 0.841 0 50 CCAA Cc1ccc(C)c(S(=O)(=O)NC(=O)[C@H](C)O)c1 236732 MEBBPZOSAPTHJP-VIFPVBQESA-N 257.311 0.489 0 50 CCAA NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 246309 BXOQOQIDTYHJHJ-UHFFFAOYSA-N 268.338 0.960 0 50 CCAA Cc1ccc(N)c(S(=O)(=O)N[C@@H](C)C(=O)O)c1 392075 LEACDPAILWJMJJ-ZETCQYMHSA-N 258.299 0.329 0 50 CCAA COC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 474243 AWWIGMLMXIDPKP-UHFFFAOYSA-N 272.282 0.690 0 50 CCAA C[C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](CC(=O)O)C2)O1 222264437 VWLGEASSLOVENR-UTLUCORTSA-N 257.286 0.256 0 50 CCAA CS(=O)(=O)CCN1N=C(C(F)(F)F)CC1=O 112196294 NIIOHKAMLCKFFR-UHFFFAOYSA-N 258.221 0.182 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N[C@H](CN)C1CCCC1 420432944 HXOQNTIYSYFUSG-LLVKDONJSA-N 286.401 0.524 0 50 CCAA NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC(OC(F)F)C2)C1 346314366 OFBAGCAQCLRLRK-HTQZYQBOSA-N 276.283 0.728 0 50 CCAA Cn1nccc1/C=C/C(=O)N1CC(F)(F)C[C@@H]1CO 364605879 XFNULZIZVPKORQ-VMZHVLLKSA-N 271.267 0.662 0 50 CCAA CCN(C(=O)c1c(Cl)cnn1CC)[C@H](C)C(N)=O 71751788 MKGZKUUBNNIJNI-SSDOTTSWSA-N 272.736 0.892 0 50 CCAA COc1nc(C)c(C(=O)N2CCOC[C@@H](CO)C2)s1 77485945 LSQXRMFSVLEYPJ-SECBINFHSA-N 286.353 0.541 0 50 CCAA CC1(Cn2cc(C(=O)N3CCCCCO3)nn2)COC1 329986675 SBBCHTWKCVTDMI-UHFFFAOYSA-N 280.328 0.872 0 50 CCAA CCN1CCO[C@@H](C(=O)Nc2cnccc2CO)C1 367289014 YUVBZRWFCQKXJV-GFCCVEGCSA-N 265.313 0.233 0 50 CCAA O=C(CCNc1ncnc2c1CCNCC2)N1CCCC1 72424763 CZMOYEIRGGYFAC-UHFFFAOYSA-N 289.383 0.589 0 50 CCAA Cc1nc(N2CCC(=O)NC[C@H]2C)c2cnn(C)c2n1 72148491 FCGZTYZRUTUFFB-MRVPVSSYSA-N 274.328 0.387 0 50 CCAA CN(C)C[C@@]1(O)CCCN(Cc2cccnc2N)C1 72407305 MGBSCHDMTKEGQT-AWEZNQCLSA-N 264.373 0.552 0 50 CCAA C[C@@H](CN)CC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 237516054 SKDTVSLJOAEIBG-BXUZGUMPSA-N 280.372 0.479 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2cnn(C(C)C)c2)C1 284527186 JPEKQGFQTZJOQZ-RYUDHWBXSA-N 266.345 0.539 0 50 CCAA CC(=O)N1CCN(C(=O)NCCc2cccnc2)CC1 426536550 SPVNGBQZYXHDRX-UHFFFAOYSA-N 276.340 0.498 0 50 CCAA CN1CCN(CC(=O)NCc2cnc3c(c2)CCC3)C1=O 426739100 SUOFRJLEQPLRAT-UHFFFAOYSA-N 288.351 0.554 0 50 CCAA CN1CCO[C@@H](CNC(=O)c2cccc3c2OCCO3)C1 194600927 NXJSFIOXBRFTJQ-NSHDSACASA-N 292.335 0.518 0 50 CCAA Cc1ccc2[nH]c(CNCCS(C)(=O)=O)cc(=O)c2c1 91617013 OCEPRVVNQVGPCD-UHFFFAOYSA-N 294.376 0.971 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CO)C[C@H]1c1ccc2c(c1)OCO2 91906752 YRSXFRFGWZCCAK-VHSXEESVSA-N 293.275 0.034 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)N1CCOC[C@@H]1CO 91792955 NFTLISQNRLRWHY-ZDUSSCGKSA-N 295.383 0.935 0 50 CCAA Cc1nc[nH]c1C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 91626305 OZXRAVQPVIVEDK-VHSXEESVSA-N 263.297 0.901 0 50 CCAA CCc1nnc(N2CC[C@@]3(O)CCN(C(C)=O)C[C@H]3C2)o1 95355926 QQQBPDKSKWSSHK-FZMZJTMJSA-N 294.355 0.442 0 50 CCAA CCn1cnnc1CN(C)C(=O)[C@@H](C)Cn1cncn1 252509440 YNXCVSPKWFYCGD-JTQLQIEISA-N 277.332 0.184 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCC[C@H](CCN)C2)cn1C 534655121 HFCBQBUVHWSUHU-GFCCVEGCSA-N 277.368 0.895 0 50 CCAA O=C(Cc1cccs1)N1CCc2n[nH]c(=O)cc2C1 263615312 BSTHFQBPBPZABQ-UHFFFAOYSA-N 275.333 0.959 0 50 CCAA C[C@H](CN1CCCC1)C(=O)NCCc1ncc[nH]1 534632928 MKLRIWRSEWEPST-LLVKDONJSA-N 250.346 0.800 0 50 CCAA COC(=O)c1ccc(S(C)(=O)=O)c(S(C)(=O)=O)c1 260260146 BTENMFGJJVWDOY-UHFFFAOYSA-N 292.334 0.280 0 50 CCAA CC[C@H](C)NC(=O)CN1Cc2nc(C)n(C)c(=O)c2C1 299784470 IQFFKWXJGSWXLM-VIFPVBQESA-N 278.356 0.319 0 50 CCAA CN(Cc1n[nH]c(=O)[nH]1)c1cc([C@H]2CCOC2)ncn1 299783736 XXQQKLLTWZXAIU-QMMMGPOBSA-N 276.300 0.028 0 50 CCAA Nc1nc(NCCO)cc(NCC[C@@H]2CCCOC2)n1 828767789 NWQXVMCGXPEOHE-JTQLQIEISA-N 281.360 0.692 0 50 CCAA CC(C)(C(=O)NC[C@]1(O)CCCNC1)N1CCCC1 827635491 GVPVGNDXZLUVBH-AWEZNQCLSA-N 269.389 0.092 0 50 CCAA O=C1OCC2(CCN(C(=O)CC3CCNCC3)CC2)O1 584901813 JETDQDYBQBGPTM-UHFFFAOYSA-N 282.340 0.904 0 50 CCAA CCCN1CCC(CCNC(=O)[C@@H]2CCN2)CC1 670450916 FNQJESRQKLTDLL-ZDUSSCGKSA-N 253.390 0.977 0 50 CCAA Cc1ncn(CCN[C@@H](C)CN2CCN(C)CC2)c1C 670444652 ZHPXSPKSCASJSA-ZDUSSCGKSA-N 279.432 0.725 0 50 CCAA O=C(NC[C@@H]1CCCO1)c1ccc(-n2cnnn2)cc1 13734229 GONUPDXOHUKPIH-LBPRGKRZSA-N 273.296 0.571 0 50 CCAA Cc1ncc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)[nH]1 1076064969 ZHBGMOGSYHDJHY-OLZOCXBDSA-N 274.328 0.655 0 50 CCAA O=C(CN1CCCCCC1)NC[C@H](O)CN1CCCC1 952977055 ZNCIBQIDJNOLHL-AWEZNQCLSA-N 283.416 0.435 0 50 CCAA CC(C)c1nc(NC(=O)c2cnc(C(=O)O)cn2)n[nH]1 1548453730 ZRPYIOGBXFGMSS-UHFFFAOYSA-N 276.256 0.669 0 50 CCAA Cc1[nH]nc(C(=O)N[C@H]2CCOC[C@@H]2O)c1Cl 1565509563 FPVSYUZXOJDBAH-BQBZGAKWSA-N 259.693 0.251 0 50 CCAA O=C(O)[C@H]1CN(S(=O)(=O)c2cn[nH]c2)C[C@@H]1C1CC1 1565507251 RDVUNHQGILEHRU-ZJUUUORDSA-N 285.325 0.141 0 50 CCAA CN(CCC(=O)O)C(=O)CCCN1C(=O)NC(C)(C)C1=O 269080696 GPHQMGCPEAVHGG-UHFFFAOYSA-N 299.327 0.030 0 50 CCAA CCn1cc(S(=O)(=O)N(C)[C@H](C)C[S@@](C)=O)cn1 274646909 BDXGKVHHCQDGQZ-VVVCHXIZSA-N 293.414 0.291 0 50 CCAA Cc1nc2n(n1)CCN(C(=O)c1ncc(F)cc1F)C2 277209614 XVOFGRMCQRDFBM-UHFFFAOYSA-N 279.250 0.916 0 50 CCAA CCC(CO)(CO)NC(=O)c1ccc(Cl)cn1 170079261 OROJCSLVEOSACC-UHFFFAOYSA-N 258.705 0.598 0 50 CCAA CCCCC(=O)NS(=O)(=O)c1cnc2n1CCC2 170609395 OSWPTSDLHJLIRM-UHFFFAOYSA-N 271.342 0.824 0 50 CCAA C[C@@H]1CC[C@H](O)CN1S(=O)(=O)CCn1ccnc1 641541785 WFIKEMXHHAGKMN-MNOVXSKESA-N 273.358 0.058 0 50 CCAA CN(C)c1ncc(NC(=O)C[C@@H]2CC[C@H](N)C2)cn1 1615540830 NNSUGUAAHIWUNZ-ZJUUUORDSA-N 263.345 0.999 0 50 CCAA COCCC1CCN(C(=O)[C@H]2NCc3ncncc32)CC1 1615548819 TYLOPKKFGUXDTQ-AWEZNQCLSA-N 290.367 0.896 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)C2(N)CC(O)C2)C1(CC)CC 1616040450 KAXWRWSXROIVKC-XWAURUHHSA-N 284.400 0.939 0 50 CCAA CCc1ccc(-c2noc(CCNC(=O)CO)n2)cc1 1616037213 CCHWWOMELHJSGK-UHFFFAOYSA-N 275.308 0.950 0 50 CCAA OC[C@@H](O)C1CCN(CCn2cc(Cl)cn2)CC1 1772701441 MLHBMNAZBHBFIR-GFCCVEGCSA-N 273.764 0.602 0 50 CCAA COCCSc1nnc(NC(=O)[C@@H]2C=CCN2)s1 1529173203 NJBPUCGRKXKLHB-ZETCQYMHSA-N 286.382 0.743 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCOC(C)(C)[C@H]1C 860129329 ZGZQFZAMDGRBLK-SNVBAGLBSA-N 254.330 0.657 0 50 CCAA CCN=c1[nH]c(C)c(C(=O)N2CC3(CN(C)C3)C2)s1 1857676087 CGMNSUMMHWLDOU-UHFFFAOYSA-N 280.397 0.693 0 50 CCAA CN(C)C[C@](C)(O)CN[C@H]1CCN2CCC[C@H]2C1 253393935 NYPLLELCFRUTBY-MELADBBJSA-N 255.406 0.515 0 50 CCAA NCCOc1ccc(NC(=O)[C@@H]2CCC(=O)NC2)cc1 122479621 QYLAQHCAZGYAQW-SNVBAGLBSA-N 277.324 0.489 0 50 CCAA COC(=O)c1cc(NC(=O)CN(C)C)cc(C(=O)OC)c1 13322979 JNKNKEDJHYKTLJ-UHFFFAOYSA-N 294.307 0.760 0 50 CCAA CCc1nc(NC(=O)N[C@@H](C)Cc2cnccn2)nn1C 19791062 BHVCBTXITAYVQT-VIFPVBQESA-N 289.343 0.920 0 50 CCAA O=C(NCc1cnc2cnccn12)c1ccn2ncnc2c1 1857673531 VGSUZLLDOARWLC-UHFFFAOYSA-N 293.290 0.702 0 50 CCAA Cc1cc(C(=O)N[C@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)n[nH]1 1857722210 RBXGHJMZTMLEMR-OBJOEFQTSA-N 290.367 0.700 0 50 CCAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(O)CC1 303380550 RGOOPGTZTNLQSQ-HNNXBMFYSA-N 288.347 0.948 0 50 CCAA COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2555009 OHYMUFVCRVPMEY-ZETCQYMHSA-N 261.274 0.918 0 50 CCAA in-vitro NC(=O)[C@H]1C[C@H](NC(=O)N2CCC[C@@H](CC(=O)O)C2)C1 626777385 MGVASAGCKNMTAF-GUBZILKMSA-N 283.328 0.147 0 50 CCAA CC1(CNC(=O)Cn2cc(CN)nn2)CCCCC1 232851030 FHZBOXMEQCNRHX-UHFFFAOYSA-N 265.361 0.823 0 50 CCAA COC1(c2ccccc2)CN(C(=O)[C@@H](O)c2cnc[nH]2)C1 868322422 GSJFZAFTDGMOLX-ZDUSSCGKSA-N 287.319 0.827 0 50 CCAA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC[C@@H](O)CO 952995429 LUHGGVWONCIJTP-MQYQWHSLSA-N 287.400 0.933 0 50 CCAA CCOc1cncc(=NS(=O)(=O)c2c(C)cnn2C)[nH]1 1875280117 VJPRIVQDSLOYJU-UHFFFAOYSA-N 297.340 0.140 0 50 CCAA COc1cccc([C@@H](CN2C(=O)NC[C@H](O)C2=O)OC)c1 1875278802 HLCGWVFDLAWMDB-NWDGAFQWSA-N 294.307 0.295 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cnn2c(C)cc(C)nc12 1875311631 HVSBFVCHDUYGSL-SNAWJCMRSA-N 288.307 0.805 0 50 CCAA Cc1nc(C(=O)NC(C)C)nc(N2CC[C@@H](N)C2)c1C 1875398264 JHKQOQLIKARDCO-LLVKDONJSA-N 277.372 0.769 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccccc1 647927304 IRHZMZQIUHJKFJ-CYBMUJFWSA-N 299.348 0.941 0 50 CCAA O=S(=O)(NC[C@@H]1CCOCO1)c1ccc(F)cc1 2325746094 HXMRBOHBPMFDGX-JTQLQIEISA-N 275.301 0.867 0 50 CCAA O=C([C@H]1CC12CCOCC2)N1CCNC(=O)C12CCC2 2325766685 STGLOGOALMNVCT-LLVKDONJSA-N 278.352 0.684 0 50 CCAA O=C1NC(=O)c2cc(NC(=O)[C@H]3CCCO3)ccc21 613915 MAHQLVGTPLYAFT-SNVBAGLBSA-N 260.249 0.688 0 50 CCAA CN(C)C(=O)CN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 4120335 JWGUQAPDQZSZOS-DTWKUNHWSA-N 270.716 0.592 0 50 CCAA CCN(C)C[C@@H]1CCN([C@H](C)CC(=O)N2CCOCC2)C1 225339661 HBWHRUBUQYISHA-CABCVRRESA-N 297.443 0.897 0 50 CCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C1CC(C)(C)NC(C)(C)C1 67833522 QLNKQTJCENVNDB-AAEUAGOBSA-N 296.459 0.833 0 50 CCAA O=C1C(=O)N2CCOC[C@@H]2CN1Cc1ccccc1 113541381 OLQKXQMOHXDQKJ-LBPRGKRZSA-N 260.293 0.256 0 50 CCAA CC(C)(CO)CNC(=O)[C@H]1CC(=O)N(C2CC2)C1 65410026 HTBZMEZYJHDQKY-VIFPVBQESA-N 254.330 0.132 0 50 CCAA COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1[C@H]2CCC[C@H]21 253199057 WCXDEWKHVOHSGD-ZRUFSTJUSA-N 253.298 0.433 0 50 CCAA Cc1cc(=O)cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)o1 215402581 XLLVQIPNXLZCBO-MNOVXSKESA-N 290.319 0.641 0 50 CCAA Cn1cnnc1CNC(=O)c1nc2cnccc2s1 328592708 JUGSKSYQMNOQOL-UHFFFAOYSA-N 274.309 0.750 0 50 CCAA COCCn1cc(CN2CCC[C@@](F)(CO)C2)cn1 368036455 JHPDYDCUDRXTDG-ZDUSSCGKSA-N 271.336 0.826 0 50 CCAA Cn1nccc1CCC(=O)NCCN1CCCC1 184844245 MXKQEWKQNOTQJD-UHFFFAOYSA-N 250.346 0.565 0 50 CCAA Cn1nccc1CCC(=O)N1CC[C@@](F)(C(=O)O)C1 262758232 KDUAXYHVDHFQQX-LBPRGKRZSA-N 269.276 0.378 0 50 CCAA Cn1cc([C@]2(C)CN(C(=O)[C@H]3CCCN3)CCO2)cn1 237714372 GVMAGHCMLGPOOC-OCCSQVGLSA-N 278.356 0.246 0 50 CCAA Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2CN)c1Cl 237815334 NJEKQPYKGUVUSJ-MRVPVSSYSA-N 292.792 0.575 0 50 CCAA C[C@H](C(=O)O)N1CCN(C(=O)OC(C)(C)C)CC1=O 223332892 IYLXSDCYHQDJFQ-MRVPVSSYSA-N 272.301 0.539 0 50 CCAA in-vitro CN(Cc1ccccc1)C(=O)CCN1CC[C@@H](N)[C@H](O)C1 82120900 CAOUIPSJURKYMH-HUUCEWRRSA-N 291.395 0.429 0 50 CCAA Cn1ccnc1C(=O)N1CCC(c2ncon2)CC1 426491568 REQDGDNKCIIPGP-UHFFFAOYSA-N 261.285 0.823 0 50 CCAA CO[C@@]1(C)CCCN(C(=O)C2CN(C(C)=O)C2)CC1 336069686 BQVSFQILNUWPFU-AWEZNQCLSA-N 268.357 0.882 0 50 CCAA CCc1cnc(N2CCN(CCn3cncn3)CC2)nc1 95387765 FULPRXLRBQZVSR-UHFFFAOYSA-N 287.371 0.453 0 50 CCAA CC(C)C[C@H]1C(=O)NCCCN1C(=O)c1cn(C)cn1 293770737 ASGPODMKLKJSNO-LBPRGKRZSA-N 278.356 0.797 0 50 CCAA CC(C)n1cncc1CN1CCN(CC(=O)O)C(=O)[C@H]1C 244763849 OWNPAYONVBCBRV-LLVKDONJSA-N 294.355 0.581 0 50 CCAA CCn1cc(CNC(=O)[C@@H](C)Cn2cncn2)c(C)n1 244764163 PCKZJGYLXNPOJY-JTQLQIEISA-N 276.344 0.755 0 50 CCAA CN1C[C@@H](NC(=O)Cc2ccsc2)C[C@H]1C(=O)O 252482204 DANQLCRGBOPSHR-UWVGGRQHSA-N 268.338 0.564 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)C1(O)CCCC1 299750190 MTZJTIYQDPMSMP-NXEZZACHSA-N 252.314 0.029 0 50 CCAA CCc1ocnc1C(=O)NCc1nc(COC)no1 534659502 BFMZXQNPNKRBDO-UHFFFAOYSA-N 266.257 0.696 0 50 CCAA Cc1nccn1CC(=O)N[C@@H](c1ncnn1C)C(C)C 534656054 ITRAYGGWHPWGTE-GFCCVEGCSA-N 276.344 0.834 0 50 CCAA O=C(CCCN1CCCCC1=O)NCCn1ccnn1 299787675 YRNOGDHBXXBRRY-UHFFFAOYSA-N 279.344 0.187 0 50 CCAA COCCCN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299765938 XPJCNXPAOIJWGK-RYUDHWBXSA-N 252.318 0.460 0 50 CCAA Cc1nonc1CC(=O)N[C@H](C)c1nncn1C(C)C 299795026 LPRKGMZETYLAKD-SECBINFHSA-N 278.316 0.970 0 50 CCAA CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nnn(C)n1 585136458 HDWRPDFOTOJHAQ-NSHDSACASA-N 275.312 1.315 0 50 CCAA O=C(NCC[C@H](O)CO)C1(N2CCCC2)CCCCC1 584893614 QVHDYDXMPZDCRE-ZDUSSCGKSA-N 284.400 0.645 0 50 CCAA Cc1cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)ccc2n1 1565531302 YDJCNLWGVBZYKD-RYUDHWBXSA-N 275.308 0.522 0 50 CCAA N[C@H]1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1O 1565515700 CDNMRUGYXMIGCX-KZDYZFFHSA-N 279.384 0.669 0 50 CCAA O=C(N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)C1(O)CCOCC1 408318856 KEENGVGQQBUFQK-WRWGMCAJSA-N 267.325 0.164 0 50 CCAA Cc1ccnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1 301279719 NNWLDOIFPPERMU-GFCCVEGCSA-N 289.383 0.574 0 50 CCAA CCOC[C@@H]1CCN(C(=O)[C@H]2NC(=O)O[C@H]2C)C1 408514377 OTAYEHJWUIXAQA-AEJSXWLSSA-N 256.302 0.368 0 50 CCAA Cc1noc2ncnc(N3CCC[C@](O)(CN(C)C)C3)c12 631343645 GKDZDWJTFVQHBA-AWEZNQCLSA-N 291.355 0.819 0 50 CCAA Cc1ccc(CN2CCN(C(=O)[C@@H](C)O)CC2)c(C)n1 187380679 NAGMLFNWMLIXIH-CYBMUJFWSA-N 277.368 0.723 0 50 CCAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@](O)(C(N)=O)C1 170614274 NJULZQOPWJMBDY-GPCCPHFNSA-N 294.376 0.609 0 50 CCAA CCCn1cc(C(=O)N2CCC[C@]2(COC)C(=O)O)cn1 643853624 FBPGWMOKRQDASZ-AWEZNQCLSA-N 295.339 0.999 0 50 CCAA CC[C@@H](C(=O)O)N1CCN(CCOC)[C@H](CC)C1 191432272 KNSNWWIOPMDLID-NEPJUHHUSA-N 258.362 0.892 0 50 CCAA Cc1cc(COCC(=O)N[C@H]2CCC(=O)NC2(C)C)on1 670004109 LHJYICVSXQCABH-NSHDSACASA-N 295.339 0.673 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)c1ccccn1 195555319 WXSJIOQOXQOWDW-JTQLQIEISA-N 255.343 0.454 0 50 CCAA O=C1NCCC[C@@H]1N1CC[C@](O)(c2ccc(F)cc2)C1 777733863 KRVPPEHKROOQQJ-DZGCQCFKSA-N 278.327 0.998 0 50 CCAA Cn1nccc1CC(=O)N1CCOC[C@H]1C1CCC1 335404307 JLMSGLQAAXWQFV-ZDUSSCGKSA-N 263.341 0.990 0 50 CCAA CN(C)C(=O)N1CCN(CCc2cscn2)CC1 336195030 CMDGVMPSLPMBKV-UHFFFAOYSA-N 268.386 0.985 0 50 CCAA CCCc1cnc(C)nc1NC[C@]1(O)CCNC1 1704324612 BEAWSUGPPHEVBV-ZDUSSCGKSA-N 250.346 0.874 0 50 CCAA O=C(CN1CC[C@H]2CC[C@@H](C1)N2)NC[C@@H]1CCCO1 227714273 JWMCKONUAQZXDH-AGIUHOORSA-N 267.373 0.108 0 50 CCAA O=C(CN1C[C@H]2C[C@@H](O)[C@H]2C1)NCC1CCCCC1 1772710028 LPRSNSRUFTVQPB-HZSPNIEDSA-N 266.385 0.996 0 50 CCAA O=C(c1ccncc1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857736823 YDRQCXNYBVYHBR-DOMZBBRYSA-N 287.319 0.645 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cncc(F)c1)C2 1875242830 DNKDLIOIYWHLDC-MFKMUULPSA-N 279.315 0.623 0 50 CCAA NC[C@@H](C(=O)Nc1c[nH]ccc1=O)C1CCOCC1 864736884 AGPKIMDDKGOTKI-SNVBAGLBSA-N 265.313 0.315 0 50 CCAA O=C1CN(c2cc(=O)n3ccccc3n2)CC2(CC2)N1 1875287860 DAGVYBRWRGTFDD-UHFFFAOYSA-N 270.292 0.163 0 50 CCAA O=C(c1ccc2c(c1)CCNCC2)N1CCC[C@@H]1CO 888096287 RRXZVFOLPSNPEM-OAHLLOKOSA-N 274.364 0.972 0 50 CCAA Cn1nnc2cc(CN[C@H]3C[C@@H](O)[C@@H]3n3cccn3)ccc21 888076231 KOAZAEHIZUXYJL-NWANDNLSSA-N 298.350 0.629 0 50 CCAA CN(C)c1nc(N)nc(CN2CCCCC[C@H]2CO)n1 157069116 SCEVUZRTRLFLGC-JTQLQIEISA-N 280.376 0.257 0 50 CCAA COc1cc(C(=O)NC[C@@H]2CCCC[C@H]2O)nn1C 274767016 YRWVDRIHJNPWRX-GXSJLCMTSA-N 267.329 0.710 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 189176187 DRXCLRLTUULALE-XCBNKYQSSA-N 274.342 0.540 0 50 CCAA O=C(O)C[C@H](NC(=O)[C@@H]1CCCOC1)C(F)(F)F 829375042 VAHHLNJCPVHZPC-RQJHMYQMSA-N 269.219 0.935 0 50 CCAA CN1C(=O)CCC[C@@H]1C(=O)NOCc1cccnc1 907090997 NTBLJDFTFSHCGX-LLVKDONJSA-N 263.297 0.640 0 50 CCAA COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 272425 IRGQOQZEMROKPB-UHFFFAOYSA-N 285.321 0.494 0 50 CCAA Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1 902189 PZWYDZMWPANLMB-UHFFFAOYSA-N 259.333 0.546 0 50 CCAA in-vitro CCCCCn1c(N)nc2c1c(=O)[nH]c(=O)n2C 2475326 MUMZWOPXXUUBMT-UHFFFAOYSA-N 251.290 0.196 0 50 CCAA biogenic CCOc1ccc(C(C)=O)cc1CC(C(N)=O)C(N)=O 4811579 ZPJGTDAOUFBLDH-UHFFFAOYSA-N 278.308 0.417 0 50 CCAA CCn1cnnc1CCNC(=O)CCN1CCCCO1 55325919 JBFYUZVJIKAVHE-UHFFFAOYSA-N 281.360 0.374 0 50 CCAA NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1COc2ccccc2O1 230191854 VIDWPSPAWLBEGB-NRUUGDAUSA-N 290.319 0.597 0 50 CCAA C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CC[C@H]1N 429128289 MTZRLSUGBNFEBB-GXSJLCMTSA-N 289.335 0.827 0 50 CCAA CNS(=O)(=O)CCNc1cc(C)nc2cc(C)nn12 72453937 AHPOWHIHTWBRTB-UHFFFAOYSA-N 283.357 0.307 0 50 CCAA CN(C)C/C=C/C(=O)N[C@H]1CCN(c2ccn(C)n2)C1 364634460 KEKOQZRJAYPCDD-ITKZLYELSA-N 277.372 0.233 0 50 CCAA O=C(NC[C@@H]1CCCOC1)c1nc2ncccn2n1 216111276 QQOMZCHIVAECBG-VIFPVBQESA-N 261.285 0.281 0 50 CCAA O=C(Cc1cccc(F)c1)N1CCC[C@@](O)(CO)C1 72152391 ZKWSDLQIKQFQCI-AWEZNQCLSA-N 267.300 0.714 0 50 CCAA O=C(CN1C[C@@H](F)C[C@H]1CO)NCc1cccnc1 330549599 DRNGDMOCPMTALW-RYUDHWBXSA-N 267.304 0.103 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCC[C@@H]1COC(=O)NC 490736204 VLWZOVMIWGUPAB-LLVKDONJSA-N 297.355 0.416 0 50 CCAA C[C@H](O)Cn1ccnc1-c1cc2n(n1)CCCNC2 72474242 IDFUZZDOOCGGDX-JTQLQIEISA-N 261.329 0.621 0 50 CCAA C[C@@H](Sc1ccccn1)C(=O)NCc1nc(=O)[nH][nH]1 216188142 GSIRVBCQAVYYBN-SSDOTTSWSA-N 279.325 0.290 0 50 CCAA C[C@@H](C(=O)O)N(C)C(=O)C1CCN(c2ncccn2)CC1 378177331 FITUMAQHXQMAAB-JTQLQIEISA-N 292.339 0.625 0 50 CCAA Cc1cc(CC(=O)N[C@H]2CCC(=O)N[C@@H]2C)n[nH]1 282114691 HDJIQCUFQULQJZ-SCZZXKLOSA-N 250.302 0.044 0 50 CCAA Cn1nccc1CCC(=O)N1CCOC[C@H]1CC(=O)O 263229354 AOXLDEIDOSJRFO-LLVKDONJSA-N 281.312 0.055 0 50 CCAA Cc1nc(O)ccc1C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 284754152 ODQVKPFSQJHTIQ-CHWSQXEVSA-N 291.351 0.641 0 50 CCAA COC[C@H]1CN(C(=O)c2cnnn2C)CC(C)(C)O1 284901569 BIIPNEQZRAXNJY-SECBINFHSA-N 268.317 0.081 0 50 CCAA CC(C)CN1CCC(CNC(=O)Cn2ccnn2)CC1 426545334 OYMIUUXAQRMQDO-UHFFFAOYSA-N 279.388 0.762 0 50 CCAA CCN1CCC[C@H](C(=O)NCCn2ccnn2)C1 426517565 JYYPRFQXRUGRSU-NSHDSACASA-N 251.334 0.126 0 50 CCAA C[C@@H](C(=O)NCC1(CN2CCOCC2)CC1)n1ccnc1 426424426 XZCYXBRDFFEQLC-ZDUSSCGKSA-N 292.383 0.673 0 50 CCAA O=C(N[C@@H](CO)C1CCOCC1)c1nc[nH]c2nccc1-2 613405795 ASHQKRCINSTQEY-NSHDSACASA-N 290.323 0.427 0 50 CCAA CCc1nc(C[C@@H]2CN(c3ccncn3)CCO2)no1 92107403 NBVAVULLUXAEPA-SNVBAGLBSA-N 275.312 0.870 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@]2(CC(=O)NN2)C1 238855646 SIIAYSUVISXCFX-LBPRGKRZSA-N 255.318 0.781 0 50 CCAA COCCN(C)CC(=O)NC1(CC(=O)O)CCCCC1 426544264 CEIXDHBFAJXVKI-UHFFFAOYSA-N 286.372 0.858 0 50 CCAA CCOC(=O)c1nc[nH]c1C(=O)NCc1ccon1 97785033 CMIQZKFAYNRKJY-UHFFFAOYSA-N 264.241 0.504 0 50 CCAA COc1ncc(C(=O)N[C@@H]2COCC[C@H]2OC)cn1 426360164 NEKPRZXRSUDWHW-NXEZZACHSA-N 267.285 0.019 0 50 CCAA CC(C)N1CCC(CC(=O)NCc2n[nH]c(N)n2)CC1 95507354 CVGFQBSWMBDMMO-UHFFFAOYSA-N 280.376 0.514 0 50 CCAA COCCn1cncc1CNC(=O)[C@H](C)n1cccn1 426439010 SADJSNRVRDZPMA-NSHDSACASA-N 277.328 0.603 0 50 CCAA CN(CCO)C[C@@H]1CN(Cc2cccc(F)c2)C[C@@H]1CO 91793556 GYODHWHZXJMNTJ-HUUCEWRRSA-N 296.386 0.790 0 50 CCAA CC(C)(C)OC(=O)N1CC(N2CCNC(=O)C2)C1 95743256 ZYOPXPCGSUAHOF-UHFFFAOYSA-N 255.318 0.038 0 50 CCAA O=C(CCCn1ccnc1)N1CCC2(CC1)[C@@H](O)C[C@H]2O 91694769 IEHZGFPVVWOCTL-BETUJISGSA-N 293.367 0.398 0 50 CCAA CC(C)CCN1CCN(C(=O)CN(C)C)C[C@H](C(=O)O)C1 97572277 ZMZPODWIIQHYES-CYBMUJFWSA-N 299.415 0.439 0 50 CCAA O=C1N[C@@H](C(=O)N2CCSCC2)Cc2ccccc21 97117708 WDRSQUWFHALVHM-GFCCVEGCSA-N 276.361 0.917 0 50 CCAA CN(CCn1ccnc1)Cc1nnc([C@H]2C[C@H](N)C2)n1C 244724146 MOMKROMMHGTGRH-HAQNSBGRSA-N 289.387 0.348 0 50 CCAA C[C@@H](OCC1CC1)C(=O)N1CCOC[C@@H]1C(=O)O 299748115 GCTZRIYTBIDHPL-PSASIEDQSA-N 257.286 0.114 0 50 CCAA CCOC1CN(C(=O)c2csc(NC(C)=O)n2)C1 295073955 YXJFEVJKHQZHJN-UHFFFAOYSA-N 269.326 0.962 0 50 CCAA CN1CC[C@@H](N(C)Cc2cnc(N(C)CC(=O)O)nc2)C1 534670862 LMRMAFOSINQZGF-GFCCVEGCSA-N 293.371 0.133 0 50 CCAA CCCCN1CCOC[C@@H]1C(=O)NCc1ccnc(C)n1 184293529 NCVDPBIBBFDIJW-CQSZACIVSA-N 292.383 0.902 0 50 CCAA CCn1ncc(C)c1NC(=O)CS(=O)(=O)CC 618442222 OPOZSUIDFLSHRR-UHFFFAOYSA-N 259.331 0.585 0 50 CCAA Cc1cc(C(F)(F)F)nc(CNC(=O)[C@@H]2C=CCN2)n1 534585445 KNTORCSTQXOAOV-QMMMGPOBSA-N 286.257 0.948 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)C1CCNCC1 534639366 DGQAAANAGCAUNL-STQMWFEESA-N 269.389 0.210 0 50 CCAA CCN1C[C@H](NC(=O)c2cncc(F)c2)[C@@H](OC)C1 534584237 SFNKGDJWTZUEMD-RYUDHWBXSA-N 267.304 0.670 0 50 CCAA c1c[nH]c(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 299776449 KVZZQKCQPFGQPQ-QWRGUYRKSA-N 260.301 0.347 0 50 CCAA CCc1cnc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)nc1 299797805 CMFJWXLGPXTMKG-STQMWFEESA-N 286.339 0.981 0 50 CCAA COC[C@H](C)C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1 299791770 FTMPSYXIBYFZSC-VIFPVBQESA-N 267.329 0.838 0 50 CCAA CC(C)CN1C[C@@H](c2ncnn2CCO)CC1=O 828778533 VAIRRAMUWLXTMQ-JTQLQIEISA-N 252.318 0.242 0 50 CCAA CN(Cc1nncn1C)C(=O)C[C@@H]1CCCOC1 584887132 IUVLSZOXNGRXKG-JTQLQIEISA-N 252.318 0.590 0 50 CCAA Cc1nc2c([nH]1)CN(C(=O)[C@H](C)N1CCCC1=O)CC2 584892871 BONNSTYLVWILNQ-VIFPVBQESA-N 276.340 0.614 0 50 CCAA Cc1nonc1CC(=O)N(C)C[C@H](C)N1CCOCC1 584890359 RENRRRBIAJXNIB-JTQLQIEISA-N 282.344 0.100 0 50 CCAA Cc1ccoc1C(=O)NC[C@@H]1CN(C)C(=O)CO1 670469527 HQMZOBGGFJSUPW-SECBINFHSA-N 252.270 0.175 0 50 CCAA Cc1cc(O)nc(CCNC(=O)[C@@H]2CCC[C@H](O)C2)n1 1074590723 LYYPAXPXBHEXEJ-MNOVXSKESA-N 279.340 0.700 0 50 CCAA COC[C@H]1[C@H](NC(=O)CCCc2cn[nH]c2)[C@H]2CCO[C@H]21 1074608554 BOQSFSPPNJXSIH-AYRXBEOTSA-N 293.367 0.899 0 50 CCAA O=C(O)[C@H]1[C@H](C(=O)Nc2nccs2)[C@H]2C=C[C@H]1O2 239339000 LOOXMJGTOKUUCL-WCTZXXKLSA-N 266.278 0.736 0 50 CCAA CC(C)C[C@H](N)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958528485 URGWVBNASKGPAC-PSIUFMSWSA-N 261.387 0.831 0 50 CCAA Cc1ccccc1S(=O)(=O)NC(=O)C1(C)COC1 408437579 XNBJFTLMSHUGGL-UHFFFAOYSA-N 269.322 0.836 0 50 CCAA O=C(C[C@@H]1CSCCN1)N(C[C@H]1CCCN1)C1CC1 186517595 RQFJIFMMEUVQKJ-VXGBXAGGSA-N 283.441 0.825 0 50 CCAA CCO[C@@H]1C[C@](O)(CNC(=O)c2cnn(C)c2)C1(C)C 191769521 BRTPGOMJJYMXJW-RISCZKNCSA-N 281.356 0.716 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)n1 1074545327 VLJAIEOGLQAZDU-IVZWLZJFSA-N 250.302 0.067 0 50 CCAA CCS(=O)(=O)c1ccccc1N1CC[C@H](C(N)=O)C1 195576171 BBZWSIFIPAZSLN-JTQLQIEISA-N 282.365 0.792 0 50 CCAA Cc1cc(C)n2nc(C(=O)N3CC4(CCOC4)C3)nc2n1 583775238 CBCMBLIIMBZIGH-UHFFFAOYSA-N 287.323 0.604 0 50 CCAA CCCn1nccc1C(=O)N[C@@]1(CC(=O)O)CCOC1 570410123 DTBZFCJMTKOIDB-CYBMUJFWSA-N 281.312 0.657 0 50 CCAA C[C@@H](CNC(=O)N[C@@H]1C[C@@H](C)n2ncnc21)N(C)C 661274174 FOHLHTXGZRGHPF-KXUCPTDWSA-N 266.349 0.533 0 50 CCAA N[C@H]1CN(S(=O)(=O)N2CCCC2)C[C@@H]1c1ccccc1 92066150 HATIVCBSIASAIJ-KGLIPLIRSA-N 295.408 0.754 0 50 CCAA c1c[nH]c(CN2CCN(C3CCOCC3)CC2)n1 97575136 VFUXRDMMKGRZGF-UHFFFAOYSA-N 250.346 0.706 0 50 CCAA CCc1c(C(=O)N[C@@H]2CCNC23CCC3)nnn1CC 1614994535 AISZTNQXCMRNSU-LLVKDONJSA-N 277.372 0.875 0 50 CCAA Nc1ccnc(N2CCC3(CCNC(=O)CC3)CC2)n1 1506416684 IFQZFSNNILCSMI-UHFFFAOYSA-N 275.356 0.946 0 50 CCAA CN(C)CCc1nnc(NC(=O)[C@@H]2CCOC2)s1 1506404519 YQYCYBHNFYERPK-MRVPVSSYSA-N 270.358 0.617 0 50 CCAA COCCN1CCC(CN(C)C(=O)[C@@H]2C=CCN2)CC1 1506403539 UDWKLYIJPNPJEL-AWEZNQCLSA-N 281.400 0.331 0 50 CCAA CC(C)[C@@H](O)C(=O)N(CCC(N)=O)CCc1ccccc1 1506425421 FSVDAWHMYOTQBX-OAHLLOKOSA-N 292.379 0.950 0 50 CCAA COC(=O)C1(C(=O)N2CC[C@@H](C)[C@H](OC)C2)CC1 342523419 URGCLBMZQPMJJW-NXEZZACHSA-N 255.314 0.823 0 50 CCAA CN(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)o1 1772702676 LAKKRSOIKBNMTP-UHFFFAOYSA-N 295.387 0.432 0 50 CCAA CC(=O)NCC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2)C1 12299513 NNKMRJBIOTVYEO-MRXNPFEDSA-N 293.411 0.847 0 50 CCAA COC(=O)[C@@]12CNC[C@@H]1CCN2C(=O)OC(C)(C)C 205362110 JLWQTCIZMBJTKI-TVQRCGJNSA-N 270.329 0.758 0 50 CCAA Cc1[nH]nc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)c1Cl 1857738999 IFILOZXZBXMUDB-SFGNSQDASA-N 298.774 0.963 0 50 CCAA O=C(N1CCCC1)[C@@]1(O)CCCN(Cc2cc[nH]c2)C1 335936966 GFZSIJXWFPNGBW-OAHLLOKOSA-N 277.368 0.964 0 50 CCAA O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 2848273 TUOSAPVMLPJDJW-LBPRGKRZSA-N 280.299 0.737 0 50 CCAA NC[C@H]1CN(C(=O)Cc2cccc3c2CCNC3)CCO1 638173361 WOFDVDPUTQRXNG-AWEZNQCLSA-N 289.379 0.061 0 50 CCAA CN(C)C(=O)CCN(C)C1CCN(c2cnccn2)CC1 331248171 QXQYFAPQLXAORB-UHFFFAOYSA-N 291.399 0.856 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1ccc2c(c1)OCO2 129388506 LHRFCCVVCNOEAZ-JTQLQIEISA-N 293.275 0.731 0 50 CCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)CO)C1)CC2 1704312636 GVZRQGHWJQXSMI-OAHLLOKOSA-N 290.367 0.341 0 50 CCAA CC(C)NC(=O)OC1CN(C(=O)c2cc(O)n(C)n2)C1 854472386 DDHJUVLYZIDEQY-UHFFFAOYSA-N 282.300 0.085 0 50 CCAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1nc[nH]n1 858008158 LRKXPJQXAZMTFV-VHSXEESVSA-N 290.327 0.436 0 50 CCAA CCOc1cccc(CC(=O)NC2(C)COC2)n1 870666409 WLDSRHSNKDRHNY-UHFFFAOYSA-N 250.298 0.928 0 50 CCAA CCOc1cc(N2CC(N3CCN(CC)CC3)C2)ncn1 952878104 YZFDWPBDIVMBGC-UHFFFAOYSA-N 291.399 0.701 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCCC[C@H](C)O)CC1 1875365608 FXACWVIUWGRCSO-NSHDSACASA-N 268.357 0.688 0 50 CCAA COCC(C)(C)C(=O)N=c1nc[nH]n1-c1ncccn1 1875303060 SWXIHTQVTIZFLL-UHFFFAOYSA-N 276.300 0.090 0 50 CCAA CNC1CC(C(=O)NCCN2CCOC(C)(C)C2)C1 888096754 PJGUEUIDQUTTAK-UHFFFAOYSA-N 269.389 0.211 0 50 CCAA C[C@H](NC(=O)Cn1cc(Br)cn1)C(=O)O 261537685 WDMDLBUMMFFIOA-YFKPBYRVSA-N 276.090 0.235 0 50 CCAA OC[C@@H]1COCCN(c2nccc(C(F)(F)F)n2)C1 95355167 BBJXFLKCWRIAMM-MRVPVSSYSA-N 277.246 0.941 0 50 CCAA C[C@@H](NC(=O)[C@]12CNC[C@@]1(F)CCOC2)c1ccon1 2325792116 BAJOKSPVEMLEQL-WQAKAFBOSA-N 283.303 0.570 0 50 CCAA C[C@]1(C(=O)NC2(c3nn[nH]n3)CCC2)CCCS1 2325806769 FQSZNITUASVMFZ-SNVBAGLBSA-N 267.358 0.981 0 50 CCAA Cn1ncc2c(N)nc(N3C[C@H]4C[C@@H](N)C[C@H]3C4)nc21 900442937 XQYLDBPVGXZQQK-DJLDLDEBSA-N 273.344 0.262 0 50 CCAA CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@H]1O2 245623703 CFUQTAAKCYZQAS-YVECIDJPSA-N 266.341 0.824 0 50 CCAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1ncc[nH]1 2356157372 HVGRUIWSDNPXLT-CQSZACIVSA-N 278.356 0.359 0 50 CCAA COc1ccc2oc(=O)c(C(=O)NCCO)cc2c1 2998893 HEQVOQKBGYERCZ-UHFFFAOYSA-N 263.249 0.524 0 50 CCAA O=c1[nH]c(=O)c2c(I)cccc2[nH]1 26894333 JOWFYZSYJYZBRN-UHFFFAOYSA-N 288.044 0.821 0 50 CCAA N[C@H]1C[C@@H](C(=O)NCC(=O)NCCc2ccccc2)C1 517031450 CDHVJGFYYVJODH-BETUJISGSA-N 275.352 0.199 0 50 CCAA CCN1CCC[C@@](C)(C(=O)NCCCn2cncn2)C1 65529204 KHDXJEXFBOFXAO-CQSZACIVSA-N 279.388 0.906 0 50 CCAA O=C1CC[C@]2(CCCN(c3ncccn3)C2)CN1CCO 77407687 PINPGTGVDHZJPC-OAHLLOKOSA-N 290.367 0.678 0 50 CCAA O=C(CCC(=O)N1CCC[C@](O)(CO)C1)c1ccccc1 72128152 CVIRJJDABKHMMM-MRXNPFEDSA-N 291.347 0.995 0 50 CCAA CN1C(O)=N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)CC[C@@H]21 329148993 YPNWWQQOXHYATQ-QCNOEVLYSA-N 263.341 0.861 0 50 CCAA Cc1c(Cl)c(C(=O)N2CCOC[C@H](O)C2)nn1C 77440672 DRNJGUMTFZAHAP-MRVPVSSYSA-N 273.720 0.215 0 50 CCAA NC(=O)C1(C(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)CC1 218963877 GCJKRBVFOBREBC-NEPJUHHUSA-N 296.367 0.342 0 50 CCAA COc1ccc2[nH]nc(C(=O)N3CCOC[C@H](O)C3)c2c1 77376732 NZENNHUAOMZCHM-SECBINFHSA-N 291.307 0.405 0 50 CCAA COc1coc(C(=O)N2CCO[C@H](C)C2)cc1=O 357848846 AVETVYGJKWHDHK-MRVPVSSYSA-N 253.254 0.509 0 50 CCAA CCOC(=O)c1nccn1CCCc1nnn[nH]1 72170589 LBOWGCCYJARXBE-UHFFFAOYSA-N 250.262 0.206 0 50 CCAA Cn1nnnc1SCCn1cnc2sccc2c1=O 32565220 MBAFNAMFHMDBBK-UHFFFAOYSA-N 294.365 0.774 0 50 CCAA CC[C@H](COC)NC(=O)N1CC(=O)N(C2CC2)C1 331753977 HTMTVGCTLDMHMO-SECBINFHSA-N 255.318 0.385 0 50 CCAA CN(Cc1n[nH]c2c1CCC2)C[C@]1(O)CCNC1 77538404 PCEDBDTUMGSZTD-ZDUSSCGKSA-N 250.346 0.055 0 50 CCAA Cn1cnc2c(C(=O)N3C[C@H](O)C4(CC4)C3)ccnc21 377333373 IRWYKNNNXPYJJM-JTQLQIEISA-N 272.308 0.565 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)C(=O)O 263345524 YWKQJDSJJWIIBV-UTLUCORTSA-N 259.302 0.502 0 50 CCAA CCNC(=O)N1CCC(NC(=O)CCn2cccn2)CC1 223919796 IAHJYLXWOZIFSS-UHFFFAOYSA-N 293.371 0.583 0 50 CCAA Cc1nccnc1C(=O)NC[C@@H]1CCc2nccn2C1 613727679 JBHANSSFENRVMU-NSHDSACASA-N 271.324 0.974 0 50 CCAA CC(C)n1cncc1CN1CCN(CCO)CC1 90237118 YCZHWKVTNBYQSY-UHFFFAOYSA-N 252.362 0.574 0 50 CCAA COCc1nc(-c2nc3c([nH]2)CCCNC3=O)no1 95510899 FTDSJCNRIIROQY-UHFFFAOYSA-N 263.257 0.282 0 50 CCAA Cc1cnc(N2CC[C@](C)(O)[C@@H](O)C2)nc1N(C)C 96141852 CABXQTFPIOETTD-GWCFXTLKSA-N 266.345 0.173 0 50 CCAA C[C@@H](CN1CCc2[nH]nc(C(=O)O)c2C1)N1CCOCC1 244719132 LXRZCEWGNHPRKP-JTQLQIEISA-N 294.355 0.187 0 50 CCAA Cc1nc(NCCn2cnnc2)cc([C@H]2C[C@@H](O)C2)n1 252550384 SMZFILCRNKTRPL-PHIMTYICSA-N 274.328 0.727 0 50 CCAA COCCn1cnnc1CN(C)C[C@@H]1CCCN1C 252488298 IORKNGMVJJRMMN-LBPRGKRZSA-N 267.377 0.451 0 50 CCAA CN(C)CCN1CCC(NC(=O)c2cncnc2)CC1 273713650 LDQOMOAPLWCZDR-UHFFFAOYSA-N 277.372 0.232 0 50 CCAA CC(C)(CN1CCOCC1)N[C@@H]1CCNC(=O)CC1 828305652 QQIWAUJWTKRCNN-LBPRGKRZSA-N 269.389 0.356 0 50 CCAA CC(C)C1=NO[C@H](C(=O)NCCc2cn[nH]c2)C1 827791971 NBIMOSLTQZJBIG-NSHDSACASA-N 250.302 0.869 0 50 CCAA C[C@@H](CN(C)C(=O)Cn1nnc2c1CCCC2)C(=O)O 585134730 HWTNKMXXNSPIRD-VIFPVBQESA-N 280.328 0.336 0 50 CCAA CSCCN1CCN(C(=O)C[C@H](C)NC(C)=O)CC1 584892054 AXMNGNJERDKYGQ-NSHDSACASA-N 287.429 0.408 0 50 CCAA O=C([C@H]1CCCCn2nnnc21)N1CCc2nocc2C1 584894673 MRVPVDZVFGEKHA-JTQLQIEISA-N 288.311 0.514 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N 584891242 AKWRPCBWRDOVAD-QNWHQSFQSA-N 299.440 0.440 0 50 CCAA Cc1nc(CN(C)C[C@@H]2CC(=O)N(C)C2)n(C)c1C 584890802 JIMHYKSIHDPIGU-LBPRGKRZSA-N 264.373 0.947 0 50 CCAA Cc1nonc1CNC(=O)CCc1c(C)n[nH]c1C 584901155 STCGPWYVGUPZCB-UHFFFAOYSA-N 263.301 0.967 0 50 CCAA CN(C)Cc1ccc(C(=O)NCc2nc(O)n[nH]2)o1 670434356 WAPHDGJHQPEJMG-UHFFFAOYSA-N 265.273 0.095 0 50 CCAA COc1nc(N2CCC3(CC2)CNC(=O)O3)ncc1F 670469379 ZWRKXIAHYBQKSE-UHFFFAOYSA-N 282.275 0.703 0 50 CCAA COC[C@H]1[C@H](NC(=O)CCc2cc(O)no2)[C@H]2CCO[C@H]21 1074620575 AASDNLQXGMYDNG-RDBQEKCUSA-N 296.323 0.479 0 50 CCAA Cc1nc([C@@H]2CCN(C(=O)C3(C)COC3)C2)n[nH]1 1336521685 QGGZPAYAUYKRBY-SECBINFHSA-N 250.302 0.466 0 50 CCAA COc1ccc(CC(=O)N2CC[C@@H](N)C2)cc1F 132222699 HUPZVBPYFDEBHL-SNVBAGLBSA-N 252.289 0.936 0 50 CCAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NC[C@@H]1CC1(C)C 408427083 ZEAKWJUOLPOYMR-KXUCPTDWSA-N 253.346 0.856 0 50 CCAA O=C(O)[C@@H]1CC[C@@H]1S(=O)(=O)N[C@H]1CC=CCC1 1465111116 SDHBOLCTEWPMAE-AEJSXWLSSA-N 259.327 0.878 0 50 CCAA CN1CCCN(c2cc(-n3cccn3)nc(N)n2)CC1 271334179 SAUQJQQOFLAIKJ-UHFFFAOYSA-N 273.344 0.386 0 50 CCAA Cc1c(CNC(=O)c2cc(F)cnc2O)cnn1C 585114167 XLEWMMAAXUSEMD-UHFFFAOYSA-N 264.260 0.898 0 50 CCAA COc1ccc(CCS(=O)(=O)c2nnc[nH]2)cc1 195579513 YZVQDBDKWXGFGL-UHFFFAOYSA-N 267.310 0.830 0 50 CCAA N[C@@H]1Cc2ccccc2N(C(=O)c2cnc3n2CCOC3)C1 659324808 LDQVJUCBZHZHFF-GFCCVEGCSA-N 298.346 0.944 0 50 CCAA CNS(=O)(=O)N[C@]1(C)CCCC[C@H]1C(=O)O 1610147335 PLKIYBPVISTZEX-IONNQARKSA-N 250.320 0.074 0 50 CCAA O=C(Cn1cc2ccccc2n1)N1C[C@H](O)[C@@H](F)C1 1615751331 GOLHHDSNANLKCQ-JQWIXIFHSA-N 263.272 0.578 0 50 CCAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCCC1 100623582 OAEWNMZGCXRUSP-XRRVDJEJSA-N 276.336 0.640 0 50 CCAA CN(Cc1ccc2ncccc2c1)C(=O)[C@@H](N)CO 1506408270 CZHOCPCINVARBO-LBPRGKRZSA-N 259.309 0.513 0 50 CCAA O=C(c1cncc(N[C@@H]2CCOC2)n1)N1CCCC1 1529171777 BDAOCSGFLKFGEW-SNVBAGLBSA-N 262.313 0.913 0 50 CCAA NNS(=O)(=O)c1ccc(Br)cc1 265640 UXGNIMVLJMBZGY-UHFFFAOYSA-N 251.105 0.601 0 50 CCAA in-vitro COCCOC[C@H]1CCN(C(=O)[C@@](C)(O)C2CC2)C1 240412668 FNQVTLWPBPJPNB-FZMZJTMJSA-N 271.357 0.659 0 50 CCAA COCCN(C)CC(=O)NCc1[nH]nc2ncccc12 1772804241 JZXKCFUJALCPOY-UHFFFAOYSA-N 277.328 0.152 0 50 CCAA CCS(=O)(=O)N[C@H]1CCCc2nc(N(C)C)ncc21 12053162 OKQALBSNXHPUSL-NSHDSACASA-N 284.385 0.859 0 50 CCAA COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccnc1 13125288 RVDMSDFVRKXALC-JTQLQIEISA-N 272.268 0.530 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@@H]1CC[C@@H](N)C1 237135029 MHMVVWLYQPOHRT-GHMZBOCLSA-N 253.346 0.195 0 50 CCAA Cn1cc([C@]2(C)CN(C(=O)[C@H]3CCCCN3)CCO2)cn1 237714340 AXLZDFUKMWSYDO-HIFRSBDPSA-N 292.383 0.636 0 50 CCAA CC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(=O)O 2560342 ZXOMLJGTABQBQW-QMMMGPOBSA-N 260.290 0.491 0 50 CCAA in-vitro Cc1cc(CC(=O)N2CCC[C@H]([C@H](C)N)C2)n[nH]1 237416524 DEIFLYUUNKZWNV-QWRGUYRKSA-N 250.346 0.846 0 50 CCAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1CCCNC1)CC2 246538842 GJPVDTJKWPXDNM-MELADBBJSA-N 296.411 0.765 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N[C@@H]1C[C@@H]2COC[C@@H]21 1875277151 AEOUJYGNFAHTOM-HRDYMLBCSA-N 280.353 0.994 0 50 CCAA NC/C=C/C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O 1875337962 KQDYIOYBXFFNHP-QGQQYVBWSA-N 279.384 0.941 0 50 CCAA CCCN(C)CC(=O)N1CCC2(CC1)C[C@@H](O)CCO2 886113180 MGQJSSKUGCXMOR-ZDUSSCGKSA-N 284.400 0.861 0 50 CCAA Cc1nccn1CCCC(=O)N(C1CC1)[C@@H]1COC[C@H]1O 1775999386 QGUSZNDWOSSVLH-ZIAGYGMSSA-N 293.367 0.722 0 50 CCAA O=C1[C@H](C(=O)N2CC3(C2)N=N3)CCCN1CC(F)(F)F 1775993492 ZYQCIGPSRDQVSB-SSDOTTSWSA-N 290.245 0.792 0 50 CCAA C[C@@H](C(=O)NC(N)=O)N1CCO[C@H](c2cccs2)C1 157710650 AXIVDMSXLFPBSE-IUCAKERBSA-N 283.353 0.705 0 50 CCAA C[C@@H](CN(C(=O)c1cccn(C)c1=O)C1CC1)C(=O)O 262982348 RGYJAJANBFWMBL-VIFPVBQESA-N 278.308 0.711 0 50 CCAA O=C(CN1CCC2(CC1)OCCO2)Nc1nccs1 51537049 DKQRVMHHPNYINR-UHFFFAOYSA-N 283.353 0.921 0 50 CCAA C[C@@]1(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)CCCOC1 408164460 LXBDWRJGNGUQST-CMPLNLGQSA-N 290.385 0.083 0 50 CCAA CCOC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)O)o1 261782392 JQCMWKKAYWLBBW-UHFFFAOYSA-N 291.281 0.161 0 50 CCAA COc1ccc(S(=O)(=O)N[C@@H]2CC23CCNCC3)cn1 647303434 ZASLNFDSYCBJGM-LLVKDONJSA-N 297.380 0.511 0 50 CCAA CC(C)NCC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 582797568 VAOBQFWQKGDQNI-CYBMUJFWSA-N 253.346 0.113 0 50 CCAA COC(=O)CN(C#N)c1nc(SC)nc(N(C)C)n1 114181 AQJLSGTWGFCXLG-UHFFFAOYSA-N 282.329 0.120 0 50 CCAA aggregator Cc1[nH]nc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)c1C 659780222 QEQUHJPUTDQJHX-NOZJJQNGSA-N 279.296 0.200 0 50 CCAA NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 266494 WVJHNSPIODGZJK-UHFFFAOYSA-N 258.241 0.154 0 50 CCAA COc1ccc(C(=O)NN2C(=O)CCC2=O)cc1OC 304983 BZJFRLWHHZSAFM-UHFFFAOYSA-N 278.264 0.498 0 50 CCAA Cc1nc(N2C[C@H]3COC[C@@H](C2)C(=O)N3)nc(C)c1C 2356158832 BIHGPDHAYYSSPI-NEPJUHHUSA-N 276.340 0.353 0 50 CCAA Cc1ccc2c(c1)/C(=C1/NC(=S)NC1=O)C(=O)N2 100291128 LAMQCFGZZNMIOI-HJWRWDBZSA-N 259.290 0.663 0 50 CCAA CC(C)CN[C@@H]1CCC(=O)N[C@H]1c1cncn1C 343398330 XISYQWSBGYZHPL-ZWNOBZJWSA-N 250.346 0.985 0 50 CCAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)N(C)[C@@H](C)C2CC2)C1 229310629 TYWBKDYJKFBBMN-GVXVVHGQSA-N 289.445 0.891 0 50 CCAA C[C@H]1C=C[C@@]2(O)C(=O)OC[C@@H]2CC2(C1)OCCO2 38777507 JQHYAFOOPPKHKF-KWBADKCTSA-N 254.282 0.620 0 50 CCAA Cc1csc([C@H](C)NC(=O)CN(C)CCO)n1 215943331 LWUAXPMJEQEPLL-VIFPVBQESA-N 257.359 0.553 0 50 CCAA O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@@H]1CCCS1 328617387 CQPSQAZVMWSFIY-ZJUUUORDSA-N 266.370 1.252 0 50 CCAA O=c1c(NC[C@@H]2CCc3nccn3C2)nccn1C1CC1 328642231 YHWBIVJUUWPOBP-NSHDSACASA-N 285.351 1.449 0 50 CCAA CC(=O)N[C@@H]1CCCN(Cc2cnn(C)c2C)C1 121458530 ONQHMXWGRPZEAQ-CYBMUJFWSA-N 250.346 0.829 0 50 CCAA Cc1nc2c(NC(=O)C[C@H]3COCCN3)cccn2n1 72169321 JBPVQUKKZLHOEN-JTQLQIEISA-N 275.312 0.355 0 50 CCAA Cc1ccc2c(n1)OCCN2S(=O)(=O)c1ccnn1C 253417703 AYVHHYCVLYIESM-UHFFFAOYSA-N 294.336 0.711 0 50 CCAA CN1CC[C@](O)(CNC(=O)Cc2c[nH]c3ncccc23)C1 358067451 PPPLRUCXFDFDKA-HNNXBMFYSA-N 288.351 0.288 0 50 CCAA Cc1c(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)nnn1C 262406793 OVZOIESREZZXDX-VWYCJHECSA-N 292.339 0.981 0 50 CCAA CCN(C(=O)c1cccnc1OC)[C@H]1COC[C@@H]1O 218919985 KLXSCANEBSKJBU-QWRGUYRKSA-N 266.297 0.312 0 50 CCAA CNC[C@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1 237236603 GKIDDSOJNXWHEN-LLVKDONJSA-N 263.345 0.366 0 50 CCAA C[C@@H](O)[C@H]1CN(c2cc(NC3CC3)ncn2)CCO1 334124713 OFOFTZTXIIITIN-MWLCHTKSSA-N 264.329 0.637 0 50 CCAA CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H](C(=O)O)C1 263290901 MEFFKQNKFUMITC-AXFHLTTASA-N 297.355 0.548 0 50 CCAA Cc1cc(C)n(CCCC(=O)N2CCC[C@](O)(CO)C2)n1 199774108 YJHDZQVMPSZCHN-OAHLLOKOSA-N 295.383 0.626 0 50 CCAA Cc1nc2ccccn2c1CC(=O)NCCCc1nn[nH]n1 426690280 KPUGPKSUEOORBN-UHFFFAOYSA-N 299.338 0.447 0 50 CCAA CCOCCNC(=O)Cn1ccc([C@H]2CCCNC2)n1 426711290 JXZRITXSJHQHKQ-LBPRGKRZSA-N 280.372 0.503 0 50 CCAA CN(C)S(=O)(=O)CCCN1CC(C)(C)[C@@](C)(O)C1 91626287 XAKNRUOUPGAWOQ-LBPRGKRZSA-N 278.418 0.361 0 50 CCAA O=C(NS(=O)(=O)C[C@H]1CCCO1)C1CCCC1 180212714 SAUTWUGUHNOQIM-SNVBAGLBSA-N 261.343 0.802 0 50 CCAA CN1CCCC[C@@H]1CN1CCc2c(c(CO)nn2C)C1 252482290 DCKJBLZQDRVZQP-GFCCVEGCSA-N 278.400 0.755 0 50 CCAA COc1cc2c(cc1CNC(=O)[C@@H]1C=CCN1)OCCO2 534659547 PGQYPXXEGCMSEI-NSHDSACASA-N 290.319 0.611 0 50 CCAA CN1CCN(CC(=O)NCC[C@H]2CCCCN2)C1=O 534673842 TWQHEJPJKUCCEA-LLVKDONJSA-N 268.361 0.002 0 50 CCAA Cc1noc([C@H](C)NC(=O)c2ccc3nnnn3c2)n1 531562457 YOQCHTRABONOTI-LURJTMIESA-N 273.256 0.307 0 50 CCAA CCc1nc(C)c(C(=O)N[C@H]2COC[C@@H]2OC)o1 294534506 CSVBAEHFXDQBLV-IUCAKERBSA-N 254.286 0.689 0 50 CCAA Cn1c(CN2CCNC(=O)[C@H]2CCO)nc2ccccc21 299763130 GTZBRNNNTMHSLR-CYBMUJFWSA-N 288.351 0.256 0 50 CCAA CC(=O)N1CCC(CNC(=O)c2n[nH]nc2C)CC1 299762990 FKCXCHKNEIBMJK-UHFFFAOYSA-N 265.317 0.101 0 50 CCAA Cn1c(O)nnc1CCNc1ncnc2[nH]ccc12 825629905 IVQBYFPRONPZNH-UHFFFAOYSA-N 259.273 0.447 0 50 CCAA Cc1nnc(CN2CCC3(CC2)CN(C)C(=O)CO3)o1 823754129 PTDYXPIPIDNCEB-UHFFFAOYSA-N 280.328 0.201 0 50 CCAA CN(C)CCN1CC(=O)N[C@@H](C2CCCCC2)C1=O 670455113 GYJPFAGKRDPWBA-ZDUSSCGKSA-N 267.373 0.455 0 50 CCAA NC(=O)C1(NC(=O)c2ccc(N)nc2)CCCCCC1 584897672 KGKOXYHVZRMHFV-UHFFFAOYSA-N 276.340 0.972 0 50 CCAA Cc1ncn(CCNC(=O)CCc2cnn(C)c2)c1C 670470074 HRRUABTXIWJTSG-UHFFFAOYSA-N 275.356 0.982 0 50 CCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccsc1 1074560125 RDFJTDJFSZLBSP-GHYVTOPFSA-N 294.376 0.699 0 50 CCAA Cc1cccc2nc(N3CC4(C[C@@H](O)CNC4=O)C3)oc12 1548522949 HKBWAHOFZLOYGU-SNVBAGLBSA-N 287.319 0.823 0 50 CCAA Cc1nc(CN(C)[C@@H](C)C(=O)N2CCCC2)no1 243957181 CHEXOIPFAMDNAG-VIFPVBQESA-N 252.318 0.821 0 50 CCAA CCOC[C@@H]1CCCN1C(=O)CN1CCN(CC)CC1 952969770 QGIKLEWRRWNBGI-AWEZNQCLSA-N 283.416 0.651 0 50 CCAA CCc1nc(C)ccc1OCC(=O)N[C@H]1COCC[C@@H]1O 1565517058 HATVFJCXUPQXJZ-STQMWFEESA-N 294.351 0.597 0 50 CCAA Cc1cnc(C(=O)N[C@H]2CCC(=O)N(C)C2)c(O)c1 407999210 VDGSLCZOJDICPP-VIFPVBQESA-N 263.297 0.446 0 50 CCAA O=C(c1snc(O)c1Cl)N1CCN(CCO)CC1 407995193 HCGORBYCHXOERP-UHFFFAOYSA-N 291.760 0.252 0 50 CCAA Cc1c[nH]cc(C(=O)N2CCCO[C@@H](C)C2)c1=O 408169636 SBAOBAAXGGASGL-JTQLQIEISA-N 250.298 0.934 0 50 CCAA Cc1ccc(O)c(CN2CC[C@@](O)(Cn3ccnn3)C2)n1 671491547 YZEUGLCJCVUSMB-AWEZNQCLSA-N 289.339 0.324 0 50 CCAA NC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc(F)cc1 647737399 VCENUKPRTATMIQ-BBBLOLIVSA-N 280.255 0.189 0 50 CCAA CC[C@H](C)[C@@H](CN(C)C)N=c1[nH]ccn2cnnc12 585092264 METVXYLHCPXFCV-WDEREUQCSA-N 262.361 0.934 0 50 CCAA CN1CCC2(CC1)CN(Cc1ccnn1C)CCN2C 1506418205 FOHPNSQLCKNHIR-UHFFFAOYSA-N 277.416 0.632 0 50 CCAA CCc1ncc(S(=O)(=O)N2C[C@H](O)[C@@H](OC)C2)s1 1615204969 VOGMEKRCYPPYJT-YUMQZZPRSA-N 292.382 0.086 0 50 CCAA NC(=O)c1ncc(NC(=O)C[C@@H]2CCCO2)s1 906147309 NDURTVKDQZFZDP-LURJTMIESA-N 255.299 0.750 0 50 CCAA CO[C@H]1CN(CC(=O)NCC2CCCCC2)C[C@@H]1O 1506411245 OVTNSIBUIMWJJW-STQMWFEESA-N 270.373 0.374 0 50 CCAA CO[C@@H]1CCNC[C@@H]1NC(=O)/C=C/c1cc(CO)cs1 1506429679 TVCYQRNNDZUWHB-OUDYMMNNSA-N 296.392 0.747 0 50 CCAA O=C(c1ccco1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529154101 HHKRRSPQVLFIJS-ZYHUDNBSSA-N 273.292 0.745 0 50 CCAA CNC(=O)[C@H]1CCN(S(=O)(=O)CCC2CCCC2)C1 333520546 KOZNSVJNTYJLPV-LBPRGKRZSA-N 288.413 0.964 0 50 CCAA Cn1ccnc1CNS(=O)(=O)C1(C(F)F)CC1 1875290682 WUIOONHVLMUVAQ-UHFFFAOYSA-N 265.285 0.637 0 50 CCAA CN1CCC2(CC1)CN(C(=O)C[C@@H]1CCCN1C)CCO2 1772807989 DPPWRRPHDOHXAO-AWEZNQCLSA-N 295.427 0.794 0 50 CCAA CO[C@@H]1C[C@@H](C(=O)NCCc2cccnc2)CC[C@H]1N 1857729768 SHZIOGAETVOGHQ-BFHYXJOUSA-N 277.368 0.883 0 50 CCAA O=C(CCCc1ccccc1)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875244576 OOHPQJGCCUGNRW-RRCSTGOVSA-N 291.347 0.653 0 50 CCAA Cn1cc(CNCC2(N3CCOCC3)CCCCC2)nn1 608053209 WMGHWKLPAQYRPB-UHFFFAOYSA-N 293.415 0.940 0 50 CCAA C[C@@H]1CNCCN1C(=O)CCOc1ccc(C(N)=O)cc1 125168575 NOFCVMIYKSAPKX-LLVKDONJSA-N 291.351 0.375 0 50 CCAA Cc1ccc(C(=O)N2CCC[C@](O)(CC(N)=O)C2)cn1 643995570 KIPCSGSICKWIOL-AWEZNQCLSA-N 277.324 0.233 0 50 CCAA Cn1nnc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=N)O)n1 333368683 YQELFHCKXDRWPK-QXFUBDJGSA-N 250.306 0.346 0 50 CCAA O=S(=O)(NCCO)c1cccc(Br)c1 12471882 QRDZBHKLJOEWGW-UHFFFAOYSA-N 280.143 0.720 0 50 CCAA in-vitro CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)CO)C1)CC2 1704312635 GVZRQGHWJQXSMI-HNNXBMFYSA-N 290.367 0.341 0 50 CCAA CC[C@H]1C(=O)NCCCN1CC(=O)Nc1cc(C)on1 933225201 OHCKSFCHSIZQNW-JTQLQIEISA-N 280.328 0.522 0 50 CCAA Cc1nonc1CC(=O)N1CCOC[C@@]1(C)C1CC1 890591472 PULPOLYUZZVFEQ-ZDUSSCGKSA-N 265.313 0.948 0 50 CCAA Cc1cnc(S(=O)(=O)CCNC(=O)C2CC2)c(C)c1 899503280 KMCRDMNNDFXDHZ-UHFFFAOYSA-N 282.365 0.998 0 50 CCAA CCNc1ccnc(N(C)C[C@H]2COCCO2)n1 65496335 DTOFAOSFEUJSPD-JTQLQIEISA-N 252.318 0.760 0 50 CCAA CCc1nnc(CN(CC)[C@@H]2CCS(=O)(=O)C2)o1 77407303 DQUJJPDRBIHVCR-SECBINFHSA-N 273.358 0.641 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)c2cccn2C)C1 630249499 NIVCDFCCDKDKSC-LBPRGKRZSA-N 252.270 0.341 0 50 CCAA CCn1ncc(CN2CCC[C@]2(COC)C(=O)O)n1 818629851 NDMGLKITUMSUKN-LBPRGKRZSA-N 268.317 0.364 0 50 CCAA CN(CC[C@H]1CCS(=O)(=O)C1)Cc1nncn1C 823719805 DDYDOYRABHZTOF-JTQLQIEISA-N 272.374 0.072 0 50 CCAA O=C1C[C@@H](C(=O)c2ccccc2)NC(N2CCOCC2)=N1 537348 YWIOGFILGCKFLV-LBPRGKRZSA-N 287.319 0.446 0 50 CCAA Cc1nc(N(CCC(N)=O)CCC(N)=O)sc1C 2207909 PWHCWNBFWZBNMZ-UHFFFAOYSA-N 270.358 0.317 0 50 CCAA CSC(C)(C)[C@H](N)C(=O)N1CCc2c(O)ncnc2C1 2356155124 XZCUDDNNIZKAPX-SNVBAGLBSA-N 296.396 0.536 0 50 CCAA CCC1=NO[C@H](CNC(=O)c2cnn3ccn(C)c23)C1 65387787 NFXRBKNACMIOIY-JTQLQIEISA-N 275.312 0.958 0 50 CCAA CCCOCCNC(=O)C1=C(C)NC(=O)N[C@@H]1C 67820850 FEHIZNDPRITSHA-MRVPVSSYSA-N 255.318 0.505 0 50 CCAA Cc1cc(C[C@@H](C)NC(=O)C2=NNC(=O)CC2)[nH]n1 67713097 QBIBEILPNJRMAO-SSDOTTSWSA-N 263.301 0.031 0 50 CCAA CN1CCN(C(=O)[C@@H]2CC(c3ccccc3O)=NO2)CC1 20220091 XHCHTYIGXHTGNS-AWEZNQCLSA-N 289.335 0.659 0 50 CCAA Cc1noc(-c2ccnc(NCc3n[nH]c(=O)[nH]3)c2)n1 301800598 WBTFBUFBYYZCNR-UHFFFAOYSA-N 273.256 0.464 0 50 CCAA CCn1ccc(C(=O)NCCCN2CCN(C)CC2)n1 216066802 CFZOXPFHVJOLDG-UHFFFAOYSA-N 279.388 0.270 0 50 CCAA COc1cc2c(cc1CN1CCC[C@@](O)(CO)C1)OCO2 72481609 BOFXDUXKJBZTBA-HNNXBMFYSA-N 295.335 0.743 0 50 CCAA CCCc1n[nH]c([C@@H]2CN([C@H]3C[C@H](C)OC3=O)CCO2)n1 257366192 MRMJXHPGQSICRV-DCAQKATOSA-N 294.355 0.835 0 50 CCAA CCn1nccc1S(=O)(=O)N[C@H]1CC12CCNCC2 368313084 BDUYOMAYTVVCSV-JTQLQIEISA-N 284.385 0.323 0 50 CCAA CC(=O)NC[C@@H]1CN(C(=O)C2C=CC=CC=C2)CCO1 242324500 ZBUDGFUTSPEXAB-CQSZACIVSA-N 276.336 0.648 0 50 CCAA O=C1CCc2ccc(NC(=O)[C@H]3COCCO3)cc2N1 172658820 OEYCHJKXKIKFPZ-GFCCVEGCSA-N 276.292 0.925 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCNCC2)n(C)n1 82098981 GGSJIMQYUPPBAA-UHFFFAOYSA-N 250.346 0.664 0 50 CCAA NC(=O)[C@@H]1C[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(F)cc12 227298819 JACIUIAJEKEHKA-CCUNJIBTSA-N 289.310 0.943 0 50 CCAA O=C(c1ccno1)N1CCCN(c2ncccn2)CC1 221227508 DXHWVOSAAXXVLI-UHFFFAOYSA-N 273.296 0.817 0 50 CCAA CCc1nccn1CCNC(=O)[C@H](C)NC(=O)OC 223300794 UVBTZWFNGGEWPG-VIFPVBQESA-N 268.317 0.306 0 50 CCAA Cc1nn(C)c(Cl)c1CN1C[C@H](F)C[C@H]1C(N)=O 284718443 SECKHGBHBVMQQZ-APPZFPTMSA-N 274.727 0.780 0 50 CCAA CC(C)c1nc(CN2CCO[C@H](C)[C@H]2C(N)=O)no1 285237244 QFDOLIXJQMZOOB-SCZZXKLOSA-N 268.317 0.268 0 50 CCAA CC(=O)N1CCO[C@@H](CNC(=O)c2cncc(F)c2)C1 426547586 HKJCNVJHJMCWSQ-LBPRGKRZSA-N 281.287 0.198 0 50 CCAA Cc1nc(CNC(=O)[C@H]2COc3ccccc3C2)cc(=O)[nH]1 95530365 TYPMCVWRELQDPH-GFCCVEGCSA-N 299.330 0.946 0 50 CCAA O=C(N[C@@H]1CCCNC1)c1ccc(-n2cnnc2)nc1 97213113 SBTUEPUCIURVIO-LLVKDONJSA-N 272.312 0.144 0 50 CCAA CC(C)(C)c1nnc(NCc2c[nH]c(=O)[nH]c2=O)o1 95374087 XECCVKVKUSWIOY-UHFFFAOYSA-N 265.273 0.356 0 50 CCAA CC(C)C(=O)Nc1cccc(C(=O)NCc2nnn[nH]2)c1 95148308 YFOANGKMRNYMAB-UHFFFAOYSA-N 288.311 0.724 0 50 CCAA O=C(CCn1cnnn1)N1CCO[C@H](c2ccccc2)C1 524734063 SLYZHTGHHMCCNM-ZDUSSCGKSA-N 287.323 0.663 0 50 CCAA CO[C@@H]1CN(c2nnc(C)c(C)n2)C[C@H]1c1cnn[nH]1 621337319 VDEJILLLKLGXOE-GXSJLCMTSA-N 275.316 0.225 0 50 CCAA COc1cncc(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)n1 625422992 BICGMILOPYDFLE-JSGCOSHPSA-N 292.383 0.780 0 50 CCAA Cc1cccnc1NCCNC(=O)N1CCC[C@@H]1C(N)=O 534663376 FCVIEHGNNWIECF-LLVKDONJSA-N 291.355 0.461 0 50 CCAA O=C(CCc1ccncc1)N[C@H]1COC[C@@H]1N1CCCC1 299799844 UHRABYCVKXGWMM-GJZGRUSLSA-N 289.379 0.994 0 50 CCAA CC(C)C(=O)N1CCC[C@H](NC(=O)c2cnc[nH]2)C1 299755838 DJTXQQRBOQDPAV-JTQLQIEISA-N 264.329 0.787 0 50 CCAA CC(C)S(=O)(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 828248169 QCEHJCHMBVKROM-SNVBAGLBSA-N 276.402 0.961 0 50 CCAA COCCc1nc(CNC(=O)c2cnc(C)nc2)no1 824462614 UTGSUOBXUCTBBV-UHFFFAOYSA-N 277.284 0.287 0 50 CCAA CCCn1cnnc1[C@@H](C)NC(=O)CN1CCOCC1 584895754 BQYXTCPODKHRIX-LLVKDONJSA-N 281.360 0.198 0 50 CCAA CN(CCS(C)(=O)=O)C[C@@H]1CCN(C)C1(C)C 823689981 IUPVHLNKSIILRQ-NSHDSACASA-N 262.419 0.693 0 50 CCAA CCc1noc(CCNC(=O)[C@@H]2CCCN2C(C)=O)n1 584886130 XQBUJRPUJKMDMZ-JTQLQIEISA-N 280.328 0.302 0 50 CCAA Cc1nn(C)cc1CN(C)CC(=O)Nc1ccn(C)n1 670471480 MEQOLSUYNPLMQF-UHFFFAOYSA-N 276.344 0.533 0 50 CCAA O=C(NC[C@@H]1CNCCO1)c1nc2c(s1)CCCC2 952990758 YAUJCPNIICGQKH-VIFPVBQESA-N 281.381 0.740 0 50 CCAA CO[C@H]1CN(C(=O)CN2CCCCCC2)C[C@@H]1O 952968062 AHYWRMKVTHEQFB-RYUDHWBXSA-N 256.346 0.081 0 50 CCAA Nc1ncc(/C=C/C(=O)N2CCCN3CCC[C@H]3C2)cn1 952983777 RINQJMZLIDVERR-IHVVCDCBSA-N 287.367 0.769 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C(=O)c1ccco1 1565513343 CZQWUDZDDSADBH-UKKREREHSA-N 278.308 0.296 0 50 CCAA COC(=O)[C@H]1[C@H](O)CCCN1Cc1c(C)noc1C 189543383 AEEXXMACJRUQQZ-VXGBXAGGSA-N 268.313 0.790 0 50 CCAA O=C(c1csnn1)N(C[C@@H]1CCCN1)C1CC1 190738672 PGHIKMDIIDTZBP-QMMMGPOBSA-N 252.343 0.895 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C)C(=O)C1 190818429 AIDWAEOVIJAMBE-QWRGUYRKSA-N 254.330 0.492 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(F)c[nH]1 644059772 FCDJFANPXIJYTM-LBPRGKRZSA-N 269.276 0.260 0 50 CCAA CC1=CCCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2C)C1 644455426 QVUPETALFFXDMJ-GFCCVEGCSA-N 286.397 0.284 0 50 CCAA O=C(O)CC1CCN(C(=O)[C@@H](O)c2cccnc2)CC1 738562186 OLSUKNOREFASQK-ZDUSSCGKSA-N 278.308 0.828 0 50 CCAA NCc1ccc(NC(=O)C2(n3cnnn3)CC2)cc1 659307193 LTSPILSBWWLNEO-UHFFFAOYSA-N 258.285 0.260 0 50 CCAA C=CC(=O)Nc1cccc(C(=O)N2CCOC[C@H]2CO)c1 912430900 SMUZAUDHLXJWPD-CYBMUJFWSA-N 290.319 0.644 0 50 CCAA Cc1cccc(=O)n1CCC(=O)N1C[C@H](O)[C@@H](F)C1 1616123596 QYFYPUSUXSHKRA-QWRGUYRKSA-N 268.288 0.088 0 50 CCAA CCc1cnc(N2CCN(C)[C@@H](C(=O)O)C2)nc1 216481927 UFUYATLAKXQIAY-SNVBAGLBSA-N 250.302 0.244 0 50 CCAA CN(C)C(=O)[C@@H]1CN(c2ccncc2F)CCO1 1506396900 PBSPEBULNGIYBD-NSHDSACASA-N 253.277 0.514 0 50 CCAA CCCc1ncncc1C(=O)N1CC[C@@](O)(CC)[C@@H](O)C1 222528156 NQLMTCBWUMXPEF-ZFWWWQNUSA-N 293.367 0.777 0 50 CCAA O=C1CC[C@H](C(=O)NCc2ccc(C(=O)O)cc2)CN1 123004178 CLZHLCFHNYBKAJ-NSHDSACASA-N 276.292 0.527 0 50 CCAA O=C([C@@H](O)c1ccccc1F)N(CCO)Cc1ncc[nH]1 1772700708 GPXKQIAKBRKZNK-ZDUSSCGKSA-N 293.298 0.603 0 50 CCAA O=C(O)[C@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C[C@@]23C=C[C@H]1O3 169619528 ZIXZUJGRFYPACJ-QDWKJQELSA-N 279.292 0.032 0 50 CCAA biogenic O=C(c1cnsc1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857699474 VKYUXCMMBWJUSK-GXFFZTMASA-N 295.364 0.246 0 50 CCAA CNc1ncccc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](C)CN2C1 1857724778 CGBNOBRJLWGTNE-TUAOUCFPSA-N 290.367 0.715 0 50 CCAA N[C@H]1CC[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)CO3)C1 216569389 QFRCRGWTXRUFAV-QWRGUYRKSA-N 289.335 0.556 0 50 CCAA Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)[C@@H](C)O)ccc12 2517193 OIZVQDJSQAAKEU-OQPBUACISA-N 276.292 0.748 0 50 CCAA in-vitro NCCOc1ccc(NC(=O)[C@H]2CCC(=O)NC2)cc1 122479832 QYLAQHCAZGYAQW-JTQLQIEISA-N 277.324 0.489 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 239254653 YOOFQLMTHFOERW-ZHPDPMBESA-N 275.260 0.646 0 50 CCAA in-vitro CCc1c(C(=O)N2CCN3C(=O)OC[C@H]3C2)ccn1C 496208545 SKNDEDBNKNGZHJ-SNVBAGLBSA-N 277.324 0.864 0 50 CCAA Cc1cc(Cn2nnc(C(C)(C)S(C)(=O)=O)n2)ccn1 901748383 HRIHIEGRLWWTQV-UHFFFAOYSA-N 295.368 0.705 0 50 CCAA C[C@H]1CN(C(=O)c2cc(C(=O)O)nn2C)c2ccnn2C1 902701434 MBEIWNNHNGURNQ-QMMMGPOBSA-N 289.295 0.611 0 50 CCAA CNc1ncc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)s1 907520747 ZKIGZIHFVUSFIK-NXEZZACHSA-N 298.412 0.712 0 50 CCAA C[C@H](O)c1cc(NC(=O)c2nnn(C)n2)ccc1F 908177287 HJICRFSVNXCGEE-LURJTMIESA-N 265.248 0.655 0 50 CCAA Cc1nc2sccn2c1C(=O)N1CC[C@H](CO)[C@H](O)C1 861271799 QIUGRIGTZOPHSE-NXEZZACHSA-N 295.364 0.520 0 50 CCAA Nc1ncnc2c1ncn2CCNC(=O)[C@H]1CCCCO1 862973978 ACPWADSPHJIPOZ-SECBINFHSA-N 290.327 0.094 0 50 CCAA OC[C@]1(O)CCCN(c2[nH]cnc3nc(Cl)cc2-3)C1 865870409 UETKDPBZAZYTRV-LBPRGKRZSA-N 282.731 0.887 0 50 CCAA CC(C)Oc1ccnc(Cn2cc(C(N)=O)nn2)c1 1875282308 XCWKHYVJJWDIFK-UHFFFAOYSA-N 261.285 0.608 0 50 CCAA Cn1cc([C@@H]2CCO[C@@H]2C(=O)NOCC2CC2)cn1 1875272554 DVICTFKELVZDOY-RYUDHWBXSA-N 265.313 0.750 0 50 CCAA O=C([C@H]1CSCCS1)N1CCCc2nn[nH]c21 1875263900 YOUOPJDQLRPWFY-MRVPVSSYSA-N 270.383 0.933 0 50 CCAA CC(=O)N[C@@H]1CCCN(C(=O)/C=C/CN2CCCC2)C1 1875338055 MTWYGRITVIOSFV-HZRUHFOJSA-N 279.384 0.766 0 50 CCAA C[C@H]1CN(C(=O)[C@@H]2Cc3ccc(O)cc3CN2)CCN1 1875338109 NVEDHSQVOAEENO-HZMBPMFUSA-N 275.352 0.227 0 50 CCAA Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)O 1875310942 HJNBJQWEQZWJIF-HDYISPSHSA-N 289.335 0.749 0 50 CCAA O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1C[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875342864 KPNZATZETDKEIG-MGCVZZNDSA-N 289.331 0.572 0 50 CCAA CO[C@@H]1CN(Cc2cc[nH]c2)C[C@H]1c1cn(C)nn1 886094079 RBUINGDJLJPUQQ-WCQYABFASA-N 261.329 0.758 0 50 CCAA Cc1noc(C)c1CCCNC(=O)N1CCOCCN1 893534080 HIRYYNLVHXBJFI-UHFFFAOYSA-N 282.344 0.770 0 50 CCAA O=C(CN1CCCCC1=O)Nc1n[nH]c2ccnc(O)c12 1775985493 YPGRQKRAGRVMIJ-UHFFFAOYSA-N 289.295 0.615 0 50 CCAA COC[C@H](O)CNCCc1ccc(OC)c(OC)c1 44125362 VOYCIJVEWNMLON-GFCCVEGCSA-N 269.341 0.843 0 50 CCAA CN1CCC(O)(CNc2nccnc2C(=O)O)CC1 700898857 UMUXBXDCKYYXQV-UHFFFAOYSA-N 266.301 0.043 0 50 CCAA O=C(NCCN1CCCOC1=O)[C@@H]1CCCNCC1 534582472 XSMRCSTUDGVYDQ-LLVKDONJSA-N 269.345 0.335 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1cc(C)nn1C 643848356 BIDLWRPZLMKUPD-ZDUSSCGKSA-N 281.312 0.434 0 50 CCAA CNC[C@@H]1CCCN1c1ccc(S(N)(=O)=O)cc1 133322182 BVLBFZSXKJZIBJ-NSHDSACASA-N 269.370 0.522 0 50 CCAA CCOC(=O)C1CCN(C(=O)N2CCOCC2)CC1 30264 OSXVJVBFSUICNL-UHFFFAOYSA-N 270.329 0.714 0 50 CCAA CC(=O)N[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(F)cc2)C1 222040097 ZEAJEMZCYHCQEC-ZIAGYGMSSA-N 293.342 0.953 0 50 CCAA C[C@@H]1C(=O)NCCN1C(=O)CCC1CCNCC1 113214380 JSRYKNVZENLFCU-SNVBAGLBSA-N 253.346 0.113 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](n2cc(CN(CC)CC)nn2)CN1 67773561 SCRYSJQNQVQTSC-OLZOCXBDSA-N 294.403 0.159 0 50 CCAA Cn1nnc2c1C[C@@H](C(=O)N1CCC[C@H]1CF)CC2 329302212 NHQOFJQFPDTMCR-UWVGGRQHSA-N 266.320 0.881 0 50 CCAA O=C([C@H]1CCCN1)N1CCN(c2ccncc2)CC1 216095424 LIUWGNICQXAKMY-CYBMUJFWSA-N 260.341 0.482 0 50 CCAA C[S@](=O)C1(CNS(=O)(=O)CC2CCC2)CC1 328611948 OWSUEPDPWMBYLA-HNNXBMFYSA-N 265.400 0.617 0 50 CCAA CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1ccnn1C 129739170 WOGMTJKQTUUJGU-QMMMGPOBSA-N 275.330 0.294 0 50 CCAA CC1(C)CN(C(=O)c2cnn[nH]2)C[C@]2(CCOC2)O1 330066226 SQUSOGDWQFZNFT-LBPRGKRZSA-N 266.301 0.215 0 50 CCAA CCc1ccccc1OCC(=O)N[C@H]1CCC(=O)NC1=O 152180534 QZHYVFDOUSTKHW-NSHDSACASA-N 290.319 0.549 0 50 CCAA N=c1ccnc(CN2CCCC[C@@H]2CN2CCCC2=O)[nH]1 366690155 ONEDEBNKVPEYHO-GFCCVEGCSA-N 289.383 0.866 0 50 CCAA CN1CC[C@@H](C(=O)N2CCOCC(F)(F)C2)CC1=O 335918483 DKOZPHWRSKSWRZ-SECBINFHSA-N 276.283 0.349 0 50 CCAA Cn1cc(S(=O)(=O)N2CCCNCC2)nc1Cl 237801496 PBZZJBNRMONLTC-UHFFFAOYSA-N 278.765 0.058 0 50 CCAA O=C(N[C@H]1[C@@H]2CNC[C@@H]21)N1CCCN(C2CCCC2)CC1 335302648 JQUVAKLHYXHILF-FICVDOATSA-N 292.427 0.864 0 50 CCAA COCCn1cnnc1CNC(=O)N1CCCO[C@H](C)C1 426503493 LJGUQJBPLMNVFH-LLVKDONJSA-N 297.359 0.245 0 50 CCAA CC1(C)CN(C(=O)c2cc(CO)ccn2)CCO1 221220021 WOKOKHXPRGKWSJ-UHFFFAOYSA-N 250.298 0.825 0 50 CCAA C[C@H](c1nnnn1C)n1ccc(C(F)(F)F)cc1=O 289513595 COTZLIOMHNWJAY-ZCFIWIBFSA-N 273.218 1.000 0 50 CCAA COc1ncc(C(=O)N(C)C[C@@H]2CCCO2)cn1 426693727 LMMRYEBLINHMKZ-JTQLQIEISA-N 251.286 0.736 0 50 CCAA CCS(=O)(=O)CCNC(=O)c1cnc2ccnn2c1C 97831078 VFHASOFFHZDTCO-UHFFFAOYSA-N 296.352 0.202 0 50 CCAA CC(=O)NCC1CCN(C(=O)c2cncnc2C)CC1 92046799 JZVBVSGDWYOFCN-UHFFFAOYSA-N 276.340 0.773 0 50 CCAA C[C@H]1CN(c2ncnc(-n3cccn3)c2N)C[C@@H](C)N1C 292819064 OTXGNIOXEIXYQQ-PHIMTYICSA-N 287.371 0.773 0 50 CCAA Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(CO)O1 245226598 GECUPEFDFNABPH-IATRGZMQSA-N 285.299 0.800 0 50 CCAA Cc1cc(C)n2nc(CC(=O)NCc3ccccn3)nc2n1 344944553 FFESZUXCUUIDDD-UHFFFAOYSA-N 296.334 0.995 0 50 CCAA C[C@H](c1cnccn1)N1CCN(c2cnn(C)c2)C(=O)C1 184605533 PZHPCXJOPIGJHC-LLVKDONJSA-N 286.339 0.620 0 50 CCAA Cc1ncc(C(=O)NC2CCN(CCN(C)C)CC2)cn1 299763035 XZNFRJXWJDVOQA-UHFFFAOYSA-N 291.399 0.541 0 50 CCAA CCS(=O)(=O)NC[C@H](C)NCc1csc(N)n1 823412755 RFCJPIUDHGLGDN-ZETCQYMHSA-N 278.403 0.143 0 50 CCAA C[C@@H](C(=O)N(C)CC1(CO)CCCC1)N1CCN(C)CC1 584899785 HJGCZSUCZNDCPQ-AWEZNQCLSA-N 297.443 0.633 0 50 CCAA COc1cccc2ncn(C[C@@H]3CCNC[C@H]3O)c(=O)c12 670456508 MTZAORVGCPFYRP-CMPLNLGQSA-N 289.335 0.376 0 50 CCAA CCc1nc(CN(C)Cc2cn(CCO)nc2C)no1 670460659 FUFORYSPXXLPKG-UHFFFAOYSA-N 279.344 0.761 0 50 CCAA CCc1nccn1CC(=O)N1C[C@H]2CCN(C)[C@H]2C1 1076029721 AHEPDQKXTDIATE-NEPJUHHUSA-N 262.357 0.608 0 50 CCAA CNC(=O)[C@@H]1CCCN1C(=O)C[C@](C)(O)C1CC1 407997104 MRWNCRWVMYYUOA-GWCFXTLKSA-N 254.330 0.275 0 50 CCAA CCc1cc(N2CCC[C@](O)(CN(C)C)C2)ncn1 631344539 RQVVUOBSKROIRT-AWEZNQCLSA-N 264.373 0.932 0 50 CCAA CO[C@]1(C)C[C@H](N(C)C(=O)CCc2nn[nH]n2)C1(C)C 631571108 YMDICMCRKMXORL-TVQRCGJNSA-N 281.360 0.794 0 50 CCAA C[C@@H]1CO[C@H](CO)CN1C(=O)Cc1cnn2c1CCCC2 631877319 BSWSTVCLDRWXQH-YPMHNXCESA-N 293.367 0.370 0 50 CCAA Cc1cc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)ccn1 279455202 MKPXBEDMVXYRHC-LLVKDONJSA-N 297.380 0.401 0 50 CCAA Nc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cc1 650191068 YKLHSJYBGXALMZ-IGQOVBAYSA-N 292.360 0.843 0 50 CCAA CN(Cc1nnc(O)o1)C(=O)c1ccc2nc(O)[nH]c2c1 673479053 SKVXXSZXMZCMBT-UHFFFAOYSA-N 289.251 0.629 0 50 CCAA O=C(Cn1cncn1)N1CC(c2nc3ccccc3[nH]2)C1 675828263 OHJMHPARXHKEJN-UHFFFAOYSA-N 282.307 0.780 0 50 CCAA c1cn(C[C@@H]2CN(CCO[C@@H]3CCCCO3)CCO2)nn1 585115972 BVJHDNWSDSNERO-UONOGXRCSA-N 296.371 0.522 0 50 CCAA O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H]1C(F)(F)F 585125735 DISXNYPAFJOAPQ-HTRCEHHLSA-N 287.259 0.168 0 50 CCAA O=C(c1ccnc2[nH]cnc12)N1CC[C@@H](c2nc[nH]n2)C1 1638589735 OQQMDVYPBPIGOX-MRVPVSSYSA-N 283.295 0.706 0 50 CCAA O=C1CO[C@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]2N1 1615591351 VOEKGOVWDXWXAU-YUMQZZPRSA-N 284.699 0.663 0 50 CCAA CN1C(=O)NCC12CN(C(=O)c1cccn1C1CC1)C2 1857676389 RTZYXZCSWKTODD-UHFFFAOYSA-N 274.324 0.673 0 50 CCAA CN1CCC(O)(C(=O)N(C)CCN(C)C2CCCC2)CC1 1506399699 PNDDBPSETTVQEZ-UHFFFAOYSA-N 297.443 0.776 0 50 CCAA O=S1(=O)CC[C@H](N(Cc2nnnn2C2CC2)C2CC2)C1 109767681 AJVBBBZHRIGIMP-NSHDSACASA-N 297.384 0.160 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)C3(C)CC3)C[C@H]2O)n[nH]1 1529169031 QSZNOJJUFIDQSN-ZYHUDNBSSA-N 263.341 0.880 0 50 CCAA Cc1ccc(CC(=O)N2CCO[C@H](C(=O)O)C2)s1 237668749 QJEOUXUJQXGOIY-JTQLQIEISA-N 269.322 0.911 0 50 CCAA Cc1cc(=O)oc2ccn(CC(=O)NC(C)C)c(=O)c12 1547139627 WFRWKSZPEHEWOX-UHFFFAOYSA-N 276.292 0.788 0 50 CCAA O=C1NCCC[C@]12CN(Cc1cnsc1)CC[C@H]2O 1857685245 FJPBFOGNLKQFOE-DGCLKSJQSA-N 281.381 0.606 0 50 CCAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1CC[C@@H](O)[C@H](N)C1 1857734675 ZOMJDSLQRKBODS-IACUBPJLSA-N 294.399 0.564 0 50 CCAA C[C@@H](C(=O)N(C)CCN(C)C1CC1)N1CCOCC1 328592814 CAKWVHTYZITVSF-LBPRGKRZSA-N 269.389 0.260 0 50 CCAA COc1ccnc(CN2CCC[C@](O)(CC(N)=O)C2)c1 643805654 PBUQSAGKIBOJEX-AWEZNQCLSA-N 279.340 0.293 0 50 CCAA C[C@@H]1CN(CCNC(=O)c2nc[nH]c3nccc2-3)CCO1 667815664 YSAGUPQIHXTQSY-SNVBAGLBSA-N 289.339 0.360 0 50 CCAA Cc1cccc(-c2noc(Cn3ncn(C)c3=O)n2)c1 154054586 YJOIQNRWPTVTDX-UHFFFAOYSA-N 271.280 0.989 0 50 CCAA CC[C@@H]1OCC[C@H]1C(=O)NCc1cc(C(N)=O)co1 803127691 NVWNVARTGKDOLT-MNOVXSKESA-N 266.297 0.810 0 50 CCAA Oc1ccc2c(c1)CN(C[C@@H](O)C1(O)CCC1)CCO2 931064057 KWHSSTOIVFGQSQ-CQSZACIVSA-N 279.336 0.863 0 50 CCAA C=CC(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 863971532 XOCMXHMNIYDDBI-VIFPVBQESA-N 251.307 0.860 0 50 CCAA CCn1cc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)cn1 864274052 UCQMFYGLDXNKLA-GFCCVEGCSA-N 295.339 0.760 0 50 CCAA C[C@@H](O)CNS(=O)(=O)c1cccc2ccn(C)c12 952992434 DSPMEKHWYMBMPI-SECBINFHSA-N 268.338 0.837 0 50 CCAA Cc1cc(S(=O)(=O)NC2(C)CC2)ccc1-n1cnnn1 1875259299 LHIWHHQFCKETGM-UHFFFAOYSA-N 293.352 0.802 0 50 CCAA O[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@H]1F 1875281822 ZHKGRYFQJVPOOI-NXEZZACHSA-N 254.309 0.519 0 50 CCAA C[C@H](NC(=O)c1n[nH]c(=NC2CC2)o1)c1nccn1C 1875282106 NDSNEDUCFFIVOP-ZETCQYMHSA-N 276.300 0.290 0 50 CCAA C[C@H]1CCC[C@@]1(NC(=O)/C=C/CN(C)C)C(N)=O 1875375372 BDSQWHGZSSRNJO-QYAHAEFKSA-N 253.346 0.265 0 50 CCAA C[C@@H]1C[C@H](C(=O)Nc2cnc(N3CCNCC3)nc2)CO1 1875315460 WCYAKFQZWWQUIK-MNOVXSKESA-N 291.355 0.250 0 50 CCAA CCc1cc(N2CC3(CNC(=O)O3)C2)nc(CC)n1 894251685 PIFKUFJNGGNNFL-UHFFFAOYSA-N 262.313 0.900 0 50 CCAA O=C([C@H]1CCCCN1)N1CCC[C@@H](n2cncn2)C1 158812312 HVCPRUIUAFEKIZ-VXGBXAGGSA-N 263.345 0.584 0 50 CCAA CO[C@H](C(=O)N[C@H](C(=O)O)c1ccnn1C)C1CCC1 663062365 XVXOYVDMECMOIE-QWRGUYRKSA-N 281.312 0.477 0 50 CCAA CN(C[C@H]1COCCO1)C(=O)CC1CCNCC1 534637811 NKMMWFDQZJMOJN-LBPRGKRZSA-N 256.346 0.250 0 50 CCAA C[C@]1(O)CCCN(CCC(=O)N2CCOCC2)CC1 366339769 MCTOKRLRVVBBRV-AWEZNQCLSA-N 270.373 0.472 0 50 CCAA C[C@H]1COCCN(S(=O)(=O)c2ncn(C)c2Cl)C1 378264233 XAQFGIJTOQTCEB-MRVPVSSYSA-N 293.776 0.731 0 50 CCAA CC(C)n1cnnc1CN1C[C@H](O)[C@@H](N2CCCC2)C1 670465110 MRBRXIJQVDJOKW-STQMWFEESA-N 279.388 0.500 0 50 CCAA O=C(O)c1cn([C@@H]2CCN(c3nccs3)C2)nn1 910315894 QINOTTFWSUIKGB-SSDOTTSWSA-N 265.298 0.884 0 50 CCAA CCn1nnnc1NCc1ccc2c(c1)n(C)c(=O)n2C 8340087 RSXIVKGCSPCBJS-UHFFFAOYSA-N 287.327 0.496 0 50 CCAA CCOC(=O)CON1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100697625 TYVSSPFEEBZLAP-MPKXCIJOSA-N 265.265 0.288 0 50 CCAA COCc1cc(CNC(=O)CCN2CCCCO2)n[nH]1 55403975 KGDJCEYQGYSGHH-UHFFFAOYSA-N 282.344 0.590 0 50 CCAA CN(C[C@H](O)C(F)(F)F)S(=O)(=O)C[C@H]1CCCO1 245872337 LOWPCGFDEGECEQ-SFYZADRCSA-N 291.291 0.350 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 21983993 CXJROCRSZVELMK-VIFPVBQESA-N 258.318 0.711 0 50 CCAA COC[C@H]1CCN(C(=O)c2ccc(C)[nH]c2=O)C1 20271891 KLVFZTZRQQYLAN-JTQLQIEISA-N 250.298 0.792 0 50 CCAA COC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 31949785 YFMBSJZZOLRNRV-ZDUSSCGKSA-N 259.309 0.974 0 50 CCAA Cn1c(CCC(=O)N[C@H]2CC[C@H]2N)nc2cccnc21 72135206 SUNXRKARGXWHCF-ZJUUUORDSA-N 273.340 0.507 0 50 CCAA Oc1ncnc2c(I)cnn12 36468678 RMTOJUXMHWGEHX-UHFFFAOYSA-N 262.010 0.435 0 50 CCAA Cc1cc(NC[C@@H](O)CN2CCCC2)n2nccc2n1 72436703 AVPFBHNSNJKJNJ-GFCCVEGCSA-N 275.356 0.906 0 50 CCAA Cc1nnc(SCCNC(=O)c2c[nH]nn2)s1 72138819 MRLHKUBVPWKTDO-UHFFFAOYSA-N 270.343 0.487 0 50 CCAA CCc1c(C)nn(CC(=O)N[C@H]2CCN(C)C2=O)c1C 219902156 CJUHQZVWEYARGC-LBPRGKRZSA-N 278.356 0.409 0 50 CCAA NC(=O)[C@H]1CSCCN1Cc1nnc2n1CCCCC2 369745797 QVCKNKRWVIURLJ-SNVBAGLBSA-N 295.412 0.407 0 50 CCAA C[C@H]1OCC[C@@H]1S(=O)(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 333037878 DMNMPVANBZTQCM-WYUUTHIRSA-N 289.397 0.850 0 50 CCAA CCC[C@H](C)N1C[C@H](C(=O)N(C)CCC(=O)O)CC1=O 262733104 CLHCSJHHCBTVSK-WDEREUQCSA-N 284.356 0.957 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2cnn3ccccc23)CCO1 72433444 WQYRXLRBNVIZEK-LLVKDONJSA-N 275.264 0.260 0 50 CCAA Cc1nonc1CC(=O)N(C)CCN1CCCCC1=O 219246696 CVRUWEIMKUBNJM-UHFFFAOYSA-N 280.328 0.391 0 50 CCAA CN(C)c1cccc(C(=O)NCc2nc(C(N)=O)no2)c1 223792164 STCMQLUEOLGYNM-UHFFFAOYSA-N 289.295 0.165 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCC[C@H](CCC(=O)O)C1 426621651 MBVGIRLZVBITSR-SECBINFHSA-N 266.301 0.830 0 50 CCAA CCn1ncnc1[C@@H](C)NC(=O)c1cn(C)c(C)cc1=O 426370139 UITBBPPAGIGQKQ-SNVBAGLBSA-N 289.339 0.796 0 50 CCAA Cc1nc([C@@H](C)NC(=O)Cn2cnnn2)c(C)s1 223227700 XLALDZVFNKTATE-ZCFIWIBFSA-N 266.330 0.624 0 50 CCAA CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)O)n2)cc1 148203302 ARWHXWAXGYWCLW-UHFFFAOYSA-N 293.304 0.828 0 50 CCAA CN1CCC[C@]2(CCN(C(=O)c3ccnc(N)c3)C2)C1=O 91493291 PAIZRWKSEUXSQG-OAHLLOKOSA-N 288.351 0.748 0 50 CCAA COC(=O)[C@@H](C)NC(=O)Cn1ncc2ccccc2c1=O 252496945 PWEGHOKRRZUDFU-SECBINFHSA-N 289.291 0.074 0 50 CCAA C[C@H](c1cnn(C)c1)N(C)C(=O)[C@H]1COCCO1 182621908 BNKQFNUHJBAJEG-MWLCHTKSSA-N 253.302 0.355 0 50 CCAA Cc1ccnc(CNC(=O)[C@@H]2CCCCn3nnnc32)c1 534654512 VLOCHERLOKPLCJ-GFCCVEGCSA-N 286.339 0.960 0 50 CCAA CCn1nccc1S(=O)(=O)NC[C@@H](C)n1cc(C)cn1 534590885 QMOJIHVLEYLIJW-LLVKDONJSA-N 297.384 0.947 0 50 CCAA C[C@@H](CCNC(=O)c1csc(N)n1)N1CCN(C)CC1 534635217 IJSFGYFCQLXWGP-JTQLQIEISA-N 297.428 0.481 0 50 CCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cccc(O)n1)CC2 299786103 VWUSUUNCRLEJBO-ITDIGPHOSA-N 292.335 0.932 0 50 CCAA CC[C@@]1(O)CCCN(C(=O)c2cncc(=O)[nH]2)C1 584892936 AEMXZDAYNDCTLI-GFCCVEGCSA-N 251.286 0.147 0 50 CCAA O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@H]1CNCCO1 584903744 GQQYWLDBARZZBJ-LLVKDONJSA-N 287.323 0.076 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)NCCc1ncnn1C 670473645 FZZCBBUWGRPTNG-UHFFFAOYSA-N 290.371 0.457 0 50 CCAA CN(CC[S@](=O)O)S(=O)(=O)c1ccc(F)cc1 675060471 ZFJIITKIVJZOGP-UHFFFAOYSA-N 281.330 0.668 0 50 CCAA CC(=O)N1CCC[C@H](C(=O)NC2CCOCC2)C1 685945188 MOSWQVSQNIVQLI-NSHDSACASA-N 254.330 0.540 0 50 CCAA Cc1ccccc1S(=O)(=O)N1CC[C@H](O)[C@@H](O)C1 828895248 OILMAZBFWYZHGW-QWRGUYRKSA-N 271.338 0.111 0 50 CCAA CCc1csc(N2CC3(C[C@@H](O)CNC3=O)C2)n1 1354266315 KGRUMAMUOLTVEC-SECBINFHSA-N 267.354 0.393 0 50 CCAA CCc1[nH]nc2c1CN(C(=O)[C@@H](C)Cn1cncn1)CC2 952987327 LKECIRJXCLCJGT-JTQLQIEISA-N 288.355 0.785 0 50 CCAA CSc1ccccc1C(=O)NC[C@]1(O)CCNC1 244723871 MJBOODQQZCJGBB-ZDUSSCGKSA-N 266.366 0.863 0 50 CCAA CN(C)CCO[C@H]1COCC[C@@H]1NC(=O)c1cccnc1 1565529914 IVYWXCJLEMYFNF-KBPBESRZSA-N 293.367 0.547 0 50 CCAA CO[C@H]1CN(C(=O)c2nc[nH]c3nccc2-3)[C@@](C)(CN)C1 630378469 WKSIQEPCDLUSNK-YMTOWFKASA-N 289.339 0.488 0 50 CCAA O=C(NC[C@@H]1CCc2nccn2C1)[C@H]1CCCOC1 276282042 NAQRNQPRCRZZFA-RYUDHWBXSA-N 263.341 0.988 0 50 CCAA Cc1cc2c(N3CCC[C@](O)(CC(N)=O)C3)nccn2n1 643713500 VXASCNLFFLZYBR-AWEZNQCLSA-N 289.339 0.244 0 50 CCAA CN(C)CC1(O)CCN(c2nc(C(=O)O)co2)CC1 710625607 CKFONERZHFCIGQ-UHFFFAOYSA-N 269.301 0.266 0 50 CCAA CO[C@H]1COCC[C@@H]1CN1C(=O)NC2(CCCC2)C1=O 569823652 LFAVBCUHBVVLCB-MNOVXSKESA-N 282.340 0.903 0 50 CCAA O=C(NCCc1nc(=O)o[nH]1)[C@@H]1CCc2cccnc21 1645859143 HVWDJGDGOHBBEJ-SECBINFHSA-N 274.280 0.147 0 50 CCAA NCC[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)cn2)C1 1647239094 VPRDHHBEBLOVGU-JTQLQIEISA-N 276.340 0.382 0 50 CCAA NC(=O)C[C@@H]1CCN(C(=O)c2c[nH]c3ncccc23)C1 1647208239 ZSVNQFNLRYDOOH-VIFPVBQESA-N 272.308 0.900 0 50 CCAA O=C(NCc1ccco1)C(=O)Nc1nccs1 2367179 BFOIUKJBSQHYRK-UHFFFAOYSA-N 251.267 0.991 0 50 CCAA Cn1nc(O)c2c1CN(CCC1(O)CCC1)CC2 931193729 LOPWBBJPPXRAHU-UHFFFAOYSA-N 251.330 0.789 0 50 CCAA Oc1cc(N2C[C@@H](O)[C@H](Cc3ccncc3)C2)ncn1 1704310497 YTGMLYNRFZBYHQ-VXGBXAGGSA-N 272.308 0.617 0 50 CCAA Cc1cc(S(=O)(=O)N2CCO[C@H]([C@H](C)N)C2)c(C)o1 252585633 JZOXVOLPDPCBLZ-ONGXEEELSA-N 288.369 0.633 0 50 CCAA CC(C)N(CC(=O)O)S(=O)(=O)N1C[C@H]2CC[C@H]1C2 262362203 CXXIVHOXJVUNBC-UWVGGRQHSA-N 276.358 0.511 0 50 CCAA CCc1nc(CN(C)C[C@H]2CCC(=O)N(C)C2)no1 1775978896 XIMBICNZZJGUFJ-SNVBAGLBSA-N 266.345 0.932 0 50 CCAA CCN1CCn2c(nnc2-c2cc(C)n(C)n2)C1=O 1772815094 IREUJCATRVFGNI-UHFFFAOYSA-N 260.301 0.463 0 50 CCAA CC(=O)N1CCCN(C[C@H]2CCC(=O)N(C)C2)CC1 1775977430 JCIMDUNNAYRFLM-ZDUSSCGKSA-N 267.373 0.409 0 50 CCAA CC(C)(C)n1cc(CNC2(CO)CCOCC2)nn1 232528011 RNVNNOGBJCAOIL-UHFFFAOYSA-N 268.361 0.664 0 50 CCAA NC(=O)CCCn1cc(-n2ccnc2[C@H]2CCOC2)cn1 1857693804 NLHCDYLMUPYBND-NSHDSACASA-N 289.339 0.838 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)c1ccc3cc[nH]c3c1)C2 1857720833 MSWZIGHTBJICGM-OLZOCXBDSA-N 299.330 0.755 0 50 CCAA C[C@@H]1OCCN(C(=O)CNc2ccccc2C(N)=O)[C@@H]1C 253407727 INCVTVBDYQOYPZ-MNOVXSKESA-N 291.351 0.833 0 50 CCAA CCC[C@@H](C)CS(=O)(=O)N1CCC[C@H]1C(N)=O 245289977 GLHAJIDYPDMEGQ-ZJUUUORDSA-N 262.375 0.702 0 50 CCAA CN(C[C@H]1CCCO1)C(=O)[C@H](NC(N)=O)C(C)(C)C 253404912 VUMUOBKILQEIMY-ZJUUUORDSA-N 271.361 0.707 0 50 CCAA Cn1nnc2cc(C(=O)N3C[C@@H](F)C[C@H]3CO)ccc21 366666452 SRXRSPQGZAXKJI-UWVGGRQHSA-N 278.287 0.513 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H]1CCc2nc(C)ncc2C1 858330306 OHULXKUGLLGEIE-GFCCVEGCSA-N 288.351 0.403 0 50 CCAA O=C(NN1CCN(CC(F)(F)F)C1=O)c1ccncn1 1875265121 BBZTWEYHNRXBGF-UHFFFAOYSA-N 289.217 0.421 0 50 CCAA O=c1n(Cc2cccn3ccnc23)nnn1C1CC1 1875282199 QZCCLTOEOVHUSK-UHFFFAOYSA-N 256.269 0.471 0 50 CCAA COC(=O)/C=C/CNC(=O)c1nc2nc(C)cc(C)n2n1 1875311578 FRQWFQYJJFZWLZ-SNAWJCMRSA-N 289.295 0.200 0 50 CCAA C[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(c3cnn(C)c3)C2)C1(F)F 1875392897 YZPCRXNEMOWQFU-XLDPMVHQSA-N 298.293 0.543 0 50 CCAA CO[C@H]1CCN(C(=O)c2cn(CC(F)(F)F)nn2)C1 899699429 KXWNPJCOLJBYML-ZETCQYMHSA-N 278.234 0.701 0 50 CCAA Cc1cc(C)nc(CNC(=O)N2CCC[C@H](O)C2)n1 426477585 PNAYGQKKTBMKGL-NSHDSACASA-N 264.329 0.760 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1cn(C)nc1C 643851655 OPTCZYZEUBEKTB-ZDUSSCGKSA-N 281.312 0.434 0 50 CCAA CS(=O)(=O)C[C@H]1CCCN(C(=O)C2CCNCC2)C1 381847955 KYANZDJLIKAVKT-NSHDSACASA-N 288.413 0.269 0 50 CCAA O=C(NCc1ccc2c(c1)OCO2)C(=O)NC1CC1 2491181 SJSSRSBTPIRKLI-UHFFFAOYSA-N 262.265 0.310 0 50 CCAA O=C(O)c1cc(C(=O)O)c(-n2cncn2)c(C(=O)O)c1 1848350151 SIWBDAMXUPDDDK-UHFFFAOYSA-N 277.192 0.362 0 50 CCAA CN1C[C@@H](c2nnc3n2CCSCC3)CC1=O 2100483813 NHURYIXDDDIXMI-QMMMGPOBSA-N 252.343 0.513 0 50 CCAA C[C@H]1[C@@H](NC(=O)N[C@@H]2CCN(CC(C)(C)O)C2)CCN1C 2325763148 IYHZQMOEFKKGAJ-XQQFMLRXSA-N 298.431 0.223 0 50 CCAA O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 1530948 UEJJHQNACJXSKW-SECBINFHSA-N 258.233 0.088 0 50 CCAA fda COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)O 4857987 OQTUGKVWNZIGKA-MRVPVSSYSA-N 273.310 0.755 0 50 CCAA CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 10302465 KIIMOGAGGFUJHT-NSHDSACASA-N 274.386 0.671 0 50 CCAA CC1(C)C[C@@]2(CCO1)NCCN1C(=O)CS[C@H]12 55152990 CEZNQEDIPGJTON-CMPLNLGQSA-N 256.371 0.819 0 50 CCAA biogenic O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@@]1(CO)C=C[C@H]2O1 101194288 PTRCHJYTVZWXFU-BLTAXRJOSA-N 289.262 0.631 0 50 CCAA C[C@H](Cn1cncn1)C(=O)NCc1ccc2c(c1)OCO2 23191737 SQFAAMYSJKIAJO-SNVBAGLBSA-N 288.307 0.959 0 50 CCAA CCOCCN1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 229828511 IRXACTSQYVDPOE-HIFRSBDPSA-N 283.416 0.507 0 50 CCAA C[C@@H](CC(=O)N1CC(C)(O)C1)N1CCCCC1=O 328678419 BDTQGQFBDWOPRV-JTQLQIEISA-N 254.330 0.371 0 50 CCAA Cc1cc(C(F)(F)F)nc(N2CCO[C@@H](C(N)=O)C2)n1 361018985 QPBAFKBGXDOXJE-SSDOTTSWSA-N 290.245 0.494 0 50 CCAA OC[C@@H]1C[C@@H](O)CN1c1ccnc(Cc2ccccc2)n1 361968563 LLHZSTOXLJWIBP-UONOGXRCSA-N 285.347 0.999 0 50 CCAA NS(=O)(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc[nH]2)C1 363923651 CCZMTCTVLUGRIG-QRGHLMKCSA-N 283.353 0.307 0 50 CCAA CC[C@@]1(C)COCCN1C(=O)CCn1cncn1 330644387 YHGMKKSSDJNVCE-LBPRGKRZSA-N 252.318 0.696 0 50 CCAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(CCn2cc(C)cn2)C1 331676173 VKNGDWBYSHAHDR-NEPJUHHUSA-N 276.344 0.772 0 50 CCAA C[C@H](NC(=O)CNC(N)=O)c1ccc2c(c1)OCCCO2 223234496 MXGHOXIHLQPYAN-VIFPVBQESA-N 293.323 0.693 0 50 CCAA O=C(O)C1(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 192984192 CEBQDVHTXMPGSB-VHSXEESVSA-N 253.298 0.925 0 50 CCAA CN(CC(=O)N1CC=C[C@@H]1C(=O)O)Cc1ccncc1 426472637 FMTIPDBKCZIODZ-GFCCVEGCSA-N 275.308 0.365 0 50 CCAA O=C(Cc1nc(O)n[nH]1)NCCCOC1CCCC1 426707203 LUBBTSALEKMRJT-UHFFFAOYSA-N 268.317 0.518 0 50 CCAA O=C(Cn1ccc([C@H]2CCCNC2)n1)N1CCOCC1 426498343 ACWHQWIXKIMDCX-LBPRGKRZSA-N 278.356 0.209 0 50 CCAA Nc1nc(=NCC2(O)CCCCC2)cc([C@@H]2CCOC2)[nH]1 426414498 GKBNQIZILABSHB-LLVKDONJSA-N 292.383 1.092 0 50 CCAA Cc1nonc1OCCn1cc([C@@H]2CCOC2)nn1 91656945 RJKOBPUBFKKDQZ-SECBINFHSA-N 265.273 0.552 0 50 CCAA COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(N)=O 238352082 CGMQVXPBMLTDSL-ZETCQYMHSA-N 260.290 0.318 0 50 CCAA Cc1cc(C(=O)N2CCN[C@@H](C)C2)c2cnn(C)c2n1 237521545 OFEXBSUJRJJEIR-JTQLQIEISA-N 273.340 0.711 0 50 CCAA CCN1CCO[C@H](C(=O)NN2Cc3ccccc3C2=O)C1 183840163 GECXWROAKLAAAE-ZDUSSCGKSA-N 289.335 0.394 0 50 CCAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)C(C)C)c1O 253623907 SLCAGTSNAWIKAM-SSDOTTSWSA-N 282.296 0.894 0 50 CCAA biogenic CN(C)c1nc(=NC[C@@H]2CCO[C@H]2c2nccn2C)[nH][nH]1 621353023 IPEUBBMENGXSSQ-VHSXEESVSA-N 291.359 0.216 0 50 CCAA O=C(c1ccccc1Cn1ccnn1)N1CCO[C@H]2C[C@H]21 622876931 VWSGVQIRQAIQHM-KGLIPLIRSA-N 284.319 0.940 0 50 CCAA COc1ccc(CNC(=O)[C@H]2COCCO2)cc1C(=O)O 299753903 ZSQAYISVKMZYJV-GFCCVEGCSA-N 295.291 0.425 0 50 CCAA Cc1nc(N)sc1CC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N 534656865 XKNGJKKMROTYCD-GDGBQDQQSA-N 280.397 0.772 0 50 CCAA C[C@@H]1CCCN1Cc1cnc(N(C)CC(=O)O)nc1 534639967 GKCFAPAAQCQPDQ-SNVBAGLBSA-N 264.329 0.982 0 50 CCAA O=C(CCc1cn[nH]c1)N1CCN(c2cnccn2)CC1 629947965 ZMGYUMVMJZMHHI-UHFFFAOYSA-N 286.339 0.481 0 50 CCAA O=C(Cc1cncnc1O)NCC1(CN2CCCC2)CC1 299755043 BYUDTRYBJAPRDW-UHFFFAOYSA-N 290.367 0.717 0 50 CCAA COC(C)(C)C(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299768397 UVJILHMEFLBODH-QWRGUYRKSA-N 280.328 0.375 0 50 CCAA CCCn1cnnc1[C@@H](C)NS(=O)(=O)c1cnn(C)c1 823031045 UAJKIPPEGSOWHA-SECBINFHSA-N 298.372 0.461 0 50 CCAA CN1C[C@@H](CN(C)S(=O)(=O)c2ccccc2)CC1=O 828247910 HSTUNYUNSRAFBB-NSHDSACASA-N 282.365 0.785 0 50 CCAA CCc1nccn1CCC(=O)N[C@]1(C)CCS(=O)(=O)C1 952971925 AHBFFNSBLMYEIS-CYBMUJFWSA-N 299.396 0.529 0 50 CCAA Cn1cc(C(=O)NC[C@@H]2COc3ccccc3O2)cn1 170120136 UVDBONGHOZVWEI-LLVKDONJSA-N 273.292 0.990 0 50 CCAA COC[C@H](C)S(=O)(=O)N1C[C@H](C)[C@@H](C(=O)O)C1 399628055 PWWDGQNYQSWZKL-CIUDSAMLSA-N 265.331 0.004 0 50 CCAA C[C@H]1CN(C(=O)Cc2cnn3c2CCCC3)C[C@@H](C)N1 637839130 GYMOBEAXFQKREC-TXEJJXNPSA-N 276.384 0.971 0 50 CCAA CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCc1c[nH]c(=N)[nH]c1=N 638703589 IUPCKGULZNDEOI-MXWKQRLJSA-N 277.372 0.595 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(CCOC2CCC2)C1 643808061 OKSVTVLLDGWABU-ZDUSSCGKSA-N 256.346 0.258 0 50 CCAA Cn1ncc(Cl)c1CN1CC[C@](O)(Cn2ccnn2)C1 671492466 GKPSLNLHBNXGFC-GFCCVEGCSA-N 296.762 0.302 0 50 CCAA O=C(Cc1ccncc1)N1CCC[C@H](c2nc(O)n[nH]2)C1 564297950 KTNHLZFCVZONSV-NSHDSACASA-N 287.323 0.854 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2ncc(Cl)n2C)C1 583617582 CXOAPEQPKSPPLP-YUMQZZPRSA-N 272.736 0.148 0 50 CCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)[C@@H]1COc2ccccc2O1 659171481 QAWITUJJHVJZNJ-KPXOXKRLSA-N 293.275 0.185 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](Cc1cccnn1)C(=O)O 757170971 VSNOORAUZSHAPA-VIFPVBQESA-N 267.285 0.997 0 50 CCAA C[C@](O)(CN1CC[C@H](S(N)(=O)=O)C1)c1ccccc1 772225897 IIRLJCDCZPVBJK-STQMWFEESA-N 284.381 0.257 0 50 CCAA O=C(Cc1ccoc1)NS(=O)(=O)Cc1cccnc1 774345553 QXJCMWSZHIVUQA-UHFFFAOYSA-N 280.305 0.863 0 50 CCAA COc1cccc(CN(C)C(=O)N[C@H]2[C@@H]3CNC[C@@H]32)n1 1614995326 SQYIDEFUTWKUEZ-PJXYFTJBSA-N 276.340 0.449 0 50 CCAA N[C@H]1CC12CC(NS(=O)(=O)c1cnn(CC3CC3)c1)C2 1615059273 ZDYOIAZHPJCAIN-YDGIUTOCSA-N 296.396 0.451 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1cc(C2CC2)on1 129398030 OLSMQGFUVSQTFE-VIFPVBQESA-N 280.280 0.868 0 50 CCAA CN1CCN(CCC(=O)N(C)C[C@H]2CCCCN2C)CC1 1506428574 QZPARURUWWWSGL-OAHLLOKOSA-N 296.459 0.567 0 50 CCAA COCCN1C[C@@H](CNc2nccnc2OC)CC1=O 1506405687 WIVKLULYGBTZNB-SNVBAGLBSA-N 280.328 0.392 0 50 CCAA CO[C@]1(C)CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 408334845 QZNQBUIOQPTGNY-NWDGAFQWSA-N 277.386 0.854 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(Cc1c(F)cccc1F)C2 1704313840 KLZBZVVFVIDYRG-ZJUUUORDSA-N 282.290 0.912 0 50 CCAA Cc1ccc(CS(=O)(=O)NCCN2CCOCC2)cc1 16579729 YUWZPPGGDDEBNP-UHFFFAOYSA-N 298.408 0.747 0 50 CCAA O=C(NCCO)c1nnn(-c2ccccc2)c1C1CC1 16650658 NQORXDOFAFMZDL-UHFFFAOYSA-N 272.308 0.867 0 50 CCAA O=C(c1ncc(F)cc1F)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857701062 LLPCXMMVBQLKJO-JFUSQASVSA-N 298.289 0.972 0 50 CCAA CCS(=O)(=O)NCC(=O)N1CCC[C@H]1C(F)(F)F 913019775 JCJBMSTUJAABFY-ZETCQYMHSA-N 288.291 0.479 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)Cc1cccnc1 353210434 LRVVLHHLNSVZRI-STQMWFEESA-N 264.325 0.934 0 50 CCAA C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ncc[nH]1 632331229 IEAFEKIZDCVSAW-MNOVXSKESA-N 284.385 0.657 0 50 CCAA COC[C@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)CCO1 646864940 ZIMAEGBJEXOISJ-ZJUUUORDSA-N 280.328 0.098 0 50 CCAA CC(C)[C@H]1NCC[C@H]1C(=O)N1CCN(C(=O)N(C)C)CC1 336004342 YFDGHEXJEYPWDD-CHWSQXEVSA-N 296.415 0.446 0 50 CCAA COc1cc(C(=O)NC[C@H]2CCCC[C@@H]2O)ncn1 821796284 HJHHIYSIDRTHJK-KOLCDFICSA-N 265.313 0.766 0 50 CCAA COC[C@@H](NC(=O)c1cccc(C)c1C)c1nn[nH]n1 952882760 OVFZQCGBLWRMOC-LLVKDONJSA-N 275.312 0.934 0 50 CCAA CC(C)[C@@H](O)C(=O)Nc1ccc(O)cc1C(N)=O 952848412 FROCQHXEUVBPIW-SNVBAGLBSA-N 252.270 0.447 0 50 CCAA COc1ccc(F)c(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1 1875288059 MBNDDDZDFLCGCT-WPRPVWTQSA-N 265.288 0.944 0 50 CCAA CN1C[C@@](C)(CNC(=O)N=c2nc(C3CC3)[nH]s2)C1=O 1875369843 LYDZWPHDWXZBKK-GFCCVEGCSA-N 295.368 0.437 0 50 CCAA NC1=CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)N1 887556526 YKXKNHIFHZOTTK-GFCCVEGCSA-N 259.309 0.951 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1COCCO1 252431561 LKQAKFJOUMNITL-WHOHXGKFSA-N 283.324 0.646 0 50 CCAA CC(C)n1ccc(C(=O)N2CCO[C@@H](CC(=O)O)C2)n1 262437077 MDPZWFRWWPCYBF-JTQLQIEISA-N 281.312 0.780 0 50 CCAA COC[C@@H](O)CN(C)C[C@@H]1CCc2nccn2C1 328646908 SWQUEJNGHIFBSY-RYUDHWBXSA-N 253.346 0.385 0 50 CCAA O=C(COC[C@H]1CCCCO1)NC1CCNCC1 534663421 FQDHRYOAMAEEPS-GFCCVEGCSA-N 256.346 0.440 0 50 CCAA O=C(CN1CCNCC1)N1CCC[C@@]2(CCCOC2)C1 638015408 OLKUNMULEVECAH-OAHLLOKOSA-N 281.400 0.311 0 50 CCAA CN(CC(=O)NCc1ccco1)Cc1nncn1C 340661725 QFVYJQZFZSHSCY-UHFFFAOYSA-N 263.301 0.156 0 50 CCAA CCn1c(=O)[nH]c(Nc2ccccc2)c(NC=O)c1=O 330343 NIWANEXLAQIHKP-UHFFFAOYSA-N 274.280 0.868 0 50 CCAA Cc1nc2ccnn2c(N2CCN(CCO)CC2)c1C 2356151612 PVQABJKNGCDGGE-UHFFFAOYSA-N 275.356 0.460 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1OC 10008801 NQSNCCKFDGCUJW-UHFFFAOYSA-N 284.337 0.496 0 50 CCAA Cc1nc(O)[nH]c(=O)c1S(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1C2 106236389 JZEYETJCWURTQN-CIUDSAMLSA-N 299.352 0.251 0 50 CCAA CC(C)(C)OC(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1 57530729 QGBFPQAYHHJUIQ-UHFFFAOYSA-N 295.343 0.409 0 50 CCAA CS(=O)(=O)CCC(=O)NCCC(=O)Nc1ccccc1 113102378 VDBZZKGCDHJMKP-UHFFFAOYSA-N 298.364 0.566 0 50 CCAA COC[C@H]1CN(C(=O)CCn2cncn2)CC(C)(C)O1 343734655 MFGKHTDYHOGNEI-LLVKDONJSA-N 282.344 0.321 0 50 CCAA CC(C)(C)CN1CCC[C@@](O)(CN2CCOCC2)C1=O 20168249 RGPMILKHGLSYOW-OAHLLOKOSA-N 284.400 0.718 0 50 CCAA CCN1CCCC[C@@H]1C(=O)NC[C@@H](O)c1nccn1C 20149169 OUUPUFBBIBINGK-VXGBXAGGSA-N 280.372 0.444 0 50 CCAA C[C@H](CCN(C)C(=O)CS(C)(=O)=O)N1CCCC1 67770085 NMXPRJLFUCMLMI-LLVKDONJSA-N 276.402 0.364 0 50 CCAA O=S(=O)(N[C@H]1CCc2ccccc2C1)N1CCOCC1 408116301 VZQAMKKUJSSJDS-AWEZNQCLSA-N 296.392 0.711 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCSc2ncn[nH]2)o1 215657339 MLVIBGUFIUCJEE-UHFFFAOYSA-N 280.309 0.588 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1CCOCC12CC2 329074122 PCQNMYXJTWFSNU-UHFFFAOYSA-N 271.342 0.282 0 50 CCAA COc1cnc(N2CCC(N3CCC(O)CC3)CC2)nc1 77405965 PNNUGDUASHUMLL-UHFFFAOYSA-N 292.383 0.911 0 50 CCAA CS(=O)(=O)NCC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 153445964 YIRHJSMMFKEBJL-WDEREUQCSA-N 274.386 0.621 0 50 CCAA CCc1c[nH]c(S(=O)(=O)[C@H](C)C(=O)NCC(C)C)n1 125768118 XQDYOQTZPDRMCT-SECBINFHSA-N 287.385 0.907 0 50 CCAA C=CC(=O)NCCC(=O)N[C@@H]1COc2ccccc2[C@@H]1O 366530505 LNIIWAPPNGGYJF-ABAIWWIYSA-N 290.319 0.290 0 50 CCAA Cc1nn(C)cc1CC(=O)N1CCCc2n[nH]cc21 333490133 QUOASTXDGGMCJY-UHFFFAOYSA-N 259.313 0.974 0 50 CCAA CC[C@@H]1[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H]2CCO[C@@H]21 218963968 WQRXRMUECHRGPX-LMLFDSFASA-N 287.323 0.668 0 50 CCAA CN(Cc1cccc(Cn2cccn2)c1)C[C@@H](O)CO 216336710 SQNMPZGJEZDQRH-OAHLLOKOSA-N 275.352 0.716 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)Cc1ccsc1 222799831 ZMLFSKMENPEGOQ-QWRGUYRKSA-N 254.355 0.736 0 50 CCAA CN(C)C(=O)[C@@H](NC(=O)CCO)c1ccccc1 223777814 AOIDNWHMVHLMRW-LBPRGKRZSA-N 250.298 0.315 0 50 CCAA COC[C@@H]1CN(C(=O)c2cnnn2C)CC(C)(C)O1 284901574 BIIPNEQZRAXNJY-VIFPVBQESA-N 268.317 0.081 0 50 CCAA CCSCCC(=O)NCCc1nc(C)cc(=O)[nH]1 220225047 RTORRPFKXVURHM-UHFFFAOYSA-N 269.370 0.880 0 50 CCAA COCCOCC(=O)N1CCC[C@@H](c2n[nH]c(C)n2)C1 221248419 PJJMKALCECORNE-LLVKDONJSA-N 282.344 0.482 0 50 CCAA CCc1noc(CCNC(=O)[C@H](C)n2cccn2)n1 426602467 LDHZVFMMTFYJBP-VIFPVBQESA-N 263.301 0.748 0 50 CCAA COc1cc(N2CCN(C[C@H]3CCCO3)CC2)ncn1 178799877 RIITXZJTMLYXJZ-GFCCVEGCSA-N 278.356 0.786 0 50 CCAA CCN1C[C@@H](C(=O)N2CC(c3cccnc3)C2)CC1=O 95378916 NPIZBWYAPIUUCC-LBPRGKRZSA-N 273.336 0.876 0 50 CCAA NC(=O)N1CCC[C@H]1c1nc(C2CCOCC2)n[nH]1 97499652 HQAPCQVBIILFNG-VIFPVBQESA-N 265.317 0.914 0 50 CCAA COC(=O)c1cn(Cc2cnn(C)c2)cc2c(=O)[nH]nc1-2 253411015 OCAUHTBVTNOLEF-UHFFFAOYSA-N 287.279 0.245 0 50 CCAA CCSCC(=O)N1CCN(c2cc(O)nc(N)n2)CC1 253537029 UKCZZWSRJLSZCB-UHFFFAOYSA-N 297.384 0.166 0 50 CCAA C[C@@H](CC(=O)NCc1cccc(CO)c1)N1CCOCC1 534651826 KTBIAPBHKVHOAL-ZDUSSCGKSA-N 292.379 0.906 0 50 CCAA CN(C)C(=O)CNS(=O)(=O)c1ccc(N(C)C)cc1 276642348 XVQAFQVZEDBXFI-UHFFFAOYSA-N 285.369 0.119 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCCn1cc(C)cn1 270644696 LAFUPUSZXRMNHO-VIFPVBQESA-N 254.290 0.052 0 50 CCAA COc1ccc2nc(CNC(=O)c3cncc(=O)[nH]3)[nH]c2c1 824757773 FRGCMYIAKRJBGK-UHFFFAOYSA-N 299.290 0.585 0 50 CCAA CC[C@@H](C)Cc1nc(C2(CO)CC2)n(CCO)n1 828776687 IUVXOBASCKYNIM-SNVBAGLBSA-N 253.346 0.883 0 50 CCAA Nc1ncc(C(=O)NCCCN2CCC[C@H](CO)C2)s1 584888004 WWEQOJGNVNUKKU-JTQLQIEISA-N 298.412 0.550 0 50 CCAA Cc1cc(C[C@H](C)NC(=O)CCS(C)(=O)=O)n[nH]1 821439093 RBESGYRJLNPTAG-QMMMGPOBSA-N 273.358 0.200 0 50 CCAA Cc1nc2ccc(CC(=O)N3CCCNC(=O)C3)cc2[nH]1 584888430 NQBDTDMGALTSLG-UHFFFAOYSA-N 286.335 0.762 0 50 CCAA CSCC[C@@H](C)NS(=O)(=O)CCN1CCOC1=O 1434547827 JFXYPMRGAMGIRV-SECBINFHSA-N 296.414 0.500 0 50 CCAA CO[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1369046387 RIROUGIWXYDOJP-CYZMBNFOSA-N 295.383 0.864 0 50 CCAA COC[C@@]1(C(=O)O)CCN(C(=O)N=c2cc[nH]cc2C)C1 630565081 HTWAEPMTRMQFIP-CQSZACIVSA-N 293.323 0.767 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(C(N)=O)n(C)c1 276723733 DMTQDTGHMSXPCI-WCBMZHEXSA-N 265.313 0.878 0 50 CCAA COCCN1CCCN(C(=O)c2ccoc2C)CC1=O 170605352 LOQJTXPUQQRCDD-UHFFFAOYSA-N 280.324 0.909 0 50 CCAA Cn1cc(CC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cn1 640872715 NMRKAWOMCHXVMZ-MJBXVCDLSA-N 292.383 0.067 0 50 CCAA CCCNS(=O)(=O)N1CCOCC2(CCC2)C1 644198354 BDFBWRPZUSQQFZ-UHFFFAOYSA-N 262.375 0.733 0 50 CCAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@H](O)[C@H](C)O)C1 585117319 YINZXNCJXOKTGB-FQUUOJAGSA-N 286.416 0.745 0 50 CCAA Cn1cc(Cc2noc([C@@H]3C[C@H](N)[C@H]4C[C@H]43)n2)cn1 1615056857 BIEJAMONEBEGBZ-YTWAJWBKSA-N 259.313 0.845 0 50 CCAA CCc1c(C(=O)N2C[C@H](N)C3(CCC3)C2)nnn1CC 1615553534 HIOKJXTWCGUFLW-NSHDSACASA-N 277.372 0.814 0 50 CCAA CC(C)(C(=O)N[C@@H]1C[C@H](N)C12CCC2)n1ccc(N)n1 1615555291 POYJMAGVQINBBG-VHSXEESVSA-N 277.372 0.587 0 50 CCAA Cc1ccn2c(F)c(C(=O)N3C[C@H](O)[C@@H](F)C3)nc2c1 1616116088 IGFOTTFGYAFWDA-IUCAKERBSA-N 281.262 0.937 0 50 CCAA CC(C)C(C)(C)CS(=O)(=O)NCCNC(=O)N(C)C 1616182471 WLNDPTDWKSVJDD-UHFFFAOYSA-N 293.433 0.859 0 50 CCAA N=c1nc(N2C[C@H]3C[C@@H](O)C[C@H]3C2)c2c([nH]1)CCCC2 1857694008 WTONTIWPOFCIQD-JGPRNRPPSA-N 274.368 0.975 0 50 CCAA COc1nccnc1N1CCOC[C@@H](CN(C)C)C1 1506421569 IXASJIATCQNTBU-NSHDSACASA-N 266.345 0.500 0 50 CCAA CCOCCNS(=O)(=O)N1CCC[C@H](COC)C1 1529111267 URTDNDKOCONTCH-NSHDSACASA-N 280.390 0.216 0 50 CCAA COCCN1CC[C@H](CNc2nc(N)[nH]c3ncnc2-3)C1 1529158602 GBENNRWORHVCFW-SECBINFHSA-N 291.359 0.267 0 50 CCAA CCN(CCn1cccn1)Cc1cc(O)nc(O)n1 1529155303 QMGSAOPYIABALW-UHFFFAOYSA-N 263.301 0.606 0 50 CCAA CCOCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C 1867917 PWRPMKXUYCPZEC-UHFFFAOYSA-N 284.341 0.182 0 50 CCAA CC[C@@H]1C(=O)NCCN1Cc1c(C)nnn1CC 333620181 YHPUTFQGSZJDKB-SNVBAGLBSA-N 251.334 0.317 0 50 CCAA CN(C)C(=O)N1CCN(S(=O)(=O)c2ccoc2)CC1 335938723 OOWVQULNSZFKIT-UHFFFAOYSA-N 287.341 0.268 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)CNC3CC3)C[C@H]2O)on1 1704315742 VCVRJVAJISMHDI-ZWNOBZJWSA-N 279.340 0.097 0 50 CCAA Cc1c(CNC(=O)c2ccn(C)c(=O)c2)cnn1C 119673817 QXRHALVYPYDATJ-UHFFFAOYSA-N 260.297 0.357 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)NCCN2)C1 1565505215 CBNRNNHQVKGFJA-CYBMUJFWSA-N 269.345 0.476 0 50 CCAA COC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 12904348 IXYMMNCRSWJVPN-UHFFFAOYSA-N 269.278 0.394 0 50 CCAA CN1C(=O)NCC12CN(CC[C@@H](O)c1ccccc1)C2 1857672437 BYMFUCRTZFUJOP-CYBMUJFWSA-N 275.352 0.820 0 50 CCAA CN1C(=O)NCC12CN(C[C@H]1COc3ccccc3O1)C2 1857692637 NOWLURAOPAZITG-NSHDSACASA-N 289.335 0.536 0 50 CCAA O=C1NCCCNCCOc2cccc(c2)[C@H]2CNC[C@H]12 1857724250 RNDIQTHIQGPCOA-CABCVRRESA-N 289.379 0.478 0 50 CCAA N[C@H]1C[C@H](C(=O)N2CCc3sccc3C2)C[C@@H]1O 1857732586 WYENKGRCMCLBEW-DCAQKATOSA-N 266.366 0.731 0 50 CCAA Cn1nccc1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 225523449 ZYUUVFIWDLQQKH-ZDUSSCGKSA-N 284.319 0.733 0 50 CCAA O=C(N[C@H]1CO[C@@H]2[C@@H](O)CO[C@H]12)c1ccc2cc[nH]c2c1 1875245107 KIFHJHIHCOJBKS-IGQOVBAYSA-N 288.303 0.425 0 50 CCAA Cn1cc(CCC(=O)N(CC(=O)O)C2CC2)cn1 225446689 QEJBBVFWLLNFLA-UHFFFAOYSA-N 251.286 0.428 0 50 CCAA Cn1cccc1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 851082393 GADQBKJISLJHHZ-MYJAWHEDSA-N 268.338 0.876 0 50 CCAA O=C1CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CCN1 1875289856 UUBNAOMOYMHUHS-NEPJUHHUSA-N 286.397 0.574 0 50 CCAA O=C1CCCC[C@H](C(=O)OC[C@@H]2COC(=O)O2)N1 1875264182 RGZYKINFBJAIBH-HTQZYQBOSA-N 257.242 0.124 0 50 CCAA CN(C)C(=O)C[C@@H]1CN(CCCc2cn[nH]c2)C[C@H]1O 1875398967 KOHBVTFMCLAONB-CHWSQXEVSA-N 280.372 0.113 0 50 CCAA Cn1ncc2c1CCN[C@H]2C(=O)NCc1nccs1 1875392702 PCCQXAXLDDCWKH-LLVKDONJSA-N 277.353 0.380 0 50 CCAA O=C(NCc1nc(O)n[nH]1)[C@H]1C[C@@H]2C[C@H]1CC2(F)F 1875306741 NGENEYOYCQOLSY-ACZMJKKPSA-N 272.255 0.808 0 50 CCAA O=C(N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O)[C@H]1Cc2nccn2C1 1875304818 VXCYBLYXXKWFHP-RMPHRYRLSA-N 289.335 0.671 0 50 CCAA c1cc(C2CC2)nc(CCN=c2ccc3nnnn3[nH]2)n1 1875307109 KSAVDFGGJUFLNL-UHFFFAOYSA-N 282.311 0.263 0 50 CCAA C[C@@H](CO)NC(=O)c1[nH]nc2ncc(Br)cc12 1875321276 BESOYGYHXWQCNA-YFKPBYRVSA-N 299.128 0.831 0 50 CCAA CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NS(C)(=O)=O)C2 888098717 KIYWBHNTNWSRMP-WISYIIOYSA-N 276.402 0.015 0 50 CCAA C=CC(=O)N(C)CC(=O)N1Cc2c[nH]nc2C[C@@H](C)C1 1177675929 LPEURISLVRZBMI-SNVBAGLBSA-N 276.340 0.575 0 50 CCAA COC(=O)[C@H]1CC[C@@H]1C(=O)N1CCOCC2(CC2)C1 253419101 JXKDCRKEGZGTLQ-QWRGUYRKSA-N 267.325 0.825 0 50 CCAA O=C(NCC1(CO)CCOCC1)c1cscn1 151527507 ZWQKGULQLQSSCE-UHFFFAOYSA-N 256.327 0.662 0 50 CCAA CCc1nc(CN2C(=O)NC3(CCNCC3)C2=O)cs1 77343589 JTEDPIOPNQGFCE-UHFFFAOYSA-N 294.380 0.880 0 50 CCAA Cc1cc(C)nc(CNC(=O)N2CCC[C@@H](O)C2)n1 426477584 PNAYGQKKTBMKGL-LLVKDONJSA-N 264.329 0.760 0 50 CCAA O=C1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 18271570 VZLMDPVZZMKXLT-CYBMUJFWSA-N 272.304 0.983 0 50 CCAA NC(=O)c1ccc(/C=C/C(=O)N2CC[C@H](N)C2)cc1 152378885 UWFXMLFTUFWNSR-UXONFWTHSA-N 259.309 0.358 0 50 CCAA COn1c(=O)c(=O)n(OCc2ccccc2)c2ccccc21 102154 NBKBRMUFKPYLLQ-UHFFFAOYSA-N 298.298 0.850 0 50 CCAA COCCN1Cc2nnc(-c3cc(C)no3)n2[C@@H](C)C1=O 2356160152 FUYBUYIJBCYEOU-VIFPVBQESA-N 291.311 0.791 0 50 CCAA CCO[C@@H]1NC(=O)NC(=O)[C@@]1(C)Br 3121590 REDLIYNRQBSZJD-CAHLUQPWSA-N 251.080 0.342 0 50 CCAA CS(=O)(=O)Nc1ccc2c(c1)nc1n2CCOC1 6467799 WOGRXIGCLSNXAO-UHFFFAOYSA-N 267.310 0.938 0 50 CCAA O=C(Cc1ccccc1)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 101514670 DUYXNZLWIWFXRP-RFHZTLPTSA-N 298.298 0.199 0 50 CCAA CC(C)COC[C@H](O)CN1C(=O)[C@@H](C)[C@@H](C)C1=O 246123839 LSONCIUIYDTBGL-OUAUKWLOSA-N 257.330 0.661 0 50 CCAA CN(CC(=O)O)[C@H]1CN(CCc2cccs2)C[C@H]1O 328603379 FZKFETZPVQOHLC-NWDGAFQWSA-N 284.381 0.352 0 50 CCAA CCc1nccn1CCN1C(=O)NC2(CCNCC2)C1=O 77437705 PIPPDSGIEZOYSG-UHFFFAOYSA-N 291.355 0.120 0 50 CCAA NCC[C@H]1CN(c2cnn(CC3CC3)c(=O)c2)CCO1 72144848 KQNUXVGQORCJII-ZDUSSCGKSA-N 278.356 0.207 0 50 CCAA COCC1(C)CCN(C(=O)Cn2ccc(O)nc2=O)CC1 330652272 MUOXDRDJWIOAGZ-UHFFFAOYSA-N 295.339 0.224 0 50 CCAA CN(C)C/C=C/C(=O)N1CCc2ccccc2[C@@H]1C(N)=O 363543171 DMDMNXUCRVAXBI-SBJJXXPASA-N 287.363 0.716 0 50 CCAA Cn1ccnc1C(=O)N1CCCO[C@@H](CN2CCCC2)C1 216061060 TVJKJJUGZUNCAN-ZDUSSCGKSA-N 292.383 0.747 0 50 CCAA Cc1nc(S(=O)(=O)N[C@]2(C)CCOC2)cn1C 158456283 ONOUTFVZXMYQOD-SNVBAGLBSA-N 259.331 0.186 0 50 CCAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N=c1cccn[nH]1 605467534 AUBFQCTZNWQLDB-ZDUSSCGKSA-N 282.303 0.815 0 50 CCAA Cc1nc(N)ncc1C(=O)N(Cc1cnn(C)c1)C1CC1 220361512 KUGODMMPHPLVCD-UHFFFAOYSA-N 286.339 0.906 0 50 CCAA CC(C)Oc1ccc(CNC(=O)[C@H]2CN(C)CCO2)cn1 174656997 QYQMJXUDBKPNPV-CYBMUJFWSA-N 293.367 0.816 0 50 CCAA Cn1cc(CNc2cc([C@@H]3CCOC3)ncn2)cn1 426445646 QLMYZJUQPIOZON-LLVKDONJSA-N 259.313 1.326 0 50 CCAA O=C(Cn1ccnn1)N1CCC(Oc2ccncc2)CC1 426511521 BVWDNLQUDFMRBP-UHFFFAOYSA-N 287.323 0.743 0 50 CCAA NC1(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CCCC1 178195358 WTZMBAUMIAKKDO-RYUDHWBXSA-N 268.357 0.664 0 50 CCAA Cc1ccc2nc(C)c(C(=O)N[C@@H](C)c3nc(N)n[nH]3)n2c1 426628781 OYMOTPGLKUEGOQ-VIFPVBQESA-N 299.338 1.142 0 50 CCAA CC[C@]1(C(=O)O)CCCN(C(=O)CN(C)CCOC)C1 91519031 VFEPMQXBOLCOMK-AWEZNQCLSA-N 286.372 0.668 0 50 CCAA CC(=O)c1cc(CN2CCN(C(C)=O)C[C@@H](O)C2)cs1 91620204 MYYJJMJLEUGLNP-ZDUSSCGKSA-N 296.392 0.976 0 50 CCAA Cc1ccccc1-n1cc(CN2CCNCC2)nn1 232313866 REGMDWFBZZYWNB-UHFFFAOYSA-N 257.341 0.981 0 50 CCAA CC[C@@H](C(=O)N(C)C1CCS(=O)(=O)CC1)n1cccn1 91931910 YYRZQXJCHAFZIG-LBPRGKRZSA-N 299.396 0.870 0 50 CCAA O=C(CCn1cnnn1)Nc1cccc(-n2cnnc2)c1 524735461 DCBZFDYJXISVLQ-UHFFFAOYSA-N 284.283 0.283 0 50 CCAA CO[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1c1cnn[nH]1 622169636 UPFQOPWCENDYLY-CMPLNLGQSA-N 280.328 0.172 0 50 CCAA O=C(O)[C@@H]1CC[C@H](C(=O)N(CCO)Cc2nccs2)C1 534662639 XEDOMQUXBAVPDA-VHSXEESVSA-N 298.364 0.965 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)CCc1ccnn1C 534646515 VURGBOPCTPQSED-RYUDHWBXSA-N 267.329 0.273 0 50 CCAA CN(C)c1nccnc1NCCN1CCCCC1=O 828263756 FKUPMMIYOUPURE-UHFFFAOYSA-N 263.345 0.967 0 50 CCAA CC(C)Cc1cc(C(=O)NCCc2cnn[nH]2)nc(N)n1 584899867 YKWKICQRZIHJQM-UHFFFAOYSA-N 289.343 0.348 0 50 CCAA CC(=O)N1CCN(C(=O)Cc2ccsc2)C[C@H](O)C1 670445131 OTHLCYCRMASJIR-GFCCVEGCSA-N 282.365 0.342 0 50 CCAA CC(C)CCC(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1 584890788 YQSNCHSMXNLCEN-STQMWFEESA-N 270.373 0.327 0 50 CCAA CN(C[C@@H]1CCOC1)C(=O)CCN1CCCC1=O 670457482 OJTLYQBRIVTIJG-NSHDSACASA-N 254.330 0.494 0 50 CCAA C[C@@H](NC(=O)CCCN1CCCC1=O)c1nnc(N)s1 670464639 ZGVWSKVEAMSBDX-MRVPVSSYSA-N 297.384 0.700 0 50 CCAA Cc1ccc(CNC(=O)NC[C@H]2CCNC[C@@H]2O)cc1 1565509141 YBVNGQHRHVYRNY-KGLIPLIRSA-N 277.368 0.765 0 50 CCAA NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCCC(=O)N1 408515167 BZCHZFNHWUPOBR-DCQANWLSSA-N 293.367 0.158 0 50 CCAA CCN1CN(Cc2cc(=O)n3ccsc3n2)CC1=O 191545123 WJMKOBVOQJTRDV-UHFFFAOYSA-N 278.337 0.378 0 50 CCAA Cc1nc(CNC(=O)c2cnn([C@H]3CCCNC3)c2)no1 646005315 PNGKDWOLQNDHPP-NSHDSACASA-N 290.327 0.429 0 50 CCAA Cn1cc(CCC(=O)Nc2cnn(CC(=O)O)c2)cn1 647744750 IUFQJPVFSZLUMU-UHFFFAOYSA-N 277.284 0.273 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)N1CCC2(CC1)COC(=O)O2 1506428222 YIHTYRAHAYRCFU-JTQLQIEISA-N 294.311 0.442 0 50 CCAA CNC(=O)[C@H]1CCN(C2CSCCSC2)C1 1506423808 XJIHQDAJFPMQPN-VIFPVBQESA-N 260.428 0.903 0 50 CCAA CC(C)n1cc(NC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)cn1 1506430366 ZTXAZCIIHIMXJB-SNVBAGLBSA-N 293.327 0.685 0 50 CCAA O=C1NC[C@@H](C(=O)N2CCCN(C3CCCC3)CC2)N1 1857693443 XCUZGINBVXZVKP-LBPRGKRZSA-N 280.372 0.145 0 50 CCAA CC(C)c1nsc(CN2CCN(C(=O)CO)CC2)n1 930103161 NYLPBNGGDJTUOK-UHFFFAOYSA-N 284.385 0.298 0 50 CCAA CCN(C)c1cc(N[C@H]2CNCC[C@H]2OC)ncn1 1704312002 JBSZAIQVPVGVCR-WDEREUQCSA-N 265.361 0.722 0 50 CCAA COc1ccccc1CC(=O)NC[C@@H](O)C(F)F 230238034 IPQZMQNVUNDSED-SECBINFHSA-N 259.252 0.980 0 50 CCAA CN(C)C(=O)N1CCN(Cc2cnn(C)c2)C(C)(C)C1 334281315 HIZVDQBVOBEDQZ-UHFFFAOYSA-N 279.388 0.998 0 50 CCAA Cc1cc(C)c(S(N)(=O)=O)cc1N(C)S(C)(=O)=O 5554077 IOOHSMCKWLGILH-UHFFFAOYSA-N 292.382 0.347 0 50 CCAA CCN1CCN(C[C@]2(O)CCCN(CC3CC3)C2=O)CC1 19225460 ZEWRFWBNEJHFDT-MRXNPFEDSA-N 295.427 0.387 0 50 CCAA CN(C)C(=O)c1cn2c(n1)CCN(c1ncccn1)CC2 1875241249 RXEQVYUTIUMDCG-UHFFFAOYSA-N 286.339 0.438 0 50 CCAA O=C(Cc1nc[nH]n1)N1CCCC[C@H]1CN1CCOCC1 631221420 GIJQZRWXXVYMMW-LBPRGKRZSA-N 293.371 0.061 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1ccc(-n2cncn2)c(F)c1 124329789 WPUHWKVHEDGQIZ-SNVBAGLBSA-N 289.314 0.840 0 50 CCAA O=C(Cn1cncn1)N1c2ccccc2C[C@H]1CO 912315177 AFQOAIDDKOWWOO-NSHDSACASA-N 258.281 0.228 0 50 CCAA Cn1cc([C@@H]2C[C@H]2C(=O)Nc2nnnn2C2CC2)cn1 905847346 JNMHXHCOLICJAA-VHSXEESVSA-N 273.300 0.484 0 50 CCAA CC[C@@H](O)CN1CC(C)(c2nnc(-c3cn(C)cn3)o2)C1 952892600 PELWOWKUAOOICY-SNVBAGLBSA-N 291.355 0.814 0 50 CCAA COC(=O)c1n[nH]c(NC(=O)c2ccc3c(c2)OCO3)n1 1875254862 YKBNSMHJEHUSDV-UHFFFAOYSA-N 290.235 0.572 0 50 CCAA Cn1ncc2cc(S(=O)(=O)NC(=O)C3CC3)cnc21 1875263203 BDWQRFZKNXUFPC-UHFFFAOYSA-N 280.309 0.183 0 50 CCAA Cc1n[nH]c(=NC(=O)N2CC[C@@H]3[C@@H](O)C(C)(C)[C@@H]32)s1 1875316162 YHHXJOPVSYCNHW-DJLDLDEBSA-N 282.369 0.892 0 50 CCAA COc1cc(NC(=O)N2CC3(C2)CS(=O)(=O)C3)ccn1 888096031 PWYIJWMBKVIWCN-UHFFFAOYSA-N 297.336 0.353 0 50 CCAA Cc1ccc(C(=O)N[C@](C)(Cn2cccn2)C(N)=O)n1C 889646188 HDQXQKCBFGNUTK-CQSZACIVSA-N 289.339 0.204 0 50 CCAA Nc1ncccc1CN1CC[C@]2(CCCNC2=O)C1 91620837 OEYDZBMJRKDVCP-CQSZACIVSA-N 260.341 0.766 0 50 CCAA COC1(c2ccccc2)CN(C(=O)C[C@@H]2COC[C@H]2O)C1 2325780137 JQBIHZMCZRUPOE-TZMCWYRMSA-N 291.347 0.768 0 50 CCAA CO[C@@H](C)CCC(=O)N=c1nc[nH]n1-c1ncccn1 2325786968 OHGCGBQBGLCVJS-VIFPVBQESA-N 276.300 0.233 0 50 CCAA CN1C[C@@H](NC(=O)N[C@H]2C[C@@H](c3ccon3)C2)CC1=O 2325810813 GRNZXTCVERZBNV-AEJSXWLSSA-N 278.312 0.451 0 50 CCAA Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 49153 JZRWCGZRTZMZEH-UHFFFAOYSA-N 265.362 0.608 0 50 CCAA endogenous,fda CCOC(=O)CCN(CC(=O)OCC)C(=O)OCC 2167629 XNAAZZKJCGKKFJ-UHFFFAOYSA-N 275.301 0.961 0 50 CCAA O=C(CCn1cnnn1)N1CCC(OC(F)(F)F)CC1 2356155271 AALQZQMKOYJCOK-UHFFFAOYSA-N 293.249 0.591 0 50 CCAA N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 4899746 WEQJQNWXCSUVMA-NEPJUHHUSA-N 262.309 0.632 0 50 CCAA endogenous,in-man CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCOC1)C1CCCC1 109721471 KHIMCNDELRRMII-QWHCGFSZSA-N 268.357 0.929 0 50 CCAA N[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 20256119 FUWVYADENJKUIE-LLVKDONJSA-N 261.391 0.530 0 50 CCAA CC(=O)N1CCC(C(=O)NCCc2nccn2C)CC1 63487855 PNZOTPDKLYQBDE-UHFFFAOYSA-N 278.356 0.337 0 50 CCAA CCOCCN1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 229828517 IRXACTSQYVDPOE-ZFWWWQNUSA-N 283.416 0.507 0 50 CCAA Cc1c(N)ncn(CC(=O)N(C2CC2)[C@H](C)C2CC2)c1=O 329592142 BXEXHYUPWLBNAY-SNVBAGLBSA-N 290.367 0.923 0 50 CCAA Cc1ncsc1CCN(C)C[C@]1(O)CCNC1 77298164 XIJJFLBCXHGKKD-LBPRGKRZSA-N 255.387 0.650 0 50 CCAA COCCNCCNC(=O)[C@]1(C)CC1(Cl)Cl 152297247 NLBWOLVRSLKAKL-VIFPVBQESA-N 269.172 0.923 0 50 CCAA CCO[C@H](C)c1noc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)O)n1 362535306 STCAQBGTDYYWNT-HLTSFMKQSA-N 297.311 0.846 0 50 CCAA CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1O 38273944 VVSWDMJYIDBTMV-FAYOZSNISA-N 282.292 0.194 0 50 CCAA in-vitro CCN1C(=O)[C@H]2CN(c3cc(C)nc(C)n3)CCN2C1=O 364866729 AMNFDBJYJLLZAT-LLVKDONJSA-N 289.339 0.566 0 50 CCAA CC(=O)N1C[C@H](c2ccc(C)o2)[C@@H](NC(=O)C2(N)CC2)C1 219602290 XUKMXYQCCFSDKE-RYUDHWBXSA-N 291.351 0.510 0 50 CCAA Cc1cnc(C(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)cn1 72120742 FVWPSEIJYHMXAS-CQSZACIVSA-N 290.323 0.890 0 50 CCAA CCCN1C[C@@H](C(=O)N2CCN(C)CC2)CC1=O 33359500 AHZNODPIGXTLRN-NSHDSACASA-N 253.346 0.019 0 50 CCAA C[C@H](NC(=O)c1cc(C2CC2)no1)C(=O)N(C)C 281957793 LFJOHJGNEKTYRH-ZETCQYMHSA-N 251.286 0.759 0 50 CCAA CCOC(=O)C1CCN([C@@H]2C[C@H](C(=O)OC)C[C@H]2O)CC1 239782581 CPKFIAQAMFUTGG-YNEHKIRRSA-N 299.367 0.574 0 50 CCAA Cc1cc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)n[nH]1 282945186 SZOTVYSQUIMYLD-CYBMUJFWSA-N 292.383 0.903 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C2CC2)on1 240551452 GTVZJSMHXYINPB-MWLCHTKSSA-N 275.308 0.903 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cc(F)ccc2F)C1 284791192 JASQJWAELPHQGD-KWQFWETISA-N 284.262 0.680 0 50 CCAA COCC1(CNC(=O)CN2C(=O)NC(C)(C)C2=O)CCC1 337191026 SYTSLLSKNDBYSE-UHFFFAOYSA-N 297.355 0.250 0 50 CCAA O=C(NCCc1c[nH]cn1)c1ccc(Cn2cnnn2)cc1 97499520 PTDFDFSYKTVLRX-UHFFFAOYSA-N 297.322 0.417 0 50 CCAA O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1cnccn1 94102960 CGQKASZDESQLCV-GFCCVEGCSA-N 298.350 0.913 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 91808677 YMXIHRSTJRZQPQ-LBPRGKRZSA-N 268.317 0.056 0 50 CCAA Oc1cc(CCc2nc([C@@H]3CCOC3)n[nH]2)on1 97784960 JFZJTPLFCAUSIQ-SSDOTTSWSA-N 250.258 0.787 0 50 CCAA COc1cc(N2CCC3(CC2)CN[C@@H](C(=O)O)C3)ncn1 91860925 DDVHKKPNXLKNNF-SNVBAGLBSA-N 292.339 0.518 0 50 CCAA NC(=O)NCC(=O)NCc1nc(C2CCCCC2)no1 244874491 XCHBUDJQRZGHDL-UHFFFAOYSA-N 281.316 0.402 0 50 CCAA O=C(Nc1cc[nH]n1)[C@H](Cc1ccccc1)n1cnnn1 524734358 WBSHNTKRVBBYSP-NSHDSACASA-N 283.295 0.819 0 50 CCAA CCc1nnc(CNC(=O)[C@@H](CC(C)C)NC(C)=O)o1 534652329 XPYJZZHMDRVGBH-SNVBAGLBSA-N 282.344 0.799 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)CCC(=O)O 534633076 IKNPKNZEIAKGBE-MRVPVSSYSA-N 254.290 0.730 0 50 CCAA CS(=O)(=O)CCC(=O)N[C@H]1COc2ccccc2C1 298786964 WAGLGXIJKVYXDR-LLVKDONJSA-N 283.349 0.541 0 50 CCAA CC(C)Cc1noc(CNC(=O)CN2CCC[C@@H](O)C2)n1 299783627 WDRLSPPIXHINKC-LLVKDONJSA-N 296.371 0.341 0 50 CCAA CC(C)(C)OC(=O)CCOCCOCCS(=O)(=O)O 575408808 HBIDYLRBESNRPU-UHFFFAOYSA-N 298.357 0.639 0 50 CCAA CCS(=O)(=O)NC[C@@H](c1ccccn1)N1CCOCC1 823412709 KBKFNKIDMYQZOB-ZDUSSCGKSA-N 299.396 0.394 0 50 CCAA CCCN1CC[C@H](NS(=O)(=O)c2cccnc2)C1 660029263 YGZJKQHYIJTDHX-NSHDSACASA-N 269.370 0.844 0 50 CCAA Nc1cc(C(=O)NCCCC[C@@H]2CCCO2)[nH]n1 584884636 QVMCFZOCHZMEGV-SECBINFHSA-N 252.318 1.071 0 50 CCAA Cn1ccc(NC(=O)CN2CCC[C@H](c3cc[nH]n3)C2)n1 670467464 PGMXMJBKQQLJPX-NSHDSACASA-N 288.355 0.961 0 50 CCAA O=C(CCCn1cnnn1)N1CCC(c2cc[nH]n2)CC1 670455866 GBELGVGAWVXKHJ-UHFFFAOYSA-N 289.343 0.583 0 50 CCAA Cc1nc(C)c(CC(=O)NCCc2noc(CO)n2)s1 670461904 RLONSXXSNBIAOU-UHFFFAOYSA-N 296.352 0.537 0 50 CCAA C[C@@H]1CCCCN1C1CN(C(=O)CCS(C)(=O)=O)C1 952981183 MEYAACGJQFSXOT-LLVKDONJSA-N 288.413 0.506 0 50 CCAA COC(=O)c1ccc(CN2CC[C@@H]3OCCN[C@H]3C2)nc1 403991520 JHBHASXQJULOKY-KBPBESRZSA-N 291.351 0.431 0 50 CCAA CCc1nccn1CC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@H]1COC 1565505710 IMKVGIQDKLHYKH-FDRIWYBQSA-N 293.367 0.612 0 50 CCAA Cc1nc2n(n1)CCN(C(=O)[C@H]1CCCO[C@H]1C)C2 408330124 QAUKTDFZRGEKGU-ONGXEEELSA-N 264.329 0.744 0 50 CCAA CNC(=O)Cn1cnc(NC(=O)C[C@@H]2C=CCCC2)n1 188278372 LALUTVWWBREGQE-SNVBAGLBSA-N 277.328 0.709 0 50 CCAA CO[C@@H]1CN[C@@H](C(=O)NCC(C)(C)c2ccncc2)C1 189318821 LTZJEKZQQPAOJT-QWHCGFSZSA-N 277.368 0.852 0 50 CCAA Cn1c(Cl)cnc1CN1C[C@H](F)C[C@H]1C(N)=O 583618997 SAAKUWIELSHSOU-RQJHMYQMSA-N 260.700 0.471 0 50 CCAA C[C@H]1CNCCN1S(=O)(=O)c1cc(Cl)cnc1N 193358965 MPHXTGOETBJFST-ZETCQYMHSA-N 290.776 0.300 0 50 CCAA CCc1ccccc1S(=O)(=O)N1CCN(C)C[C@H]1CO 585115438 ZYBNOYJAJHALEW-ZDUSSCGKSA-N 298.408 0.546 0 50 CCAA Cc1ccc([C@@H](O)CN2CC[C@@H](S(N)(=O)=O)C2)cc1 772220474 BATKRZLBGFTBGG-OLZOCXBDSA-N 284.381 0.391 0 50 CCAA CC(C)CN1CCN(C(=O)c2cnn(C)n2)[C@H](C)C1=O 790970024 CPDCZTJPHICWJD-SNVBAGLBSA-N 279.344 0.144 0 50 CCAA O=C(O)C1CN(C2CCN(C(=O)C3CCC3)CC2)C1 1506408573 TXQUIXKQGMQEGS-UHFFFAOYSA-N 266.341 0.794 0 50 CCAA Cn1ccc(-c2noc([C@]34CC[C@H]3CNC4)n2)cc1=O 1615058666 PGQUNFRISIUHIN-HZMBPMFUSA-N 272.308 0.686 0 50 CCAA O=C1C[C@@H](C(=O)N2CCC(c3nnc(O)o3)CC2)CCN1 1649791634 CXYHKDDNDYAFCH-VIFPVBQESA-N 294.311 0.007 0 50 CCAA CC(C)CN1CCN(C(=O)C2(CO)CC2)[C@@H](C)C1=O 1506412429 YHCCNEPXYJYAQJ-NSHDSACASA-N 268.357 0.474 0 50 CCAA NCCCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1704348396 UHXUNOGWCVOGFM-KGLIPLIRSA-N 291.351 0.098 0 50 CCAA Cc1nn[nH]c1C(=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1704300940 BXDPZTGYFFDUIH-NEPJUHHUSA-N 287.323 0.184 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1cscn1 128268538 NJEVGVNSAFRUGK-ZETCQYMHSA-N 256.283 0.459 0 50 CCAA C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1C[C@@H]1C(=O)O 262371748 GKSGQIFIHYKPJK-KYXWUPHJSA-N 257.286 0.017 0 50 CCAA O=C1C[C@@H]2CN(C(=O)Cc3ccc(O)c(F)c3)C[C@@H]2CN1 1775980540 CPGILNFFCVMYAM-MNOVXSKESA-N 292.310 0.668 0 50 CCAA CC[C@]12COC(=O)N1CCN(C(=O)c1cccc(O)n1)C2 1857674343 DSELTGLFNWQJNI-AWEZNQCLSA-N 291.307 0.844 0 50 CCAA O=C1N[C@H]2C[C@@H]1N(C(=O)c1ccn3nccc3c1)C2 1857709006 YWMWHJFOBZVCKE-ONGXEEELSA-N 256.265 0.047 0 50 CCAA C[C@@H]1CCO[C@H]1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 222328189 BAPGVHWJHISGSF-GGZOMVNGSA-N 280.299 0.893 0 50 CCAA O=C(N[C@@H]1CC=CCC1)N1CCN([C@H]2CCNC2)CC1 335299136 RWNWMGSQGYJIMO-KGLIPLIRSA-N 278.400 0.784 0 50 CCAA C[C@@H]1CN(C(=O)Cc2ccn(-c3ccccc3)n2)CC(=O)N1 335577264 VHSVWPKJSCVWKM-GFCCVEGCSA-N 298.346 0.762 0 50 CCAA Cc1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 19794684 GEWILGNCIWAYFB-UHFFFAOYSA-N 291.351 0.382 0 50 CCAA NC(=O)[C@@H]1CN(c2nc3ccccc3s2)C[C@@H]1C(N)=O 585117923 CENIYHPGZXZNLE-OCAPTIKFSA-N 290.348 0.319 0 50 CCAA C[C@@H]1CS(=O)(=O)CCN1Cc1cnn(CCF)c1 929694196 UUDLCGUWMXREHS-SNVBAGLBSA-N 275.349 0.472 0 50 CCAA C=CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1120462320 NICVNNZQLSAHPB-JTQLQIEISA-N 270.329 0.925 0 50 CCAA CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H](O)c1cnc[nH]1 865190605 BPNMQYQNMIQAAV-FRRDWIJNSA-N 278.356 0.528 0 50 CCAA CC1CCN(S(=O)(=O)N2CC[C@H]3CCNC[C@@H]32)CC1 1875268561 ZMMSMBUMDAEKPX-OLZOCXBDSA-N 287.429 0.647 0 50 CCAA CC(C)(C)CC(=O)NS(=O)(=O)C[C@H]1COCCO1 1875265702 ACZNQNXFGVIDDN-SECBINFHSA-N 279.358 0.284 0 50 CCAA C=CC(=O)NCC(=O)N[C@H]1COc2ccc(F)cc21 1875303132 XHJNZMLJPDITTN-JTQLQIEISA-N 264.256 0.678 0 50 CCAA Cc1nc(CC(=O)N2CCOC[C@H](C(=O)O)C2)cs1 700412149 JDHJBOZMKUYUJY-SECBINFHSA-N 284.337 0.554 0 50 CCAA COc1ccc(NC(=O)N[C@H]2CNC[C@@H]2O)cc1 699942914 LLLZGVSDACOJRG-QWRGUYRKSA-N 251.286 0.149 0 50 CCAA Cn1[nH]c(C(=O)NCCc2nc3c(s2)CCC3)nc1=O 2100534913 ZOARYNISHKBBIQ-UHFFFAOYSA-N 293.352 0.026 0 50 CCAA C/C=C/C(=O)O[C@@H]1C=C[C@H](O)[C@H](O)CCC(=O)O[C@H]1C 2332926208 UONWLSGBOITROJ-RDIGOKHQSA-N 284.308 0.478 0 50 CCAA CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O 2522658 ATIPDCIQTUXABX-UWVGGRQHSA-N 259.350 0.058 0 50 CCAA endogenous,in-man O=C(O)CCCNS(=O)(=O)c1ccc(F)cc1 2899017 BPQIMZMQDTUPAE-UHFFFAOYSA-N 261.274 0.969 0 50 CCAA COC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O 4352634 YCRKEXYTCFTDDC-NEPJUHHUSA-N 263.293 0.992 0 50 CCAA COc1ccc(CNCCOCCO)cc1OC 6582943 QFQGJHUIAMXWFO-UHFFFAOYSA-N 255.314 0.802 0 50 CCAA COC(=O)[C@H](C)N(C)C(=O)CCC(=O)NC1CCCC1 55309432 JBDMEPPIFIVQTO-JTQLQIEISA-N 284.356 0.845 0 50 CCAA CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O 55145669 FHQWMALYJBMVMD-STQMWFEESA-N 277.368 0.573 0 50 CCAA C[C@H](C(=O)NCCCn1ccccc1=O)n1ccnc1 66959437 TVFODPOFVKYAHF-GFCCVEGCSA-N 274.324 0.812 0 50 CCAA Cn1nc(C(=O)NCc2cn3ccccc3n2)ccc1=O 20598653 VAGOBLSZWMQOCZ-UHFFFAOYSA-N 283.291 0.358 0 50 CCAA CC1(C)NC(=O)N([C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)C1=O 349012532 JQZATPYLDMYVDU-FXPVBKGRSA-N 295.339 0.143 0 50 CCAA COCCN1C[C@H](C(=O)NCc2ccoc2)CC1=O 68118632 OAZRJEOMJLSDBM-LLVKDONJSA-N 266.297 0.391 0 50 CCAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1Cc1cccnc1N 67982633 UGWIXGONCVZDHF-RYUDHWBXSA-N 277.372 0.090 0 50 CCAA Cn1cnc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1 328810651 DYIVNFLDGORWKV-NSHDSACASA-N 274.328 0.564 0 50 CCAA Cc1nc(C)c(CNC(=O)c2cccn(C)c2=O)o1 329158564 DNFFLVWHSKZBNM-UHFFFAOYSA-N 261.281 0.920 0 50 CCAA CNS(=O)(=O)CCNc1ccccc1S(C)(=O)=O 231003825 HKDDABVVLZXRIB-UHFFFAOYSA-N 292.382 0.051 0 50 CCAA O=C(O)c1cc(=O)n(-c2ccc(S(=O)(=O)O)cc2)[nH]1 31319677 UCJKAZZVJXOLRP-UHFFFAOYSA-N 284.249 0.111 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@H]1CCOC[C@H]1C1CCOCC1 219172029 PZBMYVQJUIBPAA-RYUDHWBXSA-N 294.355 0.675 0 50 CCAA COC1(CC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCC1 234618852 VHKYUXKDXRNEKH-AWEZNQCLSA-N 295.339 0.146 0 50 CCAA CO[C@H]1CCC[C@@H](CC(=O)NCCc2nc(=N)[nH]o2)C1 331066530 QEUWWLOBHOFQIC-ZJUUUORDSA-N 282.344 0.736 0 50 CCAA CNCC(=O)N1CCN(Cc2cccc(OC)c2)C(=O)C1 71754484 UPSZUEAVIKIBFX-UHFFFAOYSA-N 291.351 0.085 0 50 CCAA CC(C)(C)c1cc(CN2CC[C@](O)(C(N)=O)C2)no1 368075911 SEGJKUURAXDCMK-CYBMUJFWSA-N 267.329 0.394 0 50 CCAA COCCN1CN(C(=O)c2[nH]c(C)cc2C)CC1=O 332680386 SGDPQCGJONOVCT-UHFFFAOYSA-N 265.313 0.520 0 50 CCAA Cc1cc(C)n(CC2(CNC[C@]3(O)CCNC3)CC2)n1 77470453 BQPNBPMQLKWEDF-HNNXBMFYSA-N 278.400 0.594 0 50 CCAA O=C1NCCN1C1CN(Cc2cccc3c[nH]nc23)C1 333812658 HBXQCBDLKSQDQP-UHFFFAOYSA-N 271.324 0.772 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)[C@H]1NCCc2[nH]cnc21 72429183 FJZVWBPVLMXTRA-ZDUSSCGKSA-N 289.339 0.860 0 50 CCAA CNC(=O)c1ccc(CNC(=O)C2CC(C)(O)C2)cc1 448660377 YGNXNNXBJYSPRS-UHFFFAOYSA-N 276.336 0.823 0 50 CCAA CCCN(C(=O)c1cccc(C)n1)[C@@H]1CC(=O)N(C)C1=O 283517695 LHXWUGOFUSTKJO-GFCCVEGCSA-N 289.335 1.000 0 50 CCAA O=c1c2cnc3ccnn3c2ccn1CCN1CCOCC1 40387634 MGGSPHWVYLQLKZ-UHFFFAOYSA-N 299.334 0.376 0 50 CCAA COCc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)O)N(C)C2)s1 426555894 MGPCJSCXTATDSS-SCZZXKLOSA-N 298.364 0.782 0 50 CCAA COc1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)ccn1 220728315 NWBPVKCHUGSYAB-YXCITZCRSA-N 291.351 0.538 0 50 CCAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)Cc1nc(O)n[nH]1 426504102 VOLSQENKCHRHCU-JTQLQIEISA-N 288.307 0.515 0 50 CCAA CN(CCCc1nccn1C)C(=O)[C@@H]1CCCO1 223330205 ICZKCACTSSHWIM-NSHDSACASA-N 251.330 0.990 0 50 CCAA O=c1c(I)c[nH]c2c1CNCC2 1535641115 FNGRUECYCCSYSG-UHFFFAOYSA-N 276.077 0.625 0 50 CCAA CCS(=O)(=O)CCNC(=O)c1ccnc(C(C)C)n1 426634142 ZUNKMKKIBZGCDO-UHFFFAOYSA-N 285.369 0.765 0 50 CCAA CCc1nnc(N2C[C@@H]3CC[C@H](C2)N(CCOC)C3=O)o1 95359840 ILZZWUVCKSSQQT-WDEREUQCSA-N 294.355 0.706 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)C[C@@H](C)O1 239762047 CKPRMOJIZPHQIN-DDHJBXDOSA-N 292.401 0.498 0 50 CCAA CCc1nc(N)nc(NCCCN2CCN(C)CC2)c1C 95382306 VYXLGXCICLDEIB-UHFFFAOYSA-N 292.431 0.979 0 50 CCAA CCC(CO)(CO)NC(=O)[C@@H](c1cccc(F)c1)N(C)C 92045738 FPTDMXIHVHDQOT-CYBMUJFWSA-N 298.358 0.678 0 50 CCAA COCCC[C@]1(C(=O)O)CCCN(CC(N)=O)C1 92062292 ABBDHNNDVILWNM-GFCCVEGCSA-N 258.318 0.065 0 50 CCAA CCCn1cc(CN2CCN(CC(=O)NC)CC2)c(C)n1 97137147 OCLLRTJLDVGOQD-UHFFFAOYSA-N 293.415 0.465 0 50 CCAA Cc1cnc(N2CCN(Cc3nccn3C)CC2)nc1 95365882 VIBVRQJBJXJZIA-UHFFFAOYSA-N 272.356 0.841 0 50 CCAA CC[C@@]1(CO)CCCN(Cc2noc(C(N)=O)n2)C1 91657308 XJXNMDQLLLSCTP-GFCCVEGCSA-N 268.317 0.153 0 50 CCAA Cn1nccc1-c1nccc(N2CCC[C@@H](O)C2)n1 534664041 XGPLJLPXSWIEPN-SNVBAGLBSA-N 259.313 0.838 0 50 CCAA CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CO)C1 143409209 XNHSBQOBPOGGFW-MRVPVSSYSA-N 265.331 0.013 0 50 CCAA CC[C@@H](NC(=O)Cn1nc(C)cc1N)c1cnn(C)c1 822662118 AMIMLGPNSHGOAD-LLVKDONJSA-N 276.344 0.775 0 50 CCAA CN1CCOC[C@H](CNC(=O)COCc2ccccc2)C1 584889850 ZMJJFNQNKHAOMD-OAHLLOKOSA-N 292.379 0.898 0 50 CCAA N[C@H]1CCC[C@@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 584893388 KNFSVLSESJOERF-RQJHMYQMSA-N 291.277 0.957 0 50 CCAA CCc1nnc(CN(C)C(=O)CCc2cn[nH]c2)o1 584904149 GUOUOWZPNGGSHE-UHFFFAOYSA-N 263.301 0.946 0 50 CCAA Cc1nc([C@H]2CCCN(C(=O)c3[nH]nnc3C)C2)no1 584902609 FKWKUWHVJHXSBO-VIFPVBQESA-N 276.300 0.824 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)[C@@H](C)Cn1cccn1 952968721 LEBCKHAQXLXGGO-NSHDSACASA-N 280.372 0.940 0 50 CCAA COC[C@@H]1[C@H](NC(=O)c2ccncc2)[C@H]2CCO[C@@H]12 1565525444 IOMXYRGHFLQTNZ-FDYHWXHSSA-N 262.309 0.861 0 50 CCAA O=C(CC[C@@H]1CCCO1)NS(=O)(=O)[C@@H]1CCOC1 408389730 NNDRLDWGJOMTKD-VHSXEESVSA-N 277.342 0.181 0 50 CCAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cncc(O)c1 275484829 BFYVUZXPROCDSI-RYUDHWBXSA-N 288.307 0.781 0 50 CCAA C[C@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)c1cn[nH]c1 276993487 XPIITFHRVMVOEQ-YWVKMMECSA-N 252.318 0.741 0 50 CCAA CCCOCC(=O)N1CCNC(=O)[C@H]1CC(C)C 189094469 CVACFZXKIPZOTF-LLVKDONJSA-N 256.346 0.786 0 50 CCAA COC[C@]1(C(=O)NCc2c(C)noc2C)CCCN1 643663869 DTEODDZBFZBBBQ-ZDUSSCGKSA-N 267.329 0.676 0 50 CCAA Cc1ncc(Cn2cc(Cn3cncn3)nn2)s1 656469221 FCKCDYSMNVKWPG-UHFFFAOYSA-N 261.314 0.731 0 50 CCAA Cc1cc(C(=O)O)c(N2CC[C@@H](CO)[C@@H](O)C2)nc1C 1615740701 ZJLLIGDHOQLYFH-JQWIXIFHSA-N 280.324 0.576 0 50 CCAA CN(C)C(=O)c1ccc(CNC(=O)c2nccn2C)o1 1506430134 WPESILAOLOQHFD-UHFFFAOYSA-N 276.296 0.645 0 50 CCAA Cc1ncoc1CNS(=O)(=O)CC[C@H]1CCCO1 907596798 APTDVXVGWDHVOD-SNVBAGLBSA-N 274.342 0.972 0 50 CCAA C[C@@H]1CN(C(=O)CCc2ccoc2)C[C@H]1C(N)=O 408473846 MRMNLRBVUAXYNS-MWLCHTKSSA-N 250.298 0.792 0 50 CCAA Cc1cc(C(N)=O)c(N[C@H]2CCCNC2=O)nc1C 1704338922 KXSMQOMCCJTOFZ-JTQLQIEISA-N 262.313 0.488 0 50 CCAA CC(=O)NCC(=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704357089 BTPBRPXABBXAIE-DGCLKSJQSA-N 254.330 0.276 0 50 CCAA CC(C)c1nc([C@H]2CN(C(=O)CO)CCO2)no1 373054740 WSEHOSNZXZKQRB-MRVPVSSYSA-N 255.274 0.085 0 50 CCAA OCC1(CO)[C@H]2CN(c3ncc(Cl)cn3)C[C@@H]21 1772707500 OKZABLNJYWEWTF-IUCAKERBSA-N 255.705 0.167 0 50 CCAA CN(C)C[C@@H]1OCCN(C(=O)CCO)[C@H]1c1ccccc1 1857732865 KXNWLJBSRITTSX-HOCLYGCPSA-N 292.379 0.899 0 50 CCAA O=C1C[C@@H](CN2CCc3[nH]nc(C4CC4)c3CC2)CN1 1857735476 PHTCIVGSTDIMSR-SNVBAGLBSA-N 274.368 0.824 0 50 CCAA CN1CC[C@@H](NC(=O)Cc2cnnn2C)[C@H]1c1ccccc1 613056463 GIOHUMCHLTXBAX-GDBMZVCRSA-N 299.378 0.919 0 50 CCAA C[C@H]1CN(C(=O)CN2CCC[C@H]2C(=O)O)C[C@@H](C)O1 237595469 JXHYIINDEUDTJJ-AXFHLTTASA-N 270.329 0.171 0 50 CCAA C=CC(=O)NCCNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 1118821864 RGRXELABVKGQJN-LSDHHAIUSA-N 294.351 0.527 0 50 CCAA CCO[C@@H]1COC[C@H]1NC(=O)[C@H](C)c1cnn(C)c1 1120656938 ZNBRHYAJAIILRT-YUSALJHKSA-N 267.329 0.444 0 50 CCAA CC1(C)CNC(=O)[C@@H]1NCCCNC(=O)c1cccs1 863982381 HARMQYUDPJQENE-NSHDSACASA-N 295.408 0.982 0 50 CCAA C[C@](O)(CN)CN1C[C@@H](CN)[C@H](c2ccccc2)C1 952878041 XXUZFUOJGYLBGP-ILXRZTDVSA-N 263.385 0.370 0 50 CCAA CCOc1cncc(=NS(=O)(=O)c2cnc(C)n2C)[nH]1 1875279943 MDBFFFRUUQFHEE-UHFFFAOYSA-N 297.340 0.140 0 50 CCAA C=CC(=O)N1CCC(C(=O)NC[C@@](C)(O)C(C)C)CC1 1875370290 JGOUPVTVEFOBKW-OAHLLOKOSA-N 282.384 0.934 0 50 CCAA NCCNS(=O)(=O)c1c(F)cccc1Br 195544454 DBHQTRMWCLXDJY-UHFFFAOYSA-N 297.149 0.825 0 50 CCAA O=C(NCCCc1nn[nH]n1)c1cc(Cl)c[nH]1 426552327 LEDOQPIIIJWLRT-UHFFFAOYSA-N 254.681 0.544 0 50 CCAA CO[C@H](C)c1noc(CN(C)[C@@H](C)C(=O)N(C)C)n1 331316197 IYJMWRVTPOUEGT-DTWKUNHWSA-N 270.333 0.686 0 50 CCAA COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@H](C)N 381767583 PMAFZFIVCQBVFA-NKWVEPMBSA-N 292.382 0.549 0 50 CCAA O=C(O)C[C@H](NC(=O)C1CCOCC1)C(F)(F)F 829374932 SJYRXIXPGWRBDG-ZETCQYMHSA-N 269.219 0.935 0 50 CCAA C[C@@H]1COCCN1Cc1cn(-c2ccnc(CO)c2)nn1 899718051 HLQNRLMGKWFSJI-LLVKDONJSA-N 289.339 0.375 0 50 CCAA O=C(COc1ccc(Cl)cc1)Nc1c[nH]c(=O)[nH]c1=O 70164 BPKJEYNZQNHTSK-UHFFFAOYSA-N 295.682 0.734 0 50 CCAA O=C(CO)N1CCC[C@]12CCCN(C1CC1)C2=O 2356144648 HBRLJPGMAFMHKV-ZDUSSCGKSA-N 252.314 0.125 0 50 CCAA O=C1NC[C@H]2CN(C(=O)c3ccccc3-n3cncn3)C[C@@H]12 2356164880 KOQVYVPRTLKVER-CMPLNLGQSA-N 297.318 0.085 0 50 CCAA O=S1(=O)CC[C@H](S(=O)(=O)NCc2ccccc2)C1 3681425 GMCFFZYHAXAPGE-NSHDSACASA-N 289.378 0.293 0 50 CCAA CCOc1ccc(NC(=O)C[C@H]2NCCNC2=O)cc1 4196918 NDZSXLUYOGYJKM-GFCCVEGCSA-N 277.324 0.502 0 50 CCAA O=C(O)CN(CC(=O)O)c1ccccc1C(=O)O 4640625 IKEUZCGOPYSHNN-UHFFFAOYSA-N 253.210 0.360 0 50 CCAA CC[C@H](C)n1c(S)nc2c1c(=O)[nH]c(=O)n2C 101013383 IQNDYRDUWZXBBD-YFKPBYRVSA-N 254.315 0.683 0 50 CCAA O=C1N[C@H](CC(=O)N2C[C@@H]3CNC[C@@H]3C2)c2ccccc21 102538554 DODMUDLEDMOVEV-UHIISALHSA-N 285.347 0.539 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)N(CC(C)C)C2CC2)C1 344540314 KNDIRDLLMZJUEO-STQMWFEESA-N 297.399 0.208 0 50 CCAA Cc1nc2c(c(NCCc3nncn3C)n1)CCNCC2 65435273 MCPACOBJVYCVJI-UHFFFAOYSA-N 287.371 0.256 0 50 CCAA Cc1n[nH]c(C)c1Cc1nc(CN2CCN(C)CC2)no1 67871297 QNJOKFAWEXEHDO-UHFFFAOYSA-N 290.371 0.748 0 50 CCAA COC(=O)[C@@]1(CNC(=O)C=C(C)C)C[C@@H]1S(C)(=O)=O 914131781 UCVPSHRSGKGBKZ-JOYOIKCWSA-N 289.353 0.045 0 50 CCAA C[C@@H](O)CNS(=O)(=O)c1cccc2ccncc12 914137360 BTJDSOIIUGLXNP-SECBINFHSA-N 266.322 0.894 0 50 CCAA CN1CCC[C@H]2CN(S(=O)(=O)C3CC3)CC[C@@H]21 122442003 RGRJWADPSXMMPV-JQWIXIFHSA-N 258.387 0.895 0 50 CCAA CCN1CC[C@@H](CNC(=O)C2=NN(C)C(=O)CC2)C1 121457726 HCGBVDBORVVDEQ-JTQLQIEISA-N 266.345 0.053 0 50 CCAA CSCC[C@H](O)C(=O)NCC1(Cn2cccn2)CC1 219068535 PAXPGBYAVMECKC-NSHDSACASA-N 283.397 0.894 0 50 CCAA Cc1nc([C@H]2CCCN(C(=O)Cc3nonc3C)C2)n[nH]1 215638746 UGAWXIYOYGEETC-JTQLQIEISA-N 290.327 0.753 0 50 CCAA COCc1ncc(-c2nccn2CCn2cnnc2)cn1 72435230 XCMCHLJBQRWSQA-UHFFFAOYSA-N 285.311 0.778 0 50 CCAA Cc1cc(C(=O)N(C)C2CCOCC2)nc(N)n1 216966855 UZEFUPWWRKLQKB-UHFFFAOYSA-N 250.302 0.618 0 50 CCAA Cn1cncc1CN1CCN(c2ncnc3nc[nH]c23)CC1 215081667 IHPHPVFZVXQSQB-UHFFFAOYSA-N 298.354 0.409 0 50 CCAA CCNS(=O)(=O)NC1CCN(CC2CC2)CC1 172448306 ZKPGISAWPRJNLC-UHFFFAOYSA-N 261.391 0.305 0 50 CCAA O[C@@H]1CCOC[C@H]1Nc1ncc(F)c(N2CCOCC2)n1 223202911 KXPMXGNWGQTDFJ-GHMZBOCLSA-N 298.318 0.014 0 50 CCAA CCNC(=O)[C@H]1CCN(C(=O)Cc2cccc(O)c2)C1 223643171 KBNZCFVANFWRBU-LBPRGKRZSA-N 276.336 0.919 0 50 CCAA CC(C)c1noc(CN2CCO[C@H](C)[C@H]2C(N)=O)n1 285275941 SXUQEIZRPAZIKD-SCZZXKLOSA-N 268.317 0.268 0 50 CCAA CCn1cc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)cn1 285279149 QKJIUTUNDQKALV-STQMWFEESA-N 280.372 0.694 0 50 CCAA CN(CCC(N)=O)C(=O)[C@@H]1COc2ccccc2C1 286264158 RJOFWAXVGDDIQU-NSHDSACASA-N 262.309 0.572 0 50 CCAA C[C@@H](CCC(=O)NCCn1cncn1)N1CCCC1 426474289 NZSDBOKGCYUNBO-LBPRGKRZSA-N 265.361 0.659 0 50 CCAA OCCn1ccnc1-c1cn(C2CCNCC2)nn1 91288810 VTCBIFUPAWEFGW-UHFFFAOYSA-N 262.317 0.058 0 50 CCAA COC[C@H](O)CN(C)C(=O)c1cnc(NC(C)C)nc1 96180829 YGKPCYDJGBBSJJ-LLVKDONJSA-N 282.344 0.376 0 50 CCAA CO[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nnc[nH]1 294149604 HGSZPHLGZOSGRN-UWVGGRQHSA-N 267.333 0.904 0 50 CCAA N#Cc1cnc(N2CCC([C@@H](O)C(N)=O)CC2)c(Cl)c1 299743974 NAMWVRSEEVFLKF-LLVKDONJSA-N 294.742 0.669 0 50 CCAA Cc1cc(=O)n(CCN2CCc3[nH]cnc3C2)c(O)n1 253537042 VDEMEZZLNWOJCM-UHFFFAOYSA-N 275.312 0.039 0 50 CCAA COC1CC(C(=O)NCC[C@]2(O)CCCOC2)C1 628008999 FCPJCHJFYBGJRW-GCZXYKMCSA-N 257.330 0.459 0 50 CCAA Cc1c[nH]c(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)n1 299800182 TXSICVXTGWSBCL-LLVKDONJSA-N 286.339 0.907 0 50 CCAA CCc1cnc(N2CC[C@H]3OCc4cnnn4[C@H]3C2)nc1 299781794 VXKKMXRKBNMVQA-QWHCGFSZSA-N 286.339 0.981 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ncccc1C 584887699 WWOXINHQFPGFBO-RYUDHWBXSA-N 263.341 0.839 0 50 CCAA CC[C@]1(O)CCCN(C(=O)CNC(=O)N(C)C)C1 584885137 YLVWOFLHGJGVQQ-LBPRGKRZSA-N 257.334 0.021 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cccc(N)n1 584885243 YMADVJYPNGTIGM-RYUDHWBXSA-N 278.356 0.501 0 50 CCAA O=C(CCc1ccncc1)NCCc1noc(CO)n1 670449748 LWLJJNSTGUDYAF-UHFFFAOYSA-N 276.296 0.248 0 50 CCAA CN(CCN(C)C1CC1)C(=O)C[C@H]1CCC(=O)N1C 408522107 DAIDSOXHMWWHMO-GFCCVEGCSA-N 267.373 0.550 0 50 CCAA COc1ccc2c(c1)C[C@@H](C(=O)NCC(=O)O)CO2 269160709 XTRUOWNQJXJLKW-SECBINFHSA-N 265.265 0.447 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC[C@@]1(C)C(=O)OC 275200508 CVNUGOWJTUSUNX-ZDUSSCGKSA-N 268.313 0.233 0 50 CCAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccon2)C1 276345837 HKOTVYCGBIVLKW-LBPRGKRZSA-N 279.340 0.857 0 50 CCAA CO[C@H]1CNC[C@H]1NC(=O)c1cnn(CC(C)C)c1C 170070305 GMAZURANWIGPIY-OLZOCXBDSA-N 280.372 0.564 0 50 CCAA C[C@H]1[C@@H](N)CCN1C(=O)Cc1cccc2c1CCNC2 638236035 UHMQLNNJWQAEQQ-NHYWBVRUSA-N 273.380 0.823 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(c2ncc(Cl)cn2)C1 643719818 LRIWZQDCHRANCY-CYBMUJFWSA-N 298.774 0.940 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1CC(=O)NCC(F)(F)F 643879344 QBRHWQIHPFNZAO-SNVBAGLBSA-N 298.261 0.231 0 50 CCAA CN(C)C1(CNC(=O)Nc2ccc(C3CC3)nn2)CC1 583650965 DHYKIKMNMDJYJV-UHFFFAOYSA-N 275.356 1.570 0 50 CCAA C/C(=C/c1ccco1)C(=O)NC[C@@H](O)CN1CCOCC1 585091061 RPNAMONNAXCYIQ-KIWPFMIBSA-N 294.351 0.492 0 50 CCAA OC[C@H]1CCCN1C[C@@H]1CCCN1CCC1OCCO1 195565949 FVWOJMYIKZJHRG-UONOGXRCSA-N 284.400 0.671 0 50 CCAA NCCc1n[nH]c(=O)n1-c1ccc(OC(F)(F)F)cc1 65495466 RYBFICADOGHBAN-UHFFFAOYSA-N 288.229 0.960 0 50 CCAA CCn1c(Cn2cc(C(N)=O)nn2)nc2c(F)cccc21 746469063 PQPDNKSERWCUQZ-UHFFFAOYSA-N 288.286 0.934 0 50 CCAA CN(C)[C@H]1CCN(CCn2cc(-c3ccncc3)nn2)C1 656444102 WPBPPCBKLYHTLS-AWEZNQCLSA-N 286.383 0.976 0 50 CCAA N[C@@H]1CC12CC(NC(=O)c1coc3c1C(=O)NCCC3)C2 1615545867 KNICYBNEBUTNDR-PZRTYGLHSA-N 289.335 0.565 0 50 CCAA COc1ccc([C@H](C(=O)O)N2CCNC(=O)CC2)cc1F 1506425377 FHUSIVCYECMCGB-CYBMUJFWSA-N 296.298 0.782 0 50 CCAA Cc1ncoc1CNS(=O)(=O)N(C)C1CCOCC1 907597695 LOWWLAGWBOLJFR-UHFFFAOYSA-N 289.357 0.428 0 50 CCAA O=C1CO[C@@]2(CCN(Cc3[nH]nc4ncccc34)C2)CN1 1775978234 DGENBRPDPSIAOA-AWEZNQCLSA-N 287.323 0.049 0 50 CCAA Cc1ccc(OCC(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc1 1875246997 IPOPDSORRWKDLJ-CTHBEMJXSA-N 293.319 0.017 0 50 CCAA C[C@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1N 333304552 QPQAPMJAMHTETN-JOYOIKCWSA-N 258.325 0.911 0 50 CCAA O=C1CC[C@H](NC(=O)c2cc[nH]c2)[C@@H]([C@H]2CCCO2)N1 356661232 DAOCPMYGFGUGBL-LOWVWBTDSA-N 277.324 0.571 0 50 CCAA COCc1nc(C(=O)Nc2ccn(CC(=O)O)n2)cs1 262967585 LAKLQZCOOZENDO-UHFFFAOYSA-N 296.308 0.823 0 50 CCAA C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C(=O)O)O1 909897166 ZMYHAZGGDFCFIR-GMSGAONNSA-N 279.296 0.213 0 50 CCAA C[C@H](O)[C@H](O)CN1CC[C@H](Oc2cccnc2N(C)C)C1 930486708 OXPZCBXZAMOOSZ-RWMBFGLXSA-N 295.383 0.342 0 50 CCAA Cc1nnsc1C(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 1262627357 PEQGZVVRYKPNCC-ZYUZMQFOSA-N 263.322 0.872 0 50 CCAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C(=O)NC2CC2)CC1 1263239510 NGKZUKDISBDHIN-ZIAGYGMSSA-N 299.374 0.786 0 50 CCAA CC(=O)C1CN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 952992831 KFHNHBZFZAXIPR-LLVKDONJSA-N 266.341 0.538 0 50 CCAA CCN1CCN(Cc2noc3c2COCC3)[C@@H](C)C1=O 1875271460 YKUDPQYMEZAITB-JTQLQIEISA-N 279.340 0.800 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCCC(=O)OC)CC1 1875365724 SORPUVQONRCJAH-UHFFFAOYSA-N 268.313 0.090 0 50 CCAA NC(=O)[C@H]1CCCN(C(=O)/C=C/CN2CCCC2)C1 1875338086 NKBBQQIQQYYLLI-FUEXJSSKSA-N 265.357 0.362 0 50 CCAA C=CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCNC1=O 1875374314 JWTXMYNUJQRLNV-VIFPVBQESA-N 283.328 0.024 0 50 CCAA Cc1cc(CN(C)C[C@@H](O)COC[C@H]2CCCO2)no1 247921393 NVVWOHLFDIIPGC-ZIAGYGMSSA-N 284.356 0.971 0 50 CCAA CC(C)(C)OC(=O)CN1C(=O)NC2(CCNCC2)C1=O 1772716082 OAWDTYKWVXGDJC-UHFFFAOYSA-N 283.328 0.002 0 50 CCAA CS(=O)(=O)C[C@@H](O)CNc1nc2c(F)cccc2o1 896190800 HZOAKWOHBWRIFO-ZETCQYMHSA-N 288.300 0.784 0 50 CCAA COc1cccc(O)c1S(=O)(=O)N1CC[C@]2(CCO2)C1 1775993937 XLTCMCCQRDTDEZ-ZDUSSCGKSA-N 299.348 0.954 0 50 CCAA O=C(C[C@@H]1CCCO1)N1CCc2[nH]ccc(=O)c2C1 1776000008 RZXNQJFXYJQDNH-JTQLQIEISA-N 262.309 0.829 0 50 CCAA CN(CCN1CCCC1)c1nc(N)nc2nc[nH]c12 164969360 KPEQDSAFBLPPMM-UHFFFAOYSA-N 261.333 0.467 0 50 CCAA CNc1cc(N2CCC[C@@H](NS(C)(=O)=O)C2)ncn1 703132475 LFILNXDOAYXZDF-SECBINFHSA-N 285.373 0.036 0 50 CCAA Nc1ncc(C(=O)N2CCN(CC3CC3)CC2)s1 584901210 ZMFXEIGNHQILGT-UHFFFAOYSA-N 266.370 0.893 0 50 CCAA Cc1[nH]nc(NC(=O)CN2CCN(C)C2=O)c1Cl 2100536884 DAXWFHZVACKVDQ-UHFFFAOYSA-N 271.708 0.677 0 50 CCAA COC(=O)C1CC(C(=O)OC)CC(C(=O)OC)C1 56800 ZZNOMLSSCRBRJS-UHFFFAOYSA-N 258.270 0.538 0 50 CCAA COCCNC(=O)C(=O)NCCc1ccc(OC)cc1 2860275 ZOYMUZZHSMEBON-UHFFFAOYSA-N 280.324 0.117 0 50 CCAA CCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 2842757 WYXUETUYERGDAN-UHFFFAOYSA-N 278.355 0.022 0 50 CCAA Cc1ccc(C)c(OCC(=O)NC(C)(CO)CO)c1C 55343252 FHUVZQLRYYQXIR-UHFFFAOYSA-N 281.352 0.850 0 50 CCAA COc1cc(C(=O)NCCc2cnn(C)c2)nc(OC)n1 20389582 UIWGTECWUDYMKP-UHFFFAOYSA-N 291.311 0.200 0 50 CCAA COc1ccc(C(=O)N[C@H]2CCN(C)C2=O)c(OC)n1 20867023 XDOMRMDATKVBSP-VIFPVBQESA-N 279.296 0.059 0 50 CCAA COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 21983995 CXJROCRSZVELMK-SECBINFHSA-N 258.318 0.711 0 50 CCAA O=S(=O)(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)C1CC1 252480925 CGJNZANXNGVAJY-JQWIXIFHSA-N 289.397 0.636 0 50 CCAA CCCc1cc(C(=O)N2CCN(CC)C(=O)C2)no1 77520393 DPAKRABMSFVEQG-UHFFFAOYSA-N 265.313 0.931 0 50 CCAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cn[nH]c1 215200150 KRUKHAZWPYFILJ-ZDUSSCGKSA-N 278.356 0.783 0 50 CCAA COC[C@H](C)C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328626579 LWXMSSBHDPUVEM-QWRGUYRKSA-N 266.345 0.507 0 50 CCAA CCN1CCN(C(=O)[C@@H]2CCOC2)C[C@H]1c1nccn1C 328619704 GCWSDCLZGIIORS-OLZOCXBDSA-N 292.383 0.662 0 50 CCAA O=C(Cn1c(=O)[nH]c2ccccc21)Nc1cn[nH]c1 122699817 QOPDPIDPSGAKGD-UHFFFAOYSA-N 257.253 0.691 0 50 CCAA CCNC(=O)c1cccc(CNC(=O)C2(C(=O)O)CC2)c1 154799625 QGFDMXFWRNLCDK-UHFFFAOYSA-N 290.319 0.917 0 50 CCAA CCC[C@@]1(CO)CCCN1C(=O)[C@H](C)n1cncn1 331284613 FXOAFYFRABDSQP-AAEUAGOBSA-N 266.345 0.993 0 50 CCAA CCNC(=O)CN1CCN(Cc2cnn(CC)c2)CC1 72167992 FMTJMGREQJIMTN-UHFFFAOYSA-N 279.388 0.157 0 50 CCAA CCn1nc(C)c(C(=O)NC[C@@H](CO)[C@H]2CCOC2)c1C 280880670 ZKZSNEDWHWMCHC-STQMWFEESA-N 295.383 0.895 0 50 CCAA COCCN1CC[C@H](c2nc(-c3cccnn3)no2)C1 91636325 TVGHMZULDULOIR-JTQLQIEISA-N 275.312 0.962 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)NCCN1CCCC1 95373725 FHHFZRBYXTZANH-UHFFFAOYSA-N 277.372 0.677 0 50 CCAA C[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@]1(C)O 91562712 GOEQSLVLGDHWDN-MFKMUULPSA-N 254.330 0.228 0 50 CCAA CCn1ccnc1CN1CCN(c2ncc[nH]c2=O)CC1 97756436 BDCZCYJYHMRCQF-UHFFFAOYSA-N 288.355 0.309 0 50 CCAA Cc1ccc(Br)c(S(=O)(=O)NCCN)c1 237782126 YBCSEEAJSGOFKI-UHFFFAOYSA-N 293.186 0.995 0 50 CCAA CN1CC[C@H]2CN(C(=O)c3ccns3)C[C@@]2(C(=O)O)C1 92046785 ISFVHBFFLUBYSD-ZANVPECISA-N 295.364 0.622 0 50 CCAA CNC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)COC)C1 1413551279 FQYSZYCYOXKXOS-SNVBAGLBSA-N 271.361 0.579 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1cccc2c1OCO2 299748265 GQJFMULCTWJXPB-VIFPVBQESA-N 279.248 0.341 0 50 CCAA COc1cc(C(=O)NC[C@@H]2CN(C(C)=O)CCO2)ccn1 534647257 JGMRJYWKMCZGIL-GFCCVEGCSA-N 293.323 0.067 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)Cc1ccccn1 534674631 YSDVTNISUVTDHO-RYUDHWBXSA-N 250.298 0.544 0 50 CCAA O=C(COCC(F)(F)C(F)F)N[C@H]1CCCNC1=O 534664642 GETMIRWNVQGLTE-LURJTMIESA-N 286.225 0.298 0 50 CCAA CN(C)CCNC(=O)C1(S(=O)(=O)c2ccccc2)CC1 299763764 RHXIWRNAPKGMBC-UHFFFAOYSA-N 296.392 0.671 0 50 CCAA COCC[C@H]1CN(CC(C)(C)N2CCOCC2)CCO1 824384131 MZHUBKFYZYOSQQ-AWEZNQCLSA-N 286.416 0.835 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(C(=O)CCCn3cccn3)C[C@H]21 828540644 WTIJQKQATSKSJB-IAZYJMLFSA-N 263.297 0.452 0 50 CCAA C[C@@H](NC(=O)C(=O)c1cccn1C)c1nnc(N)s1 584886047 KTUFSUYXYZKNBN-ZCFIWIBFSA-N 279.325 0.519 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc(C)nc(C)c1C 664268827 MALMJUDXBDITCP-GHMZBOCLSA-N 285.369 0.626 0 50 CCAA CC[C@@H](NC(=O)Cn1cnnn1)c1ccc(C)cn1 584890638 ZCWNMCYKMBPOAG-SNVBAGLBSA-N 260.301 0.644 0 50 CCAA COCCn1cnnc1CN(C)Cc1nonc1C 670445306 HHILYGGKRVSXMJ-UHFFFAOYSA-N 266.305 0.248 0 50 CCAA Cn1nc(CNC(=O)N2C[C@@H]3CC[C@@]3(N)C2)cc1C1CC1 1551478696 SGJSWZODZNHKFK-XHDPSFHLSA-N 289.383 0.930 0 50 CCAA Cc1nc([C@H](N)C2(O)CN(C(=O)OC(C)(C)C)C2)cn1C 958527818 FGSNAEXXGAHDIP-NSHDSACASA-N 296.371 0.710 0 50 CCAA CC(C)n1nccc1NC(=O)N1CC(=O)N(C)C(=O)C1 170085191 IOLUFXCMMURZAU-UHFFFAOYSA-N 279.300 0.297 0 50 CCAA Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cn1 170613291 QXTQLQXHJJQAHD-UHFFFAOYSA-N 283.353 0.289 0 50 CCAA C[C@H]1COCC[C@@H]1NC[C@H]1CCCN1S(C)(=O)=O 170619059 PIHKDPHREDFUDD-TUAOUCFPSA-N 276.402 0.425 0 50 CCAA CCOC1CC(C(=O)N=c2ccn([C@H]3CCNC3)[nH]2)C1 638177625 DBSXTAVZVBYANJ-CXQJBGSLSA-N 278.356 0.593 0 50 CCAA CO[C@@H]1CCN(S(=O)(=O)CCn2ccnc2)C[C@@H]1C 641521061 FHQHRODENKCINK-NWDGAFQWSA-N 287.385 0.570 0 50 CCAA CCO[C@@H]1C[C@@](O)(CNC(=O)c2ccon2)C1(C)C 191735000 MHCHAIQCQHSLTR-ZWNOBZJWSA-N 268.313 0.971 0 50 CCAA CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCCC2)CC1 195163684 OLUVNQFZUKULCY-AWEZNQCLSA-N 293.411 0.942 0 50 CCAA O=C(NC[C@@H]1COCCO1)c1cc(O)nc(C2CC2)n1 654555562 YVUWHKOHXTZFIC-SECBINFHSA-N 279.296 0.205 0 50 CCAA COC(=O)C[C@@H](C)CN1CCN(C)[C@H](c2nc(C)no2)C1 585117142 RZGMMTPLYYIKGL-PWSUYJOCSA-N 296.371 0.866 0 50 CCAA COC(=O)Cc1cccc(B(O)OC(C)(C)C(C)(C)O)c1 169980341 DNSBRALWUUDFMH-UHFFFAOYSA-N 294.156 0.656 0 50 CCAA CN1C(=O)CCC[C@@H]1C(=O)N1CC(OC(F)F)C1 907583624 YSFKXFUEEFEXGQ-MRVPVSSYSA-N 262.256 0.447 0 50 CCAA Cc1cnc(CN(C)C(=O)[C@H]2CC[C@@H](N)[C@H](O)C2)[nH]1 1857737527 RALZRYYMGFPBMA-HBNTYKKESA-N 266.345 0.165 0 50 CCAA CO[C@H](C(=O)N1CC[C@H](C)C[C@@H]1C(N)=O)C1CC1 408462739 AHLHLQYQYASRSN-GDPRMGEGSA-N 254.330 0.524 0 50 CCAA CCOC[C@H]1CCCN(S(=O)(=O)c2cnnn2C)C1 330172061 XTCGPVOBYLZZGU-JTQLQIEISA-N 288.373 0.252 0 50 CCAA Cc1cc(C(=O)N(CCO)Cc2ncc[nH]2)on1 1704314492 SRHRHQMDNDGUAR-UHFFFAOYSA-N 250.258 0.341 0 50 CCAA CCN(CC)c1ncccc1CNC(=O)Cn1cnnn1 12302770 OPRRSJHFMKMWSP-UHFFFAOYSA-N 289.343 0.231 0 50 CCAA O=C1C[C@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]2N1 1857680337 HAJQCFANIXJMCN-NWDGAFQWSA-N 272.304 0.582 0 50 CCAA CCCc1cc(CN(C)C(=O)[C@H]2CC[C@H](N)[C@@H](O)C2)n[nH]1 1857712909 WSSHSAOZJZVZER-BPNCWPANSA-N 294.399 0.809 0 50 CCAA Cc1c(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)cnn1C 574071229 DWUGAPLTIVGIHE-UHFFFAOYSA-N 290.327 0.572 0 50 CCAA CC(=O)N1CCc2nc(C(=O)NC(C)C)cn2CC1 1875247380 UOHKZZRAMHDSRS-UHFFFAOYSA-N 264.329 0.426 0 50 CCAA Cn1ncc(I)c1C(=O)O 35823 SZRMOKQNOJYMNK-UHFFFAOYSA-N 252.011 0.723 0 50 CCAA in-vitro CCc1ccccc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 617884717 KSIFNFJOOOYOEX-STQMWFEESA-N 297.376 0.791 0 50 CCAA NC(=O)C[C@H]1CN(Cc2cccc3c2CCOC3)CCO1 639895578 COJLDUVLWHHHRM-AWEZNQCLSA-N 290.363 0.836 0 50 CCAA C[C@H](NS(=O)(=O)[C@@H]1CCCOC1)[C@H]1CCCNC1 252484923 GKMXYMXNKMKPSN-SDDRHHMPSA-N 276.402 0.473 0 50 CCAA CCCCCOCC(=O)N1C[C@H](O)C[C@H]1COC 585090557 LYFKDMNMOUKUFD-NWDGAFQWSA-N 259.346 0.801 0 50 CCAA CC1(C)C(C)(C)C1(C(=O)O)C(=O)N[C@@H]1CCCCNC1=O 901609219 GHLUKCCFLRCQOX-SECBINFHSA-N 296.367 0.908 0 50 CCAA C=CC(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 1857786888 KVIPONYHKZUQFA-SECBINFHSA-N 266.297 0.097 0 50 CCAA NC(=O)c1n[nH]cc1NC(=O)c1cc(C2CC2)on1 1146917085 OPXWYBUWQLBIFD-UHFFFAOYSA-N 261.241 0.626 0 50 CCAA Cn1c(C(=O)N2CCCc3n[nH]cc3C2)cccc1=O 952894200 XJEKROQMCOBWTG-UHFFFAOYSA-N 272.308 0.697 0 50 CCAA CCn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ncn(C)n1 886026678 HJSIIGWUBIQWGE-ONGXEEELSA-N 290.327 0.292 0 50 CCAA COC1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1772110915 FLYGVIRGNXWEDW-UHFFFAOYSA-N 270.354 0.949 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 249653609 YXEOHPZNMAUYOL-SVNGYHJRSA-N 298.364 0.681 0 50 CCAA O=C(NC[C@]1(O)CCNC1)c1cccc(OC(F)F)c1 72165939 CKDLENLBVVBJNI-ZDUSSCGKSA-N 286.278 0.742 0 50 CCAA O=C(c1ccc2c(c1)OCO2)N1CCOC[C@H](CO)C1 77408302 NOZXGIOJVQWJRU-JTQLQIEISA-N 279.292 0.496 0 50 CCAA CCc1cnc(NCCS(=O)(=O)N(C)C)nc1 95387071 UHYAVFWIPBTUKW-UHFFFAOYSA-N 258.347 0.342 0 50 CCAA CCCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 2944582 GATKYYYXCGDNFU-UHFFFAOYSA-N 294.351 0.889 0 50 CCAA CCOC(=O)c1cnn(Cc2cc(Cl)n(C)n2)n1 882211869 JDJMHGURXJYVQS-UHFFFAOYSA-N 269.692 0.890 0 50 CCAA O=C1C=C(N(CCO)CCO)C2(CCCCC2)O1 50883 AXYZXOJHVZWKRJ-UHFFFAOYSA-N 255.314 0.417 0 50 CCAA CN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1 201631 XKZDSAVFHPKHNV-WDEREUQCSA-N 254.330 0.651 0 50 CCAA COc1ccccc1CC(=O)N1CCC(C(N)=O)CC1 235709 XZWTVUHJHPFWPD-UHFFFAOYSA-N 276.336 0.962 0 50 CCAA O=C(c1cnc2cccnn12)N1CCC[C@]12CCCNC2=O 2356141125 WDFOLMCVFUTITA-HNNXBMFYSA-N 299.334 0.614 0 50 CCAA COC(=O)C(=CNc1ccc2c(c1)nnn2C)C(=O)OC 2532342 SEVSSDNHAJFOIF-UHFFFAOYSA-N 290.279 0.610 0 50 CCAA CC(=O)N1CCC[C@@H](c2nnc3n2CCOCC3)C1 2356168727 CSILNLINUQXLTG-LLVKDONJSA-N 264.329 0.577 0 50 CCAA O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)O)c2ccccc21 3882136 BBYDVCBRFNLCJZ-ONGXEEELSA-N 261.233 0.931 0 50 CCAA biogenic C[C@H](C(=O)NCCN(C)C)N1C(=O)c2ccccc2C1=O 4320868 ARAPWEBGKAJFBP-SNVBAGLBSA-N 289.335 0.349 0 50 CCAA NC(=O)[C@@H](O)CNC(=O)Nc1ccc(Cl)cc1 225661944 VNKKNYLTXOYKCS-QMMMGPOBSA-N 257.677 0.308 0 50 CCAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCNC[C@H]2C)C1 226639693 FMGZGNDUDRZCCT-IJLUTSLNSA-N 275.418 0.503 0 50 CCAA O=C(COC[C@@H]1CCCCO1)N1CCc2[nH]ncc2C1 20865226 MWGGTOISNMTPNM-LBPRGKRZSA-N 279.340 0.880 0 50 CCAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cn[nH]c1 409413185 FJLHHOPTGHKZPY-LLVKDONJSA-N 299.290 0.489 0 50 CCAA biogenic CN(C)c1nccnc1N(C)CCN1CCOCC1 302189813 KLHLIWWOJHFBSA-UHFFFAOYSA-N 265.361 0.311 0 50 CCAA CC(C)C[C@@H](C(N)=O)n1cnc2ncccc2c1=O 32540577 JFVGGMNTZAFBIS-JTQLQIEISA-N 260.297 0.864 0 50 CCAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CC[C@H](O)C1 216350190 LFRAFQZRRHCULH-JTQLQIEISA-N 250.298 0.209 0 50 CCAA CS[C@@H](C)C(=O)Nc1ccn([C@@H]2CCNC2)n1 328621974 IDFLADOOTIUTRC-DTWKUNHWSA-N 254.359 1.108 0 50 CCAA NC(=O)COc1ccc(NC(=O)c2ncccc2O)cc1 357117978 PVLCKRKUZWNOCJ-UHFFFAOYSA-N 287.275 0.904 0 50 CCAA CO[C@H](C)CC(=O)N(CC(=N)O)C[C@@H]1CN(C)CCO1 328654186 XHMVYFUZLKJCEH-MNOVXSKESA-N 287.360 0.106 0 50 CCAA Cc1nc(C)c(CC(=O)N2CCC(=O)N(C)CC2)s1 215843254 PRGHJSHTRRHDJG-UHFFFAOYSA-N 281.381 0.993 0 50 CCAA CC[C@@H](O)CN1CCN(c2ncc(C)c(C)n2)CC1 152268081 NNEOJURNWLGWNR-CYBMUJFWSA-N 264.373 0.986 0 50 CCAA O=C(NC1CCS(=O)CC1)c1nnc2ccccc2n1 329446975 BSLDIFAEXYLDNJ-UHFFFAOYSA-N 290.348 0.666 0 50 CCAA C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H](C2CC2)O1 329929681 ZAOYMEYUICGTEW-PSASIEDQSA-N 252.318 0.108 0 50 CCAA COc1cccc2c1OC[C@@H](NC(=O)C(=O)O)C2 364885607 UAFLPGMZMRXCSY-QMMMGPOBSA-N 251.238 0.200 0 50 CCAA COCCN1CN(C(=O)N(C)CC(F)(F)F)CC1=O 330416443 OJQKMAZTNLLDGO-UHFFFAOYSA-N 283.250 0.349 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)CCCn1cncn1 219607236 BSAHQWBYHRLBEJ-LBPRGKRZSA-N 276.344 0.850 0 50 CCAA Nc1nnc(CCCNC(=O)c2ncccc2O)s1 219847888 PTHJBNQFRQTRHR-UHFFFAOYSA-N 279.325 0.584 0 50 CCAA COc1ccc(CC[n+]2cc(=N)o[nH]2)cc1OC 33673610 ARLJSGXZTYZFOW-UHFFFAOYSA-N 250.278 0.635 0 50 CCAA Cc1cc(C)nc(N2CCN(C(=O)c3cn[nH]c3)CC2)n1 157489435 UNFMVXSXINYGIW-UHFFFAOYSA-N 286.339 0.779 0 50 CCAA C[C@H](NC(=O)c1cc(N(C)C)ccn1)c1nnnn1C 239722380 CCNWUSZHWGYICF-QMMMGPOBSA-N 275.316 0.162 0 50 CCAA Cc1nccn1CCN(C)C(=O)COC[C@@H]1CCCO1 223080133 FOGBXNATVZOOPK-ZDUSSCGKSA-N 281.356 0.846 0 50 CCAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccc[nH]1 220754015 PRSPNUSQLCDUQR-PSASIEDQSA-N 268.269 0.003 0 50 CCAA NC(=O)C1(N2CCCCC2)CCN(c2ncncn2)CC1 220629410 MMLKDRBMEAERIW-UHFFFAOYSA-N 290.371 0.182 0 50 CCAA CN(C)C1CCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 426727456 KTMPGDOVFUESEA-NSHDSACASA-N 291.399 1.093 0 50 CCAA CN1CCCC[C@@H]1CC(=O)NCCc1ncc[nH]1 426705661 JDYCKWUSIROOCX-LLVKDONJSA-N 250.346 0.943 0 50 CCAA Cc1nc(CNC(=O)C2CCN(C(C)C)CC2)cc(=O)[nH]1 95519682 OGWMDZMVURBOMH-UHFFFAOYSA-N 292.383 0.815 0 50 CCAA CC(=O)N1C[C@@H]2CN(Cc3cscn3)C[C@]2(C(=O)O)C1 247921961 HPFVUQYFQJOQPI-GWCFXTLKSA-N 295.364 0.508 0 50 CCAA CCOC(=O)[C@@]12CNC(=O)[C@H]1CN(Cc1ccccc1)C2 601014159 AEIQIDJIDDKKDS-CZUORRHYSA-N 288.347 0.798 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C2(N)CCCCC2)CC1=O 299753164 XCWXBHHOMWJQNK-WOPDTQHZSA-N 279.384 0.774 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)C1(O)CCCCC1 299751715 RIVRWBSSBCMZNH-GHMZBOCLSA-N 266.341 0.419 0 50 CCAA COc1cc(C(=O)N[C@@H](C)CN2CCOCC2)ccn1 534589594 HGNAXHNHQLHQDO-NSHDSACASA-N 279.340 0.541 0 50 CCAA CN(Cc1nncn1C)C(=O)[C@@H]1CCCCN1C 635931450 RDKBOQBHVHWULT-JTQLQIEISA-N 251.334 0.258 0 50 CCAA CC(C)n1ccnc1CNC(=O)CN1CCC[C@@H](O)C1 828627356 HPKHNZWCNIMMEQ-GFCCVEGCSA-N 280.372 0.537 0 50 CCAA Cc1cc(C)n(CCN(C)CC(=O)Nc2ccn(C)n2)n1 670444321 MPBKWEOMSIAXDD-UHFFFAOYSA-N 290.371 0.804 0 50 CCAA CN(C)C(=O)[C@@H]1CN(CC(=O)N2CCCCCC2)CCO1 670455248 NCENLUSZPQCBFH-ZDUSSCGKSA-N 297.399 0.178 0 50 CCAA C[C@@H](CN1CCOCC1)NCC(=O)NC(C)(C)C 49505269 YPOFSOMGKIEFKN-NSHDSACASA-N 257.378 0.211 0 50 CCAA CCN(CCN1CCOCC1)C(=O)[C@@H]1CC(C(C)C)=NO1 952860675 QZUKPQJHFPHYJC-AWEZNQCLSA-N 297.399 0.968 0 50 CCAA Nc1ncc(/C=C/C(=O)NCCN2CCCCC2=O)cn1 952982839 PTTMTHAOHJRUBL-SNAWJCMRSA-N 289.339 0.201 0 50 CCAA NS(=O)(=O)[C@@H]1CCN(C(=O)c2cccs2)C1 408142755 RDRHEHBCGMSMIN-SSDOTTSWSA-N 260.340 0.251 0 50 CCAA Cn1nnnc1SCCC(=O)c1ccc(O)cc1O 408523241 IDEKYOSAIBPWQK-UHFFFAOYSA-N 280.309 0.986 0 50 CCAA CCC(=O)N1CC[C@H](Nc2ccc3nnc(C)n3n2)C1 268527560 HLNNWXXMFLDCBU-JTQLQIEISA-N 274.328 0.856 0 50 CCAA CCc1ccccc1S(=O)(=O)N1CCOC[C@H]1CO 585115320 WCCZNWSNJUWSDW-GFCCVEGCSA-N 285.365 0.631 0 50 CCAA C[C@@H](CNC(=O)N[C@H]1C[C@@H](C)n2ncnc21)N(C)C 661274176 FOHLHTXGZRGHPF-UTLUCORTSA-N 266.349 0.533 0 50 CCAA Cc1cc2c(cc1C)[C@@H](C(=O)NC1(C(N)=O)CC1)CO2 186390986 VDXYVBULCBGXTR-NSHDSACASA-N 274.320 0.914 0 50 CCAA Cc1ccc(O)cc1C(=O)N1CCOC[C@H](C(=O)O)C1 704019076 LOUQLLYGMNTRIN-SNVBAGLBSA-N 279.292 0.874 0 50 CCAA CC(C)N1CC[C@@H](NC(=O)c2cccc3nn[nH]c23)C1=O 187990221 WZTGCPNTPKUWCA-LLVKDONJSA-N 287.323 0.697 0 50 CCAA CCN(CC(N)=O)C(=O)[C@@H]1OCCc2ccccc21 189729360 LHNPPRLRDVTQEH-CYBMUJFWSA-N 262.309 0.634 0 50 CCAA NS(=O)(=O)C1(C(=O)N2CCc3cc(F)ccc3C2)CC1 577520231 PJCKIUOAHBIHCW-UHFFFAOYSA-N 298.339 0.532 0 50 CCAA Cc1nc2c(C(=O)N3CCN4C(=O)CC[C@@H]4C3)ccnc2[nH]1 797966179 JQJFOXNUQTXMDG-SNVBAGLBSA-N 299.334 0.713 0 50 CCAA Cc1cc(C(N)=O)c(N2CCO[C@@H](C(=O)O)C2)nc1C 1704315672 BDFASSZYQOEZMN-SNVBAGLBSA-N 279.296 0.087 0 50 CCAA O=C([C@H]1COc2ccccc21)N1CCO[C@]2(CCNC2)C1 1616040502 NKUWHSOUZYCDHB-BBRMVZONSA-N 288.347 0.754 0 50 CCAA Cc1c(C(=O)N2CC[C@]3(CNC(=O)C3)C2)ccc2cncn12 1645741988 GMGQIVCXNSUBKI-INIZCTEOSA-N 298.346 0.995 0 50 CCAA O=S(=O)(c1cn[nH]c1)N1CCC[C@H](C2(O)CC2)C1 1772818648 IVGKKQRSFSRIKW-VIFPVBQESA-N 271.342 0.335 0 50 CCAA CCCCNC(=O)CN(C)c1cncc(C(=O)N(C)C)n1 1506412507 ZHUATWCBHNEJJZ-UHFFFAOYSA-N 293.371 0.531 0 50 CCAA COC[C@H]1CCCN(S(=O)(=O)N2CCSCC2)C1 1506397799 HZGAAYCYLFNTIN-NSHDSACASA-N 294.442 0.638 0 50 CCAA CO[C@@H]1[C@H](C)[C@H](NC(=O)C2(S(C)(=O)=O)CC2)C1(C)C 408205037 PLJZHZBSYXJNRW-KXUCPTDWSA-N 289.397 0.739 0 50 CCAA CNC(=O)[C@@H]1CCCN1c1ncc(Br)cn1 111751858 JQLHKBDQNJZPRU-QMMMGPOBSA-N 285.145 0.954 0 50 CCAA Cc1cc(CC(=O)N2CC[C@](C)(C(=O)O)C2)no1 237593768 QAFMXHWGLALCJA-LBPRGKRZSA-N 252.270 0.849 0 50 CCAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccco1 225713512 ZUDXEKSVPTUSMF-CHWFTXMASA-N 265.265 0.774 0 50 CCAA C[C@]1(O)CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)C1 375090246 NPDHWJHOZBKISA-ONGXEEELSA-N 296.289 0.233 0 50 CCAA O=C(c1ccnc(NC[C@@]2(O)CCNC2)c1)N1CCCC1 1704330331 BILIMGSAPQABBX-OAHLLOKOSA-N 290.367 0.454 0 50 CCAA CC(=O)N1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC1 232456532 JMQRUOAHGGAUEN-NEPJUHHUSA-N 282.340 0.568 0 50 CCAA OC[C@@]12CNC[C@H]1CN(c1ncc(Cl)cn1)C2 1772707196 TXDLPHVATQSELF-KWQFWETISA-N 254.721 0.148 0 50 CCAA O=C(CC1CCCC1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772708635 JPSGCNQRCYPSRV-TXEJJXNPSA-N 253.342 0.626 0 50 CCAA O=C(CCCc1cn[nH]c1)N1CCC([C@@H](O)CO)CC1 1772815438 RIAVAJGYBADFEN-ZDUSSCGKSA-N 281.356 0.324 0 50 CCAA O=C(CN1C[C@@H]2[C@@H](C1)C2(CO)CO)Nc1ccccc1 1772711357 SUOUWPVLOHAQOT-CHWSQXEVSA-N 276.336 0.158 0 50 CCAA CCc1nc(CN(C)c2ncc3cn[nH]c3n2)no1 1857666009 RQLALRCOAPVTJT-UHFFFAOYSA-N 259.273 0.935 0 50 CCAA Cn1cc([C@@]2(C)CN(C(=O)CNC3CC3)CCO2)cn1 237709528 HLBRHYAFHJKESM-CQSZACIVSA-N 278.356 0.246 0 50 CCAA COCCN1CN(C(=O)NC[C@H]2CC[C@@H](C)C2)CC1=O 252478072 ACDYXUWIKNGGPI-NEPJUHHUSA-N 283.372 0.880 0 50 CCAA COc1ccnc(N2CCN(C(=O)[C@H]3CCOC3)CC2)c1 264156462 ICSISLLEDVGSRL-LBPRGKRZSA-N 291.351 0.775 0 50 CCAA C[C@H](NC(=O)C1(O)CCOCC1)c1ccccn1 1116664283 DFQPEJFJTPLFGC-JTQLQIEISA-N 250.298 0.800 0 50 CCAA COC(=O)[C@@]1(NC(=O)[C@H](N)CC(C)C)CCCSC1 1875383326 OYBRARRGRXRIPT-ZWNOBZJWSA-N 288.413 0.915 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N=c2cc[nH]cc2)C1=O 888076446 LBEWCUVJAPKQNJ-GFCCVEGCSA-N 277.324 0.470 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)NCc2ccnn2C)C1=O 888076104 ZIYWWXZZJKKYMY-GFCCVEGCSA-N 294.355 0.064 0 50 CCAA O=C(NCCN1CCNC1=O)[C@H]1CCCCS1 894575595 HJOSPQUPOFTNMR-SECBINFHSA-N 257.359 0.414 0 50 CCAA Cc1cnc(N2CCN(CC(F)(F)CO)CC2)nc1 895094505 ARDSHULWOMMXFX-UHFFFAOYSA-N 272.299 0.535 0 50 CCAA C[C@@H]1C(=O)N(NC(=O)c2cnc(C3CC3)nc2)C(=O)N1C 899039441 XAVVGUKBLRHNKF-SSDOTTSWSA-N 289.295 0.281 0 50 CCAA O=c1c2c([nH]c3nc(-c4cccnc4)nn13)CCC2 18219949 WRDCDFALHIJSGW-UHFFFAOYSA-N 253.265 0.968 0 50 CCAA O=C(O)[C@H]1CC=CC[C@H]1NC(=O)[C@H](O)C1CCOCC1 2325778353 VHHGEXPAADOQCN-QJPTWQEYSA-N 283.324 0.310 0 50 CCAA CC(C)C1=NO[C@H](C(=O)N2[C@@H](CO)C[C@H]3OCC[C@H]32)C1 2325785383 VDQDSONJTBDYTE-JHEVNIALSA-N 282.340 0.538 0 50 CCAA NC1(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)CC=CC1 2325801506 LMWFRGXXWUZSBZ-JHJVBQTASA-N 290.367 0.186 0 50 CCAA COc1ccc(-n2nnnc2SCC(=O)O)cc1 172710 AAHPTQHEDWKLNV-UHFFFAOYSA-N 266.282 0.848 0 50 CCAA CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1 616504 RJXVBVVVRIXAEV-UHFFFAOYSA-N 286.328 0.725 0 50 CCAA O=C(c1c[nH]nn1)N1CCC(CN2CCCC2)CC1 108631321 UIKFQJOYPCINLL-UHFFFAOYSA-N 263.345 0.753 0 50 CCAA Cc1nn2c(=O)cc(CSCC(=O)O)nc2s1 8728790 JFTURNDBLBNHTE-UHFFFAOYSA-N 271.323 0.777 0 50 CCAA COc1ccc(CC(=O)N2CCC3(C2)OCCO3)nc1 225720856 JNTANKSXOWBXCA-UHFFFAOYSA-N 278.308 0.608 0 50 CCAA CC[C@H](NC(=O)OC)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100879893 GYFZSFVIPDAGCG-QUARPLMYSA-N 278.308 0.886 0 50 CCAA C[C@@H]1CN([C@H](C)CNC(=O)[C@@H](C)n2cncn2)C[C@@H](C)O1 252463396 IUPVXRIKMOYUJE-FDYHWXHSSA-N 295.387 0.453 0 50 CCAA CCc1cccnc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 372457436 KAHMEDBZUBECKR-JTQLQIEISA-N 288.311 0.371 0 50 CCAA CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3cccnc3)C2)C1 373763512 QRLILUVVZNXYJE-CYBMUJFWSA-N 288.351 0.255 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)c1cccc(-n2ccnn2)c1 263086589 HMCYJPXUGYGPIS-LBPRGKRZSA-N 286.291 0.957 0 50 CCAA O=C1CC[C@H](C(=O)N2C[C@H](F)C[C@@H]2CO)n2cccc21 333276139 IPSFCYJUIUNNJN-CKYFFXLPSA-N 280.299 0.937 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2ccn(C)n2)C1 284452205 BRMZYRRTEQNLAM-KBPBESRZSA-N 292.383 0.632 0 50 CCAA Cc1nc(O)cc(CCNC(=O)c2ccc3[nH]nnc3c2)n1 220741301 YDBHQUFUWVULMN-UHFFFAOYSA-N 298.306 0.734 0 50 CCAA CC(C)c1occc1C(=O)N1CCC[C@](O)(C(N)=O)C1 285448323 JHMJZRUFUUYFFF-CQSZACIVSA-N 280.324 0.855 0 50 CCAA CC[C@H](C)[C@H](NC(=O)CCc1ccnn1C)C(=O)O 190723655 NCNUXUMSDNXTEF-CABZTGNLSA-N 267.329 0.968 0 50 CCAA Cc1nc(C(C)C)oc1CNC(=O)[C@H]1CN(C)C(=O)N1 615155563 HULKQPHQAADAEH-SECBINFHSA-N 280.328 0.746 0 50 CCAA CN1CC[C@]2(CCC1=O)CN(Cc1ncc[nH]1)CCN2C 91738348 WKGUTGXTRZZGEH-OAHLLOKOSA-N 291.399 0.538 0 50 CCAA O=C(NCCc1nnc[nH]1)Nc1ccc2c(c1)OCCO2 266802205 ZGAANDYQPRXAHX-UHFFFAOYSA-N 289.295 0.940 0 50 CCAA CN[C@@H]1CCCN(S(=O)(=O)[C@H](C)CCOC)C1 252523111 BXAGTIKAQLZNEZ-GHMZBOCLSA-N 264.391 0.425 0 50 CCAA CS(=O)(=O)N1CCCN(Cc2nccn2C2CC2)CC1 252505762 VTNGSXLXQKLDMJ-UHFFFAOYSA-N 298.412 0.685 0 50 CCAA CCOC(=O)N1CCC(NCc2nc(N)n[nH]2)CC1 534645337 DCXDLWYPWPJBMN-UHFFFAOYSA-N 268.321 0.097 0 50 CCAA O=C([C@@H]1C[C@@H](F)CN1Cc1cncnc1)N1CCOCC1 299744566 PEAKXUZRTZNNOR-OLZOCXBDSA-N 294.330 0.248 0 50 CCAA N[C@@H]1CCN(C(=O)COCC(F)(F)C(F)F)C1 534593096 AFHIHQDDMQZJKC-ZCFIWIBFSA-N 258.215 0.463 0 50 CCAA CN(C[C@@H]1COCCO1)C(=O)NCc1cscn1 534658845 WJUUKTHFKQLNDE-SNVBAGLBSA-N 271.342 0.700 0 50 CCAA CCCn1nc(CC(N)=O)nc1CCCc1cn[nH]c1 823033104 NIDLCQKYHZDZRI-UHFFFAOYSA-N 276.344 0.614 0 50 CCAA Nc1nc(NCC2(CN3CCCC3)CC2)cc2nncn12 827587241 LUAGFSQLMADQPX-UHFFFAOYSA-N 287.371 0.994 0 50 CCAA COc1cccc(CN(C)C(=O)CCn2cnnn2)c1 584889243 DWHURDWPLJWZKQ-UHFFFAOYSA-N 275.312 0.730 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCN(CC(F)(F)F)CC1 584887120 UYRLKGGLOCMBQF-UHFFFAOYSA-N 277.250 0.433 0 50 CCAA Cc1cc(C(=O)NCC2CCN([C@@H](C)C(N)=O)CC2)no1 1001179947 KZYISOJNICGINU-JTQLQIEISA-N 294.355 0.299 0 50 CCAA Cc1ncc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)O)C2)n1C 629295077 HRISUJBBQLZHNF-BDAKNGLRSA-N 285.325 0.036 0 50 CCAA O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1)N1CCOC2(CCCC2)C1 1553407228 GJYSCMKSSKIQTO-AVGNSLFASA-N 280.368 0.677 0 50 CCAA COCCCN1CCC[C@H]1C(=O)N=S(C)(C)=O 408523201 HVJFGBCCBIFMKI-JTQLQIEISA-N 262.375 0.742 0 50 CCAA C[C@@H]1CCCN[C@H]1CNC(=O)CCCn1cncn1 408525446 CRWMDZRAVICYSB-NEPJUHHUSA-N 265.361 0.563 0 50 CCAA CCOC(=O)CC1(N)CN(C(=O)OC(C)(C)C)C1 95627020 XPXLMLCRLYNVBC-UHFFFAOYSA-N 258.318 0.888 0 50 CCAA in-vitro COCc1cc(CNC(=O)[C@H]2CNCCO2)ccc1F 187705587 CFRJGOVYNHGOGV-CYBMUJFWSA-N 282.315 0.577 0 50 CCAA CNC(=O)Cn1cnc(NC(=O)C[C@H]2C=CCCC2)n1 188278352 LALUTVWWBREGQE-JTQLQIEISA-N 277.328 0.709 0 50 CCAA CCc1nsc(N2CCN(c3n[nH]c(C)n3)CC2)n1 585092572 FOPOTVLMXGMCEO-UHFFFAOYSA-N 279.373 0.854 0 50 CCAA COCc1nc(OC)cc(N2CCC(C(=O)O)CC2)n1 649381994 FZAJIVDDVWWXIG-UHFFFAOYSA-N 281.312 0.933 0 50 CCAA Cc1nccc(N2CC[C@@H](n3cc(C(=O)O)nn3)C2)n1 573476406 FQLGPZXHSYPNPZ-SECBINFHSA-N 274.284 0.526 0 50 CCAA C[C@@H](CNS(=O)(=O)c1nc[nH]n1)c1ccccc1 1875290424 DTZCLSZZONSAIU-VIFPVBQESA-N 266.326 0.887 0 50 CCAA CN1CCN(c2ccc(-c3nccn3C)nn2)CC1=O 1506428765 SRAKKMWORXYNDR-UHFFFAOYSA-N 272.312 0.156 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)N[C@@H](CN)C1CCCC1 420430500 CWHZLJQEYHJZNZ-NSHDSACASA-N 286.401 0.524 0 50 CCAA Cc1cnc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)[nH]1 1704339792 OELSCLXMOCHGSM-UKRRQHHQSA-N 278.400 0.997 0 50 CCAA O=C1C[C@H]2NCC[C@H]2N1CCc1noc(C(F)(F)F)n1 1800412011 UIMNOVJORPSLEQ-RNFRBKRXSA-N 290.245 0.594 0 50 CCAA O=C(O)CNS(=O)(=O)Cc1c(F)cccc1F 362004495 YXQNDNXQDOBMKM-UHFFFAOYSA-N 265.237 0.469 0 50 CCAA Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N1CCOCC1 11635350 GGVPJKGTRIHNRW-UHFFFAOYSA-N 297.336 0.186 0 50 CCAA CN1CC[C@@H](NC(=O)[C@@H]2CC(=O)c3ccccc32)C1=O 19792761 JRAJJIJRZXERAJ-VXGBXAGGSA-N 272.304 0.704 0 50 CCAA CNS(=O)(=O)Nc1ccc(NC(=O)C2CC(=O)C2)cc1 408521995 BKQBXGNMUGGUIQ-UHFFFAOYSA-N 297.336 0.480 0 50 CCAA O=C(CN1CCCNC1=O)NCc1ccc(CO)c(F)c1 535997364 HWZXDOJLSVNUIM-UHFFFAOYSA-N 295.314 0.350 0 50 CCAA C[C@@H]1Nc2ncnn2[C@H](c2cccc(O)c2)[C@H]1C(N)=O 247938089 FKTLQDPDLJDNRA-BKDNQFJXSA-N 273.296 0.489 0 50 CCAA O=C(O)[C@H]1CCCCN1S(=O)(=O)Cc1ccon1 262681367 SUBAKLVDQUQLAX-SECBINFHSA-N 274.298 0.444 0 50 CCAA CN(C)c1nccnc1N1C[C@H]2COC[C@@H](C1)CN2C 1704330968 MNNJHHXQLJGUFG-NEPJUHHUSA-N 277.372 0.309 0 50 CCAA COc1ncccc1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1704307041 RHPXACZTCUJQHP-RYUDHWBXSA-N 291.351 0.493 0 50 CCAA CC[C@](O)(Cn1cnc2c(nnn2C)c1=O)C(F)(F)F 905958810 UKWBSNRGQHMVFR-VIFPVBQESA-N 291.233 0.228 0 50 CCAA c1nnn2c1CN(CCO[C@H]1CCOC1)CCC2 931745144 YBTNHCJSJNQIMY-LBPRGKRZSA-N 252.318 0.289 0 50 CCAA O=C1CC(C(=O)Nc2cnn(Cc3cccnc3)c2)=NN1 1875257629 CYVHVLHJOKBROG-UHFFFAOYSA-N 284.279 0.141 0 50 CCAA Cn1cnc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)c1 236102928 MITAYJLRKJZVSJ-LLVKDONJSA-N 273.292 0.846 0 50 CCAA CC(C)OC[C@@H](O)CN1C(=O)CN(C2CCCC2)C1=O 157636719 GWHQCNHYTMUKFF-LBPRGKRZSA-N 284.356 0.979 0 50 CCAA O=C(N[C@H]1COc2ccccc2C1)[C@H]1C[C@H]1C(=O)O 268912552 OHOMHTGTMZDSTI-OUAUKWLOSA-N 261.277 0.827 0 50 CCAA COCc1nc(CNc2nc(N)ncc2C)no1 91620412 IWRIWLMADBHIIU-UHFFFAOYSA-N 250.262 0.509 0 50 CCAA COC(=O)CC[C@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@@H]1O 15262974 RUDVTXZKYPJLFH-ZZVYKPCYSA-N 266.293 0.802 0 50 CCAA in-vitro Cc1cc(C)n(C[C@@H](C)NC[C@H](O)Cn2cccn2)n1 2325754284 JVGWJZDMECMUTF-OCCSQVGLSA-N 277.372 0.736 0 50 CCAA Cn1cc(N2CC[C@@H](NC(=O)/C=C/c3cn[nH]c3)C2)cn1 2325762900 XIMCJJSVEHZASY-QAVQXKDTSA-N 286.339 0.552 0 50 CCAA C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N[C@@H](CCO)C(=O)O)C1 2325829348 HJMMLZSIOAJYNX-HGNGGELXSA-N 281.312 0.027 0 50 CCAA COc1ccc(S(=O)(=O)NCCCC(=O)O)cc1 1902848 LEAPXZPMNOGTPI-UHFFFAOYSA-N 273.310 0.838 0 50 CCAA Cc1ccc(C(=O)NCCNC(=O)CN2CCCC2)cc1 2984775 GEIYHOVOUNFCBA-UHFFFAOYSA-N 289.379 0.937 0 50 CCAA COc1ccc(C(=O)O)cc1S(=O)(=O)NC1CC1 4206219 GOSJCWHCEGBHOT-UHFFFAOYSA-N 271.294 0.834 0 50 CCAA CCOCC[C@H](O)CN1CCN(C[C@@H](O)CC)CC1 225530087 QGYFNUCDPODDMJ-KBPBESRZSA-N 274.405 0.162 0 50 CCAA COC(=O)CN1CCN(Cc2ccccc2)[C@@H](C)C1=O 65370178 CDNXSDKUMBDNKZ-LBPRGKRZSA-N 276.336 0.892 0 50 CCAA CCn1c(=O)[nH]c(=O)c2cc(C(=O)OC(C)C)c(C)nc21 67630750 PSYMCVJOYGLWSW-UHFFFAOYSA-N 291.307 0.978 0 50 CCAA COC(=O)[C@](C)(NC(=O)[C@@H]1OCC[C@H]1C)C1CC1 252584522 AUTFSJMJCLOMLF-ZDSQKVDBSA-N 255.314 0.869 0 50 CCAA Cn1ncnc1SCC1CCS(=O)(=O)CC1 329789120 SGYKPKZFNUNHCJ-UHFFFAOYSA-N 261.372 0.732 0 50 CCAA C[C@@H]1C[C@@H](NS(=O)(=O)c2cccnc2)CN1C1CC1 126202767 NAMRRCDMOSLVKT-GHMZBOCLSA-N 281.381 0.985 0 50 CCAA O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1COCCO1 216240052 PTQQFZODNFIJEZ-LLVKDONJSA-N 279.292 0.489 0 50 CCAA CCO[C@@H]1C[C@](O)(CNC(=O)/C=C/CN(C)C)C1(C)C 492052639 ZJZZZOUZQWYZGZ-UJOIQMEZSA-N 284.400 0.787 0 50 CCAA C[C@H]1CN[C@H](C)CN1C(=O)CCc1ccnn1C 214960879 KHVRZFPYLWQXMU-MNOVXSKESA-N 250.346 0.562 0 50 CCAA CC(=O)N[C@H](COC(C)=O)[C@H](O)c1ccccc1 71771050 DPVWBNJZHVDKKE-CHWSQXEVSA-N 251.282 0.788 0 50 CCAA CNCC(=O)N1CCCC[C@H]1CCN1CCCC1=O 71730327 ZGDWRIDTNSZAJP-LBPRGKRZSA-N 267.373 0.599 0 50 CCAA CN(CC(=O)NC1(C(=O)O)CC1)Cc1ccc(F)cc1 426677825 UVCIBFBQOKCQEH-UHFFFAOYSA-N 280.299 0.991 0 50 CCAA COc1cc(C(=O)O)cc(C(=O)N[C@@H]2CCOC2)c1 426711531 YMVPPTDSOVIVNP-SNVBAGLBSA-N 265.265 0.912 0 50 CCAA Nc1nc(CNC(=O)CCCOc2ccccc2)n[nH]1 223376193 COOBIJSUCCPGGX-UHFFFAOYSA-N 275.312 0.862 0 50 CCAA NC1CC(c2cc(NCCCN3CCOCC3)ncn2)C1 223679384 BSKOAHXTMWWTHJ-UHFFFAOYSA-N 291.399 0.816 0 50 CCAA CN1CCN(CC(=O)N2CCC[C@@H](c3ncon3)C2)C1=O 426582852 QRHJINNSBQTGJZ-SNVBAGLBSA-N 293.327 0.143 0 50 CCAA C[C@H]1Cc2cc(C(=O)NCc3n[nH]c(=O)[nH]3)ccc2O1 220105541 IBUAEJUBXLBPRT-ZETCQYMHSA-N 274.280 0.351 0 50 CCAA CN1CCN(Cc2nnc(-c3cccnc3)o2)C1=O 95511381 IWLAAKCATHJAMU-UHFFFAOYSA-N 259.269 0.999 0 50 CCAA CCc1c(C)nc(N)nc1N1C[C@H](O)[C@@H](N(C)C)C1 95378702 QJAZVTBOINKCGO-QWRGUYRKSA-N 265.361 0.041 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3[C@@H]4[C@H]5[C@@H]([C@@H]51)[C@@H]2[C@H]43 247848324 FOVABRXCXSLHGN-OKGBFWCWSA-N 279.299 0.648 0 50 CCAA CCCc1nc(CN2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)no1 621320615 TZNRPDKHVLGNQX-GXSJLCMTSA-N 292.343 0.755 0 50 CCAA NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)NC(=O)C2 182252778 NIDBFNCQVZWJHO-LBPRGKRZSA-N 287.319 0.200 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)CCN1CCCC1 824506877 YENPUDACNZNDLY-RYUDHWBXSA-N 256.346 0.392 0 50 CCAA Cc1nc(C)n(CCCn2cnc3c(cnn3C)c2=O)n1 584903404 HCSQUTWKHFDJDZ-UHFFFAOYSA-N 287.327 0.429 0 50 CCAA COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(N)c1 15108673 RXFDXIFPRTXTRS-NSHDSACASA-N 284.337 0.595 0 50 CCAA O=C(CCCOc1ccccc1)NC[C@@]1(O)CCNC1 244882512 XTGWNTRIXHVWBI-OAHLLOKOSA-N 278.352 0.686 0 50 CCAA O=C(NS(=O)(=O)C[C@H]1CCCOC1)C1CCC1 408241523 JTQDQPIQJPELHS-VIFPVBQESA-N 261.343 0.659 0 50 CCAA C[C@@H](O)CN1CCN(S(=O)(=O)C2(C)CC2)C[C@H]1C 408461115 TYXREEKHHHIFJZ-GHMZBOCLSA-N 276.402 0.256 0 50 CCAA O=C1CCCC[C@@H](C(=O)NCCOC(=O)C2CC2)N1 408521259 NULHKRINQCKVBD-JTQLQIEISA-N 268.313 0.115 0 50 CCAA COC[C@@H](NS(=O)(=O)c1ccccc1OC)C(=O)O 167431029 UGWFPLICDVDVCS-MRVPVSSYSA-N 289.309 0.073 0 50 CCAA O=C(NC[C@@H](O)[C@@H]1CCCO1)c1cc(C(F)F)[nH]n1 640725946 MBJMBIJZQCRLCT-BDAKNGLRSA-N 275.255 0.617 0 50 CCAA COC[C@]1(C(=O)NCc2ccncc2C)CCCN1 643778571 MUBATJTXUBPLLP-AWEZNQCLSA-N 263.341 0.775 0 50 CCAA O=C([C@@H]1CCCN1C(=O)C1CC1)N1CC(OC(F)F)C1 648871578 UHMXZVVYVBFVJH-JTQLQIEISA-N 288.294 0.837 0 50 CCAA Cc1nnc(N2CCN(CCn3ccccc3=O)CC2)o1 672208608 JJAJXKGFKPDBFT-UHFFFAOYSA-N 289.339 0.362 0 50 CCAA Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)N[C@@H]1CCCOC1 1615613995 CWUYBROHJQMQQN-NEPJUHHUSA-N 296.371 0.549 0 50 CCAA N[C@@H](CC(=O)N(CC1CCOCC1)C1CCC1)C(=O)O 1875290158 BDHAMJUEONGMAL-LBPRGKRZSA-N 284.356 0.596 0 50 CCAA O=C(O)[C@H]1COCCN(Cc2ccn3nccc3c2)C1 1772811884 ACPQZWJXPYUKAO-GFCCVEGCSA-N 275.308 0.867 0 50 CCAA C[C@H]1CO[C@H](C)CN1S(=O)(=O)N[C@@H]1CCC[C@@H]1CN 237524790 UHAIKCPORAGJJW-IRCOFANPSA-N 291.417 0.057 0 50 CCAA Cc1n[nH]c(C)c1CN1C[C@H]2[C@@H](C1)C2(CO)CO 1772700448 AYJYJAZIJRSPPY-TXEJJXNPSA-N 251.330 0.059 0 50 CCAA CN1C[C@@H](CN2CCN(C3CCCC3)C(=O)C2)CCC1=O 1775982239 MWKIJUZHHDOMQS-ZDUSSCGKSA-N 293.411 0.942 0 50 CCAA CC(C)(CO)[C@H](O)C(=O)N[C@@H]1CCC[C@@H](C(=O)O)C1 13477087 YWSFEKQJLZGRIO-OPRDCNLKSA-N 273.329 0.125 0 50 CCAA COc1ccccc1CCC(=O)N1C[C@@H]2CC(=O)N[C@@H]2C1 1857681225 CZXLPXSTUQINBU-QWHCGFSZSA-N 288.347 0.975 0 50 CCAA Cc1cncc(N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)n1 1857688305 BZAQBRJQGLJSCD-SMDDNHRTSA-N 276.340 0.252 0 50 CCAA CCOC(C)(C)C(=O)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1857691610 SFAWDZGCUFCZMC-IWDIQUIJSA-N 271.357 0.392 0 50 CCAA CS(=O)(=O)N1CCN(c2ccccc2F)CC1 355744 BHARQVCTAPCBLI-UHFFFAOYSA-N 258.318 0.907 0 50 CCAA C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1nccc(N)n1 246024435 WGDQIFLXZBBUOY-GMTAPVOTSA-N 277.372 0.936 0 50 CCAA Cc1c([C@@H]2CCCN2c2ccc(C(N)=O)nn2)cnn1C 301884460 LNCABPFMQMBDQP-LBPRGKRZSA-N 286.339 0.959 0 50 CCAA C[C@@H]1CCN(C(=O)N2CC[C@@H](n3cc(C(N)=O)nn3)C2)C1 643734094 VQDATWVEVKSUFJ-NXEZZACHSA-N 292.343 0.086 0 50 CCAA O=C(Cn1cccn1)N1CCC[C@@H](N2CCCC2)C1 334185450 GJUQBFYKMMILNX-CYBMUJFWSA-N 262.357 0.970 0 50 CCAA Cc1ccc(F)c(OCC(=O)N2CCOC[C@@H]2C(=O)O)c1 262193956 RLCQJUVQPDXKLW-LLVKDONJSA-N 297.282 0.825 0 50 CCAA CN1C(=O)COc2ccc(NC(=O)[C@H]3C[C@H]3C(=O)O)cc21 262354270 BZNKDQSRTMILMI-DTWKUNHWSA-N 290.275 0.701 0 50 CCAA C[C@H]1C[C@@H](C(=O)O)CN(C(=O)NCCCC(=O)N(C)C)C1 263386714 YDWBQSRHGPZJFM-WDEREUQCSA-N 299.371 0.607 0 50 CCAA COc1ccc(CN2CC[C@H](CO)[C@@H](O)C2)cc1OC 1203837400 ZUNMVRXDOFVYMI-OLZOCXBDSA-N 281.352 0.879 0 50 CCAA C=CC(=O)N(C)CC(=O)NCC1(O)CCC(F)(F)CC1 862223192 GJZBWXZHSZCCTI-UHFFFAOYSA-N 290.310 0.687 0 50 CCAA C=CC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 863971547 YENTXMRLKJTXHC-UHFFFAOYSA-N 292.360 0.776 0 50 CCAA CC(C)(C)NS(=O)(=O)NC(=O)c1cccnc1 1875285053 BILSDNCBRVAWHP-UHFFFAOYSA-N 257.315 0.444 0 50 CCAA Cc1cccc(O)c1C(=O)N1CC[C@@H](Cc2nn[nH]n2)C1 1875285845 CLQJOBHOOGLXLN-JTQLQIEISA-N 287.323 0.919 0 50 CCAA CN(C)C/C=C/C(=O)NCCC(C)(C)N1CCOCC1 1875379864 YMHBUISQAZGEBK-AATRIKPKSA-N 283.416 0.721 0 50 CCAA COc1nccc(CNC[C@]2(O)CCN(C)C2)c1F 893607572 YATMEGBSFVLFLA-CYBMUJFWSA-N 269.320 0.386 0 50 CCAA C[C@@H](NC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21)c1nnnn1C 1775997560 HSMLNCYIZOOGBD-BBBLOLIVSA-N 294.359 0.338 0 50 CCAA O=C1CC[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C(=O)N1 282421660 IQSYCGKTOMYJEV-HTQZYQBOSA-N 274.267 0.733 0 50 CCAA CNS(=O)(=O)CCNc1nc(C)nc2sccc12 63871637 KXXCGUZNALNYSL-UHFFFAOYSA-N 286.382 0.961 0 50 CCAA O=C(NC[C@@]1(C(=O)O)CCCOC1)[C@H]1CCOC1 630338637 ZMGZGDRTNXMPLV-CABZTGNLSA-N 257.286 0.021 0 50 CCAA Cc1cc(NC(=O)[C@@H](CN)C2CCOCC2)nn1C 864750499 JOKNMYYIFKQTAG-NSHDSACASA-N 266.345 0.669 0 50 CCAA C[C@@H]1C(=O)NCCN1C(=O)c1cc2c([nH]c1=O)CCCC2 109270524 DNILNEIPHFGZOT-SECBINFHSA-N 289.335 0.214 0 50 CCAA C[C@@H]1OCC[C@@]1(O)CN[C@H]1[C@@H]2CCO[C@@H]2C1(C)C 330336172 SFFZCLWLFYRIRZ-CUOUOBHDSA-N 255.358 0.929 0 50 CCAA COc1coc(C(=O)N2CCO[C@@H](C)C2)cc1=O 357848847 AVETVYGJKWHDHK-QMMMGPOBSA-N 253.254 0.509 0 50 CCAA NC(=O)c1cccnc1N1CCN(C[C@@H]2CCOC2)CC1 215911474 JVEJQWAJIBHIMR-LBPRGKRZSA-N 290.367 0.339 0 50 CCAA CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N)cc2)C1 71772318 RNPUWTUMEVDGPM-STQMWFEESA-N 263.341 0.406 0 50 CCAA COC(=O)c1ccccc1S(=O)(=O)[C@@H](C)C(=O)OC 71772544 QQZHEYZBDQBGHS-QMMMGPOBSA-N 286.305 0.808 0 50 CCAA O=C(N[C@@H]1CCNC1)c1cc(-c2ccncc2)on1 127776670 MIASKYYUJOUEIG-SNVBAGLBSA-N 258.281 0.828 0 50 CCAA CN1C(=O)c2ccc(C(=O)NCCCC(=O)O)cc2C1=O 262084473 CQCGPYZYVNUNAC-UHFFFAOYSA-N 290.275 0.507 0 50 CCAA CC1CCN(C[C@@H](O)CN2CCC[C@H]2C(=O)O)CC1 242273452 YCVNSXLVDVZROU-OLZOCXBDSA-N 270.373 0.628 0 50 CCAA Cc1cc(N)n(CC(=O)NCCn2cc(Cl)cn2)n1 223326780 UEMPOBBWNDZJQN-UHFFFAOYSA-N 282.735 0.440 0 50 CCAA O=C(NCc1nc(-c2ccncc2)n[nH]1)[C@@H]1CCCO1 222987408 BTWZVAGVUAZFHD-JTQLQIEISA-N 273.296 0.662 0 50 CCAA NC1CC(c2cc(NCCc3noc(CO)n3)ncn2)C1 220238890 NRMJFMPQTQWZNA-UHFFFAOYSA-N 290.327 0.211 0 50 CCAA COCCN1CC[C@@H](C(=O)NCc2cc(C)nn2C)C1 97259338 XTTGSJFIXNDJEA-GFCCVEGCSA-N 280.372 0.313 0 50 CCAA Cc1nonc1OCCn1cc(-c2ncc[nH]2)nn1 91645831 BACAWHUYGDSXMK-UHFFFAOYSA-N 261.245 0.439 0 50 CCAA C[C@@H]1[C@H](N(C)CCO)CCN1CC(=O)Nc1nccs1 292126430 AXVRVMIGQVXRDT-GHMZBOCLSA-N 298.412 0.469 0 50 CCAA COC(=O)c1cc(=O)n2c3ccccc3n(N)c2n1 253495441 DWUMCJJXHWVDMK-UHFFFAOYSA-N 258.237 0.150 0 50 CCAA CN(CC(=O)N1CCOCC1)Cc1n[nH]c2c1CCC2 252495648 OUYUQGDDMFPLSP-UHFFFAOYSA-N 278.356 0.189 0 50 CCAA Nc1n[nH]c(CNC(=O)C2Cc3ccccc3C2)n1 534671746 KQCFEBCMZMZWTI-UHFFFAOYSA-N 257.297 0.418 0 50 CCAA Cc1cn(CCNC(=O)CN2CCCCCC2=O)nn1 299777487 JZMQWEPICPWLDG-UHFFFAOYSA-N 279.344 0.105 0 50 CCAA Cc1cc(CC(=O)NCCN2CCC[C@@H](CO)C2)on1 299777588 NFHQSFUKXHHWBE-GFCCVEGCSA-N 281.356 0.346 0 50 CCAA O=C(NCc1noc([C@H]2CCCO2)n1)c1cnc[nH]1 299799037 UMJUMZCQWQOMRB-MRVPVSSYSA-N 263.257 0.574 0 50 CCAA CCC(=O)N1CCC(NC(=O)c2cnc[nH]2)CC1 299801723 YMMNHNXVGZVGQH-UHFFFAOYSA-N 250.302 0.541 0 50 CCAA O=C1CCCCCN1CCc1ncnn1CCO 828778302 FHLSEIMYVVYGKS-UHFFFAOYSA-N 252.318 0.216 0 50 CCAA Cc1nc2c([nH]1)CN(C(=O)N[C@H](C)C(=O)O)CC2 828545737 HJUPCMDWIXIRDA-ZCFIWIBFSA-N 252.274 0.259 0 50 CCAA CC(C)CS(=O)(=O)CCn1cnc2cccnc2c1=O 584895043 LAINXXYDUHRVFR-UHFFFAOYSA-N 295.364 0.862 0 50 CCAA CC[C@@H](OC)C(=O)N1Cc2nc(C)nc(O)c2C1 584895063 MIQCVBXCBSALKI-SNVBAGLBSA-N 251.286 0.758 0 50 CCAA CN(C)C[C@H](O)CNc1cncc(C(=O)N2CCCC2)n1 584887914 GLHIJSPYHCGWIP-LLVKDONJSA-N 293.371 0.047 0 50 CCAA CCn1ccc(C(=O)N(C)CCN2CCOCC2)cc1=O 584898637 YJWCESCXEGQMIQ-UHFFFAOYSA-N 293.367 0.272 0 50 CCAA CN1CC[C@H](NC(=O)c2ccc(CN3CCCC3)o2)C1=O 670465584 KIQOVIHJLLXNPV-LBPRGKRZSA-N 291.351 0.836 0 50 CCAA CC(=O)N(C)CC(=O)N1C[C@@H](C(=O)O)c2ccccc21 131952450 NZZCPZPCXPYTKS-LLVKDONJSA-N 276.292 0.680 0 50 CCAA OC[C@H]1CCN(CCc2ccc(O)cc2)C[C@H]1O 1529098582 IPUYZDAOEHHHIM-TZMCWYRMSA-N 251.326 0.610 0 50 CCAA CC(C)n1cnnc1CN(C)CCC(=O)N(C)C 243901271 BARRUKLMLVLIRO-UHFFFAOYSA-N 253.350 0.769 0 50 CCAA Cc1nc(CN(C)CC2(CO)CCOCC2)no1 244701320 KEDLIZATORRLOD-UHFFFAOYSA-N 255.318 0.599 0 50 CCAA N[C@H]1CN(C2CCN(C3CCCC3)CC2)C[C@@H]1O 1565506839 OIQPCJBONKCMGD-KBPBESRZSA-N 253.390 0.397 0 50 CCAA COc1ncc(C(=O)N2CCCC[C@H]2[C@@H](C)N)cn1 408525454 NJWDJHNTPHFQKB-KOLCDFICSA-N 264.329 0.827 0 50 CCAA Cc1cc(NC(=O)C2=NN3CCCN=C3N2)cs1 634423077 ADZRAOHAUVBIBB-UHFFFAOYSA-N 263.326 0.973 0 50 CCAA O=C(CCCc1nn[nH]n1)N1CCC[C@H]1CN1CCCC1 635452712 HURRTFDCUXVECE-LBPRGKRZSA-N 292.387 0.609 0 50 CCAA CCC[C@]1(C)C(=O)NCCN1C(=O)c1cnn(C)c1 189870580 JSKXYTDRGMXIBT-CYBMUJFWSA-N 264.329 0.551 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cccc(C)n1 643822064 KLDWJXHZYYRRRW-AWEZNQCLSA-N 263.341 0.856 0 50 CCAA Cc1n[nH]c(C)c1NC(=O)CN1CCCC[C@H](O)C1=O 644316668 UTJVSRDJLNQMJU-JTQLQIEISA-N 280.328 0.338 0 50 CCAA CN(C)C(=O)[C@H]1CCCN1C(=O)c1cn(C(C)(C)C)nn1 191477828 NBPVQPZFISBXLI-LLVKDONJSA-N 293.371 0.726 0 50 CCAA O=C(c1c[nH]nn1)N1CCN(c2ccc(Cl)cn2)CC1 194520353 BGTMSWKVWVTSQM-UHFFFAOYSA-N 292.730 0.816 0 50 CCAA O[C@@]1(Cn2ccnn2)CCN(c2ccnc3ccncc23)C1 671466679 LTNUGOCLLOAFFQ-HNNXBMFYSA-N 296.334 0.863 0 50 CCAA O=C(O)[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)CC1CC1 568246391 MSNDFORUVXWBAE-NXEZZACHSA-N 289.353 0.181 0 50 CCAA CCCn1nccc1C(=O)N[C@]1(CC(=O)O)CCOC1 570410125 DTBZFCJMTKOIDB-ZDUSSCGKSA-N 281.312 0.657 0 50 CCAA C=CC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)CC)C1 731881466 DGEXZXXLOSEFRW-NSHDSACASA-N 281.356 0.053 0 50 CCAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CC(O)(C2CC2)C1 1615589467 CMMPXZUGOCEZMM-ZIAGYGMSSA-N 287.363 0.777 0 50 CCAA CCOc1ccc(NC(=O)N(C)[C@H]2CNC[C@@H]2O)cn1 1615632481 YYKLZHSNECXFLT-QWRGUYRKSA-N 280.328 0.277 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)CCCN1CCCC1=O 1506409977 QCNMBBZJMXCEHY-JTQLQIEISA-N 268.313 0.465 0 50 CCAA COC[C@H](O)CN(C)c1cc(C(=O)N2CCCC2)ccn1 1704338781 ZNPKGPCZCFJGHV-CYBMUJFWSA-N 293.367 0.761 0 50 CCAA CN(C(=O)CN1C[C@H]2CNC[C@]2(CO)C1)C1CCCCC1 1772704034 HZQSQFGNZYVTJD-CZUORRHYSA-N 295.427 0.291 0 50 CCAA CC(C)(C)NS(=O)(=O)c1ccc(C(N)=O)cc1 12381505 PVLRMQGRPLJJMV-UHFFFAOYSA-N 256.327 0.862 0 50 CCAA Cc1nn(C)c2c1[C@@H](NC(=O)CN1CCCC1=O)CCC2 1857672715 KNQRNQVSJGZANY-NSHDSACASA-N 290.367 0.845 0 50 CCAA C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ncc[nH]1 632331231 IEAFEKIZDCVSAW-WDEREUQCSA-N 284.385 0.657 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)CCN1 237567724 PWAPPSXEGFXQSX-NSHDSACASA-N 271.324 0.701 0 50 CCAA CNc1nc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cs1 248115604 IOFGQJKZJLONAD-SCZZXKLOSA-N 266.370 0.961 0 50 CCAA CN(C)C(=O)Cn1cnc(NC(=O)C2(C)CCC2)n1 267351314 FTZBPZMRDRGFII-UHFFFAOYSA-N 265.317 0.495 0 50 CCAA O=C(c1cnn2ccccc12)N1CCC[C@@](O)(C(=O)O)C1 395299911 SYUVKPZAWMOKCR-AWEZNQCLSA-N 289.291 0.386 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC[C@H]1COC(C)(C)O1 901046700 ZTVXDKOAVZZIKY-JTQLQIEISA-N 270.329 0.289 0 50 CCAA CCN(CC(=O)N1CC(C)(c2nnc(C)o2)C1)C1CC1 952891242 CIHURGJASOAIJR-UHFFFAOYSA-N 278.356 0.962 0 50 CCAA COc1cc(C(=O)N2CCO[C@H](C(=O)O)C2)ccc1F 127527929 IECGROVWSPOMND-NSHDSACASA-N 283.255 0.760 0 50 CCAA Cc1ccc(CN(C)C(=O)CN2CCC(O)CC2)nc1 1875329433 VYSDVMQQVRMMKZ-UHFFFAOYSA-N 277.368 0.805 0 50 CCAA C[C@@H](C(=O)NC[C@@H]1CC[C@@H]2COCC[C@@H]2C1)n1cnnn1 1875307853 NEASICMMWRTMCK-UMSGYPCISA-N 293.371 0.803 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)c1n[nH]cc1C(F)(F)F)C2 1775960851 FFPROGPPYTTYAE-WKEGUHRASA-N 274.246 0.992 0 50 CCAA C[C@@H]1CCCCN1CCCNC(=O)[C@H]1C[C@H](O)CN1 252423432 WLIHDBWUBSTVDV-FRRDWIJNSA-N 269.389 0.090 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H](C)O[C@H](C)C2)CCO1 260129776 ZPHVIBPNAVPHGL-USZNOCQGSA-N 285.340 0.590 0 50 CCAA COC(=O)[C@H](C)N1CCC[C@@H](CN2CCOCC2)C1 246699155 YATUCQZUNIZKSB-STQMWFEESA-N 270.373 0.592 0 50 CCAA CCc1nn(C)cc1CN1CCO[C@H]2CNC[C@H]21 299742991 LIYYCSIQMWENFF-OLZOCXBDSA-N 250.346 0.155 0 50 CCAA O=C(Cc1ccncc1)N1CCOC[C@H](CO)C1 77355264 CGJHSMRBCLKSTE-LBPRGKRZSA-N 250.298 0.091 0 50 CCAA COCc1nc(CN2CCO[C@@H](C3CC3)C2)no1 363778480 YIZCEJRXJYWCMY-SNVBAGLBSA-N 253.302 0.827 0 50 CCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)C2CC=CC2)C1 1119995187 NJBOWMOCFWJVSD-SECBINFHSA-N 258.343 0.090 0 50 CCAA C[C@]1(O)CCN(C(=O)c2ccc(Cl)o2)C[C@H]1O 1565508151 YMMIRALRWPKDSM-KCJUWKMLSA-N 259.689 0.891 0 50 CCAA Cc1ccc([C@H](C)N=c2ncnc(N3CCNCC3)[nH]2)nc1 2325793487 WOZNWBGYFDBDFA-LBPRGKRZSA-N 299.382 0.580 0 50 CCAA COc1cccc(NC(=O)C[C@@H]2NCCNC2=O)c1 540122 BSISTFKYVAIKDK-NSHDSACASA-N 263.297 0.112 0 50 CCAA NC(=O)N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1 2528818 FTRXUHGDZLTZEC-UHFFFAOYSA-N 277.280 0.221 0 50 CCAA CN1CC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 2726025 FBLLBLXRRYTJLE-UHFFFAOYSA-N 287.319 0.860 0 50 CCAA C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C 4521768 HVVWZTWDBSEWIH-UHFFFAOYSA-N 298.291 0.153 0 50 CCAA O=S(=O)(c1cccnc1)N1CCN2CCC[C@H]2C1 247650708 WNRRPVVCAFOOAR-NSHDSACASA-N 267.354 0.550 0 50 CCAA CC(C)N1CC[C@H](N2C(=O)[C@H]3CCCN3C2=O)C1=O 252484464 FXFSXODRCGTIHK-ZJUUUORDSA-N 265.313 0.422 0 50 CCAA COCC[C@H]1CN(Cc2nccn2CCOC)CCO1 215942733 OWYDWDNYBFASTK-ZDUSSCGKSA-N 283.372 0.767 0 50 CCAA CCCc1occc1C(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1 253394720 AMOQOSRQKVXPGH-WCQYABFASA-N 292.335 0.962 0 50 CCAA Cc1cc(C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)[nH]n1 72167163 CFRHJKIVGTXEJM-UHFFFAOYSA-N 273.296 0.308 0 50 CCAA C[C@@]12CCCN1C(=O)N([C@@H]1CCN(C3CC3)C1=O)C2=O 253630309 ZOHGBCPODKYNCW-YGRLFVJLSA-N 277.324 0.566 0 50 CCAA Cc1cncc(=O)n1CCCS(=O)(=O)C(C)C 330577592 PROUFYUUPMMJFD-UHFFFAOYSA-N 258.343 0.765 0 50 CCAA CCC(CC)NC(=O)c1nnc2n1CC[C@@H](C(=O)OC)C2 601044127 HNSPKTMTDYLBIO-SECBINFHSA-N 294.355 0.932 0 50 CCAA O=C(O)[C@H]1C[C@@H]1C(=O)NCCCc1nnc2ccccn12 362492358 LIGLKWSKVNPUHZ-UWVGGRQHSA-N 288.307 0.499 0 50 CCAA Cc1ccc(CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 126714725 HATVPSPFXRXKKB-UHFFFAOYSA-N 298.346 0.985 0 50 CCAA CC[C@@]1(O)CCN(C(=O)CCc2cnn(C)c2)C[C@H]1O 72427928 HIBXCAUGOVWZMZ-TZMCWYRMSA-N 281.356 0.087 0 50 CCAA CC(C)=C(F)C(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1 370630212 GCOIDQAUIFRVQG-JTQLQIEISA-N 288.319 0.494 0 50 CCAA O=C(N=c1nc2n([nH]1)CCCC2)NCC1(O)CCCCC1 333057037 CQIBMMWIOHOKBM-UHFFFAOYSA-N 293.371 0.853 0 50 CCAA C[C@@H](Oc1ccccn1)C(=O)N1CC2(CN(C)C(=O)O2)C1 496220537 YNEHASPCZRWTOC-SNVBAGLBSA-N 291.307 0.512 0 50 CCAA CC[C@H]1CN(C(=O)c2cc(=O)[nH]c(O)n2)CCN1C(C)C 77298266 BLLCRAUTMRWAQN-JTQLQIEISA-N 294.355 0.420 0 50 CCAA O=C(Cc1ccsc1)NC[C@@H]1CCS(=O)(=O)C1 44717669 LNZFWJCPWHGFPN-JTQLQIEISA-N 273.379 0.842 0 50 CCAA O=C1CCCN1CCCNC(=O)N1CCc2nc[nH]c2C1 426504423 DXHWCZQJXSNMKZ-UHFFFAOYSA-N 291.355 0.490 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@H](CC(=O)O)C(C)C)cn1C 426518808 OYZFMYCBXUATJP-LLVKDONJSA-N 280.324 0.923 0 50 CCAA CCn1c(C)ccc(C(=O)NCCCc2nn[nH]n2)c1=O 426485964 BOBOYWKTIUTCFZ-UHFFFAOYSA-N 290.327 0.052 0 50 CCAA CC(C)n1cnnc1CN(C)c1nc(N)nc2[nH]cnc12 96166354 LDPPBGVMXGCUTQ-UHFFFAOYSA-N 287.331 0.744 0 50 CCAA Cc1csc([C@H](C)C(=O)NCc2nc(C(N)=O)co2)n1 617487321 WEZWGFFMNRUVCR-SSDOTTSWSA-N 294.336 0.958 0 50 CCAA O=C(O)Cn1nc(C2CCOCC2)nc1-c1cnccn1 97805595 YNKRKULNLIHURM-UHFFFAOYSA-N 289.295 0.714 0 50 CCAA CNC(=O)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O 180689707 BCTOKVDHHSLUDU-HNNXBMFYSA-N 272.304 0.376 0 50 CCAA COc1c[nH]c(C(=O)NCc2c(C)nn(C)c2C)cc1=O 604418689 JBVXKUAPWZIYDY-UHFFFAOYSA-N 290.323 0.664 0 50 CCAA CSC[C@@H](C)C(=O)N1CCO[C@H](CC(=O)O)C1 299738374 KTJNTKCFUSSUQR-RKDXNWHRSA-N 261.343 0.688 0 50 CCAA NC(=O)[C@H](O)C1CCN(C[C@H](O)c2ccc(F)cc2)CC1 299747967 FPGOSBNVPZTOMR-UONOGXRCSA-N 296.342 0.417 0 50 CCAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@H]1CCCNC1)C2 534583213 PQKZZXWNTAEIFK-WUHRBBMRSA-N 252.358 0.869 0 50 CCAA Cc1cccnc1[C@@H](C)NS(=O)(=O)N1CCN(C)CC1 534655153 VWJXWTFWRMMTRV-GFCCVEGCSA-N 298.412 0.533 0 50 CCAA O=C(CCc1nc2ccccc2[nH]1)N[C@H]1CNCC[C@H]1O 534631103 LCIYYZAPTMBBDM-QWHCGFSZSA-N 288.351 0.335 0 50 CCAA Cc1[nH]c(=N)sc1C(=O)NCc1n[nH]c(=N)s1 534648211 UOPWIFNOJZVRTF-UHFFFAOYSA-N 270.343 0.058 0 50 CCAA CSc1nc(N)cc(NCCN2CCC[C@@H](CO)C2)n1 828711085 CVYFDVKNUXECBI-SNVBAGLBSA-N 297.428 0.897 0 50 CCAA Cn1nnnc1SCCn1cnc2cnccc2c1=O 584892215 OFYUSLKDBLYYNQ-UHFFFAOYSA-N 289.324 0.107 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCN(c2ccccc2)C(=O)C1 584888673 HXAKHYZWVQWUNY-UHFFFAOYSA-N 285.307 0.602 0 50 CCAA O=C(C1CC=CC1)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076134993 SIUYTPRQYVARJW-OLZOCXBDSA-N 274.324 0.917 0 50 CCAA CN(C)C[C@]1(O)CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 1548748922 ZOKZLZLKQOXLFZ-XHDPSFHLSA-N 292.383 0.355 0 50 CCAA Cc1[nH]nc(C(=O)N2C[C@H]3COC[C@]3(C(=O)O)C2)c1C 1549223907 QEQUHJPUTDQJHX-TVQRCGJNSA-N 279.296 0.200 0 50 CCAA CC(C)C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C 888098741 MAOATWDNMIMDSE-VXGBXAGGSA-N 294.399 0.992 0 50 CCAA CN(C)c1nccc(CN2CCC(C)(O)CC2)n1 408179353 YJGZCZQZFGXSAG-UHFFFAOYSA-N 250.346 0.889 0 50 CCAA Cc1nn(C)c(NC(=O)[C@@H](C)N2CCN(C)CC2)c1C 408201898 GSYRTIYRHDAIKF-GFCCVEGCSA-N 279.388 0.611 0 50 CCAA OC[C@H](O)CSc1ncc(Br)cn1 86659955 SCDJDKRGRDBQDK-LURJTMIESA-N 265.132 0.684 0 50 CCAA C=CC(=O)NCCC(=O)NC1CCC(C(=O)OC)CC1 746166937 JBBFKPIFQWFKIL-UHFFFAOYSA-N 282.340 0.527 0 50 CCAA Cn1nccc1CC(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 640869325 NGXDCQWATLZMGU-MCIONIFRSA-N 292.383 0.067 0 50 CCAA CCn1c(-c2cc[nH]n2)nnc1N1CC[C@](C)(C(N)=O)C1 669137258 XRFPLRRTAZYHHW-ZDUSSCGKSA-N 289.343 0.390 0 50 CCAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1 584901533 HTDAUWQLELZOTC-MYJAWHEDSA-N 263.297 0.552 0 50 CCAA FC(F)(F)c1ccc(=NCCc2cnn[nH]2)[nH]n1 1875272770 ODZUXZYYFRSUHF-UHFFFAOYSA-N 258.207 0.690 0 50 CCAA CCOC(=O)c1nc[nH]c1C(=O)N1CCOCC1 448841 JUHVKYZLTNMBHI-UHFFFAOYSA-N 253.258 0.059 0 50 CCAA O=C1NCC(=O)N2C[C@H](N=c3cc[nH]c4ccccc34)C[C@@H]12 1506397787 HGGQWJJRPPEEGR-YGRLFVJLSA-N 296.330 0.168 0 50 CCAA Cc1c(NC(=O)C[C@H]2C(=O)NCCN2C(C)C)cnn1C 1529147352 WXTKBKOIJZQMPH-LBPRGKRZSA-N 293.371 0.266 0 50 CCAA O=C(C[C@H]1CCCOC1)N(CCO)Cc1ncc[nH]1 1704314190 RTYKFNDZBOHLGD-LLVKDONJSA-N 267.329 0.547 0 50 CCAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)C1CCOCC1 532599507 JXYLWRDTQLGBLN-LBPRGKRZSA-N 285.340 0.895 0 50 CCAA CC(C)(NC(=O)Cn1cnnn1)c1cccs1 330789059 AUTQKLOWHFORAV-UHFFFAOYSA-N 251.315 0.786 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(CCC2CCOCC2)C1 643808158 UGMDLRCMHJDYJI-AWEZNQCLSA-N 270.373 0.505 0 50 CCAA Cc1cc(S(C)(=O)=O)c(S(C)(=O)=O)cc1C(=O)O 140578100 OBYSQDHKQUWQEW-UHFFFAOYSA-N 292.334 0.500 0 50 CCAA NC(=O)c1cnc(C(=O)NCC2=CCCCC2)cn1 1772712536 UAJRDFAVHZNEQT-UHFFFAOYSA-N 260.297 0.806 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)c1n[nH]c2c1CCC2 1857529186 YIDOWKFPEBZOQL-QWRGUYRKSA-N 265.313 0.432 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)CCc2cn[nH]c2)CC[C@@H]1O 1857716236 CSSFMAHQGSEREB-ZFWWWQNUSA-N 295.383 0.714 0 50 CCAA COC[C@H](C)S(=O)(=O)NC[C@H]1CCn2ccnc2C1 328627115 MJUFTAWBVWALHL-QWRGUYRKSA-N 287.385 0.400 0 50 CCAA Cc1n[nH]cc1C(=O)N1CCC[C@H](n2ccnn2)C1 331781790 GHKZAGUJQLHNEC-JTQLQIEISA-N 260.301 0.787 0 50 CCAA O=C([C@@H](O)c1ccc(C(F)(F)F)cc1)N1CC(O)C1 820832479 WXBDZRSCRNUCNK-JTQLQIEISA-N 275.226 0.942 0 50 CCAA O=C(Cn1nnnc1-c1ccccc1)N(C1CC1)C1COC1 820895820 PQTKUXBQJURMGL-UHFFFAOYSA-N 299.334 0.730 0 50 CCAA C[C@@H]1N(C(=O)C(=O)N2CCC[C@@H](CN)C2)CCC1(C)C 1875286407 SQBKOHVACUNXRW-RYUDHWBXSA-N 281.400 0.831 0 50 CCAA CC1(C)NC(=O)O[C@]12CCN(C(=O)[C@@H]1CCO1)C2 1875302091 ZLFJVKNYRMBBFN-UFBFGSQYSA-N 254.286 0.265 0 50 CCAA O=C(O)C1(n2nc3c(n2)CCCC3)CCOCC1 1875305117 HOARCICAPDONMW-UHFFFAOYSA-N 251.286 0.747 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCC[C@@H](O)CC)CC1 1875369407 MJMZXVQDSPBBKW-LBPRGKRZSA-N 268.357 0.688 0 50 CCAA COCc1cc(-c2noc(Cn3cnnc3O)n2)no1 1875355685 FAQKJPOCEQYXIZ-UHFFFAOYSA-N 278.228 0.216 0 50 CCAA CN1CCC(NCc2cn(Cc3cscn3)nn2)CC1 899703930 HAKKEYZFIIGKBK-UHFFFAOYSA-N 292.412 0.967 0 50 CCAA C[C@@H]1C[C@H](C(=O)N2CCOC[C@@H]2C(=O)O)CCO1 257702878 PDABKWATEKEEDB-OPRDCNLKSA-N 257.286 0.114 0 50 CCAA CN1C[C@H](NC(=O)[C@@H](CN)c2ccccc2)CC1=O 261617795 UHDHNYVYMXCJOF-NEPJUHHUSA-N 261.325 0.076 0 50 CCAA CN1CC[C@H](NC(=O)[C@H]2CCCC[C@]2(C)N)C1=O 262960300 KSCGVXNOSRTDSF-NRUUGDAUSA-N 253.346 0.241 0 50 CCAA COc1ccc(CNC[C@H](O)c2nnn(C)n2)cc1OC 19691155 QRHPCOZHJFSQPE-JTQLQIEISA-N 293.327 0.051 0 50 CCAA CCc1cc(=NC(=O)NCc2ccc(O)nn2)cc[nH]1 2325824703 NEBSOSZCQLTVPU-UHFFFAOYSA-N 273.296 0.883 0 50 CCAA C[C@H](O)CN(C)C(=O)C[C@@H]1NC(=O)c2ccccc21 897308902 OHSGBMCBJACPFE-CABZTGNLSA-N 262.309 0.700 0 50 CCAA CNC(=O)CCN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 110693951 WBFWSECKUOYFCO-QJPTWQEYSA-N 256.346 0.391 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 115618 HIDZIIOWMRINBI-UHFFFAOYSA-N 286.328 0.543 0 50 CCAA NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 286893 FGKIRHLTSQAYPP-UHFFFAOYSA-N 290.366 0.119 0 50 CCAA COc1ccccc1NC(=O)[C@H]1CC(=O)N=C(N)S1 544047 IRYGEILIQOZTJM-SECBINFHSA-N 279.321 0.981 0 50 CCAA CN(CC(=O)NCCc1ccccc1)S(C)(=O)=O 22606424 XVDPAMGCNPPRFC-UHFFFAOYSA-N 270.354 0.237 0 50 CCAA CC[C@H](C)[C@@H](O)C(=O)N[C@H](C)C(=O)N1CCCC1 343778300 XVKQGWQPZSVVSM-HBNTYKKESA-N 256.346 0.521 0 50 CCAA COCCn1cc(CN2C[C@H](OC)C[C@H]2COC)cn1 343827339 MXHIMQDNQCBHBQ-UONOGXRCSA-N 283.372 0.765 0 50 CCAA CN1CCN(C[C@@H](O)COC2CCCCC2)CC1 23114595 KIGWICDVWDQCOL-CYBMUJFWSA-N 256.390 0.944 0 50 CCAA CCc1ncnc(N2CCN(C)C(=O)[C@H]2C)c1F 302376281 GAYJLBGBIWPMFQ-MRVPVSSYSA-N 252.293 0.845 0 50 CCAA CO[C@H]1C[C@@H](CO)N(CC(=O)NCc2ccccc2F)C1 314030491 QRQWXEVAJACVMF-STQMWFEESA-N 296.342 0.524 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCOC[C@H](O)C2)on1 77455368 LRAAFIIUZFVICJ-LLVKDONJSA-N 268.313 0.706 0 50 CCAA CN(Cc1cc(-c2ccccc2)no1)C(=O)Cn1cnnn1 72475488 OHNYZDQRJDRGIV-UHFFFAOYSA-N 298.306 0.987 0 50 CCAA CN1CCO[C@@H](CN(CC(=N)O)C(=O)C2CCCC2)C1 328655239 YFEBXVIOEISKRB-GFCCVEGCSA-N 283.372 0.871 0 50 CCAA C[C@@H](CN(C)c1ncc(Cl)cn1)c1nnn[nH]1 129862708 LENMOEKBUSNALP-LURJTMIESA-N 253.697 0.883 0 50 CCAA Cn1ccnc1SCCNC(=O)Cc1cnccn1 216142067 NKRGJVMGGMXQJZ-UHFFFAOYSA-N 277.353 0.661 0 50 CCAA Cc1n[nH]c([C@@H]2CN(CCOC[C@H]3CCCO3)CCO2)n1 257366235 OQKRNQVTZXWMNO-OLZOCXBDSA-N 296.371 0.682 0 50 CCAA C[C@H]1COCCN(C(=O)c2cnc3[nH]c(O)nc3c2)C1 367702081 LYPXPQCQRABAFV-MRVPVSSYSA-N 276.296 0.772 0 50 CCAA O=C(O)c1ccnc(-c2ccnc(Cn3cncn3)n2)c1 71765206 NRWFZMWEVDLMGV-UHFFFAOYSA-N 282.263 0.877 0 50 CCAA CSCC[C@H](O)C(=O)N1CCC(c2n[nH]c(C)n2)CC1 215766428 KETUWHRTBDCGRX-NSHDSACASA-N 298.412 0.933 0 50 CCAA C=CC(=O)NCCC(=O)N[C@H]1CCOC2(CCC2)C1 490624992 VHXQONOUUVEDCI-NSHDSACASA-N 266.341 0.897 0 50 CCAA Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3N)CCO2)cn1 237708207 CGJGMTLYQSODKN-AGIUHOORSA-N 278.356 0.447 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N[C@H]1[C@@H]2c3ccccc3C[C@H]21 261988612 SLQIEHOHCOZZPL-LQHIQZRBSA-N 272.348 0.818 0 50 CCAA O=C(c1cccn2c(O)nnc12)N1CCO[C@H](C2CC2)C1 370712267 TWKHKOWESUTNIW-NSHDSACASA-N 288.307 0.686 0 50 CCAA C[C@H]1CCCN1C(=O)C(=O)N1CCC([C@@H]2CCCN2)CC1 335067774 MMZFUQVFVBPLFA-JSGCOSHPSA-N 293.411 0.988 0 50 CCAA O=C(/C=C/c1cncc(O)c1)N1CCN2C(=O)NC[C@H]2C1 373126556 QPSQQSAQOPYPJK-GXFZAYBSSA-N 288.307 0.036 0 50 CCAA COc1c(C)cnc(CN2CCO[C@H](C)[C@H]2C(N)=O)c1C 285224078 PKRCORNVNWHINB-YPMHNXCESA-N 293.367 0.782 0 50 CCAA Cc1nonc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 223719067 CTXDOGTUWJIHOI-UBHAPETDSA-N 291.311 0.354 0 50 CCAA COc1ccc(C2(C(=O)N[C@H]3CCNC3=O)CC2)cc1 223634403 KFNICVHJDXLPMR-LBPRGKRZSA-N 274.320 0.732 0 50 CCAA CCC[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1NS(C)(=O)=O 82160371 UOIIWXMRMQCFQE-GHMZBOCLSA-N 286.401 0.559 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCc3nocc3C2)cn1C 426658323 JYFRCAIJIRSWGZ-UHFFFAOYSA-N 273.292 0.880 0 50 CCAA CN(C)C(=O)c1n[nH]c(-c2ccc3c(c2)OCCO3)n1 426491606 XIGRSZYZBHCXQU-UHFFFAOYSA-N 274.280 0.945 0 50 CCAA CN[C@@H]1CCN(C(=O)c2cc(-c3ccncc3)nn2C)C1 911660266 JFWKLNAWXSSUJE-GFCCVEGCSA-N 285.351 0.916 0 50 CCAA C[C@@H]1OCCN(S(=O)(=O)C[C@@H]2CCCCO2)[C@H]1C 178375864 SXPXFIRYOAOOSG-SRVKXCTJSA-N 277.386 0.995 0 50 CCAA CCc1c(C)nn(CC(=O)N[C@H](C)C(=O)O)c1C 426693928 YHOGNUFZUFKPOZ-MRVPVSSYSA-N 253.302 0.652 0 50 CCAA COCc1cc(-c2nc3c([nH]2)CCCNC3=O)n[nH]1 95368574 XSTGAZXXESRIJB-UHFFFAOYSA-N 261.285 0.622 0 50 CCAA CCOC[C@H](O)c1nc2c([nH]1)CC(C)(C)CNC2=O 95386077 JENMUKNECCTXFD-VIFPVBQESA-N 267.329 0.792 0 50 CCAA CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 238158080 JWFGCDQXXPBXRH-UWVGGRQHSA-N 259.302 0.777 0 50 CCAA NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c4ccccc4c32)N1 95615595 SMPPSGXPGZSJCP-FLIBITNWSA-N 295.302 0.457 0 50 CCAA in-vitro CN(CCCc1ccco1)[C@@H]1CS(=O)(=O)C[C@H]1O 244796171 RUGOJUPTTCCYFC-VXGBXAGGSA-N 273.354 0.302 0 50 CCAA C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc[nH]1 184076386 JXJXJFGXUODVKZ-LBPRGKRZSA-N 264.373 0.771 0 50 CCAA Cc1cnn([C@@H](C)CNC(=O)c2ccc3nnnn3c2)c1 534578195 ZPZUBSXFUQEOFZ-JTQLQIEISA-N 285.311 0.620 0 50 CCAA O=C(NCc1noc([C@H]2CCCO2)n1)c1ncccc1O 534588819 CYQLCWQQIZSCFH-SECBINFHSA-N 290.279 0.952 0 50 CCAA Cc1cnn([C@H](C)CNC(=O)CN2CCN(C)C2=O)c1 534592733 RJXODJPZNQQKPJ-LLVKDONJSA-N 279.344 0.236 0 50 CCAA Cc1ccn2nc(C(=O)N3CCO[C@H](CN)C3)cc2c1 534583214 WBUJSSYEZOSBDR-GFCCVEGCSA-N 274.324 0.442 0 50 CCAA OCC(CO)NC[C@H]1CCN(c2ccc(F)cc2)C1 534635297 NHFCENYXLFFOIB-LLVKDONJSA-N 268.332 0.595 0 50 CCAA CN(C)CCN1CC(=O)Nc2cc(F)ccc2C1=O 534648502 IPSKXQINDHKDGF-UHFFFAOYSA-N 265.288 0.782 0 50 CCAA O=C(CCN1CC[C@H]2OCc3cnnn3[C@H]2C1)NC1CC1 299792307 DOQZJSXCMXLLNZ-QWHCGFSZSA-N 291.355 0.092 0 50 CCAA CCc1cccc(NC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)n1 1940195786 MOKQGJBIFUYSFR-SNVBAGLBSA-N 290.323 0.865 0 50 CCAA Cc1cc(NC(=O)[C@@]23CCOC[C@@H]2CNC3)n(C)n1 715317918 RGSHFUZRFQQKFE-GXFFZTMASA-N 264.329 0.293 0 50 CCAA COCCN1CCC[C@H](CNC(=O)c2cnc[nH]2)C1 299798974 PSABQBXFRVNRAX-LLVKDONJSA-N 266.345 0.498 0 50 CCAA COCCN1CCC[C@@H](C(=O)NCCc2cc[nH]n2)C1 299758902 LODKMOHASZIMBV-GFCCVEGCSA-N 280.372 0.427 0 50 CCAA CCc1noc(CCNS(=O)(=O)N2CCCC2)n1 823569384 JGPOOVVVRBQMAY-UHFFFAOYSA-N 274.346 0.105 0 50 CCAA CC(C)c1nc(CCNC(=O)c2cncn2C)no1 584886547 LUUGFWXEJMSNRN-UHFFFAOYSA-N 263.301 0.899 0 50 CCAA COc1nc(NCCCN2CCC[C@@H](O)C2)ncc1F 670461659 UHZHAXHBASKBNC-SNVBAGLBSA-N 284.335 0.883 0 50 CCAA C=CC(=O)N1CCN(c2ccc(OCC)nn2)CC1 1336680955 HMRPKPSLMQYBLF-UHFFFAOYSA-N 262.313 0.710 0 50 CCAA CC(C)Cc1cc(C(=O)NCc2nc(N)n[nH]2)nc(O)n1 952978695 RNMWZFCODZKZIO-UHFFFAOYSA-N 291.315 0.011 0 50 CCAA O=C(Cc1ccccc1O)N[C@H]1CCOC[C@@H]1OCCO 1565506239 IIKTWQOPCXPIFB-JSGCOSHPSA-N 295.335 0.217 0 50 CCAA COc1ccnc(C(=O)N[C@H]2CCOC[C@@H]2OC)c1 1565510639 WZSQJPHSDFKESL-JQWIXIFHSA-N 266.297 0.624 0 50 CCAA O=C(NS(=O)(=O)c1cnc2n1CCC2)[C@H]1C[C@@H]1C1CC1 408024267 ZDBFDBKCKJITHZ-ZJUUUORDSA-N 295.364 0.680 0 50 CCAA C=CC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 408525900 IUBOJFXJUPXZGZ-UHFFFAOYSA-N 277.368 0.913 0 50 CCAA C[C@H]1CN2CCC[C@@H]2CN1C(=O)CCCc1nn[nH]n1 635565316 NGSBPQOSWQKBDI-WDEREUQCSA-N 278.360 0.218 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1ccncc1F 643765951 VISABIDLHOOAII-AWEZNQCLSA-N 281.331 0.948 0 50 CCAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)N[C@H]1CC[C@H](O)CC1 677228964 AJMXKJWBLAQTBB-AVGNSLFASA-N 295.383 0.743 0 50 CCAA CC(C)(C)CN1CCC[C@H](N2CCOC[C@@H]2CO)C1=O 585094527 YLMOLZWJUBYILE-STQMWFEESA-N 284.400 0.717 0 50 CCAA O=C1C[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CO1 585087042 DAKIGKBSPHDZPR-NWDGAFQWSA-N 294.351 0.314 0 50 CCAA CC(C)(C)CN(CC(=O)O)C(=O)CN1CCCCC1=O 659783734 XJRMITBAVFUSQI-UHFFFAOYSA-N 284.356 0.958 0 50 CCAA Cn1nnc([C@@H](O)CNCc2ccc(Cl)cc2)n1 19691149 LFOMFHAPLYNHQU-JTQLQIEISA-N 267.720 0.687 0 50 CCAA CC(C)(C)NC(=O)CN1CCS(=O)(=O)C[C@H]1C1CC1 331420989 DZPITJICISQZPJ-NSHDSACASA-N 288.413 0.410 0 50 CCAA Cc1nscc1C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 332685291 UJMTVUATGWDMDP-SECBINFHSA-N 288.394 0.958 0 50 CCAA Cn1nccc1[C@@H]1OCCC[C@H]1CNS(C)(=O)=O 657200368 JLNWZUOJCHFOEF-GXSJLCMTSA-N 273.358 0.437 0 50 CCAA Cc1nnsc1CN=c1[nH]nc2n1CCCC2 1875283822 DBVANWIALRGKTP-UHFFFAOYSA-N 250.331 0.808 0 50 CCAA COC(=O)N1CCN(C(=O)c2cnc(C)[nH]2)CC1 494106618 JKOQMMHKZJOPDF-UHFFFAOYSA-N 252.274 0.242 0 50 CCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc(F)cc1F 1857679281 RRFBWBDJZZWQIS-DDHJBXDOSA-N 285.246 0.222 0 50 CCAA Nc1cncc(N2CCC[C@@H](c3cc(O)ncn3)C2)n1 1857680388 LYHLDABCWKWIGK-SECBINFHSA-N 272.312 0.938 0 50 CCAA O=C(c1cc2ncccn2n1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1857682285 UUXSUALTMOXTFY-URLYPYJESA-N 272.308 0.572 0 50 CCAA Cc1nc(O)cc(CNC(=O)[C@@H]2CCn3nccc3C2)n1 1875250926 CUNQJVWFFLNCRQ-SNVBAGLBSA-N 287.323 0.566 0 50 CCAA O=C(CN1C(=O)CCC1=O)NCCc1ccccc1 439431 AXOZITWEFRJOOA-UHFFFAOYSA-N 260.293 0.494 0 50 CCAA COC(=O)[C@@H](CO)NC(=O)OCc1ccccc1 1859317 CINAUOAOVQPWIB-SNVBAGLBSA-N 253.254 0.447 0 50 CCAA in-vitro CO[C@@H]1CN(c2nc(C)cc(C)n2)C[C@H]1c1cnn[nH]1 621336867 BRVPCZZAMIZXAT-CMPLNLGQSA-N 274.328 0.830 0 50 CCAA COCCS(=O)(=O)N1CCC[C@H]1c1ncccn1 907331293 GETHVWLEOWPHOF-JTQLQIEISA-N 271.342 0.590 0 50 CCAA Cc1ncoc1CNS(=O)(=O)c1cn2c(n1)CCCC2 907598516 QZZYDBTYSPBMMP-UHFFFAOYSA-N 296.352 0.994 0 50 CCAA O=C([C@H](O)c1ccc(C(F)(F)F)cc1)N1CC(O)C1 820832486 WXBDZRSCRNUCNK-SNVBAGLBSA-N 275.226 0.942 0 50 CCAA CC(C)n1nnc(NC(=O)N[C@@H]2CC23CCOCC3)n1 933459774 RNXJQTFICVCFJL-SECBINFHSA-N 280.332 0.945 0 50 CCAA CCn1cc(C(=O)Nc2nc3cccnc3n2C)nn1 935428292 MMEZCIDBJSYXON-UHFFFAOYSA-N 271.284 0.832 0 50 CCAA CNC(=O)[C@]12CCOC[C@@H]1CN(c1ncc(Cl)cn1)C2 952852389 HTHAFHMGVPBRCN-ZANVPECISA-N 296.758 0.719 0 50 CCAA CCCN1CCc2c(cnn2C)[C@@H]1C(=O)N(C)C 1875288982 OCLZDRKRMSHCIY-GFCCVEGCSA-N 250.346 0.818 0 50 CCAA O=C(NS(=O)(=O)[C@H]1CCOC1)[C@@H]1[C@H]2CC(F)(F)C[C@H]21 1875303552 DCGWOGIQDJXLHU-RBXMUDONSA-N 295.307 0.513 0 50 CCAA Cc1cnn([C@@H]2[C@@H](NC(=O)Cc3ccc[nH]3)C[C@H]2O)c1 888077170 PXSJJGVLNYWNDP-OUCADQQQSA-N 274.324 0.553 0 50 CCAA C[C@@H]1CO[C@H](C(=O)NS(=O)(=O)Cc2cccnc2)C1 1774746365 ZZRVCULOIYHNGR-ONGXEEELSA-N 284.337 0.453 0 50 CCAA C=CC(=O)NC1C[C@@H]2CC[C@H](C1)N2S(C)(=O)=O 1776007252 GIMLYYIUCLUPGZ-PBINXNQUSA-N 258.343 0.244 0 50 CCAA C[C@@H](CN(C(=O)[C@@H]1CC(=O)N(C)C1)C1CC1)C(=O)O 237456940 NGZUTKGYDDWBKV-DTWKUNHWSA-N 268.313 0.176 0 50 CCAA C[C@@H]1CC[C@H](N2CCN(CCOCCO)CC2)C1 23280150 HXVIECWWFQJMOW-KGLIPLIRSA-N 256.390 0.802 0 50 CCAA CN(C(=O)c1cc2ccccc2c(=O)[nH]1)[C@H]1CCNC1 179045552 QXZYWMJQYFLNFF-NSHDSACASA-N 271.320 0.962 0 50 CCAA CCN1CCN(Cc2cc(OC)ccn2)C(=O)C1=O 95530753 RDUCSXNEONNPHD-UHFFFAOYSA-N 263.297 0.281 0 50 CCAA CC1(C)C[C@@H](O)CCN(C(=O)Cc2cc[nH]n2)C1 395397566 RHIZHTRKAFTYBC-NSHDSACASA-N 251.330 0.962 0 50 CCAA CO[C@H](C)[C@@H](C)NCC1(O)CN(C(=O)OC(C)(C)C)C1 895205779 HLZANIQMZAAYMM-GHMZBOCLSA-N 288.388 0.981 0 50 CCAA CCCN1Cc2nnc(-c3ccnn3C)n2[C@H](C)C1=O 2356146931 ALKMTCGOWDHFKE-SECBINFHSA-N 274.328 0.992 0 50 CCAA CN(C)CCNC(=S)NC(=O)c1ccccc1 3238250 BBFPNNIKYJIDIP-UHFFFAOYSA-N 251.355 0.853 0 50 CCAA CC(=O)N[C@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1 222040029 QLCUVAGQDXXBEF-UONOGXRCSA-N 275.352 0.814 0 50 CCAA CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccco1 55376692 AMQYILINLAEERP-LLVKDONJSA-N 266.297 0.533 0 50 CCAA Cc1ccnc(C[C@@H](C)N(C)C(=O)CS(C)(=O)=O)c1 55154465 OFIBAPXEVNFQHZ-LLVKDONJSA-N 284.381 0.824 0 50 CCAA Cc1n[nH]c(SCC(=O)NC[C@H]2CCCN2)n1 55088451 WHNZLAIIEYQJHV-MRVPVSSYSA-N 255.347 0.073 0 50 CCAA COCCN1CC[C@H](CNc2nccc(OC)n2)C1 65946507 GLZGIKKJMCRFTB-LLVKDONJSA-N 266.345 0.865 0 50 CCAA CN(CC1(CO)CC1)C(=O)C[C@H]1CCCCNC1=O 366871324 RJRHAVSJDGMYLJ-LLVKDONJSA-N 268.357 0.524 0 50 CCAA CCc1cccnc1C(=O)N1CCN2C(=O)N=C(O)[C@@H]2C1 328969142 APFMJNZLVFTVMW-JTQLQIEISA-N 288.307 0.861 0 50 CCAA Cc1noc([C@H]2CCN(C(=O)Cn3cccn3)C2)n1 329055401 LZKUCKYSSKSPOW-JTQLQIEISA-N 261.285 0.591 0 50 CCAA CNC(=O)c1ccccc1S(=O)(=O)CCOC 39404060 NJWLQLIRHBMULW-UHFFFAOYSA-N 257.311 0.466 0 50 CCAA C[C@@H]1CCOCCN1C(=O)COc1ccc(C(N)=O)cc1 362238814 OYFGKMSGYIWHNY-LLVKDONJSA-N 292.335 0.802 0 50 CCAA CN1CCN(S(=O)(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)CC1 77320773 IPIBZLSEPNUOBJ-AVGNSLFASA-N 287.429 0.647 0 50 CCAA COc1ncc(/C=C/C(=O)N2C[C@H](OC)C[C@H]2CO)cn1 367566743 RHTWFMFQRAGFIV-HEKLCECKSA-N 293.323 0.107 0 50 CCAA Cc1cccn2c(CC(=O)N[C@H]3CC[C@H]3N)cnc12 72477291 ONVMVNWVUHWKRY-NEPJUHHUSA-N 258.325 0.791 0 50 CCAA COCc1nc(CN2CCC(N3CCCC3=O)CC2)no1 71748412 ZKWISXNVWCZPHF-UHFFFAOYSA-N 294.355 0.803 0 50 CCAA Cn1ncc2c(=O)n(Cc3nc4ccccc4o3)nnc21 156344443 UEFSWHIQYZHRFP-UHFFFAOYSA-N 282.263 0.715 0 50 CCAA CC(C)(Cc1ccc(F)cc1)NC(=O)[C@@H]1CNCC(=O)N1 71639561 FSZCHQZGQLGHMF-LBPRGKRZSA-N 293.342 0.351 0 50 CCAA O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@H]1COCCN1 262635114 OACFSOHMEVXXCR-NEPJUHHUSA-N 284.743 0.478 0 50 CCAA CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H](C)[C@@H]1CN 236731546 DTPVIXSAKIISPF-NEPJUHHUSA-N 290.429 0.643 0 50 CCAA Cc1ccnc(NC(=O)NC[C@H]2CNCCCO2)c1 333186509 TTWKVKXFJFBRCB-LLVKDONJSA-N 264.329 0.890 0 50 CCAA O=C(NC[C@H](O)C1CCOCC1)[C@@H]1C[C@H]1C1CC1 333165679 OPLUTZKFYXIHGM-XQQFMLRXSA-N 253.342 0.936 0 50 CCAA CCn1ccc(C(=O)N2CC[C@](O)(CC)[C@H](O)C2)cc1=O 72473074 GFRMMJSDSLKOKG-IUODEOHRSA-N 294.351 0.216 0 50 CCAA Cc1noc(CN2CCN(C(=O)[C@H]3CCC[C@H]3N)CC2)n1 237689583 QUFZQXGOCIOBQS-NWDGAFQWSA-N 293.371 0.150 0 50 CCAA Cc1cc(=O)[nH]c(CCNC(=O)c2cccc(F)c2O)n1 223725419 YQSOHVYEAXIUAY-UHFFFAOYSA-N 291.282 0.896 0 50 CCAA CNC(=O)[C@H]1CN(Cc2ccco2)C[C@@H]1c1cnn(C)c1 284539492 HPPYINOKEJSITH-KGLIPLIRSA-N 288.351 0.975 0 50 CCAA NS(=O)(=O)c1ccc(N[C@@H]2CCOC2)c(C(=O)O)c1 131566309 CSAQUZVMUCASDU-SSDOTTSWSA-N 286.309 0.233 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)N(C)[C@@H](C)C(=O)O 263345523 YWKQJDSJJWIIBV-LPEHRKFASA-N 259.302 0.502 0 50 CCAA C[C@@](O)(C(=O)NCc1ccc(NC(N)=O)cc1)C1CC1 286401441 RGJJDSDCPCJQJN-AWEZNQCLSA-N 277.324 0.954 0 50 CCAA Cc1nn(C)cc1CNC(=O)N1CCc2nc[nH]c2C1 426475441 ORUJVOZWVGVMOY-UHFFFAOYSA-N 274.328 0.720 0 50 CCAA C[C@H]1CS(=O)(=O)CCN1C(=O)[C@H](N)c1ccccc1 178141965 YGKGLLPNHYTSRK-CMPLNLGQSA-N 282.365 0.332 0 50 CCAA C[C@H]1C[C@H](NC(=O)c2csc(CN)n2)CN1C1CC1 237566359 KAAHBIRPANVUOL-IUCAKERBSA-N 280.397 0.957 0 50 CCAA C[C@H]1CN(c2ccc(C(N)=O)cn2)C[C@H](C)S1(=O)=O 290913725 WOLPEQJHEZBKRP-IUCAKERBSA-N 283.353 0.192 0 50 CCAA Cc1ccc2oc(C(=O)NC3(C(N)=O)CC3)cc2n1 178698066 OFWVLDDBDUUCDO-UHFFFAOYSA-N 259.265 0.884 0 50 CCAA COCCn1cnnc1CN(C)C(=O)N[C@@H](C)COC 426409451 RJDSASVGGPRHMB-JTQLQIEISA-N 285.348 0.101 0 50 CCAA C[C@H]1CN(C(=O)c2ncncc2Cl)C[C@@H](C)N1 179147992 UZKLVKWLXRZIEM-OCAPTIKFSA-N 254.721 0.952 0 50 CCAA O=C(O)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 249315304 PKDGVZZFJYCDCH-MXWKQRLJSA-N 294.351 0.757 0 50 CCAA O=C1N[C@H]2CCC[C@@H]1CN(CCCn1cccn1)C2 244734441 NFOSXXMMOUMKAI-OLZOCXBDSA-N 262.357 0.874 0 50 CCAA Cc1nccc(C(=O)N[C@@H]2CCc3nccn3C2)n1 623805808 GOAOBSIIMZGLRH-SNVBAGLBSA-N 257.297 0.726 0 50 CCAA C[C@@H](NC(=O)c1n[nH]c2c1CCC2)C(=O)N(C)C 298601934 UURPYSXGXBADOT-SSDOTTSWSA-N 250.302 0.105 0 50 CCAA C[C@H](NC(=O)c1ncn([C@H]2CCCNC2)n1)[C@H]1CCCO1 299739320 NHNNMCHQRKUUDZ-SDDRHHMPSA-N 293.371 0.500 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CN1CCCCCC1 534654274 GDSVWOUSYWKRAH-CHWSQXEVSA-N 279.384 0.799 0 50 CCAA O=C1Nc2c(sc3ncccc23)C(=O)N2C[C@H](O)C[C@@H]12 534658960 ZTBFAFMDSZHNTN-SVRRBLITSA-N 289.316 0.824 0 50 CCAA Nc1nc(CCCn2cnc3nccnc3c2=O)cs1 584890819 QWCDIAGRFFGIPX-UHFFFAOYSA-N 288.336 0.858 0 50 CCAA O=c1c2cccc(Cl)c2ncn1Cc1nc(O)n[nH]1 584886609 WETQFDRAVFKRCM-UHFFFAOYSA-N 277.671 0.922 0 50 CCAA CN(C)C(=O)[C@H]1CN(C2CSCCSC2)CCO1 584890079 LOBVJTKIQIITED-LLVKDONJSA-N 290.454 0.624 0 50 CCAA CN(CC(C)(C)CO)C(=O)CN1CC[C@@H](N(C)C)C1 952973508 SSSYAYIKUSAGPU-GFCCVEGCSA-N 271.405 0.099 0 50 CCAA CC(C)CN1CCN(C[C@@H]2[C@H]3CNC[C@H]32)C[C@H]1CCO 952965472 QUDGPZIOYNLREJ-WCVJEAGWSA-N 281.444 0.476 0 50 CCAA CC(C)C(=O)NCCN(C)C(=O)/C=C/CN(C)C 271024412 MZNXGTPQIUSTNV-VOTSOKGWSA-N 255.362 0.335 0 50 CCAA CC(C)(C)SCC(=O)NCC(=O)N=S(C)(C)=O 585089295 BIJHHHVUDAGKDP-UHFFFAOYSA-N 280.415 0.889 0 50 CCAA COc1cncc(CNS(=O)(=O)c2cn(C)c(C)n2)c1 585139398 VBVCJDIKUCWFIN-UHFFFAOYSA-N 296.352 0.611 0 50 CCAA CCN1C(=O)[C@@H]2CN(c3nnc(C4CC4)o3)CCN2C1=O 683458713 JQKHWEGKJYIHBX-VIFPVBQESA-N 291.311 0.420 0 50 CCAA Cn1c(Cl)cnc1CN1CC[C@](O)(Cn2ccnn2)C1 794156691 XRIXQPZEHVNSEA-GFCCVEGCSA-N 296.762 0.302 0 50 CCAA CC[C@H](C)[C@H](C(=O)NCCCn1ccnc1)n1cnnn1 1615156292 UGCKCXPUCRQUHC-NWDGAFQWSA-N 291.359 0.663 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N1C[C@H](O)[C@@H](F)C1 1615705970 KUPNCTANQVZTNZ-UWVGGRQHSA-N 268.292 0.006 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)CCN1Cc1ccc2c(c1)OCCO2 1616103486 DSSURHYTXFEESM-NEPJUHHUSA-N 293.319 0.868 0 50 CCAA O[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)CC1 1506418175 FEUFDMKTSBLRDH-NSHDSACASA-N 296.346 0.804 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCCOc2nonc2C)CC[C@@H]1O 1704337137 WHAXBBYAGBHVQI-OUAUKWLOSA-N 299.327 0.049 0 50 CCAA CN1CC[C@@H]2CN(C(=O)CCCn3cccn3)C[C@@H]2C1=O 1775981660 BWQWFCPQJJDJCP-OLZOCXBDSA-N 290.367 0.600 0 50 CCAA O=C1[C@H]2CN(Cc3ccccc3)CCN2C(=O)[C@@H]2CCCN12 14537788 YBPFFVUDZIPLIW-LSDHHAIUSA-N 299.374 0.704 0 50 CCAA C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H]1CCc2nn[nH]c2C1 408033439 LZOAFWFLKODUEL-OPRDCNLKSA-N 291.355 0.022 0 50 CCAA C[C@H]1CN(C(=O)NCc2nnnn2C2CC2)CCCO1 608731243 MRVYLUCIHCPNSE-VIFPVBQESA-N 280.332 0.328 0 50 CCAA COc1cncc(CN2CC[C@H](CN3CCOCC3)C2)n1 625183968 NUBVQBPREUSQBU-CYBMUJFWSA-N 292.383 0.639 0 50 CCAA COc1ccc(C(C)(C)C(=O)N[C@@H]2CNC(=O)C2)cc1 330727066 FXYONCRYVIXYIF-NSHDSACASA-N 276.336 0.978 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)O 663289965 MFJHGKMQAOJWPH-SNVBAGLBSA-N 299.352 0.654 0 50 CCAA Cn1nnc2c1C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)CC2 562053754 JIMIRZCIIUGDPI-SNVBAGLBSA-N 299.334 0.658 0 50 CCAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)c1cn[nH]c1 910201830 CWDHZEYWFFMDJM-SNVBAGLBSA-N 261.237 0.827 0 50 CCAA Cc1noc(COC2CN(C(=O)[C@H]3CCC=CO3)C2)n1 818663984 ZFCKSFVHODGXHO-LLVKDONJSA-N 279.296 0.798 0 50 CCAA CCOCCC(=O)N1CC[C@@H](c2n[nH]cc2N)C1 864381108 QWIGQVSSOXRWEQ-SECBINFHSA-N 252.318 0.734 0 50 CCAA CCN(C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2N)C1 236873230 BYYFCJOPRSAGSS-XQQFMLRXSA-N 253.390 0.914 0 50 CCAA C[C@@H]1OC(=O)N[C@H]1C(=O)NCC(=O)c1cccc(F)c1F 869561551 PSQJIKZLOSUGBC-UPONEAKYSA-N 298.245 0.761 0 50 CCAA O=C(O)CCNC(=O)CCCCCNC(=O)NC1CC1 1875299025 WCWKDYDOLOPPLC-UHFFFAOYSA-N 285.344 0.599 0 50 CCAA N[C@@H](CNC(=O)NC[C@@H]1CNCCCO1)c1ccccc1 1875349472 YKJAMLOPVVPULO-KBPBESRZSA-N 292.383 0.364 0 50 CCAA Cn1cc(-c2cncc(C(=O)NS(C)(=O)=O)c2)cn1 1875390730 DFMQYILVEFLOAD-UHFFFAOYSA-N 280.309 0.172 0 50 CCAA CC[C@H]1CN(C)CCN1C(=O)Cc1ccccc1C(N)=O 1875391302 VNOHKLSKENWIMS-ZDUSSCGKSA-N 289.379 0.881 0 50 CCAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cc(F)c[nH]1 886999153 MBIDSMHZRTWNOG-GHMZBOCLSA-N 268.288 0.814 0 50 CCAA C=CC(=O)N1CC[C@](NC(C)=O)(c2noc(C)n2)C1 1776004968 VAZAEKFENPNJJB-GFCCVEGCSA-N 264.285 0.128 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)C1CCSCC1 263242026 CKXGTGKTTPQEJB-JTQLQIEISA-N 273.354 0.832 0 50 CCAA O=S(=O)(NCC1(CO)CCC1)c1cccnc1 183307753 GLSLFTQJZKNYJU-UHFFFAOYSA-N 256.327 0.523 0 50 CCAA O=C(Cc1cnc[nH]1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 2100540741 OFRVOJFTIBGMAM-TZMCWYRMSA-N 286.335 0.409 0 50 CCAA CC1(CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)O)C2)COC1 333945110 SMPLQRVKLREMQD-IINYFYTJSA-N 282.340 0.919 0 50 CCAA CC(C)(C)c1nc(N2C[C@@H]3OC[C@H](C(=O)O)[C@@H]3C2)no1 2325783518 COINCFNAKLFJPG-CIUDSAMLSA-N 281.312 0.903 0 50 CCAA O=CN1CCN(C(=O)c2ccc(Br)o2)CC1 461996 PEKJYANPXRYBPU-UHFFFAOYSA-N 287.113 0.956 0 50 CCAA Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 1997127 GOTYRUGSSMKFNF-JTQLQIEISA-N 259.265 0.030 0 50 CCAA fda Cc1ocnc1C(=O)N1CCC2(CC1)CNC(=O)CO2 2356164387 QUCHNODJGIZLGK-UHFFFAOYSA-N 279.296 0.104 0 50 CCAA CC[C@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 3099652 GBVAMMGFBVZXEA-WCFLWFBJSA-N 277.368 0.573 0 50 CCAA O=C(NCCO)C(=O)NCc1ccc(Cl)cc1 4954370 NHHZKCXOXYNERM-UHFFFAOYSA-N 256.689 0.065 0 50 CCAA O=C(CN1CCOCC1)Nc1ccc2c(c1)OCO2 21554743 VBSZPIBOTGJIDV-UHFFFAOYSA-N 264.281 0.686 0 50 CCAA CC(C)(CNc1ccn2nccc2n1)NS(C)(=O)=O 135350828 UCJVDHANPLXGSD-UHFFFAOYSA-N 283.357 0.469 0 50 CCAA CN(C)c1ccc(C(=O)NC[C@H]2CNCCO2)c(F)c1 423991858 FOODHFVMMOUJKP-LLVKDONJSA-N 281.331 0.610 0 50 CCAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)C[C@H]2CCCO2)C1 257366098 IYGRRVGCYPPUMH-TUAOUCFPSA-N 276.402 0.425 0 50 CCAA CCc1nc2n(n1)C[C@H](N[C@@H](CC)Cn1cncn1)CC2 328840052 OQSYJSGXLSVMRG-NWDGAFQWSA-N 289.387 0.815 0 50 CCAA CCN1CCC[C@H](NC(=O)c2c(OC)ncnc2OC)C1 171808371 JMAYMPLBCMXUPH-JTQLQIEISA-N 294.355 0.708 0 50 CCAA CC(C)c1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)n[nH]1 236600950 WOAPUZIFASUXIT-SECBINFHSA-N 281.312 0.849 0 50 CCAA CC1=C[C@@H](C)CN(C(=O)C(C)(C)NS(C)(=O)=O)C1 336551876 PFPNYFSZPCCPDC-SECBINFHSA-N 274.386 0.739 0 50 CCAA O=S(=O)(C1CC1)N1CCC(Nc2cccnn2)CC1 173203881 FETOPAHCDUETHB-UHFFFAOYSA-N 282.369 0.845 0 50 CCAA O=C(NC[C@@H]1CCCO1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 222489698 QHISLNKQAONDBW-UHFZAUJKSA-N 265.309 0.805 0 50 CCAA CCCc1cc(C(=O)N[C@@H]2CCCCNC2=O)[nH]n1 42480008 PHMOIYSCHCZOMG-SNVBAGLBSA-N 264.329 0.761 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(O)nc2)N(C)C1 285009256 GUTWFTOTXNABBZ-RYUDHWBXSA-N 279.340 0.578 0 50 CCAA COC(=O)c1cccc(NS(=O)(=O)N(C)C)c1N 339094743 NSLZKHUMZQRMQJ-UHFFFAOYSA-N 273.314 0.274 0 50 CCAA COCc1nc(CNC(=O)[C@@H]2CCCCCN2C)no1 95378245 RKMRIKBQDCOBHK-JTQLQIEISA-N 282.344 0.707 0 50 CCAA CC[C@H](CO)N1CCN(C(=O)C(C)(C)OC)CC1 179395991 YJYLMGDIQGEVQX-LLVKDONJSA-N 258.362 0.327 0 50 CCAA CCN1CCC[C@](C)(C(=O)NCCc2cc(=O)[nH]cn2)C1 95353729 ZFIQPKNKCHAWLH-HNNXBMFYSA-N 292.383 0.551 0 50 CCAA Cc1cc([C@@H]2CCCN2C(=O)CN2C(=O)CNC2=O)on1 95389020 NFHTXKZZAXQWNQ-VIFPVBQESA-N 292.295 0.198 0 50 CCAA CSCC(=O)N1C[C@@H](CO)C[C@H](CN2CCCC2)C1 92022082 YOESVOWNRMEDFJ-OLZOCXBDSA-N 286.441 0.902 0 50 CCAA COCCN1C[C@H](Cc2cc(C)nc(N(C)C)n2)CC1=O 244866637 VZOVAPXSAPZWGA-GFCCVEGCSA-N 292.383 0.888 0 50 CCAA CCC[C@@H]1C(=O)NCCN1C(=O)Cc1ccncc1 182172968 LYFZCCLUNGHRJT-GFCCVEGCSA-N 261.325 0.751 0 50 CCAA C[C@H]1CCc2[nH]nc(C(=O)NCc3nc(N)n[nH]3)c2C1 534666965 ULCZWNBWKDOWON-LURJTMIESA-N 275.316 0.165 0 50 CCAA CCn1nccc1S(=O)(=O)N(C)C[C@H]1CCCNC1 534640395 YPHCCVZJQQZXEV-NSHDSACASA-N 286.401 0.523 0 50 CCAA CCn1nccc1S(=O)(=O)N1CCC[C@@H](CN)C1 534590700 WKYGMWICLAQAJP-JTQLQIEISA-N 272.374 0.262 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1Cc1ccncc1 299793438 HCMUSMXWLYIXFA-KGLIPLIRSA-N 276.384 0.852 0 50 CCAA CCNC(=O)[C@@H]1CCN(c2ncnc3[nH]cnc23)C1 823123310 BTRQTLBKHTUNEE-MRVPVSSYSA-N 260.301 0.315 0 50 CCAA Cc1n[nH]cc1CN(C)C(=O)CCCN1CCOCC1 584903773 ZBFDGVPCMMUSCR-UHFFFAOYSA-N 280.372 0.789 0 50 CCAA CC[C@](O)(CCCO)CNC(=O)c1nccn1C 584898248 OSBRFWSBHKPRNC-LBPRGKRZSA-N 255.318 0.064 0 50 CCAA CSc1ncc(CNS(=O)(=O)N2CCCC2)n1C 824959015 IIMLGLTVZBJIJV-UHFFFAOYSA-N 290.414 0.572 0 50 CCAA CN(C)S(=O)(=O)NCc1c[nH]nc1-c1ccccc1 823725403 AQDVEXOZZAPARR-UHFFFAOYSA-N 280.353 0.973 0 50 CCAA CC(C)c1noc([C@H](C)NS(=O)(=O)N(C)C)n1 822285220 VUINXAGFAHEIRV-ZETCQYMHSA-N 262.335 0.650 0 50 CCAA COCCN1CC[C@H](C(=O)NCCN2CCCCC2=O)C1 584893430 XRBYCZAUCIPREJ-ZDUSSCGKSA-N 297.399 0.083 0 50 CCAA Cc1nc([C@@H](C)NC(=O)c2c(Cl)cnn2C)n[nH]1 670444287 VKBXZPLNLQQKQK-RXMQYKEDSA-N 268.708 0.991 0 50 CCAA CCOC(=O)[C@@H]1CCc2c(C(=O)OC)c(O)cc(=O)n21 1531864979 FOAKEOPDNAGJFH-QMMMGPOBSA-N 281.264 0.391 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(C2CC2)[nH]n1 1565513996 CSMWGNJMCPASLZ-VZLIPTOUSA-N 290.367 0.734 0 50 CCAA Cn1cnc(C(=O)NS(=O)(=O)CCC2CCCC2)n1 408505271 YTKRYYJNLNZFJM-UHFFFAOYSA-N 286.357 0.455 0 50 CCAA C[C@H]1CN(c2ncccn2)CCN1CC(C)(C)O 275593978 RNNDJKWSVUIILJ-NSHDSACASA-N 250.346 0.758 0 50 CCAA CSCCC(=O)NS(=O)(=O)Cc1ccccn1 170619551 OOLCGZASSXNPIO-UHFFFAOYSA-N 274.367 0.781 0 50 CCAA COC(=O)c1ccc(S(=O)(=O)NCc2c[nH]nc2C)o1 170619715 KQZTZXTVRWPGHM-UHFFFAOYSA-N 299.308 0.576 0 50 CCAA O[C@@H]1C[C@H](Nc2nccn3cnnc23)[C@H]1n1cccn1 664112951 CAFAHLXBQLOBKY-IVZWLZJFSA-N 271.284 0.107 0 50 CCAA CCN1CN(C(=O)c2csc(NC(C)=O)n2)CC1=O 190595293 RMLAXRQWLRZCTB-UHFFFAOYSA-N 282.325 0.363 0 50 CCAA CCc1c(C(=O)N2CCC[C@@]2(COC)C(N)=O)ccn1C 643938419 OZPQDIAYMUHNFH-OAHLLOKOSA-N 293.367 0.694 0 50 CCAA Cn1cnc(C(=O)N[C@H](CC(=O)O)C(F)(F)F)c1 710818563 CUPRWVSKMIWJST-ZCFIWIBFSA-N 265.191 0.556 0 50 CCAA O=C1CCCC[C@@H](C(=O)N2CC[C@@]3(CCOC3)C2)N1 194303794 MBQFHYWONMAUBB-SMDDNHRTSA-N 266.341 0.684 0 50 CCAA CN(Cc1cn(C)nn1)C(=O)[C@H]1CNCC12CCCCC2 1615553341 JNLQVDNELVYZGX-CYBMUJFWSA-N 291.399 0.943 0 50 CCAA O[C@H]1CN(c2ncccc2-c2ncon2)C[C@@H]1F 1616071365 JAOGZHXXDOWRJV-IUCAKERBSA-N 250.233 0.651 0 50 CCAA CC(C)(O)[C@H](O)CN1CCC[C@@H](C(=O)NC2CC2)C1 1647651476 CNNRUSXOVWJEGR-ZYHUDNBSSA-N 270.373 0.109 0 50 CCAA CCCN1C[C@H](Nc2nc(N)c3cnn(C)c3n2)CC1=O 1506414992 JLDQZSIDXYIZQO-MRVPVSSYSA-N 289.343 0.368 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(C)on3)C[C@H]2O)on1 1529178189 JWCHUMAKCGRTBE-ZWNOBZJWSA-N 291.307 0.955 0 50 CCAA Cc1ccccc1CC(=O)N1CCC[C@](O)(C(N)=O)C1 225488266 JIARKKSHWRYLDL-OAHLLOKOSA-N 276.336 0.376 0 50 CCAA Cn1ncnc1[C@@H]1COCCN1Cc1nccs1 328908105 LYFGPMPUJGPEPJ-VIFPVBQESA-N 265.342 0.845 0 50 CCAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CCCOC1 539605872 ADRDYYKTRZRBHQ-VXGBXAGGSA-N 285.340 0.895 0 50 CCAA Cc1sc(=O)n(CC(=O)N(C)CC(=O)O)c1C 153067779 IWZMKGJAABMTLU-UHFFFAOYSA-N 258.299 0.070 0 50 CCAA CC(C)c1nc(CN2C(=O)C[C@H]3NCC[C@H]32)no1 1800411810 OPLYJZJBNKHFEH-RKDXNWHRSA-N 250.302 0.656 0 50 CCAA Cn1ccc(NC(=O)CN2C[C@H]3C[C@H](O)C[C@H]3C2)n1 1775981140 AJIOGHRJWOHIIL-URLYPYJESA-N 264.329 0.061 0 50 CCAA Cc1c[nH]cc1C(=O)N1CCC(c2nn[nH]n2)CC1 913743095 FGUWIZMBPJGQAN-UHFFFAOYSA-N 260.301 0.856 0 50 CCAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCCn1cncn1)C2 248053917 RVYMCNRMRZGMHH-NEPJUHHUSA-N 291.355 0.138 0 50 CCAA CNS(=O)(=O)N1CCNC[C@H]1c1ccccc1Cl 903497571 KHXYJQFMGWIWDA-NSHDSACASA-N 289.788 0.751 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccco1)C2 1704307331 WPBMVJLZVBLDHU-QWRGUYRKSA-N 250.298 0.682 0 50 CCAA CCn1cc(CC(=O)N2CCC[C@H]2Cn2cccn2)nn1 932113567 CEMCHVOIBRDXSC-ZDUSSCGKSA-N 288.355 0.728 0 50 CCAA COCC(C)(C)Cn1nnnc1N(C)C[C@@H]1CCOC1 952876404 PKNOXZFHTDJMRO-NSHDSACASA-N 283.376 0.818 0 50 CCAA Cc1cc(N2CCCN(CC(=O)N(C)C)CC2)ncn1 952992945 MVMMFYPIGIIRSI-UHFFFAOYSA-N 277.372 0.385 0 50 CCAA COc1cc(C(=O)N2CC[C@@H](Cc3nn[nH]n3)C2)ccn1 1875285825 ATXNSAXJSXDGDO-VIFPVBQESA-N 288.311 0.308 0 50 CCAA CN(C)C/C=C/C(=O)N[C@H]1CCN(CC2CC2)C1 1875376041 WKRZZQAFMQODFQ-OOPCZODUSA-N 251.374 0.705 0 50 CCAA Cc1noc(C[C@@]2(O)CCCN(Cc3cnc[nH]3)C2)n1 886096875 MHINYTHMCXXVHL-ZDUSSCGKSA-N 277.328 0.671 0 50 CCAA CN1C[C@@H]2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)[C@@H]2C1 893022207 ZGZFNGUHYMRLAH-SGMGOOAPSA-N 278.400 0.569 0 50 CCAA CS(=O)(=O)c1ccc(CCNC(=O)[C@H]2C[C@@H](N)C2)cc1 1775986570 QAFYICJCLCSBQB-TXEJJXNPSA-N 296.392 0.486 0 50 CCAA CC(C)(C)OC(=O)N1CCN(C2=NCCCN2)CC1 1775954868 QWSZOXPDKOSXNJ-UHFFFAOYSA-N 268.361 0.888 0 50 CCAA O=C(c1cc[nH]c(=O)c1)N1CCN2CCCC[C@H]2C1 150899370 CSOLYTLPUOGELW-LBPRGKRZSA-N 261.325 0.685 0 50 CCAA C[C@H]1CN(S(=O)(=O)N2CCCC[C@H]2CN)C[C@@H](C)O1 158057561 JVMNRJRIUKCJLM-TUAOUCFPSA-N 291.417 0.154 0 50 CCAA CO[C@@H]1CC[C@H](C(=O)N[C@@H](C(=O)O)c2ccnn2C)C1 663060863 PRYNVXJHGPJPHL-IQJOONFLSA-N 281.312 0.477 0 50 CCAA CC(C)N1CC[C@H](N=c2ccnc(N(C)C)[nH]2)C1=O 607146395 NOOLGEMMAHPAQW-JTQLQIEISA-N 263.345 0.386 0 50 CCAA CNc1ncccc1C(=O)N[C@H]1COC[C@@H]1OC 824506748 PKDVADXNWCRIHH-UWVGGRQHSA-N 251.286 0.267 0 50 CCAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CCOC2)C1 246042076 XFRRJZDQAIFTJH-RWMBFGLXSA-N 267.373 0.901 0 50 CCAA CCOC(=O)[C@@]1(c2csc(N)n2)CCC(=O)O1 226330 KINAHUOHWWUXJV-JTQLQIEISA-N 256.283 0.821 0 50 CCAA O=c1c2c3c(sc2ncn1Cc1nnn[nH]1)CCCC3 4511491 QSBQXAOOVSQABJ-UHFFFAOYSA-N 288.336 0.898 0 50 CCAA in-vivo CC(=O)Nc1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1 4539085 MOFSHANVURXADJ-LBPRGKRZSA-N 290.323 0.062 0 50 CCAA COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(N)=O 6697869 SDFGEDGDQYBSBH-ZCFIWIBFSA-N 292.744 0.501 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)C)C1 10302143 SJXRJYTZIMDISX-SNVBAGLBSA-N 276.402 0.963 0 50 CCAA COCc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)o1 112647568 CRNCCFLHIUIGGL-SECBINFHSA-N 276.296 0.762 0 50 CCAA CNC(=O)C1CN(Cc2c[nH]nc2C(C)(C)C)C1 459608379 KQJMNYNMMSHGOU-UHFFFAOYSA-N 250.346 0.885 0 50 CCAA CC(=O)N(C)[C@@H]1CCN(c2ncc(C)c(N(C)C)n2)C1 65451901 DTVWNSQINHWOGD-GFCCVEGCSA-N 277.372 0.908 0 50 CCAA COC(=O)[C@@H](CO)NCC(=O)NC1CCCCCCC1 65381960 MANODNPTQOXUTM-GFCCVEGCSA-N 286.372 0.339 0 50 CCAA CN1CCN2C[C@@H](NC(=O)c3ccncc3F)C[C@H]2C1 67833363 PCJPSKJFGBTJPT-QWRGUYRKSA-N 278.331 0.339 0 50 CCAA CCc1nc(C)c(C(=O)NCC[C@H]2CN(C)CCO2)o1 67654834 WPUUPSHJRXRRNV-NSHDSACASA-N 281.356 0.996 0 50 CCAA Cc1cc(C)n(NC(=O)CCN2CCCCO2)c(=O)c1 67714154 QKQCLBAFDNZRIH-UHFFFAOYSA-N 279.340 0.953 0 50 CCAA COC(=O)COCC(=O)N1CC[C@@H](C)[C@H](OC)C1 356889878 HJUXXXZYLHSRJE-NXEZZACHSA-N 259.302 0.059 0 50 CCAA CCO[C@@H](C)c1ncc(C(=O)NCCn2cnnn2)s1 1362474063 AQAFBFQXPIIZBB-QMMMGPOBSA-N 296.356 0.657 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)CCc1cscn1 262511280 OYXGXDLYPJLKTE-SECBINFHSA-N 270.310 0.388 0 50 CCAA O=C(N[C@@H](C(=O)O)[C@@H]1CCCOC1)C1CC=CC1 262854346 UOCLVRCNAXUZAD-GHMZBOCLSA-N 253.298 0.949 0 50 CCAA C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)N1CCOCC1 334925663 BIVMMAXJGMBHRP-CHWSQXEVSA-N 267.373 0.997 0 50 CCAA CC[C@@H]1[C@@H](C(=O)NCC2(C(=O)OC)CC2)CCN1C 521396369 RDSNHEPPBKTCLL-WDEREUQCSA-N 268.357 0.786 0 50 CCAA COc1nccc(Cn2c(C)nn(C(C)C)c2=O)n1 450962068 QGHZPMMNVIXUPL-UHFFFAOYSA-N 263.301 0.781 0 50 CCAA Cc1c(CCC(=O)N2CCNC[C@](C)(F)C2)cnn1C 335503841 OVODTUXQLCYGDA-AWEZNQCLSA-N 282.363 0.821 0 50 CCAA C[C@@H](C(=O)NCCN1CCC[C@H](O)C1)n1ccnc1 43119839 SSSMBMSYVPSPKA-RYUDHWBXSA-N 266.345 0.017 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N1CCCC[C@H]1C(=O)O 426425239 LRXVBKZCSQXUCA-NSHDSACASA-N 292.339 0.930 0 50 CCAA C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)c1nnnn1C 1363040440 MAOJILYDOKRDDK-JFUSQASVSA-N 287.323 0.897 0 50 CCAA CCCC[C@H](CO)NC(=O)c1cc(=O)cc(C)[nH]1 426423125 UPVIODNHISKLSP-SNVBAGLBSA-N 252.314 0.964 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccn(C(C)C)n1 426442476 CLRGFJSNGSIPBJ-STQMWFEESA-N 280.372 0.913 0 50 CCAA CN(C)C1=N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C(=O)N1 98213236 ZNDPYMCCPVUIBW-UONOGXRCSA-N 286.379 0.925 0 50 CCAA COc1ccnc(Cn2ncc(N(C)C)cc2=O)c1 95361835 CFLLNYYEOVMPDF-UHFFFAOYSA-N 260.297 0.761 0 50 CCAA NC[C@H]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 178553465 PCGRGDWRFIJISK-SNVBAGLBSA-N 289.314 0.827 0 50 CCAA CCCc1cc(CNC(=O)CC[C@H]2NC(=O)NC2=O)on1 92078725 ZMSRCMHPFMACTO-SNVBAGLBSA-N 294.311 0.232 0 50 CCAA CCCN(C(=O)c1c[nH]c(=O)cc1C)[C@@H]1CCNC1 178929427 UIOWONHBHVRJHT-LLVKDONJSA-N 263.341 0.897 0 50 CCAA CC1(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCNCC1 97600960 OBJROKAUPOTHBC-ZDUSSCGKSA-N 289.379 0.589 0 50 CCAA COCCc1noc([C@@H]2CC(=O)N(C3CC3)C2)n1 96133115 DXXHLXCXKDWXOK-MRVPVSSYSA-N 251.286 0.737 0 50 CCAA Cn1c(COc2cccnc2)nnc1[C@H]1C[C@@H](N)C1 244796176 RUKFAXDTVXOLCZ-AOOOYVTPSA-N 259.313 0.994 0 50 CCAA Cn1ccnc1CCNC(=O)[C@H]1CC[C@@H](O)CC1 244742013 OAORLRRSCQZWDZ-PHIMTYICSA-N 251.330 0.630 0 50 CCAA CCCc1cnc(N2CCN3CCN(C)C[C@H]3C2)nc1 244619980 FJPIXTXOPCBAQX-AWEZNQCLSA-N 275.400 0.865 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)COC[C@@H]1CCCO1 299746751 ZOLIFQIKRHJBHN-VHSXEESVSA-N 257.286 0.258 0 50 CCAA CC(C)n1nccc1CN[C@H]1COC[C@H]1n1ccnn1 299745995 UPVFUHOOEQVCLR-QWHCGFSZSA-N 276.344 0.785 0 50 CCAA Cc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)nc(N)n1 534574457 JBKFTRDLFXPQNS-SKWLPYGWSA-N 273.340 0.190 0 50 CCAA CN(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)cn1 534584975 HYQFHVUIBJQGDK-KPWCQOOUSA-N 286.379 0.970 0 50 CCAA CN(CC(=O)NCCc1ccco1)C1CCNCC1 534653080 DPRNFZTXJAHZAB-UHFFFAOYSA-N 265.357 0.622 0 50 CCAA CC(C)N1CC[C@H](CN(C)CCn2cnnc2)C1 823690195 NAYZBSKWTZUKHJ-CYBMUJFWSA-N 251.378 0.940 0 50 CCAA CN(C)[C@@H]1C[C@H]2C(=O)N3Cc4ccccc4C[C@@H]3C(=O)N2C1 823727394 TWLRTELCFZQGOJ-KFWWJZLASA-N 299.374 0.485 0 50 CCAA COCCn1cnnc1CNC(=O)[C@@H]1CCCCCN1C 670469945 JHWXPBZDWXJKHZ-LBPRGKRZSA-N 295.387 0.415 0 50 CCAA N[C@@H]1CCN[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C1 757215654 WOHMZBZVPKGQFU-DOLQZWNJSA-N 251.296 0.996 0 50 CCAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1CCOCC1 239030628 CDHBARZVCPOXLR-WUHRBBMRSA-N 276.336 0.126 0 50 CCAA Cn1ccnc1C(=O)NCc1ccc2nc(O)[nH]c2c1 788533753 GFIWRQDUNVTNHQ-UHFFFAOYSA-N 271.280 0.932 0 50 CCAA O=C(N[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2)N1CCCNCC1 892428139 UBCYOYQVQLHKJH-OFTGVCEQSA-N 265.357 0.415 0 50 CCAA CO[C@]1(C)CCCN(C(=O)N2CCS(=O)(=O)CC2)C1 408334618 PTWWSVIBUSDJOL-GFCCVEGCSA-N 290.385 0.338 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(COCC(=O)N2)C1 95698550 CEELYFNIOBDZTC-GFCCVEGCSA-N 256.302 0.512 0 50 CCAA in-vitro C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(=O)NC1=O 210320723 JLVDUUZOMURIAK-JTQLQIEISA-N 287.319 0.906 0 50 CCAA O=S1(=O)CCc2nnc(Cc3ccsc3)n2CC1 630951886 PWQVRNYDGJWCKA-UHFFFAOYSA-N 283.378 0.901 0 50 CCAA CCC(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 276833072 YGBFYOHDIOUREW-LLVKDONJSA-N 264.329 0.853 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CNCCO2)[C@H](c2ccccc2)CO1 187898962 HPNMHUNNXMMLIU-VHDGCEQUSA-N 290.363 0.963 0 50 CCAA Cc1c(C(=O)O)cccc1S(=O)(=O)N1CC([C@@H](C)O)C1 719937833 ATVZYLIAHUENAM-SECBINFHSA-N 299.348 0.695 0 50 CCAA CC(C)Cn1ccnc1CNC(=O)[C@H]1C[C@H](F)CN1 188778836 NSXUSIMITPFXGS-WDEREUQCSA-N 268.336 0.855 0 50 CCAA Cc1nc(N2C[C@@H](C(N)=O)CC[C@@H]2C)c2cnn(C)c2n1 193713855 PTWLCUDVLWEGTP-WPRPVWTQSA-N 288.355 0.762 0 50 CCAA CCc1cc(CC(=O)N2C[C@@H]3CCC[C@]3(N)C2)n(C)n1 1615545041 FKWBUHCJTIUING-NHYWBVRUSA-N 276.384 0.865 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)NCC1(N)CCC1 1615616008 WRBNTQWHBZVZSW-INIZCTEOSA-N 289.379 0.793 0 50 CCAA OC[C@H]1CN(c2nccn3nc(C4CC4)cc23)C[C@@H]1CO 1615996858 HCVMYOMXNADLKY-VXGBXAGGSA-N 288.351 0.644 0 50 CCAA N=c1ccc(C(=O)N[C@H]2CCC[C@@H](C(=O)O)C2)c[nH]1 1875278141 CKFSEQDPNIJFHI-SCZZXKLOSA-N 263.297 0.867 0 50 CCAA O=C(C1CCC1)N1CCC(NCc2nn[nH]n2)CC1 1506430614 XTIJXDPEEHFRNM-UHFFFAOYSA-N 264.333 0.080 0 50 CCAA CN(C)S(=O)(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857701454 KYMRIHXQFSTGTP-UHFFFAOYSA-N 284.385 0.494 0 50 CCAA COc1cc(OC)nc(NCCN2CCCC[C@H]2CO)n1 1529185392 MGIGTRCUWFGFNA-NSHDSACASA-N 296.371 0.753 0 50 CCAA CC(=O)N1CCN(CCNC(=O)[C@H]2[C@@H](C)C2(F)F)CC1 408231687 OJQJEEYQWWKVFX-MWLCHTKSSA-N 289.326 0.168 0 50 CCAA COCC1(C(=O)N2CCCS(=O)(=O)CC2)CCC1 328798949 GTCSYKYLZBMPRI-UHFFFAOYSA-N 275.370 0.450 0 50 CCAA NC(=O)[C@]1(O)CCCN(Cc2ccc(F)cc2F)C1 225476812 JOXPHZWBEIVGTC-ZDUSSCGKSA-N 270.279 0.777 0 50 CCAA Cc1nc(N2CCC(c3n[nH]c(C)n3)CC2)n(C)n1 1704340343 GOBGFVRIZYAWHI-UHFFFAOYSA-N 261.333 0.934 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 375699758 XCAFOVFYTQCLSB-UMSGYPCISA-N 271.357 0.656 0 50 CCAA O=C(CN1C[C@H]2[C@@H](C1)C2(CO)CO)NCC1CCCCC1 1772807836 CCQWIESSVWJRML-OKILXGFUSA-N 296.411 0.216 0 50 CCAA O=C(C[C@@H]1CC1(F)F)N1C[C@H]2[C@H](C1)C2(CO)CO 1772703977 JHVPVSWYGXZLMT-VGMNWLOBSA-N 261.268 0.091 0 50 CCAA C/C=C/CCCC(=O)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772711244 GOEUYXOFSHDIPR-JGLYPNHGSA-N 253.342 0.792 0 50 CCAA CS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 16579025 VGTKFDWXSOAQLS-UHFFFAOYSA-N 290.366 0.499 0 50 CCAA O=C(c1ncc(F)cc1F)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857701065 LLPCXMMVBQLKJO-ZHAHWJHGSA-N 298.289 0.972 0 50 CCAA Cc1nc(CCCNC(=O)[C@H]2C[C@H](N)[C@@H](O)C2)sc1C 1857736407 NGTCOWKAFIGIIR-SRVKXCTJSA-N 297.424 0.907 0 50 CCAA CCC[C@]1(CO)CCN(CCn2cnnc2)C[C@H]1O 1875247331 SJKWCJMSFSIGRI-CHWSQXEVSA-N 268.361 0.124 0 50 CCAA C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O 4899574 QGJDXUIYIUGQGO-IUCAKERBSA-N 286.328 0.975 0 50 CCAA in-vitro COc1cccc(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3N2)c1 912301111 VHLQVJJJBUDDJW-KKUMJFAQSA-N 290.363 0.873 0 50 CCAA CNS(=O)(=O)[C@H]1CCN(Cc2c(F)cncc2F)C1 930068817 FWIUHVBVZXRCSF-QMMMGPOBSA-N 291.323 0.483 0 50 CCAA O=C(O)Cn1cnc(NC(=O)C[C@H]2CCCCO2)n1 843338607 HCJIIWJAHOOQCE-MRVPVSSYSA-N 268.273 0.260 0 50 CCAA N[C@@H]1CCCCCN(C[C@@H](O)Cn2cccn2)C1 864097250 QZNZPXZKJVYUSV-CHWSQXEVSA-N 252.362 0.447 0 50 CCAA CC[C@H](C(=O)N1CCS(=O)(=O)CCO1)n1cccn1 1875295627 LOJYOUWZUIMRBL-SNVBAGLBSA-N 287.341 0.023 0 50 CCAA CCn1cc(C(=O)N[C@H]2CCC[C@]2(C)C(=O)O)nn1 1875393895 PLDDPKQDOMNHML-CABZTGNLSA-N 266.301 0.671 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3COCCOC3)n[nH]c21 1875395086 KHEOIVNUWSUBJX-BDAKNGLRSA-N 295.339 0.577 0 50 CCAA Cc1ccnc(N2CCC[C@](O)(Cc3nncn3C)C2)n1 886065678 PAMVWAPTOPRCJI-AWEZNQCLSA-N 288.355 0.488 0 50 CCAA COCc1nc(OC)cc(N2[C@H]3CC[C@H]2CN(C)C3)n1 894877969 BQXAQWNUBZVLKG-QWRGUYRKSA-N 278.356 0.914 0 50 CCAA CCc1nnc(SC[C@@]2(C(=O)OC)CCCO2)n1N 1775993455 RDZPMPSVEUKFHU-LLVKDONJSA-N 286.357 0.369 0 50 CCAA CCNS(=O)(=O)c1cc(C)ccc1-n1cnnn1 1013278 VXJJZFYFGNFCNW-UHFFFAOYSA-N 267.314 0.269 0 50 CCAA Cn1nnc([C@H]2CN(C(=O)NC3CCCCC3)CCO2)n1 2356152200 STKNOWWGMADICO-LLVKDONJSA-N 294.359 0.626 0 50 CCAA NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 6703804 RJXMIRHGZMVRFL-UHFFFAOYSA-N 298.364 0.772 0 50 CCAA Cc1[nH]c(=O)[nH]c(=O)c1-c1ccc(S(C)(=O)=O)cc1 65394948 USQNNCXKNVLQFW-UHFFFAOYSA-N 280.305 0.442 0 50 CCAA O=C(NCCc1cnc[nH]1)c1cccc(-n2cnnn2)c1 20427152 GYZPSGAXZYEGPU-UHFFFAOYSA-N 283.295 0.358 0 50 CCAA O=C(CCN1C[C@H](C(=O)O)CC1=O)NC1CCCCC1 65502770 WVYUICAFGYFMPE-SNVBAGLBSA-N 282.340 0.759 0 50 CCAA CO[C@@H](C)CC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 328621078 AFNCBBHCQHKHDM-JSGCOSHPSA-N 284.400 0.981 0 50 CCAA O=C(Nc1ccn([C@H]2CCNC2)n1)[C@@H]1CCCOC1 328622486 IKMNAUDZGXIGLN-MNOVXSKESA-N 264.329 0.783 0 50 CCAA Cn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CCOC2)C1 328719296 QFCQPXAOYIVXCF-SMDDNHRTSA-N 278.356 0.936 0 50 CCAA COCc1nc(N2[C@H]3CC[C@@H]2CNC3)c2cnn(C)c2n1 72144017 LCWBZFDZOLIUCY-AOOOYVTPSA-N 288.355 0.450 0 50 CCAA Cc1c(C(=O)N[C@H]2CC[C@H]2N)sc2ncn(C)c(=O)c12 72149864 WWIFSVQUNDWBLV-SFYZADRCSA-N 292.364 0.523 0 50 CCAA O=C(NC[C@@H](O)c1ccccc1Cl)[C@H]1CNCCO1 151447894 DQXGSVPTYVVZMO-VXGBXAGGSA-N 284.743 0.478 0 50 CCAA O=C(NC[C@H]1CCCS1(=O)=O)c1cccnc1S 153239207 XQULGUCJEOWPBI-MRVPVSSYSA-N 286.378 0.677 0 50 CCAA Cn1nncc1CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 364451215 YPWZLQOBGPAMHL-HNNXBMFYSA-N 283.335 0.911 0 50 CCAA CCN1CC2(CCN(C[C@@H]3COCCO3)CC2)OC1=O 77522467 QAQJXLUTSXWANJ-GFCCVEGCSA-N 284.356 0.709 0 50 CCAA CO[C@@H]1CCCN(c2nc(N)c3cnn(C)c3n2)CC1 365538318 YACJOJVQHZUEEM-SECBINFHSA-N 276.344 0.951 0 50 CCAA O=C(NCCCn1ccnc1)c1ccn2nnnc2c1 214973835 DBQPPTPYRLXZPK-UHFFFAOYSA-N 271.284 0.141 0 50 CCAA O=C(O)C1(n2ccnc2)CCN(c2ncc(F)cn2)CC1 72473902 UQQUFAMFDSFYEL-UHFFFAOYSA-N 291.286 0.893 0 50 CCAA C[C@@H]1C[C@H](CN)CN1C(=O)c1cccc(OCC(N)=O)c1 261663474 GLHSZZIFRRMIRR-GHMZBOCLSA-N 291.351 0.360 0 50 CCAA C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1ccnn1 287326692 VTSQPRSKXDBRQC-NXEZZACHSA-N 265.317 0.683 0 50 CCAA CCOC[C@@H](O)CNC(=O)c1cc(C(C)C)nn1C 82147911 SQRKPWKOQUJVGV-JTQLQIEISA-N 269.345 0.671 0 50 CCAA CC(C)Cc1cc(CNC(=O)Cc2nc(O)n[nH]2)on1 426494537 RIRIHRPANFAIPA-UHFFFAOYSA-N 279.300 0.556 0 50 CCAA O=C1NCCN(C(=O)C2Cc3ccccc3C2)[C@H]1CCO 426371976 HGVJHURWOIGECP-AWEZNQCLSA-N 288.347 0.111 0 50 CCAA CCn1ccnc1[C@@H]1CCCN(CCC(N)=O)C1 91551441 BPTYJPHVQSHPFO-LLVKDONJSA-N 250.346 0.958 0 50 CCAA COCCN1CCN(CC(C)C)[C@H]2CS(=O)(=O)C[C@H]21 91595027 RWSUMQGESYPFCB-OLZOCXBDSA-N 290.429 0.072 0 50 CCAA Cc1[nH]nc(CN2CCN(C)[C@H](CO)C2)c1Cl 97551418 SJNZNOBXAVXBLV-VIFPVBQESA-N 258.753 0.480 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)c2cccc3c2OCO3)CCO1 299747058 BZWVNBRXQCFMJV-SECBINFHSA-N 293.275 0.731 0 50 CCAA CCO[C@H]1COC[C@@H]1Nc1nc(OC)cc(OC)n1 534639225 KMENXFSSJJUMSL-IUCAKERBSA-N 269.301 0.710 0 50 CCAA COCc1noc(CNS(=O)(=O)CC(C)C)n1 534644124 DWWFVRDUPMULHQ-UHFFFAOYSA-N 263.319 0.291 0 50 CCAA COCC1(CNC(=O)CNC(=O)N(C)C)CCCC1 534648010 VMIRKRIZAKLYOH-UHFFFAOYSA-N 271.361 0.581 0 50 CCAA COCCn1ccnc1CN1CC[C@@H]2CNC[C@@H]21 705260114 OSEJHTRAPDNVEJ-NEPJUHHUSA-N 250.346 0.323 0 50 CCAA CC(C)Cc1nc(CNS(=O)(=O)c2cn[nH]c2)no1 821487035 HBEFIVMGDUIYIO-UHFFFAOYSA-N 285.329 0.470 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)NCc1csc(N)n1 823412754 RFCJPIUDHGLGDN-SSDOTTSWSA-N 278.403 0.143 0 50 CCAA CC(C)c1nc(=NC(=O)COC[C@@H]2CCCO2)o[nH]1 584906958 GVFYIXVTBRWQQO-VIFPVBQESA-N 269.301 0.749 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)[C@@H](C)N1CCCC1 670454385 FDSXXICNXGAMNK-LLVKDONJSA-N 269.389 0.892 0 50 CCAA O=C(C1CCOCC1)N1CCN2C(=O)OC[C@@H]2C1 670436788 MVPWUOSAKXIFGV-JTQLQIEISA-N 254.286 0.076 0 50 CCAA Cc1nc2nc(CN(C)C[C@H]3CCCO3)cc(O)n2n1 670445318 KFEZDEZNNGTOLH-LLVKDONJSA-N 277.328 0.749 0 50 CCAA O=C(NOC[C@@H]1CCOC1)[C@@H]1OC[C@@H]2COCC[C@@H]21 1337233617 CAAKLLBKGNRJCC-NOOOWODRSA-N 271.313 0.122 0 50 CCAA COC[C@H]1CCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 239653962 BLXFIKLWEHCXBV-CHWSQXEVSA-N 290.429 0.769 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N2CCCCO2)C1=O 888076323 ZSBZRXSPCMEVNJ-LLVKDONJSA-N 270.329 0.568 0 50 CCAA O=C(Nc1cc[nH]n1)c1cc(N2CCOCC2)ncn1 630845515 BAPLJYHYSQHVFQ-UHFFFAOYSA-N 274.284 0.289 0 50 CCAA Cc1cccc(OCCNC(=O)Cn2c(=O)ncn2C)c1 278694168 JDDPWMGTKAHOEU-UHFFFAOYSA-N 290.323 0.085 0 50 CCAA COc1cc(C)sc1C(=O)OCc1nc(N)nc(N)n1 170626640 FDMAVGRELJQKAE-UHFFFAOYSA-N 295.324 0.772 0 50 CCAA CCc1ncc(S(=O)(=O)N2CC[C@@H](CN(C)C)C2)[nH]1 688587501 PZRHFKIWFBSMEP-JTQLQIEISA-N 286.401 0.544 0 50 CCAA O=C(c1csnn1)N(C[C@H]1CCCN1)C1CC1 190738689 PGHIKMDIIDTZBP-MRVPVSSYSA-N 252.343 0.895 0 50 CCAA Cc1cccn(CC(=O)N2C[C@@H](C)[C@H](CO)C2)c1=O 191836617 DOEUXHDLYKKIFO-NEPJUHHUSA-N 264.325 0.244 0 50 CCAA CCOCCN1C[C@H](OC)C[C@H]1c1nnc2cnccn12 583618930 IPKIGKXNEFVWRN-NEPJUHHUSA-N 291.355 0.923 0 50 CCAA CC(C)c1nccc(N2CC[C@](O)(Cn3ccnn3)C2)n1 794048963 FAWNMIYCRFCULH-CQSZACIVSA-N 288.355 0.833 0 50 CCAA CC(C)/C=C/C(=O)N1CC[C@H](N2CCC(O)CC2)[C@@H](O)C1 1615633188 JJVQEOATTXWIIB-WCYDHSITSA-N 296.411 0.617 0 50 CCAA Cc1cc(C)c(CNC(=O)N[C@H](C)c2nnnn2C)cn1 1615615037 NBRJURSFPDCRHK-SNVBAGLBSA-N 289.343 0.782 0 50 CCAA Cc1cc(N)n(CC(=O)NCc2snnc2C)n1 1506397707 YGMPEFOXLJKYTQ-UHFFFAOYSA-N 266.330 0.250 0 50 CCAA Cc1nc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cn1C 247555378 QPZKDULYRGKGDP-NSHDSACASA-N 284.385 0.197 0 50 CCAA CCn1nnn(Cc2ccc3nsnc3c2)c1=O 1875298727 LOKZGZKMSJOPLC-UHFFFAOYSA-N 262.298 0.513 0 50 CCAA C=CC(=O)N1CCC(C(=O)N(CC)CCC(=O)NC)CC1 1875366996 GGQHTAJEIXAOPW-UHFFFAOYSA-N 295.383 0.396 0 50 CCAA COC(=O)N1CC(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 252586744 SEEVVJKLNZWFEL-GMTAPVOTSA-N 254.330 0.840 0 50 CCAA CNC(=O)CCCC(=O)N1CCO[C@H](C2CC2)C1 376397942 KZELEVXWHJGTOO-NSHDSACASA-N 254.330 0.540 0 50 CCAA COCCNC(=O)CCNC(=O)c1cccc(OC)c1 16625300 GRRNFVXOOXSVKM-UHFFFAOYSA-N 280.324 0.578 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCCn1ccnc1 169295646 TZCJKWYHHDLAQP-WYUUTHIRSA-N 291.307 0.044 0 50 CCAA O[C@@H]1CN(c2nnc3ccccn23)C[C@H]1Cc1cnccn1 1857720776 JVIKMZZCVVGYGZ-DGCLKSJQSA-N 296.334 0.559 0 50 CCAA O=C1C[C@H]2N(Cc3cccc(O)c3)CC[C@]23OCCN13 1857727781 ZJKUDSNAUDNORV-HIFRSBDPSA-N 274.320 0.925 0 50 CCAA CC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 663016230 YVIKSFUHQMAFSR-LBPRGKRZSA-N 277.372 0.545 0 50 CCAA O=C(c1cc2n(n1)CCCO2)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 329900370 NSQIFUDIKNXRRU-FPQZTECRSA-N 289.335 0.915 0 50 CCAA O=C(NOCCN1CCCC1=O)[C@@H]1CCCc2ccnn21 1875285387 LXZYGXRMTUKZSM-LBPRGKRZSA-N 292.339 0.431 0 50 CCAA O=C(O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1875271210 CBWIQVNZKFJGJM-BBBLOLIVSA-N 292.339 0.669 0 50 CCAA Cc1ncc(CN2CC[C@@H](N3C[C@@H](C(=O)O)CC3=O)C2)[nH]1 1875354167 BVZVIXLIGGNBNS-CMPLNLGQSA-N 292.339 0.226 0 50 CCAA C=CC(=O)NC1(CNC(=O)OC(C)(C)C)COC1 1875369917 PVPAQXQHQHXRMI-UHFFFAOYSA-N 256.302 0.582 0 50 CCAA O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1[C@@H]1C[C@@H]2CC[C@H]1O2 1875343384 ZPLXXRRSRFGBQM-MEPLYZCMSA-N 263.293 0.469 0 50 CCAA Cc1ccnc(N2CCN([C@@]3(C(=O)O)CCOC3)CC2)n1 886094959 IUCJTUNZRZCUHH-AWEZNQCLSA-N 292.339 0.151 0 50 CCAA CCn1nncc1CNC(=O)N=c1cc[nH]cc1N(C)C 888100289 KDHAIDBHNKIOIO-UHFFFAOYSA-N 289.343 0.503 0 50 CCAA OC[C@@H]1[C@H]2CN(c3ccc4nnc(C(F)F)n4n3)C[C@H]21 1776002560 SGRPZXAOWRLKDE-JIGDXULJSA-N 281.266 0.736 0 50 CCAA Cc1nc(CNC(=O)c2c(Cl)c(C)nn2C)n[nH]1 426490493 ZCGKGTUKEWJAJH-UHFFFAOYSA-N 268.708 0.738 0 50 CCAA O=C1NCCN1CCNc1nccc(C(F)(F)F)n1 91849060 PQLNPIHWVAWDPN-UHFFFAOYSA-N 275.234 0.933 0 50 CCAA Cc1nnc(CN[C@H]2CC(=O)N(CC3CC3)C2)s1 716815356 RLRAWNRXWILRFH-JTQLQIEISA-N 266.370 0.947 0 50 CCAA Cc1nn(C[C@@H](O)CO)c2[nH]c3ccccc3c(=O)c12 408132 TXCKXHMVJXTXTK-SECBINFHSA-N 273.292 0.539 0 50 CCAA O=C(c1ccc2nccn2c1)N1C[C@H]2COC[C@@]2(CO)C1 2356151478 KGHJIYPDFIVOSI-WFASDCNBSA-N 287.319 0.415 0 50 CCAA O=C(Nc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 4064209 YPZANXMTGWZCDC-SNVBAGLBSA-N 254.311 0.995 0 50 CCAA CCOC(=O)[C@@H](C)CNC(=O)C[C@H]1CSCCN1 132966884 WNCTWTYSFFDMCC-UWVGGRQHSA-N 274.386 0.397 0 50 CCAA O=C(N[C@H]1CCCSC1)c1cn(C(F)(F)CO)nn1 1363343078 BMZVEMBTWFEECG-ZETCQYMHSA-N 292.311 0.445 0 50 CCAA COC[C@H](C)C(=O)N1CCO[C@@H](CN(C)CC2CC2)C1 328628211 GZKDBZNRZGXHIM-JSGCOSHPSA-N 284.400 0.838 0 50 CCAA O[C@@H]1COCCN(Cc2cccc(N3CCOCC3)c2)C1 77472480 QNLHINNWNNEPJZ-INIZCTEOSA-N 292.379 0.716 0 50 CCAA COC(=O)[C@@H]1CC12CCN(CCN1CCO[C@@H](C)C1)CC2 253396807 HJNVXLDARLTBCP-KBPBESRZSA-N 296.411 0.982 0 50 CCAA CCc1ncnc(N2C[C@@H](C)O[C@@H](C(=O)OC)C2)c1F 253398441 VTPNWDHXHBEBBJ-PSASIEDQSA-N 283.303 0.945 0 50 CCAA CO[C@H](C)c1nsc(N2CCCNC(=O)[C@H]2C)n1 374583457 ICXPZNHKFBVLTO-HTQZYQBOSA-N 270.358 0.960 0 50 CCAA O[C@@H]1CCCN(C2CCN(Cc3ncc[nH]3)CC2)C1 72432998 PDWUAUGBHSAMGE-CYBMUJFWSA-N 264.373 0.831 0 50 CCAA NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(F)cc1 219076100 VICBCEJOAASVNI-NEPJUHHUSA-N 296.298 0.215 0 50 CCAA O=C(COCc1ccccc1)N[C@@H]1C=CS(=O)(=O)C1 71759467 BWXWPQGTFAPUID-GFCCVEGCSA-N 281.333 0.630 0 50 CCAA CC[C@H](C)N1CCN(C(=O)CC[C@@H]2CCC(=O)N2)CC1 333961550 LZTMXUFFINNMIG-STQMWFEESA-N 281.400 0.988 0 50 CCAA CN(C)[C@H]1CCCCN(C(=O)CCN2CCCC2=O)C1 82114758 SCWQDRBXNQVTDD-ZDUSSCGKSA-N 281.400 0.942 0 50 CCAA CCNC(=O)C[C@@H]1CCCCN1Cc1nccc(N)n1 284995691 YPHVOTUDHAIFAE-NSHDSACASA-N 277.372 0.940 0 50 CCAA Cc1cc(C)n(C2CN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)n1 426615191 REEZACGVQOCSFN-NSHDSACASA-N 297.380 0.318 0 50 CCAA O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cnc[nH]1 221429687 VMAUDJBYDJZAEZ-JTQLQIEISA-N 265.313 0.868 0 50 CCAA Cc1cc(C)n(CCC(=O)N2CCCOCC2)c(=O)n1 97288841 LUMDNRBOXGAFMH-UHFFFAOYSA-N 279.340 0.499 0 50 CCAA CCc1nc(C)sc1C(=O)N1CC[C@@](C)(O)[C@@H](O)C1 96163583 XCUBKDAVNVBYKU-GXFFZTMASA-N 284.381 0.972 0 50 CCAA C[C@H](NC(=O)N1CCOCC(F)(F)C1)c1ncnn1C 291711456 YZBRDLFBNWDMJV-QMMMGPOBSA-N 289.286 0.553 0 50 CCAA NC[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 237960833 ZAGODEGKAWKJMP-LJLILKBBSA-N 273.336 0.748 0 50 CCAA CCn1cc(NC(=O)N[C@H](C)Cc2cnccn2)nn1 96132444 RPDZFVVXWIQOSC-SECBINFHSA-N 275.316 0.841 0 50 CCAA CCC1=NO[C@H](CN2CCc3n[nH]c(C(=O)NC)c3C2)C1 244773949 PJGQFWIQWFDMAH-JTQLQIEISA-N 291.355 0.682 0 50 CCAA CCc1nnc(CNC(=O)[C@H](C)Cn2cncn2)s1 240499939 NPGKFLRNTVDRKH-MRVPVSSYSA-N 280.357 0.645 0 50 CCAA CCOC(=O)COCCNC(=O)c1ccnc2[nH]cnc12 296758967 CNDSJKWIRPAWHL-UHFFFAOYSA-N 292.295 0.267 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CCc1ccoc1 299744237 OCAUIISAMVMSPC-ZJUUUORDSA-N 254.261 0.637 0 50 CCAA O=C(CCc1cn[nH]c1)N1CCN(C2CCOCC2)CC1 629967950 UARMPESZABJFCN-UHFFFAOYSA-N 292.383 0.666 0 50 CCAA Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCCNC1=O 299766290 ICNLBJPVLBATRA-SNVBAGLBSA-N 290.323 0.494 0 50 CCAA Cn1nc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)ccc1=O 299796142 LSPDAAZXBMIVQT-UHFFFAOYSA-N 289.339 0.731 0 50 CCAA C[C@@H](CN1CCCCC1)NCCc1nnc(O)n1C 821260167 QYJZRAOEWPQGFO-NSHDSACASA-N 267.377 0.527 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NCc1cnc2cnccn12 584903670 PPTKIESULITFGG-UHFFFAOYSA-N 284.323 0.928 0 50 CCAA CN1C[C@H](n2cnc3ccncc3c2=O)CCC1=O 584898816 HZBNYJQJGKXCKH-SECBINFHSA-N 258.281 0.585 0 50 CCAA C[C@H](CN(C)C(=O)Cn1nnc2c1CCCC2)C(=O)O 585134729 HWTNKMXXNSPIRD-SECBINFHSA-N 280.328 0.336 0 50 CCAA CCOC(=O)N1CCC(NCCc2noc(CO)n2)CC1 670462259 BBFBJEPKKITBRQ-UHFFFAOYSA-N 298.343 0.315 0 50 CCAA CC(C)(C)OC(=O)N1CC(O)([C@H](N)c2cncnc2)C1 958528953 ZRJBKHJYZGXBGV-SNVBAGLBSA-N 280.328 0.458 0 50 CCAA C[C@H]1CC[C@@H](C)N1CC(=O)NCC1(O)CCOCC1 408281754 WMKJOVHJYRMBCT-TXEJJXNPSA-N 270.373 0.517 0 50 CCAA O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccccc1 547882791 PJVADEBPQFEUQG-JQWIXIFHSA-N 299.348 0.845 0 50 CCAA C[C@H]1CCCCCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 631969891 GOUXHASEUDJJGZ-STQMWFEESA-N 290.429 0.911 0 50 CCAA O=C(CCc1ccncc1)N=c1ccn([C@@H]2CCNC2)[nH]1 548672883 HGXIAAZQWOATIN-CYBMUJFWSA-N 285.351 0.806 0 50 CCAA C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NN1CC(=O)NC1=O 170629325 UBWPVGVKAWBTLC-KXUCPTDWSA-N 283.328 0.553 0 50 CCAA C[C@H]1CN2CCCC[C@H]2CN1C(=O)CCc1cn(C)nn1 668867098 WJSWUTHHICSAPB-JSGCOSHPSA-N 291.399 0.833 0 50 CCAA O=C(O)CCN(Cc1ccccc1)C(=O)[C@@H]1COCCO1 675946508 HOGKUSXIMRFABS-ZDUSSCGKSA-N 293.319 0.905 0 50 CCAA O=C(N1CC[C@@](O)(c2cnn[nH]2)C1)C1(c2ccccc2)CC1 583618776 HUDLANTXUVKQGR-INIZCTEOSA-N 298.346 0.956 0 50 CCAA CN1CC(=O)N(CCN2CC[C@H](C(C)(C)C)[C@H](O)C2)C1=O 585094377 UEJFHHZDQYQAMX-NWDGAFQWSA-N 297.399 0.609 0 50 CCAA CCn1[nH]nnc1=NC(=O)N[C@H]1CC12CCCCC2 585119783 UGLFWRTZWVIKMH-VIFPVBQESA-N 264.333 0.959 0 50 CCAA CCN1CCN(C(=O)N[C@@H]2CC[C@@H]2COC)CC1=O 1615044689 QKNKHEBJKSLNME-GHMZBOCLSA-N 269.345 0.285 0 50 CCAA CN[C@@H]1CCN(Cc2cc(=O)n3c(C)cccc3n2)C1 1615046071 UIBSAELJCKWJFD-GFCCVEGCSA-N 272.352 0.797 0 50 CCAA CN(CC(=O)O)S(=O)(=O)c1cc(C(=O)O)oc1Cl 1616039824 WMSWGKQUFIZWKO-UHFFFAOYSA-N 297.672 0.336 0 50 CCAA CCN(CCO)C(=O)c1c2c(nn1C)[C@H](C)O[C@H](C)C2 1857527245 UHZBQJTVCPWRCN-ZJUUUORDSA-N 281.356 0.897 0 50 CCAA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccco1 464898 YNZYXYDGWXNFCH-TWGQIWQCSA-N 280.305 0.852 0 50 CCAA CCn1cncc1S(=O)(=O)N1CCC[C@@H]1CO 408432948 QWEXMJYUMKAKEI-SECBINFHSA-N 259.331 0.048 0 50 CCAA O=C(CCO)N[C@@H]1COC[C@H]1Cc1ccncc1 1704326615 JOPATUSVQLXHQB-VXGBXAGGSA-N 250.298 0.138 0 50 CCAA O=C1CCCN1[C@H]1CCN(S(=O)(=O)CC2CCC2)C1 330153547 OERDKJLBNJQDDB-LBPRGKRZSA-N 286.397 0.813 0 50 CCAA CN(C)S(=O)(=O)c1cccc(N2C(=O)CCC2=O)c1 5016754 VKAMOAUMVIJFKE-UHFFFAOYSA-N 282.321 0.590 0 50 CCAA Cc1nc(-c2cn3c(n2)CCNCC3)n(-c2ccncc2)n1 1857720941 RFUMFDBBXJZJER-UHFFFAOYSA-N 295.350 0.980 0 50 CCAA CON1CCC(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 631753202 GWPLSJXKNMZTPF-KBPBESRZSA-N 298.383 0.666 0 50 CCAA CNC(=O)c1cccc(CN2CCCS(=O)(=O)CC2)c1 332211102 GOBMKCIZZLSZJH-UHFFFAOYSA-N 296.392 0.667 0 50 CCAA O=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)c1ccccc1 19014718 AUDPUFBIVWMAED-NSHDSACASA-N 259.265 0.835 0 50 CCAA in-vitro COc1cc(C(=O)NCC2(CF)CCOCC2)ncn1 821437469 UNJFSRIERNVTHH-UHFFFAOYSA-N 283.303 0.981 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CCOC[C@@H]2C2CC2)n1 824707275 GLUXWWQWFBHHLU-CYBMUJFWSA-N 293.371 0.927 0 50 CCAA O=C(Cn1nc2n(c1=O)CCCCC2)NOCC1CC1 1261248658 PPQGLULZFOWLEK-UHFFFAOYSA-N 280.328 0.229 0 50 CCAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)C1CC1 858008143 KPHFUIGMDPIGJQ-CMPLNLGQSA-N 299.396 0.970 0 50 CCAA CCc1cc(N2CC(O)(c3ccnn3C)C2)ncn1 952881976 FQVATOBFBFLHQR-UHFFFAOYSA-N 259.313 0.480 0 50 CCAA O=C(N=c1[nH]nc(C2CC2)s1)N1CC[C@@H]2C[C@]2(O)C1 1875277986 RYOLBWDYYHCHEL-PELKAZGASA-N 280.353 0.826 0 50 CCAA CNC(=O)[C@@H]1CCN(CC(=O)NC2CCCCCC2)C1 331590521 SNQIDAMWTQKLCH-GFCCVEGCSA-N 281.400 0.893 0 50 CCAA CCCc1cc(CNC(=O)[C@H]2CNCCO2)on1 534640044 FKEHTNLCWPONFN-LLVKDONJSA-N 253.302 0.232 0 50 CCAA NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 2522657 QCZYYEFXOBKCNQ-STQMWFEESA-N 293.367 0.255 0 50 CCAA endogenous,in-man COCc1cc(N2C[C@H]3COC[C@@]3(COC)C2)ncn1 2356161330 QBDWPPXHGCWCCZ-FZMZJTMJSA-N 279.340 0.722 0 50 CCAA C[C@@H](O)CNC(=O)C(=O)N[C@H](C)c1ccccc1 2993725 WZGQTPFRKYIKJX-NXEZZACHSA-N 250.298 0.361 0 50 CCAA Cc1nc(N(C)C)nc(N(CCO)[C@H]2CCO[C@@H]2C)n1 225463670 UFAFFYOQHVFBHQ-KOLCDFICSA-N 281.360 0.222 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C[C@@H](C)c1ccccc1 67688676 YOCHAOOKESJILG-XBFCOCLRSA-N 289.379 0.854 0 50 CCAA C[C@H]1OCCN(CCOc2ccc(F)cc2)[C@@H]1C(N)=O 346478931 KTXLRLVYCRUIML-MFKMUULPSA-N 282.315 0.779 0 50 CCAA Cn1cnc(C(=O)Nc2cnn(Cc3ccncc3)c2)n1 353737867 NINXKZQZQHWDGN-UHFFFAOYSA-N 283.295 0.707 0 50 CCAA NC(=O)c1cccc(S(=O)(=O)Nc2cccnc2)c1 33359645 IRUJVFOKNLQEHY-UHFFFAOYSA-N 277.305 0.981 0 50 CCAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1cc(C(N)=O)cn1C 122224139 RGVQFWUDCFEBDF-MWLCHTKSSA-N 278.356 0.466 0 50 CCAA O=C(NC1(c2nn[nH]n2)CC1)[C@H]1OCCc2ccccc21 357071715 FSKXQHONMAOSSP-NSHDSACASA-N 285.307 0.619 0 50 CCAA CCCCO[C@@H](C)C(=O)N1CCO[C@H](c2nncn2C)C1 328624366 JUKAPQXLRLCXHO-RYUDHWBXSA-N 296.371 0.920 0 50 CCAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCOC[C@@H]2C(=O)O)n1 262412100 BKJKUNKIRRCQRR-NWDGAFQWSA-N 295.339 0.763 0 50 CCAA NC(=O)NCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 217177425 AUYPFSXQBLNLCM-UHFFFAOYSA-N 281.703 0.501 0 50 CCAA CCN1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 72431800 ZQCUGGWRDQGKKN-ZDUSSCGKSA-N 293.415 0.847 0 50 CCAA N=c1cc(CN2CCC[C@H](N3CCNC3=O)C2)cc[nH]1 365835301 DWMZITNHNKKXIL-LBPRGKRZSA-N 275.356 0.484 0 50 CCAA COc1cccc(CN2CCNC[C@H]2CCO)c1 38534607 WXPIBLWJZLELED-CYBMUJFWSA-N 250.342 0.851 0 50 CCAA CC(=O)NC[C@H]1CCCN(S(=O)(=O)C2CC2)C1 331490995 YIVBEOYXNUNXGR-SNVBAGLBSA-N 260.359 0.327 0 50 CCAA O=C(NCC1(Cn2ccnc2)CC1)c1cccc(=O)[nH]1 219371422 JHNMEHJOMFKWGO-UHFFFAOYSA-N 272.308 0.782 0 50 CCAA COc1ccc2[nH]nc(CN3CC[C@H](CO)[C@H](O)C3)c2c1 72154712 CODRLXHBDKWDSU-MEBBXXQBSA-N 291.351 0.747 0 50 CCAA CC(C)CN1CC[C@H](C(=O)N(CCN(C)C)CC(=O)O)C1 236770309 UQXXAKCYMVMOEI-ZDUSSCGKSA-N 299.415 0.439 0 50 CCAA O=C(c1ncncc1Cl)N1CC(F)(F)C[C@H]1CO 372549321 YUKLXXKZWQMYIT-LURJTMIESA-N 277.658 0.972 0 50 CCAA CSCC(=O)N[C@@H]1COCC[C@@H]1OCCN(C)C 219440560 RJSKPXQRNLDIPM-MNOVXSKESA-N 276.402 0.201 0 50 CCAA O[C@@H](CN1CC[C@H](O)C12CCCC2)Cn1cccn1 333465644 QJIQIFNTUUUSFF-STQMWFEESA-N 265.357 0.623 0 50 CCAA C[C@@H](C(=O)O)N(C)C(=O)c1cc(C2CC2)n(C)n1 262733088 CLGWEPGKVPUUSK-ZETCQYMHSA-N 251.286 0.843 0 50 CCAA CNC(=O)[C@H]1CCCCN1Cc1cnc(COC)nc1 215389913 BVXXWCKOHVDSPO-GFCCVEGCSA-N 278.356 0.724 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)CCCn1ccnc1 222740053 HSSROQRPJGLKIB-VXGBXAGGSA-N 267.329 0.583 0 50 CCAA NC(=O)[C@]1(O)CCCN(c2ccc(Cl)cn2)C1 284466659 AYJUCNMCBJVQOR-NSHDSACASA-N 255.705 0.552 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(C)nc1O 284470510 BAZIAWOXYQUGAO-QWRGUYRKSA-N 280.324 0.972 0 50 CCAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@@H]2CC=CCC2)n1 223848700 ZHPWQIGGEMBCSD-LLVKDONJSA-N 276.340 0.963 0 50 CCAA O=C(Cn1cnnc1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 223183847 JFDXCOKJHBCQPH-ATGSNQNLSA-N 290.367 0.988 0 50 CCAA CNC(=O)Cc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 95518810 AUKZHDDHXOERKA-UHFFFAOYSA-N 285.303 0.542 0 50 CCAA O=C([C@@H]1CCCN1C(=O)Cn1ccnn1)N1CCCCC1 426419757 LBCLCPDZIREMNC-LBPRGKRZSA-N 291.355 0.282 0 50 CCAA COc1cccc(CCC(=O)N2CC[C@@H](N)[C@H](O)C2)c1 426548640 XVYOLJXRHDUBLD-ZIAGYGMSSA-N 278.352 0.548 0 50 CCAA OCc1cccc(C[C@H]2CCN(C(CO)CO)C2)c1 91933551 POWJJNHCXJJLGN-CYBMUJFWSA-N 265.353 0.397 0 50 CCAA COCCN1CC[C@@H](c2nc3c([nH]2)CCCNC3=O)C1 95383223 WSSLMTXRAOEMII-SNVBAGLBSA-N 278.356 0.521 0 50 CCAA Cn1ccnc1CN(Cc1nc(C(N)=O)no1)C1CC1 244816800 SOQFKMNNIUCHBQ-UHFFFAOYSA-N 276.300 0.067 0 50 CCAA CN(CCc1ccccn1)C(=O)CCS(C)(=O)=O 342856597 FLMJYIOHRFBVKV-UHFFFAOYSA-N 270.354 0.517 0 50 CCAA O=C(Nc1[nH]nnc1C(=O)N1CCCC1)c1ccoc1 294161001 BEEPHDNRFYDUNO-UHFFFAOYSA-N 275.268 0.886 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccn(C)c1C 534632477 BIEOIXWWZGTORD-RYUDHWBXSA-N 252.314 0.867 0 50 CCAA CC(C)N1C[C@H](C(=O)Nc2ccn(CC(=O)O)n2)CC1=O 299752373 TXZSCLDLROTHAC-SECBINFHSA-N 294.311 0.163 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)NCc1cccc(CO)c1 534581107 VZMJJOFCDGQVLQ-LLVKDONJSA-N 286.397 0.596 0 50 CCAA Cc1nonc1CNC1CCN(C(=O)[C@@H]2CCCO2)CC1 584901507 AAOVIVYPVIAMRM-ZDUSSCGKSA-N 294.355 0.638 0 50 CCAA COc1ccc(Cl)cc1C(=O)NC[C@@]1(O)CCNC1 243914734 BKDIDMJFSKLFRO-CYBMUJFWSA-N 284.743 0.803 0 50 CCAA CN(C)c1cccc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)c1 1565525211 HLVJKYWMGFPACJ-HIFRSBDPSA-N 278.352 0.710 0 50 CCAA C[C@@H]1CCNC(=O)[C@H]1NC(=O)NC[C@@H]1CC1(C)C 408427087 ZEAKWJUOLPOYMR-UTLUCORTSA-N 253.346 0.856 0 50 CCAA CCCc1nccn1CC(=O)NCC(=O)N1CCCC1 269377339 RCVJRXHIHRVOBJ-UHFFFAOYSA-N 278.356 0.574 0 50 CCAA Cc1ccsc1CCNC(=O)[C@@H]1CNCCO1 97425505 YZPWGIQGRUHTPE-JTQLQIEISA-N 254.355 0.704 0 50 CCAA CCCc1noc(CN2CC[C@@](O)(Cn3ccnn3)C2)n1 671552506 OHEWHDUEPXFUSB-ZDUSSCGKSA-N 292.343 0.251 0 50 CCAA Nc1ncc(Cl)cc1S(=O)(=O)N[C@H]1CCCNC1 193350854 HBFDLXVUKJFDJR-QMMMGPOBSA-N 290.776 0.348 0 50 CCAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc2nc[nH]c2c1 684412903 DNJLPTSAKBFRSI-ZWNOBZJWSA-N 288.307 0.483 0 50 CCAA C[C@H](NC(=O)c1ccc2c(n1)OCCO2)C(=O)O 655533551 FOLBLPLIKXJTKM-LURJTMIESA-N 252.226 0.056 0 50 CCAA O=C(NC[C@@H]1CCC[C@H]1O)c1cnnn1C1CCNCC1 662527029 IUJJBNVCZIJFLM-GXFFZTMASA-N 293.371 0.093 0 50 CCAA COCCCCN1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857683734 ZWMFERXVGJIXFO-GXTWGEPZSA-N 270.373 0.376 0 50 CCAA Cc1cnnc(N2CCc3c(c(C(N)=O)nn3C)C2)c1C 1857680358 HNLZWEYRPSSHGE-UHFFFAOYSA-N 286.339 0.489 0 50 CCAA CC(C)[C@H]1CN2C[C@@H](NC(=O)c3cc[nH]n3)C[C@H]2CO1 1857720774 JTYWTLJULATJEM-GMXVVIOVSA-N 278.356 0.637 0 50 CCAA Cc1cncc(CN2CC[C@@](O)(Cn3ccnn3)C2)c1 671551563 FSBSOTPGYCSJDR-AWEZNQCLSA-N 273.340 0.619 0 50 CCAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccon3)CCN12 1875244401 IRPCPISFVDKGHY-NWDGAFQWSA-N 279.340 1.000 0 50 CCAA COC(=O)[C@](C)(O)CN1CCC[C@H](C(=O)NCC2CC2)C1 225410477 RGLVOMJWKATBCK-SWLSCSKDSA-N 298.383 0.149 0 50 CCAA CC(=O)Nc1ccc(OC[C@H](O)CN2CCOCC2)cc1 20029109 URLVPNGRTJVDCA-CQSZACIVSA-N 294.351 0.717 0 50 CCAA CN(CCN1CCOCC1)C(=O)N[C@H]1CCOC(C)(C)C1 161529354 CYVFAOQRGDYTGL-ZDUSSCGKSA-N 299.415 0.918 0 50 CCAA CC(C)c1nccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)n1 1704328560 LRLXHSSLQYVDPW-YPMHNXCESA-N 290.367 0.547 0 50 CCAA CC(C)NS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 907224741 LYAVYGHDNUSIQH-GWOFURMSSA-N 258.343 0.114 0 50 CCAA CNC(=O)c1n[nH]c(C2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)n1 818477615 FZFHSUVQLYNGPH-WPRPVWTQSA-N 291.355 0.526 0 50 CCAA CC1(C)CN(C[C@H](O)C2(O)CCCC2)[C@@H]2COC[C@H]2O1 930868783 XWJLKYQSYHOSCR-UPJWGTAASA-N 285.384 0.531 0 50 CCAA Cc1cc(CN2CCCC[C@H]2CS(N)(=O)=O)on1 931224995 DNVPFBURLNWTJH-JTQLQIEISA-N 273.358 0.626 0 50 CCAA COCCS(=O)(=O)NC(=O)C[C@@H]1OCc2ccccc21 847645922 YHPYDXOSFVKNBL-LBPRGKRZSA-N 299.348 0.740 0 50 CCAA CS(C)(=O)=NCCNC(=O)[C@H]1CSCCS1 952874674 RCVZTMAOJVFFNU-MRVPVSSYSA-N 282.456 0.679 0 50 CCAA C[C@H]1CCN(C(=O)N=c2cc3n([nH]2)CCN(C)C3=O)C1 1875296901 UJQZJJNBMRSDBI-VIFPVBQESA-N 277.328 0.264 0 50 CCAA C[C@]1(C(=O)N=c2[nH][nH]cc2Cl)CCC(=O)NC1 1875295645 MSBMWCVUGKNALI-JTQLQIEISA-N 256.693 0.340 0 50 CCAA O=C(NCc1cc[nH]n1)C1CC2(C1)[C@H](C(=O)O)C2(F)F 1875396867 UUXBBTYCTFVXMS-WINXVSCGSA-N 285.250 0.772 0 50 CCAA O=C(Cc1ccoc1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875401021 QPMYDHLOILIQGD-MGPQQGTHSA-N 289.335 0.975 0 50 CCAA CC(C)n1ccc(C(=O)N2CCO[C@H](CC(=O)O)C2)n1 262437081 MDPZWFRWWPCYBF-SNVBAGLBSA-N 281.312 0.780 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)c2cc(C)[nH]n2)C1 630249465 MYPKSRRMSHQCAJ-NSHDSACASA-N 253.258 0.034 0 50 CCAA CCN1CCN(CCn2cc(Cl)cn2)C(=O)C1=O 95500784 QIHBZYGLCGYVPB-UHFFFAOYSA-N 270.720 0.227 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1c(C)cnn1C 701329620 LSUPNUDSDRLPDV-ZDUSSCGKSA-N 267.329 0.794 0 50 CCAA C[C@@]1(O)CCCN(c2ncccc2S(N)(=O)=O)CC1 366504989 NALWVVIWVBGSSB-GFCCVEGCSA-N 285.369 0.470 0 50 CCAA O=C1NCCN1CCN1CCC([C@@H]2CCCO2)CC1 367988751 MTAOZNSAYDKLJI-ZDUSSCGKSA-N 267.373 0.903 0 50 CCAA C[C@@H]1COCCN(S(=O)(=O)c2ncn(C)c2Cl)C1 378264235 XAQFGIJTOQTCEB-QMMMGPOBSA-N 293.776 0.731 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)CCn1cccn1)C2 2100473174 CUUKBSHRGIZNQV-JSGCOSHPSA-N 279.340 0.395 0 50 CCAA Cn1cc([C@@H]2C[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H]3C(=O)O)cn1 2325769508 LPPXOTISHMGBCF-SJHCENCUSA-N 289.335 0.988 0 50 CCAA Cc1ncc(/C=C/C(=O)NC[C@@H]2CO[C@H](CN)C2)s1 2325786566 XZANHJUAQMKRFF-NTYHVHHESA-N 281.381 0.945 0 50 CCAA CCc1ccc(C(=O)N2CCN(C(=O)CN)CC2)c(O)c1 2325799098 UQJLWVFFHZZYDW-UHFFFAOYSA-N 291.351 0.198 0 50 CCAA Nc1ccccc1NC1=C([N+](=O)[O-])CS(=O)(=O)C1 298150 JKXWYLQEBGDHAY-UHFFFAOYSA-N 269.282 0.597 0 50 CCAA Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1F 619901 LVRLEENMOVOIHS-UHFFFAOYSA-N 261.274 0.887 0 50 CCAA CCOC(=O)CC(=O)CSc1nnc(N)s1 2153790 QHXBJZJIOTXAGE-UHFFFAOYSA-N 261.328 0.735 0 50 CCAA O=C1N(CCO)CCC[C@]12CCCN2Cc1ncc[nH]1 2356157371 HVGRUIWSDNPXLT-AWEZNQCLSA-N 278.356 0.359 0 50 CCAA CCc1c(C)nc(N)nc1N1N=C1SCC(N)=O 2869384 CJULCPHPHNMESJ-UHFFFAOYSA-N 266.330 0.239 0 50 CCAA CN(Cc1nc2ccccc2s1)C(=O)Cn1cnnn1 61071416 BDBJSGTXJCUGJE-UHFFFAOYSA-N 288.336 0.941 0 50 CCAA CC(C)(C)n1nnc(CS(=O)(=O)c2cccnc2)n1 1364312104 OHKZVJRNXKTLBT-UHFFFAOYSA-N 281.341 0.797 0 50 CCAA C[C@@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(=O)O 262427731 IDDZFGPSVREDSX-SNVBAGLBSA-N 297.355 0.504 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](c2nc(C)n[nH]2)C1 229823199 IHDUUZNRZYQEKO-GMTAPVOTSA-N 280.328 0.438 0 50 CCAA O=S1(=O)CC[C@H](Nc2ncnc3ccncc23)C1 328660473 VLFCLGCTDSYMFJ-QMMMGPOBSA-N 264.310 0.624 0 50 CCAA O=S1(=O)CCN(c2ccc3cc[nH]c3n2)CC1 72162303 BCVLGWQJWOLHLW-UHFFFAOYSA-N 251.311 0.798 0 50 CCAA C[C@H](NC(=O)C1CCNCC1)C(=O)OC(C)(C)C 35287377 FGSSWBLFUDYTSE-VIFPVBQESA-N 256.346 0.832 0 50 CCAA CO[C@H]1CN(C(=O)C2(O)Cc3ccccc3C2)C[C@H]1OC 365218315 ZDMXWQCHAQQJRV-OKILXGFUSA-N 291.347 0.389 0 50 CCAA OC[C@H](O)CN1CCCC12CCN(c1ncccn1)CC2 72406965 QBYUNOVTKVDFHS-CYBMUJFWSA-N 292.383 0.265 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@H]1CCCCN1CCO 493815713 GGEIHYIASINTPH-VUDGCMKMSA-N 269.389 0.067 0 50 CCAA O=C(c1cccc(-n2cnnn2)c1)N1CC([C@H]2CCOC2)C1 377414033 UUMORIGDXKENQL-LBPRGKRZSA-N 299.334 0.771 0 50 CCAA C[C@@H]1C[C@H](N)CCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 237403827 YSLSNWUYAIQALY-GMTAPVOTSA-N 291.355 0.101 0 50 CCAA CC1(C)OC[C@H]2OC(=O)[C@@]3(C)OC(C)(C)O[C@H]3[C@H]2O1 43763365 ZCEDGAXUDRGLEV-LWIGBJQBSA-N 272.297 0.974 0 50 CCAA COc1ccc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)c(F)c1 284690065 WMWBXQCXDGKGNZ-CABZTGNLSA-N 296.298 0.549 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCCc2nnc(N)s2)o1 223903251 USQOKXFKLCFNMH-UHFFFAOYSA-N 294.336 0.745 0 50 CCAA Cc1cc(C(=O)NC2(C(=O)O)CCC2)c(=O)n(C)c1C 426503649 ZOBHJEDYFFCTFF-UHFFFAOYSA-N 278.308 0.739 0 50 CCAA Cc1nc(O)c(C(=O)N[C@H](C)c2nc(N)n[nH]2)c(C)c1C 426415225 AEDUGGOUVQVKPA-MRVPVSSYSA-N 290.327 0.904 0 50 CCAA Cn1c(Cn2cccn2)nnc1C1CCN(CCO)CC1 91550779 IEVSRIIBMLGVCG-UHFFFAOYSA-N 290.371 0.232 0 50 CCAA COCCc1nc(CCC(F)(F)F)n(CCO)n1 96151443 USMKDXVPLBFYSB-UHFFFAOYSA-N 267.251 0.954 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCCn1cccn1 247364232 FLYCKMQOXIMJSM-WUHRBBMRSA-N 289.335 0.912 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@H](c2nccn2C)C2CC2)n1 252505714 VTDJVDIJDJMSCD-ZDUSSCGKSA-N 288.355 0.775 0 50 CCAA COc1ccc(C=c2sc3ncnn3c2=O)cc1OC 254566155 GPPBCMUMBQILRL-UHFFFAOYSA-N 289.316 0.716 0 50 CCAA O=C(NCCc1ccccc1Cl)[C@@H]1C[C@H](O)CN1 299752678 VAEKOGWOLVSKKI-JQWIXIFHSA-N 268.744 0.722 0 50 CCAA CC(C)[C@H](CNC(=O)c1cncc(=O)[nH]1)N(C)C 534651814 IOECHXQGVRQPIX-JTQLQIEISA-N 252.318 0.086 0 50 CCAA CCc1nnc(CNC(=O)C[C@H]2CN(C(C)C)CCO2)o1 534673876 JSPNCIBEXWYEGV-NSHDSACASA-N 296.371 0.748 0 50 CCAA CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 367113770 LCTCSEULZXTZKK-QWHCGFSZSA-N 276.340 0.214 0 50 CCAA CCOC1CCN([C@H](C)CNS(=O)(=O)CC)CC1 823310772 LPPNHICFBFDJAX-LLVKDONJSA-N 278.418 0.815 0 50 CCAA Cc1cc(C)n(C[C@H](C)NCc2nc(O)n[nH]2)n1 821508345 KMZQIVIPPPSSJV-QMMMGPOBSA-N 250.306 0.502 0 50 CCAA Cc1ocnc1C(=O)NCCCN1CCCC[C@H]1CO 584893618 UIEACOJSYSVIMV-LBPRGKRZSA-N 281.356 0.950 0 50 CCAA Cc1nonc1CC(=O)NCCCN1CCCC[C@H]1CO 828710814 JEGVIBAMPZNXKK-LBPRGKRZSA-N 296.371 0.274 0 50 CCAA CN1CC[C@](C)(CNc2cncc(C(=O)N(C)C)n2)C1 823754947 GUWVYYFQEBDXEG-CQSZACIVSA-N 277.372 0.932 0 50 CCAA COCCN1CC[C@H](CN(C)C(=O)c2[nH]nnc2C)C1 584902981 CREAHWPKGJETFB-LLVKDONJSA-N 281.360 0.153 0 50 CCAA CNc1ncccc1C(=O)N1CCN2C(=O)OC[C@H]2C1 584884482 PIRHEEAYWKQUNM-SECBINFHSA-N 276.296 0.400 0 50 CCAA Cc1ncc(C(=O)N2C[C@@H]3CCC[C@]3(N)C2)c(N)n1 1344103351 ZUHFZYWHRSZQTM-ZANVPECISA-N 261.329 0.321 0 50 CCAA Cc1cc(CCNC(=O)N2C[C@@H](N)C3(CCC3)C2)nn1C 1553533051 UJRXWFWCJKEWPW-CYBMUJFWSA-N 291.399 0.794 0 50 CCAA O[C@H]1CN(Cc2cscn2)CC[C@@H]1NC1CCOCC1 1565530396 JBMBJYFDPVWYHF-KBPBESRZSA-N 297.424 0.847 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)Nc1c(C)nn(C)c1C 408099183 JQYYNEIKHLJRLS-SNVBAGLBSA-N 282.369 0.897 0 50 CCAA O=C(NC[C@H]1CCCCN1CCO)[C@H]1CCCOC1 408519919 RKBQXXZDCPWLGD-QWHCGFSZSA-N 270.373 0.376 0 50 CCAA C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N1C[C@@H](C)O[C@@H](C(=O)O)C1 630198992 DXJXLWYXWRBWCZ-SAVGLBRCSA-N 271.313 0.500 0 50 CCAA O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccccc1 547882793 PJVADEBPQFEUQG-ZYHUDNBSSA-N 299.348 0.845 0 50 CCAA CCN(CC(=O)N[C@H]1CCO[C@@H]1c1nccn1C)C1CC1 275273284 CZNAQLWVTXBYBS-JSGCOSHPSA-N 292.383 0.851 0 50 CCAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CCCCO1 275346041 LXIZNUPQUZXNNU-SRVKXCTJSA-N 279.340 0.935 0 50 CCAA O=C(N[C@@H]1CCCN(c2nccnc2O)C1)c1cc[nH]n1 275762953 QVDZVUZONIUJCS-SECBINFHSA-N 288.311 0.304 0 50 CCAA CCO[C@@H](C)C(=O)NN1C(=O)N[C@@](C)(CC)C1=O 278720108 KOLLLBDRGIRIQV-CPCISQLKSA-N 257.290 0.163 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)C1CCOCC1 189099769 YVTPZQXIXVGOCF-LBPRGKRZSA-N 268.357 0.786 0 50 CCAA Cc1ccc(C(=O)N2CC[C@@](O)(Cn3ccnn3)C2)n1C 671502254 AKNDWVGJURPPQZ-AWEZNQCLSA-N 289.339 0.202 0 50 CCAA CCOc1cc(N2CC(=O)N(C)C[C@H]2C)nc(C)n1 1612272520 MSMSPZFVKQOMDV-SECBINFHSA-N 264.329 0.851 0 50 CCAA CN(Cc1ccn(C)n1)C(=O)[C@]12CNC[C@H]1CCOC2 1615555508 UJGUDJCNMUDADL-RISCZKNCSA-N 278.356 0.005 0 50 CCAA Cn1ccnc1CN1C[C@H](Cc2cnccn2)[C@@H](O)C1 1616083977 SJMQQXLCQRBWMP-AAEUAGOBSA-N 273.340 0.246 0 50 CCAA Cc1cc(C(=O)N2C[C@H](Cc3cnccn3)[C@@H](O)C2)no1 1616072150 RXQKNXNKFAFISI-GWCFXTLKSA-N 288.307 0.449 0 50 CCAA COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)cc1C 952868303 JFTQCXSHQHGNQU-GHMZBOCLSA-N 289.328 0.707 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3nccn3C)C[C@@H]2O)n[nH]1 1529119889 NRWDCSYDTOGIHE-YPMHNXCESA-N 275.356 0.487 0 50 CCAA CCCn1cnc(C(N)=O)c1NC(=O)[C@@H]1CCCN(C)C1 1529145458 JSHFHQZYLTVTGT-SNVBAGLBSA-N 293.371 0.672 0 50 CCAA CCOC(=O)CO[C@H]1C[C@@H](N)[C@@H]2OC(C)(C)O[C@H]12 205256587 UBOHBTKTTNSMEV-YKDSUIRESA-N 259.302 0.186 0 50 CCAA in-vitro Cc1nc[nH]c1C(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704354712 KMLNCLAMCKRQIZ-ZYHUDNBSSA-N 287.323 0.184 0 50 CCAA NCc1nc(C(=O)N2CCC[C@]3(CCC[C@H]3O)C2)co1 1704300987 DXBJRYQQHNECBS-BXUZGUMPSA-N 279.340 0.901 0 50 CCAA C/C=C/CC(=O)N1CC[C@H](CNC(=O)OCC)[C@@H](O)C1 215024721 YTMLJESTZDQEPM-CHULQOHASA-N 284.356 0.908 0 50 CCAA CCn1cc(-c2nn(C)cc2C(=O)N(C)CCCN)cn1 644066715 MTXMEKOZTBULLO-UHFFFAOYSA-N 290.371 0.724 0 50 CCAA CN(C)C(=O)CN1CCCN(CCCCC(=O)O)CC1 1598127775 SLFKRQZUDXIDKF-UHFFFAOYSA-N 285.388 0.337 0 50 CCAA Cc1cc(=O)cc(C(=O)N2C[C@H]3C[C@@H](O)C[C@H]3C2)o1 1775982743 OTBXMLLUCSYAEL-PEGIJTEDSA-N 263.293 0.791 0 50 CCAA Cc1cccc(CS(=O)(=O)NCCN2CCOCC2)c1 16579686 KVXVTPYFWVDNNU-UHFFFAOYSA-N 298.408 0.747 0 50 CCAA Cc1cccc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)c1 19235104 OFNTUMGBDXHIMB-CQSZACIVSA-N 287.363 0.874 0 50 CCAA CC[C@@]12COC(=O)N1CCN(C(=O)c1csc(=N)[nH]1)C2 1857678509 ZHVRZZCABPMMSG-GFCCVEGCSA-N 296.352 0.612 0 50 CCAA O=C(Cn1ncnn1)N1CCCN(c2ccccc2)CC1 1857685477 KTTDZKZEOBJHQT-UHFFFAOYSA-N 286.339 0.412 0 50 CCAA CC[C@@H](NC(=O)CCn1cnc2c(N)ncnc21)[C@@H](C)O 615859403 HCWOZSCRJKYCEQ-RKDXNWHRSA-N 292.343 0.074 0 50 CCAA CCc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2)s1 226316189 INACQSZWIHJYIF-GZMMTYOYSA-N 254.355 0.650 0 50 CCAA CC(C)c1nnc2c(=N[C@@H]3CCC(=O)N[C@H]3C)[nH]ccn12 440557630 UZEQZJKPCGMWNV-VHSXEESVSA-N 288.355 0.749 0 50 CCAA NC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1Cn1cncn1 247745449 PGLGZOSQEXIWFG-UONOGXRCSA-N 285.351 0.969 0 50 CCAA CCCC(=O)N1CCC[C@@H](C(=O)Nc2ncnn2C)C1 162932060 ZYZWEVYNUGSGIO-SNVBAGLBSA-N 279.344 0.792 0 50 CCAA O=C(NC[C@@]1(CO)CC12CCOCC2)c1ncc[nH]1 1875278588 MTTAATNLMSPFJU-CYBMUJFWSA-N 265.313 0.319 0 50 CCAA Cc1ccc(C(=O)N2CC[C@H](Cc3nn[nH]n3)C2)cn1 1875286439 SXFMNTPTTSBRSD-SNVBAGLBSA-N 272.312 0.608 0 50 CCAA COCCn1cc(C(=O)N=c2cc3n([nH]2)CCC3)cn1 1875274603 LVJHDZKDDKDDEL-UHFFFAOYSA-N 275.312 0.346 0 50 CCAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@]34C[C@@H]3[C@H](O)C4)[C@@H]2C1 1875313374 LULXXIVMHYRKDW-UUWYPDGFSA-N 265.309 0.373 0 50 CCAA O=C(COCc1ccccn1)N[C@@]12CCC[C@@H]1NCC2 1774598147 QOYVWHZLNSTISZ-DZGCQCFKSA-N 275.352 0.999 0 50 CCAA C[C@H](NC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21)c1nnnn1C 1775997559 HSMLNCYIZOOGBD-AEJSXWLSSA-N 294.359 0.338 0 50 CCAA NC(=O)CC1CCN(c2ncnc3c2CCNC3)CC1 67955277 QETRXLJOGCPABD-UHFFFAOYSA-N 275.356 0.214 0 50 CCAA CN(C(=O)c1ccc2c(c1)NC(=O)CO2)C1CC(O)C1 408219531 OCYGVSMHGZXHQZ-UHFFFAOYSA-N 276.292 0.613 0 50 CCAA N[C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)N1CCCCC1 903551053 SXOQVPRTNGIPCC-ZIAGYGMSSA-N 295.408 0.931 0 50 CCAA O=C(O)[C@]1(NCC2CC2)C[C@](O)(C(F)(F)F)C1 2325809709 APBPOSGHUYYPKY-DTORHVGOSA-N 253.220 0.897 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2O)n[nH]1 2100547088 BESKOVWXYXKCSD-MFKMUULPSA-N 289.339 0.046 0 50 CCAA CO[C@H]1CC[C@@H]1CC(=O)N1CCc2nn(C)c(=O)cc2C1 2325804541 YJTOXRTTZVUGLX-MFKMUULPSA-N 291.351 0.480 0 50 CCAA Cc1nn(CC(=O)N2CCOCC2)cc1Br 2778866 DIVVBDOADAWBBZ-UHFFFAOYSA-N 288.145 0.813 0 50 CCAA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@H]3O2)cc1 101356256 PKBOQYMJBKCFPT-JXFSHQFZSA-N 285.299 0.800 0 50 CCAA Cc1nn(C)cc1[C@H](C)NC(=O)CSc1nncn1C 68152973 LGHLICGJTJVQAC-QMMMGPOBSA-N 294.384 0.827 0 50 CCAA O=C(c1ncn[nH]1)N1CCC([C@H](O)c2ccccn2)CC1 215703257 RTBKVVBWGSEALD-LBPRGKRZSA-N 287.323 0.786 0 50 CCAA C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCO[C@H]2CCC[C@H]21 330283845 WQZVAFRXWBNSMF-USZNOCQGSA-N 275.370 0.747 0 50 CCAA Cc1cnc(C(=O)NCCSc2ncn[nH]2)[nH]1 216317990 JQLXKJHJOVJCGT-UHFFFAOYSA-N 252.303 0.358 0 50 CCAA CC(C)N1C[C@H](C(=O)NCCn2cc(Cl)cn2)CC1=O 77406899 PMXSQGBIBIDEGH-SNVBAGLBSA-N 298.774 0.910 0 50 CCAA CN(C)[C@@H](C(=O)NCCCN)c1ccc(F)cc1 219688970 NUVVAUGRLUQJSZ-GFCCVEGCSA-N 253.321 0.893 0 50 CCAA C[C@H](O)CN1CCC(CN(C)[C@H]2C[C@@H](C)OC2=O)CC1 241231213 KTBQGCVYESCOQX-SCRDCRAPSA-N 284.400 0.715 0 50 CCAA Cc1cc(C)n(CCNC(=O)N2CCSCC2)c(=O)n1 426428329 NDJRTGXLOXJEEG-UHFFFAOYSA-N 296.396 0.619 0 50 CCAA O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)[C@@H]1COCCN1 178460632 RTKKJZSVMFUPLL-XQQFMLRXSA-N 264.300 0.786 0 50 CCAA O=C(NCCc1nc(-c2ccccn2)no1)[C@@H]1CCCO1 223059640 QHSDIFWUGLHDOB-NSHDSACASA-N 288.307 0.969 0 50 CCAA CS[C@@H](C)CC(=O)N1CCOC[C@H]1CC(=O)O 263511063 CHPNSZARGBBKQV-DTWKUNHWSA-N 261.343 0.830 0 50 CCAA CCn1nccc1S(=O)(=O)N1CCC(N)CC1 426689099 DDIYUFMLTDKCNF-UHFFFAOYSA-N 258.347 0.015 0 50 CCAA O=C1CCCN1CCCNc1cc([C@H]2CCOC2)ncn1 426538032 CDOVDGFQOYHGQP-LBPRGKRZSA-N 290.367 1.405 0 50 CCAA NS(=O)(=O)CCNC(=O)NCC1(C2CC2)CCC1 178974953 WDXPJJHTJWPOHJ-UHFFFAOYSA-N 275.374 0.154 0 50 CCAA CN(C(=O)c1ccccc1N1CCOCC1)[C@@H]1CCNC1 179110301 KCDYBWHPLPMYQX-CYBMUJFWSA-N 289.379 0.957 0 50 CCAA CCN1CCC[C@](C)(C(=O)NCCc2cnn[nH]2)C1 426599017 UGHFHILYRUCSTJ-ZDUSSCGKSA-N 265.361 0.585 0 50 CCAA COc1coc(CN2C(=O)COc3cccnc32)cc1=O 95373213 ZSHIVAQTXOBOQN-UHFFFAOYSA-N 288.259 0.969 0 50 CCAA O=C1COc2cccnc2N1C[C@@H]1COCCO1 95379777 YNONJYHCRKMRSC-SECBINFHSA-N 250.254 0.222 0 50 CCAA COc1cc(NC[C@@H]2CCCCN2C)nc(N)n1 234910382 SDWFFJDGEXMDTO-VIFPVBQESA-N 251.334 0.964 0 50 CCAA CN(C)Cc1nnc([C@H]2C[C@@H](NC3CCOCC3)C2)n1C 244795978 RQRWFKJMJRNTPL-BJHJDKERSA-N 293.415 0.891 0 50 CCAA CC(C)COCCC(=O)N1CCO[C@@H](C(=O)O)C1 299753789 ZIVMMXJJQBQAQI-SNVBAGLBSA-N 259.302 0.361 0 50 CCAA O=C(Cc1ccncc1)N[C@H]1COC[C@@H]1N1CCCCC1 534667813 PCFOOSHIQPPJIU-GJZGRUSLSA-N 289.379 0.994 0 50 CCAA Cc1cccn2c(CC(=O)NCCc3nc(N)n[nH]3)cnc12 534579795 MFEWEIPDLCMSLF-UHFFFAOYSA-N 299.338 0.244 0 50 CCAA CN(C)C(=O)c1cncc(N2CCC[C@H]2C(=O)O)n1 534654428 PUZJELNTOQTADH-VIFPVBQESA-N 264.285 0.232 0 50 CCAA C[C@H](Cc1cccnc1)NC(=O)CN(C)C1CCNCC1 534587697 OQURPCFSKJQMDW-CYBMUJFWSA-N 290.411 0.813 0 50 CCAA Cc1cc(C)n(C[C@H](C)NC(=O)c2n[nH]nc2C)n1 299797889 PCLVTSMMWNLFJR-QMMMGPOBSA-N 262.317 0.745 0 50 CCAA COc1nc(C(=O)N=c2nc(SC)s[nH]2)nn1C 1940195402 APFITUGNKWINIH-UHFFFAOYSA-N 286.342 0.071 0 50 CCAA O=C(O)CNC(=O)CCC(=O)OCc1ccccc1 575436307 DXCADRWDNYSBBX-UHFFFAOYSA-N 265.265 0.711 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C1CCN(Cc2ccco2)CC1 828896190 UUUPYVLNAMSPJL-OCCSQVGLSA-N 294.351 0.764 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(c2nnc(C(F)(F)F)s2)C1 585122812 VLTSBLMMSCKIRM-GSVOUGTGSA-N 281.215 0.994 0 50 CCAA CCCCN1CCN(CCn2cnnc2)CC1=O 670460103 BAFQOVJVARHSKU-UHFFFAOYSA-N 251.334 0.222 0 50 CCAA NC(=O)c1noc(CNC(=O)c2ccc3c(c2)CCC3)n1 670458248 GRYHOBXUIFNPQU-UHFFFAOYSA-N 286.291 0.587 0 50 CCAA CN1CCO[C@H](C(=O)N2C[C@@H]3CC=CC[C@H]3C2)C1 685939572 YVJRAZXILDXLND-AVGNSLFASA-N 250.342 0.742 0 50 CCAA CCCN1CCC(CC(=O)N2CC[C@H](O)[C@@H](O)C2)CC1 952981225 LAEYMWGYNWERLF-KBPBESRZSA-N 284.400 0.453 0 50 CCAA COC[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3CN2)CCO1 269058960 IXVOLUSSDXRIOT-CABCVRRESA-N 290.363 0.575 0 50 CCAA CNC(=O)N[C@H]1CCN(C[C@](C)(O)C(F)(F)F)C1 407958914 SCLXSFXYNAHTGA-CBAPKCEASA-N 269.267 0.303 0 50 CCAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCCO1 408046549 LTRNUMYGDVLCOZ-NXEZZACHSA-N 251.286 0.662 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CCCS(=O)(=O)C2)n1 408163893 IMEAKAOLVXZOMX-VXGBXAGGSA-N 299.396 0.754 0 50 CCAA Cc1c(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cnn1C 408496341 HNGANZPEAOAAFO-GMTAPVOTSA-N 297.380 0.970 0 50 CCAA Cc1cc(C)nc(N[C@@H]2C[C@H](C(=O)O)C[C@@H]2O)n1 662895656 FLKXUIBCAZBUSO-AEJSXWLSSA-N 251.286 0.729 0 50 CCAA CCCc1nc([C@H]2CN([C@@H](C(=O)O)C3CC3)CCO2)n[nH]1 635016961 QANFIBBVYYQPQJ-ZYHUDNBSSA-N 294.355 0.994 0 50 CCAA C[C@H]1COCCN1CCn1c(-c2ncccn2)noc1=O 188306600 ODGYSPUSLPDFMS-JTQLQIEISA-N 291.311 0.014 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cncnc1 644070137 CVLWQFGXGYLJKM-UPJWGTAASA-N 276.340 0.194 0 50 CCAA CC1(C)C(CNC(=O)CC[C@H]2NC(=O)NC2=O)C1(C)C 585079693 HWIQBYRLUNYMRA-MRVPVSSYSA-N 281.356 0.773 0 50 CCAA Cc1nc(O)c2c(n1)CN(S(=O)(=O)c1cccnc1)C2 585139379 QKZDNDNKTQFLRD-UHFFFAOYSA-N 292.320 0.590 0 50 CCAA CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cnon2)C1 1615587259 WJMACUXLFSVLOW-QWRGUYRKSA-N 294.355 0.971 0 50 CCAA CC1=C(C(=O)N2CCC[C@@](O)(CO)CC2)OCCO1 1506422698 CCYPMZVKWBRDMT-ZDUSSCGKSA-N 271.313 0.001 0 50 CCAA CN1CCO[C@@]2(CCN(c3ncnc4cc[nH]c34)C2)C1 1772809215 PEGMGEJOLSCYKT-AWEZNQCLSA-N 273.340 0.869 0 50 CCAA Cc1ncsc1CCNC(=O)c1nc2ncccn2n1 200558851 JTQWGFBGCIXCMT-UHFFFAOYSA-N 288.336 0.862 0 50 CCAA C[C@@H]1C[C@@H](CN2CCN(c3cnn(C)c3)C(=O)C2)CCO1 408145702 ULHUVUSHPMGLRN-OLZOCXBDSA-N 292.383 0.884 0 50 CCAA C[C@@H]1CN(c2cc(N3CCCC3)ncn2)C[C@H](CO)O1 225490501 BBPXDNJHJGIKQV-VXGBXAGGSA-N 278.356 0.663 0 50 CCAA C[C@H]1OCC[C@@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 331916167 LHLVKXYKZOIEGX-SCZZXKLOSA-N 281.312 0.906 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)CCC2CCOCC2)C1 644002858 VKXWYWUQZLJKNM-HNNXBMFYSA-N 298.383 0.422 0 50 CCAA CN1CC[C@@]2(CCN(C(=O)NCCn3cccn3)C2)C1 576922567 JJOKWHYIDODWAS-CQSZACIVSA-N 277.372 0.620 0 50 CCAA O=C(CN[C@@H]1CCNC12CCC2)Nc1ccccn1 903472585 SOXDWQYAQIXYLX-LLVKDONJSA-N 260.341 0.894 0 50 CCAA NC(=O)[C@H](CO)NC(=O)c1ccc(C(F)F)c(F)c1 935927070 ZWWXCXPYJWGJJA-QMMMGPOBSA-N 276.214 0.339 0 50 CCAA COc1ccnc(N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)n1 952890390 RZTNHXJQLLEGMA-NXEZZACHSA-N 290.327 0.612 0 50 CCAA Cc1ccn(C)c1C(=O)NC[C@@H]1CCO[C@@H]1c1nc[nH]n1 952888725 MALGOXRYMBCSQO-JQWIXIFHSA-N 289.339 0.959 0 50 CCAA CC1(C)OC[C@@H](CONC(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)O1 1875307094 JZYSVONTHCSHHP-UKKRHICBSA-N 271.313 0.753 0 50 CCAA C[C@H]1CN(c2cc3c(O)ncnc3cn2)C[C@H](CO)O1 1875395244 SRUBQXGGDGUMSS-DTWKUNHWSA-N 276.296 0.316 0 50 CCAA CN(C)C/C=C/C(=O)NCC1(N(C)CCO)CCCCC1 1875375497 FOJLCLQHWFIVTO-BQYQJAHWSA-N 297.443 0.847 0 50 CCAA Cn1nccc1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 1775957711 JUIWXQLAMSWRDB-CMPLNLGQSA-N 275.312 0.873 0 50 CCAA O=C(O)CCN1CCN(C(=O)C[C@@H]2CCOC2)CC1 401205155 QREIQHZNWYDJMU-NSHDSACASA-N 270.329 0.032 0 50 CCAA CC[C@@H](C)CC(=O)C(=O)NC1(C(N)=O)CCCC1 2325813750 CDWJLPMWEVEBAA-SECBINFHSA-N 254.330 0.906 0 50 CCAA O=C(Cc1c[nH]nc1O)NC[C@H]1CCc2c[nH]nc2C1 2325848647 MGNADGFWAOZEHT-QMMMGPOBSA-N 275.312 0.302 0 50 CCAA CC(C)c1nccn1CCC(=O)N1CC[C@H](N)C1 152389977 YDBOUTHCZCAYON-NSHDSACASA-N 250.346 0.956 0 50 CCAA COC(=O)c1ccccc1C(=O)N1C[C@H](O)CO1 169064 RWKNVCIZFHCRKR-QMMMGPOBSA-N 251.238 0.222 0 50 CCAA O=c1[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2o1 798921 LPWIZZIBCQFJPZ-UHFFFAOYSA-N 284.293 0.142 0 50 CCAA Cc1cc(C)n([C@H]2CCN(C(=O)CCn3cncn3)C2)n1 219120748 AMCNPPJXCBNCNK-ZDUSSCGKSA-N 288.355 0.955 0 50 CCAA COC(=O)[C@@H](CNCc1ccc(OC)cc1)[C@@H](C)O 39022874 BHTXFDCKVRIWTI-MFKMUULPSA-N 267.325 0.955 0 50 CCAA CCN1CCN(C(=O)[C@@H]2C[C@H](C)CC(O)=N2)CC1 328753097 RUJINWVDTFXRAE-QWRGUYRKSA-N 253.346 0.906 0 50 CCAA O=C(CC[C@@H]1CCCO1)N1CCO[C@H](c2ncon2)C1 329983553 BGXXKTRLJLJSCT-QWRGUYRKSA-N 281.312 0.929 0 50 CCAA CCS(=O)(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 152200779 FGWBOVSREPEJBH-JTQLQIEISA-N 283.353 0.235 0 50 CCAA CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)[C@H]1CCOC1 257366261 PVHXSOOOFVCDAT-AGIUHOORSA-N 288.413 0.664 0 50 CCAA CN(CC(=O)O)C(=O)c1ccc(N2CCCC2)nn1 153106568 CMSUEZFVGAJCOQ-UHFFFAOYSA-N 264.285 0.233 0 50 CCAA CC(=O)N1CCN(Cc2cnc(N(C)C)nc2)CC1 216264723 HCEDBABMEPSXIY-UHFFFAOYSA-N 263.345 0.207 0 50 CCAA C[C@]1(c2ccccc2)CCN(CC(=O)NCC(=O)O)C1 361765316 YTDFJLFFVFGHTG-HNNXBMFYSA-N 276.336 0.851 0 50 CCAA COCCCNC(=O)CN1C[C@H](CO)Oc2ccccc21 366041569 JXGNXCKLFKEXSH-GFCCVEGCSA-N 294.351 0.399 0 50 CCAA O=C(Cn1nnc(C2CC2)n1)N1CCOC[C@H]1C1CC1 371375263 NBUJJATXNIGBFD-NSHDSACASA-N 277.328 0.188 0 50 CCAA CCc1cnccc1C(=O)N1CCC[C@](O)(C(N)=O)C1 375774477 LTHQOKVUBOWINJ-CQSZACIVSA-N 277.324 0.096 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cnn2cccnc12 282228040 UWBMMKIIAGIONJ-WPRPVWTQSA-N 273.296 0.126 0 50 CCAA COc1cc(N2CCN([C@@H](C)C(N)=O)CC2)ccc1F 282662173 BQZSMFQSECSXEC-JTQLQIEISA-N 281.331 0.830 0 50 CCAA COc1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)ccc1F 284657516 SQNUFRFHFVBJQI-ONGXEEELSA-N 296.298 0.549 0 50 CCAA CCNC(=O)C[C@H]1CCCCN1C(=O)c1cnnn1C 284737513 AYWWONLPRUOCQE-SNVBAGLBSA-N 279.344 0.336 0 50 CCAA CNC(=O)c1ccc(CN2C[C@@H](C)[C@H](C(N)=O)C2)cc1 284893591 RIOPJHPIXSTDNI-ZWNOBZJWSA-N 275.352 0.599 0 50 CCAA CC[C@H]1C[C@H](NC(=O)c2cnc(C(=O)O)cn2)CCO1 263224191 PQSAHPCSWQNHBU-BDAKNGLRSA-N 279.296 0.862 0 50 CCAA NC(=O)[C@@H]1CCCN1C(=O)NCc1nc2ccccc2[nH]1 43032330 HJBPAHCVQARWGP-NSHDSACASA-N 287.323 0.722 0 50 CCAA CN(CCC(=O)O)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 178286997 NXEJVVJANCIBQB-NKWVEPMBSA-N 296.245 0.377 0 50 CCAA CN1C[C@@H](C(=O)NCc2ncc(Cl)cn2)CCC1=O 426689994 WTVCYRRKBJHOIF-QMMMGPOBSA-N 282.731 0.615 0 50 CCAA Nc1nnc(CNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)s1 426372013 JNKNGUSSOGFCBR-CFMBBZTMSA-N 264.354 1.029 0 50 CCAA CCn1c(C)ccc(C(=O)NCCn2ccnn2)c1=O 426387181 ZAFFIUHAEYFQJJ-UHFFFAOYSA-N 275.312 0.198 0 50 CCAA CCN1CCC[C@H]1CSc1nnc(CN)n1C 426440321 QSGRDFROIVOUPD-VIFPVBQESA-N 255.391 0.850 0 50 CCAA Cc1ccccc1[C@@H](C(=O)NC(CO)CO)N(C)C 95377130 QIEKCOVSRJNSOK-ZDUSSCGKSA-N 266.341 0.067 0 50 CCAA C[C@H]1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)CCN1 97773002 USQUXUPLUUEEHH-LURJTMIESA-N 262.235 0.862 0 50 CCAA COc1ccc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cn1 267623304 VBUBVFBNTLOILX-JTQLQIEISA-N 291.307 0.356 0 50 CCAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cnccn1 244692022 JNCQKPZTODAMEN-KWCYVHTRSA-N 298.346 0.984 0 50 CCAA CC[C@H]1CN(c2cncc(C(=O)N(C)C)n2)CCO1 342216470 DBCIURIFTPMDGZ-JTQLQIEISA-N 264.329 0.794 0 50 CCAA NC(=O)[C@@H]1CCCN1C(=O)CCc1cccc2c1OCO2 183950164 YQOHCPXNBBWNIB-NSHDSACASA-N 290.319 0.824 0 50 CCAA CC1(C)CN(c2nc(=N)[nH]c(=N)[nH]2)[C@H]1c1cccnc1 624238066 JQXUKGHEAIGGRM-VIFPVBQESA-N 271.328 0.679 0 50 CCAA Cc1ccnc(N2CCC([C@H](O)C(=O)NC3CC3)CC2)n1 299749411 KFNWFTGHZLDRIT-ZDUSSCGKSA-N 290.367 0.641 0 50 CCAA COCc1noc(CNC(=O)CCc2n[nH]c(C)c2C)n1 534656860 SJRGEZLQWPTRKF-UHFFFAOYSA-N 293.327 0.805 0 50 CCAA CC[C@@H]1C(=O)Nc2cc(-c3nn[nH]n3)ccc2C(=O)N1C 534631894 QRVDYPYNYHSBMP-SNVBAGLBSA-N 286.295 0.669 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N1CCN2C(=O)OC[C@@H]2C1 371994994 ZJYXQHALINHQEG-QMMMGPOBSA-N 276.296 0.175 0 50 CCAA O=C(c1cc(O)cc(Br)c1)N1C[C@@H](O)CO1 700770007 QONJTJAJMMRGHH-SECBINFHSA-N 288.097 0.903 0 50 CCAA O=C(CCn1cncn1)N[C@H]1COC[C@@H]1N1CCCCC1 299789358 YBOKLJFBAYISNN-STQMWFEESA-N 293.371 0.038 0 50 CCAA C[C@H](Cn1cccn1)C(=O)N(C)C1CCS(=O)(=O)CC1 299765485 HIVRWVODHYSYOD-LLVKDONJSA-N 299.396 0.555 0 50 CCAA Cc1cnc([C@@H](C)NC(=O)CN2CCCN(C)CC2)[nH]1 823778336 DWHDEPKFZAZLPN-GFCCVEGCSA-N 279.388 0.533 0 50 CCAA Cc1nn(CCCNC(=O)N(C)C[C@H](O)CO)c(C)c1C 584897834 BQCNXFLPCVNDSH-ZDUSSCGKSA-N 298.387 0.193 0 50 CCAA CCOC(CN1CCN(c2nnc(C)n2C)CC1)OCC 585136519 JBEFZRHPGIJCKJ-UHFFFAOYSA-N 297.403 0.645 0 50 CCAA Cc1nc(C)c(C(=O)N(C)CCCN2CCOCC2)[nH]1 584885131 LQZARTVCJPFKQJ-UHFFFAOYSA-N 280.372 0.821 0 50 CCAA CCCc1cnc(N2C[C@@H](CO)[C@H](CO)C2)nc1 670470839 MABKJYXHIGNXFB-RYUDHWBXSA-N 251.330 0.466 0 50 CCAA N[C@@H]1CC[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)NC1 757214576 MPTXXDGECNEHEO-ZYUZMQFOSA-N 251.296 0.996 0 50 CCAA Cn1nc(C(=O)NC[C@@H]2Cc3ccccc3CN2)cc1N 1550191053 DQXDYRBUZCZRTA-LBPRGKRZSA-N 285.351 0.447 0 50 CCAA CN(C)C(=O)CN1CCCN(CCCn2cccn2)CC1 952869095 IDGWOHIXCHZBLZ-UHFFFAOYSA-N 293.415 0.369 0 50 CCAA COCCn1ccnc1CN1CCCC[C@@H]1C(=O)O 244778608 PTPRNADTUNYXKS-LLVKDONJSA-N 267.329 0.969 0 50 CCAA Nc1nccnc1C(=O)N[C@H]1CCO[C@@H]1c1cccnc1 275390190 MQJYOVUAPBNUCO-CMPLNLGQSA-N 285.307 0.714 0 50 CCAA CO[C@@H](C)[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 188790749 CABJVCRFGZAAJS-GUBZILKMSA-N 278.374 0.238 0 50 CCAA Cc1ncc(CN2CCC[C@](O)(CC(=O)N(C)C)C2)cn1 643755390 SVLMSQZWQGJUOJ-HNNXBMFYSA-N 292.383 0.590 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(CC(F)(F)F)C1 643810650 GTUNPUSTJQYBEQ-JTQLQIEISA-N 268.279 0.854 0 50 CCAA CCc1cnc(O)c(C(=O)N2C[C@@H]3CC[C@]3(N)C2)c1 1615547884 VUYITWGAMNPJBW-HZMBPMFUSA-N 261.325 0.913 0 50 CCAA CN1CCN(C(=O)[C@]23CNC[C@H]2CCOC3)CCC1(C)C 1615550809 ZMGFUUPVAYMMLQ-CJNGLKHVSA-N 295.427 0.555 0 50 CCAA Cn1ccnc1CCN1CCC[C@H]1C(=O)N1CCOCC1 1506398376 PTQKRYPJEUAQCX-ZDUSSCGKSA-N 292.383 0.286 0 50 CCAA O=C(NC1(CO)CC=CC1)[C@@H]1CCc2ncnn2C1 1857732811 ICEPXGPFLUUVHJ-SNVBAGLBSA-N 262.313 0.038 0 50 CCAA CCC[C@@H](NC(C)=O)C(=O)N(CCO)Cc1ncc[nH]1 1704306599 PYRZPWSZRCITQJ-LLVKDONJSA-N 282.344 0.035 0 50 CCAA CCCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O 9708623 MXUDFMUDMDJJNH-UHFFFAOYSA-N 276.296 0.968 0 50 CCAA COCCOc1ccccc1C(=O)N1CC[C@H](N)C1 132646934 LFNNBKUMVZLWEL-NSHDSACASA-N 264.325 0.885 0 50 CCAA C[C@@H]1NC(=O)[C@H]2CN(Cc3ccsc3)CCN2C1=O 14753993 XYMRZIOUVWGHGY-GXSJLCMTSA-N 279.365 0.279 0 50 CCAA COc1cc(C(=O)N2CCOC[C@H]2CO)ccc1F 168592233 QMLUSZGEEQUHDR-SNVBAGLBSA-N 269.272 0.668 0 50 CCAA COCCc1noc(CN(C)C(=O)[C@@]2(C)CCCO2)n1 152727183 WWELVATZIJPXKK-CYBMUJFWSA-N 283.328 0.786 0 50 CCAA CS(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1 261848 JHOFQNBZRLPFDG-UHFFFAOYSA-N 296.392 0.974 0 50 CCAA O=C(c1cc(Cn2cccn2)on1)N1CCC12COC2 615921457 ODCQOPNHBXYCBR-UHFFFAOYSA-N 274.280 0.534 0 50 CCAA CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)CO 617589084 RAYHIHUHPFCHDK-GXFFZTMASA-N 267.329 0.479 0 50 CCAA C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(CC(=O)O)C2CCOCC2)O1 653558391 YHFQXKIPEUVQFF-BREBYQMCSA-N 285.340 0.892 0 50 CCAA O=C(c1cncc2ccccc12)N1C[C@H](O)C[C@H]1CO 366697974 RDUGLWQFLPJEKH-NWDGAFQWSA-N 272.304 0.803 0 50 CCAA Cn1ncc(CNC(=O)c2ccc(N3CCCC3)nc2)n1 805211765 YZLFYMPZXCALOR-UHFFFAOYSA-N 286.339 0.740 0 50 CCAA C[C@]1(O)CC2(CCN(c3cnccn3)CC2)OC[C@@H]1O 1704310752 SAQBYIHDAXLRJA-AAEUAGOBSA-N 279.340 0.348 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(CCc1ccccc1)C2 1704311673 PLLHNFKXAGZVOS-KGLIPLIRSA-N 260.337 0.676 0 50 CCAA CC(C)[C@@H](O)Cn1cnc2c(nnn2-c2ccccc2)c1=O 916836888 PKIROKVOQGAUIE-LBPRGKRZSA-N 299.334 0.994 0 50 CCAA Cc1nn(C(C)(C)C)cc1C(=O)N1CC2(CNC(=O)O2)C1 857543242 UIQZYPUOLOEZRS-UHFFFAOYSA-N 292.339 0.881 0 50 CCAA CCOC(=O)[C@]1(F)CN(C(=O)NC(C)C)CC12COC2 1875269492 HXOGEGAVNRZEFF-CYBMUJFWSA-N 288.319 0.708 0 50 CCAA O=C(Nc1cccc2nc(O)[nH]c12)[C@@]12CO[C@@H](CN1)C2 1875314931 AQLNJLKPMHKRHB-FUXBKTLASA-N 274.280 0.338 0 50 CCAA O=c1ccccn1Cc1cn(C[C@@H]2CCCCNC2)nn1 899741230 NWAISKJFKDAMPG-CYBMUJFWSA-N 287.367 0.878 0 50 CCAA Cn1cc(CCCNC(=O)C2(C(=O)O)CC2)cn1 154853377 XXKYMNWFROLWST-UHFFFAOYSA-N 251.286 0.334 0 50 CCAA CSCC[C@@H](NC(=O)c1cnc(N)s1)C(=O)O 426612228 CXJZVNBODOQKHC-RXMQYKEDSA-N 275.355 0.661 0 50 CCAA C[C@@H]1OCC[C@]1(O)CNC(=O)c1cccc2c[nH]nc12 331591368 USPWZNYHQGRGRY-XPTSAGLGSA-N 275.308 0.833 0 50 CCAA CC(=O)N1CCN(C(=O)[C@@H]2CCCNCC2)CC1 534661621 ICHRPPGJSGGPAG-GFCCVEGCSA-N 253.346 0.067 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(F)c(F)c1 629225408 NRGUCMBEBQLEFD-QWRGUYRKSA-N 257.236 0.844 0 50 CCAA CC(C)C[C@H](C(=O)O)N1CCN([C@H]2CCOC2)CC1 629489044 AEAPEQVQJMWKTG-QWHCGFSZSA-N 270.373 0.892 0 50 CCAA CC(C)n1[nH]cnc1=NC(=O)COC[C@H]1CCCO1 574195590 YYPHJNXQUCTEAM-SNVBAGLBSA-N 268.317 0.415 0 50 CCAA O=C(NCCc1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 2903489 NBNRIBSPRMIZRR-CYBMUJFWSA-N 294.326 0.780 0 50 CCAA Cc1cc(F)ccc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 560634613 JENMDTGESZFVQN-STQMWFEESA-N 266.316 0.881 0 50 CCAA O=C(O)c1n[nH]c(N2C(=O)c3ccccc3C2=O)n1 209029 QTYSRGBUEJYGIQ-UHFFFAOYSA-N 258.193 0.304 0 50 CCAA COc1ccc(C(=O)NN2CCOCC2)cc1OC 439096 FRUCJDAQUSZGFU-UHFFFAOYSA-N 266.297 0.681 0 50 CCAA O=C(Cc1ccccc1Cl)Nc1c[nH]c(=O)[nH]c1=O 6747009 BDJIEOUNNYTQRY-UHFFFAOYSA-N 279.683 0.898 0 50 CCAA COC(=O)c1cccc(C(=O)N2CCC(=O)NC[C@@H]2C)c1 20866189 ZPFZLDHNWUUBGA-JTQLQIEISA-N 290.319 0.824 0 50 CCAA Cn1c(S)nnc1CCNC(=O)[C@@H]1[C@H]2CCC[C@H]21 247122370 XHQRUVRNJLPRBC-MBTKJCJQSA-N 266.370 0.809 0 50 CCAA O=S(=O)(C1CC1)N1CCS[C@H]2COCC[C@H]21 247289321 UCBQLUOPOGRCJK-ZJUUUORDSA-N 263.384 0.685 0 50 CCAA CCOCCN1CCN([C@H]2CCOC2=O)C[C@@H]1CC 247386981 WQVPUQWRHAFZTK-STQMWFEESA-N 270.373 0.735 0 50 CCAA C[C@H](NC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C)C(=O)N(C)C 347056114 ZGQNDKODZYAMGG-KVGMRJQNSA-N 289.401 0.014 0 50 CCAA COc1cccc(CNC(=O)c2cccn(C)c2=O)n1 355671985 XMGDEGLEAYXEDR-UHFFFAOYSA-N 273.292 0.719 0 50 CCAA Cc1cccc(C)c1OC1CN(C(=O)[C@@H](N)CO)C1 219211244 LARSRVMGOUKBBY-LBPRGKRZSA-N 264.325 0.213 0 50 CCAA COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](C)O 30768795 GUPVTMUHGSBJMS-SNVBAGLBSA-N 273.354 0.971 0 50 CCAA CN(CC(=N)O)C[C@@H]1CN(C(=O)c2ccco2)CCO1 331243506 OIOSCTAHVHQRTK-SNVBAGLBSA-N 281.312 0.588 0 50 CCAA CCOCCN1CCN(S(=O)(=O)NC2CC2)C[C@@H]1C 331915800 DVIQVFZNEKSRPI-NSHDSACASA-N 291.417 0.026 0 50 CCAA COCCOCC(=O)N(C)[C@H](C)c1ccncn1 219503925 KGUPWWSZQGZXRA-SNVBAGLBSA-N 253.302 0.659 0 50 CCAA CC[C@H]1CN(C(=O)CS(=O)(=O)C2CC2)C[C@@H](CC)O1 333694809 GKAWRZYSUJWOMJ-PHIMTYICSA-N 289.397 0.980 0 50 CCAA CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1cnc[nH]1 241515740 OHQDQSNFBKQDAM-CMPLNLGQSA-N 286.401 0.559 0 50 CCAA C[C@@H]1C(=O)NCCCN1C(=O)c1ccc2c(c1)CCO2 335787095 BNIPHNNWFDNBQU-SNVBAGLBSA-N 274.320 0.972 0 50 CCAA Cc1noc(C)c1CNC(=O)CCn1nnnc1C 222780691 ZHBIRPYZKLPMRY-UHFFFAOYSA-N 264.289 0.293 0 50 CCAA CN(CCCO)c1cc(C2CC(N)C2)nc(N)n1 220676365 QYEBMXKFWWDTAZ-UHFFFAOYSA-N 251.334 0.082 0 50 CCAA Cc1nc2n(n1)C[C@@H](Nc1cnc(C(=O)O)cn1)CC2 263434110 URSMAMCIRUGDLR-QMMMGPOBSA-N 274.284 0.502 0 50 CCAA CCn1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)cn1 285580793 WHSNEZSBIBQBFB-AAEUAGOBSA-N 289.339 0.897 0 50 CCAA CCCO[C@H](C)C(=O)NCCc1nc(C)cc(=O)[nH]1 220135298 HMIZODVCIQOZOB-SNVBAGLBSA-N 267.329 0.552 0 50 CCAA O=C(Nc1ncn[nH]1)[C@@H](Cc1ccccc1)n1cnnn1 223231705 MAFOEFAWZLGZOK-SNVBAGLBSA-N 284.283 0.214 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1c(C2CC2)cnn1C 614455680 MWDSFUSYXTVSHA-KCJUWKMLSA-N 276.340 0.694 0 50 CCAA C[C@H]1CNCCN1S(=O)(=O)CCOc1ccccc1 426534554 XPHQRZKYKFNXGG-LBPRGKRZSA-N 284.381 0.689 0 50 CCAA COc1ncnc(OC)c1C(=O)N1C[C@H](C)N[C@H](C)C1 179152292 IKXOTMGTPDQFRQ-DTORHVGOSA-N 280.328 0.316 0 50 CCAA COc1ncc(C(=O)N[C@@H](CC(C)C)C(N)=O)cn1 426552229 CYVSHLRCLZOENF-VIFPVBQESA-N 266.301 0.115 0 50 CCAA N[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1O 95742998 IRKGMFWANMCSOS-NEPJUHHUSA-N 250.298 0.717 0 50 CCAA CCCn1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)c(C)n1 91747035 NFQUFBFXDWXCHR-SNVBAGLBSA-N 283.353 0.642 0 50 CCAA COc1cnc(N2CC[C@@]3(CCCNC3=O)C2)nc1 91908076 PKKCRJXUCPUTIF-ZDUSSCGKSA-N 262.313 0.592 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25C[C@@H]6C[C@@H]6C[C@@]12[C@H]5[C@H]43 248004385 BKAQNBNJLVGXDL-GFBHWPKSSA-N 283.331 0.366 0 50 CCAA C[C@H](NC(=O)CSCCN1CCCC1)c1nncn1C 244734381 NEJBLEOMCDOJPN-NSHDSACASA-N 297.428 0.821 0 50 CCAA COCC1(CNC(=O)CCNS(C)(=O)=O)CCCC1 534582795 KZBAWMCVXCABEB-UHFFFAOYSA-N 292.401 0.249 0 50 CCAA CCc1nnc(CN(C)CC[C@H]2CCS(=O)(=O)C2)o1 670451561 KRELIEGYUPFATN-JTQLQIEISA-N 287.385 0.889 0 50 CCAA O=C(N[C@H]1C[C@H](C(=O)O)C1)N1CCO[C@@H](C(F)(F)F)C1 698710611 ODTAQRNWOYEDPW-BWZBUEFSSA-N 296.245 0.822 0 50 CCAA O=C(CCC(=O)c1ccccc1)N[C@H]1CNC[C@@H]1O 1565508854 VEJXGZIFFOVQTF-AAEUAGOBSA-N 262.309 0.098 0 50 CCAA C[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1)Oc1ccccc1Cl 269210089 AFSZLTVWMMTXOQ-SCVCMEIPSA-N 298.770 0.946 0 50 CCAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(O)nc1 275432796 UZSGRRSWPGGCEV-JQWIXIFHSA-N 288.307 0.781 0 50 CCAA O=C(NCc1nnnn1CC1CC1)C1[C@H]2CCC[C@H]12 170598290 ZQKFFYRIVYMMER-UWVGGRQHSA-N 261.329 0.745 0 50 CCAA Cn1cc([C@@H]2CN(C(=O)NCC(C)(C)F)C[C@H]2CO)cn1 637597945 UTLNCYNNCPEYKG-RYUDHWBXSA-N 298.362 0.886 0 50 CCAA CC(C)n1cc(C(=O)N[C@@H]2CCc3ncnn3C2)cn1 191600720 GCZVSKVLZFQNTA-LLVKDONJSA-N 274.328 0.800 0 50 CCAA O=C(O)C[C@H](NC(=O)c1cn[nH]c1)C(F)(F)F 710736124 OBYFAXBUSVCETQ-YFKPBYRVSA-N 251.164 0.545 0 50 CCAA CN(CCc1ccccn1)C(=O)c1ccc2c(c1)B(O)OC2 584941750 BOVHFFBEBNZFOU-UHFFFAOYSA-N 296.135 0.614 0 50 CCAA COc1ccccc1O[C@@H](C)CNC(=O)COCC(=O)O 585090029 XGFMRJZQQPUIPT-JTQLQIEISA-N 297.307 0.680 0 50 CCAA CCOCC(=O)N1CCC[C@@H](n2cc(C(=O)O)nn2)C1 566287537 GUVYXZLGXIFNTP-SECBINFHSA-N 282.300 0.176 0 50 CCAA O=C(O)[C@]1(C(=O)NCc2nc[nH]n2)CC=CCC1 653284854 WMFYRNAGGVZVOW-LLVKDONJSA-N 250.258 0.232 0 50 CCAA COCCn1ncc(C(=O)N[C@@H]2C[C@H](N)C23CCC3)c1C 1615554117 KFRFEEGEZBBJBE-QWHCGFSZSA-N 292.383 0.838 0 50 CCAA Cc1nccc([C@H](C)NC(=O)C2(S(C)(=O)=O)CCC2)n1 1615578677 OGCCGICQLULYQS-VIFPVBQESA-N 297.380 0.930 0 50 CCAA CN(CCn1ccnc1)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 1565512522 SDZYCLJKVKXZIE-MNOVXSKESA-N 265.313 0.842 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CCOC[C@H]1C(=O)O 115146536 DNWUFBGMNUHFDB-VIFPVBQESA-N 272.688 0.604 0 50 CCAA C[C@@H](O)C(=O)N1CCN(CC[C@H]2CCCCN2C)CC1 346171488 RYSWHCOWNGJKKR-ZIAGYGMSSA-N 283.416 0.386 0 50 CCAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)C1(CO)CC1 1704298312 JLCNCTOSYOCCAB-OLZOCXBDSA-N 276.336 0.528 0 50 CCAA Cn1c(=O)[nH]c(=O)c2c1nc1oc(C(C)(C)C)cn12 4317124 HEBOLKNYTXBPOX-UHFFFAOYSA-N 262.269 0.765 0 50 CCAA NC(=O)N1CCCN(C(=O)[C@@]2(C(=O)O)CC=CCC2)CC1 653285652 USUIKQFMJGSLFI-CQSZACIVSA-N 295.339 0.411 0 50 CCAA O=C1NCC[C@@H]1N1CCn2nc(C(F)(F)F)cc2C1 932598337 KWTACLNKVBMSGL-QMMMGPOBSA-N 274.246 0.606 0 50 CCAA CC1=NO[C@H](CNC(=O)NCCC(=O)OC(C)C)C1 864095371 IDLLYVVFUDFMDW-JTQLQIEISA-N 271.317 0.792 0 50 CCAA C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)NO[C@@H]1CCOC1 1875259378 CWDFFTZVFMEFRN-FVCCEPFGSA-N 296.367 0.860 0 50 CCAA Cc1nocc1CC(=O)N[C@@H]1C[C@H](C(=O)O)[C@H]2C[C@H]21 1875277160 ATNWACZEYDMZON-ZRUFSTJUSA-N 264.281 0.751 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@H]1CNC(=O)c2ccccc21 1875379464 QXALRDQCLWNUMZ-ZCRIDZFUSA-N 287.363 0.748 0 50 CCAA CN(C)C(=O)C[C@@H]1CN(c2cccc3nncn23)C[C@H]1O 1875398604 YBFNQHAEMXTRFK-GHMZBOCLSA-N 289.339 0.005 0 50 CCAA C[C@H](C(=O)NS(C)(=O)=O)c1ccc2c(c1)C(=O)NC2 1875382553 GBCQRYLDBHBWKR-ZETCQYMHSA-N 282.321 0.109 0 50 CCAA Cc1coc(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)n1 1875401161 RVLWCVHGPZAUKW-IJLUTSLNSA-N 290.323 0.749 0 50 CCAA C[C@@H](Cn1cccn1)N[C@@H]1CN(C)C[C@H]1c1cncn1C 1775959916 GUAUJDHRKOTJFQ-BFHYXJOUSA-N 288.399 0.693 0 50 CCAA CNC(=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 178460905 KXVLPWSWKSHZJX-NEPJUHHUSA-N 255.362 0.683 0 50 CCAA C[C@H](CN1[C@H]2CC[C@H]1CC(=O)NC2)CS(C)(=O)=O 407949657 VCQQNAFUONHNDB-VWYCJHECSA-N 274.386 0.020 0 50 CCAA O=C(c1cnn2ccccc12)N1CCOC[C@H](CO)C1 77538068 SVUDIZNUCSFJDP-NSHDSACASA-N 275.308 0.415 0 50 CCAA CS(=O)(=O)C1(C(=O)NCc2ncccc2O)CCC1 332455900 HKQVHXYZLYCLBT-UHFFFAOYSA-N 284.337 0.371 0 50 CCAA CCS(=O)(=O)CCN(C)C(=O)[C@@H]1CC12CCNCC2 584884963 FTJCFOZLJLREMB-NSHDSACASA-N 288.413 0.269 0 50 CCAA O=C1C=C(COC(=O)[C@H]2C[C@@H]3CC[C@H](C2)O3)CO1 2325790921 WYGRMKOZDJUBQG-RTCCRHLQSA-N 252.266 0.970 0 50 CCAA CCOC(=O)[C@@H](C)S(=O)(=O)NC(=O)CC(C)(C)OC 2325802100 HSBWCTMZBGRLJB-MRVPVSSYSA-N 295.357 0.199 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@]1(C)CCCC[C@H]1O 859866039 SMDFKVUXWDQESP-RISCZKNCSA-N 268.357 0.688 0 50 CCAA Cc1nc(SCC(N)=O)c(C(N)=O)c(C)c1C 477244 OVOCGGMSAZUBNM-UHFFFAOYSA-N 253.327 0.683 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)COCC(F)(F)F 223833331 MOSUZAREVZTLMQ-ZCFIWIBFSA-N 255.192 0.641 0 50 CCAA Cc1cccc(C(=O)NCCC(=O)N2CCOCC2)c1 9300086 NVPKWWAXQQZLAQ-UHFFFAOYSA-N 276.336 0.974 0 50 CCAA CC(C)(C)OC(=O)NCCCNS(C)(=O)=O 103496823 MWYBZPFTXONDKL-UHFFFAOYSA-N 252.336 0.450 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCOCC1 227224167 WLQTXQUTGJVZDU-AVGNSLFASA-N 296.367 0.563 0 50 CCAA C[C@@H]1CN(C(=O)CN2CCC[C@H]2c2cnn(C)c2)CCO1 245835174 CKVNFCHLEUYABP-OCCSQVGLSA-N 292.383 0.804 0 50 CCAA Cc1ccc([C@H]2COCCN2CCN2C(=O)CNC2=O)o1 116895350 BHJTWBXQJXGAEH-LLVKDONJSA-N 293.323 0.513 0 50 CCAA Cc1cccc(NC(=O)CCNC(=O)[C@H]2COCCO2)c1 67675336 NGVABHLOJWVICA-CYBMUJFWSA-N 292.335 0.855 0 50 CCAA CCc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)n[nH]1 136130720 OYEOAIGTQFSUFU-QMMMGPOBSA-N 251.286 0.909 0 50 CCAA C[C@]1(C(=O)N[C@H]2CCCCNC2=O)CCCCN1 136159269 RCZXFSVTJXNGRG-GXFFZTMASA-N 253.346 0.304 0 50 CCAA COc1ccc([C@@H](O)C(=O)N2CCC(O)(CO)CC2)cc1 67790250 CWVPIBQIZFAKKW-CYBMUJFWSA-N 295.335 0.074 0 50 CCAA COC(=O)c1[nH]c(C)c(C(=O)N2CC(CO)C2)c1C 122659820 MMIWEZANOLEQAV-UHFFFAOYSA-N 266.297 0.482 0 50 CCAA COc1ccnc(CN2C(=O)NC3(CCNCC3)C2=O)c1 77303917 RIVABPHBNJWVIJ-UHFFFAOYSA-N 290.323 0.264 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1n[nH]c2ccccc12 72423992 ZCKGIMXPDKQLOO-SECBINFHSA-N 289.291 0.879 0 50 CCAA O=S(=O)(CC1CC1)NC[C@@H]1CCCCS1(=O)=O 329679959 XPXVJEIBIUSKHR-JTQLQIEISA-N 281.399 0.283 0 50 CCAA Cc1cc(C)c(C(=O)N2CCC[C@@H](O)C2)c(=O)[nH]1 35187383 BMOVAIKDUNZXLL-SNVBAGLBSA-N 250.298 0.589 0 50 CCAA CC[C@@H](O)CC(=O)N1CCNC(=O)[C@H]1CC(C)C 331334565 PUVJLBCVTMRESL-GHMZBOCLSA-N 256.346 0.521 0 50 CCAA C[C@@H](NC(=O)COCC(F)(F)C(F)F)c1ncnn1C 219785082 YQPPCKNZYWQUIX-ZCFIWIBFSA-N 298.240 0.909 0 50 CCAA CC(C)OCCCN1CCO[C@@H](CN(C)CC(=O)O)C1 364013990 UDRSOGDKBCUYBL-ZDUSSCGKSA-N 288.388 0.519 0 50 CCAA CCO[C@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1O 219943193 PFRXYZNHQFSYKP-RYUDHWBXSA-N 275.312 0.248 0 50 CCAA C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cc[nH]c(=O)c1 155923582 WJKZUBVQCIFXFV-ONGXEEELSA-N 266.297 0.299 0 50 CCAA O=C(NCCCn1cnnc1)c1cn(-c2ccccc2)nn1 72126449 WLSUUASNOPVBQF-UHFFFAOYSA-N 297.322 0.679 0 50 CCAA CC1CCC(O)(CN2CC[C@@]3(C2)NC(=O)N(C)C3=O)CC1 369689367 XJWRIXBOSGLGBG-KWCHVYNWSA-N 295.383 0.554 0 50 CCAA O=C([C@H](O)c1ccccc1)N1CCCS(=O)(=O)CC1 369926940 KLVPCRZONMLHKB-GFCCVEGCSA-N 283.349 0.367 0 50 CCAA C[C@@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)[C@H]1C(=O)O 263109408 YHJZWYYSLKCVJO-LDYMZIIASA-N 293.323 0.449 0 50 CCAA O=C(c1ccc(SCCO)cc1)N1CCOC[C@@H]1CO 222969961 HWBIYMHCXKDXKQ-LBPRGKRZSA-N 297.376 0.604 0 50 CCAA Cc1nc(C)c(C)c(N2CCN3CCN(C)C[C@@H]3C2)n1 91651471 PDAGTAXHIKHDOX-CQSZACIVSA-N 275.400 0.838 0 50 CCAA CN(CCCn1cnnn1)Cc1ccc2nonc2c1 244874895 XJDXKSZFIBPQKH-UHFFFAOYSA-N 273.300 0.731 0 50 CCAA COc1cc(CCNC(=O)CNC(N)=O)cc(OC)c1 244748698 OMRNQXJRQTZOTO-UHFFFAOYSA-N 281.312 0.031 0 50 CCAA NC(=O)CN(CCC1CCCCC1)C(=O)[C@H]1C[C@@H]1C(=O)O 299749277 JUKGDYATSLVSAW-RYUDHWBXSA-N 296.367 0.991 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COCCc1ccccc1 299745857 SXUDXWLDUKKHKL-OLZOCXBDSA-N 294.326 0.670 0 50 CCAA COCC(=O)N1CCCN(Cc2nncn2C(C)C)CC1 252489343 JONZXHZZLMRLJU-UHFFFAOYSA-N 295.387 0.540 0 50 CCAA COCC1(CNC(=O)[C@H](C)N2CCCC2=O)CC1 534664693 GUWUQSDZMYHMOB-JTQLQIEISA-N 254.330 0.540 0 50 CCAA Cc1ncnc(C)c1C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 534668585 LEQJZXRSJAYGND-GHMZBOCLSA-N 274.324 0.643 0 50 CCAA Cc1nc[nH]c1C(=O)NCC[C@H](C)N1CCN(C)CC1 534589178 XBYMMPIQGBIHIP-NSHDSACASA-N 279.388 0.474 0 50 CCAA CO[C@H]1COC[C@@H]1NC1CCN(C(=O)C2CCC2)CC1 534675209 HAHLQTUVJIQDQF-KBPBESRZSA-N 282.384 0.781 0 50 CCAA CCc1nccn1CCC(=O)NCc1nnc(N)s1 534582842 KBHRKDZYJATNFB-UHFFFAOYSA-N 280.357 0.586 0 50 CCAA CCCn1cnnc1CNC(=O)CN1C[C@H](C)O[C@H](C)C1 299800827 VWZQJMQCQSDPBK-TXEJJXNPSA-N 295.387 0.414 0 50 CCAA CC(C)n1cnnc1CCNC(=O)COC[C@@H]1CCCO1 299773353 FLWUVINKVSVTQR-LBPRGKRZSA-N 296.371 0.713 0 50 CCAA Cc1ncn(C)c1C(=O)N(C)CCN1CCOCC1 823634069 YBVDYHAAXOAVJM-UHFFFAOYSA-N 266.345 0.133 0 50 CCAA CC(C)N1CC[C@@H](CN(C)CCn2cnnc2)C1 823690196 NAYZBSKWTZUKHJ-ZDUSSCGKSA-N 251.378 0.940 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)CCCN1CCCC1=O 670450514 FIYZTQGWGNOHIU-STQMWFEESA-N 297.399 0.224 0 50 CCAA CN(C)C(=O)[C@H]1CN(CC(=O)N2CCCCCC2)CCO1 670455247 NCENLUSZPQCBFH-CYBMUJFWSA-N 297.399 0.178 0 50 CCAA O=C(Cc1cccnc1)NCCN1CCCC[C@H]1CO 670440507 QGHKJVFTZWIWFX-AWEZNQCLSA-N 277.368 0.587 0 50 CCAA Cc1onc(N)c1S(=O)(=O)NCCc1ccns1 1424553595 UUIVWMKIJVUUHM-UHFFFAOYSA-N 288.354 0.543 0 50 CCAA COc1cccc(CCC(=O)N2CC[C@H](N)[C@@H](O)C2)c1 1565516530 XVYOLJXRHDUBLD-KBPBESRZSA-N 278.352 0.548 0 50 CCAA CC(C)n1ccc(C(=O)NS(=O)(=O)C(C)C)n1 408378139 BYLIAMMLPTYHNH-UHFFFAOYSA-N 259.331 0.932 0 50 CCAA C[C@@H]1[C@@H](N(C)C)CCN1C(=O)[C@@H]1CCCCC(=O)N1 408522836 MJYGNNWAHJWHTM-WOPDTQHZSA-N 267.373 0.596 0 50 CCAA C[C@H]1CS(=O)(=O)CCN1C(=O)N1CCCCC1 219235669 NWOSACFGYRWIFD-JTQLQIEISA-N 260.359 0.711 0 50 CCAA Cc1cc(NC(=O)Cn2nnnc2-c2ccncc2)no1 170593174 JTXYMCWKCWHNSN-UHFFFAOYSA-N 285.267 0.670 0 50 CCAA Cc1noc(CCNC(=O)[C@@H]2CCCO[C@H]2C)n1 190717643 XSTLBALMOBGDJF-WCBMZHEXSA-N 253.302 0.852 0 50 CCAA Cc1nc(Cl)cc(N2C[C@H](CO)C[C@@H]2CO)n1 1776007156 UBTOHVPCLSPEPF-RKDXNWHRSA-N 257.721 0.618 0 50 CCAA O=C1NCCN(C[C@@H]2CCCNC2)C12CCCC2 1506398525 CVNAFTWPOUUPQN-GFCCVEGCSA-N 251.374 0.731 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CN1Cc1ncc(C)s1 225577219 KIFWLFTUPVDCIJ-IUCAKERBSA-N 256.327 0.560 0 50 CCAA Nc1nccc(N2C[C@H](O)[C@H](Cc3ccncc3)C2)n1 1704299429 RPOZAQARZQXXBJ-NEPJUHHUSA-N 271.324 0.494 0 50 CCAA NC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2CO)cc1 229571753 CWMIPHMCLSRQDI-VXGBXAGGSA-N 262.309 0.676 0 50 CCAA CNC(=O)C1(c2nc(-c3nccn3C)no2)CCC1 762113777 JEUSHVDGDBIUQL-UHFFFAOYSA-N 261.285 0.638 0 50 CCAA Cn1ncc2c1CCCN(c1cc(=O)n(C)cn1)C2 581259866 BIKZRUAMQQSDRO-UHFFFAOYSA-N 259.313 0.467 0 50 CCAA Fc1ccc2c(c1)CCc1nnc(Cc3nn[nH]n3)n1-2 1772806684 IGPGDDKVSLGVJG-UHFFFAOYSA-N 271.259 0.609 0 50 CCAA Cc1nccc(CN2CC[C@@]34OCCCN3C(=O)C[C@@H]24)n1 1857728766 CHPWCWNYWLYWJN-HIFRSBDPSA-N 288.351 0.708 0 50 CCAA NC[C@@H]1CN(C(=O)Cc2cccc3c2CCNC3)CCO1 638173362 WOFDVDPUTQRXNG-CQSZACIVSA-N 289.379 0.061 0 50 CCAA OCCn1c(N2CC[C@H](O)[C@H](CO)C2)nc2ccccc21 1875242989 KNHKONHWDWIDQD-FZMZJTMJSA-N 291.351 0.208 0 50 CCAA CCOc1cc(N2CC[C@@](O)(Cn3ccnn3)C2)ncn1 671467327 XGUSIZLFWJJHCW-ZDUSSCGKSA-N 290.327 0.108 0 50 CCAA O=C([C@H]1CCCc2c[nH]nc21)N1CC(=O)N(C2CC2)C1 365778222 OSAJAKVRPDRWNN-NSHDSACASA-N 274.324 0.620 0 50 CCAA C[C@@H]1C[C@@H](C(=O)N2CC[C@](F)(C(=O)O)C2)CCO1 262803422 RZILPDGMPFTJJW-VDDIYKPWSA-N 259.277 0.827 0 50 CCAA CC1(C)[C@@H](N)C[C@@H]1NC(=O)c1ccc(-n2cnnn2)cc1 398346655 PVYNREAUEVNQBG-RYUDHWBXSA-N 286.339 0.518 0 50 CCAA O=C(N[C@H]1COCC[C@@H]1O)c1ccc2nccn2c1 1201281704 FGEIXWOYXRXNKD-QWRGUYRKSA-N 261.281 0.214 0 50 CCAA CCc1noc(C[C@]2(O)CCCN(C(=O)C3CC3)C2)n1 856695193 FJGXOUZXNDGNPD-CQSZACIVSA-N 279.340 0.938 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncccn2)C1 862093055 UINVCLZJDXSMOP-LLVKDONJSA-N 289.339 0.134 0 50 CCAA N=C(N)NC(=O)c1cccc(C(=O)N2CCCCC2)c1 1875287603 QUTXMEIRLBKNQH-UHFFFAOYSA-N 274.324 0.936 0 50 CCAA O=C1CC(C(=O)NCc2ccnc(C3CC3)c2)=NN1 1875258799 BQDLWVMOSHIQEE-UHFFFAOYSA-N 258.281 0.451 0 50 CCAA COC(=O)/C=C/CNC(=O)CN(C)Cc1ccccc1 1875333502 YCOBADXVINWXSY-RMKNXTFCSA-N 276.336 0.964 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 1875376968 OHXHDSZQVZOCDD-PGLGOXFNSA-N 267.329 0.204 0 50 CCAA COCC[C@H](C)NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C 886095108 LQZOHNHHLCWPCQ-QEJZJMRPSA-N 296.415 0.806 0 50 CCAA CCC(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C 888098939 NNNLRDFLMXRACD-GHMZBOCLSA-N 280.372 0.746 0 50 CCAA OC[C@H]1CN(Cc2nc(-c3ccco3)no2)CC[C@H]1O 396820608 XFTWDEUANHYOSM-NXEZZACHSA-N 279.296 0.505 0 50 CCAA C[C@H]1C[C@@H](C(=O)O)CN(C(=O)NCCn2cccn2)C1 399084850 UVKRVCKJFGUWCK-WDEREUQCSA-N 280.328 0.635 0 50 CCAA Cc1ncc(C(=O)N=c2[nH][nH]c(C)c2Cl)c(O)n1 2100545466 WOIGRRQJUWUODK-UHFFFAOYSA-N 267.676 0.850 0 50 CCAA COC1(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)CCCC1 333782571 BYLJYNZVJDOHHB-RYUDHWBXSA-N 268.357 0.535 0 50 CCAA COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 556251 LABXQKPQFSMXPS-NSHDSACASA-N 294.282 0.329 0 50 CCAA N=c1ccc(-c2cnc3c(N4CC[C@H](O)C4)nccn23)c[nH]1 2356143827 AEDMUHHSRQOKQB-NSHDSACASA-N 296.334 0.775 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)NCC(F)(F)CO 346549424 BUUUHKRNLCYHIT-BDAKNGLRSA-N 251.273 0.935 0 50 CCAA CC(C)(C)OC(=O)N1CC2(CNC[C@@H]2C(=O)O)C1 307696120 CJLPPRCRWGZAHJ-MRVPVSSYSA-N 256.302 0.528 0 50 CCAA Nc1ccc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)cn1 215331213 QRKLVRARCDNXCL-LBPRGKRZSA-N 288.351 0.891 0 50 CCAA C[C@H](Nc1ncnc2c1CCNCC2)c1nnc(N)s1 72475305 FKVUPXVVDGDXBL-ZETCQYMHSA-N 291.384 0.772 0 50 CCAA N[C@@H]1CC[C@@H]1NC(=O)c1cnc(-c2cccnc2)nc1 72431104 QLTQLQFWCRQMIW-NEPJUHHUSA-N 269.308 0.758 0 50 CCAA CCCc1occc1C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 253394706 AMOQOSRQKVXPGH-AAEUAGOBSA-N 292.335 0.962 0 50 CCAA O[C@H]1CCC[C@@H]1N1CCN(c2ncnc3[nH]ccc23)CC1 360277642 BFTKVGTVQCSLGS-STQMWFEESA-N 287.367 0.993 0 50 CCAA O=C1C[C@@H](C(=O)N2CC[C@H](N3CCCC3)C2)CCN1 153392926 JLCLUIBXPFVLEY-RYUDHWBXSA-N 265.357 0.209 0 50 CCAA CCn1nncc1C(=O)N(CCOC)[C@H]1CCO[C@H]1C 329039027 ZRVCEWSEMNATFO-QWRGUYRKSA-N 282.344 0.564 0 50 CCAA Cc1nc(NCCn2ccnn2)cc(C2CC(O)C2)n1 219289068 IEJSZBBHRDXLSI-UHFFFAOYSA-N 274.328 0.727 0 50 CCAA CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)C2CC2)C1 213416533 JAVMQPNYKPLAJL-VIFPVBQESA-N 260.359 0.279 0 50 CCAA CN(C)[C@H]1CN(Cc2cnc(-c3ccco3)nc2)C[C@@H]1O 72407563 DQSZNLVTNYMXHS-STQMWFEESA-N 288.351 0.843 0 50 CCAA C[C@@H](NCc1ccc(OCCN(C)C)cc1)C(N)=O 32590334 QXSKTAGNCHVWGH-LLVKDONJSA-N 265.357 0.590 0 50 CCAA COc1cccc2c1CC[C@H]2NC(=O)CS(C)(=O)=O 330950015 CUGBSWDXCIZZBB-LLVKDONJSA-N 283.349 0.843 0 50 CCAA CCc1nccn1CCCNC(=O)CNC(=O)N(C)C 219371004 FLJPPZKGDFBLIJ-UHFFFAOYSA-N 281.360 0.223 0 50 CCAA CSC[C@@H](C)C(=O)N1CCC(O)(C(=O)O)CC1 262528842 SEPBIMUVXRNZHS-MRVPVSSYSA-N 261.343 0.424 0 50 CCAA CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2C(C)C)cn1 332025917 VALOSUYXXIWQOT-LLVKDONJSA-N 297.380 0.860 0 50 CCAA CSCC[C@H](O)C(=O)NCc1cnc2cnccn12 216127727 YISXZWKUOPACLX-JTQLQIEISA-N 280.353 0.460 0 50 CCAA CC(C)[C@H](N)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 236722516 STYJQFYBHRTBOY-NEPJUHHUSA-N 265.361 0.500 0 50 CCAA COc1cc(S(=O)(=O)NCCCO)c(C)cc1C 41095916 NQBZMYMBJLIXJR-UHFFFAOYSA-N 273.354 0.973 0 50 CCAA CN(C)Cc1cccc(C(=O)NCCCc2nn[nH]n2)c1 426392741 HNXYZWINYLRNCC-UHFFFAOYSA-N 288.355 0.624 0 50 CCAA CCO[C@H](C)C(=O)NCCN=c1cc[nH]cc1C 426640520 PQFPTYMTRCZABU-LLVKDONJSA-N 251.330 0.765 0 50 CCAA CC(C)[C@H](CO)NC(=O)c1ccc(Cn2cnnn2)cc1 230213582 LMGGGUINKZCUFH-ZDUSSCGKSA-N 289.339 0.468 0 50 CCAA CC(C)(C)N1C[C@H](C(=O)NCCCn2ccnn2)CC1=O 91973909 NOTYSBSTZJJAHW-LLVKDONJSA-N 293.371 0.431 0 50 CCAA Cc1nn(C)c2nc(NCCOCCO)sc12 95531824 BGRJBSAFEZSGDR-UHFFFAOYSA-N 256.331 0.759 0 50 CCAA O=C(Cn1ccccc1=O)N[C@@H]1c2ccccc2C[C@H]1O 97578741 LBXLKXXFYPBMBV-CZUORRHYSA-N 284.315 0.623 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)c1ccccc1 236816235 VFRURYMCBARRQA-QWHCGFSZSA-N 290.319 0.939 0 50 CCAA COC(=O)c1ccc(NC(=O)N[C@@H]2CCNC2=O)cc1 95510203 YSFKYQNNOKGCSS-SNVBAGLBSA-N 277.280 0.483 0 50 CCAA CC[C@@H](NC(=O)CCN1CCOCC1)c1ncnn1CC 534645384 LCMVLOCIIZAIKC-GFCCVEGCSA-N 295.387 0.588 0 50 CCAA Cc1cnc([C@@H](C)NC(=O)CCCn2cnnn2)[nH]1 534631150 GVBCXRITUIGGAR-SECBINFHSA-N 263.305 0.362 0 50 CCAA CC(C)C[C@H](NS(=O)(=O)N(C)C)c1ncnn1C 534645938 IBPMXVIMLDBFLW-VIFPVBQESA-N 275.378 0.298 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cnc(O)cn1 299771003 XUPXATNNKLMTLM-QWRGUYRKSA-N 280.328 0.020 0 50 CCAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@H]1NCCc3nc[nH]c31)C2 584886985 OHTFLVDKXCBHQS-GIFSMMMISA-N 290.367 0.480 0 50 CCAA CCCOC[C@H]1CCN(C(=O)CN2CCOCC2)C1 584899831 HMOSFZKPMQQFSL-ZDUSSCGKSA-N 270.373 0.594 0 50 CCAA N[C@@H]1CNCC[C@@H]1[C@H]1CC[C@@H](C(F)(F)F)NC1 757215684 WYYGDDNDDMKZKV-JLIMGVALSA-N 251.296 0.854 0 50 CCAA C[C@@H](CN1CCOCC1)Cn1nnc(-c2ccncn2)n1 1413932022 KUXJRCCFRRXVDS-NSHDSACASA-N 289.343 0.098 0 50 CCAA C=CC(=O)NCCNC(=O)c1ccn(CC(F)(F)F)n1 1335791050 XWCDYFZSVZOFPN-UHFFFAOYSA-N 290.245 0.477 0 50 CCAA C[C@H](NS(=O)(=O)C[C@@H]1CCCCO1)c1nncn1C 407971082 GJNFOWUQKXWZIL-UWVGGRQHSA-N 288.373 0.365 0 50 CCAA CO[C@@H]1CCC[C@@H](CC(=O)N2CCS(=O)(=O)CC2)C1 408310422 RUYOPTCLJYGQRO-VXGBXAGGSA-N 289.397 0.839 0 50 CCAA C[C@@H]1O[C@H](C)C[C@H]1C(=O)N=c1ccn(CC(=O)O)[nH]1 630136015 VRSMNKIROUOREL-HRDYMLBCSA-N 267.285 0.142 0 50 CCAA Cn1cnnc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 631803724 HZFFHFKHYWJCHI-LLVKDONJSA-N 299.400 0.064 0 50 CCAA C[C@@](CO)(NCC1(CO)COC1)C1CCCCC1 170660766 IYBHCSBYQSDPDY-ZDUSSCGKSA-N 257.374 0.916 0 50 CCAA CNC(=O)C1CCN(C(=O)C2(C(=O)O)CC=CC2)CC1 663070024 KLLMQMAOIQKBSA-UHFFFAOYSA-N 280.324 0.392 0 50 CCAA CC[C@H](C(=O)O)N1CCN(Cc2ccon2)CC1 191435760 FUBLIZNOKUKQQI-LLVKDONJSA-N 253.302 0.655 0 50 CCAA CN1CC[C@@](O)(CNCc2cc3cnccc3o2)C1 651762746 MOCPBKQAABBKBL-CQSZACIVSA-N 261.325 0.984 0 50 CCAA C[C@H]1[C@H](C(N)=O)CC[C@@H](C)N1C(=O)[C@H]1CCCO1 585125230 KVEGCRJMLYFSAX-LMLFDSFASA-N 254.330 0.666 0 50 CCAA CC(C)(C)[C@H]1CCN(CC(=O)N=S(C)(C)=O)C[C@@H]1O 585117036 PMHGJQTZPYKISU-QWRGUYRKSA-N 290.429 0.970 0 50 CCAA C[C@@H](CN(C)C(=O)c1cc(O)ccc1N)N1CCOCC1 1506431204 DUWSDOQENXDGDW-NSHDSACASA-N 293.367 0.767 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1cnsc1 1857693459 XQCLFBROKYTGAR-RKDXNWHRSA-N 251.311 0.693 0 50 CCAA Nc1ncccc1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529158787 LYNABNKQZJJBIR-TZMCWYRMSA-N 285.351 0.489 0 50 CCAA CCS(=O)(=O)CCNc1ncc(C)c(N(C)C)n1 1704337440 YPBUYQSQTVFEFE-UHFFFAOYSA-N 272.374 0.698 0 50 CCAA O=C(O)c1ccc(N2C(=O)C=CC2=O)cc1C(=O)O 4204087 TVCWROCCGJJZDF-UHFFFAOYSA-N 261.189 0.512 0 50 CCAA in-vitro O=C(O)CCNS(=O)(=O)c1ccc2c(c1)C(=O)CCO2 457350969 WGYYDPRONFKXAX-UHFFFAOYSA-N 299.304 0.405 0 50 CCAA Cc1cccnc1C(=O)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704332569 STJOQLVPYLUGKL-OKILXGFUSA-N 290.275 0.392 0 50 CCAA C[C@H]1CCCCN1CCN(C)c1nnc(CCN)o1 1772811671 XDWXFNLJKGOANE-NSHDSACASA-N 267.377 0.881 0 50 CCAA O=C(Cn1nc2ccccc2n1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775982932 VKFFXLUXVIIRBW-GDNZZTSVSA-N 286.335 0.661 0 50 CCAA COCC(=O)N[C@@H]1CCCc2nc(N(C)C)ncc21 12112353 WBZBWLXKGPGWMB-SNVBAGLBSA-N 264.329 0.683 0 50 CCAA CCCC[C@@H](CO)NC(=O)C(=O)N[C@@H](CO)CCCC 16309785 XBTICJVZGBSWDU-TXEJJXNPSA-N 288.388 0.321 0 50 CCAA O=C([C@@H]1CCc2ncnn2C1)N1CCc2ncccc2C1 1857721691 BLAASVPSEJHZTO-GFCCVEGCSA-N 283.335 0.820 0 50 CCAA C[C@]1(O)C[C@@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 622721042 ZZUPZYAYOUOOQC-GSJFWJNXSA-N 273.296 0.306 0 50 CCAA COc1ccc(C(=O)N[C@@H]2CCc3nc(C)nn3C2)cn1 263943929 YBVRWIHQQZXCFH-LLVKDONJSA-N 287.323 0.735 0 50 CCAA CC[C@H]1C(=O)NCCCN1C[C@@H](O)CC1(O)CCCC1 933232506 BRUJVVISEGTWQZ-STQMWFEESA-N 284.400 0.643 0 50 CCAA CN1C(=O)CC[C@@H]1CNC(=O)c1cc(O)nc(C2CC2)n1 1875306852 DPGLRQPGFUXADU-SECBINFHSA-N 290.323 0.410 0 50 CCAA CCCN1C[C@H](CNC(=O)N2C[C@@H](O)C3(CC3)C2)CC1=O 1775993264 XXCOAEFSMVSRKE-NWDGAFQWSA-N 295.383 0.411 0 50 CCAA C[C@H](CS(C)(=O)=O)N(Cc1cncn1C)C1CC1 177074184 SJQZUBUCDAWSEL-SNVBAGLBSA-N 271.386 0.818 0 50 CCAA COCCN(C)C(=O)[C@@H]1CNC[C@H]1C(F)(F)F 299741352 FEVMHOZLEVUFNX-HTQZYQBOSA-N 254.252 0.489 0 50 CCAA O=C(c1ccncc1F)N1CC[C@@H](c2nn[nH]n2)C1 720609382 QAVARHAOJPGIRM-SSDOTTSWSA-N 262.248 0.364 0 50 CCAA O=C(Cc1cn2ccsc2n1)N1C[C@@H](O)[C@H](F)C1 952971375 DBKFAZZUIGRYMW-RKDXNWHRSA-N 269.301 0.480 0 50 CCAA O=C(NCC(=O)N1CCOCC1)C1CCCCC1 1467818 TZNHHPUSOZJZBF-UHFFFAOYSA-N 254.330 0.542 0 50 CCAA COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)cc1 101356453 FJXUOWFMTARRJB-FDYHWXHSSA-N 299.282 0.916 0 50 CCAA Cc1cccc(N([C@@H](C)C(N)=O)S(C)(=O)=O)c1 65361935 FEBBYUYHTXSRDV-VIFPVBQESA-N 256.327 0.635 0 50 CCAA CN/C(C)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 22589654 JVOBCISKOAJCTO-LUAWRHEFSA-N 273.292 0.758 0 50 CCAA Cn1c(C(=O)N2CCNC(=O)C2)cc2ccccc21 36359275 HJYDBIBBUOSVCU-UHFFFAOYSA-N 257.293 0.750 0 50 CCAA Cc1cc(S(=O)(=O)NC[C@@H](O)C(=O)O)sc1Cl 231807420 SKIPGIPTYDXLET-RXMQYKEDSA-N 299.757 0.434 0 50 CCAA Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)c(O)n1 262485247 BBUIBEDYCOUIIF-BDAKNGLRSA-N 264.281 0.741 0 50 CCAA CCn1ccnc1C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 330133827 MDRNAQHRYGOIOJ-MHNGPXOMSA-N 269.370 0.885 0 50 CCAA CN(C)[C@H]1CCCN(C(=O)c2ccc3nnnn3c2)CC1 72149565 NWGJVTIXWXQMPA-LBPRGKRZSA-N 288.355 0.681 0 50 CCAA CC(C)=C(F)C(=O)N1CCO[C@H](CN(C)CC(=O)O)C1 370630219 GCOIDQAUIFRVQG-SNVBAGLBSA-N 288.319 0.494 0 50 CCAA O[C@H](CN1CCOCC1)CN1CCC(c2cnc[nH]2)CC1 372169902 QAPSZKWBSZXDPJ-AWEZNQCLSA-N 294.399 0.282 0 50 CCAA O=S(=O)(NC[C@H]1C[C@H]2C=C[C@H]1CC2)C1COC1 333551738 PJDGEEMNDINVKG-GARJFASQSA-N 257.355 0.907 0 50 CCAA Cc1nncn1CCNC(=O)[C@@H]1Cc2ccccc2CN1 237555423 MXHXAYPITFJELT-AWEZNQCLSA-N 285.351 0.417 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc2nc[nH]c2n1 282253838 SSLHJRMTERUPPG-JGVFFNPUSA-N 273.296 0.355 0 50 CCAA CCO[C@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1O 223928145 PHAVOORXMIGBFB-RYUDHWBXSA-N 267.329 0.272 0 50 CCAA CC1=C[C@H](C)CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 336455747 LWMOLZOCKXCJOI-GXSJLCMTSA-N 272.370 0.781 0 50 CCAA CNS(=O)(=O)NC[C@H](O)c1c(F)cccc1Cl 285876507 FKTCOHBXBTVGOE-QMMMGPOBSA-N 282.724 0.566 0 50 CCAA CC(=O)N[C@@H](C(=O)N1CC[C@H](N)C1)C1CCCC1 132273096 CUHSNWRXOBBSKH-NWDGAFQWSA-N 253.346 0.241 0 50 CCAA NS(=O)(=O)c1cc(C(=O)N(CC(F)F)C2CC2)co1 339972574 IZXOZNIZQGJSAY-UHFFFAOYSA-N 294.279 0.797 0 50 CCAA Cc1nn(C)c(C(=O)NCCCn2ccnn2)c1Cl 426381400 FHLLRARIFUDVCG-UHFFFAOYSA-N 282.735 0.794 0 50 CCAA Cc1nsc(N2CCN(C(=O)C[C@H]3CCCN3)CC2)n1 178820451 DBHYAGDNHHOIBO-LLVKDONJSA-N 295.412 0.637 0 50 CCAA Cc1ccccc1OC1CN(C(=O)C[C@H]2COCCN2)C1 92028617 RJFIXDQNGUIJSE-ZDUSSCGKSA-N 290.363 0.963 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N1CC[C@H]1C(=O)O 95503332 RBAAHIOBAGTYEL-VIFPVBQESA-N 264.285 0.150 0 50 CCAA CCCn1ncc(C(=O)N2CCNC(=O)C2)c1C 91305430 VFYWLWYWFFALIO-UHFFFAOYSA-N 250.302 0.174 0 50 CCAA COC(=O)c1cn(CCC(=O)O)cc2c(O)nnc1-2 524732321 LEFPLHUNWKNLBH-UHFFFAOYSA-N 265.225 0.350 0 50 CCAA CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)C[C@@H]1CCCO1 182512657 LOWPCGFDEGECEQ-JGVFFNPUSA-N 291.291 0.350 0 50 CCAA Cc1ccccc1CN(C)C(=O)CN1CCCS1(=O)=O 298656207 PSOBIYNUUWNADR-UHFFFAOYSA-N 296.392 0.989 0 50 CCAA NC(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2N)C1 299738532 CAGOCBQMOMPFPK-HBNTYKKESA-N 253.346 0.228 0 50 CCAA NC[C@H]1CCN(C(=O)CCN2CCCCCC2=O)C1 534580446 NJCDOXYIBHWIAM-GFCCVEGCSA-N 267.373 0.586 0 50 CCAA Cc1cc2nc(C(=O)NC[C@H]3CNCCO3)cc(C)n2n1 534670142 FQCBMQMMHAKRGO-LLVKDONJSA-N 289.339 0.064 0 50 CCAA CC(C)[C@@H](c1ncnn1C)n1cnc2nccnc2c1=O 584894540 PAAXMPSUULELGZ-JTQLQIEISA-N 285.311 0.560 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)Cn2ccnc2C)C1 670469590 DLWPUSHDTQRPPO-NSHDSACASA-N 264.329 0.176 0 50 CCAA C=CC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 1338388845 CGPSDPLJMINMJN-UHFFFAOYSA-N 296.348 0.370 0 50 CCAA CN(C)c1ncc(CNCCN2CCC[C@H](CO)C2)cn1 952973308 YFLKZOGNAKGNQA-ZDUSSCGKSA-N 293.415 0.337 0 50 CCAA COC[C@@H]1CCC[C@@H]1NC(=O)Cn1cc(C)c(O)nc1=O 1565514281 CKINAWNHELBYFT-QWRGUYRKSA-N 295.339 0.189 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCc1cn[nH]c1 1565516825 SBHINCCEVQUCON-GHYVTOPFSA-N 278.356 0.176 0 50 CCAA CCn1ncc2ncn(Cc3cc(C)ncn3)c(=O)c21 631019878 VLURJHBYOPTKQN-UHFFFAOYSA-N 270.296 0.760 0 50 CCAA COC(=O)[C@H](C)CN1CCO[C@@H](c2nc(C)n[nH]2)C1 170616862 RRELXGGZBYJMJK-PSASIEDQSA-N 268.317 0.296 0 50 CCAA OC[C@@H]1[C@H]2CN(Cc3ccnn3-c3ccncc3)C[C@H]21 668185881 WXZMLDXDRAZGIJ-FICVDOATSA-N 270.336 0.937 0 50 CCAA O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc2c(c1)B(O)OC2 584962798 KTRIWUFDSUHLTP-MJHDQNEOSA-N 289.140 0.185 0 50 CCAA Cn1nccc1[C@@H](CO)NC(=O)CCc1cncc(F)c1 1614646713 XOGIFPOTUCOCMP-GFCCVEGCSA-N 292.314 0.737 0 50 CCAA CN(Cc1c(F)cccc1F)[C@H]1CS(=O)(=O)C[C@@H]1O 1615623363 PEIHTEVVXWYKHU-RYUDHWBXSA-N 291.319 0.555 0 50 CCAA Cc1ncc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c(C)n1 1616034364 JKYPAXVUFQIKAZ-VXGBXAGGSA-N 278.400 0.980 0 50 CCAA Cc1cccn2cc(C(=O)N3CC[C@@H](CO)[C@@H](O)C3)nc12 215594379 FYFUIMZTEZANMQ-AAEUAGOBSA-N 289.335 0.458 0 50 CCAA CNC(=O)CN(C)C[C@H]1CCC(=O)N(C(C)C)C1 1775983568 NNLKAEQQZBMVEQ-LLVKDONJSA-N 255.362 0.311 0 50 CCAA CC(C)n1nccc1C(=O)N[C@H](C)Cn1cncn1 153342676 MMKXNALDYHCUMO-SNVBAGLBSA-N 262.317 0.874 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CCO[C@H]3C[C@H](CO)C[C@@H]32)o1 1857723931 CSBAPHIAWWZVTA-WXHSDQCUSA-N 293.319 0.560 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1ncnn1CC(C)C 643878521 WRRPCFHZWJFLDV-CQSZACIVSA-N 296.371 1.000 0 50 CCAA O=C(O)[C@@H]1CSC2(CCC3(CC2)OCCO3)N1 3883848 JBVLAMYDJYTIBB-QMMMGPOBSA-N 259.327 0.789 0 50 CCAA in-vitro CN(C[C@@H]1CCn2ccnc2C1)C(=O)Nc1ccn(C)n1 328640590 XNIXROPDDQSVQV-LLVKDONJSA-N 288.355 1.343 0 50 CCAA Cn1cc([C@@]2(C)CN(C(=O)[C@H]3CCCCN3)CCO2)cn1 237710476 AXLZDFUKMWSYDO-UKRRQHHQSA-N 292.383 0.636 0 50 CCAA CC[C@H]1C(=O)NCCN1Cc1csc(CN(C)C)n1 585117804 XHBZPFYKCCTAOH-NSHDSACASA-N 282.413 0.915 0 50 CCAA CN1CCC[C@]2(CO)CCN(c3nccc(N)n3)C[C@@H]12 1704326142 YKNOQGSVZXBQMY-BXUZGUMPSA-N 277.372 0.342 0 50 CCAA COc1cc(O)ncc1C(=O)N(CC(=O)O)C1CCC1 907719636 RKXDRDHTFOWGMI-UHFFFAOYSA-N 280.280 0.875 0 50 CCAA CC/C(C)=C/C(=O)N1CCC[C@@]1(COC)C(N)=O 818380286 FZJWATCMTXVJEF-AORWBKJGSA-N 254.330 0.836 0 50 CCAA CC(C(=O)N1CCC[C@@](O)(CC(N)=O)C1)=C1CCC1 818463764 GHGRYZLIOXNNOF-CQSZACIVSA-N 266.341 0.716 0 50 CCAA CC[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)c1nnnn1C 1122037349 JNPVKBLIWBIMFZ-HLTSFMKQSA-N 268.321 0.138 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H]1COc2ccccc2C1 858480645 YSHDRHFHCFSKIO-LBPRGKRZSA-N 274.320 0.751 0 50 CCAA Nc1nc(O)cc([C@@H]2CCN(C(=O)C3(F)CC3)C2)n1 864842476 IIPASKKMBAAZRH-SSDOTTSWSA-N 266.276 0.582 0 50 CCAA NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(c2ncccn2)CC1 952890454 UNHQYVIRKNVOPZ-CHWSQXEVSA-N 290.367 0.974 0 50 CCAA Cc1cc(OC(F)F)c(C(=O)NC[C@@H](O)CN)s1 888096723 ODVCEWUFXRGYQU-LURJTMIESA-N 280.296 0.707 0 50 CCAA CC(C)N1CC[C@H](NC(=O)c2ccc(C(=O)O)o2)C1=O 236832447 QCEXZNWYUSOICD-QMMMGPOBSA-N 280.280 0.717 0 50 CCAA COc1cccc(CN2CCN(S(C)(=O)=O)CC2)c1 19565361 CREPYECIYDYGTG-UHFFFAOYSA-N 284.381 0.772 0 50 CCAA O=C(c1cnn2c(=O)cc[nH]c12)N1CCOCC12CCC2 1776002160 IVESOXADJZMCAH-UHFFFAOYSA-N 288.307 0.418 0 50 CCAA COC[C@@H]1CCN(c2nc(O)c3cnn(C)c3n2)C1 1318770322 CBWMTDBTSKGJTN-MRVPVSSYSA-N 263.301 0.542 0 50 CCAA CNc1nc(C(=O)NCCc2cnn(C)c2)cs1 154695792 QSCIMMQWIUQOAK-UHFFFAOYSA-N 265.342 0.891 0 50 CCAA CCc1ocnc1C(=O)N1CCO[C@@H](C(=O)O)C1 262918313 DPSQUFWFFJPDKN-MRVPVSSYSA-N 254.242 0.163 0 50 CCAA C[C@H](O)C[C@@H]1CCCCCN1CCS(=O)(=O)N(C)C 311717242 TWRWLSSLVZSFME-STQMWFEESA-N 292.445 0.893 0 50 CCAA O=C1NCCC12CCN(c1ccnc(CO)c1)CC2 872639630 QKHDGYAHUNTAFR-UHFFFAOYSA-N 261.325 0.680 0 50 CCAA CC1=C(C(N)=O)[C@@H](c2cccc(F)c2)N2NC=NC2=N1 4694715 ZRQCOYHXZBDEQV-LLVKDONJSA-N 273.271 0.844 0 50 CCAA CC(=O)n1cc(C2C(=O)NC(=O)NC2=O)c2ccccc21 2842590 HOHYDMVDMASPPY-UHFFFAOYSA-N 285.259 0.751 0 50 CCAA Cc1ccccc1NC(=O)CC(=O)N1CCC[C@H]1C(N)=O 55309399 COWHTBDXFRUTCM-LBPRGKRZSA-N 289.335 0.800 0 50 CCAA Cn1c(=O)oc2ccc(NC(=O)N3CCOCC3)cc21 62179572 NAKXNIKHGFQIAN-UHFFFAOYSA-N 277.280 0.996 0 50 CCAA CCOC[C@H](O)CS(=O)(=O)Cc1ccccc1 23114749 GOQXFSYIXQXYJO-LBPRGKRZSA-N 258.339 0.999 0 50 CCAA CNC(=O)c1ccc(-c2nc3c([nH]2)CCCNC3=O)o1 65489465 OYTMZGPSNXQIPK-UHFFFAOYSA-N 274.280 0.705 0 50 CCAA CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H](O)CO 1363662770 HSRUOSPJDBMRKI-KOLCDFICSA-N 271.288 0.453 0 50 CCAA COC(=O)[C@@]12CNC[C@H]1CN(C(=O)OC(C)(C)C)C2 309835336 IJSXTUMCGDQTGI-TVQRCGJNSA-N 270.329 0.616 0 50 CCAA O=c1c(N2CC(n3ccnn3)C2)nccn1C1CC1 329533098 KEKJSNQDFYQNRM-UHFFFAOYSA-N 258.285 0.231 0 50 CCAA Cc1nn(Cc2n[nH]c(=O)n2CCC(=O)O)c(C)c1C 71777239 XJUBKCNKRFNQEC-UHFFFAOYSA-N 279.300 0.216 0 50 CCAA Cn1cnc2c1CCN(C[C@H](O)COC[C@H]1CCCO1)C2 257365293 FKJZPPHFAWNVRX-QWHCGFSZSA-N 295.383 0.335 0 50 CCAA CCCc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)[nH]n1 236898897 RBBLLJUABRNXQB-SNVBAGLBSA-N 267.285 0.288 0 50 CCAA O=C(Nc1nncs1)[C@H](c1ccccc1)n1cnnn1 36360281 OWUCAXOQBPLJGH-VIFPVBQESA-N 287.308 0.753 0 50 CCAA C[C@H](N)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 237627748 UPVKOGMJZDBYMG-YUMQZZPRSA-N 253.268 0.429 0 50 CCAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)Cc1cccs1 223082805 GKYIMVKKLSTWEY-MNOVXSKESA-N 299.348 0.666 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2nc3ccccc3n2C)C1 284694969 YFXTWUOCXDODGI-CABZTGNLSA-N 274.324 0.652 0 50 CCAA Cc1nc[nH]c1CSCCNC(=O)c1cncc(=O)[nH]1 426621529 BJBDRHCIMCORNG-UHFFFAOYSA-N 293.352 0.465 0 50 CCAA O=C(O)CNC(=O)N1CCCC[C@@H]1CCn1cccn1 426490755 TYAYKGDTEZFLSS-LLVKDONJSA-N 280.328 0.922 0 50 CCAA CN(C)[C@@H]1[C@@H](NC(=O)c2ccncc2O)[C@H]2CCO[C@H]21 222726186 JIZRQDFVSURDHL-GWNIPJSYSA-N 277.324 0.235 0 50 CCAA Cc1[nH]nc(C(=O)N(C)C[C@@H]2COCCO2)c1Cl 426651954 DBJHREIXPGKQMD-MRVPVSSYSA-N 273.720 0.859 0 50 CCAA Cc1cc(C(=O)N2CCC[C@H](O)CC2)c(=O)n(C)c1C 426712149 NUGCHGPXSTXLDG-LBPRGKRZSA-N 278.352 0.989 0 50 CCAA COC(=O)c1n[nH]c2c1CN(c1nccc(C)n1)CC2 95376451 VQJJCKYMIFPKAE-UHFFFAOYSA-N 273.296 0.857 0 50 CCAA CCOCCCNC(=O)c1cnc(C2CC2)[nH]c1=O 97099213 YRDXOBIMZORLRL-UHFFFAOYSA-N 265.313 0.804 0 50 CCAA COCCn1ccnc1CN1CCN([C@H]2CCNC2)CC1 97446857 NNAFWDZZRFAGHF-AWEZNQCLSA-N 293.415 0.009 0 50 CCAA CNC(=O)c1noc(CNc2nc(C)nc(C)c2C)n1 91625136 JRVGDNPUSQJNNJ-UHFFFAOYSA-N 276.300 0.757 0 50 CCAA CN1CCN(C)[C@H](CC(=O)NCc2ccoc2)C1 244853085 VEYGWKWVJXSAQO-GFCCVEGCSA-N 251.330 0.532 0 50 CCAA CN1C(=O)C[C@@H](C(=O)NCCCc2ncc[nH]2)C1(C)C 244852730 UXOHISHYOPYTDX-JTQLQIEISA-N 278.356 0.715 0 50 CCAA O=C(NCC(=O)N1CCOCC1)Nc1cccnc1 183077083 MXCGOJYBQINQOA-UHFFFAOYSA-N 264.285 0.062 0 50 CCAA O=C(COC[C@@H]1CCCO1)NCCn1cc(Cl)cn1 252478222 AFTIIZAFYOMWMF-NSHDSACASA-N 287.747 0.848 0 50 CCAA O=C(NC[C@H](O)c1ccccc1Cl)[C@@H]1C[C@H](O)CN1 299747978 FQXKUAKRMBIXFE-UWJYBYFXSA-N 284.743 0.212 0 50 CCAA COCCn1nc(C)c(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1C 299751085 PKZUITYBDXLNFU-MNOVXSKESA-N 295.339 0.483 0 50 CCAA O=C(c1nc[nH]n1)N1CCC[C@@H](C(=O)N2CCCC2)C1 543760961 QYVIXWIXYLMWDX-SNVBAGLBSA-N 277.328 0.279 0 50 CCAA NC(=O)NCC(=O)NCC[C@@H]1CCCCN1C1CCCC1 827838692 CFWOVPLCJKAMTI-ZDUSSCGKSA-N 296.415 0.958 0 50 CCAA CCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cn[nH]c1 823086695 VIFZKGXBJHYLRO-JTQLQIEISA-N 273.358 0.989 0 50 CCAA Cc1cnc(CN2CCC(CO)(CN(C)C)CC2)[nH]1 584897572 GOBVEBJTNIHYCB-UHFFFAOYSA-N 266.389 0.854 0 50 CCAA Cc1cnc(CN(C)C(=O)N[C@H](C(=O)N(C)C)C(C)C)[nH]1 584887332 BMZBBICRBMWNBJ-LBPRGKRZSA-N 295.387 0.972 0 50 CCAA CCCc1noc(CN(C)C[C@@H]2COCCO2)n1 15065907 NNZFNHHWVZEHQY-SNVBAGLBSA-N 255.318 0.869 0 50 CCAA COc1cc(OC)nc(NCCN2CCC[C@H](CO)C2)n1 952965102 DBOWZNLNBHIQOV-NSHDSACASA-N 296.371 0.610 0 50 CCAA Cc1nc2ncnn2c(N[C@@H]2C[C@H](C(=O)O)C[C@@H]2O)c1C 662895215 CIFPZEDLTOWQNO-AEJSXWLSSA-N 291.311 0.377 0 50 CCAA C[C@@H]1CCN(S(=O)(=O)C[C@H]2CN(C)CCO2)C[C@@H]1C 632165039 UVZSZLILNLXSEP-FRRDWIJNSA-N 290.429 0.625 0 50 CCAA Cc1c(CNc2nc(N)c3cnn(C)c3n2)cnn1C 276626350 VNNWJPZHLJDTNA-UHFFFAOYSA-N 272.316 0.600 0 50 CCAA O=C1CCCN1[C@H]1CCN(c2ncnc3nc[nH]c23)C1 276847202 XGNVZXUYBQEFEH-VIFPVBQESA-N 272.312 0.554 0 50 CCAA O=c1sccn1Cc1nnnn1CC1CCOCC1 277600066 WSNOFJRUKIPTEA-UHFFFAOYSA-N 281.341 0.371 0 50 CCAA O=C(Nc1cc2ccccn2n1)N1C[C@H](O)C[C@H]1CO 672802426 RIPGITMBNQRXJR-WDEREUQCSA-N 276.296 0.294 0 50 CCAA C=CC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 585124512 GIDVIXWIXCMGSM-NSHDSACASA-N 251.307 0.958 0 50 CCAA Cc1cc(COCC(=O)N[C@@]23CCC[C@@H]2NCC3)no1 1615545329 GOHVGULLMGXZOG-GXTWGEPZSA-N 279.340 0.900 0 50 CCAA Cn1cc(C(=O)N2CCC[C@H]2C2(O)CC2)ccc1=O 1772814604 JJKWSUMZNVHDKL-NSHDSACASA-N 262.309 0.515 0 50 CCAA O=C1OCC[C@@H]1N1CCO[C@@H](c2nccs2)C1 222211268 CQOPLYMQEQKQOH-DTWKUNHWSA-N 254.311 0.832 0 50 CCAA NC[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)CCO1 110539620 ZTKGMZYCNJFBCI-CHWSQXEVSA-N 276.336 0.424 0 50 CCAA CC[C@H]1C(=O)NCCN1C(=O)c1cccc(C(=O)O)c1 110693413 XRPISULDSGLRCF-NSHDSACASA-N 276.292 0.735 0 50 CCAA CCn1cc(S(=O)(=O)N[C@H]2C[C@@](C)(O)C2)nc1C 331761261 JDWXPQBQASNSBT-JGZJWPJOSA-N 273.358 0.403 0 50 CCAA CCS(=O)(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 13680352 CHEYWHZLDZTKJX-LBPRGKRZSA-N 298.364 0.692 0 50 CCAA CN1C(=O)NCC12CN(Cc1cccc3ccnn13)C2 1857697088 UWNFDEXCRLLVLI-UHFFFAOYSA-N 271.324 0.544 0 50 CCAA O=C(NCCCn1ccnc1)[C@@H]1CCn2nccc2C1 1857709493 AMAIDJXZAMVQDY-GFCCVEGCSA-N 273.340 0.849 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)CCCO3)C[C@H]1O 1857737934 JUYGSRNVEJJJNM-BFHYXJOUSA-N 290.363 0.726 0 50 CCAA Cn1cc(Br)c(Cn2c(=O)ncn2C)n1 328680023 BVNPBVKVEGQRIN-UHFFFAOYSA-N 272.106 0.126 0 50 CCAA CNC[C@@H]1CCCN1C(=O)c1ncncc1Cl 237127899 HMEACVJSOJKLPI-QMMMGPOBSA-N 254.721 0.954 0 50 CCAA CCC(=O)N1CC[C@H](C(=O)Nc2cccc(C(N)=O)n2)C1 134017224 IYKGWGCDXCYRHN-VIFPVBQESA-N 290.323 0.378 0 50 CCAA Cn1ncc(C(=O)N2CCNC(=O)C2(C)C)c1C(F)F 857448678 YGSXQYMAAFRJLS-UHFFFAOYSA-N 286.282 0.708 0 50 CCAA CCn1cnc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)c1 864281831 XKAOMJLLSUMMFN-NSHDSACASA-N 295.339 0.760 0 50 CCAA Cc1nc(O)cc(N2CCN(CCO)C(C)(C)C2)n1 871101581 SUSGYPMRLOVJIB-UHFFFAOYSA-N 266.345 0.384 0 50 CCAA CCOC(=O)CN(C)C(=O)[C@H]1CN(C)C[C@@H]1C(F)(F)F 952992694 BREVWRHETOKPNY-IUCAKERBSA-N 296.289 0.748 0 50 CCAA COc1ccc2nnc(CNC(=O)N3CCCC3)n2n1 1875262442 MCKBVJYKICOROS-UHFFFAOYSA-N 276.300 0.438 0 50 CCAA Cc1n[nH]c(=NC(=O)N[C@@H]2C[C@@H]3C[C@@H](CO)C[C@@H]32)s1 1875278112 ZPHCHHQKWXMWOY-XFWSIPNHSA-N 282.369 0.797 0 50 CCAA C[C@@H]1C[C@@]12NC(=O)[C@@H](CCOC(C)(C)C)NC2=O 1875319785 RRBMZAPXPXAUBS-JRKPZEMJSA-N 254.330 0.585 0 50 CCAA CN(Cc1ccoc1)C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 888093864 ZZTNKVXZBIKSOE-VXGBXAGGSA-N 292.295 0.076 0 50 CCAA CC(=O)N1CCC(C(=O)N2CC(OC(F)F)C2)CC1 1775996561 YRJBHYIUAOFMNS-UHFFFAOYSA-N 276.283 0.695 0 50 CCAA CC(C)N(C)S(=O)(=O)NC(=O)[C@@H]1CCCN(C)C1 1775997927 PKFRZGOHBHXNFS-SNVBAGLBSA-N 277.390 0.029 0 50 CCAA CCCCOCC(=O)NCc1nc(-c2nn[nH]n2)cs1 1775987465 BLNCWIIWCUOLFZ-UHFFFAOYSA-N 296.356 0.756 0 50 CCAA Cc1nnc(NCc2ccc(S(N)(=O)=O)cc2)o1 91425631 XXSLAFYZGCFRDK-UHFFFAOYSA-N 268.298 0.638 0 50 CCAA CN1C[C@](C)(NC(=O)N2C[C@@H]3CC[C@H](C2)O3)CCC1=O 2325803784 BERSLMYUSKQZPN-UHIISALHSA-N 281.356 0.570 0 50 CCAA COC(=O)c1cc(NC(=O)c2ccnc(C(N)=O)c2)c[nH]1 2325864846 ATNRHAWIKWTUQK-UHFFFAOYSA-N 288.263 0.548 0 50 CCAA CCOC(=O)[C@@]1(c2csc(N)n2)COC(=O)C1 27950 LYYVOYIVHCKYQX-SNVBAGLBSA-N 256.283 0.473 0 50 CCAA Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1 120286 FNYLWPVRPXGIIP-UHFFFAOYSA-N 253.269 0.833 0 50 CCAA aggregator,biogenic,fda CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 341461 FDEFBFUPANPFKC-UHFFFAOYSA-N 265.317 0.511 0 50 CCAA biogenic O=C(O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 1926486 LNUINKOTEGBAPP-NSHDSACASA-N 266.272 0.601 0 50 CCAA O=C1NC[C@H]2CN(C(=O)c3cnc4ccccc4n3)C[C@@H]12 2356135081 OZTCRDIPVKWWLA-VHSXEESVSA-N 282.303 0.448 0 50 CCAA Cc1cc(C)c2c(N3C[C@@H]4CNC(=O)[C@@H]4C3)ncnc2n1 2356153508 JWAYEBZFZNYCAG-WDEREUQCSA-N 283.335 0.824 0 50 CCAA COCCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C 2852411 NVCRLMLPPUHZHI-MNOVXSKESA-N 256.346 0.834 0 50 CCAA O=C(O)c1sccc1S(=O)(=O)N1CCOCC1 8231212 VMQOYLZOIIFQBE-UHFFFAOYSA-N 277.323 0.467 0 50 CCAA COCc1nn(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(=O)o1 225421278 RXVJNLNGVLUBHS-GARJFASQSA-N 297.355 0.924 0 50 CCAA COC[C@H]1CCCN1Cc1cn(CC2CCNCC2)nn1 23192250 MSYWGAZYHBQZTE-OAHLLOKOSA-N 293.415 0.889 0 50 CCAA O=C(Cc1ccccc1)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 101514672 DUYXNZLWIWFXRP-OXHZDVMGSA-N 298.298 0.199 0 50 CCAA O=C([C@@H]1CCCN1)N1CCO[C@@H]([C@H]2CCCO2)C1 237942154 WEWQJSYRMCYPEE-QJPTWQEYSA-N 254.330 0.145 0 50 CCAA C[C@H](c1ccccn1)N(C)C(=O)CCn1cnnn1 67867733 OPLBWWIIPQREQI-SNVBAGLBSA-N 260.301 0.678 0 50 CCAA Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](N)C2)cc1F 123605943 RLRLMCGJAKMPQC-MRVPVSSYSA-N 276.308 0.995 0 50 CCAA O[C@H](CNc1ncnc2c1CCNCC2)C(F)(F)F 72412386 JRMFWCLIUHNUJI-SECBINFHSA-N 276.262 0.500 0 50 CCAA O=C(Cc1nc2ccccc2[nH]1)N1C[C@@H]2CCN[C@@H]2C1 215168617 QXDNKELCNIBJCX-GXFFZTMASA-N 270.336 0.926 0 50 CCAA CC(C)c1cc(C(=O)N2CCO[C@H](C(=O)O)C2)nn1C 236600871 DFVDQRWTJNLMKI-NSHDSACASA-N 281.312 0.469 0 50 CCAA COc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)nn1 261905873 XIXWOBNFBILZKN-MRVPVSSYSA-N 265.269 0.422 0 50 CCAA Cc1ccccc1OCCCNC(=O)[C@H]1COCCN1 237558730 LHCZQQBBDHFMHX-CYBMUJFWSA-N 278.352 0.869 0 50 CCAA C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCCO2)C[C@H]1C(=O)O 263199021 WXOLXVRLUGENJG-GMTAPVOTSA-N 291.369 0.538 0 50 CCAA Cc1ccn2c(C(=O)NCC3CCOCC3)nnc2n1 426596433 FAARWHGEVCZJTP-UHFFFAOYSA-N 275.312 0.589 0 50 CCAA O=C(Cc1nc(O)n[nH]1)N1CCCN(C2CCCC2)CC1 426421188 PCXAUMOQVZZHJE-UHFFFAOYSA-N 293.371 0.530 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1nc[nH]c2nccc1-2 614456064 PRDICUSQHORSIL-IONNQARKSA-N 273.296 0.306 0 50 CCAA O=C1Nc2ccccc2NC12CCN(CCO)CC2 85532996 JHDSEJCQTYTZIT-UHFFFAOYSA-N 261.325 0.878 0 50 CCAA CN1CCN(C(=O)N2CCCC2)C[C@]12CCNC(=O)CC2 95370859 BMOCRQNYMCTTLB-HNNXBMFYSA-N 294.399 0.489 0 50 CCAA Cc1nc(=O)c(CC(=O)NCc2c(C)noc2C)c(C)[nH]1 140432053 XBZRUGZSBJIKCV-UHFFFAOYSA-N 290.323 0.850 0 50 CCAA Cc1ccn2c(C(=O)NCCCc3nn[nH]n3)c(C)nc2c1 426438829 JNIAZTXNCUHESB-UHFFFAOYSA-N 299.338 0.827 0 50 CCAA CSCC(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 91626085 XKONQCVJAWRNSR-LBPRGKRZSA-N 256.371 0.820 0 50 CCAA O=C1CCNC(=O)N1CC(=O)N1CCOc2ccccc21 95524960 VBBXLLUGXXIAMV-UHFFFAOYSA-N 289.291 0.354 0 50 CCAA CCn1nc(CC(N)=O)nc1CCc1cc(Cl)no1 96148554 SYYCESDPYJODJC-UHFFFAOYSA-N 283.719 0.752 0 50 CCAA NC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 183136479 QHHVALQFZFPZGG-SECBINFHSA-N 284.337 0.385 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H]2OCc4ccccc4N2C(=O)[C@H]13 263592337 JAKDDXGVWGWOEV-APLKWVCFSA-N 299.282 0.914 0 50 CCAA C[C@H](CS(C)(=O)=O)NCC1(CN2CCCC2)CC1 534640807 HKVBPCHZPQDITF-GFCCVEGCSA-N 274.430 0.885 0 50 CCAA O=C(CN1CCCCCCC1)NC[C@]1(O)CCCNC1 534648695 QDIJFENZAMFDPM-HNNXBMFYSA-N 283.416 0.483 0 50 CCAA CC(C)[C@H](NC(=O)c1cc2ncccn2n1)c1ncnn1C 534585489 FAPXLMJXFHDQMX-LBPRGKRZSA-N 299.338 0.985 0 50 CCAA CC[C@@H](C)NC(=O)CN1Cc2nc(C)n(C)c(=O)c2C1 299784452 IQFFKWXJGSWXLM-SECBINFHSA-N 278.356 0.319 0 50 CCAA CC(C)N1CC[C@@H](CN(C)C(=O)c2cnn[nH]2)C1 299787511 OMHKXWJZEBZRQW-JTQLQIEISA-N 251.334 0.607 0 50 CCAA NC(=O)C1(c2ncnn2-c2ccc3c(c2)OCO3)CC1 826828738 SZCAHCLITXVKKD-UHFFFAOYSA-N 272.264 0.513 0 50 CCAA CN1C[C@@H](n2cnc3ccncc3c2=O)CCC1=O 584898817 HZBNYJQJGKXCKH-VIFPVBQESA-N 258.281 0.585 0 50 CCAA Cc1ncn(C)c1C(=O)N1CCC(CCC(N)=O)CC1 584891137 DGIFJRQJZPBTDX-UHFFFAOYSA-N 278.356 0.846 0 50 CCAA Cc1ccc(CN2CCN(S(N)(=O)=O)CC2=O)cc1C 670468969 TVBVOJMGCKSITK-UHFFFAOYSA-N 297.380 0.151 0 50 CCAA CC1=C(C(=O)N(C)CCc2noc(C)n2)OCCO1 952986522 GLQWTWKMECHQSV-UHFFFAOYSA-N 267.285 0.657 0 50 CCAA COc1cc(NCCN2CCC[C@H](CO)C2)nc(N)n1 952974482 IUYFATPBCRBZEO-JTQLQIEISA-N 281.360 0.184 0 50 CCAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1cncnc1N 408474647 ITNCEUBABYTGNP-RYUDHWBXSA-N 278.356 1.126 0 50 CCAA CN(CCN(C)C1CC1)C(=O)[C@H]1CCCc2nn[nH]c21 408517230 CWCDXSWVCIRAGA-NSHDSACASA-N 277.372 0.777 0 50 CCAA O=C(NCCc1ccccc1)N[C@H]1CCNC[C@@H]1O 1565509055 CEXHBGIOICHFHT-STQMWFEESA-N 263.341 0.251 0 50 CCAA O=C(N[C@@H]1CNCC[C@@H]1O)c1n[nH]c2ccccc12 1565527228 RUMYUDGBLXINPL-MNOVXSKESA-N 260.297 0.016 0 50 CCAA O=C(O)[C@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC[C@H]21 1574400571 YKMVFUMJZGCTFB-APWOSFEXSA-N 275.308 0.692 0 50 CCAA Cc1nc(-c2ccncc2)nc(N2C[C@@H](O)[C@H](O)C2)c1C 277552112 XSPDTBILUOCXNV-CHWSQXEVSA-N 286.335 0.697 0 50 CCAA O[C@@H](CN1CCSC2(CCOCC2)C1)Cn1cccn1 186809532 RQZMAEFVDKHHCB-ZDUSSCGKSA-N 297.424 0.842 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cn[nH]c1 188989654 NOOXQZJJAQWYEI-SNVBAGLBSA-N 250.302 0.396 0 50 CCAA O=C(NC[C@@H](O)[C@H]1CCCO1)c1cc(C(F)F)[nH]n1 640725950 MBJMBIJZQCRLCT-RKDXNWHRSA-N 275.255 0.617 0 50 CCAA CN1CCC[C@@H]1CN(C)[C@@H]1CCCCN(CC(=O)O)C1=O 643875915 FDWBMWXFCVDLLA-CHWSQXEVSA-N 297.399 0.478 0 50 CCAA NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1ncnc2n[nH]cc12 682473712 HNUZVGVBNGWLEN-NRPADANISA-N 272.312 0.443 0 50 CCAA COCC(COC)NC(=O)N1CC[C@H](C)[C@@H](C(=O)O)C1 573680482 ATLITJWBVHYUKN-ONGXEEELSA-N 288.344 0.400 0 50 CCAA Cn1nc(C2CC2)cc1CNC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21 1615545768 INUBXAJQNUJPPS-XQHKEYJVSA-N 274.368 0.897 0 50 CCAA Cc1cc(CCNC(=O)N2C[C@@H]3CC[C@]3(N)C2)on1 1615588848 FOOCBBHGAJRUGR-GWCFXTLKSA-N 264.329 0.658 0 50 CCAA CC[C@H](C)NC(=O)CN1C[C@H](N(C)C)C2(CCOCC2)C1 1615614651 IHXOKGRFLMBONR-KBPBESRZSA-N 297.443 0.944 0 50 CCAA Cc1nc(CC(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)cs1 1616093328 DKEZTUYCLLJQMA-QWRGUYRKSA-N 279.365 0.930 0 50 CCAA CCC1=NO[C@@H](CNC(=O)Cn2nc(C)cc2N)C1 1506403340 NWXAUVKQNYAAIV-SNVBAGLBSA-N 265.317 0.445 0 50 CCAA CCOCCC(=O)N(C)C[C@@H]1CC(=O)N(CC)C1 1506395719 LLRNJSZBQIBASH-NSHDSACASA-N 256.346 0.740 0 50 CCAA COC(=O)c1cc2c(c(C(=O)OC)c1)C[C@H](O)O2 204331280 ZXPCVOXTVBVAIK-SNVBAGLBSA-N 252.222 0.513 0 50 CCAA CN(C)CCc1nnc(NC(=O)CCn2cccn2)s1 1529189854 APJBQQPHUVGZKJ-UHFFFAOYSA-N 294.384 0.868 0 50 CCAA COc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)c(C)c1 1704325244 KHRSDGIAEHIKMX-KGLIPLIRSA-N 290.363 0.950 0 50 CCAA CN(C[C@H](O)CF)[C@H]1CCCN(c2cccnn2)C1 1615587070 AXLNEZVUOSJELD-NWDGAFQWSA-N 268.336 0.708 0 50 CCAA CCNS(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1CC 246957743 KZWYLFJLUAIBFG-MNOVXSKESA-N 261.391 0.399 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)c2ccc3c(c2)CCO3)C1 630251656 HPHGIPIRGOWRQE-OAHLLOKOSA-N 291.303 0.937 0 50 CCAA Cc1n[nH]cc1C(=O)N1CCC[C@@H](n2ccnn2)C1 331781793 GHKZAGUJQLHNEC-SNVBAGLBSA-N 260.301 0.787 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@H](C(=O)O)C1 237718032 VLSZXPXROPPSNU-SNVBAGLBSA-N 281.312 0.349 0 50 CCAA CCN1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)O)CC1 6725399 LZAFQRGCPDCCGE-VXGBXAGGSA-N 266.341 0.818 0 50 CCAA Cn1ncc2ccc(CNC(=O)NCC(=O)O)cc21 909025039 VFFNIEGUDSUMQE-UHFFFAOYSA-N 262.269 0.457 0 50 CCAA COCCO[C@H](C)c1nnc2n1CC[C@H](C(=O)OC)C2 1118983949 UYUWKTIOPNKSPY-ZJUUUORDSA-N 283.328 0.738 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H]1CCc2nc(C)ncc2C1 858330307 OHULXKUGLLGEIE-LBPRGKRZSA-N 288.351 0.403 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H](CO)c1sccc1C 860552707 SNZYSGDZBATGKO-SNVBAGLBSA-N 282.365 0.851 0 50 CCAA CNC(=O)[C@@H]1C[S@](=O)[C@H]2c3ccccc3C(=O)N21 1875321412 HTJJYMVDXADFRC-BMKPQVEQSA-N 264.306 0.018 0 50 CCAA COC[C@@]1(CNc2cc(C)nc3ncnn23)CCCN1 261868898 YSEOVQXVZSGDRT-ZDUSSCGKSA-N 276.344 0.613 0 50 CCAA CNS(=O)(=O)C[C@@H]1CCCN1C[C@H]1CC[C@H](C)O1 332662205 GFCHTADLKJJXKI-SDDRHHMPSA-N 276.402 0.568 0 50 CCAA Cc1c(-c2ccnc(N3CCOCC3)n2)cnc2ncnn12 49548584 AFWIIBQEJGEYPQ-UHFFFAOYSA-N 297.322 0.726 0 50 CCAA CC1(C)CN(c2cc(O)ncn2)C[C@]2(CCOC2)O1 893635232 VBHLHVGALJDGOM-ZDUSSCGKSA-N 265.313 0.957 0 50 CCAA CCOC(=O)Cc1nn2c(=O)cc(C)nc2s1 266549 MQMVOCWCDBOYOM-UHFFFAOYSA-N 253.283 0.565 0 50 CCAA C[C@H](C(=O)NC1CC1)N1C(=O)c2ccccc2C1=O 308197 BLZMHJKGDHKQOK-MRVPVSSYSA-N 258.277 0.950 0 50 CCAA N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O 2560985 WEQJQNWXCSUVMA-VXGBXAGGSA-N 262.309 0.632 0 50 CCAA endogenous,in-man CC(=O)N[C@H](C)CNS(=O)(=O)c1ccc(C)cc1 2846781 SNGSSCACPOZJPZ-SNVBAGLBSA-N 270.354 0.798 0 50 CCAA COc1cc([C@H]2NN=C(S)NN2)cc(OC)c1OC 6170043 BLTWTNJKTCUZPU-UHFFFAOYSA-N 284.341 0.609 0 50 CCAA COC(=O)[C@H]1CN(C(=O)Nc2ccnn2C(C)C)CCO1 343716149 OZPBUALWPNXUIP-SNVBAGLBSA-N 296.327 0.870 0 50 CCAA COc1cccc(N2CCN(C(CO)CO)[C@H](C)C2=O)c1 65456475 ZQUHHVRCHNDDJC-LLVKDONJSA-N 294.351 0.086 0 50 CCAA CN(C)c1nccc(CN2C[C@H](CO)OC(C)(C)C2)n1 421363812 QUPVLQWGRDTYCE-GFCCVEGCSA-N 280.372 0.514 0 50 CCAA CC(C)CN1CCC[C@H](CNC(=O)Cn2cnnn2)C1 67774137 KSXWXFMMAWJVTR-GFCCVEGCSA-N 280.376 0.157 0 50 CCAA Cc1nccnc1N1CCC[C@@H](n2cc(CO)nn2)C1 328702087 NQXBDJOBWSLBHA-GFCCVEGCSA-N 274.328 0.710 0 50 CCAA O=C(N1CCOCC1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 328845489 QEZILEKGUPBWNL-SECBINFHSA-N 281.316 0.142 0 50 CCAA CC(C)c1cc(NC[C@@H](O)CO)n2nccc2n1 72468291 SAYMLZZSDYKIMW-SECBINFHSA-N 250.302 0.618 0 50 CCAA O=C1C[C@H](C(=O)N2CCCO2)CN1Cc1ccccn1 155736942 ASXYCSDWUGCHKR-NSHDSACASA-N 275.308 0.594 0 50 CCAA Cc1nc(CCNC(=O)c2cn[nH]c2)nc2c1CCC2 215519921 SIUASWGNJHYJCU-UHFFFAOYSA-N 271.324 0.969 0 50 CCAA CCOc1cccc(S(=O)(=O)N2CCN(C)C(=O)C2)c1 282557019 FGSLVOVTUBINRE-UHFFFAOYSA-N 298.364 0.548 0 50 CCAA CN(C)C/C=C/C(=O)NCc1ccc2c(c1)C(=O)NCC2 492552993 QLAPZMDGRNZBHG-ONEGZZNKSA-N 287.363 0.707 0 50 CCAA O=C(O)C[C@H]1NC(=O)N(CCc2ccc(F)cc2)C1=O 504006720 BTAUBDFQQPBGEY-SNVBAGLBSA-N 280.255 0.763 0 50 CCAA CNCC(=O)N1CCO[C@@H](c2ccccc2F)C1 237205766 CEHDWJLERJBSJK-GFCCVEGCSA-N 252.289 0.945 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCOC[C@@H](O)C2)on1 77455371 LRAAFIIUZFVICJ-NSHDSACASA-N 268.313 0.706 0 50 CCAA C[C@H](C(=O)NCCc1cnn[nH]1)N1CCCCC1 426589118 SKOSBDFKWCORHQ-SNVBAGLBSA-N 251.334 0.338 0 50 CCAA OCCCCCNc1cc([C@H]2CCOC2)ncn1 426544870 BCNXDVYKGQTEBM-NSHDSACASA-N 251.330 1.555 0 50 CCAA CCn1cc(CN(C)C(=O)CN2CCC[C@H](O)C2)c(C)n1 426491020 HJHCBJOVSZRFPM-AWEZNQCLSA-N 294.399 0.627 0 50 CCAA CN(C)C/C=C/C(=O)NCc1ccc(S(C)(=O)=O)cc1 265610286 FCZOQHBNUDJAOT-SNAWJCMRSA-N 296.392 0.824 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1CCCCNC1=O 97447097 TUBWXSDVEJIQOO-LLVKDONJSA-N 291.355 0.250 0 50 CCAA O=C(c1cnc(Nc2ccccc2)nc1)N1C[C@H](O)CO1 91845913 VQKXLDYKZLONJS-LBPRGKRZSA-N 286.291 0.969 0 50 CCAA COC[C@@H]1CCN(CC(=O)Nc2ccn(C)n2)C1 252509101 YCLUIPHAWDEZHZ-SNVBAGLBSA-N 252.318 0.327 0 50 CCAA CCN1CC[C@H](N(C)C(=O)[C@@H]2CCNC2)[C@H](C)C1 299739828 RQANDDWVSGAEFW-UPJWGTAASA-N 253.390 0.785 0 50 CCAA NC(=O)c1ccc(=NC[C@@H]2CC(=O)N(C3CC3)C2)[nH]c1 355574252 KXMIUGOTZHMJIF-VIFPVBQESA-N 274.324 0.025 0 50 CCAA C[C@@H](CS(C)(=O)=O)NCC1(Cn2cccn2)CC1 534583218 ADTQFXPBCCETJX-NSHDSACASA-N 271.386 0.686 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1CCC2(CC1)CNCCO2 534589175 WVNAKPKQAHPJSF-UHFFFAOYSA-N 292.383 0.550 0 50 CCAA CN(CC(=O)O)c1ncc(CN2CCCC2)cn1 534652428 FBDRYCIMRFSBPO-UHFFFAOYSA-N 250.302 0.593 0 50 CCAA COc1cc(NCCCN2CCC[C@@H](O)C2)nc(N)n1 824564400 QOVBOWSJJBNWFJ-SNVBAGLBSA-N 281.360 0.326 0 50 CCAA CCN(C[C@H]1CCCCO1)S(=O)(=O)c1cn[nH]c1 823086696 VIFZKGXBJHYLRO-SNVBAGLBSA-N 273.358 0.989 0 50 CCAA CC1(C)CNC(=O)[C@@H]1OC(=O)CN1CCCCCCC1=O 585136028 MWGQUMBBMTYFLK-ZDUSSCGKSA-N 296.367 0.847 0 50 CCAA O=C(C1CCC1)N1CCCN(CCN2CCOCC2)CC1 827714945 DKHZSQDFWRVCCT-UHFFFAOYSA-N 295.427 0.653 0 50 CCAA CN1C(=O)C[C@@H](c2ncnn2CCO)c2ccccc21 670437967 RIRINPKCRURDSH-LLVKDONJSA-N 272.308 0.769 0 50 CCAA CNC(=O)C[C@@H]1CCN(Cc2cnc(N(C)C)nc2)C1 670469506 IDQOUXLDTQEKFY-NSHDSACASA-N 277.372 0.501 0 50 CCAA O=C(O)[C@@H]1CCCN1CCCN1CCC[C@H]1C(=O)O 44137926 BTAMWJTZKFBRPP-QWRGUYRKSA-N 270.329 0.475 0 50 CCAA in-vitro C=CC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1338394609 NQYNBOSAHNYWMC-UHFFFAOYSA-N 258.274 0.275 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)c2cccn2C(C)C)[C@@H](O)C1 991482750 APSPOOPMQFRHTN-JSGCOSHPSA-N 293.367 0.781 0 50 CCAA O=S(=O)(C[C@H]1CC2(CCC2)CO1)N1CCOCC1 1434547155 CIWKVTNZLPTPCB-LLVKDONJSA-N 275.370 0.608 0 50 CCAA CC(C)(C)n1cc(NC(=O)N[C@@]2(CO)CCOC2)cn1 186246191 NKECRKDYZRPFKN-CYBMUJFWSA-N 282.344 0.911 0 50 CCAA Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@H](O)C(C)(C)C1 279169131 AXORSQMIVOCDNB-LBPRGKRZSA-N 294.351 0.482 0 50 CCAA CCc1ccnc(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)c1 644003661 QEUOOLJUAXNKBT-OAHLLOKOSA-N 291.351 0.487 0 50 CCAA O=C(NCCc1nc(=O)o[nH]1)[C@H](F)c1ccccc1 790078754 GGAPKZIXJUOXBN-SNVBAGLBSA-N 265.244 0.732 0 50 CCAA Cc1cc(NC(=O)[C@@]2(C(C)C)CNC(=O)C2)nn1C 1614416709 WWKGOGGIVKBTGG-CYBMUJFWSA-N 264.329 0.829 0 50 CCAA Cc1nn(C)c(C)c1CN(C)c1cc2nncn2c(N)n1 1506428769 YYGMNVDFXWYJTN-UHFFFAOYSA-N 286.343 0.693 0 50 CCAA CC[C@@]1(C(N)=O)CCCN(c2ccc(C(=O)O)nn2)C1 1506431413 IYRHIAJTMJQTNG-CYBMUJFWSA-N 278.312 0.657 0 50 CCAA CN(CC(=O)N(C)Cc1ncon1)Cc1ccccn1 1506426760 KIDQXGDLGUCFRC-UHFFFAOYSA-N 275.312 0.555 0 50 CCAA C[C@H]1CO[C@H](C)CN1S(=O)(=O)N1CCC(CN)CC1 226729981 DYCJMRRXUAMAMZ-WDEREUQCSA-N 291.417 0.011 0 50 CCAA O=C1C[C@H](NS(=O)(=O)CC2CC2)CN1C1CC1 330128009 DJKFMTSOZJINCY-VIFPVBQESA-N 258.343 0.079 0 50 CCAA COCC(C)(C)C(=O)N1CC(n2nc(C)nc2C)C1 646097162 BEISMQASOPOEBP-UHFFFAOYSA-N 266.345 0.951 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N[C@H]1CCCN[C@H]1C 333837057 KKUAKGYZYVWPMT-UWVGGRQHSA-N 272.374 0.147 0 50 CCAA COC(=O)c1cc(S(=O)(=O)N(C)CC(=O)O)oc1C 261892373 UDDLCAABWJBLTL-UHFFFAOYSA-N 291.281 0.080 0 50 CCAA OCC1(CN2CC[C@H](n3cc(Cl)cn3)C2)COC1 377791007 YDEJLIFEDYSFNQ-NSHDSACASA-N 271.748 0.792 0 50 CCAA O=C1CC[C@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)CN1 123020641 LTBWATFLXXNZRJ-CMPLNLGQSA-N 276.292 0.455 0 50 CCAA Cc1cc(NC(=O)CSc2nnc(N)[nH]2)no1 5472673 JXCUIMRMPMNYLX-UHFFFAOYSA-N 254.275 0.414 0 50 CCAA C[C@H](CCn1cccn1)NC(=O)[C@@H]1CN(C)CC[C@H]1O 19841970 NNAWZUUCYWWRDY-JHJVBQTASA-N 280.372 0.091 0 50 CCAA Cn1cncc1C(=O)N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1 1875244886 YRFZGGDQPDQITJ-OBJOEFQTSA-N 290.367 0.402 0 50 CCAA O=C(NCCC1CCC1)N1CCN([C@H]2CCNC2)CC1 841858005 MEHAJNTZKWACAO-AWEZNQCLSA-N 280.416 0.866 0 50 CCAA CCOC(=O)CN(C)C(=O)C1=C[S@@](=O)CCC1 1136428527 CESIFRORQFAZTG-KRWDZBQOSA-N 259.327 0.434 0 50 CCAA CC(=O)N1CC(N2C[C@@H](c3nc(C4CC4)no3)CC2=O)C1 1875269020 VMKOCWTZOUDOGF-JTQLQIEISA-N 290.323 0.494 0 50 CCAA C[C@H](N)C(=O)N[C@@H]1Cc2n[nH]cc2[C@@H](C(F)(F)F)C1 1875276695 PZNXXASQUAPMTJ-HAFWLYHUSA-N 276.262 0.834 0 50 CCAA CN1CCN(C(=O)N[C@H]2CCCc3n[nH]cc32)CC1 1875322925 NXYVMIWWJYXPSZ-NSHDSACASA-N 263.345 0.744 0 50 CCAA CCO[C@H]1CN(C(=O)c2cccn2C)C[C@H]1CO 888100717 KLLKRWSXRJTCSP-JQWIXIFHSA-N 252.314 0.495 0 50 CCAA O=C1C[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)CN1 1772994950 ZELGFMCFSASMNG-AWEZNQCLSA-N 285.307 0.082 0 50 CCAA C[C@@H](O)C[C@H]1CCCCCN1CCS(=O)(=O)N(C)C 311717233 TWRWLSSLVZSFME-CHWSQXEVSA-N 292.445 0.893 0 50 CCAA CC1(C)CN(Cc2nncs2)CCS1(=O)=O 929825202 OKGPYHNLPHWTAS-UHFFFAOYSA-N 261.372 0.547 0 50 CCAA Cn1nnc(CNc2ccc3nc(O)n(C)c3c2)n1 2325761448 HENOHFIGKNAVQB-UHFFFAOYSA-N 259.273 0.415 0 50 CCAA CCN1C[C@H]2C[C@@H]1CN2C(=O)N[C@H]1CCC(=O)N[C@H]1C 2325768467 HDHHFCGGVYVWEG-QCNOEVLYSA-N 280.372 0.142 0 50 CCAA COc1cccc2[nH]c(CN3C[C@H](O)[C@H](O)C3)cc12 2325779020 BLEWERLEAKKBKD-BETUJISGSA-N 262.309 0.714 0 50 CCAA NS(=O)(=O)c1ccc(-c2cncc3ncnn23)o1 2325823783 DYYAEGJLFJYNLB-UHFFFAOYSA-N 265.254 0.032 0 50 CCAA CC1CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1 259627 ZCPDNHYCKFESLN-UHFFFAOYSA-N 290.385 0.760 0 50 CCAA COc1cc([C@@H]2NC(=S)NC(C)=C2C(N)=O)ccc1O 1241021 DOSCAKJNWNZFFD-NSHDSACASA-N 293.348 0.679 0 50 CCAA Cn1cccc1C(=O)N1CCC2(CC1)CNC(=O)CO2 2356145346 MIYIOAFCXAIZSJ-UHFFFAOYSA-N 277.324 0.146 0 50 CCAA Cc1cc(S(=O)(=O)O)c(N)cc1S(=O)(=O)O 2504543 YYRVBCBZQPTVEO-UHFFFAOYSA-N 267.284 0.071 0 50 CCAA CCc1ccccc1OCCN(C)C[C@H](O)CO 55120617 MQZQKYPCCNYASW-ZDUSSCGKSA-N 253.342 0.913 0 50 CCAA C[C@H](c1ccccc1)N(CC(N)=O)Cc1nnnn1C 342032181 BBVCDLGFXJGZCA-SNVBAGLBSA-N 274.328 0.259 0 50 CCAA CCCOCCn1nc([C@@H]2CCCNC2)n(CC)c1=O 67855330 SUZXFPNDOKHDKB-GFCCVEGCSA-N 282.388 0.958 0 50 CCAA CCOC(=O)[C@@H]1CCCN([C@H]2C[C@@H](C)OC2=O)C1 247823214 HSLALPKLHWCFOZ-MXWKQRLJSA-N 255.314 0.966 0 50 CCAA O=c1[nH]nc(CCCO)n1CCc1ccccc1F 65434910 USUZZZNDHPJZLE-UHFFFAOYSA-N 265.288 0.878 0 50 CCAA CCn1c(C2CCN(C[C@H]3CCOC3)CC2)nn(C)c1=O 67983425 QMYCIXLYFTZVTD-GFCCVEGCSA-N 294.399 0.818 0 50 CCAA Cc1cc(CNC(=O)c2cccn3c(O)nnc23)n(C)n1 356151685 KASIMPVNYSUIPI-UHFFFAOYSA-N 286.295 0.407 0 50 CCAA COc1ccnc(CN2CC[C@H](CO)C2)c1OC 188670765 ZYQQMZRBZJTBOE-JTQLQIEISA-N 252.314 0.913 0 50 CCAA O=C1CC[C@@]2(CCCN(c3ncccn3)C2)CN1CCO 77407688 PINPGTGVDHZJPC-HNNXBMFYSA-N 290.367 0.678 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@@H]1N(C)C 257366170 METNMEBSJJKENI-WOPDTQHZSA-N 267.373 0.263 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N2CC(O)(C3CC3)C2)CC1=O 332849662 VEHHYVRJJXDYPN-ADEWGFFLSA-N 293.367 0.162 0 50 CCAA CN1CC[C@@H](C(=O)NC2(C(=O)O)CCCC2)CC1=O 262303398 LOFMWPQZEOPJNC-SECBINFHSA-N 268.313 0.368 0 50 CCAA CN(CC(C)(C)O)[C@@H]1CCN(c2cnn(C)c2)C1=O 177728662 OJBCPHNLMTVLEW-LLVKDONJSA-N 266.345 0.228 0 50 CCAA Cc1cc(C)nc(CNC(=O)N2CCC[C@@H]2C(N)=O)n1 426510225 WDLOFALFFLNUOC-SNVBAGLBSA-N 277.328 0.253 0 50 CCAA Cc1ccc(-c2n[nH]cc2CN2C[C@@H](N)[C@H](O)C2)cc1 426431832 LDYVWFPIFFYOCU-ZIAGYGMSSA-N 272.352 0.889 0 50 CCAA Nc1nnc(CCNC(=O)C(=O)Nc2ccccc2)s1 223515747 BOQSFJCXDITZAD-UHFFFAOYSA-N 291.336 0.418 0 50 CCAA CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccncn1 221291589 CPIIJBIKTCDSFM-LBPRGKRZSA-N 264.329 0.644 0 50 CCAA CCOC[C@@H]1CN(C(=O)NCCc2cnccn2)CCO1 527851549 ZPXGDQRXVWVFQY-ZDUSSCGKSA-N 294.355 0.466 0 50 CCAA C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)CCN1 97773001 USQUXUPLUUEEHH-ZCFIWIBFSA-N 262.235 0.862 0 50 CCAA CCc1cnc(NC[C@@H]2CC(=O)N(CCOC)C2)nc1 95353351 GXKSFZNDYPNWGH-LBPRGKRZSA-N 278.356 0.946 0 50 CCAA COc1cccn(Cc2nc3ncccn3n2)c1=O 95520753 HVPDWKYQFJGJGW-UHFFFAOYSA-N 257.253 0.343 0 50 CCAA COc1ccc(-c2cc(C(=O)NC(CO)CO)[nH]n2)cc1 91416500 YWXVTIVWGMWYEW-UHFFFAOYSA-N 291.307 0.168 0 50 CCAA O=C([C@@H]1C[C@@H](F)CN1CCn1cccn1)N1CCOCC1 299746156 VSHACUQBHNNMJI-OLZOCXBDSA-N 296.346 0.154 0 50 CCAA C[C@H](NC(=O)NCCNS(C)(=O)=O)c1ccsc1 534579682 CCMQCGBUZVMLJY-QMMMGPOBSA-N 291.398 0.658 0 50 CCAA Cc1c(-c2cccc3c2OCC3)c(=O)n(C)c(=O)n1C 534649436 ZAAXAFOXWJQJBF-UHFFFAOYSA-N 272.304 0.994 0 50 CCAA Cc1nc2c(C(=O)N(C)[C@@H]3CCNC3)ccnc2[nH]1 911789292 VCHYYGXKMDMVFF-SECBINFHSA-N 259.313 0.700 0 50 CCAA COc1cccc(C(=O)N2CC(O)C2)c1OCCCN 299757768 MYWKJUSMFURIPA-UHFFFAOYSA-N 280.324 0.240 0 50 CCAA CC(=O)Nc1ccc(F)c(NC(=O)N(C)C[C@H](O)CO)c1 299756305 GGAXUYMOGPWYAS-JTQLQIEISA-N 299.302 0.601 0 50 CCAA O=c1[nH]nc(CCNc2cc([C@@H]3CCOC3)ncn2)[nH]1 299769432 PMDPJPRQPMMRLD-MRVPVSSYSA-N 276.300 0.047 0 50 CCAA NC(=O)c1ccc(NCCCN2CCC[C@H](O)C2)nc1 828627387 JZYNOCMXFIPWBN-LBPRGKRZSA-N 278.356 0.439 0 50 CCAA CCOC(C)(C)C(=O)NCCN1CCCC[C@@H]1CO 823289039 KBUATPCZHJEJCZ-GFCCVEGCSA-N 272.389 0.765 0 50 CCAA CN(C)C(=O)[C@@H]1CN(C2CSCCSC2)CCO1 584890080 LOBVJTKIQIITED-NSHDSACASA-N 290.454 0.624 0 50 CCAA CCN1CCN(CC(=O)N2CCC[C@H](CCOC)C2)CC1 670450942 SHIDHUAZDSYMNL-OAHLLOKOSA-N 297.443 0.899 0 50 CCAA CCCN1CCN(C(=O)c2cn(C)c(C)cc2=O)CC1=O 670455828 VYFOTWFZYSEOAK-UHFFFAOYSA-N 291.351 0.388 0 50 CCAA O=c1c2c(Cl)cccc2ncn1[C@@H]1CNC[C@H]1O 670472660 ATEAHFQHVSLSDH-NXEZZACHSA-N 265.700 0.555 0 50 CCAA C=CC(=O)N1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 1335867607 VNRHTJZYDSSECC-LBPRGKRZSA-N 289.335 0.997 0 50 CCAA COC(=O)c1cccc(S(=O)(=O)N(C)C2(CO)CC2)c1 241447093 NRDOUMDBUKEIKN-UHFFFAOYSA-N 299.348 0.619 0 50 CCAA Cc1cc2cc(C(=O)N[C@H]3CNC[C@@H]3O)ccc2o1 1565529710 OYFUZWGHALYJLR-RYUDHWBXSA-N 260.293 0.804 0 50 CCAA C[C@H]1CC[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)O1 407990281 MZSHKNMKFRLGDH-BJDJZHNGSA-N 279.340 0.934 0 50 CCAA C[C@@H]1CCN(C(=O)CC[C@]2(C)CCC(=O)N2)C[C@H]1O 408187797 AFYBAESXTSMUIJ-GYSYKLTISA-N 268.357 0.665 0 50 CCAA COC[C@@H]1CCCN(c2nc(N)c3cnn(C)c3n2)C1 276266794 NJOIPQHOVBDFJB-SECBINFHSA-N 276.344 0.808 0 50 CCAA C[C@@H](O)[C@@H]1CN(C(=O)Cc2cnn3c2CCCC3)CCO1 633447747 ZNQRKKZBAWMNSK-RISCZKNCSA-N 293.367 0.370 0 50 CCAA CCN1CCO[C@H](C(=O)Nc2cc(CCO)ccn2)C1 576360178 MYGBETVKZUHMAQ-LBPRGKRZSA-N 279.340 0.276 0 50 CCAA CC[C@H](NC(=O)c1coc(C)c1)C(=O)N1CCOCC1 188262028 RUAGPXKZRCZISJ-LBPRGKRZSA-N 280.324 0.955 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2cc[nH]n2)C1 643754667 CCMPSIMFYGTVRE-CYBMUJFWSA-N 266.345 0.215 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1CCn1nc(C)cc1C 643821926 HFWBRERDQSKRPD-CQSZACIVSA-N 280.372 0.466 0 50 CCAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)NCc3cncc(O)c3)C[C@@H]21 1615549022 UXICUOKEXFCSBM-JULQROHOSA-N 261.325 0.777 0 50 CCAA O[C@H]1CN(c2cnccn2)C[C@@H]1Cc1cnccn1 1616080026 QDXQESDWHVYQDI-JQWIXIFHSA-N 257.297 0.306 0 50 CCAA O=C(CCc1cn[nH]c1)NC[C@H]1CC2(CCNCC2)CO1 1506429701 UAUMEXXOFTVIPL-CYBMUJFWSA-N 292.383 0.617 0 50 CCAA OC[C@H]1CCCN1C[C@H]1CCCN1CCC1OCCO1 215573074 FVWOJMYIKZJHRG-ZIAGYGMSSA-N 284.400 0.671 0 50 CCAA NC(=O)CO[N@]1CC1(C(F)(F)F)C(F)(F)F 1857524960 LEIFNDWBTHHMJW-CQSZACIVSA-N 252.114 0.582 0 50 CCAA O=C1NCCC[C@]12CN(CCC(F)(F)F)CC[C@@H]2O 1857694074 ZORCRELPOIEZLV-GXSJLCMTSA-N 280.290 0.902 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCc2cccc(CO)c2)CC[C@@H]1O 1704315638 NQAZRRXTOLTRPH-QLFBSQMISA-N 293.363 0.971 0 50 CCAA O[C@@H]1CCC[C@]12CCCN(CCN1CCOCC1)C2 1704338972 LZHFASTZVMXOAJ-HUUCEWRRSA-N 268.401 0.946 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(C)no1 643953262 OBRLMWPBXAZYRP-ZDUSSCGKSA-N 281.312 0.350 0 50 CCAA Cc1nc(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)cn1C 249869998 JGDNYFLJOMMBRW-BDAKNGLRSA-N 273.358 0.526 0 50 CCAA c1ccc(CN2CCN(CCC3OCCO3)CC2)nc1 123666487 AXVMMKJPQASFRD-UHFFFAOYSA-N 277.368 0.962 0 50 CCAA COc1ccc(CN2C[C@H](CN)OCC2=O)cc1 11884454 TWFMJAGCCNVNMA-LBPRGKRZSA-N 250.298 0.381 0 50 CCAA CS(=O)(=O)Cc1ccc(C(=O)N2CCOCC2)cc1 16642750 RIYMKAVYKDTZHO-UHFFFAOYSA-N 283.349 0.704 0 50 CCAA CN(CCc1ccccn1)C(=O)[C@@H]1CCc2ncnn2C1 1857733242 BCBADFCWWAUGHW-GFCCVEGCSA-N 285.351 0.937 0 50 CCAA CC[C@H](C)OCC(=O)N1CCC([C@@H](O)C(=O)OC)CC1 443879149 FKGDBXNOYXATBD-GXFFZTMASA-N 287.356 0.574 0 50 CCAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cc[nH]n2)n1 408055271 SBFQVFUUNXKKPX-XCBNKYQSSA-N 277.284 0.703 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cn(C(C)(C)C)nn1 643764401 WXRBCWQZKQTMMJ-AWEZNQCLSA-N 295.387 0.499 0 50 CCAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Cn1cccn1 245316904 LEDAFFTZKHZKMI-XRRVDJEJSA-N 277.324 0.587 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1ccn(C2CCCC2)n1 262083568 FNLOJCCHLHHVOI-LBPRGKRZSA-N 293.323 0.924 0 50 CCAA COCc1ccc(S(=O)(=O)Cc2cnn[nH]2)cc1 905247905 JEIAZYDMGGNCPH-UHFFFAOYSA-N 267.310 0.925 0 50 CCAA Cc1c(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)cnn1C 1704307525 IYMAEIWIHBMVJO-OLZOCXBDSA-N 278.356 0.018 0 50 CCAA CCO[C@@H]1COC[C@H]1NC(=O)c1cc(C(F)F)n(C)n1 821995502 ZOSUQDOHSGQQLM-PSASIEDQSA-N 289.282 0.891 0 50 CCAA C=CC(=O)N(CC)CC(=O)Nc1cc(C(N)=O)n(C)c1 823043915 GJVAJEJREJAGGX-UHFFFAOYSA-N 278.312 0.097 0 50 CCAA O=C(CN1CCOC1=O)N1CCC[C@@]2(CCOC2)C1 823435337 OJYKZBVDXUUHTQ-CYBMUJFWSA-N 268.313 0.468 0 50 CCAA CN(CC1(O)CC1)C(=O)Cc1nnc(O)c2ccccc12 1875274800 CGDAITPLWOUEOJ-UHFFFAOYSA-N 287.319 0.861 0 50 CCAA COC(=O)[C@@H](NC(=O)CCc1cnoc1)[C@@H](C)OC 1875298002 LPEMEAXLYUOKQS-KCJUWKMLSA-N 270.285 0.300 0 50 CCAA CNC(=O)Cc1ccc(NCc2cnc(C(N)=O)cn2)cc1 1875309294 FNHARXLBGRQNKN-UHFFFAOYSA-N 299.334 0.476 0 50 CCAA C[C@H](NC(=O)C[C@@H]1CCCO1)c1nn(C)cc1O 1304545393 SKWABKZMMDNUHH-IUCAKERBSA-N 253.302 0.872 0 50 CCAA COC1CN(C(=O)[C@@H]2CCCO[C@H]2c2ncc[nH]2)C1 886075199 FQEBCUBIXDMOEC-GHMZBOCLSA-N 265.313 0.735 0 50 CCAA CCO[C@H]1CN(C(=O)c2cccn2C)C[C@@H]1CO 888100718 KLLKRWSXRJTCSP-PWSUYJOCSA-N 252.314 0.495 0 50 CCAA NC(=O)c1c[nH]c(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1 1776002520 YZKZNSXZUUFZQF-VIFPVBQESA-N 287.323 0.857 0 50 CCAA COc1ncccc1C(=O)N[C@@H]1CCO[C@@H]1C(=O)O 659173504 CRPHSMQPWYFJBE-BDAKNGLRSA-N 266.253 0.062 0 50 CCAA C[C@@H]1COC(=O)[C@H]1NC(=O)Cc1ccc2nc(O)[nH]c2c1 2325827117 VNLSDSGFQUOREV-KRTXAFLBSA-N 289.291 0.489 0 50 CCAA O=C(O)c1c(-c2ccccc2)o[nH]c1=NCCOCCO 2356144748 KUFHSKNIUMNYGA-UHFFFAOYSA-N 292.291 0.883 0 50 CCAA COCCN1Cc2nnc(Cn3ccnc3)n2[C@@H](C)C1=O 2356157210 FPTGMNLRKVZTSM-JTQLQIEISA-N 290.327 0.073 0 50 CCAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2cnco2)C1 2356158769 YQCRUTASTHBCNY-OAHLLOKOSA-N 299.334 0.997 0 50 CCAA CC(C)Nc1nc(NC(C)C)nc(N(C#N)C(=N)N)n1 4729485 ORPZTHIWSFIUJZ-UHFFFAOYSA-N 277.336 0.693 0 50 CCAA CC(=O)CN1[C@@H](C(C)=O)C(=O)c2ccccc2S1(=O)=O 101363592 VRGAFZDTPUAFDA-LBPRGKRZSA-N 295.316 0.420 0 50 CCAA CCOC(=O)Cc1cc(=O)n2nc(C(F)(F)F)nc2[nH]1 100726933 AIXQPJVPDOOITH-UHFFFAOYSA-N 290.201 0.542 0 50 CCAA COCCNC(=O)C1CCC(C(=O)NCCOC)CC1 55142631 XWHPCWIGFBQFGY-UHFFFAOYSA-N 286.372 0.318 0 50 CCAA COc1ccc(OC)c(-n2c(CN)n[nH]c2=O)c1 65509181 LMGNTKRBASMFFW-UHFFFAOYSA-N 250.258 0.037 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)[C@@H]1CCCCO1 128263143 QIFVNFMVKSQTNF-ZJUUUORDSA-N 257.286 0.258 0 50 CCAA COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC1=O 38978249 MVZLAUYYGDJPEA-QMMMGPOBSA-N 257.286 0.986 0 50 CCAA in-vitro Cc1ccc([C@@H](C(=O)NCc2nc(=O)[nH][nH]2)N(C)C)cc1 215819325 MNXKOHBRWHJABI-LBPRGKRZSA-N 289.339 0.326 0 50 CCAA O=C1C[C@@H](NS(=O)(=O)N2CCCC2)[C@H]2CCCCN12 328782713 HSMKYODXAHQYDJ-GHMZBOCLSA-N 287.385 0.070 0 50 CCAA CC[C@H](C(N)=O)N1CCC[C@@H]1[C@H]1CCCN1C(C)=O 257365331 LNAPRRBTQWBTNU-JHJVBQTASA-N 267.373 0.726 0 50 CCAA CNC(=O)c1ccc(=NC[C@@H]2OCCc3ccccc32)[nH]n1 363299650 SCSDAKJLUPZTTE-AWEZNQCLSA-N 298.346 0.984 0 50 CCAA O=C([C@H]1CCCN(C(=O)[C@@H]2CC23CC3)C1)N1CCNCC1 335398046 DSNNMBHYTBAGKH-STQMWFEESA-N 291.395 0.457 0 50 CCAA CO[C@@H](C(=O)N(C)C1CCN(C)CC1)c1cnn(C)c1 281180306 LSGZDUXIMOQRQS-CYBMUJFWSA-N 280.372 0.660 0 50 CCAA Cc1cnc(N2CC[C@](O)(CN(C)C)C2)nc1N(C)C 72478905 HGRUXFGIJGTLGF-AWEZNQCLSA-N 279.388 0.354 0 50 CCAA CC(=O)N1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 331827523 AXNPTPZRIYLFRY-CYBMUJFWSA-N 292.383 0.968 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@@H](OCC3CC3)C2)CC1 368741821 NOUXRYGDMWVADF-GFCCVEGCSA-N 280.368 0.930 0 50 CCAA C[S@@](=O)C1(CNC(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 332696213 XYPSJSRLNPIWFS-WVDJIFEKSA-N 296.396 0.477 0 50 CCAA CN(C[C@H]1CCCO1)C(=O)NCCCn1ccnn1 183572062 RVCIMXRYVGLPNG-LLVKDONJSA-N 267.333 0.489 0 50 CCAA C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 333037872 DMNMPVANBZTQCM-USZNOCQGSA-N 289.397 0.850 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(-c3ccn[nH]3)o2)C1 284684676 YIPACSFAIJDNTQ-JQWIXIFHSA-N 290.323 0.744 0 50 CCAA Cc1ncc(C(=O)N[C@H](C(=O)O)C(C)C)c(O)n1 426678154 RHNWHIAUOOMFSJ-QMMMGPOBSA-N 253.258 0.330 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)N(C)C1CCC(N)CC1 161516748 BUJAEGZYRYLIKT-MCIGGMRASA-N 285.413 0.636 0 50 CCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc2c(c1)OCCO2 96165988 SITJUIIPMIEUSB-JTQLQIEISA-N 295.316 0.498 0 50 CCAA O=C(O)CN1C[C@H](C2CC2)[C@@H](NC(=O)c2ccccn2)C1 91677226 POXGXNZMXGKTTM-YPMHNXCESA-N 289.335 0.606 0 50 CCAA Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nn1C 239165054 NJSODCCAJXQACU-YJFSRANCSA-N 261.281 0.395 0 50 CCAA CCn1c(C)ccc(C(=O)NCCCNC)c1=O 97117458 RXCLWEAPPZEHHI-UHFFFAOYSA-N 251.330 0.516 0 50 CCAA COCc1cc(CNC(=O)c2c(C)cc(C)[nH]c2=O)n[nH]1 91893437 TZRZMGLKRMDKCO-UHFFFAOYSA-N 290.323 0.791 0 50 CCAA C[C@@H](C(=O)N1CCCC1)N1CCc2[nH]nc(C(=O)O)c2C1 244758106 OSLGFHLYEUPQPW-VIFPVBQESA-N 292.339 0.477 0 50 CCAA CC(C)Cc1noc(CNS(=O)(=O)N2CCCC2)n1 534649895 BKPDBBXISAULOY-UHFFFAOYSA-N 288.373 0.698 0 50 CCAA CCn1cc(C(=O)NCc2snnc2C)cn1 292516214 YLJHPXZCCPTVAB-UHFFFAOYSA-N 251.315 0.993 0 50 CCAA CN(C)S(=O)(=O)NCCCC[C@@H]1CCCO1 823725410 DPWNUTRUSVRRAN-SNVBAGLBSA-N 250.364 0.732 0 50 CCAA CCn1ncc(CN(C)c2cncc(C(N)=O)n2)c1C 670439155 UCVBMWYSMQACDN-UHFFFAOYSA-N 274.328 0.737 0 50 CCAA C1CN(C2CNC2)C[C@@H](c2nc(C3CC3)no2)O1 685944696 QONBRCXPXNJFMT-JTQLQIEISA-N 250.302 0.292 0 50 CCAA COc1ccc(/C=C/C(=O)N[C@@H]2CNC[C@@H]2O)cc1OC 1342177030 XDAAMKMEUZRSEQ-XCOQAZTISA-N 292.335 0.166 0 50 CCAA CC(=O)N[C@H]1CCN(CC(=O)NCc2ccc(C)s2)C1 1441086565 VUNXBUGTXCJMQY-LBPRGKRZSA-N 295.408 0.883 0 50 CCAA Cc1ccoc1C(=O)NCC1CCN(C[C@@H](O)CO)CC1 952987403 KNWRXFCOLUBAGZ-CYBMUJFWSA-N 296.367 0.383 0 50 CCAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cncn2C)C1 1362229992 OADQXMNINHVIIW-GXTWGEPZSA-N 276.384 0.905 0 50 CCAA NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3N2)c(F)c1 1553420920 ITWWBWRKJMJJFX-IHRRRGAJSA-N 293.342 0.420 0 50 CCAA CC1(C)CN(C(=O)c2nc(O)nc(O)c2N)CC(C)(C)O1 408425363 FTSPSYBUFRQAJT-UHFFFAOYSA-N 296.327 0.500 0 50 CCAA O=C([C@@H]1CSCN1)N1CCC[C@@H](Cn2cncn2)C1 168579440 YETJDLDSVWJWTQ-MNOVXSKESA-N 281.385 0.179 0 50 CCAA O=C(N[C@H]1CCCN(c2nccnc2O)C1)c1cc[nH]n1 275762959 QVDZVUZONIUJCS-VIFPVBQESA-N 288.311 0.304 0 50 CCAA CN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2CO)c1 170606622 KSIWGRCZLCGKQE-CMPLNLGQSA-N 298.364 0.048 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(CCc2ccccn2)C1 643810304 ZOXGHDWYELMTTM-MRXNPFEDSA-N 291.395 0.929 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cn[nH]c1 644227394 PNWZRFMCGRACCG-TUAOUCFPSA-N 264.329 0.127 0 50 CCAA CCS(=O)(=O)NCCCNC(=O)N1CCCC1(C)C 193848428 KVDABOLJQDNHEG-UHFFFAOYSA-N 291.417 0.900 0 50 CCAA CN(Cc1ccc(OCC(=O)O)cc1)Cc1nnn(C)n1 564578659 YTQPAXRWNRCFHM-UHFFFAOYSA-N 291.311 0.306 0 50 CCAA Cn1ccc(C(=O)N2CCN(c3ccc(F)cn3)CC2)n1 584908370 DXXHWMFMGPJICN-UHFFFAOYSA-N 289.314 0.917 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1CC[C@@]2(C1)CC2(F)F 585005072 WMFIMCHDIIRZNE-ZDUSSCGKSA-N 293.078 0.776 0 50 CCAA O=C(Cn1ncn2nccc2c1=O)N[C@@H]1CC=CCC1 1318962113 KGMONAMILYOBOM-SNVBAGLBSA-N 273.296 0.116 0 50 CCAA Cc1cc(CNC(=O)N[C@@H](C)c2nnnn2C)ccn1 1615614856 LXAOLDKBURCGKG-VIFPVBQESA-N 275.316 0.474 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1cnc(C2CC2)nc1 1616093948 DZOYTHAGALGATR-RYUDHWBXSA-N 286.335 0.904 0 50 CCAA CN(CCc1cnn(C)c1)CC[C@@H]1COCCO1 1775981814 WWIMILJVIPREDM-CYBMUJFWSA-N 253.346 0.700 0 50 CCAA N[C@H]1CC[C@H](NC(=O)CCn2c(=O)[nH]c3ccccc32)C1 211184085 LTQRSLKNBJIMHH-QWRGUYRKSA-N 288.351 0.716 0 50 CCAA CC(C)COCCN1CCC[C@@](O)(CC(=O)N(C)C)C1 643811883 CFOHIDPUHBQKLQ-OAHLLOKOSA-N 286.416 0.964 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(Cc1nc3ccccc3[nH]1)C2 1704310019 NUKIEYNGFJWNNV-MNOVXSKESA-N 286.335 0.510 0 50 CCAA CC[C@@]1(C)C[C@@H]1C(=O)N(CCN(C)C)CC(=O)O 153278452 KMZLDCHBFQYAPG-MFKMUULPSA-N 256.346 0.897 0 50 CCAA O[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1Cc1cnccn1 1704299691 QPZDWGZKVFPKIA-MWLCHTKSSA-N 297.322 0.183 0 50 CCAA O=C(CCc1cnccn1)NCc1[nH]nc2ncccc12 1772808893 DVGNHPOMJWCWFQ-UHFFFAOYSA-N 282.307 0.997 0 50 CCAA O=C(N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc(Cl)cc1 1875240867 IULLWLFPPUZOSD-IRCOFANPSA-N 283.711 0.597 0 50 CCAA O=C(Cc1cnn2ccccc12)N1CCO[C@H](CO)C1 648832830 IEOYKRHHTASHFS-LBPRGKRZSA-N 275.308 0.097 0 50 CCAA CN(CCN(C)C1CC1)C(=O)[C@@H]1CCc2cncn2C1 343072144 CTDJAQQTWNWBAP-GFCCVEGCSA-N 276.384 0.998 0 50 CCAA Cc1nc(N2CC[C@](C)(O)[C@H](O)C2)nc2c1CCCC2 248015631 HIURQTKYMLQUJI-HIFRSBDPSA-N 277.368 0.986 0 50 CCAA CN1C(=O)COc2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)O)cc21 262354271 BZNKDQSRTMILMI-IUCAKERBSA-N 290.275 0.701 0 50 CCAA Cn1cc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)nn1 900234194 BRZPUFLMHBRLAH-NSHDSACASA-N 283.291 0.709 0 50 CCAA Cc1cc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)no1 1704315159 OQLCNEFUHMUWJF-UKRRQHHQSA-N 293.367 0.902 0 50 CCAA CC(=O)N[C@@H]1CCN(C(=O)c2n[nH]cc2C)C[C@H]1C 945323271 XAZKOTRUMICJFO-MWLCHTKSSA-N 264.329 0.705 0 50 CCAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)CO)C3)o1 952886478 PWLFTNQGZGGKFC-ZANVPECISA-N 265.313 0.504 0 50 CCAA COCCn1cc(CNc2ccc(OCCO)nc2)cn1 952991755 KTYIOCQWWUGLHR-UHFFFAOYSA-N 292.339 0.908 0 50 CCAA C[C@@H](N=c1ccc2nnnn2[nH]1)c1cc2n(n1)CCCC2 1875286820 IEDXESVAPMOWPO-SECBINFHSA-N 284.327 0.647 0 50 CCAA Cc1ccc2ncc(C(=O)N3C[C@H](CO)C[C@@H]3CO)n2c1 1875286384 RYZYLXXYPPFKOK-VXGBXAGGSA-N 289.335 0.458 0 50 CCAA O=C1CC[C@H](COC(=O)c2cn3cccc(F)c3n2)N1 1875305894 LSBTUAFYOXVDGN-MRVPVSSYSA-N 277.255 0.909 0 50 CCAA Cc1nc(C(F)(F)CNC(=O)C(C)(C)n2cccn2)n[nH]1 1775988292 YQQCFKHSCALRAQ-UHFFFAOYSA-N 298.297 0.953 0 50 CCAA N[C@@H]1CN(Cc2n[nH]c3c2COCC3)CC12CCC2 1775962674 ZPWYKQFSGUOVNU-CYBMUJFWSA-N 262.357 0.796 0 50 CCAA COC(=O)c1ccccc1NC(=O)CN1CCOCC1 20386437 QJTQSGKBZNSNIG-UHFFFAOYSA-N 278.308 0.744 0 50 CCAA COC[C@]1(CNc2ccnc(N(C)C)n2)CCCN1 261587520 JNHSUFNSVQZWOK-CYBMUJFWSA-N 265.361 0.723 0 50 CCAA CC(C)(C)CN(CC(=O)O)C(=O)[C@H]1CCCS1(=O)=O 659781799 LGPLJUMJVMPXLF-SECBINFHSA-N 291.369 0.523 0 50 CCAA NCC[C@@H]1CN(C2CSCCSC2)CCO1 426707190 KYNOEBZXBVRZEP-LLVKDONJSA-N 262.444 0.885 0 50 CCAA CC1(C)CC[C@H](C(=O)N[C@H]2CCC(=O)NC2=O)C1 336559929 SSGQLHHTGLFOQP-IUCAKERBSA-N 252.314 0.734 0 50 CCAA COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 336961676 CHNWFSRTDWLNEC-VQJPJQAJSA-N 265.309 0.431 0 50 CCAA Cc1csc(CNC(=O)[C@@H](N)Cc2cnc[nH]2)n1 670460695 RHKIGZPGMKTOAZ-VIFPVBQESA-N 265.342 0.361 0 50 CCAA CC(C)c1nccc(N2C[C@H](O)[C@@H](N(C)C)C2)n1 365809858 MTXKBJAPHWDEAW-QWRGUYRKSA-N 250.346 0.711 0 50 CCAA CCCN1CC[C@@H](NC(=O)c2cnc(N)s2)C1 584885628 KYXUKGFZYFBWLB-MRVPVSSYSA-N 254.359 0.939 0 50 CCAA CCC[C@H](CNc1nccnc1C(=O)O)N(C)C 584902396 XFVLNAAKVUDLFI-SECBINFHSA-N 252.318 1.317 0 50 CCAA Cc1c(C(=O)NCc2csc(N)n2)cnn1C 827597724 HQUZPARRBFYSRX-UHFFFAOYSA-N 251.315 0.697 0 50 CCAA Cc1cnn2c1CN(C(=O)Cn1nnc3ccccc31)CC2 2325791404 VYNICTHLWMAZOI-UHFFFAOYSA-N 296.334 0.979 0 50 CCAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)Nc1cnsn1 888137993 HKOUSHYJTMLHDL-SFYZADRCSA-N 281.341 0.765 0 50 CCAA c1cn2nc(C3CC3)cc2c(N2CCNCCNCC2)n1 900368613 HOOALCQBUGIIAL-UHFFFAOYSA-N 286.383 0.606 0 50 CCAA CCc1ccc(CNC(=O)N[C@H]2CNC(=O)C2)s1 225682435 IBXYHLVFKPVXAW-MRVPVSSYSA-N 267.354 0.998 0 50 CCAA O=C(NCC1(C2CC2)CCC1)N1CCN2C(=O)NC[C@H]2C1 133226072 ZQZSLLJPXHEBLL-LBPRGKRZSA-N 292.383 0.986 0 50 CCAA Cc1nnnn1-c1cccc(NC(=O)[C@H]2CCOC2)c1 69353660 VDYCIYOKGVLCKS-JTQLQIEISA-N 273.296 0.946 0 50 CCAA O=C(Cc1cnc[nH]c1=O)NCCCc1ccccn1 215239368 VUDPSMMEHJTYQR-UHFFFAOYSA-N 272.308 0.456 0 50 CCAA COC[C@@H](N)C(=O)N1CCN(Cc2cccc(F)c2)CC1 72419851 KPAXLUAJNZJEJM-CQSZACIVSA-N 295.358 0.444 0 50 CCAA O=c1c2ccsc2ncn1CCN1CCNCC1 32511717 QWXJWCHIBXLGNZ-UHFFFAOYSA-N 264.354 0.363 0 50 CCAA C[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)[C@@H]1C(=O)O 235618746 QSGHAAXOCGKHED-KWQFWETISA-N 264.281 0.700 0 50 CCAA O[C@@H](Cn1nnnc1-c1ccccn1)C(F)(F)F 158259709 PVXFZJYCCYRWPC-ZETCQYMHSA-N 259.191 0.658 0 50 CCAA O=C(CNC(=O)[C@@H]1CCCN1)Nc1ccc2c[nH]nc2c1 261611103 CAWJEZSSGRZCDW-NSHDSACASA-N 287.323 0.370 0 50 CCAA O=C(COc1cccnc1)NCc1ccc2[nH]c(=O)[nH]c2c1 218941045 GJEYWHBQIWQGJV-UHFFFAOYSA-N 298.302 0.946 0 50 CCAA O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2nccnc2n1 333528863 INOUQFUDJKQDIP-SECBINFHSA-N 297.318 0.518 0 50 CCAA O=C(NC1CC1)c1ccc(C(=O)N[C@H]2C[C@@H](O)C2)cc1 333980669 CBZGVUCNJDBKDL-BETUJISGSA-N 274.320 0.832 0 50 CCAA C[C@H]1CN(C[C@H]2CCCN2C(=O)CNC2CC2)C[C@@H](C)O1 237616940 XBMATRVRGHEEFX-VNHYZAJKSA-N 295.427 0.839 0 50 CCAA NC(=O)[C@@H]1COCCN1c1nc(-c2ccccc2)ns1 129125770 ZPMGGESQBKLYBT-JTQLQIEISA-N 290.348 0.896 0 50 CCAA CN1C[C@@H](NC(=O)Cc2ccc(F)cc2)C[C@H]1C(=O)O 219914996 WAEFUQZOKVDRET-RYUDHWBXSA-N 280.299 0.642 0 50 CCAA O=C(NCCc1cccnc1)[C@@H]1CC(=O)N(C2CC2)C1 48426293 HAKLVZHJPGRKIE-GFCCVEGCSA-N 273.336 0.751 0 50 CCAA COC(=O)[C@@H](F)CN1CCN(c2cccs2)C(=O)C1 241644160 POSKWLWMYMHBAU-VIFPVBQESA-N 286.328 0.908 0 50 CCAA Cn1nc2c(c1C(=O)N[C@@H]1COCC[C@H]1O)CCCC2 220529544 FJZSLCQBGXDZNE-VXGBXAGGSA-N 279.340 0.179 0 50 CCAA CN1CCCN(CC(=O)N2CCC[C@@]2(C)C(=O)O)CC1 426622930 LAKCVEZJMZQQNP-AWEZNQCLSA-N 283.372 0.090 0 50 CCAA Cc1ccc(N2CCN(C(=O)[C@@H](C)O)CC2=O)cc1 82092678 JZLKNSKBIXBNHJ-LLVKDONJSA-N 262.309 0.551 0 50 CCAA Cc1ccn([C@H](C)CC(=O)NCCc2nc(=O)o[nH]2)n1 614171941 MWKCZUILDXBGLH-SECBINFHSA-N 279.300 0.178 0 50 CCAA CN(CC(=O)NCCCc1ccccc1F)C(N)=O 426684529 QSHUKRZJXCCMJI-UHFFFAOYSA-N 267.304 0.885 0 50 CCAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H](OCCO)C1 178658830 UHRITARRSUJHDB-NSHDSACASA-N 290.323 0.571 0 50 CCAA Cn1cnnc1CCC(=O)NCc1ccc(CN)cc1 97259333 NVTNOZLBTLBYKO-UHFFFAOYSA-N 273.340 0.523 0 50 CCAA COCC(=O)N[C@H]1CN(Cc2nc(C)no2)C[C@@H]1C1CC1 91325679 PHBUGLVRLRRGTN-NEPJUHHUSA-N 294.355 0.351 0 50 CCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ncoc1C1CC1 616776881 OSBRWRPDPWRKMO-HOSYDEDBSA-N 288.307 0.853 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25C[C@@H]6C[C@@H]6C[C@]12[C@H]5[C@H]43 248004395 BKAQNBNJLVGXDL-NSRYGXKCSA-N 283.331 0.366 0 50 CCAA C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 344337134 DMQNCFCYPADQGJ-UHIISALHSA-N 297.424 0.603 0 50 CCAA CNCCNC(=O)[C@@]1(N)CCc2c(OC)cccc21 911749006 UJGMXNKSTJBEQK-CQSZACIVSA-N 263.341 0.131 0 50 CCAA CO[C@@H]1CN(c2nc(C)cnc2C)C[C@H]1c1cnn[nH]1 621337598 DLLKXAFZHCRURD-CMPLNLGQSA-N 274.328 0.830 0 50 CCAA CNC(=O)Cn1cc(NC(=O)c2cc(C)nc(C)n2)cn1 347678557 WHSMVDCOONDCDD-UHFFFAOYSA-N 288.311 0.288 0 50 CCAA C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CC[C@@H]1C(=O)O 626764323 HVLLWXUMHNLSJR-YTWAJWBKSA-N 297.355 0.393 0 50 CCAA COc1cn(CC(=O)Nc2n[nH]c(C)n2)c(C)cc1=O 263587764 KYMXVMHIQXANES-UHFFFAOYSA-N 277.284 0.231 0 50 CCAA C[C@H](Cc1cnccn1)N(C)C(=O)CCCn1cncn1 299796694 PZZZSVRJNAWWSP-GFCCVEGCSA-N 288.355 0.938 0 50 CCAA CC(C)S(=O)(=O)NC[C@H]1CCC2(CCNCC2)O1 299800898 WJYVLIHLSBEFKR-LLVKDONJSA-N 276.402 0.615 0 50 CCAA Cc1cncc(C(=O)NC2CCS(=O)(=O)CC2)c1 584889408 WVODSXOXFJWYGW-UHFFFAOYSA-N 268.338 0.697 0 50 CCAA Cc1n[nH]c(C)c1CNC(=O)CN(C)C1CCNCC1 670471693 QFYWFHQERVXUST-UHFFFAOYSA-N 279.388 0.327 0 50 CCAA CN(C)Cc1nc(Cc2cccnc2)nn1CCCO 670437715 JEPFJVMUHFUOCL-UHFFFAOYSA-N 275.356 0.708 0 50 CCAA CN(CCC[C@H]1CCCO1)C(=O)CCS(C)(=O)=O 952991866 WQYYCAFKTNMSIH-NSHDSACASA-N 277.386 0.839 0 50 CCAA COc1cc(-n2cnnn2)ccc1NC(=O)c1[nH]cnc1C 952870181 WOAAFHJXOIAIKI-UHFFFAOYSA-N 299.294 0.955 0 50 CCAA COc1ccc2nc(CNC(=O)N[C@H](C)C(=O)O)[nH]c2c1 952986790 GJWUFSSWAHKPNO-SSDOTTSWSA-N 292.295 0.844 0 50 CCAA CC(C)(C)OC(=O)N1CCN2C(=S)NC[C@H]2C1 74942558 LFCBBXBPGMVCDV-QMMMGPOBSA-N 257.359 0.796 0 50 CCAA in-vitro CCC1CCN(C(=O)CN2CCNC(=O)C2)CC1 585129614 PKTGBLBSLBASJG-UHFFFAOYSA-N 253.346 0.067 0 50 CCAA CCN1C[C@H](CN(C)C(=O)c2cc(O)ccc2N)CC1=O 1506402405 OPBLKNQYMSBFHE-JTQLQIEISA-N 291.351 0.915 0 50 CCAA O=C1NCCN(C[C@H]2CCCNC2)C12CCCC2 1506398526 CVNAFTWPOUUPQN-LBPRGKRZSA-N 251.374 0.731 0 50 CCAA Cn1ccnc1CN1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529119164 UDJCPMUVTXFJBP-TZMCWYRMSA-N 272.352 0.851 0 50 CCAA O=C(O)c1cccc(S(=O)(=O)N2CCOCC2)c1 227008 LYGWBPDKDLWHHB-UHFFFAOYSA-N 271.294 0.406 0 50 CCAA in-vitro CO[C@@H]1C[C@H](C(=O)N(C)Cc2ncc[nH]2)CC[C@@H]1O 1704313683 NDNTVUXZOQKPHW-OUAUKWLOSA-N 267.329 0.544 0 50 CCAA O=C(C[C@H]1CC1(F)F)N(CCO)Cc1ncc[nH]1 1704312642 WKPNWBWLUBWQEF-QMMMGPOBSA-N 259.256 0.776 0 50 CCAA Cn1cc(CCNC(=O)c2c[nH]nc2C(F)(F)F)nn1 1875266571 GKTUFUZHGZWTOF-UHFFFAOYSA-N 288.233 0.530 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)C2[C@H]3CCCC[C@H]23)CCO1 147382150 DDNGUQQKJWRPII-GUBZILKMSA-N 253.298 0.735 0 50 CCAA O=C1C[C@@H]2CN(C(=O)Cc3ccccc3O)C[C@@H]2CN1 1775977940 LWKWLQLONIHGCG-NEPJUHHUSA-N 274.320 0.529 0 50 CCAA CC[C@@]12COC(=O)N1CCN(c1cc(OC)nc(=N)[nH]1)C2 1857701717 ZDIPZTHMDJXZND-CYBMUJFWSA-N 293.327 0.319 0 50 CCAA OCC[C@H]1CN2C[C@H](Nc3ncccn3)C[C@H]2CO1 1857714691 HOBNTHSBPAINPZ-WOPDTQHZSA-N 264.329 0.113 0 50 CCAA CNC(=O)NCC(=O)N1CCC[C@@H](c2nc(C)no2)C1 408013762 OLPQJTUFYSYCET-SECBINFHSA-N 281.316 0.013 0 50 CCAA C[C@@H]1C[C@H](CN2CCN(c3cnn(C)c3)C(=O)C2)CCO1 408145700 ULHUVUSHPMGLRN-CHWSQXEVSA-N 292.383 0.884 0 50 CCAA COc1ccc(F)cc1C(=O)N[C@H]1CCOC[C@@H]1O 629226925 KUNSHUKLNWCCNB-QWRGUYRKSA-N 269.272 0.714 0 50 CCAA Cn1nnnc1CN1CCO[C@@]2(CCc3ccccc32)C1 366794864 AOCPACXAVWAAPI-HNNXBMFYSA-N 285.351 0.884 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCN(C)C(C)(C)C2)c[nH]1 234319885 RZYPRDFUOGQBRO-UHFFFAOYSA-N 263.341 0.850 0 50 CCAA Cc1cc(-c2noc([C@@H]3CN(C)CCO3)n2)cc(=N)[nH]1 1875285852 CXJSEHLOWJDDML-JTQLQIEISA-N 275.312 0.856 0 50 CCAA CN1C(=O)[C@@H](NC(=O)C2(O)CC2)Cc2ccccc21 1875293800 CSFFZGPZAGTKHO-JTQLQIEISA-N 260.293 0.215 0 50 CCAA O=C(O)C[C@@H]1C[C@@H](F)CN1C(=O)c1cnn2ncccc12 1775998590 GFOZLBOWIRUHCT-BDAKNGLRSA-N 292.270 0.757 0 50 CCAA O=S(=O)(Cc1ccccc1)N1CCN(CCO)CC1 20494640 COIQJAKPPPRCQO-UHFFFAOYSA-N 284.381 0.126 0 50 CCAA COC[C@H](O)CN(C)C(=O)[C@H]1Cc2ccccc2N1 155708890 NRJOXPVZTCOARY-DGCLKSJQSA-N 264.325 0.489 0 50 CCAA CNC1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 178951212 YPKFYYCFZCPMDX-GFCCVEGCSA-N 276.402 0.569 0 50 CCAA O=C(CCn1cnnn1)N1CCC[C@H](c2ccn[nH]2)C1 67741123 ZSGOQJZWOWFKLO-JTQLQIEISA-N 275.316 0.193 0 50 CCAA O=C(CNC(=O)c1ccc2n[nH]cc2c1)NCC(F)F 566949593 UOUHXWSJXGHCGE-UHFFFAOYSA-N 282.250 0.674 0 50 CCAA CCCOC[C@@H]1CCN(C(=O)c2cc(N)n[nH]2)C1 584885695 UGDFKDAHIGMYHF-SECBINFHSA-N 252.318 0.881 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)c(F)c1 1615707705 HOBCZYWPGINCDH-UWVGGRQHSA-N 277.292 0.837 0 50 CCAA O=C(O)[C@@H]1CC12CCN(C(=O)CCc1cnn[nH]1)CC2 2325762884 OBCKXOULRBHCJJ-JTQLQIEISA-N 278.312 0.451 0 50 CCAA CO[C@]1(CN)C[C@H](C(=O)N2CCC[C@@H]2c2nc[nH]n2)C1 2325795884 CQISPFPAFNXQDA-BREBYQMCSA-N 279.344 0.222 0 50 CCAA O=C(O)c1ccccc1N1CCS(=O)(=O)CC1 166320 DZCCOELGUIUSRY-UHFFFAOYSA-N 255.295 0.620 0 50 CCAA Nc1ccc(S(=O)(=O)NC2=NCCS2)cc1 306171 LWDXETNVADTEDC-UHFFFAOYSA-N 257.340 0.650 0 50 CCAA COc1ccccc1OCC(=O)N1CCN(C=O)CC1 307532 BKAKCCXNEJVZGQ-UHFFFAOYSA-N 278.308 0.375 0 50 CCAA Cc1cc(NC(=O)CCn2nnnc2C)c(O)nc1C 2356149637 NJBXHGLNMDVENR-UHFFFAOYSA-N 276.300 0.728 0 50 CCAA Cc1noc(CN2CCC[C@]23CCCN(CCO)C3=O)n1 2356163517 HFUAZCDISBGLFY-AWEZNQCLSA-N 294.355 0.327 0 50 CCAA C[C@@H]1C[C@@H](N2CCCC[C@H]2Cn2cncn2)C(=O)O1 247841285 QBOLTWQRSNWQDA-GRYCIOLGSA-N 264.329 0.837 0 50 CCAA Cc1ccc(CCNC(=O)CNC(=O)N(C)C)s1 216439978 FPROKAZAZKODEC-UHFFFAOYSA-N 269.370 0.986 0 50 CCAA CC(=O)OCCn1c(C)nc2c1CC[C@@H](C(=O)O)C2 216712455 OKFKOZGRRZVTIR-SNVBAGLBSA-N 266.297 0.944 0 50 CCAA CC(C)(C)OC(=O)NC1CN([C@@H]2CCCNC2)C1 39952016 GMBLUCQZYCOUNU-LLVKDONJSA-N 255.362 0.947 0 50 CCAA C[C@H](C1CC1)n1nccc1NC(=O)[C@H]1CNCCO1 150718870 YEWASZMPEDSQRB-MWLCHTKSSA-N 264.329 0.781 0 50 CCAA CC(C)[C@H](O)CN1CCCN(S(=O)(=O)C2CC2)CC1 366597937 AOCWMYSPYNHDJG-CYBMUJFWSA-N 290.429 0.503 0 50 CCAA CCC[C@](C)(O)C(=O)NCc1nnc(S)n1CC 125222332 PJLJNJJUUSHYTM-NSHDSACASA-N 272.374 0.754 0 50 CCAA CCc1n[nH]c2c1CN(C(=O)c1cnc(O)cn1)CC2 219978691 YJRAEOOHVGOPPF-UHFFFAOYSA-N 273.296 0.666 0 50 CCAA C=CC(=O)NCCC(=O)NCc1nc2ccccc2[nH]1 490584053 VXQIBPGGHYDJRB-UHFFFAOYSA-N 272.308 0.871 0 50 CCAA CN1CCC(N2CC[C@H](N(C)C(=O)c3cc[nH]n3)C2)CC1 370838491 LOJXQXQUCMWWHW-ZDUSSCGKSA-N 291.399 0.650 0 50 CCAA CCN1CC(NC(=O)c2ccc(N)cc2)CN1CC 38777980 QYEFGQXADUQZAQ-UHFFFAOYSA-N 262.357 0.940 0 50 CCAA CCc1ccc(C(=O)NC2CCN(CC(=O)O)CC2)[nH]1 219253492 MRYPLTOZSVVHCL-UHFFFAOYSA-N 279.340 0.856 0 50 CCAA CN(C)S(=O)(=O)Nc1cccc(F)c1-c1nc[nH]n1 373211689 VZTXTFXWSHYUNK-UHFFFAOYSA-N 285.304 0.829 0 50 CCAA Cn1cncc1C(=O)N[C@@H]1CCC(=O)NC1(C)C 336559114 QKLBCMJUFWPOMV-SECBINFHSA-N 250.302 0.207 0 50 CCAA O=C(NCc1cc(O)ncn1)c1n[nH]c2ccccc12 219412377 AQIFULAQENMNMS-UHFFFAOYSA-N 269.264 0.989 0 50 CCAA CCCn1nc(C)c(CNC(=O)CNC(N)=O)c1C 222342272 DUJYBIGXDACTSA-UHFFFAOYSA-N 267.333 0.194 0 50 CCAA COCc1noc(CCNC(=O)[C@H]2CCC[C@@H](O)C2)n1 222289067 YGQJCQNVLYGYDJ-VHSXEESVSA-N 283.328 0.426 0 50 CCAA COC[C@@H]1CCN(C(=O)Cn2nc3ccccc3n2)C1 223694335 UQVWRQJTLDLCOX-LLVKDONJSA-N 274.324 0.926 0 50 CCAA Cc1ccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 426435001 UCVFPMZYUBDFTC-KBPBESRZSA-N 277.368 0.811 0 50 CCAA CC[C@@H]1CCCCN1CC(=O)NC1(C(=O)O)CC1 426440245 GUVVVPBKKJZUDK-SNVBAGLBSA-N 254.330 0.984 0 50 CCAA CCn1nncc1C(=O)N[C@H](C)c1cn(C)nc1C 293025254 LQLXDGSUEZTAKY-MRVPVSSYSA-N 262.317 0.831 0 50 CCAA O=C1CC[C@H](C(=O)N2C[C@H](F)C[C@H]2CO)n2cccc21 333276145 IPSFCYJUIUNNJN-JFGNBEQYSA-N 280.299 0.937 0 50 CCAA CC(C)N1CCO[C@H](CC(=O)N(C)CCn2cccn2)C1 97655308 PLVVVTZNJSLXJM-CQSZACIVSA-N 294.399 0.841 0 50 CCAA CC(C)(C)c1nnc(N2CCS(=O)(=O)CC2)o1 91974290 PAPIDRFKHVJAEZ-UHFFFAOYSA-N 259.331 0.602 0 50 CCAA Cc1ccc(N2C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C2)nn1 91724852 AXFGIWKEVLLBCE-NEPJUHHUSA-N 298.412 0.795 0 50 CCAA CC[C@H](C(=O)N(C)C1CCS(=O)(=O)CC1)n1cccn1 91931913 YYRZQXJCHAFZIG-GFCCVEGCSA-N 299.396 0.870 0 50 CCAA CC[C@H](C)[C@H](NC(=O)c1cc(=O)c(OC)c[nH]1)C(N)=O 97631960 PYTRJLQZQVLFTE-CPCISQLKSA-N 281.312 0.013 0 50 CCAA Cc1cc(NC(=O)Cn2cnn(C(C)(C)C)c2=O)no1 180619867 QQBFLWWABWOVFF-UHFFFAOYSA-N 279.300 0.735 0 50 CCAA Cc1nc(CC(C)C)cc(C(=O)NC[C@]2(O)CCNC2)n1 244873046 WJFMMYQJQZNBBH-HNNXBMFYSA-N 292.383 0.438 0 50 CCAA CCOc1cc(N2CC(N3CCNC3=O)C2)ncn1 295629742 BWHVFJVJXIDNBL-UHFFFAOYSA-N 263.301 0.089 0 50 CCAA Cc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)cc1C 251993405 JWZXDMQOJGLNJM-RMTQGBGSSA-N 267.325 0.543 0 50 CCAA O=C1C[C@H](C(=O)NCCn2ccnn2)C2(CCCC2)O1 534651520 BNVJQALUPOFVEC-SNVBAGLBSA-N 278.312 0.270 0 50 CCAA O=C(NC[C@H]1CNCCO1)c1cccc(-c2ncc[nH]2)c1 534658056 GLMBXYWEPVFVJI-CYBMUJFWSA-N 286.335 0.795 0 50 CCAA Cc1cc(O)cc(C(=O)NCCCN2CCC[C@@H](O)C2)n1 299792690 GQTSUNQOYUIXIP-GFCCVEGCSA-N 293.367 0.672 0 50 CCAA O=C(CCC(=O)Nc1nncs1)NC[C@H]1CCCCO1 827814602 CMEXXZMCNJHPIJ-SECBINFHSA-N 298.368 0.942 0 50 CCAA CN1CCC(C)(C(=O)N2CCN(C)[C@H](CCO)C2)CC1 584889514 JFHIWTYNUVYXNI-CYBMUJFWSA-N 283.416 0.243 0 50 CCAA CCCOC[C@@H]1CCN(C(=O)CN2CCCN(C)CC2)C1 584886883 QKWCBHCJHQSQKC-OAHLLOKOSA-N 297.443 0.899 0 50 CCAA CCNC(=O)[C@@H]1CCN(CC(=O)NC2CCCCC2)C1 670469110 KSUSQDWVPAYBID-GFCCVEGCSA-N 281.400 0.893 0 50 CCAA Cc1ccncc1CNC(=O)C1(S(C)(=O)=O)CC1 1358268650 ZRMZXNTVVSRWEV-UHFFFAOYSA-N 268.338 0.583 0 50 CCAA CC(C)c1cc(C(=O)NC2(C(N)=O)CCCC2)nc(N)n1 952974430 NZIGCPCNCBXDPB-UHFFFAOYSA-N 291.355 0.710 0 50 CCAA COc1cc(O)ncc1C(=O)N[C@]12CCC[C@H]1CNC2 1579138859 WWEQYLKDBIKBJO-XPTSAGLGSA-N 277.324 0.668 0 50 CCAA CCCc1cc(N2CCCNC(=O)[C@H]2C)n2ncnc2n1 170606339 BKPMPJICUIUYLU-SNVBAGLBSA-N 288.355 0.792 0 50 CCAA Cn1cc(C(=O)NC[C@H]2Cc3ccccc3CN2)nn1 721066271 CKRJLKXNJLDYFS-GFCCVEGCSA-N 271.324 0.259 0 50 CCAA Cc1ncccc1NC(=O)CN1CCCC[C@@H](O)C1=O 644377978 UPWWHCWAFLXQIL-GFCCVEGCSA-N 277.324 0.702 0 50 CCAA O=C(COCC1CC1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 583620432 NXLUGJQHRMKNHV-MGPQQGTHSA-N 283.368 0.801 0 50 CCAA CC(C)[C@H](CCO)NC(=O)c1ccn2nccc2n1 585129253 CVCPQUBHWZFBQD-JTQLQIEISA-N 262.313 0.866 0 50 CCAA O[C@@H]1CCc2cnn(Cc3nnnn3-c3ccccc3)c2C1 682188828 INUVOLSXJCEQLK-CYBMUJFWSA-N 296.334 0.757 0 50 CCAA NC(=O)[C@@H]1CCCN(C(=O)CN2CCCCCC2)C1 25407283 ZXQQFHXDWQNXQI-GFCCVEGCSA-N 267.373 0.586 0 50 CCAA CNC(=O)c1cc(=NC(=O)c2oc(C)nc2C)[nH][nH]1 1875247255 HRPYNHBUGCPHRG-UHFFFAOYSA-N 263.257 0.048 0 50 CCAA CCn1ccnc1CN(CCO)Cc1cnc(C)[nH]1 1704314080 WHPXUCVTCJDGPR-UHFFFAOYSA-N 263.345 0.929 0 50 CCAA Cc1cc2[nH]cc(C(=O)N(C)CC(F)(F)F)c(=O)n2n1 1857691183 YYFUTMAGCLVETL-UHFFFAOYSA-N 288.229 0.965 0 50 CCAA COc1nc(N2CCOC[C@H](CN(C)C)C2)ncc1F 1772702511 WKJYSCXUDLRGGL-SNVBAGLBSA-N 284.335 0.639 0 50 CCAA CCc1ncnc(N2C[C@H]3[C@@H](C2)C3(CO)CO)c1F 1772818429 FBEKTYCYPIVTOQ-DTORHVGOSA-N 267.304 0.215 0 50 CCAA Nc1cc(=O)[nH]c(SCC(=O)N2CCCCC2)n1 5042673 HYOPRFPLUIDYHX-UHFFFAOYSA-N 268.342 0.457 0 50 CCAA Nc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1F)CC(=O)N2 11330430 QAMXVEWKCSAABG-ZETCQYMHSA-N 274.255 0.965 0 50 CCAA COC(=O)c1cc2c(=O)n(-c3nnc(C)[nH]3)ccc2nc1C 12323363 PFQXPGGAZLXIIY-UHFFFAOYSA-N 299.290 0.907 0 50 CCAA C/C(N)=C/C(=O)OCCSCCOC(=O)/C=C(/C)N 17837401 GZVBGWRBVGVPLI-XOHWUJONSA-N 288.369 0.531 0 50 CCAA C[S@](=O)CCCn1c(=O)[nH]c2ccccc2c1=O 153361460 BIDLVFXKIVLCMV-GOSISDBHSA-N 266.322 0.458 0 50 CCAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CC1 1075346 WHLAPMQDSXFAGI-QMMMGPOBSA-N 286.328 0.771 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1ncc(F)cc1F 643939874 VJOLFOODFJRCFX-CYBMUJFWSA-N 299.277 0.466 0 50 CCAA CN(C[C@@H]1CCCC[C@H]1O)C(=O)N[C@H]1CCOC1 253369620 FSYIJGMPCYWSBF-SDDRHHMPSA-N 256.346 0.968 0 50 CCAA Cc1cc(CNC(=O)c2cc3n(n2)C[C@@H](C)NC3=O)ccn1 1875274325 MUQLAHCBZUPQND-SNVBAGLBSA-N 299.334 0.648 0 50 CCAA CO[C@@H]1CCNC[C@H]1C(=O)NC[C@@H](N)c1ccc(C)cc1 1875315739 GEDGNRZCKOOAQJ-RBSFLKMASA-N 291.395 0.736 0 50 CCAA NC(=O)C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1O 1875403023 PABTUMIRPKAFDR-BXKDBHETSA-N 277.324 0.200 0 50 CCAA COCc1nc(O)cc(N2CC[C@](F)(CO)C2)n1 893728494 SPCPPQPEJNNNDJ-LLVKDONJSA-N 257.265 0.239 0 50 CCAA OCCOCCN1CCN(Cc2cccs2)CC1 19607120 ZEKCCFFZFWQUHI-UHFFFAOYSA-N 270.398 0.875 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cc(C)nn1C 643848355 BIDLWRPZLMKUPD-CYBMUJFWSA-N 281.312 0.434 0 50 CCAA CN1C(=O)[C@H](C(=O)NC[C@@H]2C[C@H]2CO)Cc2ccccc21 2325791345 QOPCVPUPYPNXKH-AVGNSLFASA-N 288.347 0.566 0 50 CCAA Cc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C1 4185679 XCGMQBNZFYJDNN-JTQLQIEISA-N 253.323 0.912 0 50 CCAA NS(=O)(=O)c1ccc(CCNC(=O)c2ccco2)cc1 4524646 BYBZPPRPAIYRGT-UHFFFAOYSA-N 294.332 0.900 0 50 CCAA CCCn1nccc1C(=O)N1CCN2CCN(C)C[C@H]2C1 106258328 ZGOVUSINCRCLIU-ZDUSSCGKSA-N 291.399 0.365 0 50 CCAA Nc1c(Br)nc(Br)c[n+]1[O-] 100056561 JRFMCGVJMPXJNO-UHFFFAOYSA-N 268.896 0.822 0 50 CCAA CCCn1nc(C(=O)N2CC(N(C)C)C2)ccc1=O 225526066 VJAMZFXCRPIOTH-UHFFFAOYSA-N 264.329 0.039 0 50 CCAA C[C@@H]1[C@@H](N)CCN1S(=O)(=O)c1ccc2c(c1)OCO2 420427802 KRNZNCCDGPRZEW-SCZZXKLOSA-N 284.337 0.526 0 50 CCAA O=C(CN1CCc2ccccc2C1)N1CCOCC1 33359738 QNZGKZVFZQITSM-UHFFFAOYSA-N 260.337 0.904 0 50 CCAA O=C(CCn1cncn1)N[C@@H]1CCN2CCCC[C@@H]12 229384002 BHKDSUSDBPDRFN-NEPJUHHUSA-N 263.345 0.411 0 50 CCAA CNS(=O)(=O)c1ccc(C(=O)NCCCCF)cn1 360509690 SWEVMJDFVBYMQY-UHFFFAOYSA-N 289.332 0.469 0 50 CCAA CN(C)[C@@H]1[C@@H](NC(=O)c2sccc2N)[C@H]2CCO[C@H]21 219053699 SWZLZQURSCLSHD-APHKKCJPSA-N 281.381 0.778 0 50 CCAA CC(C)C[C@H]1C(O)=NCCCN1CC(=O)N1CCOCC1 328802481 ZXOJJRRLCYEIMO-ZDUSSCGKSA-N 297.399 0.922 0 50 CCAA CN1C[C@]2(CCN(Cc3cccnc3N)C2)OC1=O 72478213 HJBSAMYKIGIRBO-ZDUSSCGKSA-N 262.313 0.690 0 50 CCAA Cn1cnnc1CCC(=O)N[C@@H]1c2ccccc2C[C@H]1O 214983312 BOMZXPHWRAFSTQ-IUODEOHRSA-N 286.335 0.522 0 50 CCAA CC[C@@]1(O)CCN(c2ncc(F)c(N(C)C)n2)C[C@H]1O 72478921 OGFMWTTUCMOQCV-ZWNOBZJWSA-N 284.335 0.394 0 50 CCAA CC1=C[C@@H](C)CN(S(=O)(=O)[C@H](C)C(=O)N(C)C)C1 336290917 XTDDLLWCBMNOQY-MWLCHTKSSA-N 274.386 0.691 0 50 CCAA CC[C@H](CO)NS(=O)(=O)c1cc(OC)ccc1OC 35609985 ABHAQPQVBSQWHY-SECBINFHSA-N 289.353 0.753 0 50 CCAA CC(C)(CN)C(=O)N1CCC[C@@H](Cn2cncn2)C1 236595067 ILMSRKKFCRNTRL-LLVKDONJSA-N 265.361 0.502 0 50 CCAA CC(C)c1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)n(C)n1 236600922 OJMIGUHNAPCOGA-SNVBAGLBSA-N 295.339 0.859 0 50 CCAA Cn1cc([C@@H](NC(=O)c2cnccn2)C2CC(O)C2)cn1 220157946 WBHSTDMJPQQGHH-OCTTZUBCSA-N 287.323 0.452 0 50 CCAA Nc1nc(=NCCc2cccnc2)cc([C@@H]2CCOC2)[nH]1 426444563 LAZVLULYWPKYRJ-GFCCVEGCSA-N 285.351 1.034 0 50 CCAA Cc1nc(CCNC(=O)c2cncc(=O)[nH]2)sc1C 426624991 ZQIMRUQMPABHNN-UHFFFAOYSA-N 278.337 0.816 0 50 CCAA CC[C@@H](C(=O)N[C@@H](C)c1nc[nH]n1)N1CCCC1=O 176748523 XCZJUYNIHWOOSD-IUCAKERBSA-N 265.317 0.383 0 50 CCAA Cc1ccn2cc(C(=O)N[C@H](C(N)=O)C(C)C)nc2c1 337129506 ITXOTEVLOWIBCX-LBPRGKRZSA-N 274.324 0.882 0 50 CCAA COCc1csc(C(=O)NCc2nc(C(N)=O)co2)c1 617486962 IZTMHEWMDWMXAK-UHFFFAOYSA-N 295.320 0.911 0 50 CCAA CC(C)c1nccn1[C@@H](C)C(=O)NCCN1CCNC1=O 95372854 BJWRNSDELWGIIH-NSHDSACASA-N 293.371 0.709 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1CO 179616358 VHAFLHRGEIWVCN-TUAOUCFPSA-N 257.330 0.554 0 50 CCAA CS(=O)(=O)c1ccc(NC(=O)NC2CCOCC2)cn1 298719504 UIVADOCMMFTKJS-UHFFFAOYSA-N 299.352 0.786 0 50 CCAA CCCCO[C@@H](C)C(=O)N1CCOC[C@H]1C(=O)O 299751552 QYWOHCXJGIQRFA-UWVGGRQHSA-N 259.302 0.504 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)c1cncn1C 534675347 UFOKMWJBRXUVSB-SECBINFHSA-N 262.317 0.913 0 50 CCAA Cc1cnccc1C(=O)N1CCN2CCN(C)C[C@H]2C1 299803100 WPAXFTHMUSVLTK-ZDUSSCGKSA-N 274.368 0.462 0 50 CCAA COc1cccc(C)c1C(=O)N(CCO)CCO 828754076 XXYGPTRXYIGOQE-UHFFFAOYSA-N 253.298 0.430 0 50 CCAA OC1(CN2CCCC2)CCN(C[C@@H]2CCOC2)CC1 828605377 SUQZBSHUETXCDX-AWEZNQCLSA-N 268.401 0.946 0 50 CCAA CC[C@H](C(=O)NCC1CCN(CCO)CC1)N(C)CC 828759856 IABPALUYUSUQAR-CQSZACIVSA-N 285.432 0.537 0 50 CCAA O=c1c2cnccc2ncn1CC1(CO)CCOCC1 584903554 PVTKMWMCPGWSIE-UHFFFAOYSA-N 275.308 0.581 0 50 CCAA CN1CCCC[C@H]1CCC(=O)N1CCCNC(=O)C1 584902789 SZUFDHKXTDKPAJ-LBPRGKRZSA-N 267.373 0.599 0 50 CCAA CN1C[C@H](n2cnc3cccnc3c2=O)CCC1=O 584886527 AJGPHBGHDXLGCQ-SECBINFHSA-N 258.281 0.585 0 50 CCAA CN(C)C(=O)c1cncc(N(C)CC(C)(C)CO)n1 670454401 QZFMIJJOKOVILQ-UHFFFAOYSA-N 266.345 0.633 0 50 CCAA Cc1nc([C@@H](C)n2cnc3ccncc3c2=O)n[nH]1 584896505 OEXAGSSTCSBOLD-SSDOTTSWSA-N 256.269 0.827 0 50 CCAA CCCc1cc(CNC(=O)[C@H](C)n2cnnn2)on1 670467838 QVHYJPQOZYQQDH-QMMMGPOBSA-N 264.289 0.491 0 50 CCAA COCc1nocc1C(=O)N[C@H]1C[C@H](N)C12CCC2 1343201746 PTWOKHIKIIOPTA-QWRGUYRKSA-N 265.313 0.821 0 50 CCAA CCCN1C[C@H](NCc2ncnn2CC)CC1=O 952981427 SZSGPDRYGNEYFK-SNVBAGLBSA-N 251.334 0.399 0 50 CCAA CC[C@@H](C(=O)NCC(=O)N1CCCC1)N(C)CC 952967055 YSQCJPIFWJZJIZ-NSHDSACASA-N 255.362 0.455 0 50 CCAA C[C@@H](O)[C@H]1CCN(C(=O)CN2CCCCC2=O)C1 408162255 VCELJRHDWQPXNM-MNOVXSKESA-N 254.330 0.228 0 50 CCAA CC(C)[C@](C)(O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 408259847 ASZVYCRDKKWASA-BREBYQMCSA-N 254.330 0.130 0 50 CCAA COC[C@H]1[C@@H](NC(=O)CCn2cc(C)cn2)[C@H]2CCO[C@H]21 1565505776 ONDGWUSUHQVACA-PAPYEOQZSA-N 293.367 0.748 0 50 CCAA c1nc2cncc(N3CCN(Cc4ccon4)CC3)n2n1 272843441 NLCNZZBCZGPDIG-UHFFFAOYSA-N 285.311 0.435 0 50 CCAA CO[C@@]1(CO)CCCN(C(=O)c2cnn3ccncc23)C1 401695278 JTZIFDKRWOBGEX-AWEZNQCLSA-N 290.323 0.343 0 50 CCAA CC(C)N1C[C@H](C)[C@H](NCc2cc(C(=O)O)nn2C)C1 635307260 KLKPXFMVBGDRAQ-GXFFZTMASA-N 280.372 0.937 0 50 CCAA CN1CCC(O)(CNC(=O)C[C@H]2C=CCC2)CC1 80879904 PYTNQBZDPOOEBD-LBPRGKRZSA-N 252.358 0.916 0 50 CCAA CS(=O)(=O)N1CC(CN2C[C@@H](O)Cc3ccccc32)C1 585116805 JEQLKSDXAQXGBT-ZDUSSCGKSA-N 296.392 0.301 0 50 CCAA Cc1cc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)oc1C 1615038811 MUAGJCLGOAEDHY-SNVBAGLBSA-N 286.353 0.647 0 50 CCAA COc1ccccc1S(=O)(=O)N1CC[C@@]1(C)CO 1775993628 SRVZANYIGHOWPB-LBPRGKRZSA-N 271.338 0.841 0 50 CCAA CCn1cnnc1CCNS(=O)(=O)N1CCCCC1 1506397605 ATBNVDRANNXVTL-UHFFFAOYSA-N 287.389 0.161 0 50 CCAA CN1CCN(C(=O)CCc2ccc(O)cc2)C[C@@H]1CO 215728439 WLZFYUAZPUSFJZ-CYBMUJFWSA-N 278.352 0.460 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC1CCCC1 225696292 CYEWXIMQAJUNGL-ZNSHCXBVSA-N 251.282 0.699 0 50 CCAA CNC(=O)C[C@@H]1CCN(c2cc(N(C)C)nc(N)n2)C1 1704297421 RCWNDNPPGUPJEY-VIFPVBQESA-N 278.360 0.087 0 50 CCAA CN1CCCCC[C@@H]1C(=O)N1CCO[C@@]2(CCNC2)C1 1857704570 XQFGGBZAQLOFNK-UKRRQHHQSA-N 281.400 0.452 0 50 CCAA CCn1[nH]c(C)nc1=NC(=O)CCc1ccncc1 412862632 ROLGAHYVCSEAID-UHFFFAOYSA-N 259.313 0.995 0 50 CCAA Cc1cccc(C(=O)Nc2ccn(CC(=O)O)n2)n1 122690499 FELWCGLKGGYHGY-UHFFFAOYSA-N 260.253 0.923 0 50 CCAA Cc1cc(C(=O)NCc2nncn2C(C)C)n(C)n1 330619791 ZKOHQEDWTWKZQM-UHFFFAOYSA-N 262.317 0.831 0 50 CCAA COC[C@@H]1CCCN(S(=O)(=O)c2ccnn2C)CC1 331555066 BTFSBVJJJAEPCL-LLVKDONJSA-N 287.385 0.857 0 50 CCAA CS(=O)(=O)[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)O)C1 1875272608 SSXCHHIGOXTYKL-QEYWKRMJSA-N 289.353 0.179 0 50 CCAA Cc1nc(C(=O)NCCN2CCOCC2(C)C)c[nH]1 264945475 SCHDMYTUTFZSOL-UHFFFAOYSA-N 266.345 0.559 0 50 CCAA C(=C/CSC1=NCCN1)\CSC1=NCCN1 2312676 LXEXGJOTWAGOFL-OWOJBTEDSA-N 256.400 0.927 0 50 CCAA Cc1nn(C)c2c1[C@H](NC(=O)CCn1cnnn1)CCC2 1857685970 BZUBEIJAZKQAST-SNVBAGLBSA-N 289.343 0.299 0 50 CCAA Cc1nsnc1C(=O)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857702018 WHYULROKYSTWRI-KXUCPTDWSA-N 283.353 0.458 0 50 CCAA NC(=O)N1CCCN(C(=O)[C@]2(C(=O)O)CC=CCC2)CC1 653285651 USUIKQFMJGSLFI-AWEZNQCLSA-N 295.339 0.411 0 50 CCAA CN1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCc2c(O)cccc21 900699519 LWXRCHAGEWPLFY-CKUKBARFSA-N 290.363 0.951 0 50 CCAA CCn1nc(C)c(CN2CCC[C@@H]2CN2CCOCC2)n1 823413700 KFFJFGFZRIRRNP-CQSZACIVSA-N 293.415 0.903 0 50 CCAA c1nnn2c1CN(CCO[C@@H]1CCOC1)CCC2 931745143 YBTNHCJSJNQIMY-GFCCVEGCSA-N 252.318 0.289 0 50 CCAA Cc1nonc1CC(=O)N[C@H]1COc2ccccc2C1=O 845890677 JUEDAFVLNRFAQX-NSHDSACASA-N 287.275 0.681 0 50 CCAA O=C(NC[C@H](O)c1ccc(F)cc1)[C@]1(O)CCCNC1 852811789 KSRDGZDRVYZBAP-JSGCOSHPSA-N 282.315 0.090 0 50 CCAA CCC[C@H](C)NS(=O)(=O)CCN1CCOC1=O 952876965 JFSBRAOQAWGNBB-VIFPVBQESA-N 264.347 0.547 0 50 CCAA COCCNC(=O)c1c2c(nn1C)[C@H](C)O[C@H](C)C2 1875314050 FONHDAGQYBVFRT-BDAKNGLRSA-N 267.329 0.819 0 50 CCAA Cc1cccn2c(=O)cc(N3CC(=O)N(C)[C@@H](C)C3)nc12 1875305267 NVYREAOQTXYXGM-NSHDSACASA-N 286.335 0.670 0 50 CCAA NC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccnc4[nH]ncc34)[C@@H]2C1 1875358849 LRODTSFDVFSRHO-HVSQXUEJSA-N 299.334 0.588 0 50 CCAA CN(C)Cc1cc(C(=O)NCCN2CCOCC2)ccn1 1875339197 DAVXYNLJPRWLBE-UHFFFAOYSA-N 292.383 0.205 0 50 CCAA CNC(=O)NCC(=O)N1CC[C@@H](C(F)(F)F)C1 888015210 GJWBPJGJOSMVEG-ZCFIWIBFSA-N 253.224 0.326 0 50 CCAA CC(C)c1nccc(NC[C@@]2(CO)COCCN2C)n1 895613563 YKHMXQODBSTIEM-CQSZACIVSA-N 280.372 0.705 0 50 CCAA CCN(C)S(=O)(=O)N1C[C@@H](C(=O)O)C[C@@H](C)C1 263168002 JAQNGBYBWAGROK-BDAKNGLRSA-N 264.347 0.226 0 50 CCAA Cc1cc(CNS(=O)(=O)C[C@H]2CCCCO2)n[nH]1 606459305 PEEPSWOTAWVMFS-LLVKDONJSA-N 273.358 0.707 0 50 CCAA Cc1nnc(CSc2nnc(CN)n2C)s1 426666970 JQDFDKVPFMFDJW-UHFFFAOYSA-N 256.360 0.726 0 50 CCAA Cc1nccn1[C@H](C)C(=O)N(CCO)CCN(C)C 426707331 BRDVLVXLMZPXEL-LLVKDONJSA-N 268.361 0.135 0 50 CCAA O=C(N[C@@H]1CC=CC[C@@H]1C(=O)O)[C@@H](O)C1CCOCC1 2325778354 VHHGEXPAADOQCN-TUAOUCFPSA-N 283.324 0.310 0 50 CCAA Cc1cc(C)n(-c2nc(N(C)C)nc(N(C)C)n2)n1 246559 YPTBSTZVTQBWNC-UHFFFAOYSA-N 261.333 0.806 0 50 CCAA O=C(NCc1ccccc1)C(=S)N1CCOCC1 1067092 LEZKCCLIKCHXHA-UHFFFAOYSA-N 264.350 0.962 0 50 CCAA CCOC(=O)c1c[nH]c(=O)n(-c2ccccc2)c1=O 1765162 ULPOPAWGMIWVBA-UHFFFAOYSA-N 260.249 0.703 0 50 CCAA COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CC2)cc1 4854101 AZJKRPXCEGFEML-VIFPVBQESA-N 298.364 0.641 0 50 CCAA CN(Cc1cccnc1)C(=O)NCC(=O)N1CCCC1 109354827 DTUMPWIBALCSEC-UHFFFAOYSA-N 276.340 0.845 0 50 CCAA Cc1nc(NCc2n[nH]c(=O)[nH]2)cc([C@H]2CCCNC2)n1 67908646 MLKGXTDAWVGYBF-VIFPVBQESA-N 289.343 0.276 0 50 CCAA O=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CC(O)C1 67641070 GHQPOWMTMJGVNH-UHFFFAOYSA-N 291.282 0.945 0 50 CCAA CC(C)S(=O)(=O)CCN1CCC[C@]1(C)C(=O)O 232738371 OSVKUSBGXPFXCR-LLVKDONJSA-N 263.359 0.749 0 50 CCAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccncc1 67881119 LBOJMMKRPSPFAU-RYUDHWBXSA-N 276.340 0.148 0 50 CCAA CN(CCCNC[C@@]1(O)CNCCOC1)c1ccccc1 77408001 BDWAUCQVHIYYMM-MRXNPFEDSA-N 293.411 0.453 0 50 CCAA CSCC[C@H](NC(=O)c1cnc2n1CCCC2)C(N)=O 600258636 XXDMQRQGCZSHGU-VIFPVBQESA-N 296.396 0.556 0 50 CCAA Cc1ncsc1CCS(=O)(=O)N1CCC(O)CC1 329558115 FHEDHPLKATYFBX-UHFFFAOYSA-N 290.410 0.781 0 50 CCAA CC(=O)c1cc(CN2CCOC[C@@H](CO)C2)n(C)c1 77356027 NBNONDBITPXOEK-GFCCVEGCSA-N 266.341 0.668 0 50 CCAA c1cc(CN2CC(N3CCOCC3)C2)c2nonc2c1 216306423 GAHSOPIGFJRKLB-UHFFFAOYSA-N 274.324 0.739 0 50 CCAA O=C(c1cccc(CO)c1)N1CCN2CCOC[C@@H]2C1 365995813 HNBRJLHWGDJYQH-AWEZNQCLSA-N 276.336 0.336 0 50 CCAA CC(C)N(C)CC(=O)N1CCC(c2nncn2C)CC1 330666415 IGKADKLMNXOTRR-UHFFFAOYSA-N 279.388 0.861 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)C(=O)O)c2ccccc21 368139497 SAIBGVDTKHDSBH-SNVBAGLBSA-N 262.265 0.685 0 50 CCAA CCOC(=O)C(C)(C)NC(=O)[C@@H]1C[C@@]12CCNC2 369815058 WEAFQYNLKAIJNL-TVQRCGJNSA-N 254.330 0.444 0 50 CCAA O=C(c1cccnn1)N1CCC[C@](O)(CN2CCCC2)C1 77437631 VZUCUOZREFSAAB-HNNXBMFYSA-N 290.367 0.540 0 50 CCAA CC1(C)COCCN1CCNC(=O)N1CC[C@@H](CO)C1 172486905 ZQSJWYWGWVWNET-GFCCVEGCSA-N 285.388 0.121 0 50 CCAA C[C@H]1OCC[C@H]1NC(=O)c1ccnc(-n2cncn2)c1 158739377 ZTAWNFPUPXCFHA-MWLCHTKSSA-N 273.296 0.570 0 50 CCAA Cn1cc(N2CC[C@H](N3CCC[C@H](CCN)C3)C2=O)cn1 443061910 SMDWVQDNYQELRG-OCCSQVGLSA-N 291.399 0.586 0 50 CCAA CC(=O)N[C@H]1CCN(c2nc(C)nc3c2c(C)nn3C)C1 72409494 RAPSMHQPMHWRMN-NSHDSACASA-N 288.355 0.695 0 50 CCAA COC(=O)N1CCCC[C@H]1C(=O)NCCc1cn[nH]c1 221363314 MDEIBVMBXNQFQF-NSHDSACASA-N 280.328 0.689 0 50 CCAA COc1nc(C)ccc1C(=O)N1CCOC[C@H]1CC(=O)O 263268949 HXICXRPUHISHNQ-SNVBAGLBSA-N 294.307 0.714 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccnn1C 220647547 LUJVMGOIGCRHNT-MWLCHTKSSA-N 253.302 0.344 0 50 CCAA Cc1cc(CNC(=O)N2CCN3C(=O)OC[C@H]3C2)on1 426519052 ZZLOJXPNAPKPPD-SECBINFHSA-N 280.284 0.329 0 50 CCAA NC(=O)CN1CCCn2nc([C@H](O)C3CCC3)cc2C1 220706981 RORDMDVPXSHYRT-CQSZACIVSA-N 278.356 0.408 0 50 CCAA CCCc1cc(CNC(=O)c2ccnn2CCO)on1 220098680 IIJJCSVFEMTDFJ-UHFFFAOYSA-N 278.312 0.746 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCSc2nccn2C)[nH]1 426381834 XSYPKJRXPSPPGW-UHFFFAOYSA-N 292.364 0.939 0 50 CCAA Cc1oncc1C(=O)N1C[C@H](CO)[C@H](CN2CCCC2)C1 91643461 SFHXGNARPJTUGK-CHWSQXEVSA-N 293.367 0.759 0 50 CCAA CC(C)(CNC(=O)CCCc1cn[nH]c1)N1CCOCC1 97570843 YOECYFRJILWWJW-UHFFFAOYSA-N 294.399 0.959 0 50 CCAA COc1ccc2c(c1)[C@@H](C(=O)N1CC(O)C1)CC(=O)N2 91620144 JFWULBWXKWSNGN-NSHDSACASA-N 276.292 0.324 0 50 CCAA C[C@H](C(=O)N1CCCC1)N1CCc2[nH]nc(C(=O)O)c2C1 244758105 OSLGFHLYEUPQPW-SECBINFHSA-N 292.339 0.477 0 50 CCAA CCNC(=O)[C@@H]1CCN(C(=O)CCCn2cccn2)C1 252490390 KSKZKTCYDRLUFV-GFCCVEGCSA-N 278.356 0.648 0 50 CCAA O=C(O)[C@H]1C[C@@H]1C(=O)NCCCCn1ccccc1=O 299750080 MPJMJMMKKXHVFA-QWRGUYRKSA-N 278.308 0.465 0 50 CCAA C[C@@H](C(=O)NCCCc1nccs1)N1CCN(C)CC1 264145082 OZGNOJWDNZNBKC-LBPRGKRZSA-N 296.440 0.828 0 50 CCAA Cc1cccc(Cl)c1S(=O)(=O)N1C[C@@H](N)[C@H](O)C1 534651062 MBKQTJMPMRTOLG-NXEZZACHSA-N 290.772 0.341 0 50 CCAA O=C(NCc1noc([C@H]2CCCO2)n1)c1ccc(O)cn1 534650025 LWZHAQSPECHMGX-SNVBAGLBSA-N 290.279 0.952 0 50 CCAA CC(C)C[C@H](CC(=O)O)NC(=O)CCc1nncn1C 820970644 MBNJMHKWOCHNIY-SNVBAGLBSA-N 282.344 0.753 0 50 CCAA COc1nccnc1NCCN1CCC[C@H](CO)C1 828711207 QOCSAWOYZRLTIE-NSHDSACASA-N 266.345 0.601 0 50 CCAA CCOCC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 584904123 RRWIKEHXYVJNNT-SNVBAGLBSA-N 256.346 0.786 0 50 CCAA CN1CCN(c2cc(S(C)(=O)=O)ccc2C=O)CC1 42684450 FDYJNLLUGIQENA-UHFFFAOYSA-N 282.365 0.654 0 50 CCAA in-vitro CN1CCO[C@H](C(=O)N2C[C@H]3CC=CC[C@@H]3C2)C1 685939573 YVJRAZXILDXLND-UPJWGTAASA-N 250.342 0.742 0 50 CCAA C[C@](O)(C(=O)NCc1nc(C2CC2)n[nH]1)C1CC1 1335935246 HQQSLPLHEFNSBW-GFCCVEGCSA-N 250.302 0.459 0 50 CCAA Cn1cnc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccco2)c1 860824529 TWTMVYXQDRZCBC-RKDXNWHRSA-N 295.320 0.622 0 50 CCAA COC(=O)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 71260754 JPCXQRJAHCKBNR-MNOVXSKESA-N 254.330 0.635 0 50 CCAA Cc1cc(C(=O)NS(=O)(=O)C2COC2)ccc1F 408478423 QWYXDPCQESCPMP-UHFFFAOYSA-N 273.285 0.593 0 50 CCAA CC1CCC(N(C)C(=O)CN2C[C@@H](O)C[C@@]2(C)CO)CC1 583650905 BHGZGHZCPGUCHR-UJJWPFCGSA-N 298.427 0.841 0 50 CCAA O=C(COC[C@@H]1CCCO1)N1CCO[C@@H]1C(F)(F)F 585125031 DPGMFPSJMBKIDB-WCBMZHEXSA-N 283.246 0.929 0 50 CCAA CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1O2 245339317 RXQFNSCMOHOTIK-WRWGMCAJSA-N 266.341 0.537 0 50 CCAA CCn1nccc1CCN1CCC[C@@](O)(c2cnn[nH]2)C1 794052150 XECCHFGDJUQDMH-AWEZNQCLSA-N 290.371 0.547 0 50 CCAA C[C@]1(O)CCOC2(CCN(S(C)(=O)=O)CC2)C1 1704299209 OJPWHAMUAWXVQH-JTQLQIEISA-N 263.359 0.342 0 50 CCAA C[C@H](Cn1cncn1)C(=O)NCC1CCNCC1 1506427887 UMHIVXGIXQGHGG-SNVBAGLBSA-N 251.334 0.030 0 50 CCAA CNC(=O)C[C@H]1CCN(c2nccnc2OC)C1 1506414311 XSBFBQNECZDBHE-SECBINFHSA-N 250.302 0.448 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cccnc1 112192321 DUYSTFTULMEYSK-SECBINFHSA-N 256.327 0.587 0 50 CCAA Nc1n[nH]c(C2CCN(CC[C@@H]3COCCO3)CC2)n1 1800412318 YBKGZBOCTAHXPH-LLVKDONJSA-N 281.360 0.372 0 50 CCAA COC(=O)c1c[nH]c(=O)c(I)c1 8729709 LHGAGXUKDZFFSF-UHFFFAOYSA-N 279.033 0.766 0 50 CCAA in-vitro CN1CC[C@H](C(=O)N2CCC[C@H](C(=O)O)C2)CC1=O 133063207 RVWOYEZCTHRJBL-UWVGGRQHSA-N 268.313 0.178 0 50 CCAA CC(C)n1cc(S(=O)(=O)N[C@@H](C)C(=O)O)cn1 261620529 BYKCJFDSMAITSA-ZETCQYMHSA-N 261.303 0.215 0 50 CCAA C[C@@H]1CCN(Cc2nc(N)nc(N)n2)C[C@@H](C)C1 230233326 QNEQIMMOVHRQSR-BDAKNGLRSA-N 250.350 0.904 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cc1 5545857 BAHGCTIAAMBBJI-GFCCVEGCSA-N 282.365 0.942 0 50 CCAA CC(C)(O)[C@@H]1[C@H](N2CCOCC2)C(C)(C)S1(=O)=O 19809072 QZENCEXEELNUEF-UWVGGRQHSA-N 277.386 0.034 0 50 CCAA CCOC(=O)N1CCN(C(=O)C2CCNCC2)CC1 4575952 HLHTXCGELLSSEB-UHFFFAOYSA-N 269.345 0.287 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1ncnn1CC(C)C 643878520 WRRPCFHZWJFLDV-AWEZNQCLSA-N 296.371 1.000 0 50 CCAA CN(CC(=O)O)S(=O)(=O)c1ccccc1OC(F)F 261912789 WQZUXGPFCSIRCF-UHFFFAOYSA-N 295.263 0.993 0 50 CCAA CCc1cc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)on1 1704336943 NEQCOBJEKICRJJ-PWSUYJOCSA-N 279.340 0.526 0 50 CCAA CCn1ncc(CN2CCC[C@]2(COC)C(=O)NC)n1 818191570 BPJGJTBVDGRPAK-ZDUSSCGKSA-N 281.360 0.025 0 50 CCAA N=c1[nH]cc(CNC[C@H]2COCc3ccccc32)c(=N)[nH]1 1875299115 ZUQNDHBHMPGGTJ-LBPRGKRZSA-N 285.351 0.705 0 50 CCAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1N=c1nc[nH]n2cccc12 1875399177 QUVJUZYXSQGWFB-OUCADQQQSA-N 298.350 0.599 0 50 CCAA CCOc1cc(N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)ncn1 1775959370 RAGLCMJFWFXBOT-OPQQBVKSSA-N 275.312 0.858 0 50 CCAA CCNS(=O)(=O)c1ccc(NCCOC)nc1 1776004946 SNQCGENLQYPXKI-UHFFFAOYSA-N 259.331 0.438 0 50 CCAA NC[C@@H]1CCN(C(=O)Cn2c(=O)oc3ccccc32)C1 32511674 WVGHHONYAQTOLA-JTQLQIEISA-N 275.308 0.402 0 50 CCAA C[C@H](C(=O)O)N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 262200272 HFEOPDDZJAJPQW-MGPQQGTHSA-N 283.416 0.950 0 50 CCAA CN1CCO[C@H](C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 172814235 QBGOXEXOBTWTDM-LBPRGKRZSA-N 275.308 0.450 0 50 CCAA C[C@@H](O)CN1CCC(CN(C)Cc2ncnn2C)CC1 177133490 QLGVVSMHSKDOGT-GFCCVEGCSA-N 281.404 0.340 0 50 CCAA CC(=O)N1CCN(C(=O)c2ccccc2C(=O)O)CC1 2456530 ASOGGXZAKFAXHX-UHFFFAOYSA-N 276.292 0.689 0 50 CCAA CC(=O)N/C(=C\c1ccccc1)C(=O)NCC(=O)O 4976600 KHFHYZUGAWUIKD-XFFZJAGNSA-N 262.265 0.364 0 50 CCAA CCc1nnc2ccc(N3CCO[C@@H](CN(C)C)C3)nn12 109321059 SWMQPQHUVPQXGX-NSHDSACASA-N 290.371 0.454 0 50 CCAA CCOC(=O)C(=O)CSc1ncnc2nc[nH]c12 22109244 GYBRDBUPNOFXFE-UHFFFAOYSA-N 266.282 0.577 0 50 CCAA Cn1nc(C(=O)Nc2cc[nH]n2)c2ccccc2c1=O 20598681 XORXEDXTUSIFHP-UHFFFAOYSA-N 269.264 0.909 0 50 CCAA COC(C)(C)C[C@@H](C)NCCS(=O)(=O)N(C)C 67982326 SPQVBMLZLFHLPW-SNVBAGLBSA-N 266.407 0.671 0 50 CCAA CCCCOCC(=O)N1C[C@H](N)C[C@H]1C(=O)NC(C)C 67975331 GYEABRSNMFJRJL-NEPJUHHUSA-N 285.388 0.256 0 50 CCAA CCCn1ccnc1CN1C[C@@H]2CN(C)C[C@]2(C(=O)O)C1 65394185 SFXZYUVXPYJCMO-WFASDCNBSA-N 292.383 0.741 0 50 CCAA CN(Cc1c[nH]nc1-c1ccccc1)C(CO)CO 67770995 JYDOWCDPOBKQEQ-UHFFFAOYSA-N 261.325 0.862 0 50 CCAA NC(=O)CNC(=O)c1cc(-n2cccn2)ccc1Cl 216338921 DUYBQJIQTRVTBW-UHFFFAOYSA-N 278.699 0.741 0 50 CCAA O[C@@]1(CN2CCC(OCc3cccnc3)CC2)CCNC1 72409997 UXRXEWLKQLTLKS-INIZCTEOSA-N 291.395 0.787 0 50 CCAA CC1(C)C[S@](=O)CCN1CCN1CCN=C1O 329661554 OYWNLJTVZCQWOL-QGZVFWFLSA-N 259.375 0.059 0 50 CCAA CC[C@H](NC(=O)CCn1cnnn1)c1ccnn1C 219048459 WADMQCLSNGGBJA-VIFPVBQESA-N 263.305 0.064 0 50 CCAA O=C(O)[C@H]1C[C@H]1C(=O)NCc1ccc(-n2cncn2)cc1 262591685 HVLCCFZSSUZAJE-NEPJUHHUSA-N 286.291 0.604 0 50 CCAA CCOC1CC(C(=O)N2CC(n3cc([C@H](C)O)nn3)C2)C1 376975672 UPKVTHPPRRYSJS-BMQDGWLCSA-N 294.355 0.530 0 50 CCAA c1nc2c(c(N3CCCN4CCC[C@H]4C3)n1)CCNCC2 72476544 SGXPUUSSVDQVHJ-ZDUSSCGKSA-N 287.411 0.839 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3C[C@H]32)cn1C 521394166 GKFWRMDRZTXSBS-MWLCHTKSSA-N 297.380 0.558 0 50 CCAA CN(C)C[C@@]1(O)CCCN(C(=O)c2cncc(F)c2)C1 222974882 HJWJSPIJTAVLAO-AWEZNQCLSA-N 281.331 0.749 0 50 CCAA C[C@@H](NC(=O)c1ncncc1Cl)c1nnnn1C1CC1 239672779 BVFDUUAWRJIOEW-ZCFIWIBFSA-N 293.718 0.942 0 50 CCAA Cc1cc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c(C)o1 285009622 MGBOEUWLQMDHCD-BDAKNGLRSA-N 290.316 0.483 0 50 CCAA CC(=O)c1cccc(C(=O)NC[C@H]2CN(C)CCN2C)c1 221250158 KNJSKRJLRZMVMP-HNNXBMFYSA-N 289.379 0.865 0 50 CCAA COC(=O)c1c(C)[nH]c(C(=O)NCc2cn(C)nn2)c1C 611984873 GLHPZBWTVCGASJ-UHFFFAOYSA-N 291.311 0.477 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)c2cnc(C)c(C)c2)[C@H](O)C1 426512346 VXOYLJPTNPMQLM-ZIAGYGMSSA-N 291.351 0.410 0 50 CCAA Cn1c(=O)c(C(=O)NCCc2cnn[nH]2)cc2ccccc21 426370211 WHWZAYAJIHYDGC-UHFFFAOYSA-N 297.318 0.629 0 50 CCAA CCc1ncc(C(=O)NCCCN2CCC[C@H](O)C2)cn1 95392266 WGAQTDBXKKZNGM-ZDUSSCGKSA-N 292.383 0.616 0 50 CCAA CCn1ncc(CNC(=O)N=c2cc(C)c(C)n[nH]2)n1 528982706 NCHANXGCZDNEDF-UHFFFAOYSA-N 275.316 0.448 0 50 CCAA COC1=CC=C[C@@]23[C@H]4[C@@H]5[C@H]6[C@H](n7c(=O)n(C)c(=O)n74)[C@]12[C@@H]3[C@@H]65 248016581 GMXXBVQRVHKNTC-LLBRPPHISA-N 297.314 0.036 0 50 CCAA Cc1cc(=O)c(OCC(=O)Nc2n[nH]c(C(C)C)n2)c[nH]1 524735733 VJWDIYNQJUYHBH-UHFFFAOYSA-N 291.311 0.942 0 50 CCAA C[C@H](c1ccncn1)N(C)CCCS(=O)(=O)N(C)C 244873514 WRKXSOYYHXHGIG-LLVKDONJSA-N 286.401 0.751 0 50 CCAA COCC(=O)N1CC[C@@H](Nc2ncccc2Cl)[C@H](O)C1 299762904 DATDFTHUMLLXTM-GHMZBOCLSA-N 299.758 0.755 0 50 CCAA Cc1nonc1CC(=O)NCCCN1CCCC[C@@H]1CO 828710813 JEGVIBAMPZNXKK-GFCCVEGCSA-N 296.371 0.274 0 50 CCAA COCCN1CC[C@@H](CNS(=O)(=O)C(C)C)C1 824412439 RZKWFVWEQPZWAH-NSHDSACASA-N 264.391 0.283 0 50 CCAA O[C@H]1CCCN(CCCN=c2cc[nH]cc2F)C1 828627385 JZFLBNAUTUFYBT-NSHDSACASA-N 253.321 0.901 0 50 CCAA CCOCCC(=O)N[C@H]1CCCN(c2cnccn2)C1 584901844 CILSVWCIKQBEPN-LBPRGKRZSA-N 278.356 0.988 0 50 CCAA COCC[C@@H]1CCCN(C(=O)CSCC(N)=O)C1 670441052 CEFIYJQKEGFKAT-JTQLQIEISA-N 274.386 0.480 0 50 CCAA Cc1cccc(-n2ncnc2CNS(C)(=O)=O)n1 670453201 OMEVUVGWCYDITG-UHFFFAOYSA-N 267.314 0.020 0 50 CCAA CCc1nc(CN(C)S(=O)(=O)N2CCCC2)no1 670439695 NSYMCVALVGHSHQ-UHFFFAOYSA-N 274.346 0.404 0 50 CCAA CCCN1C[C@H](NS(=O)(=O)c2cccnc2)CC1=O 670467082 KVVKYRJIXBOEJV-SNVBAGLBSA-N 283.353 0.371 0 50 CCAA O=C(NC1CC(CCO)C1)[C@H]1NCC12CCCC2 1342170675 BKALQRDNPHDAOP-HTAVTVPLSA-N 252.358 0.796 0 50 CCAA Cn1nc(C(=O)OC[C@H]2CCC(=O)N2)cc1OC(F)F 170597012 CQXXTLKWJHYGNQ-ZCFIWIBFSA-N 289.238 0.457 0 50 CCAA CN(CCO)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 192653665 PMUXQOZTZLZYPE-ZDUSSCGKSA-N 276.336 0.742 0 50 CCAA O=C(N[C@@]12CCC[C@H]1NCC2)c1ccc2c(n1)CNCC2 1646780586 COUJFQQXOOSAQZ-GDBMZVCRSA-N 286.379 0.742 0 50 CCAA CN1CCn2nc(C(=O)NC(C)(C)C)cc2C1=O 1857708541 YVCOXULTWGQWCE-UHFFFAOYSA-N 250.302 0.497 0 50 CCAA O=C1C[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)CN1 110353371 PQYORUHORFGIAW-SNVBAGLBSA-N 270.292 0.947 0 50 CCAA NC(=O)/C=C/C(=O)Nc1ccc(N2CCOCC2)cc1 452153 HZFHGGKXLWIYPP-AATRIKPKSA-N 275.308 0.503 0 50 CCAA Nc1nnc(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)s1 212838020 HCKYMYRRHBLNHY-IUCAKERBSA-N 282.369 0.833 0 50 CCAA C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cncc(F)c1 408027996 NLSNKSIBHJSIDQ-XVKPBYJWSA-N 260.290 0.676 0 50 CCAA COCCOCCN1C[C@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1704303661 NHUHJZCMQYMASA-OCCSQVGLSA-N 283.372 0.216 0 50 CCAA COc1cccc(S(=O)(=O)N[C@H]2CCNC2)c1 130744108 LVCHPLIGBNGDGC-VIFPVBQESA-N 256.327 0.335 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)O)C2)cn1 579234232 TZUXYDDCDDNFNQ-DTORHVGOSA-N 270.310 0.532 0 50 CCAA Cc1ncc(Cl)c(N2CCO[C@@H](C(=O)O)C2)n1 1772710614 YPATUTQAMBWWKE-MRVPVSSYSA-N 257.677 0.728 0 50 CCAA COCCn1ccnc1CN1C[C@H]2CCN(C)C(=O)[C@H]2C1 1772812901 RNPNBENVHWWIKU-OLZOCXBDSA-N 292.383 0.440 0 50 CCAA O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1n1cnnc1 18163428 IJSPKZMPNJJNKV-YUMQZZPRSA-N 252.661 0.432 0 50 CCAA C[C@H]1CN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)C[C@@H](C)O1 157735793 MCCIXOYTXXAQIM-JXUBOQSCSA-N 255.314 0.979 0 50 CCAA O=C1C[C@H]2CN(C(=O)Cc3cccc(O)c3)C[C@H]2N1 1857683745 MSZFNEMWPQFKPF-CMPLNLGQSA-N 260.293 0.282 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)N1CCOCC1 911911099 NHUUXXVMZDDBIO-HNNXBMFYSA-N 276.336 0.654 0 50 CCAA C[C@@H](CNC(=O)c1ccc2c(c1)nnn2C)C(=O)O 237320315 BLCOWUXIZJXRNX-ZETCQYMHSA-N 262.269 0.419 0 50 CCAA Cc1ccccc1OCCNC(=O)[C@H]1NCCO[C@@H]1C 261914429 JNAQDEUKXLDXQI-OCCSQVGLSA-N 278.352 0.867 0 50 CCAA CCCS(=O)(=O)N1CCO[C@H](c2ccnn2C)C1 907491254 KFVHYZSWFGPNHM-NSHDSACASA-N 273.358 0.533 0 50 CCAA CCC[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)CO)C1=O 1120855803 TYRKTHUFDIWFDG-SWLSCSKDSA-N 292.335 0.587 0 50 CCAA NC[C@@H]1CCN(C[C@@H](O)COc2ccccc2)C1 864096848 KCNMCRQKHFOQHF-QWHCGFSZSA-N 250.342 0.707 0 50 CCAA CN(C)c1nccc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)n1 952889977 JZUWGGKGVFDSAI-ONGXEEELSA-N 289.343 0.850 0 50 CCAA CCC[C@@H](C)NS(=O)(=O)CCN1CCOC1=O 952876964 JFSBRAOQAWGNBB-SECBINFHSA-N 264.347 0.547 0 50 CCAA Cc1cc(NCCn2ccc(O)nc2=O)nc(C)n1 952991959 FZQARTYXMPVYLZ-UHFFFAOYSA-N 261.285 0.468 0 50 CCAA C/C(=C(/F)C(=O)N1CCN(Cc2nn[nH]n2)CC1)C1CC1 1875274867 UJOKFJVSAJAZOI-XFXZXTDPSA-N 294.334 0.497 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N[C@H]1CCCCNC1=O 1875277349 GRGFKMZJLLHJPO-QMMMGPOBSA-N 295.368 0.628 0 50 CCAA CS(=O)(=O)/C=C/CNC(=O)[C@H]1CCCc2nc[nH]c21 1776006572 WQXMFJPZGCROIT-HMVTZJNGSA-N 283.353 0.504 0 50 CCAA C[C@@H](O)C[C@@H]1CCCCCN1CCS(=O)(=O)N(C)C 311717236 TWRWLSSLVZSFME-OLZOCXBDSA-N 292.445 0.893 0 50 CCAA C[C@H](CS(C)(=O)=O)NCc1cc(C2CC2)n[nH]1 584901412 YXHHXCCWHJAJKK-MRVPVSSYSA-N 257.359 0.810 0 50 CCAA Cn1nncc1CN1CCc2ccccc2[C@H]1C(=O)O 394946880 JVIWCNRBXAMLKG-ZDUSSCGKSA-N 272.308 0.999 0 50 CCAA Cn1nncc1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 845523307 IAWGWYQHUCXZPQ-KXUCPTDWSA-N 296.352 0.222 0 50 CCAA O=C1NC[C@H]2CC[C@H]1N2C(=O)[C@@H]1CCCN1C1CC1 2325790100 MYSCMMHYUPXPSU-UTUOFQBUSA-N 263.341 0.103 0 50 CCAA O=C1[C@H](N=c2[nH]nc(C3CC3)o2)C[C@@H]2CCCCN12 2325790499 QBVNKLPLQAUTNE-VHSXEESVSA-N 262.313 0.934 0 50 CCAA Cc1nonc1NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 875270316 UMIBMWPQCZRKDO-RITPCOANSA-N 281.190 0.663 0 50 CCAA CCN(CC)C(=O)c1ccc[n+](CCC(N)=O)c1 393587 UVRWMHKRGYQXMR-UHFFFAOYSA-O 250.322 0.332 0 50 CCAA COc1cc(C(=O)NCCO)cc(OC)c1OC 1677377 ALIIDDHRSSHZEV-UHFFFAOYSA-N 255.270 0.435 0 50 CCAA COCc1nc(=Nc2ccc(C(=O)N(C)C)cn2)[nH][nH]1 2356135137 QTOXULDFYSKQPW-UHFFFAOYSA-N 276.300 0.213 0 50 CCAA COC(=O)[C@@H](CCCN)NC(=O)c1ccccc1 4762514 RDQQPDCPZUNFDX-LLVKDONJSA-N 250.298 0.697 0 50 CCAA O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccncc1 112033725 OMUYOBLTFKMAHW-VIFPVBQESA-N 287.241 0.975 0 50 CCAA O=C(N[C@@]12CC[C@@H](O)[C@@H](SC1)[C@H]2O)c1ccccc1 101109658 TWFRZCLIGNYBCR-BYNQJWBRSA-N 279.361 0.786 0 50 CCAA Cc1cn2cc(CNC(=O)Cn3cncn3)nc2s1 20540450 RBFYIJSESHTCAM-UHFFFAOYSA-N 276.325 0.612 0 50 CCAA CC1(C)CN(Cc2cc(C(N)=O)cs2)C[C@@H](CO)O1 421361233 KPXKGCKWDIDRLO-JTQLQIEISA-N 284.381 0.819 0 50 CCAA Cc1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)O)cc1O 65404398 KVQHETJEOWYVNH-WDEREUQCSA-N 279.292 0.751 0 50 CCAA COC(=O)[C@@H]1CNCC12CN(C(=O)OC(C)(C)C)C2 409434473 XIPQSKRVVLHMNT-VIFPVBQESA-N 270.329 0.616 0 50 CCAA O=C(C[C@@H]1COCCN1)NCCSc1ccccn1 72137113 ZOXXJGIYFAPMAP-LLVKDONJSA-N 281.381 0.668 0 50 CCAA CCOCC(=O)N(C)C[C@H]1CCn2ccnc2C1 328620193 GUCUGIUMYLDVOZ-NSHDSACASA-N 251.330 0.940 0 50 CCAA CC(C)C[C@@H]1C(O)=NCCCN1CC(=O)N1CCN=C1O 328802466 ZWXSVXUGYYCUMG-LLVKDONJSA-N 296.371 0.820 0 50 CCAA CCn1ccnc1C(=O)N1CCOC[C@@H]1c1nc[nH]n1 330172326 GJFHTOYGLNNHJW-SECBINFHSA-N 276.300 0.235 0 50 CCAA Cc1nc2ncccn2c1C(=O)N[C@H]1C=CS(=O)(=O)C1 215474083 QZCTZCHBHVSCSO-VIFPVBQESA-N 292.320 0.078 0 50 CCAA COC1(CNC(=O)N2CC[C@H](c3nc[nH]n3)C2)CCC1 333349312 FBJXJMUQDVKAHQ-JTQLQIEISA-N 279.344 0.873 0 50 CCAA CCC(=O)N1CCN(C(=O)c2ccc(C)nc2O)C1 333343678 YSCQQQAKRQCJDN-UHFFFAOYSA-N 263.297 0.748 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)CN1C(=O)CNC1=O 215172070 SXNPVSMVRIBMCW-VIFPVBQESA-N 293.327 0.098 0 50 CCAA CC(C)(C)OC(=O)NC1CN([C@H]2CCCNC2)C1 39952017 GMBLUCQZYCOUNU-NSHDSACASA-N 255.362 0.947 0 50 CCAA CO[C@]1(C)C[C@@H](N(C)C(=O)CN2CCNCC2=O)C1(C)C 237266074 DSHHZFTVFOZMHK-IAQYHMDHSA-N 297.399 0.080 0 50 CCAA COCC[C@@H]1CN(Cc2nccn2CCOC)CCO1 215942692 OWYDWDNYBFASTK-CYBMUJFWSA-N 283.372 0.767 0 50 CCAA NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)OCO2 237849517 FGRMBNJWUXSBJE-MWLCHTKSSA-N 298.364 0.821 0 50 CCAA O=C(NCCn1cnnc1)c1ccccc1[C@H]1CCNC1 77392973 SCJXNBGUQHWPKU-LBPRGKRZSA-N 285.351 0.785 0 50 CCAA NCCn1cc(C(=O)N2CCCC3(CCOCC3)C2)nn1 77419072 QIVWEPXWTZWQJC-UHFFFAOYSA-N 293.371 0.270 0 50 CCAA Cn1cccc1C(=O)NCc1cnc2cnccn12 221402836 KFKOWKXLCWLBOB-UHFFFAOYSA-N 255.281 0.998 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Cc1cccnc1 220078199 JIYXUVFTNJFRQU-KBPBESRZSA-N 277.368 0.848 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ncnn1-c1ccccc1 285609745 YJBWTKQWRQPSQG-PWSUYJOCSA-N 289.314 0.665 0 50 CCAA CCc1nnc(CN2CCCC[C@H]2c2nc(=O)[nH][nH]2)o1 289334687 LETQCBBOSFANSZ-QMMMGPOBSA-N 278.316 0.771 0 50 CCAA O=C(O)CCCC(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 426512369 XNXGRTIPCAJLNR-RYUDHWBXSA-N 284.356 0.299 0 50 CCAA Cc1cc(=O)c(C(=O)NC(C)(C)CN(C)C)cn1C 426387840 ULOMTLQSPARAMA-UHFFFAOYSA-N 265.357 0.764 0 50 CCAA CCS(=O)(=O)CCNc1cc(C2CC(N)C2)ncn1 223852551 DLYUCCVYZSBRNH-UHFFFAOYSA-N 284.385 0.528 0 50 CCAA CCc1n[nH]c(C(=O)N2CCNC(=O)[C@H]2C(C)C)c1C 97815592 JUPWLIPGLDWUOW-GFCCVEGCSA-N 278.356 0.877 0 50 CCAA COCCc1noc([C@H]2CC(=O)N(C(C)C)C2)n1 96180886 RBGGIPABTFRORY-VIFPVBQESA-N 253.302 0.983 0 50 CCAA C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)CCc1cn(C)nn1 614724709 LEARPZKUESKYDH-OCCSQVGLSA-N 291.399 0.833 0 50 CCAA C[C@@H](NC(=O)c1ncccc1S(C)(=O)=O)c1ncc[nH]1 615158342 NRVJEFASZJGMBZ-MRVPVSSYSA-N 294.336 0.699 0 50 CCAA Cc1nnc(CCNC(=O)[C@H](C)N2CCN(C)CC2)s1 426536467 ONEISRDZEIVLME-JTQLQIEISA-N 297.428 0.141 0 50 CCAA O=C(N[C@@H]1CC=CCC1)N1CCN([C@@H]2CCNC2)CC1 335299142 RWNWMGSQGYJIMO-ZIAGYGMSSA-N 278.400 0.784 0 50 CCAA COCCN1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(C(=O)O)C1 91593676 UBCFQUZREMAQKT-WFASDCNBSA-N 296.367 0.278 0 50 CCAA CCCc1nnc(N[C@H]2CN(C(C)C)C[C@@H]2O)o1 95354452 ONTPXIZGDVYXSK-UWVGGRQHSA-N 254.334 0.888 0 50 CCAA C[C@H]1CN(C(=O)c2cc(F)c[nH]2)CCN1S(C)(=O)=O 293346491 BSLJNMUWWVEANZ-QMMMGPOBSA-N 289.332 0.260 0 50 CCAA CCO[C@H]1CN(C(=O)c2c(C)nc3ncccn23)C[C@@H]1O 244715750 LBIWRAALBXCROW-QWRGUYRKSA-N 290.323 0.260 0 50 CCAA COc1cccc(CCNC(=O)[C@H](C)O)c1OC 244700869 JVJRZNKIIXRSGC-VIFPVBQESA-N 253.298 0.743 0 50 CCAA O=C(O)C1(Cc2cccnc2)CCS(=O)(=O)CC1 255187000 ANYRZQVJBDPODS-UHFFFAOYSA-N 269.322 0.904 0 50 CCAA O=C(CCCn1cnnn1)Nc1n[nH]c(-c2ccccc2)n1 524732380 XOITYJWFVQVMME-UHFFFAOYSA-N 298.310 0.877 0 50 CCAA Cc1cc(=O)c(C(=O)N(C)C[C@@H]2CCCNC2)cn1C 534582617 SPOBCVCONFHVHF-GFCCVEGCSA-N 277.368 0.765 0 50 CCAA C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N 534676221 TWYODHPAQWYGHW-IGQOVBAYSA-N 281.400 0.150 0 50 CCAA CN(CC(=O)NCCc1cnccn1)Cc1ccncc1 299765792 BCOVALKRYCPBGU-UHFFFAOYSA-N 285.351 0.662 0 50 CCAA C[C@H](NS(=O)(=O)CC(=O)c1ccccc1)C(=O)O 725376733 YFEKXOYMVCHOAK-QMMMGPOBSA-N 271.294 0.262 0 50 CCAA CCc1noc(CNC(=O)C[C@@H]2CN(C(C)C)CCO2)n1 584896863 WBJKILKBWSWMRR-LLVKDONJSA-N 296.371 0.748 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 584897984 NJDWYJYHQNESNC-ZCFIWIBFSA-N 261.285 0.601 0 50 CCAA CN(Cc1ncon1)CC(C)(C)N1CCOCC1 670441762 CSWISGYZPJTOMU-UHFFFAOYSA-N 254.334 0.612 0 50 CCAA O=C([C@H]1CCCO1)N1CCC(NCCc2ncc[nH]2)CC1 584893254 LBPXADRUTKXAAO-CYBMUJFWSA-N 292.383 0.712 0 50 CCAA CS(=O)(=O)c1ccc(C(=O)O)cc1N1CCOCC1 42684462 KGBOPGFDGBEMSK-UHFFFAOYSA-N 285.321 0.625 0 50 CCAA in-vitro N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCn2cnnc2C1 1551523507 QEMQGOYNCJEWTR-TZMCWYRMSA-N 298.350 0.428 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1nc[nH]n1 1565506104 PYPVWURCDAHYBY-UWVGGRQHSA-N 289.295 0.166 0 50 CCAA COc1cc(C)ccc1OCCN1CC[C@H](N)[C@@H](O)C1 1565514503 DOTHQTSGPVWKHT-STQMWFEESA-N 280.368 0.776 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)CC2CCCC2)C1 408026346 GWDRWZRJTNOFBU-QWRGUYRKSA-N 290.385 0.081 0 50 CCAA Cc1noc(CN2CCN(C(=O)[C@H]3CCCNC3)CC2)n1 164364022 OZELMHSDWLPQSM-LBPRGKRZSA-N 293.371 0.022 0 50 CCAA CO[C@@]1(CNC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)CCOC1 408336035 XVVDEYRARNBTCJ-HBJVGIJOSA-N 269.341 0.866 0 50 CCAA COC(=O)[C@@H]1CC(=O)CN(C(=O)OC(C)(C)C)C1 96248522 JLMQIJJJKPJVCE-MRVPVSSYSA-N 257.286 0.986 0 50 CCAA in-vitro O=C(NCCN1CC[C@H](O)C1)c1cc2cccnc2[nH]1 629918224 ZYAGETMDFAYYOO-NSHDSACASA-N 274.324 0.359 0 50 CCAA CC[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1 545962699 RWODQHPAKBVVMF-LLVKDONJSA-N 275.312 0.765 0 50 CCAA C[C@@H]1C[C@@H](C(=O)N=c2ccn(CC(=O)O)[nH]2)[C@@H](C)O1 630136016 VRSMNKIROUOREL-IWSPIJDZSA-N 267.285 0.142 0 50 CCAA Cc1cccc(CS(=O)(=O)N2CCOC[C@H]2C(=O)O)c1 275140161 QDTYICICVJDNFU-LBPRGKRZSA-N 299.348 0.610 0 50 CCAA C[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cscn1 630445874 HPTBPHKYTBUWMB-VIFPVBQESA-N 276.339 0.771 0 50 CCAA C[C@@H]1CN(C(=O)CCOC2CCOCC2)CCN1 188412929 GPPZWINVMGXFMU-LLVKDONJSA-N 256.346 0.392 0 50 CCAA C[C@@H]1NCC[C@H]1C(=O)NC[C@@H](n1cncn1)C(F)(F)F 638887733 WCBAYTQCQPTJHB-DJLDLDEBSA-N 291.277 0.496 0 50 CCAA Cc1nccn1CCN[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 643960685 ADKPBMCIDDQKJP-KFWWJZLASA-N 278.400 0.769 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cc(F)c[nH]2)C1 644032836 DKQYFZAGYLQHFE-ZDUSSCGKSA-N 283.303 0.257 0 50 CCAA CN(C)c1noc(CN2CCC[C@@H](Cn3ccnn3)C2)n1 192768166 MHIOIEFTRREKRJ-LLVKDONJSA-N 291.359 0.639 0 50 CCAA COCC(=O)NC[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[C@H]1O 585086039 WSNYEJSFQHBVII-GMTAPVOTSA-N 287.356 0.478 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(COC[C@@H](CN)O2)C1 757135919 AEVWDUDQJIBJDU-MFKMUULPSA-N 272.345 0.740 0 50 CCAA COc1cccc(C(=O)N[C@H]2CNC[C@@H]2OC)c1F 195554082 YMNWPNOADZVNMQ-ONGXEEELSA-N 268.288 0.551 0 50 CCAA CN1CCN([C@H]2CCN(Cc3ccsc3)C[C@@H]2O)CC1 1615700273 DNRQOBIMJWOUBW-GJZGRUSLSA-N 295.452 0.931 0 50 CCAA Cc1cc(C(=O)O)nc(NCCN2CCC[C@@H](CO)C2)n1 1506415885 DLMXHYDEQYNILX-LLVKDONJSA-N 294.355 0.599 0 50 CCAA Cc1nc(N)nc(N2C[C@H](O)[C@@H](N(C)C)C2)c1Cl 1506431669 UVDVBAQEZOXAPF-YUMQZZPRSA-N 271.752 0.132 0 50 CCAA Cc1ccccc1CCNC(=O)[C@]12CNC[C@H]1CN(C)C2 210381391 YSDHWMCIBIOGGX-RDJZCZTQSA-N 287.407 0.805 0 50 CCAA CCN([C@H]1CCN(CC(F)(F)F)C1)S(=O)(=O)NC 907358982 FOSPZAOHLXVPOA-QMMMGPOBSA-N 289.323 0.409 0 50 CCAA Cc1ccsc1S(=O)(=O)N[C@H]1CCOC[C@@H]1O 625594088 TUMWBIKLYJHSBQ-IUCAKERBSA-N 277.367 0.485 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3ccnn3C)C[C@@H]2O)n[nH]1 1704301212 PAUPYOFQVQFRDV-RISCZKNCSA-N 275.356 0.487 0 50 CCAA CCS(=O)(=O)N1CCN([C@H](C)c2csnn2)CC1 932578361 XJCGECPSLTZCKH-SECBINFHSA-N 290.414 0.566 0 50 CCAA CCc1cc(C(=O)N2C[C@H](O)C3(CC3)C2)c(C)nn1 547980832 VATLOAFRBVWADG-LBPRGKRZSA-N 261.325 0.944 0 50 CCAA COC(=O)C1(C(=O)N2CC[C@H](C)[C@H](OC)C2)CC1 342523422 URGCLBMZQPMJJW-VHSXEESVSA-N 255.314 0.823 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCC[C@H](O)CC)CC1 1875369406 MJMZXVQDSPBBKW-GFCCVEGCSA-N 268.357 0.688 0 50 CCAA Cc1nsnc1C(=O)NCc1cnc2c(c1)CNCC2 1775981522 VTNUWSDGLQPOJJ-UHFFFAOYSA-N 289.364 0.817 0 50 CCAA Cc1[nH]c(=S)[nH]c(=O)c1Oc1ccc(=O)n(C)n1 5640460 CYJKUWISTQVGEN-UHFFFAOYSA-N 266.282 0.627 0 50 CCAA CCc1nn(C)c2c(=O)n([C@@H](C)c3ncn[nH]3)cnc12 200540137 MCHHSXHZOBGAIU-ZETCQYMHSA-N 273.300 0.420 0 50 CCAA Cc1coc(C)c1C(=O)N1CC[C@](O)(Cn2ccnn2)C1 671606819 TZPVRGYMTPQMJP-CQSZACIVSA-N 290.323 0.765 0 50 CCAA Cc1ccc(S(=O)(=O)N2CC[C@H]2C(=O)O)cc1 330317 PCZMDMOEFYSSGY-JTQLQIEISA-N 255.295 0.843 0 50 CCAA Cc1nn(CC(=O)N2CCC[C@@H](OC3CCC3)C2)c(=O)o1 630077656 VKNXGJUTSXBKSH-GFCCVEGCSA-N 295.339 0.705 0 50 CCAA Cc1noc2ncc(S(=O)(=O)N3CCNC[C@H]3C)cc12 237460976 NRYHOZPATOZQBM-MRVPVSSYSA-N 296.352 0.514 0 50 CCAA O=C(N1CCCC1)[C@]1(O)CCCN(Cc2cc[nH]c2)C1 335936965 GFZSIJXWFPNGBW-HNNXBMFYSA-N 277.368 0.964 0 50 CCAA COc1ncc(NC(=O)[C@H]2CCC[C@@H](N)C2)cc1C(N)=O 262264222 HBRIDTBIPNIQJW-DTWKUNHWSA-N 292.339 0.645 0 50 CCAA O=C([C@@H](O)c1cnc[nH]1)N1CCC[C@@H]1CN1CCCCC1 865141855 XIJHQOHNFDSJBE-OCCSQVGLSA-N 292.383 0.920 0 50 CCAA CC(C)[C@H](O)C1(CN[C@H]2CCC(=O)N(C)C2)CC1 1875275710 YHKMCBQUBWAKMJ-AAEUAGOBSA-N 254.374 0.994 0 50 CCAA NC(=O)N1CC[C@@H](NCCS(=O)(=O)c2ccccc2)C1 1875274074 FTWQNFFTXDTIKI-LLVKDONJSA-N 297.380 0.203 0 50 CCAA Cc1conc1CN1C[C@@H](O)[C@H](CC(=O)N(C)C)C1 1875398957 KGRYRHFUGIOQAE-ZYHUDNBSSA-N 267.329 0.254 0 50 CCAA CC1(C)OC[C@H](CONC(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)O1 1875307093 JZYSVONTHCSHHP-LNFKQOIKSA-N 271.313 0.753 0 50 CCAA CN(C)C(=O)C[C@@H]1CN(COc2ccccc2)C[C@H]1O 1875399249 TYCZTNGRDBRMMV-TZMCWYRMSA-N 278.352 0.794 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H](CC(C)C)c1nn[nH]n1 1875370724 AVTXRKWRMJIBTO-VIFPVBQESA-N 280.332 0.048 0 50 CCAA N[C@@H](C(=O)Nc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCOC1 1875358818 KVSWWWQOCRVPHE-CMPLNLGQSA-N 287.323 0.774 0 50 CCAA CNC(=O)C(C)(C)NCc1ccc(-c2nn[nH]n2)cc1C 1875330884 GXDVVNVSDVUGDP-UHFFFAOYSA-N 288.355 0.789 0 50 CCAA Cc1cn(C)nc1C(=O)N[C@]1(c2ncc[nH]2)CCOC1 886097154 XBVWRGPUAITTIA-CYBMUJFWSA-N 275.312 0.497 0 50 CCAA CCn1cc(CC(=O)N2C[C@H](N)C3(CCC3)C2)nn1 1775962319 FITXWWYDPXAESO-NSHDSACASA-N 263.345 0.180 0 50 CCAA CCn1ncc(CN[C@@H]2CN(C)C[C@H]2c2cncn2C)n1 1775958317 QUHUNFNUFLCYEC-CHWSQXEVSA-N 289.387 0.219 0 50 CCAA CCS(=O)(=O)c1ccccc1C(=O)N1CCOCC1 29486937 NMXAFFYCBCKUJC-UHFFFAOYSA-N 283.349 0.953 0 50 CCAA C[C@H]1CN(S(=O)(=O)CC2CCCC2)CC(=O)N1 333715620 QOEVEUXFKBNUKJ-VIFPVBQESA-N 260.359 0.327 0 50 CCAA CO[C@H]1C[C@@H](CO)N(S(=O)(=O)Cc2ccccc2)C1 343162852 FEPFAEWHPSALLC-STQMWFEESA-N 285.365 0.598 0 50 CCAA Cc1nn(C)cc1CN(C)C(=O)N[C@H](C(=O)O)C1CC1 670446963 DBWNLNKUXQVIOQ-NSHDSACASA-N 280.328 0.733 0 50 CCAA Cc1cccnc1CN(C)S(=O)(=O)c1cn[nH]c1 952982688 ZWZSRQGZWQCUIH-UHFFFAOYSA-N 266.326 0.934 0 50 CCAA CC(C)(C)OC(=O)N1CCn2c(nnc2C(N)=O)C1 113144990 LVZLHDHKOWGFRQ-UHFFFAOYSA-N 267.289 0.128 0 50 CCAA O=C(c1n[nH]c(O)n1)N1CCS[C@H]1c1ccco1 2325790042 ISAYZQTYZSNLAH-VIFPVBQESA-N 266.282 0.991 0 50 CCAA Cn1cc(OC2CN(c3cc(Cl)nnc3O)C2)cn1 2325802670 SMDVUIAGBAJXNK-UHFFFAOYSA-N 281.703 0.837 0 50 CCAA O=C(C[C@@H]1CCCN1C(=O)c1n[nH]c(O)n1)c1ccco1 2325821322 FFCNZFQUFCQOLX-QMMMGPOBSA-N 290.279 0.981 0 50 CCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c(F)c1 1926578 FKIOCWZSJAWPHJ-LBPRGKRZSA-N 296.298 0.609 0 50 CCAA COc1ccc(C(=O)N2C[C@H]3C(=O)OC[C@H]3C2)c(OC)n1 2356137997 DNIIPQZGOMWYQB-PSASIEDQSA-N 292.291 0.344 0 50 CCAA O=C1NC[C@H]2CN(Cc3nn[nH]c3-c3ccccc3)C[C@@H]12 2356147242 NVEDSOCRCDICIP-NWDGAFQWSA-N 283.335 0.650 0 50 CCAA O=C(Cn1nnc2ccccc2c1=O)N1CCCCC1 3618156 RDLCCYPYUDPUBS-UHFFFAOYSA-N 272.308 0.804 0 50 CCAA Cc1nc(N(C)C)nc(N(CCO)[C@@H]2CCO[C@@H]2C)n1 225463628 UFAFFYOQHVFBHQ-MWLCHTKSSA-N 281.360 0.222 0 50 CCAA CSCC[C@H](NC(=O)Cc1cccnc1)C(=O)O 54289651 QGBCJUJTLKRRMC-JTQLQIEISA-N 268.338 0.947 0 50 CCAA C[C@@]12C(=O)N(NC(=O)c3ccncc3)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 101230188 YXVQIKWDKKZBPR-OVZMXSCWSA-N 297.314 0.924 0 50 CCAA CS(=O)(=O)Cc1noc(C[C@H](N)c2ccccc2)n1 52788412 NYJADZYSJNPYSF-JTQLQIEISA-N 281.337 0.857 0 50 CCAA CCOC(=O)C[C@H](C)NC(=O)c1cnn2ccn(C)c12 65535752 IBDRZOMRBCHQBO-VIFPVBQESA-N 278.312 0.744 0 50 CCAA CCOc1ncccc1CNCC(=O)Nc1cnccn1 65530973 QWLOCAICKLGLBS-UHFFFAOYSA-N 287.323 0.999 0 50 CCAA COc1ccc(C[C@@H]2NC(=O)[C@H](C(C)C)NC2=O)cc1 34399979 ZNNNVLXVVQMUMB-STQMWFEESA-N 276.336 0.877 0 50 CCAA Oc1nnc2n1CCN(Cc1cnn3ccccc13)C2 330163957 VPBDCBSYUOFPNV-UHFFFAOYSA-N 270.296 0.647 0 50 CCAA O=C(O)C[C@H]1COCCN1S(=O)(=O)c1ccccc1 128303685 HPUQCTCFDLTAGL-JTQLQIEISA-N 285.321 0.551 0 50 CCAA COC(=O)[C@]1(N)CCCN(C(=O)OC(C)(C)C)C1 215324185 VUKOJTPPLYJJTI-LBPRGKRZSA-N 258.318 0.888 0 50 CCAA CCS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 152200695 FGWBOVSREPEJBH-SNVBAGLBSA-N 283.353 0.235 0 50 CCAA CC(C)n1cc(C(=O)NCCN(C)S(C)(=O)=O)cn1 77459535 PYNCLGNXUKZXAG-UHFFFAOYSA-N 288.373 0.085 0 50 CCAA Cc1cc(C)c(CNC(=O)C(=O)N2CCOCC2)cn1 219674026 JUVPECJWXWJLNE-UHFFFAOYSA-N 277.324 0.173 0 50 CCAA Cn1nnc2cc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)ccc21 71775504 ACQLVQHRDYDODK-SECBINFHSA-N 292.320 0.009 0 50 CCAA O=C(O)COc1cccc(CNC(=O)[C@@H]2CCOC2)c1 262797167 OVXUALPABCJDIQ-LLVKDONJSA-N 279.292 0.803 0 50 CCAA CCCn1cc(C(=O)N2CCOC[C@H]2C(=O)O)cn1 262798059 RANWVSDZGIHNJF-JTQLQIEISA-N 267.285 0.219 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)c2cccc(-n3cnnn3)c2)C1 238102052 CDFVKNNKLOHLQE-JTQLQIEISA-N 287.279 0.209 0 50 CCAA CC[C@@H](C)[C@H](NC)C(=O)NCCc1nc(N)cc(O)n1 222549460 KLGAWNRBJHUVNM-PELKAZGASA-N 281.360 0.057 0 50 CCAA CN(CCCOc1ccccc1)C(=O)NCCC(N)=O 426739097 SJVPYIYTKSWOIP-UHFFFAOYSA-N 279.340 0.972 0 50 CCAA O=C(Cc1nc(O)n[nH]1)N1CCCC[C@H]1CN1CCCC1 426478801 NOIGYQBFUSQCPA-NSHDSACASA-N 293.371 0.530 0 50 CCAA CCC[C@H](CC(=O)O)NC(=O)CN1CCCCC1=O 426550700 YBRPNKRWASZHBG-SNVBAGLBSA-N 270.329 0.759 0 50 CCAA Cc1nn2c(O)nncc2c1-c1ccc(C(N)=O)cc1 426471321 HMDHDEGGMIMDNR-UHFFFAOYSA-N 269.264 0.904 0 50 CCAA O=C(Cc1nc(O)n[nH]1)N(CC1CCC1)C[C@@H]1CCCO1 426478676 GPMOMBAINLVGAH-NSHDSACASA-N 294.355 0.861 0 50 CCAA CN(C)c1nc(NCCN2CCC[C@@H](CO)C2)ncc1F 95374332 GUHDCONDVDADER-LLVKDONJSA-N 297.378 0.798 0 50 CCAA CC(C)(C)c1nnc(NCCc2noc(CO)n2)o1 95381329 FQMVZGCWSBABBR-UHFFFAOYSA-N 267.289 0.897 0 50 CCAA Cc1cc(C(=O)N[C@H](C2CCNCC2)[C@H]2C[C@@H](O)C2)on1 244659676 HHALUABKQJWRJY-MBNYWOFBSA-N 293.367 0.852 0 50 CCAA CS(=O)(=O)CCC(=O)NC[C@H]1COc2ccccc2O1 242927098 GXEUVUIWAYWOPX-JTQLQIEISA-N 299.348 0.377 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C[C@H]2[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]21 248010394 DOOUAZUNWYDYSF-SDONNHMOSA-N 259.309 0.676 0 50 CCAA CCc1nn(C)c(CC)c1CN1CC(=O)N[C@@H](C)C1 295102981 VDXWCNUXJOLBKV-JTQLQIEISA-N 264.373 0.865 0 50 CCAA CN(Cc1cscn1)C(=O)CN(C)C1CCNCC1 534639325 KJDPGMDMQIQTMZ-UHFFFAOYSA-N 282.413 0.785 0 50 CCAA Nc1n[nH]c(CCN[C@H]2CCC(=O)N(CC3CC3)CC2)n1 534650511 QYBPWINDOIEFFP-NSHDSACASA-N 292.387 0.310 0 50 CCAA O=C(CN1CCC[C@@H](O)C1)NCc1cn2ccsc2n1 299763526 OINNXUKCBRAWCE-LLVKDONJSA-N 294.380 0.469 0 50 CCAA CCc1csc(CNS(=O)(=O)N2CCOCC2)n1 823542425 GLKZVSHRXRRJPM-UHFFFAOYSA-N 291.398 0.372 0 50 CCAA CO[C@H]1COC[C@@H]1NS(=O)(=O)N1CCC(C)(C)CC1 824506614 LCHPXSPGKSTOJL-QWRGUYRKSA-N 292.401 0.357 0 50 CCAA O=C(C[C@H]1CCOC1)N1CCC(O)(CN2CCCC2)CC1 827909885 XXNXQPKFYLCHQU-CQSZACIVSA-N 296.411 0.862 0 50 CCAA CC(C)[C@@H](O)C(=O)NC1(C(N)=O)CCCCCC1 584899988 OCFGPFYJPKXPHV-SNVBAGLBSA-N 256.346 0.698 0 50 CCAA COCCN1CCC(CN(C)C(=O)c2cncnc2)CC1 584893587 QTNDFNWZBYHTHG-UHFFFAOYSA-N 292.383 0.907 0 50 CCAA COCCN1CC[C@H](Cn2cnc3cnccc3c2=O)C1 584890508 VSKMQTNBNQBOKM-LBPRGKRZSA-N 288.351 0.760 0 50 CCAA CCC[C@]1(CO)CCN(CCn2ccnc2)C[C@H]1O 1529113404 YJMZFIPAAXLQLU-ZIAGYGMSSA-N 267.373 0.729 0 50 CCAA NC(=O)N1CCC[C@@H](C(=O)N2CC(N3CCCCC3)C2)C1 952968202 KGLRXMPIOGWSRR-GFCCVEGCSA-N 294.399 0.474 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)CSc1nccc(C)n1 1565509505 ZZGPGAFMBONJIQ-QWRGUYRKSA-N 297.380 0.797 0 50 CCAA COC(=O)[C@H](C)CS(=O)(=O)N1CCN(C)[C@H](C)[C@H]1C 408079661 AJAVODKSBHSCKN-GMTAPVOTSA-N 292.401 0.150 0 50 CCAA CN1C[C@@H](NC(=O)NCc2cccc(N(C)C)n2)CC1=O 269926737 CMAXUUVPRDMNRS-NSHDSACASA-N 291.355 0.178 0 50 CCAA Cc1n[nH]c2cc(NS(=O)(=O)N3CCOCC3)ccc12 271232167 UWULQNZYSVBSCP-UHFFFAOYSA-N 296.352 0.860 0 50 CCAA CN(C)c1ccc([C@H]2CCCN2C(=O)c2cnn[nH]2)nn1 643903030 VJQBBXINRFLUNR-LLVKDONJSA-N 287.327 0.638 0 50 CCAA O=C(c1cc2cccnc2[nH]1)N1CCN2C[C@H](O)C[C@H]2C1 655294209 OSVOCSBIDHTSGB-NWDGAFQWSA-N 286.335 0.454 0 50 CCAA O=C(Cc1cccnc1)N[C@@H]1COC2(CCNCC2)C1 215551595 RRKARIRZRYUZAJ-ZDUSSCGKSA-N 275.352 0.651 0 50 CCAA Cn1ccnc1NC(=O)c1cccc(-n2cnnc2)n1 1529166856 AWPNFZHLCCNRDB-UHFFFAOYSA-N 269.268 0.648 0 50 CCAA O=C(COC1CCNCC1)N1CCO[C@@H]2CCCC[C@H]21 111796386 SGZTWRNAUWVAMP-ZIAGYGMSSA-N 282.384 0.925 0 50 CCAA CCOC(=O)CSc1nnc(-c2ccncc2)n1N 151010 XFRMWNJGVJHDDX-UHFFFAOYSA-N 279.325 0.709 0 50 CCAA C[C@H]1OCC[C@]1(O)CNC(=O)Cc1cccnc1 228704913 FQHRJAYXWUEKPY-MFKMUULPSA-N 250.298 0.280 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)C[C@@H]1CCCCO1 128226015 IXDKYHUTLHPAFH-MNOVXSKESA-N 271.313 0.648 0 50 CCAA CC(=O)N1CCC[C@@H](c2n[nH]cc2NS(C)(=O)=O)C1 1875258242 NDEPNNDMQHGGKH-SECBINFHSA-N 286.357 0.507 0 50 CCAA C=CC(=O)NCc1ccc2c(c1)CCS2(=O)=O 848979223 KPLYUKXINWVRSN-UHFFFAOYSA-N 251.307 0.819 0 50 CCAA CC(C)COC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 585080818 WQOJLPSMIFDPJI-LLVKDONJSA-N 270.329 0.758 0 50 CCAA O=C(Nc1nnn[nH]1)c1cc2ccccc2oc1=O 4480202 ABIWVMVQXCOASJ-UHFFFAOYSA-N 257.209 0.558 0 50 CCAA C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(N)=O 4837880 TXDUUZHMELQCPI-VIFPVBQESA-N 278.333 0.992 0 50 CCAA OC1=c2ccccc2=C(O)C12N=Nc1n[nH]c(=S)n1N2 5604648 UTNWRDLFBIDCAY-UHFFFAOYSA-N 288.292 0.324 0 50 CCAA O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1 19881633 WBNDFEDHENZPNW-CYBMUJFWSA-N 273.336 0.219 0 50 CCAA N=c1cc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)cc[nH]1 1875243658 QUXZMTJITPJBTG-HUUCEWRRSA-N 284.363 0.925 0 50 CCAA Cc1cncc(NC(=O)CN2CCCC[C@@H](O)C2=O)c1 644384322 PTASWKDDQFXOBN-GFCCVEGCSA-N 277.324 0.702 0 50 CCAA O=C(CN1CCN(c2ncc(Cl)cn2)CC1)NC1CC1 267090001 MLPDOAQGGVPBSW-UHFFFAOYSA-N 295.774 0.531 0 50 CCAA CC1(C)CC[C@@H](CNC(=O)N2CCOC[C@H]2CO)OC1 923997991 MNJNWPKHGVMVEB-NEPJUHHUSA-N 286.372 0.594 0 50 CCAA O=C(CN[C@@H]1CCC(=O)NC12CCC2)NCC(F)F 952845326 TWKXDWKNADBLOP-MRVPVSSYSA-N 275.299 0.159 0 50 CCAA CCNS(=O)(=O)c1ccc(N2CCCC2)nn1 1875298509 CVMODLZZMDCIEL-UHFFFAOYSA-N 256.331 0.375 0 50 CCAA CCC1(CC)CNC(=O)[C@H]1NC(=O)/C=C/CN(C)C 1875376665 FGOAISYWLPTXBY-ABZNLYFFSA-N 267.373 0.525 0 50 CCAA CN(Cc1noc(C(F)(F)F)n1)C(=O)C1(O)CC1 1875313221 ZWKKGLQOKPYCAQ-UHFFFAOYSA-N 265.191 0.572 0 50 CCAA O=C(NCc1cccc(CO)c1)[C@H]1C[C@H](F)CN1 188524149 QVLIBIFSAWDFCI-NWDGAFQWSA-N 252.289 0.495 0 50 CCAA C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H](C)[C@@](C)(C(=O)O)C1 710136120 JOZDFJUURHWZTE-QYTUQVAYSA-N 255.314 0.981 0 50 CCAA OC[C@@H]1CN(c2ncnc3ccccc23)CC[C@@H]1O 396811681 PRUKGVHBLXXSCX-GWCFXTLKSA-N 259.309 0.809 0 50 CCAA Oc1cccc(N2CCN(C[C@@H]3CNCCO3)CC2)c1 864096800 IERKNZAISPFVTP-HNNXBMFYSA-N 277.368 0.503 0 50 CCAA CC1(C)CC(=O)O[C@@H]1CNC(=O)N[C@@H]1Cc2nccn2C1 2325799562 IDIJKSNVSWMYEI-NXEZZACHSA-N 292.339 0.449 0 50 CCAA Cc1c[nH]c2ncc(C(=O)N(C)c3nn[nH]n3)cc12 2325816583 CHQWAWHCQBTQEW-UHFFFAOYSA-N 257.257 0.661 0 50 CCAA COc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 75322 ZUJDEHQXYQDPPD-UHFFFAOYSA-N 287.337 0.725 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)Nc2ccnn2C(C)C)CCO1 343716148 OZPBUALWPNXUIP-JTQLQIEISA-N 296.327 0.870 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@H](n2cc(CO)nn2)C1 409425900 NUYVNUCEBQUIDR-JTQLQIEISA-N 268.317 0.952 0 50 CCAA O=C(/C=C/c1ccccc1)NCCN1CCNCC1 19879245 ZBDXFZXQRLMJNH-VOTSOKGWSA-N 259.353 0.721 0 50 CCAA CCCc1n[nH]c([C@@H]2CN([C@@H]3C[C@@H](C)OC3=O)CCO2)n1 229826571 MRMJXHPGQSICRV-MXWKQRLJSA-N 294.355 0.835 0 50 CCAA Cn1ccnc(N2CC(C)(C)O[C@]3(CCOC3)C2)c1=O 280213531 KGVMVLWCCMSQSX-CQSZACIVSA-N 279.340 0.555 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)NCc1nc(N(C)C)no1 330770431 BHDGJXHVFFOXIK-RKDXNWHRSA-N 268.317 0.567 0 50 CCAA C[C@]1(NC(=O)COc2cccnc2)CCS(=O)(=O)C1 219453405 PXRWMXXUGQWGAS-LBPRGKRZSA-N 284.337 0.154 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)COCc1ccccc1 72164951 CYVLVSQGYVEKBF-CYBMUJFWSA-N 293.319 0.905 0 50 CCAA Cc1nc(CCNC[C@]2(O)CCNC2)nc2c1CCCC2 72411803 XAPOARKVIOIWFZ-MRXNPFEDSA-N 290.411 0.520 0 50 CCAA CCc1cc(N2CCNC(=O)C2)n2nc(C)c(C)c2n1 72480650 RUFLIKOBLRCIBH-UHFFFAOYSA-N 273.340 0.845 0 50 CCAA CCOC1CC(O)(CNC(=O)[C@H]2CCCOCC2)C1 373335867 CYDRICVXXPISLU-DCBWTQNWSA-N 271.357 0.849 0 50 CCAA Cc1ccc(F)cc1CC(=O)N[C@@H]1COCC[C@H]1O 218815226 QQKZIDAYXYDLGP-CHWSQXEVSA-N 267.300 0.943 0 50 CCAA Cc1nn(C)cc1C(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21 285269386 ALDYCMVEAIIKSW-ZYHUDNBSSA-N 276.340 0.421 0 50 CCAA C[C@@H](C(=O)O)N(C)C(=O)Cn1ncc2ccccc21 263322774 RUMVJWQMRQFZHE-VIFPVBQESA-N 261.281 0.968 0 50 CCAA CCc1nnc(CNC(=O)[C@H](C)N2CCN(C)CC2)s1 426361954 ODDIMHMMEAVMGO-JTQLQIEISA-N 297.428 0.353 0 50 CCAA O=c1c2cccn2cnn1Cc1noc([C@H]2CCCO2)n1 95388829 DVBDWKJJIQVJIQ-SNVBAGLBSA-N 287.279 0.779 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@H](N2C(=O)N3CCC[C@@]3(C)C2=O)CC1=O 239527625 ATMXZJZGFKUAAQ-CZFOOCMKSA-N 291.351 0.812 0 50 CCAA Nc1nc(=NCCCN2CCCC2)cc([C@@H]2CCOC2)[nH]1 426406153 NNPMZEGZQLJJLM-GFCCVEGCSA-N 291.399 0.882 0 50 CCAA C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@]1(O)C1CCC1 91819017 IHZKNQJQGHRGFD-OTYXRUKQSA-N 277.324 0.393 0 50 CCAA CS(=O)(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91644131 YUNZFKVXNBQMDA-ZDUSSCGKSA-N 286.397 0.671 0 50 CCAA CCc1noc([C@@H]2CC(=O)N(CCN(C)C)C2)n1 95354046 IOUQYTYESOWFNW-SECBINFHSA-N 252.318 0.510 0 50 CCAA COc1ccc([C@@H]2Cn3nnc(C(N)=O)c3CO2)cc1 263617020 LSAUECZDWVAYCC-NSHDSACASA-N 274.280 0.657 0 50 CCAA CN(C)C(=O)N1CCC(C(=O)N2C[C@@H]3CCN[C@@H]3C2)CC1 534584668 FUFGXHNLFSERQL-QWHCGFSZSA-N 294.399 0.200 0 50 CCAA Cc1nn2cc(CNC(=O)[C@H]3C=CCN3)nc2s1 534582576 GLZLXQSQTWPGJY-SECBINFHSA-N 263.326 0.243 0 50 CCAA Cc1ccc(CNC(=O)NC[C@@]2(O)CCCNC2)cc1 534663385 TYWLKGQLKKUTPP-OAHLLOKOSA-N 277.368 0.909 0 50 CCAA CCOCCC(=O)NCCN1CCC(CO)CC1 534637784 BLYANJIYQDZSHX-UHFFFAOYSA-N 258.362 0.234 0 50 CCAA CNC(=O)C[C@@H]1CCN(c2nccc(OC)n2)C1 823820901 DAZRYFYSYREXRS-VIFPVBQESA-N 250.302 0.448 0 50 CCAA Nc1nnc(CCNC(=O)N2CCCC[C@@H]2CCO)s1 584896475 KFLBCZPHRHVCKD-SECBINFHSA-N 299.400 0.609 0 50 CCAA CN(C)C(=O)[C@H]1CN(C(=O)c2ccc(Cl)cn2)CCO1 670460144 FKWGOOKBKOBABB-LLVKDONJSA-N 297.742 0.664 0 50 CCAA Cc1cccc(NC(=O)CCNC(=O)[C@@H]2CCN2)c1 670455283 DJEUTFOCQCYIOI-LBPRGKRZSA-N 261.325 0.802 0 50 CCAA CC(C)n1cnnc1CN1CCO[C@@H](C(=O)N(C)C)C1 670450926 VOWIUASMMRXBGC-LLVKDONJSA-N 281.360 0.148 0 50 CCAA Cc1nccn1CC(=O)NCCc1nncn1C(C)C 670447863 BSVYWFRVMWBULO-UHFFFAOYSA-N 276.344 0.723 0 50 CCAA Cc1cc(C)nc(SCC(=O)N2C[C@@H](O)[C@H](F)C2)n1 952965022 RGEKUUDVCDSRNP-NXEZZACHSA-N 285.344 0.727 0 50 CCAA COCC1CCC(N2CCn3nnc(CO)c3C2)CC1 894808881 FQXZFLVENLWMCT-UHFFFAOYSA-N 280.372 0.791 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCn3cnnc3C2)o1 408098880 TWFLZEDZQPFHIY-UHFFFAOYSA-N 268.298 0.384 0 50 CCAA O=C(NCc1ccc(-n2ccnc2)cc1)[C@H]1CNCCO1 188131060 NETILAGTTDVCMU-CQSZACIVSA-N 286.335 0.477 0 50 CCAA C[C@H]1NC(=O)N(CCCn2ccnc2)C(=O)[C@@H]1C 1615545728 INHBQJWSDGDWMQ-NXEZZACHSA-N 250.302 0.850 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CCC([C@@H](O)CO)CC1 1772708871 LHCHYTBXPCPALS-LBPRGKRZSA-N 286.759 0.884 0 50 CCAA O=C1C[C@H](Nc2ccc(N3CCOCC3)cc2)C(=O)N1 558833 SUSPBDYVPOSFLU-LBPRGKRZSA-N 275.308 0.350 0 50 CCAA Nc1ncccc1CN1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529167016 DAHRLEJRFKJOOS-HUUCEWRRSA-N 288.395 0.959 0 50 CCAA C[C@H](CN(C)c1cncc(N)n1)N1CCOCC1 1857675616 AYZLGIMUZRYJQP-SNVBAGLBSA-N 251.334 0.216 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H](N)C[C@@H]1C 408519125 APLSFQPWJNOJKR-CYDGBPFRSA-N 270.373 0.909 0 50 CCAA Cc1ncc(Cl)c(NCCCc2nn[nH]n2)n1 1704314421 QJPURMOLWAZPEJ-UHFFFAOYSA-N 253.697 0.996 0 50 CCAA O=C1C[C@H]2NCC[C@H]2N1Cc1nc(-c2ccncc2)n[nH]1 1800413406 GFILQPFVAJMPAR-GHMZBOCLSA-N 284.323 0.330 0 50 CCAA CN1CCC[C@]2(C(=O)O)CCN(c3nccc(N)n3)C[C@@H]12 1704345200 XBZDDVGBJUIXBO-YGRLFVJLSA-N 291.355 0.434 0 50 CCAA Cc1nc(O)cc(CNC(=O)c2ccc3c[nH]nc3n2)n1 1775979422 LYISMYQSAHQRTN-UHFFFAOYSA-N 284.279 0.692 0 50 CCAA CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 266263737 YIACJSVSPVTVCD-UHFFFAOYSA-N 282.365 0.759 0 50 CCAA Cc1nn(C)c2c1[C@H](NC(=O)c1c[nH]c(=O)cn1)CCC2 1857670387 LRUDIZAQXQJDSH-SECBINFHSA-N 287.323 0.619 0 50 CCAA O=C1C[C@H]2CN(C(=O)Cn3ccc4ccccc43)C[C@H]2N1 1857675050 IWOYLUZKFXBQGI-QWHCGFSZSA-N 283.331 0.988 0 50 CCAA CO[C@@H]1CN(Cc2ccc(CO)cc2)C[C@H]1c1cnn[nH]1 621316936 HZAZLFYEZMYTNV-DZGCQCFKSA-N 288.351 0.911 0 50 CCAA O=C(CN1CCCCC1=O)N[C@H](C(=O)O)c1ccccc1 237992918 BRTYOENWWJPERZ-AWEZNQCLSA-N 290.319 0.941 0 50 CCAA CN1C(=O)C[C@H](C(=O)NCC(F)(F)CO)c2ccccc21 372956377 XQUVUQYSWFHEJB-JTQLQIEISA-N 298.289 0.881 0 50 CCAA CCN1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)O)CC1 6725400 LZAFQRGCPDCCGE-NWDGAFQWSA-N 266.341 0.818 0 50 CCAA CCn1nc(C)c(CNS(=O)(=O)CC2CC2)n1 819891423 QTZDVWUVTBGGDN-UHFFFAOYSA-N 258.347 0.436 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cnc2c(c1)c(C)nn2C 1875273180 DSUWYDVALSOPHS-SNAWJCMRSA-N 288.307 0.736 0 50 CCAA Cn1ccc(CN2CCNC[C@@H]2c2cn[nH]c2)cc1=O 1875319396 ATDBXWDTFAIQDR-CYBMUJFWSA-N 273.340 0.255 0 50 CCAA CO[C@H]1CCN([C@H]2CCC[C@H]2NS(=O)(=O)C2CC2)C1 886080262 ROYOOHYSIJTVSV-UHTWSYAYSA-N 288.413 0.710 0 50 CCAA CN1CCN(c2nc(C3CCOCC3)ns2)C[C@H]1CO 894882273 UIPDSNILAWSTLZ-NSHDSACASA-N 298.412 0.545 0 50 CCAA CN(C(=O)[C@H]1COCCO1)C1CCC(CO)CC1 408282039 SRUHWCHJRAAAMY-HTAVTVPLSA-N 257.330 0.411 0 50 CCAA COCc1ccccc1C(=O)N1[C@H]2CC[C@H]1C(=O)NC2 2325787758 VLTUNOBHQDYMBR-AAEUAGOBSA-N 274.320 0.936 0 50 CCAA CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@H]1C(C)C 2223765 IRACCIZVXUKPDN-MNOVXSKESA-N 297.355 0.008 0 50 CCAA NC(=O)c1cc(N2CC(CO)(c3ccccc3)C2)ccn1 413550673 KTLJRMUKULGJKL-UHFFFAOYSA-N 283.331 0.931 0 50 CCAA COc1cccc(F)c1C(=O)N1CCC[C@](O)(C(N)=O)C1 225487124 XYOKPHCVOHKCDL-CQSZACIVSA-N 296.298 0.287 0 50 CCAA Cc1ccc(S(=O)(=O)NCCN2CCN(C)CC2)cc1 20818705 LJZAWOZDFZBGSS-UHFFFAOYSA-N 297.424 0.521 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1C(=O)CCc1cnn(C)c1 330571027 YKJLVXQXXVJWRY-STQMWFEESA-N 281.356 0.615 0 50 CCAA OCc1cn([C@@H]2CCCN(CC[C@@H]3CCCO3)C2)nn1 328795976 UKAXBDAAEHPZCU-KGLIPLIRSA-N 280.372 0.976 0 50 CCAA CCN(CCN1CCOCC1)C(=O)c1cccnc1 67817378 UJAYBLKCPNRILA-UHFFFAOYSA-N 263.341 0.876 0 50 CCAA Cc1nscc1C(=O)N1CCOC[C@@H]1c1ncnn1C 328894196 UTXHKFKESLBXRI-SNVBAGLBSA-N 293.352 0.794 0 50 CCAA CC(C)c1nnc(S(=O)(=O)[C@@H](C)C(=O)N(C)C)n1C 330671183 WFGNQCBOMOWACK-QMMMGPOBSA-N 288.373 0.189 0 50 CCAA OCCNc1cc(N2CCO[C@@H](C(F)(F)F)C2)ncn1 71764388 ZMWSBBVNRZMZTA-MRVPVSSYSA-N 292.261 0.648 0 50 CCAA NC(=O)c1noc([C@@H]2CCCN2Cc2ccncc2)n1 328639875 PTKIXZCPDCHTEQ-JTQLQIEISA-N 273.296 0.901 0 50 CCAA N[C@@H]1CC[C@@H]1NC(=O)CCNC(=O)c1ccc(F)cc1 72171703 QZQANQCLEJBSIE-NEPJUHHUSA-N 279.315 0.552 0 50 CCAA O=C1CCCN1C[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 216225476 WVMCWTQFRILMRV-NSHDSACASA-N 276.340 0.884 0 50 CCAA O[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(c1cncc(-n4cccn4)n1)C[C@@H]3C2 333275581 HYFCDKPTPVILKG-UQXKVLDMSA-N 283.335 0.868 0 50 CCAA O=C(c1ccnc(OCC(F)(F)F)c1)N1CC(O)C1 156581344 BFLYLAQLCMQXPG-UHFFFAOYSA-N 276.214 0.839 0 50 CCAA NC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 72164190 WFYDUVNRFZJNEX-LLVKDONJSA-N 299.733 0.655 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N1CC2(CCCOC2)C1 334924350 XMIWIJJQWCXNIW-LLVKDONJSA-N 284.381 0.547 0 50 CCAA Cc1ccc(CS(=O)(=O)N2CCCNC(=O)C2)cc1 74835871 DLHSEDATDOWWNO-UHFFFAOYSA-N 282.365 0.647 0 50 CCAA COCc1cc(C(=O)N[C@H]2CCc3[nH]ncc3C2)no1 173448527 NLSFPQXXLZQCAH-VIFPVBQESA-N 276.296 0.831 0 50 CCAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(CCc2cnn(C)c2)C1 284564211 ISYUDGDKLQUQLK-OLZOCXBDSA-N 290.371 0.851 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 285638219 FGIVGHLBSNJYGJ-NEPJUHHUSA-N 263.341 0.868 0 50 CCAA COCCCn1ccc2c(nnc3ccnn32)c1=O 40388016 QVLZGRFVHMVCOZ-UHFFFAOYSA-N 259.269 0.476 0 50 CCAA CN1CCC(CNC(=O)c2ccc(O)cn2)(N(C)C)CC1 221201794 RNAOPOQBXOQSTJ-UHFFFAOYSA-N 292.383 0.543 0 50 CCAA COCc1noc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)n1 91914841 SDMQTBRRIYPOAU-VHSXEESVSA-N 281.312 0.759 0 50 CCAA COC(=O)CSCC(=O)N[C@H]1CCSC1=O 97756743 VLQHIMHOYRPRTM-LURJTMIESA-N 263.340 0.041 0 50 CCAA O=C(NCc1cc[nH]n1)N1CCC[C@@H](Cn2ccnn2)C1 532790287 MNXZVRZRORRMNC-LLVKDONJSA-N 289.343 0.623 0 50 CCAA Cc1cc(N2CCC[C@H](N3CCCC3=O)C2)nc(N)n1 92077151 JISOWJJRKYTOFI-NSHDSACASA-N 275.356 0.958 0 50 CCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ncc[nH]2)on1 95374401 KKSOHGSQVZJFSQ-KOLCDFICSA-N 276.296 0.694 0 50 CCAA O=C([C@H]1C=CCN1)N1CCC(N2CCSCC2)CC1 534675546 GXPCIJQQKZREFS-CYBMUJFWSA-N 281.425 0.554 0 50 CCAA CCn1cnnc1CSc1nnc(CNC)n1C 534589554 FUHLOBQKDOFGFM-UHFFFAOYSA-N 267.362 0.438 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc(NC(C)=O)c1 534581877 TUKQTLGFUJSCNA-KBPBESRZSA-N 291.351 0.704 0 50 CCAA CN1C[C@H](NS(=O)(=O)CCOc2ccccc2)CC1=O 289569286 UDDYBSNUOCEGKQ-LLVKDONJSA-N 298.364 0.216 0 50 CCAA O[C@@]12CCOC[C@@H]1CN(Cc1ncc[nH]1)[C@H]1CCOC[C@H]12 299791447 CUAVENWNCCMYSK-XFMPKHEZSA-N 293.367 0.398 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@@H]1CCCOCC1 901337067 RARZUANNQHLWNH-LLVKDONJSA-N 254.330 0.706 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)c1ccc[nH]1 584890658 PVVRAYSVOBJYFZ-VIFPVBQESA-N 263.301 0.744 0 50 CCAA COC[C@H]1[C@H](NC(=O)Cc2cnc[nH]2)[C@H]2CCO[C@H]21 1074623964 QDUHQPIZDBZTFX-LYIQGSDWSA-N 265.313 0.118 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1Nc1cncc(C(=O)O)n1 1074546384 QWJJGNIATAJVPX-VJRRCQHZSA-N 278.312 0.304 0 50 CCAA Cc1cc(C)n(CCCN2C[C@H](C(=O)O)CC2=O)n1 65493899 MACUPKKUOJPJMO-LLVKDONJSA-N 265.313 0.823 0 50 CCAA C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCC(F)(F)CO 408473840 MCVSSTCLLSTPAU-GHMZBOCLSA-N 299.321 0.898 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 85221778 OULNMKPQUKNAHO-BDAKNGLRSA-N 259.302 0.777 0 50 CCAA in-vitro O=C(NCc1ccc(CO)c(F)c1)[C@H]1C[C@H](F)CN1 275741567 MFSKJMJNJWWJAV-CMPLNLGQSA-N 270.279 0.634 0 50 CCAA O=C1NC(=O)[C@@]2(CCCN(c3ncnc4[nH]ccc34)C2)N1 279036522 IYXJGTQTFGCLMU-ZDUSSCGKSA-N 286.295 0.136 0 50 CCAA CCC(CC)(C(=O)O)C(=O)NC1CCS(=O)(=O)CC1 653298902 RCATXXTUYSYCKT-UHFFFAOYSA-N 291.369 0.571 0 50 CCAA COc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2)c1OC 97551233 DCZZYSPIQVQCHX-GHMZBOCLSA-N 280.324 0.043 0 50 CCAA Cc1cc2c(cn1)CN(C(=O)CCn1cnnn1)C2 1857673912 NZMLOIWJXXQKHS-UHFFFAOYSA-N 258.285 0.309 0 50 CCAA CCc1nccn1C[C@@H](C)NCCS(=O)(=O)N(C)C 1506414890 UPRYBAMRZNODBO-LLVKDONJSA-N 288.417 0.315 0 50 CCAA O=C1NC[C@]2(CCCN(CCN3CCCC3=O)CC2)O1 1506423029 BXMZYNRKVHMKSA-CQSZACIVSA-N 281.356 0.573 0 50 CCAA CCCn1cnnc1CNC(=O)[C@H]1CC2CCN1CC2 1800410643 YMFMUHITGYDSDB-GFCCVEGCSA-N 277.372 0.789 0 50 CCAA C[C@]1(O)CCOC2(CCN(C(=O)c3cn[nH]c3)CC2)C1 1704300606 ZJAYVFMHKUBXFD-ZDUSSCGKSA-N 279.340 0.946 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(Cc2ncnn2C(C)(C)C)C1 367048693 XRGXSRRLHSMVEZ-WDEREUQCSA-N 268.361 0.615 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1cc(C2CC2)on1 129398254 OLSMQGFUVSQTFE-SECBINFHSA-N 280.280 0.868 0 50 CCAA COc1cccnc1CN1CCOC[C@H](C(=O)O)C1 1775978233 DGCQCUXOLJFXQP-SNVBAGLBSA-N 266.297 0.623 0 50 CCAA Cc1ccccc1OC1CN(C(=O)[C@@H]2CNCCOC2)C1 1857691389 JELIYGRYKPQJPP-CYBMUJFWSA-N 290.363 0.821 0 50 CCAA N[C@H]1C[C@H](C(=O)N(Cc2cccnc2)C2CC2)C[C@@H]1O 1857723046 UVKKXQQIIYDZEF-UBHSHLNASA-N 275.352 0.671 0 50 CCAA CCc1csc(CNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)n1 1857737568 STLYMVCANPCXIU-FXBDTBDDSA-N 269.370 0.420 0 50 CCAA CC1(C)COCCN1C(=O)CNC(=O)Cc1ccccc1 330618066 XLXFXXHEWDAXHX-UHFFFAOYSA-N 290.363 0.983 0 50 CCAA C[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[C@H](C3CC3)O2)O[C@H]1C(=O)O 907866548 IXHFNNGKPULMEK-YHALQVAKSA-N 297.351 0.938 0 50 CCAA C[C@H]1NC(=O)N(CCN2CCC(c3ncco3)CC2)C1=O 931447135 YQCJUSYDXXQTKQ-SNVBAGLBSA-N 292.339 0.794 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@H]1CCCn2nccc21 1875266368 NWNZBIGNGVUVQF-ZJUUUORDSA-N 251.286 0.597 0 50 CCAA C[C@H](ONC(=O)[C@@H]1CCC(=O)O1)c1ccncc1 1875297739 BZIWKPOEQVIWFO-WPRPVWTQSA-N 250.254 0.896 0 50 CCAA CC(C)(C)NC(=O)NC(=O)Cn1c(C(C)(C)C)noc1=O 1875391327 IQTILWKVEGDDCR-UHFFFAOYSA-N 298.343 0.758 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC[C@]2(CNC(=O)C2)C1 1875367199 GXVKRVRKVGKMPV-HNNXBMFYSA-N 293.367 0.150 0 50 CCAA C=CC(=O)N1CCC(C(=O)N(C)[C@H](C)CC(N)=O)CC1 1875369841 LVYUJLCEHZUPBV-SNVBAGLBSA-N 281.356 0.133 0 50 CCAA CC(C)N1C[C@@](C)(CNC(=O)/C=C/CN(C)C)C1=O 1875309006 MGSFNMIUFZDLDA-PSKZRQQASA-N 267.373 0.477 0 50 CCAA O=C(CN1C[C@H]2[C@@H]3CCCCN3C[C@H]2C1)NCC1CC1 247806455 ZNYVFGSXNQNIIN-KFWWJZLASA-N 277.412 0.929 0 50 CCAA CN(C)c1cccc(S(=O)(=O)N2CC(O)(C3CC3)C2)c1 956998674 ILVCCKWXOOBSSL-UHFFFAOYSA-N 296.392 0.898 0 50 CCAA NC(=O)N1CCC(C(=O)N2CC(OC(F)F)C2)CC1 1775996539 ACUFOHLWIWSVGR-UHFFFAOYSA-N 277.271 0.227 0 50 CCAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)NCCCC(=O)O)[C@@H]1[C@H]3C2 262944317 BTGITGQEFPIWNR-BSFRTMCYSA-N 282.340 0.916 0 50 CCAA CC(C)n1ccnc1CNS(=O)(=O)c1cn[nH]c1 534643510 CROLCDYUKUZRPY-UHFFFAOYSA-N 269.330 0.666 0 50 CCAA Cc1cc(=O)c(C(=O)NC[C@H](CO)C(C)C)c[nH]1 334012747 XUVJMMFJWRTXDK-SNVBAGLBSA-N 252.314 0.678 0 50 CCAA CS(=O)(=O)C[C@H]1CCCN(c2cncc(N)n2)C1 386594774 FJFRKFMMHVLUTE-VIFPVBQESA-N 270.358 0.320 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1ccc2c(c1)CCC2 36236030 PADMVNXBHYKNFR-KBPBESRZSA-N 260.337 0.892 0 50 CCAA Nc1ncc(C(=O)NCCO[C@@H]2CCOC2)cc1Cl 2325762716 CTTDCDZCDBKBTQ-SECBINFHSA-N 285.731 0.853 0 50 CCAA CCN(C#N)c1nc(N(C)C)nc(N2CCOCC2)n1 4868051 TZCYNDLABULTFU-UHFFFAOYSA-N 277.332 0.082 0 50 CCAA COc1ccccc1[C@H]1CC(=O)Nc2nc(N)[nH]c(=O)c21 4944779 IWVLDALWLCXFNS-MRVPVSSYSA-N 286.291 0.835 0 50 CCAA C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 111713341 MPWAIPJGAOSGST-WDEREUQCSA-N 269.370 0.830 0 50 CCAA CC[C@H](NCCS(=O)(=O)NC)C(=O)Nc1ccccc1 65374516 IMASAEWWVCESPK-LBPRGKRZSA-N 299.396 0.543 0 50 CCAA Cn1ncc(CN2CC[C@@](N)(C(=O)O)C2)c1C1CC1 67920363 ROLRPCHXPBUXMK-ZDUSSCGKSA-N 264.329 0.285 0 50 CCAA Cc1ccc(CCN2C[C@@H](O)[C@H](N(C)CC(=O)O)C2)cc1 328607986 XWZCUGSONIIQPW-HUUCEWRRSA-N 292.379 0.599 0 50 CCAA C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](C)C1 229336939 UAWZECVLZMKRQJ-WOPDTQHZSA-N 288.413 0.362 0 50 CCAA CCN1CCN(C(=O)c2cnc(C)[nH]2)C[C@H]1c1ncc[nH]1 328615596 AYAQFXKIAMASQO-LBPRGKRZSA-N 288.355 0.960 0 50 CCAA O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1ccon1 121092218 OXAYFCPVMAQRFF-JTQLQIEISA-N 286.291 0.714 0 50 CCAA COC(=O)c1cnoc1CN1CCN(C)CC1(C)C 253419109 WCMUSHCSTPNMNK-UHFFFAOYSA-N 267.329 0.987 0 50 CCAA O=C(NC[C@H](O)c1ccccc1Cl)[C@H]1COCCN1 151444984 OAKUXPJCVGWYBP-NEPJUHHUSA-N 284.743 0.478 0 50 CCAA Cc1noc([C@@H]2CCCN2Cc2nc(O)n[nH]2)n1 329155475 CILHHDMBJHBUTB-ZETCQYMHSA-N 250.262 0.539 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1ccc(F)cc1C 156646325 SYUMRCSPQIEVCA-RYUDHWBXSA-N 252.289 0.851 0 50 CCAA CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 38534602 OTSGJEXXHXNHON-CYBMUJFWSA-N 276.336 0.940 0 50 CCAA Cc1nccc(C2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)n1 215928926 XYFMWPDQQAJKOI-UHFFFAOYSA-N 287.323 0.821 0 50 CCAA CN1CC[C@H](N(C)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1=O 332831942 AKLLQGJMIMOTFB-AVGNSLFASA-N 295.383 0.816 0 50 CCAA O=C(Cn1ccnn1)N[C@@H]1CCOc2ccccc21 175096452 ZCAPFRXXVGYPCI-LLVKDONJSA-N 258.281 0.918 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)c1nc[nH]c2nccc1-2 613497049 BHXXQZYKQWZMDE-GHMZBOCLSA-N 290.323 0.833 0 50 CCAA CN1CCC(C)(C(=O)N2CCN(c3nc[nH]n3)CC2)CC1 426722706 UYQOSFAFNPRLGB-UHFFFAOYSA-N 292.387 0.185 0 50 CCAA Cn1nc2c(c1C(=O)N1CCO[C@@H](C(=O)O)C1)CCCC2 426548662 YEUIVHOVOAHHER-LLVKDONJSA-N 293.323 0.225 0 50 CCAA O=C(CN1CC[C@H](CO)[C@@H](O)C1)Nc1ccccc1 517476568 GPAFZPHLPGDJPN-YPMHNXCESA-N 264.325 0.300 0 50 CCAA CC(C)[C@H](N)C(=O)N1CC[C@](O)(C(F)(F)F)C1 161819848 MJESIOKBAUCBPP-IONNQARKSA-N 254.252 0.495 0 50 CCAA CC(=O)N1CCC[C@H](C(=O)NCCCn2ccnn2)C1 91626246 WTHCVIBSRRMVSJ-LBPRGKRZSA-N 279.344 0.043 0 50 CCAA O=C1[C@@H]2[C@H]3C[C@H]4[C@H](O[C@H]([C@H]42)N1Cc1ccccc1)[C@H]3O 238900556 JNIYESDZDSVWHU-SQDLRVPESA-N 271.316 0.997 0 50 CCAA Cn1c(SCCCO)nnc1[C@H]1CCCNC1 426478630 AMANCONMWOIIQK-VIFPVBQESA-N 256.375 0.757 0 50 CCAA CN(C)c1cccc(NC(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 96151027 ANIFPDLUONFUQG-RYUDHWBXSA-N 293.367 0.817 0 50 CCAA COc1cc(C(=O)O)cc(C(=O)NCCN(C)CCO)c1 426523251 UWPBJALUAYFAGO-UHFFFAOYSA-N 296.323 0.047 0 50 CCAA C[C@]1(O)CCN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1O 96153303 RYILLSNISITRRT-FZMZJTMJSA-N 277.324 0.312 0 50 CCAA Cc1ccccc1[C@@H](C(=O)NCCS(C)(=O)=O)N(C)C 95367110 VPQIFQCCNLAZOK-ZDUSSCGKSA-N 298.408 0.759 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@@H]1[C@H]3[C@@H]4[C@@H]2[C@@H]2[C@H]1[C@@H]3[C@@]42c1ccccc1 248025151 JHJJFIMWKFHTAP-GFHONBIFSA-N 293.326 0.518 0 50 CCAA CNC(=O)c1ccc(C(=O)NCC2(C(=O)O)CC2)cn1 621572435 LQZCINZHSGNSTG-UHFFFAOYSA-N 277.280 0.036 0 50 CCAA Cc1nc2ncn(CC3CCCC3)n2c(=O)c1CCO 622021621 XTPKKVLLSVBMJX-UHFFFAOYSA-N 276.340 0.924 0 50 CCAA CCN1C[C@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H](OC)C1 534634159 BKSTZJFZJRWXAC-STQMWFEESA-N 292.383 0.597 0 50 CCAA CN(C)c1ncc(CN2CCN([C@H]3CCNC3)CC2)cn1 352693353 KIHHBVBWGNJSCM-AWEZNQCLSA-N 290.415 0.022 0 50 CCAA CCc1nn(C)c2c1NC(=O)[C@H](CC)N(C)C2=O 534667012 RSUKPYFITZLNDP-QMMMGPOBSA-N 250.302 0.785 0 50 CCAA Cn1ccnc1[C@@H](NC(=O)CCCn1cnnn1)C1CC1 828000846 CJHKPIOSQXFCOP-LBPRGKRZSA-N 289.343 0.454 0 50 CCAA COC[C@@H]1CCCN1S(=O)(=O)NCc1ccnc(C)c1 824371014 MGUHGDMJYZJBFC-ZDUSSCGKSA-N 299.396 0.835 0 50 CCAA CC(C)(CN1CCCC1)NC(=O)CN1CCC[C@@H](O)C1 828627390 LEPHKWQFPQTIPP-CYBMUJFWSA-N 283.416 0.434 0 50 CCAA CC(C)N(C)S(=O)(=O)N(C)Cc1noc(C2CC2)n1 670457000 OKUKNUZXGNKKNC-UHFFFAOYSA-N 288.373 0.964 0 50 CCAA Cc1nc(Cn2cc(O[C@@H]3COC[C@@H]3N)cn2)oc1C 685943593 YXVBUUVISDAYGM-NWDGAFQWSA-N 278.312 0.641 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCC(c3ncc[nH]3)CC2)N(C)C1 408035597 MXKXJEIJQQSHNA-STQMWFEESA-N 292.383 0.835 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1[C@H]2COC[C@H]1C2 408523338 REBSNZURGISXPM-GMTAPVOTSA-N 282.340 0.996 0 50 CCAA O=C(N[C@@H]1CCCC[C@H]1O)c1cccn2c(=O)[nH]nc12 272726880 JEJDJRNSRASQEA-NXEZZACHSA-N 276.296 0.056 0 50 CCAA O=C(C[C@H]1CSCCN1)N(C[C@H]1CCCN1)C1CC1 186517622 RQFJIFMMEUVQKJ-NEPJUHHUSA-N 283.441 0.825 0 50 CCAA Cc1cccc2c1N(C1CC1)CCN2CC(=O)NC(N)=O 187753106 CZSQTESEHGHOHR-UHFFFAOYSA-N 288.351 0.979 0 50 CCAA Cc1cnc2nc(C(=O)N3CCN(C4CC4)CC3)nn2c1 667359476 BBKMWMSJASEORD-UHFFFAOYSA-N 286.339 0.353 0 50 CCAA C[C@H]1CN(C(=O)CN[C@@H]2CCCn3nccc32)C[C@@H](C)O1 640216510 BGWXEFSCIWOEHJ-FRRDWIJNSA-N 292.383 0.943 0 50 CCAA CC[C@@H]1NC(=O)N(C[C@@H](O)COCC(C)C)C1=O 584908430 CEUNZLHKKXJUGN-ZJUUUORDSA-N 258.318 0.350 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)Cc2cn3c(n2)CCCC3)C1 652065006 IEYFQPPBVBSDRS-SNVBAGLBSA-N 277.324 0.695 0 50 CCAA Nc1ncc(CN2C[C@H](Cc3ccccn3)[C@@H](O)C2)cn1 1616068709 NJGKGVZWUCLLMH-JSGCOSHPSA-N 285.351 0.489 0 50 CCAA O=C(N[C@H]1COC2(CCNCC2)C1)c1ccn[nH]1 216400957 GDCXXZLFPRQURP-SECBINFHSA-N 250.302 0.051 0 50 CCAA CC[C@]1(O)CCN(C(=O)CCc2cnn(C)c2)C[C@@H]1O 212934619 HIBXCAUGOVWZMZ-JSGCOSHPSA-N 281.356 0.087 0 50 CCAA C[C@H](COC(=O)c1cnn2c1CCCC2)S(C)(=O)=O 225526920 CWLXNGVMOAHCMP-SECBINFHSA-N 286.353 0.809 0 50 CCAA O=C1CO[C@]2(CCN(C(=O)CC3=CCCC3)C2)CN1 1775979507 WJZNAFPOANFDBG-CQSZACIVSA-N 264.325 0.604 0 50 CCAA O=C(c1ccc(O)cc1F)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772808645 WXKNOCPIRNGBJE-PHIMTYICSA-N 281.283 0.204 0 50 CCAA Cc1c(Cl)cccc1CNC(=O)[C@@H](N)[C@@H](C)O 1857682428 KHCJQWIAOKLGKJ-KCJUWKMLSA-N 256.733 0.973 0 50 CCAA CC1(C(=O)N2C[C@@H]3C[C@H](CO)[C@H](CO)[C@@H]3C2)CC1 1857697225 KZUDOSUNDHOLHS-QCNOEVLYSA-N 253.342 0.482 0 50 CCAA O=C(O)CCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 5022218 MZEUGDZGVVPJBH-JGVFFNPUSA-N 257.673 0.979 0 50 CCAA C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)COC[C@H]1CCCO1 585125204 KHTPUBLDRFCPHX-MROQNXINSA-N 298.383 0.648 0 50 CCAA CNC(=O)c1ccc(C(=O)NC[C@H]2CCCO2)cn1 264157849 SZFGMRBZTQERQC-SNVBAGLBSA-N 263.297 0.350 0 50 CCAA CCC(=O)N1CC[C@@H](C(=O)OCc2nnc(C)cc2O)C1 802170137 MJUXIRYRMGFXCZ-SNVBAGLBSA-N 293.323 0.792 0 50 CCAA Cc1cnc(-c2noc([C@@H]3CN(C)C(=O)CN3)n2)s1 904733344 VEAGOPSODHJSTB-ZETCQYMHSA-N 279.325 0.604 0 50 CCAA Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCN[C@@H](C(C)C)C1 912765336 BBSHIEZHQMAZDX-GFCCVEGCSA-N 292.383 0.421 0 50 CCAA c1nsc(N2CCN(CCO[C@H]3CCOC3)CC2)n1 930632729 CFRSXBREMHZHHG-NSHDSACASA-N 284.385 0.466 0 50 CCAA Cc1ncc(C(=O)N2CC[C@@](C)(N(C)C)C2)c(=N)[nH]1 1875295329 GUTMQCDPLDCRCX-CYBMUJFWSA-N 263.345 0.364 0 50 CCAA C[C@H](N)C(=O)N[C@H]1Cc2n[nH]cc2[C@@H](C(F)(F)F)C1 1875276694 PZNXXASQUAPMTJ-BBVRLYRLSA-N 276.262 0.834 0 50 CCAA O=C1CCCC[C@H](C(=O)OC[C@H]2COC(=O)O2)N1 1875264183 RGZYKINFBJAIBH-JGVFFNPUSA-N 257.242 0.124 0 50 CCAA O=C(N[C@@H](CO)Cc1ccoc1)c1cnn2c1NCCC2 1875311797 ARNLOTVTZYFCOK-LLVKDONJSA-N 290.323 0.625 0 50 CCAA O=C(N[C@@H]1CCCC[C@H]1O)NS(=O)(=O)c1cccnc1 1875328535 XFQQYCVJNCLSGP-GHMZBOCLSA-N 299.352 0.373 0 50 CCAA C=CC(=O)N1CCC[C@H](N2C[C@@H](C)CS2(=O)=O)C1 1776006659 YXBOGMYZHDDZLZ-MNOVXSKESA-N 272.370 0.445 0 50 CCAA COCC1(CNC(=O)c2ccncc2)CCNCC1 261577584 CWNXAGNNAUIPMO-UHFFFAOYSA-N 263.341 0.828 0 50 CCAA N[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1c1ccccc1 261883463 YWMLRGOIOIVRHM-MELADBBJSA-N 260.337 0.976 0 50 CCAA COC(C)(C)CS(=O)(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 263027582 AYBFYSUYHHBLRJ-RKDXNWHRSA-N 279.358 0.394 0 50 CCAA O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ncn[nH]1 97960645 GHQNMKXHBGBQQQ-NKWVEPMBSA-N 252.661 0.827 0 50 CCAA CC(C)(C(=O)O)C(=O)Nc1cccc(OCC(N)=O)c1 574813701 GODJLGVDSIRNTN-UHFFFAOYSA-N 280.280 0.600 0 50 CCAA O=S1(=O)N=C(NC[C@H]2CCCO2)c2ccccc21 3433796 MNKXXCNMCUJCGG-SECBINFHSA-N 266.322 0.904 0 50 CCAA CC[C@H](C)N(CC(=O)O)C(=O)c1cccc[n+]1[O-] 225479748 TWJUMOMUFWFZGC-VIFPVBQESA-N 252.270 0.645 0 50 CCAA Nc1nnc(SCC(=O)N[C@@H]2CCSC2)s1 20587226 CEWUCQQHLIQSJZ-RXMQYKEDSA-N 276.412 0.834 0 50 CCAA Cc1cc(N2CCO[C@H](CCN)C2)n2nccc2n1 72475344 OPQRYVRWDOWHQJ-LLVKDONJSA-N 261.329 0.592 0 50 CCAA Cc1cccc(OC[C@@H](O)CN2C(=O)CCC2=O)c1 32192618 MXPWPNWUDOHCPM-NSHDSACASA-N 263.293 0.884 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)Cc2ccon2)[C@H]1C(=O)O 424365070 GCGWIZZPCBGJHS-WCBMZHEXSA-N 288.325 0.690 0 50 CCAA C[C@@H]1CNC(=O)CCN1Cc1ccc(N(C)C)nc1 216254443 NMIQIXXUIOXMRA-LLVKDONJSA-N 262.357 0.858 0 50 CCAA COC(=O)[C@H](C)N1CC(S(=O)(=O)NC2CCCC2)C1 253429079 GKELZLHOHISVNN-VIFPVBQESA-N 290.385 0.094 0 50 CCAA CCN1CCOC[C@H]1C(=O)N(C)CCn1cccn1 329403780 WUFWKFXUOMESLZ-LBPRGKRZSA-N 266.345 0.062 0 50 CCAA CCn1nc(C)cc1C(=O)N1CCN(C)[C@@H](CCO)C1 219290677 ATLSMJXPOHRDGE-LBPRGKRZSA-N 280.372 0.350 0 50 CCAA C[C@@H](Cc1cnccn1)NC(=O)c1cccc(N)n1 215922732 NALQIKXHOYCIFC-VIFPVBQESA-N 257.297 0.815 0 50 CCAA O=C(Cn1nc2ccccc2n1)N[C@H]1C[C@@H]2OCC[C@H]12 219293144 BXAAPNTVBRSSKA-ICCXJUOJSA-N 272.308 0.725 0 50 CCAA CN(C)c1ccc(S(=O)(=O)N2C[C@H](O)C3(CC3)C2)cn1 376326765 CNKLKCHJOFGCQG-NSHDSACASA-N 297.380 0.293 0 50 CCAA COCCn1ccnc1CN(C)CCn1ccnc1 215280482 XDFJJEDTMYAABN-UHFFFAOYSA-N 263.345 0.858 0 50 CCAA Cc1cc(=O)[nH]c(CCNC(=O)c2cc(=O)cc(C)o2)n1 219441037 TVNDPUMPJNKYJT-UHFFFAOYSA-N 289.291 0.312 0 50 CCAA Cc1nc2c(c(=O)n1C)CN(C(=O)Cc1ccncc1)C2 216287826 GROUJMQAFQVZNU-UHFFFAOYSA-N 284.319 0.569 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)C2(C)CC2)[C@H](C)C1 336434096 CTFCTVBUIVBEIZ-SNVBAGLBSA-N 274.386 0.669 0 50 CCAA CCNS(=O)(=O)N1CC[C@H](C2CCN(C)CC2)C1 378272343 XVGDLRBHVHWABH-LBPRGKRZSA-N 275.418 0.504 0 50 CCAA COCc1ccc(CN2CCO[C@H](C)[C@H]2C(N)=O)cc1 284484919 CEUAMXYEDMPUJF-RISCZKNCSA-N 278.352 0.908 0 50 CCAA CC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)COC1 426635672 YBFKAFVLIJANQQ-NSHDSACASA-N 263.293 0.835 0 50 CCAA Cc1cc(=O)cc(C(=O)N[C@H](C(=O)O)C2CC2)[nH]1 426567123 QTEKOZQUGITYCN-JTQLQIEISA-N 250.254 0.276 0 50 CCAA CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)N(C(=O)NO)[C@H]3C2 137312442 FYSORZDAOUCPGD-LAEOZQHASA-N 274.342 0.926 0 50 CCAA C[C@@]1(C(=O)NCCCc2nnc(N)s2)CCCO1 426406138 LVOBAPIIRMOFOV-NSHDSACASA-N 270.358 0.738 0 50 CCAA C[C@@H](Cc1cnccn1)N(C)C(=O)CN1CCOC1=O 223840376 RKRSRRFWNUZCJR-JTQLQIEISA-N 278.312 0.318 0 50 CCAA CN(Cc1nc2ccc(F)cc2[nH]1)C[C@@H](O)CO 97468301 SSFFAVWLOLEYNY-SECBINFHSA-N 253.277 0.487 0 50 CCAA Cc1nc(-c2cccc(NC(=O)NC[C@H](O)CO)c2)n[nH]1 91174217 ONONZIYVJPTCEW-NSHDSACASA-N 291.311 0.255 0 50 CCAA COCc1ccc(C(=O)N2C[C@H](CO)[C@H](CN(C)C)C2)o1 91817948 SWRMTURPWNLSSA-VXGBXAGGSA-N 296.367 0.668 0 50 CCAA CN1CCC[C@@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 294079199 JOUDPWLIJADIBB-MRXNPFEDSA-N 289.379 0.943 0 50 CCAA Cc1c[nH]c(CN(C)C(=O)C[C@H]2CN(C)CCN2C)n1 244735049 NSERNTRIMSVEDB-LBPRGKRZSA-N 279.388 0.312 0 50 CCAA CN(C)c1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)nc1 299308061 QYSPNBMQIYZSCY-SNVBAGLBSA-N 297.380 0.911 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)[C@@H]1Cc2cccc(F)c2O1 299746833 BHFKSFVWWCGPBV-QWRGUYRKSA-N 295.266 0.441 0 50 CCAA Cc1ccc(NC(=O)NC[C@@]2(O)CCOC2)nc1 184321719 GSNNBAYKVDOKQU-LBPRGKRZSA-N 251.286 0.663 0 50 CCAA CC(C)(CN1CCOCC1)N[C@H]1CCNC(=O)CC1 828305651 QQIWAUJWTKRCNN-GFCCVEGCSA-N 269.389 0.356 0 50 CCAA COc1nccnc1N[C@H]1CCCN(C(C)=O)C1 584891660 LVUDZACWHXAEOD-JTQLQIEISA-N 250.302 0.908 0 50 CCAA CN(C)CCN1CCN([C@H]2CCSC2)CCC1=O 823698141 MQFILHHSIDBQRJ-LBPRGKRZSA-N 271.430 0.588 0 50 CCAA Cc1[nH]nc(CCC(=O)NCCc2ncnn2C)c1C 584899275 YFAKOKLVTYXCIZ-UHFFFAOYSA-N 276.344 0.447 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)CCn1nnnc1C 584892698 DZVNZKZREYLVPX-ZETCQYMHSA-N 277.332 0.589 0 50 CCAA O=C(NCCCN1CCCC[C@@H]1CO)c1ccc(O)cn1 584891466 BWBJVOVIHDPUSJ-GFCCVEGCSA-N 293.367 0.754 0 50 CCAA CCc1nn(C)c2c(=O)n([C@H](CO)CCSC)cnc12 584885076 OUCHHXRTTMVPBP-VIFPVBQESA-N 296.396 0.979 0 50 CCAA CN1CC2(CCN(C[C@@H]3CCCOC3)CC2)OCC1=O 670468733 JAWHNOWTHOVXSI-ZDUSSCGKSA-N 282.384 0.736 0 50 CCAA CCN1CCC[C@H]1CN1CCc2c(c(C(N)=O)nn2C)C1 670437700 RTCWLNQORXFHAG-NSHDSACASA-N 291.399 0.361 0 50 CCAA COc1cccc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)c1 684577300 ZDRWKJIOGCSCMX-SNVBAGLBSA-N 298.364 0.594 0 50 CCAA O=C(c1ccc2nccn2c1)N1CCOC[C@H]1CO 244742048 OBCZCVOUZJZZKM-LLVKDONJSA-N 261.281 0.168 0 50 CCAA CCN1CCN(CC(=O)N2CCC(C)(C(=O)O)CC2)CC1 952977726 USJNYRQEEOFCCG-UHFFFAOYSA-N 297.399 0.337 0 50 CCAA N[C@@H](Cc1c(F)cccc1F)C1(O)CCNCC1 958528643 RDQSKXLUTRMHEG-LBPRGKRZSA-N 256.296 0.949 0 50 CCAA COC[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 275966950 NGDXXEWYCNZONL-CHWSQXEVSA-N 292.383 0.792 0 50 CCAA CC1(C(N)=O)CN(CCC(=O)Nc2cccc(F)c2)C1 573961094 MRSIHWLGTSRKBO-UHFFFAOYSA-N 279.315 0.962 0 50 CCAA Cn1cc(CC(=O)N[C@](C)(C(N)=O)c2ccccc2)cn1 170627485 JHGOXCUSCNIUIS-HNNXBMFYSA-N 286.335 0.480 0 50 CCAA O=C(NCc1ccc(CO)c(F)c1)[C@@H]1CCOC1 170855123 PFCCLSXETIOLKV-LLVKDONJSA-N 253.273 0.971 0 50 CCAA CN(Cc1ccon1)C(=O)CN1CCCC[C@@H](O)C1=O 644365962 JKPFPLWCRPKXEL-LLVKDONJSA-N 281.312 0.006 0 50 CCAA O=C(NCCc1ncc[nH]1)c1cc(O)nc(C2CC2)n1 579856240 KHMRRONPQYOJIS-UHFFFAOYSA-N 273.296 0.755 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 584954089 FOFUUJLACWSDOD-QHSBEEBCSA-N 299.135 0.154 0 50 CCAA Cc1cnc(N2CCC3(CC2)NC(=O)N(C)C3=O)nc1 678717681 FPBKNOOITLBBSC-UHFFFAOYSA-N 275.312 0.306 0 50 CCAA O=C(O)c1cnc(C(=O)N[C@@H]2COC3(CCC3)C2)cn1 585094062 FIUPHXLBKFPGSS-QMMMGPOBSA-N 277.280 0.616 0 50 CCAA C[C@]1(C2CC2)NC(=O)N(C[C@@H](O)c2ccc(F)cn2)C1=O 799608896 TYDJMYMGKQKQQZ-BXUZGUMPSA-N 293.298 0.975 0 50 CCAA OC[C@@H](O)C1CCN(Cc2noc(C3CC3)n2)CC1 1772709730 LNRKAFIHMWQKCD-LLVKDONJSA-N 267.329 0.512 0 50 CCAA Cc1cc(CC(=O)N2C[C@@H](O)[C@H](F)C2)cc(C)n1 1857683619 YBQPPFULHNFXBT-VXGBXAGGSA-N 252.289 0.782 0 50 CCAA COCc1noc(CNC(=O)c2cc(C)ncc2OC)n1 1857695524 NBXFNDYVLSZDAW-UHFFFAOYSA-N 292.295 0.858 0 50 CCAA Cc1cc(C[C@@H]2CN(c3ncc(F)cn3)C[C@H]2O)on1 1704310540 ZZSDBUMAUQESOF-BXKDBHETSA-N 278.287 0.952 0 50 CCAA C[C@H]1CNCCN1C(=O)CCOC1CCOCC1 125429383 JZPUGVINJICQHW-NSHDSACASA-N 256.346 0.392 0 50 CCAA CN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)C(=O)CCO2 457350923 UROQTMULOYREAP-UHFFFAOYSA-N 299.304 0.357 0 50 CCAA C[C@]12C[C@H]1CN(C(=O)c1cnc(N3CCOCC3)nc1)C2 1772813067 UUMJHVBRJVXKLI-SWLSCSKDSA-N 288.351 0.795 0 50 CCAA Cn1nc(Br)nc1N1CCCNCC1 1772491372 SGXRSMJCUCCTNS-UHFFFAOYSA-N 260.139 0.377 0 50 CCAA COc1cc2nc(NN)n(C)c(=O)c2cc1OC 15424555 TZSFBXBXSAPOSI-UHFFFAOYSA-N 250.258 0.236 0 50 CCAA CCc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2)s1 226316176 INACQSZWIHJYIF-LDYMZIIASA-N 254.355 0.650 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cc2cc(F)ccc2F)CCO1 237962332 WCAPUYOLBDNDFG-NSHDSACASA-N 285.246 0.819 0 50 CCAA Cc1nonc1CNC(=O)[C@H](C(=O)O)C1CCCC1 852950046 NDCOGJDGVVZVQF-SNVBAGLBSA-N 267.285 0.885 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)C[C@H]1N 235375761 ZWTGFYBJQACYMH-BXKDBHETSA-N 273.336 0.991 0 50 CCAA O=C(NCCOCC(F)(F)F)C(F)(F)CO 1875272839 RDBTWYUDABDTSN-UHFFFAOYSA-N 251.151 0.309 0 50 CCAA CC(C)(C)[C@H]1CCN(c2ccc(S(N)(=O)=O)nn2)C1 1875287231 ZPAZEEXECBGEAG-VIFPVBQESA-N 284.385 0.996 0 50 CCAA N[C@@]1(CC(=O)N2CCCCCCC2)CCS(=O)(=O)C1 1875339138 AQBQOJDCUSMWGN-CYBMUJFWSA-N 288.413 0.685 0 50 CCAA CC(C)C[C@@H](CN)NC(=O)c1cccn(C)c1=O 262595265 HSZPKNLAQLNTED-JTQLQIEISA-N 251.330 0.489 0 50 CCAA CC[C@H](NC(=O)c1cccc(C)c1O)C(=O)NC 457026179 WLGDZGTXOHUQSG-JTQLQIEISA-N 250.298 0.955 0 50 CCAA Cn1nnnc1SCC(=O)N1CCc2ccccc2C1 94685 QJBLCFSCBCSNNR-UHFFFAOYSA-N 289.364 0.887 0 50 CCAA C[C@H]1OCC[C@H]1NC(=O)N1CCC(Cn2ccnn2)CC1 134401644 FNGGFMWQSAYNLU-DGCLKSJQSA-N 293.371 0.877 0 50 CCAA CC(C)N(CCC(N)=O)C(=O)[C@H]1CC(=O)OC12CCCC2 67966041 RHZGRGRJIUREKQ-LLVKDONJSA-N 296.367 0.975 0 50 CCAA O=C(NC1(c2nn[nH]n2)CCCC1)c1cnc2[nH]nnc2c1 349111156 SANDMYQSFBCKQR-UHFFFAOYSA-N 299.298 0.065 0 50 CCAA CN(Cc1cccc2cnccc12)C(=O)[C@@H]1C[C@@H](O)CN1 77387463 JLQKMZHJXQQQSE-HIFRSBDPSA-N 285.347 0.916 0 50 CCAA CCOC(=O)c1nccn1CCSc1cn[nH]n1 71774704 UZOIFTMHRQPBHC-UHFFFAOYSA-N 267.314 0.970 0 50 CCAA CCN1CCN(CCOc2ccccc2OC)C(=O)C1=O 33359711 CVDNQKCYYMPXIW-UHFFFAOYSA-N 292.335 0.765 0 50 CCAA C[C@H]1CN(C2CCN(C(=O)c3cc[nH]n3)CC2)CCO1 363050308 AVHCWTBYGISIJD-NSHDSACASA-N 278.356 0.735 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC[C@@]12CCOC2 367649686 WFRCSAIMWZZTGG-ZDUSSCGKSA-N 252.314 0.460 0 50 CCAA COCc1nnc(C(=O)N(C)Cc2snnc2C)o1 71763468 SSZDFHZJGWLSSA-UHFFFAOYSA-N 283.313 0.648 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1ncccc1O 72424748 QNSPKFOCJYVOLI-MRVPVSSYSA-N 266.253 0.103 0 50 CCAA Cc1n[nH]c(CN(C)C(=O)[C@@H]2CCC[C@@H]2C(=O)O)n1 128184004 CCPIMWUTLKLGIF-BDAKNGLRSA-N 266.301 0.572 0 50 CCAA CC[C@H](COC)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C 284737241 DDLVAXYOIXMJMD-JTNHKYCSSA-N 280.372 0.754 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1c1nccc(OC)n1 284426387 AFGXNGUAIKUSLH-UWVGGRQHSA-N 253.302 0.725 0 50 CCAA O=C(CO)N[C@@H]1CCOC[C@H]1OCc1ccccc1 223173113 WKGGZYUDOCBTRZ-CHWSQXEVSA-N 265.309 0.469 0 50 CCAA CCO[C@H]1CN(Cc2cc(=O)c(OC)co2)C[C@@H]1O 220202023 UEFNKWVCQHJVHI-RYUDHWBXSA-N 269.297 0.230 0 50 CCAA CCC(CO)(CO)NC(=O)[C@H](c1ccc(C)cc1)N(C)C 91547772 KTEFGXCJSAMVKB-AWEZNQCLSA-N 294.395 0.847 0 50 CCAA OCc1cnn(-c2ccnc(N3CCOCC3)c2)c1 95704774 ULIBJUUGTOICKK-UHFFFAOYSA-N 260.297 0.596 0 50 CCAA CC(C)(C)OC(=O)N1CCN(C(=O)N2CCNCC2)CC1 143900737 RERBITYCANEVPA-UHFFFAOYSA-N 298.387 0.564 0 50 CCAA CN(C)Cc1csc(CN2CCO[C@H](C(N)=O)C2)c1 97698908 VNPPNHXEJZAVQV-LBPRGKRZSA-N 283.397 0.496 0 50 CCAA O=C(c1ccoc1)N1CCCN(CCn2cncn2)CC1 244874482 XCBAMYMXLBCKSV-UHFFFAOYSA-N 289.339 0.719 0 50 CCAA CCC1=NO[C@H](CN2CCN(c3nc[nH]n3)CC2)C1 252497066 PYDPUOSVCPJUBV-NSHDSACASA-N 264.333 0.482 0 50 CCAA Cc1ccnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)c1 299753920 ZUATYXWGYWSJPV-NSHDSACASA-N 286.339 0.922 0 50 CCAA CCCn1ccnc1CNS(=O)(=O)N1CCCC1 534576776 XQYQQBOTGUNYEN-UHFFFAOYSA-N 272.374 0.723 0 50 CCAA Cc1nc(N)sc1CC(=O)NCCSc1nc[nH]n1 827861460 FZYNRAURGZPPPU-UHFFFAOYSA-N 298.397 0.603 0 50 CCAA CC(C)CN1C[C@H](c2ncnn2CCO)CC1=O 828778534 VAIRRAMUWLXTMQ-SNVBAGLBSA-N 252.318 0.242 0 50 CCAA Nc1ccc(O)cc1C(=O)NCCCN1CCC[C@@H](O)C1 828627343 CWNCFWURNDHEPG-GFCCVEGCSA-N 293.367 0.551 0 50 CCAA CC(C)c1cc(N2CC(O)(C(N)=O)C2)nc(C(C)C)n1 585132825 YOSWPIKDAXMIFD-UHFFFAOYSA-N 278.356 0.760 0 50 CCAA Nc1ncccc1CNC(=O)c1nc(C2CC2)no1 585137142 KDFQZXYZZCXQSX-UHFFFAOYSA-N 259.269 0.854 0 50 CCAA CCOC(=O)[C@H](O)Cn1cc(-c2cncs2)nn1 594645221 XZEUINKQMRACJN-MRVPVSSYSA-N 268.298 0.326 0 50 CCAA C[C@H]1CN(C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)C[C@@H](C)O1 239174569 QGEBSPUADLHOLP-OHUUWBQVSA-N 283.324 0.500 0 50 CCAA Cc1cc(C(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cnn1 1339029858 PPAYFIXGCAGJNR-YVECIDJPSA-N 257.293 0.810 0 50 CCAA Cc1ncc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)O)s1 268964804 CDNAHBOFTTWYDC-VMZHVLLKSA-N 282.321 0.777 0 50 CCAA NC(=O)C[C@H]1CN(C(=O)c2ccc3ccncc3c2)CCO1 629404502 OPXQPZYBKPFBLC-AWEZNQCLSA-N 299.330 0.951 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)NCCc1cnn(C)c1 276832656 HIMZODABRWKZPQ-CMPLNLGQSA-N 251.330 0.894 0 50 CCAA CC(C)[C@@H](NC(=O)C1CCN(C2CC2)CC1)C(N)=O 170615780 KZUUFASIZYWNPT-GFCCVEGCSA-N 267.373 0.487 0 50 CCAA C[C@@H]1[C@@H](C)N(C(=O)[C@H]2CCCO2)[C@H](C)C(=O)N1C 585125439 SJWVHYUXLFHLFX-GWOFURMSSA-N 254.330 0.632 0 50 CCAA CNC(=O)c1cccnc1NS(=O)(=O)C[C@@H](C)OC 585129456 KFNQYXJRIXVXCA-MRVPVSSYSA-N 287.341 0.218 0 50 CCAA CS[C@H](CO)[C@H](C)NC(=O)c1[nH]c(C)nc1C 598691752 WHEAYKLRYPEMSB-IMTBSYHQSA-N 257.359 0.869 0 50 CCAA CN(Cc1nc(=O)o[nH]1)C(=O)c1ccc2n[nH]cc2c1 1640038120 CGELLMHUKKKXNQ-UHFFFAOYSA-N 273.252 0.511 0 50 CCAA O=C(CN1CCC[C@@H](NCC(F)(F)F)C1)NC1CC1 1615587555 HDEBTRJLTIXXAV-SNVBAGLBSA-N 279.306 0.881 0 50 CCAA CNS(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 1055610 BKSCXOTYYNGCJD-UHFFFAOYSA-N 292.320 0.637 0 50 CCAA Cc1cccc(CC(=O)N2CC3(CNC(=O)N3C)C2)c1 1857700133 OOJOJVFEQSJSHC-UHFFFAOYSA-N 273.336 0.774 0 50 CCAA CO[C@H](C(=O)N1CC(CC(=N)O)C1)c1cnn(C)c1 331785264 OPIGAQAMJQUUMO-NSHDSACASA-N 266.301 0.491 0 50 CCAA Cc1ccc(Cl)cc1NC(=O)C(=O)NCCO 5059602 DGZUMVQSMSSLNS-UHFFFAOYSA-N 256.689 0.695 0 50 CCAA CCCCOC(=S)N[C@@H]1CCS(=O)(=O)C1 5107237 GIRGMDBHGDTPQA-MRVPVSSYSA-N 251.373 0.865 0 50 CCAA CCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 16648875 QCGRJCPKNZVXHV-UHFFFAOYSA-N 286.353 0.452 0 50 CCAA C=CC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 863971551 YGXMVHSJDGDPSU-JTQLQIEISA-N 258.343 0.199 0 50 CCAA Cc1cc(C(=O)N2CC(N3CCOCC3)C2)ns1 863948046 WQMMALODCPCQDP-UHFFFAOYSA-N 267.354 0.608 0 50 CCAA O=C1C[C@H]2N(Cc3ncc[nH]3)CC[C@]23OCCCN13 1857725237 YCWDYMJCGGSVNP-MFKMUULPSA-N 262.313 0.333 0 50 CCAA C[C@@H]1CCN(C(=O)N2CC[C@H](n3cc(C(N)=O)nn3)C2)C1 643734097 VQDATWVEVKSUFJ-ZJUUUORDSA-N 292.343 0.086 0 50 CCAA C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)COC[C@@H]1CCCO1 585125205 KHTPUBLDRFCPHX-VOAKCMCISA-N 298.383 0.648 0 50 CCAA C[C@@H](C(=O)O)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 263549882 JYQRASKLDMVFCP-ZJUUUORDSA-N 276.292 0.629 0 50 CCAA O=C1CC[C@@H]2CN(C(=O)C3(n4cccn4)CC3)CC[C@H]2N1 825191713 APDKNADBAVAMTL-VXGBXAGGSA-N 288.351 0.499 0 50 CCAA C[C@@H](CNC(=O)c1cccc2c1CCOC2)S(N)(=O)=O 935182530 IOKRNYGOPSWQMX-VIFPVBQESA-N 298.364 0.166 0 50 CCAA O=C1CN(NC(=O)c2ccnc(C3CCCC3)n2)C(=O)N1 1875254916 VUGBVAGBHYPPQL-UHFFFAOYSA-N 289.295 0.331 0 50 CCAA CN(Cc1nc(O)n[nH]1)C(=O)Cc1cccs1 1875296336 RAHJDHHCOVXCAW-UHFFFAOYSA-N 252.299 0.773 0 50 CCAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@H]3Cc4nccn4C3)[C@@H]2C1 1875304523 MJRGZJZUCAMXHX-YBXAARCKSA-N 289.335 0.671 0 50 CCAA C[C@@]1(C(=O)O)CCCN(C(=O)[C@@H](C(=O)O)C2CC2)C1 1875358421 VOTHEJASLIGLBB-TVQRCGJNSA-N 269.297 0.811 0 50 CCAA OCC[C@@H]1CCCCN1C[C@@H](O)COC[C@H]1CCCO1 247729933 GMSIBAZBZPSFCX-RRFJBIMHSA-N 287.400 0.780 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)NCc2ncoc2C)C1=O 886074620 HXHLUAITRPDFSI-GFCCVEGCSA-N 295.339 0.627 0 50 CCAA CC(C)(C)OC(=O)NC[C@H]1CNC[C@]1(F)C(=O)O 1772715830 WGPNHLMFUYSENG-RDDDGLTNSA-N 262.281 0.523 0 50 CCAA N[C@H]1CN(C(=O)c2ccc3c(n2)CNCC3)CC12CCC2 1775961793 ANVVAOKYVWYUSD-AWEZNQCLSA-N 286.379 0.681 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)C2 250991608 NMJGZPUTQOXCML-AEJSXWLSSA-N 299.352 0.653 0 50 CCAA O=C(O)C[C@@H]1COCCN1S(=O)(=O)Cc1ccccc1 72159159 DCIUWRIUVJFUSC-GFCCVEGCSA-N 299.348 0.692 0 50 CCAA NC(=O)[C@]1(O)CCCN(Cc2nccn2C(F)F)C1 311505185 GCHGJZVXHPWLDU-NSHDSACASA-N 274.271 0.090 0 50 CCAA CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCc2nn[nH]c2C1 328748945 BKMQEFUHSPCXQQ-ZJUUUORDSA-N 264.329 0.547 0 50 CCAA O=C(NC[C@@]1(C(=O)O)CCCOC1)[C@@H]1CCOC1 630338639 ZMGZGDRTNXMPLV-SKDRFNHKSA-N 257.286 0.021 0 50 CCAA Cc1cn(CCNC(=O)c2cnc3cnn(C)c3c2)nn1 2100557654 YGAIWUPCDGTFTH-UHFFFAOYSA-N 285.311 0.298 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(CNC(=O)CC2=O)C1 204486870 VVCRPJXQMHUCTG-ZDUSSCGKSA-N 268.313 0.703 0 50 CCAA NC(=O)NC(=O)C[C@@H]1Sc2ccccc2NC1=O 89285 NNVZBOHALKWGFI-QMMMGPOBSA-N 265.294 0.684 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC(C)C)C1 10302137 AYLZRXOIXAZWIS-LLVKDONJSA-N 276.402 0.820 0 50 CCAA CCCn1ncc(CN2CC[C@](O)(CO)C2)c1C 215877009 SYJDAJZEEKKNTJ-CYBMUJFWSA-N 253.346 0.531 0 50 CCAA CCN(CC)c1nc(N)cc(N2CC[C@@H](O)C2)n1 65494276 VXVVSTSYHXKELU-SECBINFHSA-N 251.334 0.476 0 50 CCAA CS(=O)(=O)N[C@@H]1CCCN(C[C@H]2CCC=CO2)C1 249082928 SRYBCPMUDJPYNI-VXGBXAGGSA-N 274.386 0.693 0 50 CCAA C[C@H]1c2cccn2CCN1C(=O)Cc1cc(=O)[nH]nc1O 67872685 LSBRJEDCLLPATG-VIFPVBQESA-N 288.307 0.423 0 50 CCAA C[C@H]1C[C@@H](C(=O)Nc2ccc(-n3nnnc3O)cc2)CO1 329316701 HQRWSVTYFFCPLY-DTWKUNHWSA-N 289.295 0.731 0 50 CCAA Cn1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1 331660044 SFFSUIOBWJMCBI-YRGRVCCFSA-N 291.351 0.581 0 50 CCAA CC[C@H](Cn1cncn1)N[C@@H]1CCO[C@@]2(CCOC2)C1 329511044 KITSSPPORRRXEF-MCIONIFRSA-N 280.372 0.984 0 50 CCAA COc1ccc(F)cc1C(=O)NCc1noc(C(N)=O)n1 219012388 OBWJLIJBRJVKKB-UHFFFAOYSA-N 294.242 0.246 0 50 CCAA CN(C(=O)CC1(O)CCCC1)[C@@H]1CCCCNC1=O 369953502 YWXDSLRFNQSWLN-LLVKDONJSA-N 268.357 0.809 0 50 CCAA O=C(c1ccc(OC(F)F)cn1)N1CC(NC2COC2)C1 1363012000 UTMBCNXJJVMPQL-UHFFFAOYSA-N 299.277 0.496 0 50 CCAA O=C(N[C@@H]1COc2ccccc2C1)C(=O)N1CCCC1 215791030 HJAMUFRRBGZBHB-LBPRGKRZSA-N 274.320 0.729 0 50 CCAA CCNc1nc(C)c(C(=O)N[C@@H](C)c2nc(=O)[nH][nH]2)s1 215496039 YFESZNDKWXABSE-LURJTMIESA-N 296.356 0.786 0 50 CCAA NC1C[C@@H]2CCC[C@H](C1)C2NS(=O)(=O)C1CC1 335742747 MFKKGPTVMNZQJY-GJYTXDDASA-N 258.387 0.974 0 50 CCAA O=C(NCc1cc(=O)cc[nH]1)c1cc(O)nc(C2CC2)n1 1363261401 IQCPNDGTSVRIHQ-UHFFFAOYSA-N 286.291 0.678 0 50 CCAA Cc1nnnn1Cc1ccc(C(=O)NCc2ccno2)cc1 426594785 FKVPZRVQAGQIBM-UHFFFAOYSA-N 298.306 0.948 0 50 CCAA CC(=O)SCCOCCOCCOCCO 83254128 KKUXNAQDZRWEKI-UHFFFAOYSA-N 252.332 0.308 0 50 CCAA in-vitro CC[C@@H]1CN(C)CCCN1C(=O)c1ccc2nnnn2c1 614331894 UHQIJWIQOKVKPL-GFCCVEGCSA-N 288.355 0.681 0 50 CCAA c1cc2nsnc2cc1CN1C[C@@H]2NCCO[C@H]2C1 426501743 IABJGMFTRAHAKK-STQMWFEESA-N 276.365 0.864 0 50 CCAA CC1(C)C[C@@H]1C(=O)NCc1nc(-c2cnccn2)n[nH]1 426493241 RGQLQRZVLDCOGO-MRVPVSSYSA-N 272.312 0.924 0 50 CCAA COCCN(C)C(=O)Nc1ccc(-c2nnn(C)n2)cc1 96133619 BZQFWDQYQJRECL-UHFFFAOYSA-N 290.327 0.987 0 50 CCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cc(C2CC2)no1 616775693 VPPJYFDHXKUJLL-DMDPSCGWSA-N 288.307 0.853 0 50 CCAA CN(C)c1nc(N2CCC3(CC2)C[C@@H](O)CO3)ncc1F 91486172 NNTYUQPMCBQQPR-SNVBAGLBSA-N 296.346 0.802 0 50 CCAA OCCO[C@H]1C[C@@H](O)C12CCN(c1ncccc1F)CC2 92045561 OCUDWQHYILVTJC-OLZOCXBDSA-N 296.342 0.949 0 50 CCAA CCc1ccnc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 181703208 RMOVHDYCKGNILV-SNVBAGLBSA-N 268.338 0.561 0 50 CCAA NC(=O)c1cncc(NCC[C@H]2CCCOC2)n1 528071516 DUCKDRXKSVBANG-SECBINFHSA-N 250.302 0.804 0 50 CCAA CC(C)(C)[C@@H]1OCCC[C@H]1CN=c1[nH]c(=N)[nH]c(=N)[nH]1 623981816 WDFJIYHXJCJZBX-DTWKUNHWSA-N 280.376 0.372 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)COC[C@H]1CCOC1 299741334 DUKYMIPAMSMNJL-VHSXEESVSA-N 257.286 0.115 0 50 CCAA CC(C)C(=O)N[C@H]1CC[C@H](C(=O)N2CCCC2)C[C@@H]1O 1940195121 MGRZXVGHWKZEBN-AVGNSLFASA-N 282.384 0.911 0 50 CCAA O=C(C1CCOCC1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299774294 GAGAOPLSWHLCTA-STQMWFEESA-N 292.339 0.377 0 50 CCAA C[C@@H](CNC(=O)N(CCCO)Cc1cccnc1)N(C)C 828753643 CAXJUAIZVGGCMA-ZDUSSCGKSA-N 294.399 0.926 0 50 CCAA C[C@]1(c2nc(CC(N)=O)nn2CC(F)(F)F)CCCO1 826842289 OZMLJTDWJQWARY-SNVBAGLBSA-N 292.261 0.894 0 50 CCAA CC(C)CS(=O)(=O)N[C@H]1COC[C@@H]1N1CCCC1 821391291 CXGGYHRHUPYXEB-RYUDHWBXSA-N 276.402 0.425 0 50 CCAA Cc1cccc(-n2nc(CC(N)=O)nc2[C@H]2CCOC2)n1 826842252 OPLLXTAKKNOGGJ-JTQLQIEISA-N 287.323 0.502 0 50 CCAA COCC[C@@H]1CN(CC(C)(C)N2CCOCC2)CCO1 824384132 MZHUBKFYZYOSQQ-CQSZACIVSA-N 286.416 0.835 0 50 CCAA CN1C[C@H](CNC(=O)CCC(F)(F)F)OCC1=O 670452013 XOSQGAWOMZWZIG-ZETCQYMHSA-N 268.235 0.302 0 50 CCAA C[C@H](C(=O)O)N(C)C(=O)C1CCN(c2cnccn2)CC1 269094649 ZGDKJDKSNKKYJJ-SNVBAGLBSA-N 292.339 0.625 0 50 CCAA O=C(Nc1cnn(Cc2ccncc2)c1)[C@H]1C[C@H](F)CN1 188751038 NHJDPRBTUWKOFW-WCQYABFASA-N 289.314 0.965 0 50 CCAA Cc1nocc1CN1CCC[C@@](O)(CC(=O)N(C)C)C1 643752562 PWIOCEUWXGWOPE-CQSZACIVSA-N 281.356 0.788 0 50 CCAA COC[C@H]1CN(c2nc(=N)[nH]c3c2CCCC3)CCO1 645180563 DJLIZVIBCHSWMV-SNVBAGLBSA-N 278.356 0.620 0 50 CCAA CN(C)CC1(O)CCN(C(=O)C[C@H]2CCOC2)CC1 584886018 OIYNRXLKOIBRRF-GFCCVEGCSA-N 270.373 0.328 0 50 CCAA C[C@H]1c2cccn2CCN1C(=O)c1ccc2c(c1)COB2O 584927761 KSYJKVLHIFFDJT-NSHDSACASA-N 296.135 0.923 0 50 CCAA COC(=O)c1cnc(N2CCC(CCO)CC2)nc1 569951686 KNFZDHCGZKBYCV-UHFFFAOYSA-N 265.313 0.862 0 50 CCAA COc1ccc(CN2CC[C@@H](N3CC[C@H](O)C3)C2=O)cc1 659879914 FKSVFOIGRQDEIU-DZGCQCFKSA-N 290.363 0.863 0 50 CCAA CC1(C)CCN(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)C1 1615003017 XEYAHMJSHYQKEW-IAQYHMDHSA-N 296.367 0.278 0 50 CCAA O=C(N1CCCn2nncc2C1)[C@@]12CCCC[C@@H]1NCC2 1615546486 LLXHPQSRAWVNIZ-DZGCQCFKSA-N 289.383 0.933 0 50 CCAA C[C@@](O)(C(=O)NCc1cccc(S(C)(=O)=O)c1)C1CC1 1615589390 AWYMZFLAIWWTFH-AWEZNQCLSA-N 297.376 0.867 0 50 CCAA O=C1NCCC[C@]12CN(Cc1cnsc1)CC[C@@H]2O 1857703023 FJPBFOGNLKQFOE-WCQYABFASA-N 281.381 0.606 0 50 CCAA CCn1nc(C)c(C(=O)N[C@@H]2COCC2(C)C)n1 837003729 YIADJDYHRAMXPE-SECBINFHSA-N 252.318 0.761 0 50 CCAA Cc1cc(C(=O)NS(=O)(=O)CC(F)F)cc(O)n1 851360252 BMHJMYSOSGWNDE-UHFFFAOYSA-N 280.252 0.420 0 50 CCAA NC(=O)[C@H]1CCCN1C1CCN(CCCF)CC1 131228290 VSIXZLRQPBBSQC-GFCCVEGCSA-N 257.353 0.760 0 50 CCAA CC(=O)c1cnc(NCCCc2nn[nH]n2)nc1C 1704314905 XTIQTHPQADAGRD-UHFFFAOYSA-N 261.289 0.545 0 50 CCAA O=C(CCC(F)(F)F)N1C[C@@H]2CNC[C@]2(CO)C1 1772701052 HCUPORQSVKWQCA-WCBMZHEXSA-N 266.263 0.369 0 50 CCAA CCS(=O)(=O)N[C@@H]1CCCc2nc(N(C)C)ncc21 12053159 OKQALBSNXHPUSL-LLVKDONJSA-N 284.385 0.859 0 50 CCAA CN1C(=O)NCC12CN(c1ccc(Cn3ccnc3)cn1)C2 1857696808 DLTVBIQEQHPMMD-UHFFFAOYSA-N 298.350 0.540 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CCCN2)CCN1CC(F)(F)F 237457626 KRTXNQAVPJJCDH-NXEZZACHSA-N 279.306 0.833 0 50 CCAA O=C(c1ccc(N2CCOCC2)c(F)c1)N1CCNCC1 237908968 RAXCWVVLJWPEID-UHFFFAOYSA-N 293.342 0.708 0 50 CCAA CN1CCN(CCC(=O)Nc2cccc(F)c2)[C@H](CO)C1 585116124 HXYCNOFESLCMAJ-AWEZNQCLSA-N 295.358 0.763 0 50 CCAA C=CC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 863971552 YGXMVHSJDGDPSU-SNVBAGLBSA-N 258.343 0.199 0 50 CCAA COCC1CN(S(=O)(=O)c2cc3c(cc2C)OCO3)C1 864097335 TVEGJNJYPGXNPX-UHFFFAOYSA-N 299.348 0.991 0 50 CCAA Cn1cnc(CCCNC(=O)c2ccc(O)cn2)n1 1299893705 WWVRHFWTPBVQDR-UHFFFAOYSA-N 261.285 0.278 0 50 CCAA O=C1C[C@H](CNC(=O)N=c2nc(C3CC3)[nH]s2)CN1 1875267631 BZSAEYCSLBGMQM-LURJTMIESA-N 281.341 0.095 0 50 CCAA CN(CCNS(C)(=O)=O)C(=O)c1ccc(F)cc1F 1875258182 WRUILTBDKMQZRV-UHFFFAOYSA-N 292.307 0.586 0 50 CCAA C=CC(=O)N1CC(C(=O)N[C@@H]2CCCc3c2cnn3C)C1 1875386939 FXBSNIKLHHOOGY-GFCCVEGCSA-N 288.351 0.558 0 50 CCAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@@H]2C1 1875306179 WPWBYJWYZNBWDO-KAMPLNKDSA-N 253.298 0.638 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(C2CCOCC2)C1 886096966 QEDLFVITIFABGU-AWEZNQCLSA-N 270.373 0.471 0 50 CCAA Cc1ncncc1C(=O)N[C@]1(c2ncc[nH]2)CCOC1 886095427 WCNKMAZMCYQHSA-CYBMUJFWSA-N 273.296 0.554 0 50 CCAA CN(C)S(=O)(=O)CCCOc1ccc(F)cn1 888096136 LQSZDOOSYNVDNB-UHFFFAOYSA-N 262.306 0.881 0 50 CCAA NC(=O)[C@H](O)C1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 1775959061 CGIUCFFPICCOPU-ZNMIVQPWSA-N 290.363 0.203 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C)C(=O)C[C@H](N)c1ccccc1 170682399 AMSBTOJPYHRJTI-YPMHNXCESA-N 298.408 0.968 0 50 CCAA CCc1nccn1CCCN1C[C@H](C(=O)O)CC1=O 65396576 FEXBUHWUXZOOFT-SNVBAGLBSA-N 265.313 0.769 0 50 CCAA CCC1(C(=O)O)CCN(C[C@H]2COCCO2)CC1 708526569 GUSVBYHMTRAYKX-NSHDSACASA-N 257.330 0.979 0 50 CCAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cn2cccn2)C1 379254196 DLVMHFNKFOXGLF-IUCAKERBSA-N 276.262 0.764 0 50 CCAA NCC(CN)NC(=O)COc1ccc(Cl)cc1 389266574 JSSWNXBABASMRY-UHFFFAOYSA-N 257.721 0.121 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 255611 WSVGZFWJCRPWAG-UHFFFAOYSA-N 284.337 0.666 0 50 CCAA Cn1ccc2ccc(C(=O)NCCCc3nn[nH]n3)nc21 2356146703 QVKSXYGEIDMONQ-UHFFFAOYSA-N 285.311 0.449 0 50 CCAA Cc1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)C1 4185678 XCGMQBNZFYJDNN-SNVBAGLBSA-N 253.323 0.912 0 50 CCAA CCCn1nnnc1Cn1c(Cl)cccc1=O 225471352 OTBTUCBLAQLPBH-UHFFFAOYSA-N 253.693 0.947 0 50 CCAA CCOC(=O)c1c[nH]c2nc(-c3ccco3)nn2c1=O 101201320 KMYVJHXEVOGTOI-UHFFFAOYSA-N 274.236 0.854 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)C1 237956549 CMVRSGPUYMJGGH-QNWHQSFQSA-N 268.357 0.520 0 50 CCAA CN=c1[nH]c(N2CCCO[C@H](CN)C2)nc2ccccc12 420287179 RFZOGRIYOAAJGA-LLVKDONJSA-N 287.367 0.647 0 50 CCAA CNC[C@H](O)CN(C)C[C@H](O)COc1ccc(C)cc1C 101508656 FSDQDNNSFMEJJO-GJZGRUSLSA-N 296.411 0.555 0 50 CCAA CN1CCN(CCOc2ccccc2CO)CC1 20639461 QIVXJCGMKJGDAL-UHFFFAOYSA-N 250.342 0.805 0 50 CCAA Cc1nc(CN2CCN(C(=O)c3ccc[nH]3)CC2)no1 171804791 BQTJCNRXCQOVMT-UHFFFAOYSA-N 275.312 0.664 0 50 CCAA CC(=O)N1CCO[C@@H](CNC(=O)CCc2cccnc2)C1 67787820 DGDOMILHEPZSPZ-AWEZNQCLSA-N 291.351 0.378 0 50 CCAA C=CC(=O)N1CCC2(CC1)CCS(=O)(=O)CC2 328597648 IKYXUIOMCOHSOQ-UHFFFAOYSA-N 257.355 0.990 0 50 CCAA O=c1[nH]nc(CNC[C@]2(O)CCCNC2)c2ccccc12 77424443 MBYOBKQJPAATAR-HNNXBMFYSA-N 288.351 0.127 0 50 CCAA O=C(Cc1ccc(F)cc1Cl)N[C@@H]1CCNC[C@H]1O 77439235 LJESZTXJWIZORO-VXGBXAGGSA-N 286.734 0.861 0 50 CCAA CSC[C@@H](C)C(=O)N1CC2(CN(C)C(=O)O2)C1 496108951 UZQZHBKLVLQWKL-MRVPVSSYSA-N 258.343 0.649 0 50 CCAA CN(Cc1noc2c1CCCC2)C(=O)C[C@@H]1COCCN1 72165414 WGFLSMLDJLBPCG-LLVKDONJSA-N 293.367 0.890 0 50 CCAA Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cnn(C)n1 368130427 BVHIUYMHRSFLMT-GFCCVEGCSA-N 276.344 0.729 0 50 CCAA O=C(CCn1ccccc1=O)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 72166057 GPNOLEMUWBQDKH-LVEBTZEWSA-N 288.347 0.874 0 50 CCAA Cn1cc([C@@]2(C)CN(C(=O)[C@@H]3CCCN3)CCO2)cn1 237709983 GVMAGHCMLGPOOC-GXTWGEPZSA-N 278.356 0.246 0 50 CCAA Cc1occc1C(=O)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 136573752 IXLCLBNAMNDOBU-GWOFURMSSA-N 290.275 0.395 0 50 CCAA CN(C)CCCn1ccc2c(cnc3ccnn32)c1=O 40387516 ALXJJJXUWDPVGI-UHFFFAOYSA-N 271.324 0.996 0 50 CCAA NC(=O)NCC(=O)NC[C@@H]1COc2ccccc2C1 41997491 NXSZSBAJVNQAEQ-SECBINFHSA-N 263.297 0.022 0 50 CCAA C[C@H](C(=O)N1CCN(c2nc[nH]n2)CC1)N1CCCCC1 426407714 WQBIFJDEXMKHPU-GFCCVEGCSA-N 292.387 0.328 0 50 CCAA C[C@H](C(=O)NCCCOc1cccnc1)N(C)C 426395131 GCWCATICONWUEC-LLVKDONJSA-N 251.330 0.917 0 50 CCAA Cc1[nH]nc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1Cl 426635204 AWRGHTSITPGYMY-ZETCQYMHSA-N 284.703 0.648 0 50 CCAA O=c1onc(-c2cnccn2)n1CC1CCOCC1 331991839 UPXNOYFJTXWDMT-UHFFFAOYSA-N 262.269 0.720 0 50 CCAA CCN1CCO[C@H](C(=O)NCc2ccc(CO)c(F)c2)C1 178316697 XSDHGFZFIPHQPR-AWEZNQCLSA-N 296.342 0.655 0 50 CCAA O=C(CCn1ccnc1)NCC1(CN2CCOCC2)CC1 426380273 AYFGGVNQZKJZSW-UHFFFAOYSA-N 292.383 0.502 0 50 CCAA CCOCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 330458108 HXQRJPIWVAZFJP-SNVBAGLBSA-N 256.346 0.786 0 50 CCAA O=C(c1cn[nH]c1)N1CCC(O)(c2ccccn2)CC1 244708309 KRJZKWZJIIZXKM-UHFFFAOYSA-N 272.308 0.929 0 50 CCAA COc1ccnc(CN(CCO)Cc2nccn2C)c1 244716258 LLVUYNCXRUTDMK-UHFFFAOYSA-N 276.340 0.818 0 50 CCAA Cc1c([C@@H](C)NC(=O)CCN2CCN(C)CC2)cnn1C 244788018 QHVHILQAGZCGOJ-GFCCVEGCSA-N 293.415 0.543 0 50 CCAA CN(C[C@H](O)C(F)(F)F)S(=O)(=O)C[C@@H]1CCCO1 182512639 LOWPCGFDEGECEQ-YUMQZZPRSA-N 291.291 0.350 0 50 CCAA Cc1cccnc1[C@H](C)NS(=O)(=O)N1CCN(C)CC1 534655154 VWJXWTFWRMMTRV-LBPRGKRZSA-N 298.412 0.533 0 50 CCAA C[C@@H](CN1CCCC1)C(=O)N1CCCNC(=O)C1 828308671 CPYHEKWQTPDUCS-NSHDSACASA-N 253.346 0.067 0 50 CCAA C=CC(=O)N(C)CC(=O)NC1(C(N)=O)CCC(C)(C)CC1 860462051 SNIWPQJJRHFYPG-UHFFFAOYSA-N 295.383 0.571 0 50 CCAA CCc1cc(CNC(=O)N2C[C@H](N)C3(CCC3)C2)n[nH]1 1553460290 ZWCOQMMNUFICCG-LBPRGKRZSA-N 277.372 0.995 0 50 CCAA N[C@H](c1ccnn1C1CCC1)C1(O)CCNCC1 958528703 ZPTFAEBURYXJBV-GFCCVEGCSA-N 250.346 0.722 0 50 CCAA Cc1cc(C(=O)N[C@@H](C(=O)N(C)C)C(C)C)nc(C)n1 952973381 ITGXFLAZQWUNNQ-GFCCVEGCSA-N 278.356 0.936 0 50 CCAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@H]1O 71873568 YKDLEHPCPKSCPK-VXGBXAGGSA-N 263.293 0.569 0 50 CCAA in-vitro CCCCS(=O)(=O)N1CC[C@H](C(=O)NCC)C1 952968371 GPBOQIAEVIXPOT-JTQLQIEISA-N 262.375 0.574 0 50 CCAA O=C(NCCc1nnc2n1CCCC2)c1ncccc1O 166245260 VIHIUSRBXCUAFS-UHFFFAOYSA-N 287.323 0.688 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CN1CCSCC(C)C 170599695 WURILYRJAJDHDS-GHMZBOCLSA-N 261.387 0.984 0 50 CCAA CO[C@@H](C)CS(=O)(=O)N(C)CCn1cccn1 170620331 PZARSUYABQPXJD-JTQLQIEISA-N 261.347 0.180 0 50 CCAA C[C@@H]1NCC[C@@H]1C(=O)NC[C@H](n1cncn1)C(F)(F)F 638887732 WCBAYTQCQPTJHB-CIUDSAMLSA-N 291.277 0.496 0 50 CCAA O=C(C[C@H]1CCNC1)N1CCN(CC2CCOCC2)CC1 190158899 LTVRWXGWUZKOIH-OAHLLOKOSA-N 295.427 0.557 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cccc(C)n1 643822065 KLDWJXHZYYRRRW-CQSZACIVSA-N 263.341 0.856 0 50 CCAA CC[C@@H]1C(=O)NCCN1Cc1cnc(Cl)n1C 585091345 SKHVXEYKJHSCLS-SECBINFHSA-N 256.737 0.784 0 50 CCAA COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)O)C2)cn1 570805564 LEQJMTATUPBLRT-UFBFGSQYSA-N 298.320 0.185 0 50 CCAA CC[C@H]1[C@H](CO)CCN1C(=O)c1ccc(C(=O)O)n1C 1605152335 UCKZYUXPASBIMF-UWVGGRQHSA-N 280.324 0.956 0 50 CCAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2cnn[nH]2)C1 1506430277 AJGPXZCDFLPBOS-SNVBAGLBSA-N 285.307 0.935 0 50 CCAA CN(C)C[C@H]1COCCN(c2ccc(C(=O)O)nn2)C1 1506418741 IUNREPNRJSZILU-SNVBAGLBSA-N 280.328 0.189 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccc(F)c(O)c1 219276909 KOVUYDUQXBETHY-SECBINFHSA-N 283.255 0.847 0 50 CCAA O=C(O)c1cccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)c1 1704312088 ZBOQJGRLFNIKMW-OLZOCXBDSA-N 290.319 0.332 0 50 CCAA CNC(=O)C[C@H]1CCN(c2ncc(C)c(N(C)C)n2)C1 1704304987 NYZDTVNXJIFJEH-LLVKDONJSA-N 277.372 0.813 0 50 CCAA Cc1ccc(CN2CC[C@@]3(CNC(=O)CO3)C2)nc1 1775984289 NCFZVFTVJIDZMT-CQSZACIVSA-N 261.325 0.481 0 50 CCAA C[C@H](C(=O)O)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 5044456 WKFBUPBTMUZFDS-DTLFHODZSA-N 257.673 0.977 0 50 CCAA CC[C@]12COC(=O)N1CCN(C(=O)c1cnc(C)nc1)C2 1857678485 HOKDBSGGODZYQX-AWEZNQCLSA-N 290.323 0.842 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(c1cnc3ccccc3n1)C2 1875246708 KHEWERAIXBNIBY-MNOVXSKESA-N 284.319 0.581 0 50 CCAA O=S(=O)(NCCO)c1ccc(Br)cc1 4369066 SYFKBNOLTPSXPQ-UHFFFAOYSA-N 280.143 0.720 0 50 CCAA in-vitro OC1=NCCN1CCN1CCCN(c2cccnn2)CC1 328681950 VIHGBHGPVGZPMF-UHFFFAOYSA-N 290.371 0.218 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cn(C(C)(C)C)nn1 643764402 WXRBCWQZKQTMMJ-CQSZACIVSA-N 295.387 0.499 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1ccc(CO)cc1 643823688 YJBDZZIYKPPPBP-HNNXBMFYSA-N 278.352 0.645 0 50 CCAA Cc1ncc(NC(=O)CN2CCCC[C@@H](O)C2=O)cn1 644347113 BLJXNVLEHBINEA-LLVKDONJSA-N 278.312 0.097 0 50 CCAA O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)O 238833281 ALUJUYLZWNYHEC-LPEHRKFASA-N 289.353 0.181 0 50 CCAA in-vitro CCCN(C(=O)c1cnccn1)[C@H]1CC(=O)N(C)C1=O 253393003 QZEZTCHGNDKIAS-JTQLQIEISA-N 276.296 0.086 0 50 CCAA CCn1nc(C)c(CN2CCC[C@]2(COC)C(=O)NC)n1 818192833 ZKZFOSRGBWRZLL-AWEZNQCLSA-N 295.387 0.333 0 50 CCAA CSc1ncc(CN2CC[C@H](CO)[C@@H](O)C2)cn1 1138701936 STAMBLSQVIDECA-MNOVXSKESA-N 269.370 0.374 0 50 CCAA CC(C)(C)OC(=O)N1CC(N2C(=O)C=CC2=O)C1 1857777656 VGFPTSFYAMRUEH-UHFFFAOYSA-N 252.270 0.531 0 50 CCAA CCCC[C@@H](NC(=O)c1c(CO)noc1C)C(=O)O 864097290 OPNRMKJYGDKWBV-MRVPVSSYSA-N 270.285 0.849 0 50 CCAA COC(=O)c1cncc(CN=c2ncc(F)c[nH]2)c1 1875316901 HSYJMVTYHXTJCK-UHFFFAOYSA-N 262.244 0.831 0 50 CCAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ncccn1 1875397716 LGFIJYAHVAKPNC-QJPTWQEYSA-N 287.323 0.243 0 50 CCAA CCN1CCCC[C@@H]1C(=O)N1CC(c2cc(CO)on2)C1 886086425 UPFOTPCELPYGTB-CQSZACIVSA-N 293.367 0.967 0 50 CCAA C[C@H]1CCCN(C(=O)Cc2cnn(C)c2)[C@H]1CN 156616890 PHPBHIHDZKUSKR-JQWIXIFHSA-N 250.346 0.548 0 50 CCAA COc1cc(-c2nnn(CC(=O)O)n2)cc(OC)c1OC 611320 WGHINWVEQFYYOY-UHFFFAOYSA-N 294.267 0.451 0 50 CCAA CN1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 19589967 MZUGQZOSAPNDII-ZDUSSCGKSA-N 291.326 0.705 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CCCCc2cnn[nH]2)CC12CC2 2325762992 VWFIHKGXUFCPJZ-NSHDSACASA-N 292.339 0.841 0 50 CCAA NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)O 1529869 JFLIEFSWGNOPJJ-JTQLQIEISA-N 264.281 0.064 0 50 CCAA endogenous,investigational O=C1CCC(=O)N1CCS(=O)(=O)Oc1ccccc1 1786824 YUFSQKYFNXBHSF-UHFFFAOYSA-N 283.305 0.544 0 50 CCAA C[C@@H](O)CNC(=O)C(=O)NCCc1ccc(Cl)cc1 2906452 CUYOPWZNJNVFTH-SECBINFHSA-N 284.743 0.496 0 50 CCAA O=c1c(CN2CC[C@H](O)C2)ccc2n1C[C@@H]1CNC[C@H]2C1 2356166744 LWNUPYZTDJQGHS-YUTCNCBUSA-N 289.379 0.122 0 50 CCAA O=C(Nc1ccc2c(c1)C(=O)NC2=O)Nc1cnc[nH]1 225552478 QEAPLRCCBDEZEK-UHFFFAOYSA-N 271.236 0.937 0 50 CCAA CN(C)CCCN1CCN(CCCN(C)C)CC1 22938106 XHBDHILYUGSURT-UHFFFAOYSA-N 256.438 0.507 0 50 CCAA CC(C)CN1C[C@@H](C(=O)NC2(C(N)=O)CCCC2)CC1=O 65454500 DDKKLDKOYUPDRI-NSHDSACASA-N 295.383 0.405 0 50 CCAA CCOC(=O)CNC(=O)[C@H](CO)Cc1ccccc1 114661781 VDDHFOBXAAWISX-LBPRGKRZSA-N 265.309 0.517 0 50 CCAA CN(C)S(=O)(=O)N1CCC[C@@](CO)(c2ccccc2)C1 252499211 RXDYHGARMBVVGI-CQSZACIVSA-N 298.408 0.819 0 50 CCAA CC(C)c1nccc(CN2CCS(=O)(=O)CC2)n1 216254819 BHPMVTSWGLMSCV-UHFFFAOYSA-N 269.370 0.830 0 50 CCAA CCN(CC)CC(=O)N1CCN(CC)[C@@H](c2ncc[nH]2)C1 328621895 IAZJRSHWACVVQG-CYBMUJFWSA-N 293.415 0.957 0 50 CCAA COc1c(F)cccc1C(=O)N1CC[C@@](O)(CN(C)C)C1 72128385 RMDKFBDNVKTQBL-OAHLLOKOSA-N 296.342 0.973 0 50 CCAA Cc1nc(CN2CCN(CCn3cncn3)CC2)oc1C 328615828 RYYBYFNRSQHPOB-UHFFFAOYSA-N 290.371 0.701 0 50 CCAA O=C(c1cn2c(n1)CCCC2)N1CCN2C(O)=NC[C@@H]2C1 328715239 OKAUKKTWXOKZBC-SNVBAGLBSA-N 289.339 0.273 0 50 CCAA CC1(C)COCCN1C(=O)C[C@@H]1CCCS(=O)(=O)C1 328793443 CDRZTWKPLVVIHP-NSHDSACASA-N 289.397 0.839 0 50 CCAA O=C(NCCO)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 39447492 SWZSPMGSPLQTPB-GFCCVEGCSA-N 294.326 0.673 0 50 CCAA COC[C@@H](NC(=O)CN1CCCC1)c1ccccn1 219179527 CRPHNJPXJXENGS-CYBMUJFWSA-N 263.341 0.981 0 50 CCAA COc1cccc([C@@H](O)C(=O)N2CC(O)(C3CC3)C2)c1 365248689 WGTXSTLLJMHLTA-CYBMUJFWSA-N 277.320 0.712 0 50 CCAA CS(=O)(=O)NCCN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 337317359 YVOMWKMSBFWPOJ-UPJWGTAASA-N 290.429 0.551 0 50 CCAA CC[C@@H](C(=N)O)N1CCN([C@@H](CC)C(=N)O)CC(O)C1 331859542 KBGWGGXLMRVYNK-QWRGUYRKSA-N 286.376 0.593 0 50 CCAA O=C(Cn1cnnn1)N1CC[C@@H](c2ccc(F)cc2)C1 77358767 ONDDHJBURRVUIF-LLVKDONJSA-N 275.287 0.828 0 50 CCAA CCN(C(=O)C(=O)c1cccn1C)[C@H]1CCS(=O)(=O)C1 219290385 UGLOBPQXOKDMIU-JTQLQIEISA-N 298.364 0.243 0 50 CCAA CN1C(=O)CC[C@@H]1C(=O)N[C@H]1COc2ccccc2[C@H]1O 378143907 FJKLSMVAWMZOJP-MISXGVKJSA-N 290.319 0.218 0 50 CCAA CN(C(=O)CCc1ccc2c(c1)OCO2)[C@H]1COC[C@@H]1O 219514458 XVEKEIPKEUBVCB-RYUDHWBXSA-N 293.319 0.566 0 50 CCAA Cc1c[nH]cc(C(=O)NCC2=CCN(C)CC2)c1=O 334032260 GRUVLWIFHQIWGB-UHFFFAOYSA-N 261.325 0.675 0 50 CCAA COC[C@@H](O)CN1CCN(Cc2cccc(F)c2)C(=O)C1 172990316 WDSXMNDTWZXFDR-AWEZNQCLSA-N 296.342 0.477 0 50 CCAA CCc1nc(CN2C[C@H](OC)C[C@H]2c2ncn[nH]2)no1 284705880 UNXAYYRQIIKUIP-BDAKNGLRSA-N 278.316 0.712 0 50 CCAA CC(C)CN(CC(=O)O)C(=O)CCc1ccnn1C 190719893 XYKRDYSDDLSJDD-UHFFFAOYSA-N 267.329 0.922 0 50 CCAA COc1ccnc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 134010608 YWDQXHNRIIWDOJ-SECBINFHSA-N 263.297 0.441 0 50 CCAA CCc1nccn1CCC(=O)N[C@H](CC)C(=O)O 426596451 HGGVTOGPCGIRFE-SECBINFHSA-N 253.302 0.815 0 50 CCAA C[C@H]1CCO[C@@H]1C(=O)NCCc1nnc(S)n1C 160179421 UQXSOZLMOYTDMF-CBAPKCEASA-N 270.358 0.188 0 50 CCAA CCC[C@@H](NC(=O)CN(C)C(N)=O)c1nccn1C 426574838 HENYLKYVWIWVTP-SECBINFHSA-N 267.333 0.388 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ncccc1O 223069906 FZDPVUHJJDZVFK-JQEKQURRSA-N 278.308 0.567 0 50 CCAA Cc1ncn(CC(=O)NC[C@@H]2COCCO2)c1C 220562616 JBIXPPDGHZKCMY-LLVKDONJSA-N 253.302 0.032 0 50 CCAA Cc1nnc(N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)s1 92107420 UQVPMGZEPVXUFN-MRVPVSSYSA-N 296.352 0.406 0 50 CCAA NC(=O)N1CCC[C@H](c2nc(CN3CCOCC3)no2)C1 95363565 UKPLTMONVGNWRM-JTQLQIEISA-N 295.343 0.160 0 50 CCAA Cc1cccc([C@@H](C(=O)NCC(=O)NC2CC2)N(C)C)c1 91650540 DOTSFRUSQIMULI-HNNXBMFYSA-N 289.379 0.993 0 50 CCAA COC(=O)CCN1CCN(C(=O)c2cccnc2)[C@@H](C)C1 180865834 RTLFCSLWWPPEEE-LBPRGKRZSA-N 291.351 0.791 0 50 CCAA O=C1CN(CC2OCCO2)CCN1Cc1cccc(F)c1 182349342 QASNRDRRPXAOGA-UHFFFAOYSA-N 294.326 0.843 0 50 CCAA CNC(=O)CNC(=O)c1cc(N(C)C)nc2ccccc12 182701498 PYYDSZGDFZOLAY-UHFFFAOYSA-N 286.335 0.777 0 50 CCAA O=C(NC[C@H](O)c1ccccc1Cl)[C@H]1C[C@H](O)CN1 299747976 FQXKUAKRMBIXFE-AXTRIDKLSA-N 284.743 0.212 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1csc(N)n1 534675264 PILYETDHSMNPBN-XPUUQOCRSA-N 257.315 0.259 0 50 CCAA CC(C)(C)OC(=O)NCCc1cn(CC(=O)O)nn1 725343677 GHWQIOCPMUOLHL-UHFFFAOYSA-N 270.289 0.430 0 50 CCAA COc1ccc(Cn2nc(C)nc2CCn2cnnn2)cc1 824674436 FDXBZVQVXXMIGA-UHFFFAOYSA-N 299.338 0.873 0 50 CCAA C[C@H]1Cc2cc(NC(=O)CCNS(C)(=O)=O)ccc2O1 828059989 PQCUPOYTCVDXAC-VIFPVBQESA-N 298.364 0.888 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)c1cnc(C)cn1 670470840 PZRQGQBBKCWAQI-JTQLQIEISA-N 290.327 0.514 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)NCc1cncc2c1CCC2 1875400917 CIFVOQXOTINUDI-BXUZGUMPSA-N 275.352 0.157 0 50 CCAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H]2CCC(=O)NC2)C1 240465827 GAOLJABOEKFXTO-MXWKQRLJSA-N 289.401 0.077 0 50 CCAA COc1ccc(NC(=O)N[C@@H]2CNCC[C@@H]2O)cc1OC 1565517015 DJSAXPRYLZVRPZ-MNOVXSKESA-N 295.339 0.548 0 50 CCAA CSCCC(=O)N[C@H]1CCOC[C@@H]1OCCN(C)C 1565513228 UVWUJCWXHFCCIQ-RYUDHWBXSA-N 290.429 0.591 0 50 CCAA Cc1[nH]nc2ncc(C(=O)N3CC[C@H](c4nn[nH]n4)C3)cc12 1588217253 DQHKVLHPQOIYLO-QMMMGPOBSA-N 298.310 0.409 0 50 CCAA O=C(CCc1ccncc1)N=c1ccn([C@H]2CCNC2)[nH]1 548672885 HGXIAAZQWOATIN-ZDUSSCGKSA-N 285.351 0.806 0 50 CCAA C[C@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)CCN1 572641098 PPLNTEAPNZPDBV-YUMQZZPRSA-N 251.286 0.249 0 50 CCAA O=C(NC1Cc2ccccc2C1)[C@]12CNC[C@H]1CCOC2 1615615520 REJGEIHWNGXXGC-PBHICJAKSA-N 286.375 0.896 0 50 CCAA NC(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OC1CCC1 1616038549 HPAAPQSIOFLVOZ-CHWSQXEVSA-N 292.335 0.723 0 50 CCAA CCOC1CC(CN2CCC[C@@](O)(CC(N)=O)C2)C1 643808132 RRYAUPRDJQIJSN-ORHYLEIMSA-N 270.373 0.504 0 50 CCAA CC1(C)CC(N2C[C@@H]3CNC[C@]3(CO)C2)CC(C)(C)N1 1772812683 OKFHBGZOLLTKPY-BLLLJJGKSA-N 281.444 0.809 0 50 CCAA NC(=O)C1(CNc2ncc(Cl)cn2)CCOCC1 267098632 OHBJUGKSROYWRO-UHFFFAOYSA-N 270.720 0.824 0 50 CCAA CCCc1cc(CNC(=O)C2=NN(C)C(=O)CC2)on1 19145021 VMZUWHGZBXALOD-UHFFFAOYSA-N 278.312 0.852 0 50 CCAA C[C@H](N)C(=O)OB(c1ccccc1)c1ccccc1 169744516 BKYIQCXZZVWSLF-LBPRGKRZSA-N 253.110 0.683 0 50 CCAA COC(=O)[C@@H]1COCCN(Cc2cccc3ccnn23)C1 1857676696 WOFIPZLYZDKJFJ-LBPRGKRZSA-N 289.335 0.956 0 50 CCAA CN(Cc1ccccc1F)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1 1857730644 TVIPEGWVADJWSP-DRZSPHRISA-N 266.316 0.882 0 50 CCAA CCn1[nH]cnc1=NC(=O)Cn1cnc2ccccc2c1=O 1875239789 BXENGABCWNMJKA-UHFFFAOYSA-N 298.306 0.069 0 50 CCAA CCn1nnc(=NC(=O)c2cc3nc(C)cc(C)n3n2)[nH]1 1875246776 MLWUCTBSCQUPNF-UHFFFAOYSA-N 286.299 0.027 0 50 CCAA C[C@@H]1CCC[C@@H](OCC(=O)N2CCO[C@H](C(=O)O)C2)C1 532256436 FHRZKDYLTSSNAH-UTUOFQBUSA-N 285.340 0.894 0 50 CCAA Cc1nn(C)cc1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 237776877 CBBYVOPVCLOPID-LLVKDONJSA-N 295.339 0.824 0 50 CCAA COC(=O)c1ccc(C(=O)NCc2nc(C)no2)n1C 339064314 FMRYCAMTRRENLP-UHFFFAOYSA-N 278.268 0.433 0 50 CCAA O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@@H]2CNC[C@@H]21 247847318 HOSGZDNEWYOBRZ-SKDRFNHKSA-N 284.319 0.357 0 50 CCAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CNC(C)C 567250796 VDESKMUVFKPPJX-AAEUAGOBSA-N 280.372 0.847 0 50 CCAA N[C@@H](CNS(=O)(=O)CC1CCNCC1)c1ccccc1 905329192 HHTATDVCECUOPB-AWEZNQCLSA-N 297.424 0.605 0 50 CCAA NC1=CCN(C(=O)c2ccc3c(c2)nc(O)n3C2CC2)N1 829853576 UOEQQZFOOYCNBD-UHFFFAOYSA-N 285.307 0.837 0 50 CCAA Cn1nnc2c1C[C@H](NC(=O)Nc1cccnc1)CC2 864244842 QPITZFYZIAYBSH-SECBINFHSA-N 272.312 0.889 0 50 CCAA COc1ccc([C@H]2NC(=O)[C@H](C(C)C)NC2=O)cc1O 1875278916 WVAJOFWYBGZUTJ-NWDGAFQWSA-N 278.308 0.713 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1875310005 YMESYZHYCWFSTO-HAVMIZHYSA-N 281.308 0.397 0 50 CCAA O=C(O)[C@]1(n2ncc(CO)n2)CCOC2(CCC2)C1 1875305028 CPOUVJILKMJHTG-LBPRGKRZSA-N 267.285 0.283 0 50 CCAA Nc1ccnc(CN2CCC[C@H]2CN2CCOCC2)n1 135104010 VJRKGXIIGUBWRQ-LBPRGKRZSA-N 277.372 0.355 0 50 CCAA CCNC(=O)[C@H](C)NC(=O)c1cnc(NCC)nc1 91254802 WVOJFHIGVFSTDZ-QMMMGPOBSA-N 265.317 0.163 0 50 CCAA COc1cc(C(=O)N2CC[C@@H](O)C2(C)C)nn1C 336796656 UYGCKNAJWJEMNG-SECBINFHSA-N 253.302 0.414 0 50 CCAA COC(=O)[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 336961677 CHNWFSRTDWLNEC-ZZLGJBLRSA-N 265.309 0.431 0 50 CCAA O=c1c2cnc3ncnn3c2ccn1C[C@H]1CCCO1 9048630 WUHHYVWKNBFWCM-SECBINFHSA-N 271.280 0.618 0 50 CCAA COC1(C(=O)NC[C@@H]2COc3ccccc32)CC(N)C1 2325801655 QWVOWBOZJSNDCY-RWWNRMGGSA-N 276.336 0.785 0 50 CCAA CNC(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1463947830 MPNBGVKXWVDOBZ-UHFFFAOYSA-N 270.292 0.574 0 50 CCAA Cn1nnnc1SCCNCc1ccncc1 2181794 HRUOSIRSXXCCBE-UHFFFAOYSA-N 250.331 0.487 0 50 CCAA Cn1nnnc1[C@H]1CN(c2ccnc3[nH]ncc23)CCO1 2356151631 QNDPZUOHIXRHCD-SNVBAGLBSA-N 286.299 0.059 0 50 CCAA CCC[C@H]1C(=O)NCCN1C(=O)c1cc(C)nn1CC 225530049 UWUAFXYOQHHSBL-NSHDSACASA-N 278.356 0.952 0 50 CCAA COc1ccc(F)cc1[C@H](C(=O)O)N1CCN(C)C(=O)C1 55281734 ZXFSCMPGSZYQJG-CYBMUJFWSA-N 296.298 0.734 0 50 CCAA CN1CCO[C@H](CN(CC(=N)O)C(=O)Cc2ccoc2)C1 328624489 CJYAUXIVEPJCEC-LBPRGKRZSA-N 295.339 0.517 0 50 CCAA C[C@H]1CN([C@H](C)C(=O)NC(=O)NC2CC2)CCO1 229470039 DBHCSKNRNVKDFY-DTWKUNHWSA-N 255.318 0.084 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)C1 229756211 MZPJJXOXPYVMSQ-GHMZBOCLSA-N 289.401 0.160 0 50 CCAA COc1cc(NC[C@H]2CC(=O)N(C3CC3)C2)nc(N)n1 32597716 AQXNYZYJYVEFKS-MRVPVSSYSA-N 277.328 0.490 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2cc3sccc3[nH]2)CCN1 71416218 UFAZCTIEJRSJSO-SECBINFHSA-N 279.321 0.728 0 50 CCAA O=S(=O)([C@H]1CCOC1)N1CCC[C@H](n2cncn2)C1 329252664 VNYWONCXADUOAK-QWRGUYRKSA-N 286.357 0.034 0 50 CCAA CC(=O)c1cccc(C(=O)NC[C@@H]2CN(C)C(=O)CO2)c1 219646025 ZJJSVZPUKRKYRX-CYBMUJFWSA-N 290.319 0.476 0 50 CCAA CS(=O)(=O)NCC1CCN(C[C@H]2CCCO2)CC1 253417524 YAFAWIILOCJXQM-GFCCVEGCSA-N 276.402 0.427 0 50 CCAA CCc1nc(N)sc1C(=O)NCCSc1cn[nH]n1 215375843 QEGKBRQGRMKPPC-UHFFFAOYSA-N 298.397 0.928 0 50 CCAA O=C(NC[C@@H](O)c1ccccc1F)[C@H]1CCNC1 151454638 BPLHERKBHSWAKM-JOYOIKCWSA-N 252.289 0.585 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(N(C)CCO)CC1 358593048 OIPQYVCFRXKDTM-JSGCOSHPSA-N 284.400 0.717 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ncncc2Cl)N(C)C1 330547328 CUZWIUKKCWVLQZ-UWVGGRQHSA-N 298.774 0.921 0 50 CCAA CC(=O)N[C@@H]1CCN(Cc2cnc(N(C)C)nc2)C1 216456310 OBENJBTWMHSJAV-GFCCVEGCSA-N 263.345 0.253 0 50 CCAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1cccs1 36708409 PDBVQLFZFASROM-UHFFFAOYSA-N 279.321 0.292 0 50 CCAA N[C@H]1CCCN(C(=O)c2cccc(-n3cncn3)c2)C1 158494964 SRUYGVRWWVTSBI-LBPRGKRZSA-N 271.324 0.831 0 50 CCAA CN(Cc1cccnc1)C(=O)[C@H](N)C1CCOCC1 262048091 QRJALZBOLBGLFN-CYBMUJFWSA-N 263.341 0.794 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1n[nH]c2ccccc2c1=O 238088286 IHCZUTYGVMZWCX-SNVBAGLBSA-N 287.275 0.612 0 50 CCAA CN1C(=O)N[C@@H]2CN(Cc3cccc4nccn34)CC[C@@H]21 284772388 JVCWUKOEZNVUJJ-OLZOCXBDSA-N 285.351 0.932 0 50 CCAA CCC[C@H](O)CNC(=O)CCn1cnc2c(N)ncnc21 612425357 YZKNQIZDXQTLGO-VIFPVBQESA-N 292.343 0.076 0 50 CCAA Cn1nnnc1SCCNC(=O)[C@H]1CC=CCC1 223276323 BIQBYBQVJRXXFD-VIFPVBQESA-N 267.358 0.775 0 50 CCAA Cn1nc(CNC(=O)CO)c2c(Cl)cccc21 222961065 AIFUWXJUYMBYEG-UHFFFAOYSA-N 253.689 0.835 0 50 CCAA CC(=O)N[C@@H]1[C@@H](NC(=O)Cc2cccnc2)[C@H]2CCO[C@H]21 220710521 UHSJMMHQCPSKFF-FAAHXZRKSA-N 289.335 0.032 0 50 CCAA CC1(C)[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)[C@H]1C(=O)O 223479859 RHLBCWMZENCYAI-HLTSFMKQSA-N 268.313 0.067 0 50 CCAA N[C@@H]1CCN(C(=O)COc2ccc(F)cc2F)C1 178349688 BRGINCOWWFABKB-SECBINFHSA-N 256.252 0.903 0 50 CCAA Cc1nnc(CN(C)C(=O)NCCN2CCCOC2=O)o1 426477436 RXWBQEGRNVQCMY-UHFFFAOYSA-N 297.315 0.362 0 50 CCAA C[C@@H](NC(=O)[C@H](C(=O)O)C(C)(C)C)c1nnc[nH]1 230436751 PEYIJHSHWMPVOI-RNFRBKRXSA-N 254.290 0.729 0 50 CCAA Cc1ccc([C@@H](C)NC(=O)CN(C)CCO)cn1 426423185 AAGKWNOZORSNLM-LLVKDONJSA-N 251.330 0.491 0 50 CCAA Cc1noc([C@H]2CCCCN2C(=O)CN2CCOC2=O)n1 95517967 MYBXDJMQCWNZSR-SNVBAGLBSA-N 294.311 0.884 0 50 CCAA Cc1cc(C(=O)NCCN2CCOC2=O)c(=O)[nH]c1C 91536981 IGDADBYFOSUAIH-UHFFFAOYSA-N 279.296 0.174 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 242649297 SADYJQNJLLWXCC-YXMPFFBPSA-N 286.287 0.448 0 50 CCAA C[C@@H]1C[C@H](c2cccnc2)N(c2nc(=N)[nH]c(=N)[nH]2)C1 624100496 VPDJHPXOSSSLOB-PSASIEDQSA-N 271.328 0.679 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[C@@](C)(C(=O)O)C1 299746304 WOCFWBJJTQVKQA-MISXGVKJSA-N 285.340 0.894 0 50 CCAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CC[C@@H](C(=O)O)C1 299741384 FMQVTVJIMDQPIB-QJPTWQEYSA-N 285.340 0.894 0 50 CCAA Cc1nc(N(C)C)nc(Sc2nnc(CN)n2C)c1C 534676750 QQCWRLNSEZWJRO-UHFFFAOYSA-N 293.400 0.898 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)Cc1n[nH]c2ccccc12 534656606 LIRLZVBZAGHYDS-STQMWFEESA-N 274.324 0.208 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C)cc2)CN1 299794035 JMPBAPQJBNCNAM-RYUDHWBXSA-N 262.309 0.628 0 50 CCAA Cn1nccc1CN1C[C@H](O)[C@@H](N2CCCCC2)C1 828896813 VRWMOVGCHPLFCC-KBPBESRZSA-N 264.373 0.451 0 50 CCAA Cc1[nH]nc(CCC(=O)NCCc2cnn[nH]2)c1C 584900236 XBYGXQKYDJOJTM-UHFFFAOYSA-N 262.317 0.436 0 50 CCAA Cn1ccnc1CCN1C[C@H](O)[C@@H](N2CCCCC2)C1 670472629 MUBYNOQTPNJTRD-KBPBESRZSA-N 278.400 0.494 0 50 CCAA CCN1C[C@H](CN(C)c2ncccc2C(N)=O)CC1=O 670451083 GBEMVELPQAEXME-JTQLQIEISA-N 276.340 0.485 0 50 CCAA CS(=O)(=O)Nc1ncc(Br)cn1 65337515 MRNXHECJHFQUDD-UHFFFAOYSA-N 252.093 0.611 0 50 CCAA in-vitro CN(C)CC(C)(C)NC(=O)[C@H]1CCCCC(=O)N1 408520599 NMTFTLXRLYINOO-SNVBAGLBSA-N 255.362 0.502 0 50 CCAA C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccnn2C)CCN1C 274137242 ITLRRKMYWKPVGC-MNOVXSKESA-N 286.401 0.523 0 50 CCAA Cn1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)n1 583869975 REDNHPRGJVNXHN-QMMMGPOBSA-N 273.314 0.048 0 50 CCAA CC[C@H](CO)Sc1nnnn1C[C@H]1CCCO1 585138699 IMXBNDRGKDOGFV-RKDXNWHRSA-N 258.347 0.715 0 50 CCAA Cc1cc(C)nc(N[C@@H]2C[C@@H](C(=O)O)C[C@H]2O)n1 662895659 FLKXUIBCAZBUSO-OPRDCNLKSA-N 251.286 0.729 0 50 CCAA Cn1cnc([C@@H]2CN(c3ncccc3F)C[C@H]2N)c1 1615059128 WAOOCKQVHDSETA-MWLCHTKSSA-N 261.304 0.885 0 50 CCAA CO[C@@H](C)c1nc(C)c(C(=O)N2CC(O)C2)s1 305147774 SIWMSZOCYXAGAU-ZETCQYMHSA-N 256.327 0.976 0 50 CCAA CNC(=O)c1cccnc1N1CC[C@H](C(=O)NC)C1 1704338475 BWDXCWLAKVOFFA-VIFPVBQESA-N 262.313 0.014 0 50 CCAA CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)C(=O)O 12381024 QJHYCOMQYFAEKW-UFBFGSQYSA-N 296.298 0.462 0 50 CCAA CN1CCNC(=O)[C@@H]1CC(=O)N1CCCCCCC1 15078442 RHBNHXLPAUAZJY-LBPRGKRZSA-N 267.373 0.599 0 50 CCAA CCc1nc(CN2CCN(CC(=O)NC(C)C)CC2)n[nH]1 157551139 CORQHIHZFACSDM-UHFFFAOYSA-N 294.403 0.009 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[C@H]1O 1857717227 ZAGJKLOUCWDZMI-NJZAAPMLSA-N 287.363 0.925 0 50 CCAA Cc1[nH]nc(CCC(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)c1C 1857671906 WNZAQUYVGALKJG-CMPLNLGQSA-N 276.340 0.306 0 50 CCAA NS(=O)(=O)c1cc(C(=O)O)c(F)cc1Cl 2507100 FDPTZONHYRXKLK-UHFFFAOYSA-N 253.638 0.825 0 50 CCAA in-vitro C[C@H](NC(=O)[C@H]1COCCO1)c1ncc(C(=O)O)s1 621609192 HPGDMURPOFJZGC-NKWVEPMBSA-N 286.309 0.434 0 50 CCAA C[C@@H](C(=O)N1CC[C@@H]2[C@H](C(=O)O)[C@@H]2C1)n1cccn1 721252693 WFGZODBGAHAKMO-MMWGEVLESA-N 263.297 0.623 0 50 CCAA O=C(CNC[C@H]1CCCO1)N(C[C@H]1CCCN1)C1CC1 328634705 MYBZYJFHRMQNGS-TZMCWYRMSA-N 281.400 0.498 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC[C@]1(C)C(=O)OC 820432666 ODXJGAKNVQZZDP-CQSZACIVSA-N 282.340 0.575 0 50 CCAA CN(Cc1ccns1)C(=O)CSc1n[nH]c(O)n1 823630056 VIMNRUZKEOJPPA-UHFFFAOYSA-N 285.354 0.718 0 50 CCAA Cc1cc(CNS(=O)(=O)CCn2cccn2)n[nH]1 866816404 BXEISBGJWLZVTJ-UHFFFAOYSA-N 269.330 0.034 0 50 CCAA CN(Cc1ccc(O)c(F)c1)C[C@@H](O)CN1CCOCC1 874435472 UVMNFJMFSDYUEQ-CYBMUJFWSA-N 298.358 0.656 0 50 CCAA CCc1ocnc1C(=O)NCc1c[nH]nc1[C@H]1CCNC1 952849577 FAIKMVLCCXTPGR-VIFPVBQESA-N 289.339 0.967 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@H]1CC(=O)N(c2ccccn2)C1 1875259365 AEZXODXNRDHQTL-QWRGUYRKSA-N 291.307 0.271 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1csc2cncn12 1875276450 KJOIEIHKMSKCOM-CYBMUJFWSA-N 294.380 0.862 0 50 CCAA Cn1cnc2c(C(=O)NCCC3CC3)[nH]nc2c1=O 1875300058 JETWKPOJLKATSF-UHFFFAOYSA-N 261.285 0.187 0 50 CCAA C=CC(=O)N1CCC(C(=O)N[C@H](CCC)C(=O)OC)CC1 1875367078 ZERWUTMZKPBXCU-GFCCVEGCSA-N 296.367 0.869 0 50 CCAA O=C1CCC2(CN(C(=O)c3cc(O)nc(C4CC4)n3)C2)N1 1875332624 BDCCPBORUNERRZ-UHFFFAOYSA-N 288.307 0.164 0 50 CCAA O=C(CCc1nc2ccccc2[nH]1)N[C@H]1COCC[C@@H]1O 1180592240 XNXVXYGDINUFMU-STQMWFEESA-N 289.335 0.762 0 50 CCAA CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)NCc1cnnn1C 899785980 MQCRUJFAVOEPSX-JOYOIKCWSA-N 266.301 0.178 0 50 CCAA CN1CCC(NCc2cn(-c3cnn(C)c3)nn2)CC1 899719273 PLAOFRYKNDXZRF-UHFFFAOYSA-N 275.360 0.185 0 50 CCAA Cn1nccc1[C@H](NC(=O)CC[C@@H]1CCOC1)C(=O)O 402530102 PLNKDSPBAQPADW-SKDRFNHKSA-N 281.312 0.479 0 50 CCAA CC(=O)N1CC(C(=O)N[C@H]2C[C@H](n3cccn3)C2)C1 2325803551 NMZYFWGZAAPOMP-HAQNSBGRSA-N 262.313 0.181 0 50 CCAA Cc1nnc2n[nH]c(NC(=O)CC3OCCO3)c2c1C 854408419 AQKXLQBZPBXVFD-UHFFFAOYSA-N 277.284 0.671 0 50 CCAA Cc1nnc2n1C[C@H](NC1[C@H]3CC[C@H]1CN(C)C3)CC2 925781793 FZZKVVZWJDLESA-RWMBFGLXSA-N 275.400 0.831 0 50 CCAA COCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 860347 HCXICEOLULTDNH-UHFFFAOYSA-N 281.264 0.845 0 50 CCAA COc1ncccc1-c1n[nH]c(N2CCOCC2)n1 2356167651 XADLNHOVVLIKCV-UHFFFAOYSA-N 261.285 0.712 0 50 CCAA CCOC(=O)[C@@H]1[C@@H]2C(=O)N(CCCOC)C[C@@]23C=C[C@H]1O3 100886186 NLUZJOIRSXXCLK-ZAZJYDDPSA-N 295.335 0.368 0 50 CCAA CCN(c1ccc(C(N)=O)cc1)S(=O)(=O)CC 65362831 ISHWVWKEMXSSQT-UHFFFAOYSA-N 256.327 0.962 0 50 CCAA CCCc1nc(CN(C)C(=O)[C@@H]2CSCN2C)no1 71730537 JRPYFACLTSTFAN-VIFPVBQESA-N 284.385 0.985 0 50 CCAA CCn1ccc(C(=O)NC[C@@](O)(CC)CCCO)cc1=O 216136645 HMMYWUBKBSYARV-OAHLLOKOSA-N 296.367 0.512 0 50 CCAA COC[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccnn1C 215814313 KZHINSDRUJMESE-NSHDSACASA-N 289.339 0.749 0 50 CCAA CN1N=C(C(=O)NC[C@H]2CCn3ccnc3C2)CCC1=O 328615583 AXNUUHZFFKRCGT-JTQLQIEISA-N 289.339 0.170 0 50 CCAA Cn1cc2ncn([C@H](c3nccn3C)C3CC3)c(=O)c2n1 72151754 BOXAEWCPGSSTIG-LBPRGKRZSA-N 284.323 0.863 0 50 CCAA O=C(NC[C@H](O)c1ccccc1F)[C@@H]1CCNC1 151454574 BPLHERKBHSWAKM-SKDRFNHKSA-N 252.289 0.585 0 50 CCAA CCN(CCn1cccn1)C(=O)CN1CCC[C@@H](O)C1 216287513 QSJDXAVKFRWPGS-CYBMUJFWSA-N 280.372 0.188 0 50 CCAA CNC(=O)Cn1cc(NC(=O)c2cc(C(C)C)no2)cn1 70803757 XSZTUSQGJQSPIJ-UHFFFAOYSA-N 291.311 0.993 0 50 CCAA C[C@@H](C(=O)N1CCNC(=O)c2ccccc21)S(C)(=O)=O 331502958 ZKJYTTHYUXCJIQ-VIFPVBQESA-N 296.348 0.196 0 50 CCAA O=C(NOC[C@@H]1CCOC1)[C@@H]1OC[C@@H]2CCC[C@@H]21 377985860 NFCNZXJGTXCCHU-NOOOWODRSA-N 255.314 0.886 0 50 CCAA O=C(CN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1)Nc1nccs1 333075747 KVORYECEILJJLR-GWOFURMSSA-N 277.349 0.967 0 50 CCAA CCOC(=O)C(=O)Nc1cccc(N(C)C)c1C(N)=O 71772926 YCKPXFVJARBEAS-UHFFFAOYSA-N 279.296 0.353 0 50 CCAA CC(=O)N1CC(NC(=O)c2ccc3c(c2)OCO3)C1 173030226 BEFVPHKDPMYVON-UHFFFAOYSA-N 262.265 0.376 0 50 CCAA CN1Cc2ccccc2C[C@H]1CNC(=O)Cn1ccnn1 426658474 REJYNHZPZCSCHU-AWEZNQCLSA-N 285.351 0.451 0 50 CCAA CCOCCCN=c1cc([C@H]2CCOC2)nc(N)[nH]1 426414653 ODMFZRDYXKQVIS-JTQLQIEISA-N 266.345 0.823 0 50 CCAA Cc1nn(C)c(C(=O)NC[C@@H]2C[C@H](F)CN2)c1Cl 426477556 LCFFOJDSOOVGEA-YUMQZZPRSA-N 274.727 0.812 0 50 CCAA Cc1ccc(C(N)=O)cc1NC(=O)N1CCOC[C@@H](O)C1 95504951 GKNRBMJBQYKVSF-NSHDSACASA-N 293.323 0.319 0 50 CCAA COC[C@@H]1CCCN1Cc1cc(=O)n2nc(C)cc2[nH]1 334159627 SSJCMYJASSOZLF-LBPRGKRZSA-N 276.340 0.942 0 50 CCAA O=C(c1ccccc1-n1cnnc1)N1C[C@@H]2CNC[C@@H]2C1 97594972 NPHRHDIJXMJZGV-TXEJJXNPSA-N 283.335 0.559 0 50 CCAA CN1CCN(C(=O)Cc2cc(F)ccc2F)[C@H](CN)C1 162396096 QXBCSACHRPLXDE-GFCCVEGCSA-N 283.322 0.609 0 50 CCAA CC(=O)N[C@@H]1CN(Cc2cc(=O)[nH]c(O)n2)C[C@H]1C(C)C 95523448 VNVZMNHORQSOKT-NWDGAFQWSA-N 294.355 0.068 0 50 CCAA Oc1cc([C@@H]2CCCN(CCn3cncn3)C2)ncn1 240662536 PLYQFYPBRLNTEI-LLVKDONJSA-N 274.328 0.653 0 50 CCAA CNC(=O)[C@@H]1CN(c2nc3ccccc3o2)CCO1 181151261 OETHDEXCFAWXCQ-NSHDSACASA-N 261.281 0.779 0 50 CCAA CC[C@@H](NC(=O)CCn1nnnc1C)[C@H]1C[C@H](O)C1 252522950 BMQMAGAYCMDCPH-GMTAPVOTSA-N 267.333 0.037 0 50 CCAA Cc1nccn1CC(=O)N1CCN(Cc2ccncc2)CC1 296873775 AGTDZNUXCOPVCU-UHFFFAOYSA-N 299.378 0.931 0 50 CCAA COCCn1cc(C(=O)OC)c2n[nH]c(=O)c-2c1 263588296 RLAGDPVMRVGUHF-UHFFFAOYSA-N 251.242 0.109 0 50 CCAA CC(=O)N1CCN(C(=O)c2ccc(O)cc2F)C[C@H](O)C1 299797059 OMPTWMPDGKGTLN-LLVKDONJSA-N 296.298 0.197 0 50 CCAA CCCCNC(=O)NCCCn1c(=O)ccn(C)c1=O 585134707 HDDYTXGHMOQVNS-UHFFFAOYSA-N 282.344 0.036 0 50 CCAA CS(=O)(=O)Nc1ccc([C@@H]2CNC[C@@H](N)C2)cc1 757216234 ZGTPKLKJOABJCW-QWRGUYRKSA-N 269.370 0.462 0 50 CCAA Cc1nc(O)nc(O)c1CC(=O)N(C)CC1(C)COC1 952972324 XECJZKUOEKYBCK-UHFFFAOYSA-N 281.312 0.234 0 50 CCAA Cc1nc(CN(C)CCN2CCOCC2)n(C)c1C 952976388 FKITULCQPYHWSP-UHFFFAOYSA-N 266.389 0.801 0 50 CCAA C[C@H]1CN(C)[C@H](C)CN1C(=O)c1cnn2ncccc12 408398686 BYQMGMJBFGDRPM-MNOVXSKESA-N 273.340 0.894 0 50 CCAA CN(C)C(=O)CN1CCC(CNC(=O)C2(C)CC2)CC1 952973705 HQBSGNHZTPHKTG-UHFFFAOYSA-N 281.400 0.703 0 50 CCAA CO[C@H](C1CC1)[C@H](C)NC(=O)[C@H]1CCCCC(=O)N1 408520590 NFZKGXGCILLDKP-NDMJEZRESA-N 268.357 0.975 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cccn2cnnc12 1565516451 WDTLDSRWNFEZHD-QWRGUYRKSA-N 276.296 0.263 0 50 CCAA CC(C)c1ccc(C(=O)N[C@H]2CCOC[C@@H]2O)c(=O)n1C 1565506903 IUHOEUMLHSRFFX-AAEUAGOBSA-N 294.351 0.388 0 50 CCAA O=C(C1CSC1)N1CCC[C@H](c2nnc(O)o2)C1 632843435 RMMBOJGUEPUDSF-ZETCQYMHSA-N 269.326 0.844 0 50 CCAA Cc1cnn([C@H]2CCN(C(=O)c3ccc4nnnn4c3)C2)c1 562320796 RFYUMFVAVYWBRI-LBPRGKRZSA-N 297.322 0.716 0 50 CCAA CC(C)Oc1ccnc(CN2CC[C@@H](S(N)(=O)=O)C2)c1 649568241 TYISQVXGASYMMK-CYBMUJFWSA-N 299.396 0.732 0 50 CCAA Cc1ncc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)c(C)n1 659175026 UANXXSWNDSSRDH-ZJUUUORDSA-N 265.269 0.065 0 50 CCAA Cn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)C1CC1 659998589 IVKRQJUCVINMMG-GXSJLCMTSA-N 285.369 0.580 0 50 CCAA COc1cc(C)nc(N[C@@H]2C[C@@H](C(=O)O)C[C@H]2O)n1 662895880 IIHUEYISTIBUJL-IWSPIJDZSA-N 267.285 0.430 0 50 CCAA OCCO[C@H]1COCC[C@@H]1NC1CSCCSC1 1615752442 XULMFSYDKHPEIJ-RYUDHWBXSA-N 293.454 0.591 0 50 CCAA Cc1ccc(C(=O)O)c(N(C)CCN2CCOCC2)n1 1506399212 KVZFIHMFLKPWLK-UHFFFAOYSA-N 279.340 0.857 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(C(=O)O)c1 110693410 XRPISULDSGLRCF-LLVKDONJSA-N 276.292 0.735 0 50 CCAA NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C(=O)O)C2)C1 227059694 PDALWDGUHJWBKH-OUAUKWLOSA-N 282.340 0.601 0 50 CCAA Cc1nonc1CNc1nccc(N2CCC[C@@H](O)C2)n1 1704340440 IKSDCGGGRFGODH-SNVBAGLBSA-N 290.327 0.741 0 50 CCAA CCCS(=O)(=O)CC(=O)N1CCC(O)(CC)CC1 330899628 NYKXYFUUTRZYIU-UHFFFAOYSA-N 277.386 0.575 0 50 CCAA Cc1nscc1C(=O)N1CC[C@H](CS(C)(=O)=O)C1 332685292 UJMTVUATGWDMDP-VIFPVBQESA-N 288.394 0.958 0 50 CCAA COc1cncc(C(=O)NCC2(O)CCCCC2)n1 359519141 UQALQRCZLMTURB-UHFFFAOYSA-N 265.313 0.910 0 50 CCAA Cc1nn2ncccc2c1C(=O)N1CCC(CO)CC1 1775982799 YLKXGEUTMQMSOZ-UHFFFAOYSA-N 274.324 0.882 0 50 CCAA Cc1cc(C(=O)NCCNc2cccnc2)n(C)n1 19148133 KIFKRPXZDOUCGC-UHFFFAOYSA-N 259.313 0.965 0 50 CCAA Cc1nn(C)cc1C(=O)N[C@@H]1C[C@H]2CO[C@H](C)CN2C1 1857716738 QOCDHAPBQWJXKU-JLLWLGSASA-N 278.356 0.320 0 50 CCAA Cc1nc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)cs1 1857718467 VFURDBYKBURWNK-JMJZKYOTSA-N 269.370 0.556 0 50 CCAA Cc1c(C(=O)N2CC(O)(CO)C2)cnn1-c1ccccc1 615418699 CDWIEAFZAXZLKO-UHFFFAOYSA-N 287.319 0.360 0 50 CCAA CNC(=O)c1ccc(C(=O)N2CCOCC23CC3)cn1 328687474 HANQWKIZEHIRII-UHFFFAOYSA-N 275.308 0.446 0 50 CCAA CCc1ncnc(N2C[C@H]3COC[C@@H](C2)CN3C)c1F 1704312620 GRMABVAHAONTRH-MNOVXSKESA-N 280.347 0.945 0 50 CCAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)c1cc[nH]n1 910203403 WUSFYOXFXHEXLN-SNVBAGLBSA-N 261.237 0.827 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)C(C)=C1CCC1 818381279 LSWIMSVKDXSKHU-CQSZACIVSA-N 266.341 0.980 0 50 CCAA CN(C(=O)[C@@]1(C(=O)O)CC=CCC1)[C@H]1C[C@@H](C(N)=O)C1 864059015 YVMHWVYHKWVJEL-ISTVAULSSA-N 280.324 0.520 0 50 CCAA O=C(NC/C=C/CO)[C@@H]1CCO[C@@H]1CC1CCNCC1 952889257 VVTGOHSCLLSLJN-GEYXIOIISA-N 282.384 0.446 0 50 CCAA CN(C(=O)N1CC[C@@H](c2nn[nH]n2)C1)C1CCCC1 1875297999 LJFVUGBBMQVVLM-SECBINFHSA-N 264.333 0.983 0 50 CCAA Cc1sncc1C(=O)N(C)CCN1CCNCC1 1875287702 VZDLHBFMXVRLGA-UHFFFAOYSA-N 268.386 0.429 0 50 CCAA CC(C)[C@@H](N)C(=O)NC[C@@]1(C)CN(C(C)C)C1=O 1875369045 NWOLSCMFTAHNJX-MFKMUULPSA-N 255.362 0.343 0 50 CCAA O=C(Cc1cc(O)nc(O)n1)NC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1875314138 JEBKVFOMEPRNEG-SDTFLJBVSA-N 289.335 0.839 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@H]1CC(=O)O 129304225 OVDZTCQLNXBMHF-JTQLQIEISA-N 281.312 0.353 0 50 CCAA CCn1cc(CC(=O)N2C[C@@H](N)C3(CCC3)C2)nn1 1775962318 FITXWWYDPXAESO-LLVKDONJSA-N 263.345 0.180 0 50 CCAA c1nc2n(n1)CCC[C@H]2N=c1[nH]ccn2cnnc12 333272886 HNZMEXZBLDJWCV-MRVPVSSYSA-N 256.273 0.085 0 50 CCAA C[C@@H]1CN(C)CCCN1C(=O)c1cnc(N)s1 584886281 WFPYLVYRXSTJMU-MRVPVSSYSA-N 254.359 0.892 0 50 CCAA CC[C@@](C)(O)c1cn(Cc2nsc(N(C)C)n2)nn1 699164549 UKJFMPGIBGKPDZ-LLVKDONJSA-N 282.373 0.861 0 50 CCAA Cc1sc(CCNS(=O)(=O)C2CC2)nc1C(=O)O 899940898 OJWYGRHCRDUDHF-UHFFFAOYSA-N 290.366 0.774 0 50 CCAA O=C(O)[C@H]1C=CCN1S(=O)(=O)c1ccc2c(c1)OCC2 2325765457 ILWYLUZNSWOGKC-LLVKDONJSA-N 295.316 0.635 0 50 CCAA O=C(N[C@H]1CCCNC1)c1cc2c([nH]c1=O)CCCC2 120358494 KFCILUXVLGOGGM-NSHDSACASA-N 275.352 0.736 0 50 CCAA CCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 39866 WQTJWJGESBNSKG-UHFFFAOYSA-N 287.117 0.216 0 50 CCAA CCC(=O)N[C@]1(C(F)(F)F)C(=O)NC(C)=C1C(=O)OC 4850501 KKGFZANIZOYEMA-JTQLQIEISA-N 294.229 0.391 0 50 CCAA O=C(O)CCCN1C(=O)c2ccccc2S1(=O)=O 4988123 KNAWULHKVRITGT-UHFFFAOYSA-N 269.278 0.696 0 50 CCAA Cc1csc2ncc(C(=O)N3CCOCC3)c(=O)n12 6504993 PNZQXBCRIDNCBC-UHFFFAOYSA-N 279.321 0.537 0 50 CCAA CO[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1cc(C)no1 1364786232 QRTCUDAVVNMSEC-MNOVXSKESA-N 274.342 0.970 0 50 CCAA CC[C@@H](CCCc1c(O)nc(N)nc1O)C(=O)O 39438671 AVTNFXVHJKXNSU-LURJTMIESA-N 255.274 0.904 0 50 CCAA CCn1ccnc1C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C 330133829 MDRNAQHRYGOIOJ-RAALSFIWSA-N 269.370 0.885 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1cnc(-c2cnn(C)c2)s1 124856903 XYCBYLPUYGJOSB-SECBINFHSA-N 291.380 0.978 0 50 CCAA O=C(NC[C@@H]1CCCS1(=O)=O)Nc1cccnc1 152086525 VIWMMRABPWVSLH-JTQLQIEISA-N 269.326 0.780 0 50 CCAA CCOc1cccc(C(=O)N[C@H]2CCC(=O)NC2=O)c1 152115244 JGZNPMVTNMXKOB-NSHDSACASA-N 276.292 0.620 0 50 CCAA C[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)[C@@H]1C(=O)O 235392316 QSGHAAXOCGKHED-KCJUWKMLSA-N 264.281 0.700 0 50 CCAA O=C(O)C(=O)NC[C@@H]1CCCN1CCc1ccccc1 368138789 LQWPYBSTXBNNIP-ZDUSSCGKSA-N 276.336 0.894 0 50 CCAA CO[C@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 332115182 CSFDFYMIHYHXPA-JTQLQIEISA-N 288.307 0.039 0 50 CCAA Cc1ccc(F)c(OCC(=O)N2CCO[C@@H](C(=O)O)C2)c1 262067475 ICRQIYWKQUXVDW-GFCCVEGCSA-N 297.282 0.825 0 50 CCAA O=C(O)[C@H]1CN(C(=O)C[C@@H](O)c2cccc(F)c2)CCO1 262123275 PRFNDFZFYULTKG-VXGBXAGGSA-N 297.282 0.561 0 50 CCAA CCN1CCN(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)CC1=O 333666721 XLQJZYWAVXOFHQ-YNEHKIRRSA-N 295.383 0.818 0 50 CCAA O=C(O)CNC(=O)c1ccn(-c2ccc(F)cc2)n1 237931613 ZCGNUEXRLFNEIR-UHFFFAOYSA-N 263.228 0.826 0 50 CCAA CCn1nccc1CCN1C[C@@H](OC)C[C@H]1C(N)=O 284782686 YJBQLOIQDSLODW-RYUDHWBXSA-N 266.345 0.020 0 50 CCAA CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccco2)N(C)C1 284861239 CVTWHYQWHVUNFB-QWRGUYRKSA-N 288.369 0.619 0 50 CCAA Cc1cc(C(=O)N[C@H]2CCc3c[nH]nc3C2)nn1C 329863545 RYUJOEVYOUIGNW-JTQLQIEISA-N 259.313 0.739 0 50 CCAA Cc1ncccc1CNC(=O)NC[C@@H]1COCCO1 527684093 NLHDJSOBDOWFNL-GFCCVEGCSA-N 265.313 0.605 0 50 CCAA C[C@H](c1n[nH]c(=O)[nH]1)N1CC2(CCNCC2)CCC1=O 92066879 PARUQGMDILRZQT-SECBINFHSA-N 279.344 0.151 0 50 CCAA CC1=CCN(C(=O)CN2C(=O)COc3cccnc32)CC1 95528058 LOYVWLMOAOVOKY-UHFFFAOYSA-N 287.319 0.986 0 50 CCAA CCN1C[C@H](C(=O)N2CCc3ncccc3C2)CC1=O 95391429 GSZWJONCJYHVFX-GFCCVEGCSA-N 273.336 0.835 0 50 CCAA CC(C)[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1N(C)C 91288883 NPLSDSBREPKWTP-PWSUYJOCSA-N 278.356 0.428 0 50 CCAA COC(=O)Nc1cc(C2=N[C@H](C(=O)OC)CO2)ccn1 601014334 DQFOSFIQQXGBNE-QMMMGPOBSA-N 279.252 0.578 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)OC[C@H]1C 299739533 PSWBRSRIYCXZDN-WOPDTQHZSA-N 291.417 0.024 0 50 CCAA O[C@H]1CCCOC12CCN(CCn1cccn1)CC2 299762304 UEYTVKPINYPSNG-ZDUSSCGKSA-N 265.357 0.889 0 50 CCAA Cc1cc(C)nc(CN2CC[C@](C)(O)[C@@H](O)C2)n1 96151608 BTYFJALWBQHNST-AAEUAGOBSA-N 251.330 0.411 0 50 CCAA CCN1CCN(C(=O)c2cn(C)c(C)cc2=O)[C@H](C)C1=O 653024349 PDQQOJKJLLEROQ-LLVKDONJSA-N 291.351 0.387 0 50 CCAA Nc1nc(NCCO)cc(NCC[C@H]2CCCOC2)n1 828767791 NWQXVMCGXPEOHE-SNVBAGLBSA-N 281.360 0.692 0 50 CCAA CC(C)C[C@@H](O)c1nc(CC(N)=O)nn1-c1cccnc1 821004175 SNTLCOGFHMNUBK-LLVKDONJSA-N 289.339 0.770 0 50 CCAA CCS(=O)(=O)N1CCC(O)(CN2CCCC2)CC1 823413023 MFOPKCLNQYTTSL-UHFFFAOYSA-N 276.402 0.259 0 50 CCAA CNC(=O)C[C@@H]1CCN(CCn2cnnc2C)C1 823821098 TWKCCOYMHNFZOI-NSHDSACASA-N 251.334 0.045 0 50 CCAA O=C(C1CCC1)N1CCC[C@H](c2ncnn2CCO)C1 828778334 HHYVPHNRPAINJX-LBPRGKRZSA-N 278.356 0.777 0 50 CCAA NC(=O)Cc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 670449443 NLQWMJUYENXGNG-UHFFFAOYSA-N 260.253 0.271 0 50 CCAA CC(C)(c1nnc(C(=O)N2CCCC2)o1)S(C)(=O)=O 1361852366 ABSKGFNPHNSCNS-UHFFFAOYSA-N 287.341 0.585 0 50 CCAA Cn1ncc2ccc(B(O)OC(C)(C)C(C)(C)O)cc21 169994588 NTMSMRHAEBONHF-UHFFFAOYSA-N 276.145 0.827 0 50 CCAA CC[C@]1(CO)CCCN(Cc2nc(C(N)=O)no2)C1 91411653 QIOXFAORLKIAMM-LBPRGKRZSA-N 268.317 0.153 0 50 CCAA COC[C@@H]1CN(c2ncnc(N)c2Cl)C[C@@H](C)O1 277964040 YNROIYLBRWBXOR-SFYZADRCSA-N 272.736 0.952 0 50 CCAA Cc1cc(C(=O)N2CCN[C@H](C)C2)c2cnn(C)c2n1 188453986 OFEXBSUJRJJEIR-SNVBAGLBSA-N 273.340 0.711 0 50 CCAA CN1C[C@@H](NC(=O)c2cc(O)nc(C3CC3)n2)CC1=O 553423936 HYLWKAWXAAJLAL-QMMMGPOBSA-N 276.296 0.020 0 50 CCAA O=C(C[C@@H]1COCCN1)NCc1ccc2c(c1)OCO2 72151730 NTZRZBCNOFZJOH-LLVKDONJSA-N 278.308 0.410 0 50 CCAA O[C@@]1(Cn2ccnn2)CCN(CCc2ccccn2)C1 671554195 QEXOXOPSEQOQCI-AWEZNQCLSA-N 273.340 0.353 0 50 CCAA Cc1nc(C)c(F)c(N2CCN(CCO)C[C@H]2C)n1 581767204 FUTLIDBQLOYXRV-SECBINFHSA-N 268.336 0.735 0 50 CCAA COC(=O)[C@@H](CNS(C)(=O)=O)c1ccc(F)cc1 193117168 VVSHFRMHEKPNDV-JTQLQIEISA-N 275.301 0.632 0 50 CCAA Cn1nccc1CCNC(=O)c1ccn(CC(F)F)n1 194490214 HLVAYLCWKRUNLM-UHFFFAOYSA-N 283.282 0.854 0 50 CCAA CC[C@H](N)C(=O)N(C)[C@H]1CCC[C@@H]1S(C)(=O)=O 195542468 SMCDQNMHHHNXJG-GUBZILKMSA-N 262.375 0.148 0 50 CCAA CCOC(=O)CCCNC(=O)N[C@@H]1C(=O)OCC1(C)C 1615571297 INPAKZBMHVAUBS-SNVBAGLBSA-N 286.328 0.581 0 50 CCAA CN(CC(=O)N[C@H]1CC=CC[C@@H]1C(N)=O)C1CCCC1 1615693334 YCQKPVOMPYHOER-STQMWFEESA-N 279.384 0.797 0 50 CCAA CC(=O)NCC1CCN(CC[C@@H]2COCCO2)CC1 1775982807 DUILBPMWJUSCSE-CQSZACIVSA-N 270.373 0.640 0 50 CCAA CCOCCC(=O)N1CCC[C@H](c2nnc[nH]2)C1 219619916 GYZZGOAYSXQRBY-JTQLQIEISA-N 252.318 0.937 0 50 CCAA C[C@H](C(=O)NCCc1nccs1)N1CCCC1=O 19537380 GTPFQUAXDRRTSR-SECBINFHSA-N 267.354 0.813 0 50 CCAA OC1CCN(C2CCN(CC[C@H]3COCCO3)CC2)CC1 1775978861 WQSAUOSEFTZNEA-INIZCTEOSA-N 298.427 0.713 0 50 CCAA Cc1nc(O)c2c(n1)CN(CC[C@@H]1COCCO1)C2 1775983089 XKONDQUPSIJZSN-SNVBAGLBSA-N 265.313 0.612 0 50 CCAA CN1CC[C@H](NC(=O)[C@H]2CCc3ccccc3O2)C1=O 19883882 RPEDWZZKUHKAED-WCQYABFASA-N 274.320 0.727 0 50 CCAA O=C(c1cnn2ccncc12)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 328599299 BWJKFXVWYUQJES-IJPSMNBWSA-N 284.319 0.571 0 50 CCAA COc1cccc(CN2CC[C@H]3OCC(=O)N[C@H]3C2)c1F 253397271 UYFAVQOEYPYGJN-NWDGAFQWSA-N 294.326 0.924 0 50 CCAA COC[C@H](CO)NC(=O)[C@H]1CCO[C@@H]1c1cccnc1 357709278 QEVLSNYZPVJTAN-RWMBFGLXSA-N 280.324 0.283 0 50 CCAA COC(=O)[C@H]1C[C@H](O)CN(CCCc2cncn2C)C1 594015295 IGRYFXOROOXWFG-AAEUAGOBSA-N 281.356 0.209 0 50 CCAA Cc1cc(CC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)no1 267310386 MNUXRRJBNVPMMP-GHMZBOCLSA-N 265.313 0.686 0 50 CCAA Cc1nnc(CNC(=O)[C@@H]2Cc3ccccc3CN2)n1C 393241882 VKTDMLCMHUBLHO-ZDUSSCGKSA-N 285.351 0.454 0 50 CCAA CCOC(=O)CNS(=O)(=O)c1ccc(OC)cc1 4598850 VGISMSHTCXXLOR-UHFFFAOYSA-N 273.310 0.537 0 50 CCAA Cc1cnc(C(=O)N2CCOC[C@@H]2CC(N)=O)c(C)c1 822125052 KFSBMIZNQDMICH-NSHDSACASA-N 277.324 0.415 0 50 CCAA COC1(C(F)(F)F)CCN(CC(=O)NC(N)=O)CC1 930742172 IMDVJACBNOJGJF-UHFFFAOYSA-N 283.250 0.225 0 50 CCAA NC(=O)CN1CCC[C@H](c2ncc(Br)cn2)C1 952881866 HNPFUKQVQPWPJV-QMMMGPOBSA-N 299.172 0.904 0 50 CCAA Cc1ccccc1OC[C@@H](O)CN(C)CC(CO)CO 1875275241 IJXHNAQYZNIOHR-AWEZNQCLSA-N 283.368 0.267 0 50 CCAA Cc1ncc(C(=O)N2C[C@H](O)CC2(C)C)c(=N)[nH]1 1875298019 LYRAEKCYUFKDTD-MRVPVSSYSA-N 250.302 0.183 0 50 CCAA NCCNC(=O)[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 1875268377 NVYGEUHFOSXOKD-JTQLQIEISA-N 288.355 0.249 0 50 CCAA CO[C@@H]1CCC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1875264521 MBSXYHXTTHSFQQ-GHMZBOCLSA-N 295.339 0.001 0 50 CCAA CC(=O)N1CCC(NC(=O)N[C@@H]2CCCCNCC2)CC1 1875269040 NVXQYMYTPMSJQK-CYBMUJFWSA-N 296.415 0.829 0 50 CCAA Cc1c[nH]cc1C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 885304342 WNMJRILRELUDGT-SECBINFHSA-N 271.342 0.074 0 50 CCAA C=CC(=O)N1CCC(NC(=O)c2cccn2C)CC1 888102263 ISLYQOQLJNPADW-UHFFFAOYSA-N 261.325 0.932 0 50 CCAA CO[C@@H]1COC[C@@H]1NC(=O)NCCN1CCC(C)(C)C1 895330305 PPNDYBDWHLZRAJ-NWDGAFQWSA-N 285.388 0.431 0 50 CCAA N[C@H]1CC12CC(NS(=O)(=O)c1ccnn1C1CCC1)C2 1775961279 MSHLBASRCSLHKO-QDYJBQRPSA-N 296.396 0.766 0 50 CCAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CC[C@]2(CCOC2)C1 162125378 HGNMJLQALQEHHA-BAYHKCFCSA-N 264.369 0.999 0 50 CCAA O=S(=O)(N[C@H]1CC12CCNCC2)c1ccco1 366357827 JJJXGKANJBEIRM-VIFPVBQESA-N 256.327 0.700 0 50 CCAA O[C@@H](CN1CCOCC1)CN1CCc2ncccc2C1 372159216 YUCPGJHUDYFFDA-AWEZNQCLSA-N 277.368 0.133 0 50 CCAA CCOC(=O)[C@H](C)N1CCN(C(=O)OCC)CC1 63772455 WRKCAHQLVBKFEZ-JTQLQIEISA-N 258.318 0.712 0 50 CCAA O=S(=O)(N[C@@H]1CCCCNC1)c1cn2c(n1)CCCC2 420456190 ZDKGZVUQDDDHHD-LLVKDONJSA-N 298.412 0.640 0 50 CCAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(CO)CO 65388163 AZQSVHQVXQTUQT-UHFFFAOYSA-N 279.315 0.796 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21 250801262 BNPAZONSIXUGTQ-YTWAJWBKSA-N 253.298 0.735 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)C/C=C/c1ccccc1 67790638 VNSWVCZNFWZJKY-AMVTZNPPSA-N 287.363 0.764 0 50 CCAA O=C(CN1CCOC1=O)NC[C@H]1COc2ccccc2O1 215900144 LXWADBOORIRBAP-JTQLQIEISA-N 292.291 0.395 0 50 CCAA Cc1ncc(S(=O)(=O)NC2(CO)CCC2)s1 230722930 AAXPBNZXBWOOGT-UHFFFAOYSA-N 262.356 0.645 0 50 CCAA COC(=O)COCC(=O)N1CC[C@@H](C)[C@@H](OC)C1 356889883 HJUXXXZYLHSRJE-ZJUUUORDSA-N 259.302 0.059 0 50 CCAA Cc1cc(C)n(CC(=O)Nc2ccn([C@H]3CCNC3)n2)n1 328629703 PCAWWRPUTNYFHF-LBPRGKRZSA-N 288.355 0.870 0 50 CCAA O=C([C@@H]1C[C@@]12CCOC2)N1CCC[C@H]1Cn1ccnn1 329015174 JSRBHYXRDLQSFA-SGMGOOAPSA-N 276.340 0.696 0 50 CCAA CO[C@@H]1CCC[C@H](CC(=O)NCCc2nc(=N)[nH]o2)C1 331066528 QEUWWLOBHOFQIC-VHSXEESVSA-N 282.344 0.736 0 50 CCAA NC(=O)[C@H]1CCCCN1S(=O)(=O)NCc1ccccc1 72148740 FDMCDMFLQHZMKK-GFCCVEGCSA-N 297.380 0.361 0 50 CCAA COCCN1CCCN([C@@H](C)c2noc(C)n2)CC1=O 377733645 XQGQXZFTHXJTKT-JTQLQIEISA-N 282.344 0.620 0 50 CCAA CCNc1nc(C(=O)N2CC(=O)N(CCOC)C2)cs1 282942136 GMHWWSFTGXSZCA-UHFFFAOYSA-N 298.368 0.463 0 50 CCAA CC(C)n1cc([C@@]2(O)CCN(c3ncc(F)cn3)C2)nn1 284574174 PDBOBKASDHODCI-CYBMUJFWSA-N 292.318 0.886 0 50 CCAA O=C(NC1(C(=O)O)CCOCC1)c1cn2ccccc2n1 131761804 XFAZSZOVTQRYKG-UHFFFAOYSA-N 289.291 0.698 0 50 CCAA C/C(=C\C(=O)N1CCC[C@](O)(C(N)=O)C1)c1ccccc1 285452751 JMQMEJFVVDUZDA-YBHKSSGVSA-N 288.347 0.929 0 50 CCAA O=C([C@H]1COCCO1)N1CCN(Cc2cccnc2)CC1 47953951 FAAAALLZLBTXSG-CQSZACIVSA-N 291.351 0.141 0 50 CCAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc(Cn2cnnn2)cc1 220748213 BMWKHNCLJQFSPL-RDBSUJKOSA-N 299.334 0.629 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)CCCc1cn[nH]c1 220410832 GXLSTYKIHLQBHT-VXGBXAGGSA-N 267.329 0.653 0 50 CCAA CC(C)(C)OC(=O)N1CCN(C2CS(=O)(=O)C2)CC1 149881911 LNXTZVIQZGSTOG-UHFFFAOYSA-N 290.385 0.336 0 50 CCAA CC[C@@H](NC(=O)c1cnc(OCC2CC2)cn1)C(N)=O 291601113 GHILPBKBMBWUMM-SECBINFHSA-N 278.312 0.259 0 50 CCAA CC(=O)NCCNc1cc([C@@H]2CCOC2)nc(C)n1 426444857 CKKKYPSNPJICOY-LLVKDONJSA-N 264.329 0.837 0 50 CCAA Cc1noc(COCC(=O)N2CCCC[C@@H]2CN)n1 237636487 FHJCTQVOVANXKZ-SNVBAGLBSA-N 268.317 0.234 0 50 CCAA OCCn1ncnc1CCc1nc2ccccc2[nH]1 91620225 WLTYFSZPCPKYKG-UHFFFAOYSA-N 257.297 0.932 0 50 CCAA Cn1cnc2cc(C(=O)N3CC[C@@](C)(O)[C@@H](O)C3)ccc21 96163756 HYGYRAYCOXARNW-DZGCQCFKSA-N 289.335 0.531 0 50 CCAA COCc1nc(Cn2ncc3ccccc3c2=O)no1 95362368 NTDVEYCRKVRWAO-UHFFFAOYSA-N 272.264 0.974 0 50 CCAA CCC[C@H]1CN(CC2CCC2)C[C@@H]1NC(=O)CNC(N)=O 91593313 IMHRJIVVVZWCSF-STQMWFEESA-N 296.415 0.672 0 50 CCAA C[C@H](OCC1CC1)C(=O)N1CCOC[C@H]1C(=O)O 299748118 GCTZRIYTBIDHPL-WPRPVWTQSA-N 257.286 0.114 0 50 CCAA Cc1nnc(NCCCN2CCC(C(N)=O)CC2)s1 534646465 BZBCBGHIRZJFFI-UHFFFAOYSA-N 283.401 0.846 0 50 CCAA CN(Cc1cnc2ccccc2n1)C(=O)[C@H]1CNCCO1 534587321 FKRHRUFFAKKIFX-CQSZACIVSA-N 286.335 0.577 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CCCC1 617872578 PBTSBNFPCCRPLZ-NXEZZACHSA-N 261.343 0.105 0 50 CCAA CN(C)CCN(C)C(=O)NCCc1cnn(C)c1 267040500 FDCFYYVFMHKULY-UHFFFAOYSA-N 253.350 0.166 0 50 CCAA Cn1cccc1C(=O)C(=O)N[C@H]1COC[C@@H]1N1CCCC1 534673698 WTRODTUNTKOKDO-AAEUAGOBSA-N 291.351 0.187 0 50 CCAA CN1Cc2ccccc2C[C@H]1CNC(=O)Cn1cc(N)cn1 299791829 DTMALCTZMMZXFN-HNNXBMFYSA-N 299.378 0.638 0 50 CCAA COCCN1C[C@H](CN2CCc3n[nH]cc3C2)CC1=O 299761009 QGYMFJCPFFDSEZ-NSHDSACASA-N 278.356 0.263 0 50 CCAA CCCn1cnnc1[C@@H](C)NC(=O)Cn1cccnc1=O 299799067 UXJXWHRYWRJKPY-SNVBAGLBSA-N 290.327 0.122 0 50 CCAA CN1CC[C@@H](NS(=O)(=O)N(C)Cc2ccccc2)C1=O 823724804 ZJKIJMPCUFPWRF-GFCCVEGCSA-N 297.380 0.184 0 50 CCAA CN(C)C1=NC2(CCN([C@H]3CCCOC3)CC2)C(=O)N1 823652370 FEQGKKYZEGKZIA-NSHDSACASA-N 280.372 0.047 0 50 CCAA CCCS(=O)(=O)NC[C@H](C)NCc1cnn(C)c1C 584903943 QFIUUDYUIANLAO-JTQLQIEISA-N 288.417 0.536 0 50 CCAA COCCN1C[C@@H](CNC(=O)c2cncc(F)c2)CC1=O 584892134 UHWLEIJTVNSNPB-SNVBAGLBSA-N 295.314 0.445 0 50 CCAA NC(=O)c1cccnc1NCCN1CCC[C@@H](CO)C1 670440177 ZURYULRYYNUOPB-LLVKDONJSA-N 278.356 0.297 0 50 CCAA C=CC(=O)N(CC)CC(=O)NCc1cc(C)cnc1O 1339221995 UPERAJXKLKHHSJ-UHFFFAOYSA-N 277.324 0.746 0 50 CCAA C[C@H](O)CN1CCN(CCCN2CCCC2=O)C[C@H]1C 241383458 MVLNRZPUDLRRJF-KGLIPLIRSA-N 283.416 0.386 0 50 CCAA O=C(c1ccn2ncnc2c1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 1550833496 BNLMCEPNVATDBL-AVGNSLFASA-N 286.335 0.962 0 50 CCAA COC(C)(C)CNC(=O)N1C[C@@H](N)[C@H](c2cn(C)cn2)C1 1553456629 PFSSEJBYZHXTHZ-GHMZBOCLSA-N 295.387 0.281 0 50 CCAA CN(CC(C)(C)CO)C(=O)CN1CC[C@H](N(C)C)C1 952973534 SSSYAYIKUSAGPU-LBPRGKRZSA-N 271.405 0.099 0 50 CCAA OC[C@@H]1CCCN1Cc1cn(Cc2ccon2)nn1 630597847 GKYIANCAQZOVAY-LBPRGKRZSA-N 263.301 0.271 0 50 CCAA CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)SC)C1=O 278774911 NHYMNJMAGJFBJG-WKEGUHRASA-N 259.331 0.490 0 50 CCAA CO[C@@H](C)C(=O)NCC1CCN(c2ncccn2)CC1 170607795 NNGCCBRAJIWJPA-NSHDSACASA-N 278.356 0.844 0 50 CCAA CO[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)[C@](C)(CO)C1 634065860 CNKJKUUCPXWEHK-BHDSKKPTSA-N 294.355 0.223 0 50 CCAA CN1C(=O)C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1 583621043 PGCZRUSPQNAKQR-DOMZBBRYSA-N 299.334 0.435 0 50 CCAA Cc1n[nH]cc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583620987 AUISWTNDBUEPLB-OCCSQVGLSA-N 299.334 0.815 0 50 CCAA CC(=O)CCCC(=O)N1CC(=O)N(CC2CC2)C1 684091103 LZOLZMAKOHNWSO-UHFFFAOYSA-N 252.314 0.784 0 50 CCAA Cc1ncccc1CN1C(=O)N[C@]2(CCOC2)C1=O 685580592 XRUSGQQSWXWGOH-ZDUSSCGKSA-N 261.281 0.601 0 50 CCAA CN(Cc1cn(C)nn1)C(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]21 1615552925 HSODBFUJNKPRQY-KWCYVHTRSA-N 291.399 0.942 0 50 CCAA CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cnon2)C1 1615587260 WJMACUXLFSVLOW-WDEREUQCSA-N 294.355 0.971 0 50 CCAA CCC[C@@H]1C=CCN1C(=O)c1c[nH]nc1-n1cnnn1 1506399235 KZCJHBRDOVHXKP-SECBINFHSA-N 273.300 0.566 0 50 CCAA COc1cnc(C)cc1C(=O)N1CC[C@@H](NC(C)=O)C1 1857700345 FQFNFRXMJBLMQA-LLVKDONJSA-N 277.324 0.749 0 50 CCAA Cc1ccccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1 225406059 MDDQXSPSXYZJQL-YUTCNCBUSA-N 262.353 0.765 0 50 CCAA O=C(O)CCN(CC(=O)O)C(=O)c1ccccc1 2464675 WVGNFJUJQYDNGO-UHFFFAOYSA-N 251.238 0.688 0 50 CCAA COCCn1cc(CNC(=O)N2CCCC2)cn1 225704698 OHQHAAPVGBGBKD-UHFFFAOYSA-N 252.318 0.835 0 50 CCAA COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C 113367704 PECFITWCOBYBSW-IUCAKERBSA-N 272.301 0.443 0 50 CCAA in-vitro CSC[C@H](C(=O)O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 238856367 VUSVLCRDPBARIH-IWSPIJDZSA-N 271.338 0.978 0 50 CCAA in-vitro O=C(CCOC[C@@H]1CCCO1)N1CC(O)(C2CC2)C1 372688088 AGYNESRMWJDHOA-LBPRGKRZSA-N 269.341 0.555 0 50 CCAA CCCCc1ncc(CN2C[C@H]3[C@@H](C2)C3(CO)CO)[nH]1 1772816713 ZTDFPTQFGDBNNP-BETUJISGSA-N 279.384 0.785 0 50 CCAA O=c1/c(=C/c2ccc(O)cc2)sc2n1CCCN=2 13110738 VJFIHKGXUMESDD-FLIBITNWSA-N 260.318 0.468 0 50 CCAA Cc1nc(CC(=O)N2CCC(C(N)=O)CC2)cs1 12409044 MAGFEVABDLFQAV-UHFFFAOYSA-N 267.354 0.718 0 50 CCAA Clc1ccc(CNC23CN4CN(CN(C4)C2)C3)cc1 19326330 XBSQORRKIRMFIR-UHFFFAOYSA-N 278.787 0.988 0 50 CCAA N[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19874288 GNKKYNJRNPWQGM-GFCCVEGCSA-N 254.355 0.940 0 50 CCAA CN1CCN(C(=O)NCCc2ccc(F)cc2)C[C@@H]1CO 1857529033 YLOXWOBFYCBXGP-CQSZACIVSA-N 295.358 0.686 0 50 CCAA CC(C)(C)n1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1 1857670842 FRHHNDVHHQRFKS-FDYHWXHSSA-N 294.351 0.500 0 50 CCAA O=C(CCn1cccn1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857711504 CVGRPWIXQKOLJH-FRRDWIJNSA-N 279.340 0.272 0 50 CCAA CC(=O)OC[C@@H]1OC=C[C@H](OC(C)=O)[C@H]1OC(C)=O 161625 LLPWGHLVUPBSLP-SDDRHHMPSA-N 272.253 0.325 0 50 CCAA biogenic,in-vitro O=C(N[C@H](CO)C1CCCC1)c1cc(O)cc(O)n1 615058405 CVUVIBXWNXEXJF-LLVKDONJSA-N 266.297 0.774 0 50 CCAA CSc1ncccc1C(=O)N1CC[C@](C)(O)[C@H](O)C1 247489470 BAGGSFNXZGLSGG-MFKMUULPSA-N 282.365 0.761 0 50 CCAA Cc1cc(NC(=O)N2CCO[C@@H](CO)C2)c(N(C)C)nn1 667485455 SVODYOIQGUMKTF-SNVBAGLBSA-N 295.343 0.076 0 50 CCAA O=C(NCCc1cnccn1)N[C@H]1c2ccccc2C[C@@H]1O 378461460 KLIOZZHVDHRHDG-GJZGRUSLSA-N 298.346 0.977 0 50 CCAA COc1cc(C)nc(N2C[C@@H](C)[C@H](C(=O)O)C2)n1 164104469 UEKLWUDHPMECNP-VXNVDRBHSA-N 251.286 0.951 0 50 CCAA CC[C@@H](COC)NC(=O)N[C@@H](C)c1nnc(O)n1C 864094024 AMDFLMMQKWVDRY-YUMQZZPRSA-N 271.321 0.306 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@H]2COC[C@@H]2O1 1875298551 FBTLKYVJTSWSAD-USTYEKHQSA-N 295.335 0.502 0 50 CCAA CCOC(=O)C(F)(F)C1(O)CCN(C(=O)OC)CC1 1875289456 UDQVVDKCNQGQHS-UHFFFAOYSA-N 281.255 0.778 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@H]1CCCn2nccc21 1875333386 QWKIRWSOGZMDQM-JYBNPQIESA-N 263.297 0.606 0 50 CCAA Cn1ccc(CN2CCC[C@@](O)(Cc3nncn3C)C2)c1 886088936 RKTYVZFASLQFFD-OAHLLOKOSA-N 289.383 0.723 0 50 CCAA CNC(=O)c1ccc(N[C@@H]2C[C@@H](O)C23CCOCC3)nn1 888099369 WLBZIAGOYUQSND-GHMZBOCLSA-N 292.339 0.178 0 50 CCAA Cn1ccc(C(=O)NCC2(CO)CCCC2)cc1=O 135153819 JPOWCFHFINIBSL-UHFFFAOYSA-N 264.325 0.668 0 50 CCAA C[C@@H](Cn1cccn1)NS(=O)(=O)C[C@@H]1OCC[C@@H]1C 1775992023 WSEIJTMJSCPTCB-SRVKXCTJSA-N 287.385 0.616 0 50 CCAA Cc1noc(CCC(=O)N2CCC[C@H](C)[C@@H]2CN)n1 237692668 NDOOCKCAUVHJGN-ONGXEEELSA-N 266.345 0.896 0 50 CCAA O=C(O)C1(C(=O)N2CCC(c3cn[nH]c3)CC2)CC1 262155081 BGAPBOGEYLQGRN-UHFFFAOYSA-N 263.297 0.981 0 50 CCAA Cc1nccn1CC(=O)N(CC(=O)O)CC(C)C 426612869 PCXFYDZIGKLQBG-UHFFFAOYSA-N 253.302 0.761 0 50 CCAA Cc1cc(N[C@H](C(=O)N(C)C)C(C)C)nc(N)n1 91563380 HUJPAFCRVVPGEJ-JTQLQIEISA-N 251.334 0.892 0 50 CCAA COc1ccc(-c2c[n+]([O-])c(N)c(C(N)=O)n2)cc1 331406 CVTPFFKXFIKHSM-UHFFFAOYSA-N 260.253 0.072 0 50 CCAA C[C@H]1CN(C(=O)Cn2nnc3ccccc32)CC[C@H]1O 1412060744 SLCHPOPICSCQCA-GXFFZTMASA-N 274.324 0.661 0 50 CCAA CC(C)C(=O)NC[C@@]12C[C@@H](CO1)N(C(=O)C1CC1)C2 2325864847 AWORLMCRZDBAEQ-SMDDNHRTSA-N 266.341 0.539 0 50 CCAA CCn1ncnc1CN1CCC[C@]12CCCN(C)C2=O 2356165922 QYVXTWHMSUAEBM-AWEZNQCLSA-N 277.372 0.885 0 50 CCAA CCS(=O)(=O)N1CCC[C@H](C(=O)NC2CC2)C1 4149155 ROSINGKFMYWBEW-VIFPVBQESA-N 260.359 0.327 0 50 CCAA Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(N)=O 4487087 ULEPPMDPSVUYRO-UHFFFAOYSA-N 298.364 0.644 0 50 CCAA O=C1C[C@@H](N2CCNCC2)C(=O)N1c1ccccc1 100890700 IBWUPCIAZNDGFK-GFCCVEGCSA-N 259.309 0.224 0 50 CCAA Nc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(F)c1)CC(=O)N2 9360745 GIEFQUHKPWEZHK-MRVPVSSYSA-N 274.255 0.965 0 50 CCAA COCCN(c1cc(C)nc2ncnn12)[C@H]1CCOC1 225607311 RMOUAIBDYKPTNE-NSHDSACASA-N 277.328 0.674 0 50 CCAA C[C@]12C(=O)N(NC(=O)c3ccncc3)C(=O)[C@@H]1[C@H]1C=C[C@H]2C1 101937835 YXVQIKWDKKZBPR-CENBSLRLSA-N 297.314 0.924 0 50 CCAA Cc1csc(CCCNC(=O)CN2C(=O)CNC2=O)n1 102380064 KEIWLVPKALACTO-UHFFFAOYSA-N 296.352 0.052 0 50 CCAA NC(=O)N1CC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)C1 343489030 ZDEINISNZYYTRS-GARJFASQSA-N 269.345 0.197 0 50 CCAA CNCCNC(=O)[C@]1(N)CCc2c(OC)cccc21 911749001 UJGMXNKSTJBEQK-AWEZNQCLSA-N 263.341 0.131 0 50 CCAA CN1CCC[C@@H](c2cc(=O)[nH]c(-c3cn(C)cn3)n2)C1 23367385 YTUIKMPBTOQRFU-SNVBAGLBSA-N 273.340 0.980 0 50 CCAA C[C@H]1CN(C(=O)[C@@H](C)N[C@H](C)Cn2cccn2)C[C@@H](C)O1 229347428 PVSLXIVFSAGTSL-YIYPIFLZSA-N 294.399 0.886 0 50 CCAA CN(Cc1n[nH]c2c1CCC2)C[C@@]1(O)CCNC1 77538408 PCEDBDTUMGSZTD-CYBMUJFWSA-N 250.346 0.055 0 50 CCAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)C[C@@H]2CCCO2)C1 229829837 IYGRRVGCYPPUMH-SRVKXCTJSA-N 276.402 0.425 0 50 CCAA COC(=O)CN1CCN(C(=O)c2ccco2)CC1 35889360 CERLEZCDZUWRHG-UHFFFAOYSA-N 252.270 0.210 0 50 CCAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccnc(O)c1 318885083 OVSDSFKCTHPTMG-ZDUSSCGKSA-N 297.314 0.840 0 50 CCAA Cc1cc(CN2CCC[C@@H](S(N)(=O)=O)C2)ncn1 428304569 YGVAAKHKLRVXJU-LLVKDONJSA-N 270.358 0.038 0 50 CCAA C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1cccnc1 361976251 GOKGZCNXKLOYLA-SNVBAGLBSA-N 283.353 0.583 0 50 CCAA CCCc1cc(N2C[C@H](CCO)[C@@H](N)C2)n2nccc2n1 72477870 XLUJDHDYUZGFSG-AAEUAGOBSA-N 289.383 0.828 0 50 CCAA CCOC1CC(O)(CNC(=O)[C@H]2CC23CCOCC3)C1 365601382 QUMXQDHRLNKKPX-MQYJIDSJSA-N 283.368 0.849 0 50 CCAA CCN(Cc1ccc(N(C)C)nc1)[C@H]1COC[C@@H]1O 215346906 BXIRTPVGTLVMMO-STQMWFEESA-N 265.357 0.729 0 50 CCAA COC[C@H](O)CCN[C@H]1CCCc2nn(C)cc21 331080151 LJMQUPHCCANFNG-PWSUYJOCSA-N 253.346 0.785 0 50 CCAA Cc1cc(C(=O)N2CCC[C@]3(CNC(=O)O3)C2)cc(=O)[nH]1 216313671 QJOQQVWDZPXKNL-AWEZNQCLSA-N 291.307 0.398 0 50 CCAA CC1(C)C[C@@H](NC(=O)C2=NN(CCO)C(=O)CC2)CCO1 373363061 PQVUEIQGKFSVJK-JTQLQIEISA-N 297.355 0.031 0 50 CCAA CCCC[C@H](NC(=O)[C@H](C)N1CCOCC1)C(=O)O 262335074 ZDLFURNILQNTLU-QWRGUYRKSA-N 272.345 0.467 0 50 CCAA CN1CC(=O)N2CCN(Cc3ccc(Cl)o3)C[C@@H]2C1=O 216469399 YDSVHYQZUGGAEA-SNVBAGLBSA-N 297.742 0.418 0 50 CCAA O=C(C[C@H]1CNCCO1)NCc1cnn2ccccc12 72128971 JYJMCXRZMDYEPC-LBPRGKRZSA-N 274.324 0.329 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)c1cc(CO)ccn1 218792085 RGGRHMLYYWREMI-LBPRGKRZSA-N 274.324 0.979 0 50 CCAA CN1CCO[C@@H](C(=O)NCc2cccc3c2OCO3)C1 174202608 SXQLLSDQGWIGFO-GFCCVEGCSA-N 278.308 0.362 0 50 CCAA NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 84544163 PFFZEJRJNHIZRG-UHFFFAOYSA-N 253.733 0.947 0 50 CCAA C[C@H](NC(=O)CN(C)Cc1cccnc1)c1nncn1C 223703902 RSUFUMPOVAALRR-NSHDSACASA-N 288.355 0.519 0 50 CCAA Cc1cc(C)n2nc(CC(=O)N(C)Cc3ncc[nH]3)nc2n1 426415413 OHVQYSSKZOHDBF-UHFFFAOYSA-N 299.338 0.665 0 50 CCAA CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc2nnnn2c1 532078378 FUTFNRBKKICDHA-LBPRGKRZSA-N 288.355 0.537 0 50 CCAA C[C@@H](C(=O)NCC1(O)CCN(C)CC1)N1CCCCCC1 332034396 SONHBRBVYWYMMO-AWEZNQCLSA-N 297.443 0.824 0 50 CCAA CC[C@H](NC(=O)CCn1cccn1)[C@H]1C[C@H](O)C1 244574747 CQQNAYVBRWVJNK-SRVKXCTJSA-N 251.330 0.939 0 50 CCAA Cc1n[nH]cc1CN(C)C(=O)[C@@H](N)CCCCN 244899387 ZIVHZIXOLWEAEX-NSHDSACASA-N 253.350 0.133 0 50 CCAA CC(C)(C)O[C@@H]1C[C@H](N=c2[nH]c(=N)[nH]c(=N)[nH]2)C1(C)C 624284771 AURVVNOJYVPFHR-JGVFFNPUSA-N 280.376 0.513 0 50 CCAA COCc1noc(CNS(=O)(=O)c2cccnc2)n1 534649179 PUJFHOZIHZPMQH-UHFFFAOYSA-N 284.297 0.090 0 50 CCAA Cn1nc2c(cc1=O)CN(C(=O)c1ccc[nH]1)CC2 263619600 ZMRLJZDKEWIOBE-UHFFFAOYSA-N 258.281 0.307 0 50 CCAA O=C(NCCc1cn2ccccc2n1)[C@@H]1C=CCN1 534656611 XHLRCUDLTIZOBC-LBPRGKRZSA-N 256.309 0.521 0 50 CCAA C[C@H]1CN(S(=O)(=O)c2ccc3oc(O)nc3c2)CCN1 534676861 PEXJXZACBCVNJT-QMMMGPOBSA-N 297.336 0.516 0 50 CCAA CN(CCc1cn[nH]c1)c1cc([C@@H]2CCOC2)nc(N)n1 299762623 OMLDNJSGXDBGBR-LLVKDONJSA-N 288.355 0.965 0 50 CCAA Cc1ncc2c(n1)CC[C@@H](NC[C@@H](O)CN1CCCC1)C2 629554461 IDRBPNGTYLLUIE-HUUCEWRRSA-N 290.411 0.689 0 50 CCAA O=C(N1CCN(CC2CCC2)CC1)C1(CO)CC1 584896747 FMBHWCUPVMRHDH-UHFFFAOYSA-N 252.358 0.703 0 50 CCAA CCN1CCN(C(C)(C)CNC(=O)C[C@@H]2CCOC2)CC1 823112781 FIQWTLWYWCBHEL-AWEZNQCLSA-N 297.443 0.945 0 50 CCAA CN(C)C(=O)c1ccc(CN[C@@H]2CCNC(=O)CC2)o1 584892923 PQEIMSXHRIONQJ-JTQLQIEISA-N 279.340 0.740 0 50 CCAA O=c1c2cnccc2ncn1Cc1cnc2cnccn12 584900986 GKTUMNZSPHQBLK-UHFFFAOYSA-N 278.275 0.883 0 50 CCAA COCCc1noc(CN(C)Cc2c[nH]nc2C(=O)O)n1 670434353 DEHHFJBWQZWELL-UHFFFAOYSA-N 295.299 0.312 0 50 CCAA OC[C@@H]1CCCN(CCCNc2nc[nH]c3ncnc2-3)C1 670466665 VNNVRNQGQLGJMH-LLVKDONJSA-N 290.371 0.811 0 50 CCAA CN1C(=O)N(C)C2(CCN(CC[C@H]3CCOC3)CC2)C1=O 670457152 MPYOUWCALAKHQC-LBPRGKRZSA-N 295.383 0.771 0 50 CCAA Cc1nncn1CCN1CCCN(C(=O)C2CCC2)CC1 670460790 PKIVQXVLPMWJED-UHFFFAOYSA-N 291.399 0.921 0 50 CCAA CCN(CC(=O)NC[C@H]1CCCO1)Cc1nc(C)no1 241081909 YSGVNIXCWVEBKT-LLVKDONJSA-N 282.344 0.495 0 50 CCAA C[C@H]1CN(CCCS(C)(=O)=O)C[C@H](C)S1=O 408351829 JDAPGDJERFXSOQ-UWVGGRQHSA-N 267.416 0.262 0 50 CCAA O=S1(=O)CC[C@@H](N2CCN(c3ncccc3F)CC2)C1 269263266 AXXZEJHEDANLRA-LLVKDONJSA-N 299.371 0.530 0 50 CCAA CN(C)c1ccc([C@H]2CCCN2C(=O)CO)nn1 643907158 QKSMSKYVQMHGDC-SNVBAGLBSA-N 250.302 0.198 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1cnc(C)cn1 643954205 ONVXKJIWCUEKHF-CQSZACIVSA-N 292.339 0.152 0 50 CCAA N[C@@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 191340868 KIQVSTPOPCKQRX-GFCCVEGCSA-N 285.347 0.951 0 50 CCAA Cc1cc(C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)co1 583617729 JOGMSJMKFQYROE-CYBMUJFWSA-N 276.296 0.830 0 50 CCAA COC[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)CCO1 585138685 GPMTTWDRJDANLC-GFCCVEGCSA-N 275.301 0.724 0 50 CCAA OC[C@@H]1CN(Cc2nnc(C3CC3)o2)CC[C@@H]1O 687821754 GCPKGQUEPRYVTJ-UWVGGRQHSA-N 253.302 0.122 0 50 CCAA O=C(N1CCOC2(CCCC2)C1)[C@]12CNC[C@H]1CCOC2 1615552633 FXXAQBKCBMXLBA-CJNGLKHVSA-N 294.395 0.784 0 50 CCAA Cn1nccc1Cc1cnc(N2CCOCC2)nc1 1250434371 JLSXIXBNECIXTD-UHFFFAOYSA-N 259.313 0.638 0 50 CCAA Cn1nccc1[C@H](CO)NC(=O)c1cncs1 622693543 NOXCOKMKPAUMKE-ZETCQYMHSA-N 252.299 0.340 0 50 CCAA CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccnc1 429324580 ASKQWNWTJQSDBR-RYUDHWBXSA-N 269.370 0.843 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)O)C1=O 30678318 UYBMLDXQOFMMED-SSDOTTSWSA-N 258.274 0.197 0 50 CCAA in-vitro NS(=O)(=O)C[C@H]1CCN(c2ncnc3cc[nH]c23)C1 1772813319 WZQLGTXXEZOBRO-QMMMGPOBSA-N 281.341 0.073 0 50 CCAA O=C(NCCN1CCOCC1)NCc1ccco1 13610571 KGDGIZORZXTWCF-UHFFFAOYSA-N 253.302 0.411 0 50 CCAA Cc1ccc(C(=O)CN2CCN(CCO)CC2)cc1 19879929 CQSCBSHUUMPOEZ-UHFFFAOYSA-N 262.353 0.788 0 50 CCAA Cc1occc1C(=O)NN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 169299002 IXLCLBNAMNDOBU-ZNSHCXBVSA-N 290.275 0.395 0 50 CCAA O=C1[C@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN12 165163840 VYQQGNXYGLHQQT-QWHCGFSZSA-N 256.305 0.945 0 50 CCAA N[C@@H](Cc1ccccc1)C(=O)Nc1ccn([C@@H]2CCNC2)n1 328631666 RGGGOHMHUNDXTF-KGLIPLIRSA-N 299.378 0.926 0 50 CCAA Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CNCCO2)CCO1 237686101 VHWDJHYNMHDKPV-LSDHHAIUSA-N 290.363 0.883 0 50 CCAA c1cnc(CN[C@H]2COC[C@H]2Oc2cn[nH]c2)cn1 952849697 FLOPGAOYNFAFAC-NWDGAFQWSA-N 261.285 0.136 0 50 CCAA C=CC(=O)N1CCC(C(=O)N(C)CCNC(C)=O)CC1 1875365894 DVPWUAXXKWHDAU-UHFFFAOYSA-N 281.356 0.006 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)C1C[C@@H]2COC[C@H]2C1 1875304279 FXWYDWWDBVQHFQ-HKLHZYFVSA-N 279.336 0.884 0 50 CCAA N=c1cc(CC(=O)NCc2ccc(CN)cc2F)cc[nH]1 1875340776 QZCPYYRDCVJHQE-UHFFFAOYSA-N 288.326 0.951 0 50 CCAA CCOCCON1C(=O)N[C@@H](CCSC)C1=O 1775988896 OMCWXBOWXOGPHK-QMMMGPOBSA-N 262.331 0.628 0 50 CCAA COc1ccnc(N2CCC[C@@H](c3nc(=N)n(C)[nH]3)C2)n1 1776006178 RWZCSTMXQDFJSP-SECBINFHSA-N 289.343 0.410 0 50 CCAA O=C(O)CCC(=O)N1CCC[C@H](CN2CCOCC2)C1 426615428 JTPZEQCFVBZTFS-GFCCVEGCSA-N 284.356 0.422 0 50 CCAA CC(C)[C@H](CNC(=O)c1cccc(N)n1)N(C)C 379151469 IWFRZBWTFICYIU-NSHDSACASA-N 250.346 0.980 0 50 CCAA O=C(N[C@H]1CCCCNC1=O)c1ccnn1CC1CC1 2325781329 FCAORJXHGMFDHD-NSHDSACASA-N 276.340 0.692 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)NCCCc2ccccn2)C1 2356142211 IVZDFJBLSDVTMN-ZIAGYGMSSA-N 277.368 0.443 0 50 CCAA O=S(=O)(NCc1ccc2c(c1)OCO2)N1CCCC1 8714529 FPLRWGOTFNSNJK-UHFFFAOYSA-N 284.337 0.846 0 50 CCAA O[C@H]1CN(CCc2ccccc2)C[C@@H]1N1CCOCC1 23372937 MPNDLSIIGUHRMX-HOTGVXAUSA-N 276.380 0.606 0 50 CCAA CN1CCNC(=O)C12CCN(c1ccc(Cl)nn1)CC2 67834020 OWBUTQQNLSOXEY-UHFFFAOYSA-N 295.774 0.531 0 50 CCAA CCc1cc(C(=O)NCCc2cc(=O)[nH]cn2)n(C)n1 23544222 SYSWSNHAGDHATN-UHFFFAOYSA-N 275.312 0.038 0 50 CCAA CS(=O)(=O)Nc1cccc(N2C[C@H](C(=O)O)CC2=O)c1 65403324 NWOFWZCQTODQPB-MRVPVSSYSA-N 298.320 0.496 0 50 CCAA CCOc1ccccc1CCNC(=O)[C@@H]1C[C@@H](N)CN1 67490562 BDPMRYGJXMRNEW-OLZOCXBDSA-N 277.368 0.433 0 50 CCAA N[C@@]1(C(=O)O)CCN(Cc2ccc(-n3cncn3)cc2)C1 67880014 LNBNWJURIARJHT-AWEZNQCLSA-N 287.323 0.255 0 50 CCAA COCC1(CNC(=O)C23CNCC2CNC3)CCCC1 65429235 RVMATNHCHDNMGX-UHFFFAOYSA-N 281.400 0.118 0 50 CCAA CCCNC(=O)CN1C(=O)COc2ccc(N)cc21 35453704 FVLPESGHKOHHBV-UHFFFAOYSA-N 263.297 0.520 0 50 CCAA Cn1ccnc1C(=O)N1CCC[C@@H](c2ncn[nH]2)C1 215122482 KZGNYGGCHPTDFO-SECBINFHSA-N 260.301 0.558 0 50 CCAA Cc1nc(=O)c(CC(=O)NCC2(C)CCOCC2)c(C)[nH]1 215686522 RUXLPXIVVUGTRQ-UHFFFAOYSA-N 293.367 0.862 0 50 CCAA CSc1c(C(=O)N2CCOC[C@@]23CCOC3)cnn1C 328694619 GBUCRDKZTHHFMM-ZDUSSCGKSA-N 297.380 0.774 0 50 CCAA CNC(=O)CC(=O)N1Cc2ccccc2OC[C@H]1C 336075504 KXVHWPREMSQIPT-SNVBAGLBSA-N 262.309 0.932 0 50 CCAA Cc1nn(C[C@H]2CCCS(=O)(=O)C2)c(=O)s1 329019865 SDKGAQDHZTZBJE-MRVPVSSYSA-N 262.356 0.438 0 50 CCAA CN(C)C(=O)CN1CC[C@@]2(CCCO2)CCC1=O 72165494 YCRGBVKGGVFEED-CYBMUJFWSA-N 254.330 0.636 0 50 CCAA Cc1nc([C@@H](C)NC(=O)CCN2CCCC2)n[nH]1 216307733 FJQAAVDRTLJLNR-SECBINFHSA-N 251.334 0.776 0 50 CCAA CC(C)n1cc(C(=O)N(C)C[C@H]2COCCO2)cn1 77378610 HOAAPINXJWOWGS-LBPRGKRZSA-N 267.329 0.951 0 50 CCAA O=C(CCc1cccnc1)N1CC[C@H](CO)[C@H](O)C1 72124067 YVPGKCXGWIDMFR-CHWSQXEVSA-N 264.325 0.216 0 50 CCAA Cc1n[nH]c(=N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)o1 376236717 JNVUYGRZRDLDAW-SECBINFHSA-N 286.357 0.168 0 50 CCAA O=S1(=O)C=C(c2ccccc2)S(=O)(=O)CC1 34113996 GABNAHQQEVWYNS-UHFFFAOYSA-N 258.320 0.828 0 50 CCAA N=C(O)[C@H](c1ccccc1)N1CCN2C(=O)NC(=O)[C@@H]2C1 332576891 GRPHMTWUSQMAKG-QWRGUYRKSA-N 288.307 0.499 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2cc(-c3ccco3)[nH]n2)CCO1 238128901 QJBVRCQHNRFTMU-LLVKDONJSA-N 291.263 0.595 0 50 CCAA Cc1nc(CN2CC[C@H]3NCCC[C@]3(CO)C2)co1 72148402 KVEUUBJSMHDSFL-ZIAGYGMSSA-N 265.357 0.919 0 50 CCAA C[C@H](C(=O)N1CCC12CCC2)N1CCN(C)CC1 335718871 YIANQAASNVUIIL-GFCCVEGCSA-N 251.374 0.777 0 50 CCAA O[C@]1(Cn2ccnn2)CCCN(Cc2cc[nH]n2)C1 284430137 APIJNSTZGOIHKQ-GFCCVEGCSA-N 262.317 0.028 0 50 CCAA COCC[C@H](C)S(=O)(=O)N[C@H]1CCCNC1 240412868 FOLGPBXBBJWGAF-UWVGGRQHSA-N 250.364 0.083 0 50 CCAA Nc1nc(NCCN2CCCC2)cc(C2CC(N)C2)n1 222224162 WSAPDHYCDIHOKV-UHFFFAOYSA-N 276.388 0.771 0 50 CCAA CN(CCO)CC(=O)NCc1ccnc2ccccc12 223650305 YJUSYSYBKYVPLE-UHFFFAOYSA-N 273.336 0.775 0 50 CCAA CN1CCCC[C@@H]1CC(=O)NCCn1cncn1 426618119 KTBFAMATKYBKLY-LLVKDONJSA-N 251.334 0.269 0 50 CCAA Cc1nc(C(C)C)oc1CNC(=O)[C@@H]1CN(C)C(=O)N1 615155566 HULKQPHQAADAEH-VIFPVBQESA-N 280.328 0.746 0 50 CCAA NC[C@@H]1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 178542389 OZYCPRPBKKHTBL-JTQLQIEISA-N 289.314 0.827 0 50 CCAA Cn1ccc2c(C(=O)NC[C@@H]3CNCCO3)cccc21 97492425 UQLRLDIDTBCBAO-NSHDSACASA-N 273.336 0.897 0 50 CCAA Cc1nn(C)c(C)c1NC(=O)NCCCn1cnnc1 96132562 BWHKQWUHFHVUEF-UHFFFAOYSA-N 277.332 0.840 0 50 CCAA Cc1nc(CC(=O)N2C[C@H](CO)[C@H](CN(C)C)C2)cs1 91871450 AAWRXGVBDUVRDH-VXGBXAGGSA-N 297.424 0.623 0 50 CCAA Cc1nc(CN2CC[C@](C)(O)[C@@H](O)C2)c2ccccn12 96148821 SBCKCEOGXXMYKU-GJZGRUSLSA-N 275.352 0.960 0 50 CCAA CC1(C)CN(C(=O)CCc2ccc(=O)[nH]n2)C[C@]1(C)O 91894888 VGJWHOXQCAPTRM-AWEZNQCLSA-N 279.340 0.322 0 50 CCAA CO[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1c1cnn[nH]1 622167778 GEFPUTBBADRJSF-CMPLNLGQSA-N 275.312 0.696 0 50 CCAA COCCC1(C(=O)N2CCO[C@H](C(=O)O)C2)CCC1 299743364 KOQAKIXIVPGESF-JTQLQIEISA-N 271.313 0.505 0 50 CCAA CCN1CCN(CC(=O)NC2(CO)CCCC2)CC1 352416664 IGMKOCMUZZDVCJ-UHFFFAOYSA-N 269.389 0.045 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCC[C@@H](CCN)C2)cn1C 534655127 HFCBQBUVHWSUHU-LBPRGKRZSA-N 277.368 0.895 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)ccc1Cl 1940195210 OWFPUQPUCFVFOI-FDYHWXHSSA-N 297.738 0.905 0 50 CCAA OCC1CCN(CCN=c2cc[nH]cc2F)CC1 828719657 SABQVVGRPAYRLP-UHFFFAOYSA-N 253.321 0.759 0 50 CCAA COCCCn1cnnc1CNC(=O)c1nc(C)c[nH]1 584890013 OWSUVXZGRMNSJQ-UHFFFAOYSA-N 278.316 0.276 0 50 CCAA Cc1ncc(C(=O)N2C[C@H]3CCC[C@@]3(N)C2)c(N)n1 1344103347 ZUHFZYWHRSZQTM-NOZJJQNGSA-N 261.329 0.321 0 50 CCAA C=CC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 1353214962 OMYHFJZRGVFGIE-ZDUSSCGKSA-N 274.368 0.894 0 50 CCAA CN1CCN(C2CCN(C3CCNCC3)CC2)CC1 72099160 VVNRVKMOTTTYKS-UHFFFAOYSA-N 266.433 0.450 0 50 CCAA in-vitro Cc1ccn2nc(C(=O)N[C@H]3CCNC[C@@H]3O)cc2c1 1565510674 PLKVPMGLPJAJHO-AAEUAGOBSA-N 274.324 0.095 0 50 CCAA CN(C)C1CN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 275695298 FIGOAGIHUOSNSS-QWHCGFSZSA-N 278.356 0.270 0 50 CCAA Cc1ccnc2nc(C(=O)NC3(c4nnc[nH]4)CCC3)nn12 276488781 NFGOFNPUHLOBBA-UHFFFAOYSA-N 298.310 0.360 0 50 CCAA O=C(N[C@@]1(CCO)CCOC1)c1cc(O)nc(C2CC2)n1 578452029 XEGGERLBAPYDBV-AWEZNQCLSA-N 293.323 0.331 0 50 CCAA CC(C)(NC(N)=O)c1cn(CCc2cccnc2)nn1 641029261 FCQPKXCGDSQNSF-UHFFFAOYSA-N 274.328 0.819 0 50 CCAA Cc1nc(CNC(=O)N2CC[C@H](C)[C@H]2CO)no1 190602879 RJMIIQRTWFPJIF-IONNQARKSA-N 254.290 0.290 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@]2(CC(=O)O)CCOC2)o1 584588851 HKMRTFRALQZKBL-NSHDSACASA-N 289.309 0.500 0 50 CCAA CSC[C@H](C)C(=O)N[C@H]1CS(=O)(=O)C1(C)C 585129927 BXKQRPMULJNLNY-YUMQZZPRSA-N 265.400 0.677 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N[C@@H]1CNCC[C@H]1C 193406454 FCBCVFWLGWWMKD-GMSGAONNSA-N 273.358 0.568 0 50 CCAA c1cnc2nc(N3C[C@H]4COC[C@@H](C3)O4)ccc2n1 566902304 PRIDSQXFMLPKGW-AOOOYVTPSA-N 258.281 0.629 0 50 CCAA OC[C@H]1CN(Cc2nnc(C3CC3)o2)CC[C@@H]1O 687821756 GCPKGQUEPRYVTJ-ZJUUUORDSA-N 253.302 0.122 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@]12C[C@H]1COC21CCC1 887124290 YHSAIEDSFRFTQG-IINYFYTJSA-N 264.325 0.459 0 50 CCAA CCn1nnc(C)c1CS(=O)(=O)c1cccnc1 1644249169 LBMIQOLCRSQKGU-UHFFFAOYSA-N 266.326 0.975 0 50 CCAA CNc1ccnc(NC[C@@H]2CC(=O)N(CCOC)C2)n1 1506401758 LPEDVSQPGOAOSH-JTQLQIEISA-N 279.344 0.425 0 50 CCAA C[C@@H](C(=O)N1CCCN(CCCO)CC1)N1CCCCC1 1529099173 SGSHQCSGRNNAJP-HNNXBMFYSA-N 297.443 0.778 0 50 CCAA CCc1c(C)noc1NC(=O)CCS(C)(=O)=O 1529191186 UBBPWEYQKJJHMQ-UHFFFAOYSA-N 260.315 0.919 0 50 CCAA CN(C(=O)c1cccn1C)C1CCN(S(C)(=O)=O)CC1 408033295 KDTHKODCTDMEHK-UHFFFAOYSA-N 299.396 0.521 0 50 CCAA NS(=O)(=O)c1cnc(N2CCC[C@@H](F)C2)s1 408226373 NLHDYZDQNKNQSI-ZCFIWIBFSA-N 265.335 0.729 0 50 CCAA C[C@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)Cc1ccon1 424388521 HFQWVFXYIFPLAK-IUCAKERBSA-N 288.325 0.690 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ncccc1O 330587430 OGCLTJKGOFUPEL-VHSXEESVSA-N 266.297 0.663 0 50 CCAA CCn1cncc1S(=O)(=O)N(CCO)CC(F)F 331096172 LURNRWZQWFSOGI-UHFFFAOYSA-N 283.300 0.151 0 50 CCAA COCCN1CCN(C(=O)c2ccoc2)CC1=O 120901193 JGHHASRBQQOPBM-UHFFFAOYSA-N 252.270 0.210 0 50 CCAA O=C(CN1CCOCC1)NC[C@H]1COc2ccccc2O1 19782537 NVLDOSSLYVAJCV-LBPRGKRZSA-N 292.335 0.275 0 50 CCAA Cc1ccc2nc[nH]c(=NCC[C@@H]3CNCCO3)c2n1 1857698164 GGTHBSKXQVPZPG-LLVKDONJSA-N 273.340 0.546 0 50 CCAA CC(=O)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 1857731330 PRAUCWGWWUHKDP-QWRGUYRKSA-N 296.348 0.347 0 50 CCAA Cc1cc(C)c(C(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc1C 1875246166 JKBVDEVIIOHMPR-GBJTYRQASA-N 291.347 0.869 0 50 CCAA N[C@@H](CC(=O)N(C[C@H]1CCCN1)C1CC1)C1CC1 328655439 YKLJOCADAJLRCB-YPMHNXCESA-N 251.374 0.857 0 50 CCAA CS(=O)(=O)CCN1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 247515593 JTCIPOHOZAEGRD-OLZOCXBDSA-N 297.376 0.831 0 50 CCAA CCCCNC(=O)[C@H](C)N1CC[C@](O)(Cn2ccnn2)C1 585081585 SWEIXEUKSCLNTN-GXTWGEPZSA-N 295.387 0.020 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)NC1CCNCC1 911630189 PVSIYNNMKHCATB-MRXNPFEDSA-N 289.379 0.664 0 50 CCAA O=C(NCCn1cnccc1=O)c1cnn(C2CCC2)c1 823635409 YRARCQQSVXAXOQ-UHFFFAOYSA-N 287.323 0.595 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1ccc(-n2cccn2)nc1 840944327 UDPAKWPMWKNURJ-PHIMTYICSA-N 286.291 0.860 0 50 CCAA O=S(=O)(NCC1(c2ccccc2)CC1)c1nc[nH]n1 1875290706 YHXVJKJMXLDNGG-UHFFFAOYSA-N 278.337 0.815 0 50 CCAA CC1(CO)CN(c2ccc(S(N)(=O)=O)cc2Cl)C1 1875275817 UIRALKJGKZYSIH-UHFFFAOYSA-N 290.772 0.806 0 50 CCAA C[C@H]1C[C@@H]1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875332871 OPUGXKWEMKMLCL-IQQLRLJASA-N 271.338 0.264 0 50 CCAA CN(C)C/C=C/C(=O)NCCn1cc([C@H]2CCOC2)cn1 1875377109 SJIGBWIQGKPYEM-OOPCZODUSA-N 292.383 0.621 0 50 CCAA Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2[C@H](C(=O)O)[C@@H]2C1 1774233779 ITXUCSNWKHDGSV-KSLZLVKMSA-N 289.335 0.703 0 50 CCAA COC[C@H](C)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 263155106 PWWDGQNYQSWZKL-HRDYMLBCSA-N 265.331 0.004 0 50 CCAA O=C(Nc1ccc(-n2cncn2)cc1)[C@H]1CNCCO1 43716278 OMGOTFCVVMSRHS-GFCCVEGCSA-N 273.296 0.194 0 50 CCAA O=C1[C@@H](N2CCc3ccnc(O)c3C2)CCN1C1CC1 330250191 GSJMAWFALIEIOG-ZDUSSCGKSA-N 273.336 0.909 0 50 CCAA CN1CCC(O)(CNc2ncc(Cl)cn2)CC1 397493018 MPQLUJMVLDHJMA-UHFFFAOYSA-N 256.737 0.999 0 50 CCAA CC(C)Oc1cccc(C(=O)N=c2nn[nH]n2C)n1 904195640 VNDOPUJPELHWCP-UHFFFAOYSA-N 262.273 0.067 0 50 CCAA CCCn1c2c(c(=O)n(CC)c1=O)SCC(=O)N2 1696310 KFMXTNPXSBTKQV-UHFFFAOYSA-N 269.326 0.484 0 50 CCAA COCc1noc(CN2C[C@H]3COC[C@@]3(COC)C2)n1 2356139124 BHOPBUDSCKQZLN-GWCFXTLKSA-N 283.328 0.311 0 50 CCAA O=S(=O)(NN1CCOCC1)c1ccc(Cl)s1 2697758 XQXDYDLGBZVJRE-UHFFFAOYSA-N 282.774 0.927 0 50 CCAA COCCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C 2852408 NVCRLMLPPUHZHI-WDEREUQCSA-N 256.346 0.834 0 50 CCAA COc1cncc(S(=O)(=O)NC[C@@]2(C)CCC(=O)N2)c1 416501711 MNWCVJYFHHTDDB-GFCCVEGCSA-N 299.352 0.037 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ncccn2)C1 249385177 ZAUQRGYUJKRESK-HBNTYKKESA-N 290.323 0.282 0 50 CCAA CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cnn(C)c1 247166179 QUMARUPNGVWXME-RYUDHWBXSA-N 298.412 0.667 0 50 CCAA CN(C[C@@H](O)CO)C(=O)C1(N2CCCCC2)CCCCC1 65466903 NKYISSRCVMLSJR-CQSZACIVSA-N 298.427 0.987 0 50 CCAA Cc1ccccc1C(=O)NCCN1CCN(C)CC1 20819460 VQSPYVIPIAFYAS-UHFFFAOYSA-N 261.369 0.972 0 50 CCAA O=C(CSc1ncccn1)N1[C@H]2CC[C@@H]1CCNC2 65461702 AIAYSOQJHNNBBD-MNOVXSKESA-N 278.381 0.922 0 50 CCAA CC(C)Cc1ncc2c(n1)CN(C(=O)Cn1cncn1)C2 67459295 MBQIWGCNDHVWSN-UHFFFAOYSA-N 286.339 0.809 0 50 CCAA CSCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O 32136548 HHWPNWJXRZDOJS-RYUDHWBXSA-N 278.377 0.965 0 50 CCAA C[C@H]1C=C[C@]2(O)C(=O)OC[C@@H]2CC2(C1)OCCO2 38418859 JQHYAFOOPPKHKF-OUJBWJOFSA-N 254.282 0.620 0 50 CCAA COc1ccc(O)c(C(=O)N[C@H]2CNC(=O)C2)c1 230655499 XGMIQCAZOUYHTL-SSDOTTSWSA-N 250.254 0.019 0 50 CCAA Cn1nnc2c1C[C@@H](C(=O)N1CCC[C@@H]1CF)CC2 329302213 NHQOFJQFPDTMCR-VHSXEESVSA-N 266.320 0.881 0 50 CCAA Cn1ccnc1[C@H]1CNCCN1S(=O)(=O)c1ccco1 253415946 DXZLNDNKHLBFII-SNVBAGLBSA-N 296.352 0.348 0 50 CCAA CN1C[C@]2(CCN(C(=O)c3[nH]nc(N)c3Cl)C2)OC1=O 215680297 NAFFIMCKBURRNU-NSHDSACASA-N 299.718 0.312 0 50 CCAA NC(=O)c1cccnc1N1CCO[C@H](C(F)(F)F)C1 71575275 HEKFOOGVOSPFKS-QMMMGPOBSA-N 275.230 0.948 0 50 CCAA Cc1nccc(CCC(=O)N2CC3(CCOC3)C2)n1 329655656 MJNNQFFDZXCODS-UHFFFAOYSA-N 261.325 0.967 0 50 CCAA COCCN(Cc1nccs1)C[C@]1(O)CCNC1 72408929 PGRIIUWGLDRWCB-LBPRGKRZSA-N 271.386 0.316 0 50 CCAA Cc1cc(C(F)(F)F)nc(N2CCO[C@H](C(N)=O)C2)n1 361018986 QPBAFKBGXDOXJE-ZETCQYMHSA-N 290.245 0.494 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2cn(C)cn2)N(C)C1 330554564 GRHHSZQXBYHVTD-QWRGUYRKSA-N 266.345 0.211 0 50 CCAA CC(=O)N1CC[C@](C)(C(=O)N2CC(=O)N(CC3CC3)C2)C1 365102746 XCXDVCHMIBPUPY-HNNXBMFYSA-N 293.367 0.283 0 50 CCAA CCOC1CC(N(C)C(=O)N2CCS(=O)(=O)CC2)C1 332427241 HWPOSTBXSAHUOE-UHFFFAOYSA-N 290.385 0.336 0 50 CCAA Cc1nc[nH]c1C(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 72135432 MUIBMGHKNYIVEU-LBPRGKRZSA-N 264.285 0.385 0 50 CCAA C[S@](=O)C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)O)c1ccccc1 262397874 LRPIEWJRSWYYFB-LCCANLFKSA-N 295.360 0.943 0 50 CCAA CCCc1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(N)=O)no1 82097132 GGRHHGSRSUJGGK-JTQLQIEISA-N 291.311 0.177 0 50 CCAA CCCCCNC(=O)C(=O)N[C@H](C)Cn1cccn1 241720822 QSNCUPZETKWHQI-LLVKDONJSA-N 266.345 0.694 0 50 CCAA O=C(COCc1ccccc1)N[C@@H]1CCOC[C@H]1O 223884470 YYKSYCUXQNZGFW-CHWSQXEVSA-N 265.309 0.469 0 50 CCAA Cc1ccc(C(=O)NCCc2csc(N)n2)c(=O)n1C 426701550 DRKHJFMPEGWKMV-UHFFFAOYSA-N 292.364 0.705 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)[C@@H]1CCCCO1 228509984 ASNQJBJUPMRTGE-JTQLQIEISA-N 258.318 0.030 0 50 CCAA CC(=O)N[C@@H](C(=O)NCCc1nc(C)cc(C)n1)C(C)C 221358468 IYEGQFXXEFEZBG-CQSZACIVSA-N 292.383 0.913 0 50 CCAA CCc1cc(C(=O)NC[C@H]2CCCNC2)cc(=O)[nH]1 97696231 KMEXAUCXMHHHKR-JTQLQIEISA-N 263.341 0.667 0 50 CCAA CC(C)N1CCC[C@H](C(=O)NCCc2cc(=O)[nH]cn2)C1 95518181 NTMCHZUIDMLJRO-LBPRGKRZSA-N 292.383 0.549 0 50 CCAA O=C(NCCc1cscn1)[C@H]1CC(=O)N(C2CC2)C1 91270452 YDVASSVQEUUQHF-VIFPVBQESA-N 279.365 0.813 0 50 CCAA CSCC(=O)N[C@H](C1CCNCC1)[C@H]1C[C@@H](O)C1 244691675 JHBOJBPQYGYTEO-NTZNESFSSA-N 272.414 0.605 0 50 CCAA CCn1nnc(C)c1C(=O)NCCn1cnnc1C(C)C 622381408 OFHNOGQSHSPIIR-UHFFFAOYSA-N 291.359 0.751 0 50 CCAA O=C(CCCn1cnnn1)Nc1cccc(-c2nc[nH]n2)c1 524733435 RJVHQBIQHRCXKH-UHFFFAOYSA-N 298.310 0.877 0 50 CCAA C[C@@H](NC(=O)[C@@H](C)OC[C@@H]1CCCCO1)C(=O)O 299751896 SGFDBDXBIHZALF-BBBLOLIVSA-N 259.302 0.550 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)c1cn2cccnc2n1 299743637 LVESVURDJXLNIC-VIFPVBQESA-N 260.253 0.419 0 50 CCAA Cc1csc(CCN[C@H](C)CN(C)CCO)n1 534669312 UOPMNRJWFMWIJP-SNVBAGLBSA-N 257.403 0.896 0 50 CCAA CN1CCC(n2nnc3c2C[C@@H](C(=O)O)CC3)CC1 536948776 VAOLQPXWZUYMTR-VIFPVBQESA-N 264.329 0.734 0 50 CCAA Cc1nc(C(C)C)sc1CNC(=O)Cn1ncnn1 299779239 UULCDEKUTHFJSO-UHFFFAOYSA-N 280.357 0.878 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)CCc2ccc(C)cc2)CN1 299771576 UGSKKCDMNWXQJG-KBPBESRZSA-N 290.363 0.947 0 50 CCAA CC(C)c1cnc(NC[C@@H]2CN(C)C(=O)CO2)nc1 822273333 PZSWTORRGPZIQA-LLVKDONJSA-N 264.329 0.869 0 50 CCAA CN(CCS(C)(=O)=O)C[C@@H]1CC(=O)N(C(C)(C)C)C1 670438594 WESNAYCJJZOKAF-NSHDSACASA-N 290.429 0.610 0 50 CCAA CCN(CCN1CCOCC1)C(=O)c1cncn1C 952968393 CBDAJMUOSQLNGR-UHFFFAOYSA-N 266.345 0.214 0 50 CCAA COCc1cccc(C(=O)N[C@H]2CCOC[C@@H]2O)n1 1565510738 WTICDRKRPXMQET-JQWIXIFHSA-N 266.297 0.108 0 50 CCAA Cc1cccc(S(=O)(=O)NC(=O)C2(C)COC2)c1 408440491 CJGUEOMYYLJUCT-UHFFFAOYSA-N 269.322 0.836 0 50 CCAA Cn1cc([C@@H]2CSCCN2CC(=O)NC2CC2)cn1 170612052 JBMOHQFEAKMUJG-LBPRGKRZSA-N 280.397 0.789 0 50 CCAA COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cccn1C 562026990 LKVMBAHQMDJMRV-GFCCVEGCSA-N 287.319 0.934 0 50 CCAA CCN(CCS(C)(=O)=O)C/C(C)=C/C(=O)OC 585116606 CLKNHLRISNHTDM-CSKARUKUSA-N 263.359 0.472 0 50 CCAA Cc1cc(CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)ccc1F 585116761 HQVXAPGZSPIOGF-GHMZBOCLSA-N 279.315 0.153 0 50 CCAA COC(=O)c1sc(NC(=O)[C@@H](C)CN)nc1C 566193761 KLHHUEBBCDYWIR-YFKPBYRVSA-N 257.315 0.771 0 50 CCAA NC(=O)N1CC[C@H](NC(=O)[C@]2(C(=O)O)CC=CCC2)C1 653305518 NYDDRGUIVQIKPC-ZANVPECISA-N 281.312 0.067 0 50 CCAA CN(C)C[C@]1(O)CCN(c2ccc3nccnc3n2)C1 713677596 NOOAUBGSQDFRHA-CQSZACIVSA-N 273.340 0.528 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ccc(OC)nc1 659172467 JDRAWQGBLHFLTQ-AWEZNQCLSA-N 294.307 0.796 0 50 CCAA CC[C@]12C[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1772815952 DZXWXPQYWOBFDB-QMTHXVAHSA-N 277.324 0.516 0 50 CCAA Cn1c(=O)n(CC(=O)N2CCOCC2)c2ccccc21 542196 GPFXJBJXDLDKIJ-UHFFFAOYSA-N 275.308 0.199 0 50 CCAA Cc1c(-c2ccccc2)noc1NC(=O)[C@@H](N)CO 1529166873 BQEFYWWSKMPCFZ-JTQLQIEISA-N 261.281 0.908 0 50 CCAA CCOC(=O)CNC(=O)Cc1ccc(OC)c(OC)c1 2736624 LCEPJZFLVCVWQH-UHFFFAOYSA-N 281.308 0.926 0 50 CCAA CC(C)[C@@H](NC(=O)Cc1ccccc1C(=O)O)C(N)=O 225887719 IVTFRJCNXSEOOW-GFCCVEGCSA-N 278.308 0.553 0 50 CCAA O=C(CNC1CC1)N[C@@H]1COC[C@H]1Cc1ccncc1 1704352349 DOBNUPDEZBVRLE-TZMCWYRMSA-N 275.352 0.507 0 50 CCAA CCSCC(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704354121 SQPQPNYKCKPHKM-ZYHUDNBSSA-N 281.381 0.592 0 50 CCAA CC1(C)OC[C@@H]2O[C@@]3(CO)OC(C)(C)O[C@H]3[C@@H]2O1 1608611 GQXSDDHYUVYJCQ-NHRVJRKFSA-N 260.286 0.377 0 50 CCAA in-vitro CO[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CNCCCO2)C1 333847309 PILDSUYCDXSWBQ-TUAOUCFPSA-N 271.361 0.184 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCNC[C@](C)(F)C2)o1 334966780 FVXVZMKJESCRSB-NSHDSACASA-N 276.333 0.910 0 50 CCAA Cc1ncsc1CNC(=O)[C@@H]1CCNC(=O)C1 155292871 ABKBDMPNGBOCLQ-MRVPVSSYSA-N 253.327 0.594 0 50 CCAA O=C(CC1=CCCC1)N1C[C@H]2[C@H](C1)C2(CO)CO 1772706516 SMZYQCMQGJYMJX-RYUDHWBXSA-N 251.326 0.546 0 50 CCAA CC(C)(C)CN1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)CC1=O 11818361 GGQMKKAUWGZWJV-LBPRGKRZSA-N 291.351 0.697 0 50 CCAA NC(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 12858159 FVVCPKRPYUUAFA-UHFFFAOYSA-N 277.309 0.634 0 50 CCAA CCN(C[C@H](O)COc1ccccc1)S(=O)(=O)O 16667267 CCBRZJBAAKXFGU-JTQLQIEISA-N 275.326 0.551 0 50 CCAA CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)CC1=O 18190839 KSKWGMNRWCYVAT-OCAPTIKFSA-N 256.254 0.277 0 50 CCAA Cc1cccnc1N1CCN(CCn2cncn2)CC1 19837291 WVTOFKUMVQZQSE-UHFFFAOYSA-N 272.356 0.804 0 50 CCAA CC[C@H]1C[C@@H](O)CC2(CCN(CC(=O)NC)CC2)O1 1857670974 KINPYRYBQPHSJE-NEPJUHHUSA-N 270.373 0.517 0 50 CCAA O=C(CCCn1cccn1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857707835 LSQZXRIOAVMHGS-RDBSUJKOSA-N 293.367 0.662 0 50 CCAA O=C([C@@H]1C[C@]12CCOC2)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 329076133 CDGIBUFZSUBUFX-AQRJEWBLSA-N 295.379 0.801 0 50 CCAA O=C(O)CNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 238191600 ACPPKMFRAYDYHH-SNVBAGLBSA-N 296.710 0.894 0 50 CCAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H](NC(N)=O)C(C)(C)C 375130318 IJGUOKDCVBPLOE-UTUOFQBUSA-N 296.415 0.765 0 50 CCAA COCCNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 4867070 RVSLWHUUHIWBRA-UHFFFAOYSA-N 272.326 0.019 0 50 CCAA CCn1nc(C)c(CN2CCC[C@]2(COC)C(N)=O)n1 818188995 TXSWNRBMLZNNKC-ZDUSSCGKSA-N 281.360 0.073 0 50 CCAA Cc1[nH]ccc1C(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 818316837 GIZXEGFYAKRDEF-SECBINFHSA-N 289.295 0.700 0 50 CCAA C[C@@H](O)[C@@H](CO)NC(=O)c1cc2nccnc2cc1F 822538736 YFOFGAUXYJFBJH-JMCQJSRRSA-N 279.271 0.240 0 50 CCAA O=C1CCc2c(cccc2C(=O)N2C[C@H]3C[C@]3(O)C2)N1 1875294995 AKWIKXTZFOTZML-PSLIRLAXSA-N 272.304 0.778 0 50 CCAA CS(=O)(=O)NC[C@@H]1CCN(c2cccc(C(=O)O)n2)C1 1875269717 NDCYOBZTJWTLID-VIFPVBQESA-N 299.352 0.155 0 50 CCAA C[C@@H](N)/C=C/C(=O)NC[C@]12OCCC[C@H]1C2(F)F 1875338151 OMMIOQYNOWHWCA-VGJQDVOTSA-N 260.284 0.820 0 50 CCAA CS(=O)(=O)NC(=O)Cc1csc(-c2ccccn2)n1 1875391071 SVUBSHUQDYHCHB-UHFFFAOYSA-N 297.361 0.823 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@@H](OC)C1CC(F)(F)C1 1875370516 RRDYYJIKSXFSSR-SNVBAGLBSA-N 290.310 0.807 0 50 CCAA O=C1C[C@H]2CCCCN2C(=O)[C@H]([C@H]2CCCO2)N1 1875311149 OPVSNUQPVPKFET-FOGDFJRCSA-N 252.314 0.435 0 50 CCAA CN(C)C[C@]1(O)CCN(c2cc(-n3ccnc3)ncn2)C1 895008865 GZSNKLZTRDUWRK-CQSZACIVSA-N 288.355 0.165 0 50 CCAA Cc1nn(C)c2ncc(CN3CC(=O)N[C@@H](C)C3)cc12 294738543 DVXIFNPQXWTMHI-VIFPVBQESA-N 273.340 0.597 0 50 CCAA O[C@@H]1C[C@H]2CN(Cc3nc4ccccc4[nH]3)CCN2C1 405318375 QFMWIKCREHLMJU-NWDGAFQWSA-N 272.352 0.814 0 50 CCAA CCOC(=O)N1CCC(N[C@@H]2CCC(=O)N(C)C2)CC1 84061890 UQBTVORSAGXHMB-GFCCVEGCSA-N 283.372 0.818 0 50 CCAA Cn1nnnc1CN1CCO[C@H](C2CCCCC2)C1 368833874 LJGHLZFIKUCPEG-LBPRGKRZSA-N 265.361 0.991 0 50 CCAA CCC[C@@H](CNc1nccnc1C(=O)O)N(C)C 584902397 XFVLNAAKVUDLFI-VIFPVBQESA-N 252.318 1.317 0 50 CCAA O[C@H]1CN(C2CC(OCc3ccccc3)C2)C[C@H]1O 929771243 MRXCWRBEFKAFTD-ZMYVRHLSSA-N 263.337 0.772 0 50 CCAA CN(Cc1cnccn1)C[C@@H]1CCCS1(=O)=O 929798819 PTMIIPAURHRYAG-NSHDSACASA-N 255.343 0.486 0 50 CCAA O[C@H]1CN(c2cc(-n3ccnc3)ncn2)CC12CC2 1320753436 WBOHAWFAWINNBJ-JTQLQIEISA-N 257.297 0.623 0 50 CCAA O=C(c1cnncc1O)N1CCN[C@@H](c2ccncc2)C1 2325766425 OEMWFNMYEVQSBR-GFCCVEGCSA-N 285.307 0.364 0 50 CCAA C[C@H](F)CNC(=O)CSc1ncnc2[nH]cnc12 2325815465 KRWOWUNVBWCPTM-LURJTMIESA-N 269.305 0.919 0 50 CCAA CCOC(=O)C1=C(CSCC(=O)O)NC(=O)N[C@@H]1C 4207224 XTOJQZXQQAHAFH-ZCFIWIBFSA-N 288.325 0.323 0 50 CCAA COc1nnc(NC(=O)N2CCC[C@H](C(N)=O)C2)s1 225479798 NJEVYKQMBGZHDO-LURJTMIESA-N 285.329 0.276 0 50 CCAA C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccon2)s1 343024198 DCOXRKRROWNOHK-ZETCQYMHSA-N 279.325 0.860 0 50 CCAA CCOC(=O)c1cnc(N2CCC(O)CC2)nc1 66322726 OEAXDUMHYRUYFF-UHFFFAOYSA-N 251.286 0.614 0 50 CCAA COc1cccc(NC(=O)C[C@H]2C(=O)Nc3ncnn32)c1 20719611 ZWXAWSKXXYZDJL-JTQLQIEISA-N 287.279 0.809 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1cccnc1OC 65386995 OBDNHJRDPBGLLV-GXSJLCMTSA-N 294.307 0.229 0 50 CCAA C[C@@H]1CN(C[C@@H](O)c2ccccc2)C[C@@H](CO)O1 230002262 WLOFNQGLIRLDRB-KWCYVHTRSA-N 251.326 0.802 0 50 CCAA CN(C)CC[C@H]1CN(C(=O)CCCc2cn[nH]c2)CCO1 71388785 UWUHLLGTFCQANM-AWEZNQCLSA-N 294.399 0.912 0 50 CCAA CC(C)c1cc(C(=O)N2CC[C@]3(CC(=O)NC3=O)C2)no1 77377485 WQKQTEXGSNJDLU-AWEZNQCLSA-N 291.307 0.677 0 50 CCAA CC(C)C(=O)C(=O)N[C@H](C)C(=O)NCc1ccco1 253424893 MEAJSAYBUMCFDF-SECBINFHSA-N 266.297 0.626 0 50 CCAA COc1cc(C(=O)NC[C@H]2COCCO2)ccc1F 215815559 MACRQBIFIGMBEY-JTQLQIEISA-N 269.272 0.980 0 50 CCAA O=C(NC[C@H]1CCCS1(=O)=O)Nc1cccnc1 152086593 VIWMMRABPWVSLH-SNVBAGLBSA-N 269.326 0.780 0 50 CCAA OC[C@@]12CCC[C@@H]1CN(Cc1cc3n(n1)CCCNC3)C2 72145100 HIORZQDECMYQBD-CJNGLKHVSA-N 290.411 0.971 0 50 CCAA CC(=O)OCc1c(C(C)=O)[n+]([O-])c2ccccc2[n+]1[O-] 71772412 MCCIMDCASSYTJK-UHFFFAOYSA-N 276.248 0.372 0 50 CCAA CN1CCN(c2ncccc2CNC(=O)C2CC2)CC1 299282270 WBYOKLORTHTKPB-UHFFFAOYSA-N 274.368 0.860 0 50 CCAA CCCc1nc(CS(=O)(=O)[C@@H](C)[C@@H](C)O)no1 330928698 XTUIAWNHIFWJTA-SFYZADRCSA-N 262.331 0.706 0 50 CCAA CN(C(=O)c1cncc(-c2ccccn2)c1)[C@@H]1COC[C@H]1O 367841745 LCWDYJLZTNCQIU-HUUCEWRRSA-N 299.330 0.975 0 50 CCAA O[C@]1(CNCCCn2cc(Cl)cn2)CCCNC1 72463257 SXLLKRVNGQBYDQ-GFCCVEGCSA-N 272.780 0.631 0 50 CCAA O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N[C@H]1CCNC1 127367409 JZUKXFSRJPDTGR-NSHDSACASA-N 288.351 0.657 0 50 CCAA O=C(c1ccc(F)cc1O)N1CCC[C@](O)(CO)CC1 216543312 UVJGUQOLYRLJNA-CQSZACIVSA-N 283.299 0.881 0 50 CCAA COc1cc(C)c(C)cc1S(=O)(=O)NCC(N)=O 41406485 NYAWWZFXTHWHHM-UHFFFAOYSA-N 272.326 0.076 0 50 CCAA CCN(CC)CC(=O)N[C@H](C)Cc1cnccn1 221217671 BTUXVTLDKLINQS-LLVKDONJSA-N 250.346 0.866 0 50 CCAA Cc1cnc(C(=O)NC[C@H]2CCCN2c2cccnn2)cn1 241644726 PSYCLWWBQYLBSG-GFCCVEGCSA-N 298.350 0.974 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1CCc2cnccc21 286181786 ZIFKEMUJBJCFAA-UHFFFAOYSA-N 278.337 0.875 0 50 CCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cn(C)cn1)CC2 426478827 AHOGQJPWBSVDFR-VHRBIJSZSA-N 279.340 0.565 0 50 CCAA O=C(CCn1cnnn1)NCc1nc2c(s1)CCCC2 223103142 ISXAGNQGWCYMNN-UHFFFAOYSA-N 292.368 0.715 0 50 CCAA O=C(O)CC[C@@H]1CCCCN1C(=O)NCCn1cncn1 381812687 SHQXXMFVYXYXOH-NSHDSACASA-N 295.343 0.707 0 50 CCAA Cc1cnc(N)nc1N1CCC2(CC1)OCCC[C@@H]2O 95353618 UPXFBRGAHHQKDL-NSHDSACASA-N 278.356 0.878 0 50 CCAA COc1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 95496398 OCVSHUZZYJRPQC-ZDUSSCGKSA-N 290.319 0.659 0 50 CCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc[nH]1)C2 95365786 OGRAUUYZWXHQJP-WDEREUQCSA-N 297.380 0.511 0 50 CCAA COCCN(C)C[C@@H]1CN(Cc2nccn2C)C[C@@H]1CO 92066819 HLASDINQCXNRAD-ZIAGYGMSSA-N 296.415 0.039 0 50 CCAA COCCN1C[C@@H](Cc2nc(OC)cc(OC)n2)CC1=O 244894014 YYKYEVZTCHLGMU-JTQLQIEISA-N 295.339 0.531 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)c2cc(F)ccc2C)[C@H](O)C1 244748767 OOCCMSMTCCEECA-ZIAGYGMSSA-N 294.326 0.846 0 50 CCAA O=C(O)C[C@H](NC(=O)[C@H]1COCCO1)c1cccs1 299749380 KDHDXRHEZNNMIA-DTWKUNHWSA-N 285.321 0.796 0 50 CCAA CN1C(=O)N[C@@H]2CN(C(=O)CC3(O)CCCCC3)CC[C@@H]21 299746515 XXGMQKFYSRMFNI-NEPJUHHUSA-N 295.383 0.696 0 50 CCAA Cn1cc(-c2ccc(NS(C)(=O)=O)nc2)cn1 534591691 PYHLQAKJAONWSZ-UHFFFAOYSA-N 252.299 0.854 0 50 CCAA CN1CCN(CC(=O)NCC2(CN3CCCC3)CC2)C1=O 534592199 NULXUUOMCNNSGM-UHFFFAOYSA-N 294.399 0.346 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N(C)Cc1ncon1 825306484 HJEHEXABEJMJIH-UHFFFAOYSA-N 272.286 0.495 0 50 CCAA CCS(=O)(=O)NCC1(C(F)(F)F)CCNCC1 725264795 XWUSVKQHKXOWMO-UHFFFAOYSA-N 274.308 0.858 0 50 CCAA C[C@@H](CN1CCOCC1)C(=O)NCc1csc(N)n1 827627177 MVPKMTKRCCHNHF-VIFPVBQESA-N 284.385 0.310 0 50 CCAA CS(=O)(=O)CCNC(=O)[C@H](O)c1ccc(F)cc1 828598420 OUEQZNZFHUBRTK-SNVBAGLBSA-N 275.301 0.020 0 50 CCAA O=C1CN(C2CC2)C(=O)[C@H](COCc2ccccc2)N1 828328334 CQLKJNOQIPEQQD-ZDUSSCGKSA-N 274.320 0.693 0 50 CCAA COC(=O)N[C@@H](C)C(=O)N1CCN(CCSC)CC1 670451134 ZWSCKKVYWNHVRE-JTQLQIEISA-N 289.401 0.238 0 50 CCAA CN(C)c1ccc(C(=O)N[C@H]2CCOC[C@@H]2O)cn1 629222476 FSRBOXNGHCELJR-QWRGUYRKSA-N 265.313 0.027 0 50 CCAA CNC(=O)CCc1ccccc1NC(=O)CCNC(C)=O 952965491 DVKLPXZAIYQXIF-UHFFFAOYSA-N 291.351 0.830 0 50 CCAA COc1cccc(C)c1C(=O)NCCN(C)CCO 952974581 JLAIMTNKXUNVHV-UHFFFAOYSA-N 266.341 0.658 0 50 CCAA C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1[nH]nnc1=N 952979521 NJLCUOZTSYRNTN-MRVPVSSYSA-N 294.746 0.959 0 50 CCAA O=C1CCc2c1cccc2C(=O)N[C@H]1CCNC[C@@H]1O 1565517169 KEPQLXCASKKBJY-JSGCOSHPSA-N 274.320 0.268 0 50 CCAA CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 95495741 RWSZJGODBWDBGN-UHFFFAOYSA-N 255.343 0.086 0 50 CCAA in-vitro c1nc(N2CCO[C@@]3(CCOC3)C2)c2cc[nH]c2n1 274444731 VFFQUQLWPLTCHQ-ZDUSSCGKSA-N 260.297 0.954 0 50 CCAA C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)C1(C)CC1 408226676 OUSXUGJAYNKFMS-RMLUDKJBSA-N 253.389 0.568 0 50 CCAA NC(=O)NCCC(=O)N1CCc2ccccc2[C@@H]1CO 274808834 OLIUHQNPCURPMP-LBPRGKRZSA-N 277.324 0.163 0 50 CCAA C[C@@H]1C[C@@H](O)CCN1S(=O)(=O)N1CCCCC1 170091088 PJFILYWDTOQBOG-MNOVXSKESA-N 262.375 0.562 0 50 CCAA Cc1nc(C)c(F)c(N2CCN(CCO)C[C@@H]2C)n1 581767205 FUTLIDBQLOYXRV-VIFPVBQESA-N 268.336 0.735 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)c1cc[nH]n1 583650512 TWEIGCDHMAOCEI-SSDOTTSWSA-N 283.357 0.800 0 50 CCAA Cc1nc(CN[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)no1 583620126 BEYWHNMBXFEGEY-RISCZKNCSA-N 287.323 0.835 0 50 CCAA CC[C@H](NC(=O)c1ccc2c(c1)B(O)OC2)C(F)(F)F 584980004 NGXVIGPUJROGOS-JTQLQIEISA-N 287.046 0.975 0 50 CCAA Cc1nonc1CON1C[C@@H](C(=O)OC(C)(C)C)CC1=O 585122917 INYGMBYOJBYKQE-VIFPVBQESA-N 297.311 1.000 0 50 CCAA CC1(C)CCCC[C@H]1C(=O)NCCS(N)(=O)=O 192586648 ITDLWGKJZRWAJF-VIFPVBQESA-N 262.375 0.608 0 50 CCAA C[C@@](NC(=O)CCC(=O)O)(C(=O)O)c1ccccc1 663141877 PGYBBNPNHWMPKT-ZDUSSCGKSA-N 265.265 0.967 0 50 CCAA COC[C@H](C)S(=O)(=O)NC(=O)[C@@H]1CCCO[C@H]1C 791810922 VITLFGGFYOTKMT-LPEHRKFASA-N 279.358 0.282 0 50 CCAA CCc1cc(CC(=O)N2C[C@@H]3CCC[C@@]3(N)C2)n(C)n1 1615545043 FKWBUHCJTIUING-XHDPSFHLSA-N 276.384 0.865 0 50 CCAA CN(CC(C)(C)O)C(=O)[C@H]1CCn2cncc2C1 408135464 YKDJCBZDSHNUHJ-JTQLQIEISA-N 251.330 0.675 0 50 CCAA C[C@H](O)[C@H]1C[C@H](C)CCN1S(=O)(=O)c1ccnn1C 408425998 ILANNUFWZGQXCD-OUAUKWLOSA-N 287.385 0.590 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1nc(C)c(C)o1 643825409 PAPKGJMEPRLIQN-CYBMUJFWSA-N 267.329 0.758 0 50 CCAA Cn1ncn(Cc2nc(CC(F)(F)F)no2)c1=O 332686892 JHFGDCKQBASKBI-UHFFFAOYSA-N 263.179 0.118 0 50 CCAA Cc1nsnc1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 1857694992 OLIFEROJWLIHQC-IUCAKERBSA-N 268.342 0.002 0 50 CCAA Cn1cccc1C(=O)N1CCN([C@H]2CCOC2)CC1 363545191 LNBDMQGYVJWNBU-LBPRGKRZSA-N 263.341 0.572 0 50 CCAA CN1CCO[C@@H](C(=O)N(C)C[C@H]2CCc3nccn3C2)C1 328623150 IYFVVQYTPPMZQJ-CHWSQXEVSA-N 292.383 0.235 0 50 CCAA O=C(Cc1ccccc1Cl)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875241438 WOSYBCXCMOOUQM-OIMNJJJWSA-N 297.738 0.526 0 50 CCAA Cc1cc(N2CCC(O)(CN)CC2)n2nc(C)nc2n1 905640278 HYGFURQFCXYPHH-UHFFFAOYSA-N 276.344 0.031 0 50 CCAA COc1nccc(C(=O)N2CCC[C@H](n3cncn3)C2)n1 931988674 DVQKUMOMIOYHSE-JTQLQIEISA-N 288.311 0.554 0 50 CCAA C=CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 848978923 BRMKVQYNOIAGPQ-NSHDSACASA-N 252.314 0.270 0 50 CCAA CC(C)c1nc(CNC(=O)[C@H]2C[C@@H](O)CN2)cs1 236842371 ADDAGWYQUKNMLO-NXEZZACHSA-N 269.370 0.606 0 50 CCAA CN(C)c1ccc(C(=O)N2CCOC[C@H]2C(=O)O)nc1 1875267346 NUDYUFHEEIOTES-NSHDSACASA-N 279.296 0.073 0 50 CCAA c1nc(CN=c2[nH]nc3n2CCCC3)cc2c1OCCO2 1875283855 FUOKRCJLIDNGBV-UHFFFAOYSA-N 287.323 0.815 0 50 CCAA C=CC(=O)N1CCC[C@@H](c2nn(C)cc2C(N)=O)C1 1875366765 TWVJQXLPVIFVTM-SECBINFHSA-N 262.313 0.411 0 50 CCAA N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1[nH]nc2ccccc12 250526522 HOPHHGINBUOFHZ-JAAHAHCPSA-N 272.308 0.407 0 50 CCAA NC(=O)c1ccc(NS(=O)(=O)C[C@@H]2CCCO2)cc1 171802803 NCPAYPCXCABLCS-NSHDSACASA-N 284.337 0.706 0 50 CCAA CC(C)(C)n1ncc2c(N[C@@H]3C[C@H](O)[C@H](O)C3)ncnc21 884622842 BWUFUIBGBZKLEL-GUDFOSOFSA-N 291.355 0.877 0 50 CCAA CNS(=O)(=O)CCCN1CCO[C@H]2CCC[C@H]21 230082242 BYFPWQXHRMXDCJ-MNOVXSKESA-N 262.375 0.179 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 220643 ROSINGKFMYWBEW-SECBINFHSA-N 260.359 0.327 0 50 CCAA Cc1cc(N(CCO)CCO)nc(-n2nc(C)cc2C)n1 535896 IYJHKUTZWIDRCZ-UHFFFAOYSA-N 291.355 0.379 0 50 CCAA CC(C)NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 2146490 WOFDGTYAKOKZCU-UHFFFAOYSA-N 299.396 0.824 0 50 CCAA COC1(CN(C)C)CCN(C(=O)CCc2cn[nH]c2)CC1 2356155532 HCSNINWHOIAHAJ-UHFFFAOYSA-N 294.399 0.912 0 50 CCAA O=C(O)C[C@H](C(=O)OCc1ccccc1)N1CCOCC1 4978138 VCXNECKKSLEGNN-CYBMUJFWSA-N 293.319 0.905 0 50 CCAA CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 8379623 FKVWUSPJIZZDNL-UHFFFAOYSA-N 282.365 0.930 0 50 CCAA CCONC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245267480 LYOPDCSAPMLLRI-IVZWLZJFSA-N 266.297 0.394 0 50 CCAA COC(=O)N1CCC[C@H](C(=O)N2CC(=O)N(C)[C@@H](C)C2)C1 225742121 YJDGWNDFNUYZPK-QWRGUYRKSA-N 297.355 0.154 0 50 CCAA COC[C@H]1CN(C(=O)CC(C)(C)O)CC(C)(C)O1 343749234 AGEOMWQUCDEFEF-SNVBAGLBSA-N 259.346 0.800 0 50 CCAA CS[C@@H](C)CCN1CCC2(CC1)NCCNC2=O 67539917 YEZYHHFLEKHNLI-NSHDSACASA-N 271.430 0.682 0 50 CCAA Cc1nn(C)c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1Cl 426697318 JKBBJQWLEWDSJI-JIGDXULJSA-N 283.715 0.785 0 50 CCAA CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)O)C1 219272128 ZFZPIEHEEMGHEZ-QMMMGPOBSA-N 293.341 0.495 0 50 CCAA COC(=O)[C@@H]1CCc2nnc(-c3cnn(C)c3)n2C1 601043745 BCFKLVHAVAPOKP-MRVPVSSYSA-N 261.285 0.414 0 50 CCAA O=C(Cc1ccc(F)c(F)c1F)N[C@@H]1CCNC[C@H]1O 77539904 VLUGOUVIJNEEGF-NXEZZACHSA-N 288.269 0.485 0 50 CCAA CN1CCO[C@H]2CN(c3ncnc4[nH]ccc34)C[C@@H]21 329926707 WKBDMFLPSBEZIG-QWRGUYRKSA-N 259.313 0.477 0 50 CCAA CC(C)N1C[C@H](N2C(=O)[C@H]3CCCN3C2=O)CC1=O 253432127 IYDGYLMXHDXXSK-NXEZZACHSA-N 265.313 0.422 0 50 CCAA CCOCCS(=O)(=O)N1C[C@@H](COC)OC(C)(C)C1 330526111 VXGDRQQNHDYXOQ-NSHDSACASA-N 295.401 0.479 0 50 CCAA CN(C)S(=O)(=O)N(C)CCc1noc(C2CC2)n1 331766697 LSEOFXIBNVQKNQ-UHFFFAOYSA-N 274.346 0.228 0 50 CCAA O=C(NCc1noc2ccccc12)N1CC(CO)C1 519421002 XGBVVCLTMMYYCN-UHFFFAOYSA-N 261.281 0.962 0 50 CCAA Cn1ccnc1C(=O)N1CCC[C@H](c2ncn[nH]2)C1 215122436 KZGNYGGCHPTDFO-VIFPVBQESA-N 260.301 0.558 0 50 CCAA COc1ccc(F)c(F)c1C(=O)N[C@H]1CCCNC1=O 219213833 INYXZTCCMOZBCA-QMMMGPOBSA-N 284.262 0.982 0 50 CCAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)C1(N)CC1 71762788 WSDRFEGHHGHQAR-SNVBAGLBSA-N 250.346 0.905 0 50 CCAA O=C(CN1CCOC1=O)NCCCOc1cccnc1 426582740 DITCRIZTOTZQTK-UHFFFAOYSA-N 279.296 0.419 0 50 CCAA Cc1cccc(=O)n1CCCNC(=O)[C@@H]1CC(=O)N(C)C1 426574973 GVETXLOESORLBM-GFCCVEGCSA-N 291.351 0.141 0 50 CCAA CC(C)[C@](C)(O)CNC(=O)c1cc(C(=O)O)ccn1 263427632 RQFXFKDSJAJVAI-CYBMUJFWSA-N 266.297 0.917 0 50 CCAA CC(C)CN=c1cc([C@@H]2CCOC2)[nH]c(=NCCO)[nH]1 426737508 MWKWJSBDOANREY-LLVKDONJSA-N 280.372 0.296 0 50 CCAA CC(C)C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)O 178259512 ULVYXTDJZHWZLA-GHMZBOCLSA-N 284.356 0.718 0 50 CCAA Cc1cccn2cc(C(=O)NCc3nnc(N)s3)nc12 426536567 VQLABBRTLPXAJR-UHFFFAOYSA-N 288.336 1.006 0 50 CCAA CCc1nc(N)nc(N(C)CCC(=O)NC)c1C 95380332 ZXFNNJIXIAUHDQ-UHFFFAOYSA-N 251.334 0.502 0 50 CCAA CN(C)C[C@@H]1CN(Cc2cccnc2N)C[C@@H]1CO 91736647 JOIYBDVSKNDWSP-CHWSQXEVSA-N 264.373 0.266 0 50 CCAA CCOCC(=O)N1CC[C@@](O)(CCOC)[C@H](C)C1 91664375 KRBMPTPIMCSCPT-DGCLKSJQSA-N 259.346 0.659 0 50 CCAA CN(CCc1cnn(C)c1)C(=O)CN1CCCCCC1=O 95512667 VVLBPGYMXVPCSU-UHFFFAOYSA-N 292.383 0.824 0 50 CCAA CCn1cnnc1CN(C)Cc1nc(CCOC)no1 244794518 QOIAGXCBCACFOR-UHFFFAOYSA-N 280.332 0.502 0 50 CCAA COCCNC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 245316890 LBQKLWSATKNSSZ-AVGNSLFASA-N 267.373 0.759 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@H](CC(=O)O)CC2)CC1 299740881 BXPPADWDGYLMFH-JTQLQIEISA-N 282.340 0.616 0 50 CCAA CC(C)OCCN1CCC([C@H](O)C(=O)NC2CC2)CC1 299753567 YQOLNIOIENCHQR-AWEZNQCLSA-N 284.400 0.763 0 50 CCAA C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCc2cnccc21 184454028 COGRLJFBKIMTFM-SKDRFNHKSA-N 268.338 0.951 0 50 CCAA CC[C@H](NC(=O)CCN1CCOCC1)c1ncnn1CC 534645391 LCMVLOCIIZAIKC-LBPRGKRZSA-N 295.387 0.588 0 50 CCAA COC[C@H](CO)NC(=O)c1c(C)n(C)c2ccc(O)cc12 534582532 SXZJNEHIHHXFHF-JTQLQIEISA-N 292.335 0.929 0 50 CCAA O=C(C[C@@H]1CCOC1)NCC1(CN2CCOCC2)CC1 534584106 WCGGXXBJVLQTRR-ZDUSSCGKSA-N 282.384 0.642 0 50 CCAA CSCC(=O)NCCCOC1CCN(C)CC1 824881613 UXQPOAPQWJHWCK-UHFFFAOYSA-N 260.403 0.967 0 50 CCAA CCN(CC)C(=O)C1CCN(C[C@@H]2COCCO2)CC1 823043454 WELXPFPYTDUAAI-CQSZACIVSA-N 284.400 0.982 0 50 CCAA Cc1nn[nH]c1C(=O)NCc1nc(-c2ccncc2)n[nH]1 828214648 VYLCEJGWZIHUMK-UHFFFAOYSA-N 284.283 0.223 0 50 CCAA OC1(CN2CCCC2)CCN(C[C@H]2CCOC2)CC1 828605379 SUQZBSHUETXCDX-CQSZACIVSA-N 268.401 0.946 0 50 CCAA O=C(CNC(=O)N1CC(c2ccccn2)C1)N1CCCC1 827897816 JKSZKNNCUVGXQD-UHFFFAOYSA-N 288.351 0.813 0 50 CCAA COCCOC1CCN(CCn2cnnc2)CC1 824445014 CZKLDTTZOILVNP-UHFFFAOYSA-N 254.334 0.406 0 50 CCAA C[C@H](Cn1cncn1)C(=O)NCC1(CO)CCC1 828685845 GUCSNBSMMZCGGH-SNVBAGLBSA-N 252.318 0.193 0 50 CCAA CO[C@H]1CN(Cc2cnn3c(C)cc(C)nc23)C[C@@H]1O 670446500 AOOWPDKADVVKMU-STQMWFEESA-N 276.340 0.538 0 50 CCAA Cc1noc(C)c1CN1C(=O)NC2(CCNCC2)C1=O 41599021 UIFAUVFDNVMSEZ-UHFFFAOYSA-N 278.312 0.465 0 50 CCAA O=C(NCCSc1cnn[nH]1)C1CCOCC1 670453917 AEWSRVRAMPESAN-UHFFFAOYSA-N 256.331 0.440 0 50 CCAA CC(C)(O)CCNC(=O)c1cc(N2CCOCC2)ncn1 632553195 COPASTVFKHYVMN-UHFFFAOYSA-N 294.355 0.204 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](Cc1cn[nH]c1)C(=O)O 703495706 SUWZGXDLLRDDCP-QMMMGPOBSA-N 255.274 0.930 0 50 CCAA CNC(=O)C1(C(=O)N2CC(OC(F)F)C2)CCC1 673134961 FGDPRQLOQMRBSG-UHFFFAOYSA-N 262.256 0.353 0 50 CCAA CCCC[C@@H]1NC(=O)N(CCn2nc(C)oc2=O)C1=O 641486799 CMDWKAAPEOACAK-VIFPVBQESA-N 282.300 0.255 0 50 CCAA CCC/C=C/[C@@H](O)C(=O)N1CC(OCc2nnc(C)o2)C1 585129303 FEPYTHGLENEEPF-BTDICHCPSA-N 295.339 0.823 0 50 CCAA C[C@@H](C(=O)C1CC1)n1cc(CNC(=O)C(F)(F)F)nn1 585138877 WCVBXHZOTHVRMP-LURJTMIESA-N 290.245 0.997 0 50 CCAA Cc1nn(CCSc2nnc(N(C)C)s2)c(=O)o1 585132983 LGDFBWIIGADCFR-UHFFFAOYSA-N 287.370 0.855 0 50 CCAA CN(Cc1cn(C)nn1)C(=O)[C@]12CCC[C@H]1NCC2 711286889 JXCXVQASPHTNFV-YPMHNXCESA-N 263.345 0.306 0 50 CCAA NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCCCF 1615001953 OUEZMRYRBSAYHU-NEPJUHHUSA-N 298.314 0.530 0 50 CCAA Cc1nc[nH]c1C(=O)NC1CCS(=O)(=O)CC1 1624640965 LRNAYICMKOQUOD-UHFFFAOYSA-N 257.315 0.025 0 50 CCAA CN(C)c1ncccc1-c1nc2c(cnn2C)c(=N)[nH]1 1875250799 HZGKWRIYDJMHNT-UHFFFAOYSA-N 269.312 0.904 0 50 CCAA NCCCCNC(=O)CCN1CCCCCC1=O 1506403973 QFGFBDCBYPKEOW-UHFFFAOYSA-N 255.362 0.634 0 50 CCAA C[C@](O)(CO)CNC(=O)[C@H]1CCCC(F)(F)C1 302342179 FCNTUBVZWXNIER-WCBMZHEXSA-N 251.273 0.671 0 50 CCAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)C1CCOCC1 532599506 JXYLWRDTQLGBLN-GFCCVEGCSA-N 285.340 0.895 0 50 CCAA CN(CC(=O)Nc1ccn(C)n1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529153632 SNNASGYOIWXKEG-MPZDIEGVSA-N 292.383 0.840 0 50 CCAA CC(C)NC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529195371 KKVJPFZSBWWIFV-OLZOCXBDSA-N 262.309 0.767 0 50 CCAA CN1CCc2c(CN)c3c(c(O)c2C1=O)OCO3 1531862460 HDOUTQULKFGCOM-UHFFFAOYSA-N 250.254 0.208 0 50 CCAA C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)C(=O)O 659134194 UEXLHVVANGIKQQ-ZETCQYMHSA-N 251.286 0.748 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1)C2 1704304291 CKYYNYHKOMZPRU-KGLIPLIRSA-N 290.363 0.854 0 50 CCAA O=C(c1cnc2ccccc2n1)N(CCO)Cc1ncc[nH]1 1704311069 WOOQHJUWYNVWPL-UHFFFAOYSA-N 297.318 0.988 0 50 CCAA CN1C[C@@H]2C[C@H](N(C)Cc3cnc(N)nc3)C[C@@H]2CC1=O 1704326335 VGYSHXBJBYUQKB-FRRDWIJNSA-N 289.383 0.748 0 50 CCAA CCOC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 4008419 IXXYVEFUUBQSLE-SECBINFHSA-N 265.265 0.506 0 50 CCAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1CC[C@H](N)C1)C2 1565506892 KXHNQLRIJMUUEJ-BNDIWNMDSA-N 252.358 0.997 0 50 CCAA Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 5486048 ODWQKLIHSSJGEU-UHFFFAOYSA-N 250.283 0.860 0 50 CCAA COc1cc(OC)cc(-c2nnc(S)n2N)c1 17957822 FTJYAFXKNKTZIW-UHFFFAOYSA-N 252.299 0.965 0 50 CCAA Cc1nc(CNC(=O)CCN2CCCO2)n(C)c1C 19535048 JJWZZTFSTMWFHC-UHFFFAOYSA-N 266.345 0.681 0 50 CCAA COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(N)=O)cc1 71744 UVPFNVXYRWMZKS-NSHDSACASA-N 289.291 0.586 0 50 CCAA CNC(=O)c1cccc(C(=O)N2C[C@@H](OC)C[C@H]2CO)c1 345510108 MZPASKKXQIZEKJ-STQMWFEESA-N 292.335 0.268 0 50 CCAA O=C(C1=NN2CCCN=C2N1)N(Cc1cccnc1)C1CC1 665926472 PGTRLKLHSXYBIF-UHFFFAOYSA-N 298.350 0.551 0 50 CCAA O=C1COc2ccc(C(=O)N[C@@H]3CCNC3)cc2N1 125984468 VKLLYCLRXMGIHJ-SECBINFHSA-N 261.281 0.109 0 50 CCAA Cc1cc(C)c(C(=O)O)c(N2CC[C@H](CO)[C@H](O)C2)n1 1704353595 PLHIXFUKGZQDAL-GHMZBOCLSA-N 280.324 0.576 0 50 CCAA O=C(O)[C@@H](Cc1nccc(O)n1)NC[C@@H]1C[C@H]2C=C[C@H]1C2 1875332231 OIRVERKVEUDCCZ-FIQHERPVSA-N 289.335 0.980 0 50 CCAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccncc1 1875402523 INEOFONSMUWRKW-IACUBPJLSA-N 286.335 0.848 0 50 CCAA CCn1ccnc1C(=O)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961536 HSQXUQVMAJBLEQ-ZJUUUORDSA-N 290.327 0.671 0 50 CCAA CC(C)(C)c1cc2c(=O)n(CCOCCO)ccn2n1 1776005570 FABRREGMMYUOIU-UHFFFAOYSA-N 279.340 0.802 0 50 CCAA CCNc1nc(C(=O)N2CCO[C@H](CO)C2)cs1 270360452 RJFJORXMRBPFOZ-QMMMGPOBSA-N 271.342 0.408 0 50 CCAA CCN1CCN(CCOc2ccc(F)cc2)C(=O)C1=O 33359716 FKHXJFHUGRFYMX-UHFFFAOYSA-N 280.299 0.895 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(Cc1cncn1C)C1CC1 177074172 SJQZUBUCDAWSEL-JTQLQIEISA-N 271.386 0.818 0 50 CCAA NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 334247899 WNLRRMGMJIGRNN-JTQLQIEISA-N 288.756 0.843 0 50 CCAA Cc1ccccc1Cn1c(=O)c2c(ncn2C)n(C)c1=O 128227 QHIIPMJLBAMHCU-UHFFFAOYSA-N 284.319 0.790 0 50 CCAA COc1cc([C@@H](C)NCc2cn(CC(N)=O)nn2)sn1 2325873569 LRDPTBNZLSLGRE-SSDOTTSWSA-N 296.356 0.079 0 50 CCAA O=C(CCc1nc(O)n[nH]1)N1CCC[C@@H](c2cc[nH]n2)C1 2356158101 CSMQDZVZHMUPOP-SECBINFHSA-N 290.327 0.572 0 50 CCAA COc1ccccc1OCCOCCNCCO 2981108 BYMWGUFPDYSVNX-UHFFFAOYSA-N 255.314 0.673 0 50 CCAA CNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 65364669 XYZJDIGTBCYNDI-UHFFFAOYSA-N 256.327 0.750 0 50 CCAA C[C@@H](C(=O)Nc1cnc2n1CCCC2)N1CCN(C)CC1 67673177 VJFDAUYCZZBGBG-LBPRGKRZSA-N 291.399 0.794 0 50 CCAA O=C(CCn1cncn1)N[C@H]1CCN2CCCC[C@@H]12 229384013 BHKDSUSDBPDRFN-RYUDHWBXSA-N 263.345 0.411 0 50 CCAA CN1CCN(S(=O)(=O)C2CC2)C[C@H]1c1ncc[nH]1 328625936 LEHPPCWDUQJZJO-JTQLQIEISA-N 270.358 0.190 0 50 CCAA COCc1nc(N2C[C@@H]3CNC[C@@H]3C2)c2cnn(C)c2n1 72164627 XIEXTSASHDHOCZ-AOOOYVTPSA-N 288.355 0.165 0 50 CCAA CN(Cc1cc(Cl)cn1C)C(=O)C[C@@H]1NC(=O)NC1=O 154043783 UMZVTZVGOHSJCI-VIFPVBQESA-N 298.730 0.235 0 50 CCAA NS(=O)(=O)c1cnc(N2CCC(C(=O)O)CC2)s1 519817092 BHVINXBGBWLCEC-UHFFFAOYSA-N 291.354 0.092 0 50 CCAA Nc1nnnn1CC(=O)N1CCC[C@H]1c1nccs1 217029042 CDZWRUWHIDSVLQ-ZETCQYMHSA-N 279.329 0.076 0 50 CCAA Cc1cc(C)n(CCCC(=O)N2CCN[C@@H](C(=O)O)C2)n1 71750997 LFTYRCDUAXXKAO-GFCCVEGCSA-N 294.355 0.165 0 50 CCAA COc1ccc(C(=O)N2CCN[C@H](C(=O)O)C2)cc1OC 71661989 UUDKAKGMTJCWBU-JTQLQIEISA-N 294.307 0.202 0 50 CCAA O=C(COc1ccc2c(c1)OCO2)N1CCOC[C@@H](O)C1 77556073 NINQNRUNXRTACQ-JTQLQIEISA-N 295.291 0.014 0 50 CCAA O=C(N=c1ccc(C2CC2)n[nH]1)N1CC[C@H](CO)C1 333244485 WZLZWUWSZSLKTM-VIFPVBQESA-N 262.313 0.622 0 50 CCAA Brc1ncn(CCSc2cnn[nH]2)n1 521395148 QKDFWAJKUCCMFA-UHFFFAOYSA-N 275.135 0.951 0 50 CCAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(CCc2ccnn2C)C1 284739718 XSLKDWNNJUGSEY-OLZOCXBDSA-N 290.371 0.851 0 50 CCAA Cn1cnc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 178201461 WFOYMJOVJCSCEV-QWHCGFSZSA-N 257.293 0.808 0 50 CCAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCCCC1 238901768 MOIODPJLJKOGKP-CDGCEXEKSA-N 288.347 0.806 0 50 CCAA COc1cccn(CC(=O)N2C[C@@H]3CCCN[C@@H]3C2)c1=O 95518117 ZSBUAUAYDDSPKA-NWDGAFQWSA-N 291.351 0.067 0 50 CCAA CCN1C[C@@H](C(=O)NCCn2nc(C)nc2C)CCC1=O 91819492 VKCVYRHMBHORGZ-LBPRGKRZSA-N 293.371 0.270 0 50 CCAA CN(C)c1nc(N(C)CC2(CO)CCOCC2)ncc1F 95372377 SSXQYTZPPPQVKB-UHFFFAOYSA-N 298.362 0.907 0 50 CCAA CCOCc1nc([C@@H]2CCOC2)nn1CC(=O)O 97527379 XDZMSWBZRKIRDS-MRVPVSSYSA-N 255.274 0.403 0 50 CCAA C[C@H](Cn1cncn1)NC(=O)c1c2c(nn1C)CCCC2 244718911 LTEZSIJNOFQUPW-SNVBAGLBSA-N 288.355 0.709 0 50 CCAA COCCCn1cnnc1CNC(=O)[C@H]1CCCNCC1 534658952 OGTWHHZDYLZSMC-LBPRGKRZSA-N 295.387 0.321 0 50 CCAA CNC(=O)c1ccc(CN(CCO)Cc2nccn2C)o1 299756611 FMUQDQCFUYTWJK-UHFFFAOYSA-N 292.339 0.367 0 50 CCAA Cc1cnn(CCC(=O)N2CCOC[C@@H](CN(C)C)C2)c1 299782639 TVPDJXUMUDKHSX-AWEZNQCLSA-N 294.399 0.618 0 50 CCAA CCCc1n[nH]c(=NCCc2nc(N)n[nH]2)s1 584885382 IEAVFBUIWHNOMB-UHFFFAOYSA-N 253.335 0.267 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)CN2CCCCCC2)C1 670465601 SECDYLLMVNVUBD-OAHLLOKOSA-N 297.443 0.899 0 50 CCAA C[C@H]1CN(C(=O)c2cc(O)n(C)n2)Cc2cncnc21 1412506800 JEQRZOGVYPQDRO-QMMMGPOBSA-N 273.296 0.675 0 50 CCAA CO[C@H]1CN(C(=O)c2nc[nH]c3nccc2-3)[C@](C)(CN)C1 630378467 WKSIQEPCDLUSNK-OTYXRUKQSA-N 289.339 0.488 0 50 CCAA CN1C(=O)CC[C@@H](C(=O)NCC(=O)O)[C@H]1c1ccccc1 170047789 OFIUVQFXQMUYAP-BXUZGUMPSA-N 290.319 0.797 0 50 CCAA Cc1nn(C)c(C)c1CCNC(=O)c1cc(O)n(C)n1 666259347 WKNPTKAPTCTDLW-UHFFFAOYSA-N 277.328 0.449 0 50 CCAA N=c1ccc(C(=O)N[C@@H]2CNC[C@H]2c2ccccc2)c[nH]1 638528581 FNXHFPDUZUGMHC-UONOGXRCSA-N 282.347 0.980 0 50 CCAA CN1CCO[C@@H](CN(CC2CC2)c2nc(C(=O)O)co2)C1 579964098 RLTDSBXKKSRBPE-LLVKDONJSA-N 295.339 0.920 0 50 CCAA CC1CCC(O)(CN2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 192673427 FOHJNBVRKBSKQD-KWCHVYNWSA-N 295.383 0.602 0 50 CCAA C[C@@H]1CNCCN1S(=O)(=O)c1cc(Cl)cnc1N 193354908 MPHXTGOETBJFST-SSDOTTSWSA-N 290.776 0.300 0 50 CCAA C[C@@H]1CN(C(=O)[C@]2(C)CCCN2)C[C@]2(CCNC2)O1 1616041277 NRHUVRLOEGPALX-KWCYVHTRSA-N 267.373 0.108 0 50 CCAA NC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)CCO1 110539617 ZTKGMZYCNJFBCI-QWHCGFSZSA-N 276.336 0.424 0 50 CCAA CN1C[C@H](CN2CCN(C3CCOCC3)CC2)CCC1=O 1775980977 FKJHNUZRVFAXIT-CQSZACIVSA-N 295.427 0.651 0 50 CCAA CN1CCO[C@@H](CN(Cc2cnnn2C)CC2CC2)C1 328636803 OGCAIHGIKYMSLG-CQSZACIVSA-N 279.388 0.358 0 50 CCAA Cn1ccnc1CCNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 236076697 FURGCRGKRXDPKA-ZJUUUORDSA-N 265.313 0.580 0 50 CCAA C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN2CCC1CC2 241447085 NRBCLIKTNRTBMZ-LLVKDONJSA-N 291.351 0.705 0 50 CCAA CO[C@@H]1CCCN(C(=O)NCCc2cnn(C)c2)C1 263980983 QDVFFIVCJUQCJP-GFCCVEGCSA-N 266.345 0.783 0 50 CCAA CC(C)(CO)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 907950747 YEXLJVGASFWPAZ-AATLWQCWSA-N 255.314 0.620 0 50 CCAA N[C@@H](CNC(=O)NC[C@H]1CNCCCO1)c1ccccc1 1875349473 YKJAMLOPVVPULO-KGLIPLIRSA-N 292.383 0.364 0 50 CCAA CN(C)C/C=C/C(=O)NC1CC(N2CCOCC2)C1 1875377294 XDFXCEKQNPYMIM-ONEGZZNKSA-N 267.373 0.084 0 50 CCAA CNC(=O)[C@@H]1CCCN(c2nc3ccncc3n2C)C1 1875305271 OGRXQONLFFBUMU-SNVBAGLBSA-N 273.340 0.931 0 50 CCAA CNS(=O)(=O)N1CCN(C[C@@H](C)C(C)(C)C)CC1 878617554 ROROLWBACAWFLX-LLVKDONJSA-N 277.434 0.750 0 50 CCAA CC[C@H]1C(=O)NCCCN1C(=O)Cn1nc(C)cc1C 886516930 FMDQETKDMRMJKU-LBPRGKRZSA-N 278.356 0.627 0 50 CCAA Cn1cnc(S(=O)(=O)N2CCCNCC2)c1Cl 237815407 MREHWLMIHJLCOH-UHFFFAOYSA-N 278.765 0.058 0 50 CCAA O=C(CNC(=O)c1cccs1)N[C@H]1C[C@@H](C(=O)O)C1 263051646 DWYZKXSZDXQUQM-OCAPTIKFSA-N 282.321 0.457 0 50 CCAA Cc1cccc(S(=O)(=O)NC[C@](C)(O)C(=O)O)c1F 263577259 RIQPHXMDBDQIJN-NSHDSACASA-N 291.300 0.248 0 50 CCAA CCOC1CC(C(=O)N2CC[C@]3(CNC(=O)C3)C2)C1 335801761 UAWBFQVDQKLRIZ-MGULZYLOSA-N 266.341 0.540 0 50 CCAA COC(=O)C[C@@H](C)NCc1nnn(C(C)(C)C)n1 690592132 SBMUDWVZHGDGRZ-MRVPVSSYSA-N 255.322 0.469 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)O)C[C@H]1C(F)F 2325755596 KRSCBOCXENVTOM-DBRKOABJSA-N 277.223 0.131 0 50 CCAA CCS(=O)(=O)N1C[C@@H](C(=O)O)Oc2ccccc21 22172481 OTUARFQEKVJAJN-JTQLQIEISA-N 271.294 0.688 0 50 CCAA O=C(NCc1ccncc1)C(=O)Nc1nccs1 37866355 BMVXVZDZCUPPEF-UHFFFAOYSA-N 262.294 0.793 0 50 CCAA Cc1ccc2ncccc2c1CNC(=O)Cn1nnnc1N 215692497 AVMRLLVUOOHFHZ-UHFFFAOYSA-N 297.322 0.428 0 50 CCAA CNC(=O)C(C)(C)CNC(=O)c1cccnc1S 122066102 CYDLELOVKRAZFO-UHFFFAOYSA-N 267.354 0.872 0 50 CCAA CCN(Cc1n[nH]c(C)c1Cl)[C@H]1COC[C@@H]1O 216319930 IQFKDUOJZPWORT-UWVGGRQHSA-N 259.737 0.953 0 50 CCAA C/C=C/CN1CCC2(CCN(CCO)CC2)[C@@H](CO)C1 219629190 QKXMWQIJVIDGBJ-XYBNCVKDSA-N 282.428 0.951 0 50 CCAA CN(C)CC(=O)N1CCC(Cn2cc(N)cn2)CC1 72343514 PXSBDUQGASSNNR-UHFFFAOYSA-N 265.361 0.266 0 50 CCAA CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1)c1cccnc1 236664359 WETIBPYRDLLQED-RDBSUJKOSA-N 277.368 0.660 0 50 CCAA CO[C@@]1(C)C[C@@H](N(C)C(=O)CN2CCNCC2=O)C1(C)C 237155099 DSHHZFTVFOZMHK-ABAIWWIYSA-N 297.399 0.080 0 50 CCAA C[C@@H](NC(=O)c1cc(C2CC2)no1)C(=O)N(C)C 282415380 LFJOHJGNEKTYRH-SSDOTTSWSA-N 251.286 0.759 0 50 CCAA O=C1CN(c2nccc(CCC(F)(F)F)n2)CCN1 71416273 FJHNDSZNIHOGHV-UHFFFAOYSA-N 274.246 0.908 0 50 CCAA Cc1cc(=O)n([Sn](C)(C)C)c(=O)[nH]1 195813286 DHSYJESTKFALMD-UHFFFAOYSA-M 288.923 0.528 0 50 CCAA Cc1nc(-c2ccc3c(c2)NC(=O)CN3)n(CC(=O)O)n1 97088239 LNAUSOPYDPXGPU-UHFFFAOYSA-N 287.279 0.702 0 50 CCAA C[C@H]1C[C@@H](C)C(=O)[C@H](C(=O)CC2CC(=O)NC(=O)C2)C1=O 239309792 HVVJIIFHRADPPT-BWPRHRIFSA-N 293.319 0.429 0 50 CCAA O=C(N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1)c1cc[nH]c1 244874620 XEMICWMQFLFOHI-IHRRRGAJSA-N 277.368 0.884 0 50 CCAA Cn1cc([C@H](NC(=O)c2cc[nH]n2)[C@H]2C[C@@H](O)C2)cn1 243892939 AMIBRBHWTHPMSU-UBHAPETDSA-N 275.312 0.385 0 50 CCAA CCCNC(=O)[C@@H](C)N1CCc2c(c(CO)nn2CC)C1 252496793 PRUSLXSJIQWDOQ-LLVKDONJSA-N 294.399 0.668 0 50 CCAA COc1ccc(CNC(=O)[C@@H]2COCCO2)cc1C(=O)O 299753904 ZSQAYISVKMZYJV-LBPRGKRZSA-N 295.291 0.425 0 50 CCAA C[C@H](CNC(=O)C1CCN(c2cnccn2)CC1)C(=O)O 262184141 XYYYQTQLCNIVQZ-SNVBAGLBSA-N 292.339 0.530 0 50 CCAA COCCn1cnnc1CNC(=O)C[C@@H](C)n1cccn1 299779941 HQEQPKWPMPXXPR-LLVKDONJSA-N 292.343 0.389 0 50 CCAA CN1C(=O)C[C@@H](c2n[nH]c(CC(N)=O)n2)c2ccccc21 826842577 ZOVCUBXFURYMQK-SECBINFHSA-N 285.307 0.331 0 50 CCAA CN(C)[C@H]1CN(CCOCc2ccccc2)C[C@@H]1O 660588507 ADJRBFLBOHUJMO-GJZGRUSLSA-N 264.369 0.810 0 50 CCAA CCNC(=O)[C@@H]1CCN(CC(=O)N2CCCCCC2)C1 670455959 OYENNAJSURQWFO-CYBMUJFWSA-N 281.400 0.847 0 50 CCAA CCn1cc(CNCCN2CCCC[C@H]2CO)cn1 952967262 LEJCVLOROJBJSG-AWEZNQCLSA-N 266.389 0.839 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)C1(Cn2ccnc2)CC1 1565529166 OTWQDXZJUSTXNL-STQMWFEESA-N 293.367 0.974 0 50 CCAA CC(C)[C@H](CO)ONC(=O)[C@H]1CCCCC(=O)N1 408522275 GQRJCTVQXYFWHJ-ZJUUUORDSA-N 258.318 0.110 0 50 CCAA COc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)on1 190014633 NYOIZVYJPOSBKM-JOYOIKCWSA-N 292.295 0.677 0 50 CCAA CN(Cc1ccon1)C(=O)CN1CCCC[C@H](O)C1=O 644365964 JKPFPLWCRPKXEL-NSHDSACASA-N 281.312 0.006 0 50 CCAA CC[C@H](C)NC(=O)[C@H](C)N1CC[C@H](C)S(=O)(=O)CC1 191727314 GHFFEBBLEQWIIL-SRVKXCTJSA-N 290.429 0.799 0 50 CCAA CCN1CCC[C@H]1CN(C)C(=O)c1cncnc1N 192360815 LMSGFDHFFOVEAT-JTQLQIEISA-N 263.345 0.615 0 50 CCAA Cc1cccnc1NC(=O)Cn1nc2n(c1=O)CCCC2 649537848 RHAIFVSKDHEYKX-UHFFFAOYSA-N 287.323 0.723 0 50 CCAA CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)C1CC(=O)C1 584582014 ONMCYRCKHWTMBC-NSHDSACASA-N 287.381 0.781 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1CC[C@H](n2cccn2)C1 584992964 URDUUTNDBUJHAW-ZDUSSCGKSA-N 297.123 0.188 0 50 CCAA C[C@H](CC(F)(F)F)NCCN(C)S(C)(=O)=O 67435122 JOZOCMKXWJQBTA-SSDOTTSWSA-N 262.297 0.808 0 50 CCAA CCNc1ncc(C(=O)N2CC[C@H](N(C)C)C2)cn1 91649960 DPXPVSILLZKFIQ-NSHDSACASA-N 263.345 0.685 0 50 CCAA C/C(=C\C(=O)N1CCC[C@](O)(Cn2ccnn2)C1)C1CC1 794090970 HBVCEQKPBZPAJM-SAAWKEMMSA-N 290.367 0.988 0 50 CCAA CC(C)Cn1ccnc(N2CC(CN(C)C)C2)c1=O 1615555971 DNHVVMMSVRTCRE-UHFFFAOYSA-N 264.373 0.897 0 50 CCAA O=C(Cc1cccnc1)N[C@H]1COC2(CCNCC2)C1 215551551 RRKARIRZRYUZAJ-CYBMUJFWSA-N 275.352 0.651 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC[C@@H](C(=O)O)C1 224589947 ZEEPTVVVHRTIFO-HBNTYKKESA-N 282.340 0.614 0 50 CCAA O=C1CC[C@@H]2CN(Cc3ncc[nH]3)CC[C@@H]2N1CCCO 215281670 LZLGQHROEXHUMV-OLZOCXBDSA-N 292.383 0.605 0 50 CCAA COCCC(=O)N1CCC(NC(=O)N2CC(F)C2)CC1 332421682 FWYJYXLFNUEMIU-UHFFFAOYSA-N 287.335 0.377 0 50 CCAA O=S(=O)(NC1CC1)[C@@H]1CCN(Cc2ncc[nH]2)C1 120244416 CHJLANYNTFCQAO-SNVBAGLBSA-N 270.358 0.066 0 50 CCAA Cc1nnc2n1C[C@@H](CNC(=O)CNc1cccnc1)C2 1857678840 SMVIZQAFSJWEIW-LLVKDONJSA-N 286.339 0.382 0 50 CCAA CC(C)c1ocnc1C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1857678028 RBVIHTVNDXXMBB-GAJNKVMBSA-N 282.296 0.055 0 50 CCAA COc1ccc(NC(=O)CN2CCCC[C@H](O)C2=O)cn1 644244992 NHSAIUGMGIYJAA-NSHDSACASA-N 293.323 0.402 0 50 CCAA CCC[C@]1(CO)CCN(c2nccc(OC)n2)C[C@H]1O 1875248941 ZCPDQIAWACROJG-BXUZGUMPSA-N 281.356 0.835 0 50 CCAA CCc1nc(C)cc(N2CC[C@](O)(Cn3ccnn3)C2)n1 671467023 ULAOGIBATKNDEN-CQSZACIVSA-N 288.355 0.580 0 50 CCAA C[C@H]1CN(Cc2nc(N(C)C)no2)C[C@@]2(CCOC2)O1 253397031 SRNXLPBPUWGLFI-GXFFZTMASA-N 282.344 0.515 0 50 CCAA COC[C@@H]1CN(c2ccnc(C(N)=O)c2)CC(C)(C)O1 583616704 FAGQAJXMYWOSDK-NSHDSACASA-N 279.340 0.811 0 50 CCAA Cc1nonc1Cn1cnc2c(N(C)C)ncnc21 265543417 UFDOIPVHIYUBKU-UHFFFAOYSA-N 259.273 0.632 0 50 CCAA CCn1nc(C)nc1N1C(=O)N[C@@](C)(C2CC2)C1=O 900249929 NQFKCPRGWRGIJL-LBPRGKRZSA-N 263.301 0.831 0 50 CCAA O=C([C@@H]1CCCS1)N1CCC[C@H](Cc2nn[nH]n2)C1 952882542 SDJWEYFVSVYZMU-ZJUUUORDSA-N 281.385 0.876 0 50 CCAA CC(C)c1nc2c(n1C)CCN(C[C@@]1(O)CCNC1)C2 952876953 IXZHUTXKUDMGFT-OAHLLOKOSA-N 278.400 0.626 0 50 CCAA N[C@H](C(=O)NC[C@@H]1CCNC1)[C@@H]1CCc2ccccc21 1875349391 VNHAZMHDNIHIKU-DFBGVHRSSA-N 273.380 0.769 0 50 CCAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1N=c1ccn2nccc2[nH]1 1875398380 NVUUUIBNYVZGTJ-YNEHKIRRSA-N 298.350 0.599 0 50 CCAA CC[C@@](C)(O)[C@@H](O)C(=O)NCCc1cccc(OC)c1 1875335602 XSDVRRKOTNOVHU-DZGCQCFKSA-N 281.352 0.876 0 50 CCAA COc1nc(C)ncc1C(=O)N1C[C@H](N)C2(CCC2)C1 1775962463 LSKMIIRLWIHKGG-NSHDSACASA-N 276.340 0.747 0 50 CCAA Cc1c(C(=O)N[C@H]2COC[C@@H]2O)sc2ncnc(O)c12 323262463 ITNAFYOBCJZNBV-BQBZGAKWSA-N 295.320 0.195 0 50 CCAA Cc1nc2n(n1)CCN(CC1(CS(C)(=O)=O)CC1)C2 328620222 WQOMPKKAEIFUGS-UHFFFAOYSA-N 284.385 0.227 0 50 CCAA CCCc1nc(CN2C[C@@H](C)CS2(=O)=O)no1 332620764 GFNLGSVWQJBPPI-MRVPVSSYSA-N 259.331 0.804 0 50 CCAA NC(=O)C1CCN(CC(=O)Nc2ccccn2)CC1 4058435 SILFSEQHJIZSFK-UHFFFAOYSA-N 262.313 0.217 0 50 CCAA Cc1cc(C)nc(SCC(=O)Nc2nonc2N)n1 4577165 BSAGXNAHVXPSBL-UHFFFAOYSA-N 280.313 0.789 0 50 CCAA O=C1[C@H](N[C@H]2CCc3ncnn3C2)CCN1c1ccccc1 109329188 SSEDSOUIDUOFAH-GXTWGEPZSA-N 297.362 0.988 0 50 CCAA O=C(O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 100001760 QVKBNBWTDBEIPL-NOEAPNPUSA-N 261.277 0.514 0 50 CCAA CCOC1CN(S(=O)(=O)c2ccc3nc(O)oc3c2)C1 416487404 JEQBEVWKDZSABW-UHFFFAOYSA-N 298.320 0.943 0 50 CCAA CC[C@H]1CCCN(C(=O)NCCN2C(=O)CCC2=O)C1 113976176 QAWGQOAYZIISHR-NSHDSACASA-N 281.356 0.967 0 50 CCAA CN1C(=O)N2CN(C3CCCCC3)CN3C(=O)N(C)C1C23 23634265 AHTFFTATRDRNSU-UHFFFAOYSA-N 293.371 0.937 0 50 CCAA CC(C)n1nccc1C(=O)N1CC[C@H](CS(C)(=O)=O)C1 344164398 KNPOTOBUHJTSHD-NSHDSACASA-N 299.396 0.971 0 50 CCAA CC(C)CCn1c(S)nc2c1c(=O)[nH]c(=O)n2C 100297940 AVEOPOLAQTXBAI-UHFFFAOYSA-N 268.342 0.758 0 50 CCAA CCCc1nc(N2Cc3cnn(CCO)c3C2)no1 67847230 XHNFZOVAOHIXAK-UHFFFAOYSA-N 263.301 0.731 0 50 CCAA CN(C)S(=O)(=O)CCCN1CCCC[C@@H]1C(=O)O 347299357 BXFNDWLUSUEHKK-SNVBAGLBSA-N 278.374 0.207 0 50 CCAA Cc1nc(C(=O)N[C@H](C)Cn2cncn2)cs1 66317503 CAZPECBSHAVYEX-SSDOTTSWSA-N 251.315 0.862 0 50 CCAA CN1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 229653922 ZGTANZQLWCTMPF-CHWSQXEVSA-N 277.372 0.926 0 50 CCAA O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cnn[nH]1 72128941 GRTLWYTXSAGXFQ-LBPRGKRZSA-N 297.322 0.958 0 50 CCAA COc1coc(C(=O)N2CCOCC3(CC3)C2)cc1=O 328776922 IHCSKIGAKBMAJK-UHFFFAOYSA-N 279.292 0.901 0 50 CCAA COc1cc(F)c(CN2C[C@H](O)[C@@H](N(C)C)C2)cc1OC 215325346 BKKZLZUCCADEPN-STQMWFEESA-N 298.358 0.950 0 50 CCAA COCc1cc(CNC(=O)[C@H](NC(C)=O)C(C)C)n[nH]1 219285601 HENALPNNYPJSKA-GFCCVEGCSA-N 282.344 0.333 0 50 CCAA COc1cccc(OC[C@H](O)CN[C@@H](C)CCO)c1 32587006 KFEGBVPAFCKJRS-NWDGAFQWSA-N 269.341 0.795 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1S(=O)(=O)N(C)CC1CC1 367073154 IZYFPANGYHMVLJ-QWRGUYRKSA-N 279.381 0.205 0 50 CCAA Cc1nc(CNC(=O)[C@H](O)C2CCCCC2)n[nH]1 215640639 MWFFPDQFHGILFX-LLVKDONJSA-N 252.318 0.671 0 50 CCAA O=C([C@H]1NCCc2[nH]cnc21)N1CC(Oc2cccnc2)C1 72448106 ONMNDJXHYQMPIE-AWEZNQCLSA-N 299.334 0.281 0 50 CCAA CN(CC1(O)CCC1)C(=O)C(C)(C)N1CCOCC1 331901183 RKWIMMAWJWBLKI-UHFFFAOYSA-N 270.373 0.471 0 50 CCAA CO[C@@]1(C)CCCN(S(=O)(=O)N2CCOCC2)CC1 332211927 GZRZVRUNKLWRRZ-LBPRGKRZSA-N 292.401 0.454 0 50 CCAA NCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 36286494 HOVKSPHQQLXZON-UHFFFAOYSA-N 268.260 0.942 0 50 CCAA COCCN1C[C@@H](C(=O)NCCCc2ccco2)CC1=O 215338372 AOHQKUFWVBBOBJ-LBPRGKRZSA-N 294.351 0.823 0 50 CCAA COC[C@H]1CN(c2ccc3nnnn3n2)CC(C)(C)O1 339061667 OAEVBFCISPVAED-SECBINFHSA-N 278.316 0.150 0 50 CCAA CCOC[C@H]1CN(C(=O)NCC[C@@H]2CCCNC2)CCO1 529331184 JDEKCCQVCVYLIA-UONOGXRCSA-N 299.415 0.823 0 50 CCAA Cc1nn(C)c(C(=O)N(C)C[C@H]2COCCO2)c1Cl 426372518 UYCYXSBZQJPBBS-VIFPVBQESA-N 287.747 0.869 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1nc[nH]c2nccc1-2 614619937 XCFXPFPOVDLMLT-VHSXEESVSA-N 290.323 0.785 0 50 CCAA Cc1cccnc1[C@@H](NC(=O)CN(C)CCO)C1CC1 426547597 IXPHEAHRFNLDLY-HNNXBMFYSA-N 277.368 0.881 0 50 CCAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ncn[nH]1)CC2 91998118 PIQBJIQYKJGECA-ZJUUUORDSA-N 280.328 0.197 0 50 CCAA COC(=O)[C@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C 98088298 SCKQPFVBRJQINF-RKDXNWHRSA-N 259.302 0.920 0 50 CCAA C[C@H]1CN(C(=O)[C@@H](CN)c2ccccc2)C[C@@H](C)N1 179150000 TVTYVJRLAZINPH-SCRDCRAPSA-N 261.369 0.938 0 50 CCAA COCc1ccc(C(=O)N2C[C@@H]3CNC[C@@H]3C2)o1 97631993 JZQXOYTXOUXVBM-AOOOYVTPSA-N 250.298 0.717 0 50 CCAA Cc1noc(C)c1[C@@H](C)CNC(=O)Cn1ncn(C)c1=O 182643108 WQBGGCSGECURAB-QMMMGPOBSA-N 293.327 0.107 0 50 CCAA CCN(CC)S(=O)(=O)N[C@H](C)c1ncnn1C 353830931 YXPBVVNUGBOXBY-MRVPVSSYSA-N 261.351 0.052 0 50 CCAA Cc1nc(C)c(C(=O)NCc2noc(C(N)=O)n2)s1 534666157 LOWSSWMJLAEGLK-UHFFFAOYSA-N 281.297 0.172 0 50 CCAA CN(C)c1ncc(CN2CCN([C@@H]3CCNC3)CC2)cn1 352693356 KIHHBVBWGNJSCM-CQSZACIVSA-N 290.415 0.022 0 50 CCAA C[C@@H](CNC(=O)C1CCN(c2cnccn2)CC1)C(=O)O 262184139 XYYYQTQLCNIVQZ-JTQLQIEISA-N 292.339 0.530 0 50 CCAA O=C(C1CCCCCC1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 584902448 FAEWJBHYIVQEPK-GJZGRUSLSA-N 296.411 0.861 0 50 CCAA Cc1cc(C)n(CCN[C@H](C)CN(C)C)c(=O)n1 823683207 OALASSDLUCGLRP-LLVKDONJSA-N 252.362 0.400 0 50 CCAA CN1CCN(C(=O)[C@H]2CC[C@@H](O)CC2)C[C@@H]1CCO 584894764 WIALKUJABVNFBQ-RWMBFGLXSA-N 270.373 0.063 0 50 CCAA COc1cc(CN2C[C@H](O)[C@@H](OC)C2)cc2c1OCO2 670444611 IYDWCTGLMRYVEB-GWCFXTLKSA-N 281.308 0.615 0 50 CCAA CCc1noc(CCNC(=O)C(C)(C)N2CCOCC2)n1 670439063 XZKONDLDMPNQMR-UHFFFAOYSA-N 296.371 0.402 0 50 CCAA CC(C)OC[C@H](N)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958527930 IPVMMQAXLIMDGL-PSIUFMSWSA-N 277.386 0.209 0 50 CCAA O=C1CCCCN1CCCC(=O)N1C[C@@H](O)[C@H](F)C1 952984213 ZBBYXYQJUYMJSN-GHMZBOCLSA-N 272.320 0.320 0 50 CCAA CCCc1cnc(C)nc1N1CC[C@@H](CO)[C@@H](O)C1 1565514031 OWJOMRXDBCBMDY-STQMWFEESA-N 265.357 0.917 0 50 CCAA COCCCN[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 408516901 XLPHGVWZTWWAPM-GHMZBOCLSA-N 264.391 0.330 0 50 CCAA C[C@@H]1CC[C@H](C(N)=O)CN1c1cc(=O)n2ccccc2n1 170604137 DRMRZFVMXHDWSU-MNOVXSKESA-N 286.335 0.785 0 50 CCAA Cc1nccnc1C(=O)N[C@@H](C)c1nnc2n1CCC2 667026731 SQXDFPZETDKUOL-VIFPVBQESA-N 272.312 0.814 0 50 CCAA COc1ccncc1CN1CCC[C@](O)(CC(N)=O)C1 643808202 WHHFELNFSASZFO-AWEZNQCLSA-N 279.340 0.293 0 50 CCAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)[C@@H]1C[C@H]1C(=O)O 647736866 PBRAODFXHDLRMZ-IGORNWKESA-N 253.298 0.637 0 50 CCAA CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cnnn1CC 329074570 PHBRWNHQDUMXDJ-JTQLQIEISA-N 279.344 0.381 0 50 CCAA O=C1CC[C@H]2CN(S(=O)(=O)c3ccccc3F)CCN12 114970583 HSGYFSXDMXBWHD-JTQLQIEISA-N 298.339 0.821 0 50 CCAA CC(C)CS(=O)(=O)N1CCC[C@H]1c1nncn1C 162599325 NJZCHAWNYPNKLW-JTQLQIEISA-N 272.374 0.938 0 50 CCAA CS(=O)(=O)c1ccc(S(C)(=O)=O)c(C(=O)O)c1 1772572586 CEQOMJQHQGMARA-UHFFFAOYSA-N 278.307 0.192 0 50 CCAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cnn[nH]1 223073725 LSTWVGHHCPNFSS-ADEWGFFLSA-N 287.323 0.312 0 50 CCAA O=C(CNc1cccnc1)NCCSc1nc[nH]n1 1857684845 HDNZNRNSPSTKDV-UHFFFAOYSA-N 278.341 0.520 0 50 CCAA O=C1CC2(CCN(C[C@H]3C[C@@H]4CC[C@H]3O4)CC2)OCCN1 1857707412 RGSQLXBDEQWBFV-HZSPNIEDSA-N 294.395 0.925 0 50 CCAA CC(C)[C@H]1CN2C[C@@H](NC(=O)c3ccon3)C[C@H]2CO1 1857726871 HGFBARGRDUOYMQ-GMXVVIOVSA-N 279.340 0.902 0 50 CCAA NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc2c1CCOC2 639877376 HWEVQIXRHUIHCT-OCCSQVGLSA-N 276.336 0.180 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1nc(C(C)C)n[nH]1 643830065 WMXJYRJYAACLLE-CQSZACIVSA-N 295.387 0.655 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)[C@H]2CCCC[C@]2(C)N)CC1 335937623 SLBKAROGXYLIBN-DOMZBBRYSA-N 296.415 0.720 0 50 CCAA CC(C)OC(=O)CCCNC(=O)N1CCNC(=O)[C@H]1C 390834500 ZUQYVQIQRYKHDS-SNVBAGLBSA-N 285.344 0.248 0 50 CCAA COc1cc(C)ccc1OCC(=O)N1CC[C@@H](N)C1 237105486 LCTNJCBIMLGJES-LLVKDONJSA-N 264.325 0.942 0 50 CCAA CCC[C@@H]1C[C@H]1CNC(=O)N[C@@H]1CCn2nnnc2C1 1875306845 DNPXINGDTDWYBR-OUAUKWLOSA-N 278.360 0.723 0 50 CCAA C=CC(=O)N1CCC[C@H](C(=O)Nc2n[nH]c(C)n2)C1 1875371078 ODUMKKZFRAUMPH-VIFPVBQESA-N 263.301 0.476 0 50 CCAA N[C@H](C(=O)Nc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCOC1 1875358819 KVSWWWQOCRVPHE-JQWIXIFHSA-N 287.323 0.774 0 50 CCAA NC(=O)N1CCCN(c2ncnc3cnccc23)CC1 1875302350 MBPJNLJCHZHZPV-UHFFFAOYSA-N 272.312 0.616 0 50 CCAA CO[C@@H]1CN(CCC(C)(C)O)C[C@H]1c1cn(C)nn1 886072051 LZNZVXCZTQJDPN-CMPLNLGQSA-N 268.361 0.390 0 50 CCAA C=CS(=O)(=O)CCN(C)[C@H]1CCN(C)[C@H](C)C1 1775994494 VSPBQNDLTVWWPI-NEPJUHHUSA-N 260.403 0.959 0 50 CCAA CN(C)[C@H](C(=O)NC1CCOCC1)c1cncn1C 1321141561 ZWGXWADUNUWRGC-LBPRGKRZSA-N 266.345 0.318 0 50 CCAA NC[C@@H]1CN(S(=O)(=O)CC2CCCC2)CCO1 262088461 RJYOCUDLJHZHQT-LLVKDONJSA-N 262.375 0.166 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](CC(=O)O)C1 262411846 ACJNJZMCDNXLML-LPEHRKFASA-N 257.286 0.114 0 50 CCAA CC(C)N(CCN1C[C@@H](C)O[C@H](C)C1)CC(N)=O 408523419 JWONJEBHGZWZEE-VXGBXAGGSA-N 257.378 0.291 0 50 CCAA CC1(C(=O)O)CCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 696841467 OHCXSJYESCXFEM-LLVKDONJSA-N 289.397 0.998 0 50 CCAA Cn1cc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)cn1 864272608 FESIRHYGPUWCPU-NSHDSACASA-N 281.312 0.277 0 50 CCAA C[C@H]1C(=O)CCN1C(=O)c1nc(Br)c[nH]1 2325804338 HBGJSSMUVCHHKH-YFKPBYRVSA-N 272.102 0.976 0 50 CCAA NC(=O)c1cc(N2CCC[C@H](C(N)=O)C2)nc(C2CC2)n1 2325850209 PGGKNCWFGIOEIQ-VIFPVBQESA-N 289.339 0.155 0 50 CCAA CCN(C)C[C@H]1CCN([C@H](C)CC(=O)N2CCOCC2)C1 225339701 HBWHRUBUQYISHA-HUUCEWRRSA-N 297.443 0.897 0 50 CCAA O=C1NC(=O)[C@](Cc2ccccc2)(C2CCNCC2)N1 67654379 JJNMDWYPBRXABC-HNNXBMFYSA-N 273.336 0.807 0 50 CCAA CO[C@@H](C(=O)N1CCC[C@@H](CO)[C@H]1CO)c1ccccc1 1364188010 HAEHCDQNZXNFKO-RRFJBIMHSA-N 293.363 0.966 0 50 CCAA CN1CCN(C(=O)c2cnn3c2CCCC3)C[C@@H]1C(=O)O 67868317 WJEWCVFOHNHNOA-GFCCVEGCSA-N 292.339 0.060 0 50 CCAA CO[C@@H]1Cc2ccccc2N(S(=O)(=O)N(C)C)C1 252486131 HHQOPRPUPMMEKZ-LLVKDONJSA-N 270.354 0.871 0 50 CCAA COC[C@H](C)N[C@@H]1CCCN(c2nccnc2O)C1 328626063 DUBCJCJHHVJEIK-WDEREUQCSA-N 266.345 0.776 0 50 CCAA CCN(C)CCNS(=O)(=O)CC[C@@H](C)CCOC 253429243 MKUHYOPOQUXXHT-LBPRGKRZSA-N 280.434 0.920 0 50 CCAA CSc1ccc(CNc2nnnn2CCO)cc1 32617165 UBNNXILHVCTOSG-UHFFFAOYSA-N 265.342 0.999 0 50 CCAA CN(Cc1nccn1C)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 234295892 VBLHQBSNWZXFSJ-VHSXEESVSA-N 265.313 0.879 0 50 CCAA C[S@@](=O)C1(CNc2ncnc(-n3cccn3)c2N)CC1 281759287 RPNANHOOMUWVAA-HXUWFJFHSA-N 292.368 0.568 0 50 CCAA CCCOCC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 330556929 FYXQJKQXMRRVQK-JHJVBQTASA-N 271.357 0.801 0 50 CCAA Cn1nncc1CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 368564597 ZVUKUJOEASULNC-JTQLQIEISA-N 291.355 0.222 0 50 CCAA O=S(=O)(c1cccc(Cl)c1)N1CCNCC1 36352078 BLZOIBGTCWDWIL-UHFFFAOYSA-N 260.746 0.934 0 50 CCAA NS(=O)(=O)c1cccc(-n2ccnc2-c2ncc[nH]2)c1 72430790 NCKWCNCRDJQUGC-UHFFFAOYSA-N 289.320 0.910 0 50 CCAA CC(C)(C)OCC(=O)N1CCOC[C@@H]1CC(=O)O 158049833 YOKKAOPOFLZDFG-VIFPVBQESA-N 259.302 0.504 0 50 CCAA CNC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)O)cn1 263030580 YTYUFIUFZUPRMY-VHSXEESVSA-N 291.307 0.424 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2nccc3ccccc23)C1 284645075 RNBJTUICIQHVNB-AAEUAGOBSA-N 299.330 0.950 0 50 CCAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@]2(C)CCCO2)n1 222326008 RGQOVGPREIUXKI-ZDUSSCGKSA-N 280.328 0.176 0 50 CCAA O=C(NC1(c2nnc[nH]2)CCC1)c1cncc(O)c1 286602501 XDRXDSWXMYIDDK-UHFFFAOYSA-N 259.269 0.715 0 50 CCAA O=C(CN1CCC[C@H](O)C1)NCc1noc(C2CCC2)n1 220136086 DDHOFXFTHUKOEL-NSHDSACASA-N 294.355 0.410 0 50 CCAA Cn1ncc(CN2CCC[C@H]2C(=O)NCc2ccco2)n1 290042159 RASJYTYTIOJHNH-ZDUSSCGKSA-N 289.339 0.689 0 50 CCAA Cn1ncc(C(=O)NCCn2cccn2)c1-n1cccc1 195239219 VIKTTZTUBWMKKJ-UHFFFAOYSA-N 284.323 0.837 0 50 CCAA CC[C@H](NC(=O)c1cc(CO)ccn1)[C@H]1C[C@H](O)C1 222257916 RUBNSQHQORTDPH-TUAOUCFPSA-N 264.325 0.853 0 50 CCAA CCOC(=O)[C@@]1(C)[C@H](N(C)C)C(C)(C)S1(=O)=O 45028141 HRHZNGNCDIBWTD-LDYMZIIASA-N 263.359 0.445 0 50 CCAA N[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 178268815 CIKDIKRQCULWPM-OLZOCXBDSA-N 294.399 0.474 0 50 CCAA CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)O)NC1 381791726 LTAROFVUFUFTCC-BDAKNGLRSA-N 258.318 0.964 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N(C)C1CCC(N)CC1 161516607 BUJAEGZYRYLIKT-HTAVTVPLSA-N 285.413 0.636 0 50 CCAA O=C([C@@H]1CCS(=O)(=O)C1)N1CCOc2ccccc2C1 426737309 APGCRXBDOSLXPS-GFCCVEGCSA-N 295.360 0.842 0 50 CCAA Cc1n[nH]c(C)c1CCCNC(=O)Nc1cn(C)nn1 96179558 WORWHBALVLYADA-UHFFFAOYSA-N 277.332 0.909 0 50 CCAA CNCCCNC(=O)c1ccc(C(C)C)n(C)c1=O 97797675 ZVEHIEGOGGFUAW-UHFFFAOYSA-N 265.357 0.848 0 50 CCAA Cc1nc(-c2ccc(S(C)(=O)=O)cc2)n(CC(=O)O)n1 96151803 RGIGWSBNLHJKHT-UHFFFAOYSA-N 295.320 0.742 0 50 CCAA Cc1ccc(C(=O)NCCCn2ccnn2)c(=O)n1C 426712183 QCVVQMFNBWKELC-UHFFFAOYSA-N 275.312 0.105 0 50 CCAA COCCCN(C)C(=O)Cn1cccc(OC)c1=O 95519411 OQRBVWVRSQUKGR-UHFFFAOYSA-N 268.313 0.352 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCCC[C@@H]1CN 237717449 WVTSNHVISSFOAQ-GFCCVEGCSA-N 280.372 0.756 0 50 CCAA Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 91726181 MGGYOCYYHWQETQ-NSHDSACASA-N 276.340 0.319 0 50 CCAA Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1CCNC1 97732380 XIFDDRYDRPQSHD-ZCFIWIBFSA-N 262.235 0.531 0 50 CCAA Nc1nc(NCc2ncc[nH]2)cc([C@H]2C[C@@H](O)C2)n1 244852766 UYIMLWXIDRUDLK-OCAPTIKFSA-N 260.301 0.632 0 50 CCAA Cn1cc(C(=O)Cn2cnc3c(c2=O)CCC3)cn1 184065088 GMWMPDAPCLUDAV-UHFFFAOYSA-N 258.281 0.348 0 50 CCAA C[C@@H](CCC(=O)NCCc1cc[nH]n1)N1CCN(C)CC1 534639501 BJWVSNJTYHZNOB-ZDUSSCGKSA-N 293.415 0.485 0 50 CCAA Cc1c(CNS(=O)(=O)N2CCCC2)cnn1C 270196249 BHPPSYVBAHRXGD-UHFFFAOYSA-N 258.347 0.159 0 50 CCAA O=C(Cc1ccccn1)NCCN1CCC(CO)CC1 828719605 GCYIJIDWVLQQOD-UHFFFAOYSA-N 277.368 0.445 0 50 CCAA O=C1CC[C@H](N2CCC(CN3CCOCC3)CC2)CCN1 828305441 ONIRAKIDEAOZBG-HNNXBMFYSA-N 295.427 0.699 0 50 CCAA CC(C)c1cc(C(=O)NCCN2CCOCC2)nc(N)n1 827587194 VPHRDHSYCJIWMS-UHFFFAOYSA-N 293.371 0.244 0 50 CCAA CN1C(=O)C[C@H](c2ncnn2CCO)c2ccccc21 670437969 RIRINPKCRURDSH-NSHDSACASA-N 272.308 0.769 0 50 CCAA CSCCC(=O)N1CCC[C@@](CO)(CN(C)C)C1 670463540 OSKBEZOMEQVYMX-CYBMUJFWSA-N 274.430 0.902 0 50 CCAA COc1nccc(C(=O)N2C[C@@H]3CCC[C@@]3(N)C2)n1 1342286961 FDLLLSMMNLEXCO-TVQRCGJNSA-N 262.313 0.439 0 50 CCAA CC(C)C1=NO[C@@H](C(=O)NCCn2ccnn2)C1 952867843 TXVUTQTXIOLDTG-SNVBAGLBSA-N 251.290 0.195 0 50 CCAA CN1CCCCC[C@@H]1C(=O)NC1CCN(CC(=O)O)CC1 952990271 XUJFQAVZGJURQW-CYBMUJFWSA-N 297.399 0.526 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)[C@H](CO)CCS2(=O)=O 91303238 HVUXRNDAOUSVLC-VIFPVBQESA-N 291.369 0.403 0 50 CCAA in-vitro C[C@H]1CN(C(=O)CN2CCCCCC2=O)C[C@]1(C)C(=O)O 1599916371 AXFIXKLVESDIRJ-NHYWBVRUSA-N 296.367 0.958 0 50 CCAA COCC1(O)CCN(C(=O)C2(O)CCCC2)CC1 408006993 DMHNQHWAZBEKAK-UHFFFAOYSA-N 257.330 0.291 0 50 CCAA NC(=O)c1ccc(C(=O)NCc2ncc3c(n2)CCC3)cc1 585088276 SJLYZGWZZLTZLC-UHFFFAOYSA-N 296.330 0.994 0 50 CCAA CCN1CCCN(C(=O)[C@H]2CCCO[C@H]2C)CC1=O 190846072 PGGCCHHDRGQXCD-RYUDHWBXSA-N 268.357 0.882 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2cc(F)c[nH]2)C1 644032835 DKQYFZAGYLQHFE-CYBMUJFWSA-N 283.303 0.257 0 50 CCAA CCS(=O)(=O)CC(=O)N1CCN2CCCC[C@H]2C1 195047814 MQEVDTVKGLVOCJ-NSHDSACASA-N 274.386 0.118 0 50 CCAA CN1C[C@H](CNc2ncc(F)c(N(C)C)n2)CC1=O 1506402102 MBYSEUDXGAXTIX-QMMMGPOBSA-N 267.308 0.572 0 50 CCAA O=C1OCC2(CCN(C(=O)[C@@H]3CCCN3)CC2)O1 1857694944 MGRFHAUVMVTHMF-VIFPVBQESA-N 254.286 0.266 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](N)c1ccccc1 110689893 VJGKVUAWEFSNPR-CHWSQXEVSA-N 275.352 0.814 0 50 CCAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)o1)C2 1875242092 NCNIJFCQPYWFDH-BDAKNGLRSA-N 298.726 0.862 0 50 CCAA NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 16650067 ZHONYLNOTKHELB-UHFFFAOYSA-N 282.365 0.889 0 50 CCAA Cc1cnn(CCC(=O)N2CCO[C@H](CC(=O)O)C2)c1 237797545 MWKSZHWCPKNRQA-LLVKDONJSA-N 281.312 0.284 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CC(F)(F)C[C@H]1CO 907587335 DIDWUMLOQVMMTF-VIFPVBQESA-N 276.283 0.249 0 50 CCAA C[C@@H](N)CCNC(=O)c1ccc2c(c1)C(=O)NCCO2 911741707 VLTDYFNPNLDUAA-SECBINFHSA-N 277.324 0.276 0 50 CCAA O=C(O)[C@@H]1CCCCN1C(=O)c1cnc2cccnn12 863981666 GNYRSJYVABXMPS-VIFPVBQESA-N 274.280 0.809 0 50 CCAA O=C(c1ccc2oc(O)nc2c1)N1C[C@H]2[C@H](O)C[C@H]2C1 1875268099 URNNTANWGLEQKP-IQJOONFLSA-N 274.276 0.986 0 50 CCAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1N=c1[nH]ccn2ccnc12 1875398915 IYSRCFFLWNSPSX-JHJVBQTASA-N 298.350 0.599 0 50 CCAA O=C(COc1ccc(F)cn1)NCc1cc(=O)c(O)co1 1875357855 ZGRBMNGQMNICBM-UHFFFAOYSA-N 294.238 0.575 0 50 CCAA COC(=O)[C@H]1CSCCN1CC(=O)NC1CCCC1 887071089 ZQZDZDGYPWISJU-LLVKDONJSA-N 286.397 0.636 0 50 CCAA NCC[C@@H]1CN(CCn2cc(Cl)cn2)CCO1 252500822 TVXFCCJSRZAHFL-LLVKDONJSA-N 258.753 0.586 0 50 CCAA Cc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)c(O)c1 262785947 JQWMLARTQOVUJA-UHFFFAOYSA-N 279.292 0.752 0 50 CCAA CN1C[C@@H](NC(=O)CCc2cn[nH]c2)CCC1=O 629964076 VXVZGDHQEFFNBW-JTQLQIEISA-N 250.302 0.079 0 50 CCAA C[C@H]1CCN(CCNC(=O)c2ccc(C(=O)O)nc2)C1 653293167 LKENIBXMINPCTI-JTQLQIEISA-N 277.324 0.851 0 50 CCAA C1CCN(Cc2nc([C@H]3CNCCO3)no2)CC1 1875273936 LFKKUWYKTWDABK-SNVBAGLBSA-N 252.318 0.716 0 50 CCAA CN(CC(=O)N(C)[C@H](CCO)C(F)F)C1CCNCC1 2325839359 QRMGRCHXPJLBCS-LLVKDONJSA-N 293.358 0.145 0 50 CCAA Cc1ccc(OCC(=O)N2CCN(C=O)CC2)cc1C 336430 AKZJONQEFPUBGL-UHFFFAOYSA-N 276.336 0.983 0 50 CCAA Nn1cnnc1SCC(=O)Nc1ccc(F)cc1 415228 MGYISGCGMOXLBP-UHFFFAOYSA-N 267.289 0.862 0 50 CCAA O=C(CO)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356144647 HBRLJPGMAFMHKV-CYBMUJFWSA-N 252.314 0.125 0 50 CCAA Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1C 4487276 IRZHTZMZTYQUNF-UHFFFAOYSA-N 259.331 0.233 0 50 CCAA O=C1CCC(C(=O)NCc2cccnc2-n2ccnc2)=NN1 67805654 ZOEOGTRVBDTYMH-UHFFFAOYSA-N 298.306 0.150 0 50 CCAA COc1ccc(OCCNCCNC(C)=O)cc1 65384204 IXVNITASOBYKOW-UHFFFAOYSA-N 252.314 0.800 0 50 CCAA CC(C)N(CCC(N)=O)C[C@]1(O)CCCN2CCCC[C@@H]21 63833772 QISVKBPRJUJCSL-GDBMZVCRSA-N 297.443 0.952 0 50 CCAA C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 248150694 TZSHOUKSGKGLKB-FPMFFAJLSA-N 292.383 0.049 0 50 CCAA O=C1c2cccnc2CN1CCCN1CCOCC1 65507856 AUWBJOTVQDNOKJ-UHFFFAOYSA-N 261.325 0.760 0 50 CCAA CN(C(=O)c1cc(Cl)c[nH]1)[C@@H]1CCS(=O)(=O)C1 138383180 QCKZEHZIMRMZLM-MRVPVSSYSA-N 276.745 0.927 0 50 CCAA CC/C=C/CC(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C 67894021 GRVLZDSKFUEKGY-WTIVYXKASA-N 267.373 0.796 0 50 CCAA COC[C@H](O)CN[C@]1(CO)CCCc2ccccc21 252490631 KYCZMPHCTYIOIO-HIFRSBDPSA-N 265.353 0.807 0 50 CCAA CCN1CC[C@H]2OCCN(C(=O)Cn3cc(C)cn3)[C@H]2C1 329511249 BZEZQHYTNCUMSA-UONOGXRCSA-N 292.383 0.513 0 50 CCAA C[C@H](N)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21 72191267 RGGHCAOKUXLARQ-CABZTGNLSA-N 261.325 0.206 0 50 CCAA CCn1nccc1/C=C/C(=O)N1C[C@@H](O)C2(CC2)C1 375286809 LYGKDOXAXLTWDS-AAOUONPWSA-N 261.325 0.900 0 50 CCAA O=C(CCc1cc(O)no1)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 72156598 GGELULJQWIJHBI-IWDIQUIJSA-N 278.308 0.949 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C(=O)N1CCOCC1)C1CC1 126869518 RMGDSPBJBHMAGV-SNVBAGLBSA-N 290.385 0.336 0 50 CCAA CCN1CCOC[C@H]1c1nc(-c2nccn2C)no1 371944493 RIAWRSGWAOLSAM-VIFPVBQESA-N 263.301 0.863 0 50 CCAA Cc1[nH]c2c(c1C(=O)N[C@H]1COC[C@@H]1O)C(=O)CCC2 218952288 JNTUOLRPQKWBPK-ONGXEEELSA-N 278.308 0.332 0 50 CCAA C[C@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)[C@@H]1C(=O)O 263109406 YHJZWYYSLKCVJO-KWQFWETISA-N 293.323 0.449 0 50 CCAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)N1CCCCC1 131801826 HQFYUTYYNMAHOH-MNOVXSKESA-N 261.391 0.529 0 50 CCAA CC(C)[C@H](O)C(=O)NCCc1nncn1C(C)C 220247998 XAOGYMOEKYUJGD-NSHDSACASA-N 254.334 0.535 0 50 CCAA CCNC(=O)c1ccc(N(C)C[C@H](C)C(=O)O)nc1 263561332 RTFFASSWZTURPP-VIFPVBQESA-N 265.313 0.988 0 50 CCAA COc1ccccc1CS(=O)(=O)[C@H]1CCNC1 40449878 IPYADHMTWMUGFC-NSHDSACASA-N 255.339 0.972 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cn2cccnc2n1 222331411 ATVLHUANBHHVAL-GHMZBOCLSA-N 276.296 0.263 0 50 CCAA CN(CCCNC(=O)NC[C@H](O)CO)c1ccccc1 426518890 BHJDLANFLUBAFQ-ZDUSSCGKSA-N 281.356 0.165 0 50 CCAA O=C(C1Cc2ccccc2C1)N1C[C@@H]2NCCO[C@H]2C1 426411165 CDVJYKSDUJCECE-GJZGRUSLSA-N 272.348 0.601 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CCC[C@@H](N)C1 426504620 QPTCNUNMDSKBHH-SNVBAGLBSA-N 272.374 0.576 0 50 CCAA CCn1ncc(C(=O)N(CCO)Cc2nccn2C)c1C 97532596 AITDYQHUGNNELN-UHFFFAOYSA-N 291.355 0.580 0 50 CCAA CCCc1nc(C(=O)NCC(=O)NCCC(=O)O)cs1 95497036 BZCMKEINHPCXJU-UHFFFAOYSA-N 299.352 0.416 0 50 CCAA O=C(CCn1cnnn1)NCCc1c[nH]c2ccccc12 524734807 PVDCZZKJUJZDAQ-UHFFFAOYSA-N 284.323 0.903 0 50 CCAA O=C([C@@H]1CNCCO1)N1CCCN(C2CCCC2)CC1 262641399 KSAIENFZWKDDPJ-AWEZNQCLSA-N 281.400 0.452 0 50 CCAA Cc1nc([C@H](C)NC(=O)Cc2sc(N)nc2C)n[nH]1 827861540 LSMVBGBDLULBKM-LURJTMIESA-N 280.357 0.880 0 50 CCAA CN1C[C@@H](NS(=O)(=O)N(C)Cc2ccccc2)CC1=O 828247882 FTIICXQIIFZLDT-LBPRGKRZSA-N 297.380 0.184 0 50 CCAA NC(=O)CN1CCC[C@@H](c2ncnn2CC(F)(F)F)C1 826838800 SJPKUCDFPWVRCF-MRVPVSSYSA-N 291.277 0.505 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)C1=NNC(=O)CC1 584889208 DUISLFNLNJCZKJ-LURJTMIESA-N 263.301 0.470 0 50 CCAA Cc1nccn1CC[C@H](C)NCCc1noc(CO)n1 670450472 YZRMGZMCNREIGV-JTQLQIEISA-N 279.344 0.678 0 50 CCAA CS(=O)(=O)CCN1CCN(C2CCCCC2)C(=O)C1 670439681 OFVRMLKICXPHHT-UHFFFAOYSA-N 288.413 0.508 0 50 CCAA O=S1(=O)CCCN1CCNc1ccc(F)cn1 241776867 RTFDBMGTIOQEBZ-UHFFFAOYSA-N 259.306 0.668 0 50 CCAA Cn1c(CN2CCCC[C@]2(C)C(N)=O)nnc1C1CC1 185885722 LNPZLCQOTVTWBM-CQSZACIVSA-N 277.372 0.922 0 50 CCAA C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](n1cncn1)C(F)(F)F 633984206 LWFOMWRMOUAOKU-DJLDLDEBSA-N 292.261 0.923 0 50 CCAA CC[C@]1(CO)CCCN1C(=O)Cn1c(C)cc(O)cc1=O 189262196 LTVSZIRHFPZOMM-OAHLLOKOSA-N 294.351 0.626 0 50 CCAA CCc1ncnc(N2CCC[C@](O)(c3cnn[nH]3)C2)c1F 583616876 POVFXRDZRIGSPM-CYBMUJFWSA-N 292.318 0.784 0 50 CCAA Cc1cc(NC(=O)[C@H]2CCCO[C@@H]2C)nc(=O)[nH]1 191942449 FMXUCZRZSOEWND-BDAKNGLRSA-N 251.286 0.832 0 50 CCAA COc1ccc(Cn2c(=O)n(C)c(=O)c3cn[nH]c32)cc1 203787980 JVYBHXSIAJRNGN-UHFFFAOYSA-N 286.291 0.480 0 50 CCAA in-vitro COCCC(=O)N1C[C@@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1529111933 BGESATSUVUJLEC-ZYHUDNBSSA-N 267.329 0.116 0 50 CCAA CCC(N)(CC)CNS(=O)(=O)N1CCCCC1 130040046 DQLYRJIYWWANED-UHFFFAOYSA-N 263.407 0.824 0 50 CCAA CC(C)c1cncnc1N1CC[C@](C)(O)[C@H](O)C1 248203187 XPXNYRJHAUGHJG-YPMHNXCESA-N 251.330 0.922 0 50 CCAA C[C@]1(CNC(=O)[C@@H]2CSCN2)CCCC[C@@H]1O 161938951 IEYSRVXBBJQVFK-JBLDHEPKSA-N 258.387 0.706 0 50 CCAA c1nncn1C1CCN(CC2COCCOC2)CC1 1857690858 OYDUQVKFKCFYLI-UHFFFAOYSA-N 266.345 0.578 0 50 CCAA Cn1nc(C(=O)NCCc2cnc[nH]2)nc1Cl 1857729775 GRMIKHMPXQCGKR-UHFFFAOYSA-N 254.681 0.164 0 50 CCAA CCc1nnc(CNC(=O)[C@@H]2CCn3nccc3C2)o1 1857713882 VQBLNQPXGPUDAY-SECBINFHSA-N 275.312 0.707 0 50 CCAA CCc1ccnc(NC(=O)CN2C(=O)NC(C)(C)C2=O)c1 1875249388 PBWSFESYQMINAB-UHFFFAOYSA-N 290.323 0.913 0 50 CCAA COc1ccc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1O 706733836 JKLDNRCRMGCWGJ-ONGXEEELSA-N 267.281 0.280 0 50 CCAA COCc1cc(CNC(=O)[C@@H]2COCCN2)ccc1F 237196237 VTLVYQGJVUFDGK-ZDUSSCGKSA-N 282.315 0.577 0 50 CCAA CN[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)nn2)C1 150977220 QGZZJMBTGPHTKD-GFCCVEGCSA-N 289.383 0.901 0 50 CCAA Cc1cc(C)n(CCNC(=O)c2ccn3ncnc3c2)n1 1155574946 ABGMGIZNPGSNPM-UHFFFAOYSA-N 284.323 0.973 0 50 CCAA COC(=O)/C=C/CNC(=O)c1csc(=NC2CC2)[nH]1 1875273315 OMMFAGPYQZVJGX-NSCUHMNNSA-N 281.337 0.598 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCCCc2cn[nH]c2)CC1 1875368884 CIDJJOGUZYDVHF-UHFFFAOYSA-N 290.367 0.883 0 50 CCAA CN(C)C/C=C/C(=O)NCCn1cc([C@@H]2CCOC2)cn1 1875377108 SJIGBWIQGKPYEM-ITDFMYJTSA-N 292.383 0.621 0 50 CCAA C[C@@H]1COC[C@@](CO)(CNCc2cn(C3CC3)cn2)N1C 1875399241 SPRRRYLJTHBAGE-DOMZBBRYSA-N 294.399 0.389 0 50 CCAA O=C(C=C1CCC1)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 886096555 CILTUYWOSCJAGF-HNNXBMFYSA-N 294.351 0.485 0 50 CCAA NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](Cc2nccs2)C1 890206751 RNZDJIQHFDMBHG-AEJSXWLSSA-N 279.365 0.656 0 50 CCAA NCCn1cc(C(=O)NC2Cc3ccccc3C2)nn1 77525233 OXVZJMAAVRXMOI-UHFFFAOYSA-N 271.324 0.134 0 50 CCAA Cn1ccc(CN2CCC[C@H](Cn3ccnn3)C2)n1 331387390 LDZZNYPATSVLSN-LBPRGKRZSA-N 260.345 0.924 0 50 CCAA CCCc1nnc(N[C@H]2CN(C)C[C@@H]2OC)s1 584896927 SZISVXYVDCFBCA-IUCAKERBSA-N 256.375 1.232 0 50 CCAA Cc1cnc(N=c2ncnc3[nH][nH]cc2-3)nc1N(C)C 2100483924 RGHDXLGIZSKNFF-UHFFFAOYSA-N 270.300 0.634 0 50 CCAA NC(=O)c1cccc(-c2nc(-n3ccnc3)n[nH]2)c1 2100554915 HRRIRMULPCKXDC-UHFFFAOYSA-N 254.253 0.756 0 50 CCAA Cn1nnc2c1[C@H](C(=O)NO[C@@H]1CCOC1)CCC2 2325773497 IWVIZWNIWYEIHJ-RKDXNWHRSA-N 266.301 0.072 0 50 CCAA COCCN(CC(=O)O)C(=O)c1cc(C(N)=O)ccc1C 2325829171 BCNSAUPYWFRQMH-UHFFFAOYSA-N 294.307 0.267 0 50 CCAA Fc1cc(N2CCOCC2)nc(N2CCOCC2)n1 174856 GIRAPFQJRCFZLP-UHFFFAOYSA-N 268.292 0.289 0 50 CCAA COC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)O 1564879 OPZWAOJFQFYYIX-MWLCHTKSSA-N 267.281 0.835 0 50 CCAA CN(C)[C@H]1CC[C@@H](CNC(=O)CCn2cnnn2)CC1 2356140241 ABRYWVGPASNHSH-TXEJJXNPSA-N 280.376 0.300 0 50 CCAA N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 2392313 WEQJQNWXCSUVMA-RYUDHWBXSA-N 262.309 0.632 0 50 CCAA endogenous,in-man COc1ccc(OC)c(CNCCOCCO)c1 2436244 DRCNHYDEWBHALG-UHFFFAOYSA-N 255.314 0.802 0 50 CCAA CN(CCn1cccn1)c1cc(NC2CC2)nc(N)n1 65419184 JEPJWRSEAWGQTG-UHFFFAOYSA-N 273.344 0.966 0 50 CCAA CCCN(C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 171408663 OLUMFIFYQUOQJC-SECBINFHSA-N 260.359 0.758 0 50 CCAA COC1(CC(=O)N2CCOC[C@H]2CC(=O)O)CCC1 234579590 CKTBPFGKOUBTMA-SNVBAGLBSA-N 271.313 0.648 0 50 CCAA Cc1nc(C)c(C(=O)N2CCN3CCOC[C@@H]3C2)o1 363870159 VWQHAPNPYZESEW-NSHDSACASA-N 265.313 0.448 0 50 CCAA Cc1nc2n(c1C)CCN(C(=O)[C@H](O)c1cccnc1)C2 369827610 HUFMONDEGQBHCW-CQSZACIVSA-N 286.335 0.971 0 50 CCAA CN1C[C@]2(CCCN(Cc3ncc[nH]3)C2)OC1=O 215644143 VGJTVZKPHPKBFL-LBPRGKRZSA-N 250.302 0.826 0 50 CCAA O=C(NCC[C@H](O)C(=O)O)c1cc2c(s1)CCC2 236540491 QGHVXAHBRZDSHH-QMMMGPOBSA-N 269.322 0.802 0 50 CCAA C[C@@H](CN)C(=O)NCCS(=O)(=O)c1ccccc1 262247974 SGLDPRDKYJNKKY-JTQLQIEISA-N 270.354 0.171 0 50 CCAA CCOc1ccnc(N2CCCN([C@@H](C)C(=O)O)CC2)n1 236993230 IIRAOODJDWRTOU-NSHDSACASA-N 294.355 0.861 0 50 CCAA Cc1cccc(N(C)C(=O)CCN2CCCS2(=O)=O)n1 172518035 YULLAZUNCOPDPT-UHFFFAOYSA-N 297.380 0.778 0 50 CCAA Cc1ccc(CC(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 172750427 VBFGBDGGWPFSGH-OAHLLOKOSA-N 289.379 0.866 0 50 CCAA COc1ccc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c(F)c1 285705081 XCXUKTDMRDIQAZ-AWEZNQCLSA-N 296.298 0.287 0 50 CCAA CSc1ncc(C(=O)N2CC(N3CCOCC3)C2)cn1 220257226 DCFHYNJWVIOAFO-UHFFFAOYSA-N 294.380 0.355 0 50 CCAA CC(=O)N[C@@H]1[C@@H](Nc2ncnc3[nH]ccc23)[C@H]2CCO[C@H]21 223037770 JZJZQIMYKDAITO-SASUGWTJSA-N 287.323 0.662 0 50 CCAA CCOCCS(=O)(=O)N1CCN(C)c2ccncc21 175843658 ZLNPZWLIZKPERV-UHFFFAOYSA-N 285.369 0.704 0 50 CCAA OCCNc1nc([C@H]2CCOC2)cc(N2CCC2)n1 426596658 UYMNSALBVRBZRM-JTQLQIEISA-N 264.329 0.595 0 50 CCAA CC(C)[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1N 91493294 WYYDYNNNHMCHCM-MNOVXSKESA-N 251.334 0.110 0 50 CCAA Cc1nonc1OCCNC(=O)C[C@@H]1CCCOC1 426535047 FQJFESHTBRLNQR-JTQLQIEISA-N 269.301 0.690 0 50 CCAA Cc1noc2ncnc(NCCSc3nnnn3C)c12 95371870 VGWSGIGGCIKCGI-UHFFFAOYSA-N 292.328 0.654 0 50 CCAA O=C(NC[C@H]1CCCN1)c1ccccc1Cn1cncn1 178781471 UXMSFNYOEBTVNU-CYBMUJFWSA-N 285.351 0.808 0 50 CCAA O=C1N[C@H](C(=O)N2C[C@@H]3CNC[C@@H]3C2)Cc2ccccc21 97610123 LCSHUYQINPLKFE-SCRDCRAPSA-N 285.347 0.019 0 50 CCAA C[C@@]1(O)CCN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1O 96164723 RYILLSNISITRRT-SMDDNHRTSA-N 277.324 0.312 0 50 CCAA C[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(C)C(=O)[C@@H]12 247944947 HTEHFYRUWUGBHN-YIPACVIGSA-N 299.330 0.081 0 50 CCAA O=C(CN1CCOC1=O)NCCc1nc2c(s1)CCC2 244741951 NZNMLOOKTIKGQY-UHFFFAOYSA-N 295.364 0.743 0 50 CCAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cnccn1 252527449 CPIHKVJYWHCOJV-IHRRRGAJSA-N 298.346 0.984 0 50 CCAA O[C@@H]1[C@H]2O[C@@H]3O[C@@H]([C@H]2OCc2ccccc2)[C@]2(CO2)[C@@H]1O3 257357363 NSMIJPILAKVWIL-UQFQIWMKSA-N 292.287 0.182 0 50 CCAA Cc1noc(C)c1C[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)O 299751021 PEHPEFZEQZXNIF-QPUJVOFHSA-N 296.323 0.782 0 50 CCAA Cn1cccc(C(=O)NCc2nc(C(C)(C)C)no2)c1=O 534662755 BMVIOGOPSNVCJO-UHFFFAOYSA-N 290.323 0.996 0 50 CCAA CCOC(=O)N1CC[C@H](NCc2nnc(N)s2)C1 534636590 MKSUZGVRNKFTKS-ZETCQYMHSA-N 271.346 0.441 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(CCS(=O)(=O)c3ccccc3)C[C@H]21 534653116 KFMYFUPFPKOKPM-ITGUQSILSA-N 295.360 0.723 0 50 CCAA Cc1ccc(OCCN)c(C(=O)N2CCOC[C@H]2CO)c1 299767419 GQBJWFDEEKDNLF-GFCCVEGCSA-N 294.351 0.166 0 50 CCAA COC(CNS(=O)(=O)CC(=O)c1ccccc1)OC 725374974 AHDVRBLZKVXACW-UHFFFAOYSA-N 287.337 0.408 0 50 CCAA CC1=NO[C@](C)(C(=O)NCCc2ncnn2C)C1 822324358 HDVJCAXZYFDQGF-NSHDSACASA-N 251.290 0.029 0 50 CCAA Cc1ncnc(C)c1C(=O)NCCc1nc(N)cc(O)n1 670459276 SBILWCXUMNFLDO-UHFFFAOYSA-N 288.311 0.144 0 50 CCAA CN(C(=O)Cc1nc(C2CC2)n[nH]1)[C@@H]1CCCCNC1=O 1412482343 KAQVIZSKADHANT-SNVBAGLBSA-N 291.355 0.352 0 50 CCAA CN(C)[C@@H](CNC(=O)c1nc[nH]n1)c1cccc(F)c1 269390289 AMBMGCGJHWSHQR-NSHDSACASA-N 277.303 0.977 0 50 CCAA CNC(=O)Cn1cc(NC(=O)[C@H]2CCCO[C@@H]2C)cn1 189017301 VGVHXPFNQTWXIB-KOLCDFICSA-N 280.328 0.383 0 50 CCAA COc1ncccc1NC(=O)CN1CCCC[C@@H](O)C1=O 644316138 OLMDWAFRIVQYQU-LLVKDONJSA-N 293.323 0.402 0 50 CCAA Cn1nncc1CC(=O)N1CC[C@@H](CN2CCCCC2)C1 669236147 SJLYDDZILAOUEZ-ZDUSSCGKSA-N 291.399 0.692 0 50 CCAA Cc1cc(C(=O)NC2=NCC(=O)N2C)c2c(C)noc2n1 585131317 RNERYEOSYXXDLH-UHFFFAOYSA-N 287.279 0.397 0 50 CCAA Cc1[nH]ccc(=NC(=O)NN2CC(=O)NC2=O)c1Cl 770652773 MADBXVZCGHGMKZ-UHFFFAOYSA-N 283.675 0.054 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cnn2ncccc12 1615618214 KQWCVZSHCSAOTB-JQWIXIFHSA-N 276.296 0.263 0 50 CCAA CC(C)CN1CCC(CN(C)C(=O)c2n[nH]c(O)n2)CC1 1506422638 FGKANKVYZRPKJL-UHFFFAOYSA-N 295.387 0.950 0 50 CCAA CN1CCN(C)[C@H](CNc2ncc(F)c(N(C)C)n2)C1 1506400180 ARFSJNZYFHTARH-SNVBAGLBSA-N 282.367 0.339 0 50 CCAA Cn1cccc1C(=O)NCCN1CCC(O)CC1 218994661 ZDQOFQCADMNGHF-UHFFFAOYSA-N 251.330 0.212 0 50 CCAA CN1CC[C@@H]2CN(C(=O)CCn3nnc4ccccc43)C[C@@H]21 216609545 KHVXVGMLELOLFK-DOMZBBRYSA-N 299.378 0.984 0 50 CCAA OC[C@H]1CN(CCc2ccc(O)cc2)CC[C@H]1O 1529161802 QMMHKPOLRJGOPR-TZMCWYRMSA-N 251.326 0.610 0 50 CCAA C[C@@H]1C(=O)NCCN1CCOc1ccccc1C(=O)O 113212122 RWSRNHDGNHLNFU-SNVBAGLBSA-N 278.308 0.584 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)c1ccc(C(=O)O)s1 110672813 UXAIVAOZEIVPGS-UHFFFAOYSA-N 282.321 0.797 0 50 CCAA CN1CCC[C@@H](CN(C)C(=O)c2cnns2)C1 115437105 XOKJDWDXVMZEHA-SECBINFHSA-N 254.359 0.952 0 50 CCAA Cc1cc([C@](C)(N)C(=O)O)ccc1P(=O)(O)O 27869371 LLEOLNUKLKCAFG-JTQLQIEISA-N 259.198 0.057 0 50 CCAA in-vitro c1ccc2c(c1)OCc1nnc(CN3CCOCC3)n1-2 1772812082 AGIOPABWPHLICZ-UHFFFAOYSA-N 272.308 0.992 0 50 CCAA O=C(CN1CCCC1)N1CCC[C@H](N2CCOCC2)C1 11874777 HLDOGYNFXGLECR-AWEZNQCLSA-N 281.400 0.405 0 50 CCAA Cc1cnc2cc(C(=O)NC[C@H]3CN(C)CCO3)ccn12 519660203 ZTENDDSIGNQEJN-ZDUSSCGKSA-N 288.351 0.703 0 50 CCAA CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1ccnn1C 129738961 WOGMTJKQTUUJGU-MRVPVSSYSA-N 275.330 0.294 0 50 CCAA CCCn1c(SC[C@@H](C)O)nc2c1c(=O)[nH]c(=O)n2C 180707 WNFCYIGGRHIQPG-SSDOTTSWSA-N 298.368 0.306 0 50 CCAA CC(C)NS(=O)(=O)N1CCC(N2CCCC2=O)CC1 408145443 IBVHTUGIQGEQDH-UHFFFAOYSA-N 289.401 0.316 0 50 CCAA NCCNS(=O)(=O)c1ccc(Br)cc1 4369091 VSTXANIIZJECGG-UHFFFAOYSA-N 279.159 0.686 0 50 CCAA in-vitro COC[C@@H]1CN(C(=O)c2cn3ccccc3n2)CCO1 265968927 JXKQHCJBJLPXRP-NSHDSACASA-N 275.308 0.822 0 50 CCAA O=C(O)C1(C(=O)N2CCN(c3cccc(O)c3)CC2)CC1 911132953 NBQLEPHCXZDHOF-UHFFFAOYSA-N 290.319 0.906 0 50 CCAA Cn1nccc1C1=CCN(CC(=O)Nc2cccnn2)CC1 930445875 LDMXDLAJNPBHRQ-UHFFFAOYSA-N 298.350 0.938 0 50 CCAA CN(CC(=O)O)C(=O)[C@@H]1CC[C@@]2(C[C@@H]2C(=O)O)C1 1875291455 ZSSORUZDRUNULT-RWYTXXIDSA-N 255.270 0.420 0 50 CCAA Cn1nc(C(F)(F)F)cc1NC(=O)c1cc(CN)[nH]n1 1875336627 DEGRMUWVAHGGSD-UHFFFAOYSA-N 288.233 0.873 0 50 CCAA CC1(C(=O)NCc2nc(-c3ccncc3)n[nH]2)COC1 1775987715 HNHFXVMAPOJQLX-UHFFFAOYSA-N 273.296 0.519 0 50 CCAA NCCC1(O)CCN(C(=O)[C@H]2CC[C@@H](N)CC2)CC1 1775986762 ZBYXIDNHLSHIMO-TXEJJXNPSA-N 269.389 0.206 0 50 CCAA O=S(=O)(Cc1cnn(CCF)c1)[C@H]1CCCOC1 899483630 RJRYKGQKQCCQOM-NSHDSACASA-N 276.333 0.946 0 50 CCAA CC(C)CN1C[C@H](C(=O)NCCc2c[nH]cn2)CC1=O 65405561 DXDISLDESDLOON-LLVKDONJSA-N 278.356 0.573 0 50 CCAA C[C@H](COc1ccccc1)NCCN(C)S(C)(=O)=O 65526915 LTCQYJBORKBHKL-GFCCVEGCSA-N 286.397 0.935 0 50 CCAA Cc1ccccc1S(=O)(=O)NC[C@@]1(O)CCCNC1 534584905 SZCPNMLDAOVECH-CYBMUJFWSA-N 284.381 0.388 0 50 CCAA CCn1ncc(CN[C@@H](C)CS(C)(=O)=O)c1C 534637120 CMDKXAUIFUBALM-VIFPVBQESA-N 259.375 0.734 0 50 CCAA O=C(O)C(=O)N1CCC[C@H](NCc2ccccc2)C1 368139284 OPQFARHWOYISIE-LBPRGKRZSA-N 262.309 0.852 0 50 CCAA O=C(C(=O)N1CC[C@@H](c2ncon2)C1)c1ccc(O)cc1 1471813819 DXMFQTKJKNMPJX-SNVBAGLBSA-N 287.275 0.974 0 50 CCAA CS(=O)(=O)N(CC(N)=O)c1cccc(Cl)c1 379660 IZNDXUPUORUUMN-UHFFFAOYSA-N 262.718 0.591 0 50 CCAA COc1cc(CNc2nnnn2C)cc(OC)c1OC 4344240 VVWLHZFNRQKVGZ-UHFFFAOYSA-N 279.300 0.848 0 50 CCAA O=C(C[C@H]1NCCNC1=O)Nc1cccc(F)c1 9698274 SNCPIVIYQHIHFH-SNVBAGLBSA-N 251.261 0.242 0 50 CCAA NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)O1 252517551 LJJGZVNOUBUYOS-BFLSOPEQSA-N 278.308 0.532 0 50 CCAA CCOCCC(=O)Nc1ccn([C@@H]2CCNC2)n1 328627939 NEVMXFNREIQSAI-SNVBAGLBSA-N 252.318 0.783 0 50 CCAA Cc1nccn1[C@@H](C)CN1C(=O)NC2(CCNCC2)C1=O 77424944 LCTQARVSBLUGRD-JTQLQIEISA-N 291.355 0.427 0 50 CCAA Cn1c(C(=O)N[C@@H]2CCNCC2(C)C)cccc1=O 335495994 PHSPKOIUACHGOA-LLVKDONJSA-N 263.341 0.503 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2ncccc2C)N(C)C1 330552396 SUDHDXKAEWVJMD-AAEUAGOBSA-N 263.341 0.725 0 50 CCAA CCCCCS(=O)(=O)N[C@@H]1CCN(C(C)=O)C1 330822060 PISFEZZWRZRUOO-LLVKDONJSA-N 262.375 0.717 0 50 CCAA O=C1NCCCC[C@@H]1n1cnc2cnccc2c1=O 32587328 FQVLXDZNPHTXRX-NSHDSACASA-N 258.281 0.633 0 50 CCAA O=C(c1ncn(-c2ccccc2)n1)N1C[C@@H](F)C[C@H]1CO 332124480 MGMVARZFHBUBOB-JQWIXIFHSA-N 290.298 0.812 0 50 CCAA Cn1cc([C@@H]2C[C@H]2C(=O)N2CC(O)(C3CC3)C2)cn1 376015506 ZWBYPAGFXAMLGQ-NWDGAFQWSA-N 261.325 0.507 0 50 CCAA COCc1nc(CN2CCN(c3ccccn3)CC2)no1 182397892 NBEGAKZJXSZGGJ-UHFFFAOYSA-N 289.339 0.933 0 50 CCAA O=C(NCCc1nc(=O)o[nH]1)c1ccn(C2CCCC2)n1 333334778 RODLBBPQQJYGNS-UHFFFAOYSA-N 291.311 0.647 0 50 CCAA CCOC(=O)c1nnc2nc(CC)nn2c1/C=C/N(C)C 72406613 MXWJCEZYHBWRRF-BQYQJAHWSA-N 290.327 0.791 0 50 CCAA Nc1nccnc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 238057517 RKPLXOMIIAJMRO-LLVKDONJSA-N 298.302 0.711 0 50 CCAA CC[C@H](C(=O)N1CCC2(CC1)CNC(=O)C2)n1cccn1 77339625 SMRPVKIWLNMAGR-GFCCVEGCSA-N 290.367 0.963 0 50 CCAA CC(=O)Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 223248506 CVWWVAJJFDWRMO-UHFFFAOYSA-N 262.313 0.901 0 50 CCAA Cc1nn(C)cc1C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 285682926 HVKQQJMMACFKDU-QWHCGFSZSA-N 278.356 0.274 0 50 CCAA CC/C=C/CC(=O)N[C@@H]1COCC[C@@H]1OCC(=O)O 223774972 YMOYJYMECZKIGK-YHROSDCASA-N 271.313 0.718 0 50 CCAA CCOc1ncccc1CNC(=O)c1ccn2nnnc2c1 97217343 RCLWKYIDSHTUHE-UHFFFAOYSA-N 298.306 0.848 0 50 CCAA Cc1cnc(CN(C)C(=O)NCc2nccn2C)[nH]1 426563265 QRTKXVAALGXFOM-UHFFFAOYSA-N 262.317 0.793 0 50 CCAA O=C1SCC[C@@H]1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239038457 DFOHOUOHNYPTFV-RXKWGBCNSA-N 281.333 0.658 0 50 CCAA C[C@H]1CCN(CC(=O)N(C)CCc2cnn(C)c2)C1=O 95522410 ORYFDXYVHCNWIF-NSHDSACASA-N 278.356 0.289 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)COC[C@H]1CCOC1 299741333 DUKYMIPAMSMNJL-UWVGGRQHSA-N 257.286 0.115 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N1c2ccccc2CO[C@@H]13 263592339 JAKDDXGVWGWOEV-ZTJZGAFRSA-N 299.282 0.914 0 50 CCAA CCOC[C@@H](O)CNC(=O)NCCc1cccnc1 355932326 FDAWSVNHPSYHHF-LBPRGKRZSA-N 267.329 0.321 0 50 CCAA CCN(CC)CC1(NS(=O)(=O)c2cn[nH]c2)CC1 534592808 MZIHZKUQMRBYIU-UHFFFAOYSA-N 272.374 0.562 0 50 CCAA Cn1cc(NC(=O)N[C@@H](c2nccn2C)C2CC2)nn1 299769004 KZTSPJYTDSRHQX-SNVBAGLBSA-N 275.316 0.821 0 50 CCAA CC(C)n1cnnc1[C@@H](C)NC(=O)CN1CCC(O)CC1 299785764 KLMCGZYXTAKLMT-LLVKDONJSA-N 295.387 0.493 0 50 CCAA COCc1nc(CCN2CCCCCC2=O)n(CCO)n1 824485242 WFQVJGFXKVTJEI-UHFFFAOYSA-N 296.371 0.362 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)CN1CCCN(C)CC1 584885437 DYOPJCXAOYOEND-NSHDSACASA-N 293.415 0.841 0 50 CCAA CCCN1C(=O)N[C@H](Cc2nc(-c3ccco3)n[nH]2)C1=O 822919243 ZAXZTVOBHLDMMA-MRVPVSSYSA-N 289.295 0.938 0 50 CCAA CC(C)(CNS(=O)(=O)N1CCCC1)N1CCCC1 821746061 PRDNSBMEWLYOIJ-UHFFFAOYSA-N 275.418 0.791 0 50 CCAA OCCCCCN1CCN(Cc2csnn2)CC1 585136386 DGJNETRZKOSTML-UHFFFAOYSA-N 270.402 0.818 0 50 CCAA O=c1c(CN2C[C@@H](CO)[C@H](CO)C2)coc2ccccc12 670437251 HPDRHOVOPUMJLN-RYUDHWBXSA-N 289.331 0.826 0 50 CCAA CC(C)c1nccc(CN2C[C@H](O)[C@@H](N(C)C)C2)n1 670461245 GCUBDOBBRSZCDX-STQMWFEESA-N 264.373 0.707 0 50 CCAA COCc1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2 670444179 KAEWYJVBRCFCNB-UHFFFAOYSA-N 286.335 0.930 0 50 CCAA NCCCC[C@@H]1NC(=O)[C@H](C2CCCCC2)NC1=O 670471660 RJERORXOKFPRBZ-RYUDHWBXSA-N 267.373 0.679 0 50 CCAA CC(C)(CN1CCCCCC1)NC(=O)[C@@H]1CNC(=O)C1 952969145 HUVQKYBQHNJBQR-LBPRGKRZSA-N 281.400 0.893 0 50 CCAA N[C@@H](c1nccs1)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958528708 ZRRYDPCHENXODQ-ZDFLMOLOSA-N 288.394 0.614 0 50 CCAA CC(C)(C)n1nc(CC(N)=O)nc1CCc1cn[nH]c1 952988894 QNWCDLBBOOOKHM-UHFFFAOYSA-N 276.344 0.569 0 50 CCAA CC(C)CN1CCN(C[C@@H]2[C@H]3CNC[C@H]32)C[C@@H]1CCO 952965470 QUDGPZIOYNLREJ-CAOSSQGBSA-N 281.444 0.476 0 50 CCAA CC(C)C[C@H]1C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1C 952860357 NCDWRRDVFHTCJS-QWRGUYRKSA-N 264.329 0.324 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CC1)CNCC(=O)N2 95698570 UGNMVPZKSAAWFS-UHFFFAOYSA-N 269.345 0.476 0 50 CCAA in-vitro C[C@@H](c1nnnn1C1CC1)N1CCc2[nH]ncc2C1 277034952 SKSNBPISWFPYOK-QMMMGPOBSA-N 259.317 0.850 0 50 CCAA COc1ccc2c(c1)[C@H](C(=O)N[C@@H](C)C(N)=O)CC2 277558668 ZMMPYYBZEAEGDX-GZMMTYOYSA-N 262.309 0.715 0 50 CCAA CCOC(=O)c1cnn(Cc2ccc(C(=O)NC)cc2)n1 585118650 XKIRUARWZFQCDF-UHFFFAOYSA-N 288.307 0.863 0 50 CCAA NC(=O)CN(C(=O)c1ccc2nc[nH]c2n1)C1CCCC1 680424694 BFMGMOHOFFVNBN-UHFFFAOYSA-N 287.323 0.828 0 50 CCAA CC(C)C(=O)N1[C@H](C(=O)N(C)C)C[C@@H]2OCC[C@@H]21 1615589420 PRCQTRKBPCXTEP-DCAQKATOSA-N 254.330 0.489 0 50 CCAA Cc1ccc2c(=O)n(CC(=O)Nc3ccon3)nnc2c1 1644044911 VLUXFQUKPVFABP-UHFFFAOYSA-N 285.263 0.727 0 50 CCAA CCOCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529120624 GBTZBRXROZZPGK-UKRRQHHQSA-N 279.336 0.984 0 50 CCAA CCN(CCN1CCCC1)c1nc(N)nc2[nH]cnc12 1529189724 VTCINRJQOFJGAN-UHFFFAOYSA-N 275.360 0.857 0 50 CCAA CCc1c(C)nn(C)c1NC(=O)CCNS(C)(=O)=O 1529180094 AXWSHIYJTLWSTJ-UHFFFAOYSA-N 288.373 0.169 0 50 CCAA CN1CCN(C(=O)c2cccc3nccnc23)CC1=O 19789653 CILWEXVVAXTNPF-UHFFFAOYSA-N 270.292 0.544 0 50 CCAA CCCOC(=O)[C@@H](C)Nc1nnc(=S)[nH]c1O 1748840 ILVKJTDPVJACNN-RXMQYKEDSA-N 258.303 0.993 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC[C@H](C)N1CCCCC1=O 907647479 JCWPJYBWTSUHSY-LBPRGKRZSA-N 295.383 0.538 0 50 CCAA CN1C[C@H](O)C[C@@H]1CNC(=O)C[C@H](O)c1cccc(F)c1 924989712 TYOMNPWEVPQUSR-MCIONIFRSA-N 296.342 0.430 0 50 CCAA CC[C@H]1CN(C)CCCN1C(=O)CCc1cnn(C)n1 846973894 QZLBWVKUDVLREN-ZDUSSCGKSA-N 279.388 0.690 0 50 CCAA O=C(c1c[nH]c(=O)cn1)N1CCC(C2CCNCC2)CC1 1161210117 MSOUTBVKCOPLKS-UHFFFAOYSA-N 290.367 0.622 0 50 CCAA OCC(F)(F)CN1CCN(c2ncc(F)cn2)CC1 874434833 FOMQTXMTQOKUQF-UHFFFAOYSA-N 276.262 0.365 0 50 CCAA CN=c1[nH]nc(SC[C@@H]2CC(F)(F)C(=O)N2)s1 1875275608 CLMPVJBELLLCQU-BYPYZUCNSA-N 280.325 0.618 0 50 CCAA Cn1cc([C@@]2(CNC(=O)Cc3ccon3)CCCO2)cn1 890153500 ARNCXOJDMPDFMC-AWEZNQCLSA-N 290.323 0.773 0 50 CCAA Cn1c(C(N)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1776006630 YPGIDMURIWQABE-JTQLQIEISA-N 279.344 0.167 0 50 CCAA Cc1ncoc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 74686276 YNOYNENVSDNWEE-UHFFFAOYSA-N 295.320 0.560 0 50 CCAA Cn1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)n1 311314838 ZFLRFPOSSQYBSL-STQMWFEESA-N 257.293 0.808 0 50 CCAA Cn1ncc(Br)c1CN1CCn2cnnc2C1 408366940 QBNRKJSUMFFTMU-UHFFFAOYSA-N 297.160 0.790 0 50 CCAA Cc1ccsc1C(=O)N1CCC(S(N)(=O)=O)CC1 342151236 RWDNXLROYOLACQ-UHFFFAOYSA-N 288.394 0.950 0 50 CCAA CC1(C)C(C)(C)C1(C(=O)O)C(=O)N1CC=C(N)N1 2325796440 QJGHAWJVUSUPTD-UHFFFAOYSA-N 253.302 0.270 0 50 CCAA O[C@@H]1[C@@H](Nc2ccc(Cl)cc2)OC[C@@H](O)[C@H]1O 3897442 GFNOCUJAOLWDMO-ZNSHCXBVSA-N 259.689 0.191 0 50 CCAA CCn1cc(CN(CC(C)C)C[C@H](O)CO)cn1 55182767 ZYBNHYGMVPSGNT-ZDUSSCGKSA-N 255.362 0.714 0 50 CCAA CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1 224731504 FEOPHFOFVJSRPD-GFCCVEGCSA-N 290.319 0.983 0 50 CCAA O=C(NCc1cccnc1)c1cccc(-n2cnnn2)c1 20730499 ZTHABCKSPAAQPG-UHFFFAOYSA-N 280.291 0.987 0 50 CCAA CN1CCN(C(=O)c2csc3c2CCNC3)CC1 10231856 UYCHXYXECHLDOF-UHFFFAOYSA-N 265.382 0.781 0 50 CCAA O=C([C@@H]1CCOC1)N1CCC(CN2CCOCC2)CC1 66917923 AZOYNWBEASSHCZ-CQSZACIVSA-N 282.384 0.594 0 50 CCAA CSc1ncc(CNC(=O)c2cnccn2)n1C 219958873 BJJRJQMIYQXFES-UHFFFAOYSA-N 263.326 0.862 0 50 CCAA CN1CC[C@@H](N2CCCC[C@H](S(C)(=O)=O)C2)C1=O 328616543 SPTYCAJXFHSNHA-WDEREUQCSA-N 274.386 0.116 0 50 CCAA Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccon1 328629552 OYZDHVAAGYEIQS-LDYMZIIASA-N 262.269 1.124 0 50 CCAA CN1C(=O)[C@@H](CC(=O)NCC2=CCCCC2)N(C)C1=O 71661223 WODAFEXGLOKEIX-LLVKDONJSA-N 279.340 0.886 0 50 CCAA Cc1nc2cc(C(=O)N[C@@H]3CCC(=O)NC3=O)ccc2o1 281563066 LWSHYSTXASCIHF-SECBINFHSA-N 287.275 0.671 0 50 CCAA O=C(O)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 364183231 DXAZMKCBUBZENY-LBPRGKRZSA-N 277.324 0.494 0 50 CCAA Cn1nncc1CN1CC[C@]2(C1)C(=O)Nc1ccccc12 364451218 YPWZLQOBGPAMHL-OAHLLOKOSA-N 283.335 0.911 0 50 CCAA O=C(CSc1ncn[nH]1)N1CCC2(CCNCC2)CC1 71759402 WCKHYXZYSYDDMK-UHFFFAOYSA-N 295.412 0.889 0 50 CCAA CCCS(=O)(=O)CC(=O)N1CCc2n[nH]cc2C1 330535375 ORJCJVXAMZMFOA-UHFFFAOYSA-N 271.342 0.119 0 50 CCAA CC(C)[C@@H](NC(=O)C1(C(N)=O)CC1)c1nccn1C 219616239 PLCRDUKTYMJEDL-SECBINFHSA-N 264.329 0.499 0 50 CCAA COC[C@]1(C(=O)O)CCN(C(=O)[C@H]2CC2(C)C)C1 261560956 FNTOYTPGLRSCSH-RNCFNFMXSA-N 255.314 0.982 0 50 CCAA CO[C@H]1CN(C(=O)CCCc2cn[nH]c2)CC[C@H]1N 71751017 MHUIBDFPGPBTPL-NEPJUHHUSA-N 266.345 0.307 0 50 CCAA Cc1cc(C(=O)NCCc2cnc[nH]2)c(=O)n(C)c1C 215335667 OXRBYVKPITUTRA-UHFFFAOYSA-N 274.324 0.698 0 50 CCAA Cn1cnc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1 219279101 OPHQEFWUNRPEQK-STQMWFEESA-N 293.367 0.982 0 50 CCAA C[C@@H]1CC[C@H](C(=O)N[C@]2(C(=O)O)CCSC2)O1 157903476 MPEFANFUTBKISW-SOCHQFKDSA-N 259.327 0.630 0 50 CCAA CCNCC(=O)NC1CCN(C(=O)OCC)CC1 44291073 ZYAKTEPLRKBOSW-UHFFFAOYSA-N 257.334 0.333 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1CC[C@@H](C(=O)O)[C@@H]1C 284921237 BUKHHZUTHGRYIT-DTWKUNHWSA-N 287.341 0.212 0 50 CCAA Cc1nn(C)cc1C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 285682928 HVKQQJMMACFKDU-STQMWFEESA-N 278.356 0.274 0 50 CCAA CN(CCC1CCOCC1)C(=O)CCn1cnnn1 220108580 WLLDHBAFVCZLNJ-UHFFFAOYSA-N 267.333 0.338 0 50 CCAA CN(Cc1nnc[nH]1)[C@@H]1CCCN(c2ccn(C)n2)C1=O 177145958 PIGJZSLFGKCDDX-SNVBAGLBSA-N 289.343 0.166 0 50 CCAA Cc1cnc([C@@H](C)NC(=O)CN2CCN(C)C2=O)[nH]1 426662439 PBJSNGJUAWWCNS-SECBINFHSA-N 265.317 0.263 0 50 CCAA C[C@H](C(=O)NCCCc1nnc(N)s1)n1cccn1 426562810 CBHXERSTRRHPQY-MRVPVSSYSA-N 280.357 0.627 0 50 CCAA CC(C)Cc1noc([C@@H](C)NC(=O)c2cncc(=O)[nH]2)n1 426536293 NXXMXLTWBAIZBG-MRVPVSSYSA-N 291.311 0.842 0 50 CCAA CSCCCNC(=O)c1cccc(S(N)(=O)=O)c1 95375860 APYRDPIKVTUOMB-UHFFFAOYSA-N 288.394 0.817 0 50 CCAA CN(C)[C@H]1CN(C(=O)CCCn2cnnn2)C[C@@H]1C1CC1 91893962 LEMZEVMYIKOQLZ-OLZOCXBDSA-N 292.387 0.252 0 50 CCAA Cc1noc(CN2CC3(CCN(C)CC3)CC2=O)n1 95510971 UUIFHGDEXYQFAP-UHFFFAOYSA-N 264.329 0.822 0 50 CCAA COc1cccc(C)c1NC(=O)N(C)C[C@@H](O)CO 95520246 BMWSQSQVSMAJOV-SNVBAGLBSA-N 268.313 0.821 0 50 CCAA O=C(CN1CCc2n[nH]cc2C1)NC[C@H]1CCCO1 244685557 ISJYSXVXUNEWIB-LLVKDONJSA-N 264.329 0.063 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25C[C@@H]6C[C@H]6C[C@]12[C@H]5[C@H]43 248004403 BKAQNBNJLVGXDL-QFSXHGRUSA-N 283.331 0.366 0 50 CCAA CNC(=O)c1cccc(CCNC(=O)[C@H]2C[C@H]2C(=O)O)c1 299749694 LIYQLCRPPWFLSU-NWDGAFQWSA-N 290.319 0.426 0 50 CCAA O=C(O)CNc1ncc(CN2CCC(F)CC2)cn1 534581022 KZSZOMDVATZBLJ-UHFFFAOYSA-N 268.292 0.907 0 50 CCAA CC(=O)N1CCC[C@H](NC(=O)c2c(C)ncn2C)C1 534675558 UATBWNDTNLONJX-NSHDSACASA-N 264.329 0.469 0 50 CCAA Cc1cc(C)c(C(=O)NCc2nnc(N)s2)c(O)n1 534648552 MPMIYOZPWWHGEF-UHFFFAOYSA-N 279.325 0.768 0 50 CCAA O=C(NC[C@@]1(O)CCNC1)Nc1cc(F)c(F)cc1F 299776614 AOOIWHFFZIMFLW-GFCCVEGCSA-N 289.257 0.950 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)c1ncoc1C 584885106 CNOHXBSJJADMKH-QMMMGPOBSA-N 279.300 0.712 0 50 CCAA CNc1cc(N2CCN(CCO)C(C)(C)C2)ncn1 585139207 UZDBPQDYCASPDE-UHFFFAOYSA-N 265.361 0.411 0 50 CCAA CCc1nc(CCNC(=O)Cc2sc(N)nc2C)no1 584894118 RHXQMGHGTSUPMN-UHFFFAOYSA-N 295.368 0.881 0 50 CCAA O=C(Cc1ccncc1)NCCCN1CCCC[C@H]1CO 670464047 HMTIPWLCXNOGHD-HNNXBMFYSA-N 291.395 0.977 0 50 CCAA Cc1nnnn1-c1cccc(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1 1074582627 NULAZWYAEMPVKL-BFHYXJOUSA-N 299.334 0.878 0 50 CCAA CN1C[C@@H](CNS(=O)(=O)CC2CCCC2)CC1=O 681822066 VSQISDRPFVZLTH-LLVKDONJSA-N 274.386 0.574 0 50 CCAA CC(C)(NC(=O)Cc1ncc[nH]1)[C@@H](O)C(F)(F)F 1353776881 FVZHEILGIIZDNQ-MRVPVSSYSA-N 265.235 0.770 0 50 CCAA COC[C@H](NC(=O)C1=C(C)OCCO1)c1ccnn1C 952973112 BLMWATSWGXAHFA-JTQLQIEISA-N 281.312 0.502 0 50 CCAA COCCN(CC(=O)O)C(=O)Cc1ccc2c(c1)OCO2 269158492 WHQCBWQIAZVNKC-UHFFFAOYSA-N 295.291 0.517 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cnn(CC(N)=O)c1 277110674 XWVREWYOQKKWHF-QWRGUYRKSA-N 280.328 0.512 0 50 CCAA CCCCc1cc(NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)[nH]n1 170607970 LWYGRZXMTBKEMQ-ZJUUUORDSA-N 280.328 0.724 0 50 CCAA C[C@H](O)[C@@H]1CN(C(=O)N[C@@H]2CCCn3nccc32)CCO1 637758666 DSJSKARFYIETIF-LOWVWBTDSA-N 294.355 0.509 0 50 CCAA O=C(Nc1cnn(Cc2ccccn2)c1)[C@H]1C[C@H](F)CN1 188751102 ILBGMOYJSUWFNF-GXFFZTMASA-N 289.314 0.965 0 50 CCAA CNC(=O)C1CN(c2ccc3nnc(C(F)F)n3n2)C1 681011666 UWQQBVUTBLUWEM-UHFFFAOYSA-N 282.254 0.244 0 50 CCAA Cc1ccc(CCNC(=O)N2CC(=O)N[C@@H](C)C2)o1 655054518 IEDLJXHMTMWDNV-VIFPVBQESA-N 265.313 0.660 0 50 CCAA COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@]3(C(=O)O)C2)cn1 570805563 LEQJMTATUPBLRT-QPUJVOFHSA-N 298.320 0.185 0 50 CCAA O=C(CCC(=O)N1C[C@H](O)[C@@H](F)C1)NC1CCCC1 1615707911 PZZWCDBYRRIGNE-QWRGUYRKSA-N 272.320 0.367 0 50 CCAA COc1cc(OC)nc(NCCN2CCCC[C@@H]2CO)n1 1529185391 MGIGTRCUWFGFNA-LLVKDONJSA-N 296.371 0.753 0 50 CCAA CCN1CCC[C@H](CN(C)CCn2cnnc2)C1 1529119987 PSPJDGLKGAJCGB-CYBMUJFWSA-N 251.378 0.942 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)C[C@@H]1CCOC1 408026912 JVWYIFWLIWGJAJ-WOPDTQHZSA-N 293.385 0.088 0 50 CCAA CCCS(=O)(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704333572 AXTZXPXFGWLUHK-CHWSQXEVSA-N 284.381 0.969 0 50 CCAA CCOC(=O)c1nc(NC(=O)[C@@H](O)C2CCC2)c[nH]1 590754020 NFHJUQSDTHZQFI-VIFPVBQESA-N 267.285 0.686 0 50 CCAA CSCCC(=O)N1C[C@@H]2CNC[C@@]2(CN(C)C)C1 1772700723 DRIUBIRRNFBNGF-WCQYABFASA-N 271.430 0.349 0 50 CCAA C[C@H]1CN(c2ncnc3c2CN(C)CC3)C[C@@H]1CO 1857527189 ZXCPXCFEXRBYBL-WDEREUQCSA-N 262.357 0.529 0 50 CCAA O=C(NCCCn1ccnn1)[C@@H]1CCn2nccc2C1 1857673404 IGCXBBCFZVPPBQ-LLVKDONJSA-N 274.328 0.244 0 50 CCAA Cc1cc(Cl)ccc1C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875249520 YPWBHYJDOUAORN-FDYHWXHSSA-N 297.738 0.905 0 50 CCAA O=C(NCC[C@H](O)C(=O)O)OCc1ccccc1 2145780 ULKOBRDRCYROKY-JTQLQIEISA-N 253.254 0.748 0 50 CCAA in-vitro O=C(c1conc1C1CC1)N1CCN2C(O)=NC[C@H]2C1 329222218 WAWSNOSEZNCAMH-VIFPVBQESA-N 276.296 0.606 0 50 CCAA O=C(NC[C@H](CCO)c1ccccc1)[C@@H]1CCNC1 262625124 IOWCSIGSNKHUGH-UONOGXRCSA-N 262.353 0.878 0 50 CCAA Cc1ccoc1CC(=O)N1C[C@@H]2COCC[C@]2(C(N)=O)C1 952850338 KPSYNIZTMQWVHC-ABAIWWIYSA-N 292.335 0.481 0 50 CCAA CCOC(=O)[C@@]1(F)CN(C(=O)NC(C)C)CC12COC2 1875269493 HXOGEGAVNRZEFF-ZDUSSCGKSA-N 288.319 0.708 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 888076996 BTEGILZVJFGPJH-OUCADQQQSA-N 289.339 0.256 0 50 CCAA COC1(OC)CCOC[C@@H]1NC(=O)Nc1ccccn1 888096170 WGIQIEXMOAYCIG-JTQLQIEISA-N 281.312 0.981 0 50 CCAA CCOc1cc(N2CC(O)(c3cnnn3C)C2)nc(C)n1 1775276763 MCBIVYCYARNMAM-UHFFFAOYSA-N 290.327 0.020 0 50 CCAA Nc1cc(N2CCN(C3CCSCC3)CC2)nc(N)n1 65526736 BVMOXGYBOWKAHH-UHFFFAOYSA-N 294.428 0.659 0 50 CCAA NCC[C@H](NC(=O)[C@H]1CCc2nccn2C1)C(F)(F)F 655464716 GABGFFVYNCSLDY-IUCAKERBSA-N 290.289 0.841 0 50 CCAA Cc1nc(N)ncc1C(=O)NCCCn1cc(Cl)cn1 584898922 VQVYWRDZAXJHNG-UHFFFAOYSA-N 294.746 1.037 0 50 CCAA COc1c(C)[nH]ccc1=NC(=O)Cc1nonc1C 2100545008 NVYDCKIPVKPPEN-UHFFFAOYSA-N 262.269 0.693 0 50 CCAA CCOC(=O)c1c[nH]c2nc(-c3cccnc3)nn2c1=O 101192782 BHCIMDMIOUWGOF-UHFFFAOYSA-N 285.263 0.656 0 50 CCAA Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1 22934972 YLABIKSHOMGOOV-UHFFFAOYSA-N 261.369 0.972 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H]2CNC[C@@]2(C(=O)O)C1 307656435 QLRBCEKKWVQZGG-PRHODGIISA-N 256.302 0.528 0 50 CCAA CC1(C)COCCN1CCNC(=O)Cc1ccon1 330945181 GTYMWJVUVOLPBE-UHFFFAOYSA-N 267.329 0.444 0 50 CCAA COc1ccc(C(=O)N2CC[C@](O)(CN(C)C)C2)cc1O 72174318 RZPCGKNXHAESGK-HNNXBMFYSA-N 294.351 0.539 0 50 CCAA CC1(C)[C@@H]2CN(C(=O)c3cn(C4CCNCC4)nn3)C[C@H]21 262606307 BWRWAJBBKRAQJR-VXGBXAGGSA-N 289.383 0.931 0 50 CCAA Cc1cc(C)c(C(=O)N2CCC[C@H](O)C2)c(=O)[nH]1 35187382 BMOVAIKDUNZXLL-JTQLQIEISA-N 250.298 0.589 0 50 CCAA CN1CC[C@H]2CN(C(=O)C3CCOCC3)C[C@@]2(C(=O)O)C1 219598041 WVHHUFPZGWRFQB-WFASDCNBSA-N 296.367 0.278 0 50 CCAA c1cncc([C@H](CNc2ncncn2)N2CCOCC2)c1 219186820 ZWMFCXXWEQPRAF-ZDUSSCGKSA-N 286.339 0.752 0 50 CCAA COc1nccnc1CNCC1(N2CCOCC2)CC1 333519469 GPLFHWYWAHUJTN-UHFFFAOYSA-N 278.356 0.440 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(C2CC2)C1 335790622 PEZCXESEHUVPNN-ONGXEEELSA-N 252.314 0.592 0 50 CCAA CC(C)c1occc1C(=O)N1CCC[C@@](O)(C(N)=O)C1 285448322 JHMJZRUFUUYFFF-AWEZNQCLSA-N 280.324 0.855 0 50 CCAA Cc1cc(=O)[nH]c(CCNC(=O)[C@H]2CCC[C@H](O)C2)n1 223404313 LYYPAXPXBHEXEJ-QWRGUYRKSA-N 279.340 0.288 0 50 CCAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cncc(=O)[nH]3)C2)n1 426425144 FQVGIUFYKDSQPI-NSHDSACASA-N 287.323 0.670 0 50 CCAA COCCn1cnnc1CCNC(=O)c1ccn(C)c1C 426522845 GDLUBVFKRPTKAS-UHFFFAOYSA-N 291.355 0.544 0 50 CCAA O=C(O)CCN1CCN(C(=O)[C@H]2CC[C@@H](O)CC2)CC1 426493187 MXIATUICPVGGEZ-TXEJJXNPSA-N 284.356 0.156 0 50 CCAA COCC[C@@H]1COCCN1C(=O)CCc1ncc[nH]1 330919194 NXKUTSKKBWYGLM-LLVKDONJSA-N 267.329 0.606 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C1CC1 91724850 LNDRZVUVSURKLG-NWDGAFQWSA-N 267.325 0.982 0 50 CCAA CN1CCN(C)[C@H](CC(=O)NCCc2cccnc2)C1 244852810 UZMLIFLHTLONDR-CQSZACIVSA-N 276.384 0.376 0 50 CCAA COCCN1C[C@H](Cc2cc(N(C)C)ncn2)CC1=O 252482682 DMAGUGQEFGWCIU-LLVKDONJSA-N 278.356 0.580 0 50 CCAA COC(=O)c1cn(-c2cccnc2)cc2c(=O)[nH]nc1-2 252489769 JZVOVPGBKXTCCG-UHFFFAOYSA-N 270.248 0.847 0 50 CCAA O=c1nc(CN2CC[C@H](n3cnc4c3CCCC4)C2)[nH][nH]1 299745203 WOXOQJGSXQCUGL-JTQLQIEISA-N 288.355 0.620 0 50 CCAA CCOC[C@H]1CN(C(=O)NC[C@@H]2CCCO2)CCO1 624339763 UJELARFWLKUSLQ-NWDGAFQWSA-N 272.345 0.612 0 50 CCAA Cc1ccc(C(=O)N[C@@]2(CCO)CCOC2)nc1C 298618009 OVXKKXNUNGGJKI-AWEZNQCLSA-N 264.325 0.970 0 50 CCAA CCCn1cc(S(=O)(=O)N2CC[C@H]3CNC[C@H]32)cn1 534585014 VVMCTNBDIADNDS-CMPLNLGQSA-N 284.385 0.276 0 50 CCAA CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2)C1 536948656 AMSKONDFCJQUPY-UHFFFAOYSA-N 255.318 0.085 0 50 CCAA COc1ncc(CN(C)[C@H]2CCS(=O)(=O)C2)cn1 824852039 ONPWPRPFKJHXDL-JTQLQIEISA-N 271.342 0.104 0 50 CCAA CCN1CCN(C(=O)[C@H]2CC(=O)OC23CCCC3)CC1=O 584889435 QTRLBVQEKGJIAD-LLVKDONJSA-N 294.351 0.553 0 50 CCAA Cc1nnnn1CCC(=O)NC1(CO)CCCCCC1 584886151 YXYMPGZQXZIBPR-UHFFFAOYSA-N 281.360 0.573 0 50 CCAA Cc1nn(CCNC(=O)c2cncnc2O)c(C)c1C 584895522 QRZPFQHGTAKSHT-UHFFFAOYSA-N 275.312 0.734 0 50 CCAA C[C@H](NC(=O)CCNS(C)(=O)=O)C1=CCCCC1 670445147 PICIEAQMXSRIBH-JTQLQIEISA-N 274.386 0.931 0 50 CCAA Cc1cc(CCNC(=O)[C@@H]2C[C@H](N)[C@H]3C[C@H]32)nn1C 1342656894 FFWDBNHMEAMKHX-XQHKEYJVSA-N 262.357 0.371 0 50 CCAA c1cn(C2CC2)c(CN2CCN([C@H]3CCNC3)CC2)n1 244691559 JEZBNPDLWLFDPL-AWEZNQCLSA-N 275.400 0.698 0 50 CCAA COCCN1C[C@H](C(=O)N2CCC(F)CC2)CC1=O 881609731 FGSQKMUTWSIHGQ-SNVBAGLBSA-N 272.320 0.442 0 50 CCAA CC[C@@H]1C[C@H](C(=O)N2CC[C@@](C)(C(N)=O)C2)CC(=O)N1 408328369 WTFLWTKGOXIKPE-IMSIIYSGSA-N 281.356 0.015 0 50 CCAA COCc1noc(CN2CCN(Cc3cc[nH]c3)CC2)n1 188797096 YWBFMDFOYSPLSP-UHFFFAOYSA-N 291.355 0.862 0 50 CCAA CC1CCC(N(C)C(=O)CN2C[C@H](O)C[C@]2(C)CO)CC1 583650906 BHGZGHZCPGUCHR-UWTIDYAISA-N 298.427 0.841 0 50 CCAA COC1CN(C(=O)c2ncn(-c3ccccc3)n2)C1 678143588 PXFUWGOZIGLIME-UHFFFAOYSA-N 258.281 0.738 0 50 CCAA O[C@@H](CN1CCOCC1)CN1CCC(c2ccn[nH]2)CC1 195512789 BIUNLOZCDUWLEG-CQSZACIVSA-N 294.399 0.282 0 50 CCAA CN(C)CCCC(=O)N1CCC[C@H](CCNCC(N)=O)C1 1698678613 AJOXJLBPHBEHPY-CYBMUJFWSA-N 298.431 0.032 0 50 CCAA Cc1cc(C(=O)O)nc(N[C@@H]2CC=CC[C@H]2C(N)=O)n1 1506415454 YHEMQQMOJIKSPQ-RKDXNWHRSA-N 276.296 0.715 0 50 CCAA COCc1nsc(N(C)[C@H](C)C[S@](C)=O)n1 302867427 WHFNDHQDRVETQL-QZTNRIJFSA-N 263.388 0.888 0 50 CCAA COc1ccc(C)nc1N1CCO[C@H](C(=O)N(C)C)C1 1857676420 SGWVMRQYXLVAOU-LBPRGKRZSA-N 279.340 0.692 0 50 CCAA NC(=O)c1ccc(S(=O)(=O)N2CCSCC2)cc1 6697645 QFAMCZLYCJTOMM-UHFFFAOYSA-N 286.378 0.523 0 50 CCAA OCCOc1ccc(CN2C[C@@H]3[C@@H](C2)C3(CO)CO)cc1 1772805921 RMGXSODVZIIUCS-HUUCEWRRSA-N 293.363 0.090 0 50 CCAA C[C@@H]1NC(=O)[C@H]2CN(CC3CCCCC3)CCN2C1=O 14541859 SCDCVAQLNQIWKT-WCQYABFASA-N 279.384 0.598 0 50 CCAA C[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3ccsc3)CN2C1=O 14749177 NXSFQZAARLTMSL-LSJOCFKGSA-N 279.365 0.326 0 50 CCAA COCCN1C[C@@H](c2nc(C(=O)OC)c(C)[nH]2)CC1=O 19787378 KHNUNDMGMCHECT-VIFPVBQESA-N 281.312 0.467 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1ccc(CO)cc1 643823689 YJBDZZIYKPPPBP-OAHLLOKOSA-N 278.352 0.645 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)[C@H]1COc2ccccc21 129421640 OOMQLELAXSGPGJ-JQWIXIFHSA-N 291.303 0.865 0 50 CCAA CC(C)[C@@H]1CN(c2ccc(S(N)(=O)=O)cn2)CCCO1 338844948 BITOAUOGNPQZDM-LBPRGKRZSA-N 299.396 0.980 0 50 CCAA CCO[C@H]1C[C@H](NC(=O)CN2CSCC2=O)C12CCC2 152135331 VKSTZTWBRJISHT-QWRGUYRKSA-N 298.408 0.983 0 50 CCAA O=C(Nc1cnc(N2CCNCC2)nc1)C1CC(F)(F)C1 1875270220 RBPDSZKGXCMEMV-UHFFFAOYSA-N 297.309 0.870 0 50 CCAA CC(C)[C@@H](O)C1(CN[C@H]2CCC(=O)N(C)C2)CC1 1875275712 YHKMCBQUBWAKMJ-WCQYABFASA-N 254.374 0.994 0 50 CCAA O=C(CN1CCOCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 20533569 RJZMWTNAHSVWFM-UHFFFAOYSA-N 276.296 0.127 0 50 CCAA NCC[C@H]1CN(CCn2cc(Cl)cn2)CCO1 252500823 TVXFCCJSRZAHFL-NSHDSACASA-N 258.753 0.586 0 50 CCAA CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)[C@H]1C[C@@H](C(=O)O)C1 659230252 DOSCACCLNGOUOG-RCZSTQMZSA-N 253.298 0.876 0 50 CCAA CCOC(=O)N1CCC(NC(=O)[C@@H]2C=CCN2)CC1 534638461 WIIWPZRJQOPGDG-NSHDSACASA-N 267.329 0.252 0 50 CCAA C[C@@H](CC(=O)N1CCC[C@](O)(C(N)=O)C1)C(C)(C)C 388966046 ULHAMOZKBQPKBN-IINYFYTJSA-N 270.373 0.898 0 50 CCAA COc1cccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)c1 4827786 CBQQOPOPWYUFDV-SNVBAGLBSA-N 287.279 0.809 0 50 CCAA CCS(=O)(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 10009062 DHTMHPBRRNBLMT-LLVKDONJSA-N 284.337 0.350 0 50 CCAA Cc1ccc(CC(=O)N[C@@H]2CCC(=O)NC2=O)c(C)c1 1857797864 BKFCGCJXDFBJFH-GFCCVEGCSA-N 274.320 0.767 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)C(=O)C1CCCCC1 2325811225 DYKROIUFFLGFSP-GXSJLCMTSA-N 266.341 0.919 0 50 CCAA COC(=O)c1cn(Cc2ccc3c(n2)NCC3)c(=O)cn1 2356144072 INWCLRNCRFAOJM-UHFFFAOYSA-N 286.291 0.441 0 50 CCAA Cc1c(CN2CCC[C@]23CCCNC3=O)cnn1C 2356144554 CTJWHESHJFVVAI-AWEZNQCLSA-N 262.357 0.973 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3886485 WYAZIQJWTHGDFT-MRVPVSSYSA-N 263.249 0.895 0 50 CCAA O=c1[nH]c(NCCO)nc2ncn(Cc3ccccc3)c12 8680732 VMYVSEIRFNZSPD-UHFFFAOYSA-N 285.307 0.572 0 50 CCAA biogenic O=C(O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 100001759 QVKBNBWTDBEIPL-YAZVNUIRSA-N 261.277 0.514 0 50 CCAA CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1 14007 METKIMKYRPQLGS-GFCCVEGCSA-N 266.341 0.452 0 50 CCAA biogenic,fda Clc1nc(N2CCOCC2)nc(N2CCOCC2)n1 75664 WYCCBNGHFYBVOM-UHFFFAOYSA-N 285.735 0.198 0 50 CCAA biogenic O=C(O)c1ccc(N2CCS(=O)(=O)CC2)cc1 168776 CEQTXJDEBJMUCN-UHFFFAOYSA-N 255.295 0.620 0 50 CCAA COCC1(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 331559094 WWAOKNRRZUMHTA-SNVBAGLBSA-N 268.357 0.929 0 50 CCAA CCn1ccc(C(=O)N2CC[C@@](O)(CN(C)C)C2)cc1=O 72153338 XZXWLGZSELJUKS-OAHLLOKOSA-N 293.367 0.007 0 50 CCAA O=C(CCn1cccn1)Nc1ccn([C@@H]2CCNC2)n1 328640936 XQQPCFUEDCRGJA-LLVKDONJSA-N 274.328 0.643 0 50 CCAA O=S1(=O)CCC(CN2CCC[C@H]2Cn2ccnn2)CC1 328974570 VYLWHOQKWOGMBY-ZDUSSCGKSA-N 298.412 0.567 0 50 CCAA CCCc1nc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cs1 72171613 CIIFLDSRHMLSRG-MWLCHTKSSA-N 284.381 0.911 0 50 CCAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@]12CCOC2 332897388 MQWGGHUDWMMTBH-SLEUVZQESA-N 278.352 0.683 0 50 CCAA CCc1nc(N)sc1C(=O)NC[C@H]1COCCN(C)C1 215840306 MEUDFZSFLWTGGW-SECBINFHSA-N 298.412 0.596 0 50 CCAA CC(C)c1cc(NC[C@H](O)CO)n2nccc2n1 72468289 SAYMLZZSDYKIMW-VIFPVBQESA-N 250.302 0.618 0 50 CCAA Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3CCNC3)C2)no1 237774358 CCZQRFZKDRSXOG-NEPJUHHUSA-N 278.356 0.769 0 50 CCAA C[C@H](NC(=O)CN1CCCc2occc2C1)C(=O)N(C)C 377487922 GGVVGRIUDGWPDE-NSHDSACASA-N 293.367 0.621 0 50 CCAA Cn1c(C(=O)N[C@H]2CCNCC2(C)C)cccc1=O 335495996 PHSPKOIUACHGOA-NSHDSACASA-N 263.341 0.503 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1 40845027 DFZMPKMSTNKZKL-DTWKUNHWSA-N 259.302 0.777 0 50 CCAA CN(C)CCN(C)c1cc(C2CC(N)C2)nc(N)n1 223349564 AORQERGBCMGMOF-UHFFFAOYSA-N 264.377 0.261 0 50 CCAA CC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnc[nH]1 221180460 DWKLNAZJPSFAMZ-NSHDSACASA-N 264.329 0.931 0 50 CCAA CC(C)n1cnnc1CNC(=O)[C@H](C)N1CCN(C)CC1 426423707 QCPVYHLKJPYZPJ-LBPRGKRZSA-N 294.403 0.111 0 50 CCAA Cc1nnc(N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)s1 92107418 UQVPMGZEPVXUFN-QMMMGPOBSA-N 296.352 0.406 0 50 CCAA Cc1c(CN2C[C@H](CO)[C@H](CN(C)C)C2)cnn1C 92028531 RHUOJFDPGHSAML-ZIAGYGMSSA-N 266.389 0.330 0 50 CCAA CCCc1nc(C(=O)NCCS(=O)(=O)NC)cs1 91665338 YAHODPCYGJEZGC-UHFFFAOYSA-N 291.398 0.375 0 50 CCAA C[C@@H](NC(=O)c1ccc(-n2cnnn2)cn1)c1cn[nH]c1 622467535 XNFOTRBHALEHOL-MRVPVSSYSA-N 284.283 0.271 0 50 CCAA C[C@@H]1CN(C)CCN1C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 344337131 DMQNCFCYPADQGJ-JTNHKYCSSA-N 297.424 0.603 0 50 CCAA Cc1nc(CNC(=O)CN2CC[C@@H](N(C)C)C2)cs1 252508676 XQRWZGLUFVWDCE-GFCCVEGCSA-N 282.413 0.704 0 50 CCAA CCO[C@@H](C)C(=O)N(C)Cc1nc(CCOC)no1 268342838 PNFXTJVHFBGIJT-VIFPVBQESA-N 271.317 0.642 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)C1CCOCC1 534651660 DIYHRQCOEMFNPP-GHMZBOCLSA-N 252.314 0.349 0 50 CCAA CC(C)(C)NC(=O)CCN1CCN(c2nc[nH]n2)CC1 299794317 JRKKTFCLSKQYHI-UHFFFAOYSA-N 280.376 0.232 0 50 CCAA Cc1nnnn1CCC(=O)NCCCn1cc(Cl)cn1 299769439 NFUKWJOSDRYCTN-UHFFFAOYSA-N 297.750 0.428 0 50 CCAA Cc1cccc(-n2ncnc2CNC(=O)N(C)C)n1 827869071 FVVJERQKNYJXHF-UHFFFAOYSA-N 260.301 0.742 0 50 CCAA CN1CCCCC[C@@H]1C(=O)NCCCN1CCCC1=O 823778697 ZOUOIYDFWYGCJQ-CYBMUJFWSA-N 281.400 0.990 0 50 CCAA O=C(CCN1CCCCC1=O)N[C@@H]1CCc2c[nH]nc2C1 670458841 MSNDFGFTTRBCSK-GFCCVEGCSA-N 290.367 0.786 0 50 CCAA O=C(CN1CCCCCC1)NC[C@@H](O)CN1CCCC1 952977056 ZNCIBQIDJNOLHL-CQSZACIVSA-N 283.416 0.435 0 50 CCAA COC(=O)c1cc(NC(=O)N2CCSCC2)nn1C 889064318 YIVMTMHKTCBUFQ-UHFFFAOYSA-N 284.341 0.787 0 50 CCAA Cn1c(CCC(N)=O)nnc1SCC[C@H]1CCOC1=O 1458863414 UHYZJPFKAHFWFI-MRVPVSSYSA-N 298.368 0.278 0 50 CCAA CCc1nnsc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@H]1COC 1565526241 DXSJAKPKIFVQOI-YKDSUIRESA-N 297.380 0.880 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)C[C@H](C(=O)O)O1 630198988 DXJXLWYXWRBWCZ-ISUQUUIWSA-N 271.313 0.500 0 50 CCAA Cc1nc(CC(=O)N2CC(C)(C)[C@H]2c2nccn2C)n[nH]1 663168603 SKMZAALMAPTPBN-GFCCVEGCSA-N 288.355 0.999 0 50 CCAA C[C@@H](C(=O)NCc1cccc(N)c1)S(C)(=O)=O 167843152 NAAXUPAKYZFSOH-QMMMGPOBSA-N 256.327 0.318 0 50 CCAA O=S1(=O)CCN(C2CCN(Cc3ccco3)CC2)CC1 170606919 MGCPXZQSSPEGGF-UHFFFAOYSA-N 298.408 0.974 0 50 CCAA CCO[C@@H]1C[C@H](N(C)C(=O)Cn2nc(C)oc2=O)C1(C)C 639924574 JMVDPORRFFJRHF-WDEREUQCSA-N 297.355 0.807 0 50 CCAA CCN(C(=O)c1cnc2[nH]cnc2c1)[C@H]1CCNC1=O 669628042 CWCWPXJDNKTXHW-JTQLQIEISA-N 273.296 0.309 0 50 CCAA C[C@H]1CN(Cc2nc(N(C)C)no2)C[C@@H]1N1CCOCC1 192739404 QSVQIRHBMCLCKQ-RYUDHWBXSA-N 295.387 0.288 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1CCCC(F)(F)C1 585003003 JPROGSPYHRJDLJ-UHFFFAOYSA-N 281.067 0.776 0 50 CCAA CCCC(=O)CNC(=O)c1ccc(S(=O)(=O)NC)nc1 585087544 HMVSAVLUYGBWHT-UHFFFAOYSA-N 299.352 0.089 0 50 CCAA Cc1nc(Cn2cc(Cn3cncn3)nn2)cs1 656445808 WIMMAVKFMHWGQI-UHFFFAOYSA-N 261.314 0.731 0 50 CCAA O=C(Nc1ccc(Cl)cc1)N[C@H]1CNC[C@@H]1O 699942499 JONLJHRAYXKTSN-UWVGGRQHSA-N 255.705 0.794 0 50 CCAA C[C@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)n1cnnn1 1614476516 TYAFJZPCERRKOP-DGCLKSJQSA-N 287.323 0.834 0 50 CCAA O=C(N[C@]12CCC[C@H]1NCC2)c1ccc2c(n1)CNCC2 1646780589 COUJFQQXOOSAQZ-ZBFHGGJFSA-N 286.379 0.742 0 50 CCAA CC[C@H](O)CN1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 222103729 PAPKRQQBMRRNGU-STQMWFEESA-N 292.445 0.797 0 50 CCAA Cn1cncc1C(=O)N1CCCN(C2CCOCC2)CC1 1800409519 HEBLSOGMSRKEQF-UHFFFAOYSA-N 292.383 0.747 0 50 CCAA CC(C)c1nccc(C(=O)N[C@H]2CCNC[C@@H]2O)n1 213201688 ZMDUYLDKICLRCT-ONGXEEELSA-N 264.329 0.053 0 50 CCAA CCOc1ccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)o1 216856935 WCCWMAMPFFKIFF-UWVGGRQHSA-N 269.297 0.494 0 50 CCAA Cc1ncc(C(=O)N2CCOC[C@@H]2C(=O)O)s1 224778808 YETGXLDCUJASCF-SSDOTTSWSA-N 256.283 0.377 0 50 CCAA OC[C@H](O)C1CCN(Cc2ccn3nccc3c2)CC1 1772712958 WQRNEUDHIWMWNZ-HNNXBMFYSA-N 275.352 0.900 0 50 CCAA CC(C)c1ccc(N2CC[C@]3(CNC(=O)CO3)C2)nn1 1772812673 NXRVPEGQBPQGHW-AWEZNQCLSA-N 276.340 0.695 0 50 CCAA C=CC(=O)OCCOCCOCCOC(=O)C=C 5192849 INQDDHNZXOAFFD-UHFFFAOYSA-N 258.270 0.478 0 50 CCAA Cc1cc(CC(=O)N2CCOC[C@H](C(=O)O)C2)cc(C)n1 1857681799 BCCCLQBZRJZPDJ-CYBMUJFWSA-N 292.335 0.801 0 50 CCAA NC(=O)CCn1ccc(NC(=O)[C@H]2CCCOC2)n1 117705662 MZWMROVFKUVNJL-VIFPVBQESA-N 266.301 0.124 0 50 CCAA CO[C@@H]1COC[C@H]1NCc1cc(C(F)(F)F)n(C)n1 930818416 WQIPLTSAMJQVIL-RKDXNWHRSA-N 279.262 0.942 0 50 CCAA CC[C@H](N[C@H]1CCC[C@@H]1OC)C(=O)N1CCOCC1 864235487 ZSJPZECRLSYPMX-AVGNSLFASA-N 270.373 0.781 0 50 CCAA Cc1ncc(CNC(=O)C2CCS(=O)(=O)CC2)s1 1875257968 OFOHJQVQHPJQKN-UHFFFAOYSA-N 288.394 0.893 0 50 CCAA O=C(Cn1nnc([C@@]2(C(F)(F)F)CCCN2)n1)C1CC1 1875282087 MDJCTTMNTOHWEW-SNVBAGLBSA-N 289.261 0.793 0 50 CCAA Cc1noc(Cn2cc(C(=O)N(C)C3CC3)cn2)n1 1875268136 NAMSVJUCSDPDIL-UHFFFAOYSA-N 261.285 0.857 0 50 CCAA CO[C@@H]1C[C@H](CNC(C)=O)N(c2cc(C)ncn2)C1 1875321871 ZCHZKPINOAPEFQ-VXGBXAGGSA-N 264.329 0.515 0 50 CCAA O=C(NOC1CCC1)[C@@H]1CO[C@H](Cn2cccn2)C1 1875301090 DJBBWIOFBXYBDK-JQWIXIFHSA-N 265.313 0.889 0 50 CCAA C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1C[C@@H](N)[C@H](N)C1 1875323301 DMVBNJZDKVGVGK-FXBDTBDDSA-N 283.763 0.032 0 50 CCAA O=C(N[C@H](Cc1ccccc1O)C(=O)O)[C@@H]1CCOC1 1775991894 OCOWAYFLDVTCNX-GHMZBOCLSA-N 279.292 0.541 0 50 CCAA CCOC(=O)c1cnc(NCCn2ccnn2)nc1C 136314267 ZMZLWAMPNCCTEG-UHFFFAOYSA-N 276.300 0.665 0 50 CCAA Cc1cc(C(=O)NCC2CNC2)c2c(C)noc2n1 262014891 KXBJHEJKZVSSNY-UHFFFAOYSA-N 260.297 0.789 0 50 CCAA Cc1nonc1CN1CCC2(CC1)CNCCO2 534676253 KUGQJELVCAIEFB-UHFFFAOYSA-N 252.318 0.332 0 50 CCAA Cc1nnc(CN2CCN3C(=O)OC[C@@H]3C2)s1 374975327 CHEPNHBUWOQJPJ-QMMMGPOBSA-N 254.315 0.483 0 50 CCAA c1cn2nc(C3CC3)cc2c(=N[C@H]2[C@@H]3CNC[C@@H]32)[nH]1 2325791152 ZIAQHUQKCIQGQZ-IWIIMEHWSA-N 255.325 0.658 0 50 CCAA C[C@H](O)CONC(=O)C1(CN)C[C@@H]2CCC[C@H]2C1 2325801847 YIBJMKDSWGYRAQ-DCAQKATOSA-N 256.346 0.570 0 50 CCAA O=C1CC(CSc2nnnn2-c2ccccc2)=NN1 100121042 WHGHQICOEWLCDV-UHFFFAOYSA-N 274.309 0.630 0 50 CCAA O=C(Cc1ccc(O)cc1)N1CC[C@@H](N2CCOCC2)C1 133984453 QUYXTWBWWHVSOK-CQSZACIVSA-N 290.363 0.868 0 50 CCAA COc1ccc2cnn(CC(=O)O)c(=O)c2c1OC 20272745 PXVBMXPFVIUDQY-UHFFFAOYSA-N 264.237 0.498 0 50 CCAA biogenic COC(=O)[C@]12CNC[C@@H]1CN(C(=O)OC(C)(C)C)C2 309835330 IJSXTUMCGDQTGI-RNCFNFMXSA-N 270.329 0.616 0 50 CCAA Cc1occc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O 21962202 QRTHGIYAZPPHMD-JTQLQIEISA-N 263.253 0.737 0 50 CCAA CN(CC(=O)O)[C@@H]1CN(Cc2ccncc2Cl)C[C@H]1O 328603575 GRDGJMYCCXFOOZ-VXGBXAGGSA-N 299.758 0.297 0 50 CCAA O=S(=O)(c1cccc2cnccc12)N1CCNCC1 35024805 UPTYCYWTFGTCCG-UHFFFAOYSA-N 277.349 0.829 0 50 CCAA in-vitro CN(C)c1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c1 252491436 LMMIYHQEFUTPSU-GFCCVEGCSA-N 298.364 0.990 0 50 CCAA C[C@@H](c1ccon1)N(C)C(=O)CN1C(=O)NC(C)(C)C1=O 217554721 UZSIVXSLLQUXPC-QMMMGPOBSA-N 294.311 0.524 0 50 CCAA CN(C)S(=O)(=O)N1CCN(c2ccccc2)C(=O)C1 74756976 MDAMPWGSFFUXLT-UHFFFAOYSA-N 283.353 0.142 0 50 CCAA O=C(CN1CCC[C@H](O)C1)NCCCc1ccccn1 216459174 GBMFFJPWDVQTFZ-AWEZNQCLSA-N 277.368 0.587 0 50 CCAA CN1CCC(O)(CNC(=O)NC[C@H]2CC2(C)C)CC1 331590277 XGWYLTUSCNWSPF-LLVKDONJSA-N 269.389 0.788 0 50 CCAA NC1C[C@@H]2CCC[C@H](C1)C2NC(=O)Cn1ccccc1=O 261814825 JUVREPPZUCZPGR-ZAQWFSBCSA-N 289.379 0.871 0 50 CCAA CN(C(=O)C1(C2CC2)CCOCC1)[C@@H]1COC[C@H]1O 376445266 AXADJNRHHRGLSS-VXGBXAGGSA-N 269.341 0.411 0 50 CCAA Cc1nccn1CCC(=O)N1CCCC[C@H](N)C1 82109182 RUFWPTXYZLIYBP-LBPRGKRZSA-N 250.346 0.921 0 50 CCAA CCC(CC)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 44306009 WLRAACVUNWNBND-JTQLQIEISA-N 276.402 0.963 0 50 CCAA COCc1nc(C)c(CNC(=O)[C@@H]2CC(=O)N(C)C2)s1 426677976 IXZNGXXJVMYERX-SECBINFHSA-N 297.380 0.692 0 50 CCAA Cc1ncccc1CNC(=O)NC[C@H]1COCCO1 527684098 NLHDJSOBDOWFNL-LBPRGKRZSA-N 265.313 0.605 0 50 CCAA CC[C@H](NC(=O)c1cnc(C)[nH]c1=O)c1cnn(C)c1 221416913 DZTGYZQVKAFQBX-NSHDSACASA-N 275.312 0.693 0 50 CCAA Cn1ncnc1CCNC(=O)COc1ccc(F)cc1 87450333 DTUCBXZQLVKBBQ-UHFFFAOYSA-N 278.287 0.692 0 50 CCAA COc1cc(C(=O)O)cc(C(=O)NCC2(CO)CC2)c1 426395398 PEFDVRSVBGUNRW-UHFFFAOYSA-N 279.292 0.896 0 50 CCAA CC(=O)NCCC(=O)N[C@H](C(=O)O)c1cccc(C)c1 426513796 YPYCVCKKMCLANN-ZDUSSCGKSA-N 278.308 0.763 0 50 CCAA CCc1nnc(CNC(=O)[C@@H](C)N2CCN(C)CC2)s1 426361955 ODDIMHMMEAVMGO-SNVBAGLBSA-N 297.428 0.353 0 50 CCAA CCn1nc(CCSC)nc1CCC(=O)NC 95513242 VUHAHQBFUKIWMM-UHFFFAOYSA-N 256.375 0.882 0 50 CCAA CCC[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1N 91808646 INMYKIHSGWOAHM-QWRGUYRKSA-N 253.346 0.195 0 50 CCAA CC(=O)N1CCN(Cc2ccc(N(C)C)nc2)C[C@@H](O)C1 97099087 NQIQIFVERWCYJF-CQSZACIVSA-N 292.383 0.173 0 50 CCAA CNc1cc(C(=O)N2CCN(C(=O)OC)CC2)ccn1 96138259 JRVJGYPJTGJUSG-UHFFFAOYSA-N 278.312 0.648 0 50 CCAA COc1c[nH]c(C(=O)NCC(F)(F)F)cc1=O 97594863 FMFBGLAOHSVGLQ-UHFFFAOYSA-N 250.176 0.676 0 50 CCAA COc1cc(C(=O)N[C@H]2CN(C)C[C@@H]2OC)ccn1 534639350 MJDJAACVFSTULP-QWRGUYRKSA-N 265.313 0.149 0 50 CCAA O=C([C@H]1C=CCN1)N1CCN(c2ccc(Cl)cn2)CC1 534671695 FOZGGQOZJPYMOL-GFCCVEGCSA-N 292.770 0.912 0 50 CCAA CN1CC[C@@H](CN2CCC(c3nnc(CO)n3C)CC2)C1 299797350 PZDHRYFLCUKIOL-GFCCVEGCSA-N 293.415 0.439 0 50 CCAA CN1CCC2(CC1)CCN(C(=O)CN1CCC[C@@H](O)C1)C2 823770293 SBMWGLRBMWZKCA-CQSZACIVSA-N 295.427 0.387 0 50 CCAA CC(C)(C)n1nc(CC(N)=O)nc1CN1CCCCC1=O 826842442 RXDQHFVKSXZJEE-UHFFFAOYSA-N 293.371 0.573 0 50 CCAA C[C@@H](CS(C)(=O)=O)N1CCC2(CCN(C)C2)CC1 823770107 MXZRHUGUQFZLFA-LBPRGKRZSA-N 274.430 0.837 0 50 CCAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNS(C)(=O)=O 584887780 AWMJAMQLTZVLLZ-URLYPYJESA-N 290.385 0.094 0 50 CCAA CCn1nc(C)c([C@@H](C)NC(=O)C2=NNC(=O)CC2)c1C 823593451 URTBSDQGCLYEEP-MRVPVSSYSA-N 291.355 0.963 0 50 CCAA CN(Cc1cc(C(N)=O)n(C)n1)C(=O)OC(C)(C)C 584641251 WNVBTEJFIHFYRT-UHFFFAOYSA-N 268.317 0.886 0 50 CCAA O[C@H]1CN(Cc2nc(C3CC3)no2)C[C@@H]1N1CCCCC1 670473725 ZSFOBOCXOODHIO-STQMWFEESA-N 292.383 0.978 0 50 CCAA N[C@@H]1CN(C(=O)NCCC2(O)CCC2)CC12CCC2 1553483263 OJYCUNROSSPBGI-LLVKDONJSA-N 267.373 0.814 0 50 CCAA CC(C)n1cccc1C(=O)NS(=O)(=O)C1COC1 408478421 QWCRNJLXGIWZTD-UHFFFAOYSA-N 272.326 0.527 0 50 CCAA CC1(C(=O)NS(=O)(=O)C[C@H]2CCCO2)CCC1 408430945 AIIGYYMPFOYIOO-SECBINFHSA-N 261.343 0.802 0 50 CCAA CCc1cccnc1C(=O)NCC1(CO)COC1 270921179 FGYKAQUJLFMKAJ-UHFFFAOYSA-N 250.298 0.383 0 50 CCAA COc1ccccc1CCN(C)C(=O)[C@H]1CNCCO1 187693259 ANHPHAYRNPSJMA-CQSZACIVSA-N 278.352 0.685 0 50 CCAA CN(CC1(CO)CC1)[C@@H]1CCCN(c2cnn(C)c2)C1=O 190019927 KWTUWEQMLYVAKC-CYBMUJFWSA-N 292.383 0.620 0 50 CCAA CC[C@H]1NC(=O)N(C[C@H](O)COCC(C)C)C1=O 584908429 CEUNZLHKKXJUGN-VHSXEESVSA-N 258.318 0.350 0 50 CCAA Cn1c(O)nnc1CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585125662 ARGUAWXCHWRYTP-GUBZILKMSA-N 264.329 0.963 0 50 CCAA Cc1nc(C)n(CCCNC(=O)c2nccn2C)n1 1506417435 IKCDNOFNJMPMNL-UHFFFAOYSA-N 262.317 0.449 0 50 CCAA CC[C@]1(O)CCN(c2cc(N)nc(SC)n2)C[C@@H]1O 211980257 PEPFIJRARLBSHY-UFBFGSQYSA-N 284.385 0.493 0 50 CCAA CCC1(C(=O)N2CCO[C@@H](C(=O)NC)C2)CCOCC1 373303617 NINVVCFYSFRHNY-LLVKDONJSA-N 284.356 0.167 0 50 CCAA CCc1nc(C)sc1CNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1 1857720591 APNDRDOTXNOEQX-QXEWZRGKSA-N 283.397 0.728 0 50 CCAA CC(C)[C@@H]1CN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)CCN1C 408355499 AHNHEXFBMUMJKT-UPJWGTAASA-N 281.400 0.700 0 50 CCAA CN1CC[C@@H](Nc2ncc(Br)cn2)C1=O 217498561 YXVOXKRFISBTTC-SSDOTTSWSA-N 271.118 0.882 0 50 CCAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NCCCC(=O)N(C)C)C1 263386709 YDWBQSRHGPZJFM-GHMZBOCLSA-N 299.371 0.607 0 50 CCAA COCCN1CC[C@H](CNC(=O)/C=C/CN(C)C)C1 1875376043 WMYHWXNXXFBHKS-MUBLQREKSA-N 269.389 0.189 0 50 CCAA Cn1cccc1CNC(=O)[C@@H]1CC[C@H](C(=O)O)N1C1CC1 888102043 VLOLTEBHMGVUGF-QWHCGFSZSA-N 291.351 0.721 0 50 CCAA Cn1c(CCN)nnc1SCCCn1cccn1 426381847 ZXTFCICOYHHYTI-UHFFFAOYSA-N 266.374 0.695 0 50 CCAA O=C(c1ccsc1)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 426599049 ZXUGBDMWSVMHTD-USZNOCQGSA-N 267.350 0.952 0 50 CCAA Cc1ncn(C)c1C(=O)N[C@@H](CC(=O)O)C(C)C 426648189 UAFCQVYEYVBTNJ-VIFPVBQESA-N 253.302 0.958 0 50 CCAA COC[C@]1(C(=O)O)CCCN1CCN1CCCC1=O 643879462 SQMOPSBQAUBODD-ZDUSSCGKSA-N 270.329 0.174 0 50 CCAA Nc1nc2c(c(N3CCS(=O)(=O)CC3)n1)CCCC2 91809020 YXPXXJHFVAOZJP-UHFFFAOYSA-N 282.369 0.172 0 50 CCAA C[C@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccccc1 685939529 ZFXDABMAYFZMKJ-CMPLNLGQSA-N 254.355 0.915 0 50 CCAA Cc1cc(NC(=O)CN2CCNC(=O)CC2(C)C)on1 931207661 NGCATBRYQJVJCF-UHFFFAOYSA-N 280.328 0.522 0 50 CCAA c1cncc(Cn2cc(CN3C[C@@H]4CCN[C@@H]4C3)nn2)c1 2325806847 KNXVQQHOZUJSFA-DZGCQCFKSA-N 284.367 0.515 0 50 CCAA CO[C@H]1C[C@@H](C(=O)O)N(C(=O)[C@@H]2CC23CCC(=O)CC3)C1 2325812741 DKPZGERZCUVRFV-SRVKXCTJSA-N 295.335 0.836 0 50 CCAA Cc1nccc(N2C[C@@]3(CNC(=O)C4CC4)C[C@H]2CO3)n1 2325815832 SPMVNPHEMXQPLQ-WFASDCNBSA-N 288.351 0.659 0 50 CCAA Cc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1 471027 ZWXYFJPKIVNWHC-UHFFFAOYSA-N 268.338 0.552 0 50 CCAA COc1nc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)nn1C 2356138461 MOASLVCIIXINMW-ZKCHVHJHSA-N 282.300 0.197 0 50 CCAA O=C(CCn1cnnc1)N[C@H]1CC[C@H]1NC1CCOCC1 72154545 JPRAINZMQCAVDV-OLZOCXBDSA-N 293.371 0.084 0 50 CCAA CN(Cc1cc2n(n1)CCCNC2)Cc1ccno1 72155903 IIEFNOGPACVYGE-UHFFFAOYSA-N 261.329 0.996 0 50 CCAA CC(C)Oc1cc(N2CC[C@H](CO)[C@@H](O)C2)nc(N)n1 72149490 PGBBGPJREDLIMQ-ZJUUUORDSA-N 282.344 0.026 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2ccc(C(F)(F)F)nn2)C1 284443532 FUXTYBFLVOLWQW-BQBZGAKWSA-N 290.245 0.574 0 50 CCAA CCNC(=O)C[C@H]1CCCCN1Cc1nccc(N)n1 284995688 YPHVOTUDHAIFAE-LLVKDONJSA-N 277.372 0.940 0 50 CCAA CCN1C[C@@H](C(=O)NCCc2ccco2)CC1=O 46150390 BICNLQCBNPWUTB-JTQLQIEISA-N 250.298 0.807 0 50 CCAA O=C1CC[C@@H](C(=O)NCc2ncc(Cl)cn2)CN1 426477729 LFOZVQQPBHYODW-SSDOTTSWSA-N 268.704 0.272 0 50 CCAA COC(=O)N[C@@H](C)C(=O)N1CCc2[nH]ncc2C1 221235961 AULKLXKONWDZSJ-ZETCQYMHSA-N 252.274 0.039 0 50 CCAA NCc1nnc(SC[C@H](O)CO)n1-c1ccc(F)cc1 426551031 FZDYJHSFSJSLJE-SNVBAGLBSA-N 298.343 0.310 0 50 CCAA NC(=O)[C@@H]1CCCN1C(=O)c1cnn2c1CCCC2 179080223 AOUUVOGHAAKSEC-NSHDSACASA-N 262.313 0.309 0 50 CCAA CCCN1CC[C@@H](CNc2cncc(C(N)=O)n2)C1 92621909 IZRWFMHNVCGEBG-JTQLQIEISA-N 263.345 0.719 0 50 CCAA CNC(=O)c1cccnc1C[C@H]1CC(=O)N(CCOC)C1 252490404 KSRMKLASGIDDMY-NSHDSACASA-N 291.351 0.479 0 50 CCAA C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC(=O)N1 295890606 CPRVUPIHNRVAAZ-VIFPVBQESA-N 296.348 0.131 0 50 CCAA C[C@@H](OC[C@@H]1CCCCO1)C(=O)NC(C)(C)C(=O)O 299750395 NIUCZOYVZPBPQF-ZJUUUORDSA-N 273.329 0.940 0 50 CCAA CCCn1nccc1S(=O)(=O)N1CCC[C@@H](N)C1 534666902 WSDSZURYXSQUIB-SNVBAGLBSA-N 272.374 0.405 0 50 CCAA CC(C)(C)c1nc(S(=O)(=O)Cc2cnn[nH]2)n[nH]1 585136893 XYNRYSHBVICSJI-UHFFFAOYSA-N 270.318 0.194 0 50 CCAA CSCC(=O)NCCCN1CCCC[C@@H]1CO 670443011 OELPWBDSOXCUJB-LLVKDONJSA-N 260.403 0.703 0 50 CCAA O=C1NC(=S)NC(=O)C1=c1[nH]c2cccc3cccc1c32 685942046 KMXJRRNPQIMXGE-UHFFFAOYSA-N 295.323 0.722 0 50 CCAA CO[C@H]1CCC[C@@H](CC(=O)N2CCS(=O)(=O)CC2)C1 408310416 RUYOPTCLJYGQRO-NEPJUHHUSA-N 289.397 0.839 0 50 CCAA O=C(NC1(CO)CCCC1)c1cc2n(n1)CCCO2 408389696 NHHZTACRXBUBSI-UHFFFAOYSA-N 265.313 0.701 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NS(=O)(=O)c1ccccc1F 1565514290 UQIZIKJKOXMQLQ-ONGXEEELSA-N 298.339 0.924 0 50 CCAA CCOC(=O)[C@H](CC(=O)N(C)CCN(C)C1CC1)C(C)=O 408518013 RQZFLKGSZHDXAV-CYBMUJFWSA-N 298.383 0.697 0 50 CCAA COc1nc(N)nc(C)c1I 165413272 GUMGNYZVTWKUGQ-UHFFFAOYSA-N 265.054 0.980 0 50 CCAA C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NN1CC(=O)NC1=O 170629321 UBWPVGVKAWBTLC-UTLUCORTSA-N 283.328 0.553 0 50 CCAA Cn1ncc2cc(S(=O)(=O)NC[C@@H]3CCCO3)cnc21 170600477 WIZYZTZVOMTAAJ-JTQLQIEISA-N 296.352 0.426 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cnn(C)c2)C1 643756103 LMQWLIMRUOZUFC-AWEZNQCLSA-N 280.372 0.225 0 50 CCAA Cn1ccc(CC(=O)NCCN2CCCC2(C)C)n1 571379892 CXUAQOSWEQQJMC-UHFFFAOYSA-N 264.373 0.953 0 50 CCAA O=C(c1ccc2nccn2c1)N1CCN(CCO)CC1 91625557 QAEPYGFBFKQPFT-UHFFFAOYSA-N 274.324 0.084 0 50 CCAA COc1cc(N2CCC3(CCN(C)CC3)C2)nc(N)n1 1506420056 RYIPZIJYKHYUFN-UHFFFAOYSA-N 277.372 0.990 0 50 CCAA Cn1ccnc1C1(O)CN(C(=O)OCC(F)(F)F)C1 1615615506 YACWYMPQUUMUKH-UHFFFAOYSA-N 279.218 0.622 0 50 CCAA CNC(=O)CN1CCC(N[C@H]2COC[C@H]2CC(C)C)CC1 1616040267 BWRBHEBCTFUNEQ-HIFRSBDPSA-N 297.443 0.848 0 50 CCAA COCCN1CC[C@H](CNc2nc(C)cc(C(=O)O)n2)C1 1506398212 NCAKBGQRICLGNO-LLVKDONJSA-N 294.355 0.863 0 50 CCAA COc1ccc(C(=O)N2CCC(C)(O)CC2)nn1 1116264037 PCLAUKHNWXXNEF-UHFFFAOYSA-N 251.286 0.472 0 50 CCAA CCc1cc(N[C@H]2COC[C@@H]2O)nc(N2CCOCC2)n1 1704302085 BCCSHQILXKUXCD-RYUDHWBXSA-N 294.355 0.047 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(C)no3)C[C@@H]2O)on1 1704350720 CVPFQSGLFKJCSR-PWSUYJOCSA-N 291.307 0.955 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC 16650545 YQYDHCNSHGORSY-UHFFFAOYSA-N 298.364 0.839 0 50 CCAA Cc1ccccc1NS(=O)(=O)c1cnc(O)[nH]c1=O 4270313 SOBBCJKQMURDAT-UHFFFAOYSA-N 281.293 0.585 0 50 CCAA Cc1cc(C)nc(NCCN2CCCS2(=O)=O)n1 141179734 BXAXYCUWMMWXEH-UHFFFAOYSA-N 270.358 0.541 0 50 CCAA O=C(O)CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 238189920 FVXYMQRTNKVULJ-QMMMGPOBSA-N 266.228 0.452 0 50 CCAA O=C(CNC(=O)c1ccc2cnccc2n1)NCC1CC1 563266158 KBEVLEIKQYBWGC-UHFFFAOYSA-N 284.319 0.886 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cn(C(C)C)nn1 349011866 VWCZADPDMGBOOC-LBPRGKRZSA-N 293.371 0.846 0 50 CCAA CN(C)c1n[nH]c([C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3CC3)C2)n1 952848498 HJQCZWZVROJFPC-HBNTYKKESA-N 293.371 0.251 0 50 CCAA O=C(NCc1cc[nH]n1)C1CC2(C1)[C@@H](C(=O)O)C2(F)F 1875396866 UUXBBTYCTFVXMS-NUQKGASQSA-N 285.250 0.772 0 50 CCAA Cc1cc(=NC(=O)Cn2c(C(C)(C)C)noc2=O)[nH]o1 1875391371 VBKSCUJOUDMOHX-UHFFFAOYSA-N 280.284 0.491 0 50 CCAA CN1C[C@](C)(CNC(=O)N=c2nc(C3CC3)[nH]s2)C1=O 1875369844 LYDZWPHDWXZBKK-LBPRGKRZSA-N 295.368 0.437 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)Nc2nnc(C)n2C)C1=O 888075998 MRTHRVXPRKBMDV-SNVBAGLBSA-N 295.343 0.090 0 50 CCAA CS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)O)CC2)cc1 166924940 ITIMEUKXRXSTBS-UHFFFAOYSA-N 297.332 0.685 0 50 CCAA CC(=O)N[C@@H](CC(C)C)C(=O)NCCc1ncc[nH]1 341307465 LBQUHEAGCSOPKW-NSHDSACASA-N 266.345 0.619 0 50 CCAA O=S1(=O)CC[C@@H](CN2CCc3ccc(CO)cc32)C1 366108944 OBCIIMPIDRPZCV-LBPRGKRZSA-N 281.377 0.976 0 50 CCAA CCN(CCCO)[C@@H]1CCN(c2ccn(C)n2)C1=O 368432766 FNTLKKYSBSOIEG-LLVKDONJSA-N 266.345 0.230 0 50 CCAA Cn1cnc2nc(N3[C@H]4CC[C@@H]3C[C@H](O)C4)ncc21 2100539454 JBBVRUWXBUSCEZ-MYJAWHEDSA-N 259.313 0.855 0 50 CCAA Cn1cnc2c(N3CC(C)(C)C[C@H]3CC(N)=O)ncnc21 2325790928 XWTSSRJZVMSVKD-SECBINFHSA-N 288.355 0.844 0 50 CCAA Cn1nnc(C(=O)N2CC[C@@H]3CC[C@@]32CN)c1C(F)F 2325792252 PVKGYXKVSDOBBO-JVXZTZIISA-N 285.298 0.706 0 50 CCAA Cn1nnc(C(=O)N2CC[C@@H]3CC[C@]32CN)c1C(F)F 2325792254 PVKGYXKVSDOBBO-MADCSZMMSA-N 285.298 0.706 0 50 CCAA O=C(N[C@H]1CCN(C(=O)Cn2cccn2)C1)c1ccccc1 937625033 SNVMSARCFUNCMQ-AWEZNQCLSA-N 298.346 0.914 0 50 CCAA COC[C@@](C)(CC(=O)O)NC(=O)c1cc(C)on1 237196984 QGMPWQPLMISBRK-LLVKDONJSA-N 256.258 0.593 0 50 CCAA Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC2)cc1 469875 SLPAPTDEGCAXNE-UHFFFAOYSA-N 282.365 0.896 0 50 CCAA CCOC(=O)NC(C)(C)CN(CCO)C(=O)OCC 1689832 QCRZUHZUNKRQHC-UHFFFAOYSA-N 276.333 0.962 0 50 CCAA O=C(c1ccnc(O)c1)N1CCC[C@]12CCCNC2=O 2356151975 JVPHDSQGNYVLMO-AWEZNQCLSA-N 275.308 0.672 0 50 CCAA CCC[C@H]1COC[C@H]2CN(C(=O)Cc3cnc[nH]3)CCN12 2356158182 YXCGUBLFTYEXJK-UONOGXRCSA-N 292.383 0.664 0 50 CCAA CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 4206856 BYYKHXCNLUDEOJ-SNVBAGLBSA-N 257.359 0.579 0 50 CCAA O=S(=O)(NCC[C@H]1CCCCO1)c1c[nH]cn1 227320232 QWTQWQYJPOBFIQ-SECBINFHSA-N 259.331 0.647 0 50 CCAA COc1cc(NCCCc2nnc(N)s2)ncn1 65504787 ALDLSXSYQYLOFQ-UHFFFAOYSA-N 266.330 0.964 0 50 CCAA O=S(=O)(NCc1nccn1C(F)F)C1COC1 329978736 ICTHORBLOGLEDC-UHFFFAOYSA-N 267.257 0.096 0 50 CCAA CCn1nc(C)c(C(=O)N2CCN(C)[C@H](C(=O)O)C2)c1C 67654132 OAQGJILKHPRBSC-NSHDSACASA-N 294.355 0.361 0 50 CCAA C[C@@H](Nc1ncnc2c1CCNCC2)c1nnc(N)s1 72475306 FKVUPXVVDGDXBL-SSDOTTSWSA-N 291.384 0.772 0 50 CCAA COc1cc(F)c(C(=O)N[C@@H](C)c2nc(=O)[nH][nH]2)c(F)c1 216331850 DUSBRZNJQRCNJL-YFKPBYRVSA-N 298.249 0.876 0 50 CCAA C[C@@H](O)C(C)(C)NC(=O)[C@H]1CCCCS1(=O)=O 145271387 OKMCJNIGODOHNW-RKDXNWHRSA-N 263.359 0.229 0 50 CCAA CC(C)C1=NO[C@@H](C(=O)NCCCc2nnc(N)s2)C1 219466495 CXTSDVHIZWJGQP-SECBINFHSA-N 297.384 0.970 0 50 CCAA CN1CC[C@H](N2CCCC[C@H](S(C)(=O)=O)C2)C1=O 328616542 SPTYCAJXFHSNHA-QWRGUYRKSA-N 274.386 0.116 0 50 CCAA COC[C@@H](C)C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328626577 LWXMSSBHDPUVEM-GHMZBOCLSA-N 266.345 0.507 0 50 CCAA Cc1cc(N(C)C[C@H](O)CO)n2nc(C)c(C)c2n1 72457212 OMXNULCXVSIHTO-NSHDSACASA-N 264.329 0.444 0 50 CCAA Cn1cc(CCNc2cc(C3CC(N)C3)nc(N)n2)cn1 219823606 LMQHPUQCNBVRKD-UHFFFAOYSA-N 287.371 0.652 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N1CCN(C[C@H]2CCOC2)CC1 237008157 HZFJGBHJCUUTOI-MJBXVCDLSA-N 283.416 0.541 0 50 CCAA CN1CCO[C@@H]2CCN(C(=O)c3ncc(F)cc3F)C[C@@H]21 284353353 DIDNCHYOIKESTJ-NWDGAFQWSA-N 297.305 0.905 0 50 CCAA CN1CCCN(CC(=O)NCCn2cc(Cl)cn2)CC1 223266699 HRJPDPNVRNTNKC-UHFFFAOYSA-N 299.806 0.290 0 50 CCAA Cn1ncnc1CCNC(=O)[C@@H](O)c1ccccc1Cl 221209200 XKSSACRRYWNJGM-LBPRGKRZSA-N 294.742 0.861 0 50 CCAA CC(C)(CO)CNC(=O)NC[C@H](O)c1cccc(O)c1 426535272 WQINACQWWZOFIG-LBPRGKRZSA-N 282.340 0.743 0 50 CCAA O=C(c1ccn2nnnc2c1)N1CC[C@H]1C(F)(F)F 615026299 BTSHYPZAJLMCTO-ZETCQYMHSA-N 271.202 0.901 0 50 CCAA Cc1nccn1CCN(C)Cc1cn[nH]c1C(=O)O 97797216 OJYPAHQGBSNDDN-UHFFFAOYSA-N 263.301 0.745 0 50 CCAA O=C(Nc1ccc(C(=O)O)cc1)ON1C(=O)CCC1=O 145435009 GJNMPIDEXWTEDJ-UHFFFAOYSA-N 278.220 0.997 0 50 CCAA CNCc1nnc(SCc2nc(C(=O)OC)co2)n1C 426500342 WTGDOBXZTABCOB-UHFFFAOYSA-N 297.340 0.601 0 50 CCAA Cc1cc(C)n(CCC(=O)N2CC[C@@](C)(O)[C@@H](O)C2)n1 96140266 QMHHZTJPZAFQBA-GXTWGEPZSA-N 281.356 0.234 0 50 CCAA C[C@H](c1ccon1)N(C)C(=O)CN1CCC(C(N)=O)CC1 91620485 CWPJBJCXAQZUNS-SNVBAGLBSA-N 294.355 0.391 0 50 CCAA CC(=O)N1CCC[C@@H](C(=O)NCCc2nnc(C)s2)C1 95355535 SITNIVOKPAWGCG-LLVKDONJSA-N 296.396 0.764 0 50 CCAA C[C@@H](Cc1ccccn1)N(C)CC(=O)N1CCOCC1 244873231 WMGYYUOXTHQJCK-ZDUSSCGKSA-N 277.368 0.803 0 50 CCAA O=C1CN(CCn2cc[nH]c2=O)CCN1C1CCCC1 244659666 HGUJQPLNRUIYLZ-UHFFFAOYSA-N 278.356 0.263 0 50 CCAA O=C(c1cncc(O)c1)N1CCC[C@H]1Cn1ccnn1 299746273 WGMGCQJFXHJQJL-NSHDSACASA-N 273.296 0.684 0 50 CCAA CCN(C)C1(CNC(=O)c2cc(N)n[nH]2)CCCC1 534577255 NGCYKGPPVGPHQD-UHFFFAOYSA-N 265.361 0.986 0 50 CCAA CCc1ncc(C(=O)NCc2nnc(CC)o2)cn1 534645447 YOZVNHMXJPWLNF-UHFFFAOYSA-N 261.285 0.914 0 50 CCAA O=C1OCC2(CCN(C(=O)C3CCNCC3)CC2)O1 534649353 JHHVIEBKPJDPNC-UHFFFAOYSA-N 268.313 0.514 0 50 CCAA O=C(N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cccn1C(F)F 1940194856 XVUYMIIGMMBLDT-JZKKDOLYSA-N 288.250 0.140 0 50 CCAA CC(C)[C@H](NC(=O)NCCSc1nc[nH]n1)C(=O)O 822096793 HOVBHKKMQDVNAD-ZETCQYMHSA-N 287.345 0.305 0 50 CCAA CN1CCN(C)[C@@H](Cn2cnc3cccnc3c2=O)C1 584893297 RXZSFXPHPWJIJW-LLVKDONJSA-N 273.340 0.037 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)Cc1ccc(CO)cc1 670444912 HWRLWTBMBBTBNI-ZIAGYGMSSA-N 288.347 0.658 0 50 CCAA Cc1ccnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 301279720 NNWLDOIFPPERMU-LBPRGKRZSA-N 289.383 0.574 0 50 CCAA CC[C@H](C(=O)N[C@H]1CCCOC1)N1CCCC1=O 170644225 IQVVAWBIKVKKEK-WDEREUQCSA-N 254.330 0.683 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)CCc2ccco2)C1 644034566 UKHUXDUDZUOQAY-HNNXBMFYSA-N 294.351 0.702 0 50 CCAA CCc1cc(C)c(C(=O)N[C@@H]2CNC[C@@H]2OC)o1 195554015 FXNWUBBVQMOYDC-MNOVXSKESA-N 252.314 0.867 0 50 CCAA C[C@H](N=c1[nH]c(C(=O)O)co1)c1nnc2n1CCCC2 570931165 DUOYHINVZACGSQ-ZETCQYMHSA-N 277.284 0.896 0 50 CCAA CC(C)(C)OC(=O)N1CC([C@@H]2CNC[C@H]2C(=O)O)C1 757186832 GERWOZRCHLZARX-VHSXEESVSA-N 270.329 0.774 0 50 CCAA CN1CC[C@H](NS(=O)(=O)C[C@H]2CC[C@H](F)C2)CC1=O 1615585400 DYBYMZNSVQARJC-DCAQKATOSA-N 292.376 0.665 0 50 CCAA Cc1cccnc1N1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1529196111 VCLQTIABXLXCLJ-NWDGAFQWSA-N 299.396 0.079 0 50 CCAA CC(C)CN1CCN(CCS(C)(=O)=O)C[C@@H]1CCO 1529099457 XUPYRORMTCVWMF-ZDUSSCGKSA-N 292.445 0.056 0 50 CCAA CN(C)[C@@H]1CCCN(CC(=O)NC2CCOCC2)C1 111248993 XGFLWUKNQWMAPZ-CYBMUJFWSA-N 269.389 0.308 0 50 CCAA Cc1nnc(CN(C)[C@]2(C)CCS(=O)(=O)C2)s1 1529151874 GKKRJRUFTKEOHZ-SNVBAGLBSA-N 275.399 0.856 0 50 CCAA CC(=O)NCC(=O)N1CCN(CC(F)(F)F)CC1(C)C 408101298 KGQRUALZYUAXJH-UHFFFAOYSA-N 295.305 0.608 0 50 CCAA Cc1nc(C)c(C)c(N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)n1 1704307424 YVOAQHVNHCQNIX-OKILXGFUSA-N 291.307 0.768 0 50 CCAA S=C(c1nnnn1-c1ccccc1)N1CCOCC1 1776111484 AVLJBFNPBPBPEF-UHFFFAOYSA-N 275.337 0.670 0 50 CCAA Cc1cc(S(=O)(=O)N2CCC[C@@H](C3(O)CC3)C2)n(C)n1 1772809027 JSUUXIJBXQLGRT-LLVKDONJSA-N 299.396 0.654 0 50 CCAA Cc1nc(NC(=O)CN(C)C)sc1C(=O)N(C)C 13323019 ROFTYSRJIUPVOI-UHFFFAOYSA-N 270.358 0.653 0 50 CCAA CCCN1CCC(NCCN2CCOCC2)CC1 19953947 ARAOJSMEJUKCAB-UHFFFAOYSA-N 255.406 0.783 0 50 CCAA Cc1cn2nnc(C(=O)NC3CCCCC3)c2c(=O)[nH]1 169780848 CUTSFOWDASUWBO-UHFFFAOYSA-N 275.312 0.789 0 50 CCAA CN1C(=O)NCC12CN(Cc1ccc(-c3cc[nH]n3)o1)C2 1857671113 NKGYMZXJHKUHGE-UHFFFAOYSA-N 287.323 0.879 0 50 CCAA O=C(c1n[nH]c(O)n1)N1CCc2[nH]nc(C3CC3)c2CC1 1857673267 MPTLUSDBBBEIPH-UHFFFAOYSA-N 288.311 0.352 0 50 CCAA O=C(Cc1cccnc1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857711086 GPIRTVUPTFLXGZ-RDBSUJKOSA-N 276.336 0.622 0 50 CCAA C[C@H]1CN2C[C@@H](NC(=O)c3n[nH]c4c3CCC4)C[C@H]2CO1 1857720184 IHZORTRXYVCSBO-DCAQKATOSA-N 290.367 0.490 0 50 CCAA O=C1C[C@@H](CC(=O)N2CCOC3(CCCCC3)C2)C(=O)N1 408523408 RLRAAMBEQYQDGC-NSHDSACASA-N 294.351 0.601 0 50 CCAA O=C(O)[C@H]1CSC2(CCC3(CC2)OCCO3)N1 3883849 JBVLAMYDJYTIBB-MRVPVSSYSA-N 259.327 0.789 0 50 CCAA in-vitro Cc1cccc(C(=O)NN2C[C@@H](C(=O)O)CC2=O)c1 4555496 GBXFOHHYIXXBOX-JTQLQIEISA-N 262.265 0.573 0 50 CCAA O=C(N1CC[C@@H](Oc2ccccn2)C1)[C@]1(O)CCOC1 334129945 SRULXPDCHLAWFX-RISCZKNCSA-N 278.308 0.213 0 50 CCAA CN(C)[C@@H]1CN(C(=O)Cc2ccoc2)C[C@@H]1n1ccnn1 862938699 DECDYSICXYNQJT-OLZOCXBDSA-N 289.339 0.427 0 50 CCAA C=CC(=O)N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 863971139 GUVXXUCXBBXGTP-SNVBAGLBSA-N 262.313 0.592 0 50 CCAA Cc1nnc(C2(C)CN(C(=O)N[C@@H]3CCCCNC3)C2)o1 952892188 CUDCXZPBWYELLI-LLVKDONJSA-N 293.371 0.803 0 50 CCAA O=C(CCn1nc(O)ccc1=O)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12 1875302436 QHKXJHHJLSUIIH-NAKRPEOUSA-N 275.308 0.206 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N2CCC(F)(F)C2)C1=O 888076607 YNKXBXLWMZCZKI-JTQLQIEISA-N 290.310 0.882 0 50 CCAA COCc1nocc1C(=O)N1C[C@@H](N)C2(CCC2)C1 1775962454 LIDRHYRITHJRHC-LLVKDONJSA-N 265.313 0.774 0 50 CCAA CCc1cc(C(=O)N2CCOC[C@H]2CC(=O)O)n(C)n1 129442732 YSVLCPHJCOJKFW-SNVBAGLBSA-N 281.312 0.298 0 50 CCAA NC[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CNC[C@H]3C3CC3)C[C@@H]12 2325788150 PCDWDOGNRGMKLR-YHQUGGNUSA-N 263.385 0.285 0 50 CCAA N[C@H](CNC(=O)c1n[nH]cc1-c1ccncc1)C1CC1 2325796549 XVDSXWADGBZGOZ-GFCCVEGCSA-N 271.324 0.939 0 50 CCAA CNC(=O)[C@H](O)CN=c1cc[nH]c2ccc(OC)cc12 893478412 GENBVCZXQMWWDU-CYBMUJFWSA-N 275.308 0.184 0 50 CCAA NCC(=O)N1CCC[C@]12CCCN(C1CC1)C2=O 2356146157 UZCDFVXAGCFTCY-ZDUSSCGKSA-N 251.330 0.091 0 50 CCAA c1ccc2c(c1)nc(N1CCNCC1)n1cnnc21 4512573 ZZCDDQNHRCWWKT-UHFFFAOYSA-N 254.297 0.687 0 50 CCAA CC(=O)n1nc(C)c(S(=O)(=O)N2CCOCC2)c1C 9569790 WKCBWAUMYQSCHT-UHFFFAOYSA-N 287.341 0.181 0 50 CCAA CO[C@H]1CNC[C@H]1NC(=O)c1cccc(Cl)n1 133716031 JTAHPWYQACXBKY-BDAKNGLRSA-N 255.705 0.452 0 50 CCAA CC(=O)N1CC(=O)N/C(=C\c2nc[nH]c2C(C)(C)C)C1=O 113067398 JMHLCUCEUQCHLL-YHYXMXQVSA-N 290.323 0.553 0 50 CCAA O=C(NCc1nc(CO)n[nH]1)[C@@H](O)c1ccc(Cl)cc1 1363285325 FHRYXBLFXUMGRS-NSHDSACASA-N 296.714 0.300 0 50 CCAA Cc1nc(C)c(I)c(NN)n1 153443 VKMKHUMQFXRXOA-UHFFFAOYSA-N 264.070 0.984 0 50 CCAA C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)OCO3)C(=O)O1 253430039 PKSXOFANHXJVQZ-APPZFPTMSA-N 299.304 0.398 0 50 CCAA Cc1ncc(C(=O)N2CCOC[C@@H]2C(=O)O)c(C)n1 257683239 JZIDTQZSFVWQKD-SNVBAGLBSA-N 265.269 0.019 0 50 CCAA C[C@H](O)C[C@H]1COCCN1C(=O)[C@@H](O)Cc1ccccc1 331059394 MMSDKBDBEMJKED-QEJZJMRPSA-N 293.363 0.588 0 50 CCAA CO[C@H](C)c1nsc(N2CCCNC(=O)[C@@H]2C)n1 374583458 ICXPZNHKFBVLTO-JGVFFNPUSA-N 270.358 0.960 0 50 CCAA Cc1c[nH]cc(C(=O)N2CCOCC3(CC3)C2)c1=O 332827871 MHLAJXUFZBJKJF-UHFFFAOYSA-N 262.309 0.936 0 50 CCAA CNCCN(C)C(=O)c1c[nH]n2c1nc(=O)c1ccccc12 262949469 BRAGZBRVXWNFDN-UHFFFAOYSA-N 299.334 0.467 0 50 CCAA CNC(=O)Cn1cc(NC(=O)C23CCCN2CCC3)cn1 240225428 DHSPYKBMSVXLGJ-UHFFFAOYSA-N 291.355 0.196 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)c1nc[nH]c2nccc1-2 613875563 JYKMKXGMFMDMBF-QMMMGPOBSA-N 273.296 0.260 0 50 CCAA CC[C@H](NC(=O)CNS(C)(=O)=O)c1cccs1 49034124 SLQJNYXUXJCNJY-QMMMGPOBSA-N 276.383 0.865 0 50 CCAA C[C@H]1OCC[C@@]1(O)CNC(=O)c1nc[nH]c2nccc1-2 614205940 ZWDOCVZQLZBQFP-AMIZOPFISA-N 276.296 0.179 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)N(C)CCc1ncon1 426510862 PTSQOUKTDJVBAD-VIFPVBQESA-N 263.301 0.837 0 50 CCAA C[C@H]1CCCN1C(=O)CN1CCN(C2CC2)C1=O 611651813 VLVGHFSEUCUZSG-JTQLQIEISA-N 251.330 0.897 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCC(=O)N(C)C1 82284689 STKQTVTZFKTDER-SNVBAGLBSA-N 264.329 0.388 0 50 CCAA Cn1cc(CCCNC(=O)Cn2nc3ccccc3n2)cn1 222697509 QSVKSRQNLCYKPV-UHFFFAOYSA-N 298.350 0.914 0 50 CCAA CCc1c(C(=O)N[C@H]2CCCCNC2=O)ccn1C 289614110 RBDCUKHPRFYGIQ-NSHDSACASA-N 263.341 0.986 0 50 CCAA Cc1ccc(=O)n(Cc2nc([C@H]3CCOC3)no2)n1 96160664 MOKHRNHOAVXMTC-VIFPVBQESA-N 262.269 0.487 0 50 CCAA O[C@H]1C[C@@H]2[C@H]3[C@H]4[C@@H]5[C@@H](C[C@H](O)[C@H]5[C@H]13)[C@@H]1[C@H](O)C[C@H]2[C@H]41 248070106 XQXSPPJNMCEGCY-SLQKEYBUSA-N 262.349 0.483 0 50 CCAA CCC[C@]1(c2ccccc2)NC(=O)N(C[C@@H](O)CO)C1=O 1325201538 TYRKTHUFDIWFDG-IUODEOHRSA-N 292.335 0.587 0 50 CCAA O=C(O)[C@@H]1CCCN(C(=O)CCOC[C@@H]2CCCO2)C1 299745528 ZZADRDSFYUNBEA-NEPJUHHUSA-N 285.340 0.895 0 50 CCAA COCC1(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CCCC1 534675301 MQTGUGCCFPCQPB-JTQLQIEISA-N 297.355 0.298 0 50 CCAA CCOC(=O)N1CC[C@H](NCCn2cncn2)C1 534671642 MVVQGKNRCSCXTB-JTQLQIEISA-N 253.306 0.099 0 50 CCAA CN(C)C[C@@]1(CO)CCCN(C(=O)c2cn(C)cn2)C1 299793120 KBVRLGIDTXMOAZ-AWEZNQCLSA-N 280.372 0.196 0 50 CCAA COCCCN1CC[C@@H](CNC(=O)c2cncn2C)C1 299770836 RJQXZDVXOCDECJ-LBPRGKRZSA-N 280.372 0.508 0 50 CCAA O=C(Cc1cccnc1)N1CCc2[nH]nc(CO)c2C1 299800811 WERWGKPMRGALOO-UHFFFAOYSA-N 272.308 0.424 0 50 CCAA COC[C@H](C)NCC1(CN2CCN(C)CC2)CC1 824344093 GVBGAKRMSGPNAT-ZDUSSCGKSA-N 255.406 0.639 0 50 CCAA CC[C@H](NC(=O)C(=O)N1CCCC1)c1ncc(C)[nH]1 822650336 HMOQVCJXSFQNEF-JTQLQIEISA-N 264.329 0.908 0 50 CCAA Cc1nc(CCN(C)C(=O)CCc2cnn(C)c2)no1 584894056 DOEXRGHHMIANMU-UHFFFAOYSA-N 277.328 0.745 0 50 CCAA C[C@@H](NC(=O)c1csc(=N)[nH]1)c1n[nH]c(=N)s1 584900694 IAPIDDNYGMQHQU-GSVOUGTGSA-N 270.343 0.311 0 50 CCAA CCn1cnnc1[C@H](C)NC(=O)c1csc(N)n1 584886983 KCPDQCTVVQNUIT-LURJTMIESA-N 266.330 0.828 0 50 CCAA Cc1ccc2c(=O)n([C@@H]3CNC[C@H]3O)cnc2c1C 670474339 AJVWNWFPXZTJDH-VXGBXAGGSA-N 259.309 0.519 0 50 CCAA Cc1cc(F)ccc1C(=O)NC[C@H]1CCNC[C@@H]1O 1565531026 SCQBOOFCALZJRN-MFKMUULPSA-N 266.316 0.834 0 50 CCAA CC(C)c1nccc(N2CCC[C@]3(C2)NC(=O)NC3=O)n1 302866249 VCYZLUJPCHDTOT-CQSZACIVSA-N 289.339 0.778 0 50 CCAA CCN(CC)CCCN1CCO[C@@H](C(=O)OC)C1 170607415 IROUMSGKXFWEQW-GFCCVEGCSA-N 258.362 0.592 0 50 CCAA COc1cc(OC)nc(N2CCN(C(=O)N(C)C)CC2)n1 579076458 HHMXXJORFFQONA-UHFFFAOYSA-N 295.343 0.297 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)C2CC=CC2)C1 644038161 CZQNAXMHJOIJLB-AWEZNQCLSA-N 266.341 0.442 0 50 CCAA COCCc1nsc(N(C)[C@@H]2CCC(=O)N(C)C2)n1 895952055 DVQHNQALCKYYMC-SECBINFHSA-N 284.385 0.784 0 50 CCAA C[C@@H]1CCCN(C(=O)COC[C@@H]2CCCO2)[C@H]1CN 585086659 UKYBIGGMPDPIMF-AGIUHOORSA-N 270.373 0.768 0 50 CCAA Cc1cccc(S(=O)(=O)NC(=O)[C@]23CC[C@H]2CNC3)c1 1615056821 AUSNRKHBLJJNJG-FZMZJTMJSA-N 294.376 0.800 0 50 CCAA O=C1CCC[C@H](CNC(=O)c2nnc3ccccc3n2)N1 1615580380 CTJITRDAJCJWHK-SECBINFHSA-N 285.307 0.423 0 50 CCAA C=CS(=O)(=O)CCN1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1615554657 YIPWDFMPOOJSDC-XQQFMLRXSA-N 289.397 0.813 0 50 CCAA O=C(C1CCC1)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1616084535 ZPHNTLSFSUTTBO-AAEUAGOBSA-N 261.325 0.639 0 50 CCAA CNC(=O)C[C@H]1CCN(c2ncc(F)c(N(C)C)n2)C1 1506408317 RFZJYOIJFDRMRA-SECBINFHSA-N 281.335 0.644 0 50 CCAA NC(=O)N1CCC[C@@H](C(=O)N2CCC3(CCCO3)CC2)C1 1506400816 YFHCDMMANNQPLM-GFCCVEGCSA-N 295.383 0.949 0 50 CCAA CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1cccnc1 119513755 AYUBMEMYJNRKEW-UHFFFAOYSA-N 283.353 0.500 0 50 CCAA CC[C@H](C(=O)N(C)Cc1ncc[nH]1)N1CCCC1=O 330955115 MKSXPYJCFQGDAS-SNVBAGLBSA-N 264.329 0.769 0 50 CCAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cn[nH]c3)CC2)C1 1704300602 ZJAYVFMHKUBXFD-CYBMUJFWSA-N 279.340 0.946 0 50 CCAA O=C(CN1CCC2(CC1)OCCO2)NCc1ccco1 6729922 UZIIOBGYQPZDME-UHFFFAOYSA-N 280.324 0.735 0 50 CCAA CN1C[C@@H](CN2CCN(CCCCO)CC2)CCC1=O 1775977186 IETATFHXHKVBTK-AWEZNQCLSA-N 283.416 0.245 0 50 CCAA CN(CC1CCN(CCO)CC1)C[C@@H]1CCC(=O)N(C)C1 1775980672 GUOQPCNIJQWTPU-HNNXBMFYSA-N 297.443 0.491 0 50 CCAA Cc1nnc2n1C[C@H](CN=c1nn[nH]n1-c1ccccc1)C2 1772703641 PBMXNFZMOHEICU-NSHDSACASA-N 296.338 0.269 0 50 CCAA CN(C)c1nc(N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)ncc1F 1857733410 JNILJLDJJOFIFE-ADEWGFFLSA-N 296.346 0.658 0 50 CCAA C[C@H]1CN(C(=O)Cc2csc(-c3nnc[nH]3)n2)CCN1 237750041 UKXPPRKMMRETIG-QMMMGPOBSA-N 292.368 0.291 0 50 CCAA Cc1c(CN2C[C@H]3COC[C@@H]2CN(C)C3)cnn1C 1704315255 YWUSZLJZDDDISA-JSGCOSHPSA-N 264.373 0.491 0 50 CCAA C[C@H](NC(=O)C(=O)c1cnn(C)c1)[C@H](O)c1ccccc1 811540661 ZCXAGORVNAIJFR-GWCFXTLKSA-N 287.319 0.841 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC(C)(C)CC[C@@H]1CO 1120776700 OZRFSGLVUWCYOK-LLVKDONJSA-N 268.357 0.640 0 50 CCAA CS(=O)(=O)NC(=O)Cn1c(C2CC2)nc2ccccc21 1875390695 VABCSYVCEWLTFH-UHFFFAOYSA-N 293.348 0.990 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CC(c3nocc3C)C2)C1 1875387643 QSFSWPMFTIDWDC-UHFFFAOYSA-N 275.308 0.553 0 50 CCAA CCC[C@@](C)(O)C(=O)N1CC(c2cc(CO)on2)C1 886084735 DBJVFRHJEOQUAV-CYBMUJFWSA-N 268.313 0.644 0 50 CCAA O=C(Cn1cncn1)N1CCOc2ccccc2[C@H]1CO 887107291 FHFLGDSRUWFHRF-GFCCVEGCSA-N 288.307 0.233 0 50 CCAA NC(=O)C1(C(=O)N2CC[C@H](C(F)(F)F)C2)CC1 888009632 JBMFKDIMJDNOCB-LURJTMIESA-N 250.220 0.663 0 50 CCAA CC1(C)CN(C[C@](C)(O)C(F)(F)F)CCS1(=O)=O 407956409 KHRCEHVYFHBANA-VIFPVBQESA-N 289.319 0.809 0 50 CCAA Cc1nc(C)c(CNC(=O)[C@H]2CNCCOC2)s1 649339570 KSODJBMMSMQWCG-JTQLQIEISA-N 269.370 0.612 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(CC(=O)N2CCCC[C@H]2C)C1 368486584 BZLFCLDBTIYXDG-FRRDWIJNSA-N 270.373 0.469 0 50 CCAA C[C@@H]1CN(C2CC2)CCN1C(=O)c1nnc2n1CCCC2 2100545217 KCSWUVCBZMMXRG-LLVKDONJSA-N 289.383 0.923 0 50 CCAA NC(=O)[C@@H]1CCN(C(=O)CCCc2nc(C3CC3)no2)C1 2325735070 UFDLJVXECAJCFU-SNVBAGLBSA-N 292.339 0.604 0 50 CCAA Cc1c(C(=O)NC[C@H](C)c2nncn2C)cnc2ccnn12 2325791505 FDYJTBMHRHGLJB-VIFPVBQESA-N 299.338 0.700 0 50 CCAA CNS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 3267662 ZLMRZOHMHKRTFQ-UHFFFAOYSA-N 298.773 0.156 0 50 CCAA O=C(NCCc1nc(-c2ccccn2)no1)[C@H]1CCOC1 20907971 IRIOALLBBSVEPI-JTQLQIEISA-N 288.307 0.827 0 50 CCAA Cc1cccnc1CN(C)C(=O)C1=NN(C)C(=O)CC1 20780474 UEQAIGIKPYOZID-UHFFFAOYSA-N 274.324 0.957 0 50 CCAA CN(C)N1C(=O)C[C@@H](n2cnc3ccccc32)C1=O 100328217 MTZUGCASNDWONO-LLVKDONJSA-N 258.281 0.813 0 50 CCAA CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 117156081 MVAIQODSRXKFRD-ZETCQYMHSA-N 279.314 0.105 0 50 CCAA O=C(CC1CCNCC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 238131184 SKBXTGQZYYEIRL-UONOGXRCSA-N 282.384 0.783 0 50 CCAA O[C@H](CN1CCO[C@@H](Cn2cncn2)C1)c1ccccc1 229552500 CFNHCENOJSWHIG-HUUCEWRRSA-N 288.351 0.713 0 50 CCAA Cc1[nH]c2ccccc2c1CC(=O)NC[C@]1(O)CCNC1 72166043 IHFSOJICYAOQLQ-INIZCTEOSA-N 287.363 0.859 0 50 CCAA Cn1cncc1C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 36208751 BGZFLUIZBZNCTI-SECBINFHSA-N 269.301 0.941 0 50 CCAA COCC[C@H]1COCCN1CCN1C(=O)NC(C)(C)C1=O 365839698 VKEIBKPOHYQAOW-NSHDSACASA-N 299.371 0.054 0 50 CCAA C[C@@H](C(=O)N(CC(=O)O)c1ccccc1)N1CCOCC1 261639327 GDZCSJVTORREDS-LBPRGKRZSA-N 292.335 0.825 0 50 CCAA CCc1nc(C)c(C(=O)N2CC[C@@](O)(CC)[C@@H](O)C2)o1 219641963 YTTWJLWEGVFLFH-HZMBPMFUSA-N 282.340 0.893 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1nccn2ccnc12 282269418 UMGTXDFREMIATL-DTWKUNHWSA-N 273.296 0.126 0 50 CCAA CCc1cc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)nc(C)n1 284583457 OGBBFXPUQBUFEJ-NEPJUHHUSA-N 275.356 0.950 0 50 CCAA Nc1nc(CNC(=O)c2cccc(OC(F)F)c2)n[nH]1 220438500 OSTMGWPUQOTXTN-UHFFFAOYSA-N 283.238 0.918 0 50 CCAA Cc1nonc1CC(=O)NCC1(N(C)C)CCOCC1 426643047 UFRWZJRKCIWJNN-UHFFFAOYSA-N 282.344 0.148 0 50 CCAA Cn1ncc(NC(=O)Cn2cc(-c3ncccn3)cn2)n1 48155915 WXTLUKCCZZIXPC-UHFFFAOYSA-N 284.283 0.107 0 50 CCAA Cc1nn(C)cc1CNc1cc(C2CC(N)C2)nc(N)n1 223678021 CRMBOJUNZOFKDH-UHFFFAOYSA-N 287.371 0.918 0 50 CCAA O=C(O)Cn1ccc(NC(=O)C[C@H]2CCCO2)n1 178221383 OICWMSPXQRVTPE-MRVPVSSYSA-N 253.258 0.475 0 50 CCAA Cc1nc(CCN(C)C(=O)[C@@H](C)N2CCN(C)CC2)no1 426423381 KMGLDNCXMIRMDD-LLVKDONJSA-N 295.387 0.015 0 50 CCAA CN(C)c1nc(N)nc(CNC(=O)c2cc(Cl)c[nH]2)n1 426547606 KDWVGBXLHSCEGB-UHFFFAOYSA-N 295.734 0.431 0 50 CCAA CCN(CC)S(=O)(=O)N[C@@H](C)c1nc(C)no1 330447097 XZOVMVFSGHIHCB-ZETCQYMHSA-N 262.335 0.615 0 50 CCAA CCc1[nH]nc(C(=O)NC[C@H](O)CN2CCCC2)c1C 97505663 HLWDUCLGBHUWGX-NSHDSACASA-N 280.372 0.467 0 50 CCAA O=C([C@H]1CCOC1)N1CCN(Cc2ccco2)CC1 97797541 RHFJEQRNNLZZGH-LBPRGKRZSA-N 264.325 0.960 0 50 CCAA CCN(C)C[C@@H]1CN(c2nnc(C)s2)C[C@@H]1CO 91304263 JUIRLWOFXHPLPE-GHMZBOCLSA-N 270.402 0.843 0 50 CCAA C[C@H](C(=O)NCC1(O)CCN(C)CC1)n1ccnc1 252499184 RWTHDSQDEMOQSP-LLVKDONJSA-N 266.345 0.017 0 50 CCAA O=C(COC[C@@H]1CCCCO1)NCCCn1ccnc1 252482245 DBKYKCKBHGAKSF-ZDUSSCGKSA-N 281.356 0.975 0 50 CCAA O=C(NC1CC1)[C@@H](O)C1CCN(CCn2cccn2)CC1 299749408 KFGJIOBIEWADHI-AWEZNQCLSA-N 292.383 0.235 0 50 CCAA CNCC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 299740159 WJBOFRLHLMEWSQ-JHJVBQTASA-N 269.389 0.306 0 50 CCAA CC[C@H](NC(=O)CCn1ccc(C)n1)c1ncnn1C 534673786 KTGSNORBAYXMED-NSHDSACASA-N 276.344 0.978 0 50 CCAA CN(C)S(=O)(=O)N[C@H]1CCCN(Cc2cccnc2)C1 534644015 YIBGVFYYWKAODP-ZDUSSCGKSA-N 298.412 0.442 0 50 CCAA COC(=O)c1cn([C@@H]2CSC[C@H]2O)cc2c(=O)[nH]nc1-2 263587296 FHIFLDWWXFNPEP-RKDXNWHRSA-N 295.320 0.112 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C)c(C)c1 617873041 UEGUTBJXOMRNBS-CHWSQXEVSA-N 297.376 0.845 0 50 CCAA CCN(CC)S(=O)(=O)NCc1cnn(CC)c1C 534578267 VQUJWPRHQRDSTB-UHFFFAOYSA-N 274.390 0.888 0 50 CCAA CCOCC(=O)N[C@@H](C(=O)NC)c1ccccc1 299791245 DJPURKCIFRTABO-GFCCVEGCSA-N 250.298 0.626 0 50 CCAA Nc1cc(C(=O)NCCOc2ccccc2F)[nH]n1 828210090 NQZJDEFASWORAX-UHFFFAOYSA-N 264.260 0.940 0 50 CCAA COCCN1CCC(CN(C)C(=O)c2cncn2C)CC1 584892342 CHVLTGSIUFVFON-UHFFFAOYSA-N 294.399 0.851 0 50 CCAA CN1CCOC[C@@H](Cn2cnc3ccncc3c2=O)C1 584899362 QIQGXOKYYWCATA-LLVKDONJSA-N 274.324 0.370 0 50 CCAA Cc1nc(CN(C)C[C@H]2CC(=O)N(C)C2)n(C)c1C 584890801 JIMHYKSIHDPIGU-GFCCVEGCSA-N 264.373 0.947 0 50 CCAA CCn1nccc1S(=O)(=O)N[C@H]1CCO[C@@H]1C 274545469 GCCLTDRAZQXKHP-BDAKNGLRSA-N 259.331 0.359 0 50 CCAA CN(C)Cc1nc(C(=O)N[C@H]2CCOC[C@@H]2O)cs1 1565526940 VWHJQAOQQXXNOR-WPRPVWTQSA-N 285.369 0.084 0 50 CCAA CSc1nc(C)cc(N[C@@H]2CCNC[C@H]2O)n1 77505211 JAHPACSJIYPCJE-RKDXNWHRSA-N 254.359 0.642 0 50 CCAA Cc1cc(CC(=O)N2CCC[C@@H]([C@@H](C)N)C2)n[nH]1 269243365 DEIFLYUUNKZWNV-GHMZBOCLSA-N 250.346 0.846 0 50 CCAA CS(=O)(=O)C1(C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 408206836 USGKVNJRFGBVEH-SECBINFHSA-N 283.353 0.481 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cc[nH]n1 643765425 SUYWVHJIMAMBOA-GFCCVEGCSA-N 252.318 0.137 0 50 CCAA c1cnc(CN2CCC[C@@H]2CN2CCOCC2)nc1 192044365 OPSSNNBVWFVLIG-CYBMUJFWSA-N 262.357 0.773 0 50 CCAA C=CC(=O)NCCC(=O)NCc1nc(C(F)(F)F)no1 907297886 KLOPJVUGSINIIP-UHFFFAOYSA-N 292.217 0.397 0 50 CCAA CNC(=O)Cn1cc(NC(=O)[C@H](C)n2cc(C)cn2)cn1 1506404221 YRKUERLGUXMGAE-JTQLQIEISA-N 290.327 0.334 0 50 CCAA O=C(O)c1ccc(NCCCN2CCC[C@H](O)C2)nn1 1506423258 GRMOJNFZISXQGB-JTQLQIEISA-N 280.328 0.434 0 50 CCAA Nc1cncc(N2CCC(C(=O)N3CCCC3)CC2)n1 1857678199 DNEAPMBNFFPPTI-UHFFFAOYSA-N 275.356 0.898 0 50 CCAA CCOCCC(=O)Nc1csc2nc(=O)c(C)nn12 1506411346 QIFLATGDYOKALQ-UHFFFAOYSA-N 282.325 0.825 0 50 CCAA O=C(O)CS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1 392062 ZCACXMSCORIELG-UHFFFAOYSA-N 291.712 0.778 0 50 CCAA CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C 405238 RAOBBFGKWWXVPZ-UHFFFAOYSA-N 268.342 0.708 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]2O)n[nH]1 1704300895 AYJGXJBCUGHQDK-YPMHNXCESA-N 274.324 0.722 0 50 CCAA CC[C@@H]1CC[C@@H](C(=O)N2CCS(=O)(=O)CCO2)O1 1875276427 GQDNKRWDCMDYPP-ZJUUUORDSA-N 277.342 0.133 0 50 CCAA CCCN1CCC[C@H]1C(=O)N1CC[C@H](CNC)C1 262568981 AXYTUHCTDNZWJR-OLZOCXBDSA-N 253.390 0.929 0 50 CCAA O=C(N[C@@H](CCO)C(F)(F)F)c1ccc(O)cn1 1645532530 XZASBZQIUCDDAE-QMMMGPOBSA-N 264.203 0.830 0 50 CCAA O=C1CCCN1C1CCN(CC[C@@H]2COCCO2)CC1 1775982025 ZYYBUTPEYVCBIG-CQSZACIVSA-N 282.384 0.879 0 50 CCAA Cn1ncnc1CCNC(=O)c1[nH]nc2c1CCCC2 19800114 PJLMKBLAMNYOBV-UHFFFAOYSA-N 274.328 0.390 0 50 CCAA CCOc1ccc(CNC[C@@H]2CC(C(N)=O)=NO2)cc1 225601447 WWODYCYJLJUYTO-LBPRGKRZSA-N 277.324 0.805 0 50 CCAA CN1CCC[C@@H]1CNC(=O)NC[C@H]1CCn2ccnc2C1 637380552 ZAAVOBFOOFDZCP-QWHCGFSZSA-N 291.399 0.839 0 50 CCAA CCc1nccn1CCC(=O)N1C[C@H]2CCN(C)[C@H]2C1 248120772 JZSRQZASDLDAHR-OLZOCXBDSA-N 276.384 0.998 0 50 CCAA O=C1O[C@@H](CO)CN1c1ccc(N2CCOCC2)c(F)c1 21298212 OLDRPBWULXUVTL-LLVKDONJSA-N 296.298 0.980 0 50 CCAA in-vitro Cn1ncc2c(N)nc(N3CCC[C@]34CCNC4)nc21 900449973 LFGIUEUTBIRELX-CYBMUJFWSA-N 273.344 0.278 0 50 CCAA C[C@H]1CN(C(=O)CN2CCNC(=O)C2)[C@H]1c1ccccc1 900880897 FWMIKYMSQRVZNI-BLLLJJGKSA-N 287.363 0.638 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H](CC(N)=O)CC1 861634600 NSLURKDBBIEAMQ-LLVKDONJSA-N 281.356 0.135 0 50 CCAA CCc1[nH]ccc1C(=O)N[C@H]1CCO[C@H]1c1nc[nH]n1 952888169 FXZHVPCKKTZMIU-WDEREUQCSA-N 275.312 0.955 0 50 CCAA Cc1nonc1C(=O)NC[C@@H]1CCC(F)(F)C(=O)N1 1875297629 ZBFRJMWPFUVHAL-LURJTMIESA-N 274.227 0.022 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCc2ncnn2CC)CC1 1875365360 DXERURYEWSKCOT-UHFFFAOYSA-N 291.355 0.339 0 50 CCAA NCC12CC(C(=O)N3CCC[C@@H](c4cnn[nH]4)C3)(C1)C2 1875315402 TWLUCWDKXRFXSA-GWMXKSKGSA-N 275.356 0.640 0 50 CCAA O=C(NC1CC1)[C@@H](O)C1CCN(Cc2cc[nH]n2)CC1 886068705 JGSOUCRXBGZGFA-ZDUSSCGKSA-N 278.356 0.261 0 50 CCAA O=C(O)[C@H](Cc1ccc(O)c(F)c1)NC(=O)[C@@H]1CCCO1 1775999503 URILXRRSERKWQZ-JQWIXIFHSA-N 297.282 0.822 0 50 CCAA CN(Cc1ccc(CO)o1)[C@H]1CCN(S(C)(=O)=O)C1 292879056 XKBNLDNEGXBNCQ-JTQLQIEISA-N 288.369 0.238 0 50 CCAA Cc1cc(N2CCN(C[C@@H](O)CO)CC2)cc(C)n1 97515139 OCFDMRMSAIWNTP-CQSZACIVSA-N 265.357 0.174 0 50 CCAA CC(C)(C)N1CC[C@H](CNC(=O)c2cnn[nH]2)C1 534634212 MFXBWHLDWMOGJK-SECBINFHSA-N 251.334 0.655 0 50 CCAA NC(=O)C1(NC(=O)[C@@H]2CCCNCC2)CCCC1 846671751 YCVDJVYBLMJWJB-SNVBAGLBSA-N 253.346 0.290 0 50 CCAA O=C1[C@H]2CCCN2S(=O)(=O)N1Cn1cc(Cl)cn1 2325772844 VWAXEUKANMGBKD-MRVPVSSYSA-N 290.732 0.045 0 50 CCAA O=C1OCC[C@@]1(O)CN1CC[C@@H](Cc2ccc(O)cc2)C1 2325807670 KZWHIRKLLHCMAX-XJKSGUPXSA-N 291.347 0.935 0 50 CCAA O=C(COC1CC1)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12 907947294 DIHHRGRRECKOOU-MKHNBGRSSA-N 253.298 0.781 0 50 CCAA Cc1c(C(=O)O)sc2ncn(CC(=O)O)c(=O)c12 149864 ZYANXQZKMPJBBF-UHFFFAOYSA-N 268.250 0.549 0 50 CCAA CCOc1nc(NC(C)(C)CO)nc(OCC)n1 199023 DSCJZCGZYDHVSP-UHFFFAOYSA-N 256.306 0.852 0 50 CCAA OC[C@H]1[C@@H]2CC[C@@]3(CN(c4ncnc5[nH]cnc45)C[C@@H]13)O2 2356169100 KRAKMNZCCBEKLW-YCWTYVPXSA-N 287.323 0.329 0 50 CCAA Cc1oc(CNC(=O)[C@H](C)S(C)(=O)=O)cc1C(=O)O 134435133 NGJVQJXRTWQCCZ-ZETCQYMHSA-N 289.309 0.336 0 50 CCAA O=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)c1cc(Cl)c[nH]1 20214194 NKWYAKVHVPHNOR-VIFPVBQESA-N 282.687 0.817 0 50 CCAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)Cc2ccon2)C1 229310429 RHZCUVRRSMBDSU-ONGXEEELSA-N 273.358 0.434 0 50 CCAA O=C(c1ncoc1C1CC1)N1CCOC[C@@H]1c1nc[nH]n1 329186742 PWOSGNCMCRSLMX-SECBINFHSA-N 289.295 0.884 0 50 CCAA Cc1csc(CCCNC[C@]2(O)CCNC2)n1 77318901 ZPXIZGZVNCPMRP-GFCCVEGCSA-N 255.387 0.698 0 50 CCAA CCO[C@H](C)C(=O)N1CCO[C@H](CN(C)CC(=N)O)C1 328634396 MTQLXHRXKNUSJV-GHMZBOCLSA-N 287.360 0.106 0 50 CCAA C[C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](CN(C)CC(=N)O)C2)O1 328627413 GBRDPDAEEYOGOB-WOPDTQHZSA-N 299.371 0.248 0 50 CCAA C[C@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H](C)N1 153497190 MLHWCSZSJHICOR-QWRGUYRKSA-N 291.351 0.373 0 50 CCAA C[C@@H]1OCC[C@]1(O)CN[C@H]1[C@@H]2CCO[C@@H]2C1(C)C 330336173 SFFZCLWLFYRIRZ-JNLQPACOSA-N 255.358 0.929 0 50 CCAA O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccon2)[C@H]2C=C[C@H]1C2 125351066 DOWXGYHIBZTAJH-UUTMEEIUSA-N 262.265 0.814 0 50 CCAA O=C(c1c[nH]nn1)N1CCN(C(=O)C2CCCCC2)CC1 72133628 VGCLOIWUVSSMSQ-UHFFFAOYSA-N 291.355 0.669 0 50 CCAA CCC(=O)N1CCN(C(=O)c2cnn3c2CCC3)C1 333645554 YAMOATKSYDCCTC-UHFFFAOYSA-N 262.313 0.481 0 50 CCAA O=C(NCCc1cccnc1)[C@H]1CC(=O)N(C2CC2)C1 48426295 HAKLVZHJPGRKIE-LBPRGKRZSA-N 273.336 0.751 0 50 CCAA COC(=O)[C@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1 40845025 DFZMPKMSTNKZKL-IUCAKERBSA-N 259.302 0.777 0 50 CCAA O=C(O)CC[C@H]1CCCCN1C(=O)NCCn1cncn1 381812686 SHQXXMFVYXYXOH-LLVKDONJSA-N 295.343 0.707 0 50 CCAA COc1cc(C(=O)O)cc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1 426404419 WPZIMWNWJXJKRS-AOOOYVTPSA-N 293.275 0.986 0 50 CCAA CC(=O)NC(C)(C)C(=O)NCc1cccnc1N 426667522 PZKAMGWFKWPHLQ-UHFFFAOYSA-N 250.302 0.195 0 50 CCAA C[C@H](C(=O)NCCc1noc(C2CC2)n1)N(C)C 426371193 QYTYTJOIPUVTJG-MRVPVSSYSA-N 252.318 0.556 0 50 CCAA CCC[C@@]1(CO)CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1 92037941 DDJNRJIZOGFGFI-CQSZACIVSA-N 295.339 0.078 0 50 CCAA CCCc1cc(C(=O)NCCc2nc(C)cc(=O)[nH]2)[nH]n1 91586600 ONSGMJCRKVWLGH-UHFFFAOYSA-N 289.339 0.726 0 50 CCAA CN(CCn1cccn1)C(=O)C[C@H]1CCCN1C 97632093 SREZWVJINZRIAV-GFCCVEGCSA-N 250.346 0.826 0 50 CCAA C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCO 524730016 RDUNYMHADUIKKS-WBIUFABUSA-N 290.319 0.205 0 50 CCAA biogenic C[C@@H](Cn1cncn1)C(=O)N(C)CCCc1nccn1C 252504524 VJSWXYNNAOMOLP-LBPRGKRZSA-N 290.371 0.739 0 50 CCAA O=C(O)C1CCN(C(=O)CCOC[C@H]2CCCO2)CC1 299752691 VBIAMKZQCVPXGU-GFCCVEGCSA-N 285.340 0.895 0 50 CCAA Cc1cc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)no1 299745969 UIWRLUQJLVHBRF-YPMHNXCESA-N 297.330 0.754 0 50 CCAA O=C(NC[C@H](O)c1ccccc1Cl)[C@@H]1C[C@@H](O)CN1 299747979 FQXKUAKRMBIXFE-ZHAHWJHGSA-N 284.743 0.212 0 50 CCAA Oc1cc(CN2CCC[C@]3(CCNC3)C2)nc(O)n1 534636303 HQRMILQCMMRAQD-CYBMUJFWSA-N 264.329 0.463 0 50 CCAA CN(C)c1nc(=NCC2(CO)CCOCC2)s[nH]1 534646563 DCQKVTCZIGQXEW-UHFFFAOYSA-N 272.374 0.227 0 50 CCAA C[C@@H](O)[C@H](N)C(=O)NCCCc1nc2cc(F)ccc2[nH]1 299779441 RTRDMILGAGEEHS-OQPBUACISA-N 294.330 0.459 0 50 CCAA CC(C)n1ccnc1CN1CCN(c2nc[nH]n2)CC1 299764214 RZRSSJROPMSJQZ-UHFFFAOYSA-N 275.360 0.904 0 50 CCAA Cc1nc([C@H]2CCCN(CCn3cnnc3)C2)n[nH]1 825262135 LEGAAJMYWGMVSB-NSHDSACASA-N 261.333 0.584 0 50 CCAA CN1CCC[C@H](CCNc2cc(NCCO)nc(N)n2)C1 828767779 MOYXCSFJQUHQGA-LLVKDONJSA-N 294.403 0.607 0 50 CCAA OCCO[C@@H]1COCC[C@H]1NC1CSCCSC1 828771365 XULMFSYDKHPEIJ-VXGBXAGGSA-N 293.454 0.591 0 50 CCAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)[C@H]1CCOC1 670445439 QBNTWFMDDXLFFZ-LBPRGKRZSA-N 295.383 0.819 0 50 CCAA CC(C)CN1CCN(C(=O)c2cncn2C)C[C@H]1CCO 584903658 ABUVVZPEPIMAQY-CYBMUJFWSA-N 294.399 0.585 0 50 CCAA Cc1ncn(CCNC(=O)c2ccc3nnnn3c2)c1C 584886208 JTOZOFZBKLRARS-UHFFFAOYSA-N 285.311 0.368 0 50 CCAA CCc1nnc(CN(C)S(=O)(=O)N2CCCC2)o1 670439516 YSXVSHKIZOWWDE-UHFFFAOYSA-N 274.346 0.404 0 50 CCAA C[C@@H](NC(=O)N1CCSCC1)c1nc(N)n[nH]1 670440190 XPNWNPPJCVXTOQ-ZCFIWIBFSA-N 256.335 0.206 0 50 CCAA CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)C[C@H]1CCCO1 407990054 MVCHVNQNHREPJY-TUAOUCFPSA-N 283.372 0.864 0 50 CCAA Cc1cc(N2CCC[C@@H]2CS(N)(=O)=O)ncn1 408155719 SVKYRDRTDLIOLH-SECBINFHSA-N 256.331 0.042 0 50 CCAA CCC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H](C)O 408241335 VOKOZLJOHMTKKK-RKDXNWHRSA-N 260.359 0.137 0 50 CCAA CN(C)CC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565513795 ZDVBGFANQIWFIY-RYUDHWBXSA-N 299.396 0.495 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 82345792 ALALCZQCEOOJNX-MRVPVSSYSA-N 264.347 0.545 0 50 CCAA in-vitro O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1CCCC1 100626775 MMFNJSOCHQDBHI-ZDEQEGDKSA-N 260.337 0.889 0 50 CCAA Cn1cc(C(=O)NC[C@@H]2CCc3nccn3C2)cn1 276240911 KSOBSNRDGMWFJS-JTQLQIEISA-N 259.313 0.609 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1c(C)cnn1C 643765837 IEEXLGBDLUJEPJ-AWEZNQCLSA-N 280.372 0.456 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cncc(OC)c1 643821928 HGLCPWSABYQIRW-AWEZNQCLSA-N 279.340 0.557 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCC[C@](O)(c2cnn[nH]2)C1 583619042 ZHAZJSOOOUIPEA-CYBMUJFWSA-N 275.312 0.565 0 50 CCAA COCCOc1ccnc(NC(=O)N[C@]2(C)CCOC2)n1 1615588240 ZVOFSGBENPXDEF-CYBMUJFWSA-N 296.327 0.802 0 50 CCAA O=C1CN(c2cc(CO)cc(C(F)(F)F)n2)CCN1 1616036578 YJJOKFJTYKDUBA-UHFFFAOYSA-N 275.230 0.529 0 50 CCAA COC(=O)[C@]12CCCC[C@@H]1CN(S(=O)(=O)N(C)C)C2 1857533319 UHDHNIHRFZCNRA-PWSUYJOCSA-N 290.385 0.458 0 50 CCAA CS(=O)(=O)C[C@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 1434028766 AKRRTLFKSJWORN-LBPRGKRZSA-N 299.396 0.626 0 50 CCAA Cn1c(S)nnc1C1CCN(S(C)(=O)=O)CC1 117925778 WVYLVQDEQHAOAU-UHFFFAOYSA-N 276.387 0.243 0 50 CCAA CCS(=O)(=O)N1CCN([C@@H](C)c2csnn2)CC1 932578601 XJCGECPSLTZCKH-VIFPVBQESA-N 290.414 0.566 0 50 CCAA O=C(c1cn[nH]c1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704300793 WJJAHTQCOCWBRU-ZWNOBZJWSA-N 272.308 0.480 0 50 CCAA COCCN1CCC[C@@](O)(CNC2CCCCC2)C1=O 12204977 PNEOCOFBSDNQOE-OAHLLOKOSA-N 284.400 0.909 0 50 CCAA Cc1ncc(-c2nccn2C[C@H]2CN(C)CCO2)n1C 1857667477 UBODTXJXSPPVPU-GFCCVEGCSA-N 275.356 0.923 0 50 CCAA O=C(c1cccnc1)N1CCO[C@@H](Cn2cccn2)C1 111087688 FLBFEGKOZDCRSD-CYBMUJFWSA-N 272.308 0.819 0 50 CCAA CC(=O)NC(C)(C)c1noc(Cn2ccc(C)cc2=O)n1 330859364 UDJTXMVGESBNAX-UHFFFAOYSA-N 290.323 0.959 0 50 CCAA CNC(=O)NC1CN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 332465182 QNMNXXNYXNXRHL-ZDUSSCGKSA-N 296.415 0.637 0 50 CCAA NC(=O)C[C@]1(O)CCCN(CCc2ccncc2)C1 643803539 BUZGBKNCBRIHNT-CQSZACIVSA-N 263.341 0.326 0 50 CCAA CC(C)n1nnc(NC(=O)N[C@H]2CC23CCOCC3)n1 933459775 RNXJQTFICVCFJL-VIFPVBQESA-N 280.332 0.945 0 50 CCAA CN(Cc1cnn2c1CNCC2)[C@H]1CCN(C2CC2)C1=O 952889744 LJESWRPERABYGM-ZDUSSCGKSA-N 289.383 0.181 0 50 CCAA COCc1csc(CNC(=O)[C@@H](N)c2cn(C)nn2)c1 1875304345 HYSRKHJUNIQIJL-NSHDSACASA-N 295.368 0.339 0 50 CCAA Cc1cc(CCNC(=O)C[C@@H]2CNC[C@H]2O)ccc1F 1875401808 SLVRVMRUXOHYNT-TZMCWYRMSA-N 280.343 0.763 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(Cc2ncnn2CC(C)C)C1 344847187 KGISMIOQHGZMJV-NWDGAFQWSA-N 268.361 0.516 0 50 CCAA Cc1cc(C)cc(S(=O)(=O)NC[C@]2(O)CCCNC2)c1 534588309 ZRNHGSRQDHQMKM-AWEZNQCLSA-N 298.408 0.696 0 50 CCAA CN(C(=O)OCc1ccccc1)[C@H](CC(N)=O)C(=O)O 2899056 WYDIYVSIFPKQFO-SNVBAGLBSA-N 280.280 0.584 0 50 CCAA O=C(NC(=S)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 4755662 MGODZYXDEJPXNH-JTQLQIEISA-N 298.389 0.478 0 50 CCAA Cc1cc(C)n(C2=NN[C@@H](N3CCOCC3)C=C2)n1 22591281 AXSCKUBQCFTFAL-LBPRGKRZSA-N 261.329 0.479 0 50 CCAA COC(=O)c1cc(I)[nH]n1 219002773 IMAPLGQOWUWXGL-UHFFFAOYSA-N 252.011 0.801 0 50 CCAA in-vitro C[C@H]1CCS(=O)(=O)CCN1Cc1cnc2cnccn12 330323409 HQMRBBFQHUKBRQ-NSHDSACASA-N 294.380 0.738 0 50 CCAA C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@@H](C)N1 153697628 AZPBHSJBDZFFPQ-AOOOYVTPSA-N 289.335 0.840 0 50 CCAA COC(=O)CNC(=O)C[C@@H]1NC(=O)c2ccccc21 218557379 JKMLIANDRNPUIX-JTQLQIEISA-N 262.265 0.150 0 50 CCAA COc1cccc(CN2CCC[C@@H](S(N)(=O)=O)C2)n1 368626302 SMGLJIFJDMXMME-LLVKDONJSA-N 285.369 0.343 0 50 CCAA Cn1cc(-c2cc(CN3C[C@H](F)C[C@H]3C(N)=O)on2)cn1 284982982 XMLUIACBYHKUME-SKDRFNHKSA-N 293.302 0.473 0 50 CCAA COc1coc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1=O 333310222 NWZBCHRVGOMZIL-KJZCUWKRSA-N 277.320 0.850 0 50 CCAA C[C@]1(F)CNCCN(S(=O)(=O)c2ccco2)C1 335168584 FXMFRZJDFHMNMS-JTQLQIEISA-N 262.306 0.602 0 50 CCAA CS[C@@H](CO)[C@H](C)Nc1ccc2nc(C)nn2n1 240551691 GVKWJMRAZXTSSG-CBAPKCEASA-N 267.358 0.957 0 50 CCAA O=C(Nc1nnc[nH]1)c1c[nH]c(=O)c2ccccc12 189954730 PYBRGDIGVPEZEC-UHFFFAOYSA-N 255.237 0.899 0 50 CCAA C[C@H](C(=O)NCCN1CCC[C@H](O)C1)n1ccnc1 43119840 SSSMBMSYVPSPKA-NEPJUHHUSA-N 266.345 0.017 0 50 CCAA Cc1ncn(CCNC(=O)CCn2nnnc2C)c1C 221305819 JIIFMBQIVOOBRD-UHFFFAOYSA-N 277.332 0.001 0 50 CCAA CCOc1cc(N2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)ncn1 286449762 MWTNPNYBRXSEQY-SECBINFHSA-N 290.327 0.671 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1CCOc1ccc(F)cc1 228616933 BDIGRCALXPCHNW-PWSUYJOCSA-N 269.272 0.724 0 50 CCAA CCc1nccn1CCC(=O)N[C@@H]1COCC[C@H]1O 223101192 SOZJMTGMJDMVBC-GHMZBOCLSA-N 267.329 0.102 0 50 CCAA CC(C)N1CCC[C@@H](CNC(=O)NCc2nn[nH]n2)C1 426619969 DQYGPVAMAMSSOY-JTQLQIEISA-N 281.364 0.119 0 50 CCAA O=C(O)[C@H]1[C@@H]2C(=O)N(c3nccs3)C[C@@]23C=C[C@H]1O3 226135457 KGBDEFWFIYRKEU-ASSXTNMASA-N 278.289 0.514 0 50 CCAA O=C(NCCCc1nn[nH]n1)c1cc(C2CC2)[nH]n1 426493943 FITRMIVPIUZSEU-UHFFFAOYSA-N 261.289 0.163 0 50 CCAA COCCN(C)CC(=O)N1C[C@@H](C)[C@](O)(C(C)C)C1 91665113 HDMKHFCPPKXZNV-TZMCWYRMSA-N 272.389 0.430 0 50 CCAA O[C@]12CCNC[C@H]1CN(c1nnc(C3CCC3)o1)CC2 95379951 PTMLYCDVYJPARZ-FZMZJTMJSA-N 278.356 0.888 0 50 CCAA CCOC(=O)CNC(=O)[C@@H](CO)Cc1ccccc1 148755400 VDDHFOBXAAWISX-GFCCVEGCSA-N 265.309 0.517 0 50 CCAA COc1ccc(CNC(=O)[C@@H]2CCCN2C(N)=O)cc1F 97813713 UJUKVGCHHXSEOQ-NSHDSACASA-N 295.314 0.994 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)N1CC[C@](C)(C(=O)O)C1 299743077 JUYGERQPSSIQMC-CABZTGNLSA-N 286.353 0.231 0 50 CCAA CO[C@@H](C)c1noc(CCC(=O)N2C[C@H](C)N[C@H](C)C2)n1 299740375 YZWGAJOJWVYIGA-AXFHLTTASA-N 296.371 0.918 0 50 CCAA COCC(=O)Nc1cc(CN)cc(C(=O)OC)c1 299756213 DQXJBGAMGGUQQH-UHFFFAOYSA-N 252.270 0.517 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)CCC1CCN(C)CC1 824504920 ZXSMTDAEORQQJL-KBPBESRZSA-N 283.416 0.554 0 50 CCAA Nc1ccnc(C(=O)NCCCN2CCCC[C@@H]2CO)c1 828710751 AEXNBCFDCKHUQB-CYBMUJFWSA-N 292.383 0.631 0 50 CCAA CN1CCN(C2(CNS(C)(=O)=O)CCCC2)CC1 823789335 DIEMSTWOSIPMTJ-UHFFFAOYSA-N 275.418 0.096 0 50 CCAA Cc1nncn1CCN1CCCN(C(=O)C2CC2)CC1 827696021 ROTQOZSLMHRCRC-UHFFFAOYSA-N 277.372 0.531 0 50 CCAA CCc1noc([C@@H](C)NS(=O)(=O)c2cn(C)c(C)n2)n1 670454436 AELZRTDDSVCDJS-SSDOTTSWSA-N 299.356 0.713 0 50 CCAA CN(CC(=O)Nc1ccn(C)n1)Cc1cscn1 670434002 OJFSSIYJXSBKNU-UHFFFAOYSA-N 265.342 0.947 0 50 CCAA CN(C)C[C@@]1(O)CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 1548748921 ZOKZLZLKQOXLFZ-NHYWBVRUSA-N 292.383 0.355 0 50 CCAA O=C1CCCN1CCCC(=O)N1CCN2C(=O)OC[C@@H]2C1 952973129 YEEJKFPVKJISFS-NSHDSACASA-N 295.339 0.052 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)N1CCCN(C)C(=O)C1 190818414 AIDWAEOVIJAMBE-MNOVXSKESA-N 254.330 0.492 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccncc1 643852896 OCHSRYIHHGTDKB-CYBMUJFWSA-N 264.281 0.787 0 50 CCAA CC(C)=CCCNC(=O)CN1CCCC[C@@H](O)C1=O 644449418 NZAFFEDXEQYBBF-GFCCVEGCSA-N 268.357 0.832 0 50 CCAA CCN1CC[C@@H](Nc2cc(C(=O)O)ncn2)C1=O 708597322 HKNGMVJBCONVHT-SSDOTTSWSA-N 250.258 0.208 0 50 CCAA CN(C)[C@H]1CCN(CCn2cc(-c3cc[nH]n3)nn2)C1 656444012 SVJFRRDUKSOCEN-NSHDSACASA-N 275.360 0.304 0 50 CCAA O=C(c1ccnc2[nH]cnc12)N1CC[C@H](c2nc[nH]n2)C1 1638589736 OQQMDVYPBPIGOX-QMMMGPOBSA-N 283.295 0.706 0 50 CCAA CC(=O)NCCN(C)C(=O)[C@H]1CC[C@H](C(F)(F)F)N1 1615548353 NTXDBGAYUIVWGR-RKDXNWHRSA-N 281.278 0.264 0 50 CCAA COc1ccc2[nH]c(=O)c(C(=O)N[C@H]3CCNC3)cc2c1 1615555600 ZPXIOKSZORZXTF-JTQLQIEISA-N 287.319 0.628 0 50 CCAA CC(C)(NC(=O)c1cc(CO)on1)[C@H](O)C(F)(F)F 1615548037 KNAJBKXVXGAQRE-QMMMGPOBSA-N 282.218 0.599 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NCCCc2nn[nH]n2)n1 1506414914 SKFJRQAHBFSVHV-SNVBAGLBSA-N 263.349 0.624 0 50 CCAA O=C(O)Cc1cccc(-c2nc3n(n2)COCCO3)c1 1875244414 JGKVRWGEHZKEKO-UHFFFAOYSA-N 275.264 0.939 0 50 CCAA CC[C@H]1C(=O)NCCN1C(=O)C[C@H](N)c1ccccc1 110689889 VJGKVUAWEFSNPR-STQMWFEESA-N 275.352 0.814 0 50 CCAA Cc1cc(C[C@@H]2CN(c3ncnc4[nH]cnc34)C[C@H]2O)n[nH]1 1704297554 BNQCKESJVJKINT-MWLCHTKSSA-N 299.338 0.424 0 50 CCAA Cc1ncnc(N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)c1C 1704329366 UEDYVGSRRSYBTM-BETUJISGSA-N 277.280 0.459 0 50 CCAA CN(CCN1CCOCC1)C[C@@H]1CCC(=O)N(C)C1 1775982977 FTIAEEBDFGEFIW-ZDUSSCGKSA-N 269.389 0.119 0 50 CCAA CCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 5147978 LCVIFIJHIRJLRM-QMMMGPOBSA-N 290.327 0.211 0 50 CCAA Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)CC(=O)N2 16994518 BZDYQNRDSNGIBV-MRVPVSSYSA-N 274.255 0.965 0 50 CCAA CS(=O)(=O)c1ccccc1C1(O)CCNCC1 169794998 IROKVSQBQPNNGE-UHFFFAOYSA-N 255.339 0.661 0 50 CCAA O=C(O)/C=C/C(=O)N1CCN(C(=O)c2ccco2)CC1 500628 NRFIYNXBQDCANE-ONEGZZNKSA-N 278.264 0.205 0 50 CCAA O=C(NC1CCS(=O)(=O)CC1)[C@@H]1CCn2nccc2C1 1857733603 QMYGXANOPAOPRE-SNVBAGLBSA-N 297.380 0.139 0 50 CCAA N[C@H]1CC[C@H](C(=O)NCc2ccsc2)C[C@@H]1O 1857739634 YDYUYYPZKOYPCT-DCAQKATOSA-N 254.355 0.853 0 50 CCAA CCC[C@]1(CO)CCN(Cc2cccn(C)c2=O)C[C@@H]1O 1875243383 FHRFMVXWYNYTOH-GOEBONIOSA-N 294.395 0.731 0 50 CCAA N=c1[nH]c(-c2cccc(CC(=O)O)c2)cc(=NCCO)[nH]1 1875249995 QDGGIOOZYASTES-UHFFFAOYSA-N 288.307 0.009 0 50 CCAA CCC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 663015213 KQQPDHSNEOGUGM-LBPRGKRZSA-N 291.399 0.935 0 50 CCAA NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccncc1F 682612408 WGTITWGBWBWQFV-LNLATYFQSA-N 277.299 0.947 0 50 CCAA COc1ccccc1-c1noc(Cn2ncn(C)c2=O)n1 153891479 VVRYCBRVXJYOEW-UHFFFAOYSA-N 287.279 0.689 0 50 CCAA Cn1c(CO)nc2cc(C(=O)N3CC=C[C@H]3CO)ccc21 1120774499 RAYSIJSLPVCPAB-NSHDSACASA-N 287.319 0.439 0 50 CCAA NC(=O)[C@@](O)(CN1CCO[C@@H](C2CC2)C1)c1ccccc1 851950892 AKTUBWBSSMXECM-GDBMZVCRSA-N 290.363 0.470 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)O 1857783309 AQQXONIFJQMESP-IUCAKERBSA-N 286.328 0.881 0 50 CCAA N[C@@H]1CCCCCN(C(=O)C(=O)N2CC3CC2C3)C1 1875285955 ICXUECJYXQMLFQ-MOENNCHZSA-N 265.357 0.337 0 50 CCAA CCn1nnc(=NC(=O)[C@H](OC)c2cc(F)cc(F)c2)[nH]1 1875276111 QAOZMOCWQFFUNV-SNVBAGLBSA-N 297.265 0.719 0 50 CCAA O=C(N[C@@H]1CCOCC[C@H]1C(=O)O)[C@H]1C[C@@H]2CC[C@H](C1)O2 1875311388 XJHZDIGBPBEYGB-UJPOAAIJSA-N 297.351 0.940 0 50 CCAA CN(C)c1c[nH]ccc1=NC(=O)N1C[C@@H](N)C2(CCC2)C1 1775962446 LCWLRGKLBNKHNK-CYBMUJFWSA-N 289.383 0.915 0 50 CCAA CCn1nccc1CN1CCC[C@@](O)(c2cnn[nH]2)C1 1775958879 OWNAZGSXJSRLBP-ZDUSSCGKSA-N 276.344 0.505 0 50 CCAA O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccc(F)c(F)c1 625599071 WEXNCXYDJDOKNT-QWRGUYRKSA-N 293.291 0.393 0 50 CCAA CN(CC(=O)NCc1cccs1)Cc1ncon1 670439377 DJERNLSGROHLLK-UHFFFAOYSA-N 266.326 0.879 0 50 CCAA O=C(O)[C@]12C[C@H]1CCCN2C(=O)[C@H]1C[C@H](n2ccnn2)C1 2325772238 DCDXKMNXZGXIME-BIAAXOCRSA-N 290.323 0.695 0 50 CCAA N[C@H]1CC12CC(NC(=O)c1ccc3c(c1)CCNC3=O)C2 2325774941 JKHJHYNRPLZILH-ULKWEWGCSA-N 285.347 0.582 0 50 CCAA O=C(c1cnsc1)N1CC[C@@H](c2nc(=O)o[nH]2)C1 2325810607 UGYSEVBVEGFCKO-ZCFIWIBFSA-N 266.282 0.449 0 50 CCAA CCC(=O)NC1CCN(C(=O)c2nc(C)no2)CC1 2325864989 ICAKXOYDUXTRDM-UHFFFAOYSA-N 266.301 0.509 0 50 CCAA CN(C)S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 30549 NRSARHLFSWDPBE-UHFFFAOYSA-N 287.360 0.754 0 50 CCAA O=C(NC(=S)N[C@@H]1CCSC1=O)c1ccco1 83872 HMYADISTWYIYBT-ZCFIWIBFSA-N 270.335 0.916 0 50 CCAA Nc1cc(N)nc(SCC(=O)Nc2ncccn2)n1 2769120 CAOYNGRNPWJVSN-UHFFFAOYSA-N 277.313 0.162 0 50 CCAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1CCCC1 244724025 MMFNJSOCHQDBHI-WUHRBBMRSA-N 260.337 0.889 0 50 CCAA C[C@@H]1CCCCN1C(=O)COC(=O)CCCCC(N)=O 225841088 PNQMVXRTQBGKID-LLVKDONJSA-N 284.356 0.976 0 50 CCAA O=S(=O)(NCC[C@@H]1CCCCN1)N1CCCC1 20255707 XWERCDFEUBONHO-NSHDSACASA-N 261.391 0.449 0 50 CCAA COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 135528510 LDOUHSZUDVXTHM-YFKTTZPYSA-N 265.309 0.599 0 50 CCAA CCn1cc(CN(CCO)C(=O)c2cnnn2CC)cn1 352327922 FGBASQFCHIIMHL-UHFFFAOYSA-N 292.343 0.149 0 50 CCAA Cc1cccn2cc(C(=O)N[C@H]3C=CS(=O)(=O)C3)nc12 67654495 SPMKVQASINUALW-JTQLQIEISA-N 291.332 0.683 0 50 CCAA CNS(=O)(=O)c1cc(OCC(N)=O)c(C)cc1Cl 386190 YDEDTXVIZVBCFY-UHFFFAOYSA-N 292.744 0.421 0 50 CCAA O=C(CN1CCOC1=O)NC[C@@H]1COc2ccccc2O1 215900187 LXWADBOORIRBAP-SNVBAGLBSA-N 292.291 0.395 0 50 CCAA Cn1cncc1C(=O)N1CCOC[C@H]1[C@H]1CCCC1=O 330173213 HDSNZOZGJJXQBC-PWSUYJOCSA-N 277.324 0.630 0 50 CCAA Cc1nc2cc(C(=O)N[C@H]3CCC(=O)NC3=O)ccc2o1 281563068 LWSHYSTXASCIHF-VIFPVBQESA-N 287.275 0.671 0 50 CCAA CN(CC(=O)N[C@@H]1CC[C@@H](N)C1)Cc1ccncc1 71735946 ZHLGCAUBQDOXMS-CHWSQXEVSA-N 262.357 0.509 0 50 CCAA O=C(N[C@H]1CN(c2ccccc2)C1=O)c1ncccc1O 375892721 VSDXARXCVUJYKS-NSHDSACASA-N 283.287 0.932 0 50 CCAA C[C@@H]1CC[S@](=O)CCN1CC(=O)NC[C@H]1CCCO1 375929000 BORHFYWCTORLOG-CLUVUEOHSA-N 288.413 0.125 0 50 CCAA O=C([C@@H]1CCc2ccccc21)N1CCS(=O)(=O)CC1 215798055 LOIOZFUILQHPPN-CYBMUJFWSA-N 279.361 0.973 0 50 CCAA CN1CCN(S(=O)(=O)c2ccc3c(c2)CCN3)CC1 34758334 NFVAJWLKUSHQLS-UHFFFAOYSA-N 281.381 0.591 0 50 CCAA CNCCC(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 262219423 OXUXTMJTEZOVPD-UHFFFAOYSA-N 290.367 0.934 0 50 CCAA COc1cccc(O[C@H](C)CNC(=O)[C@H]2C[C@@H](O)CN2)c1 237295272 PVFBZBOGHWEJIF-JTNHKYCSSA-N 294.351 0.302 0 50 CCAA CN1C[C@H](CNC(=O)Cc2ccsc2)OCC1=O 216339660 ZIHOLNVCIGPQAZ-JTQLQIEISA-N 268.338 0.264 0 50 CCAA COc1nccc(NC(=O)N[C@H]2CCCCNC2=O)n1 282547904 CHXDWVHWHUJSKA-QMMMGPOBSA-N 279.300 0.275 0 50 CCAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)[C@@H](C)O)C2 71736393 XSIRJMYULARWMA-SNVBAGLBSA-N 290.367 0.651 0 50 CCAA O=C([C@H]1CCCN(C2CCNCC2)C1)N1CCOCC1 82091717 FEHWPSFTLALCEZ-ZDUSSCGKSA-N 281.400 0.309 0 50 CCAA CCC[C@@H]1CN(Cc2cc(=O)[nH]c(O)n2)C[C@H]1NC(C)=O 82146904 KHCXYBMTMFZYFV-ZYHUDNBSSA-N 294.355 0.212 0 50 CCAA O=C(c1cnc[nH]1)N1CCCO[C@H](Cn2cccn2)C1 221393594 JRAYTELMKWWPNZ-NSHDSACASA-N 275.312 0.538 0 50 CCAA CC[C@@H](NC(=O)C(=O)c1cccnc1)[C@H]1C[C@H](O)C1 223183045 YKPNPFGSVXJKHA-GRYCIOLGSA-N 262.309 0.930 0 50 CCAA C[C@H](NC(=O)c1cccc(CN(C)C)c1)c1nc(N)n[nH]1 426514897 RGWLKPPLAVGFPI-VIFPVBQESA-N 288.355 0.940 0 50 CCAA CCN(C[C@H]1CCCCO1)C(=O)c1cncc(=O)[nH]1 426666953 GQOOZFGMPODXNB-SNVBAGLBSA-N 265.313 0.801 0 50 CCAA CC[C@H](NC(=O)CN(C)C(N)=O)c1cccc(C)n1 426443397 OVKGVKJOPPRXMI-JTQLQIEISA-N 264.329 0.968 0 50 CCAA Cc1nc(CC(=O)N[C@H]2CCc3[nH]c(=N)sc3C2)n[nH]1 614648913 IXSKKWSTYJQFSJ-ZETCQYMHSA-N 292.368 0.198 0 50 CCAA CN1CCC(O)(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC1 97602471 FVWCPUDAKDAWPS-GFCCVEGCSA-N 292.383 0.572 0 50 CCAA Cc1ncc(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c(=O)[nH]1 91503913 XPGZHTNTOHQGHY-WDEREUQCSA-N 291.307 0.261 0 50 CCAA CN(C)C(=O)c1cccc(N2CC[C@](C)(O)[C@@H](O)C2)n1 96130699 LRPFXTRSCJURAP-FZMZJTMJSA-N 279.340 0.105 0 50 CCAA COCCCn1cnnc1CNc1nc(N)nc(C)c1C 91390708 XXYFTOABWCMKAF-UHFFFAOYSA-N 291.359 0.916 0 50 CCAA CN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CCNC1 179111170 IVDDUKNONNUTPU-BDAKNGLRSA-N 293.289 0.218 0 50 CCAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1C[C@@H](O)CN1 299747647 DNYVRGGUJOVKDM-NDBYEHHHSA-N 270.373 0.421 0 50 CCAA Cn1ccnc1CN(CCn1cc[nH]c1=O)C1CC1 244715964 LFVVZTRVNCFPAH-UHFFFAOYSA-N 261.329 0.575 0 50 CCAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cc[nH]n1 604404992 NTQAKXPVHIYEIX-JTQLQIEISA-N 299.290 0.489 0 50 CCAA biogenic O=C(N[C@H]1COC[C@@H]1N1CCCC1)C1CCOCC1 534632387 PYSZZXIEKKCJNJ-STQMWFEESA-N 268.357 0.392 0 50 CCAA CN1CCCC[C@@H]1CC(=O)NCCN1CCC(CO)CC1 534590946 RVKKXLVTJRACJE-OAHLLOKOSA-N 297.443 0.681 0 50 CCAA C[C@@H](O)[C@H](N)C(=O)NCc1ccc(CN2CCCC2)cc1 299756440 FDAGVBGRBAXLSO-DOMZBBRYSA-N 291.395 0.607 0 50 CCAA CN1CCN(C)[C@@H](CC(=O)NCCCc2ccco2)C1 299756974 FNXKOBQBXGYZSP-ZDUSSCGKSA-N 279.384 0.964 0 50 CCAA CCCN1C[C@H](NC(=O)Nc2cccnc2O)CC1=O 299787243 UDIIKVXXZLRHEN-SECBINFHSA-N 278.312 0.920 0 50 CCAA Cc1nn(CC(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1Cl 299758846 QWAPWFRLOBSMIE-VIFPVBQESA-N 298.730 0.508 0 50 CCAA O=C(NCc1nncn1C1CCCCC1)[C@H]1C=CCN1 827690916 CXQGARRVEJGXCI-GFCCVEGCSA-N 275.356 0.928 0 50 CCAA O=C(c1ccc(O)cc1F)N1C[C@H](O)[C@@H](N2CCCC2)C1 584884256 JYPSPWVAVUHVSV-KBPBESRZSA-N 294.326 0.812 0 50 CCAA Cc1c[nH]c(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCC2)n1 1074643782 DBHZMDYECXPHEN-RNJOBUHISA-N 290.367 0.700 0 50 CCAA C[C@H](Cn1cncn1)C(=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 952991179 POFRIDPLGWGJNV-LBELIVKGSA-N 275.356 0.123 0 50 CCAA CN1C(=O)NCC12CN(C(=O)c1ncc(F)cc1F)C2 1857680886 XKCYSXQTAAHWJC-UHFFFAOYSA-N 282.250 0.209 0 50 CCAA CN1[C@H]2CC[C@@H]1CCN(S(=O)(=O)c1cccnc1)C2 71261675 DISLKPIWNXFPFL-NEPJUHHUSA-N 281.381 0.939 0 50 CCAA COc1c(F)cccc1C(=O)NC[C@H]1CCNC[C@@H]1O 1565509605 UONYKAHKKHLKKT-SKDRFNHKSA-N 282.315 0.535 0 50 CCAA CCn1cc(CN2CC[C@](O)(Cn3ccnn3)C2)cn1 671492085 AGVSWFYCWNIOTK-CYBMUJFWSA-N 276.344 0.132 0 50 CCAA C=CC(=O)N1CCCC[C@@H]1CCn1cc(C(=O)O)nn1 1615056038 SWDNTZOIXBROLG-SNVBAGLBSA-N 278.312 0.934 0 50 CCAA CCn1cc(CC(=O)N[C@]23CCC[C@H]2NCC3)nn1 1615547786 QATHNRBYWGAEAC-YPMHNXCESA-N 263.345 0.241 0 50 CCAA O=C(NCCNC1CCCCCC1)[C@H]1COCCO1 211597902 KOIQMYDEZKWIGC-CYBMUJFWSA-N 270.373 0.830 0 50 CCAA CCN(C[C@@H]1CCCCO1)C(=O)CCCS(N)(=O)=O 1506419442 CBWQHHNQHMQOIM-NSHDSACASA-N 292.401 0.473 0 50 CCAA Cn1nc(-c2cccc(CC(=O)O)c2)nc1C(N)=O 1875240315 QQIUDKABGOPFLQ-UHFFFAOYSA-N 260.253 0.208 0 50 CCAA CNC(=O)C[C@H]1CCN(c2ncccc2C(=O)NC)C1 1704335269 BYKQZHLPTAQNGB-SNVBAGLBSA-N 276.340 0.404 0 50 CCAA CN(C)C/C=C/C(=O)NC1CC(Cn2ccnn2)C1 1875376607 CXWRXMTUPBVMOB-ONEGZZNKSA-N 263.345 0.291 0 50 CCAA CCOC(=O)N1CCN(C[C@@H](O)COC(C)(C)C)CC1 20707188 YVFDPUYRWQOXNZ-GFCCVEGCSA-N 288.388 0.937 0 50 CCAA Cc1nc(-c2nccn2C[C@@]2(O)CCNC2)n(C)c1C 1857732314 LMBUZUSYZNXGRV-CQSZACIVSA-N 275.356 0.625 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)Cc1cnn2ccccc12 647733445 CATZXWYAGPCPEQ-GFCCVEGCSA-N 289.291 0.189 0 50 CCAA C[C@H](O)CONC(=O)[C@@H]1C[C@H](O)c2ccccc2O1 1875295724 OXBILRSJRZVIIH-PEXQALLHSA-N 267.281 0.300 0 50 CCAA O=C(c1cccc(F)c1O)N1CC[C@@H](Cc2nn[nH]n2)C1 1875286082 LRRAYYWIYVLYCM-QMMMGPOBSA-N 291.286 0.749 0 50 CCAA CCOc1cccc(NS(=O)(=O)c2cnn(CC)n2)n1 1875291354 WIYMXIAQUWZYGV-UHFFFAOYSA-N 297.340 0.893 0 50 CCAA O=[S@](Cc1ccc2cccnc2c1)C[C@H](O)CO 1875279251 JTGDPASPHJOZEY-KZULUSFZSA-N 265.334 0.837 0 50 CCAA CCc1nc([C@@H]2COC[C@@H]2N=c2ccn3nccc3[nH]2)n[nH]1 1875398735 CKPCVMHYEOKOPG-ZJUUUORDSA-N 299.338 0.426 0 50 CCAA C[S@](=O)CC[C@H](O)C(=O)Nc1ccc2c(c1)OCC2 1875321492 KJARBIADPMNMGQ-WLRWDXFRSA-N 283.349 0.690 0 50 CCAA CNC(=O)C1(NC(=O)c2ccc(-n3cccn3)cc2)CC1 1875302116 AMJINBQBEUAMKU-UHFFFAOYSA-N 284.319 0.881 0 50 CCAA COc1nn(C)cc1C(=O)Nc1cn(CC2CC2)nn1 1875308099 YPGQGKIVEMJLBA-UHFFFAOYSA-N 276.300 0.683 0 50 CCAA COc1ccccc1C(=O)N[C@@H]1CCO[C@@H]1C(=O)O 659170027 OZIZBCXUYJLSJO-KOLCDFICSA-N 265.265 0.667 0 50 CCAA Cn1nccc1[C@H](NC(=O)CC[C@H]1CCOC1)C(=O)O 402530100 PLNKDSPBAQPADW-CABZTGNLSA-N 281.312 0.479 0 50 CCAA CCCc1nc(CN2C[C@H](C)CS2(=O)=O)no1 332620768 GFNLGSVWQJBPPI-QMMMGPOBSA-N 259.331 0.804 0 50 CCAA COC(=O)[C@@H]1C(=O)N(C(C)=O)C[C@@H]1c1ccccc1 210416 ICMXWPXCOAOFCK-NEPJUHHUSA-N 261.277 0.948 0 50 CCAA COCC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 318496 SABRAUZUTHFMHN-UHFFFAOYSA-N 286.309 0.096 0 50 CCAA C[C@@H](CCc1ccccc1)NC(=O)C(=O)NCCO 3017416 BIAPIOFMRYJXBZ-NSHDSACASA-N 264.325 0.232 0 50 CCAA O=C(NCC1CCNCC1)C(=O)NC1CCCCC1 4893312 JJSCJWGDQZXWOZ-UHFFFAOYSA-N 267.373 0.551 0 50 CCAA CN(CC(=N)O)C[C@@H]1CN(CC2CCOCC2)CCO1 328630518 JKQZURGVGOAFTA-CYBMUJFWSA-N 285.388 0.581 0 50 CCAA Cc1cnc(NCCN2CCOCC2)nc1N(C)C 65388225 SDHFUHXOKHOLDG-UHFFFAOYSA-N 265.361 0.595 0 50 CCAA COc1cc(NCCN2CCCC[C@@H]2CO)ncn1 65496433 YZDKMYLRJFLAMQ-LLVKDONJSA-N 266.345 0.744 0 50 CCAA COCCCNC(=O)CN1CCC[C@@H]1[C@@H](O)C(F)(F)F 229639623 QWSYGSRHQHSUCU-MWLCHTKSSA-N 298.305 0.527 0 50 CCAA O[C@]1(CNCCc2cnn(-c3ccccc3)c2)CCNC1 77392718 WANSZEFIQNMVIQ-INIZCTEOSA-N 286.379 0.729 0 50 CCAA O=C(COc1ccccc1)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 71749763 PHHHVXIULVJNMY-NEBZKDRISA-N 291.347 0.656 0 50 CCAA Cc1nc(N2C[C@H](CO)OC[C@@H]2C)ccc1C(=O)O 124331789 RFQNNENRUQSIQG-WCBMZHEXSA-N 266.297 0.674 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2scc3c2OCCO3)CCO1 72430404 OVPDAJMLKNCOCH-ZETCQYMHSA-N 299.304 0.445 0 50 CCAA CNCC(=O)N1CCCN(c2cncc(F)c2)CC1 370716450 MAYOFJJXKYWLBV-UHFFFAOYSA-N 266.320 0.479 0 50 CCAA O=C(C[C@H]1CNCCO1)N1CCNC[C@@H]1c1ccccc1 333617801 RHAYNBGRCRJDML-LSDHHAIUSA-N 289.379 0.538 0 50 CCAA Cn1c(N2CC[C@](O)(c3c[nH]nn3)C2)nc2ccccc21 284704729 YZGPQXPMOZQZMC-CQSZACIVSA-N 284.323 0.789 0 50 CCAA Cc1nc(CN2CCN(C(=O)[C@@H]3CCNC3)CC2)oc1C 237729809 GJOHMXFKRANXEH-CYBMUJFWSA-N 292.383 0.545 0 50 CCAA CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cnn(C)c2)C1 240278278 DPYXYMCYPKPBLH-RDBSUJKOSA-N 290.367 0.651 0 50 CCAA CC(C)[C@](C)(O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 337688650 KPTLXOSKBXQXPP-HOCLYGCPSA-N 298.427 0.964 0 50 CCAA CCCNC(=O)C1CCN(c2nccn(C)c2=O)CC1 608079255 WLFLUHQZNHCLTR-UHFFFAOYSA-N 278.356 0.523 0 50 CCAA CCCc1cc(C(=O)N2CC(N3CCOCC3)C2)n(C)n1 82134128 LGZNJHMTHHRDOR-UHFFFAOYSA-N 292.383 0.529 0 50 CCAA NC(=O)C1CCN(c2nc(N)c3ccccc3n2)CC1 41146399 NOLJXWSWQMFAHO-UHFFFAOYSA-N 271.324 0.914 0 50 CCAA CCOC(=O)[C@@]1(NC(C)=O)Cc2ccccc2NC1=O 143894702 HQKXRBPZRHVZQH-CQSZACIVSA-N 276.292 0.619 0 50 CCAA O=C(CN1CCCCC1=O)NC[C@H](CO)Cc1ccco1 97655511 WZVWIZBDRVPAOU-GFCCVEGCSA-N 294.351 0.559 0 50 CCAA CC(C)(C)OC(=O)N1CCOC[C@]2(CNC(=O)C2)C1 97758888 HHBOIOAOXQTURG-CYBMUJFWSA-N 270.329 0.760 0 50 CCAA in-vitro Cc1nnc(CN(C)C(=O)CN2CCCCC2=O)o1 95516418 KVTJINFRCXUVLM-UHFFFAOYSA-N 266.301 0.349 0 50 CCAA CCN1C[C@H](C(=O)NCCn2cc(Cl)cn2)CC1=O 95366746 OGRJPIPQXWEFFK-SECBINFHSA-N 284.747 0.521 0 50 CCAA CNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 238924273 RNUIAKBDLYUVCR-LADJIXMOSA-N 262.309 0.318 0 50 CCAA C[C@@H](N)C(=O)N(C)Cc1cccc(-c2nnn[nH]2)c1 95135709 XILKDUZQCARQRV-MRVPVSSYSA-N 260.301 0.172 0 50 CCAA CNC(=O)[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCO1 180365096 CDLRLYPZZPMARV-ZDUSSCGKSA-N 291.351 0.340 0 50 CCAA COC(=O)c1ccc(C(=O)NCC[C@@H](C)[S@](C)=O)[nH]1 343102567 WSYPWWWIKQBRPM-YLVJLNSGSA-N 286.353 0.688 0 50 CCAA Cc1cc(C)nc(Nc2nnc(CN3CCNCC3)[nH]2)n1 252496671 POGKKDDQTGTVEJ-UHFFFAOYSA-N 288.359 0.360 0 50 CCAA C[C@@H]1CC[C@@H](CCC(=O)N2CCOC[C@@H]2C(=O)O)O1 299753266 XNYGHQIEDDPLFG-OUAUKWLOSA-N 271.313 0.646 0 50 CCAA Cc1ccc(C(=O)O)cc1CNC(=O)CN1CCNCC1 534589134 SIZRCHFFLFNQMX-UHFFFAOYSA-N 291.351 0.215 0 50 CCAA CN(Cc1cnc2ccccc2n1)C(=O)[C@@H]1CNCCO1 534587319 FKRHRUFFAKKIFX-AWEZNQCLSA-N 286.335 0.577 0 50 CCAA Cc1ccccc1OCCC(=O)NC[C@@H]1CCNC[C@H]1O 534585496 RGGYYIIIJMVXRF-UONOGXRCSA-N 292.379 0.851 0 50 CCAA O=C([C@@H]1C[C@@]12CCOC2)N1CCN(C2CC2)CC1 368121515 TUPMIKMMRPBCMJ-GXTWGEPZSA-N 250.342 0.720 0 50 CCAA O=C1CC[C@@H](NC(=O)c2ccc(O)nc2)[C@H](C2CC2)N1 375163578 YLSXCPNPZOQOCO-MFKMUULPSA-N 275.308 0.574 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2)CN1 299770211 NXKPLSUJKUAPBH-QWRGUYRKSA-N 266.272 0.459 0 50 CCAA OC[C@@H]1CN(Cc2nc(C(F)(F)F)no2)CC[C@@H]1O 1857718953 AATUCAFTYXLPEQ-BQBZGAKWSA-N 281.234 0.264 0 50 CCAA COCCn1cnnc1CN(C)C(=O)C[C@@H]1CCOC1 584885578 YEAAVGVFVZYNPO-NSHDSACASA-N 282.344 0.310 0 50 CCAA O=C1CCCN1CCc1ncnn1-c1ccncc1 670447724 XOXRWRODTWYHNJ-UHFFFAOYSA-N 257.297 0.827 0 50 CCAA CCc1nc(S(=O)(=O)Cc2nccc(C)n2)n[nH]1 1335750689 YYOKEDMJFJXLLL-UHFFFAOYSA-N 267.314 0.439 0 50 CCAA CC(=O)N(C)CC(=O)N1C[C@H](C(=O)O)c2ccccc21 131952262 NZZCPZPCXPYTKS-NSHDSACASA-N 276.292 0.680 0 50 CCAA Cn1cnn(CC(=O)NC[C@@H]2CCOC3(CCC3)C2)c1=O 1550806659 QZVCCMFFPYDRAI-LLVKDONJSA-N 294.355 0.047 0 50 CCAA O=C(CN1CC[C@H](O)[C@H](CO)C1)Nc1ccc(Cl)cn1 1434475539 ABDRAUNMSRCOJG-ONGXEEELSA-N 299.758 0.349 0 50 CCAA CCCn1cc(C(=O)NC[C@@H]2CNCCO2)c(C)n1 1122068309 PEHICCZWYRRSDE-NSHDSACASA-N 266.345 0.320 0 50 CCAA CNC(=O)[C@]1(C)CCN(C(=O)c2cnnc(C)c2)C1 408402936 JTFBTKIFAUKWLF-CYBMUJFWSA-N 262.313 0.383 0 50 CCAA Cc1n[nH]cc1CNC(=O)NC[C@@H]1CCc2nccn2C1 275299096 BLPVSKPJGIMCBA-NSHDSACASA-N 288.355 0.976 0 50 CCAA C[C@@H](C(=O)NC(N)=O)N1CCOc2ccccc2C1 170637320 DOUQWBLJTLNSOS-VIFPVBQESA-N 263.297 0.464 0 50 CCAA CNC(=O)[C@@H]1CCCCN1Cc1cccc(C(=O)O)n1 97137458 PCKJTRSERPYHCF-LBPRGKRZSA-N 277.324 0.880 0 50 CCAA CN1CCN(C(=O)CCNC(=O)c2ccccc2)CC1 20028314 MDZNQNGPMWUWGT-UHFFFAOYSA-N 275.352 0.581 0 50 CCAA CCN1CCN(C(=O)c2cccn2C)C[C@@]12CCOC2 1615588793 DQGDOSOKSSAKOC-OAHLLOKOSA-N 277.368 0.962 0 50 CCAA CC[C@]1(O)CCN(C(=O)CCc2c(C)noc2C)C[C@@H]1O 213412866 FJYWAUBBMMOFGW-ZFWWWQNUSA-N 296.367 0.958 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)C1 218277768 SUABWNIAZXVRRD-VHSXEESVSA-N 276.358 0.370 0 50 CCAA COC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(=O)O 230102141 JMYNKCKMKVFTKG-SNVBAGLBSA-N 298.320 0.245 0 50 CCAA O=C(O)[C@@H]1COCCN(C(=O)c2n[nH]c3c2CCC3)C1 1772811660 WXXQYYFLHJLRLF-QMMMGPOBSA-N 279.296 0.072 0 50 CCAA N[C@@H]1C[C@@H](C(=O)NCCc2cccnc2)CC[C@H]1O 1857710750 NLFYXJVBJVEPDU-YNEHKIRRSA-N 263.341 0.229 0 50 CCAA O=C(O)CCC(=O)NCc1ccc(C(=O)O)cc1 190089 UXPYVXQKXHHPSL-UHFFFAOYSA-N 251.238 0.866 0 50 CCAA Cn1cc(CC(=O)N[C@@H](Cc2ccncc2)C(=O)O)cn1 655600423 FYSHKVHDEAHAFI-LBPRGKRZSA-N 288.307 0.170 0 50 CCAA CC[C@@H]1CN(C)CCN1C(=O)COc1c(C)nn(C)c1C 561614697 IDZMKPKLWDKNNE-CYBMUJFWSA-N 294.399 0.968 0 50 CCAA O[C@@]1(Cn2ccnn2)CCN(c2ncccc2F)C1 671466300 JZDWQCGFVBEVMD-LBPRGKRZSA-N 263.276 0.454 0 50 CCAA C[C@@H](C(=O)N[C@H]1CCCCN(CC(=O)O)C1=O)C1CC1 902435791 FPCQGECKEFWRHQ-KOLCDFICSA-N 282.340 0.614 0 50 CCAA CCn1ncc(Cl)c1C(=O)N=c1nn[nH]n1C1CC1 905846217 VAOKDEDYUFLJDE-UHFFFAOYSA-N 281.707 0.552 0 50 CCAA C[C@@H]1CN(C(=O)C2CN(C)CCN(C)C2)CC(C)(C)O1 906421824 VHGVYPJDBGVRNV-GFCCVEGCSA-N 283.416 0.506 0 50 CCAA CNC(=O)[C@]12CCOC[C@@H]1CN(c1ncc(F)cn1)C2 952852353 AGUXNMAIQORQHD-ZANVPECISA-N 280.303 0.205 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@H]1CCCc2c[nH]nc21 1875259429 NWFSMTMPIGCJGX-UWVGGRQHSA-N 251.286 0.666 0 50 CCAA CC(C)[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCOCCN1 1875267868 IRMMYYWQJPMGFO-QWHCGFSZSA-N 286.372 0.570 0 50 CCAA CC(=O)N1CCC2(CC1)C[C@@H]2CN1CCN(C)CC1 1875321763 URWUXWIEWHQAJL-CQSZACIVSA-N 265.401 0.882 0 50 CCAA CC(=O)N[C@H]1C[C@@H](Nc2ncnc3c2ncn3C)C1 1059542268 HNSTXZQDEGBYLK-DTORHVGOSA-N 260.301 0.442 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)CCOCC(F)(F)F 393523587 VYHBQMWEBYMZAK-SFYZADRCSA-N 282.262 0.739 0 50 CCAA Cn1nnc([C@H]2CN(c3ncnc4[nH]ccc34)CCO2)n1 2356144491 ALCIWAGLQPZQCB-SECBINFHSA-N 286.299 0.059 0 50 CCAA CN1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 100571157 CPCPOWFFVADGEB-ZDUSSCGKSA-N 291.326 0.705 0 50 CCAA CN1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 100364616 KZMQDWLWACQZOR-CYBMUJFWSA-N 273.336 0.566 0 50 CCAA C[C@@H](c1ccccn1)N(C)C(=O)CCn1cnnn1 67867732 OPLBWWIIPQREQI-JTQLQIEISA-N 260.301 0.678 0 50 CCAA NCc1cccc(NC(=O)CCN2CCOCC2)c1 22153323 HLSBQKZCGILRMR-UHFFFAOYSA-N 263.341 0.806 0 50 CCAA O=C(O)[C@H]1CC(=O)N(CCCNc2cccnc2)C1 65394247 TWBWECMUMXDCFA-JTQLQIEISA-N 263.297 0.817 0 50 CCAA CCn1nncc1C(=O)NC[C@@H]1CCc2nccn2C1 347837966 CZUUUCLIHYXFMZ-JTQLQIEISA-N 274.328 0.487 0 50 CCAA OC[C@@H](O)CN(CCCn1ccnc1)Cc1ccncc1 63870929 DWQVZDGMLQVRDO-HNNXBMFYSA-N 290.367 0.524 0 50 CCAA c1nc(N2CCOCC2)ncc1CN1CC[C@H]2CNC[C@H]21 77455459 NWRSYZLPIKOJCX-UONOGXRCSA-N 289.383 0.107 0 50 CCAA CN1CCO[C@@H](C(=O)NCc2cccc(N(C)C)n2)C1 152244823 FZWDECGEPOYMRK-GFCCVEGCSA-N 278.356 0.094 0 50 CCAA CCCNC(=O)[C@H]1CCCN(Cc2nnc(C)n2C)C1 125193023 ARGSJUOLZJTPFE-LBPRGKRZSA-N 279.388 0.862 0 50 CCAA CC(=O)Nc1cccc(N2C(=O)N[C@@H](CC(=O)O)C2=O)c1 216630864 DYTTYLCPOPFJKJ-JTQLQIEISA-N 291.263 0.545 0 50 CCAA COCc1nc(NCc2n[nH]c(C)n2)c2cnn(C)c2n1 72154190 SEWBGYBFJJJJLC-UHFFFAOYSA-N 288.315 0.548 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(CO)c(F)c1 261875708 DPXFYLHLIJVRPZ-RNCFNFMXSA-N 282.315 0.311 0 50 CCAA Cc1cc(=O)n2nc(N3CCN4CCC[C@H]4C3)sc2n1 239667360 BPSVYIONWQNISI-JTQLQIEISA-N 291.380 0.744 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1cncc(O)c1 128234858 NAJACUFKJCUEGO-SECBINFHSA-N 266.253 0.103 0 50 CCAA COC[C@@H](N)C(=O)N1CCNC[C@H]1c1cccc(Cl)c1 262442877 VBADYFSSPSSPJR-OLZOCXBDSA-N 297.786 0.787 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2CNCCO2)[C@@H](c2ccccc2)CO1 237608357 HPNMHUNNXMMLIU-YUELXQCFSA-N 290.363 0.963 0 50 CCAA O=C(c1nc(=O)[nH][nH]1)N(Cc1cccnc1)Cc1ccco1 129402460 QNSBQSRQLFARQV-UHFFFAOYSA-N 299.290 0.929 0 50 CCAA CCc1cc(CCCN2CCOC[C@@H]2C(N)=O)on1 240757042 HVYMXVFYEBUQLG-GFCCVEGCSA-N 267.329 0.356 0 50 CCAA Cc1nnc(N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)o1 284849939 LOMQRVZAQDUJHX-LDYMZIIASA-N 276.300 0.495 0 50 CCAA C[C@@H](CN1CCCC1=O)N=c1ccnc(N(C)C)[nH]1 607143754 IAEFOEXNZVCWFP-JTQLQIEISA-N 263.345 0.387 0 50 CCAA Cc1cnccc1CNC(=O)N1CCC[C@@](O)(CO)CC1 426530331 AIKHYCRYPZJLKR-HNNXBMFYSA-N 293.367 0.809 0 50 CCAA CCOC(=O)[C@]1(NC(C)=O)Cc2ccccc2NC1=O 143894487 HQKXRBPZRHVZQH-AWEZNQCLSA-N 276.292 0.619 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)C(C)(F)F 818520244 ULHDRHVOVWYQRW-LLVKDONJSA-N 264.272 0.395 0 50 CCAA Cc1cc(CNC(=O)CCCN2CCCC2=O)n(C)n1 97641888 AXUKHLMLDFQQRO-UHFFFAOYSA-N 278.356 0.747 0 50 CCAA N[C@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1C1CC1 91915433 XLADPVWXGUMLGG-NEPJUHHUSA-N 261.325 0.044 0 50 CCAA Cc1nnc(CN(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)o1 91877118 DHRPOHHVIWMNHM-JTQLQIEISA-N 294.355 0.983 0 50 CCAA CCN(CC)S(=O)(=O)N[C@H](C)c1nc(C)no1 330447082 XZOVMVFSGHIHCB-SSDOTTSWSA-N 262.335 0.615 0 50 CCAA O=C(c1cnc2[nH]nnc2c1)N1CCC[C@@H](CCO)CC1 622731202 IYRSNNBNDMTTKE-SNVBAGLBSA-N 289.339 0.978 0 50 CCAA CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCO)C1 263623466 HSGKQKOQAGZFSJ-SECBINFHSA-N 279.358 0.403 0 50 CCAA C[C@H](CCC(=O)NCc1nnc(N)s1)N1CCOCC1 534654454 YKQAEBJZSDSIGR-SECBINFHSA-N 299.400 0.237 0 50 CCAA C[C@H]1CN(C(=O)CN2C[C@@H]3CC[C@H]2CNC3)C[C@@H](C)O1 534674518 SRVFKCWHQHDYDI-RQJABVFESA-N 281.400 0.306 0 50 CCAA O=S(=O)(N[C@H]1COC[C@@H]1N1CCCC1)c1cccnc1 534655973 IOWOIAMKXAMUOI-STQMWFEESA-N 297.380 0.223 0 50 CCAA CNC(=O)c1cccnc1Sc1nnc(CN)n1C 534667315 XMKWVMZLFSAPHW-UHFFFAOYSA-N 278.341 0.180 0 50 CCAA CC(C)N(C)S(=O)(=O)NCCc1nc(C2CC2)no1 821724404 CRZCXMKPECNITD-UHFFFAOYSA-N 288.373 0.664 0 50 CCAA c1cncc(-n2ncnc2CCCn2cncn2)c1 829073481 ANXCQKZLNHQETN-UHFFFAOYSA-N 255.285 0.887 0 50 CCAA COCCN1CC[C@@H](CN(C)C(=O)CSC)C1 584888861 RGRHJBJNKHMFRG-NSHDSACASA-N 260.403 0.776 0 50 CCAA CCS(=O)(=O)NC[C@H](C)NCC(C)(C)N1CCCC1 584900087 ANMDQVLGDZEXHR-LBPRGKRZSA-N 291.461 0.778 0 50 CCAA COCC(C)(C)CNC(=O)CN(C)C1CCNCC1 584897333 QHHHKKNCYJVJPL-UHFFFAOYSA-N 271.405 0.459 0 50 CCAA CCN1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551494513 WQZHTEPDJDNMIP-HUUCEWRRSA-N 288.395 0.958 0 50 CCAA Nc1n[nH]c(CCNC(=O)c2cccc3nc[nH]c23)n1 1556902363 HDFNEGICJBVWOP-UHFFFAOYSA-N 271.284 0.236 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)CN2CCCCCC2=O)C1 630250847 UWQXBOFPBJKVAF-CQSZACIVSA-N 298.339 0.091 0 50 CCAA Cc1ccc(/C=C/C(=O)N2C[C@@H](O)C[C@H]2CO)cc1 170599607 LSXPOXOTSTTZEZ-AGKLADILSA-N 261.321 0.962 0 50 CCAA O=C(N[C@H]1[C@@H]2CNC[C@@H]21)c1ccnn1CC1CCC1 638247294 WZLAIJKGLRODLE-PJXYFTJBSA-N 260.341 0.631 0 50 CCAA COCCOc1cccc(C(=O)NCCN(C)OC)c1 584908733 XIVBQBPBJAWXIW-UHFFFAOYSA-N 282.340 0.935 0 50 CCAA Cc1cccc(C)c1-n1nnnc1Cn1cc(C(N)=O)nn1 746469733 VDUSUSYGPYWOMB-UHFFFAOYSA-N 298.310 0.018 0 50 CCAA O=C(O)[C@H](CO)NC(=O)[C@H]1COc2ccc(Cl)cc2C1 739370016 DPNIQFUHMHYBHB-SCZZXKLOSA-N 299.710 0.453 0 50 CCAA O=C(NCc1cc(C2CC2)no1)[C@]12CNC[C@H]1CCOC2 1615549412 VYMUJENWJKIFSV-ABAIWWIYSA-N 291.351 0.794 0 50 CCAA C[C@H]1CCCN(CC(=O)N[C@H]2C[C@@H](C(=O)O)C2)C1 1857672519 FXKZHGRJJIBQNL-GARJFASQSA-N 254.330 0.698 0 50 CCAA C[C@@H]1CC[C@H](CCC(=O)N(CCN(C)C)CC(=O)O)O1 237434326 CMPVSBJBQYHUIJ-VXGBXAGGSA-N 286.372 0.809 0 50 CCAA CO[C@@H]1CCNC[C@@H]1Nc1ncc(C)c(N(C)C)n1 1704327315 CGWSSMBTRDBNQU-WDEREUQCSA-N 265.361 0.640 0 50 CCAA O=S(=O)(NCc1[nH]nc2ncccc12)C1CCOCC1 1772811458 UHQIWEPSFHCMOC-UHFFFAOYSA-N 296.352 0.556 0 50 CCAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCOC(C)C 12442997 QEMNRLQSIDELSB-ZDUSSCGKSA-N 299.415 0.374 0 50 CCAA COc1cc([C@H]2NC(=S)NC(C)=C2C(N)=O)ccc1O 4171142 DOSCAKJNWNZFFD-LLVKDONJSA-N 293.348 0.679 0 50 CCAA NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccon1 19790664 ZTUAQCQHMYUDFN-NSHDSACASA-N 259.265 0.501 0 50 CCAA CCn1cc(C2=NO[C@H](C(=O)N3CCOCC3)C2)c(C)n1 6804921 CDOHXIZADUGDSQ-ZDUSSCGKSA-N 292.339 0.563 0 50 CCAA NC(=O)CC[C@@H](NC(=S)Nc1ccccc1)C(=O)O 2350672 NDFMICVERBILEW-SECBINFHSA-N 281.337 0.692 0 50 CCAA CN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCn2ccnc2C1 637380551 ZAAVOBFOOFDZCP-CHWSQXEVSA-N 291.399 0.839 0 50 CCAA COc1ccccc1OCCN(C)C(=O)[C@H]1C[C@@H](O)CN1 237145640 KLIQXTSNWAZXGR-VXGBXAGGSA-N 294.351 0.255 0 50 CCAA COC[C@H](O)CNC(=O)c1cnn(C(C)(C)C)c1 253392945 KZAQGAFDMRUQHQ-SNVBAGLBSA-N 255.318 0.375 0 50 CCAA O=c1[nH]c2ccc(S(=O)(=O)NC3CC3)cc2[nH]1 613507 JAMZLNZNVMOKOK-UHFFFAOYSA-N 253.283 0.297 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)C[C@@H]1CCCOC1 900624702 REYLQOMWELVTTM-LBPRGKRZSA-N 268.357 0.906 0 50 CCAA N[C@]1(CO)CCCN(Cc2c[nH]nc2-c2cccnc2)C1 904402205 VIFXXTXBOHFZTR-OAHLLOKOSA-N 287.367 0.757 0 50 CCAA CC(C)C[C@H]1NC(=O)[C@@H](C[C@@H]2CCCOC2)NC1=O 1875278776 DOPHIMHNOFDUKC-QJPTWQEYSA-N 268.357 0.832 0 50 CCAA O=C(N[C@]1(CO)CCSC1)[C@H]1CSCCS1 1875297766 CPMUZBZIHLIYBD-SCZZXKLOSA-N 279.452 0.819 0 50 CCAA CN(C)C(=O)[C@H]1COCCN1C(=O)c1ccncc1 1875290162 BOLVLYOANCZYPK-LLVKDONJSA-N 263.297 0.011 0 50 CCAA C[C@@H]1[C@H](O)CN1C(=O)CCc1nc(-c2ccoc2)no1 1875318382 IDYSVDAFAJFMJL-PSASIEDQSA-N 277.280 0.854 0 50 CCAA O=C(NCC[C@@H]1CCCCO1)C1=NOC2(CCNCC2)C1 888096617 MRJYLTGAXRVPLV-LBPRGKRZSA-N 295.383 0.960 0 50 CCAA COC(=O)c1ccc(N2C[C@H](C)C[C@@H](C(=O)O)C2)nn1 263203042 MQCSKDHQESOZMC-RKDXNWHRSA-N 279.296 0.810 0 50 CCAA NCCc1ccc(C(=O)NCCCc2nn[nH]n2)cc1 392516023 NBDXXKDCBGQRFU-UHFFFAOYSA-N 274.328 0.064 0 50 CCAA CCn1cc(NC(=O)N2CCOCC2)c(C(=O)O)n1 2325797815 VMXMNYBSGYYGKV-UHFFFAOYSA-N 268.273 0.465 0 50 CCAA C[C@@H](O)CONC(=O)[C@@]1(CN)C[C@@H]2CCC[C@@H]2C1 2325801849 YIBJMKDSWGYRAQ-HNCHTBHHSA-N 256.346 0.570 0 50 CCAA CN(CCc1nn[nH]n1)C(=O)c1ccn2ccsc12 2325806746 DQKIHHXMLOFBTK-UHFFFAOYSA-N 276.325 0.829 0 50 CCAA CN(C[C@@H]1CC1(F)F)C(=O)c1cn2c(n1)CC[C@H](N)C2 2325814010 BQTPABUYSKKFNH-IUCAKERBSA-N 284.310 0.884 0 50 CCAA CCOC(=O)CSCC[C@H]1N[C@H](C(=O)O)CS1 1846343 IKOCLISPVJZJEA-YUMQZZPRSA-N 279.383 0.789 0 50 CCAA in-man CCN1CCN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1c1ncc[nH]1 348792962 OERCTUXHCQCHTF-PWSUYJOCSA-N 293.371 0.140 0 50 CCAA CC(C)(C)CNC(=O)c1cn2c(n1)CCNCC2 1875247611 YJNYXVHJBXLDMH-UHFFFAOYSA-N 250.346 0.805 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCCN[C@H]1C 420417887 BVYFAIUXPOUDDW-WCBMZHEXSA-N 272.374 0.147 0 50 CCAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1nc[nH]n1 328613901 UQGDLKYLXSDSOM-BDAKNGLRSA-N 252.318 0.986 0 50 CCAA C[C@@H]1NCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H]1C 423591721 CNCYOIWSYGDGFB-VHSXEESVSA-N 297.380 0.156 0 50 CCAA CC1(C)[C@H](NC(=O)C2CCNCC2)[C@H]2CCO[C@H]21 230278162 SANVZPFOOPDGFW-IJLUTSLNSA-N 252.358 0.916 0 50 CCAA CCC(=O)Nc1nnc(S(=O)(=O)N(CC)CC)s1 72437871 QDXCUTCCBZHNMH-UHFFFAOYSA-N 292.386 0.917 0 50 CCAA O=C(NCCc1noc([C@H]2CCCO2)n1)c1ccnnc1 219737007 XDOMMMNJKHGJBO-SNVBAGLBSA-N 289.295 0.684 0 50 CCAA CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(O)CC1)CC2 359223177 HPWJKIXNHRHRBY-SNVBAGLBSA-N 293.371 0.322 0 50 CCAA CSCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O 32136549 HHWPNWJXRZDOJS-NEPJUHHUSA-N 278.377 0.965 0 50 CCAA Cn1nccc1CN[C@H]1CCN(c2ccccc2C(N)=O)C1 364317131 LPYIQKLCWUETLD-LBPRGKRZSA-N 299.378 0.888 0 50 CCAA C[C@@H](C[S@@](C)=O)NC(=O)N1CCN(CC(F)F)CC1 334036970 MHKPYUSDDWBEMC-ZRNGKTOUSA-N 297.371 0.346 0 50 CCAA Cc1c(N)ncn(CC(=O)N(C2CC2)[C@@H](C)C2CC2)c1=O 329592140 BXEXHYUPWLBNAY-JTQLQIEISA-N 290.367 0.923 0 50 CCAA CC(=O)c1ccc(C(=O)N[C@H](C)c2nc(=O)[nH][nH]2)s1 215516047 YVEWKGIXNBHVJI-RXMQYKEDSA-N 280.309 0.853 0 50 CCAA CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H](C2CC2)C1 334364233 MOXSHPPZCWKUGG-QWHCGFSZSA-N 266.341 0.492 0 50 CCAA O[C@@H](CN1CCOCC1)CN1CCC(c2cnc[nH]2)CC1 372169903 QAPSZKWBSZXDPJ-CQSZACIVSA-N 294.399 0.282 0 50 CCAA CCc1ccccc1OCC(=O)N1CCO[C@@H](C(=O)O)C1 262998667 PLFJBDCOXPXLSS-CYBMUJFWSA-N 293.319 0.940 0 50 CCAA CCCn1cc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c(C)n1 216995044 GVDVSFZOQPDOTR-AAEUAGOBSA-N 281.356 0.417 0 50 CCAA C[C@H]1CN(C(=O)Cc2cncnc2)CCN1CC(C)(C)O 283486969 QHCDLNFOEAGCKF-LBPRGKRZSA-N 292.383 0.323 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)n1 222538306 VLJAIEOGLQAZDU-UTLUCORTSA-N 250.302 0.067 0 50 CCAA COC(=O)c1cn([C@H]2CCN(CC3=CCCOC3)C2)nn1 242302121 YPQOTVUPTKUARZ-LBPRGKRZSA-N 292.339 0.658 0 50 CCAA CCNC(=O)CN1CCN(C(=O)c2csc(C)n2)CC1 49308143 DWEVITOLUKGXTC-UHFFFAOYSA-N 296.396 0.345 0 50 CCAA CCn1cncc1CNC(=O)[C@@H]1Cc2ccccc2C(=O)N1 426491049 NLVQKOVIUGOGLV-AWEZNQCLSA-N 298.346 0.874 0 50 CCAA CN(C)[C@@H]1[C@@H](NC(=O)c2ccncc2)[C@H]2CCO[C@H]21 222672515 IZOJGHIEIZUALD-YVECIDJPSA-N 261.325 0.529 0 50 CCAA O=C1CCCN1CCCn1cc([C@H]2CCOC2)nn1 91665021 RSOGXDWYDBGERS-NSHDSACASA-N 264.329 0.795 0 50 CCAA CCc1nc(N)nc(NCCN2CCOC2=O)c1C 91950676 DBGHIQVKVGQCDJ-UHFFFAOYSA-N 265.317 0.794 0 50 CCAA CCc1csc(CNC(=O)c2cncc(=O)[nH]2)n1 426698242 LYNQCUAULCKSAF-UHFFFAOYSA-N 264.310 0.719 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@@H]4[C@H]5[C@@H]([C@@H]41)[C@@H]2[C@H]53 247848423 FRSICVXYVAHOIH-RSZKKUEQSA-N 279.299 0.648 0 50 CCAA Cc1ccc(CCNC(=O)C[C@H]2CN(C)CCN2C)o1 244858457 VLKRTLFWSGNZID-ZDUSSCGKSA-N 279.384 0.883 0 50 CCAA O=C(O)CN(C(=O)C[C@H]1CCCO1)C1CCOCC1 299750980 OZJNJJAOXFNFBQ-LLVKDONJSA-N 271.313 0.648 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C 299739532 PSWBRSRIYCXZDN-UTUOFQBUSA-N 291.417 0.024 0 50 CCAA CC(C)(C)OC(=O)N1[C@H]2C[C@H]3[C@H](OC(=O)[C@H]31)[C@@H]2N 601012590 QMVRDHPPSUKTIG-DMAGGPPCSA-N 254.286 0.247 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C2CCNCC2)CC1=O 299752516 UKCMDINYZOIUCS-ADEWGFFLSA-N 265.357 0.112 0 50 CCAA Cc1nc(C)c(CC(=O)NCCn2ccnn2)s1 534577709 QSGRRRMBKDGZTQ-UHFFFAOYSA-N 265.342 0.710 0 50 CCAA CSCc1noc(CNC(=O)c2ccnn2C)n1 824920076 BFLNPELOIKDKAC-UHFFFAOYSA-N 267.314 0.596 0 50 CCAA Nc1nc(CCCNC(=O)c2cnn[nH]2)cs1 827597699 AQCQPRVIWDWMDQ-UHFFFAOYSA-N 252.303 0.206 0 50 CCAA CCc1nccn1CCC(=O)N[C@H]1COC[C@@H]1OC 824506620 LXEJLBGYKBPJTF-QWRGUYRKSA-N 267.329 0.366 0 50 CCAA COCCCn1cnnc1CNC(=O)c1ccc(O)cn1 584892081 KCLXARWBTSROAM-UHFFFAOYSA-N 291.311 0.345 0 50 CCAA CC[C@@H](NC(=O)CSc1nc(N)n[nH]1)c1ncc(C)[nH]1 670434646 DJYNVYJQNXZWTB-SSDOTTSWSA-N 295.372 0.778 0 50 CCAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cncn1 670449759 NUCHUQCTHRHHAI-GDNZZTSVSA-N 264.329 0.837 0 50 CCAA Cc1ccc(F)cc1S(=O)(=O)N1CC[C@H](O)[C@H](O)C1 828895266 VDBYZGJXGPOLHB-WDEREUQCSA-N 289.328 0.250 0 50 CCAA CCC[C@H](O)CNC(=O)c1cnn2c1NC[C@@H](C)C2 1521255343 MYQKEMOBCUDCJR-ZJUUUORDSA-N 266.345 0.836 0 50 CCAA C[C@@H]1C(=O)NCCCN1Cc1nc(C(C)(C)C)n[nH]1 408392622 GEYBSDWICITCIT-SECBINFHSA-N 265.361 0.813 0 50 CCAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCC(=O)O 190533520 AHWSOSJOHBRDTL-UHFFFAOYSA-N 293.245 0.806 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc[nH]2)C1 644033643 YGNSYXLZYDEPAR-ZDUSSCGKSA-N 265.313 0.118 0 50 CCAA CCCn1ncnc1CN1CCC[C@](O)(c2cnn[nH]2)C1 583617939 LXOJOTWOIALSEA-CYBMUJFWSA-N 291.359 0.290 0 50 CCAA C[C@@H](CN(C)C(=O)[C@@]1(C(=O)O)CC1(C)C)C(=O)O 585095652 WZNAOHOKWFZRTH-JVXZTZIISA-N 257.286 0.666 0 50 CCAA CCn1ncc(C(=O)N(C)Cc2cccc(OC)n2)n1 1615574796 NGZOIZFRQXPZDP-UHFFFAOYSA-N 275.312 0.974 0 50 CCAA Nc1ccn2ncc(C(=O)N[C@@H](CO)C3CCC3)c2c1 1615554509 TVFXIZRRWXCSEB-LBPRGKRZSA-N 274.324 0.807 0 50 CCAA COCCC(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615936323 ZHFPAWRXXILTET-STQMWFEESA-N 264.325 0.792 0 50 CCAA COc1cc2c(cc1CN1C[C@H](O)[C@@H](F)C1)OCO2 1616105871 KERULMICBYKTHR-UWVGGRQHSA-N 269.272 0.939 0 50 CCAA C[C@H](C(=O)NCC1CCN(CCO)CC1)N1CCCCC1 1506415805 AKCVTAHBWUVMHM-CQSZACIVSA-N 297.443 0.681 0 50 CCAA NC(=O)[C@@H]1CCCN1C1CCN(CCCF)CC1 131228486 VSIXZLRQPBBSQC-LBPRGKRZSA-N 257.353 0.760 0 50 CCAA CC[C@H](N)C(=O)Nc1cc(OC)cc(-n2cnnn2)c1 1506409404 WZSPHCHZYHTRGV-NSHDSACASA-N 276.300 0.347 0 50 CCAA C[C@@H](CF)NC(=O)c1ccc(S(C)(=O)=O)nc1 820434621 WYHMUIILZXOJNQ-ZETCQYMHSA-N 260.290 0.573 0 50 CCAA O=C(O)[C@@H]1C[C@H](NC2CCN(Cc3ccco3)CC2)CN1 1529190643 KEJICMCBHKUXSZ-JSGCOSHPSA-N 293.367 0.649 0 50 CCAA CCNC(=O)N1CCN(C(=O)c2cncc(O)c2)CC1 111775517 DDGLRGKNKYDQIE-UHFFFAOYSA-N 278.312 0.275 0 50 CCAA Cn1nccc1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1615955897 XQDNLBZCOULQSW-OLZOCXBDSA-N 286.335 0.803 0 50 CCAA OCCN(Cc1ncc[nH]1)Cc1cccc2nonc12 1772707330 VUFYVPRSCBGRDI-UHFFFAOYSA-N 273.296 0.940 0 50 CCAA Cc1nnc2n1C[C@H](CNC(=O)c1cnsc1)C2 1772705844 SGLHBGJAJVMEHZ-QMMMGPOBSA-N 263.326 0.645 0 50 CCAA CNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC 12844091 WDCSFVIUIQJAMJ-UHFFFAOYSA-N 290.316 0.201 0 50 CCAA O=C(CCN1CCN(CCO)CC1)Nc1ccccc1F 19841584 HCWYRIKHMDTGBH-UHFFFAOYSA-N 295.358 0.764 0 50 CCAA O=C(O)[C@@H](O)[C@H](O)C(=O)Nc1ccc(Cl)cc1Cl 4641523 MQVYPODHCWDACC-YUMQZZPRSA-N 294.090 0.738 0 50 CCAA CC[C@H]1C(=O)NCCCN1C(=O)[C@H]1C[C@@H]1c1cncn1C 1857531876 JUGQUDCHEVNBPF-SRVKXCTJSA-N 290.367 0.651 0 50 CCAA COC(=O)c1ccc(CN2C[C@@H]3CC(=O)N[C@@H]3C2)cc1 1857690847 OGVDLHUUQREEMA-QWHCGFSZSA-N 274.320 0.794 0 50 CCAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1nnnn1C 408044163 MKYMPOJQXFIZCV-IJLUTSLNSA-N 281.360 0.226 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(CCc2ccccn2)C1 643804338 QSRDISKMSPQDIF-AWEZNQCLSA-N 263.341 0.326 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)c2[nH]ccc2C2CC2)C1 643995872 QLBHNFMIUGURJN-HNNXBMFYSA-N 291.351 0.735 0 50 CCAA O=C(NC[C@@H](Cc1ccccc1)C(=O)O)[C@@H]1COCCO1 262536710 QLEZHKKAALPOSH-OLZOCXBDSA-N 293.319 0.462 0 50 CCAA COC1(C(=O)N2CCC([C@@H]3CC[C@H](C(N)=O)O3)CC2)CC1 952890077 RLICNFQHLYMRFB-NWDGAFQWSA-N 296.367 0.437 0 50 CCAA CCn1ncc(S(=O)(=O)Nc2ccc(=O)n(CC)c2)n1 1875280985 JXJKKGUYARTSIL-UHFFFAOYSA-N 297.340 0.280 0 50 CCAA CC(C)N1CC[C@@H](NC(=O)c2ccc(C(=O)O)o2)C1=O 236830497 QCEXZNWYUSOICD-MRVPVSSYSA-N 280.280 0.717 0 50 CCAA CCS(=O)(=O)N1CCC(N2CCOCC2)CC1 19888790 OAKGQSORQLNTML-UHFFFAOYSA-N 262.375 0.133 0 50 CCAA CCn1ccnc1CN(C)C[C@@]1(O)CCCNC1 77457557 FFKFLXASXYJJDT-CYBMUJFWSA-N 252.362 0.449 0 50 CCAA COC[C@H](O)CN(C)C(=O)c1c(Cl)c(C)nn1C 426474195 HFOUNKUFTQDRDD-MRVPVSSYSA-N 275.736 0.461 0 50 CCAA CCOC1CC(C(=O)N2C[C@H](OC)C[C@H]2CO)C1 358788275 NILAPKAEMSDDOD-POSLAHMBSA-N 257.330 0.410 0 50 CCAA CC(C)(O)CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 374109961 XSZJPVYGKFKZRK-CYBMUJFWSA-N 269.345 0.067 0 50 CCAA C[C@H](CC(=O)N1CCC[C@@](O)(C(N)=O)C1)C(C)(C)C 388966048 ULHAMOZKBQPKBN-YGRLFVJLSA-N 270.373 0.898 0 50 CCAA CCc1nccn1CCCNC(=O)N1CC[C@@H](O)C1 426368454 ZLBHVLGZXJAPAI-LLVKDONJSA-N 266.345 0.612 0 50 CCAA O=C(Cn1nnc2ccccc21)N1CCCC[C@@H]1CO 1433603000 LSJKESBJCSMUHX-LLVKDONJSA-N 274.324 0.805 0 50 CCAA Cc1cc(C)c(C(=O)N2C[C@H]3COC[C@@]3(CO)C2)c(O)n1 2356134177 BZXHMRHFHILDIA-NHYWBVRUSA-N 292.335 0.485 0 50 CCAA C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O 4070919 GUCRCHWPRACULN-ZETCQYMHSA-N 287.293 0.209 0 50 CCAA C[C@@H](C(=O)N1CCC[C@@H](CCC(=O)O)C1)S(C)(=O)=O 135844354 YUSWNENFABXWQN-UWVGGRQHSA-N 291.369 0.523 0 50 CCAA CCN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1 4821362 LQIYAPZQOAHCHQ-UHFFFAOYSA-N 261.274 0.921 0 50 CCAA CC(=O)N1CCC(C(=O)Nc2nncs2)CC1 20441692 KVINPFVHBARVQX-UHFFFAOYSA-N 254.315 0.735 0 50 CCAA CN1C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O 307208878 JZAYWRFIDOHVQS-QMMMGPOBSA-N 269.301 0.500 0 50 CCAA COCCN1CCN(Cc2ccc[nH]c2=O)CC1 20534112 VUHSEELLALEPNB-UHFFFAOYSA-N 251.330 0.139 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccnc1OC 219547035 XQFPPZWHJZGDJZ-SQNXGDPESA-N 292.335 0.870 0 50 CCAA c1cc(CN2CCO[C@]3(CNCCOC3)C2)cs1 72165332 GMIQDHPOZZIJRA-CYBMUJFWSA-N 268.382 0.939 0 50 CCAA Cn1cc2ncn(CCNc3cccnc3)c(=O)c2n1 72481267 LSJPAZXEAQAHBX-UHFFFAOYSA-N 270.296 0.637 0 50 CCAA CCN(C(=O)CCCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 77299561 SCTHSBQTOMILKI-GFCCVEGCSA-N 299.396 0.768 0 50 CCAA CN(C)CC(=O)N1CCO[C@@H](CN(C)CC2CC2)C1 328654386 XIWMMPYFDBJDSF-ZDUSSCGKSA-N 269.389 0.117 0 50 CCAA CC[C@H]1COCCN1C(=O)c1ccc(-n2cnnn2)cc1 172275516 DLIANLKRGJBZQN-LBPRGKRZSA-N 287.323 0.913 0 50 CCAA COC[C@H]1CCC[C@H]1NC(=O)Cn1c(C)cc(C)nc1=O 219651965 FUONZRAXLYOKHE-CHWSQXEVSA-N 293.367 0.791 0 50 CCAA O=C(O)CCSCc1noc(C(=O)NC2CC2)n1 34924984 UZJXHPNMSYMQDN-UHFFFAOYSA-N 271.298 0.670 0 50 CCAA CNC(=O)C1(C)CCN(C(=O)c2cc(=O)cc(C)o2)CC1 215941383 BDXURQLVTBUGPX-UHFFFAOYSA-N 292.335 0.937 0 50 CCAA CC(C)CN1CCN(C(=O)c2cnc[nH]c2=O)[C@H](C)C1=O 77421611 RXJSGJTUUXCUTD-SNVBAGLBSA-N 292.339 0.099 0 50 CCAA O=C(c1cc(-n2ccnc2)ccn1)N1C[C@@H](F)C[C@H]1CO 331906992 XYVBYNXUOQXHNE-JQWIXIFHSA-N 290.298 0.812 0 50 CCAA C[C@H]1CN(c2ccnc(C(N)=O)c2)C[C@@H](C)N1CCO 450796880 RJCRKPVTQCUSQD-PHIMTYICSA-N 278.356 0.072 0 50 CCAA CN1C[C@@]2(CCN(C(=O)c3n[nH]c4c3CCC4)C2)OC1=O 216128815 FZJNBVQQLSCQHS-CQSZACIVSA-N 290.323 0.565 0 50 CCAA CN1C[C@H](C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)CC1=O 262847413 WCKFKSZNRAHMBM-MRVPVSSYSA-N 294.311 0.120 0 50 CCAA CC(C)n1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)nn1 495738870 WYNAGBZCLOAVQB-SECBINFHSA-N 279.300 0.136 0 50 CCAA Cc1cc(C)cc([C@@H](O)CNC(=O)CN2CCOCC2)c1 283015845 GNZLVTJGARXHEB-HNNXBMFYSA-N 292.379 0.785 0 50 CCAA Cn1ncnc1[C@@H](NC(=O)C(=O)c1ccco1)C1CC1 220609503 KDZIUWODZZLCAN-JTQLQIEISA-N 274.280 0.858 0 50 CCAA CCS(=O)(=O)NCCCN1CC[C@H](C)C[C@H]1[C@H](C)O 241897189 TWKLKBIKAQKUEI-AVGNSLFASA-N 292.445 0.797 0 50 CCAA Cn1cnnc1CC1CCN(C(=O)[C@H]2CCCO2)CC1 82107327 VQBUGBVILQSZRS-GFCCVEGCSA-N 278.356 0.775 0 50 CCAA CCCO[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 221195314 ROLLQJWGSPAYTK-LLVKDONJSA-N 267.333 0.481 0 50 CCAA CC[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)c1nccs1 223115628 WJEGMYIVEFUWGT-MRVPVSSYSA-N 294.336 0.411 0 50 CCAA Cc1nc(CNC(=O)N2C[C@H](C)O[C@H](C)C2)n[nH]1 426689878 OQXIZFUFWFWIFL-OCAPTIKFSA-N 253.306 0.432 0 50 CCAA Cc1ncncc1C(=O)NC(C)(C)c1nnc(N)s1 97758040 MAFVPFPDWMYRFV-UHFFFAOYSA-N 278.341 0.884 0 50 CCAA Cc1ccc([C@H](CCO)NC(=O)CNC(N)=O)cc1 243892947 AMKRIOWKSSYAOH-NSHDSACASA-N 265.313 0.203 0 50 CCAA Cn1cc([C@H](NC(=O)c2cnccn2)[C@H]2C[C@H](O)C2)cn1 244866724 WBHSTDMJPQQGHH-IRUJWGPZSA-N 287.323 0.452 0 50 CCAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)Cn1cccn1 248132634 NPPBMBJOXIWWOM-QWHCGFSZSA-N 262.357 0.968 0 50 CCAA COC[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)CCO1 299753638 YVWYRRYUWIEELR-STQMWFEESA-N 264.325 0.560 0 50 CCAA C[C@H](NC(=O)c1ccc(-n2cnnn2)cn1)c1cn[nH]c1 622467536 XNFOTRBHALEHOL-QMMMGPOBSA-N 284.283 0.271 0 50 CCAA CNC(=O)c1cc(NC2=CC(=O)NC2)ccc1N(C)C 524734947 MIMDGJSVHQCHMJ-UHFFFAOYSA-N 274.324 0.538 0 50 CCAA Cc1sc(-n2cnnn2)c(C(=O)Nc2nn[nH]n2)c1C 524732782 NORVJAWCSIHIIF-UHFFFAOYSA-N 291.300 0.106 0 50 CCAA Cc1nc([C@@H]2CCOC2)cc(N2CCC(O)(CO)CC2)n1 299773357 FODBRNWKSWGYPN-GFCCVEGCSA-N 293.367 0.613 0 50 CCAA Cc1ccn2cc(CNC(=O)CCn3nnnc3C)nc2c1 299784195 WWWGDACVRGZYLK-UHFFFAOYSA-N 299.338 0.644 0 50 CCAA O=C(NCc1nnc2n1CCNCC2)c1cccc(F)c1 299761628 MBGXXGIGPRXQFJ-UHFFFAOYSA-N 289.314 0.493 0 50 CCAA CCCn1cnnc1[C@@H](C)NS(=O)(=O)N(C)C 823031047 VAVDKNHHHHYOQV-MRVPVSSYSA-N 261.351 0.145 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)Cn1cc(C)cn1 584884863 XVJBZTRBHRVWFZ-LLVKDONJSA-N 292.343 0.307 0 50 CCAA CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 675050198 JSBDWNFERAZSIZ-SSDOTTSWSA-N 279.314 0.105 0 50 CCAA CCO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1O 44168614 UWCTXXNFSDZRJM-PLJUSGQGSA-N 296.319 0.584 0 50 CCAA in-vitro O=C(NCc1ccccc1CO)[C@@]12CCOC[C@@H]1CNC2 685943332 ZBXYZCYLSVLUKC-GOEBONIOSA-N 290.363 0.421 0 50 CCAA C=CC(=O)NCCC(=O)N[C@@H](C)c1nnc(C)s1 1337856016 FMOUDZIYKPMCRG-ZETCQYMHSA-N 268.342 0.716 0 50 CCAA O=C1CCCC[C@H](C(=O)NCCOC(=O)C2CC2)N1 408521260 NULHKRINQCKVBD-SNVBAGLBSA-N 268.313 0.115 0 50 CCAA O=C(N[C@H]1COCC[C@@H]1O)c1cc(=O)c2ccccc2o1 1565526638 ZWVRZLFUCYYBQA-QWRGUYRKSA-N 289.287 0.673 0 50 CCAA NS(=O)(=O)[C@H]1CCN(c2nccnc2OC2CCC2)C1 663594988 OGVVYGZDMJGAJL-JTQLQIEISA-N 298.368 0.275 0 50 CCAA CN(CCNC(=O)[C@H]1C[C@H](O)CN1)Cc1ccc(F)cc1 277748433 YMVRSBYKSBQAMG-UONOGXRCSA-N 295.358 0.097 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(C)on1 643953514 UEUIPVLFHHCHJW-CYBMUJFWSA-N 281.312 0.350 0 50 CCAA COC(=O)c1ccc(OC[C@@H](O)CN2CC(C)(O)C2)cc1 585138132 QEVSAMFSMDFHAZ-LBPRGKRZSA-N 295.335 0.280 0 50 CCAA CC(C)(C)C(=O)N=c1[nH]o[nH]c1=NC(=O)[C@H]1CCCO1 585125133 HXJHCBVOXZBHES-SSDOTTSWSA-N 282.300 0.016 0 50 CCAA CN(CC(=O)N1C[C@@H](O)[C@H](F)C1)Cc1ccccc1 952973204 RPDQLTNKBVWVNZ-CHWSQXEVSA-N 266.316 0.660 0 50 CCAA CCCN1CCC(N2C[C@H](CO)[C@@H](CO)C2)CC1 1615688270 XMUXSCRWMKHJEQ-CHWSQXEVSA-N 256.390 0.393 0 50 CCAA COC1CN(S(=O)(=O)Nc2ccccc2C(=O)O)C1 1776002370 ZSQNCDWDMOBLTB-UHFFFAOYSA-N 286.309 0.372 0 50 CCAA CC[C@H]1CN(C(=O)c2n[nH]c(O)n2)CCN1C(C)C 1529178893 UEZPVVVJSZXJOJ-VIFPVBQESA-N 267.333 0.455 0 50 CCAA CCn1nccc1S(=O)(=O)N[C@H](CC(C)C)C(=O)O 262357055 CBLWXERWQXPWQY-SECBINFHSA-N 289.357 0.681 0 50 CCAA COCCn1cncc1CN1C[C@H]2C[C@H](O)C[C@H]2C1 1800411842 PKYSKFIVZDGZFV-IMRBUKKESA-N 265.357 0.732 0 50 CCAA COc1nc(N(C)C[C@@H](C)N2CCOCC2)ncc1F 1704311074 WSWFVEPFRIUITL-SNVBAGLBSA-N 284.335 0.781 0 50 CCAA O=C(O)[C@@H]1COCCN(C(=O)C2Cc3ccccc3C2)C1 1772808361 NZSJURYCTBVHFZ-AWEZNQCLSA-N 289.331 0.961 0 50 CCAA Cc1cc(CC(=O)NCCc2cnn[nH]2)cc(C)n1 1775980443 AUDDIEFWCCYNJH-UHFFFAOYSA-N 259.313 0.718 0 50 CCAA O[C@H](COCc1ccccc1)CN1CCOCC1 19537389 AFOBAUYOOAMFMF-AWEZNQCLSA-N 251.326 0.896 0 50 CCAA N[C@H]1CC[C@H](C(=O)NCC2(Cn3cccn3)CC2)C[C@@H]1O 1857717488 VOFKOEZGSPNTEC-AVGNSLFASA-N 292.383 0.268 0 50 CCAA N[C@H]1CC[C@H](C(=O)NCCOc2ccccc2F)C[C@@H]1O 1857718384 HEOUWINRFCKBRW-DRZSPHRISA-N 296.342 0.809 0 50 CCAA NC(=O)C[C@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)C1 119568598 PIYKKCFRGKMKBD-RISCZKNCSA-N 275.352 0.800 0 50 CCAA Cn1nc(-c2ccccn2)cc1NC(=O)Cn1cnnn1 1875242812 CQYJRCAYDCRYJH-UHFFFAOYSA-N 284.283 0.107 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2occc2C)C1 644033569 WPIWYQJLYZBUTE-CQSZACIVSA-N 280.324 0.691 0 50 CCAA Cc1cccc(C)c1OCCNC(=O)[C@@H]1C[C@H](O)CN1 152151541 RKNZMLLOJUFASV-STQMWFEESA-N 278.352 0.521 0 50 CCAA Cc1ccccc1S(=O)(=O)N1CC[C@@H](O)[C@@H](C(=O)O)C1 1704299517 SSFHXPNULCNAMS-WDEREUQCSA-N 299.348 0.451 0 50 CCAA CC[C@@H]1CN2CCC[C@H]2CN1C(=O)CCc1cnn(C)n1 826683776 CBPSALYKEMPKFU-KGLIPLIRSA-N 291.399 0.833 0 50 CCAA C[C@H]1OC(=O)N[C@@H]1C(=O)NCC(=O)c1cccc(F)c1F 869561548 PSQJIKZLOSUGBC-KBUNVGBDSA-N 298.245 0.761 0 50 CCAA Cc1cnn(CC(=O)NCc2c[nH]nc2[C@H]2CCNC2)c1 952849916 HYADHRBQBSDPNV-NSHDSACASA-N 288.355 0.308 0 50 CCAA Cc1n[nH]c(=NC(=O)N[C@@H]2C[C@@H]3C[C@H](CO)C[C@@H]32)s1 1875278111 ZPHCHHQKWXMWOY-AATLWQCWSA-N 282.369 0.797 0 50 CCAA Cc1nonc1C(=O)NN1CCN(CC(F)(F)F)C1=O 1875265163 WKCBKBNWUDYWLU-UHFFFAOYSA-N 293.205 0.323 0 50 CCAA NC(=O)c1ccncc1NCCc1nnc2ccccn12 1875258719 QVQMWJKMJIFYRD-UHFFFAOYSA-N 282.307 0.878 0 50 CCAA C=CC(=O)NCCS(=O)(=O)NCc1ccc(F)cc1 1875366040 YBNKTXAUKJACGZ-UHFFFAOYSA-N 286.328 0.547 0 50 CCAA CON(Cc1ccc(C)o1)C(=O)[C@@H]1CCS1(=O)=O 1875392502 FYSBWPALRYJUQK-JTQLQIEISA-N 273.310 0.665 0 50 CCAA NS(=O)(=O)C[C@H]1CCCCN1Cc1ccco1 888096178 MMAHBSCRHJCHON-SNVBAGLBSA-N 258.343 0.923 0 50 CCAA CCc1cc(CC(=O)N2C[C@@H](N)C3(CCC3)C2)n(C)n1 1775961871 FYNSOIIIEAWEHZ-CYBMUJFWSA-N 276.384 0.865 0 50 CCAA CCN1CC[C@@H](N(C)Cc2cnn3c2CNCC3)C1=O 1775958224 LHQNYNHQYBSXRM-GFCCVEGCSA-N 277.372 0.039 0 50 CCAA O=C(Cc1cccc(F)c1)N[C@]1(CO)CCOC1 182889806 IJTROEGUYOCSNA-ZDUSSCGKSA-N 253.273 0.636 0 50 CCAA Cc1cccc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)n1 659169679 HUCBJCQGMNVRJW-SCZZXKLOSA-N 250.254 0.362 0 50 CCAA COCCOCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77378504 LSNKVEGIWXFJJI-LLVKDONJSA-N 267.329 0.779 0 50 CCAA COc1ncccc1C(=O)N1CC[C@](OC)(C(=O)O)C1 630254248 OWCJNXKZXRSVSP-CYBMUJFWSA-N 280.280 0.406 0 50 CCAA Cc1ncccc1CN1C(=O)[C@@H]2CCCN2S1(=O)=O 2325783728 XHJGELSZLPFQPY-NSHDSACASA-N 281.337 0.441 0 50 CCAA O=C(c1ccc2cncn2c1)N1CCC[C@H]1c1nn[nH]n1 900391925 GBJVBTWCFWEBCX-NSHDSACASA-N 283.295 0.825 0 50 CCAA CCOC(=O)c1nnn(-c2nonc2NC(C)=O)c1C 74576 QYVSNRXIAXHSEF-UHFFFAOYSA-N 280.244 0.094 0 50 CCAA NC(=O)Cc1nc([C@H]2CC[C@@H](N)CC2)n([C@H]2CCOC2)n1 2356135714 QIINVNTVFFMOHZ-AXFHLTTASA-N 293.371 0.252 0 50 CCAA O=C(c1cc(C2CC2)[nH]n1)N1C[C@H]2COC[C@@]2(CO)C1 2356159342 WPYSPNUKNVGRAF-HZMBPMFUSA-N 277.324 0.368 0 50 CCAA C[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2ccccc2)C1 115404055 QYZHCSDQTRLEDP-NEPJUHHUSA-N 290.367 0.828 0 50 CCAA Cn1ccnc1CN1CCN(Cc2nccn2C)CC1 20294712 QOPAOVUQVQJGEN-UHFFFAOYSA-N 274.372 0.471 0 50 CCAA O=c1c2sccc2ncn1CCn1ncsc1=O 135471262 RZHJDJYRUHSHLL-UHFFFAOYSA-N 280.334 0.776 0 50 CCAA Cn1ccnc1SCC(=O)N1[C@H]2CC[C@@H]1CC(=O)NC2 65429997 USNDMJPHLULILA-ZJUUUORDSA-N 294.380 0.392 0 50 CCAA CCc1nnsc1C(=O)N1CCC[C@H]1CNC 122580410 GPTWPFLVPZHFQX-QMMMGPOBSA-N 254.359 0.925 0 50 CCAA CCOC(=O)N1CCC(NCCc2nnc(N)s2)CC1 65398048 KECDRFFHBHEZCV-UHFFFAOYSA-N 299.400 0.873 0 50 CCAA Cc1ccccc1NC(=O)CCn1ccc(=O)[nH]c1=O 170559349 QTFUHAUXWOYODG-UHFFFAOYSA-N 273.292 0.874 0 50 CCAA C[C@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)C[C@@H](C)O1 33359648 SUKRFZFACFBMOK-AOOOYVTPSA-N 298.364 0.583 0 50 CCAA CCNc1nc(C)c(C(=O)N2CCN[C@H](C(=O)O)C2)s1 71751401 BUUJNPLGQWFPQN-QMMMGPOBSA-N 298.368 0.382 0 50 CCAA Cn1c(C2CC2)nnc1N1CCS(=O)(=O)C(C)(C)C1 328705016 KYGYWSIPSWTNGW-UHFFFAOYSA-N 284.385 0.706 0 50 CCAA C[C@H](C(=O)N1CCOCC1)N1CCC[C@H]1Cn1cccn1 253375062 OLAMECBLWRKBRT-KGLIPLIRSA-N 292.383 0.595 0 50 CCAA CN(Cc1ccccc1OCC(=O)O)C[C@H]1COCCO1 215172375 XGQOSQDJWHAXDF-ZDUSSCGKSA-N 295.335 0.997 0 50 CCAA Cc1cccc(NC(=O)[C@H]2CCc3[nH]nnc3C2)c1C(N)=O 283211063 XKWHOFGMFQEWMB-VIFPVBQESA-N 299.334 0.956 0 50 CCAA CCc1nc(CN2CCC[C@@](O)(Cn3ccnn3)C2)no1 284607130 QJAGIYAAFVRZJQ-ZDUSSCGKSA-N 292.343 0.251 0 50 CCAA CN1C[C@H](NC(=O)Cc2ccccc2F)C[C@H]1CO 220662621 OTMOQVQATLTECT-NEPJUHHUSA-N 266.316 0.549 0 50 CCAA COCc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)O)o1 263247751 DIUCWGVQFDVEFH-VIFPVBQESA-N 283.280 0.742 0 50 CCAA C[C@@H](CC(=O)NC1(C(=O)O)CCC1)n1cccn1 426707219 NCEGGFPRYLUIAH-VIFPVBQESA-N 251.286 0.958 0 50 CCAA O=C(O)c1cnc(N2CC[C@H](CCCO)C2)cn1 263425921 REGYVOIIDNXSFO-VIFPVBQESA-N 251.286 0.774 0 50 CCAA CN(CC(=O)NCCCc1nccs1)C(N)=O 426599805 VMUVZSQSHWJSKY-UHFFFAOYSA-N 256.331 0.202 0 50 CCAA COc1cccc(OCC(=O)N2CC[C@@H](CN)C2)c1 178527894 MUOSAEBWTWOMRF-NSHDSACASA-N 264.325 0.881 0 50 CCAA CN1CCN(CCC(=O)NC(N)=O)[C@@H](c2ccccc2)C1 291441006 KMVKIDMNGCBLEZ-CYBMUJFWSA-N 290.367 0.560 0 50 CCAA O=C(O)[C@]12[C@H]3[C@@H]4[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@]1(Br)C41OCCO1 239563240 ZGOHSJGPNWPPHD-VNTCOBBASA-N 299.120 0.699 0 50 CCAA C[C@@H](NC(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1)C(F)(F)F 626592895 YVKYKJQFFSGGOH-BWZBUEFSSA-N 293.249 0.156 0 50 CCAA O=C(Cn1cccnc1=O)NCC[C@H]1CCCOC1 529603951 XEFBHGKRNLWJLR-LLVKDONJSA-N 265.313 0.176 0 50 CCAA COc1cccc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)c1C 628599361 NTVDJGXOIAUWRS-KOLCDFICSA-N 278.308 0.064 0 50 CCAA Cc1ocnc1C(=O)NCC[C@@H](C)N1CCN(C)CC1 534647228 AJILGERWIAGTAP-LLVKDONJSA-N 280.372 0.739 0 50 CCAA O=C(NCC1CCN(c2ncccn2)CC1)[C@H]1CCCO1 365099233 WYLXMFJPFJRJOU-CYBMUJFWSA-N 290.367 0.988 0 50 CCAA O=C1NC2(CCCC2)C(=O)N2Cc3[nH]cnc3C[C@H]12 828301462 GGLZYJVHSZPZAI-SNVBAGLBSA-N 260.297 0.106 0 50 CCAA CN(CC1(C)COC1)C(=O)Cn1ccccc1=O 584897944 NQNJSKJRRLWLRE-UHFFFAOYSA-N 250.298 0.343 0 50 CCAA COCCNS(=O)(=O)c1ccc2c(c1)OCCO2 4363032 PZHUXYNTJNOUQE-UHFFFAOYSA-N 273.310 0.383 0 50 CCAA Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CNCC[C@@H]2O)c1 1565511435 MNGCCUNUAJHOMN-NEPJUHHUSA-N 284.381 0.305 0 50 CCAA C[C@@]1(O)CCCN(C(=O)c2cnc3[nH]nnc3c2)C1 408204698 VWXSTULFAVCHDT-GFCCVEGCSA-N 261.285 0.340 0 50 CCAA CNCCCC(=O)Nc1cccc(-c2noc(=O)[nH]2)c1 170677597 OGGQWMRTEGDECJ-UHFFFAOYSA-N 276.296 0.968 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)c2cc[nH]c2C2CC2)C1 643998312 DPQXPVKRFRRHMM-HNNXBMFYSA-N 291.351 0.735 0 50 CCAA CN(C)C(=O)N1CCC(C(=O)N2CC(F)(F)C2)CC1 679639660 XTDUQUHHDRLFDW-UHFFFAOYSA-N 275.299 0.858 0 50 CCAA COc1nccnc1NCCN1CCCCC1=O 686297367 JSUWYLRESVXEAY-UHFFFAOYSA-N 250.302 0.910 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 120079 RNFZDXVBENHKHK-UHFFFAOYSA-N 272.326 0.387 0 50 CCAA Cc1nnc(SCC(=O)N[C@H](C(N)=O)C(C)C)o1 1506413633 KAJKNTLPOKESKY-QMMMGPOBSA-N 272.330 0.096 0 50 CCAA O=C(O)c1cnc(N2CC[C@H](CO)[C@H](O)C2)c(Cl)c1 1857722628 KMUJEOZXYKXPLE-GMSGAONNSA-N 286.715 0.613 0 50 CCAA CC(=O)N[C@@H](CC(C)C)C(=O)NCCc1cn[nH]c1 215714815 XAGQVTRMSIXSTQ-LBPRGKRZSA-N 266.345 0.619 0 50 CCAA COCCN1CC[C@@H](CN(C)Cc2noc(C)n2)C1 1529197031 JYMAZYRFSLHMNW-LBPRGKRZSA-N 268.361 0.778 0 50 CCAA C[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)CCCO1 332019670 QQBLBRLLADVRKQ-VIFPVBQESA-N 263.359 0.447 0 50 CCAA CC[C@H](C)[C@H](NC)C(=O)N(CCO)Cc1ncc[nH]1 1704341350 ZMMMYCWTIXIGLX-JQWIXIFHSA-N 268.361 0.365 0 50 CCAA COc1cccc(CC(=O)NC[C@]2(O)CCO[C@@H]2C)c1 228707565 YDALLSFVUUHOEI-IAQYHMDHSA-N 279.336 0.894 0 50 CCAA NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2169843 JIMLDJNLXLMGLX-SNVBAGLBSA-N 280.280 0.632 0 50 CCAA Cc1ccc(NC(=O)C(=O)NC[C@@H](C)O)cc1C 2993618 QHGNHZHGJHYQBR-SNVBAGLBSA-N 250.298 0.739 0 50 CCAA CN(C)C(=O)c1cccc(S(=O)(=O)NCCCN)c1 225477670 AJNFWQVJVKIVCI-UHFFFAOYSA-N 285.369 0.016 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccncc1Cl 643941596 KIUGJGVPXPEHSV-CYBMUJFWSA-N 297.742 0.842 0 50 CCAA O=C(CCc1ccccc1)N1CCN(CCO)CC1 20058629 IBOVCHGCNINPDW-UHFFFAOYSA-N 262.353 0.756 0 50 CCAA aggregator NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCOCC1 363435357 RXQUFPQECXYNPC-CYBMUJFWSA-N 291.351 0.515 0 50 CCAA COC1(C(=O)N2C[C@@H](C)O[C@H](C)C2)CCNCC1 163359326 GTDSVNYOFRPAOU-GHMZBOCLSA-N 256.346 0.391 0 50 CCAA CC(C)N1CCC(C(=O)N2CCC[C@@H]2c2nn[nH]n2)CC1 900390445 NXWNAIGSGMLREX-GFCCVEGCSA-N 292.387 0.984 0 50 CCAA O=C(c1cccc2nn[nH]c12)N1CCc2nc[nH]c2C1 929082765 WGOKKYRRLCAAJW-UHFFFAOYSA-N 268.280 0.880 0 50 CCAA COc1cc(C(=O)N(C)CCCN2CCCC2)[nH]n1 1875276395 YMCZDBCFVXOZLJ-UHFFFAOYSA-N 266.345 0.976 0 50 CCAA CC(=O)Nc1ccc2ncn(CC(=O)O)c(=O)c2c1 1875302126 AURXKCMOLFNOJZ-UHFFFAOYSA-N 261.237 0.440 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)NC[C@H]2CCCO2)C1 249059860 POJKQDAAJZRFOE-WDEREUQCSA-N 262.375 0.732 0 50 CCAA COc1cncc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)c1 262170888 DDQKKOMPAUASRZ-JTQLQIEISA-N 288.325 0.478 0 50 CCAA Cc1cc(O)nc(CCNC(=O)[C@@H]2CCCNCC2)n1 534647931 IHXHFJRXFWDLIG-LLVKDONJSA-N 278.356 0.539 0 50 CCAA COC(=O)c1nc(S(C)(=O)=O)ncc1Cl 6962292 ZPVFWDOODMTJSO-UHFFFAOYSA-N 250.663 0.320 0 50 CCAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)NC1(CO)CCCC1 55042504 RIYGBDBFTGDNNI-LBPRGKRZSA-N 297.399 0.007 0 50 CCAA CSCCCN(C)C(=O)CN(C)S(C)(=O)=O 225600877 SFJKPTBDHBKMEV-UHFFFAOYSA-N 268.404 0.089 0 50 CCAA CC[C@@H](NC(=O)c1c[nH]c(=O)[nH]1)c1nc(C)no1 219278599 UTYFMIDVXZBVCL-ZCFIWIBFSA-N 251.246 0.276 0 50 CCAA CO[C@H](C)CC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 328621080 AFNCBBHCQHKHDM-OCCSQVGLSA-N 284.400 0.981 0 50 CCAA O=c1c(=N[C@@H]2CCO[C@@]3(CCOC3)C2)[nH]ccn1C1CC1 329492300 TWYRFCBELGWEJW-ABAIWWIYSA-N 291.351 0.750 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)nn1 155800273 JUTIMWSZFCDPOR-NSHDSACASA-N 290.323 0.766 0 50 CCAA CO[C@H](C(=O)NCCn1cncn1)c1ccccc1 219576956 AOIKRJYENBVDAW-LBPRGKRZSA-N 260.297 0.782 0 50 CCAA CCc1oc(C(=O)OC)cc1CN1CC[C@](O)(C(N)=O)C1 285102578 QVDTUOKQUAUJOR-CQSZACIVSA-N 296.323 0.051 0 50 CCAA O=C(NC[C@@H]1CNC[C@H]1O)[C@H]1CCc2ccccc21 262360433 VCHHNJLTARDVEC-FPMFFAJLSA-N 260.337 0.413 0 50 CCAA CNc1nc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cs1 77407368 IOFGQJKZJLONAD-WCBMZHEXSA-N 266.370 0.961 0 50 CCAA CCN(C(=O)c1cc(=O)cc(C)o1)[C@H]1COC[C@@H]1O 219691099 VNRPQQAWTRFCPW-QWRGUYRKSA-N 267.281 0.170 0 50 CCAA C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)CC(=O)N1 335551430 QQNCGNQPMCAJLP-NSHDSACASA-N 288.347 0.901 0 50 CCAA O=C(O)CCC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 223536063 ISXMPVLAFSTWCU-VXGBXAGGSA-N 285.340 0.942 0 50 CCAA CC[C@@H]1CN(C)CCCN1C(=O)CCc1cn(C)nn1 614329249 DOQZOUVRPJATQS-CYBMUJFWSA-N 279.388 0.690 0 50 CCAA CC(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)C)nn2C)C1 82136807 DOZWCZWRPJGSGL-LLVKDONJSA-N 278.356 0.894 0 50 CCAA COCCC[C@]1(C(=O)O)CCCN(CC(=O)NC2CC2)C1 91416515 HGTNSSQDNFOXJX-OAHLLOKOSA-N 298.383 0.858 0 50 CCAA Cc1c[nH]c(CN2CC[C@H](N3CCN(C)CC3)C2)n1 97137028 AQWFLKKXZBDAFY-ZDUSSCGKSA-N 263.389 0.540 0 50 CCAA Cc1c(C(=O)N[C@@H]2CCc3c[nH]nc3C2)cnn1C 334314591 PLCLBSSYDJNTKF-SNVBAGLBSA-N 259.313 0.739 0 50 CCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cc2cccnc2[nH]1 616765862 OSKNDQHQRHKCEB-CYZMBNFOSA-N 297.318 0.864 0 50 CCAA CN(C(=O)CCCN)[C@H]1CCCC[C@@H]1S(C)(=O)=O 237287772 VQWWOPWSWAIGTQ-QWRGUYRKSA-N 276.402 0.540 0 50 CCAA CC(C)[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1C(=O)O 91894853 WPKGOEOEBNUEAW-NWDGAFQWSA-N 292.335 0.814 0 50 CCAA CN(Cc1cc(=O)n2ccccc2n1)C[C@@H]1COCCO1 244795853 RORLMOMSCYPWOA-CYBMUJFWSA-N 289.335 0.542 0 50 CCAA C[C@H](c1cnn(C)c1)N(C)C(=O)[C@@H]1COCCO1 182621872 BNKQFNUHJBAJEG-KOLCDFICSA-N 253.302 0.355 0 50 CCAA COc1nc(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)n[nH]1 182991943 RLAIPUSNKNFZIK-QMMMGPOBSA-N 287.279 0.878 0 50 CCAA COC[C@@H](c1ccccn1)N(C)C(=O)NCC(=O)N(C)C 534590247 DFQZYOTUZCFYBC-LBPRGKRZSA-N 294.355 0.499 0 50 CCAA Cc1nc(CN2CCO[C@H](C(=O)O)C2)n(C)c1C 534665436 XCQFMYOZTKZJGP-JTQLQIEISA-N 253.302 0.322 0 50 CCAA CC(C)(CN1CCOCC1)CN1CCC[C@H]1C(=O)O 828537509 HDLKEQOEXHANGH-LBPRGKRZSA-N 270.373 0.894 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@@H](C)c2nncn2C)c1C 827999932 ZKJCUFZSUGOQJJ-JTQLQIEISA-N 276.344 0.965 0 50 CCAA Cn1ccn2ncc(C(=O)N[C@@H]3CC=CC[C@H]3C(N)=O)c12 826846995 WNRCTXSCYOQXBZ-MWLCHTKSSA-N 287.323 0.223 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 828109040 JZTLAPUXDMOJGW-VJTDZRGJSA-N 277.368 0.206 0 50 CCAA O=C(CCn1cnnn1)N1CCO[C@@H](c2ccccc2)C1 583652526 SLYZHTGHHMCCNM-CYBMUJFWSA-N 287.323 0.663 0 50 CCAA CN(CC(=O)N[C@@H]1C[C@H]2OCC[C@@H]12)Cc1cccnc1 1074617508 WVZLEYCUCJCUDC-BFHYXJOUSA-N 275.352 0.807 0 50 CCAA NC(=O)Cc1nc(C2(N3CCOCC3)CCCCC2)n[nH]1 670453447 SDLFGETYGPMSEI-UHFFFAOYSA-N 293.371 0.324 0 50 CCAA CCCO[C@H]1CCCN(C(=O)CN2CCOC2=O)C1 952970479 CWOWOEWKJCWMTH-NSHDSACASA-N 270.329 0.856 0 50 CCAA CC(C)n1cc(S(=O)(=O)N2C[C@@H](C)[C@H](CO)C2)cn1 275252604 GVZMAGAMXIQLEP-MNOVXSKESA-N 287.385 0.713 0 50 CCAA CO[C@H](C)CS(=O)(=O)Nc1cnc2ccnn2c1 585129750 UTXNQJYMFOCHNB-MRVPVSSYSA-N 270.314 0.506 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1c(C)noc1C 643847070 SXZVMQNRHAHKFJ-CYBMUJFWSA-N 282.296 0.997 0 50 CCAA C[C@@H](NC(=O)c1cn(C)nc1C1CC1)c1nc[nH]n1 569089839 PRNMOYRPRKICON-SSDOTTSWSA-N 260.301 0.907 0 50 CCAA CSC[C@](C)(O)CNC(=O)[C@@H]1CCCc2nn[nH]c21 597278328 IGCJARYKGXEYLC-PRHODGIISA-N 284.385 0.455 0 50 CCAA Cc1nccn1CCCC(=O)N1CCCNC(=O)[C@@H]1C 1615057790 JXNAOQJDDOVUOG-NSHDSACASA-N 278.356 0.709 0 50 CCAA Cc1cc(CNC(=O)N[C@H](C)c2nnnn2C)ccn1 1615614845 LXAOLDKBURCGKG-SECBINFHSA-N 275.316 0.474 0 50 CCAA Cn1cc(CN2CCC(N3CCC[C@H](O)C3)CC2)cn1 1506425501 CYAITLNBMRPOAV-HNNXBMFYSA-N 278.400 0.841 0 50 CCAA Cc1nc(N)nc(NC[C@@H]2CN(C)C(=O)CO2)c1Cl 1506396697 JPGJWUXBKOHDOC-SSDOTTSWSA-N 285.735 0.290 0 50 CCAA CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 1529152800 XZESZCGRULACJO-OLZOCXBDSA-N 294.307 0.006 0 50 CCAA O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C2CC2)C1 328905723 AYYFFVTYUWMPRF-WDEREUQCSA-N 257.355 0.680 0 50 CCAA Cn1cc(C(=O)NCc2nn[nH]n2)c(C2CCCC2)n1 1464846463 IGFNZHQYAFBDMM-UHFFFAOYSA-N 275.316 0.521 0 50 CCAA CC(C)N1CC[C@H](NC(=O)c2ncccc2O)C1=O 114799753 AKHQVSDHVZYYDW-VIFPVBQESA-N 263.297 0.526 0 50 CCAA COc1ccccc1CC(=O)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772702832 LUNQCWNBRYRBGW-BETUJISGSA-N 291.347 0.297 0 50 CCAA COCCn1cnnc1CN(C)C[C@H]1CCC(=O)N(C)C1 1775978481 OLHFGTVCLNCDQQ-GFCCVEGCSA-N 295.387 0.225 0 50 CCAA COc1ccc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1 11330434 GYJZSOZJOMUDOZ-VIFPVBQESA-N 286.291 0.835 0 50 CCAA C[C@H](Cn1cncn1)NC(=O)c1ccc2c(c1)OCO2 12383657 VGIYUBWEAWGUEO-SECBINFHSA-N 274.280 0.825 0 50 CCAA CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 12653637 CGMVJRMREBETSQ-UHFFFAOYSA-N 286.353 0.695 0 50 CCAA COC(=O)c1ccc(N2C[C@H]3COC[C@@H](C2)CN3C)nc1 1875242976 KCXXFZPFFVUHMY-YPMHNXCESA-N 291.351 0.635 0 50 CCAA NS(=O)(=O)[C@H]1CCCN(C(=O)c2cncc(F)c2)C1 124856265 SWDZMXRWCHCDQA-JTQLQIEISA-N 287.316 0.114 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1cc(C(=O)OC)c(C)o1 1261790555 OWBSSCHSWXLCOP-UHFFFAOYSA-N 294.307 0.635 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H](c2nc(=N)[nH][nH]2)C1 1857779451 UXUSXXOVLJCJLA-SSDOTTSWSA-N 253.306 0.942 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1cnc(CCC)o1 861920100 RYKOHLRYWOUSPX-UHFFFAOYSA-N 265.313 0.888 0 50 CCAA CC1(C)[C@H](O)C[C@@H]1CC(=O)N1CCN2C(=O)CC[C@]21C 1875297749 CGUNDBVDVYOBAL-UEKVPHQBSA-N 280.368 0.964 0 50 CCAA O=c1ccnc2sc(N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)nn12 1875264661 FCCMZAJIESKTIV-YBSMEWOOSA-N 290.348 0.357 0 50 CCAA Cc1c(C(=O)NS(C)(=O)=O)cnn1-c1ccncc1 1875390476 XDRNEASBXUGSHI-UHFFFAOYSA-N 280.309 0.265 0 50 CCAA CS(=O)(=O)NC(=O)c1ccc(Nc2ncccn2)cc1 1875390923 SMUNBJOHPCNWJV-UHFFFAOYSA-N 292.320 0.910 0 50 CCAA COc1cc(O)ncc1C(=O)N1C[C@@H](N)C2(CCC2)C1 1775961287 ODAILBGQPSQVLG-LLVKDONJSA-N 277.324 0.749 0 50 CCAA COC[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccccc1 649496362 TWUJCTUHAGIVJA-QWHCGFSZSA-N 264.325 0.978 0 50 CCAA O=C(Cc1cccnc1)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12 923193652 CMDDZMINRWEFHE-KXNHARMFSA-N 260.293 0.850 0 50 CCAA CC[C@H](NC(C)=O)C(=O)NC(=O)NCc1ccccc1 2121305 PMXGNMDTKYSUBJ-LBPRGKRZSA-N 277.324 0.927 0 50 CCAA biogenic COC(=O)[C@@]12COC[C@@H]1CN(c1noc(C3CC3)n1)C2 2356167508 ZVLYZVDACULMSB-ZANVPECISA-N 279.296 0.573 0 50 CCAA COC(=O)Cc1ccnc(NC[C@H](O)C2CC2)n1 225388281 CJQKQQQMHVZKFR-JTQLQIEISA-N 251.286 0.375 0 50 CCAA CNc1ccnc(N2CCC[C@@]3(CN(C)C(=O)O3)C2)n1 72458020 FQXSWEVSBCLJOF-CYBMUJFWSA-N 277.328 0.939 0 50 CCAA Cn1cnc(NC(=O)c2ccc3c(c2)NC(=O)CO3)n1 253423171 SYWCQIHDVNOQLZ-UHFFFAOYSA-N 273.252 0.398 0 50 CCAA CN1CCN(C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)CC1 71792700 UOVMFIQDEOSINK-WHOHXGKFSA-N 264.325 0.283 0 50 CCAA O=C(O)c1ccc(C[C@H]2CCN(C(CO)CO)C2)cc1 72434359 PGSOSLZSNNRUJC-GFCCVEGCSA-N 279.336 0.602 0 50 CCAA CCN1CCO[C@H](C(=O)N2CCCC[C@H]2CN)C1 262556440 YYLOIHDFBXUYLH-RYUDHWBXSA-N 255.362 0.047 0 50 CCAA O=S(=O)(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)C1COC1 333551736 PJDGEEMNDINVKG-DCAQKATOSA-N 257.355 0.907 0 50 CCAA Cc1cc(C)c(C(=O)N2CCO[C@@H](C(=O)O)C2)o1 237802546 KRXMLIPIMLQFIN-SECBINFHSA-N 253.254 0.822 0 50 CCAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@H](CO)[C@H](O)C1 72151627 CVHMTMXSTZSKQK-HTRCEHHLSA-N 293.245 0.244 0 50 CCAA CC(=O)N1CC(C(=O)N[C@H]2CCN(c3cccnc3)C2)C1 373763513 QRLILUVVZNXYJE-ZDUSSCGKSA-N 288.351 0.255 0 50 CCAA C[C@@H](C(=O)O)N(C(=O)c1cnn2cccnc12)C1CC1 262484816 BACICKYCYOVEKH-QMMMGPOBSA-N 274.280 0.807 0 50 CCAA O[C@]1(Cn2ccnn2)CCCN(c2ncccn2)C1 284700674 JVWUPBJLCYTOEB-GFCCVEGCSA-N 260.301 0.100 0 50 CCAA C[C@@H]1CN(S(=O)(=O)CCc2ccccc2)C[C@H]1C(N)=O 284843188 WYHXESUSICQXNW-DGCLKSJQSA-N 296.392 0.612 0 50 CCAA Cn1nncc1-c1csc(N2CCOCC2)n1 285357011 NGNSUADHFWRANB-UHFFFAOYSA-N 251.315 0.775 0 50 CCAA Cc1cnc(C(=O)N[C@@H](C)Cc2cnccn2)cn1 220569919 ZTMJJRNLHIXXHQ-VIFPVBQESA-N 257.297 0.936 0 50 CCAA CN(C(=O)Cc1cc(=O)[nH][nH]c1=O)[C@@H]1CCOC(C)(C)C1 223404664 ZSAQFKSKQFKPOM-SNVBAGLBSA-N 295.339 0.022 0 50 CCAA Cc1ccn2c(C(=O)NCCCOC(C)C)nnc2n1 426536248 HPCUEVURDSBNPN-UHFFFAOYSA-N 277.328 0.978 0 50 CCAA CCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC1=O 225707127 DPWZGYJVVAWIEL-UWVGGRQHSA-N 250.302 0.126 0 50 CCAA Cc1cccc(=O)n1CCC(=O)N[C@@H]1C[C@@H]2OCC[C@@H]21 222362424 ANMIBAAJVJFBQR-UPJWGTAASA-N 276.336 0.840 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)Cc1cc(C2CC2)no1 614456509 RYUIKJDURJRLPF-LDYMZIIASA-N 277.324 0.878 0 50 CCAA O=P(C#[N+]O)(N1CCOCC1)N1CCOCC1 198113517 VBELBYJFNBPXMB-UHFFFAOYSA-O 262.226 0.524 0 50 CCAA CN(C)C[C@@]1(O)CCN(c2nc(N)nc3c2CCCC3)C1 95366975 QSWHUPVZHQCGMS-HNNXBMFYSA-N 291.399 0.440 0 50 CCAA O=C(O)[C@H]1[C@H](C(=O)NCc2ccncc2)[C@H]2C=C[C@H]1O2 239165048 NJOCHFDYBDTNNY-DDHJBXDOSA-N 274.276 0.352 0 50 CCAA Cc1nnc(CN(C)C(=O)[C@@H]2CC(=O)N(C3CC3)C2)o1 92021026 DEDSRIDXOJCNOQ-SECBINFHSA-N 278.312 0.347 0 50 CCAA O=C1C=C(Nc2cccc(N3CCCS3(=O)=O)c2)CN1 524733934 FUHPFCUDADARSU-UHFFFAOYSA-N 293.348 0.652 0 50 CCAA COCCN(C)CC(=O)NCC1(CO)CCCC1 534647220 QVWMBSGTWMZJML-UHFFFAOYSA-N 258.362 0.234 0 50 CCAA Cc1ccccc1CC1(NC(=O)COCC(N)=O)CC1 299763439 WMPRHWDMZLXALK-UHFFFAOYSA-N 276.336 0.688 0 50 CCAA COc1nc(N2CCO[C@H](CCN)C2)ncc1F 584895175 AVVBTDZENFFVBN-MRVPVSSYSA-N 256.281 0.178 0 50 CCAA Cn1cnnc1CCC(=O)NC[C@@]1(C)CCCO1 670461656 ORMVIUGVBKITSS-GFCCVEGCSA-N 252.318 0.433 0 50 CCAA CCCS(=O)(=O)N(CCN(C)C)C[C@@H]1CCCO1 952976674 XMTWSBSJTDNUGF-LBPRGKRZSA-N 278.418 0.769 0 50 CCAA CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCCCCC1 408388574 VVMLIYCSWURQOQ-OLZOCXBDSA-N 281.400 0.893 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccncc1F 643950165 BFZJVAURICFWTO-CQSZACIVSA-N 295.314 0.588 0 50 CCAA C[C@H](NC(=O)Nc1ccc(F)cn1)c1nnc(O)n1C 585141321 SSVBCMMFYKSSPB-LURJTMIESA-N 280.263 0.938 0 50 CCAA Cn1nccc1[C@H](NC(=O)[C@H]1CC12CCOCC2)C(=O)O 647771847 WOXZZLCQOASXMG-KOLCDFICSA-N 293.323 0.479 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC[C@H]1CCSC1 907850227 DREYYIXQEPSUQQ-SNVBAGLBSA-N 256.371 0.890 0 50 CCAA O=C(NCc1cnccn1)[C@@H]1NCCOc2ccccc21 1615548475 XILLAROYOLOGIK-CQSZACIVSA-N 284.319 0.816 0 50 CCAA Cc1ccc(CNC(=O)[C@@H]2CCc3nnnn3CC2)n1C 1647558616 KLUFIQLWKYZJSI-LLVKDONJSA-N 288.355 0.589 0 50 CCAA NC(=O)c1nnn(C[C@H]2CCCC23CCOCC3)n1 1652120199 DSAQCRFKPPYQQG-SECBINFHSA-N 265.317 0.369 0 50 CCAA CC(C)n1cc(NC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)cn1 1506430362 ZTXAZCIIHIMXJB-JTQLQIEISA-N 293.327 0.685 0 50 CCAA Cc1ccnn1CCN1CCC(c2nc(N)n[nH]2)CC1 1506405910 DMUPLJQKQROKBZ-UHFFFAOYSA-N 275.360 0.771 0 50 CCAA Cc1cc(=O)n(CCN(C)Cc2noc(C)n2)c(O)n1 1506425213 LQOKWNXMQWEPDU-UHFFFAOYSA-N 279.300 0.081 0 50 CCAA COCCN1CC[C@@H](CN(C)c2nccnc2N(C)C)C1 1506421685 LLLMKLCPWZKWEZ-ZDUSSCGKSA-N 293.415 0.947 0 50 CCAA O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H](C2CC2)C1 328905722 AYYFFVTYUWMPRF-QWRGUYRKSA-N 257.355 0.680 0 50 CCAA CCn1cnc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)c1 1857714842 OMQCDRQGLQWGBV-MVWJERBFSA-N 266.345 0.008 0 50 CCAA CN1CCO[C@]2(CCN(c3ncnc4cc[nH]c34)C2)C1 1772809216 PEGMGEJOLSCYKT-CQSZACIVSA-N 273.340 0.869 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O 12649158 IIRYNZYKXMSCSC-MNOVXSKESA-N 265.265 0.701 0 50 CCAA O=C1N[C@H]2C[C@@H]1N(C(=O)c1cc(-c3ccccn3)[nH]n1)C2 1857678949 NLGOATPMFONIND-UFBFGSQYSA-N 283.291 0.185 0 50 CCAA CN(C)c1ccnc(C(=O)NC2CC(C(=O)O)C2)c1 902652051 MWIQWNMNHSWDAR-UHFFFAOYSA-N 263.297 0.741 0 50 CCAA O[C@@H](c1ccccc1)c1ncnn1C[C@@]1(O)CCCOC1 849325054 ADPXRVBKIKJHBJ-ZFWWWQNUSA-N 289.335 0.901 0 50 CCAA O=C1NCCC[C@H]1N1C(=O)c2cccc(O)c2C1=O 1857783067 MMQQNUSEXIFCQZ-MRVPVSSYSA-N 260.249 0.267 0 50 CCAA CC[C@@H](C)CNC(=O)c1ccc(=O)n(CCO)c1 1875339728 VMONNPVVGNTSEK-SNVBAGLBSA-N 252.314 0.617 0 50 CCAA Cc1nonc1C(=O)N1CCOc2ccccc2[C@H]1CO 887111547 SOSHXEAGAMIMKB-LLVKDONJSA-N 289.291 0.946 0 50 CCAA O=C1NCC[C@@H]1NC1CC(S(=O)(=O)c2ccccc2)C1 895301340 GEJRLWOPDKVCCO-GDKBPFBDSA-N 294.376 0.469 0 50 CCAA Cc1csc(NC(=O)CN(C)C2CC(O)C2)n1 331422779 BISFEKLLKREEBN-UHFFFAOYSA-N 255.343 0.845 0 50 CCAA CC(=O)N(CC(=O)NC[C@H]1CCC(=O)O1)c1ccccc1 2325762176 NACAIJJMGVKTOK-CYBMUJFWSA-N 290.319 0.861 0 50 CCAA OC1CCN(c2ncc(-c3nc4ncccn4n3)cn2)CC1 2325773110 TZQVPUDXIVNHSA-UHFFFAOYSA-N 297.322 0.542 0 50 CCAA COC(=O)c1ccnc(NC[C@@H]2C[C@H]3C[C@@H]2[C@H](O)[C@@H]3O)c1 2325789878 SUXPCWLWKYSDTR-JZKMBYMZSA-N 292.335 0.658 0 50 CCAA CCS(=O)(=O)N1C[C@H](C)N(S(=O)(=O)CC)C[C@@H]1C 4904764 QUOOCZODADXQSU-UWVGGRQHSA-N 298.430 0.080 0 50 CCAA CCc1ccccc1NC(=O)CN1CC[C@](O)(C(N)=O)C1 225572602 FPBDRWBEPFSBHA-OAHLLOKOSA-N 291.351 0.110 0 50 CCAA CCc1cc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC)cs1 67817308 QSVAFPYCTNQKPC-KOLCDFICSA-N 281.381 0.598 0 50 CCAA NC(=O)N1CC[C@H](NC(=O)c2ccc(Cl)o2)C1 393351854 KHJLFYCXNJSZNR-LURJTMIESA-N 257.677 0.816 0 50 CCAA CC(C)[C@@H](O)CN1CCCN(S(=O)(=O)C2CC2)CC1 366597938 AOCWMYSPYNHDJG-ZDUSSCGKSA-N 290.429 0.503 0 50 CCAA CCc1nc(C)c(C(=O)N[C@H]2C=CS(=O)(=O)C2)o1 215232124 RGJXHIKITNVODM-QMMMGPOBSA-N 270.310 0.586 0 50 CCAA COCC(=O)N(C)C[C@@H]1C[C@H](F)CN1CC(=N)O 328655611 YNVBBWRMMOWPHP-IUCAKERBSA-N 261.297 0.039 0 50 CCAA Cc1cc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)on1 328622240 IICHBIOXAKDJCR-NSHDSACASA-N 289.339 0.845 0 50 CCAA CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CNCCO2)cc1 152004703 LKLNWNSZDHWHBD-CABCVRRESA-N 291.395 0.914 0 50 CCAA CCN1CCO[C@@H](C(=O)N2CC=C(COC)CC2)C1 375378470 IUEPWOYSYNKZLE-CYBMUJFWSA-N 268.357 0.512 0 50 CCAA CN(C(=O)C(=O)N1C[C@@H]2CCNC[C@@H]2C1)C1CCCCC1 335037627 CWXYIQPHFFIORQ-QWHCGFSZSA-N 293.411 0.845 0 50 CCAA Cc1nc(CCNC(=O)c2c[nH]nn2)nc2c1CCCC2 72174123 DJYXMBMKRMRANP-UHFFFAOYSA-N 286.339 0.754 0 50 CCAA CO[C@H]1CCCN(c2ncccc2S(N)(=O)=O)CC1 376868171 DZRIDCGVFJPJPI-JTQLQIEISA-N 285.369 0.734 0 50 CCAA CCC[C@]1(CO)CCCN1C(=O)[C@H](C)NC(=N)O 331300373 QWDAXARGYKYSCZ-JOYOIKCWSA-N 257.334 0.611 0 50 CCAA O=C1NCCCC[C@H]1CC(=O)N(CCO)C1CC1 373065491 HMZJGWFIWAWWRS-JTQLQIEISA-N 254.330 0.276 0 50 CCAA CN1C[C@@]2(CCCN(c3cc(N)ncn3)C2)OC1=O 72447180 KNBPGLFMGAPGPP-GFCCVEGCSA-N 263.301 0.480 0 50 CCAA C[C@@H](OC[C@H]1CCCO1)C(=O)NCC1=CCNCC1 263160815 YQPXKYKJRCDBBA-DGCLKSJQSA-N 268.357 0.606 0 50 CCAA Cn1cc(S(=O)(=O)NC[C@@H]2CCCCN2)nc1Cl 237803751 YYPZBLSXMCFZNX-QMMMGPOBSA-N 292.792 0.494 0 50 CCAA O=S(=O)(C1COC1)N1CC[C@@H](n2cc(Cl)cn2)C1 289872367 LXPSHPPNLDYORQ-SECBINFHSA-N 291.760 0.512 0 50 CCAA CCn1nccc1-c1nc(N2CCOCC2)n(C)n1 426623056 RYZBLINBBBOJME-UHFFFAOYSA-N 262.317 0.535 0 50 CCAA CNC(=O)c1nnc(-c2ccc(OCCOC)cc2)[nH]1 426494310 OJBYLELGEIKDCR-UHFFFAOYSA-N 276.296 0.857 0 50 CCAA O=C1COc2cccnc2N1C[C@H]1COCCO1 95379778 YNONJYHCRKMRSC-VIFPVBQESA-N 250.254 0.222 0 50 CCAA Cc1nc(NCCCc2nn[nH]n2)cc([C@@H]2CCOC2)n1 426389918 SYGYEIYQNWEWAQ-SNVBAGLBSA-N 289.343 0.847 0 50 CCAA Cc1nccnc1C(=O)NCc1cc2n(n1)CCCO2 614971000 YEDADFAJIMVGPY-UHFFFAOYSA-N 273.296 0.694 0 50 CCAA O=C1NCCN2CCN(C(=O)C3Cc4ccccc4C3)C[C@@H]12 426412821 VTVUQSOTWDTHKW-HNNXBMFYSA-N 299.374 0.044 0 50 CCAA COCC[C@]1(CO)CCCN(CCS(C)(=O)=O)C1 91657139 NOGDPFVJOJVZEB-GFCCVEGCSA-N 279.402 0.142 0 50 CCAA O=C(O)[C@H]1CCCN(C(=O)COC[C@@H]2CCCO2)C1 299743472 NQIDQJLHMNPMDZ-QWRGUYRKSA-N 271.313 0.505 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)Cn2cc(C3CC3)nn2)C1 299745286 XODJAOBGXBXLGU-SECBINFHSA-N 264.285 0.089 0 50 CCAA O=C1OC[C@H]2CN(c3nnnn3-c3ccccc3)CCN12 366233651 KHGJMSCKYAZKLY-LLVKDONJSA-N 286.295 0.303 0 50 CCAA CCc1nc(CN2CCN3C(=O)OC[C@@H]3C2)n[nH]1 372180543 QHWPYNIRMFSCRK-QMMMGPOBSA-N 251.290 0.004 0 50 CCAA COCCn1cnnc1CNC(=O)c1ccn(C)c1C 584904231 CAHZRKZWNCWTFA-UHFFFAOYSA-N 277.328 0.501 0 50 CCAA O[C@H]1CN(C2CCCCC2)C[C@@H]1N1CCOCC1 828896819 ZDYACEZQTOYZIB-KBPBESRZSA-N 254.374 0.696 0 50 CCAA CN(CC(=O)NCCCN1CCC[C@@H](O)C1)C1CCCC1 670461982 BJCAVJXAIUGWFY-OAHLLOKOSA-N 297.443 0.824 0 50 CCAA Cc1nonc1CNC(=O)Cc1ccc2c(c1)OCO2 584895764 PCILAJHQPATZIW-UHFFFAOYSA-N 275.264 0.966 0 50 CCAA c1cc(N2CCC(Nc3nccn4nnnc34)CC2)ccn1 1338313312 HUTSAEGSSHGHFK-UHFFFAOYSA-N 296.338 0.995 0 50 CCAA CS(=O)(=O)N1CCCN(CCCn2cccn2)CC1 244884417 YMBNBWBUBIANIJ-UHFFFAOYSA-N 286.401 0.241 0 50 CCAA CON(C)C(=O)CCN1CCC(=O)N2CCC[C@@H]12 952878571 ATKMJBXPWCATQO-JTQLQIEISA-N 255.318 0.051 0 50 CCAA CCc1nccn1CCC(=O)NCCn1ccnn1 952871981 FUZOGHLICAGWQE-UHFFFAOYSA-N 262.317 0.244 0 50 CCAA CCOC(=O)C1(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 408187456 NQOXNJCSUHYIJF-DCAQKATOSA-N 267.325 0.559 0 50 CCAA O=C(CSc1n[nH]c(=O)[nH]1)NC[C@H]1C[C@H]2CC[C@H]1C2 191135103 XDGKIEVDFPUBTB-XHNCKOQMSA-N 282.369 0.743 0 50 CCAA CCn1cc(CCN2CCC[C@@](O)(c3cnn[nH]3)C2)cn1 794585654 YUUMALAKPVWWLY-AWEZNQCLSA-N 290.371 0.547 0 50 CCAA CN(C)[C@H]1CCCN(CC(=O)NC2CCOCC2)C1 111248996 XGFLWUKNQWMAPZ-ZDUSSCGKSA-N 269.389 0.308 0 50 CCAA O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C2CC2)C1 328905720 AYYFFVTYUWMPRF-GHMZBOCLSA-N 257.355 0.680 0 50 CCAA NC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCCNC1 157404878 ALJPWPHQKGKCFV-WDEREUQCSA-N 268.361 0.035 0 50 CCAA COCCn1cncc1CN1CCC([C@H](O)CO)CC1 1772706635 WMZCAYXUDNMAKI-CQSZACIVSA-N 283.372 0.095 0 50 CCAA O=C(O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1Cl 12954621 WRKCTXBIFSFVLI-XBXARRHUSA-N 296.666 0.984 0 50 CCAA O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)n2ncnc2N1 13121937 ISSOIMRIVCOSBQ-VIFPVBQESA-N 275.243 0.880 0 50 CCAA CN1CCN(C(=O)Cn2c(=O)n(C)c3ccccc32)CC1 19823138 OSPPNAOFKWDODR-UHFFFAOYSA-N 288.351 0.114 0 50 CCAA CCc1ncncc1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 531220857 WEFZEXTYJZJXFO-VIFPVBQESA-N 274.324 0.532 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cn(CC2CC2)nn1 643822415 SUPRJMAKTPKEET-CQSZACIVSA-N 293.371 0.154 0 50 CCAA COc1ccccc1OCCN(C)C(=O)[C@H]1COCCN1 237145610 XFJMQJKGODGNTJ-GFCCVEGCSA-N 294.351 0.521 0 50 CCAA Cc1cscc1NC(=O)Cn1ncn2nccc2c1=O 1116347383 JHJQVKQYYMMOCN-UHFFFAOYSA-N 289.320 0.900 0 50 CCAA COc1cc(C)ccc1CNC1CS(=O)(=O)C1 952847906 KUWALVMBCSOXEL-UHFFFAOYSA-N 255.339 0.890 0 50 CCAA CCc1noc([C@@]23CCN(C)C[C@@H]2CN(CCCO)C3)n1 952889947 QKZICBUPYXIFOA-IUODEOHRSA-N 294.399 0.520 0 50 CCAA CNC[C@H](O)[C@H](C)C(=O)N(C)CCOc1ccccc1F 952883512 MXBQSRUYMBQXSD-AAEUAGOBSA-N 298.358 0.879 0 50 CCAA O=C(NOCCN1CCCC1=O)[C@H]1CCc2c[nH]nc21 1875274449 WWGIHQVVYZKSKO-JTQLQIEISA-N 278.312 0.110 0 50 CCAA Cc1noc(C)c1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 888077222 UNEYCWDASYUXJD-HOSYDEDBSA-N 276.296 0.592 0 50 CCAA CCCC[C@H](CC(=O)O)NC(=O)c1cc(N)n[nH]1 426693635 DAFZTBUOQMVBCR-SSDOTTSWSA-N 254.290 0.755 0 50 CCAA CS(=O)(=O)c1cnn(Cc2nnsc2Cl)c1 901600424 DBHHLHWCGIWYFG-UHFFFAOYSA-N 278.746 0.840 0 50 CCAA CSC(C)(C)[C@H](N)C(=O)NCc1cc(O)ncn1 2100477097 FFFJPJKIGHFKBC-SECBINFHSA-N 270.358 0.267 0 50 CCAA O=C(NC[C@H](O)c1ccccc1F)c1cc(CO)[nH]n1 2325864899 DLXSGWSJUWEKHI-LBPRGKRZSA-N 279.271 0.505 0 50 CCAA Cn1ncnc1C(=O)NC[C@@H]1CCC2(CCOCC2)O1 902971821 CZBAWPVDWFUPSM-JTQLQIEISA-N 280.328 0.273 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(CCNC2)NC(=O)C1 2325712141 VMKWTJFBIUCXSQ-CYBMUJFWSA-N 269.345 0.476 0 50 CCAA Cc1ccc(OC[C@@H](O)CN(CCO)CCO)c(C)c1 2451841 FKMPEHXRRXIFLS-AWEZNQCLSA-N 283.368 0.330 0 50 CCAA COC(=O)CNC(=O)N1CCc2ccccc2CC1 2356161933 QKPWIRGKBAPCFX-UHFFFAOYSA-N 262.309 0.970 0 50 CCAA COc1ccc(OC)c(NC(=O)C[C@H]2NCCNC2=O)c1 4223139 SQVAELWENIHXJR-LLVKDONJSA-N 293.323 0.120 0 50 CCAA O=C(N[C@@H]1CCS(=O)(=O)C1)Oc1ccccc1 6672228 RYUKATRJFGVLCQ-SECBINFHSA-N 255.295 0.962 0 50 CCAA CCN(CC)C(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10372148 LBPKRFQFSBWQDG-UHFFFAOYSA-N 291.417 0.373 0 50 CCAA Cc1nsc(N2CCN(C(=O)c3cnn(C)c3)CC2)n1 173276081 CSQHASQSRUYPNB-UHFFFAOYSA-N 292.368 0.542 0 50 CCAA COC(=O)c1nnsc1NC(=O)c1ccccn1 20744467 XLSNGAUJFXZIEO-UHFFFAOYSA-N 264.266 0.972 0 50 CCAA CSCC(=O)N1CCN(c2ccc3nccn3n2)CC1 215551341 BMUQHLCQYHUMMZ-UHFFFAOYSA-N 291.380 0.741 0 50 CCAA COCc1nc(N2CC[C@H](N(C)C)C2)c2cnn(C)c2n1 72153952 VHEACBSCYNPYOI-JTQLQIEISA-N 290.371 0.650 0 50 CCAA C[C@@H]1CC[C@H](C(=O)N2CCO[C@H](CN(C)CC(=N)O)C2)O1 328627411 GBRDPDAEEYOGOB-IJLUTSLNSA-N 299.371 0.248 0 50 CCAA O=C(NS(=O)(=O)c1cnccn1)C1=CCCC1 123803137 WPRJEZTYJWMNOD-UHFFFAOYSA-N 253.283 0.392 0 50 CCAA Cc1ccc(CS(=O)(=O)NC[C@@H]2CC(=O)N(C)C2)cc1 74863365 JSFLIZQAEQVLHQ-ZDUSSCGKSA-N 296.392 0.893 0 50 CCAA CC(C)N1CCC[C@@H](CNC(=O)N2CCNC(=O)C2)C1 171702626 RYMAZRASWQQEAU-LBPRGKRZSA-N 282.388 0.248 0 50 CCAA CO[C@H]1C[C@@H](C(=N)O)N(CC(=O)NC2CCCC2)C1 330536331 SEFMYLJDUAVUKP-QWRGUYRKSA-N 269.345 0.670 0 50 CCAA c1c(CN2CCSCC2)nn2c1CNCCC2 72125507 XUCKSNXCWJNXMP-UHFFFAOYSA-N 252.387 0.925 0 50 CCAA O[C@]1(CNCCc2nc3c(s2)CCCC3)CCNC1 77355576 XHWMPUSPXUMWEJ-AWEZNQCLSA-N 281.425 0.878 0 50 CCAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccco1 218919578 QIEIOLGOACZKEA-BDAKNGLRSA-N 269.253 0.268 0 50 CCAA CN(C)C1(C(=O)N2CC[C@@H](CN)C2)Cc2ccccc2C1 376789264 GHBXAYYEJZSNFB-ZDUSSCGKSA-N 287.407 0.893 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)NC1CN(C(C)=O)C1 336043983 SOWMTKQLRRLLEX-VXGBXAGGSA-N 254.330 0.539 0 50 CCAA CCCO[C@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 40501559 HEUXZVWVKGPEHZ-JTQLQIEISA-N 273.358 0.989 0 50 CCAA CCCN(CC(=O)O)C(=O)Cn1ccc(C)cc1=O 263470906 XXHAVUCJTPOGHN-UHFFFAOYSA-N 266.297 0.480 0 50 CCAA COc1ccnc(C(=O)N2CCN(CCC(=O)O)CC2)c1 426409156 BJHDGLWLRPYQQK-UHFFFAOYSA-N 293.323 0.323 0 50 CCAA CC(C)c1noc(CNC(=O)N2CCC[C@@H](O)C2)n1 426668237 FJRSDMGVHPPVBX-SECBINFHSA-N 268.317 0.859 0 50 CCAA Cn1c(=N)c(F)cn(S(=O)(=O)c2ccccc2)c1=O 149402535 RTZOFJBJGHIIIH-UHFFFAOYSA-N 283.284 0.042 0 50 CCAA CC(=O)N1CCC[C@H](C(=O)NCCc2nnc(C)s2)C1 95355536 SITNIVOKPAWGCG-NSHDSACASA-N 296.396 0.764 0 50 CCAA CN[C@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 178596274 MKMZPLLHFPVRNA-KBPBESRZSA-N 261.369 0.939 0 50 CCAA O=C1CCCCN1CC(=O)N(CCO)Cc1nccs1 97506111 OWSFCZNWHWHZJC-UHFFFAOYSA-N 297.380 0.477 0 50 CCAA C[C@H](C(=O)N1CCCC1)n1ncc(N(C)C)cc1=O 95355831 GKPRFLYOSYEGSH-SNVBAGLBSA-N 264.329 0.493 0 50 CCAA O=C(NCCc1cnccn1)[C@H]1CC(=O)N(C2CC2)C1 92036919 NOCYISRHKWZBCX-JTQLQIEISA-N 274.324 0.146 0 50 CCAA CN1CCN(c2cc(-c3cc[nH]n3)nc(N)n2)CC1 97480053 PNQUKMMTBATRPY-UHFFFAOYSA-N 259.317 0.201 0 50 CCAA CCCSCCNC(=O)c1ccn2nnnc2c1 97572200 PIFNZTJZWBUGBB-UHFFFAOYSA-N 265.342 0.997 0 50 CCAA COC[C@H]1CCCCN1C(=O)Cn1cccc(OC)c1=O 95519142 SJBAYPYCYUCJNB-GFCCVEGCSA-N 294.351 0.884 0 50 CCAA CC(=O)N1CC(NC(=O)c2cccc3ncn(C)c23)C1 538329854 QMGDJZGEJYCQDM-UHFFFAOYSA-N 272.308 0.534 0 50 CCAA CC1(C)NC(=O)CC[C@H]1NC(=O)c1cc2n(n1)CCC2 622587721 LHKAMTLOOPRZCE-LLVKDONJSA-N 276.340 0.616 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)[C@H](C)CO1 299739972 UHAIKCPORAGJJW-WISYIIOYSA-N 291.417 0.057 0 50 CCAA Cc1ncc2c(c1CNC(=O)c1cnccn1)CCNC2 299767537 LPZWSEWDLNKRSH-UHFFFAOYSA-N 283.335 0.756 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1n[nH]c2ccccc12 534574520 OPHFKJQZZPRFRN-PELKAZGASA-N 289.291 0.152 0 50 CCAA Cc1nn(C)cc1CN1CC[C@H]2OCc3cnnn3[C@H]2C1 299764715 CRVOLRAUBBIOFS-UONOGXRCSA-N 288.355 0.666 0 50 CCAA CCn1nc(C)c([C@@H](C)NC(=O)CS(C)(=O)=O)c1C 823593446 ULFCAIAXWJJTJV-MRVPVSSYSA-N 287.385 0.742 0 50 CCAA Cc1cncc(-c2nc(CC(N)=O)nn2CC(C)(C)O)c1 826842495 WXAMFUCCPWEKKK-UHFFFAOYSA-N 289.339 0.447 0 50 CCAA CC(C)n1cnnc1CCN[C@@H](C)CS(C)(=O)=O 821381960 WIMVRYPNMBXQHI-JTQLQIEISA-N 274.390 0.424 0 50 CCAA CCCc1cc(CNC(=O)c2ccc3nnnn3c2)on1 823020298 QWUOHSZXQABBQJ-UHFFFAOYSA-N 286.295 0.995 0 50 CCAA C=CC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 408525893 HOVYFSNECDJXCO-SNVBAGLBSA-N 258.343 0.199 0 50 CCAA CO[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CC(=O)N(C)C2)C1 408311481 ZFAUIAPFYMNPQI-QJPTWQEYSA-N 268.357 0.929 0 50 CCAA CC[C@@H]1C[C@H](C(=O)N2CC[C@](C)(C(N)=O)C2)CC(=O)N1 408328370 WTFLWTKGOXIKPE-RBZYPMLTSA-N 281.356 0.015 0 50 CCAA CCOCC1(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)CC1 408473605 CGKVSYLJFWQBDS-NXEZZACHSA-N 254.330 0.383 0 50 CCAA OC[C@H]1CN(c2nc(C3CC3)nc3[nH]ccc23)C[C@H]1O 631305304 CIUADMANICBEBH-MWLCHTKSSA-N 274.324 0.625 0 50 CCAA CC(C)(C)CN(CC(=O)O)C(=O)Cn1cccn1 663137504 JCDXHADSLQLZBT-UHFFFAOYSA-N 253.302 0.842 0 50 CCAA Cc1nc(CC(=O)N2CCOC[C@H]2C(=O)O)c(C)s1 649421378 NATMIQMDENLESV-JTQLQIEISA-N 284.337 0.614 0 50 CCAA CCn1cc(CC(=O)NC2CCC3(CC2)C[C@H]3N)nn1 1615545489 HVYUNNOMCVDAPE-KSGYAGIASA-N 277.372 0.617 0 50 CCAA CNc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OC 220707568 YUIKEBPTPRNOEM-GHMZBOCLSA-N 265.313 0.657 0 50 CCAA CCc1c(C)nn(CC(=O)N2C[C@@H](O)CO2)c1C 1857686833 DVOIDRKXWCJKAH-SNVBAGLBSA-N 253.302 0.197 0 50 CCAA CCn1nc(N2CC[C@H](CC(=O)NC)C2)nc1OC 1704298273 GFRQLHTVEPAWGK-SECBINFHSA-N 267.333 0.269 0 50 CCAA CC(C)N1C[C@@H](NS(=O)(=O)C[C@@H]2CCOC2)[C@H](C)C1 246907088 HZVFQAKSKXOIBO-JHJVBQTASA-N 290.429 0.671 0 50 CCAA CC1=NS(=O)(=O)N(C)C=C1C(=O)OC(C)(C)C 1775972920 CNKHOCJZOLDCFC-UHFFFAOYSA-N 260.315 0.863 0 50 CCAA Cc1ncc(Cl)c(NCCNS(C)(=O)=O)n1 1772700631 BLKGFDXBABQVCN-UHFFFAOYSA-N 264.738 0.400 0 50 CCAA COCCNC(=O)[C@H]1CC(c2ccc(OC)cc2)=NO1 5029201 RMDWEAHCRUKXDU-CYBMUJFWSA-N 278.308 0.951 0 50 CCAA C[C@@H]1CCO[C@@H]1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 222328147 BAPGVHWJHISGSF-FXAINCCUSA-N 280.299 0.893 0 50 CCAA CO[C@@H]1CN(C(=O)c2c(C)ccn2C)C[C@H]1c1cnn[nH]1 622166187 CRELMEKEWBKSKO-CMPLNLGQSA-N 289.339 0.706 0 50 CCAA COCC[C@@H](C)S(=O)(=O)N1CCC[C@H](C(=O)O)C1 262454944 RLPYUJTYPCCYPZ-ZJUUUORDSA-N 279.358 0.538 0 50 CCAA Cc1cc(C)n([C@H](C)CC(=O)N2CCO[C@@H](C(=O)O)C2)n1 262891841 AHCZKVLQRCOTOV-VXGBXAGGSA-N 295.339 0.763 0 50 CCAA Cc1nn(C)c(C)c1CC(=O)NC1(C(=O)O)CCC1 164867638 PERPJKVKCZMWAT-UHFFFAOYSA-N 265.313 0.703 0 50 CCAA Cc1nc(S(=O)(=O)N2CC[C@@H](OCC3CC3)C2)cn1C 390830946 OMKHFEFIVLJDKF-GFCCVEGCSA-N 299.396 0.918 0 50 CCAA O=C(NCc1cocn1)[C@@H]1CC[C@H](CN2CCOCC2)O1 932277647 JQGNHNQOYJZOPR-OLZOCXBDSA-N 295.339 0.171 0 50 CCAA C=CC(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 863971477 UZLCTLGAVLCTPC-UHFFFAOYSA-N 259.309 0.655 0 50 CCAA CCCOCC(=O)Nc1ccc(O)cc1C(N)=O 952849438 PIBFNOSUWGFAFH-UHFFFAOYSA-N 252.270 0.856 0 50 CCAA CC(C)CN1CCC(=O)N[C@@H](Cc2ccncc2)C1=O 1875290250 KBMPOBJBJWVREU-ZDUSSCGKSA-N 275.352 0.997 0 50 CCAA COC(=O)N1CC[C@H](NCCOCCN(C)C)C1(C)C 1875275670 RHPUQWJJNKDPRN-LBPRGKRZSA-N 287.404 0.774 0 50 CCAA O=C(C1OCCO1)N1CCC(Cc2ncon2)CC1 1875311816 NGXDCTRRHVTQCX-UHFFFAOYSA-N 267.285 0.224 0 50 CCAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cnccc1N 128138131 KUDNTFRVEMTLIV-GHMZBOCLSA-N 260.341 0.973 0 50 CCAA COC(=O)c1ccc(CN2CCC(=O)N3CCC[C@H]23)[nH]1 1775985266 XPDBIPFTFSQUJF-GFCCVEGCSA-N 277.324 0.956 0 50 CCAA C=CS(=O)(=O)CCN1CCOC[C@@H]1c1ccnn1C 1775994466 PRXVWPINJGTUMT-GFCCVEGCSA-N 285.369 0.352 0 50 CCAA O=c1cc(CN2CCOCC2)nc2sccn12 20534719 YMYRPLBFFUOPSA-UHFFFAOYSA-N 251.311 0.588 0 50 CCAA O=C1CCC(C(=O)NCCCc2cccnc2)=NN1 74554171 LUVQKWLLQKLLMN-UHFFFAOYSA-N 260.297 0.396 0 50 CCAA COc1cc(C(=O)N[C@H]2CCOC[C@@H]2O)ccc1C 629223327 WGTXXDBVYXQTBC-RYUDHWBXSA-N 265.309 0.883 0 50 CCAA CN(C)C1(CNC(=O)[C@H]2C=CCN2)CCCCC1 827690924 NQBFCRJHMAMYKW-GFCCVEGCSA-N 251.374 0.895 0 50 CCAA CC1(C)[C@@H](CN)C[C@@H]1NC(=O)c1nccn2nccc12 2325800021 HOKDEAKDGLOPCR-KOLCDFICSA-N 273.340 0.833 0 50 CCAA Cc1nonc1CC(=O)N[C@@H]1CC[C@@H](c2nc(=O)o[nH]2)C1 2325822011 WSSCCXKWPGPHCA-HTQZYQBOSA-N 293.283 0.049 0 50 CCAA CN1C(=O)C[C@H](n2c(CO)nc3ccccc32)C1=O 619885 YMPIEMCEWWTYAN-JTQLQIEISA-N 259.265 0.458 0 50 CCAA O=C(O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 1926279 JQBNNVRJHMJMMK-UHFFFAOYSA-N 271.294 0.875 0 50 CCAA CC(C)NC(=O)CNC(=O)c1n[nH]c(=O)c2ccccc12 8133734 OGPZLYXHURXMNL-UHFFFAOYSA-N 288.307 0.178 0 50 CCAA Cc1ccccc1[C@@]1(O)CCN(CCn2cnnn2)C1 20351600 FNPVYDOSPBMMJN-CQSZACIVSA-N 273.340 0.575 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCC1CCCC1 67879268 WBIHJCXNZJKXAZ-RYUDHWBXSA-N 267.373 0.631 0 50 CCAA CN1N=C(C(=O)NC[C@@H]2CCn3ccnc3C2)CCC1=O 328615584 AXNUUHZFFKRCGT-SNVBAGLBSA-N 289.339 0.170 0 50 CCAA NC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H]1COc2ccccc2O1 252516622 VIDWPSPAWLBEGB-GIPNMCIBSA-N 290.319 0.597 0 50 CCAA Cc1cnn(CCCN2C(=O)NC3(CCNCC3)C2=O)c1 77438710 GCSBXJPVAWYKAH-UHFFFAOYSA-N 291.355 0.256 0 50 CCAA Cn1nncc1S(=O)(=O)N(CC1CC1)CC1CC1 330139140 IPTJQYCLMNSVIK-UHFFFAOYSA-N 270.358 0.626 0 50 CCAA CC(C)(CC(=O)N1CCOC[C@@H]1C(N)=O)C(F)(F)F 369174616 PVPBJAWCBIPTDN-SSDOTTSWSA-N 282.262 0.678 0 50 CCAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ncccc1O 72149228 KIGVBXRYANKNAO-LLVKDONJSA-N 299.334 0.976 0 50 CCAA NC(=O)c1nn(CC2(O)CCCC2)c(=O)c2ccccc12 331975239 LMZRKGZHDJGPDA-UHFFFAOYSA-N 287.319 0.801 0 50 CCAA Cn1ccnc1CN(CCO)C(=O)c1cc(C2CC2)[nH]n1 215820835 WMCOYHVDSXLYDA-UHFFFAOYSA-N 289.339 0.655 0 50 CCAA CC(C)N1CCC[C@H](CNC(=O)Cn2ccnn2)C1 426405159 OLLGRVIBXNULKI-GFCCVEGCSA-N 265.361 0.515 0 50 CCAA CC1(C)C[C@@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 131610636 MPZJNGGCJANJIA-LLVKDONJSA-N 282.365 0.996 0 50 CCAA O=C(CCc1n[nH]c2c1CCCC2)N[C@@H]1CCOC[C@H]1O 222616812 MIYAGRHFMKWAJW-ZIAGYGMSSA-N 293.367 0.487 0 50 CCAA O=C(O)[C@@H]1C=CCN1C(=O)CC1=CSC2=NCCCN12 426598799 CBSUHMIKGRXREY-JTQLQIEISA-N 293.348 0.878 0 50 CCAA O=C1C[C@@]2(CCN(c3cnc4ccccc4n3)C2)C(=O)N1 82172063 ZAEPLRQLAJFOQD-OAHLLOKOSA-N 282.303 0.873 0 50 CCAA CCN(CC)CCCNC(=O)NCc1nc(O)n[nH]1 426615558 PPJZDNVVLKCVOM-UHFFFAOYSA-N 270.337 0.041 0 50 CCAA CCc1cnc(NCCSc2nnnn2C)nc1 95383220 HMGNHKGCMXZOJR-UHFFFAOYSA-N 265.346 0.767 0 50 CCAA Cn1nc(C(=O)NC2(C(N)=O)CCCC2)c2c1CCCC2 97694857 PIHWABVKTDUWCK-UHFFFAOYSA-N 290.367 0.827 0 50 CCAA Cc1ncc(CN2CCC3(CC2)C[C@@H](O)CO3)[nH]1 97773075 NLZKMUXFNCGINZ-GFCCVEGCSA-N 251.330 0.834 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCOCC1 247438099 WLYUHCLZBSNNLJ-UKKRHICBSA-N 251.282 0.368 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@@]13CC=CC[C@@]53[C@H]42 248048753 QHLGHZYVJAXKCF-SEFCWNAXSA-N 269.304 0.286 0 50 CCAA O=C(NCCn1cccc1)c1ccc(-n2cnnn2)cc1 253408718 KZLHWYXVOWIVQI-UHFFFAOYSA-N 282.307 0.894 0 50 CCAA CC[C@](C)(CC(=O)O)NC(=O)[C@@H]1CSCN1C(C)=O 299748791 IEFPKEHJXRCGBB-JOYOIKCWSA-N 288.369 0.667 0 50 CCAA O=C(O)C[C@H]1CN(Cc2nccs2)C[C@H]1c1c[nH]nn1 299765783 AXMYDPSAEHELDS-DTWKUNHWSA-N 293.352 0.952 0 50 CCAA O=C(c1cscn1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299800065 ZMBIBJCGYWBFHY-WDEREUQCSA-N 291.336 0.721 0 50 CCAA COCc1cc(CNC(=O)[C@H](C)Cn2cccn2)[nH]n1 824475103 FNIMSVRSVSRWEN-SNVBAGLBSA-N 277.328 0.705 0 50 CCAA COC[C@@]1(C(=O)OC(C)(C)C)CCCN1CCO 599483763 HFWYLRKWAXVEAA-CYBMUJFWSA-N 259.346 0.801 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)Cc1cccc(F)c1F 1548448019 FPXXZYNOFIYXJN-GHMZBOCLSA-N 270.279 0.610 0 50 CCAA CCn1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@H]2COC)cn1 1565528690 ZTOWKCNGGKJBHQ-MROQNXINSA-N 279.340 0.683 0 50 CCAA O=C(CCc1cccnc1)N1C[C@@H](O)[C@H](n2ccnn2)C1 630016009 FLEUWVNVSTZVAN-CHWSQXEVSA-N 287.323 0.050 0 50 CCAA C=Cc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CO)cc1 632578335 SSLXPXXUDXGFGY-CYBMUJFWSA-N 296.392 0.627 0 50 CCAA COCCNCc1cn(C)nc1I 584880774 FATJYAMMMLINAN-UHFFFAOYSA-N 295.124 0.761 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)NCc1ocnc1C 1615605986 OMQDHIVMUMNWSW-UHFFFAOYSA-N 270.314 0.503 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1ccnc(OC)c1 210394455 MRAHPANEPLLTKG-MNOVXSKESA-N 294.307 0.229 0 50 CCAA O=C(NC[C@H]1CCNC[C@@H]1O)c1ccc2c(c1)OCO2 216862950 WNLAPABWFZWEOM-MNOVXSKESA-N 278.308 0.116 0 50 CCAA O=C(c1cccnc1)N1CCOC[C@@H]1c1ncon1 328992424 FSSFKBGPIHZUES-SNVBAGLBSA-N 260.253 0.678 0 50 CCAA CCn1ccnc(N2CCC(O)(C(F)F)CC2)c1=O 681673709 DWIJXYRJZWDMSP-UHFFFAOYSA-N 273.283 0.860 0 50 CCAA Nc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)[nH]n1 1704313448 NPONYNVYTWQALB-PWSUYJOCSA-N 287.323 0.374 0 50 CCAA Cc1ocnc1C(=O)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857711119 IGMLIZBENIRTPJ-VWYCJHECSA-N 266.297 0.595 0 50 CCAA COCC[C@H](C)S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 262454940 RLPYUJTYPCCYPZ-VHSXEESVSA-N 279.358 0.538 0 50 CCAA O=C(NCc1nc(-n2cnnc2)n[nH]1)c1ccccc1 1582939613 CZAZEIMOGMIUOQ-UHFFFAOYSA-N 269.268 0.315 0 50 CCAA COc1ccc(C(=O)N[C@H]2CNCC[C@H]2OC)c(O)c1 1772709216 JERZLTLWWXCXFT-WCQYABFASA-N 280.324 0.508 0 50 CCAA O=C(c1ccc(Cl)o1)N1C[C@H]2[C@H](C1)C2(CO)CO 1772818923 AXNMEKPJPFIRPZ-YUMQZZPRSA-N 271.700 0.606 0 50 CCAA O=C(c1cc2ccccn2c1)N1CCS(=O)(=O)CC1 266835306 NBUCLAUTQOKQIU-UHFFFAOYSA-N 278.333 0.810 0 50 CCAA CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N1CCCO1 14977492 XQTYQCJVIUIRRR-GFCCVEGCSA-N 281.356 0.307 0 50 CCAA Cc1nc2nc(CC(=O)O)nn2c(O)c1Br 18146001 CAASPFVVBXJIPK-UHFFFAOYSA-N 287.073 0.528 0 50 CCAA Cc1ccc(C[C@H]2CC(=O)N(CC(=O)O)C2=O)cc1 19735396 PVQBMRARXZDVQT-NSHDSACASA-N 261.277 0.997 0 50 CCAA CC[C@]12COC(=O)N1CCN(C(=O)Cc1[nH]cnc1C)C2 1857699146 PJOFJOPRXYGHHP-AWEZNQCLSA-N 292.339 0.704 0 50 CCAA O=C(NCCC(F)(F)F)[C@]12CNC[C@H]1CCOC2 912265005 CSVKDFVPHVASDU-SCZZXKLOSA-N 266.263 0.681 0 50 CCAA CCn1cc(C(=O)N2CCC[C@]2(COC)C(=O)NC)cn1 643950930 TYWMDAJSWZLAAW-AWEZNQCLSA-N 294.355 0.270 0 50 CCAA Cn1ncc2c(O)nc(N3C[C@@H](O)C4(CC4)C3)nc21 547960685 BLUKPDZIYKFTIE-MRVPVSSYSA-N 261.285 0.030 0 50 CCAA C[C@H]1C[C@H](C(=O)O)CN(C(=O)NCCCC(=O)N(C)C)C1 263386713 YDWBQSRHGPZJFM-QWRGUYRKSA-N 299.371 0.607 0 50 CCAA Cc1cc(C)nc(N2CC[C@@H](O)[C@@H](C(=O)O)C2)n1 1704297104 BFKQRKMUTZKHLP-VHSXEESVSA-N 251.286 0.365 0 50 CCAA O=C(C[C@]1(O)CCCNC1)NC[C@H](O)c1ccc(F)cc1 864091686 GZJGATRPXHKSGW-DZGCQCFKSA-N 296.342 0.480 0 50 CCAA CC(=O)N1CC(C(=O)N[C@H]2CCC[C@H]2Oc2cn[nH]c2)C1 952848080 AORBYZYOUQPPFJ-QWHCGFSZSA-N 292.339 0.304 0 50 CCAA O=C(NC1[C@H]2CCCC[C@H]12)[C@@H]1CC[C@H](C(=O)O)O1 1875260433 QWWSTDVOZYIBRI-AATLWQCWSA-N 253.298 0.923 0 50 CCAA O=C(c1occc1F)N1CCN(Cc2nc[nH]n2)CC1 1875310114 FAJSVQXSYZUQNP-UHFFFAOYSA-N 279.275 0.495 0 50 CCAA CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn[nH]1)C2 957818637 RQWQWBQGDNUYSM-AEJSXWLSSA-N 277.328 0.324 0 50 CCAA C=CC(=O)N1CCC[C@H](N2C[C@H](C)CS2(=O)=O)C1 1776006660 YXBOGMYZHDDZLZ-QWRGUYRKSA-N 272.370 0.445 0 50 CCAA N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 158438109 QCMHPROHTWIMSH-DTWKUNHWSA-N 293.289 0.347 0 50 CCAA O=S(=O)(c1cn[nH]c1)N1CCN(CC(F)(F)F)CC1 37745159 LLUOZNZNDQLCBW-UHFFFAOYSA-N 298.290 0.278 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2csc(C3CC3)n2)CCO1 178231981 XBGPVISZUWIEDT-SECBINFHSA-N 282.321 0.946 0 50 CCAA COCCOCC(=O)N1CC[C@@]2(CCCNC2)C1 67894463 WYTMQHVILGNXAQ-CYBMUJFWSA-N 256.346 0.252 0 50 CCAA CC(C)N1CC[C@@H](N=c2ccnc(N(C)C)[nH]2)C1=O 607146397 NOOLGEMMAHPAQW-SNVBAGLBSA-N 263.345 0.386 0 50 CCAA COc1ccnc(CN2CCC(O)(C(=N)O)CC2)c1 330488465 JWUHBYLOPVMEOH-UHFFFAOYSA-N 265.313 0.952 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1n[nH]cc1C 715444068 XTTXCCVISIETJL-GFCCVEGCSA-N 253.302 0.784 0 50 CCAA O=C(N[C@H]1CNC[C@H]1O)c1cccc(C(F)(F)F)c1 699921143 FJSLMKFNWOKECP-VHSXEESVSA-N 274.242 0.768 0 50 CCAA CC(C)CN1C[C@H](C(=O)N2CCC[C@@H](O)[C@H]2C)CC1=O 395413285 DDWWFZZBOVATIM-JHJVBQTASA-N 282.384 0.863 0 50 CCAA O=C(N=c1[nH][nH]c2c1CCNC2)C1CCC(F)CC1 2325795387 CUBJICUMDVVCAE-UHFFFAOYSA-N 266.320 0.944 0 50 CCAA O=C(NCC(F)(F)C1CC1)[C@]12CC[C@H](C1)[C@H](O)[C@@H]2O 2325805444 IVJSKPFJXTVZRK-WCXZBXRPSA-N 275.295 0.670 0 50 CCAA CN(C)C(=O)[C@@H](CNC(=O)C1(CN)CC1)c1ccccc1 2325805538 PLSVNIOGPMPMKC-ZDUSSCGKSA-N 289.379 0.714 0 50 CCAA NS(=O)(=O)c1ccc(CNC(=O)c2ccco2)cc1 226548 BWDQCIWVGDLCRA-UHFFFAOYSA-N 280.305 0.857 0 50 CCAA Cc1ccc(N[C@@H](C(N)=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 619537 OQEXPOXNCRKTCE-LLVKDONJSA-N 288.307 0.319 0 50 CCAA Cc1cc(=O)cc(C(=O)NC[C@@H](O)c2cccc(O)n2)o1 2356133853 HSPKHVPESDJACN-LLVKDONJSA-N 290.275 0.512 0 50 CCAA O=C(O)[C@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 3204425 ZWMZDKZTZLGVRQ-KOLCDFICSA-N 260.249 0.893 0 50 CCAA endogenous,in-man CN(C)CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 4834083 FOZDNYNZUJDCRH-UHFFFAOYSA-N 299.396 0.228 0 50 CCAA CC(C)NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 4868977 GCHQGIVACVMYSV-UHFFFAOYSA-N 277.367 0.777 0 50 CCAA Cn1ccnc1CN1CCN(C(=O)c2cc[nH]c2)CC1 109284995 GOVLTMRPULZBNR-UHFFFAOYSA-N 273.340 0.706 0 50 CCAA C[C@@]1(C(=O)O)CCN(C(=O)COCC(F)(F)F)C1 224844876 ZVCRSMFAXZNHIA-SECBINFHSA-N 269.219 0.889 0 50 CCAA C[C@@H](CNC(=O)CN1C(=O)CC[C@@H]1C)N1CCCCC1 27734462 QAZLCMKWZYNMJX-STQMWFEESA-N 281.400 0.988 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)C1=NN(C)C(=O)CC1 20204599 AIKYRIQGMTZAOW-JTQLQIEISA-N 277.328 0.386 0 50 CCAA Cn1[nH]c(CN2CCC[C@](O)(C(F)(F)F)CC2)nc1=O 329156707 CUBADJWRUWTJNA-SNVBAGLBSA-N 294.277 0.388 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)Cc2ccon2)[C@@H]1C(=O)O 424365071 GCGWIZZPCBGJHS-WPRPVWTQSA-N 288.325 0.690 0 50 CCAA CNCC(=O)NCCc1cnn(-c2ccccc2)c1 71752470 CNRNANBYOPJMPS-UHFFFAOYSA-N 258.325 0.750 0 50 CCAA O=S(=O)([C@@H]1CCOC1)N1CCO[C@H]2CCC[C@H]21 329585986 WPHXQXREURFDIG-MXWKQRLJSA-N 261.343 0.358 0 50 CCAA O=C(Cn1cnnc1O)N1CC[C@@]2(CCCOC2)C1 357098169 AKKZZHOXXZHPSE-LBPRGKRZSA-N 266.301 0.013 0 50 CCAA CCNC(=O)N1CC[C@@H](NC(=O)c2cccnc2S)C1 154052715 SKIJUQCBPQGNEE-SECBINFHSA-N 294.380 0.904 0 50 CCAA CCSc1ncc(CN2CCOC[C@@H]2CO)cn1 215231515 ACVJBORELBLJRF-NSHDSACASA-N 269.370 0.782 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)N1CC(=O)N(C2CC2)C1 335790621 PEZCXESEHUVPNN-MWLCHTKSSA-N 252.314 0.592 0 50 CCAA COc1ccccc1[C@@H]1CN(CCO)CCN1CCO 374533506 AJLRNDGFQCTRLX-AWEZNQCLSA-N 280.368 0.339 0 50 CCAA COCc1nc(CN2CCC3(CC2)CN(C)C(=O)O3)no1 77385977 YMEIOWAGBYSWSB-UHFFFAOYSA-N 296.327 0.633 0 50 CCAA N[C@H]1C[C@@H](C(=O)O)N(C(=O)c2cnc3c(c2)CCCC3)C1 77285596 MPNKKEGCFJAADB-AAEUAGOBSA-N 289.335 0.587 0 50 CCAA Cc1cc(N2CC[C@@H](NC(=O)c3ccc[nH]3)C2=O)n(C)n1 173011350 FGLWFVIVWPEIJE-LLVKDONJSA-N 287.323 0.592 0 50 CCAA CCc1nc(=NC2CC(N3CCOCC3)C2)s[nH]1 521398425 GVFBVWKMJHANGX-UHFFFAOYSA-N 268.386 0.798 0 50 CCAA CC1(C)OC[C@H]([C@@H]2O[C@@H](NO)[C@@H]3OC(C)(C)O[C@H]23)O1 48045970 FLWZKKRGBHCGBS-JDDHQFAOSA-N 275.301 0.362 0 50 CCAA O=C1CN(C(=O)C(=O)N2CCC[C@@H]2C2CCCC2)CCN1 334542592 WZSQSUPVPRKMGC-GFCCVEGCSA-N 293.367 0.126 0 50 CCAA Cc1nc(C)c(CNC(=O)[C@@H]2COC(=O)N2)s1 426574753 BNUQHTXXWWTZLH-ZETCQYMHSA-N 255.299 0.485 0 50 CCAA Cc1cnccc1CNC(=O)CN1CC[C@H](N(C)C)C1 220365385 HJWIXOZQJDMMQM-AWEZNQCLSA-N 276.384 0.642 0 50 CCAA CNC(=O)CSc1nnc([C@@H]2CCCNC2)n1C 426485955 BFHWNGWDIPCNSJ-MRVPVSSYSA-N 269.374 0.120 0 50 CCAA CC(C)N1CCC[C@@H](C(=O)NCCCc2nn[nH]n2)C1 426628166 GPEVDFLGWQEFGF-LLVKDONJSA-N 280.376 0.369 0 50 CCAA NC(=O)[C@@H]1CCCN(CCNc2cc(C3CC3)ncn2)C1 91445019 LNVBVVHKHOBGIZ-GFCCVEGCSA-N 289.383 0.963 0 50 CCAA Cc1cnc(CNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)[nH]1 426492780 JCGJMTZPADCZAT-SECBINFHSA-N 286.357 0.047 0 50 CCAA O=C(O)CNC(=O)N1CCN(CCc2ccccc2)CC1 426389194 BKSFWLGJEHSEEW-UHFFFAOYSA-N 291.351 0.641 0 50 CCAA CN1CCN(CC(=O)N2Cc3ccccc3C2)C1=O 95510067 GWCISSOQJXOMMI-UHFFFAOYSA-N 259.309 0.896 0 50 CCAA CC(C)[C@H]1N(c2nc(=N)[nH]c(=N)[nH]2)CC12CCOCC2 624279218 KFLKWIVCPFGKLQ-SECBINFHSA-N 278.360 0.338 0 50 CCAA CN1CCO[C@@H](CNC(=O)CCc2cccn2C)C1 534673918 WPHYYCKIRSQFNH-ZDUSSCGKSA-N 265.357 0.405 0 50 CCAA Cc1noc([C@@H](C)NC(=O)CCc2cnn(C)c2)n1 534587230 SMPABECHJNDQGC-MRVPVSSYSA-N 263.301 0.922 0 50 CCAA CNC(=O)[C@@H](NS(=O)(=O)N1CCCC1)c1ccccc1 823813575 OVPLMCUWAFTYFG-LBPRGKRZSA-N 297.380 0.404 0 50 CCAA CNc1ncccc1C(=O)N1CCN(C)[C@H](CCO)C1 584900543 VWPBNXXCCLOAQJ-LLVKDONJSA-N 278.356 0.262 0 50 CCAA CN1C(=O)[C@@H]2CCC[C@H]1CN(C(=O)c1nccn1C)C2 584888917 JNHXFTFQCQEVMI-MNOVXSKESA-N 276.340 0.503 0 50 CCAA CCNc1nc(C(=O)N2CCNC(=O)CC2)cs1 132409774 OBDNRECIFQCFEQ-UHFFFAOYSA-N 268.342 0.537 0 50 CCAA CCN1CC[C@@H](N2C(=O)N3CCC[C@]3(C)C2=O)C1=O 408517090 LHQWAWXBUZJWDC-NOZJJQNGSA-N 265.313 0.424 0 50 CCAA C[C@@H]1CN(c2ncnc(N)c2Cl)CC[S@@](=O)C1 277758737 KFBPVOMZAYDVLX-IWEMQMMOSA-N 274.777 0.917 0 50 CCAA O=C(NCCn1cccn1)c1cncc(Cl)n1 170607946 UTNWCOHZEBVVMY-UHFFFAOYSA-N 251.677 0.757 0 50 CCAA C[C@@H]1C[C@H](C(=O)NC[C@@H](n2cncn2)C(F)(F)F)CO1 633985056 VOSGJFXHSXXULT-HRDYMLBCSA-N 292.261 0.923 0 50 CCAA Cc1c(CNC(=O)Nc2cnns2)cnn1C 190792245 JDRSPRSDMQADPW-UHFFFAOYSA-N 252.303 0.902 0 50 CCAA COCCN1CCC[C@@H](NC(=O)c2cnc(C)nc2N)C1 668372517 KITNAVQWRSDFAB-LLVKDONJSA-N 293.371 0.208 0 50 CCAA OCC1(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)COC1 583616812 JHDSNNFTOCGLNC-UONOGXRCSA-N 281.327 0.942 0 50 CCAA C=CC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 585086954 YCPVOJSJMOTISJ-SNVBAGLBSA-N 272.370 0.493 0 50 CCAA CCn1cncc1S(=O)(=O)N1C[C@@H](N)C2(CCC2)C1 1615059019 UFRCVBQWSHAAKK-SNVBAGLBSA-N 284.385 0.405 0 50 CCAA Cn1cc(S(=O)(=O)N[C@H]2CCc3cc(F)ccc32)nn1 1615606420 XDNHWBKYKYUECR-NSHDSACASA-N 296.327 0.920 0 50 CCAA O=C(Nc1cc2n(n1)CCNC2)[C@H]1NCC12CCCC2 1649118315 CYIQZZFRIKJOFT-GFCCVEGCSA-N 275.356 0.457 0 50 CCAA CC(C)[C@@H]1CN(C)CCN1C(=O)c1cnnn1C 407955648 HPFPFADZZCXCME-NSHDSACASA-N 251.334 0.227 0 50 CCAA C[C@@]1(C(=O)NCCS(N)(=O)=O)C[C@H]2CC[C@H]1C2 629948708 HCXVSAFBZJRKAL-ATZCPNFKSA-N 260.359 0.217 0 50 CCAA COc1cnc(N2C[C@H](O)[C@H](Cc3cc(C)no3)C2)nc1 1704298806 KJUFDEYTGKRSTI-MFKMUULPSA-N 290.323 0.821 0 50 CCAA COC[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)CC1 331634625 LXXQCIUBIDUPLU-NSHDSACASA-N 287.385 0.857 0 50 CCAA COc1nc(NCc2nnc3n2CCC3)ncc1F 1704314844 WZBQMADHIXVGCF-UHFFFAOYSA-N 264.264 0.774 0 50 CCAA Cc1ccc([C@@H]2Cn3nnc(C(N)=O)c3CO2)cc1 1775973684 XJBJDIOXKQNBFA-NSHDSACASA-N 258.281 0.957 0 50 CCAA O=C(c1cncc(Cl)c1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772712639 XFZDMQVWMFXZIM-PHIMTYICSA-N 282.727 0.408 0 50 CCAA COc1nc(N2CCO[C@H]3C[C@H](CO)C[C@@H]32)ncc1F 1857731527 ULVBJEQDUGACHO-MIMYLULJSA-N 283.303 0.600 0 50 CCAA COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 408521676 GKAGCQOBFBLKEW-RYUDHWBXSA-N 294.351 0.623 0 50 CCAA COCCN1CN(C(=O)[C@H]2CCC[C@@H](OC)C2)CC1=O 329183604 OYFBNOAWXSJCMG-NWDGAFQWSA-N 284.356 0.466 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)c2ccc(Cl)o2)C1 643995772 OQYGJLZYEFKTLP-GFCCVEGCSA-N 286.715 0.776 0 50 CCAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)c1cncc(F)c1 356671304 JAXMSTCEBIGQQP-BZHVJNSISA-N 295.314 0.380 0 50 CCAA Cn1cc(C(=O)Nc2cccc(C(N)=O)n2)ccc1=O 358537784 QSGWSYOUYYMGQY-UHFFFAOYSA-N 272.264 0.132 0 50 CCAA COCCN1CCC[C@@]2(CCc3cnc(N)nc32)C1 1704339599 NLHXUACJJQXVNK-CQSZACIVSA-N 262.357 0.985 0 50 CCAA Cc1nn(CC(=O)N(C)[C@H]2CCNC2)c2ncccc12 911787026 GPYYSMMZJCPQDC-NSHDSACASA-N 273.340 0.560 0 50 CCAA O=C(NCCN1CCOCC1)NC1CCCCC1 12343511 IQNYLAQQGOFKEF-UHFFFAOYSA-N 255.362 0.951 0 50 CCAA CCc1cc(CC)nc(N2C[C@H](n3ccnn3)[C@H](N)C2)n1 952852750 QHQADFJPMLLSNN-OLZOCXBDSA-N 287.371 0.582 0 50 CCAA CO[C@@H](C)c1noc(CN2CC[C@@H]3CCNC(=O)[C@@H]3C2)n1 1875281606 KGEXRHSZUBEEEC-GARJFASQSA-N 294.355 0.735 0 50 CCAA CC(=O)N1CCC(NC(=O)N[C@H]2CCCCNCC2)CC1 1875269041 NVXQYMYTPMSJQK-ZDUSSCGKSA-N 296.415 0.829 0 50 CCAA COc1ccc(CC(=O)NS(C)(=O)=O)c(Cl)c1 1875391101 GJWSPGGYEJVSSK-UHFFFAOYSA-N 277.729 0.967 0 50 CCAA C[C@@H](C(=O)NC[C@@H]1CC[C@@H]2COCC[C@H]2C1)n1cnnn1 1875307851 NEASICMMWRTMCK-QNWHQSFQSA-N 293.371 0.803 0 50 CCAA O=C(O)[C@]1(O)CCCN(C(=O)[C@@]2(C(=O)O)CC=CCC2)C1 1875358201 MYZUOVXISWCQRX-KGLIPLIRSA-N 297.307 0.236 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCO)nn(C)c21 1875301760 SOKGAPVABXLRCN-SFYZADRCSA-N 253.302 0.164 0 50 CCAA C[C@@H](NC(=O)C1(C(N)=O)CC1)c1cnn(C2CC2)c1 1875396659 QGQIGQKVVMQDBY-MRVPVSSYSA-N 262.313 0.661 0 50 CCAA Cc1ccc(C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)s1 889646352 LRMBJVVXHIHOQW-ZDUSSCGKSA-N 292.364 0.927 0 50 CCAA Cn1nc(C(=O)NC2CCC3(CC2)C[C@H]3N)cc1O 1775961419 ZAFYZTVFCFOTBN-MDGUTJNFSA-N 264.329 0.516 0 50 CCAA C[C@H](CS(C)(=O)=O)NCCN1CCCCC1=O 405465367 BBTRQBSSPBCFPD-SNVBAGLBSA-N 262.375 0.022 0 50 CCAA CN(C[C@@H]1CC1(F)F)C(=O)c1cn2c(n1)CC[C@@H](N)C2 2325814009 BQTPABUYSKKFNH-DTWKUNHWSA-N 284.310 0.884 0 50 CCAA CC(C)(C)OC(=O)N1CC(=O)N2CCCC(=O)NC[C@@H]2C1 2325712124 PTADMIRKJJUSBD-SNVBAGLBSA-N 297.355 0.344 0 50 CCAA CCOC(=O)c1nc(C(=O)OCC)nc(C(=O)OCC)n1 478488 LKNPNZKIOSOWES-UHFFFAOYSA-N 297.267 0.402 0 50 CCAA CCCc1cnc(N2CCO[C@H](c3nn[nH]n3)C2)nc1 2356138697 QBLAILKWWIEDRH-JTQLQIEISA-N 275.316 0.520 0 50 CCAA Cn1cnnc1C1CCN(C(=O)[C@H]2CC[C@@H](N)C2)CC1 72480504 RSNCGHVHRMVFFR-NWDGAFQWSA-N 277.372 0.649 0 50 CCAA CN(CC1CC1)C[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 328643489 RHTJRENCOBQUBI-KGLIPLIRSA-N 282.384 0.592 0 50 CCAA Cc1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)nn1C 328632706 SAEIYJOMAZZCOX-ZWNOBZJWSA-N 289.339 1.178 0 50 CCAA COCc1nn(CCc2c(C)noc2C)c(=O)o1 330436531 AWMYFPMKPCHSDL-UHFFFAOYSA-N 253.258 0.830 0 50 CCAA CC(=O)c1[nH]c(C)c(C(=O)N2CCOC[C@H](O)C2)c1C 77337474 IDEKHCNFHZHLRP-LLVKDONJSA-N 280.324 0.667 0 50 CCAA Cc1nn(C)c2ncnc(NCCn3cnnc3)c12 72418649 SDYDMYUBDMLQFE-UHFFFAOYSA-N 258.289 0.375 0 50 CCAA CC1(C)NC(=O)N(c2cnn(C[C@@H]3CCCO3)c2)C1=O 367610947 YBIGVUQRBWUVAY-JTQLQIEISA-N 278.312 0.897 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)N[C@H]1CC(=O)N(C)C1 32580869 DENOICSLETVTPQ-WPRPVWTQSA-N 250.302 0.099 0 50 CCAA Cc1nc2n(n1)CCC[C@H]2NC(=O)/C=C/CN(C)C 492060601 WUEVLKZFEPQYLZ-OKPNEXGHSA-N 263.345 0.655 0 50 CCAA CCc1nncn1CCNC(=O)/C=C/CN(C)C 492046148 WUVGXIFEOYZREA-AATRIKPKSA-N 251.334 0.075 0 50 CCAA Cc1ccc(CN2C[C@@]3(C(=O)O)CNC[C@H]3C2=O)cc1F 72425051 OHLDTVQPDVLZCK-NHYWBVRUSA-N 292.310 0.767 0 50 CCAA CCn1cnnc1[C@H](C)NC(=O)c1cc(CO)ccn1 220067976 YLSGNTYXRRSTLM-VIFPVBQESA-N 275.312 0.676 0 50 CCAA CO[C@@H]1CCCN(C(=O)NCc2ccc(C(N)=O)o2)C1 176640251 VUMMUGKRRPRBCR-SNVBAGLBSA-N 281.312 0.699 0 50 CCAA Cc1ccc2nc(C)c(C(=O)N[C@H](C)c3nc(N)n[nH]3)n2c1 426628780 OYMOTPGLKUEGOQ-SECBINFHSA-N 299.338 1.142 0 50 CCAA CSc1ccc(CNC(=O)N[C@@H]2CCNC[C@H]2O)cc1 426739776 NRFIATFSJNBENH-CHWSQXEVSA-N 295.408 0.931 0 50 CCAA Cc1cnc(N)nc1N1CCC2(CC1)OCCC[C@H]2O 95353617 UPXFBRGAHHQKDL-LLVKDONJSA-N 278.356 0.878 0 50 CCAA Cn1cnc(S(=O)(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c1 91655853 QHSQBDWWCZMFGQ-VHSXEESVSA-N 299.352 0.151 0 50 CCAA COCC1(CNC(=O)CCS(C)(=O)=O)CCC1 337186404 PHIVSNIMDQYEGJ-UHFFFAOYSA-N 263.359 0.354 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H](C(=O)O)[C@H](C)O 95522639 XNEVPSJOOOZIEI-JOYOIKCWSA-N 297.355 0.665 0 50 CCAA CCNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 238937450 VMPFWOMVFGTYGX-GAIPPQHRSA-N 262.309 0.320 0 50 CCAA Nc1nnc(CCn2cc([C@H]3CCOC3)nn2)s1 92028288 SXLQFMVEADYGGP-ZETCQYMHSA-N 266.330 0.458 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 299751063 PJOKGPMDHBRLMV-GRYCIOLGSA-N 285.340 0.894 0 50 CCAA CN1CCC(O)(C(=O)NCC2(N(C)C)CCCC2)CC1 534656012 DTSLTTHWSAEFSB-UHFFFAOYSA-N 283.416 0.434 0 50 CCAA CC[C@@H](CNC(=O)c1cc(C)ncc1O)N1CCOCC1 534590257 UIPNSTKCWAPJQL-LBPRGKRZSA-N 293.367 0.936 0 50 CCAA O=C(O)CN1CCC(NC(=O)[C@H]2CC[C@@H](C(=O)O)C2)CC1 828517574 MCLBSFZVHLDGJA-VHSXEESVSA-N 298.339 0.153 0 50 CCAA CNC(=O)c1ccc(N(C)[C@H](CO)CC(C)C)nn1 274585041 BFUPSAFUIAYVIN-JTQLQIEISA-N 266.345 0.679 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)C[C@H]1C(N)=O 408039372 VHKSXCMDAZSMGT-KAMPLNKDSA-N 252.314 0.134 0 50 CCAA CC(C)S(=O)(=O)CC(=O)N1C[C@H](C)O[C@H](C2CC2)C1 408275948 DDNYISVGOOTPMT-JQWIXIFHSA-N 289.397 0.836 0 50 CCAA C[C@@H](CO)[C@@H](C)NC(=O)Cn1cc(C2CC2)nn1 305445444 PBTMVCSDPATBJP-DTWKUNHWSA-N 252.318 0.289 0 50 CCAA Cc1nnc(C(=O)NCCCc2cc[nH]n2)s1 170616502 PQMPYWSUYIJFOX-UHFFFAOYSA-N 251.315 0.932 0 50 CCAA Cc1cc(NC(=O)N2C[C@H]3COC[C@H]3C2)c(N(C)C)nn1 640348190 NIKXHEXIQDFZHN-PHIMTYICSA-N 291.355 0.961 0 50 CCAA CCc1ncnc(N2CCC[C@@](O)(c3cnn[nH]3)C2)c1F 583616877 POVFXRDZRIGSPM-ZDUSSCGKSA-N 292.318 0.784 0 50 CCAA O=C(COC[C@H]1CCCO1)Nc1ccn2nccc2n1 585125603 YIOQKNWVNFDZRX-SNVBAGLBSA-N 276.296 0.863 0 50 CCAA CN1CCN(Cc2cccc3c2OCO3)[C@H](CO)C1 585117278 XEGIGQQSURSNRE-LBPRGKRZSA-N 264.325 0.524 0 50 CCAA COc1cnc(C(=O)N2CCOC[C@]23CCOC3)nc1 556839323 AUQXLNMLMUXDRA-CYBMUJFWSA-N 279.296 0.117 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cncc(F)c1 644070083 AJQOKPLUGNFHHK-MCIONIFRSA-N 293.342 0.938 0 50 CCAA CC1(C)CNCC[C@H]1NC(=O)CS(=O)(=O)C(C)(C)C 562977745 MTKYBYHVEYNFPN-SNVBAGLBSA-N 290.429 0.704 0 50 CCAA Cc1ccncc1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1 651978761 DDBMJFTYZIOHMU-LLVKDONJSA-N 286.339 0.908 0 50 CCAA CCN1CCC[C@@H]1CN1CCN(S(=O)(=O)CC)CC1 1506424561 DFDSEWXRQXXJOY-CYBMUJFWSA-N 289.445 0.438 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(C)o1 1506429235 RPPINZAWCLLVAP-VIFPVBQESA-N 298.368 0.597 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)C3COC3)n[nH]c21 1857529324 PSUPPEQYWLGIQV-SFYZADRCSA-N 265.313 0.903 0 50 CCAA Cc1cccnc1CC(=O)NC[C@@H]1COCCO1 1857684976 MCKRUSGRWIZSLP-LLVKDONJSA-N 250.298 0.464 0 50 CCAA CC(=O)N[C@H](C)CC(=O)Nc1nnc2nc(C)ccn12 1529119075 RWWROMOOTZIVDT-MRVPVSSYSA-N 276.300 0.286 0 50 CCAA CCn1nc(C)c(C(=O)N2CC[C@H](N)[C@@H](O)C2)c1C 216942439 PCLXGCVZZMXDMQ-QWRGUYRKSA-N 266.345 0.054 0 50 CCAA O=C([C@@H]1CCCOCC1)N1CC(=O)N(C2CC2)C1 336367471 AHCNMGIQMGWNST-SNVBAGLBSA-N 252.314 0.594 0 50 CCAA CC1(C)CC(N2C[C@H]3CNC[C@@]3(CO)C2)CC(C)(C)N1 1772812686 OKFHBGZOLLTKPY-WBMJQRKESA-N 281.444 0.809 0 50 CCAA CNC(=O)c1[nH]cnc1-c1nnc2n1CCS[C@H]2C 1775981599 MISULTZAOTZKBD-LURJTMIESA-N 278.341 0.836 0 50 CCAA O=C1N(CC2CCC2)CCC[C@]1(O)CNCc1ccon1 12200673 BYPSTKVQSIZARO-HNNXBMFYSA-N 293.367 0.918 0 50 CCAA COc1ccc(CCN2C[C@@H](NC(C)=O)CC2=O)cc1 12207650 JVJKIWXIHPUMNQ-ZDUSSCGKSA-N 276.336 0.975 0 50 CCAA Cn1cc(CN2CCO[C@H]3C[C@H](CO)C[C@@H]32)cn1 1857722787 NYELKWPBTUKJGW-WXHSDQCUSA-N 251.330 0.392 0 50 CCAA Cc1cccc(CCN2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)n1 1857729795 GZFXPLDGALNECS-GJZGRUSLSA-N 289.379 0.864 0 50 CCAA O=C(c1ccco1)N1CCN(C(=O)N2CCOCC2)CC1 102825 PJTUJTQWUHSMDL-UHFFFAOYSA-N 293.323 0.490 0 50 CCAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O 556125 DOQDFWIQOVQQIL-GFCCVEGCSA-N 262.309 0.770 0 50 CCAA in-vitro CCN1CCN(C(=O)CCOC)C[C@@H]1c1nccn1C 328618180 DMWGZMICMTZQEU-GFCCVEGCSA-N 280.372 0.662 0 50 CCAA Cc1nc(N2CCN(CCO[C@H]3CCOC3)CC2)n[nH]1 931631568 LFSPQTJOXDUEHW-LBPRGKRZSA-N 281.360 0.041 0 50 CCAA C=CS(=O)(=O)CCC(=O)Nc1csc(C(N)=O)c1 952879450 IQHZUWCFZQNUBL-UHFFFAOYSA-N 288.350 0.734 0 50 CCAA Cc1ccc(S(=O)(=O)NC[C@@]23CNC[C@H]2C3)cc1 1875273921 IGOCRUWIFISUFQ-DGCLKSJQSA-N 266.366 0.883 0 50 CCAA CC(C)(C(=O)N[C@@H]1COC[C@@H]1n1ccnn1)[C@H]1CCCO1 1875392291 HNSGIZYDNBAWMP-GRYCIOLGSA-N 294.355 0.539 0 50 CCAA CN(C)c1noc([C@@]23CCCN2S(=O)(=O)CC3)n1 1875306279 ZECRLOXHBFXXIY-JTQLQIEISA-N 272.330 0.160 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC[C@@H](OC)C1(C)C 1875380704 XBRSFMXRLGAUMV-SNVBAGLBSA-N 254.330 0.657 0 50 CCAA CCCN1CCC(N2CCN(CCO)CC2)CC1 19362166 MYCPOOAVQJDCEJ-UHFFFAOYSA-N 255.406 0.471 0 50 CCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)Cc2cnn(C)n2)C1 886077859 KDPMNGFONIUCOV-KFWWJZLASA-N 293.415 0.889 0 50 CCAA CC(=O)N1C[C@@H](NS(C)(=O)=O)CC[C@H]1C(F)(F)F 886033094 BKSHPKIDIHUPKV-YUMQZZPRSA-N 288.291 0.477 0 50 CCAA O=C(c1coc(C2CC2)n1)N1CCS(=O)(=O)CCO1 1775328213 DABNGTOPPQGWCG-UHFFFAOYSA-N 286.309 0.354 0 50 CCAA C=CC(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1CC 1776007304 UEZHZUHMSVLLEF-NOZJJQNGSA-N 262.313 0.525 0 50 CCAA CC[C@@H]1CCCCN1C(=O)CN1CCNCC1=O 163361929 OAVYNJHHQUOVEH-LLVKDONJSA-N 253.346 0.209 0 50 CCAA Cn1cc(CCCNC(=O)[C@@H]2C[C@H]2C(=O)O)cn1 268910104 MRTBYBHWEOGBHH-NXEZZACHSA-N 251.286 0.190 0 50 CCAA C[C@]1(CO)C[C@H](O)CN1Cc1ccc(S(C)(=O)=O)cc1 639848968 KQLASQZGFKBQAS-GXTWGEPZSA-N 299.392 0.408 0 50 CCAA CC(=O)Nc1nc(C(=O)N2CCNC(=O)C[C@@H]2C)cs1 370996073 CGCUMMCZWHWAHO-ZETCQYMHSA-N 296.352 0.452 0 50 CCAA C[C@@H]1NC(=O)O[C@]12CCN(C(=O)Cc1cncnc1)C2 2325784170 FJAVTBDNTOMIHW-ZANVPECISA-N 276.296 0.119 0 50 CCAA C[C@@H](C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O 4327753 SYABYJUMIQCIRA-JTQLQIEISA-N 288.303 0.530 0 50 CCAA C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 4899429 FVSDTYGQCVACMH-SKLCBMLGSA-N 265.331 0.733 0 50 CCAA CCCC(=O)[C@@H](OC(C)=O)C(=O)C(C)(OC)OC 101173061 KYBYSKMLXIEUNQ-SNVBAGLBSA-N 260.286 0.865 0 50 CCAA CCc1cc(NCCNC(C)=O)nc(N2CCOCC2)n1 65454426 ONXUTBBGWLKXLT-UHFFFAOYSA-N 293.371 0.424 0 50 CCAA O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1CCN1CCOCC1 101815288 ZFVOIDZFVVBEQC-NWDGAFQWSA-N 298.770 0.836 0 50 CCAA CN(Cc1nc(=O)o[nH]1)C(=O)c1conc1C(F)(F)F 1363572363 RHHRXXKTEUFLGB-UHFFFAOYSA-N 292.173 0.642 0 50 CCAA CN(CC(=N)O)C[C@H]1CN(CC(F)(F)F)CCO1 328586581 HRYBSXQQYJOTBC-QMMMGPOBSA-N 269.267 0.717 0 50 CCAA Cc1cnccc1N1CCO[C@@H](CN(C)CC(N)=O)C1 367163489 COLIMBFOQFCMBQ-LBPRGKRZSA-N 278.356 0.012 0 50 CCAA Cn1ccnc1[C@H](O)C1CCN(C(=O)c2cn[nH]c2)CC1 214976033 FJGSOWQWAUJAAZ-GFCCVEGCSA-N 289.339 0.729 0 50 CCAA CC1(C(=O)N[C@H]2CCC(=O)NC2=O)CCCCC1 156482252 JNBIRIWPQKMVQL-VIFPVBQESA-N 252.314 0.878 0 50 CCAA Cc1c[nH]c(C(=O)N2CCC[C@](O)(CN(C)C)C2)n1 216962484 JCRUGTDULBAWCK-ZDUSSCGKSA-N 266.345 0.247 0 50 CCAA Cc1noc(COCC(=O)N2CCC[C@@H](C(=O)O)C2)n1 261911837 YFTPVRAOJINOPG-SECBINFHSA-N 283.284 0.218 0 50 CCAA Cc1cc(CC(=O)N2CC[C@@H](N)C(C)(C)C2)n[nH]1 262181271 ZCQCKDPBLXYVGY-LLVKDONJSA-N 250.346 0.846 0 50 CCAA CCCN(C(=O)c1ccncc1F)[C@@H]1CC(=O)N(C)C1=O 283413359 FLEBIZGZCFVEGN-LLVKDONJSA-N 293.298 0.830 0 50 CCAA CCc1nn(C)c(CC)c1CN1C[C@@H](OC)C[C@H]1C(N)=O 284602707 PZABWTZWQMHYLN-HZMBPMFUSA-N 294.399 0.620 0 50 CCAA CCOc1ccc(C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1 285482657 LFQZGIVRKIVBTH-OAHLLOKOSA-N 292.335 0.538 0 50 CCAA Cn1cccc1C(=O)N1CCC[C@]2(CNC(=O)O2)C1 221322905 AREYPFIYAFIMNP-ZDUSSCGKSA-N 263.297 0.740 0 50 CCAA CCc1noc(CNC(=O)N2CCO[C@@H](CCOC)C2)n1 426623201 JYIFOBRTUGRVKX-JTQLQIEISA-N 298.343 0.579 0 50 CCAA CCc1cc(C(=O)NC[C@@H]2CCCO2)cc(=O)[nH]1 97447011 LVXJGJILVSZUQB-NSHDSACASA-N 250.298 0.846 0 50 CCAA CO[C@@]1(C)C[C@@H](O)C12CCN(CCC(=O)O)CC2 91645024 PETSFLKOCFJSFT-PWSUYJOCSA-N 257.330 0.713 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)O)[C@H]2C1 97758886 ZMNHADCKOZUFOT-IWSPIJDZSA-N 257.286 0.953 0 50 CCAA Cc1nn(C)c2nc(N[C@@H]3C[C@@H](CO)N(C)C3)sc12 96160536 ZJODGTDHTBGUBJ-BDAKNGLRSA-N 281.385 0.815 0 50 CCAA COCCN1C[C@H](C(=O)N(C)CCN2CCCC2)CC1=O 343495727 STQCYPMOAPMTFA-CYBMUJFWSA-N 297.399 0.036 0 50 CCAA CCn1cc(NS(=O)(=O)c2cn(C)cn2)cn1 299634865 TYZRUCLYXHYMAR-UHFFFAOYSA-N 255.303 0.437 0 50 CCAA CN(Cc1cnc(NCC(=O)O)nc1)[C@@H]1CCCC[C@@H]1O 534675382 DIFLJWCSNUUJHA-NEPJUHHUSA-N 294.355 0.708 0 50 CCAA NC(=O)[C@H](O)C1CCN(C[C@H](O)Cc2ccccc2)CC1 299752758 VIWUXWLTNDVEDS-HUUCEWRRSA-N 292.379 0.148 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1cncc(F)c1 534639224 FYJGMXORHARBFS-QWRGUYRKSA-N 254.261 0.754 0 50 CCAA CC(C)C[C@H](NC(=O)Cn1ccnc1)c1ncnn1C 534634272 MAZREXHZYARQEP-NSHDSACASA-N 276.344 0.915 0 50 CCAA CC(C)N1CC[C@H](CNC(=O)CCS(C)(=O)=O)C1 623485643 QWXJBVJVGZWAOH-LLVKDONJSA-N 276.402 0.268 0 50 CCAA CC(C)n1cnnc1CCNC(=O)COC[C@H]1CCCO1 299773352 FLWUVINKVSVTQR-GFCCVEGCSA-N 296.371 0.713 0 50 CCAA CN(C)[C@@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1 823727398 VBLXLVHABVWPIV-RDBSUJKOSA-N 287.363 0.259 0 50 CCAA Cc1nc(N)[nH]c(=NCCN2CCC(CO)CC2)c1Cl 584895808 AKFFXEICLBOKNX-UHFFFAOYSA-N 299.806 0.559 0 50 CCAA Cc1cc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3C)on1 670438151 HLYHULWXFYROEI-UHFFFAOYSA-N 292.339 0.841 0 50 CCAA CO[C@H](C1CC1)[C@@H](C)NC(=O)[C@@H]1CCCCC(=O)N1 408520588 NFZKGXGCILLDKP-CDMKHQONSA-N 268.357 0.975 0 50 CCAA CC(C)SCCN1CCN2CCS(=O)(=O)C[C@H]2C1 408524051 PQUAKTIWFDFBSM-GFCCVEGCSA-N 292.470 0.543 0 50 CCAA C[C@H]1CN(C(=O)Cn2cnnc2)C[C@]1(O)C1CCC1 1565516926 QSVJYLMSQWQKJE-GXFFZTMASA-N 264.329 0.288 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2cccnn2)CC1 190953589 ZKGXPIKPGYUZNM-STQMWFEESA-N 290.367 0.940 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CC(=O)NC2CC2)C1 643859350 BOWMWXZUVYZCBY-MNOVXSKESA-N 264.329 0.450 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccc(F)cn2)C1 644034647 WOVUJQCSLPJTDE-CQSZACIVSA-N 295.314 0.324 0 50 CCAA CC1(C)C[C@H]1NC(=O)N1CC[C@@H](n2cc(C(N)=O)nn2)C1 644329875 UBLFGJMMYFNGSS-PSASIEDQSA-N 292.343 0.132 0 50 CCAA O=C(COCC1CC1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 583620433 NXLUGJQHRMKNHV-MJBXVCDLSA-N 283.368 0.801 0 50 CCAA O=C(NCc1n[nH]cc1Br)[C@]12CC[C@H]1CNC2 1775484353 PPGRWXAJYJIGBM-CPCISQLKSA-N 299.172 0.788 0 50 CCAA Cc1cc(C)nc(CNC(=O)c2c[nH]c(=N)s2)n1 1857682852 PFAGSSSPMXDPCY-UHFFFAOYSA-N 263.326 0.893 0 50 CCAA CO[C@H](C)c1nnc(NC(=O)CN2CCOC2=O)s1 1506397156 ZTIPNQWYHHJJCL-ZCFIWIBFSA-N 286.313 0.636 0 50 CCAA O=C(NCC1CCN(c2cnsn2)CC1)[C@@H]1CCOC1 1506410862 GGCWLCDOQWSCQX-LLVKDONJSA-N 296.396 0.907 0 50 CCAA COC[C@@H](c1ccccn1)N(C)CCS(C)(=O)=O 1506418169 QTPITMFBLSIMTP-LBPRGKRZSA-N 272.370 0.746 0 50 CCAA CCN1C[C@@H](CN(C)c2nc(C)cc(C(=O)O)n2)CC1=O 1529167300 IRPIVRPEINSEQB-SNVBAGLBSA-N 292.339 0.788 0 50 CCAA CCc1noc(NC(=O)[C@H](C)n2cnnn2)c1C 1704352524 UAHUNTAYDJZDFR-ZETCQYMHSA-N 250.262 0.732 0 50 CCAA NCCCC[C@H](NC(=O)c1ccccc1)C(=O)O 2390909 IYHOIXNPULYXFO-NSHDSACASA-N 250.298 0.999 0 50 CCAA in-vitro Cc1cc(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)ns1 332642740 KQMLYRVSKODWRS-SECBINFHSA-N 288.394 0.958 0 50 CCAA C[C@]1(CNC(=O)[C@H]2CSCN2)CCCC[C@H]1O 246584937 IEYSRVXBBJQVFK-CKYFFXLPSA-N 258.387 0.706 0 50 CCAA CN(C)CCC[C@@H]1CN(C(=O)C2(C(=O)O)CC2)CCO1 585095655 YRNALPHAXCBQNQ-LLVKDONJSA-N 284.356 0.420 0 50 CCAA O=C1CO[C@@]2(CCN(C(=O)c3ncc(F)cc3F)C2)CN1 1772816707 SRCSUCVMMRBWNO-ZDUSSCGKSA-N 297.261 0.091 0 50 CCAA Cc1nccn1C[C@H](C)N1C[C@H]2[C@H](C1)C2(CO)CO 1772807266 LHIBRWZOABQKID-DRZSPHRISA-N 265.357 0.113 0 50 CCAA C[C@H](Cn1cccn1)NC(=O)C1(C)CCNCC1 19143573 CIGUMZVOUQTDFG-LLVKDONJSA-N 250.346 0.778 0 50 CCAA COc1ccccc1-n1nc(C(=O)O)c(O)cc1=O 19946669 ZGCYGHHFLFFPEE-UHFFFAOYSA-N 262.221 0.645 0 50 CCAA O=C(CCC(F)(F)F)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1857683045 QQCVCQHFYCMWRC-FIRGSJFUSA-N 281.274 0.919 0 50 CCAA CN1CCO[C@H](Cn2ccnc2-c2cc[nH]c(=N)c2)C1 1857730718 VNNCQUJZYLJILP-LBPRGKRZSA-N 273.340 0.688 0 50 CCAA CN1CCN(C(=O)C2(O)CCCC2)C[C@@H]1c1nccn1C 328633910 SVMUCJPWIGBGIY-GFCCVEGCSA-N 292.383 0.540 0 50 CCAA CC1=C(C)CN(C(=O)[C@H]2Cn3c(C)nnc3CN2C)CC1 644456903 YSUNYTDTFPURGH-CYBMUJFWSA-N 289.383 0.969 0 50 CCAA C[C@@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@H]1CN 237450721 ZQIRPZMXDNGBTJ-PWSUYJOCSA-N 273.340 0.929 0 50 CCAA O=C(NCCc1cscn1)[C@H]1CCc2nnnn2CC1 575321829 KUTARDOJUIUMLL-VIFPVBQESA-N 292.368 0.441 0 50 CCAA N[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)C1 157935393 ACEWPFZFJLMMFR-GFCCVEGCSA-N 271.324 0.831 0 50 CCAA C[C@H](C(=O)O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 263549881 JYQRASKLDMVFCP-VHSXEESVSA-N 276.292 0.629 0 50 CCAA COc1cc(C)nc(N2CCN(CCC(=O)O)C[C@@H]2C)n1 910456549 PTHDWDYLMYIPMO-NSHDSACASA-N 294.355 0.779 0 50 CCAA Cn1nnc2c(=O)n(C[C@@H]3CC3(Cl)Cl)cnc21 842587623 FEEJJDSAQWQFMC-YFKPBYRVSA-N 274.111 0.719 0 50 CCAA Cc1ccc(O)c(CN2CCC[C@@](O)(c3cnn[nH]3)C2)n1 1775958870 NVQPPUXSPPPWBT-AWEZNQCLSA-N 289.339 0.697 0 50 CCAA Cn1cc(-c2cn(CCO[C@@H]3CCOC3)nn2)cn1 899735612 NNXPSVRHLRJQCA-LLVKDONJSA-N 263.301 0.484 0 50 CCAA OC[C@@H]1CCCN1C[C@H]1CCCN1C[C@H](O)C(F)(F)F 253370479 RHFGWICGQBWPCV-WOPDTQHZSA-N 296.333 0.831 0 50 CCAA CN1CCO[C@@H]2CN(c3ncnc(N)c3Cl)C[C@@H]21 377989358 PRJMSNQIBAGTHY-JGVFFNPUSA-N 269.736 0.231 0 50 CCAA CCN1CCn2c(CN3CCCCC3)nnc2C1=O 2100473666 SOWKAJCQPHHLRP-UHFFFAOYSA-N 263.345 0.740 0 50 CCAA Cn1cc(NC(=O)N=c2nc(C3CC3)[nH]s2)nn1 2325781883 YSJWFCGFNRZFAK-UHFFFAOYSA-N 265.302 0.610 0 50 CCAA COC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 379955 JUZLAFVLDPHHMC-UHFFFAOYSA-N 273.310 0.634 0 50 CCAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C 556175 IEIGHVVRJBQGSY-MRVPVSSYSA-N 272.301 0.285 0 50 CCAA CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 1708202 LHSGPCFBGJHPCY-STQMWFEESA-N 294.351 0.878 0 50 CCAA endogenous,in-man O=C(Nc1ccc(Cl)cc1Cl)[C@@H](O)[C@@H](O)C(=O)O 3080956 MQVYPODHCWDACC-JGVFFNPUSA-N 294.090 0.738 0 50 CCAA COc1ccccc1[C@@H]1CC(=O)Nc2nc(N)[nH]c(=O)c21 4944778 IWVLDALWLCXFNS-QMMMGPOBSA-N 286.291 0.835 0 50 CCAA Cn1c(=O)[nH]c(=O)c2c1nc1[nH]c(C(C)(C)C)cn12 9418629 LASASSFXTIQKCH-UHFFFAOYSA-N 261.285 0.500 0 50 CCAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)CN)C3)cc1 67540067 LGNXNRLGYGMDTE-UHFFFAOYSA-N 298.346 0.877 0 50 CCAA CC(=O)N1CCC(NCCCN2CCOCC2)CC1 32917418 TZYZRTXTLTXIAR-UHFFFAOYSA-N 269.389 0.309 0 50 CCAA COCCN1CN(C(=O)N=c2cc[nH]c(C)c2)CC1=O 330423933 CDCBMYASQQULKP-UHFFFAOYSA-N 278.312 0.092 0 50 CCAA COC(=O)c1cn([C@H](C)C(=O)OC)cc2c(O)nnc1-2 409415687 XRTBNQYUULRWJA-ZCFIWIBFSA-N 279.252 0.609 0 50 CCAA CSCCCN1CCO[C@@H](c2nncn2C)C1 328635012 NBGRXWSAJKFNFC-SNVBAGLBSA-N 256.375 0.942 0 50 CCAA COC(=O)c1cccc(NC(=O)N[C@H]2CCNC2)c1 414877156 LMXIALLZBSQCRR-NSHDSACASA-N 263.297 0.957 0 50 CCAA CSCC[C@@H](O)C(=O)NCC1(Cn2cccn2)CC1 219068459 PAXPGBYAVMECKC-LLVKDONJSA-N 283.397 0.894 0 50 CCAA C[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)[C@H]1C(=O)O 235618794 QSGHAAXOCGKHED-GZMMTYOYSA-N 264.281 0.700 0 50 CCAA OC[C@@H]1C[C@@H](O)CN1CC1=Cc2ccccc2OC1 364324179 LJTXBXOTKOEKPA-UONOGXRCSA-N 261.321 0.890 0 50 CCAA COCCC1(C(=O)NCc2nnc(S)n2C)CCC1 154933776 MYCNOTYNICETGJ-UHFFFAOYSA-N 284.385 0.927 0 50 CCAA CN(C)C[C@]1(O)CCN(C(=O)c2cc(Cl)c[nH]c2=O)C1 72135378 WSONDGJRVRYXCD-CYBMUJFWSA-N 299.758 0.167 0 50 CCAA CN1C(=O)[C@@H]2CN(Cc3ccc4c[nH]nc4c3)CCN2C1=O 369419494 RTMHSZDIMQCBFD-ZDUSSCGKSA-N 299.334 0.641 0 50 CCAA C=CC(=O)NCCC(=O)NC1(CC)CCOCC1 490645914 QUNSGMJIWCGBQI-UHFFFAOYSA-N 254.330 0.754 0 50 CCAA C[C@H]1CN(c2ccnc(C(=O)NCCO)c2)C[C@@H](C)O1 72169460 MBDWBNBKEKOWBT-PHIMTYICSA-N 279.340 0.417 0 50 CCAA Cc1cc(C(=O)N[C@@H](C)C(=O)O)c2c(C)nn(C)c2n1 262484998 FDVYZQMTZTYTKR-QMMMGPOBSA-N 276.296 0.788 0 50 CCAA CC(C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 70237858 GVDGWRPWQZRFJH-UHFFFAOYSA-N 292.382 0.745 0 50 CCAA C[C@@H](C(=O)N1CCOC[C@H]1C(=O)O)C1CCOCC1 263233163 CADREHRGZHHUPP-KOLCDFICSA-N 271.313 0.361 0 50 CCAA Nc1nnc(SCC(=O)NC[C@@H]2CCOC2)s1 222293762 GSKMYSZEENTJDL-LURJTMIESA-N 274.371 0.365 0 50 CCAA COc1cc(C)nc(CN2C[C@H](F)C[C@H]2C(N)=O)c1 284461774 AARKWPDDDVYPEJ-SKDRFNHKSA-N 267.304 0.796 0 50 CCAA O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(F)cc1 222256650 PTRCHJYTVZWXFU-FJJYHAOUSA-N 289.262 0.631 0 50 CCAA Cc1nc(CCNC(=O)[C@@H](C)N(C)C)nc2c1CCC2 426656896 GTZWZPONOKRIRY-LLVKDONJSA-N 276.384 0.883 0 50 CCAA CSCC[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 244659796 HIWBZTSNLZFSAZ-FBDQPXRJSA-N 295.360 1.000 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)CS(=O)(=O)C2CCCC2)C1 299745346 YFDHQXNMLXRBLV-SECBINFHSA-N 289.353 0.277 0 50 CCAA COCCC1(C(=O)N2CCO[C@H](C(=O)O)C2)CCCC1 299745823 SQTQDAWOYJXYAM-NSHDSACASA-N 285.340 0.895 0 50 CCAA Nc1n[nH]c(CCNC(=O)COCc2ccccc2)n1 534587263 CDUOBPQECLKSOE-UHFFFAOYSA-N 275.312 0.262 0 50 CCAA CC[C@@H](NC(=O)CSc1nnc(C)o1)c1ncnn1C 534634819 ULXVGMIKKZZSMO-MRVPVSSYSA-N 296.356 0.866 0 50 CCAA CN(C)C(=O)CNC(=O)N(C)CC[C@@H](O)c1ccccc1 534584093 HNNQFNVXSFRQES-CYBMUJFWSA-N 293.367 0.840 0 50 CCAA CN(C)[C@@H]1C[C@H]2C(=O)Nc3ccc(F)cc3C(=O)N2C1 534585422 LRCWCJSJHOUIGK-SKDRFNHKSA-N 277.299 0.923 0 50 CCAA CCn1cc(CNC(=O)N2CC[C@@H](CO)C2)cn1 357968777 QGTSHMLRRBFOKF-SNVBAGLBSA-N 252.318 0.427 0 50 CCAA CCN1CCCC[C@H]1CNC(=O)NCCC(=O)O 818208132 VZACPHBIBCKQOV-JTQLQIEISA-N 257.334 0.635 0 50 CCAA CN(C)C(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N(C)C2 823633852 XEVMFHYILGEEBY-RYUDHWBXSA-N 282.388 0.200 0 50 CCAA O=C1N[C@@H](C2CCCCC2)C(=O)N[C@H]1Cc1cnc[nH]1 584897279 LDNFKZBBVPGKDM-RYUDHWBXSA-N 276.340 0.516 0 50 CCAA CCc1ncc(CN2CC[C@@H](CC(=O)NC)C2)cn1 670453656 QZTXDQOBQNPMCR-NSHDSACASA-N 262.357 0.997 0 50 CCAA CN(CCCn1cccn1)[C@@H]1CCNC(=O)CC1 670453691 PJNRNYNLYBRNML-LBPRGKRZSA-N 250.346 0.874 0 50 CCAA CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)CC1 685945224 LCTCSEULZXTZKK-CHWSQXEVSA-N 276.340 0.214 0 50 CCAA O=C(NCc1ccccc1)N1C[C@@H](O)C[C@H]1CO 185748433 FRCZVEZJSNMNJZ-RYUDHWBXSA-N 250.298 0.324 0 50 CCAA COC(=O)N1CC(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 170591964 SEEVVJKLNZWFEL-MXWKQRLJSA-N 254.330 0.840 0 50 CCAA Cn1cc(Cl)c(C(=O)N2CCNC[C@@](C)(F)C2)n1 638255155 YEZJNCYNWFQZTK-LLVKDONJSA-N 274.727 0.847 0 50 CCAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 189055060 NNERLBXHVXPKIV-SCVCMEIPSA-N 268.357 0.832 0 50 CCAA Cc1noc(CCNC(=O)[C@H]2CCCO[C@H]2C)n1 190717657 XSTLBALMOBGDJF-WPRPVWTQSA-N 253.302 0.852 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1ccon1 643827192 ALIDGDLYJHMZSM-LBPRGKRZSA-N 253.302 0.402 0 50 CCAA COc1ncncc1CN[C@@H]1CCO[C@@]2(CCOC2)C1 647198577 NDHVJWOWGAALSL-OCCSQVGLSA-N 279.340 0.913 0 50 CCAA CCS(=O)(=O)C1CN(c2nc(C)nc(C)c2F)C1 569674612 IDDKFYLMKNVTFN-UHFFFAOYSA-N 273.333 0.856 0 50 CCAA COc1nn(C)cc1CNC(=O)[C@]12CCC[C@H]1NCC2 1615554088 JQHLQIFZWWYEQG-RISCZKNCSA-N 278.356 0.577 0 50 CCAA N[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 1771855904 JBSWSQQINLGISM-NDBYEHHHSA-N 279.384 0.631 0 50 CCAA CCN(CCN1CCOCC1)c1nccnc1OC 1529187527 UOAVAQYZZWMQJL-UHFFFAOYSA-N 266.345 0.644 0 50 CCAA COC(=O)[C@@H]1CC12CCN(C(=O)c1cnns1)CC2 408158287 MYWIERVUUATZCX-QMMMGPOBSA-N 281.337 0.953 0 50 CCAA CO[C@H](C)c1noc(Cn2cnc(C)c(C)c2=O)n1 331060748 BUOSEEJLMMXRLW-SECBINFHSA-N 264.285 0.999 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N2CC[C@H](N)C[C@@H]2C)c1 236722525 NEDPZBDSCWGHKY-QWRGUYRKSA-N 286.401 0.964 0 50 CCAA CN(CC(F)(F)F)C(=O)CN1CCC[C@H]1C(=O)O 237131428 XKEWOFFIBIURIT-ZETCQYMHSA-N 268.235 0.556 0 50 CCAA C[C@H]1CN(C(=O)[C@H]2CCCN2)CCN1CC(F)(F)F 237630545 KRTXNQAVPJJCDH-VHSXEESVSA-N 279.306 0.833 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)c1cn(C(C)C)nn1 340036128 KCNIIVLGIBUPRF-SNVBAGLBSA-N 265.317 0.210 0 50 CCAA O=C(O)[C@H]1CCCN(S(=O)(=O)N2CCCC2)C1 20255155 LWOASKLVDJFMEW-VIFPVBQESA-N 262.331 0.124 0 50 CCAA in-vitro CC(C)(C)OC(=O)NCCCNC(=O)CCCN 1772575842 RZTVTIHLKRTBSD-UHFFFAOYSA-N 259.350 0.756 0 50 CCAA CN=c1[nH]nc(C2CCN(S(C)(=O)=O)CC2)s1 1857526116 NMUURXSNZDXVPX-UHFFFAOYSA-N 276.387 0.141 0 50 CCAA CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2CN 15809921 AVTBCTQHGBMWTA-SOYHJAILSA-N 259.302 0.342 0 50 CCAA Cc1ccc(CNC(=O)CN2CC[C@@H](N(C)C)C2)o1 19841520 JYBUJNKEHUEAAN-GFCCVEGCSA-N 265.357 0.840 0 50 CCAA CN(CC1CC1)C[C@H]1CN(Cc2cnnn2C)CCO1 328641286 QOLWCAGQYWYWTM-AWEZNQCLSA-N 279.388 0.358 0 50 CCAA CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1nn[nH]n1 630940538 HSSRUXQHGQFDBR-MNOVXSKESA-N 278.360 0.218 0 50 CCAA C[C@H]1CN(CCNC(=O)c2nc[nH]c3nccc2-3)CCO1 667815663 YSAGUPQIHXTQSY-JTQLQIEISA-N 289.339 0.360 0 50 CCAA Cc1cnc(C(=O)N[C@H](C)CN2CCN(C)CC2)cn1 264417100 JESHZGHDOOXPDE-GFCCVEGCSA-N 277.372 0.151 0 50 CCAA COC(=O)/C=C/CNC(=O)CCc1nc(C(C)C)no1 1875311601 GPCFQSVAEOHFSH-SNAWJCMRSA-N 281.312 0.971 0 50 CCAA CC1(O)CC(C(=O)N[C@H]2CCC[C@H]2Oc2cn[nH]c2)C1 1775957673 HNQVSUWPVHMILJ-PUHCBVPISA-N 279.340 0.987 0 50 CCAA CCCn1nccc1C(=O)N1CC[C@H](C(=O)O)C1 565248990 RUSMWOSULPIWJK-VIFPVBQESA-N 251.286 0.840 0 50 CCAA COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 248654916 VOHNDIOFIOFVDG-HBNTYKKESA-N 294.282 0.277 0 50 CCAA NS(=O)(=O)c1cc(C(=O)O)ccc1Br 366462 XDNAVLYDHZTCRB-UHFFFAOYSA-N 280.099 0.795 0 50 CCAA CCOC(=O)C(=O)Nc1ccccc1C(=O)OC 4549618 XYNVBHZKXLHYTK-UHFFFAOYSA-N 251.238 0.975 0 50 CCAA CC(C)(CO)[C@@H](O)C(=O)NCc1ccc(C(=O)O)cc1 4728762 VUHLHICUIYPFET-NSHDSACASA-N 281.308 0.380 0 50 CCAA CN(C)N1C(=O)C[C@H](Nc2ccc(F)cc2)C1=O 104970415 RSBQRTBKNWAGQP-JTQLQIEISA-N 251.261 0.842 0 50 CCAA C[S@](=O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O 309036 QYXFLPXRIFFGJI-WVDJIFEKSA-N 295.316 0.504 0 50 CCAA biogenic Cc1ccc(CS(=O)(=O)NC[C@H]2CC(=O)N(C)C2)cc1 74863367 JSFLIZQAEQVLHQ-CYBMUJFWSA-N 296.392 0.893 0 50 CCAA CCOC[C@H](O)CN1CCC[C@@H](c2ccn[nH]2)C1 229674972 DZIBZSDWOXKWTI-VXGBXAGGSA-N 253.346 0.987 0 50 CCAA C[C@]1(C(=O)NCCc2nnc(N)s2)CCCO1 219217102 NTNHOIXQEHYGRD-SNVBAGLBSA-N 256.331 0.348 0 50 CCAA CCCS(=O)(=O)N1CCN(c2ccc(C)nn2)CC1 35597975 VNIRTSDVPLAIEK-UHFFFAOYSA-N 284.385 0.647 0 50 CCAA COC[C@H](O)CNc1nc(C)nc2c1cnn2C 72171143 LUWGMNMKKFAJOU-MRVPVSSYSA-N 251.290 0.091 0 50 CCAA CO[C@@H](C)CC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 328621077 AFNCBBHCQHKHDM-GXTWGEPZSA-N 284.400 0.981 0 50 CCAA Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 152576588 VCSPIORCHLZZRH-LDYMZIIASA-N 279.340 0.989 0 50 CCAA CCc1ccnc(C(=O)NC2(C(N)=O)CCOCC2)c1 361048135 JJWRVSMKXVSUBP-UHFFFAOYSA-N 277.324 0.408 0 50 CCAA C[C@H](c1ccccc1)N1CCO[C@@H](CN(C)CC(N)=O)C1 281996715 IMTGCYVTSQUUFW-HIFRSBDPSA-N 291.395 0.866 0 50 CCAA CC[C@@H](NC(=O)c1ccc(=O)n(C)n1)[C@H](O)C(F)(F)F 330544461 BJMZVSLPIDLDMM-MUWHJKNJSA-N 293.245 0.212 0 50 CCAA CCN(C)Cc1cc2n(n1)CCN(CCC(N)=O)C2 72480518 GTMGTNQPNWPUTN-UHFFFAOYSA-N 265.361 0.026 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N[C@H](C(=O)O)C(C)C 262164986 UCFYGIOGRQGBEX-QMMMGPOBSA-N 275.330 0.116 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)C[C@H]1CCCCO1 128226247 IXDKYHUTLHPAFH-GHMZBOCLSA-N 271.313 0.648 0 50 CCAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1O 44169797 VVSWDMJYIDBTMV-NKTODWNOSA-N 282.292 0.194 0 50 CCAA CN(C(=O)CCCN)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 237262404 VQWWOPWSWAIGTQ-MNOVXSKESA-N 276.402 0.540 0 50 CCAA Cn1ccnc1SCCNC[C@]1(O)CCCNC1 77505283 HCYNJHJETUWMHB-LBPRGKRZSA-N 270.402 0.216 0 50 CCAA CCN(Cc1noc(C)n1)C(=O)CN1CCC[C@H](O)C1 220353431 SEUINSWIZGXVPH-NSHDSACASA-N 282.344 0.183 0 50 CCAA C[C@H]1CN(C2CCN(Cc3nccc(N)n3)CC2)CCO1 177947298 HYHVLRAFTFCXQO-LBPRGKRZSA-N 291.399 0.744 0 50 CCAA Cc1nonc1OCCNC(=O)c1ccn(C(C)C)n1 426421047 DEDZRRLPAKPUNP-UHFFFAOYSA-N 279.300 0.964 0 50 CCAA Cn1cc(N2CCN(C(=O)[C@@H]3CCC[C@@H](N)C3)CC2)cn1 237691929 NCGAZHACCZGYCC-CHWSQXEVSA-N 291.399 0.586 0 50 CCAA COc1ccsc1S(=O)(=O)N1CCC[C@@H]1CN 237119293 NPPGXLKGFUMPGY-MRVPVSSYSA-N 276.383 0.869 0 50 CCAA CNC(=O)c1ccc(Cn2cc([C@@H]3CCOC3)nn2)o1 92036699 PUAZKBJDZXQDIH-SECBINFHSA-N 276.296 0.783 0 50 CCAA COCC[C@]1(C(=O)O)CCCN(CC(C)(C)N)C1 92098072 KFVDMGFAOFBLMU-CYBMUJFWSA-N 258.362 0.927 0 50 CCAA CCc1ncc(C(=O)N2CCN(C(=O)N(C)C)CC2)cn1 97446921 FXCUFBGIQVLXJI-UHFFFAOYSA-N 291.355 0.478 0 50 CCAA CCCc1cncnc1N1CC[C@](C)(O)[C@@H](O)C1 96148057 OVJDFWQZLYRDIO-AAEUAGOBSA-N 251.330 0.751 0 50 CCAA CCN(CC)[C@H]1CCN(CCn2cc[nH]c2=O)C1 244734448 NFQCLGFKDQGKQJ-LBPRGKRZSA-N 252.362 0.593 0 50 CCAA O=C(O)C1CCN(C(=O)CCOC[C@@H]2CCCO2)CC1 299752692 VBIAMKZQCVPXGU-LBPRGKRZSA-N 285.340 0.895 0 50 CCAA CN1CC[C@H](N(C)Cc2cnc(N(C)CC(=O)O)nc2)C1 534670863 LMRMAFOSINQZGF-LBPRGKRZSA-N 293.371 0.133 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 534632490 HFIRCWBZXWDIGE-NXEZZACHSA-N 299.352 0.390 0 50 CCAA Cc1cc(C(=O)NCC2CCS(=O)(=O)CC2)nc(C)n1 299782606 YKXHUVWQTAZMQU-UHFFFAOYSA-N 297.380 0.648 0 50 CCAA Cc1cccnc1C[C@H](C)NC(=O)CCCn1cnnn1 821477592 NJQBYFXZUKUYIJ-LBPRGKRZSA-N 288.355 0.904 0 50 CCAA CNS(=O)(=O)CCn1cnc2cccc(F)c2c1=O 584902289 MRKPWDBBKURKPL-UHFFFAOYSA-N 285.300 0.085 0 50 CCAA COCC(=O)N1CCC(CNC(=O)c2cncs2)CC1 948650021 PYFUZDWXZGWDHQ-UHFFFAOYSA-N 297.380 0.758 0 50 CCAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1 1565515388 IWBVCYOHFXPSNA-UWVGGRQHSA-N 269.253 0.268 0 50 CCAA CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H](O)C1(C)C 408081798 WKARTRNQUJJCNJ-UTUOFQBUSA-N 268.357 0.663 0 50 CCAA C[C@H](C[S@](C)=O)NCc1cnc(N(C)C)n1C 168787274 JOGFADDMOWEJRF-VVVCHXIZSA-N 258.391 0.343 0 50 CCAA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2cn[nH]c2)C1 276517807 QIKMAXMNNHVFKD-CYBMUJFWSA-N 278.356 0.593 0 50 CCAA O=C(NCCc1c(F)cccc1F)[C@H]1C[C@@H](O)CN1 276632505 KYVAGKRTVPLVOB-PRHODGIISA-N 270.279 0.346 0 50 CCAA C[C@H]1CCC[C@@H](C)N1C(=O)Cn1nccc1C(N)=O 170619680 BKYKZPVBTCCNMA-AOOOYVTPSA-N 264.329 0.772 0 50 CCAA Cn1c(O)nc2ccc(C(=O)N3[C@H]4COC[C@H]3C4)cc21 581484794 JDVRHNFHNRPHSO-NXEZZACHSA-N 273.292 0.892 0 50 CCAA CC(C)c1ncc(S(=O)(=O)NC[C@@H](O)C2CC2)[nH]1 676324349 ZBGVYOCAWSAWLX-SECBINFHSA-N 273.358 0.582 0 50 CCAA O=C(c1ccc2c(c1)COB2O)N1CC[C@H](OC(F)F)C1 584987875 WNYMTEUFCWQXFO-JTQLQIEISA-N 297.066 0.358 0 50 CCAA Cc1cc(CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)ccc1F 585116762 HQVXAPGZSPIOGF-PHIMTYICSA-N 279.315 0.153 0 50 CCAA Cn1ccc(C(=O)NCCS(=O)(=O)C(F)(F)F)n1 585128260 XGWVOPJBFOFIEG-UHFFFAOYSA-N 285.247 0.085 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cnccn1 644073265 ONYLTDQWWXDZJY-LOWVWBTDSA-N 276.340 0.194 0 50 CCAA CCO[C@H]1C[C@@](O)(CNC(=O)c2ccon2)C1(C)C 191735014 MHCHAIQCQHSLTR-GXFFZTMASA-N 268.313 0.971 0 50 CCAA Cc1nnsc1C(=O)N[C@@H](Cc1ccncc1)C(=O)O 655600429 GEIRHJOZSDWGJS-VIFPVBQESA-N 292.320 0.667 0 50 CCAA Cc1nccn1CCCSc1nnc(CN)n1C 699668002 RAAJJYAIWRFQCN-UHFFFAOYSA-N 266.374 0.961 0 50 CCAA CC(C)N(C)S(=O)(=O)NC(=O)[C@H](C)Cn1ccnc1 1615058828 WYYJVYPEPOBIQW-SNVBAGLBSA-N 288.373 0.220 0 50 CCAA O=C1CNC(=O)[C@H](Cc2ccc(OC(F)(F)F)cc2)N1 1615546864 PMGDPDJAOJLTPU-VIFPVBQESA-N 288.225 0.742 0 50 CCAA O=C(O)[C@@H]1CN(C2CCN(C(=O)C3CCC3)CC2)CCO1 1506424026 YADFHZKCXYEWOX-ZDUSSCGKSA-N 296.367 0.563 0 50 CCAA CCN(CCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1N 1506420897 CIIFQKKFPFZYMW-RQJABVFESA-N 274.368 0.881 0 50 CCAA CN1C[C@]2(CCCN(Cc3cnn(C)c3)C2)OC1=O 1529092570 VEPOTSYQXPFCAC-ZDUSSCGKSA-N 264.329 0.837 0 50 CCAA Cc1cc(C[C@@H]2CN(CCC(=O)O)C[C@H]2O)n[nH]1 1704332519 ZBEHIOLQXAQBFG-MWLCHTKSSA-N 253.302 0.028 0 50 CCAA O=C(NCc1cccs1)C(=O)NC[C@@H]1CCCO1 2304569 JXALYTDSCMQQEM-VIFPVBQESA-N 268.338 0.660 0 50 CCAA O=C1NCC2(CN(C(=O)Cc3ccc(F)c(F)c3)C2)O1 497210224 AAGNNMCZLJIYNW-UHFFFAOYSA-N 282.246 0.828 0 50 CCAA O=C(CCCn1cncn1)N[C@H]1CCCN2CCC[C@@H]12 1772819673 YZUXGKBJCFTXPL-STQMWFEESA-N 277.372 0.801 0 50 CCAA OC[C@@H](O)C1CCN(c2cc(-n3cccn3)ncn2)CC1 1772816395 LJKGLBCPSABBJE-GFCCVEGCSA-N 289.339 0.232 0 50 CCAA Cc1nc([C@@H]2CCn3ncnc3C2)n(-c2ccnn2C)n1 1857674374 FPISKNRZRULAIV-SNVBAGLBSA-N 284.327 0.631 0 50 CCAA CCC[C@@]1(CO)CN(c2nccc(OC)n2)CC[C@@H]1O 1857723377 DEHUFWTZZMRTRQ-FZMZJTMJSA-N 281.356 0.835 0 50 CCAA CCC[C@]1(CO)CCN(c2ccc(C(N)=O)cn2)C[C@@H]1O 1875243339 CHZCXBRIYPDDJP-SWLSCSKDSA-N 293.367 0.530 0 50 CCAA O=C(C[C@H]1CCCCO1)Nc1ccn([C@@H]2CCNC2)n1 328614295 AFUONWMGPDZCLJ-VXGBXAGGSA-N 278.356 1.315 0 50 CCAA CCn1cc([C@H]2OCCC[C@@H]2NS(C)(=O)=O)cn1 328627546 MWHYLHUEISJSNT-WDEREUQCSA-N 273.358 0.672 0 50 CCAA CCn1ccnc1[C@@H](C)NC(=O)C1=NN2CCCN=C2N1 662901486 INJCWDLQPLZIFJ-SECBINFHSA-N 289.343 0.059 0 50 CCAA CN(C)[C@@H]1C[C@H](NS(=O)(=O)c2ccnn2C)C1(C)C 585139408 WDTLOODFAKFBRK-VHSXEESVSA-N 286.401 0.427 0 50 CCAA COCCN1CCC[C@]2(CCc3cnc(N)nc32)C1 1704339598 NLHXUACJJQXVNK-AWEZNQCLSA-N 262.357 0.985 0 50 CCAA CC(C)N(c1ccccc1)S(=O)(=O)CCn1cnnn1 1875289709 KGDNUQWKLAOEDI-UHFFFAOYSA-N 295.368 0.918 0 50 CCAA CCN(C(=O)c1ccc(CO)nc1)c1cnn(C)c1 1163737130 JCKSDPDXRMNMFZ-UHFFFAOYSA-N 260.297 0.974 0 50 CCAA Cn1nnc(C(=O)Nc2nc(C3CC3)cs2)n1 878174957 KOVJKTBGMAYWOT-UHFFFAOYSA-N 250.287 0.796 0 50 CCAA CCCCCOCC(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1 888099845 VBMYUZPBJVNGLL-VXGBXAGGSA-N 282.344 0.229 0 50 CCAA CCS(=O)(=O)c1ccccc1CCNC(N)=O 899454626 XLZUISICJMBCRO-UHFFFAOYSA-N 256.327 0.691 0 50 CCAA O=C(c1cc[nH]c(=O)c1)N1CCN2CCCC[C@@H]2C1 150899326 CSOLYTLPUOGELW-GFCCVEGCSA-N 261.325 0.685 0 50 CCAA COCC[C@H](CO)Nc1cc(N2CCCC2)ncn1 287820263 QFPXDCYWEUGZKR-LLVKDONJSA-N 266.345 0.886 0 50 CCAA Cc1cc(C(=O)N2CCCS(=O)(=O)CC2)cc(O)n1 408125724 DQWYOHOWNGMRGB-UHFFFAOYSA-N 284.337 0.356 0 50 CCAA O=C(Cn1cccn1)N1CC[C@@]2(CCCNC2=O)C1 92038238 FVYLTXQSVWPDGU-ZDUSSCGKSA-N 262.313 0.012 0 50 CCAA O=C(C[C@H]1CCCN1C(=O)c1n[nH]c(O)n1)c1ccco1 2325821321 FFCNZFQUFCQOLX-MRVPVSSYSA-N 290.279 0.981 0 50 CCAA Cc1nnc2n1CCC[C@@H]2N=c1[nH]c(C2CC2)nc(=N)[nH]1 2325824069 NXFHWOJPSOSMRE-VIFPVBQESA-N 286.343 0.430 0 50 CCAA COC(=O)[C@@H]1OC(c2ccccc2)O[C@H]1C(=O)OC 120400 FMSYNRGOFIGJMM-NXEZZACHSA-N 266.249 0.815 0 50 CCAA CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)O 266079 IMIKNCFPHJZMGM-JTQLQIEISA-N 255.295 0.458 0 50 CCAA CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2384776 VEYJKJORLPYVLO-RYUDHWBXSA-N 280.324 0.487 0 50 CCAA endogenous,in-man Cc1nc(N2C[C@H]3COC[C@@]3(CO)C2)c2cccnc2n1 2356155169 ZZIRKNUPQIYTLZ-NHYWBVRUSA-N 286.335 0.778 0 50 CCAA Cc1nnc(CNC(=O)c2ccccc2NCC(=O)O)o1 55569020 PWUVEZFISWVKTD-UHFFFAOYSA-N 290.279 0.805 0 50 CCAA CCN(Cc1nc(COC)no1)C(=O)[C@@H]1CCCO1 55119371 BQPYKKOCBAFKCQ-VIFPVBQESA-N 269.301 0.744 0 50 CCAA C[C@@H]1[C@H](N)CCN1S(=O)(=O)c1ccc2c(c1)OCO2 420427800 KRNZNCCDGPRZEW-PSASIEDQSA-N 284.337 0.526 0 50 CCAA COC(=O)CN1C(=O)CN(C)C(=O)c2ccccc21 22607217 WOPPTAVDQVQNFP-UHFFFAOYSA-N 262.265 0.278 0 50 CCAA O=c1ccc(=O)n(Cc2nc(Cc3ccccc3)n[nH]2)[nH]1 65382717 NUGFAJOJKOZNCY-UHFFFAOYSA-N 283.291 0.294 0 50 CCAA CC(C)Cn1ccnc1CN1C(=O)[C@H]2COCCN2C1=O 348905323 CPOZGMHMGPMEKK-LLVKDONJSA-N 292.339 0.702 0 50 CCAA O=C(CCn1ccnn1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 329340621 RQPWAXYTDSTCSA-KGLIPLIRSA-N 276.340 0.838 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCNC[C@H]2C)C1 252135884 LMCIOTHOTMDASU-IJLUTSLNSA-N 275.418 0.551 0 50 CCAA COc1ccc2c(ccn2CC(=O)NCC(=O)O)c1 32124146 GCKXGIBICFMJQO-UHFFFAOYSA-N 262.265 0.851 0 50 CCAA biogenic O=C(c1ccc(Cn2ccnc2)o1)N1CCOC[C@H](O)C1 77427668 QQXNQHMLBBHTJN-LLVKDONJSA-N 291.307 0.358 0 50 CCAA CN1CC2(CCC1=O)CCN(C(=O)c1cn[nH]c1)CC2 216054653 FHMQQIWWCCDMOV-UHFFFAOYSA-N 276.340 0.884 0 50 CCAA COCc1nnc(C(=O)N(C)Cc2cccnc2)o1 71721613 HCQGBVDSFDYIEP-UHFFFAOYSA-N 262.269 0.883 0 50 CCAA O=C1CC[C@@H](NC(=O)N2CCOCC2)[C@H](C2CC2)N1 335557481 NIVQIHGUICSUFN-PWSUYJOCSA-N 267.329 0.085 0 50 CCAA NC(=O)[C@]1(O)CCCN(c2ccncc2Cl)C1 284698543 SJZBSMFJXMUBAN-NSHDSACASA-N 255.705 0.552 0 50 CCAA CCc1cncc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)c1 284705410 YELHMLKTCUAEKA-RYUDHWBXSA-N 277.324 0.359 0 50 CCAA Cc1cc(C)n2c(C(=O)NC[C@@H](C)n3ccnc3)nnc2n1 222321305 UZKLVOURQZQYMV-LLVKDONJSA-N 299.338 0.929 0 50 CCAA Nc1nc(NCCc2c[nH]cn2)cc(C2CC(O)C2)n1 222414038 XXASIYJJKFQUCR-UHFFFAOYSA-N 274.328 0.675 0 50 CCAA CCn1ncnc1[C@H](C)NC(=O)c1cn(C)c(C)cc1=O 426370135 UITBBPPAGIGQKQ-JTQLQIEISA-N 289.339 0.796 0 50 CCAA O=C(Cc1nc(O)n[nH]1)N1CCCC[C@@H]1CN1CCCC1 426478799 NOIGYQBFUSQCPA-LLVKDONJSA-N 293.371 0.530 0 50 CCAA O=C(CN1CCCCCCC1)NCCc1n[nH]c(=O)[nH]1 222916481 FCESRPWIZFCMTN-UHFFFAOYSA-N 281.360 0.023 0 50 CCAA Cc1cc(C)n(CCNC(=O)[C@]2(C)CCCO2)c(=O)n1 426372537 XIEXDYVBNMDVRT-AWEZNQCLSA-N 279.340 0.545 0 50 CCAA Nc1n[nH]c(CCNC(=O)c2conc2-c2ccccc2)n1 426589774 MFULWAFIKZTTSA-UHFFFAOYSA-N 298.306 1.014 0 50 CCAA O=C(CCc1cc(O)no1)N1CC[C@]2(CCCNC2=O)C1 91468324 GULXXCCZCXZKSQ-CQSZACIVSA-N 293.323 0.442 0 50 CCAA COCCC[C@]1(C(=O)O)CCCN(C(=O)COC)C1 91519364 KKHRQCGOICKPQJ-CYBMUJFWSA-N 273.329 0.753 0 50 CCAA Cc1n[nH]c(C)c1CCN(C)C[C@@H]1COCCO1 244678602 IGPDJTLCZUKWMO-GFCCVEGCSA-N 253.346 0.916 0 50 CCAA Cc1nc(CC(=O)NCCc2noc(CO)n2)c(C)s1 244601980 DVKWLGDPITVTIH-UHFFFAOYSA-N 296.352 0.537 0 50 CCAA Nc1cc(O)nc(CCNC(=O)CN2CCCCCC2)n1 827832253 FEBLQAJGNFBINS-UHFFFAOYSA-N 293.371 0.299 0 50 CCAA Cc1nccn1[C@H](C)CC(=O)NCCn1ccnn1 827802690 SJELXKYVEUFZBS-SNVBAGLBSA-N 262.317 0.551 0 50 CCAA NS(=O)(=O)C1(C(=O)Nc2cccc(C(=O)O)c2)CC1 585138624 PXHWZKKPRNCORC-UHFFFAOYSA-N 284.293 0.144 0 50 CCAA CN1C[C@H](CN(C)S(=O)(=O)c2ccccc2)CC1=O 828247909 HSTUNYUNSRAFBB-LLVKDONJSA-N 282.365 0.785 0 50 CCAA CN(C)C[C@H]1COCCN(S(=O)(=O)c2cccnc2)C1 823690046 KJVRHVKUAUMGRW-GFCCVEGCSA-N 299.396 0.280 0 50 CCAA CC[C@@]1(CO)CCCN(S(=O)(=O)c2cn[nH]c2)C1 670467752 HXVMEIWAEMJJDR-LLVKDONJSA-N 273.358 0.583 0 50 CCAA O=C(CN1CCCCCC1)N1CCN2C(=O)OC[C@@H]2C1 952980977 SFCGFNSNCGYEFV-LBPRGKRZSA-N 281.356 0.525 0 50 CCAA C1C[C@@H](N2CCOCC2)CCN([C@H]2CCOC2)C1 408522768 DDMJGNVFLIKMMP-KGLIPLIRSA-N 254.374 0.962 0 50 CCAA O=C(CCn1cncn1)N1CCc2ccccc2[C@H]1CO 270424180 DSNZNENVVVZKNJ-CQSZACIVSA-N 286.335 0.787 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CC(F)F)C(=O)O 275302576 QNOKJNIVYAJIQY-LURJTMIESA-N 297.283 0.413 0 50 CCAA Cc1nc(CNC(=O)N2CC[C@@H](C)[C@@H]2CO)no1 190602860 RJMIIQRTWFPJIF-APPZFPTMSA-N 254.290 0.290 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cn2cccnc2n1 643763924 LCTLMPZCLVRTQE-AWEZNQCLSA-N 289.339 0.196 0 50 CCAA CC(C)n1cc([C@]2(O)CCCN(S(C)(=O)=O)C2)nn1 583616420 PCXGDMZDOUZUKP-NSHDSACASA-N 288.373 0.102 0 50 CCAA O=C(N=c1cc(C2CC2)[nH][nH]1)c1ccc2c(c1)B(O)OC2 585001011 SNRQJRJCZIVVOM-UHFFFAOYSA-N 283.096 0.179 0 50 CCAA CCOC(=O)[C@@H](NC(=O)c1cccnc1)c1cnn(C)c1 585089421 LPCQBKMCCJKCQO-LBPRGKRZSA-N 288.307 0.849 0 50 CCAA O=C(CCc1ccccc1F)NCCc1nc(=O)o[nH]1 684063986 KEBSBHUQRDEQBQ-UHFFFAOYSA-N 279.271 0.794 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)Cc1cn2c(n1)CCCC2 652068929 UBRRMMOHWHEOHM-LLVKDONJSA-N 277.324 0.838 0 50 CCAA O=C(O)[C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)c2ccccc21 653330181 BFVNPKORMSFYOW-YNEHKIRRSA-N 291.303 0.831 0 50 CCAA CN(C)[C@@H]1CCN(CCn2cc(-c3cccnc3)nn2)C1 656444049 UFFXJIBLKMQSOY-CQSZACIVSA-N 286.383 0.976 0 50 CCAA CCc1c(C)nn(CC(=O)N2C[C@H](O)CO2)c1C 1857686832 DVOIDRKXWCJKAH-JTQLQIEISA-N 253.302 0.197 0 50 CCAA CN(C)C[C@]1(CO)CCCN(CCCC(=O)O)C1 1529142470 OMNQUDWZELZYPZ-CYBMUJFWSA-N 258.362 0.487 0 50 CCAA Cc1noc([C@H]2CN(C(=O)CC(C)(C)O)CCN2C)n1 408036127 QGYYFTQCBDRCPP-SNVBAGLBSA-N 282.344 0.354 0 50 CCAA CCn1cnc2c(c1=O)CCN(S(=O)(=O)C1CC1)C2 330086348 MDCSBOKQEWBTRV-UHFFFAOYSA-N 283.353 0.114 0 50 CCAA Cn1nnnc1SCC(=O)Nc1ccccn1 17440278 RPPVIMHLLWRYIA-UHFFFAOYSA-N 250.287 0.336 0 50 CCAA Cc1ccc(NC(=O)/C=c2/sc3n(c2=O)CCN=3)cc1 1740818259 QWVLMXJLKUUVLB-DHZHZOJOSA-N 287.344 0.271 0 50 CCAA C[C@]1(O)CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 231321655 CMUCATSTSGRTGU-ZDUSSCGKSA-N 299.348 0.603 0 50 CCAA CCOCCN1CCN(Cc2cnn(C)c2)C[C@H]1C 247029730 DCANEJPZBIAFRD-CYBMUJFWSA-N 266.389 0.963 0 50 CCAA O=C(O)C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O 5758333 JHEGVHCZUULIPW-MRVPVSSYSA-N 263.205 0.211 0 50 CCAA C/C=C/Cn1c(=O)c2c(nc3oc(C)cn32)n(C)c1=O 11665601 NCDGUXPIAWVBCL-SNAWJCMRSA-N 274.280 0.825 0 50 CCAA CN1C(=O)NCC12CN(C[C@@H]1COc3ccccc3C1)C2 1857684764 CIVBHQZMWQDZOJ-GFCCVEGCSA-N 287.363 0.947 0 50 CCAA Cn1cc(CN2CCN(CC3(O)CCOCC3)CC2)cn1 408446966 TZUYAKWTUARQOU-UHFFFAOYSA-N 294.399 0.079 0 50 CCAA CO[C@@H]1CC[C@@H](C(=O)N2CCC(n3cnnc3O)CC2)C1 614259900 FABBTDHIRMYEFX-ZYHUDNBSSA-N 294.355 0.962 0 50 CCAA O=C([C@@H]1OC[C@@H]2COCC[C@H]21)N1CCOC[C@]12CCOC2 329685702 BEDKLAAKONBZCN-KYEXWDHISA-N 297.351 0.056 0 50 CCAA CCOc1cc(N2CCN([C@@H](CC)CO)CC2)ncn1 125864053 POANFSWBKJEZLH-LBPRGKRZSA-N 280.372 0.768 0 50 CCAA COc1cc(C(=O)N2CCN[C@H](c3cccnc3)C2)on1 374327482 GUOKGYIYKNUXSE-NSHDSACASA-N 288.307 0.865 0 50 CCAA COC(=O)c1c(C)nn(C)c1NC(=O)[C@H]1CCCO1 585126364 XJECZKUMIBHVLL-MRVPVSSYSA-N 267.285 0.633 0 50 CCAA CCN1CCO[C@H](C(=O)Nc2nccn2C2CC2)C1 1299264473 CVWBPTPCOZASKR-NSHDSACASA-N 264.329 0.877 0 50 CCAA Cn1cnc(-c2nc(O)c3cc4c(cc3n2)OCO4)n1 1875350039 YNCFIXJJFCPLGE-UHFFFAOYSA-N 271.236 0.860 0 50 CCAA Nc1ccnc(CN2CCC[C@@H]2C(=O)NC2CC2)n1 135076601 ULKXSHHPOYGQBL-SNVBAGLBSA-N 261.329 0.302 0 50 CCAA O=S(=O)(CC1CCC1)NC[C@@H]1CNCCCO1 333536143 KBNJJYQLCXKZEX-NSHDSACASA-N 262.375 0.084 0 50 CCAA O=C1CC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C(=O)N1 334355500 AQLFXZAQRTUHMN-DTWKUNHWSA-N 250.298 0.488 0 50 CCAA COc1ccnc(CN2CC[C@H](CC(N)=O)C2)c1OC 367989830 SEOBABSEGPCDCI-SNVBAGLBSA-N 279.340 0.796 0 50 CCAA CNS(=O)(=O)[C@H]1CCCN(Cc2nn(C)cc2C)C1 877871070 JNLBIPZNNZIFGE-NSHDSACASA-N 286.401 0.242 0 50 CCAA CC(C)n1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n1 521394298 GNEUSSZNFQBZBD-RYUDHWBXSA-N 266.345 0.211 0 50 CCAA COc1ccc(-c2ccc(=O)n(CC(N)=O)n2)cc1OC 5388614 HZMRWICAQMYRHR-UHFFFAOYSA-N 289.291 0.413 0 50 CCAA CC1(C)CC(C(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)=NO1 2325786801 FAMYPLCPZMJTLB-MRVPVSSYSA-N 293.327 0.771 0 50 CCAA Cc1nc(CC(=O)NC[C@@H](O)c2cccc(O)n2)cs1 2356145234 HIJJDWIYQXDXTJ-LLVKDONJSA-N 293.348 0.944 0 50 CCAA Nc1nc(NC(=O)/C=C\C(=O)O)nn1-c1ccccc1 4456687 FMUFTIANTTYEBU-SREVYHEPSA-N 273.252 0.429 0 50 CCAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1COCCO1 247553539 ZMGQNNGUOHMEAA-IJLUTSLNSA-N 254.330 0.097 0 50 CCAA O=c1ccc(=O)n(Cc2nc(CCc3ccccc3)n[nH]2)[nH]1 65427242 YCJIPJYWYWLMMV-UHFFFAOYSA-N 297.318 0.488 0 50 CCAA CCCN1CCO[C@H](CCNC(=O)c2c[nH]c(=O)cn2)C1 67772576 KYMALTIORVUZFG-LLVKDONJSA-N 294.355 0.001 0 50 CCAA C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cncs2)CC1 123301721 PFDPMKXPWRKJGY-NSHDSACASA-N 294.424 0.928 0 50 CCAA Cc1nsc(N2CCOC[C@H]2c2nc[nH]n2)n1 329174649 BCCAXWWQOUHEPU-ZETCQYMHSA-N 252.303 0.543 0 50 CCAA C[C@H](C(=O)NC[C@@H]1CCCO1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 428189751 RBZYIRFRNKWTLS-RBTXIFOQSA-N 292.379 0.555 0 50 CCAA COC[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)C1CC1 151940194 ADOXGGKSUGCFNP-CYBMUJFWSA-N 287.323 0.817 0 50 CCAA C[C@@H]1CCCN1CC(=O)Nc1ccn([C@H]2CCNC2)n1 328645288 ZNZCWHORRMNVQG-NEPJUHHUSA-N 277.372 0.840 0 50 CCAA C[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@@H](C)N1 153550140 LNWFBKPIXXZPNE-UTUOFQBUSA-N 256.346 0.391 0 50 CCAA CCc1ccnc(C(=O)NC[C@@H]2COCCO2)c1 330635863 DSCPMKQESAAIOI-LLVKDONJSA-N 250.298 0.789 0 50 CCAA CCN1CCO[C@H](C(=O)N2CC=C(COC)CC2)C1 375378472 IUEPWOYSYNKZLE-ZDUSSCGKSA-N 268.357 0.512 0 50 CCAA Cn1cc([C@H](O)C[C@@H]2CCCN2S(=O)(=O)C2CC2)cn1 367249168 SUTNBSZFDAKZOH-WCQYABFASA-N 299.396 0.800 0 50 CCAA COc1cc(S(=O)(=O)NC[C@H](C)O)c(OC)cc1C 36638806 JKMMDLHQQFVCNI-VIFPVBQESA-N 289.353 0.671 0 50 CCAA CCSCC[C@H](C)N(C)Cc1nc(N)nc(N)n1 174026743 JHPFGBSVGGQGDI-QMMMGPOBSA-N 270.406 1.000 0 50 CCAA C=CC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 521396830 ZIOWSMSIADCZMO-CYBMUJFWSA-N 251.374 0.801 0 50 CCAA CCC1(C(=O)O)CCN(C(=O)CN2CCC[C@@H](O)C2)CC1 426575023 OGEBOTAEMNAVND-GFCCVEGCSA-N 298.383 0.547 0 50 CCAA CC1(CNC(=O)N2CCN(c3cccnc3)CC2)COC1 426593886 WHDPAJJWNLMTOI-UHFFFAOYSA-N 290.367 0.950 0 50 CCAA CCc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)O)[nH]1 222388218 NRIMXVOKHLMVEG-JTQLQIEISA-N 266.297 0.893 0 50 CCAA CCn1cnnc1[C@@H](C)NC(=O)c1cc(CO)ccn1 220067905 YLSGNTYXRRSTLM-SECBINFHSA-N 275.312 0.676 0 50 CCAA COC(=O)Nn1c(C)c(C(=O)O)c(=O)c(C(=O)O)c1C 43190922 NDDSATQCCRXSHM-UHFFFAOYSA-N 284.224 0.171 0 50 CCAA CN(C)S(=O)(=O)NCCCN1CCC[C@H](C(=N)O)C1 330463541 ZVUCZOLGGPYNHY-JTQLQIEISA-N 292.405 0.020 0 50 CCAA O=C(CCCN1CCCCC1)NCCc1n[nH]c(=O)[nH]1 95371179 VGXGEVWJVIWRDP-UHFFFAOYSA-N 281.360 0.023 0 50 CCAA C[C@@H](c1ccncn1)N(C)C(=O)CN1CCN(C)C1=O 426691329 SQQYCQTZWRRGOE-JTQLQIEISA-N 277.328 0.363 0 50 CCAA NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O 146756927 MIXHYPHPULMTBG-QWHCGFSZSA-N 291.351 0.047 0 50 CCAA CS(=O)(=O)CCNCc1cc(=O)c2cc(F)ccc2[nH]1 91768786 PFKGVLWFDYINES-UHFFFAOYSA-N 298.339 0.801 0 50 CCAA CC(=O)N1CCN(C(=O)c2ccc(C)c(O)c2)C[C@H](O)C1 91616630 CRFUWKHJHFLXFH-CYBMUJFWSA-N 292.335 0.366 0 50 CCAA CC(C)c1ccc(C(=O)NC[C@@H]2CNCCO2)c(=O)n1C 97729696 VVWMCGUBKDSACE-NSHDSACASA-N 293.367 0.227 0 50 CCAA CNC(=O)NCC(=O)N1CCO[C@@H](Cc2ccccc2)C1 182159529 FXDMJXWODDUXMH-ZDUSSCGKSA-N 291.351 0.386 0 50 CCAA CNC(=O)Cn1cc(NC(=O)c2cncc(F)c2)cn1 345588843 OWWWSUFQDSCZLT-UHFFFAOYSA-N 277.259 0.416 0 50 CCAA COc1ccccc1[C@@H](O)CNC(=O)[C@@]1(C)CCNC1 299740015 URWKJHSMQMOCOG-WFASDCNBSA-N 278.352 0.844 0 50 CCAA O=C(NC[C@@]1(O)CCNC1)Nc1ccc(F)c(F)c1 299773050 DBBQUNCAHNGGAZ-GFCCVEGCSA-N 271.267 0.811 0 50 CCAA CCOC[C@@H](O)CNC(=O)c1c(C)[nH]c(C(C)=O)c1C 823315642 NKTUAWIHRLHVJP-NSHDSACASA-N 282.340 0.961 0 50 CCAA COCC1(CNC(=O)CCN2CCCC2=O)CCC1 669670473 QXRVHELCMSUNFT-UHFFFAOYSA-N 268.357 0.932 0 50 CCAA Cc1ncn(CCNC(=O)CN(C)C2CCNCC2)c1C 827825805 ZTWKUNLDJKMPRA-UHFFFAOYSA-N 293.415 0.300 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(C)nc(C)n1 584885699 UWYOLMNNTCEXFN-KBPBESRZSA-N 292.383 0.931 0 50 CCAA O=C(C1CCC1)N1CCN(CCn2cnnc2)CC1 670472830 NGRRBKBVBYGQBV-UHFFFAOYSA-N 263.345 0.222 0 50 CCAA O[C@@]1(c2ccccc2)CCN(CCn2cnnc2)C1 670448706 APMCBPZCEBXIOH-AWEZNQCLSA-N 258.325 0.872 0 50 CCAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1nnnn1C 1411573685 QQLDWKXFJMIJLY-INTQDDNPSA-N 272.312 0.586 0 50 CCAA CO[C@@H](C)CNC(=O)C(=O)NC1CC2(CO[C@@H](C)C2)C1 1354818398 NXPJYAPREZCBEI-PXAOEZFJSA-N 284.356 0.211 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(CO)cc1 1565516047 PBZRPRQZGADLNT-STQMWFEESA-N 265.309 0.713 0 50 CCAA C[C@H]1Cc2cc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)ccc2O1 1594614883 ILECQVIDVROTCU-SXMVTHIZSA-N 279.292 0.574 0 50 CCAA C[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)c1nc[nH]n1 188525293 LVMIJKNSNPHKJA-SSDOTTSWSA-N 263.305 0.642 0 50 CCAA COc1cc(C)nc(N2CCN(c3ncc[nH]3)CC2)n1 670818136 XNOCMFOKXKLIDH-UHFFFAOYSA-N 274.328 0.843 0 50 CCAA CCCCCOCC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C 585126291 VNQUWHXWACOMKN-KGLIPLIRSA-N 285.432 0.944 0 50 CCAA COc1cc(O)ncc1C(=O)N1C[C@@H]2CCC[C@]2(N)C1 1615554903 VWPFCKCGAFBNNB-XPTSAGLGSA-N 277.324 0.749 0 50 CCAA CSCC[C@H](O)C(=O)NCCc1ccnn1C 215315006 VZVJJGYABGIWKH-JTQLQIEISA-N 257.359 0.193 0 50 CCAA Cn1cc(Cl)c(C(=O)NCCc2csc(=N)[nH]2)n1 1857684846 HGNIONYCPZTOFT-UHFFFAOYSA-N 285.760 0.915 0 50 CCAA CN1CC[C@H](Nc2ncc(Br)cn2)C1=O 217498640 YXVOXKRFISBTTC-ZETCQYMHSA-N 271.118 0.882 0 50 CCAA COCCCS(=O)(=O)N1CCN(CC=C(C)C)CC1 132152691 JLAPPKDECYBLOZ-UHFFFAOYSA-N 290.429 0.937 0 50 CCAA O=S(=O)(Nc1n[nH]c2ncnc(O)c12)c1cccs1 1875263819 WOOVZYWWXWFDPV-UHFFFAOYSA-N 297.321 0.921 0 50 CCAA C[C@@H]1C[C@H](C(=O)N2CC[C@](F)(C(=O)O)C2)CCO1 262803414 RZILPDGMPFTJJW-KBVBSXBZSA-N 259.277 0.827 0 50 CCAA CCc1ncnc(N2C[C@H]3[C@H](C2)C3(CO)CO)c1F 1772818430 FBEKTYCYPIVTOQ-IUCAKERBSA-N 267.304 0.215 0 50 CCAA O=C(CCCn1cncn1)N1CCC[C@H](C2(O)CC2)C1 1772806111 ZCQDSSGZTDHKPU-LBPRGKRZSA-N 278.356 0.822 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N1CCC([C@@H](O)CO)CC1 1772711927 YUSACRNIQYXQCV-LBPRGKRZSA-N 279.340 0.104 0 50 CCAA CCN(C(=O)CCN1CCCS1(=O)=O)c1ccncc1 265370894 ZWZDIPSDQUNWGG-UHFFFAOYSA-N 297.380 0.860 0 50 CCAA CN1CCN(C(=O)NCCc2ccc(F)cc2)C[C@H]1CO 1857529032 YLOXWOBFYCBXGP-AWEZNQCLSA-N 295.358 0.686 0 50 CCAA COCCn1ccnc1-c1nccn1[C@@H]1CC(=O)N(C)C1 1857668501 BUZQWMKMMZFJTD-LLVKDONJSA-N 289.339 0.796 0 50 CCAA Cc1nc(CC(=O)N2C[C@@H]3C[C@H]2C(=O)N3)cs1 1857700316 SKBAKBICSLHBOT-CBAPKCEASA-N 251.311 0.093 0 50 CCAA Cc1nc(CC(=O)N2CCO[C@H]3C[C@H](CO)C[C@@H]32)cs1 1857706408 PVSGXRPWESKVRX-WXHSDQCUSA-N 296.392 0.992 0 50 CCAA O=C(Cn1cc2ccccc2n1)N1CC[C@H](CO)[C@H](O)C1 546696201 RXAYGVJISQONKQ-TZMCWYRMSA-N 289.335 0.238 0 50 CCAA Cc1cccc(NC(=O)[C@]23CNC[C@H]2CCOC3)n1 1121974561 KPHAWTBPQNZLFE-RISCZKNCSA-N 261.325 0.955 0 50 CCAA NC(=O)c1ccc(C(=O)N[C@H]2CCn3cncc3C2)[nH]1 1875268419 LAKRCXQLJZPQMG-QMMMGPOBSA-N 273.296 0.055 0 50 CCAA O=C(N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O)c1cncnc1 1875291567 DPOPRIMVLKGIIN-YJFSRANCSA-N 261.281 0.706 0 50 CCAA C[C@@H](O)[C@H](NC(=O)C1=C2CCN=C2NC=C1)C(F)(F)F 1875319881 WXWYWRWCRYZNRF-MUWHJKNJSA-N 289.257 0.630 0 50 CCAA NC(=O)[C@@H]1CC(=O)NCCN1C/C=C/c1ccccc1 1875308009 PMIKIJMTGSVNEK-LVDDQXARSA-N 273.336 0.376 0 50 CCAA CO[C@@H](CN)C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 884424844 MAVMLXFGNPXIEB-NSHDSACASA-N 266.345 0.294 0 50 CCAA OC1(c2cnn[nH]2)CN(c2cc(C(F)F)ncn2)C1 1776007120 FJONAEGFKRPGTM-UHFFFAOYSA-N 268.227 0.240 0 50 CCAA NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(F)cc2F)C1 285572848 PXPKAEYQNJJZJL-CYBMUJFWSA-N 284.262 0.417 0 50 CCAA O=C(C[C@@H]1CCOC1)NCCn1cnc(C(=O)O)c1 401182915 CCTNIHZVQBEOKG-VIFPVBQESA-N 267.285 0.124 0 50 CCAA O=C([C@@H]1CC12CCOCC2)N1CCNC(=O)C12CCC2 2325766686 STGLOGOALMNVCT-NSHDSACASA-N 278.352 0.684 0 50 CCAA O=C1C[C@@H]([C@@H]2CCN(c3cncc(-n4cccn4)n3)C2)CN1 2325790874 RPFZVALQBHQSFO-VXGBXAGGSA-N 298.350 0.625 0 50 CCAA O=C1CC[C@H](CNC(=O)c2n[nH]cc2-c2ccncc2)O1 2325798073 LQBZRGKYLPGETD-SNVBAGLBSA-N 286.291 0.907 0 50 CCAA COc1ccc(CC(=O)NCCC(=O)O)cc1OC 406069 AVKSNRJEBIRYMA-UHFFFAOYSA-N 267.281 0.837 0 50 CCAA COc1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 455005 TWCWIVBTZXVIAD-UHFFFAOYSA-N 291.263 0.089 0 50 CCAA COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccccc1 539832 QYZQCZGPCOJAAM-NSHDSACASA-N 276.292 0.190 0 50 CCAA O=C(CS(=O)(=O)Cc1ccccc1)NC[C@@H]1CCCO1 620443 SEECKYRZCSJNDE-ZDUSSCGKSA-N 297.376 0.897 0 50 CCAA O=C(C(Cl)(Cl)CO)C(Cl)(Cl)CO 1703146 QYNWGUFGUGQFOS-UHFFFAOYSA-N 255.912 0.888 0 50 CCAA CCOc1ccccc1NC(=O)CN(C)S(C)(=O)=O 22606538 HNWWMYMVJOEDMP-UHFFFAOYSA-N 286.353 0.915 0 50 CCAA O=C1NCC(=O)N2CCN(Cc3ccc(Cl)s3)C[C@@H]12 65462119 JFQOEYBRRWWFIK-VIFPVBQESA-N 299.783 0.544 0 50 CCAA Cn1cc([C@@]2(C)CN(C(=O)[C@@H](N)C(C)(C)C)CCO2)cn1 119399331 NSTGRYUBNGWQRV-IUODEOHRSA-N 294.399 0.868 0 50 CCAA COc1ccc(C(=O)N2CCN[C@@H](C(=O)O)C2)cc1OC 71661993 UUDKAKGMTJCWBU-SNVBAGLBSA-N 294.307 0.202 0 50 CCAA CCC(CC)CNC(=O)C(=O)N1CCO[C@H](C)C1 328590066 AVJPQDVZMYRFKL-SNVBAGLBSA-N 256.346 0.786 0 50 CCAA Cc1cnc(C(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)[nH]1 215281627 BSHPQGMGAPMFIR-ZDUSSCGKSA-N 278.312 0.775 0 50 CCAA C[C@H](O)CN(C)C1CCN(C(=O)C2(C)COC2)CC1 331935135 ITGNITRAZHCVBY-NSHDSACASA-N 270.373 0.327 0 50 CCAA CCCS(=O)(=O)N1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 241338681 MCYZUWUCTLKZFG-VWYCJHECSA-N 274.386 0.845 0 50 CCAA CCCS(=O)(=O)N1[C@H](C(N)=O)C[C@@H]2CCCC[C@H]21 241338679 MCYZUWUCTLKZFG-AXFHLTTASA-N 274.386 0.845 0 50 CCAA COCCn1ccnc1CN1CC[C@H](COC)C1 216162066 ZPMCXBNVANAMCU-LBPRGKRZSA-N 253.346 0.998 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CCc2nccs2)CCO1 263035845 VCUKYFADNDWROQ-QMMMGPOBSA-N 270.310 0.388 0 50 CCAA O=C(COC[C@H]1CCCO1)NCCc1nc(C2CC2)no1 219457634 RCRRUTPEPWMPHG-LLVKDONJSA-N 295.339 0.801 0 50 CCAA C[C@H]1CN(C(=O)Nc2cccnn2)C[C@@]2(CCOC2)O1 242048044 VSGQCELWCUKQOM-GXFFZTMASA-N 278.312 0.888 0 50 CCAA CC[C@H]1C(=O)NCCN1Cc1cccn(C(F)F)c1=O 606444836 BTVOONBLXCPENO-JTQLQIEISA-N 285.294 0.954 0 50 CCAA CCc1ccnc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)c1 284981966 XNNSLMLHXNYUSY-JQWIXIFHSA-N 277.324 0.359 0 50 CCAA C[C@@H]1CN(Cc2cccc(C(=O)N(C)C)c2)C[C@H]1C(N)=O 286276469 SDGXZFLHVZBCJD-BXUZGUMPSA-N 289.379 0.942 0 50 CCAA NC(=O)c1cccc(-c2nccc(N3CC[C@H](O)C3)n2)c1 426574927 AHMIWNIHSCQXMK-LBPRGKRZSA-N 284.319 0.814 0 50 CCAA COC[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@H](C)O1 225488688 PCYXVEKHWXZNMK-CIUDSAMLSA-N 257.252 0.645 0 50 CCAA CN1C[C@@H](CNC(=O)c2ccn(C(C)(C)C)c2)OCC1=O 220175474 LTPWGHWBAKXDPF-GFCCVEGCSA-N 293.367 0.830 0 50 CCAA CN(C)C(=O)CSc1nnc([C@H]2CCCNC2)n1C 426519183 DZHQJIBVUJAOQO-VIFPVBQESA-N 283.401 0.462 0 50 CCAA Cc1ccn2c(C(=O)NC[C@@H]3CCCOC3)nnc2n1 426552095 YJVDLHTXYYDGJA-JTQLQIEISA-N 275.312 0.589 0 50 CCAA CN(C)C[C@@]1(O)CCCN(c2ccncn2)CC1 91950762 NRCLFBCZNJAEIJ-CYBMUJFWSA-N 250.346 0.760 0 50 CCAA O=C(NCc1nc(O)n[nH]1)[C@@H]1CCc2ccccc21 336314087 HSLDZDJSEGZXFO-SNVBAGLBSA-N 258.281 0.857 0 50 CCAA CCN1C(=O)C(=O)c2c(OC)cc(OC)cc2C1=O 96180976 IMDMCDUGCVZSPO-UHFFFAOYSA-N 263.249 0.889 0 50 CCAA Cc1csc(CCNC(=O)[C@@H]2CCC(=O)NC(=O)N2)n1 534631157 NGZUPXPIASIRHW-QMMMGPOBSA-N 296.352 0.098 0 50 CCAA COCCN(C)CC(=O)N(C)C[C@H]1CCCNC1 534644688 BPEKMOGVZIYSKU-LBPRGKRZSA-N 257.378 0.023 0 50 CCAA CCCN1C[C@H](C(=O)NCCc2cc[nH]n2)CCC1=O 299779755 AMKVFWCITZGCEK-LLVKDONJSA-N 278.356 0.717 0 50 CCAA O=C(O)C[C@@H]1CN(C2Cc3ccccc3C2)C[C@H]1O 1857731169 BKVADHUAQKPEDW-TZMCWYRMSA-N 261.321 0.921 0 50 CCAA CN(Cc1nccs1)C(=O)CCS(C)(=O)=O 827887540 LDCGRWUFHAMUSD-UHFFFAOYSA-N 262.356 0.536 0 50 CCAA Cc1ncnc(C)c1C(=O)N(C)Cc1nncn1C 823633947 IDMXACHUFYHQJJ-UHFFFAOYSA-N 260.301 0.494 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1cc(C)nc(C)c1 824506667 NPBMSKILIDCCOZ-RYUDHWBXSA-N 250.298 0.842 0 50 CCAA Nc1ncncc1C(=O)NCc1cc(C2CC2)n[nH]1 584885813 VKXOIVQFMORHNR-UHFFFAOYSA-N 258.285 0.589 0 50 CCAA COC[C@H]1[C@H](NC(=O)c2cccnc2O)[C@H]2CCO[C@H]21 1074548027 JVLFRUWGRYHOEW-SASUGWTJSA-N 278.308 0.567 0 50 CCAA CCn1ncnc1CN1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076020310 LOLFWYHUKJBRQM-NEPJUHHUSA-N 289.343 0.235 0 50 CCAA Cc1nonc1CNC(=O)N1CC[C@@H](N2CCCC2)C1 876438900 CBXCJYCIPSVGAJ-LLVKDONJSA-N 279.344 0.758 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)NCCc1cnn(C)c1 276832665 HIMZODABRWKZPQ-ZYHUDNBSSA-N 251.330 0.894 0 50 CCAA COC(=O)[C@H](NCc1ccc(F)c(F)c1)[C@@H](C)O 191966409 CTEMRUKWFBRZMG-RDDDGLTNSA-N 259.252 0.977 0 50 CCAA CO[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C(=O)O)C1)C1CC1 668293681 HEXPTRMZJKLTEJ-SZEHBUNVSA-N 257.286 0.112 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCS[C@@H]1C(F)(F)F 585125913 INPHWODTQCUCPN-SSDOTTSWSA-N 291.316 0.885 0 50 CCAA CC[C@@](O)(CCCO)CNc1nccnc1OC 1506425104 CLSVDTBXHQIMOU-GFCCVEGCSA-N 255.318 0.811 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)CCc1cn[nH]c1 223607575 FNWYWBQLFIXFSK-GHMZBOCLSA-N 253.302 0.262 0 50 CCAA CC[C@]12COC(=O)N1CCN(c1nccc(OC)n1)C2 1857689915 OMJDPLQKXVDQGN-ZDUSSCGKSA-N 278.312 0.906 0 50 CCAA COc1cccc(CCNC(=O)[C@@H]2C[C@@H](O)CN2)c1 226311090 IXGGDFGFJWKTQU-YPMHNXCESA-N 264.325 0.077 0 50 CCAA O=C(O)CNC(=O)CNC(=O)OCc1ccccc1 1655961 VFRCXEHNAFUTQC-UHFFFAOYSA-N 266.253 0.114 0 50 CCAA in-vitro CC(C)(C)C(=O)N1CCN(C(=O)c2ccnnc2)CC1 154345651 AZIVMGAPRKCIKM-UHFFFAOYSA-N 276.340 0.807 0 50 CCAA CCCOCCN1CCN(C[C@H]2CCC(=O)N(C)C2)CC1 1775981639 BPUKVXMLKRTKPL-HNNXBMFYSA-N 297.443 0.899 0 50 CCAA O=C(c1ccc(O)cc1F)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772808644 WXKNOCPIRNGBJE-GHMZBOCLSA-N 281.283 0.204 0 50 CCAA CCCC[C@@H](CO)NC(=O)C(=O)N[C@H](CO)CCCC 5298584 XBTICJVZGBSWDU-RYUDHWBXSA-N 288.388 0.321 0 50 CCAA CCC(C)(C)C(=O)NCCSc1nnnn1C 19742415 IPWHYMZMHQLSGT-UHFFFAOYSA-N 257.363 0.855 0 50 CCAA Cn1c(=O)n(C)c2cc(CNC(=O)c3ccno3)ccc21 19772751 XXTFGMHLAFPNJG-UHFFFAOYSA-N 286.291 0.795 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1ccnc(Cl)c1 169917534 HAKQNWMEYGOLJV-UHFFFAOYSA-N 257.526 0.989 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@H](n2ncc(C(N)=O)c2N)C1 201938823 BMXLRDUBQSIUGI-QMMMGPOBSA-N 295.343 0.746 0 50 CCAA Cc1cccnc1C(=O)N[C@@H]1C[C@H]2CO[C@H](C)CN2C1 1857732141 DPEVQEMLWHTMLY-UPJWGTAASA-N 275.352 0.981 0 50 CCAA CCc1nn(C)cc1NC(=O)N[C@H]1CCN(C(C)=O)C1 408096796 FKBYZRWNQYANRI-JTQLQIEISA-N 279.344 0.725 0 50 CCAA CC(C)n1cncc1CN1C[C@H]2COC[C@@H](C1)C(=O)N2C 1704331884 NNGGZSQMXSBTLU-OCCSQVGLSA-N 292.383 0.753 0 50 CCAA O=C1CN(Cc2nnnn2C2CC2)[C@@H](c2ccccc2)CN1 933329466 MFUFAVDIBVITKY-CYBMUJFWSA-N 298.350 0.681 0 50 CCAA NC(=O)[C@]12CCOC[C@H]1CN(c1cc(CO)c(F)cn1)C2 952850235 JWJBCLVPHAYCSH-YGRLFVJLSA-N 295.314 0.041 0 50 CCAA COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)C2CC2)n[nH]1 952995374 JVXMPQZIPFWUTR-ZETCQYMHSA-N 287.341 0.615 0 50 CCAA O=C(NCc1nc(-c2ccco2)n[nH]1)[C@@H]1CCCO1 1875254644 IZPNCVFYJHTEIF-VIFPVBQESA-N 262.269 0.860 0 50 CCAA O=C(Nc1cnc(N2CCNCC2)nc1)[C@@H]1CC=CCO1 1875276710 RXFYSQZFLSIMBN-LBPRGKRZSA-N 289.339 0.170 0 50 CCAA CCN(CCO)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875289567 AUVNFNOVFMPERK-DTWKUNHWSA-N 267.329 0.886 0 50 CCAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1N=c1[nH]ccn2ccnc12 1875398916 IYSRCFFLWNSPSX-YNEHKIRRSA-N 298.350 0.599 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2 1875311000 IVFKFOJUYMUQNC-QPHKQPEJSA-N 295.335 0.787 0 50 CCAA CCOCc1nc(C)cc(N2CCNC(=O)CC2)n1 892321112 NEPRRZOAYAPZKI-UHFFFAOYSA-N 264.329 0.648 0 50 CCAA Cn1cc([C@@]2(C)CN(Cc3cn(C)nn3)CCO2)cn1 328667639 KXTRKCNPGCJGML-CYBMUJFWSA-N 276.344 0.296 0 50 CCAA Cc1cc(C(=O)N2CCC3(CCO3)CC2)nc(N)n1 584892017 HBNICBJLKFUZFU-UHFFFAOYSA-N 262.313 0.762 0 50 CCAA O=C(N[C@H]1CNCC[C@H]1O)c1cccc2cc[nH]c12 534593108 YSZGLEIWPUZISQ-NWDGAFQWSA-N 259.309 0.621 0 50 CCAA CCOC(=O)c1nc(S(=O)(=O)NC)c2ccccn12 2325772279 PCMLFOYXEJUVNG-UHFFFAOYSA-N 283.309 0.419 0 50 CCAA CS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1N 350095 OILYLZXNQWQGJA-UHFFFAOYSA-N 272.717 0.988 0 50 CCAA CCN(CC(N)=O)S(=O)(=O)c1ccc(C)cc1 614829 ZJNUBXRUKRAYDQ-UHFFFAOYSA-N 256.327 0.491 0 50 CCAA CN1C[C@@H](NC(=O)c2cn3cc(Cl)ccc3n2)CC1=O 20295218 KVSGYWVUQAPZQN-VIFPVBQESA-N 292.726 0.948 0 50 CCAA O=S1(=O)CCC(N2CCC(n3cnnc3)CC2)CC1 65369786 ZSNYFDVXIDRBBZ-UHFFFAOYSA-N 284.385 0.492 0 50 CCAA CC(C)C(=O)N1CCC(NC(=O)c2cn(C)cn2)CC1 179461411 CKFNRSQGTPYJIH-UHFFFAOYSA-N 278.356 0.797 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 229437023 CMVJDAFNRMYUJN-IJLUTSLNSA-N 264.329 0.867 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 229529041 PQZIKKQBXPZZQJ-BBBLOLIVSA-N 261.343 0.057 0 50 CCAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 252685072 HMODCEXRBXPPOU-QCNOEVLYSA-N 291.417 0.152 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)CCn1c(C)cccc1=O 219057336 RCRTVMYDLHZYJA-CHWSQXEVSA-N 294.351 0.467 0 50 CCAA N=C(O)NC1(C(=O)N=c2cc3n([nH]2)CCCC3)CC1 329223344 XWNFFEOWMMQBSH-UHFFFAOYSA-N 263.301 0.195 0 50 CCAA CC1(C)COC[C@@H]1NC(=O)c1cnn2cccnc12 456509662 DLYXLPBLPSWNEA-JTQLQIEISA-N 260.297 0.884 0 50 CCAA Cc1cc(CN(CCNS(C)(=O)=O)C2CC2)on1 331530735 SGVCLYSYHOAXCH-UHFFFAOYSA-N 273.358 0.497 0 50 CCAA COc1cc(C)nc(N2C[C@H](OC)C[C@H]2CO)n1 375259386 XTBSEIFIRIGJIT-VHSXEESVSA-N 253.302 0.380 0 50 CCAA CS(=O)(=O)N1CCC(NC(=O)Nc2ccncn2)CC1 333076079 DMKVMUPINGEAPH-UHFFFAOYSA-N 299.356 0.022 0 50 CCAA CN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 77504581 QPVUXYJSOOAQLO-UHFFFAOYSA-N 293.415 0.581 0 50 CCAA CO[C@H](C(=O)N1CCC[C@@H](n2ccnn2)C1)C1CC1 333222483 AGXIULDZFCRAKK-NEPJUHHUSA-N 264.329 0.867 0 50 CCAA O=C(N[C@H]1CCCN(c2ncccn2)C1)c1ncccc1O 72149229 KIGVBXRYANKNAO-NSHDSACASA-N 299.334 0.976 0 50 CCAA C[C@H]1CN(Cc2ccccc2CNC(=O)CN)C[C@@H](C)O1 237684460 UTXRFQHXSRULKT-BETUJISGSA-N 291.395 0.871 0 50 CCAA COC(=O)[C@H](F)CN1CCN(c2cccs2)C(=O)C1 241644159 POSKWLWMYMHBAU-SECBINFHSA-N 286.328 0.908 0 50 CCAA O=C([C@H]1CC12CC2)N1CCC[C@@H](C(=O)N2CCNCC2)C1 335398043 DSNNMBHYTBAGKH-CHWSQXEVSA-N 291.395 0.457 0 50 CCAA CCN(CC1CCOCC1)C(=O)[C@@H]1NCCc2[nH]cnc21 72479159 IZPWIYWWJOPZJE-CQSZACIVSA-N 292.383 0.872 0 50 CCAA C[C@@H]1CN(C(=O)c2nc[nH]c3nccc2-3)C[C@@H](CO)O1 613859057 XXBZCDGYVKTOGA-BDAKNGLRSA-N 276.296 0.131 0 50 CCAA O[C@]1(Cn2ccnn2)CCCN(Cc2ccccn2)C1 285451832 JRBNHFIROQINCX-CQSZACIVSA-N 273.340 0.700 0 50 CCAA O=C(O)c1cccc(N2C(=O)c3nccnc3C2=O)c1 83251931 PPSQYARPRRDUBP-UHFFFAOYSA-N 269.216 0.975 0 50 CCAA N[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 178268798 CIKDIKRQCULWPM-STQMWFEESA-N 294.399 0.474 0 50 CCAA C[C@H](Cc1ccncc1)NC(=O)c1c[nH]c(=O)cc1O 221366712 YRFNPCYNKAMWME-SECBINFHSA-N 273.292 0.837 0 50 CCAA Cc1nn(C)cc1CNC(=O)N1CCCC[C@H]1CC(N)=O 426548460 GKKAVRIIEIUGAN-LBPRGKRZSA-N 293.371 0.668 0 50 CCAA c1nc(NCCSc2nc[nH]n2)cc([C@@H]2CCOC2)n1 426383764 IEMNQCZLXGSURO-SECBINFHSA-N 292.368 1.303 0 50 CCAA CN(C)c1nc(N2CCC3(CC2)C[C@H](O)CO3)ncc1F 91486170 NNTYUQPMCBQQPR-JTQLQIEISA-N 296.346 0.802 0 50 CCAA COCCN1CC[C@H](CN(C)Cc2c[nH]cn2)C1 97660670 HONKROSZMFAQMX-GFCCVEGCSA-N 252.362 0.810 0 50 CCAA COCCOC1CCN(Cc2nc(CN(C)C)no2)CC1 244723991 MLPSWMOEQTXSBK-UHFFFAOYSA-N 298.387 0.759 0 50 CCAA Cc1nnsc1CN(C)CCn1cc[nH]c1=O 244595103 DOSHDLFIZBXQPN-UHFFFAOYSA-N 253.331 0.468 0 50 CCAA O=C([C@@H]1CNCCO1)N1CCC(N2CCSCC2)CC1 534588232 YOFFSFWXOHJMIK-ZDUSSCGKSA-N 299.440 0.015 0 50 CCAA CN(C)CC(=O)N1CCCN(c2ccccn2)CC1 184666941 CQHJPUHIGXBKSJ-UHFFFAOYSA-N 262.357 0.682 0 50 CCAA O=S(=O)(CC1CCCC1)NC[C@@H]1CCNC[C@H]1O 828866664 HLBXXNIHBLDAHF-NWDGAFQWSA-N 276.402 0.066 0 50 CCAA CCNC(=O)[C@H]1CCN(c2ncnc3[nH]cnc23)C1 823123312 BTRQTLBKHTUNEE-QMMMGPOBSA-N 260.301 0.315 0 50 CCAA CC(C)n1cnnc1[C@H](C)NC(=O)Cn1ccc(=O)cc1 584901055 IVCPZNQMEATTKU-NSHDSACASA-N 289.339 0.898 0 50 CCAA CN(C)[C@@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 823727397 VBLXLVHABVWPIV-MCIONIFRSA-N 287.363 0.259 0 50 CCAA O=C(NCCN1CCC[C@H](CO)C1)c1cc(O)ccc1F 584894373 XBGIOOWXIQFFSS-NSHDSACASA-N 296.342 0.965 0 50 CCAA Cc1nc(O)c(Cl)c(NCCc2nc(N)n[nH]2)n1 584896497 CHVOMSYYBFDLPC-UHFFFAOYSA-N 269.696 0.499 0 50 CCAA COCCN1CC[C@@H](CN(C)C(=O)CN2CCCC2)C1 584899998 ZOHQNHQJDYPSJK-AWEZNQCLSA-N 283.416 0.509 0 50 CCAA Cc1cc(C)n(CCCN(C)c2cncc(C(N)=O)n2)n1 670460943 XAMXDNIYDPYCIK-UHFFFAOYSA-N 288.355 0.915 0 50 CCAA COc1ccc2ncn(C[C@@H]3CCNC[C@H]3O)c(=O)c2c1 670438872 GVHCMQFHJHMKBR-IINYFYTJSA-N 289.335 0.376 0 50 CCAA NCCC[C@@H]1NC(=O)[C@H](C2CCCCC2)NC1=O 670460944 YSMSAAWFRLQPTD-QWRGUYRKSA-N 253.346 0.289 0 50 CCAA COCCN1C[C@H](CNc2nccc(OC)n2)CC1=O 670438034 NVHKEHYQVAFIPC-JTQLQIEISA-N 280.328 0.392 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cnc[nH]2)[C@H]2CCO[C@H]21 1074589245 OWUICKVLEDHJSB-YKDSUIRESA-N 251.286 0.189 0 50 CCAA COc1nccc(C(=O)N2C[C@H]3CCC[C@]3(N)C2)n1 1342286960 FDLLLSMMNLEXCO-RNCFNFMXSA-N 262.313 0.439 0 50 CCAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)Cc1ccn(C)n1 886726719 SCUDEYLYBRTGER-LBPRGKRZSA-N 278.356 0.384 0 50 CCAA Cc1cc(Cl)cc2c(=O)n([C@H]3CNC[C@@H]3O)cnc12 1565507393 JASYUYPNZVEKCM-QWRGUYRKSA-N 279.727 0.864 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)Cn1nc2ccccc2n1 1565509214 RDFHYNBYVJKKRI-QWRGUYRKSA-N 299.334 0.368 0 50 CCAA Cc1nc(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)c[nH]1 276741022 RMWATTPATQVCJG-GXFFZTMASA-N 289.339 0.959 0 50 CCAA O=C(c1cnn[nH]1)N1CCS(=O)(=O)c2ccccc2C1 548518638 ZMCKYPRPTVPYCR-UHFFFAOYSA-N 292.320 0.234 0 50 CCAA NC[C@H]1CN(C(=O)c2ncc3c(F)cccn23)CCO1 638173152 ULMBQLAWHKYUQZ-VIFPVBQESA-N 278.287 0.273 0 50 CCAA CN(C)CC(=O)NCCc1nc(-c2ccccc2)n[nH]1 189783321 WFDODLOCNOPMKI-UHFFFAOYSA-N 273.340 0.692 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1conc1C 643765859 JQHBZFATYIVZES-CYBMUJFWSA-N 267.329 0.710 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C)C1 583619981 FLMDYPHCZDYYMR-HTQZYQBOSA-N 291.277 0.868 0 50 CCAA CN(C)C[C@@H]1CN(C(=O)c2conc2C(C)(C)N)CCO1 565214914 QKWPCENHMCGBAI-SNVBAGLBSA-N 296.371 0.271 0 50 CCAA CCNC(=O)N[C@@H]1CCOC[C@@H]1Nc1ccncn1 1615548307 FKYBVQJDYAIGJD-ZJUUUORDSA-N 265.317 0.365 0 50 CCAA CC(C)(CN1C[C@H](CO)[C@@H](CO)C1)N1CCCCC1 1616138062 SPWAFUSEDZWFIN-ZIAGYGMSSA-N 270.417 0.784 0 50 CCAA Cc1nn(CC(F)(F)F)cc1C(=O)N1CC[C@@H](O)C1 408001400 POAXVELPRSUMEZ-MRVPVSSYSA-N 277.246 0.961 0 50 CCAA O=C(O)Cn1ccc(=NC(=O)C2(C(F)F)CCC2)[nH]1 630136244 XZFJLVUUINYJIB-UHFFFAOYSA-N 273.239 0.764 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(C)no1 643944945 RWIPEZAKYZRTNP-GFCCVEGCSA-N 267.285 0.090 0 50 CCAA CCc1cnc(N)nc1NC[C@@H]1CC(=O)N(CCOC)C1 1704315263 ZCXMTWRRBXOHMB-JTQLQIEISA-N 293.371 0.528 0 50 CCAA COC[C@H]1CN(C(=O)CN2CCCC2=O)CC(C)(C)O1 343735113 PUTREQXPGHOOLS-LLVKDONJSA-N 284.356 0.261 0 50 CCAA CC(C)(C)[C@H](N)C(=O)N(CCO)Cc1ncc[nH]1 1704330896 IBUDTWVCMGKLBI-SNVBAGLBSA-N 254.334 0.104 0 50 CCAA COc1cc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)ccc1F 1704315862 PQSIDGNGNFJFKB-NEPJUHHUSA-N 294.326 0.781 0 50 CCAA O[C@H](CN=c1c(F)c[nH]cc1Cl)Cn1ccnn1 1857530008 JAGLQXGGEJYLFV-SSDOTTSWSA-N 271.683 0.361 0 50 CCAA CN1CCCCC[C@H]1C(=O)NCCc1cnn[nH]1 1857707016 WGIGBTNYPXRWRM-NSHDSACASA-N 251.334 0.338 0 50 CCAA O=C1CO[C@]2(CCN(c3ccc(F)cn3)C2)CN1 1772813049 UMWIZTJLVVCRRO-GFCCVEGCSA-N 251.261 0.316 0 50 CCAA O=C(c1n[nH]c2ccccc12)N1CCC([C@@H](O)CO)CC1 1772712968 XDMYQHHTDNQCCL-ZDUSSCGKSA-N 289.335 0.768 0 50 CCAA O=C(NCc1[nH]nc2ncccc12)c1nnc2n1CCCC2 1772805185 JGEASNFWNLOBEV-UHFFFAOYSA-N 297.322 0.816 0 50 CCAA Cc1nnc2n1C[C@H](CNC(=O)c1cnn3ccn(C)c13)C2 1772703188 CBXJVTJNUOQDDG-JTQLQIEISA-N 299.338 0.175 0 50 CCAA O=C1C[C@@H](c2ccccc2)C(=O)N1CCN1CCOCC1 1857526145 QKRLVARIDNVIEI-AWEZNQCLSA-N 288.347 0.861 0 50 CCAA Cc1cnc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)[nH]1 1857531691 CDIAWPLMAYVLNW-UHFFFAOYSA-N 293.371 0.728 0 50 CCAA N=c1[nH]nc(N2C[C@H](O)[C@H](Cc3ccncc3)C2)s1 1875246707 FXWVKJYKIUDDRG-ZJUUUORDSA-N 277.353 0.385 0 50 CCAA O=C1CC[C@@H](NC(=O)OCc2ccccc2)C(=O)N1 4293833 JJFWWAGUYKLJRN-SNVBAGLBSA-N 262.265 0.718 0 50 CCAA in-vitro CCN1CCN(C(=O)c2cnn(C)c2)C[C@H]1c1ncc[nH]1 328622556 ILWIUOOEIFCLQU-LBPRGKRZSA-N 288.355 0.662 0 50 CCAA Cc1ncccc1NC(=O)C[C@@H]1CS(=O)(=O)CCN1C 644377958 SYWAOWXOWQQZOU-LLVKDONJSA-N 297.380 0.447 0 50 CCAA C[C@H]1CN(S(=O)(=O)c2cn(C)cn2)CCCO1 263933634 LURKBUVVYXDZBC-VIFPVBQESA-N 259.331 0.220 0 50 CCAA CCOc1nc(N[C@@H]2CCC(=O)NC2=O)ncc1Cl 1120908045 SWCDYKPJFGKBKF-SSDOTTSWSA-N 284.703 0.746 0 50 CCAA Cn1nnc2c1[C@@H](C(=O)NOC(C)(C)CO)CCC2 1875283959 JOLNLWYYEWSNIC-QMMMGPOBSA-N 268.317 0.054 0 50 CCAA CN(CCO)Cc1cn([C@@H]2Cc3ccccc3[C@H]2O)nn1 881010291 FBIHBRVRYIHMGX-HUUCEWRRSA-N 288.351 0.533 0 50 CCAA CC1(C(=O)N2CCC[C@H]2c2ccc(N)nn2)CNC1 886096363 CEUGXOSIYGQRBY-JTQLQIEISA-N 261.329 0.332 0 50 CCAA COCc1nccc(N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1 892854296 BGFNPOPNWYJMNI-STQMWFEESA-N 292.383 0.780 0 50 CCAA CCOc1cc(C(=O)NC[C@H]2CCc3nccn3C2)[nH]n1 1775988140 NICOCULDIMQARN-SNVBAGLBSA-N 289.339 0.997 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCC[C@]2(CCNC2)C1 662778018 KUCIJZHJYPHCPD-GFCCVEGCSA-N 274.386 0.023 0 50 CCAA O=C1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 96307053 VZLMDPVZZMKXLT-ZDUSSCGKSA-N 272.304 0.983 0 50 CCAA CCS(=O)(=O)CCN(C)C(=O)[C@H]1CC12CCNCC2 584884958 FTJCFOZLJLREMB-LLVKDONJSA-N 288.413 0.269 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(C)CCCn1cccn1 823647181 GDYLVSWXUNOZNF-NSHDSACASA-N 259.375 0.638 0 50 CCAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1cccnc1 864274947 SODPVURRXVXJHS-GFCCVEGCSA-N 278.308 0.939 0 50 CCAA CO[C@H](C)[C@H](NS(=O)(=O)c1sccc1F)C(=O)O 2325764881 OXQDXOPNPUQIOY-VDTYLAMSSA-N 297.329 0.654 0 50 CCAA CC(C)Cn1cc(S(=O)(=O)N2CC[C@H](O)C23CC3)cn1 2325783847 HFMNWGQSGVDSGG-LBPRGKRZSA-N 299.396 0.827 0 50 CCAA CCC[C@](C)(CO)NC(=O)c1nc[nH]c2ncnc1-2 2325861401 OSUFUKJGJPGIAH-GFCCVEGCSA-N 263.301 0.585 0 50 CCAA CN(N)c1nc(N2CCCC2)nc(N2CCCC2)n1 40832 NAQUCIWMEKCLAU-UHFFFAOYSA-N 263.349 0.382 0 50 CCAA Cn1c(=O)[nH]c(=O)c2ncn(CC(=O)c3ccccc3)c21 203914 KLZXNJWBWOVTCK-UHFFFAOYSA-N 284.275 0.306 0 50 CCAA CCOC(=O)N1CCN(c2cc(Cl)nc(N)n2)CC1 1395142 MPSNLJWSIKJEGX-UHFFFAOYSA-N 285.735 0.991 0 50 CCAA COc1ccccc1NC(=O)C(=O)NCCN(C)C 1813004 WJXWJIPCZLPQPI-UHFFFAOYSA-N 265.313 0.312 0 50 CCAA C[C@@H](NC(=O)CCSc1ncnc2[nH]cnc12)C(=O)O 6295053 TVAZLLARQHCKPM-ZCFIWIBFSA-N 295.324 0.424 0 50 CCAA CCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1 65363857 FQUBLGBGLOJRIG-UHFFFAOYSA-N 256.327 0.832 0 50 CCAA Cc1nc(N(C)C)nc(NCCc2n[nH]c(=O)[nH]2)c1C 67966212 WAGMGISIGQIFBJ-UHFFFAOYSA-N 277.332 0.225 0 50 CCAA CNC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 65362419 OFFGFJGTADUJLM-UHFFFAOYSA-N 256.327 0.750 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N2CCCC[C@H]2CN)C1 252173303 OKRHMULBXBRZDZ-NEPJUHHUSA-N 275.418 0.776 0 50 CCAA O=C(CN1CCOCC1)N1CCN(C2CCCCC2)CC1 127935527 WYSCZPQPGFYKJJ-UHFFFAOYSA-N 295.427 0.796 0 50 CCAA Cc1ccc(N)cc1S(=O)(=O)N1CCN(C)CC1 35360895 FBWITAIJNUNJJD-UHFFFAOYSA-N 269.370 0.513 0 50 CCAA O=c1[nH]cccc1-n1ccnc1-c1cc2n(n1)CCNC2 72419905 ULNXIMYNRAZTFH-UHFFFAOYSA-N 282.307 0.527 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)/C=C/c2ccccc2)CCN1 71479589 CGGWEKUHXNLNSY-SYTKJHMZSA-N 260.293 0.585 0 50 CCAA CC(C)COC[C@H](O)CN1CCS(=O)(=O)C(C)(C)C1 154643878 AJAIOCVKOJUHKT-GFCCVEGCSA-N 293.429 0.529 0 50 CCAA CCN(CC)CCN1CCC[C@H]2C(=O)N(C)C[C@H]21 375529163 ABVVFYOCKVIQRJ-CHWSQXEVSA-N 253.390 0.881 0 50 CCAA CCc1ncnc(N2CCOC[C@H]2c2ncnn2C)c1F 240423755 FQNYYAIYDNXSLX-JTQLQIEISA-N 292.318 0.885 0 50 CCAA Cn1nccc1C1CCN(C(=O)[C@@H]2CNCCO2)CC1 237677660 GMFNSLIVRNBJER-ZDUSSCGKSA-N 278.356 0.115 0 50 CCAA N[C@@H]1CC[C@@H]1NC(=O)CN1CCOc2ccccc2C1 72166746 RRBPWDAUYBAQGD-OLZOCXBDSA-N 275.352 0.487 0 50 CCAA CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(N)=O 72117316 CEFKHPWOOAOSNY-NSHDSACASA-N 286.353 0.725 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cc[nH]n2)C1 286557160 XPFREJOVFVGXBL-RYUDHWBXSA-N 278.356 0.735 0 50 CCAA CC[C@@H](NC(=O)CNC(=O)N(C)C)c1ccnn1C 223793375 OAQUPHLHNUDTOH-SECBINFHSA-N 267.333 0.259 0 50 CCAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@H]2CCC[C@H](O)C2)n1 223877594 NJPSQNDIGVYPNY-QWRGUYRKSA-N 294.355 0.158 0 50 CCAA C[C@@]1(C(=O)NCc2nc(-c3cnccn3)n[nH]2)CCCO1 426563466 WEIGIGAWAQGMPH-ZDUSSCGKSA-N 288.311 0.447 0 50 CCAA COc1cccc(C(=O)N(C)C[C@H](C)O)c1OCCCN 426510340 ZBSSQIBNEBFDBN-NSHDSACASA-N 296.367 0.876 0 50 CCAA O=C(NCCO)c1coc(Cn2cnc3ccccc32)n1 91475160 HITQFJKVBMZRAI-UHFFFAOYSA-N 286.291 0.795 0 50 CCAA O=C(O)[C@@H]1CN(CCO)C[C@H]1c1cccc(F)c1 91452082 ZJGOSVBSIQPJDX-NWDGAFQWSA-N 253.273 0.918 0 50 CCAA Cc1ccn2cc(CNC(=O)c3cnn[nH]3)nc2c1 342271611 LLRQWNXHIFWNSL-UHFFFAOYSA-N 256.269 0.691 0 50 CCAA COCc1nocc1C(=O)N[C@@H](C(=O)OC)C(C)C 253418162 SUSAGQGYFIOHBE-SNVBAGLBSA-N 270.285 0.748 0 50 CCAA CCOCC1(CNC(=O)CCNC(C)=O)CCC1 534639326 MCGYJMBRLIMUMA-UHFFFAOYSA-N 256.346 0.836 0 50 CCAA CN1CCOC[C@@H](CNC(=O)c2cccnc2O)C1 823800999 HARWSBQBCSXHCS-JTQLQIEISA-N 265.313 0.095 0 50 CCAA CC[C@H](C(=O)N(C)C)N(C)Cc1nncn1CCOC 670441743 GUBNIDHIFLXSAK-LLVKDONJSA-N 283.376 0.223 0 50 CCAA Cc1nncn1CCN1CCC[C@@H](C(=O)N2CCCC2)C1 670440263 MRJYABAKUMMQSG-CQSZACIVSA-N 291.399 0.921 0 50 CCAA CC[C@@H](C(=O)NCc1nncn1CCOC)n1cccc1 584886084 LPAPWIRMOZPHRP-LBPRGKRZSA-N 291.355 0.994 0 50 CCAA COCCN1CC[C@@H](C(=O)NCC2(COC)CCC2)C1 670471112 JLZQOINCPSZQNY-CYBMUJFWSA-N 284.400 0.888 0 50 CCAA CC(C)=CCN1CCC2(CC1)CN(C[C@H](O)CO)CCO2 952860018 UPMIOERMYHHKHA-HNNXBMFYSA-N 298.427 0.473 0 50 CCAA C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)CC(N)=O 408056702 KOWGRXKTSDOCKK-WDMOLILDSA-N 268.357 0.794 0 50 CCAA O=C(NS(=O)(=O)C1CCC1)[C@@H]1C[C@@]12CCOC2 408485056 NSVSIOMLJVVOEA-GXSJLCMTSA-N 259.327 0.412 0 50 CCAA CC(C)N1CCC(N(C)C(=O)Cn2cc(CN)nn2)CC1 167410422 JQKHBPNDZOFOQD-UHFFFAOYSA-N 294.403 0.068 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1cn(C(C)C)nn1 701396247 USBKPCOJKGLYNS-ZDUSSCGKSA-N 282.344 0.925 0 50 CCAA CO[C@H]1CN(C(=O)CSCC(N)=O)CC[C@@H]1C 187992353 OLKQGXWRNWXGRU-IUCAKERBSA-N 260.359 0.088 0 50 CCAA CC(=O)[C@](C)(O)Cn1cc(CC2(O)CCCCC2)nn1 641217311 MDEMAMYQIKMCEE-CYBMUJFWSA-N 281.356 0.856 0 50 CCAA C=CC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 585086897 OCKLTUOOUIQIPM-LLVKDONJSA-N 290.319 0.613 0 50 CCAA C[C@@]1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCC(=O)NC1 585091004 LFQPSZDNRFXJRV-DUVNUKRYSA-N 288.347 0.677 0 50 CCAA Cc1c(NC(=O)[C@H](C)N2CCN(C)CC2)cnn1C 1319070699 BBTQTQLBOUJRGB-NSHDSACASA-N 265.361 0.303 0 50 CCAA O=C1NC[C@@]2(CCCN(CCN3CCCC3=O)CC2)O1 1506423023 BXMZYNRKVHMKSA-AWEZNQCLSA-N 281.356 0.573 0 50 CCAA O=C(CSc1ccncc1)NCCN1CCC(O)CC1 220477453 FVKQZGHNRGWOOS-UHFFFAOYSA-N 295.408 0.747 0 50 CCAA CNS(=O)(=O)[C@H]1CCN(Cc2cc(OC)ccn2)C1 156076237 QFIOKDJUYFZRKW-LBPRGKRZSA-N 285.369 0.214 0 50 CCAA N=c1[nH]nc(N2CCN(CC(F)(F)F)CC2)s1 1857673583 OUSDAAIHNIUCBO-UHFFFAOYSA-N 267.280 0.635 0 50 CCAA C[C@@]12C[C@@H]1CN(c1cncc(C(=O)N3CCOCC3)n1)C2 1772809425 WMVQMHJUADSULM-ABAIWWIYSA-N 288.351 0.795 0 50 CCAA O=C1CO[C@]2(CCN(C(=O)c3cccn3C3CC3)C2)CN1 1772804926 FANQKIMXJURRIG-OAHLLOKOSA-N 289.335 0.554 0 50 CCAA Nc1cc(=O)[nH]c(SCC(=O)NC2CCCCC2)n1 5045304 QTIXMNHIILMVDV-UHFFFAOYSA-N 282.369 0.893 0 50 CCAA CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 19867536 VWPOZYQAGQPMQA-UHFFFAOYSA-N 296.392 0.974 0 50 CCAA Cc1nc(N2C[C@@H]3CC[C@H](C2)C(=O)N3)c2[nH]ccc2n1 1857686725 FCEHTKNSPRMPRV-ZJUUUORDSA-N 271.324 0.981 0 50 CCAA Cc1nonc1C(=O)N1CC(N2CCCCC2)C1 1857698971 COXLZTYOMJZJKW-UHFFFAOYSA-N 250.302 0.688 0 50 CCAA CN1CCC[C@H](NC(=O)N[C@H]2CC23CCOCC3)C1=O 527989357 ZJNFFKWHKZQPFX-QWRGUYRKSA-N 281.356 0.476 0 50 CCAA O=C(O)CCNC(=S)NC[C@H]1COc2ccccc2O1 243237792 KNIGQNIMSLVXNJ-VIFPVBQESA-N 296.348 0.765 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCO1 265141545 QKHATVBBJKLPEC-SECBINFHSA-N 281.337 0.972 0 50 CCAA Cc1ccnn1CC(=O)N1CCc2occc2[C@@H]1C(=O)O 910206031 QEJSHSFWFIDOKA-CYBMUJFWSA-N 289.291 0.995 0 50 CCAA C[C@H]1C[C@@H](C(=O)NCCc2nc(O)n[nH]2)CCC1=O 1875254700 OMQDZCIJFUMDDG-YUMQZZPRSA-N 266.301 0.174 0 50 CCAA CCc1nc([C@@H]2CN(C(C)=O)Cc3c[nH]nc32)n[nH]1 1875321728 SSGLDHHLYZKNGT-SECBINFHSA-N 260.301 0.584 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H](CO)[C@H](O)C1CCCCC1 1875377078 RSVRIEBYCVRJOJ-PXRVVVIRSA-N 284.400 0.523 0 50 CCAA COCCN1CCC(=O)N[C@H](CC(C)(C)C)C1=O 1875311014 JMZFWCHJGUVZII-SNVBAGLBSA-N 256.346 0.786 0 50 CCAA Cc1noc(CN2C[C@@]3(F)CCOC[C@@]3(C(=O)O)C2)n1 1875309845 QFKYTQXGDRCEIU-NEPJUHHUSA-N 285.275 0.393 0 50 CCAA N=c1nc(C2CN(c3ncc(C=O)cn3)C2)cc[nH]1 1875368879 BVKPXQPUUOMFLA-UHFFFAOYSA-N 256.269 0.095 0 50 CCAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ncc[nH]1 1875400684 IOHKFRZHPAWDKL-HBNTYKKESA-N 275.312 0.176 0 50 CCAA C=CS(=O)(=O)CCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O 1776007178 WDXBKKWLLRJYNM-GARJFASQSA-N 272.370 0.131 0 50 CCAA Nc1ccnc(CNC(=O)c2ncoc2[C@@H]2CCCO2)n1 1776002500 JRMIFUIIFVJZDX-QMMMGPOBSA-N 289.295 0.828 0 50 CCAA COc1ccnc(N2CCN([C@@H]3CCOC3)CC2)n1 268070226 CGKUPJJITBDXOY-LLVKDONJSA-N 264.329 0.396 0 50 CCAA COC(=O)c1cnc(N2C[C@@H](C)N(C)C[C@@H]2C)nc1 408106718 ZGKQQDOPRUCFKT-ZJUUUORDSA-N 264.329 0.792 0 50 CCAA Cn1c(CCN)nnc1SCCn1cc(Cl)cn1 426445672 SOEXQXSTMMYEMF-UHFFFAOYSA-N 286.792 0.959 0 50 CCAA O=C(NCCCN1CCOCC1)[C@@H]1CCCNCC1 534666890 LYOWWSMPUXFVTP-CYBMUJFWSA-N 269.389 0.215 0 50 CCAA CCn1cc(C(=O)N2CCC[C@@H]2C(=O)O)c(C)n1 630173190 UZJHSJCBYLCGJF-SNVBAGLBSA-N 251.286 0.901 0 50 CCAA C[C@H]1CN(C(=O)C2=NN(C)C(=O)CC2)C[C@]1(C)C(=O)O 710177696 QWPVVSXCVJAQGD-SDBXPKJASA-N 281.312 0.164 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2C[C@H](NS(=O)(=O)C3CC3)[C@@H]2C1 903538986 YSSYLGNNKRPCMW-ZXZZCXTASA-N 259.327 0.568 0 50 CCAA c1cnn(C2(CNc3ccc4nnnn4n3)CC2)c1 1262708016 NRJKDAFZXPMIFB-UHFFFAOYSA-N 256.273 0.317 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)[C@@H]1CCCO1 1875309568 CMYNHXWURWCUBL-XKNYDFJKSA-N 255.270 0.008 0 50 CCAA C[C@H]1CCn2c(C(=O)NC[C@@H]3C[C@@H](N)C[C@@H]3O)cnc2C1 2325798864 GESRVEQAGGLLQH-KQXIARHKSA-N 292.383 0.293 0 50 CCAA O=C(NCCO)/C(=C\c1ccco1)NC(=O)c1ccco1 4891535 AUGZNZLWWCDJLJ-PKNBQFBNSA-N 290.275 0.752 0 50 CCAA CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1 8477066 ULHHBNJUJTWDDZ-UHFFFAOYSA-N 262.375 0.574 0 50 CCAA CN(CCn1ccc2ccccc21)C(=O)Cc1n[nH]c(=O)[nH]1 20869479 MENQKUAXYVIFCV-UHFFFAOYSA-N 299.334 0.754 0 50 CCAA O=S(=O)(NCc1ccno1)c1ccc2c(c1)OCCO2 349503383 MPOBURYWXZFRDS-UHFFFAOYSA-N 296.304 0.924 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(F)ccc1OC 67673054 SNQWUXXQWAEERA-ONGXEEELSA-N 295.314 0.122 0 50 CCAA CC(C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 180997758 CIBPXLJEAPEGHK-WCQYABFASA-N 294.351 0.761 0 50 CCAA COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C 35993525 UWAAPSLFKVWKBR-UHFFFAOYSA-N 284.381 0.940 0 50 CCAA C[C@H](Cc1cnccn1)NC(=O)C(=O)c1cccn1C 215055343 KPSSSYYHMARGGT-SNVBAGLBSA-N 272.308 0.745 0 50 CCAA CN1CCN(C(=O)C2(N)CC2)C[C@H]1c1ccccc1 71767902 GGQJCPLMIVXCAG-ZDUSSCGKSA-N 259.353 0.993 0 50 CCAA C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)C[C@H]1CCCO1 257366161 LYXHBDPRJJFASX-GMTAPVOTSA-N 262.375 0.035 0 50 CCAA CC[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H](C)[S@@]1=O 329209022 YWEFPHVJEOQVHK-ZEAWXOLYSA-N 258.347 0.242 0 50 CCAA COc1ccc(Cn2ccnc2S(=O)(=O)CCO)cc1 490438795 SQYDRHHBMHJRGM-UHFFFAOYSA-N 296.348 0.706 0 50 CCAA C=CC(=O)NCCC(=O)NC1CN(C(=O)OC(C)(C)C)C1 490644199 AKEDUZXUYYFDNU-UHFFFAOYSA-N 297.355 0.414 0 50 CCAA NC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)nc1 262231563 AGIVAKOFHKSQNV-SNVBAGLBSA-N 277.280 0.260 0 50 CCAA C[C@@H]1CN(S(=O)(=O)Cc2noc(C3CC3)n2)CCO1 1365630239 LEYUMXWENAIIAI-MRVPVSSYSA-N 287.341 0.498 0 50 CCAA O=C(c1ccc[nH]c1=O)N1CCO[C@@H](C(F)(F)F)C1 71615120 PSPNQNAOYCNXNO-MRVPVSSYSA-N 276.214 0.778 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1Cc1ccc(C(=O)N(C)C)[nH]1 284576588 NQRKYUCWZRAYDP-STQMWFEESA-N 295.383 0.952 0 50 CCAA O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc2[nH]nnc2c1 45075591 GHFJMNWLYLUBMN-QMMMGPOBSA-N 294.336 0.122 0 50 CCAA Cc1nc(O)c2c(n1)CCN(C(=O)c1cnc(C)[nH]1)CC2 426503555 RDGBOPILSMDFHB-UHFFFAOYSA-N 287.323 0.763 0 50 CCAA Cc1n[nH]c(C)c1CCCNC(=O)Cc1nc(O)n[nH]1 426420483 DYXPLBPOQYWNNL-UHFFFAOYSA-N 278.316 0.142 0 50 CCAA CC(=O)NC(C)(C)C(=O)N1CC(c2ccncc2)C1 426628269 NMKYJERQGYLBIT-UHFFFAOYSA-N 261.325 0.922 0 50 CCAA CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CNCC[C@H]1O 91326694 FWJVUFXCUGVATA-DGCLKSJQSA-N 280.372 0.479 0 50 CCAA Nc1ccsc1C(=O)N1CCNC[C@@H](C(=O)O)C1 97244061 NKEUXRXYSAXQKJ-SSDOTTSWSA-N 269.326 0.077 0 50 CCAA O=C(NCCNC(=O)c1ccon1)c1ccc(F)cc1 97117378 QHBKWKUROWXPFJ-UHFFFAOYSA-N 277.255 0.974 0 50 CCAA COCCN1CC[C@H](C(=O)NCCn2cnc(C)c2C)C1 244724061 MMWRNLSBOCMWHR-AWEZNQCLSA-N 294.399 0.584 0 50 CCAA CCn1[nH]c(C)nc1=NC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 622106627 REGGOAVDUNAXGX-SNVBAGLBSA-N 288.355 0.803 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2ccc(CN)cc2)CC1=O 299751672 RGKOUXMAGQEWIO-DDTOSNHZSA-N 287.363 0.884 0 50 CCAA CCNC(=O)[C@H]1CCN(C(=O)CCCn2cccn2)C1 252490391 KSKZKTCYDRLUFV-LBPRGKRZSA-N 278.356 0.648 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)NCCn2ccnn2)n1 252479641 BJBDIELOKLKOAC-NSHDSACASA-N 262.317 0.469 0 50 CCAA CSCCN1CCN(C(=O)c2cnc(O)nc2O)CC1 299780051 SPYBVPCDPKESKI-UHFFFAOYSA-N 298.368 0.009 0 50 CCAA CCc1nc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)n[nH]1 299759370 RFXAQROZDJPOCS-QWRGUYRKSA-N 289.343 0.304 0 50 CCAA Cn1ncc2c(=O)n(CCC[C@H]3CCOC3)cnc21 647115685 VFOSWHXNXPIIJF-JTQLQIEISA-N 262.313 0.947 0 50 CCAA CN1CCC(CNC(=O)C[C@@H]2CCOC2)(N(C)C)CC1 823759396 DOIPBTFTSCUMKU-ZDUSSCGKSA-N 283.416 0.555 0 50 CCAA CC(C)Cc1nc(CNS(=O)(=O)N2CCCC2)no1 821487674 QKYYENLVDYIYHT-UHFFFAOYSA-N 288.373 0.698 0 50 CCAA CN(C)C(=O)NCC(=O)N(C)C[C@H]1CCN(C)C1(C)C 827881245 TZKCBLARLAPEOR-LLVKDONJSA-N 284.404 0.446 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)CN1CCCC1 584895587 KOIILYSGAKIOBD-LLVKDONJSA-N 281.360 0.198 0 50 CCAA CCC1=NO[C@@H](C(=O)NCc2csc(N)n2)C1 584889014 APQOMIFJLLZOJQ-MRVPVSSYSA-N 254.315 0.896 0 50 CCAA O=C1NC(=O)[C@]2(CCCN(Cc3cnn(CCF)c3)C2)N1 1333791797 SIJVQWGLKCHDKS-CYBMUJFWSA-N 295.318 0.027 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CO)C[C@@H]1c1ccc2c(c1)OCO2 1565527649 YRSXFRFGWZCCAK-ZJUUUORDSA-N 293.275 0.034 0 50 CCAA CC1(C)C[C@@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)O1 272520439 RUKCCXPZXBDIKR-MRVPVSSYSA-N 292.339 0.651 0 50 CCAA CCN(CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1)C1CC1 189989519 MGLOYMVXYHAISF-DZGCQCFKSA-N 292.383 0.851 0 50 CCAA O[C@]1(Cn2ccnn2)CCN(Cc2ccc3c[nH]nc3c2)C1 671492980 PXPZPOGCZOFIRG-OAHLLOKOSA-N 298.350 0.791 0 50 CCAA O=C(Nc1ccc2c(c1)B(O)OCC2)[C@@H]1CCCCO1 584916633 XTTFFABMWHLHPU-ZDUSSCGKSA-N 275.113 0.454 0 50 CCAA CN(Cc1ccc(-n2cccn2)cc1)C(CO)CO 65455367 CEHRIWZLANWFRU-UHFFFAOYSA-N 261.325 0.657 0 50 CCAA O=S1(=O)CCC[C@H](N=c2nc[nH]n3cccc23)C1 1875288534 KHAHXQAYORTVQA-VIFPVBQESA-N 266.326 0.140 0 50 CCAA CN=c1[nH]nc(SC[C@H]2CC(F)(F)C(=O)N2)s1 1875275609 CLMPVJBELLLCQU-SCSAIBSYSA-N 280.325 0.618 0 50 CCAA C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@H]1C[C@H]1C(=O)O 262371744 GKSGQIFIHYKPJK-DOLQZWNJSA-N 257.286 0.017 0 50 CCAA C[C@@H]1SCCn2c(CN3CCOCC3)nnc21 1775979580 MGSNUKPBHOTBAD-VIFPVBQESA-N 254.359 0.918 0 50 CCAA CCCc1cc(N2CC[C@]3(CNC(=O)CO3)C2)nc(C)n1 1772819853 VUHSDFCRUMVLFS-HNNXBMFYSA-N 290.367 0.833 0 50 CCAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4ncc[nH]4)[C@@H]2CC(=O)N13 1875250686 XAELJYFLQVVPPB-ZOWXZIJZSA-N 290.367 0.967 0 50 CCAA CC(C)(C)OC(=O)N[C@H](CCCCNC(N)=O)C(=O)O 2517134 XJBRHHKYGXHMDX-MRVPVSSYSA-N 289.332 0.803 0 50 CCAA in-vitro COCCn1ccc(=NC(=O)N2CCC[C@](C)(O)CC2)[nH]1 331530369 WJVYJGDVGFCTNI-AWEZNQCLSA-N 296.371 0.720 0 50 CCAA Cc1ncc(C(=O)NC[C@]2(O)CCOC2)c(C(C)C)n1 239359508 AEIUAHYNAHZWJQ-CQSZACIVSA-N 279.340 0.790 0 50 CCAA COC[C@H](O)CN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 245512713 ARFIJRVYEGRWSS-YUTCNCBUSA-N 282.384 0.469 0 50 CCAA C[C@H]1CNCCN1C(=O)c1cn(-c2ccccc2)nn1 125644820 IOMQJUOKKCJDQS-NSHDSACASA-N 271.324 0.701 0 50 CCAA CN1CCC2(CCCN2C(=O)[C@@H](O)c2cnc[nH]2)CC1 867144625 KNEVKASTFRFMOS-LBPRGKRZSA-N 278.356 0.530 0 50 CCAA O=C([C@H]1CN2CCCN1CC2)N1CCCc2n[nH]cc2C1 952891221 CFDLDQZRTBWKSX-CQSZACIVSA-N 289.383 0.074 0 50 CCAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)CC1 1875266791 XBZABFKZRMHOLO-OLZOCXBDSA-N 297.399 0.526 0 50 CCAA C[C@](N)(CO)C(=O)NC[C@H](O)c1ccc2ccccc2c1 1875273566 KJZQXSPBPQMJRK-HOCLYGCPSA-N 288.347 0.699 0 50 CCAA C[C@@H]1CCC[C@]1(NC(=O)/C=C/CN(C)C)C(N)=O 1875375369 BDSQWHGZSSRNJO-HIGLLMRHSA-N 253.346 0.265 0 50 CCAA O=C(Cc1ccc[nH]1)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 888079440 DLSCOPXCCPLOIK-DMDPSCGWSA-N 260.297 0.244 0 50 CCAA CCN1CCN(CC(=O)NCCc2ccccc2)CC1 20608802 VYEOLWMRSQFXKR-UHFFFAOYSA-N 275.396 0.983 0 50 CCAA N[C@H]1CCN(S(=O)(=O)c2cccc3ncccc23)C1 158372731 DGOFOADSQUDCGX-JTQLQIEISA-N 277.349 0.957 0 50 CCAA Cn1ccnc1SCCN1C[C@@H](C(=O)O)CC1=O 65461873 ICKFFDXITLTCBA-QMMMGPOBSA-N 269.326 0.445 0 50 CCAA COc1ccncc1CN1C[C@H](OC)C[C@H]1CO 311159681 YCBZDKPBRNDIDB-NWDGAFQWSA-N 252.314 0.672 0 50 CCAA CN(CC(=O)N1CCCC1)C[C@@H]1CCc2nccn2C1 328645104 RYOLNQGSRTZUQP-ZDUSSCGKSA-N 276.384 1.000 0 50 CCAA CCCc1nnc(N2CC[C@](O)(CN(C)C)C2)o1 95358911 QATGZFWOIHAKSL-LBPRGKRZSA-N 254.334 0.525 0 50 CCAA COCCOCC(=O)N1CC[C@H](O)CC(C)(C)C1 395422471 GRPUAKCYTUXZDY-NSHDSACASA-N 259.346 0.659 0 50 CCAA CONS(=O)(=O)c1ccc(OCC(=O)OC)cc1 1428452 ZBNXOAZBMKLLKT-UHFFFAOYSA-N 275.282 0.078 0 50 CCAA Nc1ccc2c(C(=O)O)c(CC(=O)O)c(=O)oc2c1 2325818425 VTOILGOPGNVACQ-UHFFFAOYSA-N 263.205 0.701 0 50 CCAA COc1nccnc1NS(=O)(=O)c1ccc(N)cc1 2097 KXRZBTAEDBELFD-UHFFFAOYSA-N 280.309 0.868 0 50 CCAA world CNC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 443971 UJZPVSSJJJLLQZ-UHFFFAOYSA-N 272.326 0.207 0 50 CCAA CCOC(=O)C1=C(C)N[C@]2(O)c3ccccc3C(=O)[C@]12O 2461324 AANNAPQFFOIMQA-CABCVRRESA-N 289.287 0.199 0 50 CCAA CNC[C@H]1CCCN1S(=O)(=O)N1CCC[C@H](C)C1 133182069 SGWWLJFBNMMEFZ-NWDGAFQWSA-N 275.418 0.647 0 50 CCAA CCS(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)C)C1 10302141 SJXRJYTZIMDISX-JTQLQIEISA-N 276.402 0.963 0 50 CCAA COc1ccc(NC(=O)C[C@@H]2NCCNC2=O)c(OC)c1 9483967 QVTJXYPNMNRGMG-NSHDSACASA-N 293.323 0.120 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)C[C@H]1CCCO1 246952077 DDOISEDHFICPNI-FRRDWIJNSA-N 288.413 0.664 0 50 CCAA CCn1nccc1CCN1C[C@H](OC)C[C@H]1CO 344669371 CEVNKZJLWNUDMO-QWHCGFSZSA-N 253.346 0.527 0 50 CCAA CC(=O)N1CCN(Cc2cccn2-c2ncccn2)CC1 20637044 GNXIPNOECICYMZ-UHFFFAOYSA-N 285.351 0.931 0 50 CCAA O=C(COc1cccc(-n2cnnc2)c1)N1CCOCC1 65406678 AGSJOCAVHGRJQX-UHFFFAOYSA-N 288.307 0.505 0 50 CCAA O=C(NCCn1cccc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 409414033 MVIHOINAAAEJLT-UHFFFAOYSA-N 298.302 0.448 0 50 CCAA Cc1ncc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c(O)n1 1073384984 XPGZHTNTOHQGHY-MNOVXSKESA-N 291.307 0.673 0 50 CCAA O=C(N=c1ccc(C2CC2)n[nH]1)[C@H]1CCCCS1(=O)=O 329554894 DNOOUGRYMXGAAX-LLVKDONJSA-N 295.364 0.682 0 50 CCAA O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CNCCO1 215610511 MJMSJUYWLZEUIX-LBPRGKRZSA-N 274.324 0.210 0 50 CCAA CCCn1ccnc1CNC(=O)c1cnc(C)[nH]c1=O 218940347 YQPHOXYZYDLHSH-UHFFFAOYSA-N 275.312 0.615 0 50 CCAA Cc1nc(CN2CCN(C(=O)c3ccnn3C)CC2)no1 332090428 LFZRSPAYVGHDIW-UHFFFAOYSA-N 290.327 0.070 0 50 CCAA O=C(O)[C@H]1CN(C(=O)COCC2CC2)C[C@@H]1C1CC1 262009761 FIVFATYSJVRLNW-NEPJUHHUSA-N 267.325 0.982 0 50 CCAA C[C@H]1CC2(CCNCC2)CN1C(=O)CCn1ccnn1 333356984 CFHNTEIBOATZOO-LBPRGKRZSA-N 277.372 0.659 0 50 CCAA O=C1CCCc2occ(C(=O)N3CCC[C@](O)(CO)C3)c21 72164739 XYOIWVKZYXBUNS-OAHLLOKOSA-N 293.319 0.758 0 50 CCAA CN(C)c1ccc(CCNC[C@@]2(O)CCCNC2)cc1 72418369 PKFDUOBWBXFACN-MRXNPFEDSA-N 277.412 0.999 0 50 CCAA C[C@@H]1COCC[C@H]1CNC(=O)N1CCNC(=O)CC1 334747940 KIIAEEIYFVCDEA-MNOVXSKESA-N 269.345 0.191 0 50 CCAA COc1cccc(CN2C[C@H](F)C[C@H]2C(N)=O)n1 284752022 VRXCCLPOJNWNIZ-SCZZXKLOSA-N 253.277 0.488 0 50 CCAA CC1CCN(S(=O)(=O)N[C@H](C)c2nncn2C)CC1 47331403 BCVCSRDFXBDYPK-SNVBAGLBSA-N 287.389 0.442 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)c2nc[nH]c3nccc2-3)[C@@H]1OC 613514103 PNSCRBYGKGJGHM-UMNHJUIQSA-N 290.323 0.832 0 50 CCAA CC(C)(C)N1C[C@H](CNC(=O)CCC(=O)O)CC1=O 426420525 FRZTYGVWKUDMPY-VIFPVBQESA-N 270.329 0.614 0 50 CCAA Cc1nc(CNC(=O)c2cn3cccc(C)c3n2)n[nH]1 426589977 MVJNGFPLIUGBOC-UHFFFAOYSA-N 270.296 0.999 0 50 CCAA CCc1cc(C(=O)NC[C@@H](O)CN2CCCC2)cc(=O)[nH]1 97179385 VAPZWECCXBSRHB-CYBMUJFWSA-N 293.367 0.124 0 50 CCAA COCCNC(=O)C[C@H]1C(=O)N=C2Nc3ccccc3N21 95117653 XAJHNFGMEDVONW-NSHDSACASA-N 288.307 0.336 0 50 CCAA CO[C@H]1CCN(S(=O)(=O)c2cn(C)c(C)n2)C1 267731179 KHRKANNHVICERN-VIFPVBQESA-N 259.331 0.138 0 50 CCAA C[C@@H]1OCCN(C(=O)Nc2ccc(C(N)=O)nc2)[C@@H]1C 180596490 OWOHWAAFZCIXLA-BDAKNGLRSA-N 278.312 0.822 0 50 CCAA CC(C)Cc1noc(CNC(=O)Cn2ccc(=O)cc2)n1 244874387 XAJPMNXIIBKCKF-UHFFFAOYSA-N 290.323 0.746 0 50 CCAA Cc1nnnn1-c1ccc(C(=O)N[C@H](CO)C(C)C)cc1 252496679 POLYQQCUNVYRNF-CYBMUJFWSA-N 289.339 0.717 0 50 CCAA O=S(=O)(c1cccs1)N1CCO[C@]2(CCOC2)C1 184295937 UCKYEOYDRSVUIQ-LLVKDONJSA-N 289.378 0.928 0 50 CCAA O=C(c1ccccc1Cn1ccnn1)N1CCO[C@@H]2C[C@H]21 622876933 VWSGVQIRQAIQHM-ZIAGYGMSSA-N 284.319 0.940 0 50 CCAA COCCn1cnnc1CN(C)CCN1C[C@H]2CC[C@@H]1C2 252497619 QKWYJRQRFYDKAZ-UONOGXRCSA-N 293.415 0.841 0 50 CCAA CC(C)[C@H](NC(=O)NCCCn1cccc1)C(N)=O 534647195 VYHFRXZMXLNLDQ-NSHDSACASA-N 266.345 0.687 0 50 CCAA O=C(O)[C@@H]1COCCN(C(=O)COCc2ccccc2)C1 700397398 QBXRLBCEIAEKMZ-ZDUSSCGKSA-N 293.319 0.763 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C1Cc2ccccc2C1 299800439 WPFQIKWMEZQDSF-HIFRSBDPSA-N 273.380 0.692 0 50 CCAA Cc1cccc2ncn(CCCc3nn[nH]n3)c(=O)c12 584902854 IBRLATXVIGMYRS-UHFFFAOYSA-N 270.296 0.851 0 50 CCAA CC(C)C[C@@H](O)C(=O)N1CCC(=O)N(CCN(C)C)CC1 820955024 MKOSWAIDKCQDDI-CYBMUJFWSA-N 299.415 0.016 0 50 CCAA CCc1ccc(Cn2nc(CC(N)=O)nc2[C@H](C)O)cc1 823517644 WCTIRFKJMRJZFP-JTQLQIEISA-N 288.351 0.970 0 50 CCAA Cc1nnnn1CCC(=O)N(C)C[C@H]1CC1(C)C 584887445 HWLIPXVIWJYLSR-SNVBAGLBSA-N 251.334 0.876 0 50 CCAA COCCN1CC[C@H](CN(C)c2ncccc2C(N)=O)C1 670467801 KKEFSAXNYOPIDT-GFCCVEGCSA-N 292.383 0.585 0 50 CCAA COCCn1cnnc1CN(C)S(=O)(=O)C(C)C 670454613 ARIHVMGSBQUQKB-UHFFFAOYSA-N 276.362 0.095 0 50 CCAA CC(C)(C(=O)NCCS(C)(=O)=O)n1cccc1 670438891 XSIULJIMTQPYES-UHFFFAOYSA-N 258.343 0.384 0 50 CCAA O=C1CCCCN1CCCC(=O)N1CC[C@@H](CO)C1 952981975 ZDFXEIYOEHZFPA-GFCCVEGCSA-N 268.357 0.620 0 50 CCAA C[C@H]1CN(C(=O)COc2ccccc2O)CCS1(=O)=O 269617266 SUSCWYNFZXSKLI-JTQLQIEISA-N 299.348 0.417 0 50 CCAA O=C1C[C@H](C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCN1 305205427 YMPHOPXPIDGOCD-SCDSUCTJSA-N 274.320 0.287 0 50 CCAA C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N(C)CC(N)=O 408474025 ZLPCXEMGKUGDLC-GHMZBOCLSA-N 276.340 0.098 0 50 CCAA CC(C)[C@H](N)C(=O)N1CCN(Cc2nccn2C)CC1 170070452 VTTCAHPYHOAPGT-ZDUSSCGKSA-N 279.388 0.048 0 50 CCAA CCC(CC)C(=O)NCc1cn([C@@H]2CCOC2=O)nn1 585138869 OXPFZJXADQGSAW-LLVKDONJSA-N 280.328 0.819 0 50 CCAA O=C(Nc1cnnn1-c1ccccc1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 640306740 QADUXUBLBDRABS-ITGUQSILSA-N 299.334 0.969 0 50 CCAA C[C@@](O)(CN1CC[C@H](S(N)(=O)=O)C1)c1ccccc1 772225895 IIRLJCDCZPVBJK-QWHCGFSZSA-N 284.381 0.257 0 50 CCAA CCOC1CC2(C1)C[C@@H]2NC(=O)c1cnc(C(=O)O)cn1 1603827346 CVIJFVCSJQUUPN-PGMTZQPISA-N 291.307 0.862 0 50 CCAA Cc1c(Cl)c(C(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)nn1C 1615746975 ZAMMXMWWKPYEKA-IUCAKERBSA-N 296.758 0.932 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ncoc3C)C[C@@H]2O)on1 1704280582 LRYWNVAKLTVTNQ-PWSUYJOCSA-N 291.307 0.955 0 50 CCAA O=C(c1cc[nH]c1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704352213 VLDPPHSWHVYBAT-DGCLKSJQSA-N 272.308 0.480 0 50 CCAA COc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)cc1 1704315346 AEXWFBQEVSPTRC-OLZOCXBDSA-N 276.336 0.642 0 50 CCAA O=C(CCNc1ncc(Cl)cn1)N1CCOCC1 134855289 MDEVKCYSXLKASM-UHFFFAOYSA-N 270.720 0.791 0 50 CCAA CC(C)S(=O)(=O)CCCN1CCCS1(=O)=O 122949943 DPFXWILPMOYDOI-UHFFFAOYSA-N 269.388 0.235 0 50 CCAA COCCN(CC(=O)O)S(=O)(=O)c1c(C)noc1C 35287549 CFTWTJJSMDXLEW-UHFFFAOYSA-N 292.313 0.013 0 50 CCAA in-vitro Cc1nc(N)[nH]c1C(=O)N1CCC[C@@H]1C1(O)CC1 1772816478 NGORPLDUEMOWEJ-MRVPVSSYSA-N 250.302 0.430 0 50 CCAA CN1CCC[C@@](O)(CNCCc2ccccc2F)C1=O 12298219 SLYDEOQURPIYNG-OAHLLOKOSA-N 280.343 0.941 0 50 CCAA CN(CCCCN1CCOCC1)c1cncc(N)n1 1857679279 RPCAAUGUODRUAX-UHFFFAOYSA-N 265.361 0.607 0 50 CCAA COCCC1(C(=O)N2CCN(C(=O)COC)CC2)CC1 159143561 FURUMKCJTKBREX-UHFFFAOYSA-N 284.356 0.120 0 50 CCAA Cc1nn(C)c2c1[C@@H](NC(=O)CN1CCOC1=O)CCC2 1857681493 LGUJPFFFTMEEHU-JTQLQIEISA-N 292.339 0.674 0 50 CCAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CN)CC2 1857673540 KPQUDDZWEZJDKM-UHFFFAOYSA-N 284.363 0.973 0 50 CCAA COCCn1nc(CC(N)=O)nc1-c1cnc(C)cc1C 1857675615 FRRQELKUQJFCLU-UHFFFAOYSA-N 289.339 0.631 0 50 CCAA Nc1cncc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)n1 1857678065 RODYVLFMMVIKDZ-WDEREUQCSA-N 283.335 0.844 0 50 CCAA Cc1ncc(C(=O)N2C[C@@H]3CC[C@H](N)[C@H]3C2)c(C)n1 248692755 YDBACHGWTLHNPC-DRZSPHRISA-N 260.341 0.903 0 50 CCAA C[C@@]1(O)CCOC2(CCN(S(C)(=O)=O)CC2)C1 1704299608 OJPWHAMUAWXVQH-SNVBAGLBSA-N 263.359 0.342 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(F)cc1O)C2 1704303414 IMYFCXXEHYXPFY-JQWIXIFHSA-N 294.326 0.934 0 50 CCAA CCn1cnc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)c1 864281830 XKAOMJLLSUMMFN-LLVKDONJSA-N 295.339 0.760 0 50 CCAA Cc1nonc1CNC(=O)N1CC[C@H](N2CCCC2)C1 876438902 CBXCJYCIPSVGAJ-NSHDSACASA-N 279.344 0.758 0 50 CCAA COC(=O)C[C@H]1CCN(C(=O)C2(O)CC2)C2(CC2)C1 1875313556 ULEJXNFSQXYXIT-SNVBAGLBSA-N 267.325 0.846 0 50 CCAA Cc1cccn2c(=O)cc(N3CC(=O)N(C)C[C@H]3C)nc12 1875305680 YAMMDIKNPNMHPQ-LLVKDONJSA-N 286.335 0.670 0 50 CCAA Cn1c(CO)nnc1[C@@H]1CCCN(c2cc(N)cnn2)C1 1875331465 ISFAWUHNRCRUPC-SECBINFHSA-N 289.343 0.064 0 50 CCAA Cn1cc([C@]2(CNC(=O)Cc3ccon3)CCCO2)cn1 890153501 ARNCXOJDMPDFMC-CQSZACIVSA-N 290.323 0.773 0 50 CCAA CCN1CCN(c2cnc(CO)cn2)C[C@@]12CCOC2 1775962032 OPJCPBWYARIVAF-CQSZACIVSA-N 278.356 0.270 0 50 CCAA CN1CCN(CC(=O)N2CCc3ccccc32)CC1 19795011 QUBOYASNTYZVCQ-UHFFFAOYSA-N 259.353 0.823 0 50 CCAA CCc1nsc(N[C@@H]2CCCN(S(C)(=O)=O)C2)n1 301497942 DDLSQEOULXTZMA-MRVPVSSYSA-N 290.414 0.936 0 50 CCAA CC(C)(C)c1nsc(N2CCC[C@](O)(C(N)=O)C2)n1 311615322 KKHHQGSPUNSQDN-GFCCVEGCSA-N 284.385 0.652 0 50 CCAA COc1ccc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1F 629223336 FDFATKUQNNZGDU-QWRGUYRKSA-N 269.272 0.714 0 50 CCAA O=C(O)CCNC(=O)NCc1ccc2nsnc2c1 828027288 LBZMMLAPONBPGU-UHFFFAOYSA-N 280.309 0.965 0 50 CCAA Cn1[nH]c(CSCCc2cnccn2)nc1=O 2325772705 SUIJCIUXRIMLSG-UHFFFAOYSA-N 251.315 0.374 0 50 CCAA C[C@H]1CN(C(=O)C(=O)N2C3CCC2(C)CC3)CCN1 2325774445 BAKDZYWZWBRGRJ-IFQILLTASA-N 265.357 0.350 0 50 CCAA O=c1c2c3c(sc2ncn1C[C@H](O)CO)CCCC3 151079 JTRZWCKGTOGJOO-QMMMGPOBSA-N 280.349 0.690 0 50 CCAA CCOC(=O)CCc1c(C)[nH]c2nc(SC)nn2c1=O 100137551 ZEVIQMLIWSJQPU-UHFFFAOYSA-N 296.352 0.944 0 50 CCAA CN1CCO[C@H](C(=O)N(C[C@H]2CCCN2)C2CC2)C1 249074634 AROOAZNMAAIWBF-YPMHNXCESA-N 267.373 0.060 0 50 CCAA CS(=O)(=O)CCn1ccnc1-c1ccc(CO)o1 72419715 YITLFNBVLRDYDS-UHFFFAOYSA-N 270.310 0.680 0 50 CCAA CN1CC2(CCN(c3ncc(F)cn3)CC2)C[C@H]1C(=O)O 72133538 XECDUKPFLVBUCQ-NSHDSACASA-N 294.330 0.991 0 50 CCAA C[C@H](NC(=O)c1cnn[nH]1)c1ccc(-n2cncn2)cc1 72145820 RYBDIBLGEWFHCD-VIFPVBQESA-N 283.295 0.876 0 50 CCAA Cn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CCOC2)C1 328719295 QFCQPXAOYIVXCF-RISCZKNCSA-N 278.356 0.936 0 50 CCAA CN(C)c1ncccc1N(C)C(=O)[C@H]1CCS(=O)(=O)C1 331165627 HRZRBDLJBUNIMT-JTQLQIEISA-N 297.380 0.545 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@@H](C)N1 153361704 KIJXXLSOJGCDRJ-GHMZBOCLSA-N 291.351 0.373 0 50 CCAA COCc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)o1 332677973 JKRBTHFMYIJMKH-IUCAKERBSA-N 257.261 0.971 0 50 CCAA CC(C)c1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)n(C)n1 236600670 OJMIGUHNAPCOGA-JTQLQIEISA-N 295.339 0.859 0 50 CCAA Cn1c(S)nnc1CCNC(=O)c1ccc(N)cc1 156343361 GPXNUAHJGARGOW-UHFFFAOYSA-N 277.353 0.659 0 50 CCAA O=C(Cc1ccc(-n2cnnn2)cc1)NCCc1cnc[nH]1 214965675 UFZYFTNWPMNNDH-UHFFFAOYSA-N 297.322 0.287 0 50 CCAA O=C(c1ccccc1Cn1cncn1)N1CCNCC1 237881238 YDCDVNNONNYTMR-UHFFFAOYSA-N 271.324 0.372 0 50 CCAA Nc1nccnc1C(=O)N1CCC[C@H](CCC(=O)O)C1 262257484 TWWHXVIJGPDGLK-SECBINFHSA-N 278.312 0.776 0 50 CCAA COC1(c2ccccc2)CN(CCS(C)(=O)=O)C1 242038582 VMHDNHHODHWUNW-UHFFFAOYSA-N 269.366 0.889 0 50 CCAA CN(CCCn1cccn1)C(=O)CN1CCC[C@H](O)C1 219307084 AOXQYSPXPDKUIT-ZDUSSCGKSA-N 280.372 0.188 0 50 CCAA C[C@@H](C(=O)NS(=O)(=O)c1cnn(C)c1)C1CC1 176521018 DEBDAXUIJGXCGO-SSDOTTSWSA-N 257.315 0.271 0 50 CCAA CC(C)(C(=O)NCCCn1ccnn1)N1CCCC1 426674386 VLHAVHLBYALNCV-UHFFFAOYSA-N 265.361 0.659 0 50 CCAA Cc1cc(C)nc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 222330512 DJUKSIVTGHAFTJ-DBIOUOCHSA-N 273.292 0.760 0 50 CCAA CCCOCCN1CCC(c2nccn2CC(N)=O)CC1 95516459 NLMBRGZQMAZNLQ-UHFFFAOYSA-N 294.399 0.974 0 50 CCAA C[C@@H]1CN(CC(=O)NC(N)=O)Cc2ccccc2O1 292376966 JHCPADIHESZAED-SECBINFHSA-N 263.297 0.464 0 50 CCAA CCCN1C[C@H](C(=O)NCCc2cnn[nH]2)CCC1=O 426690509 CZRRTOSIAQXTDZ-SNVBAGLBSA-N 279.344 0.112 0 50 CCAA Cc1nc(CC(C)C)cc(C(=O)N2CCO[C@H](CN)C2)n1 244691568 JFCOSBCDHKJXIZ-CYBMUJFWSA-N 292.383 0.783 0 50 CCAA COCCN1C[C@@H](Cc2cc(N)ncn2)CC1=O 244795546 RIFHAAIPJFGUAG-VIFPVBQESA-N 250.302 0.096 0 50 CCAA CC(C)[C@@H](CO)NC(=O)C1(n2cnnn2)CCCCC1 252494177 NNCMKZZAYVIFRQ-LLVKDONJSA-N 281.360 0.466 0 50 CCAA CCOCC1(CNC(=O)CN2CCCN(C)CC2)CCC1 534670081 XAFFTKIFATWPJO-UHFFFAOYSA-N 297.443 0.947 0 50 CCAA CCn1ccc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)n1 299783675 WWNHAYBWGSVLDJ-UONOGXRCSA-N 288.355 0.840 0 50 CCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(CCn1ccnc1)CC2 299775971 MEVAJQRPDGENTR-MELADBBJSA-N 265.357 0.887 0 50 CCAA COc1cccc2c(=O)n(CCCc3nn[nH]n3)cnc12 584902698 NGWMKXCPHJPGII-UHFFFAOYSA-N 286.295 0.551 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)CCc1cn[nH]c1 584903511 DLHAVTPQGYZGEO-SNVBAGLBSA-N 292.343 0.458 0 50 CCAA CN1CCC[C@H](CCC(=O)N2CCN(C)C(=O)C2)C1 584888336 DZGCKTBZDXFNHN-GFCCVEGCSA-N 267.373 0.409 0 50 CCAA Cc1nc(N)sc1CC(=O)N[C@H]1CC(=O)N(C(C)C)C1 670444312 ZONZADPEXAXVOI-VIFPVBQESA-N 296.396 0.702 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCc1ccnc(C)c1 670459765 QKUGJNNTWNAGHB-VIFPVBQESA-N 251.286 0.751 0 50 CCAA O=C1NCCC[C@H]1C(=O)N[C@@H](CO)c1cc(F)ccc1F 1351093395 AAEBTUVEGWKIKN-SKDRFNHKSA-N 298.289 0.641 0 50 CCAA Cc1ccnc(NC(=O)c2cnc(N(C)C)cn2)n1 1356046520 UNVXXPNYFCVHSD-UHFFFAOYSA-N 258.285 0.893 0 50 CCAA CCc1ccc2ncn([C@H]3CNC[C@@H]3O)c(=O)c2c1 1565510192 XXHGEIAXPOZGFV-STQMWFEESA-N 259.309 0.464 0 50 CCAA O=C(O)[C@H]1C[C@H](N=c2ccc3ncc[nH]c-3n2)[C@H](O)C1 662896807 PPSGRBYOZMCCOO-UJNFCWOMSA-N 274.280 0.034 0 50 CCAA CN1CC[C@@](O)(CNC(=O)c2[nH]nc(C3CC3)c2Cl)C1 170079670 IYVMJNZABOUBJS-CYBMUJFWSA-N 298.774 0.737 0 50 CCAA CO[C@@](C)(C(=O)NCCOC(N)=O)c1ccccc1F 170613618 IYUKRFZQGSJRSS-CYBMUJFWSA-N 284.287 0.899 0 50 CCAA COC(=O)[C@@H]1CN(CC[S@@](=O)c2ccccc2)CCO1 170621640 YNNMPRRDFJRVRL-RNODOKPDSA-N 297.376 0.668 0 50 CCAA C[C@@H]1CN(C(=O)CN[C@@H]2CCCn3nccc32)C[C@@H](C)O1 640216511 BGWXEFSCIWOEHJ-JHJVBQTASA-N 292.383 0.943 0 50 CCAA Cc1cnc(CN[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)nc1 643961144 QJWVBDFIGIFCHO-MJBXVCDLSA-N 276.384 0.862 0 50 CCAA CCn1nccc1CCN1CC[C@@](O)(Cn2ccnn2)C1 671554229 RERNDLYRDKRVRB-AWEZNQCLSA-N 290.371 0.174 0 50 CCAA COC(=O)[C@H](NC(=O)/C=C\C(=O)O)c1ccccc1 100384081 MLAGUTJTKLLTIJ-QDZRJHCZSA-N 263.249 0.658 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(C(=O)CCc3cccnc3)C[C@H]21 217823336 OFMORKWUFFWOJY-PJXYFTJBSA-N 260.293 0.803 0 50 CCAA CO[C@H]1CN(CC(=O)O)C[C@H]1Cc1cc(C)no1 1529133269 HEQFLIIAUABDJT-KOLCDFICSA-N 254.286 0.557 0 50 CCAA CNC(=O)CC1CCN(C(=O)[C@@H]2CCCN(C)C2)CC1 1857529517 LISNYQHBLJVSGQ-CYBMUJFWSA-N 281.400 0.703 0 50 CCAA Cc1c[nH]nc1CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 225422203 WHWOFJMEDREPSO-LBPRGKRZSA-N 298.412 0.718 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3ccnn3C)C[C@H]2O)on1 1704357093 BVWWBVSNUOAXHZ-BXUZGUMPSA-N 276.340 0.752 0 50 CCAA CCC[C@]1(CO)CCN(c2ncc(OC)cn2)C[C@H]1O 1875248160 AAWHRFWKXIGBFJ-TZMCWYRMSA-N 281.356 0.835 0 50 CCAA O=C1CC[C@@H](C(=O)NCc2ccc(C(=O)O)cc2)CN1 123003941 CLZHLCFHNYBKAJ-LLVKDONJSA-N 276.292 0.527 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CC[C@]2(CNC(=O)CO2)C1 1772812754 PYHRYBKFRMVSGH-ZDUSSCGKSA-N 297.742 0.410 0 50 CCAA CN1C[C@H](Cn2ccnc2-c2cccn(C)c2=O)CC1=O 1857695249 AWBJPVCXHUTAMJ-LLVKDONJSA-N 286.335 0.727 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@H]1CC(=O)N(Cc2ccco2)C1 1875259390 GAOTXWUBCXYQPK-CMPLNLGQSA-N 294.307 0.465 0 50 CCAA CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@@](O)(CO)C1 1875272835 DCZQDRARJRBUKR-WFASDCNBSA-N 297.326 0.939 0 50 CCAA Cc1nc2nccc(N3CCNC(=O)C[C@H]3C)n2n1 1875275421 QQLZUUORNRQPSI-MRVPVSSYSA-N 260.301 0.148 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCOCCO3)n[nH]c21 1875396429 HDWFMBOEGZDLPI-BDAKNGLRSA-N 281.312 0.836 0 50 CCAA Cc1nn[nH]c1NC(=O)[C@]1(c2cnn(C)c2)CCCO1 1875392158 QLRMDUGTBBWGHV-GFCCVEGCSA-N 276.300 0.491 0 50 CCAA CN(CCO)Cc1cn([C@H]2Cc3ccccc3[C@H]2O)nn1 881010292 FBIHBRVRYIHMGX-LSDHHAIUSA-N 288.351 0.533 0 50 CCAA O=C(NCc1ccc2c(c1)OCCCO2)[C@H]1C=CCN1 534664712 WROVNOZXTDQMRL-GFCCVEGCSA-N 274.320 0.992 0 50 CCAA O=C1C[C@H](CC(=O)Nc2cnn(C3CC3)c2)C(=O)N1 2325786389 HPEOFLSUWFSCCQ-ZETCQYMHSA-N 262.269 0.209 0 50 CCAA CN(C(=O)N[C@H]1C(=O)NCC12CCOCC2)C1CCCC1 885605964 YRUQAGHVPOVNRC-LBPRGKRZSA-N 295.383 0.866 0 50 CCAA COC(=O)C[C@H]1C(=O)NCCN1C(=O)OC(C)(C)C 556176 IEIGHVVRJBQGSY-QMMMGPOBSA-N 272.301 0.285 0 50 CCAA CN1C(=C2C(=O)NC(=O)NC2=O)Sc2ccccc21 3076566 LLDMKNDIOCZRRD-UHFFFAOYSA-N 275.289 0.806 0 50 CCAA O=S1(=O)CC[C@H](NC(=S)Nc2ccc(O)cc2)C1 4754779 ITZADNPNBKBFAH-VIFPVBQESA-N 286.378 0.866 0 50 CCAA CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]2C)cc1 1191583752 ABUFQPDKWBMKLC-VIFPVBQESA-N 268.338 0.829 0 50 CCAA C[C@H]1CN(C(=O)c2cccnc2)[C@H](C)CN1CCO 416301694 VPCYFLDEUDYLTF-NWDGAFQWSA-N 263.341 0.609 0 50 CCAA O=C(CCc1ccncc1)N[C@@H]1CCCCNC1=O 54002847 XSTBOCXNJSFATF-GFCCVEGCSA-N 261.325 0.799 0 50 CCAA Cc1nnnn1-c1cccc(NC(=O)[C@@H]2CCOC2)c1 69353659 VDYCIYOKGVLCKS-SNVBAGLBSA-N 273.296 0.946 0 50 CCAA CCC(CC)(CNC(=O)c1ccc(=O)[nH]n1)C(=O)O 137633250 PXXHACZFSGRJOU-UHFFFAOYSA-N 267.285 0.391 0 50 CCAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(=O)[nH]c1 67872652 UMTAMZMZVWUHMJ-GFCCVEGCSA-N 291.351 0.848 0 50 CCAA CN(C)CC(=O)NC1CCN(Cc2ccncc2)CC1 171384561 MSLLUHBJCQMQOT-UHFFFAOYSA-N 276.384 0.724 0 50 CCAA Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2 1718 FNQQBFNIYODEMB-UHFFFAOYSA-N 275.351 0.362 0 50 CCAA biogenic,world COC[C@H]1[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H]2CCO[C@@H]21 219916801 GGIZLQNBYOFUTK-IMIFBBOLSA-N 293.367 0.817 0 50 CCAA Cc1ccnn1CCC(=O)NCCSc1cnn[nH]1 218956022 WFUNFYDTSMDGSX-UHFFFAOYSA-N 280.357 0.608 0 50 CCAA C[C@@H]1C(=O)Nc2cc(C(=O)NCC(=O)O)ccc2N1C 262509733 AVBQZVUKUZNQBE-SSDOTTSWSA-N 277.280 0.278 0 50 CCAA Cn1ccnc1C1CCN(C(=O)[C@H]2CCCN2)CC1 216075055 LOJGUKATLGNDLY-GFCCVEGCSA-N 262.357 0.878 0 50 CCAA Cc1cccc(N2CCO[C@@H](CN(C)CC(N)=O)C2)n1 282178061 FUHYJPOEBRMWKG-LBPRGKRZSA-N 278.356 0.012 0 50 CCAA NC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccccc2)C1 71439434 NVUPCWCNINCSAI-GFCCVEGCSA-N 297.380 0.218 0 50 CCAA CN(CCCCN1CCOCC1)C(=O)c1ccc(N)nc1 214998025 FFONFWLNBCFTPE-UHFFFAOYSA-N 292.383 0.848 0 50 CCAA CC(C)(C)n1nnnc1CN1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 333031059 BVDWCFWXCIEWTK-NNYUYHANSA-N 275.356 0.813 0 50 CCAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(Cc2cscn2)C1 216381926 BKQZROSDQYODMK-ZJUUUORDSA-N 255.343 0.732 0 50 CCAA CNCC(=O)N(C)C[C@H]1COc2ccccc2O1 40420130 HFONDWNGKZAAEK-JTQLQIEISA-N 250.298 0.504 0 50 CCAA CC(C)[C@H](NC(=O)N[C@H]1CCOC1(C)C)C(N)=O 458945200 CYNWZGGTCSTJTH-IUCAKERBSA-N 257.334 0.363 0 50 CCAA CS(=O)(=O)NCc1ccccc1CN1CCOCC1 48442054 AIXSRJCSKTYHIZ-UHFFFAOYSA-N 284.381 0.568 0 50 CCAA O=S(=O)(c1ccco1)N1CCOCC(F)(F)C1 288728913 ZQPVYSXEGRLOMS-UHFFFAOYSA-N 267.253 0.936 0 50 CCAA Cc1cc(C)n(CC(=O)NCCC[C@H]2CCOC2)c(=O)n1 223358625 HMDFYPOSBOYHAC-ZDUSSCGKSA-N 293.367 0.793 0 50 CCAA Nc1nc(NCCN2CCOCC2)cc(C2CC(O)C2)n1 223944849 PJSWGANLKZITND-UHFFFAOYSA-N 293.371 0.041 0 50 CCAA COCCN(C)C[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]1CO 91746534 ZOUDJOUODWVUHG-ZIAGYGMSSA-N 296.367 0.538 0 50 CCAA NC(=O)CNc1ncnc2c1Cc1ccccc1OC2 95508018 HXNRGAAAODPBRR-UHFFFAOYSA-N 270.292 0.857 0 50 CCAA COc1ccc(C(=O)N2CCC2)cc1OCCN 426504018 PEALYTLNGYKPQO-UHFFFAOYSA-N 250.298 0.879 0 50 CCAA Cn1ccnc1[C@H](NC(=O)Cn1ccc(=O)cc1)C1CC1 244674004 HZQAMLPQCBDZCO-CQSZACIVSA-N 286.335 0.849 0 50 CCAA COc1ccc(C(=O)N[C@@H](C)c2ncnn2C)cn1 244787663 QBDMQJAFHWRULA-QMMMGPOBSA-N 261.285 0.710 0 50 CCAA CCN(CC)CC1(NC(=O)c2[nH]nnc2C)CC1 534576715 JTCGLSJXTJTPRO-UHFFFAOYSA-N 251.334 0.717 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)NCCc1nc(N)n[nH]1 534658930 IXGRKIIBVOMXFW-UHFFFAOYSA-N 291.359 0.029 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)Cc1ccc(C)cc1 534644267 OGNYGVHFKRXWLH-KBPBESRZSA-N 298.408 0.743 0 50 CCAA CC1(C(=O)N2CCC[C@H](CN3CCOCC3)C2)COC1 364688240 XLUQIJJGSLJDEH-CYBMUJFWSA-N 282.384 0.594 0 50 CCAA CC(C)Cc1noc(CNC(=O)CCC(=O)O)n1 299763086 OTLTXKMTNKOIKA-UHFFFAOYSA-N 255.274 0.749 0 50 CCAA O=C1CN(CCCNC(=O)c2ccc(Cl)cn2)CCN1 299758551 KFRZBGMZWAABGW-UHFFFAOYSA-N 296.758 0.287 0 50 CCAA CCOC[C@H](O)CNC(=O)CN1CCCCCC1 823315650 XZWYSGLNKCLRIU-GFCCVEGCSA-N 258.362 0.376 0 50 CCAA CCc1nccn1C[C@H](C)NCCc1ncnn1C 823557596 WLUAZTMSPKENHH-NSHDSACASA-N 262.361 0.795 0 50 CCAA Cn1cccc1C(=O)C(=O)NCCCc1csc(N)n1 827597791 NNHPMMDPPRBKQQ-UHFFFAOYSA-N 292.364 0.996 0 50 CCAA CCN1C[C@H](CN(C)C(=O)c2cncc(O)c2)CC1=O 584889574 BIWAOLHNRRFXIH-JTQLQIEISA-N 277.324 0.728 0 50 CCAA CN(CCN1CCOCC1)C(=O)c1cccc2ccnn12 584890095 FNPSPHGFGSLONN-UHFFFAOYSA-N 288.351 0.739 0 50 CCAA CCOCc1nnc(N2C[C@@H](C(=O)O)CC2=O)s1 585122766 ADAYKSKJLNLSDC-LURJTMIESA-N 271.298 0.512 0 50 CCAA CN1CCN(S(=O)(=O)CC2CCCC2)C[C@@H]1CCO 670472363 UVKSXUITDDUXGL-ZDUSSCGKSA-N 290.429 0.505 0 50 CCAA CN1CC[C@@H](NC(=O)c2ccc(CN3CCCC3)o2)C1=O 670465583 KIQOVIHJLLXNPV-GFCCVEGCSA-N 291.351 0.836 0 50 CCAA COC[C@@H](O)CN(C)C(=O)c1cccc(C(=O)O)c1 42527516 VOXYOOBZCWCGSW-NSHDSACASA-N 267.281 0.464 0 50 CCAA O=C(NC[C@H]1CCCN(C(=O)C2(CO)CC2)C1)C1CCC1 952983241 VOPCPMOOQMGCAQ-GFCCVEGCSA-N 294.395 0.914 0 50 CCAA CN1[C@H]2CC[C@H]1CC(O)([C@@H](N)c1cncn1C)C2 958528742 UAYIMCZDBXSWOK-NHCYSSNCSA-N 250.346 0.408 0 50 CCAA O=C(N[C@H]1CNC[C@@H]1O)c1ccc(-c2cc[nH]n2)cc1 1565516043 GVHFHNBDCIYSFN-STQMWFEESA-N 272.308 0.139 0 50 CCAA COc1ccc(OC)c(NC(=O)N[C@H]2CNC[C@@H]2O)c1 1565529007 TXMRNLAUXNVCMY-QWRGUYRKSA-N 281.312 0.158 0 50 CCAA C[C@@H]1C[C@H](NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)C(=O)O1 408521024 FVGBAVCHISJKAZ-KXUCPTDWSA-N 298.339 0.816 0 50 CCAA CCO[C@H]1C[C@](CO)(NC(=O)c2cc[nH]n2)C1(C)C 188873934 IXJCQLQJMIUGLT-GXFFZTMASA-N 267.329 0.706 0 50 CCAA Cn1c(CSC[C@H](O)C(F)(F)F)cc(=O)n(C)c1=O 191098417 VDMOIKFTYYSZJQ-ZETCQYMHSA-N 298.286 0.240 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cc[nH]c1 644227890 VTGGLZPJUNUUEK-XQQFMLRXSA-N 263.341 0.732 0 50 CCAA CCN(C[C@@H]1CCOC1)C(=O)c1c[nH]nc1[C@@H]1CCNC1 662424255 SDRSLYNATRQTPU-NWDGAFQWSA-N 292.383 0.985 0 50 CCAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)CN1CCCNC1=O 1615555284 PNSSPJNFTLPCGS-TZMCWYRMSA-N 288.351 0.143 0 50 CCAA CS(=O)(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 614737 HLYCQUYSCHNQKX-UHFFFAOYSA-N 284.337 0.531 0 50 CCAA CNC(=O)C[C@H]1CCN(c2cc(N(C)C)nc(N)n2)C1 1704297420 RCWNDNPPGUPJEY-SECBINFHSA-N 278.360 0.087 0 50 CCAA O=C(COCC(F)(F)F)N1CCOC[C@H]1c1ncon1 330559726 HKTAWDNSBRZXAO-ZETCQYMHSA-N 295.217 0.548 0 50 CCAA Cc1cccc2c1sc(=O)n2CC(=O)NCC(=O)O 647639303 ZKFNKDPAKDFBEX-UHFFFAOYSA-N 280.305 0.572 0 50 CCAA CC(C)CN1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1=O 335892557 JMCZMZFHGPVOSE-NSHDSACASA-N 278.356 0.749 0 50 CCAA CCC[C@@]1(C)C(=O)NCCN1C[C@@H](O)C(F)(F)F 248994123 JLOIRVFESMEYIC-SCZZXKLOSA-N 268.279 0.900 0 50 CCAA CCN(CC)C(=O)CSc1nc(C)c(CCO)c(=O)[nH]1 11905729 LBYFXQYTUFXNII-UHFFFAOYSA-N 299.396 0.574 0 50 CCAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N1CCCO1 11873171 IAWLGHSIGVSDNG-LBPRGKRZSA-N 283.372 0.387 0 50 CCAA CO[C@@H]1CN(c2ncc(C)c(C)n2)C[C@H]1c1cnn[nH]1 621337102 LYZDTBQWGIROQI-CMPLNLGQSA-N 274.328 0.830 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccncc1 643945341 CJQCRHWHPKFELB-CYBMUJFWSA-N 263.297 0.188 0 50 CCAA Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@H]1CC(=O)O 129381316 RJJCPFBBSVQIQT-LLVKDONJSA-N 295.339 0.282 0 50 CCAA CN1CCN(c2ncc(Br)cn2)CCC1=O 585098979 ZMMUBYAZGVYPEG-UHFFFAOYSA-N 285.145 0.908 0 50 CCAA COCc1cc(NC(=O)NC2CCN(C)CC2)ncn1 162492867 JUXWBXJAAIWHBL-UHFFFAOYSA-N 279.344 0.839 0 50 CCAA CCc1ncc(NC(=O)[C@@H]2COCCN2C(C)=O)cn1 163555363 HSLCGFNSLQHAJE-NSHDSACASA-N 278.312 0.225 0 50 CCAA C[C@@]12CNC[C@]1(C)CN(Cc1n[nH]c3c1COCC3)C2 903776836 WQMVNQMEJGTJCY-GASCZTMLSA-N 276.384 0.914 0 50 CCAA Cc1nc(N2CCN(C[C@@](C)(O)C(F)F)CC2)n[nH]1 931631031 DYQHEEYIBMUWIC-LLVKDONJSA-N 275.303 0.251 0 50 CCAA CCn1cc(CC(=O)N2CCC[C@@H]2Cn2cccn2)nn1 932113566 CEMCHVOIBRDXSC-CYBMUJFWSA-N 288.355 0.728 0 50 CCAA CS(=O)(=O)CCN1Cc2ncccc2N2CCC[C@H]2C1 934488093 AMCCYGUJTMGEKA-LBPRGKRZSA-N 295.408 0.911 0 50 CCAA O=C(NC[C@@H](O)c1ccc(F)cc1)[C@@]1(O)CCCNC1 852811791 KSRDGZDRVYZBAP-TZMCWYRMSA-N 282.315 0.090 0 50 CCAA OC[C@@H]1CN(Cc2c[nH]nc2C(F)(F)F)CC[C@@H]1O 1141011763 NUYRXKKSSWJXRR-IUCAKERBSA-N 279.262 0.604 0 50 CCAA Cc1ccc(CN(C)C(=O)[C@H]2CCOC(=O)N2)nc1 861264511 GZAQPEQYJAKGNS-LLVKDONJSA-N 263.297 0.847 0 50 CCAA Cc1ccoc1CNC(=O)[C@@H]1CC(=O)N(C2CN(C)C2)C1 952887789 JFEIUPNRVFFRON-LLVKDONJSA-N 291.351 0.367 0 50 CCAA O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875291621 GJCYRHYFICGLCQ-WIQDUDBVSA-N 263.293 0.389 0 50 CCAA CC(=O)N1CC[C@@](O)(CN=c2[nH]c3cc(C)ccc3o2)C1 1875307392 DQQQGUJERIWEIU-OAHLLOKOSA-N 289.335 0.953 0 50 CCAA CC[C@@H]1CCN(C(=O)C(=O)N2CCCNCCC2)C1 1875326557 LMMBVNMDADRIME-GFCCVEGCSA-N 267.373 0.457 0 50 CCAA O=C(COCc1ccccn1)N[C@]12CCC[C@H]1NCC2 1774598149 QOYVWHZLNSTISZ-HIFRSBDPSA-N 275.352 0.999 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)C1=C3CCN=C3NC=C1)C2 1775962112 SUOCQAACMARSIS-XPTSAGLGSA-N 258.325 0.152 0 50 CCAA CN1CCN(CCn2cnc3ccsc3c2=O)CC1 32537225 PWDDSIMZUQAXHG-UHFFFAOYSA-N 278.381 0.705 0 50 CCAA O=C(C1CCC(F)(F)CC1)N1C[C@H](O)C[C@H]1CO 334189226 GPKDGUYPANZNOR-VHSXEESVSA-N 263.284 0.766 0 50 CCAA C[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)C[C@@H]1CCCCO1 373874005 YDFOELQOHYOJTD-VWYCJHECSA-N 291.369 0.680 0 50 CCAA COc1ccc(CNC(=O)[C@@H]2CC(=O)N=C(N)S2)cc1 216138 GMOKAGTVXKQISY-JTQLQIEISA-N 293.348 0.658 0 50 CCAA CN(C)C(=O)c1ccc(Nc2[nH]cnc2C(N)=O)nc1 2356168349 ZSPFLCQWIOMZHK-UHFFFAOYSA-N 274.284 0.349 0 50 CCAA O=C(N=c1cc(C2CCC2)[nH][nH]1)c1c[nH]c(=O)cn1 2356169416 BDAKUGQDRKBYOX-UHFFFAOYSA-N 259.269 0.435 0 50 CCAA CN(C)Cc1ccc(S(=O)(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 420416803 CUKVBCLMNYRIBH-WDNDVIMCSA-N 295.408 0.244 0 50 CCAA C[C@H](NC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C)C(=O)N(C)C 347056117 ZGQNDKODZYAMGG-ORFOVLKQSA-N 289.401 0.014 0 50 CCAA O=C1NCCN(C(=O)CCC2CCCC2)[C@@H]1CCO 67673918 VNTUYQXYHOBCPK-GFCCVEGCSA-N 268.357 0.666 0 50 CCAA C[C@H](O)C(C)(C)NC(=O)[C@@H]1CCCCS1(=O)=O 145270881 OKMCJNIGODOHNW-IUCAKERBSA-N 263.359 0.229 0 50 CCAA OC[C@@H](O)c1cc2n(n1)CCN(C1CCCC1)C2 219885511 ZLRZIETUUQUUDE-CYBMUJFWSA-N 251.330 0.667 0 50 CCAA C[C@@H](CC(=O)O)CC(=O)N1CCC[C@@H]1CS(C)(=O)=O 659192473 WFXJPUPYPJNYOA-NXEZZACHSA-N 291.369 0.523 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2ccc(OC)o2)C[C@H]1O 72477028 XDPFSSODOQRQIN-ZWNOBZJWSA-N 269.297 0.636 0 50 CCAA O=C(N1CCCC1)[C@@]1(O)CCCN(CC2=CCCOC2)C1 329061068 ZFBIDOZYWUGYJW-MRXNPFEDSA-N 294.395 0.782 0 50 CCAA O=C(C[C@@H]1COCCN1)Nc1cncc(C(=O)O)c1 72122365 XIUXDBBBYAPRLY-SNVBAGLBSA-N 265.269 0.097 0 50 CCAA CC1(C)CN(C(=O)Cn2ccccc2=O)CC[C@@H]1N 261752685 DXAIAJJMHVGXKM-NSHDSACASA-N 263.341 0.434 0 50 CCAA CCc1noc([C@@]2(O)CCN(C(=O)C3=COCCC3)C2)n1 373081453 UHTUSZAQTVSTRR-CQSZACIVSA-N 293.323 0.746 0 50 CCAA O=C(NC[C@@H]1CNC[C@H]1O)[C@@H]1CCc2ccccc21 262360434 VCHHNJLTARDVEC-IACUBPJLSA-N 260.337 0.413 0 50 CCAA CCCc1cc(C(=O)NCCCN2CCOCC2)n(C)n1 72170521 CJDIDEJMGALTRD-UHFFFAOYSA-N 294.399 0.825 0 50 CCAA O=C1CN(C(=O)[C@@H]2CCn3ccnc3C2)CN1CC1CC1 336427820 WPIOSGABSMJZES-GFCCVEGCSA-N 288.351 0.484 0 50 CCAA CC(C)N1C[C@@H](CNC(=O)c2ccc(O)cn2)CC1=O 221335497 UCCMENWPQXRXBW-SNVBAGLBSA-N 277.324 0.774 0 50 CCAA CC(=O)NCCNCc1cc(=O)c2cc(F)ccc2[nH]1 95353842 NBSCSEGWFISMQS-UHFFFAOYSA-N 277.299 0.893 0 50 CCAA CCc1c(O)nc2nc(N3CCOCC3)nn2c1C 95117617 PINRUQYLCHQUSB-UHFFFAOYSA-N 263.301 0.537 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1C1CC1 91288864 UQBPJNDFIVXWGT-NWDGAFQWSA-N 294.351 0.568 0 50 CCAA COc1ccccc1CCC(=O)N1CC[C@](C)(O)[C@@H](O)C1 96136229 FNCOOBPIPNZCJW-HOCLYGCPSA-N 293.363 0.972 0 50 CCAA C[C@@H](NS(C)(=O)=O)c1nc(-c2cccnn2)no1 95512420 JPSWFTOUPGPGNV-ZCFIWIBFSA-N 269.286 0.137 0 50 CCAA COc1ccncc1CNC(=O)[C@@H]1C[C@H](C)CC(=O)N1 294752590 ZDROPJHOWRIHMG-ONGXEEELSA-N 277.324 0.621 0 50 CCAA CN(C)[C@H]1CCN(CC(=O)NCCCc2ccccn2)C1 244633329 GBARBWKGBHQLOZ-HNNXBMFYSA-N 290.411 0.766 0 50 CCAA CCN(CC)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 249974584 PSOBHKDMEWJCBK-YRRQLQLVSA-N 276.336 0.662 0 50 CCAA Cc1ccncc1C(=O)N1CCN(CC(=O)O)C(=O)[C@@H]1C 534658107 WFOLQAHXFUJBLW-JTQLQIEISA-N 291.307 0.148 0 50 CCAA Cc1ccn2nc(C(=O)NC[C@@H]3CN(C)CCO3)cc2c1 534663369 SZUCREQXHIUBND-CYBMUJFWSA-N 288.351 0.703 0 50 CCAA CC(C)(C)OC(=O)NOCCOCCOCC(=O)O 642881825 NACXAXGVXHCHTN-UHFFFAOYSA-N 279.289 0.561 0 50 CCAA Cc1ncc2c(c1CNS(C)(=O)=O)CCNC2 299790792 CBTOBGDNOIBVQK-UHFFFAOYSA-N 255.343 0.085 0 50 CCAA NC(=O)C1(NC(=O)c2[nH]cnc2C(=O)O)CCCCCC1 299794882 LCTIMTRNJWJOKS-UHFFFAOYSA-N 294.311 0.416 0 50 CCAA O=C(CCn1cnnn1)NC[C@H]1COc2ccccc2O1 299781033 KVZLDIRBKKXLPG-JTQLQIEISA-N 289.295 0.019 0 50 CCAA Cn1ncc2c(=O)n(CCC[C@@H]3CCOC3)cnc21 647115686 VFOSWHXNXPIIJF-SNVBAGLBSA-N 262.313 0.947 0 50 CCAA c1cncc(-n2ncnc2CCCN2CCOCC2)c1 827603717 AUXSGTWOQHGSCM-UHFFFAOYSA-N 273.340 0.927 0 50 CCAA CC(C)c1cnc(NC[C@H]2CN(C)C(=O)CO2)nc1 822273338 PZSWTORRGPZIQA-NSHDSACASA-N 264.329 0.869 0 50 CCAA CC[C@@H](O)c1nc(CC(N)=O)nn1-c1ccc(OC)cc1 822663259 CBVUQEMJFZFNKE-LLVKDONJSA-N 290.323 0.747 0 50 CCAA CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1052071 ZFTXDNBTGFCUDN-UHFFFAOYSA-N 268.338 0.539 0 50 CCAA CCCCN1CCN(C(=O)Cn2ccccc2=O)CC1=O 584886483 MKDBOLFEEPZMBJ-UHFFFAOYSA-N 291.351 0.319 0 50 CCAA O=C([C@@H]1CCCO1)N1CCC(NCCc2ncc[nH]2)CC1 584893255 LBPXADRUTKXAAO-ZDUSSCGKSA-N 292.383 0.712 0 50 CCAA C[C@H](NC(=O)CNS(C)(=O)=O)C1=CCCCC1 670469989 VUGIBVLLODXWOT-VIFPVBQESA-N 260.359 0.541 0 50 CCAA Cc1c[nH]cc(C(=O)N2CCCO[C@H](C)C2)c1=O 408169637 SBAOBAAXGGASGL-SNVBAGLBSA-N 250.298 0.934 0 50 CCAA CCc1nc(CN2CC[S@](=O)CC[C@H]2C)no1 408396661 UNGZUKDRXRDORW-VVVCHXIZSA-N 257.359 0.975 0 50 CCAA C[C@H]1CC[C@H](C(N)=O)CN1c1cc(=O)n2ccccc2n1 170604138 DRMRZFVMXHDWSU-QWRGUYRKSA-N 286.335 0.785 0 50 CCAA O[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@H]1n1ccnn1 641680468 QZUVEXLKFRKFNP-VXGBXAGGSA-N 272.312 0.368 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cnn(C(C)C)c1 643939934 XDGGMWXFPYVDEK-AWEZNQCLSA-N 294.355 0.571 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 584954084 FOFUUJLACWSDOD-AYRXBEOTSA-N 299.135 0.154 0 50 CCAA CCOC(=O)c1cnc(NCc2nnc(O)n2C)nc1C 585092090 DUGBRICKZYASPB-UHFFFAOYSA-N 292.299 0.408 0 50 CCAA COC[C@H](NS(=O)(=O)c1cc(C)c(C)s1)C(=O)O 565339419 LZTNSUJZXUGCJF-QMMMGPOBSA-N 293.366 0.743 0 50 CCAA CO[C@H]1C[C@H](NS(=O)(=O)c2cn[nH]c2)C12CCC2 713123991 SLFIZAJSEHKZTN-UWVGGRQHSA-N 271.342 0.646 0 50 CCAA NC(=O)CONC(=O)c1ncsc1-c1ccccc1 783695990 QNYYWXPIBBAXBF-UHFFFAOYSA-N 277.305 0.957 0 50 CCAA CCc1c(C(=O)N2C[C@H]3CCC[C@@]3(N)C2)nnn1CC 1615622330 GNVXGNIQUSQQTG-QMTHXVAHSA-N 277.372 0.814 0 50 CCAA CC(C)C[C@](C)(CN)NC(=O)C1(F)CCNCC1 1616039895 YECAYVFQSJUDIQ-GFCCVEGCSA-N 259.369 0.958 0 50 CCAA CC[C@@]1(C)COCCN1S(=O)(=O)c1cn(C)cn1 408084894 UTIMKFWVSQGBKK-NSHDSACASA-N 273.358 0.610 0 50 CCAA COc1cccc(CC(=O)N[C@H]2CCNC[C@@H]2O)c1OC 222069374 KBPRHFJUSCKSQO-RYUDHWBXSA-N 294.351 0.085 0 50 CCAA CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)C(=O)[C@@H]2O1 4543505 IVWWFWFVSWOTLP-RWYTXXIDSA-N 258.270 0.585 0 50 CCAA in-vitro CC1=N[C@](C)(C(=O)N(C)c2ccccc2)[C@H]2C(=O)NC(=O)[C@@H]12 1848444148 QPRRBSBLIQTGET-OZVIIMIRSA-N 299.330 0.771 0 50 CCAA O=C(c1ncc[nH]c1=O)N1CCC[C@H](C2(O)CC2)C1 1772815109 IYCXTWPNIFTBHT-VIFPVBQESA-N 263.297 0.147 0 50 CCAA CC=CCn1c(=O)c2c(nc3n(C)c(C)cn23)n(C)c1=O 1857533426 IMADDXJVEYMXFQ-UHFFFAOYSA-N 287.323 0.571 0 50 CCAA C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)O 237662966 VDJLMOVXEOAEND-JTQLQIEISA-N 290.319 0.945 0 50 CCAA O=C1CN(C(=O)Cc2cnc3ccccc3c2)CCN1 129013890 CDIOBWQKSLEQOK-UHFFFAOYSA-N 269.304 0.736 0 50 CCAA O=C(O)C[C@@H](NC(=O)[C@H]1COCCO1)c1ccc(F)cc1 262310387 NQEQKXWPOVUHOG-VXGBXAGGSA-N 297.282 0.873 0 50 CCAA O=S(=O)(CCc1ccccc1)N1CCOCC1 434083 SICHTYOVMMDNGF-UHFFFAOYSA-N 255.339 0.891 0 50 CCAA CN(CCO)CC(=O)NCCc1cn(C)c2ccccc12 952876957 JAKOSVZHRFOFIE-UHFFFAOYSA-N 289.379 0.761 0 50 CCAA CCOc1ccnc(N2CC[C@H](S(=O)(=O)NC)C2)n1 1875275815 UICMUVQEHIPZCR-VIFPVBQESA-N 286.357 0.003 0 50 CCAA CN(CCc1ccccc1)C(=O)c1nc(=O)n(C)[nH]1 1875335593 XEQVOXCKHYWYSN-UHFFFAOYSA-N 260.297 0.423 0 50 CCAA O=C(C1CC1)N1CCC(O)(C2(C(=O)O)CC2)CC1 1875320605 HFDJTNKCFJQHNR-UHFFFAOYSA-N 253.298 0.615 0 50 CCAA O=C(NCC[C@H]1CCCCO1)C1=NO[C@]2(CCCNC2)C1 888096389 FNGCPPXQSBSHHF-IUODEOHRSA-N 295.383 0.960 0 50 CCAA C[C@@H]1CN(c2nnc(-c3ccon3)s2)CC(=O)N1 894074739 XXXVSOCIAPCMTR-ZCFIWIBFSA-N 265.298 0.518 0 50 CCAA COCC(C)(C)C(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1 1774207963 GYDMXLWUJAZIJQ-JTQLQIEISA-N 281.360 0.653 0 50 CCAA CC(C)(O)[C@H]1CCCN1C(=O)CCN1C(=O)CCC1=O 128326494 UMWFZCVPBNDNQP-SNVBAGLBSA-N 282.340 0.287 0 50 CCAA CN1CCC[C@@H](CNc2nc(N)nc3[nH]ncc23)C1 32592885 PHFPAAUYKYJQFP-QMMMGPOBSA-N 261.333 0.689 0 50 CCAA COCC[C@@H](CO)Nc1cc(N2CCCC2)ncn1 287820267 QFPXDCYWEUGZKR-NSHDSACASA-N 266.345 0.886 0 50 CCAA O=C(C[C@H]1COCCN1)NCc1cnc2c(c1)CCC2 72157436 ZLRWBECTNXTPDV-ZDUSSCGKSA-N 275.352 0.565 0 50 CCAA O=C(Cc1cccc(Cl)c1)N[C@H]1CCNC1=O 616965206 XSCVJBBUADAORW-JTQLQIEISA-N 252.701 0.887 0 50 CCAA CCN1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 19790340 VJYPVBPDHWHTOV-CQSZACIVSA-N 287.363 0.956 0 50 CCAA COCCN1Cc2nnc(-c3cnccn3)n2[C@@H](C)C1=O 2356145035 YBDVAWBLLLVEFE-VIFPVBQESA-N 288.311 0.285 0 50 CCAA COC1(CN(C)C)CCN(c2ncnc3[nH]cnc23)CC1 2356154389 UCZUABAYLIWHNY-UHFFFAOYSA-N 290.371 0.900 0 50 CCAA CNC(=O)c1cnc2sc3c(n2c1=O)CCCC3 10327202 SGSNRILSPUWLKL-UHFFFAOYSA-N 263.322 0.994 0 50 CCAA CC(C)NC(=O)CS(=O)(=O)c1ccc2[nH]ncc2c1 414218064 ACJLLFGELNTHOC-UHFFFAOYSA-N 281.337 0.861 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CNCCN2C1=O 307627365 LJCUCZLZFKIRRY-DTWKUNHWSA-N 255.318 0.084 0 50 CCAA COCCC(=O)N1CCC(Nc2cc(OC)ncn2)CC1 133531031 AOEJTGYIRVEAOS-UHFFFAOYSA-N 294.355 0.925 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cnc(C(C)(C)C)nc1 67432692 RZDZMVHFAVOSCJ-NEPJUHHUSA-N 291.399 0.422 0 50 CCAA CCN(Cc1cccnc1NC)[C@H]1CS(=O)(=O)C[C@@H]1O 63856351 OGFAWMHXVZNNTB-RYUDHWBXSA-N 299.396 0.103 0 50 CCAA COc1cccc2c(O)c(C(=O)Nc3nnn[nH]3)cnc12 218291416 UJOPJXYOLOVQFQ-UHFFFAOYSA-N 286.251 0.714 0 50 CCAA O=C(NC[C@@H]1CCOCO1)c1cccnc1S 151584334 SHSRUAWBFVARBR-QMMMGPOBSA-N 254.311 0.863 0 50 CCAA Cn1cc([C@@H](NC(=O)c2cnnn2C)C(F)(F)F)cn1 282168404 JCQMWFMGJGIQDI-MRVPVSSYSA-N 288.233 0.582 0 50 CCAA CNC(=O)CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1 214860485 PPYOQHJWGWFARE-SNVBAGLBSA-N 271.361 0.722 0 50 CCAA CCc1noc(CC)c1CC(=O)NC[C@H]1CN(C)CCO1 130279064 FYGGAYGPRNWCMR-NSHDSACASA-N 295.383 0.789 0 50 CCAA O=C(NCCC1(O)CCOCC1)[C@@H]1[C@H]2CCCO[C@H]21 367718485 YJBRNOFEHSITBU-IJLUTSLNSA-N 269.341 0.459 0 50 CCAA O=C(O)CC[C@H]1NC(=O)N(Cc2ccco2)C1=O 36597141 QAQCNEQMIWQYAW-MRVPVSSYSA-N 252.226 0.565 0 50 CCAA CN1CCC(N2CC[C@@H](N(C)C(=O)c3cc[nH]n3)C2)CC1 370838490 LOJXQXQUCMWWHW-CYBMUJFWSA-N 291.399 0.650 0 50 CCAA COCc1cc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)no1 284723964 SQDOBJNMDIPXRQ-QWRGUYRKSA-N 297.355 0.612 0 50 CCAA CC(C)S(=O)(=O)CCCn1ccnc1S(C)(=O)=O 158633331 GMMNGCDBAVZMTA-UHFFFAOYSA-N 294.398 0.500 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2[nH]c(C)cc2C)C1 334409632 MDORAMXSUKFXIN-WDEREUQCSA-N 252.314 0.853 0 50 CCAA Cc1cccc(CCN2CCN(C(=O)CO)CC2)n1 521230863 URYJQPDULNCHFH-UHFFFAOYSA-N 263.341 0.069 0 50 CCAA Cn1cc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)cn1 77386054 KNLNXIXNJSUWTE-GFCCVEGCSA-N 279.340 0.878 0 50 CCAA CC(=O)N1CCC[C@](O)(C(=O)NCCC=C(C)C)C1 285473092 KRLQILIZXHHPTK-CQSZACIVSA-N 268.357 0.832 0 50 CCAA Cn1ncnc1CCNc1nnnn1-c1ccccc1 88742623 WBWVUXULNBWSJA-UHFFFAOYSA-N 270.300 0.445 0 50 CCAA CCO[C@@H](C)C(=O)NCCN=c1cc[nH]cc1C 426640521 PQFPTYMTRCZABU-NSHDSACASA-N 251.330 0.765 0 50 CCAA CO[C@H]1C[C@@H](O)C12CCN(c1nc(C(N)=O)cs1)CC2 91519294 GTYQXPWEGMJJRU-ZJUUUORDSA-N 297.380 0.608 0 50 CCAA c1cc(N2CCN(C[C@@H]3CCOC3)CC2)n2cnnc2n1 97529107 CUGQVGHJTRFSMJ-LBPRGKRZSA-N 288.355 0.283 0 50 CCAA Cn1ncc2c(O)c(C(=O)NC3CCOCC3)cnc21 179440530 QUAUYOZUAUIHOM-UHFFFAOYSA-N 276.296 0.583 0 50 CCAA CNC(=O)CN1CCC[C@@](CO)(CCCOC)C1 92077235 OTNFPJJCCYYPEI-CYBMUJFWSA-N 258.362 0.234 0 50 CCAA NC1CCN(c2ncc(Br)nn2)CC1 521400773 BLUFPGSYGREOBK-UHFFFAOYSA-N 258.123 0.562 0 50 CCAA O=C(O)[C@H]1CC2(OCCO2)[C@@H]2CC[C@H]3C[C@@]12C(=O)O3 247376253 IJRZBQUJTVNAGY-FNOROQBZSA-N 268.265 0.546 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@](C)(C(=O)O)C1 299746303 WOCFWBJJTQVKQA-COPLHBTASA-N 285.340 0.894 0 50 CCAA C[C@@H](CCNC(=O)C1(C)COC1)N1CCN(C)CC1 534658954 PFEGQQKMONVKSF-LBPRGKRZSA-N 269.389 0.165 0 50 CCAA Cn1cncc1C(=O)NCCCN1CCC[C@H](CO)C1 299788906 XAKQIDSYQYXVKV-LBPRGKRZSA-N 280.372 0.244 0 50 CCAA Nc1nc(N[C@H]2C[C@@H](C(=O)O)C2)cc([C@@H]2CCOC2)n1 299802566 ZDVXUZVIWKCOML-HLTSFMKQSA-N 278.312 0.838 0 50 CCAA CC(C)CC(=O)N1CCC(NC(=O)[C@@H]2CCN2)CC1 820906082 OREGRGVIHRNSJL-LBPRGKRZSA-N 267.373 0.502 0 50 CCAA c1ccc(-n2[nH]nnc2=N[C@H]2CCc3c[nH]nc3C2)cc1 829070287 CCTBSTOUEBAOGG-NSHDSACASA-N 281.323 0.777 0 50 CCAA COCCN1CC[C@H](CNS(=O)(=O)C(C)C)C1 824412438 RZKWFVWEQPZWAH-LLVKDONJSA-N 264.391 0.283 0 50 CCAA CCCC[C@@H]1NC(=O)[C@H](CCC(=O)OC)NC1=O 822883069 QCZAHIYZULEEOM-IUCAKERBSA-N 256.302 0.113 0 50 CCAA CSCC(=O)N(C)CCCCN1CCOCC1 584897662 BJMVVLBPOKOBNH-UHFFFAOYSA-N 260.403 0.920 0 50 CCAA CC(C)=CCCN1C[C@H](O)[C@@H](N2CCOCC2)C1 670456869 LUGSPXHMQLWYCT-KBPBESRZSA-N 254.374 0.720 0 50 CCAA Cc1nsc(NCc2nnc3ccc(N(C)C)nn23)n1 1516029162 MOWFXHUGDCRUIU-UHFFFAOYSA-N 290.356 0.962 0 50 CCAA C[C@H](Cn1cncn1)C(=O)N1CC(N2CCCCC2)C1 952962833 HKKBXTVUDVZHFO-GFCCVEGCSA-N 277.372 0.611 0 50 CCAA CCCNC(=O)c1ccc(C)c(NC(=O)[C@@H](N)CO)c1 952969079 AWDORYPOLIDXDK-NSHDSACASA-N 279.340 0.393 0 50 CCAA COc1ccc(CC(=O)N[C@H]2CCOC[C@@H]2O)c(OC)c1 1565531153 VOGFAMLALJEUHM-STQMWFEESA-N 295.335 0.512 0 50 CCAA Cc1ccc(C(=O)N2CCO[C@@H](c3ncon3)C2)n1C 408301347 RQOFUDXIDRSBLQ-LLVKDONJSA-N 276.296 0.930 0 50 CCAA Cc1cncc(CN2CCC3(CC2)NC(=O)N(C)C3=O)c1 189978751 GTZAIMGWZJIMAO-UHFFFAOYSA-N 288.351 0.906 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2cccnn2)CC1 190953553 ZKGXPIKPGYUZNM-QWHCGFSZSA-N 290.367 0.940 0 50 CCAA OCCc1cnn(Cc2nnc3n2CCCCC3)c1 581049074 BRRRLWWQXOKTOT-UHFFFAOYSA-N 261.329 0.784 0 50 CCAA CC(C)[C@H](O)C(=O)N(CCC(N)=O)CCc1ccccc1 1506425420 FSVDAWHMYOTQBX-HNNXBMFYSA-N 292.379 0.950 0 50 CCAA CC(C)(C)c1ccc(CNC(=O)Cn2[nH]nnc2=N)cc1 1506407945 MQDSSEBXCBYQML-UHFFFAOYSA-N 288.355 0.700 0 50 CCAA C[C@H](CN1CCCC1)CN(C)C(=O)NCCC(=O)O 1506412774 OQKFIHZOJPYYLO-NSHDSACASA-N 271.361 0.834 0 50 CCAA CCc1c(C)noc1NC(=O)CN1C(=O)CN(C)C1=O 1529101896 QYGUIHQLHGPVHC-UHFFFAOYSA-N 280.284 0.378 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1nccs1 225644727 LOOXMJGTOKUUCL-NGJRWZKOSA-N 266.278 0.736 0 50 CCAA Cc1nnsc1C(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O 408366274 WMFFNQXTRNTTGW-HTRCEHHLSA-N 268.342 0.573 0 50 CCAA COC(C)(C)C(=O)N1C[C@@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1704352051 OSCSPRJZKSBDHN-ZYHUDNBSSA-N 281.356 0.505 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2cnc(C)s2)C[C@@H]1O 222224245 CQKPASOREMPEBQ-JQWIXIFHSA-N 270.354 0.799 0 50 CCAA NC(=O)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 333309365 RKPVWOPGYMZYNG-OCAPTIKFSA-N 256.208 0.868 0 50 CCAA CCCOCCN1CCN(CC[C@@H]2COCCO2)CC1 1775977621 KKIHCRPWYGPFQI-OAHLLOKOSA-N 286.416 0.836 0 50 CCAA CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)N1CCCCO1 12593942 MZOMVDZKPUYFOT-ZDUSSCGKSA-N 295.383 0.697 0 50 CCAA CN1C(=O)C[C@@H](N2CCN(c3ccccc3)CC2)C1=O 18322943 IEONJBTWKMZZJK-CYBMUJFWSA-N 273.336 0.566 0 50 CCAA CCN1CN2C(=O)N[C@H]3[C@@H]2N(C1)C(=O)N3C1CCCCC1 169678613 PDHBYQZYNASDMN-NEPJUHHUSA-N 293.371 0.985 0 50 CCAA CN1CCC[C@H]1CNC(=O)NC[C@H]1CCn2ccnc2C1 637531189 ZAAVOBFOOFDZCP-STQMWFEESA-N 291.399 0.839 0 50 CCAA CC(=O)N1CC[C@@H](C(=O)NCc2ccc(C(=O)O)cc2)C1 236579432 DIWFBHPASBRICT-CYBMUJFWSA-N 290.319 0.869 0 50 CCAA CCN1CC[C@H]2OCCN(Cc3ccnc(N)c3)[C@H]2C1 334050569 ROKYDGOBAOAWHF-UONOGXRCSA-N 276.384 0.959 0 50 CCAA COc1cc(C)cnc1C(=O)N1CCN2C(=O)NC[C@@H]2C1 372832367 UOUHBTGCXTVTGG-SNVBAGLBSA-N 290.323 0.248 0 50 CCAA C[C@@H](N)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 261901518 ZAMCYOQBQDPHPP-OLZOCXBDSA-N 293.411 0.975 0 50 CCAA CN(C)S(=O)(=O)N1CCC2(CC1)C[C@@](C)(O)CCO2 1704296998 BVEKKVOBMNSSIQ-NSHDSACASA-N 292.401 0.189 0 50 CCAA Cn1ncnc1CCCNc1ccc(C(=O)O)cn1 910387350 ZDHNWQCVPCZYET-UHFFFAOYSA-N 261.285 0.953 0 50 CCAA C[C@@H](C(=O)NC[C@@H]1CCC[C@H]1O)c1cnn(C)c1 1120655385 DCCNGOBWQIQMNB-JFGNBEQYSA-N 251.330 0.801 0 50 CCAA COC(=O)c1cccc(C(=O)N2CC3(CN(C)C3)C2)c1 1274943729 YZSULNFGNIJZOW-UHFFFAOYSA-N 274.320 0.861 0 50 CCAA C=CC(=O)N1CC(C(=O)N[C@H]2CCCc3c2cnn3C)C1 1875386940 FXBSNIKLHHOOGY-LBPRGKRZSA-N 288.351 0.558 0 50 CCAA C=CC(=O)Nc1ccc(N2CCC[C@H](C(N)=O)C2)nc1 888102245 QLXOHTPFGFCVPC-JTQLQIEISA-N 274.324 0.908 0 50 CCAA CC[C@H](C)N(CC(=O)O)CC(=O)N1C[C@@H](C)O[C@H](C)C1 252433628 PGZSVQMUGVQFBB-QJPTWQEYSA-N 286.372 0.807 0 50 CCAA NC(=O)c1ccc(C(=O)N2CCC[C@](F)(CO)C2)cc1 335891444 UWBSAAXXRQTHIN-CQSZACIVSA-N 280.299 0.722 0 50 CCAA CN(C(=O)[C@H]1CCCNC1)C1CCS(=O)(=O)CC1 584899741 DZJHBTPVBJOVNL-JTQLQIEISA-N 274.386 0.022 0 50 CCAA OC[C@@H]1CN(Cc2nc(O)c3sccc3n2)CC[C@@H]1O 396825740 BFOCRAWYDWDQDB-WPRPVWTQSA-N 295.364 0.572 0 50 CCAA O=C([C@@H]1CCCNCC1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775984069 YOMYJQBEAYLKTK-NDBYEHHHSA-N 252.358 0.605 0 50 CCAA C[C@@H](O)CNC(=O)c1cc(Br)cc2nn[nH]c12 2325700745 KKNZFJDIAZAMFA-RXMQYKEDSA-N 299.128 0.831 0 50 CCAA O=C(CSC1CC1)N1Cc2n[nH]cc2[C@H]1CO 2325796918 AHYIOSPYVLRMME-SNVBAGLBSA-N 253.327 0.681 0 50 CCAA C[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C[C@@H]1O 1447012705 VXJCIZNLNBIXEZ-MFKMUULPSA-N 274.324 0.661 0 50 CCAA Cn1c(=O)c2c(nc(NCc3ccccc3)n2C)n(C)c1=O 114046 LBVXMQUYMRVXIJ-UHFFFAOYSA-N 299.334 0.583 0 50 CCAA biogenic Cn1c(=O)[nH]c2nnc(-c3ccc(F)cc3)nc2c1=O 4386737 OMUOVFFHOAHCJK-UHFFFAOYSA-N 273.227 0.218 0 50 CCAA O=C1CC[C@H](C(=O)N2CCC[C@H]2[C@H]2CCCO2)N1 342519377 OVYUCKDWOXGXGN-OUAUKWLOSA-N 252.314 0.435 0 50 CCAA COCCn1cncc1CNC(=O)Nc1nncs1 23250343 NPHBMIMWZFGHCX-UHFFFAOYSA-N 282.329 0.703 0 50 CCAA O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)[C@H]1C[C@H]1C(=O)O 249636135 WPIBMGVOGLDIHO-LMLFDSFASA-N 253.298 0.781 0 50 CCAA CCN(CCN1CCN(C)CC1)C(=O)c1ccc(=O)[nH]c1 20512915 AWRWFMZMOASCPO-UHFFFAOYSA-N 292.383 0.084 0 50 CCAA CN1CCC[C@]2(CCN(C(=O)CCn3cncn3)C2)C1=O 67688356 DGMCCWDURDKSLP-CQSZACIVSA-N 291.355 0.139 0 50 CCAA COCC(=O)NCCc1csc(-c2ncccn2)n1 219809955 PHZGQKNFKFOUHN-UHFFFAOYSA-N 278.337 0.905 0 50 CCAA Cc1cc2nc(C(=O)NC(N)=O)c(=O)[nH]c2cc1C 71772730 ZNIMOVKPKJAYBU-UHFFFAOYSA-N 260.253 0.348 0 50 CCAA Cc1n[nH]c(C)c1CCC(=O)N1CCC(O)(C(=O)O)CC1 71754611 VJLVTQRKYHXJMG-UHFFFAOYSA-N 295.339 0.397 0 50 CCAA CN(C)Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2O)o1 218960262 URJFYTPTTILGQR-GHMZBOCLSA-N 268.313 0.221 0 50 CCAA CN(C)C(=O)CN1CCCN(C(=O)C2CC=CC2)CC1 76957985 DSHMYSVGFPULNS-UHFFFAOYSA-N 279.384 0.575 0 50 CCAA C[C@@H](CCO)N(Cc1ccccc1)C(=O)C(=O)O 328593988 GIOIFBVDOUKASY-JTQLQIEISA-N 251.282 0.871 0 50 CCAA O=C([C@@H]1C[C@H](O)CN1)N1CC[C@H](Cc2ccccc2)C1 151707074 HXIZJPPQYKAPBM-ILXRZTDVSA-N 274.364 0.800 0 50 CCAA O=C1CN(c2nc(-c3cccnc3)nc3c2CNC3)CCN1 72153746 NNIBAIPWQGPXER-UHFFFAOYSA-N 296.334 0.078 0 50 CCAA CN(CCn1ccnc1)CC(C)(C)N1CCOCC1 215989555 DIZMTQOBTNGQON-UHFFFAOYSA-N 266.389 0.926 0 50 CCAA COc1cc(NC[C@@H]2CC(=O)N(C3CC3)C2)nc(N)n1 32597719 AQXNYZYJYVEFKS-QMMMGPOBSA-N 277.328 0.490 0 50 CCAA NS(=O)(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc[nH]2)C1 363923650 CCZMTCTVLUGRIG-MVIFTORASA-N 283.353 0.307 0 50 CCAA CCc1onc(C)c1C(=O)N1CCN2CCOC[C@@H]2C1 365046481 LPNQMLNOFOHOFN-NSHDSACASA-N 279.340 0.702 0 50 CCAA C[C@]1(O)CCCN(C(=O)NCCN2CCOCC2)CC1 331970817 JQQWNBQHFXNBIT-AWEZNQCLSA-N 285.388 0.265 0 50 CCAA C[C@@H]1CN(C(=O)[C@H](N)C2CCOCC2)CC(C)(C)O1 261603812 AHHJXCPSXFXMDD-ZYHUDNBSSA-N 270.373 0.766 0 50 CCAA O=C(NCCOc1ccccc1)[C@@H]1NCCc2[nH]cnc21 72473145 JRPVOYJQOLSKPS-CQSZACIVSA-N 286.335 0.792 0 50 CCAA CC1(C)C[C@H](NC(=O)C2=NN(CCO)C(=O)CC2)CCO1 373363062 PQVUEIQGKFSVJK-SNVBAGLBSA-N 297.355 0.031 0 50 CCAA COC[C@@H](NC(=O)Cc1cc(C)no1)c1ccnn1C 223454418 HZXOETQEAUTMBR-LLVKDONJSA-N 278.312 0.763 0 50 CCAA COc1ccnc(N2CCC[C@@](O)(Cn3ccnn3)C2)n1 284424524 FDSHSNMLLFRSBR-ZDUSSCGKSA-N 290.327 0.108 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1C(=O)Cc1ccn[nH]1 284546295 IEUWCUVNDDRGCA-QWRGUYRKSA-N 253.302 0.215 0 50 CCAA O=C(NCc1ccccc1)NC[C@@H]1CCNC[C@H]1O 426361180 FGNJZTNVWUUQQH-QWHCGFSZSA-N 263.341 0.456 0 50 CCAA C[C@H](C(=O)O)C(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1 263561084 RNRHTOSRLDSXBU-VIFPVBQESA-N 292.339 0.656 0 50 CCAA COCCCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 176483834 YLKQREVUDCHEPB-MNOVXSKESA-N 255.362 0.947 0 50 CCAA CC1(c2nc(=NC(=O)CCN3CCCC3=O)s[nH]2)CC1 529704464 LDNYRYMQZMHUSR-UHFFFAOYSA-N 294.380 0.963 0 50 CCAA O=C1CN(C(=O)c2ccc3c(c2)CCCO3)CCCN1 426411577 VZCOJNLCKWHZNL-UHFFFAOYSA-N 274.320 0.974 0 50 CCAA CNC[C@H](C)C(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 237291338 OTRRVZXZVUYNBP-XQLPTFJDSA-N 297.443 0.942 0 50 CCAA O=C(NC[C@@H]1COc2ccccc2C1)c1c[nH]c(=O)cn1 95527429 NHFMXHUMPYWYKF-SNVBAGLBSA-N 285.303 0.751 0 50 CCAA O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@@H]1CC12CC2 426573001 DHUKHDVUFUTVST-QMMMGPOBSA-N 270.296 0.678 0 50 CCAA CCc1nnc(CN(C)C(=O)[C@@H]2CC(=O)N(C3CC3)C2)o1 92065957 KCFHYKBHYKMYER-SECBINFHSA-N 292.339 0.601 0 50 CCAA CN(CCc1cnn(C)c1)C(=O)CN1CCCCC1=O 95531548 JNJQKCUHAOZZLY-UHFFFAOYSA-N 278.356 0.434 0 50 CCAA C[C@@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)C1=CCCCC1 95510089 UHDKYHSPRYACMC-SNVBAGLBSA-N 291.351 0.703 0 50 CCAA O=C(O)COc1ccc(CN2CCO[C@H](CCO)C2)cc1 97815457 WHJRGIJDGFJYSI-CQSZACIVSA-N 295.335 0.733 0 50 CCAA O=C(CCCc1nc(O)c2ccccc2n1)Nc1nnn[nH]1 252494133 NMALJQUOJBILEI-UHFFFAOYSA-N 299.294 0.810 0 50 CCAA COCc1noc(CNC(=O)C2(COC)CCC2)n1 534660431 WBBYKBZDLWKPIN-UHFFFAOYSA-N 269.301 0.649 0 50 CCAA O=C([C@H]1CNCCO1)N1CCC(N2CCSCC2)CC1 534588231 YOFFSFWXOHJMIK-CYBMUJFWSA-N 299.440 0.015 0 50 CCAA O=C(C1CCNCC1)N1CCN(CC2CC2)[C@H](CCO)C1 534652422 SHKKYUVMQYJMLA-OAHLLOKOSA-N 295.427 0.291 0 50 CCAA CN(CC(=O)NCc1nnc(N)s1)Cc1ccncc1 534652319 BMWHZTNLCAKJGB-UHFFFAOYSA-N 292.368 0.264 0 50 CCAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1cc(O)nc(O)n1)CC2 299762735 XIVCBWKAXOAVKA-UHIISALHSA-N 295.339 0.392 0 50 CCAA CC(=O)N[C@@H]1C[C@H](C(=O)N2CCCC(C)(C)C2)C[C@H]1O 1940197944 CVZOZFMQPPPSSY-YNEHKIRRSA-N 282.384 0.911 0 50 CCAA Cc1n[nH]nc1C(=O)N1CCC2(CCC(=O)N(C)C2)CC1 299772725 ARIGEEGBETUVFD-UHFFFAOYSA-N 291.355 0.588 0 50 CCAA CCS(=O)(=O)CCNC(=O)c1c2c(nn1C)CCCC2 299768999 HSLQNTFYJSQXGZ-UHFFFAOYSA-N 299.396 0.463 0 50 CCAA O=c1[nH]ccn1CCN1CCC[C@@H](c2cc(O)ncn2)C1 299783055 FDBQECOYXNRKGZ-LLVKDONJSA-N 289.339 0.552 0 50 CCAA COCCN1C[C@@H](CNC(=O)CN2CCCCC2)CC1=O 824412476 WOYXASBSCUEMMX-CYBMUJFWSA-N 297.399 0.083 0 50 CCAA C[C@H](c1ccncc1)N(C)C(=O)CCCS(N)(=O)=O 906439933 IOLCUOPUDDLABE-SNVBAGLBSA-N 285.369 0.670 0 50 CCAA CCc1nc(CN(C)S(=O)(=O)c2cn(C)cn2)no1 670448084 AAGSWBRMZMQJIG-UHFFFAOYSA-N 285.329 0.186 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)C2CCOCC2)C1 670462322 GFRWVSLCCURCIU-GFCCVEGCSA-N 270.373 0.450 0 50 CCAA CC(=O)N1CCC(N[C@@H]2CCc3c[nH]nc3C2)CC1 670468591 FSHUINVUKPCTER-CYBMUJFWSA-N 262.357 0.868 0 50 CCAA CC(C)[C@H](CNC(=O)C1(CO)CC1)N1CCCC1 670473782 XWEGKTFWGDNQLN-LBPRGKRZSA-N 254.374 0.996 0 50 CCAA C[C@@H](CN1CCN(C)CC1)NCCc1nccs1 670472082 HVGUWUKRGPHALU-LBPRGKRZSA-N 268.430 0.911 0 50 CCAA CCCn1cc(C(=O)NCC(=O)NC(C)C)c(C)n1 1335539868 KKLAHNCBCAUVKK-UHFFFAOYSA-N 266.345 0.856 0 50 CCAA C[C@@H]1CN(CC(=O)NCC2CC2)CCN1c1cnccn1 1413087208 AZVOEHVNNXSCOJ-GFCCVEGCSA-N 289.383 0.513 0 50 CCAA C[C@@H]1CNc2c(C(=O)N(C)c3cnn(C)c3)cnn2C1 1548652615 VOUGYGORQKFQLU-SECBINFHSA-N 274.328 0.955 0 50 CCAA N[C@@H](c1ccnn1C1CCC1)C1(O)CCNCC1 958528704 ZPTFAEBURYXJBV-LBPRGKRZSA-N 250.346 0.722 0 50 CCAA O=C(Cc1nnc(O)c2ccccc12)Nn1ccccc1=O 1558958948 XOHYAYAMUYFZTI-UHFFFAOYSA-N 296.286 0.810 0 50 CCAA CCCN1CC[C@H](Nc2nc(O)c3cnn(C)c3n2)C1 664529165 HUTUPDYCAPGOSA-VIFPVBQESA-N 276.344 0.965 0 50 CCAA CNC(=O)[C@@H]1CN(C(=O)CCc2cccs2)CCO1 170593789 QQSPPQGQDXOTPR-NSHDSACASA-N 282.365 0.654 0 50 CCAA CN=c1[nH]c(N2CCN(C(C)=O)CC2)nc2ccccc12 516243638 SBDVXZRBIYXSDY-UHFFFAOYSA-N 285.351 0.762 0 50 CCAA Cn1nccc1CNC(=O)Cc1ccccc1C(N)=O 190881243 NPEHBEKTADORTQ-UHFFFAOYSA-N 272.308 0.378 0 50 CCAA Cc1csc(S(=O)(=O)N[C@H](C(=O)O)[C@H](C)O)c1 583250632 VKDWAHQIKPROAX-XPUUQOCRSA-N 279.339 0.169 0 50 CCAA CO[C@H]1C[C@@H](N(C)Cc2nc(O)n[nH]2)C12CCC2 650185950 WIQKWJOXFJNSLC-BDAKNGLRSA-N 252.318 0.900 0 50 CCAA O=C(Nc1ccc2cc[nH]c2n1)[C@@H]1CCS(=O)(=O)N1 652425362 OHNJCTRUUUTALN-QMMMGPOBSA-N 280.309 0.193 0 50 CCAA Cc1c(O)cccc1C(=O)N1CCC([C@@H](O)CO)CC1 1772809207 PBVUSCZPZLBWMH-AWEZNQCLSA-N 279.336 0.906 0 50 CCAA COCCN1CC[C@H](CN(C)c2nccnc2N(C)C)C1 1506421683 LLLMKLCPWZKWEZ-CYBMUJFWSA-N 293.415 0.947 0 50 CCAA CCCc1cc(C(=O)N2C[C@H](CO)[C@@H](CO)C2)no1 212029569 OOLLOAKKTYEBDV-NXEZZACHSA-N 268.313 0.300 0 50 CCAA CCCN(C(=O)c1cnn(C)c1)[C@@H]1CC(=O)N(C)C1=O 330428047 JLVUBZNXVYDAEJ-SNVBAGLBSA-N 278.312 0.030 0 50 CCAA Cn1ccc(NC(=O)CN2C[C@H]3C[C@@H](O)C[C@H]3C2)n1 1775981552 AJIOGHRJWOHIIL-JGPRNRPPSA-N 264.329 0.061 0 50 CCAA Cc1cc(C(=O)N2CCCN(C[C@@H](O)CO)CC2)c(C)o1 1772807058 PHYKRPOBMGIQDE-CYBMUJFWSA-N 296.367 0.398 0 50 CCAA CC(=O)S[C@@H]1CS(=O)(=O)C[C@H]1SC(C)=O 5186635 YXOMJTPNTHKCHW-HTQZYQBOSA-N 268.381 0.711 0 50 CCAA CN(Cc1ccccc1)C(=O)CCN1CC[C@H](N)[C@@H](O)C1 710022536 CAOUIPSJURKYMH-GJZGRUSLSA-N 291.395 0.429 0 50 CCAA CN1C(=O)C[C@H](NC(=O)Nc2ccc(F)cn2)C1=O 225524757 HKRVVAKSSUQETB-ZETCQYMHSA-N 266.232 0.100 0 50 CCAA COCCn1cc(CNC(=O)NCc2ccccn2)cn1 225701679 YXQXKIADZIRZKS-UHFFFAOYSA-N 289.339 0.924 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(CC2CC(F)(F)C2)C1 818233938 FTYKIPHILCOPNQ-NSHDSACASA-N 262.300 0.734 0 50 CCAA CC[C@@H](NC)C(=O)NS(=O)(=O)c1cncc(Cl)c1 901031583 GKVKLMINIWYRGO-SECBINFHSA-N 291.760 0.538 0 50 CCAA Cc1cc([C@H]2CCCN2C(=O)c2n[nH]c(O)n2)no1 918320003 HAAYXIPSKHWKCK-MRVPVSSYSA-N 263.257 0.784 0 50 CCAA O=C(CN1CCOC1=O)N1CCC[C@]2(CCOC2)C1 823435338 OJYKZBVDXUUHTQ-ZDUSSCGKSA-N 268.313 0.468 0 50 CCAA Cc1ccc(CN2CCC3(CC2)C[C@H](O)CNC3=O)cn1 932830903 GBUZUFLQXFFTJQ-AWEZNQCLSA-N 289.379 0.853 0 50 CCAA C[C@@H](O)[C@H](O)CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 871125889 FHIRBARNFDQCQO-AMIZOPFISA-N 293.298 0.687 0 50 CCAA COc1cccnc1N1C[C@@H]2COCC[C@]2(C(N)=O)C1 952850765 PYGVUYBFOZDHGS-YGRLFVJLSA-N 277.324 0.418 0 50 CCAA Cc1nccnc1C(=O)NCc1c[nH]nc1[C@H]1CCNC1 952850731 PMHVORMPNZBSMK-JTQLQIEISA-N 286.339 0.515 0 50 CCAA O=C(NCCC(=O)N1CC=CC1)c1ncccc1O 1875271040 WTWYSQDGRRPGEK-UHFFFAOYSA-N 261.281 0.306 0 50 CCAA O[C@@H](CN1CCN(c2ncnc3[nH]ccc23)CC1)C1CC1 1875258651 NESXGULGTLJUNP-ZDUSSCGKSA-N 287.367 0.851 0 50 CCAA CS(=O)(=O)Nc1nc(=N[C@H]2CCc3ccccc32)[nH][nH]1 1875291045 MGXFQJBCVAAIPH-JTQLQIEISA-N 293.352 0.698 0 50 CCAA CN(C)C/C=C/C(=O)NCCCC(=O)N1CCCC1 1875376823 JNWVAYWHWZNMEC-VOTSOKGWSA-N 267.373 0.623 0 50 CCAA CCN(CC)C(=O)Cc1noc([C@H]2CN(C)C[C@@H](C)O2)n1 886082498 HBQHXNLVFKMZGT-GHMZBOCLSA-N 296.371 0.872 0 50 CCAA Cn1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)cn1 299746808 ZYOUGVXADFNMAG-HTQZYQBOSA-N 291.229 0.755 0 50 CCAA COCc1ccccc1CNC(=O)[C@@]1(C)CNC(=O)C1 376333055 DFILWSNFTDXNIB-OAHLLOKOSA-N 276.336 0.975 0 50 CCAA C[C@H](N)c1ccc(NC(=O)c2cn(C)c(=O)n2C)cc1 722010966 WYDGKOCNPFJMFB-VIFPVBQESA-N 274.324 0.996 0 50 CCAA Cc1ccccc1CCNC(=O)[C@@H]1CN(C)CC[C@H]1O 2356162237 CPYRJSGGIMZHCP-HUUCEWRRSA-N 276.380 0.966 0 50 CCAA C[C@@H](CNC(=O)c1ccc2c(c1)OCO2)n1cncn1 4988370 HCSKIYOMGDVMCL-VIFPVBQESA-N 274.280 0.998 0 50 CCAA CCC(=O)c1ccc(OCC(=O)N[C@@H]2CNC[C@H]2O)cc1 55167185 IFYXDGVMESFEHC-TZMCWYRMSA-N 292.335 0.107 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)/C=C/c1ccc(C)o1 134068138 SSFNNPAHCNAJMC-WTIVYXKASA-N 250.298 0.704 0 50 CCAA CS(=O)(=O)[C@H]1CCC[C@H]1NCCCn1cccn1 135727047 QWKWVGCYPFPUQS-NEPJUHHUSA-N 271.386 0.829 0 50 CCAA CCOC(=O)CN1CCc2nc(C)n(C)c(=O)c2CC1 65380849 LYPAEBSDZBRQLI-UHFFFAOYSA-N 279.340 0.052 0 50 CCAA CCOC(=O)CNC(=O)c1ccc(NC(C)=O)cc1 4177071 PYYUARRKZRMQDF-UHFFFAOYSA-N 264.281 0.938 0 50 CCAA Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)nn1C 257644514 AJFLIBXPCUFDQM-VIFPVBQESA-N 267.285 0.044 0 50 CCAA O=S1(=O)CC[C@H](CN2CCCc3n[nH]cc32)C1 333316197 AEENXXCABMXUEM-SECBINFHSA-N 255.343 0.597 0 50 CCAA C[C@H](Cn1ccnc1)NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 333819557 JMDCEYDXFRMMGU-FRRDWIJNSA-N 277.372 0.617 0 50 CCAA O=C(c1ccco1)N1CCC[C@@](O)(Cn2ccnn2)C1 284655711 PEGDPSURBWSJSQ-ZDUSSCGKSA-N 276.296 0.538 0 50 CCAA Cc1c[nH]c(C(=O)NCc2cccc(-c3nnn[nH]3)c2)n1 223360688 ILSPWPBTIWAGLF-UHFFFAOYSA-N 283.295 0.828 0 50 CCAA CC1CCN(S(=O)(=O)N(CCO)C2CCC2)CC1 221069926 WJIQXVUOPHCNJH-UHFFFAOYSA-N 276.402 0.810 0 50 CCAA Nc1nc(=NCCN2CCCCC2)cc([C@@H]2CCOC2)[nH]1 426419807 QBHMTFVKQDPZIL-GFCCVEGCSA-N 291.399 0.882 0 50 CCAA Cc1nc([C@@H]2CSC(C)(C)C(=O)N2)n(CC(=O)O)n1 97757921 BFOUIRYBPFCDFB-ZETCQYMHSA-N 284.341 0.354 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)CCn1ccnc1 426388200 TZWXNBWKHSSRPR-LLVKDONJSA-N 292.343 0.389 0 50 CCAA CCOCC(=O)N(C)Cc1cccc(-c2nnn[nH]2)c1 95281708 RCTYGFYFSNRVDR-UHFFFAOYSA-N 275.312 0.862 0 50 CCAA CN1CCC[C@H]1CCNC(=O)CCc1nncn1C 97696131 HXSDQNWGHYGMCT-NSHDSACASA-N 265.361 0.348 0 50 CCAA CCC[C@@]1(CO)CCCN(C(=O)C2(C(N)=O)CC2)C1 91695550 URTOWGBVIOYQQJ-CYBMUJFWSA-N 268.357 0.653 0 50 CCAA COCCn1cncc1CN(C)CCc1cnn(C)c1 244695615 JPJJKZRKEDNJPO-UHFFFAOYSA-N 277.372 0.938 0 50 CCAA O=C([C@@H]1C[C@@H](F)CN1c1cnccn1)N1CCOCC1 299741852 HHAVSKJILKPHLC-MNOVXSKESA-N 280.303 0.252 0 50 CCAA C[C@@H](CN1CCOCC1)C(=O)NCCc1cscn1 252502628 URXWAZTWGUCDKW-NSHDSACASA-N 283.397 0.770 0 50 CCAA O=C(NCCCOC1CCCC1)[C@H]1CCCNC1=O 534654432 SFQUOQMUTWXGSF-LBPRGKRZSA-N 268.357 0.978 0 50 CCAA O=C(NC1Cc2ccccc2C1)[C@H]1NCCc2nc[nH]c21 534581170 UGIULIBWFOJDNN-HNNXBMFYSA-N 282.347 0.880 0 50 CCAA CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 29520 CZUGGAGWAUSXMD-UHFFFAOYSA-N 258.318 0.907 0 50 CCAA CCc1c(C)nn(CCNC(=O)CNC(C)=O)c1C 299786062 MQWIBDXLMHZLJZ-UHFFFAOYSA-N 266.345 0.315 0 50 CCAA CN1CCC2(CC1)CN(C(=O)c1ccc(O)nc1)CCO2 649136300 FPQSNNIFEHNRSO-UHFFFAOYSA-N 291.351 0.724 0 50 CCAA COCC1(C(=O)N2CCC(O)(CN3CCCC3)CC2)CC1 824347091 NTQHOWXGGSQWAV-UHFFFAOYSA-N 296.411 0.862 0 50 CCAA COCCN(C)CC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 670458549 ASENIYNHOLSBOK-GFCCVEGCSA-N 299.415 0.328 0 50 CCAA Cc1c(NC(=O)[C@]23CNC[C@H]2CCOC3)cnn1C 1341484926 DLNALZLZQYNXLQ-MFKMUULPSA-N 264.329 0.293 0 50 CCAA CCCCN(CCCC)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 408523548 STATWZGPNCOLPF-MGPQQGTHSA-N 285.384 0.828 0 50 CCAA CCc1cc(N2CCS(=O)(=O)CC2)nc(C)n1 272809642 CEFMQQSPGIFYJM-UHFFFAOYSA-N 255.343 0.582 0 50 CCAA CN(C[C@H](O)C(F)(F)F)C1(CO)CCOCC1 170612025 RGAPXZSVHQJUTL-QMMMGPOBSA-N 257.252 0.383 0 50 CCAA O=C(N[C@H](C(=O)O)c1ccccc1)c1cc[nH]c(=O)c1 190744433 OOUZXDPXPSGCDY-LBPRGKRZSA-N 272.260 0.931 0 50 CCAA C[C@H](O)CN(CC(F)F)C(=O)c1cn2cccnc2n1 1615590369 LIBTYTZNNNMJGY-QMMMGPOBSA-N 284.266 0.817 0 50 CCAA Cc1nn(C)c(C)c1CC(=O)N1CC[C@](O)(C(F)F)C1 1615591420 WBKBDZZPLLDZGL-CYBMUJFWSA-N 287.310 0.808 0 50 CCAA COc1nccnc1N1CCC2(CC1)CNC(=O)O2 1506425038 KVTWKMPTAIXHPI-UHFFFAOYSA-N 264.285 0.564 0 50 CCAA C[C@@H]1OCC[C@]1(O)CNC(=O)Cc1cccnc1 228704905 FQHRJAYXWUEKPY-GWCFXTLKSA-N 250.298 0.280 0 50 CCAA Cc1cccc(CN2CCC[C@@](O)(CC(N)=O)C2)n1 643805573 NIPCCXNKWARYBV-CQSZACIVSA-N 263.341 0.592 0 50 CCAA CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1 370916086 FUNRDRPUIJXTOK-YPMHNXCESA-N 250.346 0.939 0 50 CCAA C[C@@H](C(=O)N1CCCC1)N1CCO[C@@H](CN(C)C)C1 229557546 HBWYVOVNJREMHS-STQMWFEESA-N 269.389 0.260 0 50 CCAA Cc1ncn(C)c1-c1ncnn1[C@@H]1CCS(=O)(=O)C1 1857732073 AYVZXEZUSCEGHI-SECBINFHSA-N 281.341 0.347 0 50 CCAA COc1ccccc1NC(=O)CN1CCOCC1 19805548 FXVHYWJEIJKVKI-UHFFFAOYSA-N 250.298 0.966 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N1CCC[C@@]2(CCOC2)C1 1857686540 APVPOEGUSLEKPB-CQSZACIVSA-N 279.340 0.995 0 50 CCAA Cc1cnn(CCC(=O)N2CCC[C@H]2C(=O)O)c1 237797359 LKCPLGISXKPYST-JTQLQIEISA-N 251.286 0.657 0 50 CCAA NC(=O)[C@@H]1CN(Cc2ccn(-c3ccccc3)n2)CCO1 130177392 ZTQQQHIISNFFLG-AWEZNQCLSA-N 286.335 0.558 0 50 CCAA O=C(O)[C@H](CNC(=O)[C@H]1COCCO1)Cc1ccccc1 262536712 QLEZHKKAALPOSH-QWHCGFSZSA-N 293.319 0.462 0 50 CCAA O=C(O)CN(CC1CC1)C1CC(NC(=O)[C@H]2CCOC2)C1 262708913 KTMQSKSUKCRHHB-HIFPTAJRSA-N 296.367 0.467 0 50 CCAA CC(=O)NCc1ccc(C(=O)N2CCNC[C@H]2C)cc1 125359292 WFXGGKIWXKKCPW-LLVKDONJSA-N 275.352 0.757 0 50 CCAA Cc1noc2ncn(CCO[C@H]3CCOC3)c(=O)c12 917909880 ZYMJICZNEUWORZ-VIFPVBQESA-N 265.269 0.498 0 50 CCAA COc1cc(C(=O)N2CCC(N3CCC3)CC2)ncn1 826937162 WZLRLRPPBUBPIL-UHFFFAOYSA-N 276.340 0.796 0 50 CCAA CC(=O)Nc1c(C(=O)O)cc(C(=O)O)cc1C(=O)O 1857533511 JUOMIFJDYNMAHK-UHFFFAOYSA-N 267.193 0.740 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H](C)Cc1c(C)noc1C 859494358 SSZBGNQHCPDTPQ-VIFPVBQESA-N 279.340 0.983 0 50 CCAA Cn1ncc(Cn2cc3c(n2)CC(C)(C)CNC3=O)n1 871790523 UEWRKRKUHBAYHN-UHFFFAOYSA-N 274.328 0.372 0 50 CCAA O=C(Nc1ccnnc1)N[C@H]1CC[C@@H](C(=O)O)C1 952876025 GWMNZRHCGOPKIY-SFYZADRCSA-N 250.258 0.851 0 50 CCAA CC(=O)N1CC(C)(C)OC2(C1)CN(c1ncccn1)C2 952892569 ANZCARJUMSJHIN-UHFFFAOYSA-N 276.340 0.693 0 50 CCAA CN(Cc1nc(O)n[nH]1)C(=O)C[C@H]1CCC2(CCC2)O1 1875296504 ZYTSEAKTRTWZCY-SECBINFHSA-N 280.328 0.961 0 50 CCAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@H]3COCCO3)[C@@H]2C1 1875306205 XERNPUHKNCAZSJ-RCZSTQMZSA-N 269.297 0.017 0 50 CCAA COCc1cc(C2CN(C(=O)[C@@H]3CCCN3C)C2)no1 886085764 OELKUPGGLJFQTE-ZDUSSCGKSA-N 279.340 0.841 0 50 CCAA O=C1CC[C@H](NC(=O)c2cc(F)cnc2O)C2(CCC2)N1 888100798 VEYNLHXPMUIJCI-JTQLQIEISA-N 293.298 0.857 0 50 CCAA CCOCC(=O)N[C@H](Cc1ccc(O)c(OC)c1)C(=O)O 1775997772 LRXGYOFFGZBCLS-SNVBAGLBSA-N 297.307 0.549 0 50 CCAA C[C@@H]1C(=O)N(C[C@@H](O)CC(F)(F)F)C(=O)[C@@H]1C 249493161 VPHIJKVDTOHGHM-XVMARJQXSA-N 253.220 0.941 0 50 CCAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)C1=NN(C)C(=O)CC1 263517940 PNAZNEIJBXEDRP-BDAKNGLRSA-N 281.312 0.306 0 50 CCAA COC(=O)[C@@H](C)N1CCC[C@@H](CN2CCOCC2)C1 246699145 YATUCQZUNIZKSB-OLZOCXBDSA-N 270.373 0.592 0 50 CCAA CC(C)c1nc([C@H]2CN(CC3OCCO3)CCO2)n[nH]1 2325726957 BACKSIUIALSCOK-SNVBAGLBSA-N 282.344 0.674 0 50 CCAA CC1(O)CN(C(=O)c2ccc(-c3cn[nH]c3)cn2)C1 866821092 PQOXZNSBJIYQRR-UHFFFAOYSA-N 258.281 0.679 0 50 CCAA CN1C(=O)C[C@H](NCc2ccc3c(c2)OCO3)C1=O 49269 JXTAMOLJHDFRAZ-VIFPVBQESA-N 262.265 0.262 0 50 CCAA CCc1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1 541705 KJSHSFZYOCQJEO-LBPRGKRZSA-N 261.325 0.666 0 50 CCAA CC1(C)O[C@H]2[C@H](O)[C@@]3(COC(C)(C)O3)OC[C@H]2O1 2545101 NFHXOQDPQIQPKT-XBWDGYHZSA-N 260.286 0.377 0 50 CCAA biogenic,in-vitro NC(=O)N[C@H]1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1 342867510 CPPIBQGEYQXVFU-JTQLQIEISA-N 298.293 0.646 0 50 CCAA O=C(O)CCN1CCN(Cc2ccccc2)C(=O)C1=O 21155206 YDXOWWITCWZBPL-UHFFFAOYSA-N 276.292 0.332 0 50 CCAA OC[C@]12COCCN1CCN(Cc1cncc(Cl)c1)C2 1364822897 ZTNSYZDCKOYRNQ-CQSZACIVSA-N 297.786 0.614 0 50 CCAA O=C(N1CCCC1)[C@]1(O)CCCN(CC2=CCCOC2)C1 329061067 ZFBIDOZYWUGYJW-INIZCTEOSA-N 294.395 0.782 0 50 CCAA CCCc1nc(C)cc(N2CC[C@H](CO)[C@H](O)C2)n1 72148399 JLTSOAAVTXHYTA-VXGBXAGGSA-N 265.357 0.917 0 50 CCAA N=C(CF)NCCC[C@H](NC(=O)c1ccccc1)C(N)=O 35878899 OLFDULIIJWCYCK-NSHDSACASA-N 294.330 0.587 0 50 CCAA in-vitro CC[C@@H](C)[C@H](OC)C(=O)Nc1cn(C)c(=O)n(C)c1=O 331129167 AOXZOMRFUHQUPU-SCZZXKLOSA-N 283.328 0.084 0 50 CCAA C=CC(=O)NCCC(=O)N1CCN(CC(C)C)C(=O)C1 490705340 SZZZJOPOCSCGDT-UHFFFAOYSA-N 281.356 0.006 0 50 CCAA COc1ccc(F)cc1CC(=O)N1CCOC[C@H]1C(=O)O 263088104 HOFOUHUHBHCPGA-NSHDSACASA-N 297.282 0.689 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)N(C)Cc1ncc(C)[nH]1 216094476 SKOALZYRYJIGMT-NSHDSACASA-N 298.412 0.934 0 50 CCAA CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 333874312 VEHXKZBEHWGLJI-AEISUSGSSA-N 264.325 0.400 0 50 CCAA COCCc1noc(CNC(=O)c2cnn(C(C)C)c2)n1 77489296 MHFVNTGOKQMLSL-UHFFFAOYSA-N 293.327 0.966 0 50 CCAA O[C@@]1(CNCc2ccccc2-n2cccn2)CCNC1 72432970 NKXWSKAQKUNBPB-HNNXBMFYSA-N 272.352 0.686 0 50 CCAA CN(C[C@@H]1CCCN(Cc2ccno2)C1)S(C)(=O)=O 285680183 QYTYPDSIIYBDGP-NSHDSACASA-N 287.385 0.778 0 50 CCAA CCO[C@H]1CN(CC(=O)N(C)c2ccccc2)C[C@@H]1O 222735303 UECHJJYPUMJSJL-KBPBESRZSA-N 278.352 0.731 0 50 CCAA CC[C@@H](NC(=O)c1cnc(O)cn1)c1ncnn1C 223176434 UQUXHKHDOULTRV-SSDOTTSWSA-N 262.273 0.192 0 50 CCAA CCn1cnnc1CCNC(=O)N1CCCC[C@H]1CCO 426730634 YWXYPKMBNJIUOK-LBPRGKRZSA-N 295.387 0.787 0 50 CCAA CC[C@H](NC(=O)CNS(C)(=O)=O)c1nccs1 130574010 VAOCKFRGABPWFR-ZETCQYMHSA-N 277.371 0.260 0 50 CCAA C[C@@H]1CN(C(=O)NCCc2cnc[nH]2)CCCO1 426566854 HAJPZLOFARXHMS-SNVBAGLBSA-N 252.318 0.773 0 50 CCAA Cc1cnn(CCNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1 235940940 HDEWEYAVWHPQAM-WDEREUQCSA-N 265.313 0.809 0 50 CCAA CN(C)[C@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@@H]1C1CC1 91620410 CGYZPCLHSQCVPU-OLZOCXBDSA-N 275.352 0.787 0 50 CCAA CC(C)c1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)on1 244893103 YVUDGXUVYNWJTB-STQMWFEESA-N 253.346 0.905 0 50 CCAA N[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 299738571 CGLXYUOAHSHVAI-YNEHKIRRSA-N 277.372 0.644 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)COC1CCCCC1 299750590 OADOTOIVUKECEN-LLVKDONJSA-N 271.313 0.648 0 50 CCAA C[C@H](NC(=O)CNC(=O)N(C)C)c1cccnc1 534670898 JXXYAZWGUUJODK-VIFPVBQESA-N 250.302 0.530 0 50 CCAA CC(C)C[C@H](NC(=O)NCCCO)c1ncnn1C 534634795 NAGDWQXROUOHGH-JTQLQIEISA-N 269.349 0.584 0 50 CCAA Nc1ncc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)s1 534636315 PZCWNRPAUZVNCS-IUCAKERBSA-N 282.369 0.318 0 50 CCAA O=C(O)[C@H]1[C@H](O)CCN1C(=O)OCc1ccccc1 142109211 PXVPQILKAQMLKV-GHMZBOCLSA-N 265.265 0.843 0 50 CCAA Cc1nnnn1CCC(=O)NCc1cn2c(C)cccc2n1 299778072 ORADFZQDISWXES-UHFFFAOYSA-N 299.338 0.644 0 50 CCAA COCCN1C[C@H](CN(C)CCc2cn[nH]c2)CC1=O 299775215 AQGCPPPBNZPCAL-ZDUSSCGKSA-N 280.372 0.379 0 50 CCAA CN1CCN(CC2(CNC(=O)[C@@H]3CCOC3)CC2)CC1 823789075 BMICKFWJMUCCQS-CYBMUJFWSA-N 281.400 0.167 0 50 CCAA CSCCN1CCN(C(=O)C[C@@H](C)NC(C)=O)CC1 584892053 AXMNGNJERDKYGQ-LLVKDONJSA-N 287.429 0.408 0 50 CCAA CN1CC[C@@H](NC(=O)C2(N3CCOCC3)CCCCC2)C1 670466585 JZSCFJUKDMLOPR-CQSZACIVSA-N 295.427 0.842 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC(O)(C(F)F)CC1 1343108160 AVXQVNQFAOBHEP-UHFFFAOYSA-N 276.283 0.297 0 50 CCAA OC[C@@H]1CCCN(CCCNC[C@H]2[C@@H]3CNC[C@H]23)C1 952987374 MEVCXELEBQYTKX-TUVASFSCSA-N 267.417 0.136 0 50 CCAA O=C1Cc2cc(N3C[C@@H](C(=O)O)CC3=O)ccc2N1 65505630 VEMKUONUNQVLNZ-QMMMGPOBSA-N 260.249 0.619 0 50 CCAA CC1(C)C[C@@H](NC(=O)N2CCS(=O)(=O)CC2)CCO1 407984196 WFGBENQQDYFHCE-JTQLQIEISA-N 290.385 0.384 0 50 CCAA Cn1ccnc(N2CCC[C@@H](N[C@@H]3CCOC3)C2)c1=O 275486426 ISCSAHZJBBJRON-VXGBXAGGSA-N 278.356 0.128 0 50 CCAA CCOCCNS(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC 170610368 KUEOCKLEIANCHP-UWVGGRQHSA-N 279.358 0.284 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(c2nccnc2C)C1 643720876 OZRWLIIGQNDGNI-CYBMUJFWSA-N 264.329 0.252 0 50 CCAA C[C@@H]1CCCN(C(=O)C(=O)N2CCc3nocc3C2)C1 585122681 ZUAOTWDTYPLRTC-SNVBAGLBSA-N 277.324 0.818 0 50 CCAA CO[C@@H](C)CS(=O)(=O)Nc1cnc2ccnn2c1 585129751 UTXNQJYMFOCHNB-QMMMGPOBSA-N 270.314 0.506 0 50 CCAA CN1C[C@H](C(=O)NCCc2ccccc2O)CC1=O 194638106 XPAWSNQFGNWKJP-LLVKDONJSA-N 262.309 0.529 0 50 CCAA O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@H]1[C@@H]2CNC[C@@H]21 1615049899 QJUDEISXQQROCR-HALDLXJZSA-N 299.374 0.690 0 50 CCAA CC(C)(C)OC(=O)[C@H](O)[C@@H](O)C(=O)OC(C)(C)C 1721212 ITWOKJQQGHCDBL-HTQZYQBOSA-N 262.302 0.392 0 50 CCAA in-vitro Cc1cnn(CC(=O)NC(C)(C)c2noc(C)n2)c1 330596982 DIZFPKVPMIJGLS-UHFFFAOYSA-N 263.301 0.934 0 50 CCAA Cn1cc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cn1 1704306975 ZWDCCLZTDWUKBH-TZMCWYRMSA-N 273.340 0.246 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)C3(N)CCCC3)C[C@@H]2O)n[nH]1 1704300243 QFGODYVUDYESRN-YPMHNXCESA-N 292.383 0.351 0 50 CCAA CN1C[C@]2(CCCN(c3n[nH]c(=N)s3)C2)OC1=O 1857682887 UZZWTNRROPVQGZ-JTQLQIEISA-N 269.330 0.372 0 50 CCAA CCOCC(=O)N1CCCN(C(=O)C2CC2)CC1 158625872 ZHPMXAUPQNJNEM-UHFFFAOYSA-N 254.330 0.494 0 50 CCAA OCCOCCOCCOCCO[C@@H]1CCCCO1 34418949 XUTYVMRXVARJFT-CYBMUJFWSA-N 278.345 0.572 0 50 CCAA in-vitro O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cc2sccc2[nH]1 1857682590 WUMFJANBNUWTMW-CNVPUSNMSA-N 294.332 0.486 0 50 CCAA NS(=O)(=O)c1ccccc1CNC(=O)[C@@H]1CCCCO1 241139423 JQRZDPAZFQNBEF-NSHDSACASA-N 298.364 0.519 0 50 CCAA Cc1cnc(N2C[C@H]3COC[C@@H](C2)CN3C)nc1N 1704327334 BQDDCUHFJPTOLN-MNOVXSKESA-N 263.345 0.134 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CCO[C@@H](C3CC3)C2)n1 823756607 HPCNXSJLJYXWFO-CYBMUJFWSA-N 293.371 0.927 0 50 CCAA CN1C[C@H](O)C[C@@H]1CNC(=O)C[C@@H](O)c1cccc(F)c1 924989722 TYOMNPWEVPQUSR-MGPQQGTHSA-N 296.342 0.430 0 50 CCAA Cc1nc(CN(C)c2ncnc(N)c2Cl)n[nH]1 1875264098 JLVFPGYIVVCKIE-UHFFFAOYSA-N 253.697 0.775 0 50 CCAA C=CC(=O)N1CC(C(=O)NC[C@]2(OC)CCCSC2)C1 1875387277 ZBTFGLLNXJIUMD-CQSZACIVSA-N 298.408 0.659 0 50 CCAA CNS(=O)(=O)CCCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 408257233 RMYBGCYMKCKCBG-DDHJBXDOSA-N 274.386 0.035 0 50 CCAA C[C@H](C(=O)N1CCCC1)N(C)Cc1cnn(C)c1 78910223 LWISHXANTIQDJQ-LLVKDONJSA-N 250.346 0.863 0 50 CCAA CN1CCO[C@H](C(=O)N2CCC(C3(O)CC3)CC2)C1 652663930 TYCRLQYMCSOZSX-LBPRGKRZSA-N 268.357 0.081 0 50 CCAA CC(C)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)O)O2)CCO1 683337023 FUXLLDYKXYTCAK-VWYCJHECSA-N 271.313 0.502 0 50 CCAA CSc1nccc(N[C@H]2CCS(=O)(=O)C2)n1 1155051372 WPNFNNOLDYAJSO-ZETCQYMHSA-N 259.356 0.798 0 50 CCAA Nc1ccnc(C(=O)N2CCn3c(O)nnc3C2)c1Cl 2325850716 FVVFNRIAUPPWEA-UHFFFAOYSA-N 294.702 0.270 0 50 CCAA Cn1cnnc1SCC(=O)NC1=NCCS1 2476382 IKJJPEITPWFKLX-UHFFFAOYSA-N 257.344 0.126 0 50 CCAA Cn1ccnc1CCN1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2356149600 LKGMZJUNJZLNBT-OSFYFWSMSA-N 277.368 0.434 0 50 CCAA O=C1[C@@H](N[C@@H]2CCc3ncnn3C2)CCN1c1ccccc1 109329181 SSEDSOUIDUOFAH-OCCSQVGLSA-N 297.362 0.988 0 50 CCAA Cc1ccc(CN(CCN(C)C)C[C@H](O)CO)s1 55120205 FFNROIKWHBUHQK-LBPRGKRZSA-N 272.414 0.773 0 50 CCAA Cc1nn(C)cc1CCC(=O)N1CCC[C@@H](C(=O)O)C1 136165586 JNJVTWHAODFPEH-GFCCVEGCSA-N 279.340 0.984 0 50 CCAA CN(C)c1ccc(C(=O)NC[C@@H]2CNCCO2)c(F)c1 423991859 FOODHFVMMOUJKP-NSHDSACASA-N 281.331 0.610 0 50 CCAA O=C1C[C@H](C(=O)N2CCCN(C3CCCC3)CC2)CN1 172418893 DQOUIVXCKNQFRF-LBPRGKRZSA-N 279.384 0.599 0 50 CCAA C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)CS(C)(=O)=O 331227023 YJLFYFBKSTUYJP-GXFFZTMASA-N 297.376 0.882 0 50 CCAA CN1CC[C@@H]2CN(C(=O)N[C@@H](CCN)C(F)(F)F)C[C@@H]21 331473194 WKCLCPSJHHGNOW-UTLUCORTSA-N 294.321 0.612 0 50 CCAA C[C@@H](O)C(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1 71759012 NXZGNJKBOYTOIA-SNVBAGLBSA-N 299.330 0.702 0 50 CCAA COc1ccc(CC(=O)NCc2n[nH]c(C)n2)cc1OC 215634458 GWONBPHAVLRIIR-UHFFFAOYSA-N 290.323 0.989 0 50 CCAA C[C@H]1CC(=O)NCCN1C(=O)CCOC1CCOCC1 370288429 FBGVNVKVBBTZPT-NSHDSACASA-N 284.356 0.309 0 50 CCAA CCN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2N)C1 128614584 CMDSWENGHQWAMW-IJLUTSLNSA-N 255.362 0.093 0 50 CCAA CC(C)c1nnc([C@@H](C)NC(=O)C2=NNC(=O)CC2)o1 215764743 JFDMZBQAHQMTNW-SSDOTTSWSA-N 279.300 0.636 0 50 CCAA O=S1(=O)CCC[C@@H](Nc2nccn3nccc23)C1 129453339 SFTPHHICPWGBJC-SECBINFHSA-N 266.326 0.718 0 50 CCAA CCc1nc(CN2CCCC[C@@H]2C(=O)NC)n[nH]1 181746610 LSZHAHOAFZPFOJ-SECBINFHSA-N 251.334 0.468 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2occc2C)C1 284631830 QEKPIPVEZLBWFY-IUCAKERBSA-N 252.270 0.303 0 50 CCAA CCc1nocc1C(=O)N1CCC[C@@]1(COC)C(=O)NC 606444899 DOWCQFPIIGBDOS-CQSZACIVSA-N 295.339 0.604 0 50 CCAA Cc1ncsc1CCC(=O)N[C@@H]1CCOC[C@H]1O 222791794 CIPINWTYEARBPX-NXEZZACHSA-N 270.354 0.650 0 50 CCAA CC(=O)NCCC(=O)N[C@@H](C(=O)O)c1cccc(C)c1 426513795 YPYCVCKKMCLANN-CYBMUJFWSA-N 278.308 0.763 0 50 CCAA O[C@@H]1CN(Cc2cscn2)CC[C@H]1Nc1ncccn1 426434867 PSJPJHVUQBIJGQ-VXGBXAGGSA-N 291.380 0.980 0 50 CCAA Cc1cc(N2C[C@H](O)[C@@H](OC(C)C)C2)nc(N)n1 92081216 VLALZVUEOOMUIS-UWVGGRQHSA-N 252.318 0.342 0 50 CCAA CCn1nc(C)c(NC(=O)CN2CCOC[C@@H]2CO)c1C 240163600 JCFBABBMTCSNNP-LBPRGKRZSA-N 296.371 0.151 0 50 CCAA CSc1ncc(CN2CCN(C)[C@@H](C(=O)O)C2)cn1 244840333 ULCZJIIJYDVABW-SNVBAGLBSA-N 282.369 0.399 0 50 CCAA CC(C)S(=O)(=O)CC(=O)N1CCC[C@]1(C)C(=O)O 621576334 IPILXVZYZOFAJW-LLVKDONJSA-N 277.342 0.275 0 50 CCAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](O)C2 823597287 XNMKQVGSXKFKHC-JTQLQIEISA-N 263.341 0.989 0 50 CCAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1nc(C(N)=O)no1 824500055 CXCWZZYUQXAGQG-BRPSZJMVSA-N 266.301 0.310 0 50 CCAA CC(C)CC(=O)N1CCN(C[C@@H]2COCCO2)CC1 820912561 PTRSSEDSGRVGOQ-CYBMUJFWSA-N 270.373 0.592 0 50 CCAA COCC1(CNC(=O)C2(O)CCN(C)CC2)CCC1 584895677 AUTJSZBSWCLOQS-UHFFFAOYSA-N 270.373 0.376 0 50 CCAA CNC(=O)C[C@H]1CCN(Cc2cnc(N)s2)C1 670466072 PFSZMVFNARMEQX-MRVPVSSYSA-N 254.359 0.683 0 50 CCAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)[C@@H]1CCOC1 670445438 QBNTWFMDDXLFFZ-GFCCVEGCSA-N 295.383 0.819 0 50 CCAA N[C@@H](C1CCCC1)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958528275 PNAHLWMEHLXSMF-FXJUQPSGSA-N 273.398 0.975 0 50 CCAA COc1cccc2c1OC[C@H](NC(=O)c1cc(O)n[nH]1)C2 668171791 WYFMIKRBHVTTJS-SECBINFHSA-N 289.291 0.857 0 50 CCAA C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H]2CNC[C@@H]2C1 195250732 PQCROHDYABCGAI-UTUOFQBUSA-N 261.325 0.527 0 50 CCAA Cc1noc(C)c1CN1CCC[C@](O)(c2cnn[nH]2)C1 794009784 OISATQNWBNGJBT-CYBMUJFWSA-N 277.328 0.893 0 50 CCAA CCn1cc(S(=O)(=O)NCCNc2cccnn2)cn1 1615054597 AHVCBKYYCNBYBY-UHFFFAOYSA-N 296.356 0.083 0 50 CCAA O=C(c1cn2cccnc2n1)N1CC[C@@](O)(C(F)F)C1 1615591088 UFCYDCIMHKBNEA-LBPRGKRZSA-N 282.250 0.571 0 50 CCAA Cn1nnn(C[C@@H]2CCCC23CCOCC3)c1=O 1644098484 SMHNMPSBKVWRPD-JTQLQIEISA-N 252.318 0.574 0 50 CCAA Cc1ncc(CO)c(CN[C@@H]2CC=CC[C@H]2C(N)=O)c1O 1506418225 VYBWKWPUYXDKBJ-DGCLKSJQSA-N 291.351 0.498 0 50 CCAA CCN(CCN1CCOCC1)C(=O)Cc1nonc1C 1506400079 MALKFHMCYPKRRQ-UHFFFAOYSA-N 282.344 0.101 0 50 CCAA CC(=O)N1CCN(C(=O)c2cnc(C)[nH]2)[C@H](C)C1 407997981 QDCGRFLHOBTTHR-MRVPVSSYSA-N 250.302 0.411 0 50 CCAA Cn1cc(C(=O)Nc2cnn[nH]2)c(C(F)(F)F)n1 935596192 HTEAKOZJNZEPFN-UHFFFAOYSA-N 260.179 0.809 0 50 CCAA CCn1cnnc1CCNC(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1772707106 ZHJDKWPPLCFPIE-GRYCIOLGSA-N 296.371 0.133 0 50 CCAA CN(C)c1ncc2c(n1)CCC[C@@H]2NS(C)(=O)=O 12718784 QRZNZXNWFICWLW-JTQLQIEISA-N 270.358 0.469 0 50 CCAA CCNC(=O)[C@@H]1CCCN(C2CCN(C)CC2)C1 14972211 JXGRLWDWCQMTCG-GFCCVEGCSA-N 253.390 0.929 0 50 CCAA Cn1c(C(=O)NCc2nc[nH]n2)cnc1Br 1857682333 JCKYXDWPBHKXOH-UHFFFAOYSA-N 285.105 0.231 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)c2c[nH]c(=N)s2)CC[C@H]1O 1857721834 IFDWEOXTGRYEGJ-MFKMUULPSA-N 299.396 0.541 0 50 CCAA O=C(NCc1cnn2ccccc12)NC[C@@H](O)C1CC1 573353486 AMHUHCXVBBSWDO-CYBMUJFWSA-N 274.324 0.904 0 50 CCAA CCCn1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)cn1 263282599 JYJWZRXQRJZJRU-NSHDSACASA-N 281.312 0.609 0 50 CCAA CNC(=O)NC(=O)CN1CC[C@H](Cc2nccs2)C1 934338444 ZFRAVLPTRFGRMN-SECBINFHSA-N 282.369 0.463 0 50 CCAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)CC1 1875266790 XBZABFKZRMHOLO-CHWSQXEVSA-N 297.399 0.526 0 50 CCAA COCC(C)(C)C(=O)N1CCC[C@](O)(C(=O)O)C1 1875291828 MVKVOTMUCNXASR-GFCCVEGCSA-N 259.302 0.097 0 50 CCAA CCn1ncc(CN[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)n1 1875400321 WUUHRIQIURMYKU-IACUBPJLSA-N 290.371 0.424 0 50 CCAA CC(=O)NC[C@@H]1CN(Cc2c3c(nn2C)CCC3)CCO1 892055089 GCNIPXAEFVYYPG-GFCCVEGCSA-N 292.383 0.246 0 50 CCAA CC[C@@H]1CN([C@H](C)C(=O)NC(C)C)CCN1C[C@@H](C)O 252506811 VPLQGDSXPWEKRT-MGPQQGTHSA-N 285.432 0.677 0 50 CCAA O=c1c2sccc2ncn1C[C@@H]1COCCO1 32540706 FBGJPNWAOKOCHN-MRVPVSSYSA-N 252.295 0.873 0 50 CCAA COc1cc(C(=O)N2C[C@@H](O)C[C@H]2C)cc(C)n1 407968705 UUCULZPPNSSJII-KOLCDFICSA-N 250.298 0.994 0 50 CCAA CCOC[C@@H](O)CN1CCC(c2cnn(C)c2)CC1 330759404 KEHZIGIJDNHJOA-AWEZNQCLSA-N 267.373 0.997 0 50 CCAA Cn1c(CN)nnc1SCc1nc(C(F)(F)F)no1 426500369 XULWCNHARFUCAY-UHFFFAOYSA-N 294.262 0.968 0 50 CCAA Cc1cc2n(n1)CCN(CC(=O)NC[C@H]1CCCO1)C2 670451073 VHIHQJAKWAAZOR-CYBMUJFWSA-N 278.356 0.302 0 50 CCAA O=C(N=c1ccn(Cc2ccncc2)[nH]1)C(F)(F)CO 2325776248 HACFLIYDTPKSDU-UHFFFAOYSA-N 282.250 0.314 0 50 CCAA O=C1C[C@H](CNC(=O)c2n[nH]cc2-c2ccncc2)CN1 2325798061 KUOOMLZAFKYOTQ-VIFPVBQESA-N 285.307 0.338 0 50 CCAA COC(=O)[C@@H]1CC12CCN(C(=O)c1cc(O)no1)CC2 2356142614 ZNMDTKFRLRKCEQ-QMMMGPOBSA-N 280.280 0.796 0 50 CCAA CCCCS(=O)(=O)N1CCN(c2ncccn2)CC1 6725911 JZYXFBSJDFWNEK-UHFFFAOYSA-N 284.385 0.729 0 50 CCAA Cc1cc(C)n(C[C@H](O)CN2C(=O)NC(C)(C)C2=O)n1 6922170 ZMXYJONAFPIYBK-SNVBAGLBSA-N 280.328 0.191 0 50 CCAA CCCN1C[C@@H](C(=O)N(C)Cc2ccon2)CC1=O 412117684 DQCJERROADZFQM-JTQLQIEISA-N 265.313 0.892 0 50 CCAA O=c1ccc2cc(OS(=O)(=O)O)c(O)cc2o1 22016639 XZTWKBUEJUJJPR-UHFFFAOYSA-N 258.207 0.680 0 50 CCAA Cc1cc(OCC(=O)NOCC(F)(F)F)no1 135213763 OWTVGNCXNFKRQO-UHFFFAOYSA-N 254.164 0.972 0 50 CCAA O=C1CC[C@@H](NC(=O)c2ccn(-c3ccccc3)n2)C(=O)N1 174272459 TURACWJWFHSDMI-LLVKDONJSA-N 298.302 0.407 0 50 CCAA CN(C)C(C)(C)CNC(=O)c1cn([C@H]2CCCNC2)nn1 424127658 BHGPDHZPBPPHKN-NSHDSACASA-N 294.403 0.273 0 50 CCAA CCn1ccc(C(=O)NCCCN2CCCC2=O)cc1=O 215216492 ZBMBQWABLOSPRN-UHFFFAOYSA-N 291.351 0.611 0 50 CCAA CC(=O)N[C@@H](C)C(=O)N1CCN(CC2CCOCC2)CC1 172463770 OKDIJQWQMSTMQO-LBPRGKRZSA-N 297.399 0.082 0 50 CCAA Cc1cc(C2CCC2)nc(N2CCN(CC(N)=O)CC2)n1 71762955 PXRBFGWMQKJOFC-UHFFFAOYSA-N 289.383 0.660 0 50 CCAA NCCn1cc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)nn1 77378393 HNYWIYHSLSOVIY-DCAQKATOSA-N 263.345 0.545 0 50 CCAA CC(C)Oc1cccc(C(=O)N2CC(=O)N[C@@H](C)C2)n1 331349038 XMQGWROTBWFYCY-JTQLQIEISA-N 277.324 0.829 0 50 CCAA C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN2CCC[C@H]2C1 257365427 KHNVWIXDRZWXDQ-YPMHNXCESA-N 287.429 0.742 0 50 CCAA CCNC(=O)CN(CC)C(=O)[C@H]1C[C@]12CCOC2 364848179 AQFKYOVCRHJWHP-MFKMUULPSA-N 254.330 0.398 0 50 CCAA C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1CCC(=O)NC1=O 333240588 ILJSJRMMRDCEFH-OUAUKWLOSA-N 282.340 0.503 0 50 CCAA Cc1cc(C)nc(CCNC(=O)c2cccc(=O)[nH]2)n1 215983492 WMOAPNALULZCHL-UHFFFAOYSA-N 272.308 0.754 0 50 CCAA C[C@@H]1CN(c2ncnc3c2NC(=O)CS3)CC(=O)N1C 374542226 DTHHXCPVHZFFAD-SSDOTTSWSA-N 293.352 0.188 0 50 CCAA COCc1noc(CN2CCN(CC(C)C)C(=O)[C@H]2C)n1 72143764 JUSBAPKPIVYFPE-LLVKDONJSA-N 296.371 0.905 0 50 CCAA CNC(=O)[C@H]1CCCN1C(=O)c1cc(C(C)C)nn1C 174160561 FRRYWVAPOCJQAN-LLVKDONJSA-N 278.356 0.894 0 50 CCAA COC(=O)[C@H](N)Cc1cc([C@H]2CCCN2C(C)=O)no1 44126726 QXCMWXOKADMCSS-ZYHUDNBSSA-N 281.312 0.401 0 50 CCAA C[C@H](O)CN1CCN(CC(=O)N2CCCC[C@H]2C)C[C@H]1C 241846613 SMFQJYIJCSYXBQ-KFWWJZLASA-N 297.443 0.774 0 50 CCAA CSCC[C@@H](O)C(=O)NCC1(Cn2ccnc2)CC1 220307587 NKYUEOABJDCTKA-LLVKDONJSA-N 283.397 0.894 0 50 CCAA CN(C)Cc1cccc(C(=O)NCCc2cnn[nH]2)c1 426627814 PAQLDDDLHOQYIS-UHFFFAOYSA-N 273.340 0.839 0 50 CCAA Cc1ccc(C(=O)NC[C@H]2COCCN(C)C2)c(=O)n1C 426488423 VZFADMBVKYRZLK-GFCCVEGCSA-N 293.367 0.002 0 50 CCAA CCCc1nnc(N2CCC[C@@](O)(CO)CC2)o1 95371591 CJJMJEUPRDIPDW-LBPRGKRZSA-N 255.318 0.736 0 50 CCAA CCC[C@@]1(CO)CCCN(C(=O)CNC(N)=O)C1 91745912 NGPCHEWDMCUTBC-GFCCVEGCSA-N 257.334 0.056 0 50 CCAA Cc1nn(C)c2nc(N[C@@H]3CCN(C)C3=O)sc12 95501479 CBBYBXPDVJFAJT-SSDOTTSWSA-N 265.342 0.981 0 50 CCAA CN(CCCn1cnnn1)C[C@H]1CCCCN1C 244899997 ZUBAEOJYKAARPN-GFCCVEGCSA-N 252.366 0.479 0 50 CCAA CCO[C@@H](C)CN(C)Cc1nc(C(=O)NC)no1 252489990 KGWSQDFVMQTFGA-QMMMGPOBSA-N 256.306 0.286 0 50 CCAA O=C(N1CC(OC(F)F)C1)C1(F)CCOCC1 867639638 YBPAYOZWZFBXLQ-UHFFFAOYSA-N 253.220 0.955 0 50 CCAA Cc1ccc(C(N)=O)c(NCCN2CCC(CO)CC2)n1 534577411 YTOOBJNZGHNARN-UHFFFAOYSA-N 292.383 0.605 0 50 CCAA C[C@@H]1CCCCN1C1CN(C(=O)NCc2nc(N)n[nH]2)C1 534672995 BMGLSABSHYGZDS-SECBINFHSA-N 293.375 0.155 0 50 CCAA Cc1cccc([C@H](NC(=O)CCn2cnnc2)C(=O)O)c1 534640799 VQXAYDVKCLEQRU-ZDUSSCGKSA-N 288.307 0.919 0 50 CCAA O=S(=O)(N1CCCC1)N1C[C@H]2CC[C@@H](C1)NC2 534578965 PTDQBPPHODDEDG-QWRGUYRKSA-N 259.375 0.011 0 50 CCAA CC(C)CN1CCCN(C(=O)CCn2cncn2)CC1 363035370 LFVPZJPVAJHOBQ-UHFFFAOYSA-N 279.388 0.859 0 50 CCAA COCCN1CCC[C@@H](CNC(=O)c2cccc(O)n2)C1 824413126 DWWBAKZPLXYJGA-LBPRGKRZSA-N 293.367 0.875 0 50 CCAA COc1nc(NC[C@@H]2CC(=O)N(C)C2)ncc1F 824845833 UJCPIDMLLXVZMP-ZETCQYMHSA-N 254.265 0.515 0 50 CCAA Cc1cccnc1[C@H](NC(=O)CN(C)C(N)=O)C1CC1 584900286 FWOLCBGLRCNRKV-CYBMUJFWSA-N 276.340 0.968 0 50 CCAA CC(C)c1cc(C(=O)N[C@@H]2[C@H]3OCC[C@H]3[C@H]2N)no1 1074575124 KQFSUJMRMIJQLQ-VJRRCQHZSA-N 265.313 0.642 0 50 CCAA CC(C)(C)N1C[C@@H](NC(=O)NC2CSC2)CC1=O 1413776400 QYHWTCYFICEGLU-QMMMGPOBSA-N 271.386 0.800 0 50 CCAA Cc1c(Cl)c(C(=O)N2C[C@@H](O)[C@H](F)C2)nn1C 952984480 UNTQXMBGYQNNHL-RNFRBKRXSA-N 261.684 0.537 0 50 CCAA CCc1nc2c(N3CC[C@@H](CO)[C@@H](O)C3)ncnc2o1 1565507101 GAHWXVUDAMPCPR-IUCAKERBSA-N 278.312 0.360 0 50 CCAA CC(=O)N1CC[C@@H](CN(C)C(=O)C2(O)CCCC2)C1 407994113 ALLHMUVYDDJRQL-LBPRGKRZSA-N 268.357 0.618 0 50 CCAA Cc1cc(C(=O)N2CCN(c3ccnc(C)n3)CC2)cnn1 276467895 WUTYARKRFDXVOI-UHFFFAOYSA-N 298.350 0.846 0 50 CCAA C[C@@]12CN(C(=O)Cn3cccnc3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 578729780 BSKJRYDETVRRNX-DVZHBHJUSA-N 285.347 0.914 0 50 CCAA CCN1CCCC[C@@H]1CN=c1[nH]c(C)nc(=N)[nH]1 585092903 TTWFSENPNOASGH-SNVBAGLBSA-N 250.350 0.301 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1C[C@@H](C)N(C)C[C@H]1C 585135443 KBCWJERAMPPBMS-VXGBXAGGSA-N 267.373 0.572 0 50 CCAA CNC(=O)Cn1cc(NC(=O)[C@H](C)N2CCCC2)cn1 1529109870 GTBORPNLHOBTSM-JTQLQIEISA-N 279.344 0.052 0 50 CCAA Cc1cnc(CNC(=O)c2nc(Cl)n(C)n2)cn1 1857737394 KLXGOAIFOAYULT-UHFFFAOYSA-N 266.692 0.497 0 50 CCAA C[C@@H](O)CN(CC(F)F)C(=O)c1cn2cccnc2n1 1615590366 LIBTYTZNNNMJGY-MRVPVSSYSA-N 284.266 0.817 0 50 CCAA O=C(CN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)NCc1cccnc1 110648912 WGXKXWAZBLNTRR-BYNSBNAKSA-N 287.363 0.807 0 50 CCAA Cc1cc(C[C@@H]2CN(CCn3cnnc3)C[C@@H]2O)on1 1704298896 KTJBVTASTCNABF-YPMHNXCESA-N 277.328 0.110 0 50 CCAA CC(C)N1CC[C@H](N2C[C@@H]3[C@@H](C2)C3(CO)CO)C1 1772804307 LQCYADXDEPOGOF-YNEHKIRRSA-N 254.374 0.002 0 50 CCAA COCCN1CCC[C@@](O)(CNC(C)(C)C)C1=O 12466939 KUIXCJJCWFITCY-CYBMUJFWSA-N 258.362 0.374 0 50 CCAA CCN(c1ccc(C(=O)NC)cc1)S(C)(=O)=O 13681429 LZDASTMFMHEXJW-UHFFFAOYSA-N 256.327 0.832 0 50 CCAA CCC(=O)NCCNc1ccc(-n2ccc(C)n2)nn1 19924181 FLHQVWZAXONCNH-UHFFFAOYSA-N 274.328 0.909 0 50 CCAA COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1 225425346 GGRDMXOOUFLSFL-SNVBAGLBSA-N 299.352 0.505 0 50 CCAA O=C(OC[C@@H]1CO1)[C@@H]1CCCC[C@H]1C(=O)OC[C@@H]1CO1 2582048 XFUOBHWPTSIEOV-NNYUYHANSA-N 284.308 0.677 0 50 CCAA in-vitro C[C@H]1CN(c2ncc(C(=O)O)cc2Cl)C[C@@H](C(N)=O)O1 629767169 HTJNKHCKYFKGRK-RCOVLWMOSA-N 299.714 0.512 0 50 CCAA NCCN(CCc1ccccc1)C(=O)[C@@H]1CNCCO1 261760528 QFVAVYQQDIGBRX-AWEZNQCLSA-N 277.368 0.005 0 50 CCAA NCCC(=O)NC[C@H]1CCCCN1C[C@H](O)C(F)(F)F 864097546 YZIUDWHFAKAFCW-ZJUUUORDSA-N 297.321 0.229 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@H]1CC(=O)N(c2ccccn2)C1 1875259366 AEZXODXNRDHQTL-WDEREUQCSA-N 291.307 0.271 0 50 CCAA COC[C@@H](C)NC(=O)Cn1cc(C2(O)CCCCC2)nn1 1875317834 KCRYQWWETRBRJK-LLVKDONJSA-N 296.371 0.581 0 50 CCAA C[C@H]1CC(=O)N[C@H]1C(=O)N1CCC[C@H]1c1cc[nH]n1 1875397108 LPBHICZYWGNLQV-PTOFAABTSA-N 262.313 0.598 0 50 CCAA CO[C@@H]1CN(C(=O)C(C)(C)OC)C[C@H]1c1cn(C)nn1 886077719 DEAISRFQTNGMRU-GXSJLCMTSA-N 282.344 0.181 0 50 CCAA COCCS(=O)(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1 261917473 ZACCOXDFAIHCMD-QWHCGFSZSA-N 284.381 0.389 0 50 CCAA C[C@H]1CCCCN1S(=O)(=O)N(C)CC1(O)CCC1 408215050 NWADVHQLVSNZSM-NSHDSACASA-N 276.402 0.952 0 50 CCAA C[C@H](N1CCN(Cc2nnnn2C)CC1)C(F)(F)F 408365428 GWKGWYQNICQIRW-QMMMGPOBSA-N 278.282 0.279 0 50 CCAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@](O)(CO)C1 313643043 JVKWMVLZVCNISA-LBPRGKRZSA-N 289.328 0.252 0 50 CCAA CC(C)(C)CN(CC(=O)O)C(=O)[C@@H]1CCCS1(=O)=O 659781800 LGPLJUMJVMPXLF-VIFPVBQESA-N 291.369 0.523 0 50 CCAA CN1CCO[C@@H](CNC(=O)c2ncccc2F)C1 667605330 DWRDYIIGUGKMCW-VIFPVBQESA-N 253.277 0.281 0 50 CCAA Cc1cnn(C)c1CN1CCC[C@@H](N2CCNC2=O)C1 368031932 WRVNSFFTPNAGEC-GFCCVEGCSA-N 277.372 0.718 0 50 CCAA CCc1ccc(S(=O)(=O)N[C@H]2CNCC[C@H]2O)s1 534638512 LRGJLKUUAAPELZ-VHSXEESVSA-N 290.410 0.312 0 50 CCAA CN(C)[C@H]1CN(C(=O)c2ccc(F)c(O)c2)C[C@@H]1O 584902178 UPHYJFDHZDXWEE-JQWIXIFHSA-N 268.288 0.278 0 50 CCAA Cc1c(C(=O)NC[C@@H](C)c2nncn2C)cnc2ccnn12 2325791504 FDYJTBMHRHGLJB-SECBINFHSA-N 299.338 0.700 0 50 CCAA CO[C@@H]1OC[C@H](OCc2ccccc2)[C@@H](O)[C@H]1O 1317969 LBIITPLCZVCVQD-UMSGYPCISA-N 254.282 0.296 0 50 CCAA CCOc1ccc(NC(=O)CCC(=O)NCCO)cc1 2252042 CZFBVPLDRPTVQL-UHFFFAOYSA-N 280.324 0.913 0 50 CCAA N[C@@H](CCC(=O)Nc1ccc(C(=O)O)cc1)C(=O)O 2391143 DPRFSOHHKVLCCY-VIFPVBQESA-N 266.253 0.515 0 50 CCAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCN(C)CC1 20553898 VVIKZBYQSGXNHL-UHFFFAOYSA-N 298.364 0.629 0 50 CCAA O=C(c1cc2n(n1)CCN(c1cnccn1)C2)N1CCCC1 67784330 JZWLLXWXKBPWCI-UHFFFAOYSA-N 298.350 0.929 0 50 CCAA CC(=O)N1CCN(c2ccc3nnc(C(F)F)n3n2)CC1 408292909 FDLOSHQONMTSLW-UHFFFAOYSA-N 296.281 0.730 0 50 CCAA CC(C)N1C[C@@H](N2C(=O)[C@H]3CCCN3C2=O)CC1=O 253432133 IYDGYLMXHDXXSK-VHSXEESVSA-N 265.313 0.422 0 50 CCAA CCc1nc(C)c(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)o1 72424779 UBAYCYUOXGXAOC-RYUDHWBXSA-N 293.367 0.827 0 50 CCAA CC(=O)Nc1cc(I)c[nH]c1=O 38534051 FBJQVCGPAZOJAE-UHFFFAOYSA-N 278.049 0.938 0 50 CCAA in-vitro CC(=O)N[C@H](C)c1nc2ccccc2n1CC(N)=O 32497937 NCTGYJFWHGULJJ-MRVPVSSYSA-N 260.297 0.719 0 50 CCAA O=C(c1cn2ccsc2n1)N1CCC(O)(CO)CC1 71752149 WUGGKFQWSRNZPB-UHFFFAOYSA-N 281.337 0.355 0 50 CCAA O=C(CCOC1CCOCC1)N1CC[C@@](O)(C2CC2)C1 373354508 LLNYDPAGZWVRRC-HNNXBMFYSA-N 283.368 0.946 0 50 CCAA COCc1cccc(S(=O)(=O)N(C)[C@H](C)C(=O)O)c1 262407927 KZFQQUZKTFDIFB-SECBINFHSA-N 287.337 0.927 0 50 CCAA Cc1cnc(C(=O)NCc2cc3n(n2)CCCNC3)cn1 82134275 BLHQZBHFMRXWIG-UHFFFAOYSA-N 286.339 0.405 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1cc(-n2cccn2)ccn1 263212499 LRNKSFCBURQNCT-AOOOYVTPSA-N 286.291 0.860 0 50 CCAA COCCNC(=O)Cn1nc(-c2cccs2)ccc1=O 44893482 IGXLXYSZRSFVSR-UHFFFAOYSA-N 293.348 0.734 0 50 CCAA Cc1nc(CC(=O)N[C@H]2COc3ccccc3C2=O)n[nH]1 613038918 DQOYEMPVODPMSU-JTQLQIEISA-N 286.291 0.416 0 50 CCAA O=C(NCc1nc[nH]n1)N1CCC[C@@]2(CCNC2)C1 426612205 BISDEARCKJQKKC-LBPRGKRZSA-N 264.333 0.090 0 50 CCAA Cc1cnc(C(=O)N[C@H](C)Cc2cnccn2)cn1 220569977 ZTMJJRNLHIXXHQ-SECBINFHSA-N 257.297 0.936 0 50 CCAA CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)O)NC1 381791730 LTAROFVUFUFTCC-RKDXNWHRSA-N 258.318 0.964 0 50 CCAA Cc1cc(C)n(CCNC(=O)N2CCC[C@@H](C(N)=O)C2)n1 426433549 DVNIZVNFALEJSN-GFCCVEGCSA-N 293.371 0.407 0 50 CCAA CN[C@@H](C)C(=O)N1CCC(c2nccn2CCOC)CC1 95497455 LBPKDAOCPGIKJU-LBPRGKRZSA-N 294.399 0.843 0 50 CCAA CNC(=O)c1nc(Cn2ncc3ccccc3c2=O)no1 95390403 WIWPSOUIBFZPKU-UHFFFAOYSA-N 285.263 0.187 0 50 CCAA Cn1ccnc1-c1cn(CCN2CCOCC2)nn1 91738090 CCKDHEINNOXXDF-UHFFFAOYSA-N 262.317 0.011 0 50 CCAA O=C(NCCc1c[nH]cn1)c1cn2cccnc2n1 97288690 OVXXQTBOFCURKW-UHFFFAOYSA-N 256.269 0.425 0 50 CCAA Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1nc[nH]n1 619318865 TVRVSWBFLHGKOK-DTWKUNHWSA-N 276.300 0.046 0 50 CCAA Cc1nn(C)c(C)c1[C@@H](C(=O)O)N(C)CCN(C)C 95386247 CNEVZDIPDRWGLA-LBPRGKRZSA-N 268.361 0.656 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@@]13CCC[C@]53[C@H]42 248045448 PMEPXPVQINDYQV-MOZJSEDJSA-N 257.293 0.120 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@@H](C)c2ncc(C)[nH]2)c(=O)n1 534667831 AMEJBHDGVSEASJ-NSHDSACASA-N 289.339 0.769 0 50 CCAA CNC(=O)c1cccnc1NCCCN1CCC[C@H](O)C1 823836618 ZPYFMMSCVWGVSR-LBPRGKRZSA-N 292.383 0.700 0 50 CCAA CC1=NO[C@](C)(C(=O)N(C)CCn2ccnc2)C1 584901005 HATMFEWOWYFQDW-LBPRGKRZSA-N 250.302 0.896 0 50 CCAA Cc1cc(N2CCN(Cc3cc[nH]n3)CC2)nc(N)n1 670437495 JFHIMSYTDNJIFX-UHFFFAOYSA-N 273.344 0.413 0 50 CCAA Cc1cc2nc(C(=O)NCCc3ncnn3C)cc(C)n2n1 670439036 FRVKXSMLWXAZSH-UHFFFAOYSA-N 299.338 0.447 0 50 CCAA CCc1ccc(C(=O)N2C[C@@H]3COCC[C@]3(C(N)=O)C2)o1 952850524 NBBCJPJLVGWRFS-BMIGLBTASA-N 292.335 0.806 0 50 CCAA O=C(O)CC[C@]12CCC(=O)N1c1ccccc1-c1nnnn12 952963678 JEZYDMCZQHOOMZ-CQSZACIVSA-N 299.290 0.998 0 50 CCAA COc1ccc2[nH]nc(CN3CC[C@H](N)[C@@H](O)C3)c2c1 1565526451 NSRFDXUQUUNQRE-FZMZJTMJSA-N 276.340 0.465 0 50 CCAA COCC(COC)NC(=O)N1C[C@H](C)[C@@](C)(CO)C1 665035369 ODPJLFSSCGTVFI-GXFFZTMASA-N 274.361 0.308 0 50 CCAA CCN(C[C@H]1CCOC1)C(=O)c1c[nH]nc1[C@@H]1CCNC1 662424257 SDRSLYNATRQTPU-VXGBXAGGSA-N 292.383 0.985 0 50 CCAA COc1cncc(C(=O)NCc2ccccc2CO)n1 575041336 FFXAAEXKYFIRQJ-UHFFFAOYSA-N 273.292 0.908 0 50 CCAA COCc1cccc(CN2C[C@@H](O)C[C@H]2CO)c1 186513275 IQGWCOVNTFKYQS-KBPBESRZSA-N 251.326 0.761 0 50 CCAA CN(C)c1ccc(C(=O)N2CC[C@@](C)(C(=O)O)C2)nn1 1615045873 JGUUPWYKYWOTEB-CYBMUJFWSA-N 278.312 0.479 0 50 CCAA COC(=O)[C@@H]1CCCCN1CC(=O)N1CCO[C@@H](C)C1 219577333 SCFRKLHZDNCDMZ-RYUDHWBXSA-N 284.356 0.261 0 50 CCAA O=C(O)[C@H]1CN(C2CCN(C(=O)C3CCC3)CC2)CCO1 1506424021 YADFHZKCXYEWOX-CYBMUJFWSA-N 296.367 0.563 0 50 CCAA COc1nc(N2CCC[C@@H](C(N)=O)C2)ncc1F 1704324745 DXLGQODGZUHAPL-SSDOTTSWSA-N 254.265 0.326 0 50 CCAA O=C(N[C@H]1CCNC[C@@H]1O)c1ccc(F)c(F)c1 212704120 FUXPFEYLESBARY-QWRGUYRKSA-N 256.252 0.417 0 50 CCAA CCc1cc(N2CC(C(=O)O)C2)nc(N(C)C)n1 1704325036 JARBISSBDFRDAA-UHFFFAOYSA-N 250.302 0.626 0 50 CCAA Cn1nccc1[C@@H](CO)NC(=O)c1cncs1 622693542 NOXCOKMKPAUMKE-SSDOTTSWSA-N 252.299 0.340 0 50 CCAA CC[C@@](NC(=O)CN1CCOCC1)(C(=N)O)C(C)C 330792279 BZVFRMMORCHQJM-ZDUSSCGKSA-N 271.361 0.775 0 50 CCAA CCN1CCN(C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)CC1 138660888 HZXBQHDDJXYSRI-WUHRBBMRSA-N 280.368 0.897 0 50 CCAA CN1C[C@@H](CN2CCN(CC3CC3)CC2)CCC1=O 1775979000 DPKMZGPDMGDKCC-AWEZNQCLSA-N 265.401 0.882 0 50 CCAA CCn1ccc(CN2CCO[C@H]3C[C@H](CO)C[C@@H]32)n1 1857728659 LCJQFVQNZCMJQN-XBFCOCLRSA-N 265.357 0.875 0 50 CCAA CC[C@@H](CO)NC(=O)C(=O)NCCc1ccccc1 2857440 YRJAYWNXVCDQMA-LBPRGKRZSA-N 264.325 0.232 0 50 CCAA CCOC1CC(NC[C@]2(CO)COCC3(CCC3)N2C)C1 527954924 NAXRRTRFXBYUSN-XUJLQICISA-N 298.427 0.759 0 50 CCAA C[C@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@H]1CN 237659568 ZQIRPZMXDNGBTJ-JQWIXIFHSA-N 273.340 0.929 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)CCO1 360552801 LBOTYIOBXJLZTL-QWRGUYRKSA-N 295.266 0.441 0 50 CCAA COC(=O)[C@](C)(O)CNC(=O)c1ccc(F)cc1C 390834165 TVXCQGWRBWHTJV-CYBMUJFWSA-N 269.272 0.788 0 50 CCAA Cc1nc(N2CCN(Cc3nnsc3Cl)CC2)n[nH]1 825261854 SLVYCLUHUBRAHY-UHFFFAOYSA-N 299.791 0.940 0 50 CCAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1[nH]nc2c1CCCC2 19219389 AFDMVOFGEVRWEL-MRVPVSSYSA-N 281.337 0.329 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)O[C@@H]2COC[C@@H]21 1857779224 IUZQDJIWGFRUJE-DJLDLDEBSA-N 273.285 0.474 0 50 CCAA Cc1cc(N2CC[C@@]3(CCCNC3)C2)nc(CO)n1 1875282132 OMPWSTYQEXAXJF-CQSZACIVSA-N 262.357 0.857 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@@H]1CCCn2nccc21 1875266365 NWNZBIGNGVUVQF-NXEZZACHSA-N 251.286 0.597 0 50 CCAA O=C(Cn1ncc2ncccc21)Nc1nccc(O)n1 1875333280 LYZUGKYFWQCDQE-UHFFFAOYSA-N 270.252 0.566 0 50 CCAA Cc1ccc(C(=O)N2C[C@@H]3CCO[C@]3(CO)C2)nc1 1875318631 JNIYLGCEXBQEFT-FZMZJTMJSA-N 262.309 0.613 0 50 CCAA CN(C)CC(=O)N1CCOc2ccccc2[C@@H]1CO 887109303 ITGHPSFXXOSZIV-LBPRGKRZSA-N 264.325 0.503 0 50 CCAA C[C@H]1CCO[C@H]1CS(=O)(=O)N[C@H](C)Cn1cccn1 1775992026 WSEIJTMJSCPTCB-TUAOUCFPSA-N 287.385 0.616 0 50 CCAA CCCn1ccnc1CN1CCO[C@H](CCN)C1 97632103 NPDPYQLPPUMRJH-GFCCVEGCSA-N 252.362 0.843 0 50 CCAA C[C@@]1(O)CCCN(CCC(=O)N2CCOCC2)CC1 366339770 MCTOKRLRVVBBRV-CQSZACIVSA-N 270.373 0.472 0 50 CCAA COCC[C@@H]1CN(C(=O)c2cncc(O)c2)CCO1 584886457 VHQRBKKEKLKOSF-GFCCVEGCSA-N 266.297 0.665 0 50 CCAA COC(=O)N1CCN(Cc2nnc(C)s2)CC1 494379469 ABHOKHRWABVCAW-UHFFFAOYSA-N 256.331 0.731 0 50 CCAA C[C@@H](C(=O)N[C@@H]1[C@H]2CCC(F)(F)[C@H]21)c1nn[nH]n1 2325806808 HXICOGWZZRAXHA-XZBKPIIZSA-N 257.244 0.463 0 50 CCAA O=C1NCCCc2nc(N3CCOCC3)sc21 229444 DSKQFLOZHATJLF-UHFFFAOYSA-N 253.327 0.656 0 50 CCAA CCC[C@@]1(CO)CN(Cc2ncnn2CC)CC[C@@H]1O 2356167793 CCDDQKQBJGGAPB-JSGCOSHPSA-N 282.388 0.643 0 50 CCAA COCCCNC(=O)C(=O)NCc1cccc(OC)c1 2858897 HWVQSZSLJAJYLT-UHFFFAOYSA-N 280.324 0.464 0 50 CCAA CC(C)=C[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C(N)=O)C2)C1(C)C 222051951 ZVDRVZOVBAMGOI-UTUOFQBUSA-N 280.368 0.938 0 50 CCAA CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 226346311 HHQNELVLAASJEN-NXEZZACHSA-N 255.362 0.344 0 50 CCAA NC(=O)[C@H]1CCCN(CCCNC(=O)c2cc[nH]c2)C1 68333337 PPYQUYYXAALQNX-LBPRGKRZSA-N 278.356 0.332 0 50 CCAA O=C(c1cn[nH]c1)N1CCCC[C@@H]1CN1CCOCC1 110958277 KJZBIJDTSKEVID-CYBMUJFWSA-N 278.356 0.737 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)c1ccc(=O)[nH]c1 67724964 GTOFZHLPRJLSTF-NSHDSACASA-N 260.297 0.780 0 50 CCAA NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 141716413 AWCASWHSVVEIBD-UHFFFAOYSA-N 260.341 0.925 0 50 CCAA Cc1csc(CNC(=O)CSc2nncn2C)n1 171017453 BEDOGHRLIQKSKJ-UHFFFAOYSA-N 283.382 0.989 0 50 CCAA CNC(=O)[C@@H](C)n1cc(C(=O)OC)c2nnc(O)c-2c1 409415385 DSYBNUXRIOLFKW-ZCFIWIBFSA-N 278.268 0.182 0 50 CCAA C[C@H](N)c1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1 127383613 RJIATGDSRLTEKF-ZETCQYMHSA-N 282.329 0.031 0 50 CCAA CCC(=O)N1CC[C@H](C(=O)NS(=O)(=O)CC(C)C)C1 123416863 NFTFJLAUPBXXNS-JTQLQIEISA-N 290.385 0.347 0 50 CCAA CNC(=O)CNC(=O)c1ccc(-n2cncn2)cc1C 359087891 OFRZZBJJOGVGDW-UHFFFAOYSA-N 273.296 0.052 0 50 CCAA O=C(C1=C(O)CN(c2ccccc2)C1=O)N1CCOCC1 217438918 GXXJSZIKBPCURB-UHFFFAOYSA-N 288.303 0.704 0 50 CCAA Cn1cc(N2CCC[C@@H](NC(=O)c3ccnn3C)C2)cn1 154187716 KBVTWUZGIBWEBO-LLVKDONJSA-N 288.355 0.552 0 50 CCAA C[C@H]1CCN[C@H](C(=O)NCC(=O)N2CCCC2)C1 127640397 ZERQQIDYZQCLCP-QWRGUYRKSA-N 253.346 0.113 0 50 CCAA Cc1nc(C(=O)N(C)[C@@H]2CCCCNC2=O)c(=O)[nH]c1C 371401563 PVEIJBKUEOBHLW-SNVBAGLBSA-N 292.339 0.127 0 50 CCAA CCCCn1nc(C(=O)NCC2(CCO)CC2)ccc1=O 157550591 TUEQGZFQGPAPOX-UHFFFAOYSA-N 293.367 0.936 0 50 CCAA O=C(O)COc1cccc(CNC(=O)[C@@H]2COCCO2)c1 262431734 KDICJSJPUALYMB-LBPRGKRZSA-N 295.291 0.182 0 50 CCAA CNCC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@@H]1C 71777033 HZWLCIDPZDRJDC-NSHDSACASA-N 291.351 0.478 0 50 CCAA Cc1ccc(CCNC(=O)[C@@H](C)N2CCN(C)CC2)o1 426684453 MDCUYIRPNYZATL-CYBMUJFWSA-N 279.384 0.883 0 50 CCAA NC(=O)C[C@H]1COCCN1C(=O)c1onc2c1CCCC2 616150222 PSTCDLWYYXBHCZ-VIFPVBQESA-N 293.323 0.270 0 50 CCAA C[S@](=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)O)cc1 299751226 PZNQMZIUFBAXBM-GIPWTMENSA-N 297.332 0.350 0 50 CCAA O=C(CCC(=O)N1CCCCCC1)NCCn1cncn1 252489531 JSUFYQRSFNHUIA-UHFFFAOYSA-N 293.371 0.577 0 50 CCAA CCN1C[C@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](OC)C1 534648654 YNTWMVSIMULGPX-STQMWFEESA-N 280.372 0.404 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)CC2CCCC2)CN1 299769116 JEMFDUREDYNIGL-MNOVXSKESA-N 254.330 0.586 0 50 CCAA CC[C@H](NC(=O)CNC(N)=O)c1ccc(C)cn1 299775388 BXKYHXXPRRBUCD-VIFPVBQESA-N 250.302 0.626 0 50 CCAA CCOCCC(=O)N1CC[C@@H](N2CCN(C)CC2)C1 584901414 ZZDDJELVYSAVBO-CYBMUJFWSA-N 269.389 0.261 0 50 CCAA CCOCC(=O)N1CCC(CNC(=O)c2ccon2)CC1 823316681 OKEFOOPXGDJYRJ-UHFFFAOYSA-N 295.339 0.680 0 50 CCAA CCNc1nc(C)c(C(=O)NCc2nc(N)n[nH]2)s1 823193756 ANUAHYUPVQEIAC-UHFFFAOYSA-N 281.345 0.514 0 50 CCAA Cc1csc(CNC(=O)CCCn2cnnn2)n1 670452558 NNLBNISQVOBARX-UHFFFAOYSA-N 266.330 0.535 0 50 CCAA C[C@@H](NC(=O)c1cc(C(F)F)nn1C)c1ncnn1C 670466648 VLMWPGVSMUKWLM-ZCFIWIBFSA-N 284.270 0.977 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)N=c1cc[nH]cc1N(C)C 1548453716 RYHJIAUULNRCFW-DGCLKSJQSA-N 294.355 0.495 0 50 CCAA O=C(NCc1cccc(F)c1)N[C@@H]1CNCC[C@@H]1O 1565514318 CMKNWKPBHYRZFK-NEPJUHHUSA-N 267.304 0.348 0 50 CCAA COC(=O)[C@H]1CC(c2cc(OC)c(OC)nc2OC)=NO1 78494371 JZJKZZCXYFTQFD-SNVBAGLBSA-N 296.279 0.773 0 50 CCAA in-vitro C[C@@H](C(=O)O)N(C)C(=O)C1CCN(c2cnccn2)CC1 269094648 ZGDKJDKSNKKYJJ-JTQLQIEISA-N 292.339 0.625 0 50 CCAA C[C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H](C(=O)O)O1 630199000 FBJXAPFJWBOIQG-MWLCHTKSSA-N 293.323 0.534 0 50 CCAA CON1CCC(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 631753203 GWPLSJXKNMZTPF-KGLIPLIRSA-N 298.383 0.666 0 50 CCAA Cn1cc([C@H]2OCC[C@@H]2C(=O)N2CCCO2)cn1 276181939 HDFQJZWTDWOVJV-WDEREUQCSA-N 251.286 0.662 0 50 CCAA CC(C)[C@@H](N)C(=O)NCc1cc2c(nc1O)CCC2 645986667 BDWZNTFNJXQFKH-GFCCVEGCSA-N 263.341 0.875 0 50 CCAA CC(C)O[C@@H]1CCN(C(=O)c2ccc3c(c2)B(O)OC3)C1 585000248 HWSJDEPRPITSGV-CYBMUJFWSA-N 289.140 0.544 0 50 CCAA CCN1CC[C@@H](N2CCN(c3ccnc(C)n3)CC2)C1=O 660279691 IBYNCLBPAQIHKR-CYBMUJFWSA-N 289.383 0.528 0 50 CCAA Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)sn1 1875272114 HCWIZDFWGQHLQP-SSDOTTSWSA-N 256.283 0.377 0 50 CCAA CC(=O)N1CCN(c2ncccc2F)C[C@H](O)C1 1506399460 NXQUORYPLISYFW-SNVBAGLBSA-N 253.277 0.250 0 50 CCAA O=C(Cn1cncn1)Nc1cc(C(F)(F)F)[nH]n1 1262335772 MIFXDWSVXLGPST-UHFFFAOYSA-N 260.179 0.659 0 50 CCAA CCS(=O)(=O)CCNc1ncccc1C(=O)NC 1704338895 JRFNTJBKGZLXMZ-UHFFFAOYSA-N 271.342 0.288 0 50 CCAA CCS(=O)(=O)C1CN(C(=O)c2cn(C)nc2C2CC2)C1 333417818 IMXHZUIEHWEDNO-UHFFFAOYSA-N 297.380 0.557 0 50 CCAA OCC1(CO)[C@@H]2CN(CCCOc3ccccc3)C[C@H]21 1772809003 ILRRYCGRGCYRDX-HUUCEWRRSA-N 277.364 0.988 0 50 CCAA C[C@](NC(=O)C[C@@H]1CCCN1)(C(N)=O)c1ccccc1 154092395 FOUQGNOPKSPKBC-SWLSCSKDSA-N 275.352 0.645 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857673202 OZYVGBQNSMTPPL-UHFFFAOYSA-N 286.339 0.955 0 50 CCAA C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(C)CCS(C)(=O)=O 225419613 IPUFCLGOWWNPKD-VHSXEESVSA-N 275.370 0.495 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@@H]2OCC[C@@H]21 1875271854 CSZCSGHQNOUAGC-UWVGGRQHSA-N 261.281 0.673 0 50 CCAA CC1(C)CO[C@H]1COC(=O)[C@H]1CC(=O)N(C2CC2)C1 1875293044 AJCHFOUNPZZOBJ-ONGXEEELSA-N 267.325 0.966 0 50 CCAA COc1cnc(C(=O)N2CCC(CCN)CC2)nc1 1875315359 QRDCUWFQKHTBLO-UHFFFAOYSA-N 264.329 0.686 0 50 CCAA CCOC[C@H](O)CN1CCC[C@H]1c1noc(C)n1 257365445 SYQZLRZNDKUTAE-MNOVXSKESA-N 255.318 0.912 0 50 CCAA O=C(NCC1(C(=O)O)CCOCC1)c1cncc(F)c1 165217544 HSSAADVPIGAKKR-UHFFFAOYSA-N 282.271 0.832 0 50 CCAA CNc1cc(N2CCC[C@H](NS(C)(=O)=O)C2)ncn1 703132478 LFILNXDOAYXZDF-VIFPVBQESA-N 285.373 0.036 0 50 CCAA O[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1F 952966128 ICOLMRFMVRPIJO-GHMZBOCLSA-N 253.273 0.972 0 50 CCAA O=C(Nc1ccncc1F)N[C@H]1CCc2ncnn2C1 133353238 FGRJECQATMHHMI-QMMMGPOBSA-N 276.275 0.949 0 50 CCAA Cn1c(=O)c([C@@H]2OC(=O)c3ccccc32)c2n(c1=O)CCN2 398967 JVWAIXUOUUPOFI-LLVKDONJSA-N 299.286 0.232 0 50 CCAA Cc1cccn2c(CC(=O)N3C[C@H]4C(=O)OC[C@H]4C3)cnc12 2356169698 WIQLGIILQNILSK-DGCLKSJQSA-N 299.330 0.817 0 50 CCAA C[C@@H]1OCC[C@@]12CN(C(=O)c1coc(C(N)=O)c1)CCO2 279963027 KOOQICNJKICYDR-LKFCYVNXSA-N 294.307 0.399 0 50 CCAA CNC(=O)C(C)(C)CNc1nc(C)cc(OC)n1 227595110 OJVWCJRHKOXBSG-UHFFFAOYSA-N 252.318 0.978 0 50 CCAA Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@@H](F)C[C@H]1CO 347409558 NBLXDJAAEZBKBD-QWRGUYRKSA-N 298.314 0.184 0 50 CCAA CC(C)CN(CC(=O)O)C(=O)[C@H]1CCN(C)C(=O)C1 138145541 FVMFFQUODAKENM-JTQLQIEISA-N 270.329 0.424 0 50 CCAA COc1cc(C)sc1C(=O)N1CCNC(=O)[C@H]1CCO 215217468 GXRNDJUSVMCUKN-SECBINFHSA-N 298.364 0.388 0 50 CCAA COCCN(Cc1nccs1)C[C@@]1(O)CCNC1 72408930 PGRIIUWGLDRWCB-GFCCVEGCSA-N 271.386 0.316 0 50 CCAA CN(C)C(=O)NCC(=O)N[C@@H]1COc2ccccc2C1 216196171 ZJOGWDAFBBMTPM-NSHDSACASA-N 277.324 0.378 0 50 CCAA CCN(CCn1cccn1)C(=O)c1cc(CO)ccn1 215843668 ULJTVUDTTCTNSB-UHFFFAOYSA-N 274.324 0.933 0 50 CCAA COC[C@H](N)C(=O)Nc1ccc(C(N)=O)c(C)c1 262588883 VWZXPUPGQUVTPE-JTQLQIEISA-N 251.286 0.006 0 50 CCAA CCCc1nc(C)cc(N2CCN(C)[C@@H](C(=O)O)C2)n1 216451801 BBQPOPOBEAFIQH-LLVKDONJSA-N 278.356 0.943 0 50 CCAA C[C@@]1(C(=O)N2CCC[C@@]3(CCNC3)C2)CCNC1 335990100 HVIPSFAJILTYTG-KGLIPLIRSA-N 251.374 0.588 0 50 CCAA CCc1nnc(CN(C)C(=O)c2nc3ncccn3n2)o1 214993925 UOSUTBFJQMQLJK-UHFFFAOYSA-N 287.283 0.342 0 50 CCAA O=C([C@@H]1CNCCO1)N1CCNC[C@@H]1c1ccccc1 333480091 BIHNABZBCBFJHB-KGLIPLIRSA-N 275.352 0.148 0 50 CCAA COCCn1ccnc1CN1CC[C@@H](N(C)C)C1 214986951 NNOWOUOZWMNOFW-GFCCVEGCSA-N 252.362 0.665 0 50 CCAA Cc1cc(CC(=O)N2CCN(C3CCOCC3)CC2)on1 220746530 RNCXQEXHDOATPL-UHFFFAOYSA-N 293.367 0.849 0 50 CCAA CC[C@@H](NC(=O)CNC(=O)N(C)C)c1cnn(C)c1 221339568 BLDKVLXRRYUJIV-SNVBAGLBSA-N 267.333 0.259 0 50 CCAA CCNC(=O)c1ccc(N2C[C@H](F)C[C@H]2C(N)=O)nc1 284673544 XKUIBHNFSCAZEK-ZJUUUORDSA-N 280.303 0.233 0 50 CCAA Cc1cccnc1CCNC(=O)N(C)C[C@H]1COCCO1 426445155 SWYIAKRJSZJIOQ-ZDUSSCGKSA-N 293.367 0.989 0 50 CCAA C[C@@H](CCC(=O)NCCc1nnc(N)s1)N1CCCC1 426471020 YUMLJKKRJJQWRX-JTQLQIEISA-N 297.428 1.044 0 50 CCAA Cc1ccc(C(=O)NC2(C(=O)O)CCOCC2)c(=O)n1C 426593625 HHKARGADEWQWCR-UHFFFAOYSA-N 294.307 0.057 0 50 CCAA Cc1ccc([C@@H](C(=O)NCc2n[nH]c(N)n2)N(C)C)cc1 91663210 LTHJFPZZGVRPSS-LBPRGKRZSA-N 288.355 0.614 0 50 CCAA Cc1cnn(CCCNC(=O)CN2CC[C@H](N(C)C)C2)c1 230561191 AKNACYIFPTTZEL-AWEZNQCLSA-N 293.415 0.334 0 50 CCAA COc1ncc(C(=O)N2CCC3(CC2)COC(=O)O3)cn1 426419928 HIGFQXAPCNZUCC-UHFFFAOYSA-N 293.279 0.627 0 50 CCAA Cn1ccnc1-c1ccc(N2CC[C@](C)(O)[C@@H](O)C2)nn1 97604286 PVOFESBGTIZUBJ-FZMZJTMJSA-N 289.339 0.199 0 50 CCAA CNC(=O)[C@@H]1CCCCN1Cc1cnn(CCC(=O)O)c1 97463448 LOCNQJUHNSHVFR-LBPRGKRZSA-N 294.355 0.458 0 50 CCAA Cc1cc(C)nc(CNC(=O)C[C@H]2CN(C)CCN2C)n1 244601781 DRQCPLGZZALMFP-ZDUSSCGKSA-N 291.399 0.346 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C1 299738588 CMVRSGPUYMJGGH-RNJOBUHISA-N 268.357 0.520 0 50 CCAA CCN1CC[C@@H](N(C)C(=O)CNCCOC)[C@H](C)C1 299738572 CGTGPUFEEGDMNX-CHWSQXEVSA-N 271.405 0.411 0 50 CCAA CCOC(=O)[C@]12CNC(=O)[C@@H]1CN(Cc1ccccc1)C2 601014157 AEIQIDJIDDKKDS-BBRMVZONSA-N 288.347 0.798 0 50 CCAA CC(C)[C@@H](C(=O)NCCC(=O)O)N1C[C@@H](C)O[C@H](C)C1 299748608 HQZMNIJYSIZXDC-WZRBSPASSA-N 286.372 0.711 0 50 CCAA COCC1(CNC(=O)[C@H]2CCC(=O)NC(=O)N2)CCCC1 534589533 QEGLZACWTCXPGC-SNVBAGLBSA-N 297.355 0.298 0 50 CCAA Cc1noc(C)c1NC(=O)NCCN1CCNC1=O 299774259 BBIWJMGTDCJHCT-UHFFFAOYSA-N 267.289 0.438 0 50 CCAA CCCN1C[C@H](Nc2ncnc3[nH]cnc23)CC1=O 822919229 UJSKENDRKKBWAW-MRVPVSSYSA-N 260.301 0.776 0 50 CCAA COCc1cc(CNC(=O)[C@@H](C)Cn2cccn2)[nH]n1 824475098 FNIMSVRSVSRWEN-JTQLQIEISA-N 277.328 0.705 0 50 CCAA CCn1cc(CN2CC[C@]3(C2)CN(C)C(=O)CO3)cn1 670446945 JAJPSRLJZCZJOI-CQSZACIVSA-N 278.356 0.336 0 50 CCAA Cn1c(O)nnc1CCNC(=O)[C@H]1CCc2ccccc21 670458596 FVMGZOQWQAJXRL-LBPRGKRZSA-N 286.335 0.909 0 50 CCAA C[C@@H](CNC(=O)[C@H](O)C(C)(C)N)Oc1ccccc1 1875308439 GNLJTUBRDTZKBX-JQWIXIFHSA-N 266.341 0.668 0 50 CCAA CC(C)c1cc(C(=O)N2CCC[C@H]2C(=O)O)nc(N)n1 952992121 XAULXRJIFHHQPR-JTQLQIEISA-N 278.312 0.871 0 50 CCAA CCOC(=O)C(=O)Nc1ccc(C(=O)O)c(O)c1 71772575 VRSBHCZASAIZNM-UHFFFAOYSA-N 253.210 0.592 0 50 CCAA CCc1ncnc(N2CCN3C(=O)NC[C@H]3C2)c1F 301962684 NAQNJKPZDMKARV-QMMMGPOBSA-N 265.292 0.392 0 50 CCAA CN(Cc1nnnn1C)C(=O)[C@@]1(C)C[C@H]2CC[C@H]1O2 408324535 NKTDUBWMLTUCKB-LNLATYFQSA-N 265.317 0.126 0 50 CCAA NC(=O)C[C@@H]1CN(C(=O)c2ccc3ccncc3c2)CCO1 629404503 OPXQPZYBKPFBLC-CQSZACIVSA-N 299.330 0.951 0 50 CCAA O=C1C[C@@H](C(=O)N(C[C@@H]2CCCN2)C2CC2)CCN1 186536322 FYYUKUJTJWOOJQ-QWRGUYRKSA-N 265.357 0.256 0 50 CCAA CCN1CCCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1=O 190846055 PGGCCHHDRGQXCD-NWDGAFQWSA-N 268.357 0.882 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2cncc(C)c2)C1 644039704 NRKVCNJLWWXMLU-OAHLLOKOSA-N 291.351 0.493 0 50 CCAA Cn1cc(CCN2CCC[C@@H](n3cc(CN)nn3)C2)cn1 649420420 LJCQXVYCCNXHHR-CQSZACIVSA-N 289.387 0.350 0 50 CCAA CCCCCOCC(=O)N1CC2(CCOC(=O)N2)C1 585090552 KCAZAXZNDFCURQ-UHFFFAOYSA-N 270.329 0.904 0 50 CCAA CCOC(=O)CCCCn1nnc(CCC(=O)OC)n1 585118550 SZLIVVHKWDIIPH-UHFFFAOYSA-N 284.316 0.512 0 50 CCAA Cc1cc(C)cc([C@H](O)CN2CC[C@@H](S(N)(=O)=O)C2)c1 772228382 WOSJLLOMDHYZHK-ZIAGYGMSSA-N 298.408 0.700 0 50 CCAA CCc1cnc(CCNC(=O)[C@@H]2CNC(=O)O2)s1 1615557252 UDLNACRXIUMYIH-QMMMGPOBSA-N 269.326 0.473 0 50 CCAA COc1nn(C)cc1CNC(=O)[C@H]1C[C@@H]2[C@@H](N)C[C@H]2C1 1615554534 LQKZPMCYDJNMQJ-LSKIRQOJSA-N 278.356 0.418 0 50 CCAA O[C@H]1CN(Cc2cncnc2)C[C@@H]1Cc1cnccn1 1615953764 SUYVTJHVIISQOV-JSGCOSHPSA-N 271.324 0.302 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1 120093 NWFUAKYTTIZZAB-UHFFFAOYSA-N 283.353 0.189 0 50 CCAA Cn1cncc1CN1CCC[C@@H](CS(C)(=O)=O)C1 215127097 HGAMUXDDAKJTPH-LLVKDONJSA-N 271.386 0.677 0 50 CCAA COCCN1CC[C@H](CN(C)c2nc(C(=O)O)co2)C1 1529090291 FYTZYABPMWLVNZ-SNVBAGLBSA-N 283.328 0.777 0 50 CCAA Cc1cc(C)n(CCN(C)c2n[nH]c(=N)s2)n1 1857670963 KBNHXCFFJBGNSE-UHFFFAOYSA-N 252.347 0.900 0 50 CCAA Cc1cc(N2C[C@H](CO)[C@@H](CO)C2)n2nc(C)cc2n1 215052691 OTMRFJYLHYMYAV-VXGBXAGGSA-N 276.340 0.383 0 50 CCAA COc1cc(C)nc(N2CCS(=O)(=O)C[C@@H](C)C2)n1 408397808 UYDUFPAJFRGGFG-VIFPVBQESA-N 285.369 0.665 0 50 CCAA Cn1c(=O)[nH]c(=O)c2c1nc1n2CCN1c1cccc(O)c1 12422033 OEJIZXKHCVFQLT-UHFFFAOYSA-N 299.290 0.281 0 50 CCAA CC1(C(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)COC1 1857690308 GDWVYPCFFTVJDH-ZDUSSCGKSA-N 288.347 0.593 0 50 CCAA Cn1cc([C@@H]2CN(CC(F)(F)F)C[C@H]2CO)cn1 225535465 ROCCKDZQRGQQOI-UWVGGRQHSA-N 263.263 0.990 0 50 CCAA NC(=O)[C@@H]1COCCN1c1ccc(C(F)(F)F)nn1 225563271 NASQANNGPLXSBL-LURJTMIESA-N 276.218 0.186 0 50 CCAA CCC[C@@H](O)[C@H](CO)NC(=O)c1ccc(C(N)=O)cc1 424062996 WQMMKFXCOLSWJA-NWDGAFQWSA-N 280.324 0.037 0 50 CCAA Cn1cnc2c(c1=O)CCN(C(=O)COc1ccccc1)C2 328627566 MXLZWAOKLQHMEL-UHFFFAOYSA-N 299.330 0.744 0 50 CCAA C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ncc[nH]1 632331228 IEAFEKIZDCVSAW-GHMZBOCLSA-N 284.385 0.657 0 50 CCAA CCCNC(=O)Cc1noc([C@H]2CCCc3nn[nH]c32)n1 952894724 PRWBSCOLOWMEIH-QMMMGPOBSA-N 290.327 0.725 0 50 CCAA CCO[C@H]1C[C@](O)(CNC(=O)/C=C/CN(C)C)C1(C)C 1875376092 ZJZZZOUZQWYZGZ-AVDDZBROSA-N 284.400 0.787 0 50 CCAA CN(C)C/C=C/C(=O)NCc1cc2c(cn1)OCCO2 1875376580 BMRIEDKDRXLTPO-ONEGZZNKSA-N 277.324 0.587 0 50 CCAA Cn1ncc(CNC(=O)c2cnncc2O)c1C(F)F 1875396360 CUGZOYUNJBKJOP-UHFFFAOYSA-N 283.238 0.783 0 50 CCAA O=C(NCCn1cnc2ccccc21)C1OCCO1 1875311914 OWWWEGYZGWRBBA-UHFFFAOYSA-N 261.281 0.525 0 50 CCAA CO[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1c1cn(C)nn1 888078043 GDFTVQMNFQSWTA-CMPLNLGQSA-N 289.339 0.706 0 50 CCAA CCC1(O)CN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 283717309 MWHDHNPISJDJGB-UHFFFAOYSA-N 288.303 0.266 0 50 CCAA O=C(CCCc1cccs1)N[C@H]1CNCC[C@H]1O 534668516 SGLPUXWQWOTYHZ-NWDGAFQWSA-N 268.382 0.910 0 50 CCAA CCOc1cccc(CC(=O)N2CC[C@@](O)(C(N)=O)C2)c1 2325720873 GZXNTWLGDYYJHT-HNNXBMFYSA-N 292.335 0.077 0 50 CCAA O=C(CCc1n[nH]c2c1CCCC2)N[C@H]1CCCNC1=O 2325769877 FZIWMJSPONATLL-ZDUSSCGKSA-N 290.367 0.616 0 50 CCAA C[C@@H](NC(=O)c1n[nH]c2c1CCNC2)c1ccnc(O)c1 2325869562 UEFYOXRVEMOEJR-MRVPVSSYSA-N 287.323 0.647 0 50 CCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)c(F)c1 1926576 FKIOCWZSJAWPHJ-GFCCVEGCSA-N 296.298 0.609 0 50 CCAA CCc1ccccc1NC(=O)C[C@H]1NCCNC1=O 4537524 RMQFTRVOJLPICI-GFCCVEGCSA-N 261.325 0.666 0 50 CCAA CCN(C)C(=O)CCN1C[C@@H](OC)C[C@H]1COC 344384464 OKXCWPGSTKWISM-RYUDHWBXSA-N 258.362 0.591 0 50 CCAA COc1cccc(N([C@H](C)C(=O)O)S(C)(=O)=O)c1 20130881 ZVPWLNWYDDXLQR-MRVPVSSYSA-N 273.310 0.934 0 50 CCAA C[C@H](CS(C)(=O)=O)NC(=O)[C@H]1[C@@H](C)C1(F)F 408232082 RFXBIEHTHGJTJK-FSDSQADBSA-N 255.286 0.437 0 50 CCAA C[C@@H](N)[C@@H]1CN(C(=O)CCC(F)(F)F)CCO1 122902338 DFQZXDHFNVZNGV-SFYZADRCSA-N 254.252 0.904 0 50 CCAA CCn1nncc1C(=O)N1CCO[C@H](Cn2cccn2)C1 328885115 NERRNFWYFQNJIK-NSHDSACASA-N 290.327 0.036 0 50 CCAA Cc1cnc(N2CC[C@H](n3cc(C(=O)O)nn3)C2)nc1 519595807 AQNFIHQKVSKOBH-VIFPVBQESA-N 274.284 0.526 0 50 CCAA C[C@H]1c2nncn2CCN1Cc1cnc2cnccn12 330159369 QVFNRNQUBKMVKQ-JTQLQIEISA-N 269.312 0.898 0 50 CCAA CCN1CCOC[C@@H]1C(=O)NCCc1ccco1 330661125 OJXFICMNJNUPGU-GFCCVEGCSA-N 252.314 0.659 0 50 CCAA CC(C)[C@H](NC(=O)c1ccc2c(c1)nnn2C)C(=O)O 236773670 ICDZCHACQFVVEV-NSHDSACASA-N 276.296 0.807 0 50 CCAA Cc1nc(C(=O)N2CCO[C@]3(CCCOC3)C2)c[nH]1 286137408 ZDULXUHMYMZAPR-CYBMUJFWSA-N 265.313 0.740 0 50 CCAA CC[C@H]1C(=O)NCCN1C(=O)NCc1ncccc1C 426634307 PIGVQEPVEHWGHN-LBPRGKRZSA-N 276.340 0.810 0 50 CCAA O=C(O)[C@H]1CN(Cc2ccccc2)CCN(C(=O)CO)C1 97446881 VUNOQUSJILLQPV-ZDUSSCGKSA-N 292.335 0.024 0 50 CCAA CC(C)C(=O)NCCN1CCN(c2ncccn2)CC1 91393922 CDVGAKSOLJVUMR-UHFFFAOYSA-N 277.372 0.371 0 50 CCAA Cc1nnc(CN2CCC3(CC2)C(=O)NCCCN3C)o1 244794754 QSXCBUQAYROTBU-UHFFFAOYSA-N 293.371 0.164 0 50 CCAA Cc1cc(=O)c(OCC(=O)Nc2cc[nH]n2)cn1C 524733546 VMEMWNZNYVKNPF-UHFFFAOYSA-N 262.269 0.434 0 50 CCAA CC[C@H](C)NC(=O)CN1Cc2cnn(CCO)c2C1 299787984 ZODKQRHHOYFKBZ-JTQLQIEISA-N 266.345 0.106 0 50 CCAA CN(CC(=O)Nc1cnccn1)C[C@@H]1CCOC1 659987136 GFOKDZSECMXQLR-JTQLQIEISA-N 250.302 0.383 0 50 CCAA CC(C)(C)c1noc(CNC(=O)N2CCC[C@H]2C(N)=O)n1 584896369 ZIJGRQGTEAZIDF-QMMMGPOBSA-N 295.343 0.526 0 50 CCAA COC[C@H]1CCCN1S(=O)(=O)NC(C)(C)CN(C)C 824371051 PKHBWVNHYXDEQF-LLVKDONJSA-N 293.433 0.272 0 50 CCAA CN1CCN(C)[C@H](Cn2cnc3cccnc3c2=O)C1 584893298 RXZSFXPHPWJIJW-NSHDSACASA-N 273.340 0.037 0 50 CCAA CN(C)C[C@@H](O)CNc1cncc(C(=O)N2CCCC2)n1 584887915 GLHIJSPYHCGWIP-NSHDSACASA-N 293.371 0.047 0 50 CCAA Cc1noc(CCC(=O)N2CCC[C@H](C)[C@H]2CN)n1 237692636 NDOOCKCAUVHJGN-GXSJLCMTSA-N 266.345 0.896 0 50 CCAA Nc1nc(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)cs1 1565511359 YEEGVCSSTBEHHQ-SFYZADRCSA-N 283.353 0.885 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1nccc(N)n1 277419894 UWBWATHHLQPUBF-VHSXEESVSA-N 264.329 0.880 0 50 CCAA CCc1nc(CN2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)n[nH]1 277648865 CULBNENGLNKHOX-RYUDHWBXSA-N 290.371 0.309 0 50 CCAA O=C(O)C(=O)NC[C@H](CO)Cc1ccccc1Cl 170596123 DCEHCHZMPQXPIE-MRVPVSSYSA-N 271.700 0.692 0 50 CCAA COc1ccccc1N1CCN(Cc2nnn(C)n2)CC1 170615435 NRPBCQIHKZKVRH-UHFFFAOYSA-N 288.355 0.541 0 50 CCAA CCOC1(C)CN(C(=O)CCn2cnccc2=O)C1 516716588 VDLQWVIVKHJEBL-UHFFFAOYSA-N 265.313 0.271 0 50 CCAA COc1ccc2ncc(C(=O)NC3CCOCC3)n2n1 666805910 GTXMYDGRGVFRTN-UHFFFAOYSA-N 276.296 0.647 0 50 CCAA C[C@H](c1ccccc1)[C@@H](O)CN[C@@H]1COC[C@@H]1O 634725641 ZIADWORZSUQZOE-ZZVYKPCYSA-N 251.326 0.500 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 188240787 GMFFTHARKRSYJM-OLZOCXBDSA-N 290.367 0.940 0 50 CCAA COC[C@@]1(C)CCN(C(=O)NCc2nc(N(C)C)n[nH]2)C1 637788959 IPVIDJZFIWZICW-ZDUSSCGKSA-N 296.375 0.439 0 50 CCAA Cc1coc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1C 585081788 BDODTCYAOOMAIX-SNVBAGLBSA-N 286.353 0.660 0 50 CCAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC[C@]1(CO)COCCN1 585128599 HGVNLIMWLZSYHS-ABHRYQDASA-N 282.384 0.280 0 50 CCAA CON(C)C(=O)CCn1cnc2sccc2c1=O 198527226 WGDIAZBCAHLLJZ-UHFFFAOYSA-N 267.310 0.868 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC(CO)(OC)CC1 907789625 IPIUGZZJVGYKAK-UHFFFAOYSA-N 284.356 0.021 0 50 CCAA NC(=O)c1noc(CN(CCO)Cc2cccs2)n1 1506410279 JXGLBKKYNLDFGQ-UHFFFAOYSA-N 282.325 0.225 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@@H]1CCNC1 110797535 DUMLCSFJPSBVLL-NSHDSACASA-N 286.401 0.315 0 50 CCAA O[C@@H]1CCCN(c2ccnc(N3CCSCC3)n2)C1 1529101353 FSBHBXFXCXEAMM-LLVKDONJSA-N 280.397 0.991 0 50 CCAA CC[C@@H](N)C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 648173823 TXZNJXHMDBTEBA-IVZWLZJFSA-N 268.317 0.404 0 50 CCAA CC(C)N1C[C@@H](NS(=O)(=O)C[C@H]2CCOC2)[C@H](C)C1 246907069 HZVFQAKSKXOIBO-FRRDWIJNSA-N 290.429 0.671 0 50 CCAA CCN1CC[C@H](N(C)CCn2cncn2)[C@@H](C)C1 229859189 VINIXQAKHNTVQY-STQMWFEESA-N 251.378 0.940 0 50 CCAA CCO[C@H]1C[C@@H]1C(=O)NCc1nncn1C(C)C 264716121 BBCXEDZLRSFGRX-UWVGGRQHSA-N 252.318 0.900 0 50 CCAA CC(C)(C)OC(=O)N1CCN(CC(=O)O)C(=O)C1 12648852 QHPTYSXSHRLTHM-UHFFFAOYSA-N 258.274 0.150 0 50 CCAA Cc1cc(NC(=O)CN2CCC[C@@H](C)[C@H]2C(=O)O)n(C)n1 424265850 IMQYYCGBHPIRME-RNCFNFMXSA-N 294.355 0.852 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(CCc2ccncc2)C1 643814196 PZBWUFKDNJGCFD-HNNXBMFYSA-N 277.368 0.587 0 50 CCAA O=C(COc1cccc(F)c1)N1CC[C@H](CO)[C@H](O)C1 547402690 KDUNQVQYEUWAPY-ZWNOBZJWSA-N 283.299 0.406 0 50 CCAA CCCn1cc(NC(=O)N2CCCN(C)C(=O)C2)cn1 252550885 SZSDYMZAQWIJMM-UHFFFAOYSA-N 279.344 0.989 0 50 CCAA CCN1C[C@H](NC(=O)CSCC(N)=O)C(C)(C)C1 952877596 SIABNHFAOYZHJR-VIFPVBQESA-N 273.402 0.051 0 50 CCAA C[C@@H](O)CNS(=O)(=O)c1ccc2scnc2c1 952964870 XTKOEVRXGGVRBW-SSDOTTSWSA-N 272.351 0.955 0 50 CCAA CCc1nsc(N2CCO[C@H](CN3CCOCC3)C2)n1 952992969 LRERHZDSOJFJQG-LLVKDONJSA-N 298.412 0.638 0 50 CCAA COc1cccc([C@@H](NC(=O)CCC(=O)O)C(=O)O)c1 1875378670 AJJXTLCYXFHHTQ-GFCCVEGCSA-N 281.264 0.802 0 50 CCAA CCC[C@](C)(O)C(=O)N1CC(c2cc(CO)on2)C1 886084736 DBJVFRHJEOQUAV-ZDUSSCGKSA-N 268.313 0.644 0 50 CCAA CO[C@H]1CCCCN(CC(=O)Nc2ccnnc2C)C1=O 886088402 GKZYYETVEVDGON-LBPRGKRZSA-N 292.339 0.751 0 50 CCAA Cn1nccc1CCC(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 888079332 XHTPREYHUVAWJK-OUCADQQQSA-N 289.339 0.040 0 50 CCAA CC(=O)NC[C@@H]1CN(Cc2ccncc2)CCCO1 888103458 IMKDFQVXLIHULP-CQSZACIVSA-N 263.341 0.809 0 50 CCAA CC[C@H](N)CNC(=O)NC[C@H]1Cc2ccccc2CN1 892143867 GRAJJWHYYOYMHO-UONOGXRCSA-N 276.384 0.737 0 50 CCAA CN(C)S(=O)(=NC(=O)Cc1ccco1)N(C)C 1775997533 GDWACUKBUVKYLW-UHFFFAOYSA-N 259.331 0.770 0 50 CCAA CCC[C@@H](NC(=O)C1=C(C)C(C)(C)OC1=O)c1nn[nH]n1 1775986945 GYIPLHIRDAAFLL-MRVPVSSYSA-N 293.327 0.809 0 50 CCAA COc1ccc(CN2CCN(CCO)CC2)cc1OC 19606624 FIXSKIHQTRQRFR-UHFFFAOYSA-N 280.368 0.814 0 50 CCAA N=C(O)c1cccc(CN2CCS(=O)(=O)CC2)c1 330498422 BANNAOZRVYLVFI-UHFFFAOYSA-N 268.338 0.800 0 50 CCAA COc1ccccc1CNC(=O)C(=O)NC(C)C 2988739 HOMQEYAENDMCTG-UHFFFAOYSA-N 250.298 0.836 0 50 CCAA biogenic CN1C(=O)CC[C@H]1CNC(=O)c1n[nH]cc1-c1ccncc1 2325798132 PLEWFQUJVYKSJO-NSHDSACASA-N 299.334 0.822 0 50 CCAA O=C([C@@H]1CCC2(CCOCC2)NC1)N1CCN[C@H]2C[C@H]21 2325827582 KOMLKZGBSCAFMQ-FRRDWIJNSA-N 279.384 0.108 0 50 CCAA CN(c1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O 555188 SFABOLGREMTJLX-UHFFFAOYSA-N 298.364 0.555 0 50 CCAA CS(=O)(=O)Nc1ccc(C(=O)NC2CC2)cc1 1079125 ZZEHVKTVYVUALC-UHFFFAOYSA-N 254.311 0.950 0 50 CCAA O=C1NC[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]12 2356139703 IAVWKBWKASKXDF-NKWVEPMBSA-N 272.230 0.678 0 50 CCAA Cc1nc(N2C[C@@H](CO)OC[C@H]2C)ncc1C(=O)O 228342407 SBSQCEKGHYBPDQ-APPZFPTMSA-N 267.285 0.069 0 50 CCAA CC(C)c1cc(C(=O)N2CCOC[C@@H](CO)C2)no1 77540633 GREKIYJVMTXGJN-SNVBAGLBSA-N 268.313 0.879 0 50 CCAA Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@H]3O4)CCO2)n[nH]1 329739368 NINQYJXRJVYPSE-KKOKHZNYSA-N 292.339 0.581 0 50 CCAA OC[C@]1(O)CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1 72476015 ZBULSWXKMZOWEE-AWEZNQCLSA-N 277.324 0.989 0 50 CCAA COC[C@H](C)C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328626580 LWXMSSBHDPUVEM-WDEREUQCSA-N 266.345 0.507 0 50 CCAA CC(=O)N[C@H]1CCN(Cc2cnc(N(C)C)nc2)C1 216456355 OBENJBTWMHSJAV-LBPRGKRZSA-N 263.345 0.253 0 50 CCAA C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)C(=O)O 262540565 RIEFJSAQGWSNPH-YUMQZZPRSA-N 292.291 0.857 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)NCc1cccnc1N(C)C 262368379 VXLOJQHTKKVWEY-PWSUYJOCSA-N 278.356 0.141 0 50 CCAA CC(C)(CNC(=O)N1CCNC(=O)C1)C1CCC1 334107620 ZFTQSVIGBFHCTE-UHFFFAOYSA-N 253.346 0.954 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1ccnc(-n2ccnc2)c1 238086165 FENPAGGGXLRMJW-LLVKDONJSA-N 286.291 0.957 0 50 CCAA COc1ccc(C(=O)N[C@@H](C)C(=O)NCCF)c(O)c1 282307476 MPTDBJREWSGYCH-QMMMGPOBSA-N 284.287 0.605 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2ccc(Cl)cn2)C1 284628656 TXCAKKIRRNGZCR-IUCAKERBSA-N 255.705 0.814 0 50 CCAA O=C(Cn1nc2ccccc2n1)N1CCN(CC2CC2)CC1 220733268 VUTBVDJRAIOGTK-UHFFFAOYSA-N 299.378 0.986 0 50 CCAA O=C(Cn1ccnn1)N[C@H]1COC2(CCCCC2)C1 426412194 GZHJBCGCFYKQGQ-LLVKDONJSA-N 264.329 0.886 0 50 CCAA CN1CCN(CC(=O)N2CCCC[C@@]2(C)C(=O)O)C1=O 426388355 CTUYPUPENLRXKA-ZDUSSCGKSA-N 283.328 0.210 0 50 CCAA CN(C)CC(C)(C)CN=c1cc([C@@H]2CCOC2)nc(N)[nH]1 426394546 HZGWPRHMBVNUAC-LLVKDONJSA-N 293.415 0.984 0 50 CCAA NC(=O)C1(C(=O)N[C@@H]2CCOC[C@H]2OCC2CCC2)CC1 223387244 XEVWXHDVTJNCNE-VXGBXAGGSA-N 296.367 0.342 0 50 CCAA Cn1cc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)cn1 237756217 ZFWQALLBYXBIMC-LLVKDONJSA-N 281.312 0.516 0 50 CCAA Cc1nnnn1CCC(=O)N[C@H](C)c1nnc(C(C)C)o1 426728208 GXVOKAIEUHFHEI-MRVPVSSYSA-N 293.331 0.755 0 50 CCAA NC(=O)c1nc(CN2C(=O)CCc3ccccc32)no1 95509269 XSBQJACAACOJDL-UHFFFAOYSA-N 272.264 0.648 0 50 CCAA CCNC(=O)[C@@H]1CCN(Cc2cnn(CCC(=O)O)c2)C1 97772726 SXZFROIKVCRNIN-GFCCVEGCSA-N 294.355 0.316 0 50 CCAA Cc1nc(C)c(CC(=O)N2CCS(=O)(=O)CC2)s1 97772803 QHKNDOYYGPABQE-UHFFFAOYSA-N 288.394 0.559 0 50 CCAA Cc1ncnc(N2CCC[C@](O)(CN(C)C)C2)c1C 95375648 BMMDVSMWCYLUNT-AWEZNQCLSA-N 264.373 0.986 0 50 CCAA COC(=O)[C@H]1CCCCN1C(=O)c1cccc2ncnn12 346491968 RVKGTPQSUNEQDC-LLVKDONJSA-N 288.307 0.897 0 50 CCAA CCc1nnc2ccc(N3CCS(=O)(=O)[C@@H](C)C3)nn12 181152374 ZYILPRCENKRVOI-VIFPVBQESA-N 295.368 0.310 0 50 CCAA Cn1c(CO)nnc1[C@H]1C[C@H](Nc2ncccn2)C1 244773933 PIYULXAYHQFZGO-KYZUINATSA-N 260.301 0.456 0 50 CCAA Cc1ccc(NC(=O)CCN2CC[C@@](O)(CO)C2)cc1F 244633231 FZKGZUQGSBMOKR-HNNXBMFYSA-N 296.342 0.892 0 50 CCAA COC[C@H]1CN(C(=O)[C@H](N)c2ccccc2)CCO1 299753635 YVWYRRYUWIEELR-CHWSQXEVSA-N 264.325 0.560 0 50 CCAA CN(C)C[C@H]1CCN(S(=O)(=O)N2CCCCC2)C1 358505297 SGZRWYCTQYYYKH-GFCCVEGCSA-N 275.418 0.601 0 50 CCAA CC(=O)N[C@@H]1CC[C@H](C(=O)N2CCC(C)(C)C2)C[C@H]1O 1940196567 SQEKALAJTSCDCF-YNEHKIRRSA-N 282.384 0.911 0 50 CCAA Cc1cnccc1C(=O)N1CC[C@@H](CN(C)C)[C@H](O)C1 299776912 ICNAIAHKURCUID-GXTWGEPZSA-N 277.368 0.775 0 50 CCAA CC(C)C[C@H](O)c1nc(CC(N)=O)nn1-c1cccnc1 821004178 SNTLCOGFHMNUBK-NSHDSACASA-N 289.339 0.770 0 50 CCAA O=C1C[C@@H](NC(=O)CN2CCCC2=O)c2ccccc2N1 584904126 VYJLQVHYEJSYBV-GFCCVEGCSA-N 287.319 0.809 0 50 CCAA O=C(NCCN1CCCC[C@@H]1CO)c1ccc[nH]1 670441165 YYRFEBZUOFFZTP-LLVKDONJSA-N 251.330 0.591 0 50 CCAA Cc1ccoc1CC(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942110 NNIOWRZHXPAPLX-WCQYABFASA-N 291.307 0.816 0 50 CCAA O=C(c1ccc[nH]1)N1CCC[C@@H](Cc2nn[nH]n2)C1 1347305076 IXGZQSJBMAPRDJ-VIFPVBQESA-N 260.301 0.623 0 50 CCAA CCC(C)(CC)C(=O)NCc1nnc2n1CCN(C)C2=O 1548811412 XZWHWRALDYDSLY-UHFFFAOYSA-N 293.371 0.806 0 50 CCAA CO[C@H]1CCN(C(=O)c2cn(C(C)(C)C)nn2)C1 408328293 IYLGWRBZAPKDNF-VIFPVBQESA-N 252.318 0.894 0 50 CCAA CO[C@H]1CCC[C@H](CC(=O)N2CCS(=O)(=O)CC2)C1 408310420 RUYOPTCLJYGQRO-RYUDHWBXSA-N 289.397 0.839 0 50 CCAA COC[C@H]1[C@@H](NC(=O)CCN2CCCO2)[C@H]2CCO[C@H]21 1565506785 KLTBIVPIDYDYIO-UVLXDEKHSA-N 284.356 0.180 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)CN1CCCCCC1 1565525551 GDSVWOUSYWKRAH-STQMWFEESA-N 279.384 0.799 0 50 CCAA O=C(NC[C@@H](O)CN1CCOCC1)c1ccsc1 303047537 KMEKILVYKPMGKY-LLVKDONJSA-N 270.354 0.171 0 50 CCAA CO[C@](C)(C(=O)O)C(=O)NCc1c(C2CCC2)cnn1C 663134877 IAJXSCQFYYWZLC-AWEZNQCLSA-N 295.339 0.794 0 50 CCAA CCOCCC(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 276058079 TXYKPQAULMEXCE-CYBMUJFWSA-N 292.383 0.936 0 50 CCAA O=C(CNS(=O)(=O)N1CCCC1)OC1CCCCC1 170651557 HNXYCQCHXQMEMZ-UHFFFAOYSA-N 290.385 0.793 0 50 CCAA CN1C[C@H](NS(=O)(=O)N2CCCC2)Cc2ccccc21 641631084 YAEVONISZSTARV-CYBMUJFWSA-N 295.408 0.978 0 50 CCAA Cc1[nH]nc(C(=O)NCCc2nccs2)c1O 676696321 NAPRYDZQVLFAKT-UHFFFAOYSA-N 252.299 0.853 0 50 CCAA CC(C)(C)[C@@H]1CS(=O)(=O)CCN1C(=O)C(F)F 585124481 FHIKSYDGCDMUNL-ZETCQYMHSA-N 269.313 0.923 0 50 CCAA CCO[C@H]1CN(C(=O)CCc2ccncc2)C[C@H]1CO 585113764 GSTHHOBDBDXKMN-KBPBESRZSA-N 278.352 0.870 0 50 CCAA CN(C)CC1(O)CCN(C(=O)C2(N)CCCC2)CC1 710664044 JOPZNWQMIQTFBG-UHFFFAOYSA-N 269.389 0.173 0 50 CCAA CCOC[C@H](O)Cn1cnc2cccc(F)c2c1=O 193813665 MOLMSYRTHIYQCZ-SECBINFHSA-N 266.272 0.933 0 50 CCAA O=C(O)c1cn([C@H]2CCN(c3cnccn3)C2)nn1 568383255 VIYBDBNFTCUAHJ-QMMMGPOBSA-N 260.257 0.218 0 50 CCAA CCc1nc(CN(C)C2CCS(=O)(=O)CC2)no1 1506406903 RYRYOLVRJYADDA-UHFFFAOYSA-N 273.358 0.641 0 50 CCAA N=c1[nH]nc(N2CCO[C@H](C(F)(F)F)C2)s1 1857675966 IUVKMDWEJQTPMY-BYPYZUCNSA-N 254.237 0.718 0 50 CCAA COc1cc(NC(=O)CC2CNC2)cc(-n2cnnn2)c1 1506422521 BZLRBIGSWGFGJM-UHFFFAOYSA-N 288.311 0.219 0 50 CCAA CN(C)CCCN1CCN(CCc2nccn2C)CC1 1506416537 CBFATBCBLWZYKG-UHFFFAOYSA-N 279.432 0.532 0 50 CCAA Cc1cc(N2CCN(c3nc(C)nn3C)CC2)nc(N)n1 1529101795 MRPPDDMTTKHZFX-UHFFFAOYSA-N 288.359 0.131 0 50 CCAA CC(C)CN1CCCN(CCS(C)(=O)=O)CC1 1529173660 NUMREXWLDXGMAX-UHFFFAOYSA-N 262.419 0.695 0 50 CCAA CCCCNCC(=O)Nc1ccc(S(N)(=O)=O)cc1 3426963 RSJVJFMYAFZYGN-UHFFFAOYSA-N 285.369 0.662 0 50 CCAA in-vitro CCc1nc(CN(C)C[C@@H]2CCC(=O)N(C)C2)no1 1775978891 XIMBICNZZJGUFJ-JTQLQIEISA-N 266.345 0.932 0 50 CCAA CC(C)N1C[C@@H](CN2CCNC(=O)CC2)CCC1=O 1772808264 KQCKBEBJGHBBGP-GFCCVEGCSA-N 267.373 0.455 0 50 CCAA CCN1CCn2c(Cn3nc(C)c(C)c3C)nnc2C1=O 1772807945 DAEYZVYOGXUFML-UHFFFAOYSA-N 288.355 0.924 0 50 CCAA CC[C@]12COC(=O)N1CCN(C(=O)c1cn(C)cn1)C2 1857671053 NLIPHYPIOPOQFJ-ZDUSSCGKSA-N 278.312 0.477 0 50 CCAA C[C@H](CN(C)c1n[nH]c(=N)s1)N1CCOCC1 1857671822 RTBZNIOZYDYXBX-MRVPVSSYSA-N 257.363 0.108 0 50 CCAA O=C(NC1CNC1)c1cccc(Cn2cccn2)c1 1857707257 KLQWWXLXNHPNJC-UHFFFAOYSA-N 256.309 0.633 0 50 CCAA C[C@H]1CN2C[C@H](NC(=O)c3ccno3)C[C@H]2CO1 1857726257 ZKJTYYMQOYOXBN-AEJSXWLSSA-N 251.286 0.266 0 50 CCAA CCN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1OC 13581093 MFCIBPXHWWZKKQ-UHFFFAOYSA-N 290.316 0.330 0 50 CCAA CN(C)C(=O)NC(NC(=O)N(C)C)C(=O)c1ccccc1 15769856 YKTWWDAZOISFPV-UHFFFAOYSA-N 292.339 0.738 0 50 CCAA CCOC(Cc1c(N)[nH]c(=S)[nH]c1=O)OCC 17316301 GKSGXTLNGDMLRR-UHFFFAOYSA-N 259.331 0.956 0 50 CCAA in-vitro Cc1ccncc1N1CCN(C(=O)[C@@H](C)NC(=N)O)CC1 330418855 WTDOZSLYXWLUIM-LLVKDONJSA-N 291.355 0.509 0 50 CCAA Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CNCCO2)CCO1 237686360 VHWDJHYNMHDKPV-HUUCEWRRSA-N 290.363 0.883 0 50 CCAA Cc1cc(C(=O)N2C[C@H](O)C[C@H]2CO)c2n[nH]cc2c1 359531211 KODMTWJGALAILA-WDEREUQCSA-N 275.308 0.439 0 50 CCAA Cc1ccccc1CNC(=O)CN1CC[C@H](CO)[C@@H](O)C1 572674171 ZWPVLKWMHIIVPU-CABCVRRESA-N 292.379 0.286 0 50 CCAA O=C(c1cccc2c1OCCO2)N1CC[C@H](CO)[C@H](O)C1 580390344 JRTHGOZQZNMBBA-ZYHUDNBSSA-N 293.319 0.273 0 50 CCAA CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCc2c(O)cccc21 900699526 LWXRCHAGEWPLFY-ZXIHIIQKSA-N 290.363 0.951 0 50 CCAA C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 820709673 KXNIXEXHLAQGLI-MRVPVSSYSA-N 258.285 0.886 0 50 CCAA C[C@@H]1CS(=O)(=O)CCN1Cc1c(F)cncc1F 929693305 PQJCTXSBKGXGNB-MRVPVSSYSA-N 276.308 0.979 0 50 CCAA Cn1ccc(C2CCN(C(=O)C3=NNC(=O)C3)CC2)n1 1875271109 KSFKUPMTBYIIMJ-UHFFFAOYSA-N 275.312 0.002 0 50 CCAA CCc1nc([C@@H]2COC[C@@H]2N=c2[nH]ccn3ccnc23)n[nH]1 1875399535 ZRDYAEVAKIFHRH-ZJUUUORDSA-N 299.338 0.426 0 50 CCAA CCN1CC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(C)=O)C1 1875341107 GNHJRSWYDZIZIG-OLZOCXBDSA-N 267.373 0.550 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N=c2cc[nH]c(C)c2)C1=O 886091378 YSORCHNVOFNUQO-CYBMUJFWSA-N 291.351 0.778 0 50 CCAA CCc1ccccc1-n1cc(C(=O)NOC[C@H](C)O)nn1 1775999987 MUKTWJOBZBMTDH-JTQLQIEISA-N 290.323 0.872 0 50 CCAA O=C(O)CCCNC(=O)NC[C@H]1CCCC[C@@H]1O 263476717 MTJBLYMDZQGZBP-ZJUUUORDSA-N 258.318 0.702 0 50 CCAA CC[C@@H]1C(=O)NCCN1c1nc(N)nc(C(C)(C)C)n1 312391688 ORBNWBKJAHXFCN-MRVPVSSYSA-N 278.360 0.466 0 50 CCAA Cc1c(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)cnn1C 426581027 SQJQMHDOEFBEGU-JTQLQIEISA-N 274.328 0.866 0 50 CCAA Cc1nc(CN2CCN(CC(=O)O)C(=O)C2)sc1C 534629947 UVQCIERUNJJQRX-UHFFFAOYSA-N 283.353 0.489 0 50 CCAA Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H](O)C(C)(C)C1 388012136 HIUWSGVPWHLCDJ-MRVPVSSYSA-N 293.776 0.465 0 50 CCAA CNC(=O)[C@@H]1CCCN(C(=O)[C@H](N)C(C)(C)C)C1 227803427 HHQNELVLAASJEN-ZJUUUORDSA-N 255.362 0.344 0 50 CCAA O=C(O)C[C@H]1NC(=S)N(Cc2ccccc2)C1=O 34235 AMROWGDRHJNHAR-SECBINFHSA-N 264.306 0.747 0 50 CCAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2cnc[nH]2)C1 2356143310 CHNYRFQDJLUGHV-OAHLLOKOSA-N 298.350 0.732 0 50 CCAA O=C(O)C1CN(S(=O)(=O)c2ccc(F)cc2)C1 4110350 DIIBCOXATOTZJN-UHFFFAOYSA-N 259.258 0.531 0 50 CCAA Cc1ccc(NC(=O)C[C@H]2NCCNC2=O)c(C)c1 4357165 OBMGXFWGABZVEW-GFCCVEGCSA-N 261.325 0.720 0 50 CCAA COC[C@H](C)S(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1C 246649795 FPSBMJJULBBPPA-WOPDTQHZSA-N 276.402 0.520 0 50 CCAA CN1CC[C@H](Nc2cccc(NS(C)(=O)=O)c2)C1=O 116386678 ZFDQAAXEODDKDN-NSHDSACASA-N 283.353 0.701 0 50 CCAA C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cc(C(=O)O)nn1C 600867111 RJXIFUIPGGGCBY-UWCLWIGYSA-N 299.352 0.100 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@H](n2cc(COC)nn2)CN1 67678172 XJOPUVFQFKOECZ-RYUDHWBXSA-N 281.360 0.196 0 50 CCAA CC(C)c1cncnc1N1CCN[C@H](C(=O)O)C1 71747038 VSWCWXMXALGNFU-JTQLQIEISA-N 250.302 0.463 0 50 CCAA NC(=O)c1noc([C@@H]2CCCN2CCOCC2CC2)n1 328655816 YTGYIWXLGDTZIJ-JTQLQIEISA-N 280.328 0.732 0 50 CCAA CC[C@]1(C(=O)O)CCCN(C(=O)Cn2nc(C)cc2N)C1 216223928 JTJQADJPMZSTFB-AWEZNQCLSA-N 294.355 0.877 0 50 CCAA CC1(C)CN(C(=O)c2cnn[nH]2)C[C@@]2(CCOC2)O1 330066225 SQUSOGDWQFZNFT-GFCCVEGCSA-N 266.301 0.215 0 50 CCAA CC(=O)NCC(=O)N[C@@H](Cn1cccn1)c1ccccc1 78143058 SHAUEPPFLXIZOZ-AWEZNQCLSA-N 286.335 0.877 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCCCc1cccnc1 219476114 DSBNEFBOVYUNAS-JTQLQIEISA-N 265.313 0.875 0 50 CCAA COC(=O)/C(C(N)=O)=C(/C=C/N(C)C)c1ccncc1 72406669 AQWBRKGEGIRPRG-SUNUYMGGSA-N 275.308 0.569 0 50 CCAA Cn1cc(-c2nn(C)cc2C(=O)N=c2cc[nH]cc2)cn1 370411220 WWUUOPQXMOFWBK-UHFFFAOYSA-N 282.307 0.890 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)[C@H]1CCCCO1 128262944 QIFVNFMVKSQTNF-VHSXEESVSA-N 257.286 0.258 0 50 CCAA O[C@H](COC1CCOCC1)CN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 333772364 YEIOKDPUBIKCQJ-AFHWFKKNSA-N 297.395 0.652 0 50 CCAA Cc1nc(CNC(=O)N2C[C@H](C)O[C@H](C)C2)no1 173551898 IICRMEQSPCJIPO-OCAPTIKFSA-N 254.290 0.697 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccncc2F)C1 284739064 FADZSTSPKUGITP-DTWKUNHWSA-N 254.261 0.443 0 50 CCAA Cc1nnc(NC(=O)CSc2cn[nH]n2)s1 223244873 QIPFLTXWRSBWRE-UHFFFAOYSA-N 256.316 0.695 0 50 CCAA C[C@H](C(=O)NCCc1nc(O)n[nH]1)n1cc(Cl)cn1 426534518 VIYTXSVBGGNDTB-ZCFIWIBFSA-N 284.707 0.280 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)CCc3cncnc3)[C@@H]2C1 292568388 XSYVPHCYJJTTIZ-KGLIPLIRSA-N 290.367 0.341 0 50 CCAA COCc1cc(Cn2cc(-c3cncnc3)nn2)n[nH]1 95355919 RRPWIAQSULQTAI-UHFFFAOYSA-N 271.284 0.653 0 50 CCAA Cc1ccc(=NCCCNC(=O)CCS(C)(=O)=O)[nH]c1 605890813 AHOQNEBHQQKXSK-UHFFFAOYSA-N 299.396 0.165 0 50 CCAA Cn1c(CN2CCC[C@H]3C(=O)NC[C@H]32)nnc1C1CCC1 299741193 DNBPZYNOVRNZIP-VXGBXAGGSA-N 289.383 0.793 0 50 CCAA CC[C@H](C(=O)NCc1nc(C2CC2)no1)N1CCOCC1 534586776 FNSWHNZHINHHKB-LLVKDONJSA-N 294.355 0.674 0 50 CCAA Cc1cccc(CCNC(=O)[C@H](C)N2CCN(C)CC2)n1 280076992 PZXQBEOMJGMDCW-AWEZNQCLSA-N 290.411 0.685 0 50 CCAA O=C1N[C@@H](CC2CCCCC2)C(=O)N2C[C@H](O)C[C@@H]12 828896175 GLZLNBDDHUWKGQ-WOPDTQHZSA-N 266.341 0.417 0 50 CCAA Cc1nc(N)nc(C)c1CC(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1074591919 OHGUYIYUDLQFCB-MVWJERBFSA-N 276.340 0.512 0 50 CCAA OC[C@H](O)CNC1CCN(C2CCCCC2)CC1 408409100 SZEVUBPTGZLERW-CQSZACIVSA-N 256.390 0.726 0 50 CCAA Cc1cc(N2CCN(C(=O)[C@@H](N)C(C)C)CC2)nc(C)n1 166736269 GZUYMPLYQXEODP-AWEZNQCLSA-N 291.399 0.725 0 50 CCAA O=C([C@@H](O)[C@H](O)c1nc2ccccc2[nH]1)N1CCCC1 275273901 KFOSETBPWJLLKE-RYUDHWBXSA-N 275.308 0.580 0 50 CCAA Cc1cc(N2CC[C@H](N=c3ccc4nccn4[nH]3)C2)ncn1 548021609 QNUOTNFMMRMOQS-LBPRGKRZSA-N 295.350 0.940 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2c(C)noc2C)C1 644031078 WZPNTGAQOVRMNM-AWEZNQCLSA-N 295.339 0.395 0 50 CCAA Cc1ccn(C)c1C(=O)N1CC[C@@](O)(Cn2ccnn2)C1 671606047 SFQYZCRLJNTCEA-AWEZNQCLSA-N 289.339 0.202 0 50 CCAA NC(=O)NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 192128899 XPIDOGAFWRXWJX-PWSUYJOCSA-N 299.277 0.579 0 50 CCAA CN1CC[C@H](Nc2cccc([C@@H]3CNC(=O)C3)c2)C1=O 676410809 HDZLSDWSQVFYMC-AAEUAGOBSA-N 273.336 0.933 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2[nH]nnc2C)C1 583621151 GGTDNMBZGDWGKY-RYUDHWBXSA-N 293.371 0.438 0 50 CCAA CNc1nc(C)cc(C(=O)NCCc2cc[nH]n2)n1 714521547 MZYLTROIAYQGCZ-UHFFFAOYSA-N 260.301 0.522 0 50 CCAA CC(C)n1ccc(CNC(=O)[C@@H]2C[C@H](C)CC(=O)N2)n1 573940789 KBOHBFAKGPXJCK-JQWIXIFHSA-N 278.356 0.995 0 50 CCAA COc1ccc(C(=O)NCCN(C)C)cc1OC 432966 MCMBEUCJLGSNPH-UHFFFAOYSA-N 252.314 0.995 0 50 CCAA C[C@H]1CO[C@H](C)CN1S(=O)(=O)N1CCCC[C@@H]1CN 226733750 QSKUOZOORMNDGQ-QJPTWQEYSA-N 291.417 0.154 0 50 CCAA Cc1nonc1CC(=O)N[C@H]1CCOC[C@@H]1OCC1CC1 1565531428 RPKURHPUYLGROK-AAEUAGOBSA-N 295.339 0.621 0 50 CCAA O=S(=O)(CS(=O)(=O)C(F)(F)F)C(F)(F)F 5178909 QBOFWVRRMVGXIG-UHFFFAOYSA-N 280.167 0.813 0 50 CCAA Cc1nc(O)cc(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)n1 1857720447 VCTOKJGYERGWLD-KGYLQXTDSA-N 279.340 0.462 0 50 CCAA C[C@H]1CN2C[C@@H](NS(=O)(=O)c3ccccc3)C[C@H]2CO1 1857732391 OHKABDGAVIWHLZ-AVGNSLFASA-N 296.392 0.827 0 50 CCAA C[C@H]1CCN(C(=O)N2CC[C@H](n3cc(C(N)=O)nn3)C2)C1 643734095 VQDATWVEVKSUFJ-UWVGGRQHSA-N 292.343 0.086 0 50 CCAA Cc1cc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)[nH]n1 253479291 PQWUPTHDBGNVGM-ZJUUUORDSA-N 263.297 0.901 0 50 CCAA CC[C@H]1CN(C)CCN1C(=O)Cc1cnn(C)c1 585085997 SEELMMVRXFUCQY-LBPRGKRZSA-N 250.346 0.515 0 50 CCAA COC(=O)[C@H](N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 35630217 IOYJGIAHVAQCPO-DTWKUNHWSA-N 258.318 0.744 0 50 CCAA in-vitro Cn1c(=NC(=O)[C@@H](O)C(C)(C)O)sc2ccccc21 908280077 OEKDBOOJNATIRE-SNVBAGLBSA-N 280.349 0.799 0 50 CCAA CCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 10218974 DUZOGJCACHZFIC-UHFFFAOYSA-N 268.338 0.894 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1cnc(N(C)C)nc1 818629853 NDMXDOPCTMIZEC-CQSZACIVSA-N 294.355 0.608 0 50 CCAA Cc1cn(C)nc1NC(=O)N1CC(O)(C(F)(F)F)C1 952883623 OFZCQEPMUZEEON-UHFFFAOYSA-N 278.234 0.869 0 50 CCAA NC(=O)c1ccc(CC(=O)Nc2n[nH]cc2Cl)cn1 1875358872 MDIQMGBECYGKMV-UHFFFAOYSA-N 279.687 0.738 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@]12CCCCC(=O)N1CCC2 1875311660 JAQLFHWBWHEGIR-NFBGWVBBSA-N 294.351 0.767 0 50 CCAA Cn1ncc(Cn2cc([C@@H]3OCCC[C@H]3C(=O)O)cn2)n1 888076570 TXYYAGWZMKDWPB-NEPJUHHUSA-N 291.311 0.612 0 50 CCAA O=C1NCc2ccc(C(=O)NCCc3nc[nH]n3)cc2N1 1776003420 OKEVEKFLLRCACY-UHFFFAOYSA-N 286.295 0.412 0 50 CCAA COc1ccccc1OCCOCCNCCN 19772586 YMSZTBGHSOJNDD-UHFFFAOYSA-N 254.330 0.639 0 50 CCAA O=C(NC[C@H]1CCCNC1)c1cnc2sccn2c1=O 237998700 HDKNZVRPHCWNRE-VIFPVBQESA-N 292.364 0.485 0 50 CCAA COc1cccc(C(=O)N2CCC(O)(C(=O)O)CC2)c1 262549992 WUIXMRZRYWASIB-UHFFFAOYSA-N 279.292 0.747 0 50 CCAA CN1CCC(N2CCN(Cc3ncc[nH]3)CC2)CC1 97301413 UJYDASYYGWFSOU-UHFFFAOYSA-N 263.389 0.622 0 50 CCAA CN(C)c1nc(CNC(=O)[C@@H]2C=CCN2)cs1 534631085 HFWQDHDZEXKZJF-VIFPVBQESA-N 252.343 0.353 0 50 CCAA Cc1cc(C)cc(S(=O)(=O)N[C@H]2CCNC[C@@H]2O)c1 710396082 SRQJUTUNADMEDR-STQMWFEESA-N 284.381 0.305 0 50 CCAA C[C@H]1CCn2c(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cnc2C1 2325804985 HDOCBWWPISIXIZ-VHSXEESVSA-N 295.364 0.506 0 50 CCAA Cc1nc(NC(=O)Cn2ncc(=O)c3ccccc32)no1 2325818767 XOTUZVIOCFDYBG-UHFFFAOYSA-N 285.263 0.727 0 50 CCAA O=C(NCc1cccnc1O)c1nccc2n[nH]cc12 2325878728 ZRRBDQLMMWXEFI-UHFFFAOYSA-N 269.264 0.989 0 50 CCAA CC1=C(C(N)=O)[C@@H](c2ccccn2)N2N=CNC2=N1 71248 IYWZJDMCQAIMDW-SNVBAGLBSA-N 256.269 0.100 0 50 CCAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCCC1 110381 YXNUZBZHSRAJSF-UHFFFAOYSA-N 258.277 0.905 0 50 CCAA CNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 407677 SGAPKWUQOHKJAJ-UHFFFAOYSA-N 299.334 0.822 0 50 CCAA NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O 3872055 JBMKAUGHUNFTOL-UHFFFAOYSA-N 295.729 0.130 0 50 CCAA fda C[C@@]1(NC(=O)N2CCCCC2)CCS(=O)(=O)C1 4559415 UZVGYGQDEWSUJV-LLVKDONJSA-N 260.359 0.759 0 50 CCAA Cc1nn(C)c2nc(N3CCN(C)[C@@H](CO)C3)sc12 108415587 MDOSEUAOQKBUHF-SECBINFHSA-N 281.385 0.451 0 50 CCAA COC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 9058699 WAJQYHUMCFYKRI-UHFFFAOYSA-N 277.280 0.718 0 50 CCAA C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)c1ccccc1 67852366 CYKVKEHQLMTFQN-NSHDSACASA-N 284.381 0.672 0 50 CCAA C[C@H]1CCCN(C(=O)CCNCCCN2CCOCC2)C1 65393896 ZHROTJYSDKPBIB-HNNXBMFYSA-N 297.443 0.947 0 50 CCAA CO[C@@H]1CCN(C(=O)C(C)(C)S(=O)(=O)C2CC2)C1 328817037 OVPSEGDGEDJMGW-SECBINFHSA-N 275.370 0.590 0 50 CCAA CC1(C)N=C(O)N(Cc2noc(-c3cnccn3)n2)C1=O 329681308 WVOQXGLUQWXMHZ-UHFFFAOYSA-N 288.267 0.561 0 50 CCAA Cc1cncc(CN2CCC(S(N)(=O)=O)CC2)c1 331278613 SJBRQFXKGMHKEG-UHFFFAOYSA-N 269.370 0.643 0 50 CCAA C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H](C)N1 153941855 QIFVNBMZCLKRMP-GHMZBOCLSA-N 250.346 0.562 0 50 CCAA O=C(c1cn[nH]c1)N1CCC(O)(CN2CCCC2)CC1 214963575 INBGKYPJCKUASK-UHFFFAOYSA-N 278.356 0.473 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1cc(F)cc2[nH]cnc12 262143390 MGGPEXFZADPESN-SNVBAGLBSA-N 293.254 0.628 0 50 CCAA O[C@@]1(Cn2ccnn2)CCCN(CCn2cccn2)C1 284472356 DRVRYOMOYAJSNJ-ZDUSSCGKSA-N 276.344 0.002 0 50 CCAA COC(=O)[C@@H]1CCN(C(=O)N2CCSCC2)C1 334300591 UXYDJAQNPQGVBQ-SECBINFHSA-N 258.343 0.650 0 50 CCAA CC(=O)N1CC(NC(=O)c2ccc(S(C)(=O)=O)cc2)C1 173038817 WYGJKWYVIKAUEQ-UHFFFAOYSA-N 296.348 0.051 0 50 CCAA CO[C@@]1(CN2CCN(C)[C@H](c3nc(C)no3)C2)CCOC1 606444044 AFHJZIOIGXLWNG-GXTWGEPZSA-N 296.371 0.472 0 50 CCAA Cc1noc(C)c1CCCNC(=O)c1c[nH]c(=O)cn1 84808721 JGCRAUGXKGQNSY-UHFFFAOYSA-N 276.296 0.737 0 50 CCAA COCc1nc(OC)cc(N2CCS(=O)CC2)n1 613878676 ZITGYQWUTCGRAK-UHFFFAOYSA-N 271.342 0.200 0 50 CCAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(Cc1ncc[nH]1)C2 91563025 NEOLCNWPFNDCKX-QWHCGFSZSA-N 291.399 0.394 0 50 CCAA CCNC(=O)[C@H](C)NC(=O)Nc1cncc(F)c1 97295128 XDHKLIXUZMSFJT-ZETCQYMHSA-N 254.265 0.867 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)c1ncn(C)n1 293832098 GFMTZEBLMZRWOH-SNVBAGLBSA-N 279.344 0.192 0 50 CCAA O=C(O)c1cncnc1N1CCC2(CC1)OCCC[C@H]2O 95365744 DOWVYOCBACQUCM-LLVKDONJSA-N 293.323 0.685 0 50 CCAA NC(=O)[C@@H]1COCCN1C(=O)/C=C/C1CCCCC1 180268220 LRCHWQDOKZEMNY-SYTKJHMZSA-N 266.341 0.836 0 50 CCAA COCCN(C)C[C@@H]1CN(c2ccncc2F)C[C@@H]1CO 91664696 REOXOISIEFPWIM-CHWSQXEVSA-N 297.374 0.844 0 50 CCAA Cc1ccnn1CCN(CCO)Cc1nccn1C 243956904 CEDJTCLSXRLZNO-UHFFFAOYSA-N 263.345 0.420 0 50 CCAA NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCO1 252517879 UDOSLDJNMNSODN-MXWKQRLJSA-N 269.345 0.509 0 50 CCAA C[C@@H](CCNC(=O)c1cncn1C)N1CCN(C)CC1 534586321 NCIZICFBLDUUIB-LBPRGKRZSA-N 279.388 0.176 0 50 CCAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)CCn1nnnc1C 299791822 DCWNYENHUBLWLG-QMMMGPOBSA-N 291.359 0.599 0 50 CCAA O=C([C@H]1C=CCN1)N1CCC(c2nnc3ccccn23)CC1 299764739 KKTIPQDJEQEQFO-CYBMUJFWSA-N 297.362 0.963 0 50 CCAA CCN1C[C@H](NC(=O)CC2CCNCC2)[C@@H](OC)C1 824504727 ITCCKLWXLYGESQ-STQMWFEESA-N 269.389 0.211 0 50 CCAA C=CC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 1336680960 HPXVTLKIYYVTBU-GFCCVEGCSA-N 274.320 0.969 0 50 CCAA CCN1CCN(CC(=O)N2CC(N3CCCCC3)C2)CC1 952981887 JBDNGXWFFLTSJK-UHFFFAOYSA-N 294.443 0.321 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)NC1(C(N)=O)CCCC1 952984347 ZPWIAGBYEHBCRM-JTQLQIEISA-N 264.329 0.434 0 50 CCAA COCCN(C)CC(=O)N1C[C@H](C)[C@@](O)(C(C)C)C1 1565515211 HDMKHFCPPKXZNV-JSGCOSHPSA-N 272.389 0.430 0 50 CCAA CNC(=O)N[C@@H]1CCN(C[C@](C)(O)C(F)(F)F)C1 407958913 SCLXSFXYNAHTGA-APPZFPTMSA-N 269.267 0.303 0 50 CCAA O=C(NCC1(c2ccc(F)cc2)CC1)[C@@H]1C[C@@H](O)CN1 269211148 AWSXIVJDBYAGFJ-OLZOCXBDSA-N 278.327 0.696 0 50 CCAA COC(=O)C[C@@]1(NCc2ccon2)CCCOC1 170083208 FBHQNGMOJMSEEN-LBPRGKRZSA-N 254.286 0.877 0 50 CCAA CO[C@H](C(=O)N1c2ccccc2C[C@H]1C(N)=O)C1CC1 665718294 GCTXHHPWPUKZFX-STQMWFEESA-N 274.320 0.855 0 50 CCAA NC(=O)[C@@]1(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CCOC1 585091104 YERNYZNKZFXIIO-AYGWYOGXSA-N 266.341 0.573 0 50 CCAA CCn1[nH]nnc1=NC(=O)NCCc1ccncc1C 585119474 IQMUDGYFLHWCPN-UHFFFAOYSA-N 275.316 0.183 0 50 CCAA NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](c2cccnc2)C1 567964368 MKJVKUZPBZTYOS-STQMWFEESA-N 288.351 0.941 0 50 CCAA O[C@H](Cn1cc(Br)cn1)C1(O)CCC1 899880993 UGXTYTSSBYSVHQ-MRVPVSSYSA-N 261.119 0.922 0 50 CCAA CCc1nccn1C[C@@H](C)NC1CCN(CC(=O)O)CC1 1506417748 BKEHAWXTNCZRQH-GFCCVEGCSA-N 294.399 0.973 0 50 CCAA Cc1nc(N2CC[C@](O)(CN(C)C)C2)c2[nH]ccc2n1 1857693557 BNOISCWGOKYACX-AWEZNQCLSA-N 275.356 0.769 0 50 CCAA CC(C)(C)NC(=O)NC(=O)CN1[C@H]2CC[C@H]1CC(=O)C2 225424466 GOCNEVDZCIZOET-UWVGGRQHSA-N 281.356 0.807 0 50 CCAA CN(C)C(=O)CN=c1[nH]c(-c2ccc(F)cc2)no1 623805374 DNUWPSZGDLTHCT-UHFFFAOYSA-N 264.260 0.798 0 50 CCAA CCN(CC(=O)N1C[C@H](OC)C[C@H]1CO)C1CC1 345261905 OSVRGPCHCKIIKR-NWDGAFQWSA-N 256.346 0.079 0 50 CCAA CN(C(=O)CN1C[C@@H]2CNC[C@@]2(CO)C1)C1CCCCC1 1772704028 HZQSQFGNZYVTJD-BBRMVZONSA-N 295.427 0.291 0 50 CCAA CCc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)cc1 16805474 JWYWPRKXCCEKHQ-WQLSENKSSA-N 299.355 0.930 0 50 CCAA COc1ccc(C(=O)NC(=S)N2CCN(C)CC2)cc1 19860542 BDZBDADKDGWRAF-UHFFFAOYSA-N 293.392 0.957 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)c1cc(F)ccc1F)C2 1857732945 OKTPBDVUVPHEGD-SCZZXKLOSA-N 296.273 0.552 0 50 CCAA Cc1cc(CNC(=O)CN2CCCC[C@H](O)C2=O)ccn1 644493160 RHHOJIQQODDERC-ZDUSSCGKSA-N 291.351 0.380 0 50 CCAA O=C(c1conc1C1CC1)N1CCN2C(O)=NC[C@@H]2C1 329222217 WAWSNOSEZNCAMH-SECBINFHSA-N 276.296 0.606 0 50 CCAA CN1CCN(C(=O)[C@@]2(O)CCc3ccccc3C2)CC1=O 367363602 QNSAJNJNZBDCFE-MRXNPFEDSA-N 288.347 0.207 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)Cc1c[nH]c2ncccc12 262691331 BPILOWHMFMQBGB-LLVKDONJSA-N 289.291 0.417 0 50 CCAA C[C@@H]1CN(C)C(=O)CN1C(=O)c1cc2n(n1)CCCC2 829793668 WFXFNYJJUZRBPV-SNVBAGLBSA-N 276.340 0.522 0 50 CCAA CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nn[nH]n2)CC1 1875269233 OLAFHCJYLQAKMJ-LLVKDONJSA-N 292.343 0.122 0 50 CCAA Cn1nnc2c1[C@@H](C(=O)NOC1CCC1)CCC2 1875392800 UVTIBYDFLVWFIO-VIFPVBQESA-N 250.302 0.835 0 50 CCAA CO[C@@H]1CN(Cc2cc(C)no2)C[C@H]1c1cn(C)nn1 886072055 MMUMPLPHSFKEGP-WCQYABFASA-N 277.328 0.726 0 50 CCAA COC(=O)C(=O)CC(=O)c1ccc(OC)cc1O 1775976788 PXLPVUBEEXUDFM-UHFFFAOYSA-N 252.222 0.716 0 50 CCAA C[C@@H]1CCCCN1CCCNC(=O)[C@H]1C[C@@H](O)CN1 252423433 WLIHDBWUBSTVDV-JHJVBQTASA-N 269.389 0.090 0 50 CCAA C[C@H](C(=O)NCc1cc(=O)c(O)co1)N1CCCCC1=O 2325774499 PPQQOETUJCBRGM-SECBINFHSA-N 294.307 0.363 0 50 CCAA O=C(N[C@]1(c2ccccc2F)C[C@H](O)C1)[C@@H]1CNCCO1 2325800404 DOTZUMFZPMRRDG-VZJVUDMVSA-N 294.326 0.280 0 50 CCAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc2c(n1)CCCN2 2325804770 OMVSWNHMDWVBCZ-SECBINFHSA-N 293.348 0.480 0 50 CCAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)NC1CCCCC1 118890 IQSHTNWJFNAZED-LLVKDONJSA-N 297.355 0.392 0 50 CCAA O=C(CCN1C(=O)CCC1=O)Nc1nncs1 859390 HRYVJOCFVVDEHO-UHFFFAOYSA-N 254.271 0.016 0 50 CCAA Cc1cc(C(=O)NC[C@@H](O)c2cccc(O)n2)cc(O)n1 2356158571 POPUDCAHDAGZSZ-LLVKDONJSA-N 289.291 0.660 0 50 CCAA CCCNC(=O)C(=O)NCc1ccc(OC)cc1 2993691 IZCUMGCBGGFRLP-UHFFFAOYSA-N 250.298 0.838 0 50 CCAA CN(C)C(=O)CN1CCCN(C[C@@H](O)C(F)(F)F)CC1 221837429 AGJOGAZYWZHZLF-SNVBAGLBSA-N 297.321 0.006 0 50 CCAA O=C(NCCNc1cccnc1)[C@@H]1CC(=O)N(C2CC2)C1 65384485 FKYYLWWKPOZZRY-LLVKDONJSA-N 288.351 0.621 0 50 CCAA CCOc1ccc(CN2C[C@H](N)C[C@H]2C(=O)NC)cn1 67588626 FQERVKOCLZGGMZ-NEPJUHHUSA-N 278.356 0.128 0 50 CCAA C[C@]1(C(=O)N[C@@H]2CCCCNC2=O)CCCCN1 136159191 RCZXFSVTJXNGRG-ZWNOBZJWSA-N 253.346 0.304 0 50 CCAA Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C 349723931 SLKHFVTWLRWRSE-LLVKDONJSA-N 279.388 0.813 0 50 CCAA NC(=O)c1cccnc1N1CCN(C[C@H]2CCOC2)CC1 215911516 JVEJQWAJIBHIMR-GFCCVEGCSA-N 290.367 0.339 0 50 CCAA Cc1ccc(CNC(=O)Cc2c[nH]c(=O)n(C)c2=O)s1 215253844 TYRIGDMMQZDBOV-UHFFFAOYSA-N 293.348 0.302 0 50 CCAA CN1CCO[C@@H](CN(CC(=N)O)C(=O)[C@H]2CCCOC2)C1 328638169 OZPGBMKVTPYGHI-NWDGAFQWSA-N 299.371 0.107 0 50 CCAA CCOC(=O)C(F)(F)CC(O)(O)c1ccncc1 216625649 YLDQSXPAOVNWCI-UHFFFAOYSA-N 261.224 0.808 0 50 CCAA Cc1cncc(CN2CCO[C@@H](CN(C)CC(N)=O)C2)c1 282018034 KBYVKVNTCVRHBU-AWEZNQCLSA-N 292.383 0.008 0 50 CCAA CCc1cc(NCc2nc(C(N)=O)no2)n2nccc2n1 72458839 AXHNKFQQERJFMB-UHFFFAOYSA-N 287.283 0.386 0 50 CCAA CCOC(=O)C(C(=O)OCC)[C@@H](O)C(F)(F)F 137319557 MJLGCAZDDADWAF-ZCFIWIBFSA-N 258.192 0.652 0 50 CCAA O=C1CC[C@H](NC(=O)N2CCOCC2)[C@H](C2CC2)N1 335557480 NIVQIHGUICSUFN-JQWIXIFHSA-N 267.329 0.085 0 50 CCAA O=C(NCc1nn[nH]n1)c1cccc([C@@H]2CCCNC2)c1 215728185 XBVREOLBLBUCKQ-GFCCVEGCSA-N 286.339 0.597 0 50 CCAA CC(=O)NCCC1CCN(C(=O)Cc2cnccn2)CC1 223748198 NZWDDKGGCIFPTJ-UHFFFAOYSA-N 290.367 0.784 0 50 CCAA CCOC[C@@H]1CN(C(=O)NCc2ncccn2)CCO1 528049958 AGMSRTSAZSXKOZ-NSHDSACASA-N 280.328 0.424 0 50 CCAA CC[C@@H](NC(=O)c1cncc(=O)[nH]1)c1ccnn1C 426563079 HUQUAZHYEIYNLG-MRVPVSSYSA-N 261.285 0.385 0 50 CCAA CC(=O)NCC(=O)NC[C@@H](C)Oc1cccnc1 221166995 GSBYDKDQWQKGFY-SECBINFHSA-N 251.286 0.101 0 50 CCAA O=C(NCc1nc(O)n[nH]1)[C@H]1CCc2ccccc21 336314086 HSLDZDJSEGZXFO-JTQLQIEISA-N 258.281 0.857 0 50 CCAA Cc1cnc(CN(C)C(=O)NCC(C)(C)CO)[nH]1 426700128 YWSIGEXWCIVOJT-UHFFFAOYSA-N 254.334 0.878 0 50 CCAA CC[C@@H](C)NS(=O)(=O)c1nnc(NC(C)=O)s1 36182524 UOTZEJYFGBXZFC-RXMQYKEDSA-N 278.359 0.573 0 50 CCAA CN(CCn1ccnc1)C(=O)NCCSc1nc[nH]n1 426621537 CBEPQKAOZTXDNF-UHFFFAOYSA-N 295.372 0.435 0 50 CCAA O=C(C1CCN(Cc2ccco2)CC1)N1C[C@H](O)CO1 91769828 RJDDPYJMVONDOD-LBPRGKRZSA-N 280.324 0.626 0 50 CCAA CNC1CCN(C(=O)CNC(=O)CCC(C)C)CC1 237058482 LXTNYNKUFMTZJE-UHFFFAOYSA-N 269.389 0.749 0 50 CCAA Cc1cc(N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)ccn1 91664655 PDYUUFUSSMDGMG-GFCCVEGCSA-N 289.335 0.950 0 50 CCAA COC(=O)NCC(=O)N1CC(Oc2ccccc2OC)C1 91966709 OCWUGOVUQOQYJR-UHFFFAOYSA-N 294.307 0.641 0 50 CCAA CSc1ncc(CN2C[C@H](O)C[C@H]2C(=O)O)cn1 244872777 WEFSCUQJOOVNAB-BDAKNGLRSA-N 269.326 0.218 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3C4C5[C@@]6(CC7(CC7)C[C@]516)[C@@H]2[C@@H]43 248023796 IUHGBXUQVZUVDO-XYIQGILLSA-N 283.331 0.510 0 50 CCAA COc1ncc(C)cc1CC[C@@](O)(CC(=O)O)C(=O)O 526061583 FGYMJXFSHBLHLW-CYBMUJFWSA-N 283.280 0.622 0 50 CCAA COc1cccc(N2CCC(N[C@@H](CO)C(=O)O)CC2)c1 534575244 IAPVQCHNZIUMCD-AWEZNQCLSA-N 294.351 0.699 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 299762788 AXEHRJVMDUMCLU-SECBINFHSA-N 290.327 0.273 0 50 CCAA Nc1cc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)n[nH]1 299759532 OGSQSQVKAVNHCN-JTQLQIEISA-N 277.372 0.986 0 50 CCAA COCc1n[nH]c(CCN2CCCCCC2=O)n1 824485488 QTDZLXUYOSWQRW-UHFFFAOYSA-N 252.318 0.896 0 50 CCAA CN1CCC[C@H]1CCn1cnc2nccnc2c1=O 584892349 KNGITKRNOVQUMO-JTQLQIEISA-N 259.313 0.671 0 50 CCAA CN(C)C1=NC2(CCN(C[C@H]3CCCOC3)CC2)C(=O)N1 670450012 BYFKVURMPBWCIG-GFCCVEGCSA-N 294.399 0.295 0 50 CCAA CSCC(=O)N1CCN(CC(C)C)[C@@H](CCO)C1 584902184 ATCDFXZGUCEZFX-LBPRGKRZSA-N 274.430 0.901 0 50 CCAA CCOC(=O)N1CC[C@@H](NCc2nonc2C)C1 584889321 CIBNMEWBCCTGGW-SECBINFHSA-N 254.290 0.698 0 50 CCAA COCCN1CC(=O)N([C@H]2CSC[C@@H]2C)C1=O 408517059 ZVYYIOAVAISROD-IUCAKERBSA-N 258.343 0.649 0 50 CCAA COC(=O)[C@@]1(NC(=O)c2ncccc2O)CCSC1 275347679 PZISPPKPEXTWGC-GFCCVEGCSA-N 282.321 0.566 0 50 CCAA OCc1ccnc(NCc2cn(C[C@H]3CCOC3)nn2)c1 641762629 PLVZTIXTTUEZEH-GFCCVEGCSA-N 289.339 0.814 0 50 CCAA CC1(C)NC(=O)CC[C@H]1NC(=O)CCc1ncccn1 643243660 ARAXTTCHMMEQJW-SNVBAGLBSA-N 276.340 0.583 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(c2ncc(Cl)cn2)C1 643719819 LRIWZQDCHRANCY-ZDUSSCGKSA-N 298.774 0.940 0 50 CCAA NC[C@@H](NC(=O)[C@@H]1COCCN1)c1ccc2ccccc2c1 192547526 RKPWXRCQRYFVNL-CVEARBPZSA-N 299.374 0.944 0 50 CCAA Cn1cc(N2C[C@@H](NC(=O)C[C@@H]3CCCO3)CC2=O)cn1 1615586427 NBCUDLRBDHOGOO-JQWIXIFHSA-N 292.339 0.211 0 50 CCAA CC(=O)c1c(C)nn(CCC(=O)N2C[C@H](O)[C@@H](F)C2)c1C 1616098007 BOWPTEYQGNBLQE-RYUDHWBXSA-N 297.330 0.634 0 50 CCAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1n[nH]c(O)n1 1506423577 IXBMWPTYRCTDSG-MRVPVSSYSA-N 295.343 0.229 0 50 CCAA CNC(=O)C[C@@H](C)N(C)C(=O)c1cc(C(C)C)nc(N)n1 1506423360 HYAPNFFEKGGXIU-SECBINFHSA-N 293.371 0.779 0 50 CCAA CCCCS(=O)(=O)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669513 FYRJHILICITHAH-CMPLNLGQSA-N 291.369 0.539 0 50 CCAA COc1ccc(CN(CCO)Cc2ncc[nH]2)cn1 1704306025 UFSOGIHMCWZQDO-UHFFFAOYSA-N 262.313 0.808 0 50 CCAA C[C@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)C 337811670 OIKLCPKIHHMGSA-SNVBAGLBSA-N 250.346 0.899 0 50 CCAA O=C(Nc1ccsc1)N(CCO)CCN1CCOCC1 157671597 NFHYORJWSIAWOK-UHFFFAOYSA-N 299.396 0.907 0 50 CCAA CCOCCN1CCN(CCS(C)(=O)=O)C[C@H]1C 246307418 ADTYSKBLAHGVCF-GFCCVEGCSA-N 278.418 0.074 0 50 CCAA CCOC(=O)CNC(=O)CSc1ccccn1 5736790 GKGFAPQWUGKCRB-UHFFFAOYSA-N 254.311 0.853 0 50 CCAA COc1ccc(C)cc1NC(=O)C(=O)NCCCO 5059664 YRUBEKWOAMVVIT-UHFFFAOYSA-N 266.297 0.441 0 50 CCAA Cc1ccc(NC(=O)N2C[C@H](O)[C@@H](n3ccnn3)C2)cn1 1857532089 UAVBOVHFUIYLRP-RYUDHWBXSA-N 288.311 0.431 0 50 CCAA CN1CC2(C1)CN(C(=O)c1nc(=O)c3ccccc3[nH]1)C2 1857700537 DQUZBGDCBMXCKK-UHFFFAOYSA-N 284.319 0.311 0 50 CCAA Cc1nc[nH]c1CC(=O)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857732814 IHBREWDHWBNNNF-KGYLQXTDSA-N 279.340 0.259 0 50 CCAA CCC1(NC(=O)Cn2c(C)cc(O)cc2=O)CCOCC1 330504905 JDTOZVKKQALOMY-UHFFFAOYSA-N 294.351 0.938 0 50 CCAA CC1=CCCN(C(=O)[C@@H]2Cn3c(C)nnc3CN2C)C1 644455337 NKHGZAWQCBBCNA-LBPRGKRZSA-N 275.356 0.579 0 50 CCAA COc1cc(C)cnc1C(=O)N1CCN2C(=O)NC[C@H]2C1 372832366 UOUHBTGCXTVTGG-JTQLQIEISA-N 290.323 0.248 0 50 CCAA COc1nc(C)ccc1C(=O)N[C@H]1C[C@@H](C(=O)O)C1 263341585 SBLBYLJUUQRICA-DTORHVGOSA-N 264.281 0.992 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 860780193 HVIGMVPKYVWVRV-GFCCVEGCSA-N 296.367 0.632 0 50 CCAA Cn1cc(-c2noc([C@H]3CCCc4nn[nH]c43)n2)nn1 952895076 SBJAMXMONCYFBU-LURJTMIESA-N 272.272 0.451 0 50 CCAA CCOCC(=O)N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 952888643 MBUPIQOOMDLLFD-NWDGAFQWSA-N 284.356 0.294 0 50 CCAA CN(CCNC(=O)COC[C@H]1CCCO1)c1ccccn1 1875275202 ZZXCYTBZAJWWDZ-CYBMUJFWSA-N 293.367 0.830 0 50 CCAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1)[C@H]1CCc2n[nH]cc2C1 1875300549 IABNEPNUXTULGH-ARENWVFISA-N 295.364 0.590 0 50 CCAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@@H]1CCc2ccnn2C1 1875311086 MKJPORMNATVHPR-ZMHPAJMFSA-N 289.335 0.671 0 50 CCAA CN1CCN(c2nc(C3CCOCC3)ns2)C[C@@H]1CO 894882271 UIPDSNILAWSTLZ-LLVKDONJSA-N 298.412 0.545 0 50 CCAA O=C(NS(=O)(=O)C1CCCCC1)[C@]12CC[C@H]1CNC2 1775962280 CEVQFCGBTBHDJY-GWCFXTLKSA-N 286.397 0.765 0 50 CCAA CNc1nc(CN2CC[C@](C)(O)[C@H](O)C2)cs1 248073966 TUFITVWBPCLMSV-KOLCDFICSA-N 257.359 0.502 0 50 CCAA COC(=O)C(C)(C)NC(=O)c1ccnc2[nH]cnc12 294308585 JGHNZYHTNWEAGC-UHFFFAOYSA-N 262.269 0.639 0 50 CCAA CC(=O)Nc1nc(C(=O)N2CCNC(C)(C)C2)cs1 408319513 JJHQSDYZFLJGOH-UHFFFAOYSA-N 282.369 0.926 0 50 CCAA Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)s1 317555675 ZJJXROSAFQPVLH-ZJUUUORDSA-N 291.394 0.339 0 50 CCAA COC[C@H]1CN(C(=O)CNCC(F)(F)F)CCO1 369629562 LVUUNAGYNSVXJR-MRVPVSSYSA-N 270.251 0.012 0 50 CCAA CC1=C(C(N)=O)C(c2ccc(C)o2)C(C(N)=O)=C(C)N1 19858038 DNIIUHDEFJAMNQ-UHFFFAOYSA-N 275.308 0.793 0 50 CCAA Cn1cc(S(=O)(=O)NC2C[C@@H]3CSC[C@H]3C2)nn1 2325783960 ODJAKZKGSMICBS-HTQZYQBOSA-N 288.398 0.235 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N(C[C@@H]1CCOC1)C1CC1 225580559 NOLCIKYRMMOTAE-JMJZKYOTSA-N 253.298 0.735 0 50 CCAA CS(=O)(=O)N1CCN(CCc2ccccc2)CC1 20275202 DAEIBELHHAUOIH-UHFFFAOYSA-N 268.382 0.806 0 50 CCAA CS(=O)(=O)CCNC(=O)CCc1ccncc1 56880717 JLYZEZYGWYDOPN-UHFFFAOYSA-N 256.327 0.175 0 50 CCAA O=S(=O)(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)C1CC1 252480922 CGJNZANXNGVAJY-CMPLNLGQSA-N 289.397 0.636 0 50 CCAA Cc1nc2ccc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc2o1 281607103 OYZUQZWOVQNZBA-SNVBAGLBSA-N 287.275 0.671 0 50 CCAA CSC[C@@H](C)C(=O)Nc1ccn([C@@H]2CCNC2)n1 328645379 ZPQRCUZYXFZMCM-NXEZZACHSA-N 268.386 1.355 0 50 CCAA CCNC(=O)CN(CC)[C@@H]1CCN(C2CCOCC2)C1=O 363146991 LNWFLDIGSVXVOJ-CYBMUJFWSA-N 297.399 0.224 0 50 CCAA C[C@@H](C(=O)O)N(C)S(=O)(=O)c1cccc(N(C)C)c1 261666538 OPRTXDVIFNRQBZ-VIFPVBQESA-N 286.353 0.846 0 50 CCAA O=C(COC[C@@H]1CCCCO1)NCCn1ccnc1 215245866 WRACNPTYWVISNI-LBPRGKRZSA-N 267.329 0.585 0 50 CCAA CN1CCC(N(C)C(=O)C[C@@H]2CCCC(=O)N2)CC1 377159896 VESGFWSRSVAFNU-NSHDSACASA-N 267.373 0.598 0 50 CCAA CC[C@@]1(O)CCN(C(=O)CCc2c(C)noc2C)C[C@H]1O 72435151 FJYWAUBBMMOFGW-UKRRQHHQSA-N 296.367 0.958 0 50 CCAA O[C@]1(c2c[nH]nn2)CCN(Cc2ccc(F)cn2)C1 284766006 JIPLKGNLKLXLSQ-GFCCVEGCSA-N 263.276 0.432 0 50 CCAA CC(C)(O)CNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C 174833193 YRQPJUCTFDIBQZ-VIFPVBQESA-N 288.413 0.821 0 50 CCAA Cc1nc(C)n(CCCNC(=O)c2ccc(N)nc2)n1 222325437 ZDBGZTRYWCFCMZ-UHFFFAOYSA-N 274.328 0.692 0 50 CCAA CCn1ncnc1[C@@H](C)NC(=O)CCCC(=O)O 426489932 AKLIRASQFKHRAO-MRVPVSSYSA-N 254.290 0.730 0 50 CCAA O=C(NCCn1cccn1)N1CCCC[C@H]1CO 426498754 SHIMGHNYCSPWQR-NSHDSACASA-N 252.318 0.440 0 50 CCAA CSCCc1nc([C@H]2CCOC2)n(CC(=O)O)n1 97636523 YVZCJKLNGYPXHG-QMMMGPOBSA-N 271.342 0.772 0 50 CCAA CC[C@H]1CN(Cc2cnn(CCC(=O)O)c2)CCO1 97654104 SKMJTCFCCHYNLS-LBPRGKRZSA-N 267.329 0.969 0 50 CCAA NC[C@@H]1CCCN1C(=O)c1ccc(-n2cnnc2)cc1 237971223 ANWZPOBVNGPXSR-ZDUSSCGKSA-N 271.324 0.831 0 50 CCAA Cc1ccccc1OC1CN(C(=O)C[C@@H]2COCCN2)C1 92028616 RJFIXDQNGUIJSE-CYBMUJFWSA-N 290.363 0.963 0 50 CCAA O=C(Cn1c(=O)cnc2ccccc21)N1CCCOCC1 95512983 HSMKNNDDRCWCDV-UHFFFAOYSA-N 287.319 0.645 0 50 CCAA C[C@H]1C[C@H](NC(=O)c2n[nH]c3ccccc23)C(=O)O1 267830001 JVIHOWYAVBXKNL-XVKPBYJWSA-N 259.265 0.997 0 50 CCAA CN1C(=O)COc2cc(NC3=CC(=O)NC3)ccc21 524733634 XRAWTWAMDWSOTH-UHFFFAOYSA-N 259.265 0.467 0 50 CCAA Cc1nccc(C(=O)N[C@H]2CCc3nccn3C2)n1 623805807 GOAOBSIIMZGLRH-JTQLQIEISA-N 257.297 0.726 0 50 CCAA O=C(COC[C@@H]1CCOC1)NC1(C(=O)O)CCCC1 299753551 YOAYOHMDVBAYBR-SNVBAGLBSA-N 271.313 0.553 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1ccnc(C2CC2)n1 299752859 VUBZXXRFAQOOTN-JTQLQIEISA-N 277.280 0.280 0 50 CCAA CN(C)[C@@H]1C[C@H]2C(=O)Nc3c(F)cccc3C(=O)N2C1 534645369 FMUKQFLKTUDABH-KCJUWKMLSA-N 277.299 0.923 0 50 CCAA O=C(CN1CCOCC1)NCc1ccc2c(c1)CCCO2 299763884 GJSAAUBERGJKJR-UHFFFAOYSA-N 290.363 0.960 0 50 CCAA C[C@H](c1ncnn1-c1ccncc1)N1CCN(C)CC1 822279840 YEHTYDXEWPMVGZ-GFCCVEGCSA-N 272.356 0.971 0 50 CCAA CO[C@H]1CN(Cc2nc(C(F)(F)F)no2)C[C@@H]1O 670473025 KBSHKPBPDFSNAX-WDSKDSINSA-N 267.207 0.280 0 50 CCAA Cc1ncn(C)c1C(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1 670446656 MNZSRJDSYLCJRL-RYUDHWBXSA-N 278.356 0.010 0 50 CCAA Cc1ccc(NC(=O)[C@@]23CCOC[C@@H]2CNC3)c(O)n1 685943222 XUZNHXRBBUEWLC-IINYFYTJSA-N 277.324 0.660 0 50 CCAA N[C@@H]1CCNC[C@@H]1[C@@H]1CC[C@H](C(F)(F)F)NC1 757213082 NTUKAYAABLRJOS-ZYUZMQFOSA-N 251.296 0.854 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)C1 245227740 MUDIFKFPMJRUPI-OOCWMUITSA-N 265.309 0.899 0 50 CCAA COC(=O)c1ccc(CN2CC[C@H]3OCCN[C@H]3C2)nc1 403991526 JHBHASXQJULOKY-UONOGXRCSA-N 291.351 0.431 0 50 CCAA NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCNC1 213381849 VJFIOEBIKCCRNI-WCQYABFASA-N 273.336 0.035 0 50 CCAA Cn1[nH]c([C@H]2CCCN2C[C@@H](O)C(F)(F)F)nc1=N 408007115 BNZZHNBHHDOBIK-RNFRBKRXSA-N 279.266 0.288 0 50 CCAA Cc1ncc(S(=O)(=O)NC(=O)[C@@H]2CCCCO2)s1 408479719 GGZIPLWHYIEVCZ-QMMMGPOBSA-N 290.366 0.826 0 50 CCAA COC[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 275966954 NGDXXEWYCNZONL-QWHCGFSZSA-N 292.383 0.792 0 50 CCAA COCCn1c(C)cc(C(=O)COC(=O)[C@H](C)O)c1C 170637763 GECPVUOMRPARLK-NSHDSACASA-N 283.324 0.858 0 50 CCAA O=C(O)[C@H]1C[C@H](NS(=O)(=O)c2cncc(F)c2)C1 578127622 HPXRTMDSIYCJPU-FKQCQYRASA-N 274.273 0.362 0 50 CCAA CC(=O)c1csc(C(=O)N2CCCNC(=O)C2)c1 730218934 SUSAKHXZEGYNGF-UHFFFAOYSA-N 266.322 0.913 0 50 CCAA CCC1(CNS(=O)(=O)c2cc(C(=O)OC)no2)CC1 585115533 FPHVDOPWXWSONJ-UHFFFAOYSA-N 288.325 0.930 0 50 CCAA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2O)cc1F 220251828 FDFATKUQNNZGDU-GHMZBOCLSA-N 269.272 0.714 0 50 CCAA O=C(NCc1ccncn1)[C@@H](O)Cc1ccccc1 215615616 HISMVUXRYRRNPA-ZDUSSCGKSA-N 257.293 0.696 0 50 CCAA C[C@@H]1CCN(S(=O)(=O)NCc2nccs2)C1 408134716 ULDYDPVFOUFJOF-MRVPVSSYSA-N 261.372 0.819 0 50 CCAA Cn1nnc2c1CCN(C(=O)OC(C)(C)C)[C@H]2CO 306132397 LHLFQVGACGAZNZ-VIFPVBQESA-N 268.317 0.642 0 50 CCAA in-vitro CCC(N)(CC)CNS(=O)(=O)[C@@H]1CCCOC1 252495174 OMCNFVXGJWLMBB-SNVBAGLBSA-N 264.391 0.602 0 50 CCAA CCC(CC)(CC(=O)O)NC(=O)c1nccnc1N 262090216 LMWCCPXUYRHXQA-UHFFFAOYSA-N 266.301 0.822 0 50 CCAA O=C(O)c1cnc(N2C[C@H]3CNC[C@]3(CO)C2)c(Cl)c1 1772814929 VNLWYZKHPLRQEI-NOZJJQNGSA-N 297.742 0.451 0 50 CCAA OC[C@@]12CNC[C@@H]1CN(CCCOc1ccccc1)C2 1775977927 NDYLSUOBQILDBI-ZBFHGGJFSA-N 276.380 0.969 0 50 CCAA O=C1CO[C@]2(CCN(c3ncnc4[nH]ccc34)C2)CN1 1772816922 BGEDLFOYZLEWRZ-CYBMUJFWSA-N 273.296 0.053 0 50 CCAA CNC(=O)c1[nH]cnc1-c1nnc2n1CCSCC2 1775978812 IOCCPUSPLGDNPN-UHFFFAOYSA-N 278.341 0.317 0 50 CCAA CC[C@]12COC(=O)N1CCN(C(=O)c1csc(=N)[nH]1)C2 1857678510 ZHVRZZCABPMMSG-LBPRGKRZSA-N 296.352 0.612 0 50 CCAA C[C@H]1CN2C[C@@H](NC(=O)c3c[nH]c(=N)s3)C[C@H]2CO1 1857733984 IVFXRQBNULSBAT-CIUDSAMLSA-N 282.369 0.147 0 50 CCAA C[C@@H](C(=O)O)N1CCN(Cc2cccc(F)c2)C(=O)C1 131071976 SVGOQZMODQZXQJ-JTQLQIEISA-N 280.299 0.943 0 50 CCAA COCCn1nnnc1NC(=O)[C@@H]1COc2ccccc21 906300865 XXDYOJXRYXZRCF-SNVBAGLBSA-N 289.295 0.434 0 50 CCAA Cc1nc(C(=O)NCCN(C)c2ccccn2)no1 1875282867 WHGPWSZBZYYEQE-UHFFFAOYSA-N 261.285 0.639 0 50 CCAA O=C(N[C@@H]1C[C@@]12CCc1ccccc12)C(=O)N1CC(F)C1 1875281651 NFZLBAJTSUIWJB-CZUORRHYSA-N 288.322 0.939 0 50 CCAA Cn1nnc2c1[C@H](C(=O)NOC1CCC1)CCC2 1875392799 UVTIBYDFLVWFIO-SECBINFHSA-N 250.302 0.835 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 1875387424 HWJKCLNOZYIUEP-NSHDSACASA-N 288.351 0.760 0 50 CCAA O[C@H](COc1ccc2c(c1)OCO2)CN1CCOCC1 19790659 LDZNOWMXOFBXNJ-NSHDSACASA-N 281.308 0.487 0 50 CCAA NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21 408271463 WVZGRJWQRABVGN-NNYUYHANSA-N 286.397 0.702 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1cncn1C 643853948 OMPFCGCPNAQZRH-LBPRGKRZSA-N 267.285 0.126 0 50 CCAA O=C(O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 91663813 FIEFINSFTIWIEM-JTQLQIEISA-N 268.313 0.322 0 50 CCAA CC[C@H](N)C(=O)N1C[C@H](C)N(CCOC)[C@@H](C)C1 408513895 OOQNCYUPRVYFLY-SRVKXCTJSA-N 257.378 0.291 0 50 CCAA CNC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 2325746286 LNQNGQUQEGGBSQ-ZDUSSCGKSA-N 298.364 0.187 0 50 CCAA O=C(CNC(=O)C[C@@H]1OC(=O)c2ccccc21)NCCF 2325748264 FFIZNCFEGNFLCX-NSHDSACASA-N 294.282 0.490 0 50 CCAA O=C(CCCNC(=O)[C@H]1COC(=O)N1)Nc1ccccc1 2325762226 ZSCPLZRFSKFMDO-LLVKDONJSA-N 291.307 0.630 0 50 CCAA Cn1cc([C@H]2C[C@@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H]3C(=O)O)cn1 2325769506 LPPXOTISHMGBCF-LBELIVKGSA-N 289.335 0.988 0 50 CCAA Cc1ncc(/C=C/C(=O)NC[C@H]2CO[C@@H](CN)C2)s1 2325786569 XZANHJUAQMKRFF-ZROCKMJXSA-N 281.381 0.945 0 50 CCAA CC[C@](C)(O)c1c([C@](C)(O)CC)nnn1-c1nonc1N 274479 PYZJFRNVKPZAAR-NEPJUHHUSA-N 296.331 0.468 0 50 CCAA CCCCN(CP(=O)(O)O)CP(=O)(O)O 3075226 VXYOTIXPEUMUSS-UHFFFAOYSA-N 261.151 0.359 0 50 CCAA biogenic Cc1cc(C(=O)N2CCNC[C@H]2C)ccc1S(N)(=O)=O 124618849 JJHMZNFASVGYNZ-SNVBAGLBSA-N 297.380 0.076 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1cnc(C)nc1C 65380726 BNKCQTMNIAGBHV-RYUDHWBXSA-N 265.313 0.627 0 50 CCAA O=C(c1c[nH]c(=O)[nH]c1=O)N(Cc1cccnc1)C1CC1 216446292 LWFNFAYNGLRKNU-UHFFFAOYSA-N 286.291 0.263 0 50 CCAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)c1cncc(F)c1 219447237 VFNYCKJSNYIJHW-MNOVXSKESA-N 298.270 0.209 0 50 CCAA CS(=O)(=O)C1(C(=O)N2CC(OC(F)F)C2)CCC1 356923113 SPZHLEAILMLHPO-UHFFFAOYSA-N 283.296 0.404 0 50 CCAA CCc1nnc(CN2CC[C@](O)(CC)[C@H](O)C2)o1 72408676 LIAXNXJNRYQWCZ-BXKDBHETSA-N 255.318 0.340 0 50 CCAA Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@](O)(C2CC2)C1 366880693 INWWCISHTLTRMP-OAHLLOKOSA-N 291.351 0.593 0 50 CCAA Cc1cnn(CCNC(=O)[C@H]2CCCN[C@@H]2C)c1 235612400 GZFRDQOVQMHNKD-NEPJUHHUSA-N 250.346 0.696 0 50 CCAA O=S(=O)(N[C@H]([C@H]1CCCO1)C1(CO)CCC1)C1CC1 368073868 SXVWONJYFSFZRZ-VXGBXAGGSA-N 289.397 0.778 0 50 CCAA O=C(CN1CCC[C@@H](OCC2CC2)C1)N1CCNC1=O 368790821 JBIJZGDZYFNZKB-GFCCVEGCSA-N 281.356 0.429 0 50 CCAA O[C@]1(CN2CCC(CCn3cccn3)CC2)CCNC1 72424719 QGFWPICBOPQYCC-OAHLLOKOSA-N 278.400 0.710 0 50 CCAA COc1ccc(CCNC(=O)N2CC[C@H](N)C2)c(OC)c1 417346381 ZEZZIBFPGSMUAW-LBPRGKRZSA-N 293.367 0.989 0 50 CCAA Cc1nc(C(=O)N[C@]2(CO)CCOc3ccccc32)no1 374243677 JDUQDSIQUIEKEF-AWEZNQCLSA-N 289.291 0.778 0 50 CCAA C[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2cccnc2)C[C@@H](C)O1 283056404 KFSPKGIOJCXURS-IJLUTSLNSA-N 291.351 0.895 0 50 CCAA COc1cc2c(cc1CN1CCC[C@](O)(CO)C1)OCO2 72481608 BOFXDUXKJBZTBA-OAHLLOKOSA-N 295.335 0.743 0 50 CCAA CN(C[C@H]1CCCOC1)c1cncc(OCCO)n1 132584512 MLMAXHSBOUZYGP-LLVKDONJSA-N 267.329 0.711 0 50 CCAA COc1cc(C(=O)NCc2nc(N)n[nH]2)c2ccccc2n1 426571729 YYCXNAQKRUDINN-UHFFFAOYSA-N 298.306 0.874 0 50 CCAA CC(C)(C)OC(=O)N1[C@@H]2C[C@H](O)[C@@H](C2)[C@H]1C(=O)O 95911069 SDTKFYMBKIVOOR-KZVJFYERSA-N 257.286 0.830 0 50 CCAA C[C@H](NC(=O)[C@@H](C(=O)O)C(C)(C)C)c1nnc[nH]1 230436748 PEYIJHSHWMPVOI-BQBZGAKWSA-N 254.290 0.729 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@@H](C)N1C 293919395 GRYZTPANYAVBFU-PHIMTYICSA-N 275.352 0.950 0 50 CCAA OCC12CC3(CO)CC(CO)(C1)CC(CO)(C2)C3 140664064 UJUQKVUPKKDTLR-UHFFFAOYSA-N 256.342 0.283 0 50 CCAA Cc1nnnn1CCC(=O)NCC(C)(C)N1CCCC1 827822315 GNROZBFBZWBBIM-UHFFFAOYSA-N 280.376 0.362 0 50 CCAA CN1CCN(CC(C)(C)CN2CCCC2)CC1=O 828286380 CSAHFRIEPLZERQ-UHFFFAOYSA-N 253.390 0.882 0 50 CCAA CCN1CCC[C@@H]1CN1CCc2c(c(C(N)=O)nn2C)C1 670437699 RTCWLNQORXFHAG-LLVKDONJSA-N 291.399 0.361 0 50 CCAA CC(C)n1cncc1CN1CCN(C)[C@@H](C(=O)O)C1 243956755 CDLSFYZREWQIAA-GFCCVEGCSA-N 266.345 0.665 0 50 CCAA COC[C@H](C(N)=O)n1c(S)nc2ccccc2c1=O 133218325 BKYAYVYUZROCAN-SECBINFHSA-N 279.321 0.358 0 50 CCAA COC(=O)c1cccc(NC(=O)N[C@H]2CNCC[C@@H]2O)c1 1565506296 AJRZTXJCYQWWSH-RYUDHWBXSA-N 293.323 0.318 0 50 CCAA COC(=O)[C@H]1[C@H](O)CCCN1Cc1ncc(C)o1 189609152 XTUSQCARZZWZPB-MWLCHTKSSA-N 254.286 0.481 0 50 CCAA COC[C@]1(C(=O)N(C)Cc2nccn2C)CCCN1 643774061 HLFNLARCQOMNHR-ZDUSSCGKSA-N 266.345 0.147 0 50 CCAA CCn1nc(C)cc1C(=O)N1CCC[C@]1(COC)C(=O)O 643848307 ANPUCUHMZQZVEC-AWEZNQCLSA-N 295.339 0.917 0 50 CCAA N[C@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 195119671 KIQVSTPOPCKQRX-LBPRGKRZSA-N 285.347 0.951 0 50 CCAA CC(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CCCN)C1 662935767 ZFFMXSWIEBSZIM-GFCCVEGCSA-N 269.389 0.688 0 50 CCAA CN(Cc1ccc(S(C)(=O)=O)cc1)C[C@@H]1COCCO1 216061248 HAVHDMHCUAAIDS-CYBMUJFWSA-N 299.392 0.937 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(Cc1c[nH]c(=N)s1)C2 1875243163 SYKQZEYDMZGDEW-ZJUUUORDSA-N 268.386 0.318 0 50 CCAA CC(C)n1ccc(CN2CCC[C@@](O)(C(N)=O)C2)n1 225480580 QEQFFXHZGTZPTA-ZDUSSCGKSA-N 266.345 0.276 0 50 CCAA CCNS(=O)(=O)[C@H]1CCN([C@H](C)c2nnc(C)o2)C1 245531775 HMCSALQZONSMPV-SCZZXKLOSA-N 288.373 0.453 0 50 CCAA CC1=CC2(CCN(C(=O)c3n[nH]c(O)n3)CC2)OCC1 1704303466 ZSDUIGLZUIMWNE-UHFFFAOYSA-N 278.312 0.852 0 50 CCAA Cc1ccc(N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)nc1 1704354125 SUWFYYRIGXCVBV-NWDGAFQWSA-N 299.396 0.079 0 50 CCAA CCn1cc(CN(CCO)C(=O)[C@@H]2CO[C@@H](C)C2)cn1 331050398 KZOFVGQOASAPQP-AAEUAGOBSA-N 281.356 0.649 0 50 CCAA Cc1nn(C)cc1CN1CCN(C(=O)[C@@H]2CCCO2)CC1 160963726 MWVXGUFWRMZGPJ-AWEZNQCLSA-N 292.383 0.552 0 50 CCAA Cc1cccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)c1 1704331976 OAHMKSJPZSWYCD-KGLIPLIRSA-N 260.337 0.942 0 50 CCAA Cn1cc(S(=O)(=O)NCc2ccc(CCO)cc2)cn1 908273576 SIVPLKNTRHCKKG-UHFFFAOYSA-N 295.364 0.433 0 50 CCAA O=C(c1cc(=O)cc[nH]1)N1CCC[C@H](Cn2cncn2)C1 933240014 SPZSCEKTXDYBND-NSHDSACASA-N 287.323 0.519 0 50 CCAA Cc1c(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)ccn1C 851615205 CRJKYZDTWXPMOV-ZJUUUORDSA-N 252.270 0.305 0 50 CCAA O=C(O)[C@@]1(N2CCN(Cc3ccncc3)CC2)CCOC1 952853079 ZXSRKPPKWNBZMO-OAHLLOKOSA-N 291.351 0.443 0 50 CCAA O=S(=O)(Nc1cnn([C@H]2CC2(F)F)c1)c1cn[nH]c1 1875280906 GACDJQFVDUGEDW-QMMMGPOBSA-N 289.267 0.987 0 50 CCAA COc1cc(S(=O)(=O)N(C)c2ccnn2C)sn1 1875279847 ILRGEUDGBAYEBV-UHFFFAOYSA-N 288.354 0.710 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@@H]1CC(=O)N(c2ccccn2)C1 1875259364 AEZXODXNRDHQTL-MNOVXSKESA-N 291.307 0.271 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCCn2cccn2)CC1 1875369408 MJTXTVVRHCURFD-UHFFFAOYSA-N 276.340 0.424 0 50 CCAA CNC(=O)C[C@@H]1CN(CCc2cncc(F)c2)C[C@H]1O 1875399069 NSEYJTIWJBZDLR-DGCLKSJQSA-N 281.331 0.192 0 50 CCAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cc[nH]c1 1875402721 LJIBRSLHEASBAX-RAIGVLPGSA-N 274.324 0.781 0 50 CCAA Cc1csc(=O)n1CCSc1nc(N)cc(N)n1 299438676 KEKKPJTXAFQGNT-UHFFFAOYSA-N 283.382 0.965 0 50 CCAA CCOC(=O)c1cnc(N2CC(OCCO)C2)nc1C 952883653 WBJHPXXMEPZXPU-UHFFFAOYSA-N 281.312 0.159 0 50 CCAA CCOC(=O)c1c(NC(=S)NC)nc(C)n1C 330571 XKCBHTFWEDMWMH-UHFFFAOYSA-N 256.331 0.821 0 50 CCAA CO[C@@H](C(=O)NC[C@@H]1CNC(=O)C(C)(C)C1)C1CC1 2325800673 AVTXDLKXBYUSEL-MWLCHTKSSA-N 268.357 0.690 0 50 CCAA COC(=O)c1cc(NC(=O)N2CC3(CCOC3)C2)nn1C 889078398 ZPIZBAVHKXSZGB-UHFFFAOYSA-N 294.311 0.461 0 50 CCAA CCc1ccccc1N[C@H]1CS(=O)(=O)C[C@@H]1O 1252262 RLDPGUMJZNEKKX-RYUDHWBXSA-N 255.339 0.819 0 50 CCAA CC(=O)c1cccc(N(CC(=O)O)S(C)(=O)=O)c1 4258620 NEXYRDUXUMKDFQ-UHFFFAOYSA-N 271.294 0.740 0 50 CCAA O=c1nc(C2CCN(c3cncc(Cl)n3)CC2)[nH][nH]1 225534649 YHXIXEGTVOEFPA-UHFFFAOYSA-N 280.719 0.925 0 50 CCAA CCOC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 409444164 LGJURURWJQLDLW-UHFFFAOYSA-N 284.316 0.980 0 50 CCAA Cc1cnc(CCNC(=O)c2cc(C(N)=O)cs2)cn1 1363390145 ZJQZGMOWIXPBAU-UHFFFAOYSA-N 290.348 0.918 0 50 CCAA COCC1(NC(=O)CN2CCOC2=O)CCCC1 67868795 AGKKKFDMUZUWSP-UHFFFAOYSA-N 256.302 0.514 0 50 CCAA O=C(O)CNc1cccc(C(=O)NCCc2c[nH]cn2)c1 67714097 UORIWFQIXYMHDN-UHFFFAOYSA-N 288.307 0.879 0 50 CCAA COc1nscc1Cn1cnc2c(c1=O)COCC2 1364617829 QPBUHEMPRUXFBM-UHFFFAOYSA-N 279.321 0.829 0 50 CCAA Cn1nc(C(=O)N[C@H](CN)C2CC2)c(=O)c2ccccc21 429551315 DYKPJKBEXQAFKX-LLVKDONJSA-N 286.335 0.401 0 50 CCAA O=C1C2=Nc3nc(O)ncc3[C@@]2(O)c2ccccc21 71780196 CAFYDZQTBFJBSZ-ZDUSSCGKSA-N 253.217 0.701 0 50 CCAA O=C(CCCN1CCCCC1=O)NCCn1cccn1 216279568 BAJQJYCCEXBGPX-UHFFFAOYSA-N 278.356 0.792 0 50 CCAA CCN(C1COC1)S(=O)(=O)c1cnn(C)c1C 331758334 IGVQAXDSFMOROP-UHFFFAOYSA-N 259.331 0.138 0 50 CCAA O=C(NC[C@H](O)c1ccccc1F)[C@H]1CSCN1 153565798 OOVOLVKNGWVGRM-MNOVXSKESA-N 270.329 0.638 0 50 CCAA N=C(O)[C@H]1CC[C@H](CNC(=O)N[C@@H]2[C@H]3COC[C@H]32)O1 332948317 RYIZWUKTDJVIMX-SPFKKGSWSA-N 269.301 0.013 0 50 CCAA C[C@H](O)CNC(=O)Cn1cc(-c2ccccc2)nn1 127424547 SUXWXCLQCDXWFA-JTQLQIEISA-N 260.297 0.442 0 50 CCAA CO[C@H]1CN(C(=O)c2ccc3cccnc3n2)CC[C@H]1N 71749616 OQNHBWKHFZQGHV-YPMHNXCESA-N 286.335 0.818 0 50 CCAA CC1(C)CN(S(=O)(=O)C2COC2)[C@@H]2COC[C@@H]21 333081582 MCVQHYOGAAZSAU-VHSXEESVSA-N 261.343 0.072 0 50 CCAA CN(C[C@@H]1CCCN1C)C(=O)N[C@@H]1CC[C@@H](CN)C1 333229537 BRWSGHOEUACFSX-UPJWGTAASA-N 268.405 0.849 0 50 CCAA CCOCCn1c(=O)[nH]c2cc(C(=O)NC)ccc21 77406443 AVXFFSZKOARQPD-UHFFFAOYSA-N 263.297 0.726 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N[C@@](C)(C(=O)O)C1CC1 237721638 LDFLRCAAJXXLSE-CQSZACIVSA-N 295.339 0.785 0 50 CCAA CN(C)C[C@]1(O)CCCN(C(=O)Cc2cccnc2)C1 72168052 WXSHRMAFSXCUSF-OAHLLOKOSA-N 277.368 0.539 0 50 CCAA NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCO2 238020118 FGRMBNJWUXSBJE-ONGXEEELSA-N 298.364 0.821 0 50 CCAA CCCN(CC(=O)O)C(=O)c1ccc(C(=O)NC)nc1 262374538 MUYAYTPAYWYGJH-UHFFFAOYSA-N 279.296 0.378 0 50 CCAA COC[C@@H]1CN(C(=O)Nc2ccccn2)CCO1 173209291 NFINVNFMGLSSGD-JTQLQIEISA-N 251.286 0.961 0 50 CCAA NC(=O)c1ccc(-c2cc(=NC3CC3)nc(N)[nH]2)cc1 426514900 RJQLVDNKCXOTND-UHFFFAOYSA-N 269.308 0.821 0 50 CCAA CCC[C@H](NC(=O)Cc1nc(O)n[nH]1)c1nccn1C 426739044 LVIADADJSJIPLN-QMMMGPOBSA-N 278.316 0.444 0 50 CCAA Cc1nc[nH]c1CC(=O)N1CCCC[C@H]1c1nc(O)n[nH]1 614758321 PORMIWAINUHLQT-JTQLQIEISA-N 290.327 0.838 0 50 CCAA Cc1[nH]nc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1Cl 426635199 AWRGHTSITPGYMY-SSDOTTSWSA-N 284.703 0.648 0 50 CCAA O=C([C@@H](c1cccnc1)N1CCOCC1)N1CCC1 97742716 UNGSMHOIOXNAKW-CYBMUJFWSA-N 261.325 0.687 0 50 CCAA COc1ccc(-c2cn([C@H](C)c3nnn[nH]3)nn2)cn1 95374909 MGYAZKOCOKQAHT-SSDOTTSWSA-N 272.272 0.471 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@]13CCCC[C@]53[C@H]42 248027996 KERNAUZBQLYRHV-KXACQHNLSA-N 271.320 0.510 0 50 CCAA C[C@H](OC[C@@H]1CCCCO1)C(=O)NC(C)(C)C(=O)O 299750393 NIUCZOYVZPBPQF-UWVGGRQHSA-N 273.329 0.940 0 50 CCAA CN(c1ccc(C(=O)N[C@@H]2CCNC2)cc1)S(C)(=O)=O 244633291 GANUGJIKXWMSGQ-LLVKDONJSA-N 297.380 0.174 0 50 CCAA CCc1cnc(C)nc1N1CCN(CCC(=O)O)CC1 534593124 KKMPIMMPRZTPNT-UHFFFAOYSA-N 278.356 0.944 0 50 CCAA C[C@@H](CCNC(=O)c1cn[nH]c1)N1CCN(C)CC1 534578941 WQYYAIPYCCKBPE-NSHDSACASA-N 265.361 0.166 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)NCCc1cccnc1 827628047 MONYDWLPHRWAMP-NSHDSACASA-N 259.313 0.668 0 50 CCAA O=C1NC2(CCCC2)C(=O)N[C@@H]1c1ccc(O)cc1 828301510 LMXOMLQXPPHHAH-LLVKDONJSA-N 260.293 0.992 0 50 CCAA COCC[C@@H]1CCCN(C(=O)CCNC(C)=O)C1 584899585 KZNLIGQELGGGOS-LBPRGKRZSA-N 256.346 0.788 0 50 CCAA CN1Cc2ccccc2C[C@@H]1CNC(=O)c1cncc(=O)[nH]1 584889053 OMTDKMZOFILGPQ-CYBMUJFWSA-N 298.346 0.556 0 50 CCAA CCCOC[C@@H]1CCN(C(=O)CN2CCOCC2)C1 584899830 HMOSFZKPMQQFSL-CYBMUJFWSA-N 270.373 0.594 0 50 CCAA Cc1cc(Cl)cc2c(=O)n([C@@H]3CNC[C@H]3O)cnc12 670438452 JASYUYPNZVEKCM-GHMZBOCLSA-N 279.727 0.864 0 50 CCAA CSCCC(=O)N1CCO[C@@H](C(=O)N(C)C)C1 670456425 ARVKFNSCPKLYRP-SECBINFHSA-N 260.359 0.055 0 50 CCAA COCCC(=O)N1CCC2(CC1)CO[C@@H](CN)C2 1342613960 HAFCFHXUTIHIGV-LLVKDONJSA-N 256.346 0.379 0 50 CCAA COCC1(N(C)C(=O)[C@H](C)Cn2cncn2)CC1 952969005 AHDYZRBHSHTMLQ-SNVBAGLBSA-N 252.318 0.552 0 50 CCAA C[C@@H]1[C@H](C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1(F)F 408233335 TUBFFERDJDHGDO-BWZBUEFSSA-N 259.256 0.124 0 50 CCAA Cc1cc2c(cc1C)[C@H](C(=O)NC1(C(N)=O)CC1)CO2 186391004 VDXYVBULCBGXTR-LLVKDONJSA-N 274.320 0.914 0 50 CCAA O=C(O)[C@@H](C1CC1)N1CCN(CC2CCOCC2)CC1 635015192 DSJZMRGHFUKHIV-CQSZACIVSA-N 282.384 0.894 0 50 CCAA CC(C)N1CC[C@H](NC(=O)c2cccc3nn[nH]c23)C1=O 187990192 WZTGCPNTPKUWCA-NSHDSACASA-N 287.323 0.697 0 50 CCAA CCc1[nH]ccc1C(=O)N1CCC[C@]1(COC)C(=O)NC 644061127 KJJOJPQHTGQHTF-HNNXBMFYSA-N 293.367 0.944 0 50 CCAA CO[C@@H]1CN[C@H](C(=O)N2CCC(Cn3cccn3)CC2)C1 583618194 KLMNOUFSNHBRJZ-KBPBESRZSA-N 292.383 0.499 0 50 CCAA CCN(CCO)c1ccnc(N(CC)CCO)n1 742270662 IAOCBVSJTANZRO-UHFFFAOYSA-N 254.334 0.114 0 50 CCAA O=C(O)c1cccc(CNCCN2CCCC[C@H]2CO)n1 1506422644 FITVMOWMYOHIQY-ZDUSSCGKSA-N 293.367 0.716 0 50 CCAA CNc1ccccc1C(=O)NC[C@]1(O)CCO[C@@H]1C 227184169 INIHRLIKWDMGAV-QMTHXVAHSA-N 264.325 0.998 0 50 CCAA O=C(O)[C@@H]1CCCN(C(=O)c2ccc3nncn3c2)C1 117107084 USDBURYJBSHMRC-SNVBAGLBSA-N 274.280 0.666 0 50 CCAA CCOC(=O)CNC(=O)c1cc(-c2ccc[nH]2)n[nH]1 169773432 XDDLLXSOMIILAR-UHFFFAOYSA-N 262.269 0.698 0 50 CCAA O=C([C@@H]1C[C@@H](O)CN1)N1CCO[C@@H](c2ccc(F)cc2)C1 225537231 IFOLYWLOEJABIY-HZSPNIEDSA-N 294.326 0.448 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccc(C)o2)C1 644030373 FIFPFFDJAUXISH-CQSZACIVSA-N 280.324 0.691 0 50 CCAA CN1CCCN(CC(=O)NCC(=O)O)c2ccccc21 263577608 RPQJGHJXDSFOJZ-UHFFFAOYSA-N 277.324 0.534 0 50 CCAA COCc1cccc(CN2CCNC(=O)CC23CNC3)c1 903774537 NHRCFEOFNVRECB-UHFFFAOYSA-N 289.379 0.497 0 50 CCAA NC(=O)[C@H]1CCCN(C(=O)c2cc3cnccc3[nH]2)C1 929343705 MQNLENWOWLNQTD-VIFPVBQESA-N 272.308 0.900 0 50 CCAA Cc1cc(C(=O)Nc2nc3n(n2)CCCC3)cnn1 1120655688 GJPYMYXCJUUCFG-UHFFFAOYSA-N 258.285 0.965 0 50 CCAA CCn1cc(CCNC(=O)c2ccc(C(=O)O)cc2)nn1 1875273532 HDIOCEZUOMWPRE-UHFFFAOYSA-N 288.307 0.969 0 50 CCAA CS(=O)(=O)NC(=O)c1cnn(-c2ccc(F)cc2)n1 1875390981 IPPYVFDVZDIZCB-UHFFFAOYSA-N 284.272 0.096 0 50 CCAA O[C@@H]1CN([C@@H]2Cc3ccccc3[C@H]2O)C[C@H]1n1ccnn1 1775957944 UJXJXXDVEWDWDD-KBUPBQIOSA-N 286.335 0.154 0 50 CCAA CC(C)N1C[C@@H](C(=O)N2CC(OC(F)F)C2)CC1=O 1775996542 FMWYBOFERBWWDT-QMMMGPOBSA-N 276.283 0.693 0 50 CCAA CC[C@H](C)NC(=O)Cn1cnc2cn(C)cc2c1=O 1775992939 WXOTWGUQVIFRRG-VIFPVBQESA-N 262.313 0.650 0 50 CCAA O=C(O)C1(C(=O)N[C@H]2COc3ccccc3C2)CC1 154797277 WIOFNHZOEKZANP-SNVBAGLBSA-N 261.277 0.971 0 50 CCAA CCC[C@H](CNC(=O)c1cnc(N)nc1C)N(C)C 534664647 NTIHPSDUYGGLKW-SNVBAGLBSA-N 265.361 0.827 0 50 CCAA O=C(O)CN(C1CCC1)S(=O)(=O)c1cccnc1 653495434 MPNOXCHBFUVVTR-UHFFFAOYSA-N 270.310 0.709 0 50 CCAA O=C(O)Cc1ccc(CN2C[C@@H](O)[C@H](F)C2)cc1 1529100014 MGMOZHMJNDZKRY-VXGBXAGGSA-N 253.273 0.828 0 50 CCAA Cc1cccc(CN2C[C@H]3COC[C@@]3(C(=O)O)C2)n1 1574398747 TXPGDVVPOJUWPV-FZMZJTMJSA-N 262.309 0.923 0 50 CCAA Cn1ccc(CN2CCNC[C@@H]2c2ccncc2)cc1=O 2325805145 STAMKKZECJJUCH-OAHLLOKOSA-N 284.363 0.927 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 113119 QPPHUXXOFJHSIQ-SECBINFHSA-N 263.249 0.848 0 50 CCAA CCOC(=O)C1=C(C)O[C@]2(O)c3ccccc3C(=O)[C@]12O 187381 UGGKRXKFQMVAEG-HUUCEWRRSA-N 290.271 0.626 0 50 CCAA CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 392100 YDWGBBWQTBCBMM-UHFFFAOYSA-N 299.334 0.538 0 50 CCAA S=C(Nc1ccc2c(c1)OCO2)Nn1cnnc1 611128 NTZDOCCXALPETO-UHFFFAOYSA-N 263.282 0.947 0 50 CCAA CC(=O)c1ccc(C(=O)NCCN=c2nc[nH]n2C)s1 2356159059 KANRGGVJIBSKDB-UHFFFAOYSA-N 293.352 0.343 0 50 CCAA CCc1ocnc1C(=O)N1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2356167469 PNQDEYVNBACRAY-YOLKCXPHSA-N 292.335 0.849 0 50 CCAA Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCO2)cc1 2966619 OVULKDCFIBMZEL-ZDUSSCGKSA-N 276.336 0.906 0 50 CCAA CN(Cc1noc(C2CCCC2)n1)C(=O)Nc1nnn[nH]1 23231529 NVZFPTAKQNEFOL-UHFFFAOYSA-N 292.303 0.904 0 50 CCAA C[C@@H]1CN([C@H](C)CNC(=O)[C@H]2CCCO2)C[C@@H](C)O1 247984778 IJUMMMLZFSZDTC-FDYHWXHSSA-N 270.373 0.779 0 50 CCAA O=c1[nH]c(CN2CCN(CCO)CC2)nc2ccccc12 22938315 GWTBXQQPVRNIPZ-UHFFFAOYSA-N 288.351 0.033 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(F)c(F)c1 67755951 GASFTHDOTCONMY-KCJUWKMLSA-N 283.278 0.253 0 50 CCAA NCC[C@@H](NC(=O)c1cncc(-n2ccnn2)c1)C(F)F 423675030 HMDNRBMZZGQCSG-SNVBAGLBSA-N 296.281 0.375 0 50 CCAA COCc1nn(CC2(CS(C)(=O)=O)CCC2)c(=O)o1 331604874 VYDOBAAQJVGVKQ-UHFFFAOYSA-N 290.341 0.198 0 50 CCAA CN(CC(=O)N1CCOC[C@@H]1C1CC1)CC1(O)CCCC1 367286282 NHAZLIBFOPOEID-CQSZACIVSA-N 296.411 0.861 0 50 CCAA CC(=O)N1CC[C@](C)(C(=O)Nc2ccc3nncn3c2)C1 367693454 IENGMLMQJTVZNY-AWEZNQCLSA-N 287.323 0.926 0 50 CCAA C[C@@H](C(=O)NCCN1CCC(O)CC1)N1CCCCCC1 333969486 USSGPPYIPAEJLF-AWEZNQCLSA-N 297.443 0.824 0 50 CCAA O=C(C[C@@H]1CNCCO1)NCCOc1ccccc1F 215490778 JFQHKQMMGBOYEL-LLVKDONJSA-N 282.315 0.699 0 50 CCAA O=S(=O)(c1cccc(F)c1F)N1CCNCC1 237806077 XDJDEGLLQVGJAW-UHFFFAOYSA-N 262.281 0.559 0 50 CCAA Cc1nc2ccccn2c(=O)c1CCn1ccnn1 241588295 PBSKJSPXFCOKKH-UHFFFAOYSA-N 255.281 0.837 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2noc3c2CCCC3)CCO1 263065002 YUBRRORPFUALBY-JTQLQIEISA-N 280.280 0.479 0 50 CCAA CC(C)CN1CC[C@H](C(=O)N(C)[C@@H](C)C(=O)O)C1 521366017 USUVFIIDQKMBHL-QWRGUYRKSA-N 256.346 0.896 0 50 CCAA Cc1cnccc1CNC(=O)CCN1CCN(C)CC1 221447833 WFCHXQQAJXITLI-UHFFFAOYSA-N 276.384 0.644 0 50 CCAA NC(=O)CCn1cc(I)cn1 47218732 CQBGMDUOEZKOBT-UHFFFAOYSA-N 265.054 0.363 0 50 CCAA Cc1cnn(CCCNC(=O)CN2CC[C@@H](N(C)C)C2)c1 223284734 AKNACYIFPTTZEL-CQSZACIVSA-N 293.415 0.334 0 50 CCAA Cc1cnc(CN(C)C(=O)[C@H](C)N2CCN(C)CC2)[nH]1 426571454 JCJBYJBBFSAFRH-LBPRGKRZSA-N 279.388 0.312 0 50 CCAA CC[C@H]1COCCN1S(=O)(=O)c1c(C)nn(C)c1C 82138323 DLKDKWOBOAZHST-NSHDSACASA-N 287.385 0.836 0 50 CCAA Cn1cc(CC(=O)NCc2ccn3ccnc3c2)cn1 178350859 PIYMXVLBUAKQNN-UHFFFAOYSA-N 269.308 0.927 0 50 CCAA CSc1ccccc1[C@H](C(=O)O)N1CCNC(=O)C1 95384711 PAJOZXUURIZDQO-GFCCVEGCSA-N 280.349 0.966 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)/C=C/C(N)=O)cc1 143436977 XKJKZMFYPYPYMK-VOTSOKGWSA-N 268.294 0.418 0 50 CCAA COCCN1C[C@@H](Cc2cc(CO)ccn2)CC1=O 244723532 MDIPFELVLAVLQO-LBPRGKRZSA-N 264.325 0.611 0 50 CCAA CCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 247965765 QKIYMDNBGNAZDY-NJWMAWPNSA-N 299.330 0.447 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)NCc1n[nH]c2c1CCC2 244899698 ZOGOJXPGNZBISO-VIFPVBQESA-N 274.328 0.442 0 50 CCAA CCCC(=O)N1CCC(NCc2nc(N)n[nH]2)CC1 534637758 AAQJKMKSSKPANZ-UHFFFAOYSA-N 266.349 0.268 0 50 CCAA C[C@H]1CCCN1Cc1cnc(N(C)CC(=O)O)nc1 534639966 GKCFAPAAQCQPDQ-JTQLQIEISA-N 264.329 0.982 0 50 CCAA CNC(=O)C1(NC(=O)c2n[nH]nc2C)CCCCC1 299761318 IWOAVLHEVPJRAG-UHFFFAOYSA-N 265.317 0.292 0 50 CCAA Cc1n[nH]nc1C(=O)NC1(CN2CCCCC2)CC1 299770377 SNHJYZNHJKQUOW-UHFFFAOYSA-N 263.345 0.861 0 50 CCAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)CN1CCOCC1)C2 584902314 NPCXYCLKXSJFMA-KBPBESRZSA-N 281.400 0.261 0 50 CCAA CN(C)[C@@H]1C[C@H]2C(=O)N[C@@H](c3ccccc3)C(=O)N2C1 823727389 RTWDZHRMNCHFBH-AGIUHOORSA-N 273.336 0.389 0 50 CCAA CN(C[C@H]1CCOC1)C(=O)CCN1CCCC1=O 670457481 OJTLYQBRIVTIJG-LLVKDONJSA-N 254.330 0.494 0 50 CCAA CCn1cncc1CN1C[C@H](O)[C@@H](N2CCCC2)C1 215843487 IETHTMGFABHZNA-KBPBESRZSA-N 264.373 0.544 0 50 CCAA COCCn1ccnc1CN1C[C@@H]2CNC[C@@H]2C1 216082885 SLOIPJUXOPAKJD-TXEJJXNPSA-N 250.346 0.181 0 50 CCAA CCC(CC)N1C[C@@H](C(=O)NCC(=O)OC)CC1=O 170621145 CVAUSWFIDVLKFI-VIFPVBQESA-N 270.329 0.313 0 50 CCAA COCc1n[nH]c(CNC(=O)N2C[C@H](C)N(C)[C@H](C)C2)n1 666114943 ANGBDYIIYKJDLL-AOOOYVTPSA-N 296.375 0.185 0 50 CCAA Cc1cc(NC(=O)Cn2cc(F)ccc2=O)n(C)n1 190751228 QZPLCQOSYRAOTO-UHFFFAOYSA-N 264.260 0.668 0 50 CCAA COC[C@@]1(C(=O)NCc2ccncc2C)CCCN1 643778572 MUBATJTXUBPLLP-CQSZACIVSA-N 263.341 0.775 0 50 CCAA O=C(NC[C@H]1CCO[C@H]1C(=O)O)c1ccsc1 715134965 AWKMKELGJYPKJG-VXNVDRBHSA-N 255.295 0.968 0 50 CCAA COCCN1C(=O)N[C@H]2CN(Cc3cc[nH]n3)CC[C@H]21 660794684 KNPQRJJBZLNTQV-NWDGAFQWSA-N 279.344 0.024 0 50 CCAA O=C([C@@H]1OCC[C@@H]1Cn1ccnc1)N1CCCNCC1 662396529 XDOVYYCXZVQYEV-CHWSQXEVSA-N 278.356 0.110 0 50 CCAA O=C(C[C@H]1CNCCO1)N1CCC(N2CCCC2)CC1 91309792 OQMDLLMVLPRZIJ-AWEZNQCLSA-N 281.400 0.452 0 50 CCAA Cc1nccn1CC(=O)N[C@H](CC(=O)O)C(C)C 223427899 RABYLFWNJDJHTK-SNVBAGLBSA-N 253.302 0.807 0 50 CCAA Cn1cncc1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529188775 CJSWXBFVQCWCMH-OLZOCXBDSA-N 286.335 0.803 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)c2cccnc2)[C@H]1CN 252136667 LOQVXMYLCLHXAP-JQWIXIFHSA-N 269.370 0.830 0 50 CCAA Cc1nsc(N2CCCC[C@@H]2CNS(C)(=O)=O)n1 678392639 PULGKDFHSCJNAY-SECBINFHSA-N 290.414 0.755 0 50 CCAA O=C(NN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1cccnc1 12438629 SNZDEDFVINMDFY-GHMZBOCLSA-N 273.292 0.902 0 50 CCAA CN1CCN(C[C@H](O)COc2ccccc2)CC1 19805903 STFMPAUQEZXGJC-ZDUSSCGKSA-N 250.342 0.674 0 50 CCAA O=C(O)C[C@@H](Sc1nnc(S)s1)C(=O)O 4267504 YUMSRJNRCPVTBZ-UWTATZPHSA-N 266.325 0.847 0 50 CCAA CC(=O)Nc1ccc(OC[C@@H](O)CN2CCOCC2)cc1 20029108 URLVPNGRTJVDCA-AWEZNQCLSA-N 294.351 0.717 0 50 CCAA COCc1cn(Cc2nnnn2C(C)(C)C)nn1 900553329 KIMAGWHKXUWHDQ-UHFFFAOYSA-N 251.294 0.214 0 50 CCAA CCc1cccnc1-c1noc([C@@H]2CN(C)C(=O)CN2)n1 904607764 ROWUTEIGWTWNHR-JTQLQIEISA-N 287.323 0.797 0 50 CCAA CN(C(=O)c1c2c(nn1C)CCC2)C1CCNCC1 911691827 DQPXFUSDNPLFMM-UHFFFAOYSA-N 262.357 0.733 0 50 CCAA CC(C)n1ccc(CC(=O)NC2CCNCC2)n1 832213649 ZYZKWWPFXRXZIH-UHFFFAOYSA-N 250.346 0.875 0 50 CCAA CO[C@@H]1C[C@H](CNC(=O)C2(F)CC2)N(c2ccncn2)C1 952887045 JJLBRUCCCQSJQP-GHMZBOCLSA-N 294.330 0.689 0 50 CCAA CN(Cc1nc(O)n[nH]1)C(=O)c1cnc2n1CCCCC2 1875396637 PMNWKMPNLKHRAI-UHFFFAOYSA-N 290.327 0.705 0 50 CCAA Cn1cnnc1C[C@]1(O)CCCN(Cc2ccco2)C1 886089065 UIUITHFGOFNVTC-CQSZACIVSA-N 276.340 0.978 0 50 CCAA Cc1ccccc1CC(C)(C)NC(=O)[C@H](N)CO 888095967 LLUCSOUXKKKHSH-GFCCVEGCSA-N 250.342 0.752 0 50 CCAA C[C@@H]1CN(c2ncncc2Cl)C[C@H]1CS(N)(=O)=O 896895200 MHXGJXNMMLIBSZ-SFYZADRCSA-N 290.776 0.491 0 50 CCAA O=C1N[C@H](C2CCCCCC2)C(=O)N[C@@H]1Cc1cnc[nH]1 1775987215 XFUJUKPGAJGCEQ-CHWSQXEVSA-N 290.367 0.906 0 50 CCAA COCC1CCC(On2cccn2)(C(=O)O)CC1 1776004757 WOOKMTMPQKGAAV-UHFFFAOYSA-N 254.286 0.972 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)CCOC(C)C 717711510 SMZYGHDHRYSPQS-ZDUSSCGKSA-N 273.329 0.894 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)Cc1cccc(Cl)c1 211304495 HULJIRPVJCSRKZ-NWDGAFQWSA-N 268.744 0.986 0 50 CCAA O=c1c2cnc3ncnn3c2ccn1C[C@@H]1CCCO1 9048628 WUHHYVWKNBFWCM-VIFPVBQESA-N 271.280 0.618 0 50 CCAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N(C(=O)Cc1ccon1)C2 2325799770 WSRDNGHHORRNIR-IEBDPFPHSA-N 264.281 0.929 0 50 CCAA N[C@@H](Cc1ccccc1Cl)C(=O)Nc1cnn[nH]1 2325840452 AUGDWNHCAOYIFV-VIFPVBQESA-N 265.704 0.967 0 50 CCAA O=C(O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 167451 PTCRANCXVJYTOZ-NSHDSACASA-N 269.322 0.543 0 50 CCAA CC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 190607 VPKDMMVZORPXFJ-UHFFFAOYSA-N 269.322 0.910 0 50 CCAA O=C(CS(=O)(=O)c1ccccc1)Nc1nncs1 1018833 ILFNFLLUUPMUEG-UHFFFAOYSA-N 283.334 0.951 0 50 CCAA CCOC(=O)[C@@H](C)CNC(=O)C[C@@H]1CSCCN1 132966488 WNCTWTYSFFDMCC-VHSXEESVSA-N 274.386 0.397 0 50 CCAA NC(=O)COc1ccc(C(=S)N2CCOCC2)cc1 4866764 FIOBEAIHCPTFJD-UHFFFAOYSA-N 280.349 0.558 0 50 CCAA CN(C)CCCn1ccc2c(cnc3ncnn32)c1=O 9290472 KZVHQVKMEAWYHY-UHFFFAOYSA-N 272.312 0.391 0 50 CCAA CN1CCN(CCCNC(=O)c2ccco2)CC1 20726878 YVWQHSARKDRVLS-UHFFFAOYSA-N 251.330 0.647 0 50 CCAA O=C(COCC(F)(F)F)N1C[C@@H](F)C[C@H]1CO 347431663 OIWQZYMKDTVVSA-BQBZGAKWSA-N 259.199 0.497 0 50 CCAA NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 65739599 VXIWZOWWQMRVRF-NSHDSACASA-N 295.314 0.946 0 50 CCAA in-vitro CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cnn[nH]1 219282979 JQBRCRGRJANLTD-ZYHUDNBSSA-N 280.328 0.675 0 50 CCAA Cn1cnc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c1 328668796 FKENAATZUWJOQZ-LLVKDONJSA-N 263.297 0.240 0 50 CCAA COCCN(C(=O)c1nccnc1N)[C@@H]1CCO[C@@H]1C 331214506 UTPSRTHSTVUHTK-NXEZZACHSA-N 280.328 0.325 0 50 CCAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2CCC[C@H]12 211749287 CNHLCVOIQYIJRM-QWHCGFSZSA-N 274.320 0.693 0 50 CCAA CN1CCC[C@@H]1C(=O)N1CCC[C@H]1Cn1cccn1 257365628 BDCQWHFLPYGNGG-QWHCGFSZSA-N 262.357 0.968 0 50 CCAA O=C1CN(C(=O)NC2CC(N3CCCCC3)C2)CCN1 334143830 UPBVGYGWZDODPB-UHFFFAOYSA-N 280.372 0.145 0 50 CCAA COCCn1ccnc1CN1CCC[C@H](NC(C)=O)C1 215628247 RTYZJOMQPLUCLR-ZDUSSCGKSA-N 280.372 0.630 0 50 CCAA COc1cnc(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)nc1 495813474 HSIQBWZBPBRGQF-SCZZXKLOSA-N 292.295 0.056 0 50 CCAA C[C@@H](Cc1cnn(C)c1)NC(=O)N[C@@H]1CCCN(C)C1=O 527990882 RPXBKYSPYNGLFJ-CMPLNLGQSA-N 293.371 0.271 0 50 CCAA CC[C@H](NC(=O)c1cnc(N)nc1C)C1CC(O)C1 222571989 BPTIUOOCTVLDFX-AMUVOQDHSA-N 264.329 0.647 0 50 CCAA CN(CCc1ncon1)C(=O)c1cc(C2CC2)[nH]n1 426574945 CINXPUHNEKFPFH-UHFFFAOYSA-N 261.285 0.985 0 50 CCAA CC(C)N1CCC[C@H](CNC(=O)NCc2nn[nH]n2)C1 426619970 DQYGPVAMAMSSOY-SNVBAGLBSA-N 281.364 0.119 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)N1CC(O)C1 91410805 IVZZVPCVNINXNH-UHFFFAOYSA-N 251.330 0.918 0 50 CCAA COc1coc(C(=O)NCC2CCOCC2)cc1=O 336956926 WOLLEONUNCKFEQ-UHFFFAOYSA-N 267.281 0.805 0 50 CCAA CCCc1cc(C(=O)NCCc2nnc(N)s2)[nH]n1 91536332 ZHYGSQSJVKTEBW-UHFFFAOYSA-N 280.357 0.768 0 50 CCAA CCOc1nccnc1N1CC[C@@H](S(=O)(=O)NC)C1 542828897 QZWYDJPRFCTVTC-SECBINFHSA-N 286.357 0.003 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3C4C5[C@]6(CCC[C@@]516)[C@@H]2[C@@H]43 248021148 HZYORRWLOHIHCH-CSHUCAPDSA-N 257.293 0.120 0 50 CCAA COCCN(CC(=O)O)C(=O)[C@H]1CC12CCOCC2 299746314 WPDFJNIIGBAJAJ-SNVBAGLBSA-N 271.313 0.363 0 50 CCAA CCC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 298788103 XXKNYPJOEOXQQP-UHFFFAOYSA-N 262.313 0.239 0 50 CCAA Cc1nccn1CCCC(=O)N1CCN2C(=O)OC[C@H]2C1 299765785 AZXURGKWPRHZIN-GFCCVEGCSA-N 292.339 0.635 0 50 CCAA COCCOC1CCN(C[C@H]2CCC(=O)O2)CC1 824445127 XWNFRYWGZPFQLI-GFCCVEGCSA-N 257.330 0.819 0 50 CCAA CN(C)C(=O)NCC(=O)N1CC[C@H](N2CCCCC2)C1 584892820 RRUUEYXHYLUTHV-LBPRGKRZSA-N 282.388 0.344 0 50 CCAA CC1(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)CC1 584889834 VELJLDKGTUICCR-RYUDHWBXSA-N 252.358 0.844 0 50 CCAA Cc1nnnn1CCC(=O)N(C)Cc1cc(C2CC2)on1 584898424 YSYUFALVLCFNOL-UHFFFAOYSA-N 290.327 0.896 0 50 CCAA Nc1ncc(CN2CCN(Cc3cccc(O)c3)CC2)cn1 584889830 TULKXHRAYWTXOD-UHFFFAOYSA-N 299.378 1.082 0 50 CCAA CCS(=O)(=O)[C@@H](C)C(=O)N(C)CC1(CO)CCCC1 584899777 SAKPBHLQEZSAIW-NSHDSACASA-N 291.413 0.821 0 50 CCAA OCC(CO)N[C@H](Cn1cccn1)c1ccccc1 584898023 VFWVQGIOAOCTMF-CQSZACIVSA-N 261.325 0.567 0 50 CCAA CC[C@@H](c1ccnn1C)n1cnc2nccnc2c1=O 584890885 CVAFMLIJRADBSC-VIFPVBQESA-N 270.296 0.919 0 50 CCAA COc1ccnc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1 584889390 OYVFMTABQAXHKW-VIFPVBQESA-N 277.280 0.367 0 50 CCAA CC[C@H](NC(=O)CNS(C)(=O)=O)c1ccc(C)cn1 584903349 DDCSQRMDVBYBRW-JTQLQIEISA-N 285.369 0.507 0 50 CCAA Cc1c(CN[C@H](C)CNS(=O)(=O)C2CC2)cnn1C 584884375 GOWRZQYCNNNIIO-SECBINFHSA-N 286.401 0.288 0 50 CCAA O=C(c1ccccc1)N1CCN(CCn2cnnc2)CC1 670461040 PKNIXJTWSNGMLH-UHFFFAOYSA-N 285.351 0.736 0 50 CCAA Cc1[nH]ccc1C(=O)N1CCC2(CC1)CN(C)C(=O)CO2 670470295 BFPCSTDGWOHJQU-UHFFFAOYSA-N 291.351 0.787 0 50 CCAA Cn1nncc1CNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 1362664044 ICAYKTGZGSHQAQ-QWHCGFSZSA-N 272.308 0.941 0 50 CCAA CC(=O)c1c(C)nn(CCC(=O)N2C[C@@H](O)[C@H](F)C2)c1C 952979992 BOWPTEYQGNBLQE-VXGBXAGGSA-N 297.330 0.634 0 50 CCAA OC[C@H]1CCCCN1CCNc1ncc(F)cn1 952981762 VAXNMTMFJIMYCO-LLVKDONJSA-N 254.309 0.874 0 50 CCAA CCC(=O)N1CSC[C@H]1C(=O)N(C)C[C@@H](C)O 408241331 VOKOZLJOHMTKKK-BDAKNGLRSA-N 260.359 0.137 0 50 CCAA COc1cc(C(=O)NC[C@H]2CCNC[C@@H]2O)ccc1F 1565508083 MFEVDVCIUBPSQQ-PWSUYJOCSA-N 282.315 0.535 0 50 CCAA C[C@H]1CCOCCN1c1cncc(OCCO)n1 302519217 AQJUAPJFHQSXCV-JTQLQIEISA-N 253.302 0.463 0 50 CCAA Cn1ccnc(N2CCC[C@H](N[C@@H]3CCOC3)C2)c1=O 275486422 ISCSAHZJBBJRON-NWDGAFQWSA-N 278.356 0.128 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cncc2ncn(C)c12 630391991 IDOQGUXVCBTBEA-SCZZXKLOSA-N 287.323 0.365 0 50 CCAA Cc1ccc(OCCN2CCN(CCO)CC2)cc1 40456305 NTNLCUUDUCOPCT-UHFFFAOYSA-N 264.369 0.984 0 50 CCAA CCN1CCN(C(=O)CCc2ccncn2)C(C)(C)C1=O 277561748 KAMGOZAPULHDAP-UHFFFAOYSA-N 290.367 0.879 0 50 CCAA CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cn(C(C)(C)C)nn1 191477839 NBPVQPZFISBXLI-NSHDSACASA-N 293.371 0.726 0 50 CCAA CCOc1cncc(N2C[C@H](C(N)=O)CC[C@@H]2C)n1 195575006 RAHROYNPRCCGDY-VHSXEESVSA-N 264.329 0.966 0 50 CCAA COC(=O)c1ccnc(CN[C@@](C)(C(N)=O)C(C)C)c1 1615572478 UTSDUOQCHPQPHY-CQSZACIVSA-N 279.340 0.858 0 50 CCAA COc1cccn2ncc(C(=O)N3C[C@@H]4CC[C@]4(N)C3)c12 1615544921 BRXMYWYDXOAOBU-BONVTDFDSA-N 286.335 0.906 0 50 CCAA O=C(Cc1cccc(Cl)c1)N[C@]1(C(=O)O)C[C@H](O)C1 1601366882 PZJUCWRFDCGLMT-GSJFWJNXSA-N 283.711 0.977 0 50 CCAA C[C@@H](CS(=O)(=O)N(C)C)Nc1cnn(CC(F)F)c1 1616040831 FTZHOWHRYXVCDK-QMMMGPOBSA-N 296.343 0.840 0 50 CCAA O=C1CCCN1CCN1CCN(CC2CC2)[C@H](CCO)C1 1506400274 CNKDTOFIFCVCCV-OAHLLOKOSA-N 295.427 0.387 0 50 CCAA O=C(O)c1ccc(NCCN2CCC[C@H](CO)C2)nn1 1506399667 CDAJXFSQTAKDFS-JTQLQIEISA-N 280.328 0.291 0 50 CCAA CCOCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529119893 NSNRAGHYJNWKLQ-CHWSQXEVSA-N 264.325 0.792 0 50 CCAA Cn1cc(Br)c(C(=O)NCCC(=O)O)n1 3162981 RQBMNHZSNHZLPC-UHFFFAOYSA-N 276.090 0.387 0 50 CCAA CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccccc2)C1 225802261 LIHGTVLLSHSKKR-LBPRGKRZSA-N 283.397 0.211 0 50 CCAA Cc1nc(NC[C@@H](O)CO)ccc1Br 232176336 NLZRJJWQVLEIJV-SSDOTTSWSA-N 261.119 0.918 0 50 CCAA CC(C)[C@]1(CO)CCCN(Cc2nnnn2C)C1 339699371 COUZIHOVUNFZBL-GFCCVEGCSA-N 253.350 0.441 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 227727000 CCEOHBAZAYVOCH-TUAOUCFPSA-N 291.417 0.024 0 50 CCAA CCCn1nccc1NC(=O)N[C@H](CO)CCOC 253396889 MGIBTCXVTPTYJI-JTQLQIEISA-N 270.333 0.812 0 50 CCAA Cn1nccc1COCC(=O)N1CCC[C@H](CCN)C1 580190670 GMRANOWKWXHUQW-GFCCVEGCSA-N 280.372 0.524 0 50 CCAA CCCOCCN1CCN(C[C@@H]2CCC(=O)N(C)C2)CC1 1775981641 BPUKVXMLKRTKPL-OAHLLOKOSA-N 297.443 0.899 0 50 CCAA OCCOc1ccc(CN2C[C@H]3[C@H](C2)C3(CO)CO)cc1 1772805919 RMGXSODVZIIUCS-GJZGRUSLSA-N 293.363 0.090 0 50 CCAA CN1CC[C@@H]2CN(c3nnc4ccccn34)C[C@@H]2C1=O 1772819388 SVFTWQGJRHRGJX-MNOVXSKESA-N 271.324 0.644 0 50 CCAA Cn1nc(O)cc1C(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 1857527882 VRYCOSKGHSUTFL-AEJSXWLSSA-N 265.313 0.359 0 50 CCAA O=C(O)Cn1ccc(=NC(=O)c2cnn(CC3CC3)c2)[nH]1 630134332 ACKHMMRSVSIAFK-UHFFFAOYSA-N 289.295 0.248 0 50 CCAA O=C(NC[C@H]1COCCO1)c1ccc(Cl)cn1 330825593 OOIDAVLQLVZGHA-VIFPVBQESA-N 256.689 0.880 0 50 CCAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C1(C(=O)O)CC1 154930367 XSCSHLFDUTWVJI-QMMMGPOBSA-N 279.340 0.949 0 50 CCAA C[C@@H](Nc1[nH]c(=N)nc2c1cnn2C)c1cnnn1C 1875267040 GOOBLQYCBKNHFV-ZCFIWIBFSA-N 273.304 0.077 0 50 CCAA O=S(=O)(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cn[nH]c1 1875255985 JQVNNIBRUFNENF-KOLCDFICSA-N 287.341 0.026 0 50 CCAA O=C([C@@H]1CCCN1[C@@H]1CCS(=O)(=O)C1)N1CCCC1 1875254880 QBDBESFVGXQWOL-NEPJUHHUSA-N 286.397 0.260 0 50 CCAA CCN1CC[C@@H](NC(=O)/C=C/CN(C)C)C(F)(F)C1 1875376549 ASEJSWKXFLSIGA-MVIFTORASA-N 275.343 0.950 0 50 CCAA O=C([C@H]1CNCCOC1)N1CCc2ccccc2CC1 643693753 YOQKJJAJPWMFEP-HNNXBMFYSA-N 274.364 0.850 0 50 CCAA O=C(Cc1ccccc1)N1CCC[C@](O)(C(=O)O)C1 386819835 QTEUGRXKKKCHFX-CQSZACIVSA-N 263.293 0.667 0 50 CCAA N=C(N)NC(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1 2325840788 QFISIIZGUMHKMM-JTQLQIEISA-N 284.323 0.517 0 50 CCAA CCOC(=O)CN1C(=O)c2ccccc2S1(=O)=O 297517 YKCQHUPTHHPHGX-UHFFFAOYSA-N 269.278 0.394 0 50 CCAA in-vitro Cc1nc(=NCc2nnc3n2CCC3)[nH]c(C)c1C 2356148440 WOPTYWQYJYLAFN-UHFFFAOYSA-N 258.329 0.974 0 50 CCAA CC[C@H](C)NC(=O)C(=O)NC[C@H]1COc2ccccc2O1 4185198 MGYIPNGCRNEGHP-QWRGUYRKSA-N 292.335 0.857 0 50 CCAA CNC(=O)[C@@H](CO)NC(=O)c1ccc(C)c(C)c1 225604130 QBMNKDOFEIQKNJ-LLVKDONJSA-N 250.298 0.140 0 50 CCAA CCC(N)(CC)CNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 418436541 IISQXXRRRDWANS-CQSZACIVSA-N 296.415 0.816 0 50 CCAA CCN(CC)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 111252755 MXKXREHWUJIXIH-RKDXNWHRSA-N 264.347 0.226 0 50 CCAA O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNCCO 67446892 SIWDZUZESULCAT-MRXNPFEDSA-N 292.379 0.165 0 50 CCAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCOC[C@H](O)C1 77426715 NMCASZKBBXUPDK-CYBMUJFWSA-N 287.319 0.910 0 50 CCAA CO[C@H](C)CC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328637336 VWRXKUOUKIBRKY-GHMZBOCLSA-N 266.345 0.650 0 50 CCAA Cc1cc2c(N3CCO[C@H](Cn4cncn4)C3)nccn2n1 330046266 IOXPKXJCANLXDF-LBPRGKRZSA-N 299.338 0.535 0 50 CCAA Cc1cc(C)c(C(=O)NCCc2nnc(N)s2)c(=O)[nH]1 219433170 JNCHULGMWMDPRN-UHFFFAOYSA-N 293.352 0.398 0 50 CCAA CO[C@H](C(=O)N(C)c1cnn(C)c1)c1cnn(C)c1 330382350 IXSPEFKQVWZHKO-NSHDSACASA-N 263.301 0.504 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H](C)N1 153537543 VHUZADZIUJELQA-IUCAKERBSA-N 262.313 0.003 0 50 CCAA COCC[C@@H]1COCCN1C(=O)C1CCC(O)CC1 368289512 YUZRIOXHEVOPTG-OTTFEQOBSA-N 271.357 0.801 0 50 CCAA CNC(=O)CC(=O)N1C[C@@H](OC)Cc2ccccc21 335702421 QIMQOVXNYCZSEK-NSHDSACASA-N 262.309 0.727 0 50 CCAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)COC(C)C)C1 284602233 NDSPDDHNPDANFN-ZJUUUORDSA-N 268.317 0.518 0 50 CCAA Cc1cc(C[C@H](C)NC(=O)C(=O)c2cccn2C)[nH]n1 220001443 KEINMSNHCNEBRH-VIFPVBQESA-N 274.324 0.987 0 50 CCAA O=C1C[C@]2(CCN(Cc3cccc4nonc34)C2)C(=O)N1 82092271 HOEVVZQDPKGWEH-AWEZNQCLSA-N 286.291 0.461 0 50 CCAA NC(=O)[C@H]1CCCC[C@@H]1NC(=O)CN1CCCCCC1=O 177774948 BYDUFYZWJSVOFA-RYUDHWBXSA-N 295.383 0.549 0 50 CCAA CN(Cc1cnccn1)c1cc([C@H]2CCOC2)nc(N)n1 426361339 QMICNXWARTVURK-JTQLQIEISA-N 286.339 0.989 0 50 CCAA Cc1ccn2c(C(=O)NCc3n[nH]c4c3CCC4)nnc2n1 426728239 IEFJRGIXVIYWDY-UHFFFAOYSA-N 297.322 0.575 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)[C@@H]1CNCCO1 43798967 WKGCRTWVFVOOIV-NSHDSACASA-N 253.302 0.238 0 50 CCAA CC1(C)O[C@@H]2C(=O)O[C@@H]3COC(C)(C)O[C@@H]3[C@@H]2O1 43763364 GAWJWSHHBYXDLM-XGEHTFHBSA-N 258.270 0.583 0 50 CCAA CC(C)(NC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1nnc(N)s1 426662037 BXVHHYAULJCSSR-NKWVEPMBSA-N 298.368 0.973 0 50 CCAA CN(C)C(=O)N1CCC(C(=O)N2CC=C[C@@H]2C(=O)O)CC1 426489512 HPMGFYOBAKBYQB-LLVKDONJSA-N 295.339 0.232 0 50 CCAA CC[C@H](C(=O)NCCn1nc(C)nc1C)n1cccn1 91965253 AXYRIBWNQSCHNI-GFCCVEGCSA-N 276.344 0.859 0 50 CCAA Cc1cc(C(=O)N(C)[C@@H]2CCNC2)c2cnn(C)c2n1 179063801 XPGDOWCHJXSYLZ-SNVBAGLBSA-N 273.340 0.711 0 50 CCAA O=C(Cc1ccc(-n2cnnn2)cc1)N(C1CC1)C1COC1 295755159 NQVUMUYUFQKVKP-UHFFFAOYSA-N 299.334 0.595 0 50 CCAA CN(C)C(=O)C1(NC(=O)c2ccc(N3CCC3)nc2)CC1 622703701 UPEQGFZNVJKILH-UHFFFAOYSA-N 288.351 0.642 0 50 CCAA CCO[C@H](C)CN(C)Cc1nc(C(=O)NC)no1 252489989 KGWSQDFVMQTFGA-MRVPVSSYSA-N 256.306 0.286 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)COC[C@H]1CCCO1 299746752 ZOLIFQIKRHJBHN-ZJUUUORDSA-N 257.286 0.258 0 50 CCAA Cc1ccnn1CC(=O)N[C@H]1C[C@H](c2cc(O)ncn2)C1 253535402 OQCJLKAPSNFHRK-XYPYZODXSA-N 287.323 0.750 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)CN1CCOC1=O 534639406 APCRGKVWAUVZGC-VIFPVBQESA-N 281.316 0.318 0 50 CCAA O=C(C[C@H]1CCOC1)N1CCN(C(=O)c2ccco2)CC1 362664161 BQEVNNWEBZNBIU-GFCCVEGCSA-N 292.335 0.991 0 50 CCAA CC(C)(C)C(=O)N[C@@H]1C[C@H](C(=O)N2CCCC2)C[C@H]1O 1940195884 UBDWHVAXNSWEHV-QJPTWQEYSA-N 282.384 0.911 0 50 CCAA O=C1CCCN1CCCC(=O)N1CCC[C@@H]1CO 828799276 QIPORRZGECDBOV-LLVKDONJSA-N 254.330 0.372 0 50 CCAA COCn1nc(C(=O)OC)nc1Br 665887155 CCJJNGYVRPRXAW-UHFFFAOYSA-N 250.052 0.431 0 50 CCAA CCc1cc(CN2CCO[C@@H](C(=O)N(C)C)C2)on1 823565567 MDSQZYINPWSDAX-GFCCVEGCSA-N 267.329 0.526 0 50 CCAA CCCOC[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 584886196 QEPGWRHCKDUTHG-NSHDSACASA-N 292.401 0.201 0 50 CCAA O=C1CCCN1CCCn1cnc2ncccc2c1=O 584902033 VJWUMXSEUNDUSS-UHFFFAOYSA-N 272.308 0.804 0 50 CCAA COCc1nc2n(n1)C[C@H](NC(=O)c1cncs1)CC2 268227702 RQHBWUJDWWUGFF-MRVPVSSYSA-N 293.352 0.626 0 50 CCAA CC(C)c1nccc(CN2CC[C@H](N)[C@@H](O)C2)n1 1565526962 RRECDHAFAJOOJE-RYUDHWBXSA-N 250.346 0.494 0 50 CCAA Cc1cccc(NC(=O)C(=O)NCCO)c1Cl 268418327 FAOJCIOWEHKJIU-UHFFFAOYSA-N 256.689 0.695 0 50 CCAA CCOCCNC(=O)NC[C@@H]1CCc2nccn2C1 275402166 SEABTGXTOSXPCA-NSHDSACASA-N 266.345 0.781 0 50 CCAA C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N=c1ccn(CC(=O)O)[nH]1 630136017 VRSMNKIROUOREL-VGMNWLOBSA-N 267.285 0.142 0 50 CCAA COC[C@@H]1CN(c2nc(C)nc(N)n2)C[C@@H](C)O1 631233819 MTOPZAIBVOKWGD-APPZFPTMSA-N 253.306 0.002 0 50 CCAA Cn1nc(C(=O)OC[C@@H]2CCC(=O)N2)cc1OC(F)F 170597011 CQXXTLKWJHYGNQ-LURJTMIESA-N 289.238 0.457 0 50 CCAA CC(=O)N1CCC[C@H](C(=O)Nc2cnns2)C1 170607734 XOXJKEGIQMJDDB-QMMMGPOBSA-N 254.315 0.735 0 50 CCAA CCOC(=O)[C@@H]1[C@H](N)CCN1C(=O)OC(C)(C)C 170689175 OPTQHFDIQOZOIL-BDAKNGLRSA-N 258.318 0.886 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cnn(C)c1C 643764320 UNJVSVJQPLFXRK-ZDUSSCGKSA-N 266.345 0.195 0 50 CCAA CNS(=O)(=O)c1ccc(N2CCC(C(=O)O)CC2)nc1 584472230 HABVTIVKJFBIEG-UHFFFAOYSA-N 299.352 0.291 0 50 CCAA O=C(CC(F)(F)F)N1CCOC[C@@]12CCOC2 194431250 QFLMKPJSXIDWDI-VIFPVBQESA-N 253.220 0.957 0 50 CCAA Cc1nc(N2C[C@H]3CNC[C@@]3(CO)C2)c2ccccc2n1 1165284114 UREHDOCLFBHRRW-WBMJQRKESA-N 284.363 0.956 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)CCCn1ccccc1=O 1615058532 QBFRATYRDISZKW-LBPRGKRZSA-N 291.351 0.366 0 50 CCAA Cc1nc(Cl)cc(N2C[C@@H](CO)C[C@@H]2CO)n1 1776007154 UBTOHVPCLSPEPF-DTWKUNHWSA-N 257.721 0.618 0 50 CCAA COCCN1CC[C@@H](CN(C)Cc2n[nH]c(C)n2)C1 1506415501 YLUZGWMJTUIQKQ-LBPRGKRZSA-N 267.377 0.513 0 50 CCAA CN(Cc1ncc(Br)cn1)Cc1nnn(C)n1 931864249 TZMDFDQDUWKXJY-UHFFFAOYSA-N 298.148 0.395 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)c2ccccc2F)C[C@H]1O 1704338058 KIDNXFHVMCWFQS-GXSJLCMTSA-N 267.256 0.733 0 50 CCAA CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CC[C@@H]1C(=O)O 214063189 SLRVVQIMKPOTNJ-RNFRBKRXSA-N 259.258 0.924 0 50 CCAA CSc1ncc(CNC(=O)[C@@H]2CC[C@H](N)C2)n1C 215592455 HBIQUPZKDSTXGP-BDAKNGLRSA-N 268.386 0.886 0 50 CCAA Cc1ccccc1CNC(=O)Cn1c(C)noc1=O 1875391367 ULTKIHLDOMJWHJ-UHFFFAOYSA-N 261.281 0.770 0 50 CCAA CCOc1ccc(S(=O)(=O)NCCN(C)C)cc1 5156574 CHLJBNZPFONSOL-UHFFFAOYSA-N 272.370 0.925 0 50 CCAA CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCOCC1 16626258 PTSVGGJNOYWDHT-UHFFFAOYSA-N 298.364 0.974 0 50 CCAA Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H](C)N 157734035 RLDMJRQGILGPAQ-VIFPVBQESA-N 264.329 0.512 0 50 CCAA CN1CCn2nc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2C1=O 1857670236 CFIKIZGAZUOSPD-MGCOHNPYSA-N 292.339 0.002 0 50 CCAA Cc1ccc2nc[nH]c(=NCCOc3nonc3C)c2n1 1857673344 GPIYOHSEIZWAOL-UHFFFAOYSA-N 286.295 0.937 0 50 CCAA O=C(CCCCc1cccnc1)N1CC[C@H](CO)[C@H](O)C1 1857721160 CEGPDHLAYGULQV-HUUCEWRRSA-N 292.379 0.996 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)c2ccnn2CC)CC[C@@H]1O 1857736751 UFGPUUMUFNLZQE-ZFWWWQNUSA-N 295.383 0.889 0 50 CCAA CCC(CC)NC(=O)c1nnc2n1C[C@@H](C(=O)OC)CC2 601043824 CBQXYBINFPENFH-VIFPVBQESA-N 294.355 0.932 0 50 CCAA C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCc2nn[nH]c2C1 408033437 LZOAFWFLKODUEL-BBBLOLIVSA-N 291.355 0.022 0 50 CCAA CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cnn[nH]2)CC1 330401788 UKRYKTPXVUUYJR-JTQLQIEISA-N 293.371 0.818 0 50 CCAA CC(=O)N1CCCN(C(=O)NCc2ccc(F)cn2)CC1 332288416 FNZLYGGZPFXRAB-UHFFFAOYSA-N 294.330 0.985 0 50 CCAA CCOc1cccc(CC(=O)N[C@H]2CCCNC2=O)n1 797846901 UNUCHYNFXGNMMV-NSHDSACASA-N 277.324 0.418 0 50 CCAA CCS(=O)(=O)NC1CCN(CCC2(O)CCC2)CC1 903010187 PNWZTSGPZGOBQD-UHFFFAOYSA-N 290.429 0.695 0 50 CCAA CN1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1cnccn1 931390149 QLXJXZWQIXIMLF-PHIMTYICSA-N 261.329 0.194 0 50 CCAA CCn1nnc(C)c1CN1CCCCC1(CO)CO 1875273775 CAEQKQHGRZPVQK-UHFFFAOYSA-N 268.361 0.316 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H](C)c1ccnn1CC 1875367585 SDUOYDCPMCMZHB-SNVBAGLBSA-N 264.329 0.725 0 50 CCAA CC1(C)C[C@@H]2CN(C(=O)Cc3cc(O)nc(O)n3)C[C@@H]21 1875311729 LPXOTXMUOZEDTN-SCZZXKLOSA-N 277.324 0.935 0 50 CCAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[C@H]2CCCO2)CS1 1875300505 GBUSGHPJZKYNDJ-LXUNUROVSA-N 285.365 0.876 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2Cc3ccc(O)cc3CN2)CCN1 1875338112 NVEDHSQVOAEENO-YGRLFVJLSA-N 275.352 0.227 0 50 CCAA OCCOCCN1CCN(Cc2ccsc2)CC1 19606869 XAIQUMVNBUHIFK-UHFFFAOYSA-N 270.398 0.875 0 50 CCAA O=C(CCc1ccco1)N1CCC(O)(c2nn[nH]n2)CC1 1776002236 SGIPPZWWWXKXOR-UHFFFAOYSA-N 291.311 0.236 0 50 CCAA O=C(NC[C@H]1CNCCO1)c1ccc2nccn2c1 564956687 UQEPMKFZZDKWPB-LLVKDONJSA-N 260.297 0.053 0 50 CCAA CO[C@@H](C(=O)N[C@H](C(=O)O)c1ccnn1C)C1CCC1 663062366 XVXOYVDMECMOIE-WDEREUQCSA-N 281.312 0.477 0 50 CCAA COC(=O)c1cccnc1NC[C@H]1CNCCOC1 72172600 KXXQSSXPIYGKGH-SNVBAGLBSA-N 265.313 0.516 0 50 CCAA COC(=O)C[C@@H]1CN(C(=O)[C@@H]2[C@@H](C)C2(F)F)CCO1 408233305 STLSCKHNPHDAOM-MRTMQBJTSA-N 277.267 0.678 0 50 CCAA O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1nc[nH]n1 2492059 GHQNMKXHBGBQQQ-BQBZGAKWSA-N 252.661 0.827 0 50 CCAA NC(=O)CC[C@H](Nc1ncnc2ccccc12)C(=O)O 132680 TZFIJIOVFYFDMD-JTQLQIEISA-N 274.280 0.760 0 50 CCAA COc1cc(C2=NC(CO)(CO)CO2)cc(OC)c1OC 1431484 IAGBEULSQUKXHT-UHFFFAOYSA-N 297.307 0.213 0 50 CCAA O=C(Cc1ccc(O)c(Cl)c1)N1C[C@H](O)C[C@@H](O)C1 2356153590 NINLRZVRQIGYJX-NXEZZACHSA-N 285.727 0.542 0 50 CCAA COC[C@@]12COC[C@@H]1CN(c1nc(=N)[nH]c3c1CCC3)C2 2356165108 TYSWJQSWYNIFIQ-BONVTDFDSA-N 290.367 0.477 0 50 CCAA O=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=O 2944779 YATIWPMEKYVTAO-UHFFFAOYSA-N 294.332 0.996 0 50 CCAA in-vivo Cc1cnn(CCC(=O)N2CCC[C@H](C(=O)O)C2)c1 133072076 DVLSIRNZQUZOTL-NSHDSACASA-N 265.313 0.905 0 50 CCAA NC(=O)C1CCN(C(=O)NC(=O)c2ccccc2)CC1 4251566 QQSNOGUYGYARCX-UHFFFAOYSA-N 275.308 0.734 0 50 CCAA Cc1cccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)n1 20998073 FUHRVSKQHXGJCD-GJZGRUSLSA-N 277.368 0.267 0 50 CCAA COc1nc2c(cc1C(=O)NCC(=O)NC1CC1)CCC2 67714364 YREAIQKSWDFSHN-UHFFFAOYSA-N 289.335 0.587 0 50 CCAA C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H]2[C@H](C1)C2(F)F 253426239 YWCGZMTYPYCUCL-QNSHHTMESA-N 287.310 0.950 0 50 CCAA C[C@@H]1C(=O)N(C)CCN1C(=O)Cc1ccc2n[nH]cc2c1 356911012 ZBUCRKHOIGLRRW-SNVBAGLBSA-N 286.335 0.795 0 50 CCAA COC[C@H](O)CN1CCOC[C@@H]1c1c(C)n[nH]c1C 330585532 WGYBHXOLKDVVQN-VXGBXAGGSA-N 269.345 0.407 0 50 CCAA Cc1n[nH]cc1CNC(=O)[C@H]1CC(=O)N(c2ccccn2)C1 370469704 CNXBULIUJJIPPH-NSHDSACASA-N 299.334 0.782 0 50 CCAA COCc1cccc(S(=O)(=O)N[C@H](C)C(=O)O)c1 262454761 RKNWUBKGDNYYTF-MRVPVSSYSA-N 273.310 0.584 0 50 CCAA NC(=O)[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1 284722682 BVEKEBMEVOQBFB-CYBMUJFWSA-N 252.289 0.638 0 50 CCAA N[C@H]1CCN(C(=O)c2cccc(CN3CCOCC3)c2)C1 132434833 AASBRRPDCMUIHP-HNNXBMFYSA-N 289.379 0.692 0 50 CCAA N[C@@H]1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1 132669116 BRJQHHDDTNVFHL-OAHLLOKOSA-N 289.379 0.692 0 50 CCAA CCNC(=S)[C@@H]1C(=O)c2ccccc2S(=O)(=O)N1C 44125749 WOWKYKCYKAFSRB-JTQLQIEISA-N 298.389 0.809 0 50 CCAA C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)CCc1cn(C)nn1 614724710 LEARPZKUESKYDH-TZMCWYRMSA-N 291.399 0.833 0 50 CCAA Cc1nn(CCC(=O)N2CCN(C)C(=O)[C@H]2C)c(C)c1C 220720334 GOPOPGCPOMBABB-CYBMUJFWSA-N 292.383 0.888 0 50 CCAA CCN1C[C@H](NC(=O)CCc2cccnc2)CC1=O 222342715 NFLQZFADTJVEHW-GFCCVEGCSA-N 261.325 0.751 0 50 CCAA Cc1nn(C)cc1CNC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 239248082 YACKRCOHVOEAOY-DDHJBXDOSA-N 293.323 0.223 0 50 CCAA COCCn1cc(N[C@@H](CS(C)(=O)=O)C2CC2)cn1 294692580 IPWZXTWEGWDEHP-LBPRGKRZSA-N 287.385 0.765 0 50 CCAA CSCCC(=O)N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1 244659464 HDESLXUXDBDXOE-OBJOEFQTSA-N 286.441 0.995 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CC[C@H]2CCCOC2)CCO1 299753447 YGDWLLKMOBDZNE-MNOVXSKESA-N 271.313 0.505 0 50 CCAA COC[C@H](O)CN1CCCN(c2ccccn2)CC1 183806561 LVXJAMUKQSQMGI-CYBMUJFWSA-N 265.357 0.601 0 50 CCAA Cc1ccc(CN2CCN[C@H]3CS(=O)(=O)C[C@H]32)o1 253495373 AZHHKJAUWJOYKZ-NWDGAFQWSA-N 270.354 0.159 0 50 CCAA CCc1nccn1CCC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 534645912 UCJJMFZOLBKDJY-VXGBXAGGSA-N 290.367 0.772 0 50 CCAA COCC(C)(C)CNC(=O)[C@@H]1CSC(C)(C)C(=O)N1 534640111 OSLIMBLKNQDAOV-VIFPVBQESA-N 288.413 0.785 0 50 CCAA CC(C)(C)n1nc(CC(N)=O)nc1-c1cnc(N)s1 826842545 YIXLLDHZKYJBEA-UHFFFAOYSA-N 280.357 0.767 0 50 CCAA CCCCS(=O)(=O)N(C)C[C@H]1CC(=O)N(C)C1 822877557 FXRHREAQJWGZRC-JTQLQIEISA-N 262.375 0.526 0 50 CCAA CC(C)[C@H](O)C(=O)NC1(C(N)=O)CCCCCC1 584899987 OCFGPFYJPKXPHV-JTQLQIEISA-N 256.346 0.698 0 50 CCAA Cc1cc(O)nc(CCNC(=O)C2CCOCC2)n1 670439136 JKHVXXGHAFVEPI-UHFFFAOYSA-N 265.313 0.576 0 50 CCAA Cc1nc([C@@H]2CCCN(C(=O)c3[nH]nnc3C)C2)no1 584902608 FKWKUWHVJHXSBO-SECBINFHSA-N 276.300 0.824 0 50 CCAA Cc1ccc(O)c(CN2C[C@H](O)[C@@H](N(C)C)C2)n1 584897926 QGWQPGQUOKHJEK-AAEUAGOBSA-N 251.330 0.202 0 50 CCAA O=C(c1ccoc1)N1CCCN(C[C@H]2COCCO2)CC1 670437027 UOHUEMRQAYIIQT-AWEZNQCLSA-N 294.351 0.843 0 50 CCAA COC(=O)Nc1ccc(B(O)OC(C)(C)C(C)(C)O)cn1 169994558 QDRCDDDPLPBVEE-UHFFFAOYSA-N 296.132 0.514 0 50 CCAA NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC=CCC2)cn1 270698293 XLCDQCRXNSAHQZ-SNVBAGLBSA-N 281.337 0.568 0 50 CCAA COC(=O)c1ccc(CN2CC[C@@H]3OCCN[C@@H]3C2)nc1 403991523 JHBHASXQJULOKY-KGLIPLIRSA-N 291.351 0.431 0 50 CCAA Cc1ncc(S(=O)(=O)NC(=O)[C@H]2CC2(F)F)s1 408491820 ILIWDSMYSOJXQB-RXMQYKEDSA-N 282.293 0.912 0 50 CCAA CCN(C)C(=O)[C@@H](C)NC(=O)c1ncccc1O 188509891 AMALSHKXRXHFBD-MRVPVSSYSA-N 251.286 0.384 0 50 CCAA Cc1cc(N2CC[C@@](O)(Cn3ccnn3)C2)nc(C)n1 671467405 YMPAEEYGXSPQHM-ZDUSSCGKSA-N 274.328 0.326 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1conc1C 643765860 JQHBZFATYIVZES-ZDUSSCGKSA-N 267.329 0.710 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1nc(C(C)(C)C)n[nH]1 643822466 UNDFXXUYOXTSPO-CQSZACIVSA-N 295.387 0.569 0 50 CCAA CC(C)OCCC(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1 583618994 QZPRZYWIKOLBJK-ZDUSSCGKSA-N 282.344 0.430 0 50 CCAA CN(C)[C@H]1C[C@@H](N=c2[nH]ccn3cnnc23)C1(C)C 585092173 IBNQNHCOKMNHNI-ZJUUUORDSA-N 260.345 0.687 0 50 CCAA COc1ncncc1CN1CC[C@H](CN2CCOCC2)C1 648010557 HUOSYPONEHFYHA-CYBMUJFWSA-N 292.383 0.639 0 50 CCAA CC(C)C[C@H](CN)CC(=O)OC[C@H]1CCS(=O)(=O)C1 585123720 XTEHGBHQHICEQB-NEPJUHHUSA-N 291.413 0.975 0 50 CCAA Oc1nc(CN2CCOC[C@H](O)C2)nc2ccsc12 77287080 BRRDVVZQSARIDM-MRVPVSSYSA-N 281.337 0.590 0 50 CCAA Cc1cc(CC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)n(C)n1 565026287 KQGJPLJDXLLUCE-DOMZBBRYSA-N 290.367 0.444 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)/C=C/c1ccc(C)o1 1615552275 SSFNNPAHCNAJMC-IEVRTODYSA-N 250.298 0.704 0 50 CCAA c1cnc(N2CCN(CC[C@@H]3COCCO3)CC2)cn1 1775978445 SYSLLDRTEHITKK-CYBMUJFWSA-N 278.356 0.404 0 50 CCAA CO[C@H]1CN(CC(=O)Nc2ccc(Cl)cn2)C[C@@H]1O 1506425909 NRJRKKWQEQSDBM-UWVGGRQHSA-N 285.731 0.365 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3[nH]cnc3C)C[C@H]2O)n[nH]1 1529099266 VKJCNEINQZPRFT-BXUZGUMPSA-N 275.356 0.785 0 50 CCAA CN(CCc1cnn(C)c1)C(=O)C1CCOCC1 1857696060 KQLJRGTZONNWDH-UHFFFAOYSA-N 251.330 0.848 0 50 CCAA Cc1ccc(C(N)=O)cc1NC(=O)c1ncn(C)n1 355255903 QTCKTUVQMBUABW-UHFFFAOYSA-N 259.269 0.475 0 50 CCAA Cc1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)nn1C 261559487 SMWPRKASVZQFSO-SECBINFHSA-N 267.285 0.044 0 50 CCAA OCC1(CO)[C@@H]2CN(c3ncc(Cl)cn3)C[C@H]21 1772707501 OKZABLNJYWEWTF-RKDXNWHRSA-N 255.705 0.167 0 50 CCAA CC(C)CCC1(CCO)C(=O)NC(=S)NC1=O 5453849 ODBYBGYTXPHFFZ-UHFFFAOYSA-N 258.343 0.322 0 50 CCAA COCCn1cnnc1CN(C)c1ncc2cn[nH]c2n1 1857666354 NEQQRUUDYYWECW-UHFFFAOYSA-N 288.315 0.227 0 50 CCAA O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCc2ncnn2C1 1857738425 HKUBZZCUNCSNNU-VIFPVBQESA-N 286.339 0.369 0 50 CCAA O=C1CCCN1C[C@H](O)CN1CCC(c2ccn[nH]2)CC1 111686296 RLFBDALQXXTCBR-CYBMUJFWSA-N 292.383 0.572 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1ccc(CO)cc1 643829043 OXBVQTNPQREYHZ-MRXNPFEDSA-N 292.379 0.906 0 50 CCAA COc1ncc(C)cc1NC(=O)N[C@H]1CCS(=O)(=O)C1 266963373 ZXPPLWXZBKPWMN-VIFPVBQESA-N 299.352 0.707 0 50 CCAA Cc1n[nH]c(C)c1CN1C[C@H]2COC[C@@H]1CN(C)C2 1704330429 BYRFGWOETDYBSY-STQMWFEESA-N 264.373 0.789 0 50 CCAA CC(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCCSC1 952880140 NDNYOBLELRHBOF-IUCAKERBSA-N 259.375 0.691 0 50 CCAA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)C(=O)C1CC1 952889345 ZSGWGZIMOOXIKC-NXEZZACHSA-N 250.302 0.546 0 50 CCAA CC1(C)CO[C@H]1COC(=O)[C@@H]1CC(=O)N(C2CC2)C1 1875293042 AJCHFOUNPZZOBJ-KOLCDFICSA-N 267.325 0.966 0 50 CCAA O=C([C@@H]1CCS1(=O)=O)N1CCOc2cccc(F)c2C1 1875284085 KUKKFXLXVLFVNJ-LBPRGKRZSA-N 299.323 0.734 0 50 CCAA COC[C@](C)(NC(=O)c1ccc(C)c(C(=O)O)c1)C(N)=O 1875268900 BCKDGQGNSGBNJF-AWEZNQCLSA-N 294.307 0.313 0 50 CCAA COC[C@@H](NC(=O)c1cnn(C2CCCC2)c1)C(N)=O 1875280413 GKDQAAGYFOGPTA-LLVKDONJSA-N 280.328 0.228 0 50 CCAA C=CC(=O)NCC(=O)N[C@@H]1COc2ccc(F)cc21 1875303133 XHJNZMLJPDITTN-SNVBAGLBSA-N 264.256 0.678 0 50 CCAA NC(=O)C[C@@H]1CN(c2ncc(C3CCC3)o2)C[C@H]1O 1875398599 XXVCTUCIQHNTRQ-NXEZZACHSA-N 265.313 0.615 0 50 CCAA COC(=O)N1CC[C@@H](NCC2(n3cncn3)CC2)C1(C)C 1875396582 NQMUPXXMMQPTAD-LLVKDONJSA-N 293.371 0.976 0 50 CCAA CO[C@H]1CCN([C@H]2CCC[C@H]2NCc2nc(O)n[nH]2)C1 886082601 UXOGZTSAUJTVIO-AXFHLTTASA-N 281.360 0.242 0 50 CCAA COc1ccccc1CN1CCN(S(C)(=O)=O)CC1 19570500 WQYLZDSTKLUILU-UHFFFAOYSA-N 284.381 0.772 0 50 CCAA O=C(Cc1ccc2n[nH]cc2c1)N1CC(N2CCCC2=O)C1 888751977 NMSAVHGYIDHQPS-UHFFFAOYSA-N 298.346 0.939 0 50 CCAA CN1C(=O)CCC[C@H]1C(=O)NCc1cn(C)cn1 890100397 VOFIXYHBBZOGAV-JTQLQIEISA-N 250.302 0.047 0 50 CCAA CO[C@@H]1CN(c2nnnn2CCc2cccs2)C[C@H]1O 1775994648 XSJRJANJMIRWAJ-GHMZBOCLSA-N 295.368 0.173 0 50 CCAA O=C([C@@H]1CC(F)(F)CN1)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 263184085 HBMPHXSZLOYNPM-LADJIXMOSA-N 272.295 0.619 0 50 CCAA CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O 97844345 BJTLBRQDWJFVJB-DRZSPHRISA-N 277.368 0.573 0 50 CCAA O=C(CCOc1ccccc1)N1CCOC[C@H](O)C1 77377380 LFUVEMPRKZQZGU-GFCCVEGCSA-N 265.309 0.675 0 50 CCAA N=C(N)NC(=O)c1ccc2c(c1)C=CS2(=O)=O 2325840608 ICTCCWAHKJRTKL-UHFFFAOYSA-N 251.267 0.068 0 50 CCAA O=C1OCC2=C1C(c1ccccc1)C1=C(COC1=O)N2 406773 LNIYHCOYONAMDN-UHFFFAOYSA-N 269.256 0.995 0 50 CCAA COc1ccccc1NC(=O)C(=O)NC[C@@H](C)O 2993832 YVUDUZRUOFUVSI-MRVPVSSYSA-N 252.270 0.131 0 50 CCAA CCSCC(=O)NC[C@H](O)c1cccc(O)n1 2356162042 VCCYJBHZBBMWOH-VIFPVBQESA-N 256.327 0.690 0 50 CCAA O=C1NC(=O)[C@@H]2[C@@H]1[C@@H](c1ccco1)NN2Cc1ccccc1 101801556 POQODQPYHFVSQT-MJBXVCDLSA-N 297.314 0.982 0 50 CCAA COCCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100099516 VIALJPRWNQVTSR-TXEJJXNPSA-N 294.351 0.480 0 50 CCAA C[C@H]1CN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C[C@H](C)O1 247966773 QPCZQJZSIGMGRE-WYUUTHIRSA-N 292.401 0.450 0 50 CCAA COc1cc(NCCN2CCCC[C@H]2CO)ncn1 65496439 YZDKMYLRJFLAMQ-NSHDSACASA-N 266.345 0.744 0 50 CCAA CCNc1ccnc(NCCc2cc(=O)[nH]c(C)n2)n1 65424562 LZVZWUGQDYINLW-UHFFFAOYSA-N 274.328 0.955 0 50 CCAA Cc1cnn(CCC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c1 435716442 VJBUUERLGGYEGJ-WDEREUQCSA-N 265.313 0.951 0 50 CCAA CCOc1cccc(C(=O)N[C@H](C)c2nc(=O)[nH][nH]2)c1 215688234 GQVLKBGRVCVQQO-MRVPVSSYSA-N 276.296 0.988 0 50 CCAA Cc1cc(F)cc(S(=O)(=O)N(C)CC(=O)O)c1 261835083 NKEGKNVIPPZLEF-UHFFFAOYSA-N 261.274 0.839 0 50 CCAA Cn1nccc1C(=O)N1CCN(c2cnccn2)CC1 332421967 RFVCBSJXDAPNBW-UHFFFAOYSA-N 272.312 0.173 0 50 CCAA COC(=O)[C@H]1CN(c2nccc(OC)n2)C[C@@H](C)O1 282161365 DBFRXFUIZBUXOS-RKDXNWHRSA-N 267.285 0.252 0 50 CCAA COc1ccc(N2C(=O)N[C@@H](CCC(=O)O)C2=O)cc1 36818760 ANUCVHJYNICEAE-JTQLQIEISA-N 278.264 0.985 0 50 CCAA biogenic C[C@H](NS(C)(=O)=O)C(=O)NC1Cc2ccccc2C1 183597849 OJSWOCBQKMIMRE-VIFPVBQESA-N 282.365 0.208 0 50 CCAA CNC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccnnc1C 332975367 KGHGZLHUCGRUHC-GXSJLCMTSA-N 277.328 0.821 0 50 CCAA C[C@@H]1CC[C@@H](C(=O)N[C@]2(C(=O)O)CCSC2)O1 157903758 MPEFANFUTBKISW-VHSKPIJISA-N 259.327 0.630 0 50 CCAA Cc1cccc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)c1C(N)=O 283211058 XKWHOFGMFQEWMB-SECBINFHSA-N 299.334 0.956 0 50 CCAA COc1cc(C(=O)O)cc(C(=O)N[C@@H](C)CO)c1 426414433 BYETWZQNJKPFIT-ZETCQYMHSA-N 253.254 0.504 0 50 CCAA CS(=O)(=O)NCCCN1CCc2ccccc2C1 46071442 MGGWLGOZYZNNRZ-UHFFFAOYSA-N 268.382 0.984 0 50 CCAA O=C(c1cccc(-c2nc[nH]n2)c1)N1CCOCC1 97823249 FJDJFKVNWZMYNP-UHFFFAOYSA-N 258.281 0.944 0 50 CCAA CN1CC[C@]2(CCN(C(=O)NCc3cncn3C)C2)C1 291826560 FNYKJLKYYUGGON-AWEZNQCLSA-N 277.372 0.657 0 50 CCAA CN1C[C@H](C(=O)NCCc2c[nH]cn2)Oc2ccccc21 97784999 LSBPTPMWCNYMNS-CQSZACIVSA-N 286.335 0.966 0 50 CCAA COCCC[C@]1(C(=O)O)CCCN(CC(=O)O)C1 91818874 ZJACFFVVOJYGFK-GFCCVEGCSA-N 259.302 0.664 0 50 CCAA NC(=O)CN1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 91736345 ABRVTDKGRURVQL-CQSZACIVSA-N 265.357 0.339 0 50 CCAA O=C(N[C@@H]1CCNC[C@H]1O)c1sccc1Cl 534641429 CIWMBNHQPIRTGV-HTQZYQBOSA-N 260.746 0.854 0 50 CCAA CCN(CCn1cc(Cl)cn1)[C@H]1COC[C@@H]1O 244678501 IESQHALGGXKVQS-QWRGUYRKSA-N 259.737 0.618 0 50 CCAA Oc1cc([C@H]2CCCN(CCn3cncn3)C2)ncn1 240662538 PLYQFYPBRLNTEI-NSHDSACASA-N 274.328 0.653 0 50 CCAA C[C@@H]1Cc2ccccc2CN1CC(=O)NCC(=O)O 180753195 OUHYXUXQTMLDTD-SNVBAGLBSA-N 262.309 0.634 0 50 CCAA CC[C@H](C)N1CCN(C(=O)c2cc(OC)n(C)n2)CC1 296841786 GZEGYENFBNJVQQ-NSHDSACASA-N 280.372 0.985 0 50 CCAA CC(C)N(C)S(=O)(=O)N[C@H](C)c1ncnn1C 353862954 ZGBLVNRHMNJAFF-MRVPVSSYSA-N 261.351 0.051 0 50 CCAA COCC(C)(C)CNC(=O)c1cnc2nc(C)[nH]n2c1=O 534653752 PFEPHNHLEDCEIP-UHFFFAOYSA-N 293.327 0.128 0 50 CCAA CC(C)C(=O)N1CCC(NCCn2ccnn2)CC1 534644791 UVFXVEOACPPJNC-UHFFFAOYSA-N 265.361 0.515 0 50 CCAA CCc1ccccc1C(=O)NC[C@@H]1CCNC[C@H]1O 534590765 PDIUBPLXKYRGIF-GXTWGEPZSA-N 262.353 0.949 0 50 CCAA CN(C)S(=O)(=O)NCCCC[C@H]1CCCO1 823725409 DPWNUTRUSVRRAN-JTQLQIEISA-N 250.364 0.732 0 50 CCAA CCCc1cnc(NC[C@H]2CN(C)C(=O)CO2)nc1 823012023 FITMGNGETQTLGX-NSHDSACASA-N 264.329 0.698 0 50 CCAA CN1C[C@H](NC(=O)CCc2cccn2C)CCC1=O 584898529 RHPUWYMAGBBVRS-LLVKDONJSA-N 263.341 0.695 0 50 CCAA CC(=O)N1CC(NC(=O)[C@@H]2CCCO[C@H]2c2cc[nH]n2)C1 886034061 GQMVPEKFUFTXRM-DGCLKSJQSA-N 292.339 0.224 0 50 CCAA CO[C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CC(=O)N(C)C2)C1 408311480 ZFAUIAPFYMNPQI-IJLUTSLNSA-N 268.357 0.929 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1O)c1nc2ccccc2[nH]1 1565526391 QEGCZZJDENGZFG-QWRGUYRKSA-N 261.281 0.443 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@H]1C(=O)O 300272247 LGAQPTRECZLLPT-KXUCPTDWSA-N 289.353 0.133 0 50 CCAA CN1CC[C@@H](NC(=O)CC(N)=O)[C@@H]1c1ccccc1 270618352 GSKKMWGKERMKIR-RISCZKNCSA-N 261.325 0.423 0 50 CCAA COc1ccc(C(=O)NC[C@@H]2CCc3nccn3C2)nn1 275347329 MDIRIRRWAUADPR-JTQLQIEISA-N 287.323 0.674 0 50 CCAA CC1(C)C[C@@H](O)CCN(C(=O)C2CN([C@H]3CCOC3)C2)C1 585131774 FZPZPDKEEBNESV-KBPBESRZSA-N 296.411 0.717 0 50 CCAA CN(CCCOc1ccc(F)cc1)C(=O)[C@@H]1C[C@H](O)CN1 195543248 YUYSCSKDBPTRIX-JSGCOSHPSA-N 296.342 0.776 0 50 CCAA CC[C@H](C)[C@H](NS(=O)(=O)[C@H]1CCC[C@@H]1OC)C(=O)O 1615051379 HHZGHQWTPPXBOG-NAKRPEOUSA-N 293.385 0.973 0 50 CCAA Cc1cc(O)c(-c2ccc3c(O)nc(N)nc3n2)c(=O)o1 1547139262 SGFYDQUPQKJJQP-UHFFFAOYSA-N 286.247 0.947 0 50 CCAA O=C(O)[C@H]1CCCN(C(=O)COCC(F)(F)F)C1 223824465 DIJJXJBBJPMZGN-ZETCQYMHSA-N 269.219 0.889 0 50 CCAA COC(=O)[C@H]1CNCC[C@H]1NC(=O)OC(C)(C)C 16697331 JZMRLHYTQICGLN-DTWKUNHWSA-N 258.318 0.662 0 50 CCAA in-vitro C[C@H]1CCCN(C(=O)CC2CCNCC2)[C@H]1CN 156797153 SYUUABLQJRCFLI-AAEUAGOBSA-N 253.390 0.962 0 50 CCAA O=C1CO[C@]2(CCN(c3nnc(C4CCC4)o3)C2)CN1 1772815271 OBFOCYKJASCVJM-CYBMUJFWSA-N 278.312 0.432 0 50 CCAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccncc2)C1 16248505 KYDZXWJRKHQSAG-GFCCVEGCSA-N 297.380 0.369 0 50 CCAA N[C@H]1C[C@H](C(=O)NCCOCc2ccccc2)C[C@@H]1O 1857740199 DEDRHMFAQXAABR-IHRRRGAJSA-N 278.352 0.418 0 50 CCAA Nc1c(O)nc(O)nc1C(=O)N1C[C@H]2CCCC[C@H]2C1 408369809 CBADLJOWOWNMIJ-OCAPTIKFSA-N 278.312 0.732 0 50 CCAA C[C@H]1CN(c2ncnc(N)c2Cl)C[C@@H](CO)O1 225490318 UHMFEGWHLFCHSQ-BQBZGAKWSA-N 258.709 0.298 0 50 CCAA O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC[C@@H]1c1ccco1 668831575 MLYGYODEUCPZAF-HKUMRIAESA-N 293.319 0.356 0 50 CCAA O=C(O)[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)CC1CC1 568246393 MSNDFORUVXWBAE-VHSXEESVSA-N 289.353 0.181 0 50 CCAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)NC1COC1 1875290845 FJPPJDMKSZRBAQ-NSHDSACASA-N 280.328 0.508 0 50 CCAA C[C@@H]1C[C@H](C(=O)N=c2nc(C3CC3)[nH]s2)CC(=O)N1 1875310191 IFVCXSLWBRGVMW-SVRRBLITSA-N 280.353 0.691 0 50 CCAA CCc1nsc(N2CCC3(CC2)C[C@@H](O)CNC3=O)n1 896332454 IBAJZUJQVYFERF-SECBINFHSA-N 296.396 0.568 0 50 CCAA O=C(NC[C@H]1CC[C@@H](c2nc[nH]n2)O1)c1ncccc1F 1775961625 ODBIJCGGIYQACB-SCZZXKLOSA-N 291.286 0.989 0 50 CCAA C=CS(=O)(=O)CCN(C)[C@@H]1CCN(C)[C@H](C)C1 1775994497 VSPBQNDLTVWWPI-VXGBXAGGSA-N 260.403 0.959 0 50 CCAA CCN1C(=O)C[C@@H](NCc2ccc3c(c2)OCO3)C1=O 20512309 REPRPNKAUBDOTB-SNVBAGLBSA-N 276.292 0.652 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1O)c1cccc2nccnc12 629240645 XILKGJBBXYJNFX-JQWIXIFHSA-N 273.292 0.509 0 50 CCAA Cc1cc2ccccc2nc1N1CC[C@@](O)(C(N)=O)C1 365347987 UXYJDKWIAILOLI-HNNXBMFYSA-N 271.320 0.970 0 50 CCAA COCC[C@]1(C(=O)Nc2ncccc2O)CCNC1 372127298 AJFJUAUBOOFPCP-CYBMUJFWSA-N 265.313 0.742 0 50 CCAA O=S1(=O)CCC(CNCC2(CO)CCC2)CC1 717686467 HJQGPUANMTYNMR-UHFFFAOYSA-N 261.387 0.563 0 50 CCAA C[C@H](O)CNC(=O)c1cc(Br)cc2nn[nH]c12 2325700746 KKNZFJDIAZAMFA-YFKPBYRVSA-N 299.128 0.831 0 50 CCAA Cc1cn2c(n1)CC[C@H](NC(=O)N1C[C@@H]3C[C@H]1CO3)C2 2325764743 SLVQTDXFRFZQER-SRVKXCTJSA-N 276.340 0.689 0 50 CCAA Cn1nccc1C[C@@H]1CCN(C(=O)C2(C)CNC2)C1 2325809138 JEYRSTBASGWPDZ-NSHDSACASA-N 262.357 0.421 0 50 CCAA NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2c1CCCC2 2325810986 VLANZGKCIMOCDZ-IUCAKERBSA-N 289.339 0.266 0 50 CCAA CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O 470189 UWTBRCGWKOPAAY-UHFFFAOYSA-N 298.364 0.555 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cc(C)nc(O)c1)C2 2356155017 UDHSYCTYQICBPA-WFASDCNBSA-N 292.335 0.831 0 50 CCAA CC(=O)N1C[C@H]2CNC[C@@]2(C(=O)N(C)Cc2ccoc2)C1 65372840 KEPDTYSURYCXAR-UKRRQHHQSA-N 291.351 0.306 0 50 CCAA C[C@@H](O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 123670015 HWWUZKBIGCOWRT-NRUUGDAUSA-N 289.397 0.682 0 50 CCAA CCOC(=O)C(F)(F)[C@@H](NCC(=O)OC)C1CC1 328595691 ASNWKDBOXRZZTP-VIFPVBQESA-N 265.256 0.726 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2cccnc2OC)C[C@H]1O 72476287 AIMJDSLMZCDDNT-BXUZGUMPSA-N 280.324 0.438 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2O)c(C)n1C 219244167 ZEMQVIZKFNQZCE-VXGBXAGGSA-N 252.314 0.522 0 50 CCAA O=C(Cc1cnccn1)N[C@H]1CCOC2(CCOCC2)C1 77489119 BSPGEMZMQKEWEF-LBPRGKRZSA-N 291.351 0.864 0 50 CCAA Cc1ccc(CC(=O)N[C@H]2CCCNC2=O)cc1O 336354280 VUYCFYVLZQVIAB-NSHDSACASA-N 262.309 0.638 0 50 CCAA CNc1nc(C)c(C(=O)N2CCOC[C@@H](O)C2)s1 77522838 HKPGYQTYLKMGMZ-QMMMGPOBSA-N 271.342 0.327 0 50 CCAA Cc1ccc(CCNC[C@]2(O)CNCCOC2)o1 77504434 IHTZEYLNGHVOBJ-ZDUSSCGKSA-N 254.330 0.071 0 50 CCAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1ccc(C(N)=O)cn1 237373150 JWAUKMZCBOVLHA-SKDRFNHKSA-N 276.340 0.522 0 50 CCAA CC(C)N1C[C@H](C(=O)NCCSc2ncn[nH]2)CC1=O 77485070 PILRGMKNTALBEP-SECBINFHSA-N 297.384 0.270 0 50 CCAA Cn1c(SCCn2cnnc2)nnc1[C@H]1CCCNC1 426530459 OTYSUOJHNKTECM-JTQLQIEISA-N 293.400 0.666 0 50 CCAA COCCc1nc(CNC(=O)c2c(C)nn(C)c2C)no1 220366596 VOVHBAGVGXSFDK-UHFFFAOYSA-N 293.327 0.539 0 50 CCAA CCCn1cnnc1Cn1cc([C@@H]2CCOC2)nn1 91738447 WCBDYTXNGYIZQB-SNVBAGLBSA-N 262.317 0.832 0 50 CCAA Cc1nnc(N2CC[C@H]3NCCC[C@]3(CO)C2)o1 95368787 YVTRTEAFINIKKS-ZYHUDNBSSA-N 252.318 0.319 0 50 CCAA CC(C)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 245391979 SNVFKUBRLPMGOY-GAIPPQHRSA-N 262.309 0.318 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2CCCCN2)CC1=O 299750933 OUWYHQLMTXDLBD-WYUUTHIRSA-N 265.357 0.254 0 50 CCAA CS(=O)(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 252539905 ORCGJOLMSLUZTP-QXEWZRGKSA-N 256.327 0.443 0 50 CCAA CCCc1ncncc1C(=O)NC1(C(=O)O)CCOCC1 534651093 NLKCOGSVZAOTLU-UHFFFAOYSA-N 293.323 0.793 0 50 CCAA Cc1ccc(OCCS(=O)(=O)N2CCN[C@@H](C)C2)cc1 534669267 HATJZBVZRJOQID-ZDUSSCGKSA-N 298.408 0.997 0 50 CCAA Cn1c(CCNc2cc([C@@H]3CCOC3)ncn2)n[nH]c1=O 299779308 QQOWXXKRBMZISY-SECBINFHSA-N 290.327 0.057 0 50 CCAA CC(C)N1CC[C@@H](CN(C)CCS(C)(=O)=O)C1 823690257 UAFDQPHJADIWRU-LBPRGKRZSA-N 262.419 0.693 0 50 CCAA COCCN1CCC(C(=O)N(C)CCN2CCCC2)CC1 584895202 NZMVNHVCIPPUCW-UHFFFAOYSA-N 297.443 0.899 0 50 CCAA CN1CCC(OCCCNC(=O)[C@H]2CC[C@@H](N)C2)CC1 823764966 PWSYPKSJIYYIQX-QWHCGFSZSA-N 283.416 0.731 0 50 CCAA COC[C@@H]1CCCN1S(=O)(=O)NC1(C)CCNCC1 824371096 WLMIKPZCSZNZBW-NSHDSACASA-N 291.417 0.074 0 50 CCAA C[C@@H]1NC(=O)N(CCS(=O)(=O)c2cccc(O)c2)C1=O 585136839 VHIWXMLYWQQJHX-QMMMGPOBSA-N 298.320 0.106 0 50 CCAA CC[C@H](C)NC(=O)C1CCN(CCn2cnnc2)CC1 670454143 XTYYYSXJRQYMMT-LBPRGKRZSA-N 279.388 0.905 0 50 CCAA CCN1C[C@@H](CN(C)CCn2cnnc2)CC1=O 670439343 PVUJHECXEFMYAU-LLVKDONJSA-N 251.334 0.078 0 50 CCAA CN(CCCCN1CCOCC1)c1ccc(C(N)=O)cn1 670452752 DIRPYNBYIAMZEQ-UHFFFAOYSA-N 292.383 0.729 0 50 CCAA Cc1nnsc1CN(C)CC(=O)NC[C@@H]1CCCO1 244626527 FNJSRJUJGNIBQH-JTQLQIEISA-N 284.385 0.574 0 50 CCAA CC(=O)N1CCCN(C(=O)N=c2[nH]nc(C)s2)CC1 407990430 OFMXQBLGGLLHGE-UHFFFAOYSA-N 283.357 0.355 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)N(C)CC1(O)CCOCC1 190731618 LJAMRPJQGRQOPO-NWDGAFQWSA-N 271.357 0.801 0 50 CCAA COC(=O)C1(CNC(=O)c2cnc(S)n2C)CC1 585089483 QHVCNRWMULOUIQ-UHFFFAOYSA-N 269.326 0.392 0 50 CCAA Cn1c(N2CCc3sccc3C2)cc(=O)n(C)c1=O 647852485 FJRCTQMHKJZFRD-UHFFFAOYSA-N 277.349 0.708 0 50 CCAA Cc1coc(C(=O)N[C@@H](C(=O)O)c2ccnn2C)c1 718555442 CSQLWACGCHANSH-SNVBAGLBSA-N 263.253 0.877 0 50 CCAA O=C(CCCN1CCCCC1=O)NC1CCNCC1 1506425001 AYTPAIHTCLKKNB-UHFFFAOYSA-N 267.373 0.647 0 50 CCAA Cc1ncsc1C(=O)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704324673 CPDQYKZIKMKDBA-TXEJJXNPSA-N 296.304 0.453 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(C1Cc3ccccc3C1)C2 1704315617 MKHQRYSNSTZKEZ-KGLIPLIRSA-N 272.348 0.601 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1nc(C)c(C)o1 643825410 PAPKGJMEPRLIQN-ZDUSSCGKSA-N 267.329 0.758 0 50 CCAA O=C(O)C[C@@H](NC(=S)NC1CCCCC1)C(=O)O 5017990 NDPFETQDYGYWOP-MRVPVSSYSA-N 274.342 0.711 0 50 CCAA Cc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@H](C)C(=O)N3C2)c1 14733037 BVCYUEWIMBOCET-XBFCOCLRSA-N 287.363 0.572 0 50 CCAA O=C(CCN1C(=O)C[C@H]2NCC[C@H]21)Nc1ccccc1 1857694323 LBDJUILLIKHSGW-CHWSQXEVSA-N 273.336 0.978 0 50 CCAA COC(=O)c1coc(CN2CCO[C@H]3C[C@H](CO)C[C@@H]32)n1 1857740897 RWNUICZJSCHFHX-USWWRNFRSA-N 296.323 0.433 0 50 CCAA O=C(N[C@@H]1CCCn2nccc21)N1CCC[C@](O)(CO)C1 637759924 ODIIACMHSRPQDX-BXUZGUMPSA-N 294.355 0.247 0 50 CCAA CCOC1(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)CCCC1 643998589 NTKPKKIEYOSIQJ-CQSZACIVSA-N 298.383 0.565 0 50 CCAA CC[C@H](C)NC(=O)CN1CCN(C[C@@H](O)C(C)(C)C)CC1 240540869 GPVXDWNAHIKQRP-UONOGXRCSA-N 299.459 0.926 0 50 CCAA O=C(O)[C@@H]1c2ccccc2OCCN1CCn1cncn1 903929321 WSZUSISGLJYWAH-ZDUSSCGKSA-N 288.307 0.798 0 50 CCAA O=C1CCCN1CCONC(=O)[C@]12C[C@H]1COC21CCC1 825565933 MTSYBECGWPKZBW-NHYWBVRUSA-N 294.351 0.616 0 50 CCAA O=C(C[C@@H]1COCCN1)N1CCO[C@H]2CCCC[C@@H]21 129019114 OTRKTJHAQFRECX-AGIUHOORSA-N 268.357 0.535 0 50 CCAA Cn1ccnc1C[C@@H]1CCCN(C(=O)C2=NNC(=O)C2)C1 1875263165 AXARHYYEAYQIBK-JTQLQIEISA-N 289.339 0.077 0 50 CCAA CO[C@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 1875362519 IKGWUDZJCDUEOO-ZNSHCXBVSA-N 291.369 0.536 0 50 CCAA O[C@@H](CN1CCn2c(nnc2C2CC2)C1)C(F)(F)F 408229032 LWQSUNMLBPPEEZ-QMMMGPOBSA-N 276.262 0.894 0 50 CCAA Cc1nccn1C[C@@H]1CCCN1Cc1cn(C)nn1 328599588 CFNNXNRSHJCTFQ-ZDUSSCGKSA-N 260.345 0.985 0 50 CCAA Cc1cn(C)nc1C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 907945943 GCIOCCXDZHETPN-ZRUFSTJUSA-N 277.324 0.958 0 50 CCAA COC[C@@H](C)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 263155108 PWWDGQNYQSWZKL-IWSPIJDZSA-N 265.331 0.004 0 50 CCAA CCN(CC)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2838458 RHWDXDHTMMNHST-UHFFFAOYSA-N 299.352 0.141 0 50 CCAA C[C@H](C1CCC1)N(C)C(=O)[C@H]1CCc2nnnn2C1 2325771244 MVCZTMURMCHWKT-KOLCDFICSA-N 263.345 0.883 0 50 CCAA CCN(CCF)C(=O)Cn1nc(O)c2ccccc2c1=O 2325800064 LOLOZJPXGODWLT-UHFFFAOYSA-N 293.298 0.920 0 50 CCAA Cc1nc2ccccc2c(=O)n1N1C(=O)CCCC1=O 2276745 PHOAZYVBWPGFPH-UHFFFAOYSA-N 271.276 0.880 0 50 CCAA CN1CCOCCOCCOCCOCCOCC1 3895798 YPCNKQAXDFDMSC-UHFFFAOYSA-N 277.361 0.015 0 50 CCAA CC(=O)N[C@H]1CCCN([C@@H](C(N)=O)c2ccc(F)cc2)C1 222040159 ZEAJEMZCYHCQEC-UONOGXRCSA-N 293.342 0.953 0 50 CCAA Cc1cc(=N)[nH]c(SCCN2C(=O)N[C@@H](C)C2=O)n1 412988956 MOBRJQQTFMCYIE-ZETCQYMHSA-N 281.341 0.230 0 50 CCAA O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc[nH]1 112056351 OOPFGANXDZGFBI-MRVPVSSYSA-N 275.230 0.908 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)COC)C1 103474086 CFCSLLVAEIMVGF-GHMZBOCLSA-N 292.401 0.199 0 50 CCAA Cc1cc(C)n(NC(=O)COC[C@@H]2CCCO2)c(=O)c1 20321478 PEYXXMJKMDLANX-LBPRGKRZSA-N 280.324 0.731 0 50 CCAA CC(C)Oc1cc(N[C@H]2CCNC2=O)nc(N)n1 65457566 SBUJYJZCDYHFMI-ZETCQYMHSA-N 251.290 0.146 0 50 CCAA COCC[C@H]1CCCCN(C(=O)CN2CCOCC2=O)C1 253432100 WJTDWWLVIXKTAM-CYBMUJFWSA-N 298.383 0.510 0 50 CCAA C=CC(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 328598138 KICJSLUDHXKJTL-UHFFFAOYSA-N 277.324 0.691 0 50 CCAA Cc1cc(NC(=O)CCN2C[C@@H](F)C[C@H]2CO)no1 330577506 RSJYAIRZIPZILU-UWVGGRQHSA-N 271.292 0.716 0 50 CCAA CC[C@@H](C(=O)N1CCC[C@H](CN2CCOCC2)C1)N(C)C 125207308 DSJBQBKSBMDCKV-CABCVRRESA-N 297.443 0.897 0 50 CCAA Cc1n[nH]c(SCCNC(=O)c2cnco2)n1 219569734 BLSLCNNUVMGYHU-UHFFFAOYSA-N 253.287 0.623 0 50 CCAA O=C(O)CN1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 71278904 JDTWOYSAVFWRNY-WDEREUQCSA-N 279.292 0.650 0 50 CCAA O=C(N[C@H]1CCO[C@@H]1C1CC1)N[C@@H]1CC[S@](=O)C1 332757276 QDGONMBKCBSZSK-CKPCYDFHSA-N 272.370 0.374 0 50 CCAA C[C@@](O)(C(=O)NC[C@@H]1CCCCS1(=O)=O)C1CC1 332810522 OUFISPQDQOFYIZ-JQWIXIFHSA-N 275.370 0.231 0 50 CCAA CN1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]c(=O)[nH]1 216530878 CEOQTCOYMDPAER-LBPRGKRZSA-N 286.335 0.490 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)NCCc2nc(=O)o[nH]2)n1 333346954 UXZWYMXJZKKPCC-SECBINFHSA-N 279.300 0.096 0 50 CCAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1[nH]c(=O)ccc1=O 241644454 PQWPDQWFFSWUMH-OUAUKWLOSA-N 279.340 0.478 0 50 CCAA CCNC(=O)C1(NC(=O)[C@H]2CCCOC2)CCCC1 241693956 QJCQUDCETLODMA-NSHDSACASA-N 268.357 0.978 0 50 CCAA N[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1 178329317 TZZZUCZDJDQISS-HRDYMLBCSA-N 293.289 0.393 0 50 CCAA Cc1noc(-c2cccnc2N2CC(C(=O)O)C2)n1 263542767 DYMUSZYLEFYMEJ-UHFFFAOYSA-N 260.253 0.961 0 50 CCAA CN(C)[C@@H]1CCC[C@H]1NC(=O)c1ccoc1CC(N)=O 613665982 NKVLNTLZKQYHLC-GHMZBOCLSA-N 279.340 0.520 0 50 CCAA C[C@H](C(=O)NCCc1ccco1)N1CCN(C)CC1 338049947 YVEWAHCWIVCHGT-GFCCVEGCSA-N 265.357 0.574 0 50 CCAA CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H]2CCO[C@@H]21 223963591 SBFCHSYOUYTKCP-OTMMVIPVSA-N 277.324 0.324 0 50 CCAA CCC1=NO[C@H](CSc2nnc(CN)n2C)C1 426578596 LSAMEWVUAHURPM-QMMMGPOBSA-N 255.347 0.921 0 50 CCAA CCNC(=O)CC(=O)NCc1ccc(CNC(C)=O)cc1 617161098 WCZNSAZJDRMJGO-UHFFFAOYSA-N 291.351 0.465 0 50 CCAA Cc1nonc1OCCNC(=O)C[C@H]1CCCOC1 426535049 FQJFESHTBRLNQR-SNVBAGLBSA-N 269.301 0.690 0 50 CCAA Cc1ccn2c(C(=O)NCC[C@@H]3CCCN3C)nnc2n1 426428849 GBYFIWURQZIRKQ-NSHDSACASA-N 288.355 0.647 0 50 CCAA CCC[C@]1(CO)CCCN(CCCn2cnnn2)C1 91712978 FMRPPMHEAJYPAL-ZDUSSCGKSA-N 267.377 0.938 0 50 CCAA CCC[C@@H]1C(=O)NCCN1c1nc(C)nc2c1cnn2C 179605102 MTOFUKATQNXQSU-LLVKDONJSA-N 288.355 0.777 0 50 CCAA Cn1cnnc1CCC(=O)NCCc1nc2ccccc2[nH]1 97743542 UGHZISPUDHTHIY-UHFFFAOYSA-N 298.350 0.983 0 50 CCAA COc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2OC)cn1 243892931 AMEDEANCOJAJHX-STQMWFEESA-N 293.367 0.928 0 50 CCAA CNC(=O)c1nc(CN(C)Cc2nc(C)cs2)no1 244691699 JHOYVKLBEZVZII-UHFFFAOYSA-N 281.341 0.826 0 50 CCAA C[C@@H](NC(=O)NCC1(O)CCN(C)CC1)c1cnn(C)c1 341177484 MMKBXCDDCNWESF-LLVKDONJSA-N 295.387 0.237 0 50 CCAA CSCc1noc(CN2CCN(C)[C@@H](CCO)C2)n1 244787823 QEGGUBNJWKZQMF-JTQLQIEISA-N 286.401 0.431 0 50 CCAA Cc1nnc(CNC(=O)CCCN2CCCC2=O)s1 252479645 BJFHGDAIXYMYIS-UHFFFAOYSA-N 282.369 0.865 0 50 CCAA C[C@H](Cn1cncn1)C(=O)N(C)CCCc1nccn1C 252504523 VJSWXYNNAOMOLP-GFCCVEGCSA-N 290.371 0.739 0 50 CCAA Nc1n[nH]c(CCN[C@@H]2CCC(=O)N(CC3CC3)CC2)n1 534650510 QYBPWINDOIEFFP-LLVKDONJSA-N 292.387 0.310 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)CCn1ccnc1CC 534576758 VOQHWWYLWWRLAF-RYUDHWBXSA-N 281.356 0.756 0 50 CCAA Cc1nnc(CNC(=O)CN2C[C@H](C)O[C@H](C)C2)s1 299756410 HXBRBDWRSAQUOK-DTORHVGOSA-N 284.385 0.572 0 50 CCAA CO[C@H]1CN(C(=O)c2ccc(OCCCN)cc2)C[C@@H]1O 299797307 NKRPCFHYYUFSFD-KBPBESRZSA-N 294.351 0.246 0 50 CCAA O=C(NC[C@@H]1COCCO1)Nc1ccc2[nH]nnc2c1 299759493 SHMNAHIIQWABJF-SECBINFHSA-N 277.284 0.495 0 50 CCAA CC(C)C(=O)N1CCC[C@@H](Nc2ccc(C(=O)O)nn2)C1 584892456 YRESVFYBFAXEJB-SNVBAGLBSA-N 292.339 1.234 0 50 CCAA CCc1[nH]nc(C(=O)NCCc2nc(N)cc(O)n2)c1C 584894395 VAYQEAFVHAZDLN-UHFFFAOYSA-N 290.327 0.331 0 50 CCAA CN1CC[C@H](NC(=O)c2cnc(C3CC3)nc2)C1=O 584897607 UQWAPKCLQIMJGJ-JTQLQIEISA-N 260.297 0.315 0 50 CCAA Cc1cccc(C[C@H](C)NC(=O)CCCn2cnnn2)n1 584889756 WTTHHZNWZRQRDZ-LBPRGKRZSA-N 288.355 0.904 0 50 CCAA CS(=O)(=O)CC1(C(=O)N2CC[C@@H](C3CC3)C2)COC1 1548677957 BSGZHTYHISNANY-LLVKDONJSA-N 287.381 0.306 0 50 CCAA CN(CCCc1ccco1)[C@H]1CS(=O)(=O)C[C@@H]1O 1565516082 RUGOJUPTTCCYFC-RYUDHWBXSA-N 273.354 0.302 0 50 CCAA COCC(C)(C)C(=O)NS(=O)(=O)c1cccnc1 165229771 UPKQMLYQHMOTCM-UHFFFAOYSA-N 272.326 0.559 0 50 CCAA CN1CCN(C(=O)C2=COCCC2)C[C@H]1c1nccn1C 276505783 CDFVQXGNLGILAH-ZDUSSCGKSA-N 290.367 0.930 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cnn(CC(=O)NC)c1 277089594 VKPNYWABEZIUMV-RYUDHWBXSA-N 294.355 0.773 0 50 CCAA C[C@@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@H]1CN 638900228 FYLFHPAFXVCFSM-DGCLKSJQSA-N 272.352 0.930 0 50 CCAA COCCN1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1=O 189926474 OKVZOEDZCBQKGK-VXGBXAGGSA-N 284.356 0.119 0 50 CCAA CCCn1cc(C(=O)Nc2ccn(CC(=O)O)n2)cn1 190945532 MKFFYCWAZNBJPP-UHFFFAOYSA-N 277.284 0.827 0 50 CCAA COC(=O)CCc1nnn(CC(=O)C(C)(C)C)n1 585118695 YPPLMOSXYKEYTI-UHFFFAOYSA-N 254.290 0.394 0 50 CCAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CC[C@]2(CCOC2)C1 246226218 HGNMJLQALQEHHA-WHPHWUKISA-N 264.369 0.999 0 50 CCAA Cc1nn(C)cc1Cn1nnc(-c2ccncn2)n1 1656597485 QAFNDHHZFKSQFR-UHFFFAOYSA-N 256.273 0.220 0 50 CCAA O=C(CCc1cc(Cl)no1)N1CC[C@H](CO)[C@@H](O)C1 1857717915 FOXKNUWKGVOERT-SCZZXKLOSA-N 288.731 0.462 0 50 CCAA CN(CCn1ccnc1)C[C@H]1CCCN(CCO)C1 1529152488 UAKBPESBXNHKMU-CQSZACIVSA-N 266.389 0.519 0 50 CCAA CCNC(=O)C1(NC(=O)c2cc[nH]n2)CCCC1 241644232 PPKKNFNYHZDUQN-UHFFFAOYSA-N 250.302 0.588 0 50 CCAA CNC(=O)CCCC(=O)N1CCOC[C@@H]1C1CC1 368810859 QBRBEYUGFBTYRX-LLVKDONJSA-N 254.330 0.540 0 50 CCAA C[C@H](CNC(=O)N[C@H](CCO)C(C)(C)C)C(=O)O 594530527 ZJZNEDKRWSNEAE-RKDXNWHRSA-N 260.334 0.803 0 50 CCAA CCOCCN1CCN(Cc2noc(C)n2)C[C@H]1C 247097405 HYIJHFBIQKTIOU-LLVKDONJSA-N 268.361 0.921 0 50 CCAA COCCN(C)C(=O)C[C@H]1C(=O)NCCN1CCC(C)C 12058134 NPIDXBNSIZMEDH-ZDUSSCGKSA-N 299.415 0.328 0 50 CCAA CS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 12371832 QVUHJFKDUNYLJQ-NSHDSACASA-N 282.321 0.713 0 50 CCAA biogenic,in-vitro C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[C@@H](C3CC3)O2)O[C@@H]1C(=O)O 1857531887 IXHFNNGKPULMEK-ALQCUDPJSA-N 297.351 0.938 0 50 CCAA Cc1ccc2nc[nH]c(=NCC[C@H]3CNCCO3)c2n1 1857698165 GGTHBSKXQVPZPG-NSHDSACASA-N 273.340 0.546 0 50 CCAA Cc1cc(C(=O)NC2(C(=O)O)CC2)ccc1-n1cncn1 237710801 HXXPTEFVRWWHAC-UHFFFAOYSA-N 286.291 0.923 0 50 CCAA Cc1cc(O)cc(=O)n1CC(=O)N1CCOC[C@H](C)C1 374352314 CHWFKECTOJIHRO-SNVBAGLBSA-N 280.324 0.357 0 50 CCAA Cc1nc(N)nc(N2C[C@H]3COC[C@@H](C2)CN3C)c1Cl 1704314481 SFISPAPRDNQUOR-ZJUUUORDSA-N 297.790 0.787 0 50 CCAA O=C(NC12CCN(CC1)C2)c1cn(Cc2ccccc2)nn1 863982097 SAURWJMDXRLLSH-UHFFFAOYSA-N 297.362 0.904 0 50 CCAA COC(OC)C(=O)N1CCN(C(=O)OCCCF)CC1 952876799 FOABRAHAPBJEJP-UHFFFAOYSA-N 292.307 0.246 0 50 CCAA CN(CC(=O)O)C(=O)[C@@H]1CC[C@]2(C1)C[C@H]2C(=O)O 1875291453 ZSSORUZDRUNULT-LWINAJNOSA-N 255.270 0.420 0 50 CCAA Cn1cc(CC(=O)N2CC[C@H](c3cc[nH]n3)C2)cn1 1875285919 GRQADIJTCUDULI-NSHDSACASA-N 259.313 0.702 0 50 CCAA O=C1NN(C2CCCCCC2)C(=O)[C@H]2OCC[C@@H]12 1875269628 JSQMIBHWHJVRSY-MNOVXSKESA-N 252.314 0.988 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)C1SCCCS1 1875333071 YQRLVEQYFLDIGC-UHFFFAOYSA-N 274.371 0.365 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)Nc2nc(C)n(C)n2)C1=O 886078210 PQIACUWCXDOHET-SNVBAGLBSA-N 295.343 0.090 0 50 CCAA COCCCS(=O)(=O)N1CCC[C@H]1C(C)(C)O 157223000 ZUVYIURHAJUQCU-JTQLQIEISA-N 265.375 0.588 0 50 CCAA OC1=NCCN1CCN1CC[C@@](O)(C(F)(F)F)C1 328673479 PELSGQMVDDCYEG-VIFPVBQESA-N 267.251 0.215 0 50 CCAA CCOC[C@H](O)CN1CCC(c2cnn(C)c2)CC1 330759405 KEHZIGIJDNHJOA-CQSZACIVSA-N 267.373 0.997 0 50 CCAA COc1ccc(CN2CCO[C@H](CCN)C2)cn1 426623365 UTSOVCDNGYTWQD-GFCCVEGCSA-N 251.330 0.640 0 50 CCAA O=C(Nc1ccccc1F)N[C@H]1CNCC[C@@H]1O 1565515366 OMBXGHJBTDLHGF-QWRGUYRKSA-N 253.277 0.670 0 50 CCAA COC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[C@@H]2F)[C@H]1C 2325839103 IWPQTLZWBDIVPZ-NMIFLECGSA-N 298.358 0.733 0 50 CCAA C[C@@H](CO)N(C)C(=O)C[C@H]1NC(=O)c2ccccc21 897258655 GEVDSJLZTZWEQU-JOYOIKCWSA-N 262.309 0.700 0 50 CCAA CCOc1ccc(N(CC(=O)NC)S(C)(=O)=O)cc1 443795 DNLDBRMIWSKAGV-UHFFFAOYSA-N 286.353 0.597 0 50 CCAA Cc1nc2ccccc2c(=O)n1NS(C)(=O)=O 1068787 HHRYLAJXDNMLIG-UHFFFAOYSA-N 253.283 0.208 0 50 CCAA Cc1ccc(N(CC(N)=O)[C@H]2SC(=O)NC2=O)cc1 1318003 CPIAGDQGPJXSIH-NSHDSACASA-N 279.321 0.596 0 50 CCAA Cn1cnc2nc(N3C[C@@H]4CCOC[C@]4(CO)C3)ncc21 2356148399 UMGSFAIOXHXBKU-IINYFYTJSA-N 289.339 0.199 0 50 CCAA Cc1cc(C)n([C@H]2CCN(C(=O)c3nc(=O)n(C)[nH]3)C2)n1 2356150332 XHNLMXKZTKUKSG-JTQLQIEISA-N 290.327 0.009 0 50 CCAA CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 6492387 KUSAFIHTRLXIST-UHFFFAOYSA-N 269.326 0.887 0 50 CCAA COc1cccc([C@H]2C[C@H](O)CN2S(C)(=O)=O)c1 225714487 BAZBZYQUHCUAEY-CMPLNLGQSA-N 271.338 0.763 0 50 CCAA Cc1ccc(NC(=O)CC(=O)N(CCO)CCO)cc1 55099498 VAVAGTFTZFIXOO-UHFFFAOYSA-N 280.324 0.137 0 50 CCAA C[C@H](CN)CNC(=O)NC[C@H]1NCCc2ccccc21 418500398 ZGMIUAVMFAUPSA-BXUZGUMPSA-N 276.384 0.767 0 50 CCAA O=C1C2[C@@H]3[C@@H]4C5[C@@H]([C@@H]2C53C(=O)O)C14Br 101081860 RPWPSPXUMDXFEM-GMWADBHESA-N 255.067 0.525 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)C1(c2ccccc2)CC1 67855980 OOWGZLIKYDWYGT-OLZOCXBDSA-N 287.363 0.392 0 50 CCAA Cc1nn(C)cc1CNC(=O)/C=C/c1cnn(C)c1 375854 MSPBOSKFSPUGPZ-SNAWJCMRSA-N 259.313 0.792 0 50 CCAA CN(C)C(=O)C1(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)CC1 329291832 QYGFGBXKELVNOT-LLVKDONJSA-N 290.367 0.604 0 50 CCAA Cc1cccc(C)c1OCC(=O)N[C@H]1CNC(=O)C1 330718939 ASCLJQUCVAUBPF-LLVKDONJSA-N 262.309 0.687 0 50 CCAA O=c1c2cnccc2ncn1CCN1CCOCC1 32558450 FFIIOJTZQLIZJB-UHFFFAOYSA-N 260.297 0.124 0 50 CCAA O=C1CSc2ncnc(N[C@@H]3C=C[C@H](CO)C3)c2N1 365954694 JYFKURSCXXUJLA-JGVFFNPUSA-N 278.337 0.870 0 50 CCAA COCC[C@@H](C)S(=O)(=O)N[C@@H]1CCCNC1 240412867 FOLGPBXBBJWGAF-NXEZZACHSA-N 250.364 0.083 0 50 CCAA O=C(N[C@H](CCn1cncn1)c1ccccc1)c1cnn[nH]1 72128940 GRTLWYTXSAGXFQ-GFCCVEGCSA-N 297.322 0.958 0 50 CCAA Cc1noc(COCC(=O)N2CCOC[C@@H](C)C2)n1 372887204 ZJEDJMKWRMVETN-VIFPVBQESA-N 269.301 0.390 0 50 CCAA COC[C@@H]1CN(Cc2cn3cccnc3n2)CCO1 172889405 ZJPQCELPTREVRX-LBPRGKRZSA-N 262.313 0.577 0 50 CCAA Cc1cc(CC(=O)NCc2nnnn2-c2ccccc2)on1 221453563 AITHJIDYDFZUMY-UHFFFAOYSA-N 298.306 0.818 0 50 CCAA CC(=O)N[C@@H]1CCN(C(=O)c2cnn(C3CC3)c2)C1 529495469 AWPBKCDJWGDGGY-LLVKDONJSA-N 262.313 0.569 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1noc2c1CCCCC2 286843981 MSEWSBBLNAOBFU-SCZZXKLOSA-N 295.314 0.981 0 50 CCAA CN(CC(=O)NC1(C(=O)O)CC1)Cc1ccccc1 426444944 MJIRHMDDVFGVCD-UHFFFAOYSA-N 262.309 0.852 0 50 CCAA COCCn1cncc1CNC(=O)[C@@H](C)n1cccn1 426439009 SADJSNRVRDZPMA-LLVKDONJSA-N 277.328 0.603 0 50 CCAA NCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 178348151 RCBPIFXESJCAAC-ZDUSSCGKSA-N 275.352 0.756 0 50 CCAA NCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 178333300 GOCJTSAFTNKYIF-GFCCVEGCSA-N 261.325 0.366 0 50 CCAA CC[C@@H](C(=O)N1CCS(=O)(=O)CC1)n1cccn1 91304548 CQKIOFDPEGMOOC-JTQLQIEISA-N 271.342 0.091 0 50 CCAA O=C(Nc1ccc(F)nc1)N1CCOC[C@H](O)C1 95520715 ZUVCHKXMFUAGII-SECBINFHSA-N 255.249 0.446 0 50 CCAA CO[C@@H]1CCCN(Cc2[nH]c(=O)[nH]c2C(=O)O)C1 97347276 ZVGVEHIARMFMSH-SSDOTTSWSA-N 255.274 0.012 0 50 CCAA c1cncc(CCCN2CCN(c3nc[nH]n3)CC2)c1 243893144 AOJJCGFVOPLWFZ-UHFFFAOYSA-N 272.356 0.955 0 50 CCAA CCN(CC(=O)N1C[C@@H](OC)[C@H](c2cnn[nH]2)C1)C1CC1 622166997 FMTFCIIFUJBQFA-WCQYABFASA-N 293.371 0.230 0 50 CCAA C[C@H](C(=O)O)N(C)C(=O)CCCN1C(=O)NC(C)(C)C1=O 299752800 VMHXLHAVCUZOQH-MRVPVSSYSA-N 299.327 0.029 0 50 CCAA CC[C@@H](NC(=O)Cn1cnnn1)c1ncccc1C 534654314 MNOXTIRDWQYCTG-SNVBAGLBSA-N 260.301 0.644 0 50 CCAA O=C(CCC(F)(F)F)NC[C@@H]1CCNC[C@H]1O 534663404 IWSZVGHLEOPQOZ-JGVFFNPUSA-N 254.252 0.416 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)c1[nH]cnc1C(=O)O 299780169 TYDWDNGZFSGVSR-SSDOTTSWSA-N 292.299 0.600 0 50 CCAA Cc1c[nH]c(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)n1 299790728 BGEFQBRCJHQNDK-NWDGAFQWSA-N 274.328 0.655 0 50 CCAA O=C(CCCN1CCOCC1)N[C@H]1CCc2c[nH]nc2C1 828015089 PLRLKYVSQNHGEJ-ZDUSSCGKSA-N 292.383 0.496 0 50 CCAA CC(=O)NCCC(=O)N[C@@H](CO)c1ccc(F)cc1 670434570 KQPMPQAOZIFSLW-LBPRGKRZSA-N 268.288 0.502 0 50 CCAA Cc1cccc(CCN2CCO[C@H](C(=O)N(C)C)C2)n1 670467148 PDMAFGGCIUQPIS-AWEZNQCLSA-N 277.368 0.722 0 50 CCAA Cn1cncc1[C@@H](N)C1(O)CN(C(=O)OC(C)(C)C)C1 958527853 GQHBUANZHRCXFL-SNVBAGLBSA-N 282.344 0.402 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)NCc1nnc2ccccn12 952968131 ATYKLWYTWYOUKG-NSHDSACASA-N 284.323 0.878 0 50 CCAA CCc1nnc2ccc(NCC(C)(C)C(=O)NC)nn12 269389692 CEOQNWHFWCMSSX-UHFFFAOYSA-N 276.344 0.871 0 50 CCAA CCCn1ncnc1Cn1cnc2cnn(CC)c2c1=O 631019009 GOMZJXFSBINXFD-UHFFFAOYSA-N 287.327 0.663 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCN[C@H](C)C1 188412997 PSCDJNUWYHOKBP-SECBINFHSA-N 266.345 0.236 0 50 CCAA CC(C)(NS(C)(=O)=O)c1cn(CC2CCC2)nn1 640947756 QNYFWRNBGSLVHN-UHFFFAOYSA-N 272.374 0.863 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1CC2CC1(C(F)F)C2 585007321 WRSLHSHBKQQDBM-UHFFFAOYSA-N 293.078 0.774 0 50 CCAA Cn1ccnc1CNC(=O)[C@H]1NCCOc2ccccc21 1615613805 BWQUQLYKJHIGOG-AWEZNQCLSA-N 286.335 0.760 0 50 CCAA O=C(Nc1cc2n(n1)CCNC2)[C@@H]1NCC12CCCC2 1649118316 CYIQZZFRIKJOFT-LBPRGKRZSA-N 275.356 0.457 0 50 CCAA C[C@H](O)C(=O)N1CCN(CC[C@@H]2CCCCN2C)CC1 346171483 RYSWHCOWNGJKKR-KBPBESRZSA-N 283.416 0.386 0 50 CCAA CN(C)CC(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 12587170 JDVKIPDUZJFEFQ-AWEZNQCLSA-N 289.379 0.508 0 50 CCAA CC(C)(C)CN1C[C@@H](NC(=O)c2csnn2)CC1=O 12707769 HNKCEORDNOWXAU-QMMMGPOBSA-N 282.369 0.915 0 50 CCAA CN1CC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C1=O 14755550 ACCYUOHGRUVUKP-CYBMUJFWSA-N 273.336 0.171 0 50 CCAA Cn1ncnc1-c1ccnc(NCCCn2cccn2)n1 19787304 NACRPGDCMNCHFM-UHFFFAOYSA-N 284.327 0.971 0 50 CCAA COCc1cc(CNC(=O)[C@@H]2CCc3ncnn3C2)[nH]n1 1857715681 COXMECWVYKMFED-SECBINFHSA-N 290.327 0.026 0 50 CCAA Cc1cc(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)co1 636213977 GFYXBQHIASCHDU-GFCCVEGCSA-N 276.296 0.721 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cn(CCC(C)C)nn2)C1 332658209 ANVNGAKCEXZPRV-NWDGAFQWSA-N 296.371 0.546 0 50 CCAA O=C(CN1C[C@H](O)C[C@H]1CO)N1CCCc2ccccc21 245667585 HJRQZIWXTFDXLR-UONOGXRCSA-N 290.363 0.393 0 50 CCAA CC(C)n1ccc(CNC(=O)[C@H]2CN(C)C(=O)N2)n1 668992874 WXNUZQPPWWSLCZ-SNVBAGLBSA-N 265.317 0.104 0 50 CCAA Cc1nn(CC(=O)N2CCNC[C@@H]2C)c(C)c1Cl 126308754 JMDQNQDYCIIHGH-QMMMGPOBSA-N 270.764 0.974 0 50 CCAA COc1cnc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)nc1 1704300026 URFVDGKNVITLFB-UKRRQHHQSA-N 292.383 0.768 0 50 CCAA CN[C@H]1CCN(C(=O)c2cc(-c3ccncc3)nn2C)C1 911660267 JFWKLNAWXSSUJE-LBPRGKRZSA-N 285.351 0.916 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CCO[C@H](COC)C2)n1 823744784 ZQKBHOQELZWNNH-NSHDSACASA-N 297.359 0.163 0 50 CCAA C[C@H]1c2cccn2CCN1C(=O)CC[C@H]1NC(=O)NC1=O 1248600904 PQYPLFAGTYDJMS-VHSXEESVSA-N 290.323 0.380 0 50 CCAA Cc1cnc(CN2C[C@H](n3ccnn3)[C@H](N(C)C)C2)[nH]1 862498748 WSQHNAHVJPRFCX-NEPJUHHUSA-N 275.360 0.297 0 50 CCAA Nc1cc(N2CCO[C@H](Cn3cccn3)C2)ncn1 1875253051 SNOOMBJPLUEACI-JTQLQIEISA-N 260.301 0.161 0 50 CCAA C[S@@](=N)(=O)[C@H]1C[C@H](C(=O)NCC2(n3nccn3)CC2)C1 1875408131 PAWHCYNYHCZGTH-ODXZIHIVSA-N 297.384 0.339 0 50 CCAA O=C(O)[C@]1(N2CCN(Cc3cccnc3)CC2)CCOC1 886071916 PRMMXKRLAYDQBE-HNNXBMFYSA-N 291.351 0.443 0 50 CCAA CC(C)C[C@@H]1CN(C)CCN1C(=O)CCn1ccnn1 886590764 DFIMZPFCFFDIOR-CYBMUJFWSA-N 279.388 0.857 0 50 CCAA CCOc1cc(C(=O)NC[C@@H]2CCc3nccn3C2)[nH]n1 1775988139 NICOCULDIMQARN-JTQLQIEISA-N 289.339 0.997 0 50 CCAA Cc1cccc2cnn(CCS(C)(=O)=O)c(=O)c12 899350625 JWTZPRQIMUTNOA-UHFFFAOYSA-N 266.322 0.750 0 50 CCAA CCO[C@H]1CCCN(C(=O)C2(OC)CCNCC2)C1 151897334 HRSFDHDWVJPGFB-LBPRGKRZSA-N 270.373 0.783 0 50 CCAA Cc1nc(CNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)no1 262725492 SDLDJCBFTBVVKF-KYZUINATSA-N 267.285 0.885 0 50 CCAA CCc1ocnc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 299792788 GTCQVMIXNNYPQL-QMSLJYSESA-N 250.254 0.640 0 50 CCAA CN(C)c1cc[n+](C[C@@H](Br)C(N)=O)cc1 5342473 GGXUHXRIOZJZLL-SECBINFHSA-O 273.154 0.289 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)CCOCC(F)(F)F 393523585 VYHBQMWEBYMZAK-JGVFFNPUSA-N 282.262 0.739 0 50 CCAA O=C(O)C[C@H](NC(=O)c1cncnc1)C(F)(F)F 829371825 PVXWDGPKUPIBPJ-LURJTMIESA-N 263.175 0.612 0 50 CCAA CN1CC[C@H](O)[C@H](C(=O)NCc2ccc3c(c2)CCO3)C1 2100554942 IVXCHPMKEONTOC-KGLIPLIRSA-N 290.363 0.550 0 50 CCAA O=C(NC1Cc2cscc2C1)[C@@H]1C[C@H]1c1nn[nH]n1 2325814552 AAZOBRPUMLAVFH-NXEZZACHSA-N 275.337 0.648 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCCC(=O)[C@@H]1C 885053233 FJFYQMMQNJQQHP-JTQLQIEISA-N 252.314 0.601 0 50 CCAA O=C(NCC12CC(C1)C2)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 2332239202 WCYHIRMREKQFES-SQQOQNIQSA-N 277.320 0.623 0 50 CCAA Nc1ccc(S(=O)(=O)c2ccc(N)c(N)c2)cc1N 235603 JKETWUADWJKEKN-UHFFFAOYSA-N 278.337 0.848 0 50 CCAA CCOC(=O)c1nc(S(C)(=O)=O)ncc1Cl 408296 IGPUJHRBDQDWSZ-UHFFFAOYSA-N 264.690 0.710 0 50 CCAA COn1c(=O)c(-c2ccco2)[n+]([O-])c2ccccc21 619770 AWQYUJQJJHFRMA-UHFFFAOYSA-N 258.233 0.953 0 50 CCAA COC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)O 1564877 OPZWAOJFQFYYIX-KOLCDFICSA-N 267.281 0.835 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@]23CCCNC3=O)nc(C)n1 2356165516 CFDKPTSVGNCMRI-OAHLLOKOSA-N 288.351 0.978 0 50 CCAA CC1(C)NC(=O)N(C[C@@H](O)CN2CCCCC2)C1=O 6263398 PQZUVURJXRIBLD-JTQLQIEISA-N 269.345 0.164 0 50 CCAA C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 115404048 QYZHCSDQTRLEDP-VXGBXAGGSA-N 290.367 0.828 0 50 CCAA N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cnc2n1CCCC2 67833940 FTOUBPXBWPOMCR-JTQLQIEISA-N 274.328 0.451 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccon1 250156545 DOWXGYHIBZTAJH-OINDSLJFSA-N 262.265 0.814 0 50 CCAA COC(=O)[C@H](c1cccnc1)N1CCc2nn[nH]c2C1 351614398 GWNBNIWGPKWQLF-LBPRGKRZSA-N 273.296 0.472 0 50 CCAA CN1CCC2(CCN(c3ncc(C#N)c(N)n3)CC2)C1 65529894 YIGGOQYQXDDXIZ-UHFFFAOYSA-N 272.356 0.853 0 50 CCAA CN(CCNC(=O)c1ccc2c(c1)CCO2)S(C)(=O)=O 67871387 KWIQUDIAKBDJNO-UHFFFAOYSA-N 298.364 0.243 0 50 CCAA CN1CCO[C@@H]2CN(C(=O)c3ncncc3Cl)C[C@@H]21 329170390 JMZLMIGZMMRGHZ-VHSXEESVSA-N 282.731 0.285 0 50 CCAA CC(=O)N[C@@H]1CN(CC(=O)O)C[C@H]1c1ccc(C)cc1 77427230 HOJWQDIIHMFSCW-UONOGXRCSA-N 276.336 0.984 0 50 CCAA C[C@H](OCCCNC(=O)[C@H]1C[C@H](O)CN1)c1ccccc1 150768753 DDXOPMJUZDQRIW-AEGPPILISA-N 292.379 0.993 0 50 CCAA COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)O 364164760 BYGNIAWUYMVZRN-QMMMGPOBSA-N 251.238 0.720 0 50 CCAA Cc1cc(C(=O)NC[C@H]2CNC[C@H]2O)c2[nH]ncc2c1 262117496 FRCVUSRPPYGGRI-ZYHUDNBSSA-N 274.324 0.181 0 50 CCAA COC[C@]1(C)CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)C1 332737224 WVWAPORPDCTWEM-GRYCIOLGSA-N 277.386 0.852 0 50 CCAA COc1cc(C)sc1C(=O)N1CCO[C@@H](C(=O)O)C1 262983717 NLRPNUJWOWXGDG-SECBINFHSA-N 285.321 0.991 0 50 CCAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)c2cccc(C(N)=O)c2)C1 263363131 SLDIFACLHXJRGD-SKDRFNHKSA-N 290.319 0.968 0 50 CCAA Cc1nc[nH]c1C(=O)N1CCC(N2CCC[C@H](O)C2)CC1 72153650 NUWZCDXJUMAAPA-ZDUSSCGKSA-N 292.383 0.779 0 50 CCAA O=C(NCC1CC1)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 173039524 VOQBAYYPONOMBN-LLVKDONJSA-N 286.397 0.717 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(CC)C1 336117912 VAWNDGMKXCCHIB-QWRGUYRKSA-N 254.330 0.840 0 50 CCAA Cc1noc([C@@H]2CN(Cc3ccnn3C)CCN2C)n1 285593194 UBDSDNBAKIVHPZ-LBPRGKRZSA-N 276.344 0.600 0 50 CCAA COC1=C(OC)[C@](O)(C2=CCCC[C@H]2OC)C1=O 43199076 FQZCFGIEZJTGPO-RNCFNFMXSA-N 254.282 0.930 0 50 CCAA Cc1cc(=O)cc(C(=O)NCC2(N(C)C)CCOCC2)o1 222239066 KIZBPLPHBQMXSQ-UHFFFAOYSA-N 294.351 0.789 0 50 CCAA NCCCOc1ccc(F)cc1C(=O)N1CC(O)C1 426658561 USHYTTWJEOFZMH-UHFFFAOYSA-N 268.288 0.370 0 50 CCAA Cc1ccc(CCNC(=O)N2CCN3C(=O)OC[C@H]3C2)o1 426527654 DFJSGTVKEIIKAC-LLVKDONJSA-N 293.323 0.977 0 50 CCAA COCCCn1cnnc1CNC(=O)[C@@H]1CC1(C)C 426387182 ZIOASWYLZNMIIY-JTQLQIEISA-N 266.345 0.977 0 50 CCAA COCc1ccc(C(=O)N[C@H]2C=CS(=O)(=O)C2)s1 97553289 LJVPKYLQJHFRFK-QMMMGPOBSA-N 287.362 0.935 0 50 CCAA CC1=NO[C@H](C(=O)NCCCn2nc(C)nc2C)C1 244840349 ULIHRRIASYHJMT-NSHDSACASA-N 265.317 0.566 0 50 CCAA Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CCN(C)C1=O 349156991 YCEBSEUISKNHKD-NSHDSACASA-N 264.329 0.306 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2CCCCN2)CC1=O 299750932 OUWYHQLMTXDLBD-RHYQMDGZSA-N 265.357 0.254 0 50 CCAA CC(C)c1nc(CN2C[C@H](O)C[C@H]2C(=O)O)co1 252509652 YTCAKFUICIRZDC-ZJUUUORDSA-N 254.286 0.818 0 50 CCAA CCO[C@H](C)C(=O)NCCc1nc(C(=O)O)cs1 263050676 NVFXNNWOTVRHHW-SSDOTTSWSA-N 272.326 0.925 0 50 CCAA Cn1nccc1CCC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 534583381 BIIYPVVYWDJZGG-VXGBXAGGSA-N 276.340 0.289 0 50 CCAA CCCC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299787141 PKIZRMXPKVWRFT-WDEREUQCSA-N 250.302 0.750 0 50 CCAA Cc1n[nH]nc1C(=O)NCC1CCN(C(=O)C(C)C)CC1 299798967 WPCJDILHUWWVTN-UHFFFAOYSA-N 293.371 0.738 0 50 CCAA O=C(Cc1ccncc1)NCCN1CCC[C@H](CO)C1 828711116 GEOMEHMHGUBCDQ-AWEZNQCLSA-N 277.368 0.445 0 50 CCAA O=S(=O)(NCC1(CN2CCCC2)CC1)N1CCCC1 828388688 XYFSJIHJTOZOTG-UHFFFAOYSA-N 287.429 0.793 0 50 CCAA CN(C)C(=O)NCC(=O)NCCCC[C@H]1CCCO1 584901969 JSGRZQKBYFBQDU-NSHDSACASA-N 271.361 0.723 0 50 CCAA CCNc1nc(C)c(C(=O)NCc2nonc2C)s1 584889235 PYFYZHYTYOWNIW-UHFFFAOYSA-N 281.341 1.505 0 50 CCAA CN1CCCN(CC(=O)N2CC[C@H](O)CC(C)(C)C2)CC1 584901417 CMQIVUXVJZYNIS-AWEZNQCLSA-N 297.443 0.633 0 50 CCAA C[C@H](CC(=O)NCCCC(=O)O)C1CCNCC1 1326957590 XPRHLQFEZPKQNV-SNVBAGLBSA-N 256.346 0.993 0 50 CCAA Cc1noc([C@]23CCC[C@H]2CN(c2nnnn2C)C3)n1 685940416 KNAPHUUTJMOFPY-CABZTGNLSA-N 275.316 0.460 0 50 CCAA CSc1ncccc1C(=O)N1CC[C@](C)(O)[C@@H](O)C1 96149773 BAGGSFNXZGLSGG-GWCFXTLKSA-N 282.365 0.761 0 50 CCAA CN(C[C@@H]1CCCOC1)S(=O)(=O)c1ccnn1C 274119431 FJZNQYIAIMFMFK-JTQLQIEISA-N 273.358 0.467 0 50 CCAA CC(C)(C)CCN1CCN([C@H]2CCC(=O)NC2=O)CC1 170596442 DFAYBLFELLCPQW-LBPRGKRZSA-N 281.400 0.845 0 50 CCAA O=C(NCCN1Cc2ccccc2C1)[C@H]1COCCO1 170597051 JJQJLOOQEPBPAR-CQSZACIVSA-N 276.336 0.534 0 50 CCAA Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)nc1Cl 170684818 KKHORIGWHQUWRL-HTQZYQBOSA-N 292.792 0.479 0 50 CCAA Cc1[nH]ccc1C(=O)N1CCC[C@@](O)(CC(N)=O)C1 644003279 DYKUWUAQDYDMHT-CYBMUJFWSA-N 265.313 0.166 0 50 CCAA CN(C(=O)C[C@@H]1CS(=O)(=O)CCN1C)c1cccnc1 644348152 MKRIZULKFLSABI-GFCCVEGCSA-N 297.380 0.163 0 50 CCAA CCC1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 585129249 CRFWGKOBXDTJSL-UHFFFAOYSA-N 251.330 0.986 0 50 CCAA CC(C)n1cc(NC(=O)NC[C@H]2CNCCCO2)cn1 570865598 FMGMFWPTEWUXGA-GFCCVEGCSA-N 281.360 0.964 0 50 CCAA Cc1cc(C(=O)N[C@H](CO)c2ccnn2C)nn1C(F)F 1614646707 OMPGYLYAOKETDQ-SECBINFHSA-N 299.281 0.784 0 50 CCAA Cc1noc([C@H](NC(=O)c2cn(CCN)nn2)C(C)C)n1 1615549662 JNGCFCCKVUAZQP-SNVBAGLBSA-N 293.331 0.055 0 50 CCAA Nc1ccnc(N[C@H]2CCCN(c3ncccn3)C2)n1 1506408119 VJAKZRQOCUZIKI-JTQLQIEISA-N 271.328 0.930 0 50 CCAA CCCN1C[C@H](Nc2nc(OC)cc(OC)n2)CC1=O 1506414086 NPIHNXDXTQLENR-SECBINFHSA-N 280.328 0.917 0 50 CCAA C[C@H](CC(=O)N=c1ccn(CC(=O)O)[nH]1)C(F)(F)F 630134633 CJDZDRNOSALBOG-ZCFIWIBFSA-N 279.218 0.917 0 50 CCAA CCn1ccc(CC(=O)N2CCCC[C@@H]2C(N)=O)n1 651087649 GTTFZQUAGJKEAT-LLVKDONJSA-N 264.329 0.312 0 50 CCAA Cc1noc(CCC(=O)N2CCC[C@@H](C)[C@H]2CN)n1 237495950 NDOOCKCAUVHJGN-MWLCHTKSSA-N 266.345 0.896 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)Cc1ccnn1C 344818446 RPWPTXYFSSBBNT-NWDGAFQWSA-N 267.329 0.225 0 50 CCAA Nc1n[nH]c(C2CCN(CC[C@H]3COCCO3)CC2)n1 1800412323 YBKGZBOCTAHXPH-NSHDSACASA-N 281.360 0.372 0 50 CCAA CC[C@H](C)[C@H](C)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 365018922 PHCWVMCFVZFDGW-GARJFASQSA-N 276.402 0.948 0 50 CCAA C[C@H]1CCCN(CC(=O)N(CCO)Cc2ncc[nH]2)C1 1704339724 JXTZNDLJXPZAEM-LBPRGKRZSA-N 280.372 0.463 0 50 CCAA O=C(O)CCCn1c(-c2ncccn2)noc1=O 579231885 XXNLBRMGKPFZIL-UHFFFAOYSA-N 250.214 0.158 0 50 CCAA COc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1Cl 4857718 MBKAWIIODCFZIV-LURJTMIESA-N 292.744 0.501 0 50 CCAA CC[C@@]12COC(=O)N1CCN(Cc1cnn(C)c1)C2 1857728181 QSMNGAPCIIZIRX-CYBMUJFWSA-N 264.329 0.837 0 50 CCAA CCC[C@H]1C=CCN1C(=O)c1cnc(C(N)=O)cn1 1772709436 JTENWNUSRLXRTR-VIFPVBQESA-N 260.297 0.756 0 50 CCAA O=C1CC[C@H](NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C(=O)N1 247180412 RXXWCHQYIPLSAI-NAKRPEOUSA-N 264.325 0.734 0 50 CCAA COCc1cc(CNC(=O)[C@H]2CCc3ncnn3C2)[nH]n1 1857715682 COXMECWVYKMFED-VIFPVBQESA-N 290.327 0.026 0 50 CCAA COC(=O)C1CCN(C(=O)[C@@H]2CCc3ncnn3C2)CC1 1857731178 BOXIDOJJCMLISS-LLVKDONJSA-N 292.339 0.252 0 50 CCAA Cn1nc(-c2cccnc2)cc1NC(=O)C1=NNC(=O)CC1 1875244852 XEZKBRSFMXNKAL-UHFFFAOYSA-N 298.306 0.687 0 50 CCAA C[C@@H](NC(=O)[C@H]1COCCO1)c1ncc(C(=O)O)s1 621609193 HPGDMURPOFJZGC-RNFRBKRXSA-N 286.309 0.434 0 50 CCAA CN(C[C@@H]1CCCO1)C(=O)[C@H](NC(N)=O)C(C)(C)C 253404907 VUMUOBKILQEIMY-UWVGGRQHSA-N 271.361 0.707 0 50 CCAA COCC1(S(=O)(=O)N2CCC[C@@H]3C[C@@]32C(=O)O)CC1 926604403 DZIPONIYJBFMRZ-SKDRFNHKSA-N 289.353 0.434 0 50 CCAA O=C(Cn1nnc2ccccc21)NC[C@H](O)C(F)(F)F 952875478 NHDFKNDWPCLYEB-VIFPVBQESA-N 288.229 0.471 0 50 CCAA C[C@]1(C(=O)NOCCN2CCCC2=O)C[C@H]2CC[C@@H]1O2 1875294971 ZYLUYJVVZARALX-SUNKGSAMSA-N 282.340 0.614 0 50 CCAA Cn1ccc(CS(=O)(=O)NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)n1 1875304115 AKRLZPQIOMFROY-MYJAWHEDSA-N 283.353 0.412 0 50 CCAA C=CC(=O)N(C)CC(=O)N1Cc2ccnn2C[C@H]1C 1875370666 YEGMWMZZXDCKLG-SNVBAGLBSA-N 262.313 0.258 0 50 CCAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC(=O)N2CCOCC2)C1 888077606 LBRBIDUEIGOPNE-VXGBXAGGSA-N 294.355 0.030 0 50 CCAA Cc1nc[nH]c1S(=O)(=O)NC(=O)C[C@@H]1C=CCC1 1775992893 OUZBUMFOLAQKOA-SECBINFHSA-N 269.326 0.879 0 50 CCAA O=S(=O)(NCc1cc[nH]n1)C1Cc2ccccc2C1 631744309 AYUYRJMQOBVFCX-UHFFFAOYSA-N 277.349 0.997 0 50 CCAA Cc1ccnc(Cn2cc(S(C)(=O)=O)cn2)n1 901603745 SZIXEXAHMCBLSF-UHFFFAOYSA-N 252.299 0.433 0 50 CCAA Cn1ccnc1[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2N)C[C@H]1N 2325774934 IGDZVVCPYUXYSM-UMSGYPCISA-N 291.399 0.191 0 50 CCAA Cn1cnc(C(=O)NCc2n[nH]cc2C2CCC2)cc1=O 2325803323 AACWYBITMZCNEZ-UHFFFAOYSA-N 287.323 0.701 0 50 CCAA CCc1cc(NC(=O)NCCN2CCO[C@H](C)C2)nn1C 931778144 LTCCNUTWPFVOCQ-LLVKDONJSA-N 295.387 0.825 0 50 CCAA O=S1(=O)Cc2cc3c(cc2C1)CS(=O)(=O)C3 393287 RQIDWKGQJSYMBE-UHFFFAOYSA-N 258.320 0.543 0 50 CCAA CC(=O)c1cccc(-n2nnnc2S(C)(=O)=O)c1 611449 DKXJEVDXHCBMRP-UHFFFAOYSA-N 266.282 0.268 0 50 CCAA Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 874018 XTPPHZWDRNGVTM-JTQLQIEISA-N 270.310 0.507 0 50 CCAA O=C1CCCN1C(=O)CS(=O)(=O)c1ccccc1 1860208 IJGGKBMTKCJJEX-UHFFFAOYSA-N 267.306 0.609 0 50 CCAA Cn1cnc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1 2560854 UCKFPCXOYMKRSO-SECBINFHSA-N 269.301 0.941 0 50 CCAA C[C@@]1(NC(=O)Nc2ccc(C(N)=O)nc2)CCOC1 119093675 KBLAZZNHQICIII-GFCCVEGCSA-N 264.285 0.481 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](n2cc(-c3cccnc3)nn2)CN1 67851649 RPSBMIRMBFZIJS-NEPJUHHUSA-N 286.339 0.379 0 50 CCAA COc1ccc(C)cc1-n1cnnc1Cc1nnn[nH]1 67833357 GCOIADDUSMPBSE-UHFFFAOYSA-N 271.284 0.688 0 50 CCAA O=C(O)Cn1ccc(NC(=O)c2n[nH]c3c2CCCC3)n1 123007870 XHPBLHWZQHQHGV-UHFFFAOYSA-N 289.295 0.822 0 50 CCAA C[C@H](NC(=O)C[C@@H](O)Cc1ccccc1)c1nncn1C 362522514 XZYZJXHEIWNZHC-AAEUAGOBSA-N 288.351 0.986 0 50 CCAA CCCCCOCC(=O)N1CCN(CC(=O)OC)CC1 356927663 DQRIBEZABXCBGM-UHFFFAOYSA-N 286.372 0.510 0 50 CCAA O=C(O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 363785610 CEPMZVORDJBTTJ-VIFPVBQESA-N 266.272 0.995 0 50 CCAA C[C@H]1CCOCCN1C(=O)COc1ccc(C(N)=O)cc1 362238815 OYFGKMSGYIWHNY-NSHDSACASA-N 292.335 0.802 0 50 CCAA COCc1noc(CN2C[C@@H](COC)OC(C)(C)C2)n1 330519448 GYABRERZMICWET-JTQLQIEISA-N 285.344 0.842 0 50 CCAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1noc(C)n1 331542946 HXKKFOWYRODMEI-UWVGGRQHSA-N 291.311 0.854 0 50 CCAA CCCn1ccnc1CN1CC[C@H](CO)[C@H](O)C1 72164563 XNYQGKXUOUYZKE-VXGBXAGGSA-N 253.346 0.468 0 50 CCAA C[C@H]1CN(C(=O)c2cc(CO)ccn2)CCCO1 216175921 RVAVMLAMDMMVLC-JTQLQIEISA-N 250.298 0.825 0 50 CCAA CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](N)C1 157947493 PLCPYZJTMAZNMN-JTQLQIEISA-N 282.365 0.653 0 50 CCAA Nc1nc2c(c(=O)[nH]1)CCN(C(=O)NC1CCCCC1)C2 72151906 MCFFWZAQAMDYOG-UHFFFAOYSA-N 291.355 0.753 0 50 CCAA O=C(N[C@H](C1CCC1)C1CC1)N1C[C@@H](O)C[C@H]1CO 333555013 GEWLBUMRWKKKNB-RWMBFGLXSA-N 268.357 0.702 0 50 CCAA CN1[C@H]2CC[C@@H]1CN(C(=O)c1cn3c(n1)CNCC3)CC2 72129371 DMMMIAOLOOCKEK-NWDGAFQWSA-N 289.383 0.295 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCN(C)C(=O)C2)C1 241795517 RZULOUDHRPOGSR-MNOVXSKESA-N 289.401 0.174 0 50 CCAA Cc1cnn(C[C@H](C)N[C@H](C)C(=O)NC[C@H]2CCCO2)c1 242273449 YCUAQBRNWXVZJU-BFHYXJOUSA-N 294.399 0.853 0 50 CCAA Cn1cccc1[C@H]1COCCN1CC1OCCO1 131820319 BRSROMVOJUZFGN-GFCCVEGCSA-N 252.314 0.771 0 50 CCAA CNc1nc(C)cc(C(=O)N[C@@]2(C)CCOC2)n1 287761368 QPPCSGFKEROUDQ-LBPRGKRZSA-N 250.302 0.736 0 50 CCAA Cn1ncc2c(N3CC[C@]4(CCOC4)C3)ncnc21 176788906 RPZQWZSSOMYAQP-ZDUSSCGKSA-N 259.313 0.980 0 50 CCAA NS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1 223014701 XBEJQWSBFMKAMN-WOPDTQHZSA-N 296.348 0.241 0 50 CCAA Cc1noc(C)c1CCCNC(=O)CN1CCN(C)C1=O 426477248 QKXWLDFLOZHEPU-UHFFFAOYSA-N 294.355 0.708 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)c2cnccc2C)[C@H](O)C1 426581281 PLNZZPHOQGXDBS-CHWSQXEVSA-N 277.324 0.102 0 50 CCAA CN(C)CCN(C)C[C@@H]1CN(c2cnccn2)C[C@@H]1CO 91474140 PWJRGVWTAXGCHL-ZIAGYGMSSA-N 293.415 0.015 0 50 CCAA OCCO[C@H]1C[C@@H](O)C12CCN(C1CCOCC1)CC2 91663791 UPOOFDVOIYTLOG-KGLIPLIRSA-N 285.384 0.390 0 50 CCAA Cc1cnc(N)nc1N1CCC[C@@](O)(CN(C)C)C1 91526662 FCJIWOIDCSTYCM-CYBMUJFWSA-N 265.361 0.260 0 50 CCAA CN1CCCC[C@@H]1CCC(=O)NCCc1cc(=O)[nH]cn1 95355770 WYJVTETZTGFGRX-CYBMUJFWSA-N 292.383 0.693 0 50 CCAA CC1(C)NC(=O)N(CC(=O)NCC[C@H]2CCCOC2)C1=O 529596980 JPKYBCXKZDVCSZ-SNVBAGLBSA-N 297.355 0.250 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2cccc3c2OCO3)CCO1 299750735 OFUMYEYGZWQGHQ-JTQLQIEISA-N 279.248 0.341 0 50 CCAA COCc1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2OC)s1 534637034 MFXQWJUYMYGEGF-QWRGUYRKSA-N 284.381 0.953 0 50 CCAA CN(C)C(=O)NCC(=O)NCC1(CN2CCCC2)CC1 534634736 RLKWUGDHQRBTFF-UHFFFAOYSA-N 282.388 0.250 0 50 CCAA COc1cc(OC)nc(N2CC[C@@H](CN(C)C)C2)n1 293010915 IGTCONKGDNKSSB-JTQLQIEISA-N 266.345 0.882 0 50 CCAA CC(C)CNC(=O)[C@@H](C)N1CCN(c2nc[nH]n2)CC1 299772419 WWRAZGPRERTGQO-LLVKDONJSA-N 280.376 0.087 0 50 CCAA CCN1CCNC(=O)[C@H]1CC(=O)NCCc1nccs1 299786977 OJKWEOCUGOPJOP-SNVBAGLBSA-N 296.396 0.012 0 50 CCAA CC1(C)CC(NCCc2nc(N)n[nH]2)CC(C)(C)N1 827547418 XTFIGRQOLUYVCQ-UHFFFAOYSA-N 266.393 0.828 0 50 CCAA NC(=O)C1(NC(=O)c2cnc(N)s2)CCCCCC1 584896076 STFVZTJTLPNMCS-UHFFFAOYSA-N 282.369 1.033 0 50 CCAA CN(Cc1nncn1C)C(=O)CCCN1CCCC1 670462942 JUZZUHXKOPYHLI-UHFFFAOYSA-N 265.361 0.650 0 50 CCAA CCN(C)C(=O)Cn1nnnc1N1CCC[C@H](C)[C@@H]1C 685945075 RYYFAZGDSGNHCC-QWRGUYRKSA-N 280.376 0.776 0 50 CCAA CC(C)(CNCc1nc(O)n[nH]1)N1CCCCC1 952984066 NJADVKRKGZGJPG-UHFFFAOYSA-N 253.350 0.864 0 50 CCAA CC[C@@H](c1ccccn1)N(C)C(=O)Cn1cnnn1 952860048 AXYLSEVXPWECHR-NSHDSACASA-N 260.301 0.678 0 50 CCAA O=C(NC[C@@H]1CCCCN1CCO)[C@H]1CCCOC1 408519920 RKBQXXZDCPWLGD-STQMWFEESA-N 270.373 0.376 0 50 CCAA CCc1cnc(CC(=O)Nc2c[nH]c(C(N)=O)c2)[nH]1 1465968977 XZYUNYQSDFHJHF-UHFFFAOYSA-N 261.285 0.580 0 50 CCAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N(C)[C@H](C)CS(C)(=O)=O 407969576 XZARPDWCUHFBNH-ZDCRXTMVSA-N 277.386 0.691 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)CC1 408010591 PJQFSMHZTZQBDQ-SFYZADRCSA-N 294.273 0.427 0 50 CCAA CNC(=O)C1CN(C(=O)[C@@H]2Oc3ccccc3[C@H]2C)C1 170082684 KZCXJSPGVPIUAX-NOZJJQNGSA-N 274.320 0.756 0 50 CCAA COCCN1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1=O 189926527 OKVZOEDZCBQKGK-RYUDHWBXSA-N 284.356 0.119 0 50 CCAA CCn1nccc1C(=O)N1CCCC[C@H]1C(N)=O 681276398 PKYZAONUAXLIFL-VIFPVBQESA-N 250.302 0.383 0 50 CCAA O=C(O)c1nccnc1NC[C@H]1CC(=O)N(C2CC2)C1 1506422634 FATIFVDSDAHQKD-MRVPVSSYSA-N 276.296 0.598 0 50 CCAA COC[C@@H]1CCCN(S(=O)(=O)N2CCSCC2)C1 1506397798 HZGAAYCYLFNTIN-LLVKDONJSA-N 294.442 0.638 0 50 CCAA C[C@H](C(=O)NC(N)=O)N1CCO[C@@H](c2nccs2)C1 222209437 HSJDEQQLSHOHOC-HTQZYQBOSA-N 284.341 0.100 0 50 CCAA CNC(=O)C[C@H]1CN(C(=O)c2coc(Cl)c2)C[C@@H]1O 1857531355 MRLCADCQZAWSBB-CBAPKCEASA-N 286.715 0.502 0 50 CCAA CN1CCN(C(=O)c2ccc[nH]2)CC12CCOCC2 1857690856 OQPZNPNUZGTBMR-UHFFFAOYSA-N 263.341 0.952 0 50 CCAA CC[C@@H](C)N(CC(=O)O)C(=O)[C@H]1CCC(=O)NC1 123636541 GCPFDCODIUCNKI-BDAKNGLRSA-N 256.302 0.224 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCCn2cc(C)cn2)N(C)C1 330561994 SUVRBHVKTBILMG-RYUDHWBXSA-N 266.345 0.027 0 50 CCAA CCNS(=O)(=O)[C@@H]1CCN([C@H](C)c2nnc(C)o2)C1 245531771 HMCSALQZONSMPV-PSASIEDQSA-N 288.373 0.453 0 50 CCAA O=C(C1Cc2ccccc2C1)N1C[C@@H]2CNC[C@]2(CO)C1 1772712780 QETZAPAWFLRYLS-DOTOQJQBSA-N 286.375 0.442 0 50 CCAA COc1cccc([C@@H]2NS(=O)(=O)NC2=N)c1OC 5093812 OGKDMAKTYKHLET-QMMMGPOBSA-N 271.298 0.160 0 50 CCAA CC(C)(C)CN1C[C@H](NC(=O)c2csnn2)CC1=O 12707775 HNKCEORDNOWXAU-MRVPVSSYSA-N 282.369 0.915 0 50 CCAA CCS(=O)(=O)N(CC(N)=O)c1ccc2c(c1)OCO2 14397244 HEMBUNYHWBFTOP-UHFFFAOYSA-N 286.309 0.057 0 50 CCAA CN1CC(=O)N2CCN(Cc3ccccc3F)C[C@@H]2C1=O 14732093 SMGFTFBNDYJHTF-CYBMUJFWSA-N 291.326 0.311 0 50 CCAA C[C@@H](N)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 158105503 UPVKOGMJZDBYMG-HTQZYQBOSA-N 253.268 0.429 0 50 CCAA CCc1noc(C)c1C(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2 1875247414 LLVIWMIROLZVLX-ZJUUUORDSA-N 293.323 0.132 0 50 CCAA CN(C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)C1CCCC1 242047803 VQFNECXNFWMELW-VXGBXAGGSA-N 281.356 0.570 0 50 CCAA CN=c1[nH]c(C(=O)NC2(CO)CCSCC2)cs1 585121263 KLJBXHDELAYNGD-UHFFFAOYSA-N 287.410 0.595 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)Cc1ccc(Cl)cn1 852942444 JLUBLCBGXLHSDN-SNVBAGLBSA-N 284.699 0.590 0 50 CCAA CCc1cc(N2C[C@@H](CO)C[C@@H]2CO)nc(CC)n1 1875289388 NYFSZLIERNYCCG-CMPLNLGQSA-N 265.357 0.781 0 50 CCAA COC(=O)C[C@](C)(O)CNC(=O)CCc1cscn1 1875383089 GHTBFGOXASGHBU-LBPRGKRZSA-N 286.353 0.506 0 50 CCAA C[C@@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cnccn1 1775959683 OZHFSRDBESSAJB-LYIQGSDWSA-N 259.313 0.698 0 50 CCAA COc1ccc(CCN2C(=O)CNCC2=O)cc1OC 19946854 VLIVBBYGWZAGND-UHFFFAOYSA-N 278.308 0.205 0 50 CCAA biogenic CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCN(C(C)C)C1=O 158481831 ZXWCDKQOGPBJBW-HBNTYKKESA-N 255.362 0.485 0 50 CCAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)CN2CCCC2=O)C1 379219851 PMWNTFWDPFOURZ-IUCAKERBSA-N 293.289 0.489 0 50 CCAA Cc1nc([C@@H]2CCCN(CCS(C)(=O)=O)C2)n[nH]1 760961276 QUCUJZZVMCZRMH-SNVBAGLBSA-N 272.374 0.337 0 50 CCAA COc1ccc(CN2[C@H](CO)CCCS2(=O)=O)cc1 953119777 HXPQBZPHHCNCQM-LBPRGKRZSA-N 285.365 0.982 0 50 CCAA CCS(=O)(=O)n1nc(-c2ccc(OC)cc2)nc1N 350274 ZKLAMAHHMCVJPI-UHFFFAOYSA-N 282.325 0.734 0 50 CCAA COC(=O)/C=C(\C)NCCN/C(C)=C/C(=O)OC 4663770 KVIZCXFFRJWUPX-FIFLTTCUSA-N 256.302 0.319 0 50 CCAA COC[C@@H](C)NC(=O)c1ccccc1NS(C)(=O)=O 6703056 YAHKBUGZTJODMM-SECBINFHSA-N 286.353 0.823 0 50 CCAA O=C1COc2c(F)cc(N3C[C@H](C(=O)O)CC3=O)cc2N1 65396405 CHVPONDZZDFCPQ-ZCFIWIBFSA-N 294.238 0.594 0 50 CCAA COCn1ccnc1CN1CCC2(CC1)OCCC[C@@H]2O 219594872 IPZWOXPKQCTWKI-ZDUSSCGKSA-N 295.383 0.993 0 50 CCAA COC(=O)[C@@H]1CCc2nnc(Cc3ccccn3)n2C1 260394278 XJJDHFBUOQGSTL-SNVBAGLBSA-N 272.308 0.999 0 50 CCAA Cc1nc2nc(C)c3c(=O)n(-c4ccn[nH]4)ccc3n2n1 72437378 FWKPVTRFPHVYCK-UHFFFAOYSA-N 281.279 0.768 0 50 CCAA CCCc1cc(C(=O)NCCCn2cncn2)[nH]n1 42722296 PEMOETBFQUXYQY-UHFFFAOYSA-N 262.317 0.774 0 50 CCAA CC(C)N1C[C@@H](N2C(=O)N3CCC[C@@]3(C)C2=O)CC1=O 241383510 MVWHZYQXZOKLNK-HZMBPMFUSA-N 279.340 0.812 0 50 CCAA O=C(c1cn[nH]c1)N1CCC(CO)(CN2CCCC2)CC1 220179225 XAGNJYDBEPSEJA-UHFFFAOYSA-N 292.383 0.720 0 50 CCAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(CCn2cccn2)CC1 285411393 GSMJWFKTMBUYRX-UONOGXRCSA-N 292.383 0.486 0 50 CCAA Cc1cnc(CNC(=O)c2ccc(-n3cnnc3)nc2)cn1 97546633 NOOHITQQPFCIAT-UHFFFAOYSA-N 295.306 0.691 0 50 CCAA CCN1C[C@@H](NC(=O)c2ccc3c(=N)[nH]cnc3c2)CC1=O 615850908 ORZZGGZGDIOWAT-JTQLQIEISA-N 299.334 0.393 0 50 CCAA Cc1ccccc1[C@@H](C(=O)NCC(=O)O)N(C)C 95528496 FYXVGNROOVYBKP-LBPRGKRZSA-N 250.298 0.799 0 50 CCAA CCOC[C@@H](O)c1nc2c([nH]1)CC(C)(C)CNC2=O 95386078 JENMUKNECCTXFD-SECBINFHSA-N 267.329 0.792 0 50 CCAA COCc1nc(CN2CCN(C3CCCC3)C(=O)C2)no1 244608584 FFBGKCIOSYKGIK-UHFFFAOYSA-N 294.355 0.803 0 50 CCAA CC1(C)COC[C@@H]1NC(=O)N[C@@H]1CCN(C2CCC2)C1=O 624170209 NGDRODUORJUUAY-NEPJUHHUSA-N 295.383 0.864 0 50 CCAA c1cnc(N2CC[C@@H]3OCc4cnnn4[C@H]3C2)nc1 299755448 DDZXSICOMCZRQR-QWRGUYRKSA-N 258.285 0.418 0 50 CCAA O=C(C[C@H]1CCCOC1)NCCCN1CCC(O)CC1 828631170 WRGKSXCQLPVYNC-CYBMUJFWSA-N 284.400 0.766 0 50 CCAA CCN(C)S(=O)(=O)N(C)C[C@H]1CCN(CCOC)C1 824412365 IROIOVIZEVFBLR-GFCCVEGCSA-N 293.433 0.083 0 50 CCAA OC[C@@H]1CN(Cc2nc(C(F)(F)F)no2)C[C@H]1CO 828784818 MGDDQISVQHEFTN-BQBZGAKWSA-N 281.234 0.121 0 50 CCAA Cc1c(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)cnn1C 408496346 HNGANZPEAOAAFO-MXWKQRLJSA-N 297.380 0.970 0 50 CCAA C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(N)=O 166182362 XTVIQYHOLZIKDM-LZVWBXAGSA-N 267.325 0.735 0 50 CCAA CCOc1ccc(C(=O)N2CC(C(=O)NC)C2)cc1 186107478 PBTHHFNHCLEEQX-UHFFFAOYSA-N 262.309 0.903 0 50 CCAA Cc1cnccc1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 187446760 KLAWUVQQXBZLOK-GFCCVEGCSA-N 299.334 0.782 0 50 CCAA Cc1cc(C(=O)NCc2nn[nH]n2)nn1-c1ccccc1 599334575 QGAGCGATDXBZJO-UHFFFAOYSA-N 283.295 0.624 0 50 CCAA Cc1c[nH]nc1CN1CCC[C@](O)(CC(=O)N(C)C)C1 643753940 PZNKFKVUBMRLGT-AWEZNQCLSA-N 280.372 0.523 0 50 CCAA NC[C@H](NC(=O)[C@H]1COCCN1)c1ccc2ccccc2c1 192547577 RKPWXRCQRYFVNL-JKSUJKDBSA-N 299.374 0.944 0 50 CCAA CCCn1ncnc1CN1CCC[C@@](O)(c2cnn[nH]2)C1 583617940 LXOJOTWOIALSEA-ZDUSSCGKSA-N 291.359 0.290 0 50 CCAA C=C=CCNS(=O)(=O)c1cc(C(=O)NC)n(C)c1 583652135 ZGLZNRAMKSQWGF-UHFFFAOYSA-N 269.326 0.004 0 50 CCAA Cc1c[nH]nc1C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 585082362 JEZRMTDQXHBBRY-QMMMGPOBSA-N 271.342 0.414 0 50 CCAA CN(C)S(=O)(=O)c1cnn(Cc2ccns2)c1 585118950 JWRKJYFQKWBHAO-UHFFFAOYSA-N 272.355 0.638 0 50 CCAA CNC(=O)CNC(=O)C(F)(F)Cc1ccccc1 792836168 UAKVGDRVIJPBGA-UHFFFAOYSA-N 256.252 0.727 0 50 CCAA CCc1nnc(C(=O)N[C@H](CCO)C2CC2)s1 901093602 KGYVHADMCBJRHS-MRVPVSSYSA-N 255.343 0.991 0 50 CCAA CN(C)[C@@H](/C=C\c1ccccc1)CS(N)(=O)=O 1501070662 WJZRJFXLYOPLGY-LAUAKBEESA-N 254.355 0.919 0 50 CCAA O=C(O)c1nccnc1NCCN1CCC[C@H](CO)C1 1506426664 IVYUPUAKGLJMJF-JTQLQIEISA-N 280.328 0.291 0 50 CCAA CCCn1ccnc1CN(C)[C@H]1CCS(=O)(=O)C1 215500304 NWLKDNFFEKTAPY-NSHDSACASA-N 271.386 0.912 0 50 CCAA COc1ccnc(CNC(=O)c2c[nH]c(=O)cn2)c1 216326261 AUYRJLZLPGPWJF-UHFFFAOYSA-N 260.253 0.104 0 50 CCAA O=C1C[C@H](C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CN1 110360721 ZUQMCGPGSLXNGS-ONGXEEELSA-N 278.312 0.137 0 50 CCAA OCCOc1cccc(CN2CC[C@H](CO)[C@@H](O)C2)c1 1857724454 FEPBTRDDNXEDPU-HIFRSBDPSA-N 281.352 0.233 0 50 CCAA O=C(Cc1ccccc1)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704306636 WOOFKRPJEDJACM-GASCZTMLSA-N 289.287 0.617 0 50 CCAA Cc1cc(C)n(C2CN(C(=O)Cc3cc[nH]n3)C2)n1 673667978 CQWIJDQWQVMFJM-UHFFFAOYSA-N 259.313 0.849 0 50 CCAA CO[C@@H]1CCNC[C@@H]1NC(=O)c1cnn2cc(C)ccc12 1772705188 LLWAZVANQLYBOG-GXTWGEPZSA-N 288.351 0.749 0 50 CCAA O=S(=O)(c1ccc(Cl)s1)N1CCNCC1 36021351 RBKLPYOXLAWRCL-UHFFFAOYSA-N 266.775 0.995 0 50 CCAA in-vitro N=c1nc(O)cc(-c2ccc([C@H]3CNC(=O)C3)cc2)[nH]1 1875243769 WMDOJGREHTYFMK-SNVBAGLBSA-N 270.292 0.865 0 50 CCAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1nnnn1C 408044062 MKYMPOJQXFIZCV-GRYCIOLGSA-N 281.360 0.226 0 50 CCAA O=C(N[C@@H]1C[C@H](O)C12CCC2)c1nc[nH]c2nccc1-2 619071875 UHZBBDYYDGGXED-ZJUUUORDSA-N 272.308 0.943 0 50 CCAA Cc1c(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cnn1C 340343092 IZSLTFZOUBMDFX-NSHDSACASA-N 292.383 0.992 0 50 CCAA CC(=O)N1CCC(NC(=O)c2ccc(C(=O)O)nc2)CC1 262257792 FPSXWDVOIMREIF-UHFFFAOYSA-N 291.307 0.521 0 50 CCAA Cc1ncc(C(=O)NC[C@](C)(O)C(=O)O)c(C(C)C)n1 262430251 SJQAKYRGCNRJMJ-ZDUSSCGKSA-N 281.312 0.474 0 50 CCAA CCCn1nnnc1COC(=O)c1sc(=N)[nH]c1CC 1875253784 NMUPFJCTAQTCFC-UHFFFAOYSA-N 296.356 0.872 0 50 CCAA O=C1N[C@@H](C2CC2)C(=O)N[C@H]1COCc1ccccc1 1875290384 ZFCUWUZOBBXHOJ-STQMWFEESA-N 274.320 0.596 0 50 CCAA CO[C@@H](CC(C)C)C(=O)NS(=O)(=O)CCOC(C)C 1875266183 RHAMEHRXCWWKJH-NSHDSACASA-N 295.401 0.919 0 50 CCAA CC(C)c1noc(CN2CCN(Cc3cnn[nH]3)CC2)n1 1875312044 GRFAQTCXVPRIEY-UHFFFAOYSA-N 291.359 0.629 0 50 CCAA O=C(NCc1ccccc1C(=O)O)c1nc2ncccn2n1 1875333242 KDTIWJUIAOZSRA-UHFFFAOYSA-N 297.274 0.753 0 50 CCAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cn[nH]c1 1875402547 IXXCYRXFALIXNT-YUSALJHKSA-N 275.312 0.176 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cc[nH]c2)C1 886091374 XHNMBFXXVZZUPD-AWEZNQCLSA-N 265.357 0.820 0 50 CCAA C[C@@H]1CCCN(C(=O)C2CCN(C)CC2)[C@@H]1CN 156955755 LSNLAMFYNNCNIW-DGCLKSJQSA-N 253.390 0.914 0 50 CCAA COCCC(=O)Nc1cnn(C(C)(C)C(=O)O)c1 193007933 APFCMGRLWNCORJ-UHFFFAOYSA-N 255.274 0.678 0 50 CCAA O=C(NC[C@@]1(O)CCNC1)c1cccc(OC(F)F)c1 72165940 CKDLENLBVVBJNI-CYBMUJFWSA-N 286.278 0.742 0 50 CCAA Cn1nnnc1CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O 337282055 JPBFKPRQVZAFSO-IJLUTSLNSA-N 265.361 0.726 0 50 CCAA Cc1[nH]nc2c1CN(S(=O)(=O)N1CCCC1)CC2 670440698 SGNOJHHQLBATOD-UHFFFAOYSA-N 270.358 0.417 0 50 CCAA O=C(CC1CCC(C(=O)O)CC1)N[C@@H]1CC[C@H]1O 911772462 RFAIKPUPFXUHFC-JPPWEJMLSA-N 255.314 0.907 0 50 CCAA Cn1cc(C[C@@](C)(C(=O)O)n2ncc(C3CC3)n2)cn1 2325789530 WAXXBQGQRZRFPQ-ZDUSSCGKSA-N 275.312 0.932 0 50 CCAA C[C@H]1CC[C@@H](NC(=O)C(=O)C2CCCC2)C(=O)N1 2325811424 YINZIJWFJSHGRO-WCBMZHEXSA-N 252.314 0.529 0 50 CCAA CN(C)c1cnc(CNC(=O)c2coc(O)n2)cn1 2325876206 MZVBZZDZXGRDIJ-UHFFFAOYSA-N 263.257 0.166 0 50 CCAA CCOC(=O)N1C(=O)c2ccccc2S1(=O)=O 261966 QOEKNIMYWGWETQ-UHFFFAOYSA-N 255.251 0.988 0 50 CCAA CCN(CC)S(=O)(=O)c1cc(C(N)=O)ccc1OC 3415206 ODLNNXFBNYJWOW-UHFFFAOYSA-N 286.353 0.825 0 50 CCAA Cc1cc2c(cc1C)N[C@H](CC(=O)NC(N)=O)C(=O)N2 4030492 HBHPXIDZYDCXJJ-SNVBAGLBSA-N 276.296 0.621 0 50 CCAA O=C(NC[C@H]1CCNC1)[C@H]1CCCN1C(=O)C1CCCC1 342732630 KNPZVLXHRQYQAF-GXTWGEPZSA-N 293.411 0.893 0 50 CCAA COC(=O)CSCCNC(=O)[C@H]1CCCCC[C@H]1N 225437211 JJDAFLGYHMPRHW-WDEREUQCSA-N 288.413 0.916 0 50 CCAA Cc1cnn(CC(=O)N2CCN(CC(F)(F)F)CC2)c1 55096375 KLJJGQOIMUOLJG-UHFFFAOYSA-N 290.289 0.898 0 50 CCAA Cc1nn(Cc2n[nH]c(=O)n2[C@@H](C)C(=O)O)c(C)c1C 65490119 KZJCMDOQGDAFLZ-VIFPVBQESA-N 279.300 0.387 0 50 CCAA Cc1nc(N2C[C@H](C(N)=O)CC[C@H]2C)c2cnn(C)c2n1 249767415 PTWLCUDVLWEGTP-PSASIEDQSA-N 288.355 0.762 0 50 CCAA Cn1cc(N2CC[C@@H](NC(=O)c3ccncc3)C2=O)cn1 117697603 OAOLIBSVRGMVHI-GFCCVEGCSA-N 285.307 0.350 0 50 CCAA CCOC(=O)Cn1nnnc1NC(=O)NCc1ccoc1 23192099 DFSXYFAIASLQQW-UHFFFAOYSA-N 294.271 0.151 0 50 CCAA Cc1nc(NCCc2ncnn2C)cc(C2CC(O)C2)n1 219717099 BLSZNJHQDUZCBP-UHFFFAOYSA-N 288.355 0.806 0 50 CCAA O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1ccon1 121092372 OXAYFCPVMAQRFF-SNVBAGLBSA-N 286.291 0.714 0 50 CCAA Cc1cc(=NC(=O)CN2CC[S@](=O)CC2(C)C)[nH]o1 329922066 GCTXMUUIIKVWOK-IBGZPJMESA-N 285.369 0.186 0 50 CCAA CCOCCC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328620893 HJJBBLALVXHIIH-LLVKDONJSA-N 266.345 0.651 0 50 CCAA O=C(Nc1ccn([C@H]2CCNC2)n1)[C@H]1CSCCS1 328635116 UMIJYZDVABDXFB-VHSXEESVSA-N 298.437 1.205 0 50 CCAA CC[C@@H](NS(=O)(=O)N1CCC1)[C@@H](O)C(C)C 332029142 JHWUZKLUTRMFMB-ZJUUUORDSA-N 250.364 0.322 0 50 CCAA CCCn1cnc2c1c(=O)n(C[C@H](O)CC)c(=O)n2C 156586090 JLIOMWOCOVMYOT-SECBINFHSA-N 280.328 0.078 0 50 CCAA O=C(c1cccnc1O)N1CCC[C@@H]1Cn1cncn1 370994339 SZKFEOBNMQKCEQ-SNVBAGLBSA-N 273.296 0.684 0 50 CCAA C[C@H](CCC(=O)NCCc1noc(CO)n1)N1CCCC1 219949645 YMTROVQBACAXII-LLVKDONJSA-N 296.371 0.485 0 50 CCAA COc1ccc(F)cc1C(=O)NC[C@@H]1CN(C)CCO1 299427912 JYCVAGSJXHQTRI-LLVKDONJSA-N 282.315 0.895 0 50 CCAA O=C([C@H]1CCCCN1)N1CCC[C@H](Cn2cncn2)C1 237995707 RLFVGPJECIYLFE-QWHCGFSZSA-N 277.372 0.659 0 50 CCAA CC1(O)CC(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)C1 450197868 GRDLQOGZDDZWEH-LKSINWNRSA-N 278.356 0.678 0 50 CCAA CC(C)CN1C[C@@H]2CN(C(=O)NC3CC3)CCN2C1=O 336272343 CKODBVGIMRRFSC-LBPRGKRZSA-N 280.372 0.936 0 50 CCAA N[C@@H]1CCN(c2ncc(F)c(N3CCCC3)n2)C[C@H]1O 82146442 ZDYWZAWDTFYPDY-GHMZBOCLSA-N 281.335 0.114 0 50 CCAA C[C@@H]1CCO[C@H]1C(=O)NCCc1nnc(S)n1C 160179551 UQXSOZLMOYTDMF-VXNVDRBHSA-N 270.358 0.188 0 50 CCAA Cc1cnn([C@@H](C)C(=O)NCC2(N(C)C)CCOCC2)c1 426641576 RAUMGOHJRXTYNY-ZDUSSCGKSA-N 294.399 0.980 0 50 CCAA Cc1noc([C@H](C)NS(=O)(=O)N(C)C(C)C)n1 338905408 VOLNVRVIXAJLGP-ZETCQYMHSA-N 262.335 0.614 0 50 CCAA CC(C)c1cc(C(=O)N[C@@H]2CCCNC2=O)n(C)n1 91943077 VJKLGAGJBRIGJV-SECBINFHSA-N 264.329 0.552 0 50 CCAA CCOC(=O)[C@H]1[C@@H]2C(=O)N3CCCO[C@@H]3[C@@]23C=C[C@H]1O3 239038613 DNPZPPHKBCNQCS-DRDKAZGBSA-N 279.292 0.078 0 50 CCAA Cn1cc(S(=O)(=O)N2CCC[C@@H]2CN)nc1Cl 237801583 XHXQSBNWUIUBDK-SSDOTTSWSA-N 278.765 0.185 0 50 CCAA CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(C(C)C)C(=O)[C@H]13)O2 238997309 AEDVTSVCGQKNTJ-PUHVVEEASA-N 265.309 0.740 0 50 CCAA Cn1nccc1NC(=O)C[C@H]1CCCCNC1=O 334412084 NKNHNJFMBRMKGH-SECBINFHSA-N 250.302 0.665 0 50 CCAA COC(=O)NCC(=O)N1CC(Oc2ccccc2C)C1 91871290 CWTNJUAIIVWWGQ-UHFFFAOYSA-N 278.308 0.941 0 50 CCAA Cc1cc(C(=O)N2CC[C@@]3(O)CCNC[C@H]3C2)no1 91616844 IFONGBLKCVNQGR-GWCFXTLKSA-N 265.313 0.170 0 50 CCAA COc1cccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)c1 625592775 NZSRBVOOMHLBDI-RYUDHWBXSA-N 287.337 0.123 0 50 CCAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]1C[C@@H](O)CN1 299747646 DNYVRGGUJOVKDM-LPWJVIDDSA-N 270.373 0.421 0 50 CCAA COCCN1CC[C@@H](C(=O)NCC2(CO)CCCC2)C1 534589119 HQIVPNPRUCLCBW-CYBMUJFWSA-N 284.400 0.624 0 50 CCAA N[C@@H]1CCCN(C(=O)CCN2CCCCCC2=O)C1 534576179 GKOGBLSWUIFPFA-GFCCVEGCSA-N 267.373 0.729 0 50 CCAA CC(C)c1nc(CCNC(=O)CCCn2cnnn2)no1 299792724 GEZLWTIGZPQKST-UHFFFAOYSA-N 293.331 0.319 0 50 CCAA O=C(CCCN1CCCC1=O)NC[C@@H]1CCCOC1 828023214 STEBMEAMTJUIBT-LBPRGKRZSA-N 268.357 0.932 0 50 CCAA CCc1noc([C@H](C)NC(=O)CNC(=O)N(C)C)n1 823569315 FSTQQDSOUKUNMS-ZETCQYMHSA-N 269.305 0.080 0 50 CCAA COc1cccc2ncn(Cc3n[nH]c(C)n3)c(=O)c12 584891476 MSPNCMGVRBXJNZ-UHFFFAOYSA-N 271.280 0.880 0 50 CCAA CO[C@H]1CN(CCOCc2ccccc2)C[C@@H]1O 670449436 JHLGXNZZKMLYAN-KBPBESRZSA-N 251.326 0.895 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)N1CCc2nocc2C1 670443571 KMZYEHTZPCYGPV-VIFPVBQESA-N 261.285 0.487 0 50 CCAA C[C@H](CCn1cccn1)NCCc1noc(CO)n1 670459539 DNTRHUHPWPRNHE-SNVBAGLBSA-N 265.317 0.369 0 50 CCAA Cn1nncc1CN1CCOc2ccccc2[C@H]1C(=O)O 1551395977 FSUMUDNEGVFOCA-ZDUSSCGKSA-N 288.307 0.835 0 50 CCAA CC(=O)N[C@@H]1CCCC[C@@H]1n1cc(C(=O)O)nn1 1551460798 VHIPVSYBDXCFPL-SCZZXKLOSA-N 252.274 0.596 0 50 CCAA CCOC1(C(=O)N2CCS(=O)(=O)CC2)CCCC1 408070536 JCHOUKXWPAFALE-UHFFFAOYSA-N 275.370 0.593 0 50 CCAA CC(C)[C@](C)(O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 408299914 FIDWYDOEGGGBDC-ONGXEEELSA-N 263.359 0.039 0 50 CCAA Cc1o[nH]c(=N)c1S(=O)(=O)NC(=O)[C@@H](C)C1CCC1 408505508 XCXYMVPKVWZHJH-LURJTMIESA-N 287.341 0.637 0 50 CCAA COc1ccc(O)c(C(=O)N2CC[C@@](OC)(C(=O)O)C2)c1 630254066 LIDSJQPGDONQIC-AWEZNQCLSA-N 295.291 0.717 0 50 CCAA Cc1ccc(CN2CC[C@@](O)(Cn3ccnn3)C2)o1 671491557 ZVYXYCWCODOBOO-ZDUSSCGKSA-N 262.313 0.817 0 50 CCAA COC(=O)C1(CS(=O)(=O)N2CCCC2(C)C)COC1 583652129 ZDKDXTWELRRRHI-UHFFFAOYSA-N 291.369 0.380 0 50 CCAA O=C(NC[C@H]1CCn2ccnc2C1)[C@@H]1CCCOC1 583624005 XDKYATNWMYZIHE-NWDGAFQWSA-N 263.341 0.988 0 50 CCAA COC(=O)[C@H]1[C@@H](O)CCCN1Cc1c(C)noc1C 189543362 AEEXXMACJRUQQZ-NWDGAFQWSA-N 268.313 0.790 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1ncc(C)o1 643828181 VIWQXOGDAOMANY-ZDUSSCGKSA-N 267.329 0.710 0 50 CCAA Cc1cnc(C(=O)N2C[C@H](Cc3cnccn3)[C@@H](O)C2)cn1 1616071665 XRVJKONMHAIHKJ-FZMZJTMJSA-N 299.334 0.251 0 50 CCAA Nc1ncc(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)cn1 1529168825 MZRVCNLEFFCPBV-KGLIPLIRSA-N 285.351 0.489 0 50 CCAA CC(=O)NCCCCCCNC(=O)CCCCN 526059846 VPBFJCCWIHVMDW-UHFFFAOYSA-N 257.378 0.928 0 50 CCAA CCN1C[C@@H](NC(=O)c2cc3n(n2)CCC3)CC1=O 333583970 BDDVFUKHZJOZNW-VIFPVBQESA-N 262.313 0.180 0 50 CCAA CCCn1ncnc1CN1C[C@@H](OC)C[C@H]1COC 344357875 UXAWKRXOIJLSLK-RYUDHWBXSA-N 268.361 0.924 0 50 CCAA Cc1cc(C[C@@H]2CN(CCn3cnnc3C)C[C@H]2O)on1 1704300384 SPPIUAPIEMLVFK-TZMCWYRMSA-N 291.355 0.418 0 50 CCAA CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CNC(=O)C2)C1 119045716 ZRYIPEXYTGLSOY-IJLUTSLNSA-N 265.357 0.065 0 50 CCAA Cn1nc(C(=O)N2CC[C@@H]3NCCC[C@@H]3C2)nc1Cl 1857680288 GFAKGXFYXROIHV-BDAKNGLRSA-N 283.763 0.683 0 50 CCAA O=C(c1cnc(O)[nH]1)N1CCC[C@@]2(CCOC2)C1 1857685632 MYHKIOFPSJUXPB-GFCCVEGCSA-N 251.286 0.758 0 50 CCAA O=C1NCCC[C@]12CN(C1CCCC1)CC[C@H]2O 1857687480 SXIKKLXAKUCGCV-TZMCWYRMSA-N 252.358 0.892 0 50 CCAA COC(=O)c1ccc(NC(=O)CN2CCN(C)CC2)cc1 19811094 PUHWEJUGHAMOJS-UHFFFAOYSA-N 291.351 0.659 0 50 CCAA CN1CCN(C(=O)Cc2cccnc2)C[C@H]1c1ncc[nH]1 328618747 DZZQVMQJKRNLCM-ZDUSSCGKSA-N 285.351 0.863 0 50 CCAA CCN1CCN(C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)CC1 233490939 HCCOMQIAASWHSJ-ZDEQEGDKSA-N 278.352 0.673 0 50 CCAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CNC(=O)C1CC1 252505852 OADHVAUBGHXLSN-YRRQLQLVSA-N 294.351 0.217 0 50 CCAA Cc1cc(CN(C)C(=O)c2cccn(C)c2=O)no1 264103654 CJMCSXANYOMWTK-UHFFFAOYSA-N 261.281 0.954 0 50 CCAA C[C@H]1CN(c2nc(N)nc(Cl)c2N)CC[S@@](=O)C1 912090320 QJMWRDKTRSVTFJ-AHGSNSTDSA-N 289.792 0.499 0 50 CCAA Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)C2(F)CC2)n1 952887389 CBQIVJUARSFVMD-WDEREUQCSA-N 294.330 0.973 0 50 CCAA COCc1csc(CNC(=O)[C@H](N)c2cn(C)nn2)c1 1875304344 HYSRKHJUNIQIJL-LLVKDONJSA-N 295.368 0.339 0 50 CCAA CCc1nc(CN2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)n[nH]1 886071907 HLJRQTJNZHWAQU-GXSJLCMTSA-N 291.359 0.110 0 50 CCAA O=C(NCC[C@@H]1CCCCO1)C1=NO[C@]2(CCCNC2)C1 888096391 FNGCPPXQSBSHHF-SWLSCSKDSA-N 295.383 0.960 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1C[C@H](N)C2(CCC2)C1 1775962420 KDLSWSLWZSGSKL-JTQLQIEISA-N 284.385 0.230 0 50 CCAA CC(C)[C@]1(C(=O)O)C[C@@H]1C(=O)NC[C@H]1CCOC1 899799990 UZHNIZVJPSIJEJ-GIPNMCIBSA-N 255.314 0.886 0 50 CCAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1ccco1 263491816 PAUPCLVDDNVFSY-IWSPIJDZSA-N 271.294 0.906 0 50 CCAA O=C(O)CC[C@@H]1CCCCN1C(=O)CN1CCCC1=O 50921691 CPMBITVBZOHXRJ-NSHDSACASA-N 282.340 0.855 0 50 CCAA C[C@](O)(CN1CCC[C@@H](C(=O)NCCN)C1)C(F)(F)F 380765176 QKZXSLFKVHZXSP-KOLCDFICSA-N 297.321 0.087 0 50 CCAA O=C1CC[C@@H](CNC(=O)N=c2nc(C3CC3)[nH]s2)N1 2325757099 OQMPTVDBEHFFCP-ZETCQYMHSA-N 281.341 0.238 0 50 CCAA Cc1nnc(CN(C)c2ccc3ncnc(O)c3n2)n1C 2325790887 SLPMIQOZCSOZLK-UHFFFAOYSA-N 285.311 0.804 0 50 CCAA O=C(Nc1cnn2cccnc12)C(=O)N(C1CC1)C1CC1 2325817799 XOXKQFFLOALOLC-UHFFFAOYSA-N 285.307 0.821 0 50 CCAA O=C(O)C1=NN2C(O)=CC(c3ccccc3)=N[C@@H]2N1 4156836 SJRUWYSDTRIVSX-GFCCVEGCSA-N 258.237 0.476 0 50 CCAA CC(C)N1CCN(C(=O)CCn2cnnc2)CC1 65394199 JZPHYJXPQFBXBP-UHFFFAOYSA-N 251.334 0.221 0 50 CCAA CCNC(=N)NCCNC(=O)c1ccc(F)cc1 848995685 CGWSCNXZCDYVAY-UHFFFAOYSA-N 252.293 0.689 0 50 CCAA Cc1nc(CCN)cc(NCCCN2CCCC2=O)n1 67975729 GDGFNDMYCWEJHL-UHFFFAOYSA-N 277.372 0.711 0 50 CCAA O=C1CCCN1C[C@@H](O)CS(=O)(=O)c1ccccc1 74887 CDVZSIGBJJKZGA-LLVKDONJSA-N 283.349 0.444 0 50 CCAA COC(=O)N1CCCC[C@H]1C(=O)NCc1nnc(C)o1 219327559 BOEHJHGWJYZDOU-VIFPVBQESA-N 282.300 0.615 0 50 CCAA CO[C@@H]1[C@H]2CC[C@@H]1CN(Cc1c[nH]nc1C(=O)O)C2 216993829 AFHXYOPRTLAIAV-GDGBQDQQSA-N 265.313 0.965 0 50 CCAA O=C(c1cc[nH]c1C1CC1)N1CCO[C@@H](c2nn[nH]n2)C1 367354892 VJAOZZMNEYYUJB-SNVBAGLBSA-N 288.311 0.619 0 50 CCAA COC[C@H](O)CN1CCC[C@@H](CNC(=O)C(C)(C)C)C1 126827327 FXUKGARABJSQOX-QWHCGFSZSA-N 286.416 0.868 0 50 CCAA CC[C@@H](C)N(CC(=O)O)C(=O)[C@H]1CCNC(=O)C1 237049709 XJNKJLRPFRDEHN-BDAKNGLRSA-N 256.302 0.224 0 50 CCAA Cc1cc(CN2CCN(C(=O)[C@H]3CCC[C@H]3N)CC2)no1 237729256 CIHALRBHBGVISC-UONOGXRCSA-N 292.383 0.755 0 50 CCAA CO[C@@H](C)CS(=O)(=O)N1[C@H]2CCNC[C@H]1CC2 262350073 UIIQUPCTJYSUJE-HBNTYKKESA-N 262.375 0.177 0 50 CCAA NC(=O)NCC(=O)NCC[C@@H]1COc2ccccc2O1 215615552 LFOFPXDWLHIZJD-SECBINFHSA-N 279.296 0.001 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)CC2CCC(=O)CC2)CC1 336071946 UXOMDNRAUJTLSC-UHFFFAOYSA-N 295.383 0.962 0 50 CCAA COC[C@H](NC(=O)CCCn1cncn1)c1ccccn1 223052156 QFNQMGLZKBCJHT-ZDUSSCGKSA-N 289.339 0.957 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N[C@@H](CC(=O)O)CC(C)C 426486465 UADCDWHWNYGQTL-SECBINFHSA-N 283.328 0.972 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCCO[C@H](C)C2)cn1C 426739779 NYVBMQZDQFHMHW-LLVKDONJSA-N 264.325 0.945 0 50 CCAA O=C([C@H]1CCS(=O)(=O)C1)N1CCOc2ccccc2C1 426737310 APGCRXBDOSLXPS-LBPRGKRZSA-N 295.360 0.842 0 50 CCAA O=C(Cc1nc(O)n[nH]1)NCCCCN1CCCCCC1 426545207 ZWDITGZRTIMMRD-UHFFFAOYSA-N 295.387 0.825 0 50 CCAA O=C(Cc1cccnc1)N1CCC[C@H]1Cn1ccnn1 299745035 QVRUTOSYFOATDG-ZDUSSCGKSA-N 271.324 0.907 0 50 CCAA CC[C@H](C)[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)O 299743670 ONDKJWZLGSXLCY-HGNGGELXSA-N 288.369 0.523 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CCC[C@@H](N)C1 534582616 SAGREDDQRZXHBJ-SNVBAGLBSA-N 272.374 0.323 0 50 CCAA CC(=O)N[C@@H](C)CC(=O)NCc1cccc(CO)c1 534656843 HBRPYMXLZJQFMT-JTQLQIEISA-N 264.325 0.710 0 50 CCAA COCCn1cnnc1CNC(=O)[C@@]1(C)CCCCO1 299792862 HEDZEUGLVZEVEL-CYBMUJFWSA-N 282.344 0.500 0 50 CCAA C[C@@H](NC(=O)c1nccn1C)c1nnc(N)s1 584894551 ZVBZUBMOKLKMRQ-RXMQYKEDSA-N 252.303 0.345 0 50 CCAA CC(C)c1nnc(CN2CCO[C@H](C(=O)N(C)C)C2)o1 670434963 SOJRDVSTABBLSF-JTQLQIEISA-N 282.344 0.482 0 50 CCAA COC(=O)CN1C[C@@]23CCCC[C@@]2(CN(C)C3)C1 1336888107 BRPKLPCMXJSWNS-OKILXGFUSA-N 252.358 0.967 0 50 CCAA COC(C)(C)CNC(=O)N1C[C@@H](N)C2(CCC2)C1 1553457682 RWMGZYUCUWLEFA-SNVBAGLBSA-N 255.362 0.934 0 50 CCAA C[C@@H]1[C@@H](C(=O)NCC2(C(N)=O)CCOCC2)C1(F)F 408230857 JIVALIBDUPRECQ-SFYZADRCSA-N 276.283 0.286 0 50 CCAA O=C(N[C@H]1CCCS(=O)(=O)C1)c1ncc(F)cc1F 408383830 IFMHEDHQDYDHGW-QMMMGPOBSA-N 290.291 0.667 0 50 CCAA CNS(=O)(=O)c1cccc(CNc2cnccn2)c1 301102975 UNXJFVCMKGKVFA-UHFFFAOYSA-N 278.337 0.997 0 50 CCAA CC(C)CO[C@H]1CCN(c2ccc3nnnn3n2)C1 301665304 ZRUPCXWLJXTQAZ-JTQLQIEISA-N 262.317 0.771 0 50 CCAA COc1ncc(C)cc1NC(=O)N[C@@]1(CO)CCOC1 273494882 OZQNKGDFDJVIRW-CYBMUJFWSA-N 281.312 0.672 0 50 CCAA C[C@@]12CN(C(=O)Cn3cnnn3)C[C@@H]1[C@@H]1C=C[C@H]2C1 575095400 GQUCIMOGRMRJEZ-XZUYRWCXSA-N 259.313 0.344 0 50 CCAA CN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2CO)c1 170606620 KSIWGRCZLCGKQE-ZYHUDNBSSA-N 298.364 0.048 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)Cc2ccco2)C1 644003505 KWKKLVPNECAJJB-CYBMUJFWSA-N 266.297 0.051 0 50 CCAA Cn1nccc1[C@@H](NC(=O)[C@@H](O)C1CCCCC1)C(=O)O 647769994 SSIYXACXJPLEEG-NEPJUHHUSA-N 295.339 0.603 0 50 CCAA CN1C(=O)CS/C1=C\C(=O)NCCc1ccccn1 585121395 OEGRIQACHTVRAS-JYRVWZFOSA-N 277.349 0.787 0 50 CCAA COC(=O)CCNC(=O)C[C@@H](O)COCc1ccccc1 585129501 LUVOAQKNWCMAKX-CYBMUJFWSA-N 295.335 0.634 0 50 CCAA O=C(NCc1cscn1)N[C@H]1C[C@@H](C(=O)O)C1 693411760 WKJVVNKPWWVDPM-KNVOCYPGSA-N 255.299 0.806 0 50 CCAA O=C(NCCCc1nc(O)n[nH]1)C1SCCS1 764467143 SBJOUQBHECDJCY-UHFFFAOYSA-N 274.371 0.365 0 50 CCAA Cn1ncc(C(=O)NCC2(C(=O)O)CC2)c1C(F)F 621572214 CRKBFGPHVWIHTD-UHFFFAOYSA-N 273.239 0.952 0 50 CCAA C[C@H](O)CN1CCN(C[C@H]2CCCCO2)C[C@@H]1C 247386829 WQPRGTKYPMNWOW-MELADBBJSA-N 256.390 0.942 0 50 CCAA CC(=O)CCCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O 12364096 MQGNNJQTNFHNHK-GHMZBOCLSA-N 280.328 0.308 0 50 CCAA CCOCCCNS(=O)(=O)c1ccc(N)cc1 13944173 VJVOBKOTTWEKQN-UHFFFAOYSA-N 258.343 0.974 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F 16625777 PRLRBOTUSOQNQA-UHFFFAOYSA-N 260.290 0.436 0 50 CCAA Nc1c(O)nc(O)nc1C(=O)N1C[C@@H]2CCCC[C@H]2C1 408369810 CBADLJOWOWNMIJ-YUMQZZPRSA-N 278.312 0.732 0 50 CCAA Cn1cc(N2CCC[C@H](NCCn3cccn3)C2=O)cn1 119320282 SCHQRFYMTHFMPQ-ZDUSSCGKSA-N 288.355 0.402 0 50 CCAA O=C(NC[C@H]1CCCO1)c1cc(N2CCOCC2)ncn1 240658883 AHORZQHSBLWCTR-LLVKDONJSA-N 292.339 0.222 0 50 CCAA Cc1cc(C)nc(-n2[nH]c(C(=O)N3C[C@H]4C[C@@H]4C3)cc2=O)n1 912983475 BEPWVHQJDIZKBY-GHMZBOCLSA-N 299.334 0.664 0 50 CCAA C[C@H](NCCN1CCCOCC1)c1cnnn1C 903228450 QWHLIWLNKQNLFU-NSHDSACASA-N 253.350 0.188 0 50 CCAA Cc1cc(O)c(COC(=O)[C@H]2CC=CCO2)nn1 1875277923 OAKNVCJSBMMWKQ-LLVKDONJSA-N 250.254 0.879 0 50 CCAA COC(=O)/C=C/CNC(=O)COCc1nnc(C)s1 1875273302 NKAIRPYYQGFIST-ONEGZZNKSA-N 285.325 0.209 0 50 CCAA NS(=O)(=O)CCn1cc(-c2ccc(Cl)s2)nn1 1875282214 RMVPPUODPATADW-UHFFFAOYSA-N 292.773 0.949 0 50 CCAA CC[C@H](C[C@@H](C)O)NC(=O)c1ncn(-c2ncccn2)n1 1875344600 MRYZNGDLYZNDEM-NXEZZACHSA-N 290.327 0.337 0 50 CCAA CO[C@@H]1CN(c2nc(C)cnc2C)C[C@H]1c1cn(C)nn1 886080572 ZUBJYZCUYHEIJP-WCQYABFASA-N 288.355 0.841 0 50 CCAA CCc1cc(N2CCN(CC(F)(F)CO)CC2)ncn1 895095085 HIUCIAJFYZILSY-UHFFFAOYSA-N 286.326 0.789 0 50 CCAA OC[C@@H]1COCCN1Cc1ccnn1C1CCC1 896071062 CREJJYODHGZEEY-CYBMUJFWSA-N 251.330 0.801 0 50 CCAA Cc1nccn1-c1ccnc(C(=O)NCCC(=O)O)c1 1775996461 YKFPKPWLDFNKKP-UHFFFAOYSA-N 274.280 0.780 0 50 CCAA CN1C[C@H](C(=O)O)N(C(=O)CCc2ccccc2)CC1=O 1775994678 WTFQHNHHRLXVSF-GFCCVEGCSA-N 290.319 0.373 0 50 CCAA O=S(=O)(NCC1(O)CCC1)c1ccc2c(c1)OCCO2 158620218 UTYHVGAJBVGMQV-UHFFFAOYSA-N 299.348 0.651 0 50 CCAA COCc1nc(C(=O)N2CCOC[C@@H]2C(=O)O)cs1 262544109 SEQONIDAIDBPHE-MRVPVSSYSA-N 286.309 0.215 0 50 CCAA NS(=O)(=O)[C@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1 408007899 LUITXONPFPMMHR-VIFPVBQESA-N 296.339 0.701 0 50 CCAA O=S(=O)(C1CC1)N1CCC(NCc2cc[nH]n2)CC1 674710850 LHFQMWARJFUZKT-UHFFFAOYSA-N 284.385 0.456 0 50 CCAA C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccccc1 685939530 ZFXDABMAYFZMKJ-ZYHUDNBSSA-N 254.355 0.915 0 50 CCAA O=S1(=O)CC[C@@H](CCN2C[C@H]3C[C@H](O)C[C@H]3C2)C1 1775982304 JHYUPTDEBBALNZ-NDBYEHHHSA-N 273.398 0.514 0 50 CCAA COC(=O)c1ncn(C[C@@H](O)c2nccs2)c1CO 643919634 UFCVMBFFEMQITC-MRVPVSSYSA-N 283.309 0.352 0 50 CCAA CN1C(=O)CC[C@@H]1CNC(=O)c1n[nH]cc1-c1ccncc1 2325798131 PLEWFQUJVYKSJO-LLVKDONJSA-N 299.334 0.822 0 50 CCAA CC(=O)N1CC(C(=O)N2CC[C@@H](Cc3ccnn3C)C2)C1 2325810686 XTXSHJCGROVYNX-LBPRGKRZSA-N 290.367 0.289 0 50 CCAA CC[C@@H](C)n1c(OC)nc2c1c(=O)n(C)c(=O)n2C 349962 SSLYNUMMTSOBAM-SSDOTTSWSA-N 266.301 0.413 0 50 CCAA CN1C(=O)C(Br)=C(Br)C1=O 1709915 CKITYUQKOJMMOI-UHFFFAOYSA-N 268.892 0.986 0 50 CCAA OC[C@H]1[C@@H]2CC[C@@]3(CN(c4nnc5ccccn45)C[C@@H]13)O2 2356142703 DJIOTCWRQCAUGS-YXMPFFBPSA-N 286.335 0.705 0 50 CCAA NC(=O)CSc1nnnn1-c1ccccc1Cl 2870491 LVOHXFZWVBCJIU-UHFFFAOYSA-N 269.717 0.893 0 50 CCAA CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O)O1 4262105 KEJGAYKWRDILTF-VVULQXIFSA-N 260.286 0.375 0 50 CCAA in-vitro CCCCNC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 4844681 ZGGWKZMGOJIAEK-LLVKDONJSA-N 292.335 0.859 0 50 CCAA CCCCNC(=O)C1CCN(S(C)(=O)=O)CC1 4954712 QKRVHJLKKZBJRW-UHFFFAOYSA-N 262.375 0.574 0 50 CCAA CCCOCC(=O)N1CCSC[C@@H]1C(=O)OCC 222224967 AXQOHIBRAAVYHU-SNVBAGLBSA-N 275.370 0.920 0 50 CCAA CN1CCO[C@H](CCNC(=O)Cc2cccnc2)C1 67965752 SZFQZTYBUBZGIZ-CYBMUJFWSA-N 263.341 0.461 0 50 CCAA CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 20460634 QBXDATZYOPTKLL-GHMZBOCLSA-N 291.417 0.420 0 50 CCAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)Cc1ccon1 346521654 FLWZDSAEPJXLRI-GHMZBOCLSA-N 286.353 0.689 0 50 CCAA CCCc1nc(CN(CC)C(=O)c2c[nH]c(=O)cn2)no1 65397475 UNLZIRBABTZTDK-UHFFFAOYSA-N 291.311 0.768 0 50 CCAA CCn1nncc1C(=O)NC[C@H]1CCc2nccn2C1 347837967 CZUUUCLIHYXFMZ-SNVBAGLBSA-N 274.328 0.487 0 50 CCAA N[C@H](C(=O)Nc1ccn([C@H]2CCNC2)n1)c1ccccc1 328626373 LQKZVEPVFIKEHQ-JSGCOSHPSA-N 285.351 1.056 0 50 CCAA C[C@]1(C(=O)NS(=O)(=O)Cc2ccon2)CCCO1 121840355 UTGKYEIEBHIXJB-SNVBAGLBSA-N 274.298 0.190 0 50 CCAA Cc1cc(=O)c(CO)nn1C[C@@H]1CCO[C@H](C)C1 330063328 QAAVKIVLRJWDHD-GHMZBOCLSA-N 252.314 0.859 0 50 CCAA Cc1cccc(N2CCO[C@H](CN(C)CC(N)=O)C2)n1 282178059 FUHYJPOEBRMWKG-GFCCVEGCSA-N 278.356 0.012 0 50 CCAA C[C@H](O)C[C@@H]1COCCN1C(=O)[C@@H](O)Cc1ccccc1 331059393 MMSDKBDBEMJKED-CFVMTHIKSA-N 293.363 0.588 0 50 CCAA COC[C@@]1(C(=O)O)CCCN(C(=O)[C@H](C)n2cccn2)C1 262806919 DBEHQYKYUCWOGC-SMDDNHRTSA-N 295.339 0.784 0 50 CCAA CC(C)(C)c1cc(C(=O)NC[C@@](C)(O)C(=O)O)no1 262446345 VJUAGDWEFZVDAJ-GFCCVEGCSA-N 270.285 0.538 0 50 CCAA CN(Cc1ccccc1)S(=O)(=O)N[C@H]1CC[C@H]1N 72165930 JNVWHTAAOGEKPL-NEPJUHHUSA-N 269.370 0.443 0 50 CCAA C[C@H](O)CNc1ccnc(C(=O)NCCc2c[nH]cn2)c1 72169744 XLDHIIYFQIKRBL-JTQLQIEISA-N 289.339 0.570 0 50 CCAA O=C(CCCc1cn[nH]c1)N[C@@H]1CCOC[C@H]1OCCO 223457347 UKPCCPJKIWFJFI-CHWSQXEVSA-N 297.355 0.015 0 50 CCAA CS(=O)(=O)CCNC(=O)c1cnc2ccccc2n1 42093454 GRTZOXKEMRCNNM-UHFFFAOYSA-N 279.321 0.404 0 50 CCAA O=C(CCn1cncn1)N[C@@H]1COc2ccccc21 195012922 WAAMZLQOHLLLDT-LLVKDONJSA-N 258.281 0.918 0 50 CCAA CSCCC(=O)N[C@@H]1COCC[C@@H]1OCCN(C)C 223213013 LZVYPQZXRMBNAP-NEPJUHHUSA-N 290.429 0.591 0 50 CCAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4ccc(C(N)=O)o4)[C@H]1[C@H]3C2 288383537 KKAJABQLDRWGIP-IXZNIHDNSA-N 290.319 0.874 0 50 CCAA C[C@@H]1CCCN1C(=O)CN1CCN(C2CC2)C1=O 611651817 VLVGHFSEUCUZSG-SNVBAGLBSA-N 251.330 0.897 0 50 CCAA O=C(CCn1ccnn1)N1CC[C@@]2(CCOC2)C1 177031874 ZIGRTTHPJSBCMV-GFCCVEGCSA-N 250.302 0.307 0 50 CCAA COCCc1nc(CNC(=O)[C@@H](C)n2ccnc2C)no1 426401596 BNSCKMJZPUROSV-SECBINFHSA-N 293.327 0.641 0 50 CCAA Cc1cc(C)n2nc(CC(=O)NCCn3cccn3)nc2n1 338167832 CARUZSBNPPOYFA-UHFFFAOYSA-N 299.338 0.297 0 50 CCAA CN1CCCN(CC(=O)NCC[C@H]2CCCOC2)CC1 534574419 FJPIBNWYYWDLBH-CQSZACIVSA-N 283.416 0.557 0 50 CCAA C[C@H](CCNC(=O)C1(C)COC1)N1CCN(C)CC1 534658953 PFEGQQKMONVKSF-GFCCVEGCSA-N 269.389 0.165 0 50 CCAA Cn1cc(S(=O)(=O)NCc2noc(C3CC3)n2)cn1 534672308 DHDCBCDXPODYKA-UHFFFAOYSA-N 283.313 0.159 0 50 CCAA CCCc1ncncc1C(=O)N1CCO[C@H](C(=O)O)C1 534584958 HVWKWGQUIPBMOZ-NSHDSACASA-N 279.296 0.355 0 50 CCAA CC(C)NC(=O)CN1C(=O)[C@]2(CCNC2)c2ccccc21 1940195029 JICUHUGNFVJYPH-INIZCTEOSA-N 287.363 0.789 0 50 CCAA CN(CCCN1CCOCC1)C(=O)C[C@@H]1CCOC1 584884996 ZTBSSTQAYCQEJM-ZDUSSCGKSA-N 270.373 0.594 0 50 CCAA O=C(NCc1nncn1C1CCCCC1)[C@@H]1C=CCN1 827690917 CXQGARRVEJGXCI-LBPRGKRZSA-N 275.356 0.928 0 50 CCAA CSCCC(=O)N1CCO[C@H](C(=O)N(C)C)C1 670456426 ARVKFNSCPKLYRP-VIFPVBQESA-N 260.359 0.055 0 50 CCAA Cn1cc(Cl)c(C(=O)N2C[C@H]3COC(=O)[C@H]3C2)n1 1534659950 UVSGCLNGRRDPPI-BQBZGAKWSA-N 269.688 0.319 0 50 CCAA CC[C@H](CNC(=O)c1nccn1C)N1CCN(C)CC1 952970646 WEOADSIRFKHTST-GFCCVEGCSA-N 279.388 0.176 0 50 CCAA O=c1c(CN2C[C@H](CO)[C@@H](CO)C2)coc2ccccc12 1565506902 HPDRHOVOPUMJLN-VXGBXAGGSA-N 289.331 0.826 0 50 CCAA Cc1noc(C)c1CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N(C)C 1565507838 AMQQHNVICFWXEW-PUPMMZHASA-N 293.367 0.668 0 50 CCAA Cc1ccc(CNC(=O)N[C@H]2CNC[C@@H]2O)cc1C 1565509186 OBOVSZDUSHKNJT-STQMWFEESA-N 263.341 0.435 0 50 CCAA CC(=O)NCCC(=O)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565515145 LWDMSAOGXBSCCE-KBPBESRZSA-N 298.383 0.603 0 50 CCAA Cn1cncc1CCC(=O)N1CCC[C@](C)(O)C1 407997724 NYVOIBOOUNUSMP-ZDUSSCGKSA-N 251.330 0.726 0 50 CCAA C[C@H]1CN(CC(C)(C)O)CCN1Cc1cnns1 408457983 RLZXVLRXWFLYGM-JTQLQIEISA-N 270.402 0.815 0 50 CCAA NC(=O)[C@]1(O)CCN(c2ncnc3c2oc2ccccc23)C1 276463664 NIBDPDXIWUSDRY-HNNXBMFYSA-N 298.302 0.803 0 50 CCAA CN(C)CCCSc1nnc(N2CCOCC2)n1C 170591248 JTKDZCKMIIZEEF-UHFFFAOYSA-N 285.417 0.696 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1nc(C(C)C)n[nH]1 643823089 JOBRGGWJFZCINV-CYBMUJFWSA-N 281.360 0.394 0 50 CCAA CC[C@@]1(O)CCCN(C(=O)CN2CCCC2=O)C1 584890825 DXEFOZLIJVCQKU-CYBMUJFWSA-N 254.330 0.372 0 50 CCAA N=c1ncn(CC(=O)N[C@@H]2CCCOc3ccccc32)[nH]1 585089437 MZWKLOMYWGHZAM-LLVKDONJSA-N 287.323 0.721 0 50 CCAA Cc1nnc(CNC(=O)[C@@H](C(=O)O)C2CCCC2)n1C 663111570 WULPPCMGVPMEBC-NSHDSACASA-N 280.328 0.631 0 50 CCAA CN(C)c1ccc(C(=O)N2CC[C@](C)(C(=O)O)C2)nn1 1615045874 JGUUPWYKYWOTEB-ZDUSSCGKSA-N 278.312 0.479 0 50 CCAA CN(C)c1ccnc(CNC(=O)[C@]23CC[C@H]2CNC3)c1 1615550418 XRBSBCCQQKCJEF-NHYWBVRUSA-N 274.368 0.763 0 50 CCAA O=S(=O)(N[C@@H]1c2ccccc2OC[C@@H]1CO)C1CC1 1615606305 YMEQVTKIHKLDQM-ZANVPECISA-N 283.349 0.810 0 50 CCAA COCCCCN(C)C(=O)[C@H](O)[C@H]1COC(C)(C)O1 1615604587 AJYNXJQKPHIAAZ-GHMZBOCLSA-N 275.345 0.384 0 50 CCAA Cc1cc(C[C@H]2CN(C(=O)c3ccnn3C)C[C@@H]2O)on1 1615740330 VNPJNBNYHLFDRW-GWCFXTLKSA-N 290.323 0.392 0 50 CCAA Cc1cc(=O)n(CCN(C)Cc2cccnc2)c(O)n1 1506403345 TWSKOYDIPJTACW-UHFFFAOYSA-N 274.324 0.784 0 50 CCAA O=C(NCC1CCOCC1)c1ccn2ncnc2c1 1857672153 NFKGASWLHJFXAU-UHFFFAOYSA-N 260.297 0.886 0 50 CCAA COC1CCC(N(C)S(=O)(=O)N2CCOCC2)CC1 408173798 DBHGOFGNCZJQQX-UHFFFAOYSA-N 292.401 0.453 0 50 CCAA CCN1CN(C(=O)NCCc2ncc(C)s2)CC1=O 252492210 MFNFPPDJFLPHAE-UHFFFAOYSA-N 282.369 0.825 0 50 CCAA O=C(NCCCn1ccnc1)N1CCC[C@H]1CO 118562789 CHDFJUXANBGBPA-NSHDSACASA-N 252.318 0.440 0 50 CCAA O=C(c1cccc(-n2cnnc2)n1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775978706 BSDMXGOYBNBQGB-ZSBIGDGJSA-N 299.334 0.505 0 50 CCAA CN1CC[C@@H]2CN(C(=O)c3nc(Cl)n(C)n3)C[C@@H]2C1=O 1857691021 SGYVVXVSTAPFPI-SFYZADRCSA-N 297.746 0.019 0 50 CCAA COc1cnc(C(=O)N2CCC[C@@](O)(C3CC3)C2)nc1 618299056 QTVLYOZYFJSOQN-AWEZNQCLSA-N 277.324 0.862 0 50 CCAA CC[C@@H](C(=O)OC)C(=O)N1CC[C@H](N2CCCC2)C1 225629461 QLIRGVSTPPGATN-NWDGAFQWSA-N 268.357 0.882 0 50 CCAA COC[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)CCO1 646864938 ZIMAEGBJEXOISJ-UWVGGRQHSA-N 280.328 0.098 0 50 CCAA CN1CCN(c2nc(O)c3cnn(C)c3n2)CC1(C)C 585092008 AKQMAQIPUNVOJH-UHFFFAOYSA-N 276.344 0.599 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1ccc2cccnc2n1 901573179 OMBDURLEFFQCAN-LLVKDONJSA-N 287.275 0.555 0 50 CCAA CN(Cc1cc(C(F)(F)F)nn1C)[C@@H]1COC[C@H]1O 931746427 ILPOHGARGBAHHW-RKDXNWHRSA-N 279.262 0.630 0 50 CCAA Cc1nonc1CC(=O)N[C@@H]1COc2ccccc2C1=O 845890674 JUEDAFVLNRFAQX-LLVKDONJSA-N 287.275 0.681 0 50 CCAA Cn1ncc2c1CCCN(C(=O)[C@H]1C[C@@]13CCNC3)C2 952895383 UHUVBDXWVHUVPA-IUODEOHRSA-N 274.368 0.695 0 50 CCAA CC[C@@H](NC(=O)c1cc(C)oc1C)[C@H](O)C(=O)O 1875291952 RBTLOFBGPQRGHC-ZJUUUORDSA-N 255.270 0.850 0 50 CCAA CCS(=O)(=O)NC(=O)C1=C(C)OCCS1 1875316704 BSUSMINGZAUSPO-UHFFFAOYSA-N 251.329 0.447 0 50 CCAA CS(=O)(=O)/C=C/CNC(=O)[C@@H]1CCCc2nc[nH]c21 1776006573 WQXMFJPZGCROIT-XKEGTWDPSA-N 283.353 0.504 0 50 CCAA CNC(=O)NCc1cn(CC2CC(F)(F)C2)nn1 899732386 FJIVIRPBXGAKLR-UHFFFAOYSA-N 259.260 0.752 0 50 CCAA O=C(N[C@@H](CCO)C1CCCCC1)c1c[nH]nn1 130148281 GGSBTAULIDKWLZ-JTQLQIEISA-N 252.318 0.866 0 50 CCAA CN(Cc1nccc(N)n1)C[C@@H]1CCc2nccn2C1 328644067 RPQXHFZBJPPBRC-NSHDSACASA-N 272.356 0.950 0 50 CCAA Cc1ncnc(C)c1C(=O)NCC1(CO)CCOCC1 534668571 GKSJYPOVOHEOQP-UHFFFAOYSA-N 279.340 0.612 0 50 CCAA COCc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2)cc1 361969215 WTXGVMGOXKNGIV-OLZOCXBDSA-N 264.325 0.172 0 50 CCAA C[C@]1(CO)C[C@@H](O)CN1C(=O)c1ncoc1C1CC1 888092024 SASRWSDBJRLYHC-NOZJJQNGSA-N 266.297 0.510 0 50 CCAA CNC(=O)c1cc(N2CC[C@](F)(CO)C2)ccn1 893728327 QNSORNOHCYEXNS-GFCCVEGCSA-N 253.277 0.352 0 50 CCAA O=C(O)[C@@H](O)[C@H](O)C(=O)Nc1ccc(Cl)cc1 164346 JLBJYGCSAOHRPK-YUMQZZPRSA-N 259.645 0.085 0 50 CCAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1C[C@H](O)C[C@@H](O)C1 2356143324 CQNLLNSBFVAZCY-CHWSQXEVSA-N 287.319 0.644 0 50 CCAA CCn1ncc(C(=O)NC)c1NC(=O)c1cncn1C 2356149897 YCNOFNQCUGWAIR-UHFFFAOYSA-N 276.300 0.248 0 50 CCAA COc1ccc(Cc2nnc(SCC(N)=O)n2C)cc1 2524137 YDFCPIAIZRKTME-UHFFFAOYSA-N 292.364 0.992 0 50 CCAA CCCN1CCCn2c1nc1c2c(=O)[nH]c(=O)n1C 4314861 ATYAXSRZIJKFEF-UHFFFAOYSA-N 263.301 0.043 0 50 CCAA Cn1nnnc1SCC(=O)c1ccc2c(c1)OCCO2 4560333 YNFNULNECCJTJW-UHFFFAOYSA-N 292.320 0.956 0 50 CCAA COc1cccc(NC(=O)CN2CCC(C(N)=O)CC2)c1 7435630 SGQGZDRZAJRMIL-UHFFFAOYSA-N 291.351 0.831 0 50 CCAA COc1ccc(F)cc1[C@@H](C(=O)O)N1CCN(C)C(=O)C1 55281732 ZXFSCMPGSZYQJG-ZDUSSCGKSA-N 296.298 0.734 0 50 CCAA COCCNC(=O)NCc1ccc2c(c1)OCO2 9875708 XUITVXVURVGIMR-UHFFFAOYSA-N 252.270 0.861 0 50 CCAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1ccc(=O)n(C)n1 20997855 AVKZIMUWXQWJBT-GFCCVEGCSA-N 299.330 0.856 0 50 CCAA NC(=O)[C@H](NC(=O)c1csc(O)n1)c1ccccc1 471651054 ZLQVHXISSCCEHP-SECBINFHSA-N 277.305 0.805 0 50 CCAA O=C1CCCN1CCC1CCN(C[C@@H](O)CO)CC1 65409945 ATNNQYZNHZSMGA-CYBMUJFWSA-N 270.373 0.064 0 50 CCAA CC(C)Oc1ncccc1C(=O)NCc1nnn(C)n1 252496434 PICGJRIRKZKDCD-UHFFFAOYSA-N 276.300 0.322 0 50 CCAA CC[C@@H]1CN(C(=O)COC(C)C)CCN1C[C@@H](C)O 330691372 QVXAJGSKXRWXCO-CHWSQXEVSA-N 272.389 0.715 0 50 CCAA CN(Cc1ccn[nH]1)C(=O)CSc1nncn1C 215149323 CTWSBAXNPYBTLG-UHFFFAOYSA-N 266.330 0.289 0 50 CCAA COC[C@]1(C)CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C1 332737228 WVWAPORPDCTWEM-QJPTWQEYSA-N 277.386 0.852 0 50 CCAA O=S(=O)(CC1CCOCC1)N1CCC[C@@H]1CO 173191539 WLSXCPSKINXXDY-LLVKDONJSA-N 263.359 0.200 0 50 CCAA Cc1oncc1C(=O)NCC1(N(C)C)CCOCC1 223145567 PKFCOIUBLDRYLH-UHFFFAOYSA-N 267.329 0.824 0 50 CCAA CNC(=O)[C@@H]1CCCC[C@@H]1NC[C@H](O)C(F)(F)F 132161427 JPJXXHPIWOTLFD-VGMNWLOBSA-N 268.279 0.804 0 50 CCAA Cc1cccc([C@H](NC(=O)CNC(=O)N(C)C)C(=O)O)c1 221269296 RLSARTBAPMALJB-LBPRGKRZSA-N 293.323 0.508 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)C(C)(C)NC(C)=O 426371036 NFRQHIVVOUUXJX-SECBINFHSA-N 297.359 0.016 0 50 CCAA CCN1C(=O)[C@H]2[C@@H]3[C@H]4C[C@H]2[C@H](O)[C@H]4O[C@]31C(C)C 238900856 KLDJVKPOYBMPEF-FKZDXERVSA-N 251.326 0.843 0 50 CCAA CN(Cc1nc(C(N)=O)no1)CC1CCOCC1 252505688 VSQFTKRRRVNISQ-UHFFFAOYSA-N 254.290 0.027 0 50 CCAA CC(C)CCn1cc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)nn1 299746624 YRTBMGNHISCUBG-KOLCDFICSA-N 297.334 0.362 0 50 CCAA CCCN(Cc1nccn1C)C(=O)N[C@@H](C)C(=O)N(C)C 534584977 MUIFIGWOSLJTPU-NSHDSACASA-N 295.387 0.818 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(OC)c2)CN1 299777561 KGKANTOPCVJDEV-PWSUYJOCSA-N 278.308 0.329 0 50 CCAA O=C([C@H]1CNCCO1)N1CC(Oc2ccc(F)cc2)C1 299797579 RUNSWPDZWVOMRI-CYBMUJFWSA-N 280.299 0.404 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)CCn1cncn1 827992371 MGFVTYWQRQLTFJ-QMMMGPOBSA-N 262.317 0.886 0 50 CCAA Cc1csc(CNC(=O)CCCS(N)(=O)=O)n1 828032754 NQZUFBIXISFDLS-UHFFFAOYSA-N 277.371 0.136 0 50 CCAA O=C(CC1CCNCC1)N1C[C@H](O)[C@@H](N2CCCC2)C1 828896620 AGMFDMLVCVXQCZ-KBPBESRZSA-N 281.400 0.044 0 50 CCAA Cc1nc[nH]c1C(=O)N1CCC[C@@H](CN2CCOCC2)C1 584885096 NJLNVKMMQKVYGY-ZDUSSCGKSA-N 292.383 0.903 0 50 CCAA NC(=O)CN1CCC[C@@H](c2ncnn2-c2ccncc2)C1 670449173 GVZPMAPXVHLDCM-LLVKDONJSA-N 286.339 0.327 0 50 CCAA O=C(NC[C@@H]1CCCc2ccccc21)[C@@H]1C[C@@H](O)CN1 269214294 CYNFSSNDNZDFCD-GUTXKFCHSA-N 274.364 0.946 0 50 CCAA C[C@@]1(O)CCN(C(=O)c2c(O)cccc2F)C[C@@H]1O 96150834 UQMHKRMJJLDPCA-GXFFZTMASA-N 269.272 0.489 0 50 CCAA C[C@@H](CC[S@](C)=O)Nc1cc(-n2cccn2)nc(N)n1 271453185 QBRRGZPJFINWLH-LXGOIASLSA-N 294.384 0.814 0 50 CCAA Cc1noc([C@H]2C[C@@H](O)CN2C[C@@H](O)C(F)(F)F)n1 408390403 VLFUNIHVVDTHTA-BWZBUEFSSA-N 281.234 0.409 0 50 CCAA Cc1cc(C(=O)NCC(C)(C)N2CCOCC2)cnn1 170604561 HTDHZXTZANITKS-UHFFFAOYSA-N 278.356 0.626 0 50 CCAA C[C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)c1cccnc1 170613289 GSYZPLLRVWNJFA-VHSXEESVSA-N 285.369 0.539 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2n[nH]c(C)n2)C1 643856006 RQQBMAZGWUROES-ZJUUUORDSA-N 262.317 0.798 0 50 CCAA COCCC(C)(C)C(=O)N1CC[C@@](O)(c2cnn[nH]2)C1 583619112 IAGMDZCTRKUVDE-ZDUSSCGKSA-N 282.344 0.287 0 50 CCAA CN1CCO[C@@H](CNS(C)(=O)=O)[C@@H]1c1ccccc1 583616496 BAEWYSMANLZGJA-STQMWFEESA-N 284.381 0.608 0 50 CCAA O=C(c1ccc2c(c1)COB2O)N1CCC[C@@H]1c1cc[nH]n1 584984390 XTVJOJPNCINDEM-CQSZACIVSA-N 297.123 0.605 0 50 CCAA CC(C)(C)OC(=O)[C@]1(C(=O)NCCCCO)CCCO1 585120700 CMOMNYHVTBUOLB-CQSZACIVSA-N 287.356 0.766 0 50 CCAA CC(C)[C@@H](O)CN1CCC[C@@]2(CCS(=O)(=O)C2)C1 660734100 IFRWLENUUZITDU-QWHCGFSZSA-N 275.414 0.904 0 50 CCAA Cc1ccc(CN(C(=O)[C@@H](N)CO)C2CC2)s1 1506405070 UVGCBRCGYGCAHC-NSHDSACASA-N 254.355 0.867 0 50 CCAA O=C(c1cc2c([nH]1)CCC2)N1CC(O)(C(F)F)C1 1857527701 JKILGMDKQWJHCX-UHFFFAOYSA-N 256.252 0.955 0 50 CCAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccon3)C[C@@H]12 1704299375 PCDWWGOZINTKGF-TZMCWYRMSA-N 279.340 0.593 0 50 CCAA Cc1nc(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)no1 1875247768 ROUPXQHBEXORPR-CHWSQXEVSA-N 278.356 0.673 0 50 CCAA COCC[C@H]1COCCN1C(=O)c1cncnc1 330900926 AWHPOFUESMUSRG-NSHDSACASA-N 251.286 0.354 0 50 CCAA CCCn1c(C)nnc1CN1C[C@@H](OC)C[C@H]1CO 332648582 CFHBFNLSRGKNKN-RYUDHWBXSA-N 268.361 0.578 0 50 CCAA C[C@@H](CC(=O)O)NS(=O)(=O)c1cccc2c1OCO2 337973063 GJVZMTAAWYUWOH-ZETCQYMHSA-N 287.293 0.557 0 50 CCAA O=C(NCCCn1ccnc1)[C@@H]1CC2CCN1CC2 1775984181 JBTHOVIMWBKWKD-ZDUSSCGKSA-N 262.357 0.874 0 50 CCAA Cc1nc2ncc3c(=O)n(CCc4c[nH]cn4)ccc3n2n1 13638742 XUNYIYBCQCJLJS-UHFFFAOYSA-N 295.306 0.713 0 50 CCAA C[C@H]1NC(=O)[C@@H]2C[C@H](NCc3ccccc3F)CN2C1=O 14540828 WKLNIGPAAGSIRG-CDMKHQONSA-N 291.326 0.403 0 50 CCAA COC(=O)c1ccnc(C(=O)NC[C@@H]2CCCO2)c1 408521619 YNKUWHJYUITBJR-JTQLQIEISA-N 264.281 0.777 0 50 CCAA C[C@H](NC(=O)N1CCN(C(=O)C2CC2)C1)c1ncnn1C 922162194 ZHWUCEAUKJGHTQ-VIFPVBQESA-N 292.343 0.097 0 50 CCAA Cc1cc(CN2CCCC[C@H]2CS(N)(=O)=O)no1 931225287 GRZGSKYNTYMKRS-NSHDSACASA-N 273.358 0.626 0 50 CCAA COc1cc(CCN2C(=O)NC[C@H](O)C2=O)cc(OC)c1 1875278795 GUTRTQPVOODFEI-LBPRGKRZSA-N 294.307 0.159 0 50 CCAA O=C(NC[C@H]1CSCCO1)c1cc(O)nc(C2CC2)n1 1875307295 MULBIVNFOJDILL-VIFPVBQESA-N 295.364 0.921 0 50 CCAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@@H]1Cc2nccn2C1 1875311159 ORUYQLSQBYYRPH-NZFPMDFQSA-N 275.308 0.281 0 50 CCAA Cc1ccoc1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 168042887 DCJDKIMNLUDNBR-ZDUSSCGKSA-N 277.280 0.402 0 50 CCAA CC(C)(C)NC(=O)CCn1nc2ccccn2c1=O 330429407 IIDGZNDRTQNNPO-UHFFFAOYSA-N 262.313 0.801 0 50 CCAA Cc1cc(O)nc(CCNC(=O)N2CCC[C@H](O)C2)n1 426396404 KMJFATZYTKFQER-JTQLQIEISA-N 280.328 0.199 0 50 CCAA COc1ccnc(CSc2nnc(CN)n2C)c1 426622908 IMAZIJALFIKOIC-UHFFFAOYSA-N 265.342 0.970 0 50 CCAA NC(=O)C1(O)CN(Cc2ccc(Br)cc2)C1 685943586 YDIZXCSJSHDOOO-UHFFFAOYSA-N 285.141 0.481 0 50 CCAA C1CN(Cc2nnc3n2CCSCC3)CCO1 2100539743 WNWODUHMGNFAKW-UHFFFAOYSA-N 254.359 0.400 0 50 CCAA C[C@@H](NC(=O)C1(n2ccnn2)CC1)C(C)(C)C(=O)O 2325790908 VWJZTSYSFMVDJR-MRVPVSSYSA-N 266.301 0.383 0 50 CCAA CNC(=O)c1cc(C)nc(N2C3CCC2(CN)CC3)n1 2325800181 UXRDIIIBIFTBTQ-UHFFFAOYSA-N 275.356 0.605 0 50 CCAA Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O 328351 WXWQVDBZDNPNLZ-UHFFFAOYSA-N 270.292 0.482 0 50 CCAA in-vitro Cn1cc(CC(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)c2ccccc21 2356170309 MZRGZIIBSGWIOW-GXTWGEPZSA-N 297.358 0.925 0 50 CCAA Cc1cn(S(=O)(=O)c2ccc(F)cc2)c(=O)[nH]1 9203808 REWRUOBTTCDTQO-UHFFFAOYSA-N 256.258 0.861 0 50 CCAA COCCN1C[C@@H](C(=O)NC2(CO)CCCCC2)CC1=O 53075007 XGXGGBBBYHYDKN-LBPRGKRZSA-N 298.383 0.293 0 50 CCAA C[C@H](NC(=O)CCN1CCCCO1)c1ncn[nH]1 55271499 BNQWOAGTBBLGLK-VIFPVBQESA-N 253.306 0.399 0 50 CCAA COC[C@@H](C)NC(=O)c1cccc(NS(C)(=O)=O)c1 10314643 JCQQSGZCWWHTHJ-SECBINFHSA-N 286.353 0.823 0 50 CCAA CC(C)=CCN1CCCn2nc(C(=O)NCCO)cc2C1 65398794 WVASSYOMLCKCBV-UHFFFAOYSA-N 292.383 0.777 0 50 CCAA COC(=O)[C@H](C)N(C(=O)CN(C)C(C)=O)C1CCC1 253427940 BJKGJOMZQNDZPY-VIFPVBQESA-N 270.329 0.407 0 50 CCAA CCc1nc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)n[nH]1 328998891 WZTSDOIOYJBXGE-IJLUTSLNSA-N 280.372 0.729 0 50 CCAA CO[C@@H](C)c1nsc(N2C[C@H]3[C@@H](C2)OCCN3C)n1 329726127 OKYPXMMPBJXJPE-LPEHRKFASA-N 284.385 0.765 0 50 CCAA CCCc1cnc(C)nc1N1CC[C@H](CO)[C@H](O)C1 72161436 OWJOMRXDBCBMDY-CHWSQXEVSA-N 265.357 0.917 0 50 CCAA Cc1nc(C)c(CC(=O)N2C[C@H](C)N[C@@H](C)C2)c(=O)[nH]1 153226424 WOGXJSKFLHYKJX-IUCAKERBSA-N 278.356 0.138 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCCc2c(C)noc2C)N(C)C1 330525053 BYNDQIKVBTXRNK-AAEUAGOBSA-N 281.356 0.669 0 50 CCAA NC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 72164361 JSQYMYJZNKVOFH-CYBMUJFWSA-N 275.352 0.295 0 50 CCAA Cn1nnc2ccc(C(=O)N3CC[C@@](O)(C4CC4)C3)cc21 365150945 TUSJXQOFBKIARY-HNNXBMFYSA-N 286.335 0.955 0 50 CCAA O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@@H]1CNCCO1 262641909 QXQNJZHOLATLSH-RYUDHWBXSA-N 284.743 0.478 0 50 CCAA O=C(NC1CC1)[C@H]1CN(c2ccncc2F)CCN1 72167891 NDSYTHJATWHNOA-LLVKDONJSA-N 264.304 0.278 0 50 CCAA O=c1c2ccccc2ncn1CCN1CCCS1(=O)=O 332209013 ZHSXKCHRCJEPNO-UHFFFAOYSA-N 293.348 0.432 0 50 CCAA CN1CCC[C@H](N2CCN(C(=O)C3(O)CCCC3)CC2)C1 369340731 AJEHFBYUVYOFMG-AWEZNQCLSA-N 295.427 0.530 0 50 CCAA CCCS(=O)(=O)CC(=O)N1CCC[C@H](C)[C@@H]1CN 236782665 HACYJDGDTLOBET-QWRGUYRKSA-N 276.402 0.397 0 50 CCAA O=C1OCC2(CCN(C(=O)c3ncccc3O)CC2)O1 219209411 WBASXQKPJXKTDD-UHFFFAOYSA-N 278.264 0.929 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1ncccc1O 72424747 QNSPKFOCJYVOLI-QMMMGPOBSA-N 266.253 0.103 0 50 CCAA Cc1nccc(N2CCN(c3nccn(C)c3=O)CC2)n1 173989959 PYZFKLGRILVLAJ-UHFFFAOYSA-N 286.339 0.205 0 50 CCAA C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N)C2)CCS1 335030906 ULADAMOVMLRVJV-WDEREUQCSA-N 285.413 0.290 0 50 CCAA CO[C@H](C)CS(=O)(=O)Nc1ccc2c(c1)C(=O)NC2 242389656 ZZJGTVHLSSHZHE-MRVPVSSYSA-N 284.337 0.707 0 50 CCAA O=C(NCc1noc(-c2cccs2)n1)c1cnn[nH]1 49465461 KFIGGDKSIQAMSH-UHFFFAOYSA-N 276.281 0.846 0 50 CCAA Cc1ccc(CNC(=O)N2CCNC(=O)[C@@H]2CCO)cc1 426410445 GVIYJIUCNOFUPJ-ZDUSSCGKSA-N 291.351 0.387 0 50 CCAA O=C(O)CCC(=O)N1CCC(CN2CCCC2=O)CC1 426504675 YDBGGLCTFLCCLJ-UHFFFAOYSA-N 282.340 0.712 0 50 CCAA CCCCc1ncc(CN2C[C@@H]3NCCO[C@H]3C2)[nH]1 426653006 SJLDKWVDQGYANY-STQMWFEESA-N 264.373 0.925 0 50 CCAA C[C@@H](Cc1cnccn1)N(C)CCN1CCCC1=O 244594238 DJALCXLUSCLDFL-LBPRGKRZSA-N 262.357 0.962 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 242649296 SADYJQNJLLWXCC-FJJYHAOUSA-N 286.287 0.448 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H](N)c2ccccc2)CC1=O 299741964 AMRICLINZFDWLY-PBOSXPJTSA-N 287.363 0.812 0 50 CCAA CC[C@H](NS(=O)(=O)c1cc(C)nn1C)[C@H]1C[C@H](O)C1 252571771 YNOZJOKCOYLRMF-DCAQKATOSA-N 287.385 0.556 0 50 CCAA CCc1cc(CN(C)CCn2c(O)nc(C)cc2=O)on1 253537163 ZYVCXJZVPOSYRJ-UHFFFAOYSA-N 292.339 0.940 0 50 CCAA CC(C)C(=O)N1CCC[C@@H](NS(=O)(=O)N(C)C)C1 534673443 FUNDHPCDXUVYLG-SNVBAGLBSA-N 277.390 0.029 0 50 CCAA Cc1cc(C)n(C[C@H](C)NC(=O)Cc2c(C)[nH][nH]c2=O)n1 299763507 XEVNXQNEAULDHW-VIFPVBQESA-N 291.355 0.572 0 50 CCAA Cc1cc(C)c(C(=O)N2CCN3C(=O)OC[C@H]3C2)c(O)n1 493312454 NEXKNPKPWINENQ-SNVBAGLBSA-N 291.307 0.681 0 50 CCAA Cc1nccn1CCCN(C)C[C@H]1COCCO1 244900090 ZVVHVTRVFIJNKA-ZDUSSCGKSA-N 253.346 0.929 0 50 CCAA O=C1CC[C@@]2(C(=O)O)N1c1ccccc1-c1nnnn12 952963158 DGSSPIQYJUIDSR-GFCCVEGCSA-N 271.236 0.218 0 50 CCAA C[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H](C)N1C 408167724 GBDGDFKGEWWVJI-AOOOYVTPSA-N 251.334 0.288 0 50 CCAA Cn1ccnc1CNC(=O)N[C@H]1CCCOCC1 408117557 DRQZVMYNEUSUIT-JTQLQIEISA-N 252.318 0.788 0 50 CCAA Cn1cc(CC(=O)N[C@@](C)(C(N)=O)c2ccccc2)cn1 170627484 JHGOXCUSCNIUIS-OAHLLOKOSA-N 286.335 0.480 0 50 CCAA C[C@@H]1C(=O)NCCCN1C(=O)CCOC1CCOCC1 188917333 XXPQHYFNFWKAJJ-LLVKDONJSA-N 284.356 0.309 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1nc(C(C)(C)C)n[nH]1 643822465 UNDFXXUYOXTSPO-AWEZNQCLSA-N 295.387 0.569 0 50 CCAA O[C@]1(c2cnn[nH]2)CCN(CCOc2ccccc2F)C1 583618305 MASBGLDBYPCBME-CQSZACIVSA-N 292.314 0.916 0 50 CCAA COc1nc(C)ccc1C(=O)N(C)CCC(=O)O 683312539 AFTPCOOUIJEXMR-UHFFFAOYSA-N 252.270 0.945 0 50 CCAA CCn1ccc(CC(=O)N2CCCNC(=O)[C@@H]2C)n1 649953776 ARBUWTLINIQNCF-JTQLQIEISA-N 264.329 0.183 0 50 CCAA NCCNS(=O)(=O)c1ccc(Br)c(F)c1 195544451 WLQAXFIBDGUQKN-UHFFFAOYSA-N 297.149 0.825 0 50 CCAA CC(C)(C)n1cc(CN2CC[C@@](O)(c3cnn[nH]3)C2)cn1 794017494 WNBFKJWWCAPFRL-AWEZNQCLSA-N 290.371 0.850 0 50 CCAA N[C@H]1C[C@H](NC(=O)Cn2ncc3cccnc32)C12CCC2 1615555428 SYFGYWOOOSULRO-RYUDHWBXSA-N 285.351 0.817 0 50 CCAA Cn1cc(CNC(=O)[C@H]2NCCOc3ccccc32)nn1 1615555205 ZGIYIZRLLVHZIW-ZDUSSCGKSA-N 287.323 0.155 0 50 CCAA Cc1cn(C)nc1CNS(=O)(=O)c1c(N)noc1C 1615605353 KXBOAEHOOIJSIJ-UHFFFAOYSA-N 285.329 0.086 0 50 CCAA CO[C@@H]1COC[C@@H]1S(=O)(=O)NCCCc1ccccc1 1616036439 MNUMTXIKPPNIKJ-KGLIPLIRSA-N 299.392 0.952 0 50 CCAA CC(C)NC(=O)CN1CCN(CCc2nccn2C)CC1 1506398468 BYBKSLSROHXCJB-UHFFFAOYSA-N 293.415 0.105 0 50 CCAA Cc1nncn1CCN1CCCC[C@H]1CN1CCOCC1 1506395687 KWQZENKWEARGBB-HNNXBMFYSA-N 293.415 0.773 0 50 CCAA CCOC(=O)[C@H](Cc1ccccc1)[N@@]1C[C@@H]1C(N)=O 1857666465 HLOLXTJETWRSPL-HWWQOWPSSA-N 262.309 0.330 0 50 CCAA Cc1csc(CNC(=O)[C@H]2CC[C@H](N)[C@@H](O)C2)n1 1875249163 JAHRYQYDSGTBNQ-GUBZILKMSA-N 269.370 0.556 0 50 CCAA NC(=O)c1cnc(C(=O)N2CCCCCCC2)cn1 1772706858 NOLSLJXTGFQHPE-UHFFFAOYSA-N 262.313 0.982 0 50 CCAA CN(C)C(=O)c1cccc(N2CCC([C@@H](O)CO)CC2)n1 1772710249 TVUIWGJNFKJOIE-ZDUSSCGKSA-N 293.367 0.353 0 50 CCAA COCCN1CCC[C@](O)(CNC2CCC2)C1=O 12193725 FXEWKMMXRZLTNA-ZDUSSCGKSA-N 256.346 0.128 0 50 CCAA COC(=O)CN(C)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 12387260 IUQVGWPUPNUEHB-NSHDSACASA-N 296.367 0.799 0 50 CCAA O=C(c1ccc(Cl)cc1-n1cnnn1)N1CCOCC1 12390125 COBAAIPOJTZUEJ-UHFFFAOYSA-N 293.714 0.788 0 50 CCAA Nc1ncc(I)cc1CO 19735570 PRUOIEDNVWNRSO-UHFFFAOYSA-N 250.039 0.761 0 50 CCAA COC(=O)[C@]12CNC[C@@H]1CCN2C(=O)OC(C)(C)C 205362090 JLWQTCIZMBJTKI-ZANVPECISA-N 270.329 0.758 0 50 CCAA CCn1nc(CC(=O)NC)nc1-c1cccc2nn[nH]c12 1857668526 VBPDPEJNKACVNC-UHFFFAOYSA-N 285.311 0.525 0 50 CCAA COC[C@@H](O)CN1CCc2nnn(C3CC(C)C3)c2C1 640039121 VLWUNJZLPCARBG-MCIGGMRASA-N 280.372 0.615 0 50 CCAA CCN(CC)C(=O)CNC(=O)NCC(=O)NC1CCCC1 725864336 DKDJZHUBBYXLPX-UHFFFAOYSA-N 298.387 0.213 0 50 CCAA Cn1ccnc(N2CCC[C@@H](N[C@@H]3CCCOC3)C2)c1=O 328647526 TZWFNXPONFEOII-CHWSQXEVSA-N 292.383 0.518 0 50 CCAA CN[C@@H]1CCCN(Cc2cc(=O)n3nccc3[nH]2)C1 330362973 HKJWKFHIJTVABU-SNVBAGLBSA-N 261.329 0.206 0 50 CCAA CN=c1ccc(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c[nH]1 367638366 OZMJIOAIJNTPMM-LLVKDONJSA-N 286.339 0.683 0 50 CCAA Cn1ncc(CS(=O)(=O)CCc2ccccc2)n1 1875279292 MWSUHDVKHVXBOE-UHFFFAOYSA-N 265.338 0.973 0 50 CCAA COC[C@H](NC(=O)c1ccc(C2CC2)s1)C(N)=O 1875253830 CGIKQRSCWOWUKW-QMMMGPOBSA-N 268.338 0.856 0 50 CCAA Cc1cc(NC(=O)N2CCCS(=O)(=O)CC2)on1 1875259744 VFACLJFRCRKGEW-UHFFFAOYSA-N 273.314 0.635 0 50 CCAA CCn1c(C(=O)N2C[C@@H](N)[C@H](N)C2)cc2ccccc21 1875270224 RUSSSHUJZGZENT-VXGBXAGGSA-N 272.352 0.772 0 50 CCAA CN(C)C/C=C/C(=O)NCC[C@@H]1CC(=O)N(C)C1 1875377121 SYHLTNQDXYJFEN-SGUJLRQBSA-N 253.346 0.089 0 50 CCAA O=C1CC[C@H](CNC(=O)c2cc(O)nc(C3CC3)n2)O1 1875333002 USZGIUMCYBVITO-MRVPVSSYSA-N 277.280 0.495 0 50 CCAA CC[C@H]1C(=O)NCCCN1C(=O)Cn1cc(C2CC2)cn1 886533702 MTCVIPNGHVYJLN-ZDUSSCGKSA-N 290.367 0.888 0 50 CCAA COCc1nccc(N2CC(CN3CCOCC3)C2)n1 893943410 RBZBSXQSKPICMG-UHFFFAOYSA-N 278.356 0.391 0 50 CCAA Cn1cnc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)ccc21 629245050 OUBCHLMUXWPRGF-GWCFXTLKSA-N 275.308 0.453 0 50 CCAA Cc1n[nH]c(C)c1CCN[C@@H](C)CS(C)(=O)=O 821381969 ZNLRPLBIBIWMOK-QMMMGPOBSA-N 259.375 0.592 0 50 CCAA COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)c1 4827783 CBQQOPOPWYUFDV-JTQLQIEISA-N 287.279 0.809 0 50 CCAA Cc1nn(C)c(C)c1[C@@H](NC(=O)C1CC1)C(=O)O 2325780721 KFGTZGWBFZUGOL-SNVBAGLBSA-N 251.286 0.689 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@H](C)O)cc1 188456 SZILOGOOPIXJAQ-WPRPVWTQSA-N 273.310 0.107 0 50 CCAA NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 617077 BPYSDGKSIAXINK-JTQLQIEISA-N 272.301 0.464 0 50 CCAA Cn1nnnc1[C@@H]1CN(c2ncc(Cl)cn2)CCO1 2356148134 IVDXSWOABJYJGH-QMMMGPOBSA-N 281.707 0.231 0 50 CCAA C[C@H](O)C1CCN(c2ncc3ncn(C)c3n2)CC1 2356167544 RSTIDDLDUMKYKK-VIFPVBQESA-N 261.329 0.961 0 50 CCAA CNC(=O)N(O)[C@H]1N(N)C(=S)SC1(C)C 3876667 HQSRJNOBGJFZRM-SCSAIBSYSA-N 250.349 0.329 0 50 CCAA N=C(N)SC[C@@H]1CN=C(N2CCOCC2)S1 4965037 MBUKRFNZQZHIRW-ZETCQYMHSA-N 260.388 0.417 0 50 CCAA CC(=O)N[C@H](C(=O)N(C)[C@@H]1CCOC1)C1CCCC1 109721462 KHIMCNDELRRMII-OLZOCXBDSA-N 268.357 0.929 0 50 CCAA COc1ccc(C)cc1NC(=O)C[C@H]1NCCNC1=O 9483960 MEHRIADJPFDOMS-LLVKDONJSA-N 277.324 0.420 0 50 CCAA CCc1ccccc1OCCN(C)C[C@@H](O)CO 55120619 MQZQKYPCCNYASW-CYBMUJFWSA-N 253.342 0.913 0 50 CCAA Cc1ccc(CNC(=O)CN(C)S(C)(=O)=O)cc1 22606411 BSJCRQLJJRZNBJ-UHFFFAOYSA-N 270.354 0.503 0 50 CCAA CCNC(=O)[C@@H]1C[C@H](N)CN1Cc1cnn(C)c1C1CC1 67894294 VZFKWSWMWZSSCY-STQMWFEESA-N 291.399 0.335 0 50 CCAA Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccon2)cnn1C 328615107 XQZQCANXRLIYDZ-CABZTGNLSA-N 276.296 1.433 0 50 CCAA CC1CCN(C(=O)CSCc2nnn(C)n2)CC1 329621814 FREDLGHYTGPWDQ-UHFFFAOYSA-N 269.374 0.702 0 50 CCAA CCNC(=O)N1CCC(C(=O)O)(n2cc(C)cn2)CC1 72453979 XHDZAEXANNLSSL-UHFFFAOYSA-N 280.328 0.797 0 50 CCAA Cc1cc(=O)[nH]c(CCNC(=O)c2ccc3nccn3c2)n1 219713787 AFGJLIHYSSSBIS-UHFFFAOYSA-N 297.318 0.699 0 50 CCAA C[C@@H]1CN(C(=O)C(C)(C)O)CC2(CCOCC2)O1 375926303 FWVQBXRKAPKGFU-SNVBAGLBSA-N 257.330 0.554 0 50 CCAA Cn1cc([C@@H](O)C[C@@H]2CCCN2S(=O)(=O)C2CC2)cn1 367249166 SUTNBSZFDAKZOH-AAEUAGOBSA-N 299.396 0.800 0 50 CCAA CC(=O)N1CC(C(=O)N2CCC[C@H]3COC[C@H]32)C1 367255482 XSWTZIMZZBBUPO-CMPLNLGQSA-N 252.314 0.102 0 50 CCAA CN(C)C[C@]1(O)CCN(C(=O)CCCc2cn[nH]c2)C1 72144484 TXIXKAOUKFXRGA-CQSZACIVSA-N 280.372 0.257 0 50 CCAA C/C=C/C[C@H](CO)NC(=O)[C@H]1CCc2cnn(C)c2C1 282407687 QRBGOFBKNUKUSO-JCMPJRQWSA-N 277.368 0.968 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2scc3c2OCCO3)CCO1 72430405 OVPDAJMLKNCOCH-SSDOTTSWSA-N 299.304 0.445 0 50 CCAA O=C([C@@H]1CNCCO1)N1CCNC[C@H]1c1ccccc1 333480088 BIHNABZBCBFJHB-KBPBESRZSA-N 275.352 0.148 0 50 CCAA Cc1cccc([C@@H](NC(=O)[C@H]2COCCO2)C(=O)O)c1C 263074873 PJJCYBMLKRHQOX-CHWSQXEVSA-N 293.319 0.961 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)NC1(C(=O)O)CC1 237718719 ALSSHDMUDBRSRT-UHFFFAOYSA-N 267.285 0.149 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cc(C)c(F)cc2F)C1 284527943 GQBYGAKLYVPSID-UFBFGSQYSA-N 298.289 0.988 0 50 CCAA COC(=O)C(C(=O)OC)=C(/C=C/C=C/N(C)C)N(C)C 49581154 ITRXSEXAWFJLNA-FIFLTTCUSA-N 282.340 0.780 0 50 CCAA Cc1ncc(C(=O)N2C[C@H](C)N(CCO)[C@H](C)C2)c(C)n1 456217109 WMJSQPHUFWRKFE-PHIMTYICSA-N 292.383 0.621 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CN1CCc2ccccc21 286971031 RYFQZQDTUUOWTB-YPMHNXCESA-N 291.326 0.473 0 50 CCAA Nc1[nH]nc(C(=O)NCc2nnc3ccccn23)c1Cl 222638637 SADYGCZYUYRLBG-UHFFFAOYSA-N 291.702 0.618 0 50 CCAA CS(=O)(=O)CCC(=O)NCC1(O)CCCCC1 87039818 LQFBFRJJXJRSLS-UHFFFAOYSA-N 263.359 0.233 0 50 CCAA COCC[C@H](C)CNC(=O)N(C[C@H](C)O)[C@@H](C)CO 1365647366 QCHIQVUGIGMALW-SRVKXCTJSA-N 276.377 0.432 0 50 CCAA COc1cccc(B(OCCN)c2ccccc2)c1 196074747 BOVFIVWYNMOKCV-UHFFFAOYSA-N 255.126 0.776 0 50 CCAA CCCn1cc(C(=O)N2CCOC[C@H]2CO)c(C)n1 92099742 RNBCLLIFFDWBJX-LLVKDONJSA-N 267.329 0.435 0 50 CCAA COCc1cc(N[C@@H](CC(C)C)C(N)=O)ncn1 92097905 RMNWKOHBMAGVCP-JTQLQIEISA-N 252.318 0.935 0 50 CCAA CC(C)=CC(=O)N1CC[C@@]2(CCCN(CCO)C2=O)C1 92077308 DLAYFZKHRLOEGO-HNNXBMFYSA-N 280.368 0.786 0 50 CCAA CCCN(C)S(=O)(=O)NC[C@H]1CCC[C@H]1O 239722544 CDEVZTHDSXZGLP-NXEZZACHSA-N 250.364 0.324 0 50 CCAA CC(=O)NCCNCc1cc(=O)c2cccc(F)c2[nH]1 95383146 FOLIAWXTXXLTAL-UHFFFAOYSA-N 277.299 0.893 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nncs1 239038719 DTBVBKURAWEEKE-RULNZFCNSA-N 265.294 1.000 0 50 CCAA COc1c[nH]c(C(=O)NCc2c(C)noc2C)cc1=O 524735037 PZHLCUYNPULANL-UHFFFAOYSA-N 277.280 0.918 0 50 CCAA CN(C)C[C@H]1CN(C(=O)/C=C/c2cncc(O)c2)CCO1 182024469 SQXYAXQLAPETHM-XGACYXMMSA-N 291.351 0.589 0 50 CCAA C[C@H](CCNC(=O)c1cncn1C)N1CCN(C)CC1 534586320 NCIZICFBLDUUIB-GFCCVEGCSA-N 279.388 0.176 0 50 CCAA COc1cc(C(=O)N[C@H](C)CN2CCOCC2)ccn1 534589593 HGNAXHNHQLHQDO-LLVKDONJSA-N 279.340 0.541 0 50 CCAA C[C@H]1CN(c2ccc(-c3nccn3C)nn2)CCN1 534649197 KXQSISAIOYPBFT-JTQLQIEISA-N 258.329 0.675 0 50 CCAA Cc1nc(N(C)C)nc(NC[C@@H]2CCNC[C@H]2O)c1C 534577697 FIVHJGMJLPAIPQ-NWDGAFQWSA-N 279.388 0.542 0 50 CCAA CC(=O)NCCNC(=O)N[C@@H](c1nccn1C)C(C)C 534675155 VGZWWRKXJYZXJB-LLVKDONJSA-N 281.360 0.553 0 50 CCAA C[C@@H](CN1CCOCC1)NC(=O)C(=O)c1cccn1C 351695141 RJVTUCBEQXZFKX-NSHDSACASA-N 279.340 0.045 0 50 CCAA CCc1nc(CCNC(=O)CCCn2cnnn2)cs1 299776656 CAPNTZLGTSVOGN-UHFFFAOYSA-N 294.384 0.831 0 50 CCAA O=C1CCCCN1CCCC(=O)N1CCC[C@H](O)C1 828627420 UFCUJJBAWYIVCL-LBPRGKRZSA-N 268.357 0.762 0 50 CCAA CCOC[C@H](O)Cn1cnc2ccc(OC)cc2c1=O 584902426 UFDDOPRTSJNYRI-SNVBAGLBSA-N 278.308 0.803 0 50 CCAA CNC(=O)C[C@@H]1CCN(c2ncc(F)c(OC)n2)C1 670448193 UPGVQBWHSJHEMN-QMMMGPOBSA-N 268.292 0.587 0 50 CCAA CNC(=O)c1noc(CNC(=O)c2ccncc2C)n1 670453672 QYLSRMACLKSEEG-UHFFFAOYSA-N 275.268 0.063 0 50 CCAA Cc1nonc1CNS(=O)(=O)N1CCCCCC1 742324881 GWKWDHAWFYJPIV-UHFFFAOYSA-N 274.346 0.588 0 50 CCAA NC1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCS3)C2)CC1 131890088 GYMXVEFBFNLURX-OLZOCXBDSA-N 283.441 0.906 0 50 CCAA Cc1cc(=NC(=O)NCC[C@@H]2CNC(=O)C2)cc(C)[nH]1 1548453655 RZZCZTCEGRQDAO-NSHDSACASA-N 276.340 0.768 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)NCc1ccc(F)cn1)C2 1553463283 JNVMETZXYZZMJC-ZANVPECISA-N 264.304 0.853 0 50 CCAA CC(C)[C@@H](C(=O)N1CCO[C@@H]([C@@H](C)O)C1)N(C)C 408472891 XRLLKDYIKOTYAS-UTUOFQBUSA-N 258.362 0.181 0 50 CCAA CNS(=O)(=O)c1ccc(C(=O)NCCCC(C)=O)cn1 408523293 QSEZJVBELVRZRU-UHFFFAOYSA-N 299.352 0.089 0 50 CCAA CCN1CC[C@H](N2C(=O)N3CCC[C@]3(C)C2=O)C1=O 408517092 LHQWAWXBUZJWDC-TVQRCGJNSA-N 265.313 0.424 0 50 CCAA COc1cccc(OCCN2CCOCS2(=O)=O)c1 92038298 LYSVRQOYNYWQKF-UHFFFAOYSA-N 287.337 0.694 0 50 CCAA NC(=O)NCCC(=O)N1CCc2ccccc2[C@H]1CO 274808832 OLIUHQNPCURPMP-GFCCVEGCSA-N 277.324 0.163 0 50 CCAA COc1ccc(CCCN(C)C(=O)[C@H]2C[C@H](O)CN2)cc1 277763489 ZIPIPTNUPLBRFH-DZGCQCFKSA-N 292.379 0.809 0 50 CCAA Cc1cc(N2CCN(c3ncccn3)CC2)ncn1 170541432 CUJMTLOXBJRIEY-UHFFFAOYSA-N 256.313 0.902 0 50 CCAA C[C@@H](O)[C@H]1CCCN(C(=O)NCc2nc(N(C)C)n[nH]2)C1 637787334 VBBWDUWQEYTTBB-ZJUUUORDSA-N 296.375 0.173 0 50 CCAA Cc1noc2ncc(NC(=O)C3=NN4CCCN=C4N3)cc12 649318461 MOIHOHRHOWLUEJ-UHFFFAOYSA-N 299.294 0.448 0 50 CCAA Cn1cccc1C(=O)Nc1ccc(-n2nn[nH]c2=O)cc1 194303586 HMBWKFRHYWNOQV-UHFFFAOYSA-N 284.279 0.546 0 50 CCAA CN(C[C@H]1COc2ccccc2O1)C(CO)CO 65383672 YPAHUVZLQXDRAG-NSHDSACASA-N 253.298 0.111 0 50 CCAA O=C(N[C@@H](CO)C(=O)O)[C@@H]1COc2ccc(Cl)cc2C1 739370023 DPNIQFUHMHYBHB-WPRPVWTQSA-N 299.710 0.453 0 50 CCAA Cc1c(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)cnn1C 1615736923 QZPRACBDJDVAOI-WFASDCNBSA-N 287.367 0.554 0 50 CCAA Cn1c(=O)[nH]c(=O)c2[nH]c(Cc3ccccc3)nc21 204151 OOBAYFNPPVVSQT-UHFFFAOYSA-N 256.265 0.541 0 50 CCAA O=C(O)CCNC(=O)N(CCO)Cc1ccc(F)cc1 1506401185 CFYGLLKBBJFRTI-UHFFFAOYSA-N 284.287 0.804 0 50 CCAA CCc1nn(C)c(NC(=O)CCNC(C)=O)c1C 1506400300 DBWUVSYPRHCZRH-UHFFFAOYSA-N 252.318 0.756 0 50 CCAA O=C(NCCNC(=O)C(F)(F)F)[C@H]1C[C@H]2C=C[C@@H]1C2 213159008 GDCFAKHIIGVLEI-YIZRAAEISA-N 276.258 0.993 0 50 CCAA CC1(C(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)COC1 1704343177 AEPOYYPBMZVREF-CQSZACIVSA-N 283.368 0.946 0 50 CCAA CN(C(=O)[C@@H]1COCCN1CC(F)F)[C@H]1CCN=C1O 329577460 WBNWIDAVVWQHBP-IUCAKERBSA-N 291.298 0.140 0 50 CCAA COC[C@H]1CN(C(=O)CN2CCCCC2=O)CC(C)(C)O1 343750784 CYAVHKCVKSXFQO-GFCCVEGCSA-N 298.383 0.651 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCCn2cccc2)N(C)C1 345358097 WWQQQWBKSVMFIN-RYUDHWBXSA-N 251.330 0.323 0 50 CCAA CO[C@@H](CNC(=O)c1[nH]nc2ccccc12)C(=O)O 227278942 CMIQMAWQBNHVLE-VIFPVBQESA-N 263.253 0.392 0 50 CCAA C=CC(=O)N1CCC[C@](COC)(C(=O)OCC)C1 1262555625 AJVXSQBKHJAEGP-ZDUSSCGKSA-N 255.314 0.991 0 50 CCAA CCN1CCn2c(Cc3cccnc3)nnc2C1=O 1772811585 ZWTQHZRDHCHTST-UHFFFAOYSA-N 257.297 0.740 0 50 CCAA O=C(c1cn2ccsc2n1)N1CCC([C@H](O)CO)CC1 1772702370 GEQREAXMHFXZJZ-LLVKDONJSA-N 295.364 0.601 0 50 CCAA CCN1C(=O)N(C)C(=O)C12CCN([C@@H](C)CO)CC2 14538683 UNKGYZZTRCHTOV-JTQLQIEISA-N 269.345 0.116 0 50 CCAA CN1CCC(O)(C(=O)N[C@H]2CCCN3CCC[C@@H]23)CC1 1857685701 PTLWRAOGSZUESF-STQMWFEESA-N 281.400 0.186 0 50 CCAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C1(C(=O)O)CC1 154930260 XSCSHLFDUTWVJI-MRVPVSSYSA-N 279.340 0.949 0 50 CCAA NC1C[C@@H]2CCC[C@H](C1)C2NC(=O)[C@@H]1CCNC(=O)C1 261611133 FSBLTJFGQKPPFV-YHCGEODQSA-N 279.384 0.535 0 50 CCAA O=C(NCCc1cnccn1)N[C@@H]1c2ccccc2C[C@@H]1O 371553012 KLIOZZHVDHRHDG-LSDHHAIUSA-N 298.346 0.977 0 50 CCAA Cc1cnc(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)[nH]1 1138936103 DUPNRTBLMDJJBW-GRYCIOLGSA-N 251.330 0.690 0 50 CCAA O=C1C[C@H](NC(=O)COCc2cccc(Cl)c2)C(=O)N1 1875295589 KLWJLQYYPQEAMB-JTQLQIEISA-N 296.710 0.388 0 50 CCAA C[C@@H]1C[C@@H](OC(=O)c2cccc3nn[nH]c23)C(=O)O1 1875252181 HITSGEUKPAAWLU-HZGVNTEJSA-N 261.237 0.819 0 50 CCAA Cn1cc(NC(=O)c2cc(-c3cnn(C)c3)[nH]n2)cn1 1875344709 JMKRNFYYQGXRQX-UHFFFAOYSA-N 271.284 0.796 0 50 CCAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@]12C[C@@H]1[C@H](O)C2 1875313280 JJKXHGVMJUVNKT-BCZTZVGASA-N 251.282 0.221 0 50 CCAA COC(=O)CC[C@H]1NC(=O)[C@@H](CC2CCCC2)CNC1=O 1875310917 GYRFDPAXTLCKEQ-NWDGAFQWSA-N 296.367 0.751 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(CCN2CCC(C)CC2)C1 886031149 YJAGRJNMLUCOSA-STQMWFEESA-N 269.389 0.293 0 50 CCAA O=C(O)c1cnc(N2CCC[C@H](CO)CC2)cn1 262005529 RJHKTMMASMROGA-VIFPVBQESA-N 251.286 0.774 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](O)CC1 294218678 SHXFZQLEMLIJQH-LLVKDONJSA-N 287.385 0.572 0 50 CCAA Nc1cc(C(=O)NC2(CC(=O)O)CCCCC2)[nH]n1 426360509 ZGVRNOUCZLSSLC-UHFFFAOYSA-N 266.301 0.899 0 50 CCAA CC(C)C[C@H](C(=O)O)N1CCN([C@@H]2CCOC2)CC1 629489041 AEAPEQVQJMWKTG-CHWSQXEVSA-N 270.373 0.892 0 50 CCAA NC(=O)c1cccc(CN2CC[C@](F)(CO)C2)c1 338627818 XTVHXBGFFHMGMU-CYBMUJFWSA-N 252.289 0.692 0 50 CCAA C[C@@H](C(=O)N1[C@H]2CC[C@H]1C(=O)NC2)n1cc(Cl)cn1 2325794442 BVUJGGBCAPBNIM-HGNGGELXSA-N 282.731 0.587 0 50 CCAA O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3)[C@H]1O5 2522694 HLMSIZPQBSYUNL-IPOQPSJVSA-N 287.315 0.403 0 50 CCAA world Cn1cncc1C[C@H](NC(=O)OC(C)(C)C)C(=O)O 2555019 BGZFLUIZBZNCTI-VIFPVBQESA-N 269.301 0.941 0 50 CCAA COC(=O)[C@H]1COCCN(Cc2ccn3ncnc3c2)C1 2356152343 ZXKYKTYAURQNEA-GFCCVEGCSA-N 290.323 0.351 0 50 CCAA O=C(CCn1cncn1)Nc1cnn(CC(F)F)c1 116841550 NPKZCLIGXNBQDD-UHFFFAOYSA-N 270.243 0.769 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@@H](C)N1 247447021 YMIINHOWGYUTAM-MXWKQRLJSA-N 253.346 0.064 0 50 CCAA COCCS(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1C 252443682 NVBAYFHCQXTKAV-MNOVXSKESA-N 262.375 0.131 0 50 CCAA C[C@H](OCC1CC1)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 252504691 CRFYRCSNVVEHHO-NWANDNLSSA-N 296.411 0.859 0 50 CCAA O=C(Cn1ccccc1=O)N1CCC[C@H](O)CC1 408178194 PEPITNVSTDTVDM-NSHDSACASA-N 250.298 0.222 0 50 CCAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1C[C@H](O)CN1 151626942 DNYVRGGUJOVKDM-VOAKCMCISA-N 270.373 0.421 0 50 CCAA O=C(c1scc2c1OCCO2)N1CCOC[C@H](O)C1 77419241 XDMRPGGUIJQCLN-MRVPVSSYSA-N 285.321 0.353 0 50 CCAA COC[C@@H]1CCCN(c2nc(O)c3c[nH]nc3n2)C1 330095875 WIRJZGHCTLFTBD-MRVPVSSYSA-N 263.301 0.921 0 50 CCAA C[C@H](NC(CO)CO)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 216452460 IMCYMTYKOSTJRP-BAAMJQIGSA-N 269.385 0.649 0 50 CCAA COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)nn1 262567733 MDMFSMAVTLPYCH-SECBINFHSA-N 265.269 0.565 0 50 CCAA O=C(N[C@@H]1CC[S@@](=O)C1)c1csc2cncn12 332947527 QVEGHHSGYXJDBE-IWEMQMMOSA-N 269.351 0.647 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1cn2cccnc2n1 238086513 LVESVURDJXLNIC-SECBINFHSA-N 260.253 0.419 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1cnc2cccnn12 72140400 CTPGYBYJADLGGZ-SECBINFHSA-N 290.279 0.045 0 50 CCAA CNC(=O)C1(C(=O)N2CCC3(CCOCC3)[C@H]2C)CC1 335712443 MSLSYHRTNCENKC-LLVKDONJSA-N 280.368 0.930 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)COc2cccnc2)N(C)C1 285102547 MIWZDSMNSVYWQN-JSGCOSHPSA-N 293.367 0.638 0 50 CCAA CCn1cnc2c(c1=O)CCN(Cc1ccnc(N)c1)C2 286205251 QGGHSDPVHJYROX-UHFFFAOYSA-N 285.351 0.799 0 50 CCAA Cc1nccnc1C(=O)N[C@@]1(CCO)CCOC1 614079252 VJVSWKDTAUVFHV-LBPRGKRZSA-N 251.286 0.056 0 50 CCAA O=C1CC[C@@]2(CCCN(c3cnccn3)C2)CN1CCO 82139156 OFHRFPPEPCMAPZ-OAHLLOKOSA-N 290.367 0.678 0 50 CCAA CC(=O)c1ccc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)s1 96132301 NBBGQVHNCVLLPJ-WCQYABFASA-N 283.349 0.909 0 50 CCAA O=C([C@@H]1CCCO1)N1CCCN(Cc2cnc[nH]2)CC1 97757930 QWRHVEVLRUDZAN-ZDUSSCGKSA-N 278.356 0.623 0 50 CCAA CCCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 334161965 KUDRJDTURSRYPY-NSHDSACASA-N 275.308 0.653 0 50 CCAA CSCC[C@H](NC(=O)c1cncn1C)C(=O)O 235031985 KOVDSNGGZYGCJL-ZETCQYMHSA-N 257.315 0.356 0 50 CCAA O=C(CCCN1CCCCC1)NCc1cc(=O)[nH]cn1 95360526 ARMYSSBZDGMSRU-UHFFFAOYSA-N 278.356 0.652 0 50 CCAA CC(C)c1nc(CN2CCc3c(c(CO)nn3C)C2)no1 244724649 MYAWHWVESLOFFW-UHFFFAOYSA-N 291.355 0.977 0 50 CCAA Cc1nnc(CN(C)c2cc([C@H]3C[C@@H](O)C3)nc(N)n2)o1 243932057 BRXOOXFYEALOOZ-DTORHVGOSA-N 290.327 0.625 0 50 CCAA CC1(C)NC(=O)CC[C@@H]1NC(=O)c1cc2n(n1)CCC2 622587722 LHKAMTLOOPRZCE-NSHDSACASA-N 276.340 0.616 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CCNC[C@@H]1C 534659093 HRLUTMXDYNBJKX-JTQLQIEISA-N 272.374 0.194 0 50 CCAA Cc1nn[nH]c1C(=O)N1CC[C@@H](O)CC(C)(C)C1 584892110 LPGBXKJQWYDVLD-SECBINFHSA-N 252.318 0.736 0 50 CCAA CC(C)OC(=O)N1CCC(N[C@H]2CCN(C)C2=O)CC1 584890765 NJJWBNYJTFUECO-LBPRGKRZSA-N 283.372 0.816 0 50 CCAA COCCn1cnnc1CNC(=O)c1c(C)ncnc1C 584887626 DXJKYOMUPBXWAJ-UHFFFAOYSA-N 290.327 0.261 0 50 CCAA CCCc1nnc(N2C[C@H](C(=O)O)CC2=O)s1 585122770 BHMSZKCDIOMNEM-ZCFIWIBFSA-N 255.299 0.928 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)C1(COC)CC1 670437012 RDWSQPMFAVHHKA-QWRGUYRKSA-N 256.346 0.248 0 50 CCAA CCN(CC(N)=O)C(=O)Cc1ccc(OC)cc1C 935605883 GQTFPMSGOJVTFU-UHFFFAOYSA-N 264.325 0.880 0 50 CCAA C[C@H](c1ccccc1)N(C)Cc1cn(CC(N)=O)nn1 1462029356 AQDNDNNLDZHSRW-LLVKDONJSA-N 273.340 0.956 0 50 CCAA CC(=O)N1CC[C@H](Nc2ccnc(C)n2)[C@@H](O)C1 1565509358 UUVZNMRKSLFTSC-QWRGUYRKSA-N 250.302 0.179 0 50 CCAA CN(CC(F)(F)F)C(=O)N1CCn2cnnc2C1 407958806 SWILJFBINHHOOL-UHFFFAOYSA-N 263.223 0.708 0 50 CCAA CN1CC[C@@H](Nc2cccc([C@H]3CNC(=O)C3)c2)C1=O 676410811 HDZLSDWSQVFYMC-DGCLKSJQSA-N 273.336 0.933 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C1CC1 652131935 VAZUNLURHXCZME-HBNTYKKESA-N 253.298 0.735 0 50 CCAA CC(C)n1cc(NC(=O)NC[C@@H]2CNCCCO2)cn1 570865600 FMGMFWPTEWUXGA-LBPRGKRZSA-N 281.360 0.964 0 50 CCAA Nc1nc(NCc2noc(C3CC3)n2)c2ncnc-2[nH]1 758902682 HHOOLJVBPFXVFM-UHFFFAOYSA-N 272.272 0.759 0 50 CCAA CCn1cc(C(=O)NCc2nnc3ncccn23)cn1 1615002381 XLGALFJXKLBHPZ-UHFFFAOYSA-N 271.284 0.271 0 50 CCAA N[C@@H]1CC12CC(NS(=O)(=O)c1cnn(CC3CC3)c1)C2 1615059274 ZDYOIAZHPJCAIN-YXMLORGKSA-N 296.396 0.451 0 50 CCAA CCc1nccn1CCC(=O)N1C[C@H](O)[C@@H](F)C1 1615703313 SEMHJOGIPJOBIB-UWVGGRQHSA-N 255.293 0.377 0 50 CCAA NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCC1 1616038562 HPAAPQSIOFLVOZ-STQMWFEESA-N 292.335 0.723 0 50 CCAA O=C1C[C@@H](N2CCOCC2)C(=O)N1C1CCCC1 19881912 HBVMFTRMJDAZTB-LLVKDONJSA-N 252.314 0.389 0 50 CCAA COCCN(C)C(=O)[C@H]1CC(=O)N(c2nnc(C)s2)C1 1857697989 CJVUBJFLMHFIDU-VIFPVBQESA-N 298.368 0.304 0 50 CCAA CC(C)n1ccc(CN2CCC[C@](O)(C(N)=O)C2)n1 225480548 QEQFFXHZGTZPTA-CYBMUJFWSA-N 266.345 0.276 0 50 CCAA C[C@H]1CN(c2cc(N3CCCC3)ncn2)C[C@@H](CO)O1 225490467 BBPXDNJHJGIKQV-RYUDHWBXSA-N 278.356 0.663 0 50 CCAA O=C(COc1ccccc1F)NC1(C(=O)O)CC1 203661184 VYHXRZKVLSKQCB-UHFFFAOYSA-N 253.229 0.938 0 50 CCAA CN(C)c1nccnc1N1CCN(CCC(=O)O)CC1 1704314100 WKUHEBLNDACAIS-UHFFFAOYSA-N 279.344 0.139 0 50 CCAA CN(CCC(=O)O)c1cnn(C)c(=O)c1Br 263407823 LFZZVMGPLVVYRE-UHFFFAOYSA-N 290.117 0.454 0 50 CCAA Cc1ccc2ncnc(N3CC4(CNC(=O)N4)C3)c2n1 1857679735 SAOCGTQGDJHWQS-UHFFFAOYSA-N 270.296 0.205 0 50 CCAA CCc1nnc(N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)o1 1857690683 LIWPAWYPGJRZDV-NOZJJQNGSA-N 280.328 0.099 0 50 CCAA COc1cc(C(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)ccn1 1857698060 VAKBMDZPCKYSLW-KGYLQXTDSA-N 292.335 0.702 0 50 CCAA Cc1nc2nc(C)c(NC(=O)c3cccnc3)c(=O)n2[nH]1 1857726757 DPIMVQAFGHJALJ-UHFFFAOYSA-N 284.279 0.682 0 50 CCAA CO[C@@H](C)CS(=O)(=O)Nc1cnc(O)c(C)c1 253630022 UJMCSLXKXXSWME-QMMMGPOBSA-N 260.315 0.872 0 50 CCAA CN1CCC(NCc2cn(C[C@H]3CCCOC3)nn2)CC1 900531928 CTQVLYKZFIMDLZ-CYBMUJFWSA-N 293.415 0.889 0 50 CCAA CCn1nc(C)c(CNC(=O)C[C@](C)(O)C2CC2)n1 819601608 GMVYDUCTHCBZLY-ZDUSSCGKSA-N 266.345 0.774 0 50 CCAA C[C@@H](NC(=O)C1(O)CCOCC1)c1ccccn1 1116664284 DFQPEJFJTPLFGC-SNVBAGLBSA-N 250.298 0.800 0 50 CCAA CCc1nc(CN2CCN(c3n[nH]c(C)n3)CC2)n[nH]1 931628753 QMPREQLOOYYDEZ-UHFFFAOYSA-N 276.348 0.116 0 50 CCAA Nc1c[nH]nc1[C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 864376211 IZZVASSUMCMXHA-SNVBAGLBSA-N 291.355 0.320 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC(F)(F)C[C@@]1(C)CO 1875370411 NWTANFCMEAFNOH-NSHDSACASA-N 276.283 0.249 0 50 CCAA C=CC(=O)N1CCC(C(=O)Nc2cnn(COC)c2)CC1 1875367121 KNHIDNPOXRMYKL-UHFFFAOYSA-N 292.339 0.850 0 50 CCAA N[C@@H]1[C@@H](C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)[C@H]2CCC[C@@H]12 1875305484 SQAYYLUYCUXFCB-HRSNZQSQSA-N 291.395 0.487 0 50 CCAA O=C(NCC1OCCO1)N1CC[C@]2(C1)OC[C@H]1C[C@H]12 1875329439 WKIYVEATJNNIGB-GIPNMCIBSA-N 268.313 0.180 0 50 CCAA Cc1[nH]ncc1S(=O)(=O)N1C[C@@H]2CCC[C@H](N)[C@H]2C1 252847742 GGFBACZYGHLFGP-DCAQKATOSA-N 284.385 0.466 0 50 CCAA O=S1(=O)CCN(C[C@@H]2Cc3ccccc3O2)CC1 32573304 ATOOEANNTLIDJX-LBPRGKRZSA-N 267.350 0.721 0 50 CCAA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)NCCCC(=O)O)C[C@@H]3C2 262944320 BTGITGQEFPIWNR-ZIIUWJBSSA-N 282.340 0.916 0 50 CCAA Cn1cc(CC(=O)N2CCCC[C@H]2c2nc[nH]n2)cn1 181375402 BGTGULRVAXONMD-NSHDSACASA-N 274.328 0.835 0 50 CCAA C[C@H]1CN(CCN(C)Cc2ccnn2C)C[C@@H](C)O1 195317566 DZQKOPASULEZTC-BETUJISGSA-N 266.389 0.961 0 50 CCAA COc1nccnc1N[C@H](C)CN1CCOCC1 534673835 KAKZMLZDZIFSIP-SNVBAGLBSA-N 252.318 0.618 0 50 CCAA CCN1CCN(Cc2nc(C(F)(F)F)no2)C(=O)C1=O 95499699 TWOFLBQFHZEXDL-UHFFFAOYSA-N 292.217 0.279 0 50 CCAA CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2ncc[nH]2)C1 375688277 MUIPEIZPDZBPKE-SNVBAGLBSA-N 272.374 0.266 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(CC(=O)N2CCCC[C@@H]2C)C1 368486585 BZLFCLDBTIYXDG-RWMBFGLXSA-N 270.373 0.469 0 50 CCAA O[C@H]1CN(c2cc(N3CCOCC3)ncn2)CC12CC2 375414174 IPRJPRKVNQELAR-NSHDSACASA-N 276.340 0.274 0 50 CCAA CN(C)CC1(O)CCN(c2ncc(F)cn2)CC1 710624851 XXKBEZVMQRKDOU-UHFFFAOYSA-N 254.309 0.509 0 50 CCAA OCc1cnc(N2CCO[C@H](C(F)(F)F)C2)cn1 698788995 VPWQKNWZRABANX-QMMMGPOBSA-N 263.219 0.736 0 50 CCAA CC(C)c1nsc(CN2CCC(O)(C(N)=O)CC2)n1 930340371 CAIHLEUOXUZBGX-UHFFFAOYSA-N 284.385 0.474 0 50 CCAA O=C(CCc1nncn1-c1ccccc1)N[C@H]1CCNC1=O 2325757657 FFFMACXTTWHUFP-LBPRGKRZSA-N 299.334 0.205 0 50 CCAA CNC(=O)c1cnc(NCC[C@@H]2CCCN(C)C2)cn1 2325789356 LENPOULLHGMIKI-NSHDSACASA-N 277.372 0.980 0 50 CCAA CC(=O)Nc1cscc1C(=O)N[C@H]1CCC(=O)NC1=O 2325903740 STNYZSXTFQACOL-QMMMGPOBSA-N 295.320 0.242 0 50 CCAA Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1Cl 4487274 CJWXRVFOSMINGK-UHFFFAOYSA-N 279.749 0.578 0 50 CCAA O=S(=O)(NCC[C@H]1CCCN1)c1cn2c(n1)CCCC2 225427976 OZEBQJBPACWXGY-LLVKDONJSA-N 298.412 0.640 0 50 CCAA CN1C(=O)C[C@H](N2CCN(Cc3ccccc3)CC2)C1=O 100044203 OBOJJNHBTVGMQB-AWEZNQCLSA-N 287.363 0.562 0 50 CCAA N[C@@H](Cc1ccc(O)cc1)C(=O)NCC1(CO)CCCC1 67723143 YGCMXXVVFHTVAE-AWEZNQCLSA-N 292.379 0.931 0 50 CCAA O=c1[nH]c2ccccc2c(=O)n1CCCN1CCOCC1 20101587 FBUHJSLTQFPHBH-UHFFFAOYSA-N 289.335 0.412 0 50 CCAA CN1CCN(C(=O)[C@@H]2CCCO2)C[C@@H]1c1ncc[nH]1 328621908 IBCBMZDOJMPBTO-MNOVXSKESA-N 264.329 0.404 0 50 CCAA Cc1ccc([C@H](O)CNC(=O)[C@H]2CNCCO2)cc1 151916621 ZKNXHJSSIKRPGS-CHWSQXEVSA-N 264.325 0.133 0 50 CCAA Cn1nccc1CNc1nccc(N[C@@H]2CCCOC2)n1 328650562 VNXJAEPTGOUAGE-LLVKDONJSA-N 288.355 1.413 0 50 CCAA C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@H](CN)C1 430939710 MCKOXFABWKIHAZ-QWRGUYRKSA-N 290.367 0.393 0 50 CCAA CCn1cnnc1[C@@H]1CN([C@@H]2CCCC[C@H]2O)CCO1 328631527 KNQGXCUGMKKWSD-UPJWGTAASA-N 280.372 0.975 0 50 CCAA Nc1n[nH]c(C(=O)NCCc2nc(C3CC3)no2)c1Cl 216397035 UOXCDTLTSXTANC-UHFFFAOYSA-N 296.718 0.878 0 50 CCAA Cc1nc(C)n(CCCn2cnc3cn(C)nc3c2=O)n1 72166765 JZGJTAXXIBFHNW-UHFFFAOYSA-N 287.327 0.429 0 50 CCAA COc1ccc(C(=O)NCc2nc(=O)[nH][nH]2)cc1F 215083074 JAIKMWYBKDHRBE-UHFFFAOYSA-N 266.232 0.176 0 50 CCAA CN(C)C(=O)NCC(=O)NCCCc1ccncc1 216295927 LGXWSVKRHJZGBK-UHFFFAOYSA-N 264.329 0.402 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)N(C)C(C)C)[C@H](C)C1 336434659 MRKZZQQDDPLEFS-LLVKDONJSA-N 291.417 0.802 0 50 CCAA NC(=O)C[C@H]1CCN(C(=O)CC2(O)CCCCC2)C1 377170428 VGEXZXPVMVQUIT-LLVKDONJSA-N 268.357 0.796 0 50 CCAA Cc1nc(S(=O)(=O)N2CCC[C@H]2CCO)cn1C 332716807 QEXHDFMFGOFBLA-JTQLQIEISA-N 273.358 0.264 0 50 CCAA Cc1csc(Cn2cnc3c(cnn3C)c2=O)n1 129162616 ZZEPMGODPYJEPR-UHFFFAOYSA-N 261.310 0.943 0 50 CCAA C[C@H]1CN(C(=O)c2ccn(C)c2)C[C@@H](C)N1CCO 334714123 WTWSXSZPAFTYLE-TXEJJXNPSA-N 265.357 0.552 0 50 CCAA CN(CCCNC(=O)[C@H]1CNCCO1)c1ccccc1 43707518 AUNQYYMJCKVIBI-CQSZACIVSA-N 277.368 0.618 0 50 CCAA Cc1ccn(CC(=O)N[C@@H]2CCNC2(C)C)c(=O)c1 335232860 SIVZUINBBWCISF-LLVKDONJSA-N 263.341 0.413 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cc(Cl)cn2C)C1 284744133 DVGWKEQNRMATOF-IUCAKERBSA-N 285.731 0.393 0 50 CCAA COCCn1cnnc1CNC(=O)c1cc(C)no1 426615200 SOJWMUGVSCKBOK-UHFFFAOYSA-N 265.273 0.151 0 50 CCAA CN(C)C(=O)NCC(=O)NCc1ccc(C(=O)O)cc1 426381427 JTWLIJYVYJZOKZ-UHFFFAOYSA-N 279.296 0.272 0 50 CCAA O=C(O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 191597213 PKDGVZZFJYCDCH-GMTAPVOTSA-N 294.351 0.757 0 50 CCAA O=C(O)[C@H]1CC(=O)N(CCC2=CSC3=NCCCN23)C1 198100890 DINWKEOKJKGWTI-VIFPVBQESA-N 295.364 0.960 0 50 CCAA CC(C)c1cc(N[C@@H]2C[C@@H](CO)N(C)C2)nc(N)n1 95356605 IQWQJJBFHLMIAZ-ZJUUUORDSA-N 265.361 0.659 0 50 CCAA CNC(=O)Cc1cccc(NC(=O)NC[C@@H]2CCCN2)c1 426472678 HKGIEUWRMDZATK-ZDUSSCGKSA-N 290.367 0.849 0 50 CCAA O=C(NCc1cc2ccccc2o1)[C@H]1C[C@@H](O)CN1 299747633 DLVROJOSCOTRAK-ZYHUDNBSSA-N 260.293 0.772 0 50 CCAA Cn1ccnc1CCNC(=O)CN1CCCCCC1=O 252481472 CMUMUMLJJONQRB-UHFFFAOYSA-N 278.356 0.481 0 50 CCAA C[C@@H]1CCN1Cc1cnc(N(C)CC(=O)O)nc1 534590907 STMZQNKQLOBSGI-SECBINFHSA-N 250.302 0.592 0 50 CCAA CS(=O)(=O)c1cccc(S(C)(=O)=O)c1C=O 536949673 JFQUIMADUVIXJT-UHFFFAOYSA-N 262.308 0.306 0 50 CCAA C[C@@H](C(=O)NCCn1ccnn1)N1CCCCCC1 534584134 UVQJPPQTOAWIMV-LBPRGKRZSA-N 265.361 0.659 0 50 CCAA CCn1cnnc1CCNC(=O)CCn1cc(Cl)cn1 299775030 KROKMPDWZXJEGC-UHFFFAOYSA-N 296.762 0.897 0 50 CCAA CCOc1ccc(NC(=O)N[C@@H]2CNCC[C@H]2O)cc1 299795899 NDLZCYLMNMFZKS-CHWSQXEVSA-N 279.340 0.930 0 50 CCAA C[C@H]1CCC[C@@H](C)N1CCNC(=O)CCCn1cnnn1 828025725 SPBNGDXMDVFHSA-BETUJISGSA-N 294.403 0.832 0 50 CCAA COCCCN1CC[C@H](CNC(=O)c2ncc[nH]2)C1 824390234 XSCRBTLTCPVRCP-LLVKDONJSA-N 266.345 0.498 0 50 CCAA Cc1ccc2nc(CNC(=O)[C@@H](N)Cc3cnc[nH]3)[nH]c2c1 828116130 IFLLZAXFHGANMI-NSHDSACASA-N 298.350 0.781 0 50 CCAA COCCCCN1CCN(C(=O)CSC)CC1 584886674 CCJLGSBEKGTQAF-UHFFFAOYSA-N 260.403 0.920 0 50 CCAA O=c1c2nccnc2ncn1CC1(Cn2cccn2)CC1 584891384 INDUJDYRHUGZMF-UHFFFAOYSA-N 282.307 0.863 0 50 CCAA CCCN1C[C@@H](NC(=O)Cn2ccnc2C)CC1=O 670457974 ZJZIUFNIVGUFOU-NSHDSACASA-N 264.329 0.319 0 50 CCAA O=C(/C=C/c1ccc2c(c1)OCO2)N1CCNC[C@@H]1CO 1341577245 DBMXKUJCBBBNLQ-FXMSTWTQSA-N 290.319 0.221 0 50 CCAA NC(=O)CN1CCC[C@H](C(=O)NCC[C@H]2CCCOC2)C1 952976394 KHLIROVKJHMKPY-OLZOCXBDSA-N 297.399 0.117 0 50 CCAA Cc1ccc(NC(=O)[C@H](C)O)cc1NC(=O)CN(C)C 952982211 YDEMXFMOUZVINQ-JTQLQIEISA-N 279.340 0.814 0 50 CCAA C[C@H](NC(=O)CNC(=O)c1cccnc1)C(F)F 1548718475 QBLMEIZQWZUXQG-ZETCQYMHSA-N 257.240 0.581 0 50 CCAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)[C@H]1C=CCN1 952974080 ITLCELPUCRDHTP-SNVBAGLBSA-N 272.268 0.459 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565508873 AMEORZRHQVBQGW-RYUDHWBXSA-N 294.355 0.817 0 50 CCAA CC[C@](C)(CNS(=O)(=O)Cc1cc(C)on1)C(=O)O 217090840 XNFZZPLYBQPNTR-LLVKDONJSA-N 290.341 0.903 0 50 CCAA COC1(C(=O)N2CC[C@H](S(C)(=O)=O)C2)CCCCC1 407964548 JNCFLGQALXZZFS-NSHDSACASA-N 289.397 0.981 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)CC(N)(C(=O)O)C2 91366535 VUQSXDJGTIHNNW-UHFFFAOYSA-N 256.302 0.799 0 50 CCAA in-vitro O=C1CN(C(=O)c2cnccn2)[C@@H]2CCCC[C@@H]2N1 170662531 BEJZPRMOXMWXGT-GXSJLCMTSA-N 260.297 0.360 0 50 CCAA CCCC(=O)NC[C@@H]1CCCN(C(=O)CN(C)C)C1 170763021 ZLPWDIKQDDQESX-LBPRGKRZSA-N 269.389 0.703 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@H]2CCNC[C@@H]2O)s1 710378542 IBSNLUATAOBREO-IUCAKERBSA-N 276.383 0.058 0 50 CCAA COC[C@@H]1CN(C(=O)c2[nH]nnc2C)CC(C)(C)O1 583617301 DKBBTPQRNQYRJC-VIFPVBQESA-N 268.317 0.379 0 50 CCAA CC(C)Oc1ccnc(CN2CC[C@H](S(N)(=O)=O)C2)c1 649568242 TYISQVXGASYMMK-ZDUSSCGKSA-N 299.396 0.732 0 50 CCAA Cc1nc2c(NC(=O)CN(C)S(C)(=O)=O)cccc2o1 585124679 MNIMKFQHCMWNIU-UHFFFAOYSA-N 297.336 0.966 0 50 CCAA CN1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)[C@@H](CO)C1 585128075 RGGURTBMTJMCQL-IGQOVBAYSA-N 266.385 0.948 0 50 CCAA O=C([C@H]1CCCN1C[C@@H](O)C(F)(F)F)N1CCOCC1 195564285 WEJWTJNJOPJVIF-NXEZZACHSA-N 296.289 0.233 0 50 CCAA C[C@](O)(CN1CC[C@@H](S(N)(=O)=O)C1)c1ccccc1 772225893 IIRLJCDCZPVBJK-OLZOCXBDSA-N 284.381 0.257 0 50 CCAA CC1(C)OC[C@H]([C@H](O)CNc2cc(F)ncn2)O1 1615571069 FESMXRLKINQESK-HTQZYQBOSA-N 257.265 0.540 0 50 CCAA CCCN1C[C@@H](Nc2nccnc2OC)CC1=O 1506431571 PLZZEFAZQPDQQD-VIFPVBQESA-N 250.302 0.908 0 50 CCAA O=C1C[C@H](C(=O)Nc2cccc(-n3cccn3)c2)CN1 110353375 PQYORUHORFGIAW-JTQLQIEISA-N 270.292 0.947 0 50 CCAA COC(C)(C)C(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704280210 UUPZOUJVJGODIU-ZYHUDNBSSA-N 279.340 0.263 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1ncc(C)cn1 643823318 PHXDEPFGOFDOGB-ZDUSSCGKSA-N 264.329 0.251 0 50 CCAA COc1ccsc1S(=O)(=O)NCC(=O)O 261531115 FGNWXLQQEJUNTG-UHFFFAOYSA-N 251.285 0.120 0 50 CCAA Cc1cc(S(=O)(=O)NC[C@@](C)(O)C(=O)O)sc1C 263497382 RLNSBOOQDCHBII-SNVBAGLBSA-N 293.366 0.479 0 50 CCAA O=C(CN1CCN(c2ccccn2)CC1)NC1CC1 6730831 MPDAHZXKFRBMLB-UHFFFAOYSA-N 260.341 0.482 0 50 CCAA O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772703282 FGBPPVRPRKGHJS-BETUJISGSA-N 295.766 0.942 0 50 CCAA CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H]1CCCO1 247498771 DVNIACFASZKIDU-MNOVXSKESA-N 290.385 0.096 0 50 CCAA COC(=O)CNC(=O)c1cc2ccccc2oc1=O 17440527 NIZGGTYDRTZADN-UHFFFAOYSA-N 261.233 0.696 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2c1ncncc1Br 225576242 NETVCVMEFQRYIO-VXNVDRBHSA-N 297.156 0.954 0 50 CCAA Cc1ncc(C(=O)N2CCOC[C@H]2CC(=O)O)c(C)n1 263332435 VHDOLDWSGUBZFP-SNVBAGLBSA-N 279.296 0.409 0 50 CCAA CNC(=O)[C@@H]1CN(S(=O)(=O)C2CC2)c2ccccc2O1 263872003 ZHXIRTAMKXMVPA-LBPRGKRZSA-N 296.348 0.492 0 50 CCAA C[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[C@@H](C3CC3)O2)O[C@H]1C(=O)O 907866547 IXHFNNGKPULMEK-UUWLPUTASA-N 297.351 0.938 0 50 CCAA CCC(=O)N1CCN(C(=O)NC2COC(C)(C)OC2)C1 921951612 MJKJKGDOIDYLMU-UHFFFAOYSA-N 285.344 0.359 0 50 CCAA Cc1cnccc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 828193964 RTYHLBKZOAGKQN-QWHCGFSZSA-N 288.307 0.689 0 50 CCAA C=CC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 863971171 HPOYLMDDCUOROJ-UHFFFAOYSA-N 262.265 0.699 0 50 CCAA C[C@H]1c2cc(O)ccc2CCN1c1nc(=N)[nH]c(=N)[nH]1 1875268539 AZKFLAKZMHVXBR-ZETCQYMHSA-N 272.312 0.526 0 50 CCAA CC(C)(CO)NC(=O)c1cc(-c2ccncc2)[nH]n1 1875293426 PXXJZSXKJWFXSG-UHFFFAOYSA-N 260.297 0.972 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 1875367200 GXVKRVRKVGKMPV-OAHLLOKOSA-N 293.367 0.150 0 50 CCAA CC[C@@H](C[C@H](C)O)NC(=O)c1ncn(-c2ncccn2)n1 1875344601 MRYZNGDLYZNDEM-UWVGGRQHSA-N 290.327 0.337 0 50 CCAA O=C(NCC1OCCO1)N1CC[C@]2(C1)OC[C@@H]1C[C@@H]12 1875329441 WKIYVEATJNNIGB-OUJBWJOFSA-N 268.313 0.180 0 50 CCAA CN1CCC[C@H]1CCC(=O)N1Cc2nc(O)nc(O)c2C1 1875302570 WQSNEZXVTXXLGI-VIFPVBQESA-N 292.339 0.604 0 50 CCAA CC(=O)NC1CN(C(=O)[C@@H]2CCCO[C@H]2c2cn[nH]c2)C1 886088542 ZCYIQCBJSMKLNW-OLZOCXBDSA-N 292.339 0.224 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N=c2cc[nH]cc2O)C1=O 886075629 QTZLCBZFTMRYJJ-LBPRGKRZSA-N 293.323 0.175 0 50 CCAA CN(C)c1ccnc(C(=O)NC[C@@H]2CCC3(CNC3)O2)c1 888096562 JMNWGACZKAUBNL-LBPRGKRZSA-N 290.367 0.398 0 50 CCAA Cn1nnc2c1CC[C@@H](Nc1nccn3cncc13)C2 894432651 SRBNPUAQPWTVLN-SECBINFHSA-N 269.312 0.827 0 50 CCAA Cc1ccnc(N2CCN([C@@H](C)C(=O)N(C)C)CC2)c1 166110043 PLPATBVIUQMEEF-ZDUSSCGKSA-N 276.384 0.989 0 50 CCAA Cc1nccn1[C@H](C)C(=O)NC1(C(=O)O)CCC1 426739108 VOGYOIWEQQMNOJ-MRVPVSSYSA-N 251.286 0.876 0 50 CCAA O=C(N[C@@H]1CNC[C@H]1O)c1cccc(OC(F)F)c1 534667454 XZDIFDDVQAMPKZ-NXEZZACHSA-N 272.251 0.351 0 50 CCAA O=C(c1cccc2c1CCCC2)N1C[C@@H](CO)[C@@H](O)C1 333630356 BEVYUTXPMFWOMM-WFASDCNBSA-N 275.348 0.991 0 50 CCAA Cc1coc(C(=O)NCCn2cnc(C(=O)O)c2)c1 718475221 TVOZRLITOFCIBF-UHFFFAOYSA-N 263.253 0.913 0 50 CCAA Cc1[nH]c2ccc(C(=O)NC[C@H](N)CO)cc2c1C 386695331 UBRGCZXGKQGFQN-NSHDSACASA-N 261.325 0.834 0 50 CCAA C[C@H]1CN(C2CC2)CCN1C(=O)c1nnc2n1CCCC2 2100545218 KCSWUVCBZMMXRG-NSHDSACASA-N 289.383 0.923 0 50 CCAA O=C(O)C[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1O 1875246569 BVSYUSZELQVSDS-PSASIEDQSA-N 273.720 0.304 0 50 CCAA O=C(NC[C@H]1CNCCO1)c1n[nH]cc1-c1ccncc1 2325796428 PPPNNQHUFQYZQH-LLVKDONJSA-N 287.323 0.190 0 50 CCAA C[C@](Cn1cccn1)(NC(=O)C1CC=CC1)C(N)=O 889645700 YXLLXGXHFMIPEF-CYBMUJFWSA-N 262.313 0.210 0 50 CCAA Cc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1 308468 NNVCVTFWTKYKEO-UHFFFAOYSA-N 298.364 0.132 0 50 CCAA CC(C)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O 4787349 IEHDJWSAXBGJIP-NWDGAFQWSA-N 264.325 0.782 0 50 CCAA endogenous,in-man Cc1nccn1CCC(=O)N1[C@H]2CC[C@@H]1CC(=O)NC2 65381517 ZRDPKECXZBJIBH-NEPJUHHUSA-N 276.340 0.461 0 50 CCAA COc1cccc(OC)c1OCCOCCNCCN 22079141 XGDDXOYKGVJEGX-UHFFFAOYSA-N 284.356 0.648 0 50 CCAA CNC(=O)[C@@H]1C[C@H](n2cc(CC(C)C)nn2)CN1 67847030 CYBKYBFFDRHZEL-QWRGUYRKSA-N 251.334 0.126 0 50 CCAA CS[C@@H](C)C(=O)Nc1ccn([C@H]2CCNC2)n1 328621975 IDFLADOOTIUTRC-IUCAKERBSA-N 254.359 1.108 0 50 CCAA COCC(=O)N1CCCN(C(=O)Cc2ccncc2)CC1 218831559 XLPCADPXKSYEAH-UHFFFAOYSA-N 291.351 0.331 0 50 CCAA CC(C)NS(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O 361064814 CLJRRGTVHAPOIG-LBPRGKRZSA-N 297.380 0.141 0 50 CCAA COC1CCN(C(=O)[C@@H]2CCCN2C2CCNCC2)CC1 38043091 WFIJLQCROUTISY-HNNXBMFYSA-N 295.427 0.840 0 50 CCAA CC1(C)[C@H]2CN(C(=O)CN3CSCC3=O)C[C@@H]21 174099469 KUWXOBDUBVZJGN-IUCAKERBSA-N 254.355 0.634 0 50 CCAA Nc1cc(CN2CCC[C@@](O)(Cn3ccnn3)C2)ccn1 284558951 MCJCEEAAUCTACG-AWEZNQCLSA-N 288.355 0.282 0 50 CCAA C[C@@H]1CCCC[C@H]1OCC(=O)N1CCO[C@H](C(=O)O)C1 262933627 GPPWLIZOOPKDLG-UTUOFQBUSA-N 285.340 0.894 0 50 CCAA Nc1nc(NC[C@@H]2CCCO2)cc(C2CC(N)C2)n1 222727748 CCZSJNRMFLYKPK-RTBKNWGFSA-N 263.345 0.854 0 50 CCAA CN(Cc1n[nH]c2c1CCC2)C(=O)CN1CCN(C)C1=O 426547745 ZUDOMEACDQVTOY-UHFFFAOYSA-N 291.355 0.224 0 50 CCAA CCn1nncc1C(=O)N1CCNC(=O)[C@H]1CC(C)C 294827730 GUXHJMSSGAAQDC-SNVBAGLBSA-N 279.344 0.285 0 50 CCAA CCOc1ncccc1[C@H](C(=O)O)N1CCOCC1 95371549 BSLQTXUGDKSUSC-LLVKDONJSA-N 266.297 0.938 0 50 CCAA O=C(O)c1cncnc1N1CCN(c2cnccn2)CC1 95359846 RSHJLMWVWZJGLB-UHFFFAOYSA-N 286.295 0.291 0 50 CCAA C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O 145288131 KMZBGEVCOYIAFI-JCOFBHIZSA-N 287.319 0.074 0 50 CCAA Cn1nccc1CCN1C[C@@]2(CCOC2)CCC1=O 91426722 BKFUOMCADIEMSY-AWEZNQCLSA-N 263.341 0.992 0 50 CCAA Cc1ccc(F)cc1C(=O)NC[C@@]1(O)CCNC1 97910595 XJKOOQUMDMGPPZ-CYBMUJFWSA-N 252.289 0.588 0 50 CCAA CN(C(=O)Cn1cnc2cnccc2c1=O)C1CC1 162873986 GLDZSFBRUKUEKC-UHFFFAOYSA-N 258.281 0.412 0 50 CCAA CN(C)CCN1CCN(c2ccc(Cl)cn2)C[C@H](O)C1 97346730 HPYMKGYGPYQAHG-CYBMUJFWSA-N 298.818 0.780 0 50 CCAA O=C(COC[C@@H]1CCCO1)NCCc1nccs1 240971677 UAXFLTMWNHMEIC-JTQLQIEISA-N 270.354 0.997 0 50 CCAA COC(=O)[C@H]1C[C@@H]2C[C@H](C[C@@H](C(=O)OC)C2=O)C1=O 245241730 NVJWINZXUQDIDN-SPJNRGJMSA-N 268.265 0.133 0 50 CCAA biogenic CO[C@@H]1CN(C(=O)c2ccc(C)n2C)C[C@H]1c1cnn[nH]1 622170132 MVSXGSVSJZYJCV-GXFFZTMASA-N 289.339 0.706 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 299744104 QYNCNMTUPDWINK-UWVGGRQHSA-N 257.286 0.115 0 50 CCAA CCCc1nnsc1C(=O)N[C@@H]1CCCNC1=O 534663985 PFZYLEPUWKUEMG-MRVPVSSYSA-N 268.342 0.499 0 50 CCAA Cc1cc(N2CCCN(C(=O)[C@H]3C=CCN3)CC2)ccn1 534654398 KBJDGXKQSFPECC-OAHLLOKOSA-N 286.379 0.957 0 50 CCAA COc1cccc(C)c1C(=O)N[C@H]1CCN(C)C1=O 824792384 BBHTZMORRVJQCL-JTQLQIEISA-N 262.309 0.964 0 50 CCAA CC(C)c1nc(CN(C)C(=O)Cn2[nH]nnc2=N)cs1 952968971 IWXWVBVYWGJUQL-UHFFFAOYSA-N 295.372 0.324 0 50 CCAA COCC1(O)CCN(C(=O)[C@@H]2O[C@H](C)C[C@H]2C)CC1 407967214 RIPRLNZNXLQEAN-IJLUTSLNSA-N 271.357 0.800 0 50 CCAA NC(=O)[C@@H]1CCC[C@@H](C(=O)NS(=O)(=O)C2CCC2)C1 408480518 CXBVOHRBEKGIJE-RKDXNWHRSA-N 288.369 0.277 0 50 CCAA CCc1c(C)nn(CC(=O)N[C@H]2COCC[C@@H]2O)c1C 1565526478 FBOSBKJKIUBTKQ-STQMWFEESA-N 281.356 0.328 0 50 CCAA Cc1ncsc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N(C)C 1565513613 IJKTZQMXMLAIOG-VLEAKVRGSA-N 281.381 0.899 0 50 CCAA O=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1cncnc1 273713623 LBXKOYSYIMDQFD-LBPRGKRZSA-N 290.367 0.707 0 50 CCAA Cn1nccc1S(=O)(=O)NC[C@@H]1CCc2nccn2C1 275245082 FWXKBMYSAXVDCJ-JTQLQIEISA-N 295.368 0.158 0 50 CCAA CC1(C)[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)O)[C@H]2CCO[C@H]21 647736868 PBRAODFXHDLRMZ-VVULQXIFSA-N 253.298 0.637 0 50 CCAA CC(C)(O)[C@@H](O)CN1CCC[C@H](C(=O)NC2CC2)C1 1647651423 CNNRUSXOVWJEGR-JQWIXIFHSA-N 270.373 0.109 0 50 CCAA Cn1cc(CNC(=O)[C@@H]2NCC[C@@H]3CCCC[C@@H]32)nn1 1650364713 LXTZBGRDHKRELP-WCFLWFBJSA-N 277.372 0.600 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1O 1857708573 AWAPGWIOPXFAEK-CHWSQXEVSA-N 293.319 0.497 0 50 CCAA CCc1nccn1C[C@H](C)NCCN(C)S(C)(=O)=O 1506399079 YLDAAGXNIOIZLL-NSHDSACASA-N 288.417 0.315 0 50 CCAA O=C1N[C@H]2C[C@@H]1N(C(=O)COc1cccc(Cl)c1)C2 1857667280 YOVBZFDODYOEOY-ONGXEEELSA-N 280.711 0.818 0 50 CCAA Cc1nc(C)c(C(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)o1 1857668567 LFNNZJDYXVZGPQ-GRYCIOLGSA-N 280.324 0.903 0 50 CCAA CCC[C@]1(C(=O)O)CCN(Cc2cncnc2)C[C@H]1O 1704313491 QGMRGIUOWPZFLZ-OCCSQVGLSA-N 279.340 0.914 0 50 CCAA CCCCNC(=O)N1CCN(S(C)(=O)=O)CC1 13323767 OUIWHCCYUOHWMW-UHFFFAOYSA-N 263.363 0.073 0 50 CCAA COCCNC(=O)C(=O)NCCC1=CCCCC1 2991449 QVEZNVPUMOWCBL-UHFFFAOYSA-N 254.330 0.756 0 50 CCAA CNC[C@H](C)C(=O)N1CCC(c2ccnn2C)CC1 237295853 BWTCNYOMPYWGCA-NSHDSACASA-N 264.373 0.982 0 50 CCAA Cc1nsc(C)c1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)O 1875291921 QAIOYVAQLJACLT-QMMMGPOBSA-N 297.336 0.127 0 50 CCAA C[C@@H](C(=O)O)C(=O)N1CCN(c2ccccc2O)CC1 229334589 ZQWBNJZWSWYOJX-SNVBAGLBSA-N 278.308 0.762 0 50 CCAA COc1nccnc1N1CCC[C@@](CO)(CN(C)C)C1 1772712942 WEBAMTPLLUUOKE-CQSZACIVSA-N 280.372 0.626 0 50 CCAA CSCCC(=O)N1C[C@H]2CNC[C@@]2(CN(C)C)C1 1772700722 DRIUBIRRNFBNGF-DGCLKSJQSA-N 271.430 0.349 0 50 CCAA O=C(c1cnc(O)[nH]1)N1CCC[C@@H](C2(O)CC2)C1 1772808310 MNJKLEMNVKRQCX-MRVPVSSYSA-N 251.286 0.492 0 50 CCAA CC1CCC(NC(=O)[C@H](C)N2C[C@@H](O)[C@H](O)C2)CC1 408442490 LOAPEUQGLNUJBR-BEZKJRAVSA-N 270.373 0.107 0 50 CCAA C[C@@H]1CN(C)C[C@H](c2nc(-c3ccncn3)no2)O1 527545128 PBULOLVDNJMWIU-PSASIEDQSA-N 261.285 0.918 0 50 CCAA O=C(c1ccc(-n2ccnn2)cc1)N1CCC[C@H]1CO 133369138 VJFCDVJYPVFXMG-ZDUSSCGKSA-N 272.308 0.864 0 50 CCAA CN(C[C@H](O)CN1CCOCC1)c1ccc(F)cn1 252507614 WPOYDMDQNWXQQI-LBPRGKRZSA-N 269.320 0.350 0 50 CCAA COc1cccc(OCc2nc(CCN)cc(=O)[nH]2)c1 23339828 VXIPPTCIKLLLEG-UHFFFAOYSA-N 275.308 0.859 0 50 CCAA CC(=O)N1CCO[C@H](C(=O)N2CCCc3ncccc32)C1 929690307 JDPRJFODQUWKJD-AWEZNQCLSA-N 289.335 0.608 0 50 CCAA C[C@H]1CN(Cc2nnn(C)n2)CCN1c1ccccc1 934321886 HYNAGEBWYQZKGB-LBPRGKRZSA-N 272.356 0.921 0 50 CCAA Cn1ncc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1O 1857781053 LJDHPOCMKSMNJE-QMMMGPOBSA-N 285.300 0.646 0 50 CCAA Cc1cc(CCC(=O)N2CCC[C@H]2C(=O)O)on1 1875277610 UIPRAQMWVKDJRL-JTQLQIEISA-N 252.270 0.991 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CC[C@H](c3cc[nH]n3)C2)C1 1875387040 KYTNFUWZEHTFCT-JTQLQIEISA-N 274.324 0.370 0 50 CCAA O=C(NCc1cccc2cccnc12)[C@@H]1C[C@H](O)CN1 127661968 SOJJTSPJXJJTFX-STQMWFEESA-N 271.320 0.574 0 50 CCAA CC(C)C[C@@H]1CN(C)CCN1C(=O)CCc1nn[nH]n1 886599534 AQIXEIIXNZFFLL-LLVKDONJSA-N 280.376 0.321 0 50 CCAA O=C1CN(CC[C@H](N2CCOCC2)C(F)(F)F)CCN1 1775999387 QJCFTZIVFDISER-JTQLQIEISA-N 295.305 0.071 0 50 CCAA CN(C)C[C@H](O)CNC1CSCCSC1 534592218 RNWHFUANTBYPJV-SNVBAGLBSA-N 250.433 0.347 0 50 CCAA CN(C[C@H]1CCS(=O)(=O)C1)C[C@@](C)(O)C(F)(F)F 407952855 ANWNZZGZABNXHX-RKDXNWHRSA-N 289.319 0.666 0 50 CCAA O=C(c1ccc2cncn2c1)N1CC(O)(C2CC2)C1 329110326 QFVRUVGRQXPYPL-UHFFFAOYSA-N 257.293 0.931 0 50 CCAA N[C@@H]1C=C[C@H](CC(=O)N2CCNC(=O)[C@H]2c2ccccc2)C1 2325797523 BWFPOCAMBRZKQT-JGGQBBKZSA-N 299.374 0.980 0 50 CCAA COC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2F)[C@H]1C 2325839102 IWPQTLZWBDIVPZ-LREJFELKSA-N 298.358 0.733 0 50 CCAA O=C(N[C@H](CO)[C@@H](O)c1ccccn1)[C@H](O)C1CCCC1 2325850286 SZZLZLMVVXLFFL-MCIONIFRSA-N 294.351 0.143 0 50 CCAA O=C(c1ccccc1N1C(=O)C=CC1=O)N1CCOCC1 462465 ILYKXHIOKXTNHS-UHFFFAOYSA-N 286.287 0.588 0 50 CCAA Cc1ccccc1CNC(=O)CN1C[C@H](O)C[C@@H](O)C1 2356164704 CZMBQQMFVBDIGZ-ZIAGYGMSSA-N 278.352 0.039 0 50 CCAA COCCNC(=O)C(=O)N[C@H](C)c1ccccc1 2899639 ZTGHIIIPMGBLDI-SNVBAGLBSA-N 250.298 0.626 0 50 CCAA O=C(O)CCSc1nc(O)nc2[nH]c(O)nc12 6620309 YHVRCZUMYJDXNB-UHFFFAOYSA-N 256.243 0.331 0 50 CCAA Cc1nc(N2C[C@H](CO)OC[C@H]2C)ccc1C(=O)O 228083937 RFQNNENRUQSIQG-PSASIEDQSA-N 266.297 0.674 0 50 CCAA O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1C[C@H](O)c1ccccc1 101753874 FREIRFWNHZCLAZ-MQLXINIDSA-N 285.299 0.658 0 50 CCAA COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 26898611 HBWUTYLVFYVXML-QMMMGPOBSA-N 257.286 0.986 0 50 CCAA COc1cc2c(=O)[nH]c(=O)[nH]c2c(OC)c1OC 38171357 QNACMQOICPJEOM-UHFFFAOYSA-N 252.226 0.242 0 50 CCAA Cc1cc(C(=O)N2CC[C@@](O)(CN(C)C)C2)cc(C)n1 215461424 LSBGORGHSDJGJD-OAHLLOKOSA-N 277.368 0.837 0 50 CCAA CCn1c(CC2CCN(Cc3ncc[nH]3)CC2)n[nH]c1=O 71754600 ZSWBJIWEOLRGFG-UHFFFAOYSA-N 290.371 0.769 0 50 CCAA COC(=O)C1(C(=O)N2CCC[C@@H](CCN)C2)CC1 71419241 WOPQAMSNZQELMO-JTQLQIEISA-N 254.330 0.527 0 50 CCAA COC1(CC(=O)N2CCOC[C@@H]2CC(=O)O)CCC1 234579337 CKTBPFGKOUBTMA-JTQLQIEISA-N 271.313 0.648 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)[C@H]1CCCCO1 128263358 QIFVNFMVKSQTNF-NXEZZACHSA-N 257.286 0.258 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2cccc3ccnn23)C[C@H]1O 72470785 DTRACDCAYJWPNG-UKRRQHHQSA-N 289.335 0.682 0 50 CCAA O=C(CN1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1)Nc1nccs1 333075750 KVORYECEILJJLR-UKKRHICBSA-N 277.349 0.967 0 50 CCAA O[C@H](CN1CC[C@@H](O)C12CCCC2)Cn1cccn1 333465641 QJIQIFNTUUUSFF-CHWSQXEVSA-N 265.357 0.623 0 50 CCAA CN1CC[C@@H](NC(=O)c2ncccc2F)CC1=O 613829978 MDFDVQWLQMCUGL-MRVPVSSYSA-N 251.261 0.571 0 50 CCAA CN1CC[C@@H](C(=O)N2CC[C@](C)(C(=O)O)C2)CC1=O 178260886 VXJDBSWIZRJFOS-RNCFNFMXSA-N 268.313 0.178 0 50 CCAA CCN(CC)C(=O)C1CCN(C(=O)Cn2ccnn2)CC1 426497287 PZRIQMIWHDYDFO-UHFFFAOYSA-N 293.371 0.385 0 50 CCAA O=C(CN1CCC[C@H](O)C1)N1CCC(c2ncon2)CC1 426434185 ZKQGGSCBVAFVQK-LBPRGKRZSA-N 294.355 0.232 0 50 CCAA O=C(NCCc1noc(CO)n1)c1ccc2nccn2c1 91858967 WXKWEHKWWKFEMM-UHFFFAOYSA-N 287.279 0.182 0 50 CCAA O=C1CC[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)N1 97527984 YDDYAANQDHJVOT-LLVKDONJSA-N 291.307 0.039 0 50 CCAA CC(=O)NC(C)(C)C(=O)N[C@H](C)Cc1cnccn1 426634119 XTTVHICYENVWFU-SECBINFHSA-N 264.329 0.439 0 50 CCAA CC(=O)N[C@@H](CC(C)C)c1nc(C)nn1CC(=O)O 96130504 FPRCXWXGIACJHX-JTQLQIEISA-N 268.317 0.894 0 50 CCAA CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H]2OCCCN2C(=O)[C@H]13 239038612 DNPZPPHKBCNQCS-ABPHAOMWSA-N 279.292 0.078 0 50 CCAA CN(CCn1cc[nH]c1=O)Cc1cccc(-c2nnn[nH]2)c1 243957108 CFUMOGMHFGSUCM-UHFFFAOYSA-N 299.338 0.489 0 50 CCAA COc1ccc(CN2CCC([C@H](O)C(N)=O)CC2)cc1 299742669 IFDJGDKETGNOEL-AWEZNQCLSA-N 278.352 0.753 0 50 CCAA C[C@H](NC(N)=O)C(=O)Nc1ncn(C2CCCCC2)n1 182721391 HBNBDQZMXOZVMF-QMMMGPOBSA-N 280.332 0.779 0 50 CCAA COCCN(CC(=O)O)C(=O)C[C@H]1CCCOC1 534669746 XRNUQAMTTNSGOC-SNVBAGLBSA-N 259.302 0.363 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 261361184 YCYQIUUXRYFEQD-VLEAKVRGSA-N 257.330 0.985 0 50 CCAA O=C(c1cnn[nH]1)N1CCCN(Cc2ccncc2)CC1 299802687 VSNDLQKDERVDJG-UHFFFAOYSA-N 286.339 0.548 0 50 CCAA CC(C)(CO)NC(=O)C1(S(=O)(=O)c2ccccc2)CC1 299769362 WZFDQXHXJSMZJV-UHFFFAOYSA-N 297.376 0.880 0 50 CCAA CCN(CCC(=O)NC1CC1)Cc1noc(C)n1 299784307 IHPVWAOWGJXHMC-UHFFFAOYSA-N 252.318 0.869 0 50 CCAA CS(=O)(=O)c1cnc(O)n(-c2ccccc2)c1=N 826819025 ROJZMQADROBNPM-UHFFFAOYSA-N 265.294 0.461 0 50 CCAA O=C(NCCCN1CCCC[C@@H]1CO)c1cncc(O)c1 584900078 MCGWPYZYAMONMB-CYBMUJFWSA-N 293.367 0.754 0 50 CCAA CN(CC1(C)COC1)C(=O)CNC(=O)c1ccccc1 584901863 CKZMYEGHXCDYFZ-UHFFFAOYSA-N 276.336 0.911 0 50 CCAA CCn1nc(CO)c2c1CCN([C@H]1CCCOC1)C2 584893611 MYOJCODXPROJQB-NSHDSACASA-N 265.357 0.932 0 50 CCAA Cc1nc(N2CCCNC(=O)C2)nc2c1CCCC2 670440586 SRRAPNHGMNYKHJ-UHFFFAOYSA-N 260.341 0.990 0 50 CCAA CC(C)(O)Cn1nc(CC(N)=O)nc1C1CC=CC1 952873704 NDLRLYZIPAOLCP-UHFFFAOYSA-N 264.329 0.510 0 50 CCAA CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CC(O)C1 268403566 GPKKITJTPPRBBC-NSHDSACASA-N 282.365 0.706 0 50 CCAA CN1CCCC[C@@H](C(=O)N2CC(OC(F)F)C2)C1=O 635830447 ODSPCUORFFOBOV-SECBINFHSA-N 276.283 0.695 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccn(C)c1 643949630 RCXWMKGABAEFFO-CQSZACIVSA-N 279.340 0.392 0 50 CCAA CO[C@@H](C)CS(=O)(=O)N(CCO)c1cccc(F)c1 193337980 PFSUGXHFQLMCRY-JTQLQIEISA-N 291.344 0.989 0 50 CCAA COc1ccc(S(=O)(=O)N2C[C@H]3C[C@]3(C(=O)O)C2)cn1 570805561 LEQJMTATUPBLRT-PELKAZGASA-N 298.320 0.185 0 50 CCAA O[C@H]1CN(Cc2ccncc2)C[C@@H]1Cc1cnccn1 1615738944 BWKOZNBTQVYZRP-ZFWWWQNUSA-N 270.336 0.907 0 50 CCAA CC(C)CC(=O)N1CCN(c2nccnc2C(=O)O)CC1 1506417029 JYHAVWLKKYWONQ-UHFFFAOYSA-N 292.339 0.870 0 50 CCAA N[C@H]1CC[C@@H](C(=O)NCc2nnnn2-c2ccccc2)C1 215337697 PUNZPPWLAADTEN-MNOVXSKESA-N 286.339 0.406 0 50 CCAA Cc1ncc(CN(CCO)C(=O)c2c(C)ncnc2C)[nH]1 1772702212 QKFZSVNCJXWOCO-UHFFFAOYSA-N 289.339 0.760 0 50 CCAA CSc1ncc(C(=O)NCCN2CCCC2=O)cn1 19574095 MZQRKZMCSXXPHS-UHFFFAOYSA-N 280.353 0.551 0 50 CCAA Cc1nn(C)cc1CNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 169298941 YACKRCOHVOEAOY-KKOKHZNYSA-N 293.323 0.223 0 50 CCAA Cc1cc(CC(=O)N2CCN3CCOC[C@@H]3C2)cc(C)n1 1857688543 OSNGAROOCICNLJ-HNNXBMFYSA-N 289.379 0.784 0 50 CCAA Cc1cccnc1CNC(=O)[C@]1(C)CCCNC1=O 335807153 KRVHPKGKGUEMHN-CQSZACIVSA-N 261.325 0.923 0 50 CCAA C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O 1678290 CCIBGDNXMPNUHL-VIFPVBQESA-N 280.280 0.502 0 50 CCAA in-vitro NC(=O)[C@H]1C[C@H](NC(=O)N2CCC[C@H](CC(=O)O)C2)C1 626777387 MGVASAGCKNMTAF-OPRDCNLKSA-N 283.328 0.147 0 50 CCAA CCc1cc(N2CC[C@@](O)(Cn3ccnn3)C2)nc(C)n1 671466889 RTSAZXBJGRKMQR-AWEZNQCLSA-N 288.355 0.580 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)c1cccc(-n2cnnn2)c1 262178031 WESUCGBUQWCYOH-NSHDSACASA-N 287.279 0.352 0 50 CCAA COC(=O)CCNC(=O)[C@]1(c2ccccc2)C[C@H](O)C1 585129326 FWGKACDRUVCSOH-JNSHFYNHSA-N 277.320 0.758 0 50 CCAA O=C(O)C(=O)N1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 396663521 PJXOPPGKBSGXFV-SDDRHHMPSA-N 294.351 0.568 0 50 CCAA COCC1(S(=O)(=O)N[C@]23CCC[C@H]2CNC3)CC1 903609965 UEXMRORGSRUGGV-JQWIXIFHSA-N 274.386 0.227 0 50 CCAA O=C(O)[C@@H]1CO[C@H](CCC(=O)N2C[C@@H]3C[C@H]2CS3)C1 911459359 ULUSHEIGEQBUQH-MMWGEVLESA-N 285.365 0.973 0 50 CCAA Cc1cnc2nc(C(=O)N3CCOCC[C@H]3C)nn2c1 831697512 MWDHNKAPAMYACZ-SNVBAGLBSA-N 275.312 0.684 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)O)O[C@H]2C1 1857783885 ITDXNVAQVFVJRQ-CIUDSAMLSA-N 273.285 0.474 0 50 CCAA O=C(O)Cn1c(S(=O)(=O)O)nc2ccccc21 1857782699 UNHNKZFWBANEOP-UHFFFAOYSA-N 256.239 0.368 0 50 CCAA O=C(Cc1ccc(O)c(F)c1)NCc1nc[nH]n1 1144632015 BJDFGMWCSNTIDJ-UHFFFAOYSA-N 250.233 0.508 0 50 CCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccncc1)C2 952850262 KGILUQRRBJIEFN-RISCZKNCSA-N 275.308 0.046 0 50 CCAA Cc1ccc(F)c2[nH]c(C(=O)N3C[C@@H](N)[C@H](N)C3)cc12 1875270182 IJTLPRZDTMHLLE-GHMZBOCLSA-N 276.315 0.726 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@H](O)c1cccc(OC)c1 1875273137 AVPIASRGKXVIBG-LVDDQXARSA-N 279.292 0.574 0 50 CCAA Cn1ncc(CN[C@H]2CC=CCC2)c1S(N)(=O)=O 1875284784 MGVYVBCXVBDQEU-JTQLQIEISA-N 270.358 0.266 0 50 CCAA CO[C@@H]1CCNC[C@@H]1C(=O)NC[C@H](N)c1ccc(C)cc1 1875315741 GEDGNRZCKOOAQJ-SOUVJXGZSA-N 291.395 0.736 0 50 CCAA CN(C)C/C=C/C(=O)NCc1c(O)nnc2c1CCCC2 1875377186 VEPDONXHXQCBKW-VMPITWQZSA-N 290.367 0.795 0 50 CCAA C[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)CO1 1875311297 SVXXCJCNJKMJSC-XSOQRLTHSA-N 253.298 0.637 0 50 CCAA CNC(=O)[C@H](O)CNc1ccc2ccc(OC)cc2n1 893477832 AYBDVCAGLZIZRY-GFCCVEGCSA-N 275.308 0.762 0 50 CCAA Cn1cc([C@@H]2N(c3nccn4nnnc34)CC2(C)C)cn1 1775960230 ABTIPCSNFQVEDV-JTQLQIEISA-N 284.327 0.840 0 50 CCAA CCN(C(=O)N1C[C@@H](N)[C@H](c2cn(C)cn2)C1)C(C)C 1775962613 WEHRZSAPEIEWDN-VXGBXAGGSA-N 279.388 0.997 0 50 CCAA Cc1nnc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)s1 169690107 NQNCLYCHYSUUSL-WCTZXXKLSA-N 281.293 0.439 0 50 CCAA CO[C@@H]1C[C@@H](NCC(=O)N2CCOCC2)C12CCC2 308390248 IVYBWYRSCSOSGL-VXGBXAGGSA-N 268.357 0.392 0 50 CCAA O=C(COC[C@@H]1CCCCO1)NC1CCNCC1 534663422 FQDHRYOAMAEEPS-LBPRGKRZSA-N 256.346 0.440 0 50 CCAA COC(=O)c1cncnc1NCc1nn(C)cc1C 723509177 WSTIGLQDWNZWNT-UHFFFAOYSA-N 261.285 0.917 0 50 CCAA Cc1ccccc1OCC(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 2100544608 BCFFGFSBPLCAHA-YIKOMLBNSA-N 293.319 0.017 0 50 CCAA S=C(NC[C@@H]1CCCO1)N1CCC2(CC1)OCCO2 609497 UUAAFMUSNUYFAX-NSHDSACASA-N 286.397 0.879 0 50 CCAA CCOC(=O)C1=C(N)CC(C(=O)OCC)=C(N)C1 20413499 AEBVCXSXMAJGRT-UHFFFAOYSA-N 254.286 0.332 0 50 CCAA Cc1ncc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)c(C)n1 329200094 BFUOUHWIEFJNHA-QWHCGFSZSA-N 276.340 0.248 0 50 CCAA O=C1CCN(C(=O)c2ccc(-c3ncon3)cc2)CCN1 171742923 QUUJZHQUUVNXOQ-UHFFFAOYSA-N 286.291 0.699 0 50 CCAA Cc1n[nH]c(C)c1[C@H](N)C(=O)N1CCc2nc[nH]c2C1 216125783 MYJRWJBQPHMNOQ-LBPRGKRZSA-N 274.328 0.334 0 50 CCAA O=C1NC2(CCNCC2)C(=O)N1C1Cc2ccccc2C1 77286337 ZAIDUIICLPLPES-UHFFFAOYSA-N 285.347 0.828 0 50 CCAA Cc1c(C(=O)N[C@H](Cc2ccccc2)C(N)=O)cnn1C 262568682 MJVDNTYSBMKMLZ-CYBMUJFWSA-N 286.335 0.555 0 50 CCAA Cc1noc(C)c1CCC(=O)N1CCC[C@@](O)(CO)CC1 72159161 ASXPFVOGINBSDA-HNNXBMFYSA-N 296.367 0.960 0 50 CCAA CC[C@H](Cn1cncn1)N[C@H]1CCO[C@@]2(CCOC2)C1 329511046 KITSSPPORRRXEF-RDBSUJKOSA-N 280.372 0.984 0 50 CCAA CO[C@]1(C(=O)N2CC[C@H](c3nccn3C)C2)CCOC1 329944791 FLNIOSRPCBKFEB-SMDDNHRTSA-N 279.340 0.542 0 50 CCAA CNS(=O)(=O)CCCn1nc(C(F)(F)F)ccc1=O 330459413 UCANDOONTJQBMQ-UHFFFAOYSA-N 299.274 0.201 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O 331736043 AZRPZMWIPCZFMK-VPOLOUISSA-N 277.386 0.691 0 50 CCAA CC[C@@H](NS(=O)(=O)N1CCC1)[C@H](O)C(C)C 332029117 JHWUZKLUTRMFMB-NXEZZACHSA-N 250.364 0.322 0 50 CCAA Cc1cnc(Cn2cc(S(=O)(=O)N(C)C)cn2)o1 332602771 BDZDBUOXEKNSRV-UHFFFAOYSA-N 270.314 0.478 0 50 CCAA CCO[C@H]1CN(C(=O)CN(C)Cc2ccccn2)C[C@@H]1O 219739237 JXIHIWPTXLSSTQ-KBPBESRZSA-N 293.367 0.122 0 50 CCAA CCc1ncnc(N2CC[C@](O)(c3c[nH]nn3)C2)c1F 284661409 WAQAXYWNJYMVQQ-GFCCVEGCSA-N 278.291 0.394 0 50 CCAA CO[C@@H]1COC[C@@H]1NC(=O)NCc1noc2c1CCCC2 334072138 HNACUJZKHVXOKX-WCQYABFASA-N 295.339 0.766 0 50 CCAA Nc1nc(NCC2(CO)CC2)cc(C2CC(N)C2)n1 220714117 FAWZXIWXUMULHE-UHFFFAOYSA-N 263.345 0.448 0 50 CCAA NC1=NC(=O)[C@@](Cl)(Cc2ccc(C(=O)O)cc2)C(O)=N1 43190779 IJGKJHPBILGGSI-UHFFFAOYSA-N 295.682 0.716 0 50 CCAA CC(C)N1C[C@H](CNC(=O)c2ccc(O)cn2)CC1=O 221335460 UCCMENWPQXRXBW-JTQLQIEISA-N 277.324 0.774 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)c2nc[nH]c3nccc2-3)[C@@H]1OC 613514099 PNSCRBYGKGJGHM-FOGDFJRCSA-N 290.323 0.832 0 50 CCAA Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ncnn1C 290415065 FWGNCLMPWRYHAF-UHFFFAOYSA-N 288.233 0.978 0 50 CCAA O=C(O)CCC(=O)NC[C@@H](CO)Cc1ccco1 516650263 PLTUQKSNZYOQLP-VIFPVBQESA-N 255.270 0.412 0 50 CCAA CCC[C@]1(CO)CCCN(CC(=O)N2CCOCC2)C1 92028016 RQSGFQKHEALYFQ-HNNXBMFYSA-N 284.400 0.720 0 50 CCAA COCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2OC)C1 91907088 KSDKHNONJQIAPO-NWDGAFQWSA-N 293.319 0.968 0 50 CCAA Cc1ncnc(N2CC[C@@]3(CC(=O)NC3=O)C2)c1C 95365269 KBBWONUVIGEUGE-CYBMUJFWSA-N 260.297 0.336 0 50 CCAA Cc1ccn(CCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)n1 240128335 IPZNWRPXYOCFQO-IAZYJMLFSA-N 263.297 0.371 0 50 CCAA COC1=CC=C[C@@]23[C@@H]4[C@H]5[C@H]6[C@H]5[C@H]2n2c(=O)n(C)c(=O)n2[C@@H]6[C@]143 248016576 GMXXBVQRVHKNTC-LGCRNRLESA-N 297.314 0.036 0 50 CCAA CN(C)[C@H](CNC(=O)[C@H]1C[C@H](O)CN1)c1ccc(F)cc1 299750574 NYJVUNQXWJTULM-BFHYXJOUSA-N 295.358 0.267 0 50 CCAA COCc1ccc(C(=O)NCc2noc(C(N)=O)n2)s1 534667850 ZKNLEKYKOATKIA-UHFFFAOYSA-N 296.308 0.306 0 50 CCAA C[C@@H]1O[C@H](Nc2ccc(Cl)cc2)[C@H](O)[C@H](O)[C@H]1O 584904327 QENQZHRGYAQHKK-UOAXWKJLSA-N 273.716 0.579 0 50 CCAA Cc1cc(O)nc(CCNC(=O)[C@H](C)Cn2cccn2)n1 584888934 KHEZYFLVEQKZEX-SNVBAGLBSA-N 289.339 0.682 0 50 CCAA O=C(CCn1cnnn1)N[C@H]1COc2ccccc2C1 670445428 WCPKGAVVDKFCNU-LLVKDONJSA-N 273.296 0.183 0 50 CCAA O=C(NCc1ncccn1)c1c[nH]nc1[C@H]1CCCCN1 685941184 ADBKCZQTWWAKDK-LLVKDONJSA-N 286.339 0.944 0 50 CCAA CN(CCN1CCOCC1)C(=O)Cn1cccc1 952983912 SDXOGYXSVZRIQM-UHFFFAOYSA-N 251.330 0.279 0 50 CCAA O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@@H]1C[C@@H](O)CN1 269228458 NQMGKKADPNMCKE-WOPDTQHZSA-N 284.743 0.212 0 50 CCAA CCCn1nccc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2C 75985038 AEVKOAMQNPHYKO-NEPJUHHUSA-N 290.367 0.986 0 50 CCAA Cc1cnc(N2CCCN(CCO)CC2)nc1C 133507424 ARQDNKXDQMUMAC-UHFFFAOYSA-N 250.346 0.598 0 50 CCAA CCn1cncc1CN1CCOC[C@H]1CC(=O)O 97742839 ILDXEUBHEFHQGP-SNVBAGLBSA-N 253.302 0.579 0 50 CCAA C[C@H](O)[C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 408162257 VCELJRHDWQPXNM-WDEREUQCSA-N 254.330 0.228 0 50 CCAA CCc1noc(CC)c1CNC(=O)[C@H]1C[C@H](OC)CN1 187877572 OMLNAAYIMJQMIC-JOYOIKCWSA-N 281.356 0.793 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)CO)[C@@H]1Oc1ccccc1 189143504 WDCWBZRZTVPWLS-BZPMIXESSA-N 265.309 0.720 0 50 CCAA Cc1csc2c(=O)n(Cc3nnn(C)n3)cnc12 194430474 DNZPGRFJQRFILW-UHFFFAOYSA-N 262.298 0.338 0 50 CCAA Cc1cn(C)nc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 572975962 HLHWFAJDBMAZGX-NSHDSACASA-N 295.339 0.586 0 50 CCAA O=C(O)c1ccnc(NCCN2CC[C@@H](O)C2)c1 1606533790 DTCYGYPJEXWLKN-SNVBAGLBSA-N 251.286 0.258 0 50 CCAA Cc1nc(C)n(CCCNC(=O)CCc2cn[nH]c2)n1 1506418406 XVIPMIWQISFDAS-UHFFFAOYSA-N 276.344 0.757 0 50 CCAA CCN1C[C@@H](C(=O)Nc2nonc2NC(C)=O)CCC1=O 1529172883 SETYWPRIHXVAGL-QMMMGPOBSA-N 295.299 0.225 0 50 CCAA CC(C)C(=O)NCC(=O)N1CCC[C@@]2(CCC[C@H]2O)C1 1704337870 GIJCTXFBOHIJJN-DOMZBBRYSA-N 282.384 0.912 0 50 CCAA CCN(C)C[C@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 524698685 AWKYNCYHFQDBDJ-KGLIPLIRSA-N 284.400 0.982 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1CCC1(O)CCC1 643829767 KVLUGUXBMRSHHO-AWEZNQCLSA-N 270.373 0.519 0 50 CCAA C=CC(=O)N1CCC(C(=O)N[C@H](C(=O)OC)C(C)C)CC1 1875367033 OZZUTWZSKNQNDV-ZDUSSCGKSA-N 296.367 0.725 0 50 CCAA Cn1cccc1C(=O)N1CCN([C@@H]2CCOC2)CC1 363545190 LNBDMQGYVJWNBU-GFCCVEGCSA-N 263.341 0.572 0 50 CCAA CC(C)OC[C@@H]1CN(S(=O)(=O)c2cnc[nH]2)CCO1 372220674 DRJVRRJJRFQLDR-JTQLQIEISA-N 289.357 0.224 0 50 CCAA CC(C)n1cc(S(=O)(=O)N[C@@]2(C)CCOC2)cn1 158610904 UKMNYRQXDBTESA-NSHDSACASA-N 273.358 0.921 0 50 CCAA Cc1nn(C)c2c1[C@H](NC(=O)C1=NNC(=O)CC1)CCC2 1857680162 CQRTYUKPKSGCAW-SECBINFHSA-N 289.339 0.488 0 50 CCAA O=C1N[C@H]2C[C@@H]1N(Cc1cccc(-n3cccn3)c1)C2 1857713460 KIEHDKYKECIALD-JSGCOSHPSA-N 268.320 0.945 0 50 CCAA CCn1cc(CN(CCO)C(=O)[C@H]2CO[C@@H](C)C2)cn1 331050400 KZOFVGQOASAPQP-WCQYABFASA-N 281.356 0.649 0 50 CCAA COC[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H](C)O1 331044453 SQYBEVAHMAYJSF-NEPJUHHUSA-N 267.329 0.454 0 50 CCAA CO[C@@H]1CN(CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1O 395285560 BXOWWCQOJKVBGR-HUUCEWRRSA-N 290.363 0.805 0 50 CCAA COc1ccc(COCC(=O)Nc2cnnn2C)cc1 905108481 ASWQNCLAJISUTF-UHFFFAOYSA-N 276.296 0.979 0 50 CCAA CC(C)n1ccc(CC(=O)N(C)C(C)(C)C(N)=O)n1 820915409 AXLCLYDWFQQCRY-UHFFFAOYSA-N 266.345 0.729 0 50 CCAA CCC[C@@H](C(=O)N1CC(O)(C(N)=O)C1)c1ccccc1 822759110 PZJXHIZSLILTIK-GFCCVEGCSA-N 276.336 0.629 0 50 CCAA Cc1nc(N2CCN(C[C@@H](O)c3ccccn3)CC2)n[nH]1 931629718 UIKZBOFVLHGZPV-CYBMUJFWSA-N 288.355 0.364 0 50 CCAA Cc1[nH]nc2c1CCCN2CC1(O)CCS(=O)(=O)CC1 934308555 IELZWGUOZVADAA-UHFFFAOYSA-N 299.396 0.410 0 50 CCAA O=C1CC[C@@H](CC(=O)NS(=O)(=O)Cc2cccnc2)C1 1875290880 GOTHJECCLFCZEM-SNVBAGLBSA-N 296.348 0.787 0 50 CCAA CN(Cc1ccnc(N(C)C)n1)C(=O)CN1CCCCC1 1875321565 NCDUCOVRVLVSMH-UHFFFAOYSA-N 291.399 0.987 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@]12CCCCC(=O)N1CCC2 1875311661 JAQLFHWBWHEGIR-SZTZYQKNSA-N 294.351 0.767 0 50 CCAA CN(CCO)Cc1cn([C@@H]2Cc3ccccc3[C@@H]2O)nn1 881010289 FBIHBRVRYIHMGX-CABCVRRESA-N 288.351 0.533 0 50 CCAA Cc1c[nH]cc1C(=O)N1C[C@@H](N)[C@H](c2ccnn2C)C1 1775960984 XGYFPLKSZQEZEL-VXGBXAGGSA-N 273.340 0.624 0 50 CCAA CCCc1ncncc1C(=O)N[C@H]1COCC[C@@H]1O 1193452060 DVHXMVJUEUVJOE-RYUDHWBXSA-N 265.313 0.309 0 50 CCAA CC1(C)CN(C(=O)c2ccc(S(C)(=O)=O)cc2)CCN1 148062003 QTZSXXUXHISSGO-UHFFFAOYSA-N 296.392 0.914 0 50 CCAA CS(=O)(=O)NCCN1CCCc2c(N)cccc21 261885164 RSBWLHNUMAZJQJ-UHFFFAOYSA-N 269.370 0.571 0 50 CCAA NC(=O)c1ccnc(N2CC[C@@]3(CCCNC3)C2)c1 67696086 YGIDSZOWRCYEAY-CQSZACIVSA-N 260.341 0.760 0 50 CCAA C[C@H]1N(CCNS(C)(=O)=O)CCOC1(C)C 407948818 LCIHRSIECLERLV-SECBINFHSA-N 250.364 0.035 0 50 CCAA O=C(COc1cccc(F)c1)N1CCOC[C@H](CO)C1 77424242 HHCSHWLSATUBPW-NSHDSACASA-N 283.299 0.672 0 50 CCAA COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccccc1 647927305 IRHZMZQIUHJKFJ-ZDUSSCGKSA-N 299.348 0.941 0 50 CCAA Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1Cl 1452430 MQOJPYCQCAMMKF-UHFFFAOYSA-N 251.673 0.821 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)C[C@@H](C)c1ccccc1 67935066 YOCHAOOKESJILG-BNOWGMLFSA-N 289.379 0.854 0 50 CCAA CN1CCC[C@@]2(CCN(C(=O)c3ncccc3O)C2)C1=O 67921665 HZTLSJXHEWULNS-HNNXBMFYSA-N 289.335 0.872 0 50 CCAA CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)[C@H]1CCOC1 257366263 PVHXSOOOFVCDAT-UPJWGTAASA-N 288.413 0.664 0 50 CCAA CC(C)c1cc(=NC(=O)[C@]23CNC[C@H]2COC3)[nH][nH]1 653346445 VEFPBSRVTMQETA-ZANVPECISA-N 264.329 0.130 0 50 CCAA COc1ccc(OC)c(S(=O)(=O)N2CCNCC2)c1 34864559 CTLQZVODPMGFBU-UHFFFAOYSA-N 286.353 0.298 0 50 CCAA NC(=O)[C@@H]1CN(CCc2ccc(F)c(F)c2)CCO1 151998621 ZSLKRAGEASHYCH-LBPRGKRZSA-N 270.279 0.693 0 50 CCAA COC(=O)N[C@@H](C)C(=O)N(C)Cc1nc(C)c[nH]1 219100194 GXEUXTZTQZWPPE-QMMMGPOBSA-N 254.290 0.421 0 50 CCAA CNC(=O)CC(=O)N1CCC[C@@H](OCC2CC2)C1 364461408 LTUDWIGCTWAFGV-LLVKDONJSA-N 254.330 0.540 0 50 CCAA CNC(=O)Cn1cc(-c2cccc3ccnn23)cn1 72144655 XAKUQWYDLYIEOU-UHFFFAOYSA-N 255.281 0.944 0 50 CCAA C[C@@H](N)C(=O)N1CCC[C@@H](Cc2nccn2C)C1 157534881 DWEJJUOJGUACOD-MNOVXSKESA-N 250.346 0.548 0 50 CCAA C[C@H]1CN(C(=O)CCOC2CCOCC2)CCN1 237586359 GPPZWINVMGXFMU-NSHDSACASA-N 256.346 0.392 0 50 CCAA CN(C)C/C=C/C(=O)NCc1cc(=O)n2ccccc2n1 493043992 GJZMKVYUYADITG-FNORWQNLSA-N 286.335 0.429 0 50 CCAA Cn1cncc1CNC[C@@]1(N2CCOCC2)CCSC1 237932726 KZYJWOUJYVEGIG-AWEZNQCLSA-N 296.440 0.718 0 50 CCAA CN(C)C(=O)c1cccc(CN2C[C@H](F)C[C@H]2C(N)=O)c1 284612545 ANBPDPCBIVQCGZ-OLZOCXBDSA-N 293.342 0.786 0 50 CCAA C[C@@H](CN(C)c1cc(-n2cccn2)nc(N)n1)C(=O)O 263554850 NPPTVPNZMZPMSK-QMMMGPOBSA-N 276.300 0.401 0 50 CCAA C[C@H](NC(=O)NCCCc1ccccn1)C(N)=O 426716868 LAAFTQREGIXPSG-VIFPVBQESA-N 250.302 0.187 0 50 CCAA O=C(O)Cn1nc(C2CCCC2)nc1CCn1cnnn1 97636685 NAHYZRIRAVYVNY-UHFFFAOYSA-N 291.315 0.250 0 50 CCAA CNC(=O)c1noc(Cn2c(=O)c(C)nc3ccccc32)n1 95358634 VMXVEWJZEOAGPF-UHFFFAOYSA-N 299.290 0.496 0 50 CCAA Cn1nccc1CCN1C[C@]2(CCOC2)CCC1=O 91426719 BKFUOMCADIEMSY-CQSZACIVSA-N 263.341 0.992 0 50 CCAA Cc1nccn1CCCN1CCN(C)[C@H](CCO)C1 244795818 ROGJUTZYMSFNEG-CQSZACIVSA-N 266.389 0.580 0 50 CCAA NC(=O)[C@@H](O)C1CCN(C[C@H](O)Cc2ccccc2)CC1 299752756 VIWUXWLTNDVEDS-CABCVRRESA-N 292.379 0.148 0 50 CCAA COC(=O)c1cn(-n2c(C)nnc2C)cc2c(O)nnc1-2 524733309 GTJWVIIVPLZRGA-UHFFFAOYSA-N 288.267 0.395 0 50 CCAA COCC(C)(C)NC(=O)c1cnc2cc(O)nn2c1C 534587807 UNBWGDSBLUWIMK-UHFFFAOYSA-N 278.312 0.898 0 50 CCAA O=C(NC[C@@H]1CCNC[C@H]1O)c1cccc(F)c1F 534645419 OUEOAPNLWAZGOD-GZMMTYOYSA-N 270.279 0.665 0 50 CCAA CCn1nnc(=NC(=O)c2ccc(-n3ccnc3)cc2)[nH]1 1940194931 DBBTUAFJVSLIMJ-UHFFFAOYSA-N 283.295 0.553 0 50 CCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1noc(C)n1)CC2 299789573 XGGXDRZUCDMBMJ-GMXVVIOVSA-N 267.329 0.882 0 50 CCAA Cc1cc(C)nc(S[C@H](C)C(=O)N2CC(O)C2)n1 299785598 KUQLWNNCQMBPEY-SECBINFHSA-N 267.354 0.777 0 50 CCAA O=C(CCCn1cncn1)N[C@@H]1CCc2c[nH]nc2C1 828015025 JLECUPFYODXJSU-LLVKDONJSA-N 274.328 0.455 0 50 CCAA CCOC(=O)N1CC[C@@H](NCCc2nc(N)cc(O)n2)C1 584887537 FTPCFIXZGKJBGJ-SECBINFHSA-N 295.343 0.127 0 50 CCAA CCCc1nc(N2CC[C@@H](CC(=O)NC)C2)no1 670452521 ZUBRUVNYSUMSAF-VIFPVBQESA-N 252.318 0.985 0 50 CCAA CCc1nnc(CN(C)CC(=O)Nc2ccn(C)n2)o1 670435094 RSVRVGPCBSZQOZ-UHFFFAOYSA-N 278.316 0.436 0 50 CCAA N[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)NCCCc1ccccn1 1565514504 FTUZWOGPUGTZDZ-RFQIPJPRSA-N 273.336 0.411 0 50 CCAA Cc1cnc(CN2CC[C@H](CN(C)C)[C@@H](O)C2)[nH]1 1565507747 ANQRXDNCCXFMOX-NEPJUHHUSA-N 252.362 0.463 0 50 CCAA C[C@]1(O)CCN(C(=O)CN2Cc3ccccc3C2)C[C@H]1O 1565515476 FGLLAILEVPNKDA-ZBFHGGJFSA-N 290.363 0.346 0 50 CCAA COC[C@H](C)CC(=O)Nc1ccn([C@H]2CCNC2)n1 547691412 SSLJSZUNENDEAL-MNOVXSKESA-N 266.345 1.029 0 50 CCAA CC(=O)N(C)CC(=O)OCc1nc2cccnc2[nH]1 728224241 WHNXZSXYMQGJBU-UHFFFAOYSA-N 262.269 0.479 0 50 CCAA Cc1nonc1CNC(=O)c1cccc(-n2cccn2)n1 736563143 UJUQXSDCAPWOIP-UHFFFAOYSA-N 284.279 0.889 0 50 CCAA CC[C@@H]1OC2(CCN(C(=O)c3conc3C)CC2)NC1=O 1615593016 XAXJZOXDBCVXLL-NSHDSACASA-N 293.323 0.840 0 50 CCAA O=C(N1CCC2(CCOCC2)C1)[C@]12CNC[C@H]1CCOC2 1615613981 CRMMLAHEIVQGPW-CJNGLKHVSA-N 294.395 0.642 0 50 CCAA C=CS(=O)(=O)CCN1CCO[C@@]2(CCO[C@@H]2C)C1 1616035094 KXSUJUCNRAMZGS-NEPJUHHUSA-N 275.370 0.425 0 50 CCAA CCN(Cc1nc(C(C)C)no1)C(=O)c1cncc(=O)[nH]1 1506418417 RMJUYPJHMRDPRN-UHFFFAOYSA-N 291.311 0.939 0 50 CCAA Cn1cncc1C(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704347461 LRQQKFJSDSRRRB-BXUZGUMPSA-N 286.335 0.491 0 50 CCAA O=S(=O)(N1CCCCCC1)N1CCC[C@H]1CCO 305724537 GDDOCRFYEDQNNQ-LBPRGKRZSA-N 276.402 0.954 0 50 CCAA CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 4149175 KLLVJSXJXKQICM-WDEREUQCSA-N 276.402 0.963 0 50 CCAA Cc1nc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cn1C 121021202 JGDNYFLJOMMBRW-IUCAKERBSA-N 273.358 0.526 0 50 CCAA COc1cc(OC)cc(C(=O)N2CCNCC2)c1 5061176 YHDXJIYVDCHDIX-UHFFFAOYSA-N 250.298 0.749 0 50 CCAA in-vitro O=C(Nc1cn[nH]c1)c1[nH]cc2c1CCS2(=O)=O 1875332860 OHLVETCRXQQZIU-UHFFFAOYSA-N 266.282 0.320 0 50 CCAA O=C(C1Cc2ccccc2C1)N1CCC([C@H](O)CO)CC1 1772707434 SLXBJNQZVPVFES-MRXNPFEDSA-N 289.375 0.993 0 50 CCAA CC[C@@H](C(=O)Nc1nnc(C)s1)N1CCOCC1 15921215 RQOOZHJLDKUHBB-VIFPVBQESA-N 270.358 0.896 0 50 CCAA O=C(CN1CCOCC1)N[C@H]1CCCCCC[C@@H]1O 1857673490 UKMGYFSVWBFADJ-STQMWFEESA-N 270.373 0.519 0 50 CCAA O=C(c1cnsc1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857684615 VKYUXCMMBWJUSK-ZWNOBZJWSA-N 295.364 0.246 0 50 CCAA NC(=O)c1ccc(C(=O)NCC[C@@H](O)C(F)(F)F)cn1 225402768 MKVABRGOGIJGLS-MRVPVSSYSA-N 291.229 0.224 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)[C@@H]1COc2ccccc21 129421875 OOMQLELAXSGPGJ-ZYHUDNBSSA-N 291.303 0.865 0 50 CCAA COc1ccc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)c(F)c1 659171269 NKZXFQRQQOEAGJ-MNOVXSKESA-N 283.255 0.806 0 50 CCAA Cn1cc(N2CCN(Cc3ncccc3O)CC2=O)cn1 585084424 ZWWWBDJFRMSLPC-UHFFFAOYSA-N 287.323 0.370 0 50 CCAA O=C1[C@H](N2CCC[C@H](Cn3ccnn3)C2)CCN1C1CC1 162606802 MZRLXHHDCNEESJ-GXTWGEPZSA-N 289.383 0.753 0 50 CCAA Cn1cnnc1CN1CCOc2ccccc2[C@@H]1C(=O)O 903928006 NRPKRRUEPLBRKT-CYBMUJFWSA-N 288.307 0.835 0 50 CCAA C[C@@H](O)c1cc(NC(=O)c2nnn(C)n2)ccc1F 908177289 HJICRFSVNXCGEE-ZCFIWIBFSA-N 265.248 0.655 0 50 CCAA Cc1nc(O)c2c(n1)CN(CCO[C@H]1CCOC1)C2 931311191 FRUJEVFWRYKTLD-JTQLQIEISA-N 265.313 0.612 0 50 CCAA Cn1nc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1C(F)F 934093249 LIMMLQFJLINRKS-ZETCQYMHSA-N 298.293 0.851 0 50 CCAA NCCC(=O)NC[C@@H]1CCCCN1C[C@H](O)C(F)(F)F 864097544 YZIUDWHFAKAFCW-UWVGGRQHSA-N 297.321 0.229 0 50 CCAA CC[C@@]1(C)CCN(C(=O)C(=O)N2C[C@@H]3CNC[C@]3(C)C2)C1 872190902 FWUSESYQRIMECU-VBNZEHGJSA-N 293.411 0.703 0 50 CCAA CC(C)C[C@H]1NC(=O)[C@H](C[C@@H]2CCCOC2)NC1=O 1875278777 DOPHIMHNOFDUKC-TUAOUCFPSA-N 268.357 0.832 0 50 CCAA Cc1nc(C(F)(F)CNC(=O)c2cccc(O)n2)n[nH]1 1875259834 DQVIJESYTSLHDF-UHFFFAOYSA-N 283.238 0.736 0 50 CCAA Cc1n[nH]cc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 888094506 XFLQJNZGKYDZMA-NWDGAFQWSA-N 291.311 0.028 0 50 CCAA CN(Cc1ccco1)C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 888093497 AKXWYXPWMNEYBJ-VXGBXAGGSA-N 292.295 0.076 0 50 CCAA O[C@@H](COC1CCOCC1)Cn1cc(-c2cc[nH]n2)nn1 1771868436 GBVBTHRJOBSNKP-SNVBAGLBSA-N 293.327 0.225 0 50 CCAA C[C@@H]1NCC[C@@H](C)[C@H]1NC(=O)/C=C/c1cncn1C 1775984629 NYKOPPSRTWSQBF-DFXNZJIDSA-N 262.357 0.936 0 50 CCAA CCC[C@@H](CNC(=O)c1cnc(N)nc1C)N(C)C 534664646 NTIHPSDUYGGLKW-JTQLQIEISA-N 265.361 0.827 0 50 CCAA CCCn1[nH]nnc1=Nc1ncc(C)c(N(C)C)n1 2100545085 PJQMJFPPPPFYGZ-UHFFFAOYSA-N 262.321 0.413 0 50 CCAA CC(C)[C@@]12CC[C@H](NC(=O)N[C@H]3C[C@H](O)[C@H](O)C3)[C@@H]1C2 2325796513 WBSJOXCHWQGFDW-CUBHAZCTSA-N 282.384 0.995 0 50 CCAA CCOc1ccc(S(=O)(=O)NCC(=O)O)cc1 216018 XJIQFMHJWKKCRK-UHFFFAOYSA-N 259.283 0.448 0 50 CCAA Nc1nonc1-c1nc2ccccc2n1CC(=O)O 298458 VFLJHDYRDURZEP-UHFFFAOYSA-N 259.225 0.753 0 50 CCAA COc1cnc(N2CCC[C@]3(CN(C)CC[C@@H]3O)C2)nc1 2356143891 BNZHYUZHOBOCDP-ZFWWWQNUSA-N 292.383 0.768 0 50 CCAA COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1C 4866479 SUGCPJYLZMIWDS-QMMMGPOBSA-N 273.310 0.755 0 50 CCAA O=c1cccc(Cl)n1Cc1nnnn1C1CC1 225471297 AAXKOZWIFOZZSN-UHFFFAOYSA-N 251.677 0.871 0 50 CCAA O=C(CCCn1cccn1)N[C@@H]1CCCNC1=O 51470099 GTEXBXYQTQAJBX-SNVBAGLBSA-N 250.302 0.058 0 50 CCAA CN1CCC[C@@H](CNC(=O)C(=O)c2ccco2)C1 67954559 IUJLEVITAWGZQL-JTQLQIEISA-N 250.298 0.920 0 50 CCAA O=C1C[C@@H](Sc2ncccc2C(=O)O)C(=O)N1 100635681 ZQEHVTSYKKEULQ-ZCFIWIBFSA-N 252.251 0.287 0 50 CCAA Cc1nc[nH]c1-c1nnc(SCC(=O)O)n1C 67432921 XURJHFGAMOJTOJ-UHFFFAOYSA-N 253.287 0.690 0 50 CCAA O=S(=O)(O)[C@H](O)c1ccc2cccc(O)c2n1 23634593 FITYJZFMKVNKTA-JTQLQIEISA-N 255.251 0.819 0 50 CCAA C[C@H]1CNC(=O)CCN1Cc1ccc2nonc2c1 65405506 HMSDQTVMUVDWDN-VIFPVBQESA-N 260.297 0.933 0 50 CCAA CCCN(CCO)c1cc(N2CCC[C@H](CO)C2)ncn1 154007950 ADSLQTSTULZUKC-ZDUSSCGKSA-N 294.399 0.894 0 50 CCAA Nc1ncc(Cl)cc1S(=O)(=O)N1CCC[C@@H](O)C1 154229546 UIPIWFFCYPJPCZ-MRVPVSSYSA-N 291.760 0.463 0 50 CCAA Cc1cccc(CS(=O)(=O)NC[C@@H]2CC(=O)N(C)C2)c1 74863361 DLNRIHGNIVXPMR-ZDUSSCGKSA-N 296.392 0.893 0 50 CCAA Cn1c(CN2CC[C@@]3(C2)NC(=O)NC3=O)nc2ccccc21 370183853 MRICSVVQNHKHCE-HNNXBMFYSA-N 299.334 0.357 0 50 CCAA C[C@@H](C(=O)N(C1CC1)C1COC1)n1nnnc1C(C)(C)C 333038361 DQOMMWQSNCOPOK-VIFPVBQESA-N 293.371 0.921 0 50 CCAA CNCC(=O)N1CC[C@@H](Cc2ccc(C(=O)O)cc2)C1 72480394 HPQCKIKFSFJIBU-LBPRGKRZSA-N 276.336 0.995 0 50 CCAA CC[C@@]1(C(N)=O)CCCN(C(=O)c2cn[nH]c2)C1 216066179 HUJTXRVXAZYACY-GFCCVEGCSA-N 250.302 0.527 0 50 CCAA Cc1cccc([C@@H](NC(=O)[C@@H]2COCCO2)C(=O)O)c1C 263074875 PJJCYBMLKRHQOX-QWHCGFSZSA-N 293.319 0.961 0 50 CCAA CCS(=O)(=O)N1[C@H](C(N)=O)C[C@H]2CCCC[C@H]21 242197013 XGYVSDWUQDRXSZ-BBBLOLIVSA-N 260.359 0.455 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(N)nc1 223075991 BAOQFENHNBCCIJ-YGNMPJRFSA-N 277.324 0.444 0 50 CCAA Cc1cnc(C)c(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 284554028 LPUAXNSVZMGMOC-MNOVXSKESA-N 261.329 0.696 0 50 CCAA C[C@@H]1CC[C@H](CCC(=O)Nc2cnn(CC(N)=O)c2)O1 175463507 IIHIXSCOPHAFAU-MWLCHTKSSA-N 280.328 0.655 0 50 CCAA CSc1ncccc1C(=O)N[C@H]1CCCNC1=O 49498917 ADRNBCNPBVLHOK-VIFPVBQESA-N 265.338 0.812 0 50 CCAA O=C(NCCCc1nn[nH]n1)[C@@H]1CCCN2CCCC[C@H]12 426598862 LVBHUPKCRBHVPJ-VXGBXAGGSA-N 292.387 0.513 0 50 CCAA CNC[C@H]1CCN(C(=O)CN2CCCCCCC2=O)C1 179023988 CKMMPOSQJFEMHQ-CYBMUJFWSA-N 281.400 0.847 0 50 CCAA CC(C)N(C)CC(=O)Nc1nnc(C2CC2)n1C 617289737 XQDUDQVDABEKKE-UHFFFAOYSA-N 251.334 0.971 0 50 CCAA CCN1C[C@@H]2CN(c3ncc(OC)cn3)C[C@]2(C(=O)O)C1 91907385 BKQTUOULZRBPGD-QMTHXVAHSA-N 292.339 0.328 0 50 CCAA COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(N)=O 146177625 CGMQVXPBMLTDSL-SSDOTTSWSA-N 260.290 0.318 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1c[nH]c2cccnc12 622003837 GKBPNBQJHWIAIN-WCBMZHEXSA-N 272.308 0.960 0 50 CCAA C[C@H](CS(C)(=O)=O)Nc1cnn(CC(F)F)c1 182641433 RKEHTAALNQVEOZ-SSDOTTSWSA-N 267.301 0.993 0 50 CCAA Cc1nn2c(=O)c(=Cc3cccc(F)c3)sc2nc1=O 254387133 PFJBVNOXQAQPMG-UHFFFAOYSA-N 289.291 0.506 0 50 CCAA CCOC(=O)[C@H]1CCCN(c2nnc(N)s2)C1 390825313 WMKUAYNNYOCAQX-ZETCQYMHSA-N 256.331 0.900 0 50 CCAA Cc1cnc(CNC(=O)[C@H](C)Cn2cccn2)cn1 827628140 YVTVBLMRFDNXJY-SNVBAGLBSA-N 259.313 0.934 0 50 CCAA NCc1ccc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)cc1 584891267 YJCRCQFXHUBSFU-CHWSQXEVSA-N 273.336 0.695 0 50 CCAA O=C1C[C@H](C(=O)NCCc2cnn[nH]2)C2(CCCC2)O1 584892728 VOFROEIMRCGZDE-SNVBAGLBSA-N 278.312 0.339 0 50 CCAA CN(C[C@H]1CC1(C)C)C(=O)CCCn1cnnn1 670437809 LTGZCHSMHDYSGT-SNVBAGLBSA-N 251.334 0.958 0 50 CCAA O[C@H]1CN(c2ncnc3[nH]cnc23)C[C@@H]1N1CCCCC1 670451521 YDFMFGJCICUZKV-QWRGUYRKSA-N 288.355 0.388 0 50 CCAA Cc1ncn(C)c1C(=O)NCCCN1CCCC[C@@H]1CO 670451176 QFFXWQZLYVRZJT-CYBMUJFWSA-N 294.399 0.695 0 50 CCAA C[C@H]1CN([C@H]2CCOC2=O)CCN1c1nccs1 241132729 JLFOIJFQLSWKCR-UWVGGRQHSA-N 267.354 0.969 0 50 CCAA NC(=O)CN1CCC[C@@H](C(=O)NCC[C@@H]2CCCOC2)C1 952976402 KHLIROVKJHMKPY-QWHCGFSZSA-N 297.399 0.117 0 50 CCAA COc1cccc([C@H]2CCN2C(=O)Cn2[nH]nnc2=N)c1 952962401 CZRSHISQZOCUEO-LLVKDONJSA-N 288.311 0.068 0 50 CCAA COc1ccc(C2(C(=O)N[C@H]3CCNC[C@@H]3O)CC2)cc1 1565516262 XBCNHUGQOJSNLC-KBPBESRZSA-N 290.363 0.566 0 50 CCAA O=C(NS(=O)(=O)[C@H]1CCCOC1)c1cscn1 408407408 XDDSCESIFDAZBY-ZETCQYMHSA-N 276.339 0.382 0 50 CCAA Cc1nc2c([nH]1)CC[C@H](C(=O)N(CCO)C1CC1)C2 164962087 KRJWRSRCBLZJMX-JTQLQIEISA-N 263.341 0.806 0 50 CCAA Cc1ccc(N)cc1NC(=O)CN1CCC(=O)NC1=O 207094270 SLADOFXVOIBISO-UHFFFAOYSA-N 276.296 0.458 0 50 CCAA CC[C@@H]1NC(=O)N(C[C@@H](n2cncn2)C(F)(F)F)C1=O 630991299 JJWJRYPPLZWEJW-NKWVEPMBSA-N 291.233 0.712 0 50 CCAA CCN(CC(N)=O)c1nc(C(C)C)nc(N(C)C)n1 276960510 SGBVIYWSHLQZDU-UHFFFAOYSA-N 266.349 0.373 0 50 CCAA CN(C)C(=O)Cn1cc(-c2nc(-c3ccco3)no2)nn1 277883836 IWZOCJADIQRONQ-UHFFFAOYSA-N 288.267 0.676 0 50 CCAA CN(C)c1n[nH]c(CNC(=O)N2C[C@H]3COC[C@@]3(C)C2)n1 637789828 ZLSFEABCUDTEOM-TVQRCGJNSA-N 294.359 0.049 0 50 CCAA CO[C@@H]1COC[C@@H]1NC(=O)c1cc(F)cc2nc[nH]c12 578961689 GMWFCMKJXNOERI-WDEREUQCSA-N 279.271 0.846 0 50 CCAA C[C@@H]1CCNC(=O)[C@H]1NC(=O)COc1ccccc1 194191463 UHMKPMCEGKRXOU-MFKMUULPSA-N 262.309 0.706 0 50 CCAA C[C@@H](C(=O)N[C@@H](Cc1ccncc1)C(=O)O)n1cccn1 655600554 JIXBNCSCJOYPLL-JQWIXIFHSA-N 288.307 0.651 0 50 CCAA CSCCCN1CC[C@H](N2CCC(O)CC2)[C@@H](O)C1 1614184593 BFUURRKIUHVBQO-KBPBESRZSA-N 288.457 0.631 0 50 CCAA CN(Cc1cn(C)nn1)C(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21 1615552921 HSODBFUJNKPRQY-FPMFFAJLSA-N 291.399 0.942 0 50 CCAA CN(C)C(=O)c1cccnc1N1CC[C@H](C(=O)O)[C@H](O)C1 1704358195 FEOZUKRHIKTMKE-GXSJLCMTSA-N 293.323 0.055 0 50 CCAA CCOC(=O)C(C(=O)OCC)[C@H](C)C(=O)OCC 1682370 JYMRIBGHCMHLSA-QMMMGPOBSA-N 260.286 0.928 0 50 CCAA C[C@@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)Cc1ccon1 424388522 HFQWVFXYIFPLAK-RKDXNWHRSA-N 288.325 0.690 0 50 CCAA FC1(F)C[C@@H]2CN(c3nnnn3[C@@H]3CCOC3)C[C@@H]21 1875290339 UTFLPVGVAYFKRC-HLTSFMKQSA-N 271.271 0.726 0 50 CCAA COc1ccc(Cl)cc1NC(=O)N[C@H]1CNC[C@@H]1O 1565525939 KXYSFVZGBCOSBX-UWVGGRQHSA-N 285.731 0.803 0 50 CCAA CCN1CCn2c(nnc2-c2c(C)n[nH]c2C)C1=O 1772806756 KIXWMOTXWNDHEZ-UHFFFAOYSA-N 260.301 0.761 0 50 CCAA CCn1ccc(C(=O)N2CCC([C@H](O)CO)CC2)cc1=O 1772813001 SRGHMEJGYLDJGI-CYBMUJFWSA-N 294.351 0.074 0 50 CCAA O=C(NCCN1CCNCC1)c1cc2ccccc2[nH]1 19360932 AAIVITOVJTVMAM-UHFFFAOYSA-N 272.352 0.803 0 50 CCAA O=C(N[C@H]1CCCCCC[C@@H]1O)c1nc2ncccn2n1 1857678635 ITBKPGLFQTVZMH-QWRGUYRKSA-N 289.339 0.938 0 50 CCAA O=C([C@@H]1C[C@@H](O)CN1)N1CCCN(C2CCCC2)CC1 238010795 CLUQTVNEQGJUMM-KGLIPLIRSA-N 281.400 0.186 0 50 CCAA CC(C)(C)N1CC[C@H](N2CCS(=O)CC2)C1=O 335116977 AUMZHNSTJPSYJS-JTQLQIEISA-N 258.387 0.450 0 50 CCAA CC(C)C(=O)N1CCCN(c2ccc(C(N)=O)nn2)CC1 572820506 JQCPSEOEKZOTKB-UHFFFAOYSA-N 291.355 0.270 0 50 CCAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCO[C@@H](C(=O)O)C2)n1 262891836 AHCZKVLQRCOTOV-NWDGAFQWSA-N 295.339 0.763 0 50 CCAA C[C@@H]1CNCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 125215063 PTQMUNLVHZBCSW-BDAKNGLRSA-N 293.289 0.218 0 50 CCAA COC[C@@H]1NC(=O)N(c2cnc(C(C)(C)C)nc2)C1=O 900200142 WIVISKZLUUJYMQ-VIFPVBQESA-N 278.312 0.845 0 50 CCAA CC(C)C1(CNC(=O)Nc2[nH]nnc2C(N)=O)CC1 1875272858 QXWAQVXXCVRMOH-UHFFFAOYSA-N 266.305 0.461 0 50 CCAA Cc1nc(C(=O)N2CCN(c3nnc(C)s3)CC2)no1 1875281922 FGKOCKWPRYKEAB-UHFFFAOYSA-N 294.340 0.500 0 50 CCAA O=C(NCCCNC1CC1)c1ccnc2[nH]ncc12 1875301435 KLEZTZPNYDJMEI-UHFFFAOYSA-N 259.313 0.830 0 50 CCAA O=C(Nc1ccns1)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O 1875318444 PZHDOAONRLETAD-SWOGREBESA-N 269.326 0.349 0 50 CCAA O=C1C[C@@]2(CCN(C(=O)c3ccc4nc[nH]c4n3)C2)CN1 1772980017 KLYUTGSGOYENDD-AWEZNQCLSA-N 285.307 0.310 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2ccccc2F)C1 284893771 RXVLWOASLILNTF-NWDGAFQWSA-N 267.300 0.976 0 50 CCAA Cc1cc(C)cc(S(=O)(=O)NC[C@@]2(O)CCCNC2)c1 534588310 ZRNHGSRQDHQMKM-CQSZACIVSA-N 298.408 0.696 0 50 CCAA CC(=O)N[C@H]1CCN(c2nc(C(C)(C)C)nc(=N)[nH]2)C1 383597661 UETXMPSQXFGRSJ-VIFPVBQESA-N 278.360 0.296 0 50 CCAA COCCN1CC[C@H](CN=c2nc3ncn(C)c3c[nH]2)C1 2100534368 FNLQHUZEKIJMNA-LLVKDONJSA-N 290.371 0.165 0 50 CCAA CN1C[C@H](C(=O)NCC2CC3(C2)CC(C)(C)C3)NCC1=O 2325775902 AIBQSDNGGYGFMY-GFCCVEGCSA-N 293.411 0.749 0 50 CCAA NCc1nc(C(=O)NCc2ccc(O)c(F)c2)co1 2325865577 IBJFPIMMZVXNTH-UHFFFAOYSA-N 265.244 0.908 0 50 CCAA O=C(O)CCNc1cc(C(=O)O)ccc1C(=O)O 48205 RUVSKZCXQIRTEC-UHFFFAOYSA-N 253.210 0.970 0 50 CCAA biogenic O=S(=O)(N1CCOCC1)n1cnc2ccccc21 2550695 YNDIXYJZTSFOBL-UHFFFAOYSA-N 267.310 0.461 0 50 CCAA Cc1ccc(NC(=O)C(=O)NCCO)cc1Cl 2993396 OPUOYSKRIQFICQ-UHFFFAOYSA-N 256.689 0.695 0 50 CCAA O=C(NCc1ccccc1)N[C@H]1CCS(=O)(=O)C1 4110829 MLHDOYGWKMPCSI-NSHDSACASA-N 268.338 0.673 0 50 CCAA O=C(O)Cn1nnnc1COc1ccccc1Cl 62467579 MJKZCLMIGSBDHL-UHFFFAOYSA-N 268.660 0.990 0 50 CCAA CC[C@@H]1CN(c2nccc(-c3ncnn3C)n2)CCO1 65404585 FKKKHUHSBIFEPE-SNVBAGLBSA-N 274.328 0.887 0 50 CCAA CCC[C@H]1NC(=O)N(CN2CCCC[C@H]2C(N)=O)C1=O 252444064 YVKRSIAQJKTXQT-ZJUUUORDSA-N 282.344 0.004 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)NC)ccc1Cl 33359670 QRZGJUQICUKPTP-UHFFFAOYSA-N 262.718 0.608 0 50 CCAA Cc1noc([C@@H](C)N2CCC[C@@H](NS(C)(=O)=O)C2)n1 229853499 YNTITPSGRJJDJB-PSASIEDQSA-N 288.373 0.453 0 50 CCAA CC(C)(C)n1nnnc1CS(=O)(=O)CC1(O)CCC1 329845921 YDCYVYQLTARHBS-UHFFFAOYSA-N 288.373 0.258 0 50 CCAA NC(=O)c1noc([C@@H]2CCCN2Cc2cscn2)n1 328656448 ZIFBRLIHIYIULY-QMMMGPOBSA-N 279.325 0.962 0 50 CCAA O=C(C1Cc2ccccc2C1)N1CCN([C@@H]2CCNC2)CC1 318837434 GDKZFFCNYFDTTG-QGZVFWFLSA-N 299.418 0.908 0 50 CCAA CN1CCO[C@@H]2CN(C(=O)c3cccc(CO)c3)C[C@@H]21 362885958 LZKYPYQHWVLYIN-UONOGXRCSA-N 276.336 0.334 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)CCc1cscn1 262511282 OYXGXDLYPJLKTE-VIFPVBQESA-N 270.310 0.388 0 50 CCAA CN[C@H](C)CNS(=O)(=O)c1c[nH]c2ncccc12 261562165 GIGQRZJWPSVLCJ-MRVPVSSYSA-N 268.342 0.449 0 50 CCAA O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1C[C@H](O)CN1 262617974 ZGJVHHIZKONAEN-WCBMZHEXSA-N 290.348 0.866 0 50 CCAA CS[C@@H](CO)[C@@H](C)Nc1ccc2nc(C)nn2n1 240551690 GVKWJMRAZXTSSG-APPZFPTMSA-N 267.358 0.957 0 50 CCAA O=C1CCCN1[C@H]1CCCN(CCn2cc[nH]c2=O)C1 71714479 IGFXKTBEDHWBDC-LBPRGKRZSA-N 278.356 0.263 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 128239170 LCXZRXTVYKQTEC-NNYUYHANSA-N 265.309 0.901 0 50 CCAA O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@](O)(CO)CC1 72164799 WUZQWFIMCNBADK-HNNXBMFYSA-N 293.367 0.638 0 50 CCAA C[C@]1(C(=O)N2CCC[C@H](CC(N)=O)C2)CCNC1 237748574 IVOHTUDAOQEKLP-MFKMUULPSA-N 253.346 0.100 0 50 CCAA CCOC1CC(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)C1 377256637 TVPZVTUJCOKAGC-RPFQZYLTSA-N 295.339 0.002 0 50 CCAA CC(=O)NCCC(=O)Nc1cccc(-n2nnnc2C)c1 41984459 MDQVDWAOAPNXGB-UHFFFAOYSA-N 288.311 0.435 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2cc(C)nc(C3CC3)n2)C1 284636158 ULEBEHAMVSBWNZ-QWRGUYRKSA-N 276.340 0.741 0 50 CCAA Cc1cnc(CCNC(=O)N[C@H]2CCCN(C)C2=O)cn1 528005112 RZLJEYXHAXCCPH-LBPRGKRZSA-N 291.355 0.248 0 50 CCAA CCn1ccnc1C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 291587877 HCQAGINSXAKASK-NEPJUHHUSA-N 278.356 0.448 0 50 CCAA COc1ncnc(OC)c1C(=O)N1C[C@H](C)N[C@@H](C)C1 179152301 IKXOTMGTPDQFRQ-IUCAKERBSA-N 280.328 0.316 0 50 CCAA CN(C)CCN(C)C[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1CO 91706872 FXMGSVGNZFSMNO-HUUCEWRRSA-N 297.443 0.347 0 50 CCAA CC(C)C[C@H]1C(=O)NCCCN1C(=O)/C=C/CN(C)C 293849725 HNBZLJWCSGRBID-IYNGYCSASA-N 281.400 0.867 0 50 CCAA Cc1nn(C)c(C(=O)NC[C@@H]2COCCO2)c1Cl 299794999 LNOGPNIPFUNPQH-MRVPVSSYSA-N 273.720 0.527 0 50 CCAA O=C(C1CCC1)N1CCCN(CCn2cc[nH]c2=O)CC1 299780630 ATWNDYUUGOYWCX-UHFFFAOYSA-N 292.383 0.511 0 50 CCAA O=C1CC[C@@H](N2CCC(CN3CCOCC3)CC2)CCN1 828305442 ONIRAKIDEAOZBG-OAHLLOKOSA-N 295.427 0.699 0 50 CCAA CC(C)[C@@H](CNC(=O)CCS(C)(=O)=O)N1CCCC1 820696207 AJZOUAVIBRKELC-GFCCVEGCSA-N 290.429 0.658 0 50 CCAA Cc1nc([C@@H]2CCCN(CCn3cnnc3)C2)n[nH]1 825262133 LEGAAJMYWGMVSB-LLVKDONJSA-N 261.333 0.584 0 50 CCAA COCCN1CC[C@H](CNC(=O)[C@H]2CC[C@H](O)CC2)C1 824412390 LVOGMPICYJNIIG-MGPQQGTHSA-N 284.400 0.622 0 50 CCAA COCCOCC(=O)NC1(C(N)=O)CCCCCC1 584894135 PZVIRTJLLQLSHW-UHFFFAOYSA-N 272.345 0.344 0 50 CCAA CN1CCC(CNC(=O)C[C@H]2CCOC2)(N(C)C)CC1 823759395 DOIPBTFTSCUMKU-CYBMUJFWSA-N 283.416 0.555 0 50 CCAA O=C(Cc1ccccn1)NCCN1CCCC[C@@H]1CO 828711014 YCHLYNGPJUYLNW-CQSZACIVSA-N 277.368 0.587 0 50 CCAA CN1C[C@H](CNC2CSCCSC2)OCC1=O 670469530 LIYNTOMERYNYNK-JTQLQIEISA-N 276.427 0.282 0 50 CCAA O=C(NOC1CCOCC1)c1cc(O)nc(C2CC2)n1 1334620086 OYJPNRZXJXZZKZ-UHFFFAOYSA-N 279.296 0.900 0 50 CCAA CCCc1noc(CN(C)C[C@H]2COCCO2)n1 15065908 NNZFNHHWVZEHQY-JTQLQIEISA-N 255.318 0.869 0 50 CCAA CCN1C[C@@H](CN(C)S(=O)(=O)N(C)C(C)C)CC1=O 952979362 SLECSDLFXWZJMF-LLVKDONJSA-N 291.417 0.372 0 50 CCAA CC1(C(=O)NC[C@@H]2CCCN(C(=O)CO)C2)CCCC1 952977125 SKFNNPAJHDNLBV-LBPRGKRZSA-N 282.384 0.914 0 50 CCAA CNC(=O)c1cccnc1NC1CCN(CCOC)CC1 301371046 PPZJYUVKNZTYFN-UHFFFAOYSA-N 292.383 0.964 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)Cc2ccc(O)cc2)C1 630253801 HTBWENHBVVKWDW-CQSZACIVSA-N 279.292 0.637 0 50 CCAA C[C@H]1OCC[C@]12CN(C(=O)c1coc(C(N)=O)c1)CCO2 279963031 KOOQICNJKICYDR-OTYXRUKQSA-N 294.307 0.399 0 50 CCAA c1cncc(-c2cn(CCN3CCOCC3)nn2)c1 641033304 MNTWHBICMOQRKW-UHFFFAOYSA-N 259.313 0.672 0 50 CCAA Cc1nc(CNC(=O)N2CC[C@@H](C)[C@H]2CO)no1 190602898 RJMIIQRTWFPJIF-VXNVDRBHSA-N 254.290 0.290 0 50 CCAA CN1CC[C@H](NCC2(C(N)=O)CCOCC2)[C@H]2CCC[C@H]21 584069074 NPCRPFAEQIRGRT-HZSPNIEDSA-N 295.427 0.731 0 50 CCAA C[C@@H](C(=O)O)C(=O)N=c1cc(C(F)(F)F)[nH][nH]1 584231345 OMVRKPFOBJFABU-GSVOUGTGSA-N 251.164 0.510 0 50 CCAA CN(C)CC1(O)CCN(C(=O)C[C@@H]2CCOC2)CC1 584886019 OIYNRXLKOIBRRF-LBPRGKRZSA-N 270.373 0.328 0 50 CCAA CN1CC[C@H](C(=O)NCc2cccc3c2OCO3)CC1=O 194598512 RPEQFCGNHJTACD-JTQLQIEISA-N 290.319 0.900 0 50 CCAA C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2CNC[C@@H]2C1 195250719 PQCROHDYABCGAI-SDDRHHMPSA-N 261.325 0.527 0 50 CCAA Cc1cnc(N[C@H]2CCCCN(CC(=O)O)C2=O)nc1C 1615571315 ISSQCKBRQQLUOO-NSHDSACASA-N 292.339 0.971 0 50 CCAA Cc1nccnc1CCNC(=O)c1c(O)nnc(C)c1C 1645809449 NAUDLJCEVYAADI-UHFFFAOYSA-N 287.323 0.870 0 50 CCAA O=S(=O)(C1CCOCC1)N1CCC[C@@H](C2(O)CC2)C1 1772805628 QWUYAFRCTFVWLQ-LLVKDONJSA-N 289.397 0.732 0 50 CCAA CCNC(=O)[C@H]1CCN(c2nc(N)nc(C)c2Cl)C1 1506421766 JOUUSFPQVZJSDJ-QMMMGPOBSA-N 283.763 0.983 0 50 CCAA C[C@@H]1CCO[C@H]1C(=O)N1C[C@H](C)[C@@](C)(C(=O)O)C1 1857527789 JOZDFJUURHWZTE-COMAGPEQSA-N 255.314 0.981 0 50 CCAA Cc1cc(C(=O)NC[C@@H](C(=O)O)C2CCC2)nn1C 663148280 ASJZIXJSIQYYQG-SNVBAGLBSA-N 265.313 0.959 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2C[C@@H]3C[C@H]2CO3)CC1 1875366314 ZAESRKOIEHDQPW-RYUDHWBXSA-N 264.325 0.411 0 50 CCAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)C1(C(=O)O)CC1 154922470 GTEGKMWKKRFJRQ-YIZRAAEISA-N 253.298 0.781 0 50 CCAA NS(=O)(=O)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1 12377601 XVJXMXDTAYSCOU-UHFFFAOYSA-N 293.304 0.220 0 50 CCAA Cc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)o1 16602855 BKUHFHNZCOGSLO-UHFFFAOYSA-N 286.353 0.614 0 50 CCAA CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1nc(C)cs1 237026676 AWILFDNPMORQEZ-UTLUCORTSA-N 269.370 0.742 0 50 CCAA COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(N)=O)c1 71706 KPRFTRSEJHOVCI-LBPRGKRZSA-N 291.307 0.817 0 50 CCAA NC(=O)C1(O)CN(C(=O)c2c[nH]cc2Cc2ccccc2)C1 827359390 RLVDPAIZOSTGRU-UHFFFAOYSA-N 299.330 0.278 0 50 CCAA CCOCCCC(=O)N1CCC[C@H](Cc2nn[nH]n2)C1 952883521 MXUWXWHUCYZZKF-LLVKDONJSA-N 281.360 0.798 0 50 CCAA CC(C)c1nc(=NC(=O)N2CC[C@H](CO)C2)s[nH]1 1875296752 NCUXNQULKXYUDP-QMMMGPOBSA-N 270.358 0.930 0 50 CCAA O=C(O)c1cc(CCNC(=O)[C@@H]2CCCS2)[nH]n1 1875307036 IAHPDBYBCDBFIG-VIFPVBQESA-N 269.326 0.662 0 50 CCAA CCOC[C@@H](O)Cn1nnc2cc(F)ccc2c1=O 887268605 PUTNGLPJDSDIGW-VIFPVBQESA-N 267.260 0.328 0 50 CCAA C[C@H]1CN(Cc2cn([C@@H]3CCOC3)nn2)C[C@@H](C)O1 887548970 PCVCRHYBOIAURN-NTZNESFSSA-N 266.345 0.849 0 50 CCAA CC(C)NC(=O)[C@H](C)n1cc(CN2CCOC[C@H]2C)nn1 899704841 SVGHUUDWRJSJDH-NEPJUHHUSA-N 295.387 0.584 0 50 CCAA C[C@H](C(=O)O)N1CCCC[C@@H]1CN1CCOCC1 237393010 JOLKMRRBKHWKAZ-VXGBXAGGSA-N 256.346 0.646 0 50 CCAA C[C@@](O)(CNc1ccccc1S(C)(=O)=O)C(=O)O 566740470 JQCMMTVVIWDBMD-LLVKDONJSA-N 273.310 0.338 0 50 CCAA NS(=O)(=O)C1(CNc2ncncc2Cl)CCC1 721539793 CWKRODSPPOXSOP-UHFFFAOYSA-N 276.749 0.753 0 50 CCAA O=C1C[C@@H]([C@H]2CCN(c3cncc(-n4cccn4)n3)C2)CN1 2325790872 RPFZVALQBHQSFO-NWDGAFQWSA-N 298.350 0.625 0 50 CCAA CC(C)C[C@@H](NC(=O)c1cncc(O)c1)c1nn[nH]n1 2325806500 CEEWATOPZSSTBR-SNVBAGLBSA-N 276.300 0.818 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(CCNC(=O)CN2)C1 2325712102 JSHCITLZBIAHNQ-CYBMUJFWSA-N 269.345 0.476 0 50 CCAA COC(=O)[C@@H]1C(=O)N(C(C)=O)C[C@H]1c1ccccc1 210413 ICMXWPXCOAOFCK-RYUDHWBXSA-N 261.277 0.948 0 50 CCAA CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C 900553 CAWXEEYDBZRFPE-UHFFFAOYSA-N 252.318 0.513 0 50 CCAA in-vitro C[C@@]12CCCN1C(=O)N([C@H]1CC(=O)N(C3CC3)C1)C2=O 253432031 INFXHCKRIQSWCV-HZMBPMFUSA-N 277.324 0.566 0 50 CCAA CCC[C@H](CC)[S@@](=O)CCCS(N)(=O)=O 359404713 FSSVPMMGBPQKMO-XPTSAGLGSA-N 255.405 0.992 0 50 CCAA CN(C)C1(CNC(=O)c2cn[nH]c2)CCOCC1 215609777 XWLAMKOZQABHKB-UHFFFAOYSA-N 252.318 0.250 0 50 CCAA O=C(c1cc2ccccn2c1)N1CCO[C@@H](c2nn[nH]n2)C1 365768573 HQLSJSLRDAMSRO-GFCCVEGCSA-N 298.306 0.666 0 50 CCAA Cc1nc(S(=O)(=O)N[C@@]2(C)CCOC2)cn1C 158456425 ONOUTFVZXMYQOD-JTQLQIEISA-N 259.331 0.186 0 50 CCAA C[C@@H]1COCCN(C(=O)c2cccnc2C(N)=O)C1 368473686 JHPLAAMMEIWVKQ-VIFPVBQESA-N 263.297 0.289 0 50 CCAA COCC1(CNc2nc(N)nc3c2CCNCC3)CC1 72462738 AKAXOACCLOWXBA-UHFFFAOYSA-N 277.372 0.586 0 50 CCAA Cn1nnc(Cn2cnc3sc4c(c3c2=O)CCC4)n1 333065770 NVKATUSJRVIMHK-UHFFFAOYSA-N 288.336 0.519 0 50 CCAA COCCOc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2)cc1 237143475 QWQOLUOOQKQVDP-JSGCOSHPSA-N 294.351 0.051 0 50 CCAA CN1CCN(CCNC(=O)Nc2cnns2)CC1(C)C 282011198 YLTYFKIIWGJHLA-UHFFFAOYSA-N 298.416 0.686 0 50 CCAA O=C(NCc1nncn1C1CC1)[C@H]1Cc2ccccc2CN1 238049321 ZCNYIFRDUIMXNQ-CQSZACIVSA-N 297.362 0.944 0 50 CCAA Nc1nc(CCNC(=O)[C@@H]2Cc3ccccc3O2)n[nH]1 220130232 QBGXFFZCDCTIOX-JTQLQIEISA-N 273.296 0.049 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccccc1C(=O)O 426401889 PDRZWZQHXWVPOC-RYUDHWBXSA-N 279.292 0.919 0 50 CCAA CCc1noc(CCNC(=O)[C@H](C)n2ccnc2)n1 426489871 FQYAZRSULKGCQA-VIFPVBQESA-N 263.301 0.748 0 50 CCAA CCC[C@@H](NC(=O)Cc1c(C)nc(CC)nc1O)C(=O)O 426414393 MDMZTEAAQIDQFA-SNVBAGLBSA-N 295.339 0.965 0 50 CCAA Oc1cc(CCc2nc([C@H]3CCOC3)n[nH]2)on1 97784961 JFZJTPLFCAUSIQ-ZETCQYMHSA-N 250.258 0.787 0 50 CCAA COCC[C@@]1(CO)CCCN(CCCn2cnnn2)C1 91526484 WNRPVWDPBWQWMP-ZDUSSCGKSA-N 283.376 0.174 0 50 CCAA Cc1cccc(-n2nc(C)nc2C[C@@H]2COCCN2)n1 91690541 YAORAGOWLFTFEE-GFCCVEGCSA-N 273.340 0.810 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)c2ccc(=O)[nH]c2)C1 91620298 FBFSOFPKCCLYON-HNNXBMFYSA-N 294.351 0.626 0 50 CCAA COCCNC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 245316892 LBQKLWSATKNSSZ-XQQFMLRXSA-N 267.373 0.759 0 50 CCAA COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 252446150 NDQQUUGZEQKRBP-KKJSVHSVSA-N 293.319 0.673 0 50 CCAA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 299764003 IUBQCVZIXWVZEW-JZYVYDRUSA-N 292.339 0.300 0 50 CCAA CC(C)(C)c1cc(CNC(=O)CN2CCC[C@H](O)C2)[nH]n1 299765525 HSYIVGDQVHDELZ-LBPRGKRZSA-N 294.399 0.780 0 50 CCAA CCS(=O)(=O)N[C@@H](C)c1nc(CCOC)no1 824462420 QNLDHMTZTKTKDX-ZETCQYMHSA-N 263.319 0.259 0 50 CCAA O=C(C[C@@H]1CCOC1)NCCN1CCCCC1=O 584885606 WNPAPHJEIZZTNY-NSHDSACASA-N 254.330 0.542 0 50 CCAA COc1cccc2ncn(C[C@@H](O)CN(C)C)c(=O)c12 584903735 QXNCDBSKKFABLZ-JTQLQIEISA-N 277.324 0.328 0 50 CCAA CCNC(=O)N1CCC(NC(=O)c2cnc(N)s2)CC1 584884479 HAMKRJXFMCRCTB-UHFFFAOYSA-N 297.384 0.649 0 50 CCAA O=C(N1CCOCC1)N1CCC(N[C@H]2CCSC2)CC1 584902645 SVQBADHZKXIOSN-ZDUSSCGKSA-N 299.440 0.998 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NCCN1CCC[C@H](CO)C1 584884724 FSLMIAATLFFWHA-ZDUSSCGKSA-N 294.399 0.390 0 50 CCAA Cc1c[nH]c(C(=O)N[C@H]2CCOC[C@@H]2OCCN(C)C)n1 1565529455 QZYSMKXOSYOZPL-RYUDHWBXSA-N 296.371 0.184 0 50 CCAA C[C@H]1CCCN(C(=O)c2ccc(C(N)=O)cc2)[C@@H]1CN 237713839 OMJVHMZKEPXLRS-GXFFZTMASA-N 275.352 0.985 0 50 CCAA C[C@@H]1C[C@H](S(=O)(=O)N2CCO[C@H](C)C2)CCO1 408190992 BZILMHGUALMEHE-GMTAPVOTSA-N 263.359 0.604 0 50 CCAA OC[C@@H]1CN(c2nccn3nc(C4CC4)cc23)C[C@H]1CO 631384557 HCVMYOMXNADLKY-RYUDHWBXSA-N 288.351 0.644 0 50 CCAA C[C@H]1CCn2ncc(C(=O)NC[C@H](C)C(=O)O)c2C1 583874600 ZGXLOAGNWXYFPP-IUCAKERBSA-N 265.313 0.916 0 50 CCAA C[C@@H]1C[C@@H](C(=O)NC[C@H](n2cncn2)C(F)(F)F)CO1 633985055 VOSGJFXHSXXULT-HLTSFMKQSA-N 292.261 0.923 0 50 CCAA CC(C)(C)[C@H]1CCN(CC(=O)N=S(C)(C)=O)C[C@H]1O 585117037 PMHGJQTZPYKISU-WDEREUQCSA-N 290.429 0.970 0 50 CCAA CSC[C@H](C)C(=O)N1CCN(c2nc[nH]n2)CC1 585130387 OSNVXPZUKOTMAS-VIFPVBQESA-N 269.374 0.452 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 190406778 RQHWLUOOTHQSLY-STQMWFEESA-N 290.367 0.940 0 50 CCAA CCn1nc(C)cc1C(=O)N1CCC[C@@]1(COC)C(=O)O 643848308 ANPUCUHMZQZVEC-CQSZACIVSA-N 295.339 0.917 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)CC2(OC)CCC2)C1 644035105 GRDQBRQDVMPOBD-CQSZACIVSA-N 298.383 0.435 0 50 CCAA C[C@H](O)CS(=O)(=O)c1ncccc1Br 193172103 MXBVVFLIYAHLSB-LURJTMIESA-N 280.143 0.999 0 50 CCAA C[C@@H]1NC(=O)N(CCN2CCOc3ccccc3C2)C1=O 656417050 LJMAZVBWPIFFDA-NSHDSACASA-N 289.335 0.821 0 50 CCAA O[C@@]1(c2cnn[nH]2)CCCN(CCc2ccccn2)C1 794048479 LQIVMRKZIHVCKG-AWEZNQCLSA-N 273.340 0.726 0 50 CCAA CC(C)(C)NC(=O)CN1CCN(C[C@H]2CCCOC2)CC1 1506399997 LEQMHYDMNJZCNI-CQSZACIVSA-N 297.443 0.945 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)N[C@@](C)(CN)CC(C)C 420460024 RBAISSMDRZZAPE-GFCCVEGCSA-N 288.417 0.770 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)C3CCNCC3)C[C@@H]2O)on1 1704341581 XDJJXZYLSKOAOA-OCCSQVGLSA-N 293.367 0.344 0 50 CCAA O=C(NCC1(C(=O)O)CCOCC1)c1ccc(F)cn1 228567141 OCWBWYDEKQXLDO-UHFFFAOYSA-N 282.271 0.832 0 50 CCAA c1ccc2c(c1)SCc1nnc(Cc3nn[nH]n3)n1-2 1772811832 YJZPNZKMVAIYBD-UHFFFAOYSA-N 271.309 0.977 0 50 CCAA CN(C)c1nc(NCC(=O)N2CCCC2)ncc1F 1772702383 VUYBGJGHYKJSRX-UHFFFAOYSA-N 267.308 0.716 0 50 CCAA O=C(NN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccco1 169303602 WKNYOIBBAPBOIF-XFFJFQIUSA-N 276.248 0.087 0 50 CCAA Cc1cccc(CN2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)n1 1857696854 OKDWGYYWLCSHGS-KBPBESRZSA-N 275.352 0.822 0 50 CCAA COC[C@H](O)CN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 245512712 ARFIJRVYEGRWSS-IACUBPJLSA-N 282.384 0.469 0 50 CCAA Cc1ccccc1CNC(=O)CN1CC[C@](C)(O)[C@H](O)C1 248175858 ZBMUIEJQXSZTLH-ZBFHGGJFSA-N 292.379 0.429 0 50 CCAA CNC(=O)CCN1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 565299780 NZBOHTCEESYYNM-PHIMTYICSA-N 298.289 0.925 0 50 CCAA C[C@@]1(O)CCN(C(=O)C(=O)Nc2cccc(F)c2F)C1 267417571 LUOPHCNQYUIVRZ-CYBMUJFWSA-N 284.262 0.887 0 50 CCAA CC(C)S(=O)(=O)CC(=O)NC[C@H]1NCCC[C@@H]1C 390834639 KCZHBYYUWPQTJD-WDEREUQCSA-N 276.402 0.314 0 50 CCAA O=C(OC1COC1)N1CCN(c2ncc(F)cn2)CC1 902922837 KNQJWMCYTFHTRN-UHFFFAOYSA-N 282.275 0.273 0 50 CCAA COC[C@@H](C(N)=O)N(C)C(=O)c1cc2c(C)cccn2c1 820573894 VMUUUFXHKNRZGT-ZDUSSCGKSA-N 289.335 0.820 0 50 CCAA Cc1ccccc1[C@@H](C)C(=O)N1CC(NS(N)(=O)=O)C1 827344964 QLODOFNBKUZQGU-SNVBAGLBSA-N 297.380 0.102 0 50 CCAA Cn1nncc1CNC(=O)C[C@@H]1C[C@@H]2COC[C@@H]21 1875284109 MDIQZZKCZMZXJF-IQJOONFLSA-N 250.302 0.104 0 50 CCAA CN(CCNC(=O)c1ncnn1C)c1ccccn1 1875282895 XJJDMMHJXRGYHP-UHFFFAOYSA-N 260.301 0.076 0 50 CCAA COC[C@@H](NC(=O)c1ccc(C2CC2)s1)C(N)=O 1875253829 CGIKQRSCWOWUKW-MRVPVSSYSA-N 268.338 0.856 0 50 CCAA CC(C)Cc1cc(N2CC3(C[C@@H](O)CNC3=O)C2)ncn1 1775278865 YWBVKXHEQCTTOL-GFCCVEGCSA-N 290.367 0.362 0 50 CCAA COc1nc(C)ncc1C(=O)N1C[C@@H]2CC[C@]2(N)C1 1775961346 UNAQGGCWHPZYOA-ZANVPECISA-N 262.313 0.357 0 50 CCAA CC[C@@H](NC(=O)CN1C(=O)Cc2ccccc21)c1nc[nH]n1 1775988045 OFUZKNLZUCZNFZ-LLVKDONJSA-N 299.334 0.961 0 50 CCAA Cc1ccoc1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 168042784 DCJDKIMNLUDNBR-CYBMUJFWSA-N 277.280 0.402 0 50 CCAA CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(OC)ccn2)C1 533383249 LAQHSHROZOUHNB-CYBMUJFWSA-N 299.396 0.604 0 50 CCAA C[C@@H](O)Cc1nccn1CC(=O)N1CCOC(C)(C)C1 2325880178 XWDKFNXEBRTUTA-LLVKDONJSA-N 281.356 0.444 0 50 CCAA O=C(CNS(=O)(=O)c1ccccc1)N1CCCC1 467479 CMGOVZXADHXBIP-UHFFFAOYSA-N 268.338 0.587 0 50 CCAA COCCCNC1=NS(=O)(=O)c2ccccc21 2838769 NKCAMALSLFQHKM-UHFFFAOYSA-N 254.311 0.762 0 50 CCAA CCCN1Cc2nnc(-c3cc[nH]n3)n2[C@H](C)C1=O 2356156288 UXKDFOMRFWOGKF-MRVPVSSYSA-N 260.301 0.981 0 50 CCAA COc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 2441513 GTUIGGIYWJCNDA-GFCCVEGCSA-N 278.308 0.929 0 50 CCAA C[C@@H]1CC[C@H](C(=O)N[C@@]2(C(=O)O)CCSC2)O1 222254111 MPEFANFUTBKISW-XLDPMVHQSA-N 259.327 0.630 0 50 CCAA O=C1CC[C@H](C(=O)N2CCC[C@@H]2[C@@H]2CCCO2)N1 342519374 OVYUCKDWOXGXGN-MXWKQRLJSA-N 252.314 0.435 0 50 CCAA C[C@H]1C[C@H](C)CN(CC(=O)N2CCC(C(N)=O)CC2)C1 9698343 CTGWQLJDINTDGC-RYUDHWBXSA-N 281.400 0.688 0 50 CCAA C[C@H](NC(=O)[C@@H](C)N1CCNC(=O)C1)[C@@H]1C[C@H]2CC[C@H]1C2 249501547 AMJBXTRYCBSRKL-NDKCEZKHSA-N 293.411 0.748 0 50 CCAA CN1CCN(C(=O)CN2CCC(CCC(=O)O)CC2)CC1 50926267 ZAPGQDMMUVYOSI-UHFFFAOYSA-N 297.399 0.337 0 50 CCAA COC(=O)[C@]12CNC[C@H]1CN(C(=O)OC(C)(C)C)C2 309835341 IJSXTUMCGDQTGI-ZANVPECISA-N 270.329 0.616 0 50 CCAA O=C(Cn1cnc2ccccc2c1=O)N1CCSCC1 20910138 PQGBHJSFDCIROS-UHFFFAOYSA-N 289.360 0.972 0 50 CCAA C[C@@H](C(=O)O)n1c(CN2CCCCC2)n[nH]c1=O 65394830 DSRZQTMYLVWBGH-QMMMGPOBSA-N 254.290 0.203 0 50 CCAA CCc1nnc(NC(=O)CN2CCN(CC)CC2)s1 20213832 CGRCMKFSERRALJ-UHFFFAOYSA-N 283.401 0.677 0 50 CCAA Cc1cnn(C[C@H](C)NCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 229472903 WXTTZGWOKGJENF-IHRRRGAJSA-N 294.399 0.805 0 50 CCAA COCC(=O)NCc1nc2ccc(C(=O)OC)cc2[nH]1 354065673 RMOOQXFAWOTEEP-UHFFFAOYSA-N 277.280 0.612 0 50 CCAA CN(CC(=N)O)C[C@@H]1CN(Cc2cnn(C)c2)CCO1 330405960 NOLBSZSKEVZKFW-GFCCVEGCSA-N 281.360 0.088 0 50 CCAA COc1ccnc(C(=O)N[C@@H]2CCOC[C@H]2OC)c1 219468783 WZSQJPHSDFKESL-ZYHUDNBSSA-N 266.297 0.624 0 50 CCAA COc1cccc(C)c1C(=O)NC[C@H]1CN(C)C(=O)CO1 218969524 PNIIHJMDFVDTDZ-NSHDSACASA-N 292.335 0.591 0 50 CCAA Cn1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1 331660042 SFFSUIOBWJMCBI-MBNYWOFBSA-N 291.351 0.581 0 50 CCAA COCCN1CN(C(=O)c2cc(Cl)cn2C)CC1=O 282560871 YMANNFKOOAAFEM-UHFFFAOYSA-N 285.731 0.567 0 50 CCAA CCS(=O)(=O)NCCN1C[C@H](CO)Cc2ccccc21 366441638 PRZQWTOASNQBSO-GFCCVEGCSA-N 298.408 0.597 0 50 CCAA CC(=O)N[C@H](C(=O)N1CC[C@H](N)C1)C1CCCC1 132272876 CUHSNWRXOBBSKH-RYUDHWBXSA-N 253.346 0.241 0 50 CCAA CN(C)[C@H]1CCCN(C(=O)NCc2nc(C3CC3)n[nH]2)C1 333907052 VNJVIISTFKVRFI-NSHDSACASA-N 292.387 0.918 0 50 CCAA NC[C@@H]1CCCCN1C(=O)c1ccc(C(N)=O)nc1 237846994 FDSIJPNAQHCJFE-JTQLQIEISA-N 262.313 0.134 0 50 CCAA Cn1cnnc1CCNC(=O)Cc1ccsc1 222835174 KAJDYHJMZGHYGI-UHFFFAOYSA-N 250.327 0.778 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCN2CCCCC2=O)o1 222933886 LAPANWDOBGEKFR-UHFFFAOYSA-N 278.308 0.691 0 50 CCAA CNc1ncccc1C(=O)N[C@@H]1COCC[C@@H]1OCCO 220219098 VIXMTUIWTWSGPT-NEPJUHHUSA-N 295.339 0.020 0 50 CCAA C[C@H](O)[C@H]1CN(C(=O)c2nc[nH]c3nccc2-3)CCO1 616322264 DMXVMPKQEJNAEG-WCBMZHEXSA-N 276.296 0.131 0 50 CCAA CCc1ccccc1C(=O)NC[C@@](C)(O)C(=O)O 161750199 SZDXRLCFJSQZMD-CYBMUJFWSA-N 251.282 0.814 0 50 CCAA COc1ccnc(Cn2ncn3cccc3c2=O)c1OC 95368861 PXSGFQMLUJHYKP-UHFFFAOYSA-N 286.291 0.957 0 50 CCAA CN1CCN(c2cc(C(=O)N3CC[C@H](N)C3)ccn2)CC1 237236799 SZODXXYYPRWHLF-ZDUSSCGKSA-N 289.383 0.007 0 50 CCAA COCCCn1cnnc1[C@@H](C)NC(=O)C1CCOCC1 97551421 IYJFAJNSCOQLHY-LLVKDONJSA-N 296.371 0.918 0 50 CCAA CC(C)c1cc(C(=O)N2CCC[C@@H]2CO)nc2ncnn12 91425317 MFAWFTWQXLAXAB-SNVBAGLBSA-N 289.339 0.845 0 50 CCAA Cc1nc2cc(CC(=O)N[C@@H]3CCNC3)ccc2[nH]1 97632079 BWOLFSQVRDLDKX-LLVKDONJSA-N 258.325 0.892 0 50 CCAA O[C@H]1CN(Cc2nnc(C3CC3)o2)C[C@@H]1N1CCCCC1 244734298 NCWIBJKBWKDWMJ-STQMWFEESA-N 292.383 0.978 0 50 CCAA N[C@H]1CC[C@@H](NC(=O)c2cc(=O)nc3sccn23)CC1 244594263 DJLJDNPNPRSZFP-DTORHVGOSA-N 292.364 0.756 0 50 CCAA COCCn1c(Cn2ccnc2)nnc1[C@H]1C[C@H](N)C1 244691809 JJSJELMQDQLKRB-XYPYZODXSA-N 276.344 0.374 0 50 CCAA C1C[C@@H]2OCCN3[C@@H]4CCC[C@@H]5OCCN([C@H](C1)N23)N54 251534646 XUMMZLWKAHEKDL-XUXIUFHCSA-N 280.372 0.771 0 50 CCAA C[C@@H]1CN(C(=O)NCC(C)(C)c2ccccn2)CC(=O)N1 297444084 BDSUNMLTABJKGR-LLVKDONJSA-N 290.367 0.889 0 50 CCAA C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(C)CCNC2)CCN1C 299739534 PSZWLOFMBDIYRS-MBNYWOFBSA-N 253.390 0.927 0 50 CCAA O=C(COC[C@@H]1CCCCO1)NCCc1c[nH]cn1 252480251 BZAYVPQAABVARN-LBPRGKRZSA-N 267.329 0.654 0 50 CCAA CCc1nc(CCNC(=O)CCn2nnnc2C)cs1 534646469 FKZSZYMJIRISCZ-UHFFFAOYSA-N 294.384 0.749 0 50 CCAA O=C(CN1Cc2ccccc2C1)N1C[C@@H]2CCN[C@@H]2C1 534652471 NVSCGBHWEYOWMX-LSDHHAIUSA-N 271.364 0.823 0 50 CCAA COCCn1cnnc1CN(C)Cc1nnc(C)s1 299802183 XVIIHUMRWIOBFK-UHFFFAOYSA-N 282.373 0.716 0 50 CCAA CN1CCC[C@H]1CCNC(=O)CCS(C)(=O)=O 827819917 FHLHPHZWHUUJIW-JTQLQIEISA-N 262.375 0.022 0 50 CCAA COCCN(C)CC(=O)NC[C@@]1(C)CCN(C)C1 824405754 UTKSACOVZGCEMP-CYBMUJFWSA-N 257.378 0.023 0 50 CCAA CCCCN1CCN(CCc2ncc[nH]2)CC1=O 670437709 CDJHIXFZQMQDSJ-UHFFFAOYSA-N 250.346 0.897 0 50 CCAA COCCN1CC[C@H](CN(C)C(=O)[C@H]2CC[C@H](O)CC2)C1 584884939 JOMDVCFLXWIUND-RBSFLKMASA-N 298.427 0.964 0 50 CCAA Cc1ccn(C)c1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942738 UYIRTZZECVSOLE-NWDGAFQWSA-N 290.323 0.633 0 50 CCAA CCn1nc(C)c(CNC(=O)[C@](C)(O)C2CCC2)n1 1557133976 GVAFSFWZIRUYCZ-CYBMUJFWSA-N 266.345 0.774 0 50 CCAA O=C(c1cc(O)cc(Br)c1)N1C[C@H](O)CO1 700770009 QONJTJAJMMRGHH-VIFPVBQESA-N 288.097 0.903 0 50 CCAA O=C(N[C@H]1COCC[C@@H]1O)c1cn2ccsc2n1 1565525588 ZJJDSCQZEXYIRC-IUCAKERBSA-N 267.310 0.275 0 50 CCAA COC[C@H]1CN(C(=O)[C@H]2Cc3ccccc3CN2)CCO1 269058963 IXVOLUSSDXRIOT-HUUCEWRRSA-N 290.363 0.575 0 50 CCAA CC(C)(C)OC(=O)CN1CCC(=O)C[C@H]1C(=O)O 95910880 OZAWLTYEPXIRGI-VIFPVBQESA-N 257.286 0.446 0 50 CCAA in-vitro O=C(O)[C@H]1COCCN1C(=O)Cc1cc(F)ccc1F 269001429 YXMRXCPUROQKLK-LLVKDONJSA-N 285.246 0.819 0 50 CCAA CCCCN1CCOC[C@H]1C(=O)N1CCC[C@H](O)CC1 408177018 ICWZSGSOOWZMMQ-KBPBESRZSA-N 284.400 0.861 0 50 CCAA Cc1nnc(CC(=O)N2CCNC(=O)[C@@H]2CC(C)C)s1 408523821 VJAQKALNPBZCAM-JTQLQIEISA-N 296.396 0.762 0 50 CCAA COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ncc(C)s1 185534041 KIFWLFTUPVDCIJ-BDAKNGLRSA-N 256.327 0.560 0 50 CCAA CCO[C@H](C)C(=O)NN1C(=O)N[C@@](C)(CC)C1=O 278720115 KOLLLBDRGIRIQV-HQJQHLMTSA-N 257.290 0.163 0 50 CCAA CNC(=O)Cn1cnc(NC(=O)C2(OC)CCCCC2)n1 187303927 OTBQVHPDXBMWID-UHFFFAOYSA-N 295.343 0.312 0 50 CCAA c1cc(N2CCOCC2)nc(N2CC[C@]3(CCOC3)C2)n1 676312640 ATLSSQUZZIJUOH-HNNXBMFYSA-N 290.367 0.930 0 50 CCAA O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@H]1C[C@H]2CC[C@H]1O2 585123939 QYQAMBIRSUBVNH-IFHCSVGRSA-N 277.324 0.923 0 50 CCAA CC(C)(C)N1CC[C@@H](NC(=O)c2cc(N)n[nH]2)C1 710356770 IZKMOSNRGUINEZ-MRVPVSSYSA-N 251.334 0.595 0 50 CCAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)COc1ccccc1 194191429 UHMKPMCEGKRXOU-ZWNOBZJWSA-N 262.309 0.706 0 50 CCAA CCc1nn(C)cc1CNC(=O)N[C@@H](C)C(=O)N(C)C 195580093 TUUMETXFPJHCBK-VIFPVBQESA-N 281.360 0.258 0 50 CCAA CN(CC(F)(F)F)C(=O)N1CCC[C@H]([C@@H](O)C(=O)O)C1 568258145 BCWIMTYTMOHNER-JGVFFNPUSA-N 298.261 0.758 0 50 CCAA CCN1CCNC(=O)[C@H]1CC(=O)Nc1cnn(C(C)C)c1 1506408468 SEGBZLPHKZEYCV-GFCCVEGCSA-N 293.371 0.613 0 50 CCAA CN[C@@H](C)C(=O)Nc1cc(-n2cnnc2)ccc1OC 1506395940 KAOPPLIPOMJTCG-VIFPVBQESA-N 275.312 0.822 0 50 CCAA Cn1nc2c(c1NC(=O)[C@H]1C=CCN1)CSC2 1529133542 OLFDPDLSLSYSNP-MRVPVSSYSA-N 250.327 0.633 0 50 CCAA C[C@H](CCn1cccn1)NC(=O)[C@H]1CN(C)CC[C@@H]1O 210931957 NNAWZUUCYWWRDY-AGIUHOORSA-N 280.372 0.091 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2O)on1 1704338584 VKSBTABEIFNXAR-DGCLKSJQSA-N 275.308 0.987 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(C)no1 643944946 RWIPEZAKYZRTNP-LBPRGKRZSA-N 267.285 0.090 0 50 CCAA CCc1nc(=N[C@@H](C)c2nccc(=N)[nH]2)s[nH]1 585092015 AZJUEGJJVQDQIV-LURJTMIESA-N 250.331 0.898 0 50 CCAA COCCc1nc(-c2c[nH]nc2C)nn1-c1cnn(C)c1 1775983680 QXSWVOABNJIRTQ-UHFFFAOYSA-N 287.327 0.888 0 50 CCAA Nc1ccc2ncnc(N3CCO[C@H](CO)C3)c2c1 167747955 BLCHUJURUIXFSB-JTQLQIEISA-N 260.297 0.410 0 50 CCAA CC[C@]12COC(=O)N1CCN(c1ncnc3[nH]cnc13)C2 1857682639 KZVSHBWEZXIUSD-ZDUSSCGKSA-N 288.311 0.774 0 50 CCAA CNC(=O)Cn1cc(-n2ccnc2-c2nc(C)c[nH]2)cn1 1857683731 WFQNFRULOLRQMA-UHFFFAOYSA-N 285.311 0.513 0 50 CCAA O=C1CO[C@@H]2CCN(Cc3cccc4ccnn34)C[C@@H]2N1 1857703117 UIZZDTKVCOHBRX-UONOGXRCSA-N 286.335 0.424 0 50 CCAA COCCOCCN1C(=O)[C@@]2(CCNC2)c2ccccc21 1875247456 MGVVDVDDJCTINQ-MRXNPFEDSA-N 290.363 0.927 0 50 CCAA CC(C)(O)CNC(=O)[C@@H]1COCCN1CC(F)(F)F 252507487 WMZBXOFCXSCRLA-QMMMGPOBSA-N 284.278 0.137 0 50 CCAA CCCCNC(=O)[C@@H](C)N1CCO[C@@H](Cn2ccnn2)C1 585116234 MXRKVFIUTVXGFQ-CHWSQXEVSA-N 295.387 0.284 0 50 CCAA C=CC(=O)NCCC(=O)N(CC)c1cnn(C)c1 848343559 JEASGQWPWASTMY-UHFFFAOYSA-N 250.302 0.465 0 50 CCAA O=C(NCc1cccc2cccnc12)[C@@H]1C[C@@H](O)CN1 127662415 SOJJTSPJXJJTFX-OLZOCXBDSA-N 271.320 0.574 0 50 CCAA Cc1sc2ncc(C(=O)NOC[C@H](C)O)c(=O)n2c1C 1875295642 MNMYMWZQSYJALQ-LURJTMIESA-N 297.336 0.415 0 50 CCAA CCS(=O)(=O)NC(=O)c1ccc2c(c1)OCCO2 1875257807 BEJJSFKVBNSBHV-UHFFFAOYSA-N 271.294 0.537 0 50 CCAA Cc1cnn([C@@H]2[C@@H](N[C@H]3CCn4ccnc43)C[C@H]2O)c1 1875266313 IGYDUMNGDKEGAD-WUHRBBMRSA-N 273.340 0.797 0 50 CCAA Cc1ncc(NC(=O)C(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)s1 1875290037 LLHIHTHDFDJWBT-MYJAWHEDSA-N 295.364 0.904 0 50 CCAA NC(=O)N1CC[C@H](NCCS(=O)(=O)c2ccccc2)C1 1875274075 FTWQNFFTXDTIKI-NSHDSACASA-N 297.380 0.203 0 50 CCAA N[C@@]12CC[C@@H](CN(C(=O)C(=O)N3CCC(F)(F)C3)C1)C2 1875306616 MGEZOPUSGQMSMY-BXKDBHETSA-N 287.310 0.194 0 50 CCAA O=C(O)[C@H](CCO)NC(=O)[C@@H]1CCc2cc(F)ccc2O1 1875313980 ZWBHMHKQRHCHHT-JQWIXIFHSA-N 297.282 0.471 0 50 CCAA Cc1c(Br)cccc1S(=O)(=O)NCCN 170050990 BCDNCIHEUYQTNH-UHFFFAOYSA-N 293.186 0.995 0 50 CCAA Cc1nnc(CCNC(=O)c2ncccc2O)s1 291147096 GPPOGYZHSKJZKM-UHFFFAOYSA-N 264.310 0.920 0 50 CCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)Cc2cccs2)C1 299795337 KLNNDOXRJUKRCC-SECBINFHSA-N 288.394 0.428 0 50 CCAA CCOc1ccnc(NCCc2nc(C)cc(=O)[nH]2)n1 65488368 LMVOCYVWQHIRHM-UHFFFAOYSA-N 275.312 0.922 0 50 CCAA CCOc1ccc(S(=O)(=O)N[C@H]2CCNC2=O)cc1C 534581870 ZXDQOYUHVXKYKI-NSHDSACASA-N 298.364 0.561 0 50 CCAA CCc1nn(C)cc1C(=O)N1CCC[C@](F)(CO)C1 335726234 AZEMNUMZFGSKPH-CYBMUJFWSA-N 269.320 0.919 0 50 CCAA O=C1C[C@@H](CNC(=O)c2cc(-n3cccn3)ccn2)CCN1 2325790002 BTTFTOHKADNCRF-NSHDSACASA-N 299.334 0.523 0 50 CCAA O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O 56756 VAFNMNRKDDAKRM-NSHDSACASA-N 290.275 0.755 0 50 CCAA endogenous,in-man OCC1(CO)COC2(CCN(Cc3ccccc3)CC2)N1 214827 UHLNYSPLDICQJV-UHFFFAOYSA-N 292.379 0.322 0 50 CCAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1 539833 QYZQCZGPCOJAAM-LLVKDONJSA-N 276.292 0.190 0 50 CCAA CC(C)(C)OC(=O)N[C@H](CCCCNC=O)C(=O)O 1576168 QYCPNUMTVZBTMM-SECBINFHSA-N 274.317 0.881 0 50 CCAA CC(C)COC(=O)[C@H](O)[C@@H](O)C(=O)OCC(C)C 1682734 ONZOGXRINCURBP-NXEZZACHSA-N 262.302 0.107 0 50 CCAA O=C1NC[C@H]2CN(c3ncnc4sccc34)C[C@@H]12 2356144613 GBPPIRRINCTSIY-IONNQARKSA-N 260.322 0.874 0 50 CCAA CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C 2386645 MYTAFXBNPKBRNX-KBPBESRZSA-N 291.395 0.833 0 50 CCAA C[C@@H]1CCC[C@H]1OC[C@@H](O)CN1CCN(C)CC1 22917801 IPEVRAKFVVFBAI-HZSPNIEDSA-N 256.390 0.800 0 50 CCAA COc1ccc(-n2cnc(CCNC(C)=O)c2)cn1 65406586 XEYJNMXVXDEJTI-UHFFFAOYSA-N 260.297 0.955 0 50 CCAA OCCN1CCN(C[C@H](O)COC2CCCCC2)CC1 20668521 GKSISEOMWASKAG-AWEZNQCLSA-N 286.416 0.307 0 50 CCAA Cc1cc(N[C@H](C(N)=O)[C@@H](C)O)nc(-c2cccnc2)n1 65386241 VXVGCQRTXDOQIK-SKDRFNHKSA-N 287.323 0.494 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C1CC(C)(C)NC(C)(C)C1 67672916 QLNKQTJCENVNDB-YPMHNXCESA-N 296.459 0.833 0 50 CCAA COCc1nc(CN2CCN(c3cnccn3)CC2)no1 182415189 VJZNDMIHSAYUFJ-UHFFFAOYSA-N 290.327 0.328 0 50 CCAA O=C(NC[C@@H]1CCCc2ccccc21)[C@H]1C[C@H](O)CN1 151802866 CYNFSSNDNZDFCD-KCQAQPDRSA-N 274.364 0.946 0 50 CCAA Cc1noc(CCCC(=O)N2C[C@H](O)C3(CC3)C2)n1 375297938 QJBZGRKWTCFKNS-JTQLQIEISA-N 265.313 0.684 0 50 CCAA COC(=O)CCOCCOCCOCCC(=O)O 214945241 GIIORLLUIQECST-UHFFFAOYSA-N 264.274 0.074 0 50 CCAA c1nc(N2CCC[C@H]2Cn2cncn2)c2nc[nH]c2n1 370820983 NAWPXMHIGNVVIC-VIFPVBQESA-N 270.300 0.613 0 50 CCAA CCc1cc(NCc2noc(C(N)=O)n2)n2nccc2n1 72467941 BLGHTCPTGPVWFJ-UHFFFAOYSA-N 287.283 0.386 0 50 CCAA CS(=O)(=O)C[C@H]1CCCN(Cc2cccnc2N)C1 216393551 PUYVCAGYDGDFFG-NSHDSACASA-N 283.397 0.920 0 50 CCAA O=C1COc2cc(NC(=O)[C@@H]3CC(F)(F)CN3)ccc2N1 263066475 VZBQFEULCWKEBB-VIFPVBQESA-N 297.261 0.953 0 50 CCAA O[C@@]1(CNCc2ccc(-n3cncn3)cc2)CCNC1 72425595 DUOACXWNNSJQBZ-AWEZNQCLSA-N 273.340 0.081 0 50 CCAA C[C@H](O)C(=O)NCCc1nc(Cc2ccccc2)no1 221302159 VTWNMDFHKCPKLM-JTQLQIEISA-N 275.308 0.700 0 50 CCAA C[C@H](Cn1cncn1)NC(=O)N(C)C[C@@H]1CCCC[C@H]1O 241301103 LQJGPCCOUGRFMC-FRRDWIJNSA-N 295.387 0.859 0 50 CCAA C[C@@H]1CN(C)C[C@H](C(=O)NCCc2ccccn2)O1 527537788 GSZGZRSLNZPTFN-DGCLKSJQSA-N 263.341 0.459 0 50 CCAA Cc1nc([C@@H]2CCOC2)cc(N2CCS(=O)(=O)CC2)n1 426442522 KGNHTNSVFSVEAA-LLVKDONJSA-N 297.380 0.524 0 50 CCAA O=C1CN([C@H]2CCCN(c3ccccc3F)C2=O)CCN1 179180814 WYSKFPWCTCBEQU-ZDUSSCGKSA-N 291.326 0.753 0 50 CCAA Cn1c(C(=O)O)nc2c(N3CCOCC3)nc(Cl)nc21 95704840 KUIXXXFPEHNDBS-UHFFFAOYSA-N 297.702 0.552 0 50 CCAA C[C@H](OCC1CC1)C(=O)N1CCO[C@@H](C(=O)O)C1 299750358 NFDRZKUHJIQEBT-WCBMZHEXSA-N 257.286 0.114 0 50 CCAA O=C(O)[C@@]12C[C@H]3C[C@@H](C[C@@](C(=O)O)(C1)C3=O)C2=O 247406997 OPQVOOASZKDKBH-MJFHSKSMSA-N 252.222 0.100 0 50 CCAA CC[C@H](NC(=O)CCn1nnnc1C)[C@H]1C[C@H](O)C1 252522949 BMQMAGAYCMDCPH-DCAQKATOSA-N 267.333 0.037 0 50 CCAA CC(=O)N1CC(Nc2ccc(-n3ncnn3)cc2)=CC1=O 253471800 ZYEHVUWYFYVCLE-UHFFFAOYSA-N 284.279 0.347 0 50 CCAA Cc1[nH]nc(CCC(=O)N2CCNC[C@H]2C)c1C 534646484 AZWFWCYAOMHIFJ-SECBINFHSA-N 250.346 0.779 0 50 CCAA CC1=NO[C@@](C)(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N)C1 534644146 MAPAQRQZFLHLEL-MPPDQPJWSA-N 251.330 0.737 0 50 CCAA O=C(c1ccoc1)N1CCCN(C(=O)[C@H]2CCOC2)CC1 372541756 AFRWXPWAKHSHFF-ZDUSSCGKSA-N 292.335 0.991 0 50 CCAA Cn1ncnc1CCNC(=O)c1ccc(CN)cc1 299798646 UBOJXYBGQYVWCJ-UHFFFAOYSA-N 259.313 0.246 0 50 CCAA Cc1ccc(C(=O)O)c(NC2CCN(CC(N)=O)CC2)n1 826838853 WMOBTRZKNJHXNB-UHFFFAOYSA-N 292.339 0.450 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)c1cc(=O)cc(C)o1 584888530 DPPBPHMQUCJRQW-UHFFFAOYSA-N 280.324 0.983 0 50 CCAA CC[C@@H]1CCCCN1CC(=O)NCC1(O)CCN(C)CC1 670455072 VSQRWUGFDGHWAF-CQSZACIVSA-N 297.443 0.824 0 50 CCAA Cc1ncc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)cn1 1076040815 CBRXWDCVAJCBPY-KGLIPLIRSA-N 286.339 0.722 0 50 CCAA CCNC(=O)[C@H]1CCN(CC(=O)NC2CCCCC2)C1 670469111 KSUSQDWVPAYBID-LBPRGKRZSA-N 281.400 0.893 0 50 CCAA CCN1C[C@@H](CN(C)c2ncccc2C(N)=O)CC1=O 670451084 GBEMVELPQAEXME-SNVBAGLBSA-N 276.340 0.485 0 50 CCAA C[C@H](c1ccon1)N(C)C(=O)[C@@H]1CCCN(CC(N)=O)C1 952964285 PDCJEIQGSZOQMR-GHMZBOCLSA-N 294.355 0.391 0 50 CCAA NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCNC1 216278023 HMHKJVMQSNNNKS-GXTWGEPZSA-N 287.363 0.425 0 50 CCAA Cc1cccc(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)n1 408240324 LQKVQADLJNKWAI-SECBINFHSA-N 284.341 0.285 0 50 CCAA COC(=O)[C@H]1CSCN1C(=O)[C@H]1CCCCC(=O)N1 408524008 WXEKWBPPQGVXSR-RKDXNWHRSA-N 286.353 0.120 0 50 CCAA CC[C@@H]1CN2CCC[C@H]2CN1C(=O)CCc1nn[nH]n1 631567379 GDQOPNGRNQOODL-MNOVXSKESA-N 278.360 0.218 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](CC(=O)O)C1 584880263 SOKIBMAVATWILZ-IUCAKERBSA-N 275.301 0.458 0 50 CCAA CN(Cc1nc[nH]n1)[C@H]1CCN(C(C)(C)C)C1=O 564880567 SVDPZNWIVSUVIJ-VIFPVBQESA-N 251.334 0.636 0 50 CCAA CC(C)(C)OC(=O)N1CCC(n2[nH]nnc2=N)CC1 693200141 QMFQFOVAMDVTRL-UHFFFAOYSA-N 268.321 0.658 0 50 CCAA CC(C)N(C)C(=O)N[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1615586893 RGMQSLFAEHDRSF-SNVBAGLBSA-N 279.344 0.575 0 50 CCAA CCCn1ccnc1CN(C)[C@@H]1CCS(=O)(=O)C1 215500260 NWLKDNFFEKTAPY-LLVKDONJSA-N 271.386 0.912 0 50 CCAA C[C@H]1OCC[C@@]1(O)CNC(=O)Cc1cccnc1 228704899 FQHRJAYXWUEKPY-ZWNOBZJWSA-N 250.298 0.280 0 50 CCAA Cc1cc(C)nc(N2CC[C@H](O)[C@@H](C(=O)O)C2)n1 1704342661 BFKQRKMUTZKHLP-UWVGGRQHSA-N 251.286 0.365 0 50 CCAA O=C([C@@H]1CC2CCN1CC2)N1CCc2c(O)ncnc2C1 1800413387 FJIKPLYNNVIURR-ZDUSSCGKSA-N 288.351 0.551 0 50 CCAA CNS(=O)(=O)[C@@H]1CCN(Cc2cccnc2OC)C1 373293926 QCGBXAQVLHHBSS-LLVKDONJSA-N 285.369 0.214 0 50 CCAA CCCCCOCC(=O)N1CCC[C@]1(COC)C(N)=O 585088495 KWMHECUXGUVMKZ-AWEZNQCLSA-N 286.372 0.686 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)COCC2CC2)CCO1 262772673 MMHQYTJOZZFQRI-SNVBAGLBSA-N 257.286 0.115 0 50 CCAA COC[C@H](O)CN(C)C[C@@H](O)c1ccc(F)cc1 229814097 FWXKOSUEYPFCKF-CHWSQXEVSA-N 257.305 0.798 0 50 CCAA CC(C)(C)CC(=O)N1CCN(S(C)(=O)=O)CC1 12381421 WCTDIUDVBBHEMG-UHFFFAOYSA-N 262.375 0.526 0 50 CCAA O=C1C[C@H]2CN(CC(=O)N3CCc4ccccc43)C[C@H]2N1 1857681246 FKFVVMNBAVIUNA-QWHCGFSZSA-N 285.347 0.396 0 50 CCAA Cc1ccc2nc[nH]c(=NC[C@@H]3Cc4nnc(C)n4C3)c2n1 1857707953 BEFSODSYYXGRIJ-NSHDSACASA-N 295.350 0.939 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)c2cnc(C)cn2)CC[C@H]1O 1857726534 WGWCQAAHKXBWHZ-HIFRSBDPSA-N 293.367 0.771 0 50 CCAA O=C1C[C@H](Cn2ccnc2[C@H]2[C@H]3CNC[C@H]32)CN1C1CC1 1857730513 VENZNNHJOMYFEV-IKVITTDRSA-N 286.379 0.827 0 50 CCAA CN(CC(=O)N[C@H]1C[C@H]1c1ccccc1)S(C)(=O)=O 240551620 GUWLZCVODNTMML-RYUDHWBXSA-N 282.365 0.550 0 50 CCAA CC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 663016229 YVIKSFUHQMAFSR-GFCCVEGCSA-N 277.372 0.545 0 50 CCAA Cn1cc([C@H]2CNC[C@@H]2C(=O)N2CCOC(C)(C)C2)cn1 261972943 QUSWSHJWFVJODK-OLZOCXBDSA-N 292.383 0.361 0 50 CCAA Cc1cccc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)O)C2)c1 1704300640 ZRWVFPDBTYMMNN-RYUDHWBXSA-N 299.348 0.451 0 50 CCAA CCOC(=O)[C@@]1(C)CN(c2cc(C)nc(N)n2)CCO1 866123975 PIKOHLZXRUHJON-CYBMUJFWSA-N 280.328 0.526 0 50 CCAA CC(=O)NC[C@@](O)(c1ncc(C)o1)C(F)(F)F 1875320760 JLYRAVRMBIZLKF-MRVPVSSYSA-N 252.192 0.869 0 50 CCAA Cn1cc(-c2ncc(C(=O)NS(C)(=O)=O)s2)cn1 1875391032 KKQPTWAXTMILLH-UHFFFAOYSA-N 286.338 0.233 0 50 CCAA O=S(=O)(Nc1cnn[nH]1)c1c[nH]c(C(F)(F)F)c1 1875332893 PKIPDRQYPJPKLK-UHFFFAOYSA-N 281.219 0.952 0 50 CCAA O=C(N[C@@H]1C[C@H]2C[C@@H](C(=O)O)C[C@H]21)[C@@H]1CCCO1 1875305782 ICARCPWYMDPCKU-ILAIQSSSSA-N 253.298 0.781 0 50 CCAA COc1nc(C)cc(NC2CCS(=O)(=O)CC2)n1 892804914 AAMWQRKJTVSTSB-UHFFFAOYSA-N 271.342 0.783 0 50 CCAA CN(Cc1cnon1)C[C@H]1OCC[C@H]1c1nc[nH]n1 1775957750 LBWODQJNMGSWPO-NXEZZACHSA-N 264.289 0.192 0 50 CCAA C=CS(=O)(=O)CCN1CCNC(=O)[C@H]1C(C)C 1775994372 CXEHZQPFBZNAKY-SNVBAGLBSA-N 260.359 0.001 0 50 CCAA CS(=O)(=O)c1ccc(CN2C[C@@H]3CC[C@]3(N)C2)o1 1775962551 RREOUPMNXXYNHH-CABZTGNLSA-N 270.354 0.606 0 50 CCAA COC1(c2ncnn2C)CN(c2cc(Cl)nc(C)n2)C1 1776006040 RLXXBPQHENJLKM-UHFFFAOYSA-N 294.746 0.929 0 50 CCAA CO[C@@H]1C[C@H](NCC(=O)N2CCOCC2)C12CCC2 308390246 IVYBWYRSCSOSGL-NWDGAFQWSA-N 268.357 0.392 0 50 CCAA NCC[C@H]1CN(C(=O)Cc2ccsc2)CCO1 534586984 SXAKCLYEOUSLTH-NSHDSACASA-N 254.355 0.867 0 50 CCAA CSCCN1CCN(C(=O)c2csc(N)n2)CC1 584901768 DDSKSPMVMGPYDV-UHFFFAOYSA-N 286.426 0.846 0 50 CCAA C[C@H](NC(=O)C(=O)NCC1CCNCC1)c1ccccc1 2964881 ZEINNSPTXZTQGP-LBPRGKRZSA-N 289.379 0.980 0 50 CCAA NCc1cccc(NC(=O)CCCn2c(O)nnc2O)c1 2325821671 MTYZHHZQPHHSNE-UHFFFAOYSA-N 291.311 0.567 0 50 CCAA O=C(N[C@H](CO)[C@H](O)c1ccccn1)[C@H](O)C1CCCC1 2325850287 SZZLZLMVVXLFFL-MGPQQGTHSA-N 294.351 0.143 0 50 CCAA Cn1c(=O)[nH]c(=O)c2ncn(Cc3ccccc3)c21 209525 DHXLRGUWRBIRFS-UHFFFAOYSA-N 256.265 0.472 0 50 CCAA Nc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 1696610 GADGMZDHLQLZRI-VIFPVBQESA-N 266.253 0.317 0 50 CCAA in-vitro,metabolite COCCC[C@@]1(CO)CN(Cc2cnn(C)c2)CC[C@H]1O 2356149300 TYQAOYFKSATRRK-CABCVRRESA-N 297.399 0.392 0 50 CCAA CN1C[C@]2(CCN(c3ncc4c(ncn4C)n3)C2)OC1=O 2356166675 IMUBBDNORUZEII-ZDUSSCGKSA-N 288.311 0.394 0 50 CCAA COc1ccccc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 4187195 PVPOPMOURKXIKH-SNVBAGLBSA-N 299.348 0.377 0 50 CCAA O=C(Cn1nnc2ccccc2c1=O)NCc1cccnc1 9117838 LVWUBOCABQSCSQ-UHFFFAOYSA-N 295.302 0.503 0 50 CCAA CC(C)SCC(=O)N1CCN2CCN(C)C[C@H]2C1 106275224 XDAMGRFLTHOAKV-LBPRGKRZSA-N 271.430 0.586 0 50 CCAA Cc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1 22606447 WXBXHPILQNFSDW-UHFFFAOYSA-N 256.327 0.825 0 50 CCAA CC(=O)N(C[C@H]1CCCN1Cc1cnnn1C)C1CC1 328655820 YTOXDPWBGOTIFJ-CYBMUJFWSA-N 277.372 0.790 0 50 CCAA O=c1[nH]nc(Cc2nnn[nH]2)n1-c1cccc2ccccc12 65433313 WMEALYRCIMAYBN-UHFFFAOYSA-N 293.290 0.818 0 50 CCAA O=c1c(NC[C@H]2CCc3nccn3C2)nccn1C1CC1 328642230 YHWBIVJUUWPOBP-LLVKDONJSA-N 285.351 1.449 0 50 CCAA CNC(=O)C1(C(=O)N2CC[C@@H](Oc3cccnc3)C2)CC1 123106452 IUKQRSYMFUZYNY-GFCCVEGCSA-N 289.335 0.588 0 50 CCAA O=C(NC[C@@H]1CN(c2nncs2)CCO1)c1ccoc1 253431412 PZWKTWYRLLSQQJ-SNVBAGLBSA-N 294.336 0.766 0 50 CCAA CCN1CCC(N(C)C(=O)Cc2cnccn2)CC1 215111823 DTCRHUVQSAHKKK-UHFFFAOYSA-N 262.357 0.962 0 50 CCAA C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCCCO2)C1=O 364138004 WZXRBYWGUUJBGF-CYBMUJFWSA-N 281.312 0.261 0 50 CCAA O=C(NS(=O)(=O)c1cnccn1)c1cccc(F)c1 152340581 QASVTTJWKKWQHB-UHFFFAOYSA-N 281.268 0.734 0 50 CCAA CN(Cc1cn(-c2ccccc2)nn1)C[C@@H](O)CO 216305562 HQRBKJSEGJTKRQ-CYBMUJFWSA-N 262.313 0.052 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1O)c1cc(C2CC2)n[nH]1 218872235 QYYQQOWRIZACTP-LDYMZIIASA-N 251.286 0.167 0 50 CCAA CN(Cc1n[nH]c2c1CCCCC2)C[C@@]1(O)CCNC1 77470448 ZFSFUGYRVURYIQ-OAHLLOKOSA-N 278.400 0.835 0 50 CCAA Cc1cccnc1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)O 220120919 GLKULBWVXOQFAM-MNOVXSKESA-N 294.307 0.379 0 50 CCAA CCC[C@@H]1CN(c2nccc(N)n2)C[C@H]1NC(C)=O 82092297 GMNMRQXQMFKTSG-GHMZBOCLSA-N 263.345 0.800 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)NCCN1CCNC1=O 82115558 QQDYLFOJNBPFSO-UHFFFAOYSA-N 293.371 0.111 0 50 CCAA CC(=O)NC(C)(C)C(=O)N[C@H]1CCc2c[nH]nc2C1 426622859 APSXGDWBTMWOTH-JTQLQIEISA-N 264.329 0.298 0 50 CCAA Cc1cc(CN(C)C(=O)CN2CCCCC2=O)n(C)n1 95519642 FWDYHRKORMTIEK-UHFFFAOYSA-N 278.356 0.699 0 50 CCAA Cc1n[nH]c(CCN2CC3(CCNCC3)CCC2=O)n1 91411258 TZEGTYKMCDLKPB-UHFFFAOYSA-N 277.372 0.648 0 50 CCAA CCn1cnnc1CN(C)Cc1cnc(CCOC)nc1 97547642 LEVCVVKVCMVHAC-UHFFFAOYSA-N 290.371 0.909 0 50 CCAA Cn1ncc2cc(NC(=O)NC[C@H](O)CO)ccc21 96131657 GBTRYHOVHKIEBW-JTQLQIEISA-N 264.285 0.048 0 50 CCAA O=C1NCCCc2[nH]c(-c3noc([C@@H]4CCCO4)n3)nc21 95529539 NZMGQVJUBAKYAZ-QMMMGPOBSA-N 289.295 0.987 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cccnc4)C(=O)[C@H]13)O2 239377537 OBRIIHPXQLEJSC-PUHVVEEASA-N 272.260 0.453 0 50 CCAA Cc1c[nH]c(CN(C)c2cc([C@H]3C[C@@H](O)C3)nc(N)n2)n1 244633679 GHPZGGUQCKWINI-AOOOYVTPSA-N 288.355 0.965 0 50 CCAA CSc1nc(C)cc(-n2cnc(SCC(N)=O)n2)n1 524734814 QBZDFJGXAVCVCQ-UHFFFAOYSA-N 296.381 0.665 0 50 CCAA CCCn1nccc1S(=O)(=O)NCC1CCNCC1 534635530 LWQFEBUKMJWPLD-UHFFFAOYSA-N 286.401 0.571 0 50 CCAA O=C(NCc1nc(Cc2ccccc2)no1)[C@@H]1C=CCN1 534637807 LYMGYRZPNFUDKS-LBPRGKRZSA-N 284.319 0.805 0 50 CCAA CCc1csc(CNC(=O)c2nc(=O)n(C)[nH]2)n1 1940198010 HKLJXRFSEXMUKC-UHFFFAOYSA-N 267.314 0.057 0 50 CCAA NC(=O)c1ccc(OCC(=O)N2CC[C@@H](C(=O)O)C2)cc1 269217552 YRPJOULUBVYGSN-SNVBAGLBSA-N 292.291 0.097 0 50 CCAA CNC(=O)N[C@H]1CCN(C[C@@](C)(O)C(F)(F)F)C1 407958915 SCLXSFXYNAHTGA-IONNQARKSA-N 269.267 0.303 0 50 CCAA C[C@]1(C(F)F)CN(C(=O)C2=CCS(=O)(=O)C2)CCO1 630078707 TWMWAMFZLPAAOE-LLVKDONJSA-N 295.307 0.224 0 50 CCAA CC[C@@H](COC)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 275479525 IHFYTKVGIHHHDF-SCRDCRAPSA-N 280.372 0.754 0 50 CCAA Cn1cncc1CNc1nccc(=N[C@H]2CCCOC2)[nH]1 585085244 NGSCGGLLDIDORO-NSHDSACASA-N 288.355 0.835 0 50 CCAA CS(=O)(=O)c1ccc(NCCc2cc[nH]n2)nc1 714541218 TZOYNLIWIPQZHA-UHFFFAOYSA-N 266.326 0.863 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H]1CCO[C@@H](C(C)C)C1 657604333 LSKJRBCLEVZXJV-WUHRBBMRSA-N 291.413 0.592 0 50 CCAA COc1cc(OC)n(CC(=O)NCc2ccco2)n1 1615587692 JFRFVMYRCYGUOL-UHFFFAOYSA-N 265.269 0.810 0 50 CCAA N[C@@H]1CC12CC(NC(=O)c1cccn(C3CC3)c1=O)C2 1615546947 QBOGBAARGRLADW-YAKODHLKSA-N 273.336 0.793 0 50 CCAA CO[C@H]1COC[C@H]1NC(=O)NC1Cc2ccccc2C1 1616003773 XNBGFYYPIATEBP-KGLIPLIRSA-N 276.336 0.867 0 50 CCAA CN1CCN(CCC(=O)N(C)C[C@@H]2CCCCN2C)CC1 1506428563 QZPARURUWWWSGL-HNNXBMFYSA-N 296.459 0.567 0 50 CCAA CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)CC)CC1 262479 YFSKKGCANSBGHO-SNVBAGLBSA-N 276.402 0.963 0 50 CCAA Cc1c(C(=O)N[C@H]2CCSC2)nnn1[C@@H]1CCNC1 1875267323 UYADPEFOSUMXBC-VHSXEESVSA-N 281.385 0.356 0 50 CCAA CCOc1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)O)cn1 262399635 JTTSALZCLNCHRH-QMMMGPOBSA-N 288.325 0.574 0 50 CCAA CN1C(=O)NCC12CN(C(=O)CCc1ccsc1)C2 1857700955 DSCOPHAIESIEIM-UHFFFAOYSA-N 279.365 0.917 0 50 CCAA CNC(=O)c1[nH]cnc1-c1nnc2n1CCS[C@@H]2C 1775981600 MISULTZAOTZKBD-ZCFIWIBFSA-N 278.341 0.836 0 50 CCAA COCCC(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 12612030 FTPZLHQBZMSBMW-CQSZACIVSA-N 290.363 0.983 0 50 CCAA CCn1nc(C)c(S(=O)(=O)N(C)[C@H]2CCOC2)c1C 266220426 WPGFUKATPKWVIV-NSHDSACASA-N 287.385 0.929 0 50 CCAA CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)OC(C)(C)C 4943957 NJHZZPIDXJKZKV-VIFPVBQESA-N 286.328 0.675 0 50 CCAA in-vitro CC1(C)CN(c2ncnc3n[nH]cc23)C[C@@H](CO)O1 643193155 FVNMCSSOFLKTDZ-QMMMGPOBSA-N 263.301 0.329 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccco1 643954361 UVGNLLYCENHSNN-ZDUSSCGKSA-N 266.297 0.647 0 50 CCAA CCN1C[C@H]2CN(c3ncc(OC)cn3)C[C@@]2(C(=O)O)C1 249681511 BKQTUOULZRBPGD-HZMBPMFUSA-N 292.339 0.328 0 50 CCAA O=C(N[C@H]1CNC[C@@H]1O)NC12CC3CC(CC(C3)C1)C2 699944541 VKTFAKGZTZJBHT-KZDYZFFHSA-N 279.384 0.587 0 50 CCAA O=C1NC2(CCCC2)C(=O)N1CCN1CCn2ccnc21 931527355 OCIIZCDEOWZQQF-UHFFFAOYSA-N 289.339 0.568 0 50 CCAA OC[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O 1139089557 PVEFHCVGLIDZDN-OLZOCXBDSA-N 289.339 0.042 0 50 CCAA Cn1cc([C@@H]2CCO[C@@H]2C(=O)Nc2ccnnc2)cn1 1875276042 GIWBSDFTIGIGRH-RYUDHWBXSA-N 273.296 0.721 0 50 CCAA C[C@@]1(CNC(=O)c2ccc(C(=O)O)nc2)CC(F)(F)CN1 1875296223 KPTDAYQBKAAUEV-LBPRGKRZSA-N 299.277 0.897 0 50 CCAA CCc1nnc(O)c(C(=O)NC/C=C/C(=O)OC)c1CC 1875273255 JWLHGBUFKQOTAU-VOTSOKGWSA-N 293.323 0.766 0 50 CCAA O=C(O)c1cc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)[nH]n1 1875345260 XYAMRJXLTTYCFZ-RNCFNFMXSA-N 281.312 0.536 0 50 CCAA C[C@H]1C[C@H](C(=O)Nc2cnc(N3CCNCC3)nc2)CO1 1875315461 WCYAKFQZWWQUIK-QWRGUYRKSA-N 291.355 0.250 0 50 CCAA CCN1CC[C@H](Nc2ccc(C(=O)OC)nn2)C1=O 253392979 LRAGMRMIUMAIJQ-QMMMGPOBSA-N 264.285 0.296 0 50 CCAA COC[C@@H]1CN(C(=O)c2ccc(C(=O)O)cc2)CCO1 262304661 OKLWPNSNEIVTBV-LBPRGKRZSA-N 279.292 0.872 0 50 CCAA O[C@H]1C[C@@H](O)C12CCN(c1ncnc3[nH]ccc13)CC2 2325792939 XFLWMXWAMORWJV-PHIMTYICSA-N 274.324 0.670 0 50 CCAA CC1=C(C(N)=O)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 71765 RLGVDUOSUQATTQ-LLVKDONJSA-N 275.264 0.529 0 50 CCAA COC(=O)CCC(=O)Nc1ccc(C(N)=O)cc1 125201 UZJKBFICTQSPHA-UHFFFAOYSA-N 250.254 0.677 0 50 CCAA CCOC(=O)[C@H](OCC)[C@@H](OCC)C(=O)OCC 1690574 KWALRSPAGVOALG-NXEZZACHSA-N 262.302 0.923 0 50 CCAA Cn1ccc2ccc(C(=O)N3C[C@@H]4CNC(=O)[C@@H]4C3)nc21 2356150817 AEUDCEREAOGWKC-WDEREUQCSA-N 284.319 0.391 0 50 CCAA CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 2872105 JYBFFRNJGFPPSO-QMMMGPOBSA-N 272.326 0.108 0 50 CCAA NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 3612448 COVQECLJZUYETG-UHFFFAOYSA-N 298.364 0.725 0 50 CCAA O=C(Cn1cnc2ccccc2c1=O)NC[C@H]1CCCO1 6402354 HOYQOKHSWWRNDR-LLVKDONJSA-N 287.319 0.692 0 50 CCAA O=c1cn[nH]c(N2CCN(c3ccccc3)CC2)n1 8915108 ADYUPUDHTALFDA-UHFFFAOYSA-N 257.297 0.492 0 50 CCAA O=C(CCN1CCCCCCC1)NC[C@@H](O)CO 55325743 VMFDDNHHHCISAO-GFCCVEGCSA-N 258.362 0.112 0 50 CCAA CN(C)C(=O)CN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 100509101 JWGUQAPDQZSZOS-BDAKNGLRSA-N 270.716 0.592 0 50 CCAA COC[C@@H](C)S(=O)(=O)NC(=O)c1ncoc1C 113698475 AZRLAQAESWVVTH-ZCFIWIBFSA-N 262.287 0.078 0 50 CCAA CC1(C)CN(Cc2cn(C[C@@H]3CCCNC3)nn2)CCO1 23505089 DCGLPXRPZQXXOQ-CYBMUJFWSA-N 293.415 0.889 0 50 CCAA C[C@@H]1CN(C[C@@H](O)c2cccc(Cl)c2)C[C@@H](C(N)=O)O1 229947665 QDBSRRYYZQYPOA-WQAKAFBOSA-N 298.770 0.948 0 50 CCAA COC(=O)Cc1cccc(NC(=O)CN2CCCC2=O)c1 121373156 AZTKXJPWOYSSSS-UHFFFAOYSA-N 290.319 0.963 0 50 CCAA COc1cc(N2CCC[C@H]2Cn2ccnc2)nc(N)n1 32580899 IOPILCHVKSNNBG-JTQLQIEISA-N 274.328 0.933 0 50 CCAA C[C@H](Cc1cnccn1)NC(=O)CCCn1cncn1 219156885 RTOWQBFDDQADAV-LLVKDONJSA-N 274.328 0.596 0 50 CCAA CO[C@H]1CN(C(=O)c2cn3ccsc3n2)CC[C@H]1N 71748043 UYTUZUDUWIRQQS-SCZZXKLOSA-N 280.353 0.584 0 50 CCAA CC[C@H](NS(=O)(=O)N1CCC1)[C@H](O)C(C)C 332029136 JHWUZKLUTRMFMB-VHSXEESVSA-N 250.364 0.322 0 50 CCAA O=C(NC1CCC2(CCOCC2)CC1)[C@H]1C[C@H](O)CN1 357917954 IVQXTRWBNVEBMC-QWHCGFSZSA-N 282.384 0.565 0 50 CCAA O=C1CCCc2occ(C(=O)N3CCC[C@@](O)(CO)C3)c21 72164740 XYOIWVKZYXBUNS-HNNXBMFYSA-N 293.319 0.758 0 50 CCAA CO[C@@H](C(=O)N1CCC[C@@H](n2ccnn2)C1)C1CC1 333222486 AGXIULDZFCRAKK-VXGBXAGGSA-N 264.329 0.867 0 50 CCAA O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1cn[nH]c1 219080960 UMAFCLSSOTVIMA-STQMWFEESA-N 279.340 0.971 0 50 CCAA Cc1nccc(=NCC2(N3CCOCC3)CCOCC2)[nH]1 334029141 JODKNMUOWGWHOH-UHFFFAOYSA-N 292.383 0.500 0 50 CCAA CSC1(CNC(=O)[C@H]2C[C@@H]2C(=O)O)CCOCC1 262364418 DSXSWARSCJYITJ-IUCAKERBSA-N 273.354 0.736 0 50 CCAA O=C(c1ncn(-c2ccccc2)n1)N1CC(NC2COC2)C1 1363769486 SWACJGOLWOUICT-UHFFFAOYSA-N 299.334 0.080 0 50 CCAA CC(C)N1C(=O)[C@H]2C=C[C@@H](C)[C@H](C(=O)O)[C@H]2C1=O 238852824 HGUUWQAHRIKVEZ-KATARQTJSA-N 251.282 0.903 0 50 CCAA in-vitro CCn1nccc1CCN1CC[C@@](O)(c2c[nH]nn2)C1 284471002 AHMOTCYPZQPKIN-ZDUSSCGKSA-N 276.344 0.157 0 50 CCAA CCc1n[nH]c(=O)c(C(=O)N[C@@H]2CCCOC2)c1CC 177347518 NVHLCSUEZCAJFM-SECBINFHSA-N 279.340 0.804 0 50 CCAA CN1CCCN(C(=O)c2cnc(C(C)(C)C)[nH]c2=O)CC1 91848337 REILMUULHVGNSY-UHFFFAOYSA-N 292.383 0.845 0 50 CCAA CNC(=O)c1noc(CN(C)[C@@H](C)Cc2cnccn2)n1 244673728 HUMHESMJGKQUPK-VIFPVBQESA-N 290.327 0.282 0 50 CCAA CCn1ncnc1CN1CCC[C@H]2C(=O)N(C)C[C@H]21 299741304 DOYBWBCHYMSNED-GHMZBOCLSA-N 263.345 0.351 0 50 CCAA CCC1(CC)[C@H](NC(=O)[C@@H]2COCCN2)C[C@H]1OC 299739218 LXBFHAQJBCDGRC-QJPTWQEYSA-N 270.373 0.685 0 50 CCAA CCCc1nnc(NC(=O)CN2CC(O)C2)s1 252484903 GKGVZECDSNWVTP-UHFFFAOYSA-N 256.331 0.106 0 50 CCAA O=C(NCc1cnc2cnccn12)[C@H]1CCCNC1 534649331 SBVAHOCJILXCLC-JTQLQIEISA-N 259.313 0.345 0 50 CCAA COC[C@H](NC(=O)C1(C)COC1)c1ccccn1 534587815 YYIVHKVVYOQNRK-NSHDSACASA-N 250.298 0.922 0 50 CCAA Cc1cc(C)n2nc(C)c(C(=O)NCCn3cncn3)c2n1 263849421 UWIZHFAXIDSSSJ-UHFFFAOYSA-N 299.338 0.676 0 50 CCAA CN(CC(=O)N1CCSCC1)C1CCNCC1 534582788 AELFCWQYBTTWRY-UHFFFAOYSA-N 257.403 0.246 0 50 CCAA CCc1noc(CCNS(=O)(=O)c2c(C)n[nH]c2C)n1 823569491 RHHQTGPFNICMMK-UHFFFAOYSA-N 299.356 0.493 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCSC 584898705 IPDNCKGWMWFOHZ-QWRGUYRKSA-N 260.403 0.963 0 50 CCAA CCCOC[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 584886195 QEPGWRHCKDUTHG-LLVKDONJSA-N 292.401 0.201 0 50 CCAA CN(C)C(=O)[C@@H]1CN(C(=O)CCC(F)(F)F)CCO1 670452480 KJNIIRJBNVAAJG-QMMMGPOBSA-N 282.262 0.645 0 50 CCAA C=CC(=O)NCCNC(=O)c1sc(N(C)C)nc1C 1341491158 STXPFPKPSCZYEM-UHFFFAOYSA-N 282.369 0.550 0 50 CCAA Cn1ccnc1C(=O)N1CCC(N2CCOCC2)CC1 952965602 SFFPOXOIDTWEHW-UHFFFAOYSA-N 278.356 0.357 0 50 CCAA NC(=O)c1cc(N2CCC[C@H](C(=O)NC3CC3)C2)ncn1 1472677113 HENGYBFTUJLAMB-VIFPVBQESA-N 289.339 0.071 0 50 CCAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N(C)[C@@H](C)CS(C)(=O)=O 407969572 XZARPDWCUHFBNH-MMWGEVLESA-N 277.386 0.691 0 50 CCAA CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)N1CCCCCC1 408388576 VVMLIYCSWURQOQ-STQMWFEESA-N 281.400 0.893 0 50 CCAA CO[C@H](C)C(=O)OCCn1nc2ccccn2c1=O 170652948 AHQWOENMESYJTK-SECBINFHSA-N 265.269 0.074 0 50 CCAA CC[C@]1(O)CCCN(CCCS(=O)(=O)N(C)C)C1 640032649 KBGVANJYYMZLFH-LBPRGKRZSA-N 278.418 0.505 0 50 CCAA CN1CC[C@@H](Nc2cccc([C@@H]3CNC(=O)C3)c2)C1=O 676410813 HDZLSDWSQVFYMC-WCQYABFASA-N 273.336 0.933 0 50 CCAA CC(C)N(C)C(=O)N1C[C@@H](N)[C@H](c2cn(C)cn2)C1 1615057739 JSCZLQHTTRHDAF-GHMZBOCLSA-N 265.361 0.607 0 50 CCAA C[C@H]1NC(=O)[C@H](Cc2ccccc2Br)NC1=O 1615546933 PZHIARUTDPAHQG-XCBNKYQSSA-N 297.152 0.995 0 50 CCAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)NCC(=O)O 1506415579 PLDBOZYMUZUCDX-VIFPVBQESA-N 285.344 0.359 0 50 CCAA CN1C[C@@H](CNc2ncc(F)c(N(C)C)n2)CC1=O 1506402095 MBYSEUDXGAXTIX-MRVPVSSYSA-N 267.308 0.572 0 50 CCAA CSCC(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529153187 RZOPFAWDFJVAJK-ZYHUDNBSSA-N 266.366 0.806 0 50 CCAA Cc1ccc(O)cc1C(=O)N1CC[C@H](C(=O)O)[C@H](O)C1 1704338569 VIKQTPBQNCJLFJ-CMPLNLGQSA-N 279.292 0.608 0 50 CCAA CN(C)c1cnc(C(=O)N2CCC[C@@H](N(C)C)C2)cn1 408078488 CJXUMCYFELHNAO-LLVKDONJSA-N 277.372 0.709 0 50 CCAA Cc1cnn(CCC(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1 414434883 ADWOQZDKAAYPAN-AOOOYVTPSA-N 251.286 0.561 0 50 CCAA COC(=O)[C@H]1CCN(C(=O)NCc2ccncc2)C1 339302770 FPROCYBUVQDTQE-NSHDSACASA-N 263.297 0.786 0 50 CCAA CCC(N)(CC)CNS(=O)(=O)[C@H]1CCCOC1 252495173 OMCNFVXGJWLMBB-JTQLQIEISA-N 264.391 0.602 0 50 CCAA CNC(=O)O[C@@H](C)CNC(=O)COc1ccccc1 12383509 BAWOGKLTUMYGOH-JTQLQIEISA-N 266.297 0.926 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccco1 643954360 UVGNLLYCENHSNN-CYBMUJFWSA-N 266.297 0.647 0 50 CCAA O=C1C[C@@H](c2ccc(-c3ncn(CCO)n3)cc2)CN1 1875241521 BEGRHLJTNWZMQU-GFCCVEGCSA-N 272.308 0.541 0 50 CCAA C[C@H](NC(=O)[C@@H]1COCCO1)c1ncc(C(=O)O)s1 621609191 HPGDMURPOFJZGC-BQBZGAKWSA-N 286.309 0.434 0 50 CCAA CN1C[C@H]2CN(c3c(F)cccc3S(N)(=O)=O)C[C@H]2C1 631249663 CDQCRPVQRFEIRW-AOOOYVTPSA-N 299.371 0.471 0 50 CCAA Cc1cc(CN2CCN([C@@H](C(=O)O)C3CC3)CC2)no1 635017002 QJTLTAKXTZOPIB-CYBMUJFWSA-N 279.340 0.964 0 50 CCAA COc1cccc(CCNC(=O)[C@@]2(C)CCC(=O)NC2)n1 330388393 NITXLXPWWJOTIF-HNNXBMFYSA-N 291.351 0.665 0 50 CCAA C[C@H](CNC(=O)c1c(C2CC2)cnn1C)C(=O)O 659134184 UEXLHVVANGIKQQ-SSDOTTSWSA-N 251.286 0.748 0 50 CCAA CCOc1cncc(N2C[C@@H](C(N)=O)CC[C@H]2C)n1 253370449 RAHROYNPRCCGDY-ZJUUUORDSA-N 264.329 0.966 0 50 CCAA CN[C@H]1CCN(C(=O)Cc2ccn(CC(F)(F)F)n2)C1 911656392 MONJISUZKHAFDC-JTQLQIEISA-N 290.289 0.808 0 50 CCAA Cc1nc(O)c2c(n1)CN(CCO[C@@H]1CCOC1)C2 931311199 FRUJEVFWRYKTLD-SNVBAGLBSA-N 265.313 0.612 0 50 CCAA NC(=O)c1cn(Cc2cccc3c2CCOC3)nn1 871737970 QOPMLRPXCZEXNP-UHFFFAOYSA-N 258.281 0.498 0 50 CCAA O=C1CCN(C(=O)c2cccc(N3CCCC3=O)c2)N1 1875286157 NBCIUWRZVYWAJR-UHFFFAOYSA-N 273.292 0.691 0 50 CCAA C=CC(=O)N[C@H]1CS(=O)(=O)[C@H]1c1ccccc1 1875375769 IAMAIQMSDFGPKR-JQWIXIFHSA-N 251.307 0.827 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@H](c1cnn(C)c1)N(C)C 1875375863 QFEVDAMGOCOBRH-KTRBRXNASA-N 279.388 0.257 0 50 CCAA COC[C@]1(C(=O)O)CCCN1CC(=O)NC1CCCC1 643879980 DPFKMEHZEINVCY-AWEZNQCLSA-N 284.356 0.611 0 50 CCAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1ccc[nH]1 888097403 IGPHVTGHHSLYBQ-JTQLQIEISA-N 266.297 0.872 0 50 CCAA Cc1cn(C(C)C)[nH]c1=NC(=O)N1CC[C@H]2C[C@H]1C(=O)N2 2325781639 QVLMEAUNEVOEME-QWRGUYRKSA-N 291.355 0.689 0 50 CCAA CCOC(=O)[C@@H]1CN(C(=O)[C@H](N)[C@H]2CC=CCC2)CCO1 2325829148 AGHFZOKTMLPKPV-RWMBFGLXSA-N 296.367 0.461 0 50 CCAA COCCn1cc(S(=O)(=O)Nc2cnc(C)cn2)cn1 903655721 HDDXGYFFJSJMBW-UHFFFAOYSA-N 297.340 0.429 0 50 CCAA COC(=O)CCC(=O)NN1C(=O)c2ccccc2C1=O 288195 SUAXSJAOAHNICU-UHFFFAOYSA-N 276.248 0.267 0 50 CCAA Cc1ccc2nc(N3CCOCC3)c(C=O)c(=O)n2c1 444866 FEWCVLOMZJNYMB-UHFFFAOYSA-N 273.292 0.652 0 50 CCAA Nc1cc(=O)[nH]c(SCC(=O)Nc2nccs2)n1 4959369 GZZAIPPCBLMMJX-UHFFFAOYSA-N 283.338 0.539 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H](C)[C@@H](C(=O)O)C1 223791449 JWTNYEDOSIKJAX-RCOVLWMOSA-N 287.341 0.368 0 50 CCAA CN1CC(=O)N(CC(=O)NC2CCCCCC2)C1=O 8133525 BISVULPEOTUJBY-UHFFFAOYSA-N 267.329 0.719 0 50 CCAA C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccn[nH]1 113085336 CEOWZVISFPVZEX-YUMQZZPRSA-N 259.331 0.303 0 50 CCAA CCN1CCN(C(=O)CN(C)C)C[C@H]1c1ncc[nH]1 356037357 QEEORUWGMVNPBO-NSHDSACASA-N 265.361 0.177 0 50 CCAA Cn1nccc1NC(=O)Cn1cc(-c2ccnc(N)n2)cn1 63869876 RXEAYTIKPDWAPB-UHFFFAOYSA-N 298.310 0.295 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)C1CCOCC1 67743856 KNBNRQRYTIRWKT-OLZOCXBDSA-N 297.399 0.210 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)O)cc1 153391 UAFPTDLCLKLJKA-ONGXEEELSA-N 285.321 0.204 0 50 CCAA biogenic Cn1ccnc1CCNC(=O)C(=O)c1cccnc1 219671017 LGHBKAKOWRGLFU-UHFFFAOYSA-N 258.281 0.357 0 50 CCAA O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CNCCO1 188038531 MJMSJUYWLZEUIX-GFCCVEGCSA-N 274.324 0.210 0 50 CCAA CC(=O)C[C@H]1COCCN1C(=O)CCc1cnc[nH]1 331054330 JWNRDBMRSGSURS-LBPRGKRZSA-N 265.313 0.549 0 50 CCAA Cc1n[nH]c(C)c1CCN(C)C(=O)C1(C(N)=O)CC1 216438042 ZDEFDCLWSOZQGR-UHFFFAOYSA-N 264.329 0.293 0 50 CCAA OC[C@]1(O)CCCN(Cc2cccc3nonc23)CC1 72167122 CBKCNDQYIWCZGS-AWEZNQCLSA-N 277.324 0.932 0 50 CCAA Cc1ccoc1C(=O)N1CCC[C@](O)(Cn2ccnn2)C1 284657982 PJOSUVZNXAYNQW-CQSZACIVSA-N 290.323 0.847 0 50 CCAA CCC[C@@]1(CO)CCN(C(=O)C2(C(=O)NC)CC2)C1 378142901 BDMIJMIMFPGUJV-CYBMUJFWSA-N 268.357 0.524 0 50 CCAA CCCO[C@H](C)C(=O)NCCc1noc(CO)n1 221251109 IJACVLFRGQNTIV-MRVPVSSYSA-N 257.290 0.036 0 50 CCAA CC(=O)NCc1cc2n(n1)CCN(c1nnc(C)s1)C2 426613658 RLBCVTNKROXZCP-UHFFFAOYSA-N 292.368 0.699 0 50 CCAA CN(C)Cc1ccc(C(=O)NCCn2ccnn2)cc1 426666958 HPIRUCWONNPAOR-UHFFFAOYSA-N 273.340 0.770 0 50 CCAA CCC1=NO[C@H](C(=O)NCCCn2ccccc2=O)C1 220069958 CYUKFHADVTXSEQ-LBPRGKRZSA-N 277.324 0.910 0 50 CCAA CCc1noc(CNC(=O)N2CCO[C@H](CCOC)C2)n1 426623202 JYIFOBRTUGRVKX-SNVBAGLBSA-N 298.343 0.579 0 50 CCAA CC(C)n1cc(C(=O)N[C@]2(C(=O)O)CCNC2)cn1 95503193 HKOXYDKSOFHZET-GFCCVEGCSA-N 266.301 0.011 0 50 CCAA COCCNC(=O)C[C@@H]1C(=O)N=C2Nc3ccccc3N21 95117652 XAJHNFGMEDVONW-LLVKDONJSA-N 288.307 0.336 0 50 CCAA CC(=O)NC(C)(C)C(=O)NC[C@H](C)Oc1cccnc1 426387078 KNKTXVMZOMEDFG-JTQLQIEISA-N 279.340 0.880 0 50 CCAA Cc1cc(C)n(CC(=O)NC[C@H](CO)C(C)C)c(=O)n1 330681253 ORHZTAGEVDRKKD-GFCCVEGCSA-N 281.356 0.241 0 50 CCAA CCC[C@]1(CO)CCCN(Cc2cc(=O)[nH]c(O)n2)C1 91411639 XUQBKPALIUKCKB-AWEZNQCLSA-N 281.356 0.850 0 50 CCAA CC(=O)Nc1ccsc1C(=O)N1CC[C@@](C)(O)[C@@H](O)C1 97468578 KUUFGZHGLWNLMB-GXFFZTMASA-N 298.364 0.664 0 50 CCAA CNC(=O)[C@H]1CN(CCc2ccc(F)c(F)c2)CCO1 180245098 LUUJMJDEIABMCK-CYBMUJFWSA-N 284.306 0.954 0 50 CCAA N[C@@H]1CCN(C(=O)CCN2CCCCCC2=O)C1 534632983 KPSIQPPOIMPKSK-LLVKDONJSA-N 253.346 0.339 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NC(=O)Cc2nonc2C)n1 299803032 UVWDMCHUEDLGRY-SECBINFHSA-N 277.328 0.939 0 50 CCAA Cc1cc(C(=O)NCCc2nc(N)cc(O)n2)nc(C)n1 827582922 PHXPWJBTMKKQPC-UHFFFAOYSA-N 288.311 0.144 0 50 CCAA CCN1CCC(CN[C@@H](C)CCO)(N(C)C)CC1 828741531 KTFFBYFSCXMIGO-ZDUSSCGKSA-N 257.422 0.763 0 50 CCAA CNc1ncccc1C(=O)N1CCOC[C@H](CN(C)C)C1 824095178 BTAFFEQSLFXGRM-GFCCVEGCSA-N 292.383 0.774 0 50 CCAA COc1cccc2c(=O)n(C[C@H](O)CN(C)C)cnc12 584885386 QOOCLNYWHZPZQR-SNVBAGLBSA-N 277.324 0.328 0 50 CCAA CN1CCOC[C@@H](CNC(=O)C(=O)Nc2ccccc2)C1 670459800 CWLPMYQRFOROBS-LBPRGKRZSA-N 291.351 0.320 0 50 CCAA Cc1nonc1CNS(=O)(=O)CC1CCCC1 765195893 UIEHWSFUBLQNOV-UHFFFAOYSA-N 259.331 0.988 0 50 CCAA CN(C)C[C@@]1(O)CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 1548748919 ZOKZLZLKQOXLFZ-ABAIWWIYSA-N 292.383 0.355 0 50 CCAA CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1nncn1C 408241798 MKOSLGNXHVRQAD-SNVBAGLBSA-N 279.344 0.791 0 50 CCAA O=C(NS(=O)(=O)C1CCC1)c1cc2n(n1)CCCC2 408491800 IIKUPXHDCOUROC-UHFFFAOYSA-N 283.353 0.832 0 50 CCAA O=C(c1ccc2c(c1)COB2O)N1CC[C@H](n2cccn2)C1 584993143 WHQBVPBUPZVIEP-ZDUSSCGKSA-N 297.123 0.188 0 50 CCAA CC1(S(=O)(=O)N[C@]2(C(=O)O)CCSC2)CC1 564926981 NZVYDRHDDUMQRZ-SECBINFHSA-N 265.356 0.419 0 50 CCAA CC(C)n1nnnc1Cn1nnnc1C(C)(C)C 195517524 VJEUMQIHMWGRRP-UHFFFAOYSA-N 250.310 0.586 0 50 CCAA CC(C)[C@H](O)CN1CCC[C@]2(CCS(=O)(=O)C2)C1 660734098 IFRWLENUUZITDU-OLZOCXBDSA-N 275.414 0.904 0 50 CCAA Cc1cc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)oc1C 1615038807 MUAGJCLGOAEDHY-JTQLQIEISA-N 286.353 0.647 0 50 CCAA CC(C)(C(=O)N[C@H]1C[C@H](N)C12CCC2)n1ccc(N)n1 1615555290 POYJMAGVQINBBG-UWVGGRQHSA-N 277.372 0.587 0 50 CCAA CCOCCc1nnc(NC(=O)[C@H]2CC(=O)N(C)C2)s1 1529155142 OTDDSOKDVXGIGX-QMMMGPOBSA-N 298.368 0.534 0 50 CCAA Cc1noc(C)c1CC(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1704307977 BBFYJEKUJLNPQP-STQMWFEESA-N 293.367 0.623 0 50 CCAA N=c1[nH]nc(N2CCOc3ccc(CO)cc3C2)s1 1857670730 FSHZLBANCROJOO-UHFFFAOYSA-N 278.337 0.842 0 50 CCAA CC1CCN(CC(=O)N2C[C@H]3CC[C@H]2CN3)CC1 335041417 KHLOZWMGMJICBL-OLZOCXBDSA-N 251.374 0.681 0 50 CCAA CC(C)(C)OC(=O)N[C@H]1CC(=O)N(CC(=O)O)C1 12648470 OSDJTBDQUFFDTG-ZETCQYMHSA-N 258.274 0.197 0 50 CCAA in-vitro C[C@@H]1CN(C[C@@H](O)C(F)(F)F)CCN1CC(C)(C)O 249427288 YHPUGUGVQDEKGT-NXEZZACHSA-N 284.322 0.687 0 50 CCAA CCn1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4250921 SHYFTMONKHOEJN-UHFFFAOYSA-N 261.285 0.015 0 50 CCAA Cc1ccc(Cl)cc1C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875247809 PDPZBGUJMYWFRE-FDYHWXHSSA-N 297.738 0.905 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(C(C)C)no1 643941543 JKAGQHAXEWBKNG-CQSZACIVSA-N 295.339 0.905 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(C)n1C 644060091 LIUNKHBVLGOMTN-HNNXBMFYSA-N 293.367 0.701 0 50 CCAA NS(=O)(=O)N1CCC(CN2CCc3ccccc32)CC1 369179838 GQJHONMRBOMUHQ-UHFFFAOYSA-N 295.408 0.965 0 50 CCAA O=C(c1ccoc1C1CC1)N1CCO[C@H](c2nn[nH]n2)C1 375991347 ADLZYNJHHGQUQN-JTQLQIEISA-N 289.295 0.884 0 50 CCAA O=C(O)C[C@@H](NC(=O)[C@@H]1COCCO1)c1ccc(F)cc1 262310381 NQEQKXWPOVUHOG-NEPJUHHUSA-N 297.282 0.873 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1cccnc1)C2 1704307900 LYSRCKPBUHEPEU-KBPBESRZSA-N 275.352 0.413 0 50 CCAA CO[C@H](C)C(=O)N[C@H](c1nc(=O)o[nH]1)C(C)(C)C 911587110 ORNULDHJQHNUMN-RNFRBKRXSA-N 257.290 0.601 0 50 CCAA Cn1nnc(NC(=O)NCCc2c(F)cccc2F)n1 932275448 NPEXGQMPGLSULU-UHFFFAOYSA-N 282.254 0.853 0 50 CCAA COC(=O)c1ccc2cnn(CC(=O)O)c(=O)c2c1 1857784569 MHSWSZVONVVAKF-UHFFFAOYSA-N 262.221 0.268 0 50 CCAA Cc1nc(N2CCN(C(=O)OCCF)CC2)n[nH]1 874433495 KDWABOPJANXRSZ-UHFFFAOYSA-N 257.269 0.341 0 50 CCAA COC(=O)CC1(NC(=O)C2CC2)CCN(C)CC1 1875262742 VCSDZKWSDOTQER-UHFFFAOYSA-N 254.330 0.540 0 50 CCAA Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cnnn2C)cn1 888095206 UAKMGRZHANCFKO-CMPLNLGQSA-N 290.327 0.279 0 50 CCAA O=C1CC[C@@H]2CN(c3nccn(C(F)F)c3=O)CC[C@H]2N1 1773101511 BNKXWKZJVMUGRE-RKDXNWHRSA-N 298.293 0.743 0 50 CCAA COCC1(CNc2ccnc(N(C)C)n2)CCNCC1 261769718 OPMPHEXSZDFNMY-UHFFFAOYSA-N 279.388 0.971 0 50 CCAA C[C@]1(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)CCCOC1 408164461 LXBDWRJGNGUQST-JQWIXIFHSA-N 290.385 0.083 0 50 CCAA C[C@@H]1CCCCN1S(=O)(=O)N(C)CC1(O)CCC1 408215048 NWADVHQLVSNZSM-LLVKDONJSA-N 276.402 0.952 0 50 CCAA CN(CC1CC1)C[C@H]1CCN(Cc2nnn(C)n2)C1 328616711 STBHHTCFCBAJNZ-GFCCVEGCSA-N 264.377 0.374 0 50 CCAA CCN1CCC[C@H]1CNC(=O)CCc1nc(O)n[nH]1 2100483156 VPVDVJYXUFQRSP-VIFPVBQESA-N 267.333 0.043 0 50 CCAA CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O 186570 XKLALKAMESFYAZ-SECBINFHSA-N 261.274 0.967 0 50 CCAA Cc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)o1 376637 OILGGZKDKPOMNA-UHFFFAOYSA-N 263.253 0.238 0 50 CCAA CCCN(CCO)c1cc(N2CCC[C@@H](CO)C2)ncn1 245666358 ADSLQTSTULZUKC-CYBMUJFWSA-N 294.399 0.894 0 50 CCAA CCC(=O)c1ccc(OCC(=O)N2CNC(=O)C2)cc1 55358283 XVCZUMRFNBEZDD-UHFFFAOYSA-N 276.292 0.574 0 50 CCAA Cc1noc(C)c1-n1c([C@H]2CC(=O)N(C)C2)n[nH]c1=O 65432398 ICRIWBWKWQEJNJ-QMMMGPOBSA-N 277.284 0.111 0 50 CCAA CCCc1cc(C(=O)NC[C@H]2CNCCOC2)n(C)n1 77407140 CIZCRABUNKGXBU-LLVKDONJSA-N 280.372 0.338 0 50 CCAA C=CC(=O)N1Cc2ccc(S(=O)(=O)N(C)C)cc2C1 328598378 MBTNTWJZJOMYAE-UHFFFAOYSA-N 280.349 0.965 0 50 CCAA O=C(NC[C@@]1(O)CCNC1)c1ncoc1-c1ccccc1 72172998 HUBHESWKEQLTNQ-OAHLLOKOSA-N 287.319 0.796 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@]1(C)CCCO1 151304926 SXRFKTPEXZDGGF-MWLCHTKSSA-N 263.359 0.447 0 50 CCAA CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 38755221 AGDBWZNTIRHWRG-SNVBAGLBSA-N 277.390 0.029 0 50 CCAA COCCC[C@H]1CCCN(C(=O)c2cc(=O)[nH]c(O)n2)C1 77322941 PLPHLIRZVQVTLN-SNVBAGLBSA-N 295.339 0.754 0 50 CCAA Cc1nc(C)c(CC(=O)N2CC(c3ccncc3)C2)c(=O)[nH]1 72165013 UXXZMUARQQXBFW-UHFFFAOYSA-N 298.346 0.950 0 50 CCAA CN(CCc1ncon1)C(=O)C(=O)c1cccnc1 216547261 QRPYTSFFRYSOCH-UHFFFAOYSA-N 260.253 0.348 0 50 CCAA CCc1ccc(CN(C)C(=O)CNC(N)=O)nc1 215219831 UDDKJMNAUWCNJE-UHFFFAOYSA-N 250.302 0.271 0 50 CCAA O=C(COc1ccccc1)N1CC[C@H](O)[C@@H](O)C1 72149881 YHCFMHSCZPADLV-RYUDHWBXSA-N 251.282 0.020 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@@H]1C=CC=CC3=C1[C@H]2C=CC=C3 71785975 MJXCPQWFYXJXSF-VXGBXAGGSA-N 267.288 0.993 0 50 CCAA O=C(NCc1nncn1C1CCCCC1)[C@H]1CNCCO1 72121865 YFEDDNWKMORMAA-GFCCVEGCSA-N 293.371 0.388 0 50 CCAA COc1ccc(CN2CCO[C@H](C)[C@H]2C(N)=O)cc1F 284529491 GLQASBMTDNHVJX-RNCFNFMXSA-N 282.315 0.909 0 50 CCAA O=C(CN1CC(O)=NC1=O)N1CC[C@@H](N2CCCCC2)C1 329494102 WSDGLPCWQQBRGT-LLVKDONJSA-N 294.355 0.465 0 50 CCAA CCO[C@H]1CN(C(=O)c2sc(C)nc2C)C[C@@H]1O 223470523 RHAOKIBGCBPYKS-UWVGGRQHSA-N 270.354 0.982 0 50 CCAA Cc1cncn1CC(=O)N1CCC[C@@H](N2CCNC2=O)C1 528197606 MOCKLZWDXUYPBK-GFCCVEGCSA-N 291.355 0.208 0 50 CCAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC3CC3)n2)n1 40286712 QYXSMMKDKRENBJ-UHFFFAOYSA-N 287.323 0.324 0 50 CCAA Cc1nc(N2CC[C@@](C)(O)[C@@H](O)C2)nc2c1CCCC2 96131997 HIURQTKYMLQUJI-DZGCQCFKSA-N 277.368 0.986 0 50 CCAA COc1ccc(C(=O)N(CCN(C)C)CC(=O)O)o1 426380709 TVISHPVAWFLHPI-UHFFFAOYSA-N 270.285 0.377 0 50 CCAA Nc1ccc(-c2cc(N)nc(N3CCOCC3)n2)cn1 97492537 JONKYVRATGIHFZ-UHFFFAOYSA-N 272.312 0.540 0 50 CCAA CSCCN1CCN(C(=O)Cn2ccccc2=O)CC1 97574964 LWDXBIJBKAXIHW-UHFFFAOYSA-N 295.408 0.356 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C)C2)[C@@H]1CN 299739061 JZDYPJYCONTCGN-QJPTWQEYSA-N 291.417 0.011 0 50 CCAA COC[C@H]1[C@H](NC(=O)c2cnc(C)nc2O)[C@H]2CCO[C@H]21 1074577776 YAWWNBOHRVKGQX-SASUGWTJSA-N 293.323 0.270 0 50 CCAA CN(CCN1CCOCC1)C(=O)Cc1cccnc1 264840454 LAPRQPZSCFAEEL-UHFFFAOYSA-N 263.341 0.415 0 50 CCAA CN(C)S(=O)(=O)CCNC(=O)Nc1ccc(F)nc1 290278803 ZHFRKSVTUMQVSY-UHFFFAOYSA-N 290.320 0.234 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)C(=O)c1cccnc1 299781437 DOCJUACFVPQJSZ-STQMWFEESA-N 291.351 0.488 0 50 CCAA CCn1cnnc1[C@@H](C)NS(=O)(=O)c1cnn(C)c1C 823592630 XFFADCWKJXTEON-MRVPVSSYSA-N 298.372 0.379 0 50 CCAA COc1cc2ncn([C@H]3COC[C@@H]3O)c(=O)c2cc1OC 670435494 OFASBPHXRATVDE-QWRGUYRKSA-N 292.291 0.346 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCc2ncncc2C1 1335190240 LGLIKIFURZHMKP-UHFFFAOYSA-N 260.297 0.006 0 50 CCAA CC[C@@H]1C=CCN1C(=O)CN1CCCN(C)CC1 952866700 DRSAFBPZPRPGNG-CYBMUJFWSA-N 251.374 0.801 0 50 CCAA COc1cc2c(cc1CN1C[C@@H](O)[C@H](F)C1)OCO2 952967551 KERULMICBYKTHR-NXEZZACHSA-N 269.272 0.939 0 50 CCAA Cc1nc[nH]c1CN1CC[C@H](Nc2ncccn2)[C@@H](O)C1 1565508324 KQGHDGWPZIIEOS-AAEUAGOBSA-N 288.355 0.555 0 50 CCAA O[C@H]1CCOC[C@@H]1Nc1ncc(F)c(N2CCOCC2)n1 1565527857 KXPMXGNWGQTDFJ-QWRGUYRKSA-N 298.318 0.014 0 50 CCAA Cn1ccc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1 268713506 YAUUWZKJEQOPDQ-PWSUYJOCSA-N 299.396 0.473 0 50 CCAA COc1cccc(CN2CCOCS2(=O)=O)c1 91770685 UJPDITUNKWQTMP-UHFFFAOYSA-N 257.311 0.815 0 50 CCAA Cn1cc(NC(=O)[C@H]2CCc3[nH]ncc3C2)cc1C(N)=O 270488981 XKIBJSJJSVCQNZ-QMMMGPOBSA-N 287.323 0.591 0 50 CCAA CS(=O)(=O)NC(=O)[C@H]1CCO[C@@H]1c1cccnc1 408482459 UHKAFFNHUXODPQ-VHSXEESVSA-N 270.310 0.235 0 50 CCAA C[C@@H](C(=O)N(C)CCN(C)C1CC1)[C@H]1CCC(=O)N1 408522114 DBDCHRGINTVUKJ-ZYHUDNBSSA-N 267.373 0.454 0 50 CCAA C[C@H](CCO)N(C)C(=O)CNC(=O)c1ccc(F)cc1 585090561 MKUQALFICBPGFE-SNVBAGLBSA-N 282.315 0.785 0 50 CCAA N[C@]12CC[C@H]1CN(CC1CCS(=O)(=O)CC1)C2 1775961144 CUFPEDZJQUERCB-RYUDHWBXSA-N 258.387 0.234 0 50 CCAA O=C1CC[C@H](NCc2nn[nH]n2)CCN1CC1CC1 1506426391 OJIRQFALWVETEI-JTQLQIEISA-N 264.333 0.080 0 50 CCAA Cc1nc(N)nc(N2CC[C@H](N(C)C)[C@@H](O)C2)c1Cl 1506415714 ZXGGRSBVYIXGPY-IUCAKERBSA-N 285.779 0.522 0 50 CCAA O=C(O)CNC(=O)N1CCCN(C(=O)c2ccco2)CC1 1506408033 MBORTLJADXBGKI-UHFFFAOYSA-N 295.295 0.222 0 50 CCAA C[C@@](O)(CNC(=O)[C@@H]1CCc2ccccc2C1)C(=O)O 223389765 PNNVVXHLKJMNNF-IUODEOHRSA-N 277.320 0.743 0 50 CCAA O=C(c1ccc2c(c1)OCO2)N(CCO)Cc1ncc[nH]1 1704335321 NFLYJKVEELBPNH-UHFFFAOYSA-N 289.291 0.773 0 50 CCAA COCC[C@@H](CO)NC(=O)c1ccc(F)cc1N 305936399 QFEAOCSKRFWIQZ-VIFPVBQESA-N 256.277 0.535 0 50 CCAA O=C(c1scc2c1OCCO2)N1CC[C@@H]2CNC[C@@H]21 219425542 OYKVIFBMCUJRFG-BDAKNGLRSA-N 280.349 0.953 0 50 CCAA O=C(CCc1ccsc1)N[C@H]1CCOC[C@@H]1O 629222868 BZYVUNSLCHYJRG-QWRGUYRKSA-N 255.339 0.947 0 50 CCAA Cc1ccc(C(=O)Nc2ccn(CC(=O)O)n2)n1C 122903867 OWNVTDQEZHYWIW-UHFFFAOYSA-N 262.269 0.867 0 50 CCAA Cc1nsnc1C(=O)N[C@@H]1CCc2c[nH]nc2C1 1775977967 NZLUCNXTXDSYIX-MRVPVSSYSA-N 263.326 0.857 0 50 CCAA CCCNS(=O)(=O)c1cc(C(N)=O)ccc1OC 13945930 RKCGWHIMYNMOEB-UHFFFAOYSA-N 272.326 0.482 0 50 CCAA CCNc1nc(OCCNC(C)=O)nc(N2CCCC2)n1 16651605 ZGOZEIQPLZFDPP-UHFFFAOYSA-N 294.359 0.419 0 50 CCAA Nc1cncc(N2CCN(CCc3ccccc3)C(=O)C2)n1 1857678930 MNBSKKJBPOJYPT-UHFFFAOYSA-N 297.362 0.950 0 50 CCAA NC(=O)CCCn1cc(-n2ccnc2[C@@H]2CCOC2)cn1 1857693803 NLHCDYLMUPYBND-LLVKDONJSA-N 289.339 0.838 0 50 CCAA CC(C)c1nncn1CCNC(=O)[C@H]1NCCC1(C)C 662739168 MOJSNTQRMIJUAZ-LLVKDONJSA-N 279.388 0.906 0 50 CCAA CCCn1c(SC[C@H](C)O)nc2c1c(=O)[nH]c(=O)n2C 180709 WNFCYIGGRHIQPG-ZETCQYMHSA-N 298.368 0.306 0 50 CCAA Cc1cc(CCNC(=O)[C@H]2C[C@@H](O)CN2)cc(C)c1O 648173582 NHNOZXMAECRTFU-CHWSQXEVSA-N 278.352 0.391 0 50 CCAA CO[C@H]1CNC[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1 36265199 CKXAAPFBCLLCSR-RYUDHWBXSA-N 288.344 0.232 0 50 CCAA O=C(c1cc2n(n1)CCC2)N1CCC[C@H]1c1nn[nH]n1 900396330 OPKSYWVSTNTVPO-JTQLQIEISA-N 273.300 0.320 0 50 CCAA C[C@@H]1CN(CCO)CCN1C(=O)c1cnc2cc[nH]c2c1 909438471 SSKVLCHEPUGQGW-LLVKDONJSA-N 288.351 0.702 0 50 CCAA C[C@@H]1CN(c2nc(N)nc(Cl)c2N)CC[S@](=O)C1 912090324 QJMWRDKTRSVTFJ-DMWPKQFHSA-N 289.792 0.499 0 50 CCAA COC(=O)Cc1ccc(C(=O)N2CCOCCN2)cc1 1875294409 RBAXMHLHUOCVCB-UHFFFAOYSA-N 278.308 0.379 0 50 CCAA COC[C@@H](NC(=O)c1cc2cccc(C)c2[nH]1)C(N)=O 1875253841 JNEXPHRGQQPBSE-LLVKDONJSA-N 275.308 0.706 0 50 CCAA CO[C@@H](C(=O)O)C1CCN(c2ncccn2)CC1 1875304908 YYPQCWTWSSHBBM-SNVBAGLBSA-N 251.286 0.793 0 50 CCAA O=C(C=C1CCC1)N1CCN([C@]2(C(=O)O)CCOC2)CC1 886096556 CILTUYWOSCJAGF-OAHLLOKOSA-N 294.351 0.485 0 50 CCAA C[C@@H](CN(C(=O)[C@H]1CC(=O)N(C)C1)C1CC1)C(=O)O 237451601 NGZUTKGYDDWBKV-IUCAKERBSA-N 268.313 0.176 0 50 CCAA CSCC[C@H](NC(=O)[C@@H]1CCCN1C)C(=O)O 82246880 AZWGPXWNZZZXHE-IUCAKERBSA-N 260.359 0.403 0 50 CCAA COc1ccc(OCCNC(=O)[C@@H]2CNC(=O)C2)cc1 194780867 BYMJVJNRVYYYGY-JTQLQIEISA-N 278.308 0.326 0 50 CCAA C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cccc2c[nH]nc12 331591364 USPWZNYHQGRGRY-LKFCYVNXSA-N 275.308 0.833 0 50 CCAA Cc1c(-c2cc(CN3CC[C@@H](N)C3)on2)cnn1C 578652705 SHVQJWYHJSEVMT-SNVBAGLBSA-N 261.329 0.917 0 50 CCAA Cc1cn2c(n1)CN(C(=O)Cn1nnc3ccccc31)CC2 2325731520 OVKLJLGFDQWXTO-UHFFFAOYSA-N 296.334 0.979 0 50 CCAA COc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 115565 XKJXSCUEBVSEOH-UHFFFAOYSA-N 298.364 0.413 0 50 CCAA CCOC(=O)C(=O)NCc1ccc2c(c1)OCO2 1794342 OCTOOPPSYZFRTP-UHFFFAOYSA-N 251.238 0.595 0 50 CCAA CN(C)C(=O)CN(Cc1nnnn1C)c1ccccc1 342643163 AJBKSVNPLNFALL-UHFFFAOYSA-N 274.328 0.305 0 50 CCAA CCOC(=O)CON1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100697623 TYVSSPFEEBZLAP-UUTMEEIUSA-N 265.265 0.288 0 50 CCAA CN(C[C@H]1CCCCN1C)C(=O)c1ccc[n+]([O-])c1 20997532 HLLRMMQIGFBCIN-CYBMUJFWSA-N 263.341 0.876 0 50 CCAA COc1cccc(CNC(=O)[C@@H]2C[C@H](OC)CN2C)n1 330557316 WOKWILSGRYZWGM-RYUDHWBXSA-N 279.340 0.426 0 50 CCAA COc1ccccc1CN1CCO[C@H](C)[C@H]1C(N)=O 284711449 VAJJXYWRPQKSGG-MFKMUULPSA-N 264.325 0.770 0 50 CCAA CCn1nccc1CCN1CC[C@](O)(c2c[nH]nn2)C1 284470999 AHMOTCYPZQPKIN-CYBMUJFWSA-N 276.344 0.157 0 50 CCAA Cc1cc[nH]c1C(=O)N[C@H]1COC[C@H]1n1ccnn1 284627490 CJRCNBFDOXEQFE-VHSXEESVSA-N 261.285 0.285 0 50 CCAA Cc1ccc(-c2noc(C[C@@H]3CCS(=O)(=O)C3)n2)nn1 82138359 FQQFVFMONFMYDL-VIFPVBQESA-N 294.336 0.812 0 50 CCAA CN1C[C@H](CNC(=O)c2ccn(C(C)(C)C)c2)OCC1=O 220175529 LTPWGHWBAKXDPF-LBPRGKRZSA-N 293.367 0.830 0 50 CCAA Cc1cccc2nc(COCC(=O)N[C@@H](C)C(=O)O)[nH]c12 426376416 QJDSSAPLMHGOHN-VIFPVBQESA-N 291.307 0.977 0 50 CCAA O=C(NC[C@H]1CCC[C@@H]1O)c1nnc2ccccc2n1 290432740 RGECXXUPDYMLTH-SKDRFNHKSA-N 272.308 0.916 0 50 CCAA O=C(CCn1ccnn1)N1CC[C@]2(CCOC2)C1 177031857 ZIGRTTHPJSBCMV-LBPRGKRZSA-N 250.302 0.307 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCc1ccnn1C 426501942 WOLUMRBNOHWVHM-KBPBESRZSA-N 294.399 0.577 0 50 CCAA O=C(NCCc1ccccc1F)N[C@@H]1CCOC[C@H]1O 222907465 LGJJYOKTVPOHHI-CHWSQXEVSA-N 282.315 0.817 0 50 CCAA CCCc1cc(C(=O)N2CC[C@@H]2C(=O)O)n(C)n1 95372353 KDMSFYIVVYNBQY-SECBINFHSA-N 251.286 0.672 0 50 CCAA Cc1nnsc1CN(C)C(=O)CN1CCOC1=O 95506065 VKUFNGVMBIYXAE-UHFFFAOYSA-N 270.314 0.257 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N[C@H]1CCCCNC1=O 97447098 TUBWXSDVEJIQOO-NSHDSACASA-N 291.355 0.250 0 50 CCAA O=C1NCCN1CCNc1nccc(-c2ccccn2)n1 96164078 VVEAKOBSPDEWEJ-UHFFFAOYSA-N 284.323 0.976 0 50 CCAA CCS(=O)(=O)CCNC(=O)c1nn(C)cc1Cl 97819577 PBPVQNPSOHWSAP-UHFFFAOYSA-N 279.749 0.238 0 50 CCAA CCC[C@@H](C)N1C[C@@H](C(=O)NCCC(=O)O)CC1=O 299751102 PMJINQSMDXEKBF-ZJUUUORDSA-N 270.329 0.614 0 50 CCAA COc1cc(C(=O)O)cc(C(=O)N[C@H](C)CCO)c1 534652275 ATKQFKGKHOXKIP-MRVPVSSYSA-N 267.281 0.894 0 50 CCAA CSCC[C@H](O)C(=O)NCc1noc(CC(C)C)n1 299755254 DKENONNRDCUGEB-VIFPVBQESA-N 287.385 0.998 0 50 CCAA CCCCn1nc(CC(N)=O)nc1-c1ccc(CO)o1 822888726 HKFBINUHBQDYMF-UHFFFAOYSA-N 278.312 0.858 0 50 CCAA OCCn1nc(-c2ccco2)nc1CN1CCOCC1 828776963 NOJDYHSERKZWNM-UHFFFAOYSA-N 278.312 0.363 0 50 CCAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1onc2c1CCCC2 665490809 GLPKGAYFRCGCJJ-MRVPVSSYSA-N 284.337 0.470 0 50 CCAA O=C(NCCN1CCCC[C@H]1CO)c1cccnc1O 828710990 UVUSFPIFUBICNC-NSHDSACASA-N 279.340 0.364 0 50 CCAA CCn1cnnc1[C@H](C)NC(=O)Cn1cc(C)cn1 584895032 GYEMLXOQMOFKGL-JTQLQIEISA-N 262.317 0.680 0 50 CCAA CC(C)c1nnc(N2C[C@H](O)[C@@H](N3CCOCC3)C2)s1 670458613 OCAVMNNAZKGJBK-QWRGUYRKSA-N 298.412 0.543 0 50 CCAA O=C(NCC1CCN(C[C@H](O)CO)CC1)C1CCCC1 952975296 PDPAHKMXAQLHIU-AWEZNQCLSA-N 284.400 0.358 0 50 CCAA CN(C)C[C@H]1CCN(C(=O)c2ccc(F)cc2O)C[C@@H]1O 1565517052 WAICCKFNYXMCGA-YGRLFVJLSA-N 296.342 0.916 0 50 CCAA Cc1nc2ccccn2c1C(=O)N[C@H]1CCOC[C@@H]1O 1565512497 XFXJKCRHQANZCM-QWRGUYRKSA-N 275.308 0.522 0 50 CCAA OC[C@@H]1C[C@H](F)CN1c1cc(N2CCSCC2)ncn1 408032918 DYMZHLUTIWHMIA-QWRGUYRKSA-N 298.387 0.939 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)NCC1(O)CCOCC1 408388418 VJVVAHXTKYIQLR-VXGBXAGGSA-N 271.357 0.849 0 50 CCAA CC[C@@H]1CN(S(=O)(=O)CC2CC2)CCN1C[C@H](C)O 408428128 BGQPKQQNWOSIOD-WCQYABFASA-N 290.429 0.503 0 50 CCAA C[C@@H]1CCNC(=O)[C@H]1NC(=O)NC[C@H]1CC1(C)C 408427081 ZEAKWJUOLPOYMR-BBBLOLIVSA-N 253.346 0.856 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1ncn(C)n1 276964210 DPMWMFRJNQJURS-VHSXEESVSA-N 252.318 0.637 0 50 CCAA CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)SC)C1=O 278774900 NHYMNJMAGJFBJG-LHLIQPBNSA-N 259.331 0.490 0 50 CCAA C[C@H](C(=O)NCc1cccs1)N1C[C@@H](O)C[C@H]1CO 186486539 RGMVLDCTMIIDBH-VWYCJHECSA-N 284.381 0.180 0 50 CCAA C[C@@H](O)CN1CCN(Cc2ccc(=N)[nH]c2)C[C@H]1C 647515838 TWPHQRLFXZLJKI-VXGBXAGGSA-N 264.373 0.381 0 50 CCAA O=C(NC[C@H]1COCCO1)c1cc(O)nc(C2CC2)n1 654555563 YVUWHKOHXTZFIC-VIFPVBQESA-N 279.296 0.205 0 50 CCAA CCSC[C@H](C)NCCN(C)S(C)(=O)=O 67432611 YIQIOMZDJNOWQS-VIFPVBQESA-N 254.421 0.609 0 50 CCAA O=C(Cc1cccc(Cl)c1)Nn1cnnc1O 777767714 IADLNEMEFCQDCX-UHFFFAOYSA-N 252.661 0.950 0 50 CCAA Cc1cncc(C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)c1 794111701 FDZWMUJLHMRBJJ-CQSZACIVSA-N 287.323 0.632 0 50 CCAA Cn1ccnc1CCN1CCN(c2cnccn2)CC1 1506404829 RTBCSWGCBRWBMA-UHFFFAOYSA-N 272.356 0.575 0 50 CCAA C[C@@H](c1cccnc1)N(C)C(=O)CNC(=O)N(C)C 1506422997 VRMHLGVBKCPLIR-JTQLQIEISA-N 264.329 0.872 0 50 CCAA CC[C@@]1(C(N)=O)CCCN(CCc2ncc[nH]2)C1 1506415399 NNXKLKSUXFXWQZ-CYBMUJFWSA-N 250.346 0.930 0 50 CCAA CO[C@H]1C[C@@H](C(=O)Nc2ccn(C(C)C)n2)N(C)C1 346699630 GKGRGARLMOEQQF-QWRGUYRKSA-N 266.345 1.122 0 50 CCAA CCOC(=O)[C@@H](C)N1CC[C@@H](S(=O)(=O)NC2CC2)C1 229900118 AFAHKFDOEHYATN-MWLCHTKSSA-N 290.385 0.094 0 50 CCAA CS(=O)(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 6267957 RRXKSAUZALCZAG-GFCCVEGCSA-N 298.364 0.967 0 50 CCAA Cc1nsnc1C(=O)NC1(C(N)=O)CCCC1 1775977806 MKIWTQHGLNEBSC-UHFFFAOYSA-N 254.315 0.374 0 50 CCAA O=C1N[C@H]2C[C@@H]1N(C(=O)c1cccc(N3CCCC3=O)c1)C2 1857676612 VPWKJDMWRFNUAX-AAEUAGOBSA-N 299.330 0.526 0 50 CCAA O=C(COC1CCNCC1)N1CCO[C@@H]2CCCC[C@@H]21 111796390 SGZTWRNAUWVAMP-UONOGXRCSA-N 282.384 0.925 0 50 CCAA COc1ccccc1CCNC(=O)[C@@H]1C[C@H](OC)CN1 228501398 RJNVCYHHZVFZIG-STQMWFEESA-N 278.352 0.731 0 50 CCAA O=C(O)c1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)cc1 1704336237 WPSIKCCSMVAQEQ-OLZOCXBDSA-N 290.319 0.332 0 50 CCAA Cn1nccc1[C@@H](CO)NC(=O)C1Cc2ccccc2C1 909903888 NWSRSVUZRFXVPL-CQSZACIVSA-N 285.347 0.985 0 50 CCAA O=C(CCN[C@@]1(CO)CCOC1)Nc1cccc(F)c1 952877394 PONZLZYAQDTBOG-CQSZACIVSA-N 282.315 0.895 0 50 CCAA CON(Cc1ccc(C)o1)C(=O)[C@H]1CCS1(=O)=O 1875392503 FYSBWPALRYJUQK-SNVBAGLBSA-N 273.310 0.665 0 50 CCAA CC[C@H](C(=O)N[C@H](C(=O)O)c1nn[nH]n1)c1ccccc1 1875354731 NIORWDMXTXDFJT-UWVGGRQHSA-N 289.295 0.635 0 50 CCAA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)CCn2cncn2)C1 886077782 IRMYIWNIRPYYAM-ZNMIVQPWSA-N 293.415 0.852 0 50 CCAA Cc1n[nH]c(C)c1CN1C[C@H](n2ccnn2)[C@H](N(C)C)C1 888094424 MDJBKTPQKAJYGG-KGLIPLIRSA-N 289.387 0.605 0 50 CCAA O=C1CCN(C(=O)Cc2ncccc2F)[C@@H]2CCCN12 888166723 XEDZIPDHQYCXLA-GFCCVEGCSA-N 277.299 0.944 0 50 CCAA O=C(N[C@H]1CCNC12CCC2)c1ccc2c(n1)CNCC2 1775961280 MUUJEFPXAAANCW-AWEZNQCLSA-N 286.379 0.742 0 50 CCAA CS(=O)(=O)c1ccc(CN2CCC(O)(CO)CC2)cc1 67856301 JZSMWXGILMVTBV-UHFFFAOYSA-N 299.392 0.409 0 50 CCAA CC(C)(C)c1nsc(N2CCC[C@@](O)(C(N)=O)C2)n1 311615324 KKHHQGSPUNSQDN-LBPRGKRZSA-N 284.385 0.652 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1nc(C)no1 643878348 QMMYDKCUMDWFJX-NSHDSACASA-N 255.274 0.444 0 50 CCAA Cn1cc(C[C@](C)(C(=O)O)n2ncc(C3CC3)n2)cn1 2325789529 WAXXBQGQRZRFPQ-CYBMUJFWSA-N 275.312 0.932 0 50 CCAA COc1nc(N)nc(N(C)C(=O)c2ccccc2)n1 4030578 NVCKKIBQFZUQTH-UHFFFAOYSA-N 259.269 0.739 0 50 CCAA CCOC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(C)=O 225763568 BLSZCEJLLYFYBP-ZMLRMANQSA-N 284.356 0.749 0 50 CCAA Cc1nc(N2CCCC[C@H]2CO)ncc1C(=O)O 134344605 USBCDYRXOSLICT-VIFPVBQESA-N 251.286 0.834 0 50 CCAA C[n+]1cccc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100846321 HEMUIXMMIUNTKT-XUXIUFHCSA-N 269.324 0.818 0 50 CCAA O=C(CCn1ccnn1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 329340620 RQPWAXYTDSTCSA-KBPBESRZSA-N 276.340 0.838 0 50 CCAA Nc1[nH]nc(C(=O)NC2(C(=O)O)CCCC2)c1Cl 217132413 FDSIIAHNEWNNDN-UHFFFAOYSA-N 272.692 0.773 0 50 CCAA O[C@@]1(CN2CCCC2)COCCN(c2nccs2)C1 77521235 VKECLTLGESHQRI-CYBMUJFWSA-N 283.397 0.807 0 50 CCAA CCn1c(C)nnc1SCCNC(=O)c1c[nH]nn1 72163191 YQQQZPGKOAAAJP-UHFFFAOYSA-N 281.345 0.247 0 50 CCAA CO[C@H](C)CC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 328621082 AFNCBBHCQHKHDM-TZMCWYRMSA-N 284.400 0.981 0 50 CCAA CO[C@@H]1C[C@H]2C(=O)N([C@@H]3CCN(C(C)C)C3=O)C(=O)N2C1 253431870 IIYRHJXONFKYIS-MXWKQRLJSA-N 295.339 0.047 0 50 CCAA C[C@@]1(C(=O)N2CCC[C@]3(CCNC3)C2)CCNC1 335990102 HVIPSFAJILTYTG-ZIAGYGMSSA-N 251.374 0.588 0 50 CCAA Cc1nsc(C)c1C(=O)N1CC(S(C)(=O)=O)C1 331535848 NRJATJFHUWXPHY-UHFFFAOYSA-N 274.367 0.629 0 50 CCAA CCOC[C@@H]1CCN(C(=O)NCc2cncn2C)C1 360096089 CKNPUKYVCLJXRK-LLVKDONJSA-N 266.345 0.988 0 50 CCAA C=CC(=O)NCCC(=O)N[C@H]1COc2ccccc2[C@H]1O 366530512 LNIIWAPPNGGYJF-XHDPSFHLSA-N 290.319 0.290 0 50 CCAA C[C@H]1CN(C(=O)c2nc[nH]c3nccc2-3)C[C@@H](CO)O1 613859062 XXBZCDGYVKTOGA-IUCAKERBSA-N 276.296 0.131 0 50 CCAA COC[C@H]1CCC[C@H]1NC(=O)c1cnc(N)nc1C 221183235 RVCHIHRZKQPHPR-MWLCHTKSSA-N 264.329 0.912 0 50 CCAA COc1ccc2oc(CNC(=O)Cn3cnnn3)nc2c1 223338559 NIDOTQVFJTTZTO-UHFFFAOYSA-N 288.267 0.139 0 50 CCAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCOC[C@@H]1CO 244734907 NNUGPKVKXXMCBV-NSHDSACASA-N 296.367 0.869 0 50 CCAA Cc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc1C 251993396 JWZXDMQOJGLNJM-FYGCWZCISA-N 267.325 0.543 0 50 CCAA CC(C)=CCN1CCC[C@@H](n2cnc(C(N)=O)n2)C1 299750166 MRDDIVNDIRAUBG-LLVKDONJSA-N 263.345 0.980 0 50 CCAA CC1(C)O[C@H]2[C@@H](O1)[C@H]1COc3nc(=O)ccn3[C@H]2O1 257355513 AZOHLNWZDQIBIJ-CUJWVEQBSA-N 266.253 0.053 0 50 CCAA CN(CC(F)(F)F)C(=O)Cn1cnc2c(c1=O)CCC2 184058423 NFMULVREWBUXMY-UHFFFAOYSA-N 289.257 0.753 0 50 CCAA C[C@@H](NC(=O)N(CCO)Cc1ccco1)C(=O)N(C)C 534649996 FSGBAPVIGKJLTB-SNVBAGLBSA-N 283.328 0.260 0 50 CCAA CC(C)C[C@@H](NC(=O)Cn1ccnc1)c1ncnn1C 534634271 MAZREXHZYARQEP-LLVKDONJSA-N 276.344 0.915 0 50 CCAA CO[C@@H](C)C(=O)N1CCC(CNC(=O)c2ccon2)CC1 824230171 HQXBIZZMZRMFJD-JTQLQIEISA-N 295.339 0.678 0 50 CCAA COCC(C)(C)CNc1cc2nncn2c(N)n1 584899517 WTJRZMQIVQDYOQ-UHFFFAOYSA-N 250.306 0.791 0 50 CCAA CCC1=NO[C@H](CN2CCC3(CC2)CN(C)C(=O)CO3)C1 670437018 DRXACVOMHSCYIK-ZDUSSCGKSA-N 295.383 0.865 0 50 CCAA CN(C)C(=O)CNCc1cnc(-c2ccco2)nc1 952977709 JEDCGLPSYGZTMQ-UHFFFAOYSA-N 260.297 0.914 0 50 CCAA COc1c(F)cc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1F 1565506196 REMIQEIRQHAJJE-QWRGUYRKSA-N 287.262 0.853 0 50 CCAA CCN(CC(F)(F)F)C(=O)CN1CCCC[C@H](O)C1=O 644337429 IFZCAADZGPNDPX-VIFPVBQESA-N 296.289 0.771 0 50 CCAA C[C@H]1CCNC(=O)[C@@H]1NC(=O)COc1ccccc1 194191445 UHMKPMCEGKRXOU-GXFFZTMASA-N 262.309 0.706 0 50 CCAA COCC(=O)N1C[C@H](Cc2ccncc2)[C@@H](O)C1 1616081764 UALHIISDWNQOMG-RYUDHWBXSA-N 250.298 0.090 0 50 CCAA O=C(NCCc1nc(=O)o[nH]1)[C@H]1CCc2cccnc21 1645859144 HVWDJGDGOHBBEJ-VIFPVBQESA-N 274.280 0.147 0 50 CCAA Cc1nnc(CNC(=O)c2nccn3ccnc23)o1 1322141323 PHXWVNRVNZWAEZ-UHFFFAOYSA-N 258.241 0.351 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccnn3C)C[C@H]2O)n[nH]1 1529169008 PXCMHKPNGMDZAZ-ZWNOBZJWSA-N 289.339 0.127 0 50 CCAA O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 2865513 DFQJRGFPAIQFCT-LBPRGKRZSA-N 278.308 0.743 0 50 CCAA C[C@@H]1CCCN(CC(=O)N(CCO)Cc2ncc[nH]2)C1 1704339723 JXTZNDLJXPZAEM-GFCCVEGCSA-N 280.372 0.463 0 50 CCAA Cn1nnnc1NC(=O)c1cnc(C2CC2)s1 1262487157 LRLKHVSESZSZMG-UHFFFAOYSA-N 250.287 0.796 0 50 CCAA NC(=O)C1(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)CC1 119571326 QEPDTFVOMKKTTF-QMMMGPOBSA-N 293.289 0.395 0 50 CCAA O=C(c1cccs1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772712174 OSCKXKGKNREAAO-DTORHVGOSA-N 253.323 0.421 0 50 CCAA COC[C@H](C)NC(=O)c1cnc2sccn2c1=O 12383552 CZVGIHXINVREER-ZETCQYMHSA-N 267.310 0.521 0 50 CCAA COCC(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1 15079424 NHLLXOTWSCHLTI-AWEZNQCLSA-N 290.363 0.983 0 50 CCAA Cc1[nH]c2nc(C(=O)NCc3ccccc3)nn2c(=O)c1C 18221992 CPAQRJBDRSNIFN-UHFFFAOYSA-N 297.318 0.964 0 50 CCAA C[C@H]1CN2C[C@H](NC(=O)c3n[nH]cc3Cl)C[C@H]2CO1 1857732678 AQLYPYGJYGPIFX-YIZRAAEISA-N 284.747 0.655 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2cc(COC)on2)C1 643756858 APXQHAYTTVBELG-CQSZACIVSA-N 297.355 0.284 0 50 CCAA O=C(c1cnc2[nH]cnc2c1)N1CCc2nc[nH]c2C1 929081366 LWNOWWOSWQUBPQ-UHFFFAOYSA-N 268.280 0.880 0 50 CCAA C=CC(=O)N1CC(C(=O)NC2(C(=O)NC)CCCCC2)C1 1875386951 GPXJVMIUOFZLOS-UHFFFAOYSA-N 293.367 0.196 0 50 CCAA CO[C@@H]1CCNC[C@@H]1C(=O)NC[C@@H](N)c1ccc(C)cc1 1875315740 GEDGNRZCKOOAQJ-RRFJBIMHSA-N 291.395 0.736 0 50 CCAA O=C(NCC1OCCO1)N1CCCC2(COC2)C1 1875328677 GNWSCFRFAJRACK-UHFFFAOYSA-N 256.302 0.181 0 50 CCAA CN(C)C(=O)[C@@H]1CCCN1CCc1ccc(C(N)=O)cc1 877943675 OBJLGNMQNRXHHC-AWEZNQCLSA-N 289.379 0.881 0 50 CCAA Cc1nc(C2CN(c3ncnc4[nH]ccc34)C2)n[nH]1 895330139 TUGMOATXZXCQMX-UHFFFAOYSA-N 255.285 0.988 0 50 CCAA CC(C)C[C@@H](C(=O)O)N1CCC[C@@H](N2CCNC2=O)C1 629483704 KDEVIDAXYORIAX-NEPJUHHUSA-N 283.372 0.975 0 50 CCAA CC(C)(C)OC(=O)N1CCN2C(=O)CCCNC[C@H]2C1 2325712098 JGTWRKKADCJQCJ-NSHDSACASA-N 283.372 0.818 0 50 CCAA CCC[C@@H](C)NC(=O)C1CCN(S(C)(=O)=O)CC1 4497924 IDVYSKRTXTZNGQ-SNVBAGLBSA-N 276.402 0.963 0 50 CCAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O 9818416 QNWLBHGTCVOKES-GFCCVEGCSA-N 292.335 0.860 0 50 CCAA CNC(=O)[C@H](NS(=O)(=O)C(C)C)c1ccccc1 53668857 OEIZEBCSWJLRQG-LLVKDONJSA-N 270.354 0.802 0 50 CCAA OCCOCCN1CCN(Cc2ccccc2)C[C@H](O)C1 108262450 OAKNBBSDJKQBOD-MRXNPFEDSA-N 294.395 0.174 0 50 CCAA Cc1nonc1CN(C)C(=O)Nc1ncn(C)n1 23145187 APAGSVQDUWSHJO-UHFFFAOYSA-N 251.250 0.170 0 50 CCAA CCC(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67622191 JTIZBUUFWQAFSE-UHFFFAOYSA-N 286.339 0.721 0 50 CCAA O=C(CN1CCOCC1)Nc1nnc(C2CC2)s1 20028125 FBISOGZMFCKLGB-UHFFFAOYSA-N 268.342 0.686 0 50 CCAA CC(C)=CC(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C 67804959 DVMYPNCXQVFFAG-QWRGUYRKSA-N 253.346 0.405 0 50 CCAA COCc1nnc(C(=O)N(C)Cc2noc(C)n2)o1 71764887 AGBGDDXDHWNZQS-UHFFFAOYSA-N 267.245 0.180 0 50 CCAA O=C([C@@H]1CSCN1)N1CCO[C@H]([C@H]2CCCO2)C1 122010224 YIEBGOAUFVZLIY-AXFHLTTASA-N 272.370 0.055 0 50 CCAA CC1(C)C[C@H]1C(=O)N1CCc2c([nH]n(CCO)c2=O)C1 215110843 AQYGWYWVAJNPRS-JTQLQIEISA-N 279.340 0.100 0 50 CCAA CCO[C@H]1CN(Cc2cc(C(C)=O)cn2C)C[C@@H]1O 218993709 SHEMMKVPVZQBKT-KBPBESRZSA-N 266.341 0.809 0 50 CCAA Cc1cc(CN2CCC[C@H]2c2nc(C(N)=O)no2)no1 328626607 FFYBJMOBFGNRFO-VIFPVBQESA-N 277.284 0.802 0 50 CCAA O=C1[C@@H](NC(=O)C2(O)CCC2)CN1c1ccccc1 253431439 RUWCYBDRWURRSR-NSHDSACASA-N 260.293 0.433 0 50 CCAA NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](N)C2)cc1 158203296 NRLFEMILSTVKPE-OQHXTRMZSA-N 273.336 0.748 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)nc(N)n1 215145880 PQGCAZUYZZVNIV-CYBMUJFWSA-N 291.311 0.082 0 50 CCAA COC[C@H](C)n1ccc(=NC(=O)N[C@H]2C[C@@H](O)C2(C)C)[nH]1 332056631 VZPKGZSMGRDSQF-GARJFASQSA-N 296.371 0.793 0 50 CCAA Cc1cnc(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)cn1 332212555 JJVCGAYKDYCVRD-CHWSQXEVSA-N 276.340 0.330 0 50 CCAA Cn1cc(N2CC[C@@H](N3CCC[C@H](CCN)C3)C2=O)cn1 443061912 SMDWVQDNYQELRG-TZMCWYRMSA-N 291.399 0.586 0 50 CCAA CNCC(=O)N1CCNC(=O)[C@@H]1c1cccc(F)c1 71748984 BOWLHOHHFBSDQM-LBPRGKRZSA-N 265.288 0.045 0 50 CCAA COCC1(CNC(=O)[C@H]2C[C@]23CCOC3)CCOCC1 332800215 RZTLGSORKYFXCU-DOMZBBRYSA-N 283.368 0.972 0 50 CCAA CCN1Cc2nc(OC)c(CNC(=O)[C@@H](C)O)cc2C1=O 71774977 YDJQVHSQOIKKCL-MRVPVSSYSA-N 293.323 0.063 0 50 CCAA COC(=O)C1(C(=O)OC)[C@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@@H]1[C@H]1[C@H]5[C@@H]4[C@H]12 239386713 QCFWGUDMZFEZIB-JHGIASSQSA-N 274.316 0.953 0 50 CCAA Cn1nccc1[C@H]1OCC[C@@H]1NS(=O)(=O)C1CC1 285200337 VTIIGLJJYIPJDS-ONGXEEELSA-N 271.342 0.332 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)CCc3cnn(C)c3)[C@H]2C1 285658139 GHYJHWLNQUOLNP-UONOGXRCSA-N 292.383 0.284 0 50 CCAA C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@@H](C(=O)O)O1 263317782 ZLSFUBWKMHKZAX-MXWKQRLJSA-N 271.313 0.646 0 50 CCAA CSCCN1CCN(C(=O)c2cc(=O)cc(C)[nH]2)CC1 426593867 UGONNQYIWZZREF-UHFFFAOYSA-N 295.408 0.804 0 50 CCAA Cc1nc(CCC(=O)N[C@H](CC(=O)O)C(C)C)n[nH]1 426707226 NWAMMELZFYQZIQ-SECBINFHSA-N 268.317 0.661 0 50 CCAA CN1CCCN(C[C@H]2CCOC2)CC12CCNCC2 426517749 AUKOZARBVZYPIM-CQSZACIVSA-N 267.417 0.783 0 50 CCAA Nc1nc(=NCc2ccccn2)cc([C@H]2CCOC2)[nH]1 426477160 FSCGINYIVSKTOV-JTQLQIEISA-N 271.324 0.992 0 50 CCAA O=C(CCCn1cccn1)N1CC[C@]2(CCCNC2=O)C1 92064766 RFQHXKKHTVOSGW-OAHLLOKOSA-N 290.367 0.792 0 50 CCAA CN1CCN(c2cc(-c3cncc(N)c3)nc(N)n2)CC1 97527914 IRDMGSBKNWGGCB-UHFFFAOYSA-N 285.355 0.455 0 50 CCAA CN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CCNC1 179111157 IVDDUKNONNUTPU-RKDXNWHRSA-N 293.289 0.218 0 50 CCAA COC(=O)C1CN(S(=O)(=O)c2ccc(C)cc2)C1 97756961 KWRPJFXIZKDUAQ-UHFFFAOYSA-N 269.322 0.789 0 50 CCAA COc1ccc2c(c1)cc(C(=O)NCCOCCO)n2C 91585738 VMQOEGXQGYYZGC-UHFFFAOYSA-N 292.335 0.926 0 50 CCAA COCCN1CC[C@@H](C(=O)NCCn2cnc(C)c2C)C1 244724062 MMWRNLSBOCMWHR-CQSZACIVSA-N 294.399 0.584 0 50 CCAA O=C(CCc1nc(O)c2ccccc2n1)NCCO 253623849 QIYVWBLZXNJFIF-UHFFFAOYSA-N 261.281 0.377 0 50 CCAA biogenic CC(C)COCCC(=O)N1CCOC[C@H]1C(=O)O 299748693 HWHJFGMIMPAFFQ-JTQLQIEISA-N 259.302 0.361 0 50 CCAA CCN1CC[C@H](N(C)C(=O)CNC[C@@H]2CCCO2)[C@H](C)C1 299740156 WIXHQCFPSGMOEN-ILXRZTDVSA-N 297.443 0.944 0 50 CCAA CCCCc1ccc(S(=O)(=O)N[C@@H]2CNC[C@H]2O)cc1 534647997 BZQNJNGRKLQIBJ-ZIAGYGMSSA-N 298.408 0.640 0 50 CCAA CC(C)S(=O)(=O)NCc1noc([C@@H]2CCCO2)n1 584891464 WZHYTWZJYWLFBR-QMMMGPOBSA-N 275.330 0.749 0 50 CCAA CC(=O)N1CCN(C2CSCCSC2)C[C@@H](O)C1 670455235 QDFLEYWZFYWZRP-LBPRGKRZSA-N 290.454 0.360 0 50 CCAA CCOC(=O)C(=O)NC(=N)NC(=O)c1ccccc1 675072291 CGJFUCFBGMMBCT-UHFFFAOYSA-N 263.253 0.030 0 50 CCAA Cc1cc(C)c(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)[nH]1 685942945 XXYLJZFFGDFMBW-NWDGAFQWSA-N 290.323 0.931 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)c1ccnnc1 885939241 YZCWRILDHXGELU-UHFFFAOYSA-N 257.297 0.444 0 50 CCAA Cn1ncc(Cl)c1C(=O)N1C[C@H]2CCCN[C@H]2C1 1565515560 PSSKGBWBCRDOJQ-SCZZXKLOSA-N 268.748 0.898 0 50 CCAA O=C(NCC1=CCNCC1)[C@@H]1COc2ccccc2O1 169288026 BZTYSKMDFAIQJA-AWEZNQCLSA-N 274.320 0.862 0 50 CCAA C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)CCc1nn[nH]n1 633033386 RXGGIRPICZBDFB-GHMZBOCLSA-N 278.360 0.218 0 50 CCAA C[C@@H]1CC(=O)N[C@H](C(=O)N2CC[C@H](OC(F)F)C2)C1 552037457 NNZABNKEACACFQ-CIUDSAMLSA-N 276.283 0.741 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 189263250 YSMQUUDAKWWZRV-WDEREUQCSA-N 289.397 0.837 0 50 CCAA CCc1nnc(CNC(=O)C[C@@H]2COCCN2)s1 72135445 XWHSXZRCCDHBQL-MRVPVSSYSA-N 270.358 0.095 0 50 CCAA O=C(O)c1cnc[nH]c1=NCC1(CCO)CCC1 583443548 SZHAFRFZICPFTI-UHFFFAOYSA-N 251.286 0.561 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)Nc1ccn(CCC(N)=O)n1 191897923 XBQCHUUQEQDAMC-NXEZZACHSA-N 280.328 0.512 0 50 CCAA C[C@H](OC(=O)[C@@H](O)[C@@H](C)c1ccccc1)C(N)=O 584907042 CYCAVHSQBHOIGN-QXEWZRGKSA-N 251.282 0.568 0 50 CCAA CN(Cc1nc[nH]n1)[C@@H]1CCN(C(C)(C)C)C1=O 564880566 SVDPZNWIVSUVIJ-SECBINFHSA-N 251.334 0.636 0 50 CCAA Cc1cnccc1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1 568048339 KGORMZVLHMKLTP-NSHDSACASA-N 286.339 0.908 0 50 CCAA CCOc1ccc(N2CCN([C@H](CC)C(=O)O)CC2)nn1 662230819 HKDUHIUANHCEFY-LLVKDONJSA-N 294.355 0.861 0 50 CCAA Cc1nc(Cl)cc(N(C)CCN(C)CCO)n1 691297388 WOTZICWJRRUWSZ-UHFFFAOYSA-N 258.753 0.799 0 50 CCAA C[C@@H]1CNCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 218182215 CLGRLWKBRBTSOL-SNVBAGLBSA-N 299.352 0.967 0 50 CCAA COC(=O)c1nc(C)cc(N(C)CC2(O)CCC2)n1 1615552080 RGJUKJBUWQCDPK-UHFFFAOYSA-N 265.313 0.923 0 50 CCAA CN(C(=O)c1cnc(C2CC2)o1)C(C)(C)C(N)=O 908515073 LVTSTVYAXLAWSA-UHFFFAOYSA-N 251.286 0.888 0 50 CCAA O=C(CSC1=N[C@@H]2CCCC[C@H]2N1)N1CCOCC1 2812168 YKWHALHXTMWCPC-GHMZBOCLSA-N 283.397 0.849 0 50 CCAA Cc1ocnc1C(=O)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857711118 IGMLIZBENIRTPJ-OUAUKWLOSA-N 266.297 0.595 0 50 CCAA O=C1CN(S(=O)(=O)CCC(F)(F)F)CN1C1CC1 331822746 ZODYUMIWIPQNKU-UHFFFAOYSA-N 286.275 0.533 0 50 CCAA CNC(=O)NCC(=O)N1CCC[C@@H]1c1cc(C)no1 332379542 OCQXWKUSPIXQPE-SECBINFHSA-N 266.301 0.576 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2CSC2)C1 585131365 SYLWKANQHCAUMV-SECBINFHSA-N 292.426 0.280 0 50 CCAA CCOC(=O)N1CCN(C[C@H]2CCC(=O)N(C)C2)CC1 1772819547 OKPVDFJBHFWTRI-LBPRGKRZSA-N 283.372 0.629 0 50 CCAA CCCc1nc(C)cc(N2C[C@@H]3[C@@H](C2)C3(CO)CO)n1 1772814736 QCVUYAQHZYVYQC-VXGBXAGGSA-N 277.368 0.775 0 50 CCAA O=C(NN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccncc1 15685617 XWLCWOURHURFHP-QWRGUYRKSA-N 271.276 0.678 0 50 CCAA CN(CCc1ccccn1)C(=O)[C@H]1CCc2ncnn2C1 1857733243 BCBADFCWWAUGHW-LBPRGKRZSA-N 285.351 0.937 0 50 CCAA CC1(C(=O)N2CC[C@@H](c3cc(O)nc(=N)[nH]3)C2)CC1 630721754 FNSBUYFOCOLFKS-MRVPVSSYSA-N 262.313 0.711 0 50 CCAA CN1CC[C@H](C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)CC1=O 249648039 YASLZDGAFKILTG-GCDYTGCUSA-N 278.352 0.083 0 50 CCAA Cc1cnc(N(C)Cc2nnc3c(=O)n(C)ccn23)nc1 1120870625 BQZDLXVWMGVANB-UHFFFAOYSA-N 285.311 0.163 0 50 CCAA COC(=O)/C=C/CNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 1875272995 QRGCQQCZKAXDEQ-SNAWJCMRSA-N 295.339 0.220 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@H]1CCCc2n[nH]cc21 1875259367 ATFISRSTFJMNQB-BDAKNGLRSA-N 251.286 0.666 0 50 CCAA C[C@@H]1C[C@H]1S(=O)(=O)NC(=O)C1SCCS1 1875285184 FYPHGMJOOWPCFY-PHDIDXHHSA-N 267.397 0.647 0 50 CCAA O=C(c1cnn2cnnc2c1)N1CC[C@H](O)C12CCCC2 1875321348 FIPNBISOIMADDZ-NSHDSACASA-N 287.323 0.644 0 50 CCAA C=CC(=O)NC[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1875368162 WENMQACHZPFZHM-GHMZBOCLSA-N 272.370 0.493 0 50 CCAA CC(C)=C(F)C(=O)N1CCC[C@](O)(Cn2ccnn2)C1 886033158 JSMYOYYLLTYMGV-CYBMUJFWSA-N 282.319 0.895 0 50 CCAA CCC1(CC)CNC(=O)[C@H]1NC(=O)CCc1ncc[nH]1 886728319 UBOWXTTWVDAZSH-GFCCVEGCSA-N 278.356 0.763 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N=c2cc[nH]cc2)C1=O 888076447 LBEWCUVJAPKQNJ-LBPRGKRZSA-N 277.324 0.470 0 50 CCAA CO[C@H]1CCCCN(CC(=O)Nc2cn[nH]c2)C1=O 888076034 QXMXPPDHCCDDIY-JTQLQIEISA-N 266.301 0.376 0 50 CCAA O=C1CC[C@H]2CN(c3nccn(C(F)F)c3=O)CC[C@@H]2N1 1773101510 BNKXWKZJVMUGRE-IUCAKERBSA-N 298.293 0.743 0 50 CCAA O=C(COCC(F)(F)F)N1CCC[C@](F)(CO)C1 367805360 NFRSQIBUDNQZMK-SECBINFHSA-N 273.226 0.888 0 50 CCAA CN(C)CC1(O)CCN(C(=O)c2cncc(O)c2)CC1 710663562 GAHKVEDNWAVGQZ-UHFFFAOYSA-N 279.340 0.316 0 50 CCAA CCS(=O)(=O)CCN1CCNC(=O)CC1(C)C 931204020 XELJXDMDLMBLCV-UHFFFAOYSA-N 262.375 0.022 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1ccc(OC)nc1)C2 2100473494 NDPQPCDUPAPXIH-WFASDCNBSA-N 292.335 0.825 0 50 CCAA CCCS(=O)(=O)NC(=O)NCc1nocc1CC 2325841354 QFKCGHVBWPVLKF-UHFFFAOYSA-N 275.330 0.776 0 50 CCAA CC(C)n1ccnc1CNC(=O)[C@@H]1CN(C)CC[C@@H]1O 2356142856 KPWSJNIFDGMDRE-NEPJUHHUSA-N 280.372 0.393 0 50 CCAA CCNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 2864286 IKDFICGAUNQDKA-UHFFFAOYSA-N 285.369 0.436 0 50 CCAA Cc1noc(C)c1C(=O)N1CCN(S(C)(=O)=O)CC1 2872625 ZYRULSJWNSLALX-UHFFFAOYSA-N 287.341 0.009 0 50 CCAA O=S1(=O)CC[C@H](NS(=O)(=O)c2ccc(F)cc2)C1 3263884 XMAKFKYBMVQGOY-VIFPVBQESA-N 293.341 0.291 0 50 CCAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)CC(=O)O 248747660 FFQVLHBGPHQSML-OUAUKWLOSA-N 256.346 0.944 0 50 CCAA CCN1C[C@@H](C(=O)N2CC(OC(F)F)C2)CC1=O 437568601 LRTGISGYKYYBAV-ZETCQYMHSA-N 262.256 0.305 0 50 CCAA O=C(CCN1CCCCCC1=O)NCCc1cn[nH]c1 215786582 KVNOGMUKFIDELH-UHFFFAOYSA-N 278.356 0.861 0 50 CCAA CCN1CCC[C@@H]1CNC(=O)CCS(C)(=O)=O 75489713 BRRITUSWYALBPD-SNVBAGLBSA-N 262.375 0.022 0 50 CCAA CCc1nccn1CC(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1 72141808 ZTYJPXFATGBYJN-CQSZACIVSA-N 292.339 0.499 0 50 CCAA C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1c2ccccc2C[C@H]1C 252505794 NAWGYCWFCUCQGV-GBIKHYSHSA-N 296.392 0.974 0 50 CCAA C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)CS(C)(=O)=O 331227024 YJLFYFBKSTUYJP-MFKMUULPSA-N 297.376 0.882 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(Cc3ccon3)C[C@H]2C)CC1 257366407 WQERPINFKDEQJT-IUODEOHRSA-N 292.383 0.659 0 50 CCAA CN(CCN1CCCCC1=O)C(=O)c1ccc(=O)[nH]c1 219297142 ZCWBBUKDTKKTTI-UHFFFAOYSA-N 277.324 0.459 0 50 CCAA Cc1cc(CS(=O)(=O)N2CCC[C@@H](C(=O)O)C2)on1 262547436 SIUGTQZPCWXYMC-SECBINFHSA-N 288.325 0.609 0 50 CCAA O=C(CCOC1CCOCC1)N1CC(=O)N(CC2CC2)C1 333153297 BCIWZYYAKKNAFN-UHFFFAOYSA-N 296.367 0.610 0 50 CCAA Cc1nn(CCO)c(C)c1CN(C)C[C@H]1COCCO1 215961610 ZDMBHHJFJYBRAS-ZDUSSCGKSA-N 283.372 0.339 0 50 CCAA O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1C[C@@]12CCNC2 262305825 CEXSHTSUOQJFTP-HLLBOEOZSA-N 285.391 0.989 0 50 CCAA CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 223095037 VUODPMIQCOVTJD-CHWSQXEVSA-N 278.308 0.458 0 50 CCAA CN(C[C@H]1CCCN(Cc2ccno2)C1)S(C)(=O)=O 285680180 QYTYPDSIIYBDGP-LLVKDONJSA-N 287.385 0.778 0 50 CCAA CNS(=O)(=O)CCNC(=O)c1cc(C(C)C)on1 82098271 HJUVKKNHXCUTBS-UHFFFAOYSA-N 275.330 0.077 0 50 CCAA N[C@@H](CO)C(=O)NCCCc1nc2cc(F)ccc2[nH]1 220602465 JHKVTJAKUJBOBK-VIFPVBQESA-N 280.303 0.070 0 50 CCAA CSc1ncc(C(=O)NCCn2cncn2)cn1 222925480 DGYDFMBDPSQFEA-UHFFFAOYSA-N 264.314 0.220 0 50 CCAA O=c1c2cccn2cnn1Cc1noc([C@@H]2CCCO2)n1 95388828 DVBDWKJJIQVJIQ-JTQLQIEISA-N 287.279 0.779 0 50 CCAA NC(=O)Cc1cccc(NC(=O)NCCN2CCCC2)c1 97744795 QSUAEZGXPPBJHB-UHFFFAOYSA-N 290.367 0.932 0 50 CCAA CCN1CC[C@H](N(C)C(=O)[C@@H]2CCNC2)[C@@H](C)C1 236905521 RQANDDWVSGAEFW-XQQFMLRXSA-N 253.390 0.785 0 50 CCAA CC(C)=CC(=O)N1C[C@H](CO)[C@H](CN(C)CCN(C)C)C1 91575177 OVKSSZHAILCGSG-HUUCEWRRSA-N 297.443 0.513 0 50 CCAA O=C(CCCn1cncn1)N1CC[C@]2(CCCNC2=O)C1 91847612 YCTPPUQLOQBGLN-CQSZACIVSA-N 291.355 0.187 0 50 CCAA CCc1nnc(NCCN2CCCC[C@H]2CO)o1 91616701 YPEOMTAHNIKUDG-JTQLQIEISA-N 254.334 0.891 0 50 CCAA COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(C(C)C)C(=O)[C@H]13)O2 239121308 JRWQJZGOGNTXGY-QYTUQVAYSA-N 251.282 0.350 0 50 CCAA Cc1c(C(=O)OC[C@@H](C)O)[n+](=O)c2ccccc2n1O 526055751 QBSCHOUVVWWNJY-MRVPVSSYSA-N 279.272 0.639 0 50 CCAA Cc1cn(CCNc2cc([C@H]3C[C@@H](O)C3)ncn2)nn1 244734579 NIFPWYZKVWEJSZ-PHIMTYICSA-N 274.328 0.727 0 50 CCAA CC(=O)NCCNC(=O)CN[C@H](C)c1ccc(F)c(F)c1 182203960 JGHMXOFMXXRENJ-SECBINFHSA-N 299.321 0.868 0 50 CCAA Cc1nccn1CCN(C)CCc1cnc(O)n(C)c1=O 253536085 HKTIMDGCKTZPLY-UHFFFAOYSA-N 291.355 0.165 0 50 CCAA Cc1cccc(OC2CN(C(=O)N[C@@H]3CCNC3=O)C2)c1 534657518 OATUMWOCAFYDGO-CYBMUJFWSA-N 289.335 0.656 0 50 CCAA Cc1noc([C@H]2CCN(C(=O)CCCn3cncn3)C2)n1 299793317 ILHDFIXTNJKKLJ-NSHDSACASA-N 290.327 0.766 0 50 CCAA O=C(Nc1ccc2cn[nH]c2c1)N1CCS(=O)(=O)CC1 299777839 RCENJORURAABCT-UHFFFAOYSA-N 294.336 0.825 0 50 CCAA O=C(NC[C@@]1(O)CCCNC1)Nc1ccc2[nH]ncc2c1 299797716 OSWKQEFFPOFKGZ-CQSZACIVSA-N 289.339 0.799 0 50 CCAA NC(=O)C1(NC(=O)c2ncn[nH]2)CCCCCC1 299797699 PZBIRQRSHIGBEZ-UHFFFAOYSA-N 251.290 0.113 0 50 CCAA Cc1cccc(C[C@@H](C)NC(=O)CCCn2cnnn2)n1 584889755 WTTHHZNWZRQRDZ-GFCCVEGCSA-N 288.355 0.904 0 50 CCAA CCOCCC(=O)N1CC[C@@H](CN(C)C)[C@H](O)C1 584900285 DETKJSGVDNLNPT-NWDGAFQWSA-N 258.362 0.184 0 50 CCAA CN(C[C@H]1CCN(C)C1(C)C)C(=O)CN1CCOCC1 584895675 AORMYXBKCXHTLN-CYBMUJFWSA-N 283.416 0.507 0 50 CCAA CCOC(=O)c1cc(-c2cnc(C(=O)O)nc2)[nH]n1 675069256 DNYLKGLAZWSQPU-UHFFFAOYSA-N 262.225 0.742 0 50 CCAA O=C(CC1CCNCC1)NCc1nc(C(F)(F)F)n[nH]1 584895789 GPODNNZKFVMYLT-UHFFFAOYSA-N 291.277 0.829 0 50 CCAA Cc1ccncc1N1CCN(c2nccn(C)c2=O)CC1 408173275 IZZMRIMSFJTNBM-UHFFFAOYSA-N 285.351 0.810 0 50 CCAA C=CC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 408525892 HOVYFSNECDJXCO-JTQLQIEISA-N 258.343 0.199 0 50 CCAA Cn1nncc1CC(=O)N1CCO[C@@H](c2ccccc2)C1 665896261 XTRUERANNDKHBM-CQSZACIVSA-N 286.335 0.958 0 50 CCAA CCn1ncnc1CN1CCC[C@H](CC(N)=O)CC1 671507945 JWJLAJXIBRBLOG-NSHDSACASA-N 265.361 0.776 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(c2ccnc(C3CC3)n2)C1 643720529 HEJPLDKCHZCEDY-HNNXBMFYSA-N 290.367 0.821 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2nccn2C)C1 643754853 HCQGRSARLMKHTJ-CQSZACIVSA-N 280.372 0.225 0 50 CCAA CCS(=O)(=O)NCCNC(=O)C(F)=C1CCC1 585088735 KMQQONIPIGOSJQ-UHFFFAOYSA-N 264.322 0.449 0 50 CCAA CCn1ncc(C)c1NC(=O)N1CCO[C@H](C(=O)OC)C1 597050653 APFQZTLLRDWHRN-JTQLQIEISA-N 296.327 0.617 0 50 CCAA O=C([C@@H]1NCC12CCCC2)N1CCCn2nncc2C1 1615548836 UBZGBHFYFKUSBO-LBPRGKRZSA-N 275.356 0.543 0 50 CCAA CN1C[C@H](CN2CCC(C)(CO)CC2)CCC1=O 1800414151 LNIAOYZSNWREHT-GFCCVEGCSA-N 254.374 0.949 0 50 CCAA O=C(c1ccc(Cl)o1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772818921 AXNMEKPJPFIRPZ-HTQZYQBOSA-N 271.700 0.606 0 50 CCAA Cc1cc(CC(=O)NC[C@@H]2Cc3nnc(C)n3C2)on1 1772712058 GOAWSFKGACYXFW-JTQLQIEISA-N 275.312 0.414 0 50 CCAA COC(=O)c1ccc(CN2CCN(C)[C@@H](CCO)C2)cc1 19838181 LXSBCRVLWWPZGJ-HNNXBMFYSA-N 292.379 0.972 0 50 CCAA CC[C@@]12COC(=O)N1CCN(c1ncnc3[nH]cnc13)C2 1857682637 KZVSHBWEZXIUSD-CYBMUJFWSA-N 288.311 0.774 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCCc2nccn2C)CC[C@@H]1N 1857723884 ASGDAZBOFKAWDV-SRVKXCTJSA-N 280.372 0.221 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)c1cc3ccccc3[nH]1)C2 1857737863 HBZLUVHDMNXNBB-NEPJUHHUSA-N 299.330 0.755 0 50 CCAA NC(=O)C[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 119568903 PIYKKCFRGKMKBD-SMDDNHRTSA-N 275.352 0.800 0 50 CCAA CN(C)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 328587349 GDQDBKFIDOPGOH-HNNXBMFYSA-N 289.379 0.909 0 50 CCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cnn2c1CCC2 656857157 GDOBUKKXGUHSEE-CYZMBNFOSA-N 287.323 0.130 0 50 CCAA Cc1ccc(S(=O)(=O)NCCN2CCNCC2)cc1 19680828 PSRMWQDBWRSQAF-UHFFFAOYSA-N 283.397 0.179 0 50 CCAA in-vitro O=C(c1cc(=O)cc[nH]1)N1CCC[C@@H](Cn2cncn2)C1 933240013 SPZSCEKTXDYBND-LLVKDONJSA-N 287.323 0.519 0 50 CCAA C[C@H](O)[C@@H](O)CNC(=O)c1ccc(Cn2cccn2)cc1 871125586 OSJFDLZVGAMQDR-FZMZJTMJSA-N 289.335 0.403 0 50 CCAA CC[C@@H]1C[C@@H](C(=O)N2CCCc3n[nH]cc3C2)CC(=O)N1 952892711 PLFBAOWPUAGKEA-ZYHUDNBSSA-N 290.367 0.989 0 50 CCAA CO[C@@]1(C)C[C@@H](NS(=O)(=O)c2cn[nH]c2)C1(C)C 1875261113 MKGRFYNJTMGWEJ-KOLCDFICSA-N 273.358 0.892 0 50 CCAA CCN(C)S(=O)(=O)NCc1cc(C(=O)O)ccc1F 1875262906 OSKKIZDQGMXBQC-UHFFFAOYSA-N 290.316 0.810 0 50 CCAA Cn1cc(C(=O)NS(C)(=O)=O)c(-c2cccnc2)n1 1875390777 JSOXKIADRREBDR-UHFFFAOYSA-N 280.309 0.172 0 50 CCAA CO[C@H](C)c1noc(Cn2nnn(C(C)C)c2=O)n1 1875355904 GIQJVDZOKYKXON-SSDOTTSWSA-N 268.277 0.159 0 50 CCAA NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C1 292069616 XCVGDFRPKBKZRB-KZWBYHQPSA-N 264.325 0.037 0 50 CCAA Cc1cc(C(=O)N2CCN(C[C@H](C)O)CC2)cc(O)n1 189756628 YWAKDXSDEJINJN-NSHDSACASA-N 279.340 0.234 0 50 CCAA CC[C@@H]1CC[C@H](C(=O)N2CCO[C@H]([C@@H](C)O)C2)O1 408470884 ROBLXYKGSZOLHK-KKOKHZNYSA-N 257.330 0.552 0 50 CCAA CCc1ncc(S(=O)(=O)N2CCC[C@]3(CCNC3)C2)[nH]1 534653065 PTPOQBVDMTXIGC-CYBMUJFWSA-N 298.412 0.736 0 50 CCAA CN(CC(=O)Nc1cnn(C)c1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100556670 OLJXXEUBYLOESK-WVKUQDAKSA-N 292.383 0.840 0 50 CCAA CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)C12CC1C2 2325898203 WRVCZPOHUACTQH-XQVHRTOBSA-N 270.329 0.398 0 50 CCAA O=C(N[C@H]1CCNC1=O)N[C@@H]1CCCC2(CC2)C1 895624657 ACITVHYKJSKRNE-ZJUUUORDSA-N 251.330 0.897 0 50 CCAA Nc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)CC(=O)N2 1654764 UUGDEEFHTZJKDE-QMMMGPOBSA-N 256.265 0.826 0 50 CCAA Cc1nc(N2CCS(=O)(=O)CC2)nc(C)c1C 2356139072 MGKGSSYDOLNSRJ-UHFFFAOYSA-N 255.343 0.637 0 50 CCAA Cc1oc(C(C)(C)C)cc1C(=O)NCC(=O)NCC(=O)O 2578340 HUZDCZIRBTZJNL-UHFFFAOYSA-N 296.323 0.816 0 50 CCAA O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F 4267460 ZXMGHDIOOHOAAE-UHFFFAOYSA-N 281.155 0.275 0 50 CCAA in-vitro Cc1cc(N2CCNC2=O)ccc1NS(=O)(=O)N(C)C 225663275 SCCSJSZWRIOMOY-UHFFFAOYSA-N 298.368 0.743 0 50 CCAA O=C1CCC(C(=O)Nc2cnc3n2CCCC3)=NN1 67757486 FWLOMHPVXWLFPF-UHFFFAOYSA-N 261.285 0.424 0 50 CCAA Nc1nc(CCN2C[C@H](C(=O)O)CC2=O)cs1 65381072 UCGGKOQLUURYLN-ZCFIWIBFSA-N 255.299 0.201 0 50 CCAA O=C1NCCCc2[nH]c(CCN3CCC[C@H](O)C3)nc21 65490949 ITDFVAZKXKRQIS-JTQLQIEISA-N 278.356 0.085 0 50 CCAA CC(C)Nc1cc(N2CCN(C)[C@@H](C(=O)O)C2)ncn1 216418011 VFGJPBULLSSIAC-SNVBAGLBSA-N 279.344 0.502 0 50 CCAA Cc1cccc2nc(Cn3nnc4c(cnn4C)c3=O)cn12 154403849 AQHYLRQUWFPPFN-UHFFFAOYSA-N 295.306 0.529 0 50 CCAA Nc1nc(C(=O)NC2(C(=O)O)CCOCC2)cs1 127555384 FPJZWKDIJMDDFR-UHFFFAOYSA-N 271.298 0.089 0 50 CCAA CC[C@H](NC(=O)C1(C)CC1)C(=O)N1CCOCC1 124680422 VVNBPCUBSSVKER-JTQLQIEISA-N 254.330 0.540 0 50 CCAA CC(C)c1nccn1CCC(=O)N1CC[C@@H](N)C1 236825566 YDBOUTHCZCAYON-LLVKDONJSA-N 250.346 0.956 0 50 CCAA CO[C@@H](C(=O)N1CCC[C@H](n2ccnn2)C1)C1CC1 333222484 AGXIULDZFCRAKK-NWDGAFQWSA-N 264.329 0.867 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 284660705 WRBBTAFCISEIKQ-OLZOCXBDSA-N 292.383 0.582 0 50 CCAA COCCNC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O 49551629 NCDGNYJRDPACGZ-UHFFFAOYSA-N 292.335 0.906 0 50 CCAA CCCc1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)no1 82108460 QNJQZLBGHZQPSS-QMMMGPOBSA-N 270.310 0.668 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)CCn2cncn2)C1 92028887 PIRHXYFLIIVNOL-CQSZACIVSA-N 296.371 0.306 0 50 CCAA O=C([C@H]1CSCN1)N1CC[C@](O)(C(F)(F)F)C1 161815553 SZUPCXLRFHENES-HTRCEHHLSA-N 270.276 0.175 0 50 CCAA Cc1cc(CNC(=O)[C@@H]2Cc3ccccc3C(=O)N2)n(C)n1 97610041 FJURYLYQVPYZGL-AWEZNQCLSA-N 298.346 0.699 0 50 CCAA CC(C)c1cc(C(=O)N[C@H]2CCCNC2=O)n(C)n1 91943078 VJKLGAGJBRIGJV-VIFPVBQESA-N 264.329 0.552 0 50 CCAA CC(C)C[C@H]1C(=O)NCCCN1C(=O)c1ncn(C)n1 293832096 GFMTZEBLMZRWOH-JTQLQIEISA-N 279.344 0.192 0 50 CCAA O=C(Cn1cn[nH]c1=O)N1CCC[C@@H]2CCC[C@H]21 180575225 CFAOVIFTZVGEDX-VHSXEESVSA-N 250.302 0.363 0 50 CCAA Cc1cc(C)n([C@H](C)CNC(=O)c2[nH]cnc2C(=O)O)n1 97553271 ZIFPGTOFUFUVMQ-SECBINFHSA-N 291.311 0.912 0 50 CCAA Nc1nc(N2CCSCC2)cc([C@H]2C[C@@H](N)C2)n1 253378431 FFLLRNFLQWLENS-DTORHVGOSA-N 265.386 0.817 0 50 CCAA Cn1c(SCCn2cnnc2)nnc1C1CCNCC1 534633543 PMQDXDFEUUEYLP-UHFFFAOYSA-N 293.400 0.666 0 50 CCAA C[C@@H](CN1CCCCC1)C(=O)NCCn1ccnn1 534655982 OOKJFZWOUJRDCK-LBPRGKRZSA-N 265.361 0.516 0 50 CCAA CC(C)C(=O)N1CCC(C(=O)NCCn2ccnn2)CC1 299756396 HUOWYQKKUOHBPP-UHFFFAOYSA-N 293.371 0.289 0 50 CCAA CN(Cc1nncn1C)C(=O)CCCc1cn[nH]c1 584888705 ZOQFJIPCEOBSMK-UHFFFAOYSA-N 262.317 0.520 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)c1cnc(NC)nc1 584888874 VSFIQKGAHCMTKZ-LLVKDONJSA-N 274.328 0.923 0 50 CCAA Cc1nn(C)cc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 685940489 MGVHSVZCTMAROS-NSHDSACASA-N 295.339 0.586 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CC1)NCCCNC2=O 59270601 ZMAXWXREJIFKEE-UHFFFAOYSA-N 283.372 0.866 0 50 CCAA in-vitro Cc1nc(O)nc(O)c1CC(=O)NC1(C)CCC1 952985503 FBXKGXZZOJEFFQ-UHFFFAOYSA-N 251.286 0.798 0 50 CCAA CCS(=O)(=O)NC(=O)[C@@H]1CCN(CC(F)(F)F)C1 408483938 MZOXAQZBYTVWBG-SSDOTTSWSA-N 288.291 0.337 0 50 CCAA COc1cccc2c1CCN(C(=O)[C@H]1CCC(=O)N1)C2 272793292 DQKKOZKLNXOFLO-GFCCVEGCSA-N 274.320 0.859 0 50 CCAA CCOc1cc(N2CCCN(CCO)CC2)ncn1 185359030 LPIZIKAZVMRLPG-UHFFFAOYSA-N 266.345 0.380 0 50 CCAA C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1ccn(C)n1 585126706 GPOSOWKFRMULSV-BBBLOLIVSA-N 264.329 0.500 0 50 CCAA COC(=O)[C@@H](NCc1nc2ccccc2n1C)[C@@H](C)O 191015402 DUHTVVDKPVFWKU-RNCFNFMXSA-N 277.324 0.585 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cc[nH]c(=N)c1 643829941 RZOHTZGBOYFHIC-CQSZACIVSA-N 278.356 0.221 0 50 CCAA O=C(Cc1ccc(F)cc1F)N1CC[C@H](CO)[C@@H](O)C1 192622605 BJQPHFZAJANHQM-MFKMUULPSA-N 285.290 0.709 0 50 CCAA CCC(CC)(C(=O)O)C(=O)N(C)Cc1nc[nH]n1 653289243 NCVQQNLXCIIOPT-UHFFFAOYSA-N 254.290 0.654 0 50 CCAA CCNC(=O)N[C@H]1CCN(c2nc(O)cc(COC)n2)C1 1616034436 LLRYBBQVOSHLGX-VIFPVBQESA-N 295.343 0.226 0 50 CCAA CO[C@H]1COC[C@@H]1S(=O)(=O)NCCCc1ccccc1 1616036434 MNUMTXIKPPNIKJ-KBPBESRZSA-N 299.392 0.952 0 50 CCAA Cn1nc(NC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1C(F)(F)F 1646997174 CYQMGHMEHYOXJF-PHDIDXHHSA-N 290.245 0.889 0 50 CCAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)NCCC(=O)O 1506422689 BSUUAIUJMJZWRL-JTQLQIEISA-N 285.344 0.504 0 50 CCAA CN(C(=O)c1n[nH]c2ccccc12)[C@H]1COC[C@@H]1O 219941487 AVHGSQFIWMUMGQ-QWRGUYRKSA-N 261.281 0.395 0 50 CCAA C[C@H]1CCCCN1CC(=O)N(CCO)Cc1ncc[nH]1 1704314782 SDLAOWJAHZUNNA-LBPRGKRZSA-N 280.372 0.605 0 50 CCAA O=C(O)CN1CCN(Cc2cccc(F)c2)C(=O)C1 238160074 LINLNGCHAZRCLP-UHFFFAOYSA-N 266.272 0.555 0 50 CCAA CCN1CCO[C@H](C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 247335194 VVCCSTXKOBZSOW-UPJWGTAASA-N 269.389 0.293 0 50 CCAA CO[C@@H](C)c1noc(Cn2cnn(C(C)(C)C)c2=O)n1 155859464 BHMOUDMRTBXJQI-QMMMGPOBSA-N 281.316 0.939 0 50 CCAA CN(C)C[C@]12CNC[C@H]1CN(c1nccs1)C2 1772710062 UTKGDYWSESNPQA-JQWIXIFHSA-N 252.387 0.731 0 50 CCAA Cc1cc(CN2CCN(C[C@H](C)O)[C@H](C)C2)on1 247197556 OTAGCMFUTLVUOQ-NEPJUHHUSA-N 253.346 0.870 0 50 CCAA Cc1oc2c(c1C(=O)NCC(=O)NCC(=O)O)CCCC2 5017639 ZAWWJUFNLZNJHP-UHFFFAOYSA-N 294.307 0.397 0 50 CCAA O=C(O)CCC(=O)N1CCN(c2ccccn2)CC1 12340547 XMGUUCBOUCQYNW-UHFFFAOYSA-N 263.297 0.595 0 50 CCAA CN1CCc2cc(-c3nc(N4CCOCC4)n[nH]3)cnc21 1875248687 GYNJJNRYEHGDGB-UHFFFAOYSA-N 286.339 0.696 0 50 CCAA Cc1cccc(S(=O)(=O)NCCN)c1Br 225477277 ZQOLWPFCNUDAEO-UHFFFAOYSA-N 293.186 0.995 0 50 CCAA O=C(c1ccc2nc(O)[nH]c2c1)N1C[C@@H](F)C[C@H]1CO 334358972 UWCYJTVCCMHMGX-IUCAKERBSA-N 279.271 0.813 0 50 CCAA CC[C@@H](C)C(=O)NCC1(OCCO)CCOCC1 252480192 BXTIAIXYUNNECD-LLVKDONJSA-N 259.346 0.707 0 50 CCAA CC(C)n1ccc(CNC(=O)[C@H]2CCCC(=O)N2)n1 584092342 YQZDPSONGAIGNC-LLVKDONJSA-N 264.329 0.749 0 50 CCAA O=C(CC1(O)CCC1)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12 907956555 CBMWGVNVENUUAT-DBIOUOCHSA-N 267.325 0.907 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H](CO)Cc1ccc(C)cc1 861216815 NQNHKRUQOKTWOD-AWEZNQCLSA-N 290.363 0.659 0 50 CCAA CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@H]1CC[C@@H](N)C1 236622494 NQXXTRZVFANZCG-HBNTYKKESA-N 253.346 0.097 0 50 CCAA CNc1cnc(-c2noc([C@H]3CCc4nn[nH]c4C3)n2)cn1 952895174 RVIOZDXECZSISR-ZETCQYMHSA-N 298.310 0.959 0 50 CCAA COCc1cnc(NC(=O)NC2CS(=O)(=O)C2)s1 1875296390 UHOXROWKGUYTMQ-UHFFFAOYSA-N 291.354 0.208 0 50 CCAA Cc1ccc(C(=O)NCC(=O)NCc2cnn(C)n2)cc1 1875257248 LDHLUSNFDGJLOO-UHFFFAOYSA-N 287.323 0.170 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@@H]1CCCc2n[nH]cc21 1875259370 ATFISRSTFJMNQB-RKDXNWHRSA-N 251.286 0.666 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1cc(C2CCC2)n[nH]1 1875370379 MPYUCIFBLIUNTP-UHFFFAOYSA-N 276.340 0.938 0 50 CCAA N[C@H](C(=O)NCc1cc(O)nc(O)n1)c1cccs1 1875345409 ZNFMBDOQIRSPQX-VIFPVBQESA-N 280.309 0.266 0 50 CCAA C[C@@H]1CO[C@@H](CN(C)C(=O)[C@H](O)Cc2cn(C)cn2)C1 1875323716 QCRMCDWTRQWUTI-CYZMBNFOSA-N 281.356 0.207 0 50 CCAA CC(C)=C(F)C(=O)N1CCC[C@@](O)(Cn2ccnn2)C1 886033164 JSMYOYYLLTYMGV-ZDUSSCGKSA-N 282.319 0.895 0 50 CCAA COc1cc(C2=C3[C@@H](C=CS3(=O)=O)ON2)ccc1O 888102129 DCRARLGFDNQUEK-SECBINFHSA-N 281.289 0.915 0 50 CCAA COCc1nocc1C(=O)N1C[C@H](N)C2(CCC2)C1 1775962455 LIDRHYRITHJRHC-NSHDSACASA-N 265.313 0.774 0 50 CCAA CCN1CCOC[C@H]1CC(=O)N(C)C[C@@H](O)C1CC1 1775998084 RMVVNPLLSLYQRQ-CHWSQXEVSA-N 270.373 0.327 0 50 CCAA NC(=O)CN1CCN(Cc2ccc(F)cc2)CC1 20457823 IZKFQBWHBXYJLC-UHFFFAOYSA-N 251.305 0.429 0 50 CCAA CCS(=O)(=O)N1CCNC[C@H]1c1ccccc1 257229615 FYTVJALFDNXRBG-LBPRGKRZSA-N 254.355 0.983 0 50 CCAA CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](N)C1 262632737 NQXXTRZVFANZCG-OUAUKWLOSA-N 253.346 0.097 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](O)CC1 331400357 CYAPDFRDRVLMBF-LLVKDONJSA-N 251.330 0.942 0 50 CCAA C[C@@H]1CN(CCNC(=O)Nc2ccns2)CCO1 932023556 NFSTZGRKJCILQZ-SECBINFHSA-N 270.358 0.985 0 50 CCAA O=C(O)CCC(=O)NC[C@@H]1COc2ccccc2O1 117742 HCGXNPQDNIEHBJ-SECBINFHSA-N 265.265 0.807 0 50 CCAA Cc1ccc(S(=O)(=O)Nc2c(C)nc(O)[nH]c2=O)cc1 210841 ADGPKNRUBUWEOC-UHFFFAOYSA-N 295.320 0.893 0 50 CCAA CC(=O)c1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1 1111250 SMZWILRAGJSPKJ-UHFFFAOYSA-N 298.364 0.743 0 50 CCAA Cn1cnc2nc(N[C@@H]3CCCCNC3=O)ncc21 2356143296 BNMWSOTUSFUHDG-MRVPVSSYSA-N 260.301 0.444 0 50 CCAA Cn1cnc(S(=O)(=O)N2[C@H]3CCC[C@@H]2C[C@H](O)C3)c1 2356156000 QZVSZCOHHXOLHB-URLYPYJESA-N 285.369 0.487 0 50 CCAA NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 4205807 XLDWJOJGHKMPOR-UHFFFAOYSA-N 256.327 0.166 0 50 CCAA COC(=O)[C@H](C)N(C)CC(=O)NC1CCN(C2CC2)CC1 225472120 FFAKKKGFXGDPQI-NSHDSACASA-N 297.399 0.223 0 50 CCAA NC(=O)c1cc[n+](COCN2C=CC=C/C2=C/N=O)cc1 100471580 FJZDLOMCEPUCII-LCYFTJDESA-O 287.299 0.998 0 50 CCAA investigational Cn1nnnc1S[C@@H]1CC(=O)N(c2ccccc2)C1=O 100122688 CYINJCKAAXWNHN-SECBINFHSA-N 289.320 0.634 0 50 CCAA C[C@@H](CN)CNC(=O)NC[C@@H]1NCCc2ccccc21 418500399 ZGMIUAVMFAUPSA-FZMZJTMJSA-N 276.384 0.767 0 50 CCAA O=S(=O)(N[C@@H]1CCc2ccccc2C1)N1CCOCC1 408116302 VZQAMKKUJSSJDS-CQSZACIVSA-N 296.392 0.711 0 50 CCAA O=C(CO)NC[C@@H]1CCN(Cc2cccc(O)c2)C1 67756929 SUWLRNXIJNPLJI-LBPRGKRZSA-N 264.325 0.323 0 50 CCAA CCn1cc(C(=O)N2CC[C@@](O)(CC)[C@@H](O)C2)cn1 219378697 OLHDJUZPPPDLTG-AAEUAGOBSA-N 267.329 0.251 0 50 CCAA COCC(=O)N1CCN(Cc2ccoc2)C[C@H](C(=O)O)C1 219639836 HJEZMWYFIRWALD-LBPRGKRZSA-N 296.323 0.271 0 50 CCAA NC(=O)c1ccnc(N2CCC(N3CCCC3=O)CC2)c1 71774425 RKODTDJJBYFQPL-UHFFFAOYSA-N 288.351 0.772 0 50 CCAA CCCc1cc(N2CCNC(=O)C2)n2nccc2n1 72475989 QGIMBQXBYDTVIN-UHFFFAOYSA-N 259.313 0.618 0 50 CCAA Cn1cc(S(=O)(=O)NCCc2cscn2)cn1 158033703 XRHKDHTUYRGPAU-UHFFFAOYSA-N 272.355 0.398 0 50 CCAA CCOCCC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C 378007533 PADOHUAVHNOPFW-CHWSQXEVSA-N 270.373 0.735 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)CNC(N)=O 216295852 IWYMIXHMFQMMCU-QMMMGPOBSA-N 253.306 0.214 0 50 CCAA Cn1cc(CN2CCC[C@](O)(Cn3ccnn3)C2)cn1 284460130 DXFAKPUOGXWYPL-CYBMUJFWSA-N 276.344 0.039 0 50 CCAA COc1ccccc1CN1C(=O)N[C@H](CC(=O)O)C1=O 504170949 ZPKAOBMXCUSFFX-SECBINFHSA-N 278.264 0.590 0 50 CCAA CC/C=C/CC(=O)N[C@@H]1CCOC[C@H]1OCCO 223654663 SKJNHBMDUSHEFA-BLDJZWNYSA-N 257.330 0.625 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)c1n[nH]c2c1CCC2 222767169 OOPROAIIWONADK-GHMZBOCLSA-N 265.313 0.432 0 50 CCAA CN(C(=O)CCc1ccc(O)cc1)[C@H]1COC[C@@H]1O 222712588 QWHRSJGCPZIJBW-STQMWFEESA-N 265.309 0.543 0 50 CCAA Cc1ccc(C(=O)N2CCNC[C@@H]2C)cc1S(N)(=O)=O 179116196 CNPTWFNTRGKGSM-JTQLQIEISA-N 297.380 0.076 0 50 CCAA CS(=O)(=O)NCCc1ncnn1CCc1ccccc1 91745594 WDTKIQPCRZGFLJ-UHFFFAOYSA-N 294.380 0.613 0 50 CCAA CN(C)[C@@H](C(=O)NCC(=O)NC1CC1)c1ccccc1F 91486950 OFQKBPWRYCIFFS-CQSZACIVSA-N 293.342 0.823 0 50 CCAA CN(C)c1nc(N)cc(-c2ccccc2C(N)=O)n1 97784804 KRSDFSXPAUFHSF-UHFFFAOYSA-N 257.297 0.891 0 50 CCAA CCn1cc(S(=O)(=O)NC2(C(=O)O)CCCC2)cn1 534784274 DNGWAHJKEMYVPA-UHFFFAOYSA-N 287.341 0.579 0 50 CCAA CNC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 238881472 AADXGBURSQLPGX-GAIPPQHRSA-N 262.309 0.320 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)CCOC[C@@H]2CCCO2)C1 299743932 QATBIGBONPGQNC-QWRGUYRKSA-N 271.313 0.505 0 50 CCAA Cc1noc([C@@H](C)NC(=O)c2ccc3nnnn3c2)n1 531562459 YOQCHTRABONOTI-ZCFIWIBFSA-N 273.256 0.307 0 50 CCAA Nc1ccnc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 299788681 WNKHFHZIOKWIIH-UWVGGRQHSA-N 273.300 0.001 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)c1cnc(N)s1 827590619 JQFLMAKQNWUNMG-UHFFFAOYSA-N 277.353 0.693 0 50 CCAA Cc1ncn(CCNC(=O)CSc2nncn2C)c1C 827847810 XVGHKGJFIVVIQM-UHFFFAOYSA-N 294.384 0.537 0 50 CCAA CC(=O)N1CCO[C@H](CNc2nc(C)ccc2C(=O)O)C1 584890103 IVZFRKDJQZGAJR-LLVKDONJSA-N 293.323 0.747 0 50 CCAA Cc1nc(CCN(C)C(=O)[C@@H](C)Cn2cccn2)no1 827628123 XEVCKAUMXCLSDF-JTQLQIEISA-N 277.328 0.912 0 50 CCAA C[C@H](C(=O)NC1CCS(=O)(=O)CC1)N1CCCC1 670450309 KBPPBRBRHJCQHX-SNVBAGLBSA-N 274.386 0.164 0 50 CCAA C[C@@H](NCC(C)(C)N1CCOCC1)c1nncn1C 952966579 KLJYAIQGMBDAQS-LLVKDONJSA-N 267.377 0.577 0 50 CCAA COc1cccc(C)c1C(=O)NC[C@@H](O)CN(C)C 952871678 AWCIEHAIVKIMPQ-LLVKDONJSA-N 266.341 0.656 0 50 CCAA COC[C@@H](NC(=O)C1=C(C)OCCO1)c1ccnn1C 952973113 BLMWATSWGXAHFA-SNVBAGLBSA-N 281.312 0.502 0 50 CCAA C/C=C/CC(=O)N[C@H]1CCOC[C@@H]1OCCN(C)C 1565508642 DXNSAGMFGHWUHV-WWKJKZQJSA-N 270.373 0.805 0 50 CCAA CCOc1cc(N2CCCN(CC(=O)NC)CC2)ncn1 1472880855 BGNIVORZOTTXPT-UHFFFAOYSA-N 293.371 0.133 0 50 CCAA O=C1C[C@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)CCN1 305205423 YMPHOPXPIDGOCD-MPKXVKKWSA-N 274.320 0.287 0 50 CCAA Cc1nc(CN2CCN(C(=O)[C@@H](C)N)CC2)oc1C 167514948 URROYIFNKYEPOR-SECBINFHSA-N 266.345 0.283 0 50 CCAA CCO[C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1CN 634294745 NLJSMCRWADMUQF-DGCLKSJQSA-N 292.383 0.655 0 50 CCAA C[C@@H](c1ccccc1)[C@H](O)CN[C@@H]1COC[C@@H]1O 634725638 ZIADWORZSUQZOE-ASEORRQLSA-N 251.326 0.500 0 50 CCAA O=C(Nc1ccc2c(c1)OCCO2)NN1CCC[C@H]1CO 585118839 DUJJHPREZSUOKF-NSHDSACASA-N 293.323 0.951 0 50 CCAA C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@H]1C(=O)O 648450877 QYJNJKKCCKJZOE-KOLCDFICSA-N 280.280 0.161 0 50 CCAA O=C(N1C[C@H](O)[C@@H](F)C1)C1(N2CCCC2)CCCC1 1616112399 JPKKQVGFHKKGSA-RYUDHWBXSA-N 270.348 0.936 0 50 CCAA CSCC[C@@H](O)C(=O)N(C)CCn1ccnc1 219387277 XQJBKFJLCDTSCE-SNVBAGLBSA-N 257.359 0.456 0 50 CCAA O=C(C1CCC1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529152846 ZPHNTLSFSUTTBO-DGCLKSJQSA-N 261.325 0.639 0 50 CCAA COc1cc(C)c(Cl)cc1S(=O)(=O)NCCO 11566260 BLQODKWLPZHEGA-UHFFFAOYSA-N 279.745 0.928 0 50 CCAA Cn1ccnc1C(=O)NCc1cccn2nccc12 1772812391 HNVAORAPPLDWOT-UHFFFAOYSA-N 255.281 0.998 0 50 CCAA NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19345777 PJFZSTVTOAARPQ-UHFFFAOYSA-N 277.324 0.018 0 50 CCAA Cn1nc(C(=O)O)nc1N1CCC[C@@H](Cn2ccnc2)C1 1857677983 HLUJDTRVCVCHHV-JTQLQIEISA-N 290.327 0.626 0 50 CCAA Cc1ncnc(C)c1C(=O)NC[C@H]1Cc2nnc(C)n2C1 1857686722 DKLPOTUUXBECDN-LLVKDONJSA-N 286.339 0.596 0 50 CCAA Cc1nc2ccccc2nc1-c1nccn1[C@@H](CO)C(N)=O 1857687280 OAYIOQBPQQOFJW-LBPRGKRZSA-N 297.318 0.820 0 50 CCAA N=C(N)NCCC[C@H]1NC(=S)N(c2ccccc2)C1=O 2116330 ZURXKEWGRJYSHJ-SNVBAGLBSA-N 291.380 0.540 0 50 CCAA biogenic,in-vitro C[C@H]1C(=O)CC[C@H]1CC(=O)N(C)CCS(C)(=O)=O 225419735 IPUFCLGOWWNPKD-ZJUUUORDSA-N 275.370 0.495 0 50 CCAA O=C(NCCc1cn[nH]c1)N1CCOC[C@H]1[C@@H]1CCCO1 332849508 JXHNEHBQFRCSIN-STQMWFEESA-N 294.355 0.542 0 50 CCAA CCOC(=O)CN1CCCN(c2cnccn2)CC1 253433424 WRHZWQVYJFEKBO-UHFFFAOYSA-N 264.329 0.552 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCC(=O)NC 861687602 USRXAKOZNKVBBA-GFCCVEGCSA-N 295.383 0.538 0 50 CCAA NC(=O)[C@H]1CC[C@@H](C2CCN(c3ncc(F)cn3)CC2)O1 952890242 QIRUHTGOFGRLNW-NWDGAFQWSA-N 294.330 0.865 0 50 CCAA CO[C@H]1COCC[C@@H]1N1CCN(C(=O)OCCF)CC1 952963903 NDINDTRROKBROP-RYUDHWBXSA-N 290.335 0.514 0 50 CCAA COc1cc(C)nc(NCCn2ccc(O)nc2=O)n1 952993425 XKBSTUZKIOVYHR-UHFFFAOYSA-N 277.284 0.168 0 50 CCAA CC(C)(C)c1noc(=O)n1Cc1nnnn1C1CC1 1875259095 OFGLPBBIEPLUNV-UHFFFAOYSA-N 264.289 0.504 0 50 CCAA O[C@H]1c2ccccc2C[C@H]1N1CCN(c2nc[nH]n2)CC1 1875281441 BEIPWXVYCNJSCW-KGLIPLIRSA-N 285.351 0.585 0 50 CCAA CC(C)c1nc(=NC(=O)N[C@H]2C[C@@H](CO)C2)s[nH]1 1875297005 YVDMWFOUYWQDOI-OCAPTIKFSA-N 270.358 0.976 0 50 CCAA Cn1cncc1CC(=O)N[C@H]1C=CC[C@H](C(=O)O)C1 1875272681 LFXUKFARHBAVIM-UWVGGRQHSA-N 263.297 0.498 0 50 CCAA O=C(O)[C@H](Cc1nccc(O)n1)NC[C@@H]1C[C@H]2C=C[C@H]1C2 1875332230 OIRVERKVEUDCCZ-BJDJZHNGSA-N 289.335 0.980 0 50 CCAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)[C@@H]2C1 1875306204 XERNPUHKNCAZSJ-QGKZMRNZSA-N 269.297 0.017 0 50 CCAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCn1cccn1 183183351 MYWIQVSEUCGPSB-VXGBXAGGSA-N 271.386 0.829 0 50 CCAA COCC1(CC(=O)N2CCOC[C@@H]2C(=O)O)CC1 401263713 YZTNCPJVTSSNOG-SECBINFHSA-N 257.286 0.115 0 50 CCAA C[C@]1(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CCCOC1 408164462 LXBDWRJGNGUQST-PWSUYJOCSA-N 290.385 0.083 0 50 CCAA O=C(CCn1cnnn1)Nc1ccc(Cl)nc1 524735721 UKZCIAISMFKFBO-UHFFFAOYSA-N 252.665 0.750 0 50 CCAA CN(C)S(=O)(=O)[C@H]1CCCN(CCC(C)(C)O)C1 367222304 BJHBHDMAVCCRSG-NSHDSACASA-N 278.418 0.503 0 50 CCAA CC(C)(O)[C@H]1CCN(S(=O)(=O)c2cn[nH]c2)C1 721803474 JERHCWVBMSPXAX-QMMMGPOBSA-N 259.331 0.191 0 50 CCAA CC1=C(C(N)=O)[C@H](c2cccc(F)c2)N2NC=NC2=N1 617983 ZRQCOYHXZBDEQV-NSHDSACASA-N 273.271 0.844 0 50 CCAA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc[nH]n1 2491836 KLTXHYVLQNCIBM-UHFFFAOYSA-N 299.290 0.820 0 50 CCAA Cc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O 2713944 XQQHAOPXNSWHLQ-UHFFFAOYSA-N 273.310 0.354 0 50 CCAA CO[C@@H]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)=O 341628040 OAQPAVMCOMEEJR-YNEHKIRRSA-N 268.357 0.929 0 50 CCAA O=[S@](C[C@@H](O)COc1ccccc1)c1ncn[nH]1 4947599 SKIPBNCUOWMZAC-YYSFKGJASA-N 267.310 0.352 0 50 CCAA COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(F)cc1F 225747142 ZOEUUXMTDLNXDV-JTQLQIEISA-N 298.245 0.078 0 50 CCAA OCc1cn(C[C@@H]2CCCN(c3ncccn3)C2)nn1 23128488 HACQKCWQEVOPPB-LLVKDONJSA-N 274.328 0.477 0 50 CCAA Cc1cc(C[C@@H](C)NCC(=O)Nc2cnccn2)[nH]n1 65385085 UVBVRWDMMNDPBW-SECBINFHSA-N 274.328 0.667 0 50 CCAA CSCC[C@@H](NC(=O)Cn1cccn1)C(=O)O 20258257 ZGAJXYOCPRBOFS-MRVPVSSYSA-N 257.315 0.206 0 50 CCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cc(C2CC2)n[nH]1 20138418 QXFNFKLBBBMHKS-QMMMGPOBSA-N 267.310 0.328 0 50 CCAA CC[C@H]1CN(c2cc(NCCO)ncn2)CC[C@@]1(C)O 67757194 RAPLFCFARRTCTI-SMDDNHRTSA-N 280.372 0.868 0 50 CCAA Oc1n[nH]c(CN2CCC(O[C@H]3CCOC3)CC2)n1 329329102 VDYPARHFHHLGDZ-JTQLQIEISA-N 268.317 0.280 0 50 CCAA C[C@]1(O)CCCN(c2ncnc3c2NC(=O)CS3)C1 375720319 QVCUGQBZTUSIBW-LBPRGKRZSA-N 280.353 0.872 0 50 CCAA O=C(NC[C@@H]1C[C@H](F)CN1)c1ccccc1-n1cnnn1 368386693 ZHWFPHQQMLFYHB-UWVGGRQHSA-N 290.302 0.092 0 50 CCAA CC[C@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(=O)O 262609463 BANUHGVMPRVMQQ-QMMMGPOBSA-N 277.280 0.460 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCC(=O)N[C@H]1C 282219349 UIVNBANBGSRBCI-GZMMTYOYSA-N 294.355 0.199 0 50 CCAA CCn1nncc1CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 333125261 AFTOPZWKRZWGIK-YRRQLQLVSA-N 286.335 0.995 0 50 CCAA CC(C)[C@H](O)CC(=O)NC[C@@H]1CN2CCCC[C@H]2CO1 240471688 GDWBCWUZHPTHCX-BFHYXJOUSA-N 284.400 0.763 0 50 CCAA O=C(NCc1cnc2c(c1)CCC2)[C@H]1NCCc2[nH]cnc21 72440451 ZKWRSXKFVCZDTG-HNNXBMFYSA-N 297.362 0.797 0 50 CCAA O=C(N1CCCC1)N1CCC(C(=O)O)(n2cccn2)CC1 72406933 PPTAVWMMRCQNRO-UHFFFAOYSA-N 292.339 0.975 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N[C@H]2CCN(C)C(=O)C2)C1 241795518 RZULOUDHRPOGSR-QWRGUYRKSA-N 289.401 0.174 0 50 CCAA CN1CC[C@H](C(=O)N2CCCOC(C)(C)C2)CC1=O 377707628 VUWXZXGTYDOIGP-NSHDSACASA-N 268.357 0.882 0 50 CCAA CNC(=O)CCCN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 521965234 UYYCUYNRACLUPR-WDEREUQCSA-N 282.344 0.666 0 50 CCAA C[C@H](NC(=O)Cn1cccnc1=O)c1nc2ccccc2[nH]1 42024780 PSXKXBQVCQBWDM-JTQLQIEISA-N 297.318 0.997 0 50 CCAA Cc1nccnc1-c1ccn(CC(=O)Nc2cnn(C)n2)n1 48267883 FRBNRFOCLTUYSE-UHFFFAOYSA-N 298.310 0.416 0 50 CCAA CCc1nccn1CCNC(=O)CN1CCC[C@@H](O)C1 223797478 LQFRFCQFHIXJTQ-GFCCVEGCSA-N 280.372 0.018 0 50 CCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cccc2c[nH]nc12 616768926 ROFZYQQCKZDSCI-OUCADQQQSA-N 297.318 0.864 0 50 CCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cccc2nccnc12 97713589 YGUXXXJAZDFZPE-VIFPVBQESA-N 289.316 0.670 0 50 CCAA C[C@@H](NC(=O)CCCN1CCCCC1)c1nnn[nH]1 95354767 LOKCYPYLDWTHHS-SNVBAGLBSA-N 266.349 0.643 0 50 CCAA COc1cccn(CC(=O)N(C)CCSC)c1=O 95502559 KOGFDWYFNUYKJG-UHFFFAOYSA-N 270.354 0.678 0 50 CCAA O[C@]12CCNC[C@H]1CN(c1ncccc1F)CC2 95374485 ABPOSXDTDHJDDG-GWCFXTLKSA-N 251.305 0.771 0 50 CCAA CSCc1noc(CN(C)[C@H](C)C(=O)N(C)C)n1 244796052 RRYCSHNRFCNYHB-MRVPVSSYSA-N 272.374 0.841 0 50 CCAA COc1ccc(Cl)cc1NC(=O)N[C@@H]1CNC[C@H]1O 534655218 KXYSFVZGBCOSBX-NXEZZACHSA-N 285.731 0.803 0 50 CCAA Cc1csc(S(=O)(=O)N[C@@H]2CCNC[C@H]2O)c1 534584899 DLKXSVABIYHYQF-RKDXNWHRSA-N 276.383 0.058 0 50 CCAA Cc1ncn(CCNS(=O)(=O)c2cn(C)c(C)n2)c1C 825262124 KBTASXAKCQQXFG-UHFFFAOYSA-N 297.384 0.520 0 50 CCAA Cc1cccn2c(CC(=O)N[C@@H](C)c3nc(N)n[nH]3)cnc12 584887814 RBTHUFBVEMPEFB-VIFPVBQESA-N 299.338 0.763 0 50 CCAA CCc1noc(CCNC(=O)Cc2cc(C)no2)n1 584894141 YMBCGRSQJQJHQG-UHFFFAOYSA-N 264.285 0.830 0 50 CCAA Cc1cnc(CN2C[C@H](O)[C@@H](OC(C)C)C2)cn1 670445944 XPLZLSSRKBPPFT-STQMWFEESA-N 251.330 0.755 0 50 CCAA Cc1nn(C)cc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 685940487 MGVHSVZCTMAROS-LLVKDONJSA-N 295.339 0.586 0 50 CCAA CN(C)[C@@H]1CCCCN(C(=O)c2ccnn2C)C1 952983597 WCBJLXTUGVYNMQ-LLVKDONJSA-N 250.346 0.976 0 50 CCAA C[C@@H]1CN(CC(=O)NC2CCCCCC2)C[C@H]1C(N)=O 408049404 ZDMLZRCNIHAFIG-DGCLKSJQSA-N 281.400 0.879 0 50 CCAA CC1CCC(OCC(=O)N[C@H]2CCN(C)C2=O)CC1 408314429 UJSFCAZQCGQTPD-MCIGGMRASA-N 268.357 0.929 0 50 CCAA O=C(NS(=O)(=O)C1CCC1)[C@@H]1C[C@]12CCOC2 408485059 NSVSIOMLJVVOEA-ONGXEEELSA-N 259.327 0.412 0 50 CCAA C[C@@H]1C(=O)Nc2cc(C(=O)NS(C)(=O)=O)ccc2N1C 408477709 BDRWIUPVBPMZSX-SSDOTTSWSA-N 297.336 0.153 0 50 CCAA O=S1(=O)CCN(CCN2CCc3ccccc3C2)CC1 170607356 ZSNCGRVFBHRUEW-UHFFFAOYSA-N 294.420 0.775 0 50 CCAA CCc1noc(COC2CN(C(=O)N[C@@H]3CCOC3)C2)n1 644442668 NOKKICFDWKSARR-SECBINFHSA-N 296.327 0.331 0 50 CCAA O=C(Cc1cccnc1)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1615734993 JXPBSYBOSHDLAR-ZFWWWQNUSA-N 298.346 0.476 0 50 CCAA OC[C@@H]1CCN(CCc2ccc(O)cc2)C[C@@H]1O 1615736564 IPUYZDAOEHHHIM-JSGCOSHPSA-N 251.326 0.610 0 50 CCAA CNc1ncccc1C(=O)N1CCOC[C@H](C(=O)O)C1 1800410782 AWGSHFVTNDQNOW-SECBINFHSA-N 279.296 0.297 0 50 CCAA Cc1nnccc1NC(=O)N1CC(=O)N(C)[C@@H](C)C1 407969178 WHNCQYURODDWIV-QMMMGPOBSA-N 263.301 0.479 0 50 CCAA CCN1CCO[C@H](C(=O)N2CCC[C@H](C)[C@@H]2CN)C1 156814489 VVCCSTXKOBZSOW-AVGNSLFASA-N 269.389 0.293 0 50 CCAA CCCN1CCC[C@@H]1C(=O)N1CC[C@H](CNC)C1 262568980 AXYTUHCTDNZWJR-CHWSQXEVSA-N 253.390 0.929 0 50 CCAA COc1ccc(S(=O)(=O)N2CCNCC2)cc1 34781241 RYCVCXVHXZLECQ-UHFFFAOYSA-N 256.327 0.289 0 50 CCAA in-vitro CCOC(=O)c1nc(NC(=O)[C@H](O)C2CCC2)c[nH]1 590754019 NFHJUQSDTHZQFI-SECBINFHSA-N 267.285 0.686 0 50 CCAA O=C(NCCN1CCCC1=O)c1[nH]nc2c1CCCC2 19144929 UZKVQKBFTLQRMD-UHFFFAOYSA-N 276.340 0.641 0 50 CCAA CSCCC(=O)N1CCO[C@H](CCN(C)C)C1 12717179 XLGXDCGNYLFCSB-LLVKDONJSA-N 260.403 0.919 0 50 CCAA COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F 16652315 KHMIZSUPVMOGCZ-UHFFFAOYSA-N 261.274 0.863 0 50 CCAA Cc1c(C(=O)N[C@H](C(N)=O)C(C)C)nc2ccccn12 1857701649 XNHLPYFRGSUSQX-NSHDSACASA-N 274.324 0.882 0 50 CCAA CN(C)C[C@H]1[C@H]2CN(c3nccc(=N)[nH]3)C[C@]23CC[C@H]1O3 1857739856 WDHKWTPNUAPTHY-FUTJPDQTSA-N 289.383 0.435 0 50 CCAA CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 4149174 KLLVJSXJXKQICM-GHMZBOCLSA-N 276.402 0.963 0 50 CCAA CCc1cc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)on1 1875246585 CBCCESCALOQGHT-KOLCDFICSA-N 293.323 0.166 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)c1 408519111 NEDPZBDSCWGHKY-MNOVXSKESA-N 286.401 0.964 0 50 CCAA COc1cncc(CN2CC[C@@H](CN3CCOCC3)C2)n1 625183969 NUBVQBPREUSQBU-ZDUSSCGKSA-N 292.383 0.639 0 50 CCAA COc1ccc(CN[C@H](C)C[C@H]2COCCN2)cn1 133470531 CGKHEMBCSPCMFO-YPMHNXCESA-N 265.357 0.947 0 50 CCAA O=C1CC[C@@H](NC(=O)C2CC2)[C@H](C2CCNCC2)N1 571432455 KYXJDFZNGJFUCJ-YPMHNXCESA-N 265.357 0.159 0 50 CCAA C=CC(=O)N(C)CC(=O)N(CC)C[C@H]1CCOC1 858769584 IZDGTLCYCVXELD-LLVKDONJSA-N 254.330 0.516 0 50 CCAA COC(=O)C1(C(=O)OC)CCN1Cc1ccccc1 1857781134 NTIBJYMYEBRMHZ-UHFFFAOYSA-N 263.293 0.977 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H](CO)c1sccc1C 860552706 SNZYSGDZBATGKO-JTQLQIEISA-N 282.365 0.851 0 50 CCAA Cc1cc(C(=O)N(C)CCN(C)CCO)ns1 863948405 OZNUKXWRXZVFBF-UHFFFAOYSA-N 257.359 0.448 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CCOC[C@@H]1CC(F)F 1875291768 LBARLSQPBIDJDK-XLPZGREQSA-N 263.240 0.590 0 50 CCAA O=C(CC(=O)N1C[C@@H]2C[C@@H](CO)C[C@@H]21)Nc1nccs1 1875295551 JNBIUXGZQKAXOD-UTLUCORTSA-N 295.364 0.701 0 50 CCAA CN(C)C(=O)C[C@@H]1CN(C/C=C/c2ccncc2)C[C@H]1O 1875398566 WJYXOJFXFAWOIC-LRPXVYOUSA-N 289.379 0.866 0 50 CCAA O=C1CC[C@@H](N2Cc3c(C(=O)O)cccc3C2=O)C(=O)N1 1772717636 SHMKKELLXFZKLY-SNVBAGLBSA-N 288.259 0.146 0 50 CCAA CC1([C@@H]2CN(S(=O)(=O)c3ccc(N)cc3)CCO2)N=N1 1775997473 KMHFNULGCKFWSV-NSHDSACASA-N 296.352 0.840 0 50 CCAA Cc1n[nH]cc1C(=O)N1CCC[C@@H](N2CCOCC2)C1 19743727 XBXDHWCGJBWEQE-GFCCVEGCSA-N 278.356 0.655 0 50 CCAA O=C(NCc1nc(O)cc(O)n1)C1SCCS1 898758791 ZEUVBJZWWNAMPH-UHFFFAOYSA-N 273.339 0.310 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(F)cc1F 262011588 VPGPGTNNODRSKU-PELKAZGASA-N 270.279 0.958 0 50 CCAA O=C1CC[C@H](Nc2ncc3ccccc3n2)C(=O)N1 165721320 WKIBKVUCDPWYDM-JTQLQIEISA-N 256.265 0.847 0 50 CCAA CS(=O)(=O)N1CCCN(C[C@H](O)c2ccccc2)CC1 43619209 HIJNFFJMWMCYPV-AWEZNQCLSA-N 298.408 0.687 0 50 CCAA C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(S(C)(=O)=O)cc1 639848970 KQLASQZGFKBQAS-OCCSQVGLSA-N 299.392 0.408 0 50 CCAA CC(C)(C)n1nnc(Cn2cc(S(C)(=O)=O)cn2)n1 901603567 QCUMZQDIWIVKNB-UHFFFAOYSA-N 284.345 0.076 0 50 CCAA N[C@@H]1CCN(C(=O)CCc2cc[nH]n2)CCC1(F)F 2325778799 PULHXGAYVVVTFY-SNVBAGLBSA-N 272.299 0.927 0 50 CCAA CN1C(=O)CN(Cc2ccnc3[nH]ccc23)[C@H]2C[C@H]21 2325784365 XNEDFQOSCPZWFJ-NEPJUHHUSA-N 256.309 0.978 0 50 CCAA CN1C(=O)CN(C(=O)N=c2nc(C3CC3)[nH]s2)[C@H]2C[C@H]21 2325786385 HKKUBPQUIYZDBL-SFYZADRCSA-N 293.352 0.284 0 50 CCAA COCC[C@@]1(NC(=O)N(C)C2CCNCC2)CCNC1 2325800662 ANMLEBOOMVNHFS-AWEZNQCLSA-N 284.404 0.148 0 50 CCAA CNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 390131 SQMGDACBHLTCGR-UHFFFAOYSA-N 299.334 0.822 0 50 CCAA COc1ccc(NC(=O)C[S@@](=O)CC(=O)O)cc1 406424 PCRAZKINHYKMDI-SFHVURJKSA-N 271.294 0.467 0 50 CCAA O=S(=O)(O)CCCSCCCS(=O)(=O)O 2165045 REJSMTWFWDLMQN-UHFFFAOYSA-N 278.373 0.275 0 50 CCAA C[C@H](O)CNC(=O)C(=O)Nc1ccccc1Cl 2994182 SSDMJSTULWRWJI-ZETCQYMHSA-N 256.689 0.776 0 50 CCAA O[C@H]1CCN(c2nccn3c(-c4cc[nH]n4)cnc23)C1 2356164162 HPRARLVEKGMNFG-VIFPVBQESA-N 270.296 0.690 0 50 CCAA Cc1nnc(NC(=O)CSc2nc(=O)c(C)n[nH]2)s1 2860133 JGTFSYSEJULBIZ-UHFFFAOYSA-N 298.353 0.364 0 50 CCAA O=C(O)c1cc(C(=O)O)c2cccc(S(=O)(=O)O)c2n1 4798848 DDNMJOPNGRPATA-UHFFFAOYSA-N 297.244 0.878 0 50 CCAA CN1CCN(C2CCOCC2)C[C@@]12CCNC(=O)CC2 107653483 DITYAGXWQFRSPL-OAHLLOKOSA-N 281.400 0.452 0 50 CCAA Cc1ccccc1OC[C@H](O)CN1CCN(C)CC1 20512783 FBNCFNRRYCFQEK-CQSZACIVSA-N 264.369 0.982 0 50 CCAA CCC[C@@H]1COCCN1C(=O)CSc1n[nH]c(N)n1 67692757 XBTVZOGXIOWGIO-MRVPVSSYSA-N 285.373 0.507 0 50 CCAA Cc1noc(C)c1-n1c(CCn2cccn2)n[nH]c1=O 65453451 JFSBPGUNXIAJRA-UHFFFAOYSA-N 274.284 0.605 0 50 CCAA CCOC(=O)CN1CCCN(C(=O)C2CCC2)CC1 67560737 AWSXHCIICDQPCT-UHFFFAOYSA-N 268.357 0.884 0 50 CCAA CN(C)CCn1ccc(NC(=O)COC[C@H]2CCOC2)n1 117636717 PYZXCESGRVYZSR-LBPRGKRZSA-N 296.371 0.436 0 50 CCAA COCC(=O)N1CCC[C@H](c2nc(CN(C)C)no2)C1 67786375 WMORERVZYZWQCI-JTQLQIEISA-N 282.344 0.484 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1(c2ccccc2)CC1 67855117 OOWGZLIKYDWYGT-STQMWFEESA-N 287.363 0.392 0 50 CCAA CC1=C(C(=O)NCc2n[nH]c3c2CCC3)[C@H](C)NC(=O)N1 67541078 DUOJIFNAHMWFAZ-ZETCQYMHSA-N 289.339 0.490 0 50 CCAA COc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1 91137 XTCIPBHRVYICGT-SSDOTTSWSA-N 259.283 0.447 0 50 CCAA in-vivo CN(C[C@@H](O)CN1C(=O)CC2(CCCC2)C1=O)C1CC1 329742823 WUYWTSAKWASCOD-GFCCVEGCSA-N 280.368 0.761 0 50 CCAA CCCCCOCC(=O)N1CCC[C@H]1CS(N)(=O)=O 358040360 IMGTUYSTQMXDCM-NSHDSACASA-N 292.401 0.473 0 50 CCAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cn[nH]c1 409413187 FJLHHOPTGHKZPY-NSHDSACASA-N 299.290 0.489 0 50 CCAA O=C(Cc1ccc(CO)cc1)NC[C@@]1(O)CCCNCC1 72142080 GMLRRPGJPHKJSS-MRXNPFEDSA-N 292.379 0.342 0 50 CCAA N[C@H]1C[C@@H](C(=O)O)N(C(=O)c2ccc3c(c2)CCC3)C1 77470390 BWTJKLQWDKEQMM-STQMWFEESA-N 274.320 0.802 0 50 CCAA C[C@@H]1CCCC[C@@H]1C(=O)Nc1[nH]nnc1C(N)=O 333405370 ORXVSIKCWXKBOJ-RQJHMYQMSA-N 251.290 0.668 0 50 CCAA CCC[C@H]1SCCN1C(=O)C1=NN(CCO)C(=O)CC1 372458494 QUINMMLMCPUZNU-GFCCVEGCSA-N 299.396 0.659 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1ccnn1C1CCCC1 262833194 YCGRSNYUFTXGND-GFCCVEGCSA-N 293.323 0.924 0 50 CCAA CC(C)Cc1cc(CNC(=O)CN2CCOCC2)on1 223073216 MHZRYJAZTDJDMY-UHFFFAOYSA-N 281.356 0.822 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCS(=O)(=O)CC2)n(C)n1 82138754 VSDUISWTIOLVFI-UHFFFAOYSA-N 299.396 0.489 0 50 CCAA Cc1cccnc1C[C@H](C)NC(=O)Cn1ccnn1 426398262 XWYUNKUUVWFIAC-NSHDSACASA-N 259.313 0.729 0 50 CCAA c1nc(NCc2nnc3n2CCC3)cc([C@@H]2CCOC2)n1 426500117 MVSREKDNOIRLAT-SNVBAGLBSA-N 286.339 1.130 0 50 CCAA C[C@H]1C[C@@H](CO)CCN1C(=O)Cn1ccccc1=O 291991768 WRRAVVUEBFKTOR-RYUDHWBXSA-N 264.325 0.468 0 50 CCAA O=C(CN1C(=O)CCc2ccccc21)N1C[C@@H]2CNC[C@@H]2C1 95525749 LNKLCPDSCYWOJH-OKILXGFUSA-N 299.374 0.644 0 50 CCAA CN(Cc1ncon1)C(=O)C(C)(C)N1CCCC1 426669040 NKDWFIFIZIUOCO-UHFFFAOYSA-N 252.318 0.902 0 50 CCAA NC(=O)[C@H]1CN(Cc2cccc3[nH]ccc23)CCO1 92735848 MIFMLBSTRVFDKJ-CYBMUJFWSA-N 259.309 0.854 0 50 CCAA Cc1ccnc(NCCSc2nnnn2C)n1 95353652 OVBOJCMNHAEAQS-UHFFFAOYSA-N 251.319 0.513 0 50 CCAA O=C(CO)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 181464692 ILLHSSJFTAYGDJ-SSDOTTSWSA-N 270.235 0.179 0 50 CCAA Cc1noc(C)c1[C@@H](C)C(=O)N1CCOC[C@@H]1C(=O)O 299752988 WIYUDGWEZFXJFP-GMSGAONNSA-N 282.296 0.707 0 50 CCAA O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O)NCCc1ccccc1 534587177 RGVFDPNTGKCRFS-NHAGDIPZSA-N 288.347 0.608 0 50 CCAA C[C@H](CN1CCCCC1)C(=O)NCCn1ccnn1 534655981 OOKJFZWOUJRDCK-GFCCVEGCSA-N 265.361 0.516 0 50 CCAA CSCC[C@@H](C(=O)Nc1nn[nH]n1)n1cccc1 575443485 XTDXDDJMHNXEGU-QMMMGPOBSA-N 266.330 0.934 0 50 CCAA CCOC(CN(C)CC(=O)N1CCN(C)CC1)OCC 585136693 PSRDCTYCGGBOAP-UHFFFAOYSA-N 287.404 0.091 0 50 CCAA CN(C)C(=O)CNC(=O)CCC(=O)Nc1cccc(F)c1 828018539 LOLMJYYYFIPTTA-UHFFFAOYSA-N 295.314 0.749 0 50 CCAA CCN1C[C@H](NC(=O)C(C)(C)n2cccc2)CC1=O 584885302 DPENEUARAJCLEZ-LLVKDONJSA-N 263.341 0.960 0 50 CCAA CN(C)CCCC(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076136275 QXAXXWXUTWKKIY-OLZOCXBDSA-N 293.371 0.292 0 50 CCAA FC(F)(F)Cn1ncnc1CCCn1cnnn1 670437000 UFUOABPXRBLBLJ-UHFFFAOYSA-N 261.211 0.460 0 50 CCAA CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccccc1=O 670447786 HQNKLUMQBRMWMS-OLZOCXBDSA-N 275.352 0.543 0 50 CCAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)S(C)(=O)=O 670449858 RSZSANZYSRXUJI-VIFPVBQESA-N 262.375 0.525 0 50 CCAA CN(Cc1ncc(Cl)n1C)c1ncnc(N)n1 1337833291 TWDPEYZLAGKXKC-UHFFFAOYSA-N 253.697 0.477 0 50 CCAA COC[C@H](NC(=O)c1nccn1C)c1ccnn1C 952982239 KAPNRHMNOLXUSY-VIFPVBQESA-N 263.301 0.271 0 50 CCAA Cc1cc(C)n(CCC(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)n1 1565528767 GPUDFPLUAMZIEU-STQMWFEESA-N 290.367 0.826 0 50 CCAA CC(C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 408085880 DMWAELLWUJCDAD-SKDRFNHKSA-N 254.330 0.321 0 50 CCAA C[C@H]1c2cccn2CCN1C(=O)c1nc(O)nc(O)c1N 408235157 JGFKEOZLRZVGAT-ZETCQYMHSA-N 289.295 0.489 0 50 CCAA CCN1CCN([C@H]2CCN(C(=O)[C@@H](N)C(C)C)C2)CC1 170070459 GNEHEJZDVCWJKK-KBPBESRZSA-N 282.432 0.208 0 50 CCAA NC(=O)[C@@H]1CN(Cc2ncc(C(F)(F)F)s2)CCO1 279373170 JEUFXNIAKRVYSQ-LURJTMIESA-N 295.286 0.848 0 50 CCAA CCC[C@H](C)OC(=O)c1c[nH]nc1S(N)(=O)=O 585138208 VRDPBIZRYFVGNA-LURJTMIESA-N 261.303 0.403 0 50 CCAA CSC[C@H](C)C(=O)N1CCN(c2n[nH]c(C)n2)CC1 585130178 JXTXCTBXCPBYPT-VIFPVBQESA-N 283.401 0.761 0 50 CCAA OC[C@@]12CNC[C@@H]1CN(c1ncc(Cl)cn1)C2 1165282203 TXDLPHVATQSELF-KCJUWKMLSA-N 254.721 0.148 0 50 CCAA Cc1cccc(CCN(C)[C@H]2CS(=O)(=O)C[C@@H]2O)n1 1616097251 VXTJVROJGDWPPY-STQMWFEESA-N 284.381 0.022 0 50 CCAA COc1cc(OC)nc(N[C@@H]2COCC[C@H]2O)n1 219548531 PFTHJULDIVXLDC-HTQZYQBOSA-N 255.274 0.056 0 50 CCAA O=C1C(=O)N(CC(=O)N2CCOCC2)c2ccccc21 1892740 RVDBXADQQVTIMT-UHFFFAOYSA-N 274.276 0.075 0 50 CCAA OC[C@H]1CCN(Cc2nc(C(F)(F)F)no2)C[C@H]1O 1875250250 JAEFUPQWXWASMO-RNFRBKRXSA-N 281.234 0.264 0 50 CCAA Nc1nc(C(=O)N(CCO)Cc2ncc[nH]2)cs1 1704330277 HUQZTJAJVSHTDV-UHFFFAOYSA-N 267.314 0.083 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)CCn1cc(Cl)cn1 648451084 CFNULAHINPCRHE-VIFPVBQESA-N 287.703 0.239 0 50 CCAA Cc1nc2ccncc2cc1C(=O)N1CCNC(=O)C1 19633775 DNHPERPQEFBKCE-UHFFFAOYSA-N 270.292 0.510 0 50 CCAA CCn1ncc(CNC(=O)[C@@H]2C[C@H]3C[C@@H](N)[C@H]3C2)n1 1857532477 IVOHWYMNZFLZNC-BSJXLVFVSA-N 263.345 0.288 0 50 CCAA CN1CCOC2(CCN(CC[C@H]3COCCO3)CC2)C1 1857696386 YFARMMDONLZJHI-AWEZNQCLSA-N 284.400 0.589 0 50 CCAA Cc1nc(C2CCN(C(=O)[C@H]3C[C@H](N)[C@@H](O)C3)CC2)no1 1857714145 TZZBDSXSRKDVSD-SRVKXCTJSA-N 294.355 0.182 0 50 CCAA CN1CCN(CCNC(=O)c2ncccc2F)CC1(C)C 614450248 KXSJFVNCJPHOFQ-UHFFFAOYSA-N 294.374 0.977 0 50 CCAA O=C(c1ccc2c(=O)[nH]cnc2c1)N1CCOCC1 35287506 LYICZOWTRHRHKZ-UHFFFAOYSA-N 259.265 0.396 0 50 CCAA in-vitro CN(C1CC1)S(=O)(=O)NCc1ccc(CCO)cc1 908273869 VFQIJLDRLSEFJA-UHFFFAOYSA-N 284.381 0.650 0 50 CCAA O=C(CN1CCCCC(=O)C1=O)NOCc1ccccn1 909518542 AJCBAIRUOJFGHI-UHFFFAOYSA-N 291.307 0.211 0 50 CCAA Cn1ncc(CNC(=O)C23CCC(C(=O)O)(CC2)C3)n1 911405362 XEXPXRDGQZGGHD-UHFFFAOYSA-N 278.312 0.466 0 50 CCAA Cc1c(CC(=O)Nc2cnn[nH]2)nnn1-c1ccccc1 816317966 GTJJYNPUOWQVQG-UHFFFAOYSA-N 283.295 0.875 0 50 CCAA C[C@@H]1CC[C@H](CO)N1C(=O)[C@@H]1CCc2cncn2C1 922010065 CFXBBVYLUAFGCP-NQBHXWOUSA-N 263.341 0.817 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1COC2(CCOCC2)[C@H]1O 1857783572 YXBNACQEJUJGSN-ZJUUUORDSA-N 273.329 0.820 0 50 CCAA COc1cccc(-c2cn(CCc3cn(C)nn3)nn2)n1 952884267 UFCZKTXHRVXZBD-UHFFFAOYSA-N 285.311 0.720 0 50 CCAA Cc1nn(-c2cccc(F)c2)cc1CN[C@H](CN)CO 1875324241 NTSZZJBTLVCNQY-CYBMUJFWSA-N 278.331 0.729 0 50 CCAA C=CC(=O)N1CC(C(=O)NCc2nnc3ccc(C)cn23)C1 1875387344 CSYRZSAJFCYHQZ-UHFFFAOYSA-N 299.334 0.298 0 50 CCAA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)Cc2cnn(C)n2)C1 886077860 KDPMNGFONIUCOV-ZNMIVQPWSA-N 293.415 0.889 0 50 CCAA O=C(N[C@H](Cc1ccc(O)c(F)c1)C(=O)O)[C@@H]1CCCO1 1775999505 URILXRRSERKWQZ-PWSUYJOCSA-N 297.282 0.822 0 50 CCAA CC(C)(C)N1CC[C@@H](CNC(=O)c2cnn[nH]2)C1 534634213 MFXBWHLDWMOGJK-VIFPVBQESA-N 251.334 0.655 0 50 CCAA Nc1ncnc(N2CCN3CCOC[C@H]3C2)c1Cl 375941679 MJGXMSNHMRHBIJ-MRVPVSSYSA-N 269.736 0.233 0 50 CCAA O=C(NCc1ccc(O)nc1)[C@@H]1CC(F)(F)CN1 369461348 BEORBHZQVFNBFK-QMMMGPOBSA-N 257.240 0.401 0 50 CCAA O=S(=O)(NC[C@H]1CC[C@H](CO)CC1)N1CCCC1 828784771 KXKRNZNYIOUCNG-HAQNSBGRSA-N 276.402 0.715 0 50 CCAA CNC(=O)[C@H](C)NC(=O)c1c(C)nc2ccccn12 2325784943 VRENYZGEFIVCHM-VIFPVBQESA-N 260.297 0.507 0 50 CCAA Cc1cc(COCC(=O)N2C[C@@H]3COCC[C@]3(N)C2)on1 2325809202 ORGMQUPTOBKIIG-RISCZKNCSA-N 295.339 0.076 0 50 CCAA C[C@@H]1CC[C@@H]2CN=C(NC[C@@H]3NC(=O)CC3(C)C)N2C1 2325864583 STHPPQHCDLEVDA-UTUOFQBUSA-N 278.400 0.961 0 50 CCAA O=C(O)c1ccccc1C(=O)OCCN1CCOCC1 272817 ORADOZVQQUAMBR-UHFFFAOYSA-N 279.292 0.874 0 50 CCAA CC(=O)c1ccccc1OC[C@@H](O)CNS(=O)(=O)O 3190345 ATIJBOVNYQIOME-VIFPVBQESA-N 289.309 0.021 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)CN1CCCCC1=O 344798715 AQEIMSZELUKQAW-NWDGAFQWSA-N 284.356 0.261 0 50 CCAA C[C@H](NC[C@@H](O)Cn1cccn1)[C@@H](C)n1cccn1 229567950 MGBBMEWKIUOFDB-YNEHKIRRSA-N 263.345 0.680 0 50 CCAA C[C@]1(CO)CCC[C@@H]1NC1CCS(=O)(=O)CC1 329642104 YDLHERJGVFVVEI-NWDGAFQWSA-N 261.387 0.704 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2nncn2C)[C@H]1OC 252512472 QZNCYCWQIHBLOG-UKKRHICBSA-N 297.359 0.368 0 50 CCAA COc1ccc(-n2cnnc2CN(C)S(C)(=O)=O)cc1 67956198 YCKKQAZYMYEEMZ-UHFFFAOYSA-N 296.352 0.667 0 50 CCAA CN(C)C(=O)N1CCC(C(=O)NCCc2cnc[nH]2)CC1 78742748 AUFDHAWKPJKIFW-UHFFFAOYSA-N 293.371 0.462 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)c1ccnc(C(=O)O)c1 124617111 YWIINIJZHDQLOS-LLVKDONJSA-N 291.307 0.521 0 50 CCAA CCN(CC)C(=O)CN1C[C@H](O)C[C@@H]1c1nc(C)no1 328635405 URGIALRRXIGOEB-GHMZBOCLSA-N 282.344 0.354 0 50 CCAA Cc1nc(CCNC(=O)C[C@@H]2COCCN2)sc1C 72135274 XFVASJIGDCALBE-LLVKDONJSA-N 283.397 0.797 0 50 CCAA CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(O)CC1)CC2 359223173 HPWJKIXNHRHRBY-JTQLQIEISA-N 293.371 0.322 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)Cn1ccnc1 219626247 FWUUZYBNAIDNBD-JTQLQIEISA-N 262.317 0.762 0 50 CCAA O=C1CC[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C(=O)N1 332777577 PTGJHDRXDQVVHZ-NEPJUHHUSA-N 293.367 0.315 0 50 CCAA Ic1cncc(N2CCOCC2)n1 71257071 DZYOHCOMRAQLBO-UHFFFAOYSA-N 291.092 0.918 0 50 CCAA Cc1ccccc1OCCCNC(=O)[C@@H]1COCCN1 237557994 LHCZQQBBDHFMHX-ZDUSSCGKSA-N 278.352 0.869 0 50 CCAA C[C@@H](C[S@](C)=O)NC(=O)N1CCN(CC(F)F)CC1 334036966 MHKPYUSDDWBEMC-UGZDLDLSSA-N 297.371 0.346 0 50 CCAA CNC(=O)Cn1cc(NC(=O)c2cc(Cl)cn2C)cn1 48737080 NPZSVKRZZHYPIO-UHFFFAOYSA-N 295.730 0.873 0 50 CCAA CC(=O)NC(C)(C)C(=O)N[C@H](c1nccn1C)C1CC1 426361245 UMTSOGQXDJWFRX-NSHDSACASA-N 278.356 0.902 0 50 CCAA CCCCn1nc(CC(N)=O)nc1Cn1cnc(C)c1C 96151771 AYQORBFDBROLPP-UHFFFAOYSA-N 290.371 0.968 0 50 CCAA CSCc1noc(CN2CC[C@@](C)(O)[C@@H](O)C2)n1 96163543 SLKFCEAQDYTLQF-GZMMTYOYSA-N 273.358 0.250 0 50 CCAA Cc1cccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)c1 95496399 JCXLGPXUXUJQLW-CYBMUJFWSA-N 274.320 0.959 0 50 CCAA CCN1CC[C@H]2OCCN(C(=O)c3ccc(O)nc3)[C@H]2C1 293765905 AIGMLZQAIBZHDM-QWHCGFSZSA-N 291.351 0.722 0 50 CCAA Nc1cc(N2CCN(Cc3ccccc3)C[C@@H](O)C2)ncn1 95530204 NAJUSJMTIFHUMZ-CQSZACIVSA-N 299.378 0.742 0 50 CCAA Cc1cscc1-c1nc2c(c(=O)[nH]c(=O)n2C)n1C 96132224 UCVHVVWKSUEOCM-UHFFFAOYSA-N 276.321 0.997 0 50 CCAA CCc1cnc(N)nc1N1CCN(C[C@H]2CCCO2)CC1 95390692 YDQFAFNNMKXZJS-CYBMUJFWSA-N 291.399 0.922 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCCCn1ccccc1=O 299750078 MPJMJMMKKXHVFA-GHMZBOCLSA-N 278.308 0.465 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)c1ncoc1C(C)C 534585916 GGUPHSORSJCOHA-UWVGGRQHSA-N 267.329 0.857 0 50 CCAA COCC1(NC(=O)[C@@H]2CCCN(C(N)=O)C2)CCCC1 617194014 GUDDTKKWLVEXHB-LLVKDONJSA-N 283.372 0.853 0 50 CCAA O=C(N[C@H]1CNCC[C@H]1O)c1ccc(SCCO)cc1 534661954 FTZZPUYYGJCWFA-QWHCGFSZSA-N 296.392 0.224 0 50 CCAA C[C@@H](CCNC(=O)CCc1cn[nH]c1)N1CCN(C)CC1 534592222 LXKNNBXDHDYKRC-ZDUSSCGKSA-N 293.415 0.485 0 50 CCAA Cc1cccnc1CN1CCN(C(=O)[C@@H]2C=CCN2)CC1 299799763 ZXPBFVRBGPXKBE-AWEZNQCLSA-N 286.379 0.562 0 50 CCAA CC[C@@H](NS(=O)(=O)CC(=O)c1ccccc1)C(=O)O 725375893 PJIUJGKIIZTVOV-SNVBAGLBSA-N 285.321 0.652 0 50 CCAA C[C@@](O)(CCCO)CNC(=O)c1cc(O)ccc1F 584884871 DETNOGIXBFEXJE-CYBMUJFWSA-N 271.288 0.785 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)c2ccc(Cl)cn2)[C@@H](O)C1 991649259 VLMSFILXCGORPO-JQWIXIFHSA-N 297.742 0.447 0 50 CCAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)[C@@H]1C=CCN1 952974070 ITLCELPUCRDHTP-JTQLQIEISA-N 272.268 0.459 0 50 CCAA O=C(O)[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1C1CC1 1565530182 ZBUWZPVNXCGLIJ-NEPJUHHUSA-N 296.348 0.813 0 50 CCAA CN1CCC([C@H]2OCC[C@@H]2C(=O)N(C)CCO)CC1 408473445 GRLYPNMVIHFRFK-QWHCGFSZSA-N 270.373 0.184 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)N(C)Cc1nnc[nH]1 277022326 BOQKSCGAOUVPMU-NXEZZACHSA-N 252.318 0.968 0 50 CCAA C[C@@H](N)[C@@H]1CN(C(=O)c2ncc3n2CCCC3)CCO1 634288471 NOBDABMVRWYYHB-PWSUYJOCSA-N 278.356 0.408 0 50 CCAA CC(=O)N1CC(C(=O)N2CC[C@@]3(CCOC3)C2)C1 188568103 BJIZJDQHHDIHBA-CYBMUJFWSA-N 252.314 0.104 0 50 CCAA COc1cc(OC)nc(N[C@H]2COCC[C@@H]2O)n1 710984577 PFTHJULDIVXLDC-YUMQZZPRSA-N 255.274 0.056 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cscn2)CC1=O 195531147 SSDRILULUGJVLK-KHQFGBGNSA-N 265.338 0.882 0 50 CCAA CC(C)[C@@]1(O)CN(CCCn2cnnn2)C[C@@H]1C 1073362432 SZMAWGQSGXBPSD-RYUDHWBXSA-N 253.350 0.402 0 50 CCAA C=CC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C 888098435 FUMYDJFYMMCHTD-MFKMUULPSA-N 262.313 0.303 0 50 CCAA COCCC1(S(=O)(=O)N2C[C@@H](N)C3(CCC3)C2)CC1 1615058655 PCXMLISQWXMWBV-LLVKDONJSA-N 288.413 0.699 0 50 CCAA O=C(CN1CCC[C@]12CCS(=O)(=O)C2)N1CCCC1 1875299182 BWMWBAFXDAJPBA-CYBMUJFWSA-N 286.397 0.262 0 50 CCAA CNC(=O)[C@@H]1CCN(C2CSCCSC2)C1 1506423807 XJIHQDAJFPMQPN-SECBINFHSA-N 260.428 0.903 0 50 CCAA CCc1[nH]nc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1C 1857737162 ZMVJUKQFAIPHPP-KOLCDFICSA-N 267.329 0.096 0 50 CCAA COc1cc(Cl)ccc1C(=O)N[C@H]1CCNC[C@@H]1O 219739746 ZYTTUJOPBWDXOC-QWRGUYRKSA-N 284.743 0.801 0 50 CCAA COCCO[C@H]1CCCN(C(=O)c2csnn2)C1 330395276 MSTRLSDFKFYFFL-VIFPVBQESA-N 271.342 0.806 0 50 CCAA Cc1nccn1CCCC(=O)N1CCNC[C@@H]1C 126244760 APNVSDAOIWXXET-NSHDSACASA-N 250.346 0.792 0 50 CCAA CC(=O)c1ccnc(N2C[C@H]3CNC[C@@]3(CO)C2)c1 1772708512 HUFSJGYPWWHWJP-OCCSQVGLSA-N 261.325 0.302 0 50 CCAA N[C@H]1CC[C@H](C(=O)N2CCC(c3ncc[nH]3)CC2)C[C@@H]1O 1857727524 VNCIFAWYMHSNLK-AVGNSLFASA-N 292.383 0.604 0 50 CCAA CNC(=O)[C@@H](O)CNC(=O)c1csc2c1CC[C@H](C)C2 253433181 SWXPAYBPNISJDE-KWQFWETISA-N 296.392 0.710 0 50 CCAA Cc1nc(O)c2c(n1)CN(Cc1nnnn1C1CC1)C2 931321055 VYVWRQCMCFJOOZ-UHFFFAOYSA-N 273.300 0.328 0 50 CCAA Cc1c(O)nc2ccccc2c1C(=O)N[C@H]1CNC(=O)C1 935268912 LPFQWNUBNTXECA-SECBINFHSA-N 285.303 0.867 0 50 CCAA Cn1cc(CC(=O)N2CC[C@@H](CN3CCOC3=O)C2)cn1 857515406 MASKIFQJGKDISH-LLVKDONJSA-N 292.339 0.263 0 50 CCAA CCn1nncc1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952849637 YVYNLDKWOLJSSM-CMPLNLGQSA-N 290.327 0.751 0 50 CCAA O=C(O)c1cc(CN=c2[nH]cnc3cc(C4CC4)nn23)[nH]n1 1875333112 BELCDOJKNOPMSG-UHFFFAOYSA-N 299.294 0.457 0 50 CCAA O[C@H]1c2ccccc2C[C@@H]1N1C[C@@H](O)[C@H](n2ccnn2)C1 1775957946 UJXJXXDVEWDWDD-YJNKXOJESA-N 286.335 0.154 0 50 CCAA NC(=O)CCc1ccc(N=c2ncnc3[nH][nH]cc2-3)cc1 1318279800 ALIOIIRLSUYCHE-UHFFFAOYSA-N 282.307 0.888 0 50 CCAA CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CCCN1)C2 261671994 JEOBRUAMOVFPHB-JTQLQIEISA-N 263.345 0.496 0 50 CCAA COc1cc(C)[nH]c(=NCc2cccc(C(N)=O)c2)n1 344431305 FQNQJBLVQQJXSI-UHFFFAOYSA-N 272.308 0.927 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](O)C2)o1 334690171 QUEFAANPYRTJGS-WPRPVWTQSA-N 259.327 0.979 0 50 CCAA CCc1cnc(CNS(=O)(=O)N(CC)CC)[nH]1 719114706 AMKVAGIHYJREOS-UHFFFAOYSA-N 260.363 0.648 0 50 CCAA O=C(CSc1nnc2[nH]cnn12)Nc1ccccn1 51149 HPJWARKCTDTQEW-UHFFFAOYSA-N 275.297 0.578 0 50 CCAA C[C@H](NC(=O)c1csc(CN)n1)C1(O)CCC1 2325788031 IPLYOTNUZPBDMA-ZETCQYMHSA-N 255.343 0.635 0 50 CCAA C[C@H](NC1=NC[C@]2(CO)COCCN12)c1ccns1 2325864242 JRTCJFWFEXWAIY-CABZTGNLSA-N 282.369 0.227 0 50 CCAA Cc1ccc(CC(=O)N[C@H]2CCC(=O)NC2=O)c(C)c1 1857797865 BKFCGCJXDFBJFH-LBPRGKRZSA-N 274.320 0.767 0 50 CCAA COc1ccc([C@@H]2NN=C(S)NN2)cc1OC 351235 IRFZFFXLVMBMTR-UHFFFAOYSA-N 254.315 0.601 0 50 CCAA C[C@@H](C(=O)Nn1cnnc1)N1C(=O)c2ccccc2C1=O 4151857 DPHWRSZGLGDEGA-QMMMGPOBSA-N 285.263 0.033 0 50 CCAA CC[C@@H](C)NC(=O)CN1CCCC[C@H]1C(=O)OC 248137593 AMXTWFMKEOLBGY-MNOVXSKESA-N 256.346 0.929 0 50 CCAA Cn1ccnc1CN(CCO)C(=O)c1cnc2ccccn12 67886093 ZBMCUZWDOUVMIT-UHFFFAOYSA-N 299.334 0.703 0 50 CCAA COc1cc(N2CCC(=O)NC[C@@H]2C)nc(OC)n1 32577647 RMVQELXOAYAFQW-QMMMGPOBSA-N 266.301 0.209 0 50 CCAA CCN(CCn1cccn1)C(=O)CNC(=O)N(C)C 215999238 HTWMWMWUKXQKHL-UHFFFAOYSA-N 267.333 0.003 0 50 CCAA C[C@H](NC(=O)C1CCCC1)C(=O)N(C)C1CCNCC1 428296409 PHTBSPDWFFZVST-NSHDSACASA-N 281.400 0.892 0 50 CCAA C[C@@]12CCCN1C(=O)N([C@@H]1CC(=O)N(C3CC3)C1)C2=O 253432034 INFXHCKRIQSWCV-YGRLFVJLSA-N 277.324 0.566 0 50 CCAA O=c1c2ccsc2ncn1C[C@H]1COCCO1 32565478 QYYFRWAVAFBQCL-QMMMGPOBSA-N 252.295 0.873 0 50 CCAA CCOc1ncccc1CN1C(=O)[C@H]2COCCN2C1=O 359997455 JQVOEBVMJWTLBE-LLVKDONJSA-N 291.307 0.643 0 50 CCAA Cc1nc(CN(C)[C@@H]2CCN([C@H]3C[C@@H](C)OC3=O)C2)no1 257366385 VOWVEGHVLYNRFC-JLLWLGSASA-N 294.355 0.588 0 50 CCAA CC[C@H]1CN(C(=O)CN)CCC(=O)N1Cc1ccccc1 71751334 PTCXGFHUHLFUIB-AWEZNQCLSA-N 289.379 0.985 0 50 CCAA N=C(O)N[C@H](CO)C(=O)N1CCC(CC(F)(F)F)CC1 330621168 BCKNDHATNGKRAU-MRVPVSSYSA-N 297.277 0.621 0 50 CCAA N[C@H](C(=O)NCC1(CCO)CCCC1)C1CCOCC1 261986119 MNIHZYDIOUJAFH-ZDUSSCGKSA-N 284.400 0.799 0 50 CCAA Cc1nnc(CNC(=O)Cn2nc3ccccc3n2)o1 215525719 WOGMGQWBOHNYHG-UHFFFAOYSA-N 272.268 0.439 0 50 CCAA CCn1c(C)nnc1CN1C[C@H](OC)C[C@H]1COC 332686912 JHOFMJBFHMFAAN-NWDGAFQWSA-N 268.361 0.842 0 50 CCAA C[C@H](CN1C(=O)NC2(CCNCC2)C1=O)Cn1cccn1 77504804 URVMYBVUYHDIPC-NSHDSACASA-N 291.355 0.193 0 50 CCAA CCNS(=O)(=O)N1CC[C@@H](C2CCN(C)CC2)C1 378272333 XVGDLRBHVHWABH-GFCCVEGCSA-N 275.418 0.504 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)c1cccc(C(N)=O)c1 237161295 HEGYCXMMNURJDF-NSHDSACASA-N 297.380 0.158 0 50 CCAA COC[C@H]1CN(c2nccn(C)c2=O)CC(C)(C)O1 285185598 VRDJHOJSXIJQRW-SNVBAGLBSA-N 267.329 0.411 0 50 CCAA O=C(Cn1ccnc1)NC1CCN(C2CCOCC2)CC1 222224966 JTGBPTJKXOZQBW-UHFFFAOYSA-N 292.383 0.643 0 50 CCAA NC1CC(c2cc(NCCCn3ccnn3)ncn2)C1 223742721 KZCLPXITNVJAPF-UHFFFAOYSA-N 273.344 0.775 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)c1cncc(=O)[nH]1 426377956 KDZNXZSVQJDNPS-VIFPVBQESA-N 261.285 0.175 0 50 CCAA C[C@@H](CN1CCOCC1)C(=O)NCC1(CO)CCCC1 331033996 KMCLGLDFDPXSSH-ZDUSSCGKSA-N 284.400 0.624 0 50 CCAA Cc1ncc(C(=O)N(C)[C@H](C)c2ccon2)c(=O)[nH]1 91505112 NZCPPILONPESKJ-SSDOTTSWSA-N 262.269 0.900 0 50 CCAA COc1cc(N2CC(C)(C)[C@@](C)(O)C2)nc(N)n1 91907237 QRVMMUAYQSZGCW-LBPRGKRZSA-N 252.318 0.665 0 50 CCAA CCCn1cc(NC(=O)N[C@@H](C)Cn2cncn2)nn1 95521456 HDXZTVBYHWVPEM-VIFPVBQESA-N 278.320 0.490 0 50 CCAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1ncn[nH]1 252536555 IVXFVLOBBZFWNQ-TUAOUCFPSA-N 287.323 0.312 0 50 CCAA CN(Cc1ncc(Cl)n1C)C(=O)[C@H]1CCCN1 237196366 PRNIGFLMEXRREF-MRVPVSSYSA-N 256.737 0.784 0 50 CCAA CC(=O)N1CC(Nc2cccc(C(N)=O)c2)=CC1=O 253409991 MSICYOVIWDWHOT-UHFFFAOYSA-N 259.265 0.470 0 50 CCAA biogenic O=C(CN1CCC[C@@H](O)C1)NCC1(CO)CCCC1 534663496 VZMNWBWDXBIYHE-GFCCVEGCSA-N 270.373 0.112 0 50 CCAA Cc1ccc([C@@H](O)CNS(=O)(=O)N2CCCC2)cc1 269758676 CBPYHDZIEATPKE-ZDUSSCGKSA-N 284.381 0.959 0 50 CCAA Nc1ccnc(-c2cnn(S(=O)(=O)C3CC3)c2)n1 222089872 LGZCTXYBYNYHEJ-UHFFFAOYSA-N 265.298 0.263 0 50 CCAA CN1CCC[C@@H](C(=O)Nc2cnc3ccccn3c2=O)C1 1940195554 XDDROUINYKQQIK-LLVKDONJSA-N 286.335 0.975 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)CC1CCCC1 824504761 MWZPRKBYEXSVLM-RYUDHWBXSA-N 276.402 0.425 0 50 CCAA Cc1ccc(-c2nc(CC(N)=O)nn2CCO)n1C(F)F 828778551 XTVJADTZVIDOCS-UHFFFAOYSA-N 299.281 0.470 0 50 CCAA O=C(c1cccnc1)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076074111 VIIICCKVRSLVGF-OLZOCXBDSA-N 285.307 0.659 0 50 CCAA O=C(Nc1[nH]nnc1C(=O)N1CCCC1)[C@H]1CCSC1 1361474900 TZOONUCYXYKIKL-QMMMGPOBSA-N 295.368 0.732 0 50 CCAA C[C@H](Cn1cncn1)C(=O)NCCCn1cccc1 952972321 XAEQGSRPGYXJOU-GFCCVEGCSA-N 261.329 0.922 0 50 CCAA C[C@](CO)(NC(=O)c1cnc(C2CC2)nc1N)C1CC1 1446067638 AVPAJYMMEDDVEG-CQSZACIVSA-N 276.340 0.827 0 50 CCAA O=C1CCCC[C@@H](C(=O)NCCc2cncc(O)c2)N1 408522636 KXLFHDLJEJUNMP-LBPRGKRZSA-N 277.324 0.505 0 50 CCAA Cc1cnc(C(=O)NC[C@H]2CCc3nccn3C2)cn1 275294959 GLYCBVTZAIIZGD-LLVKDONJSA-N 271.324 0.974 0 50 CCAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H](C)N)C[C@@H](C)O1 166153826 HGMSEJWIYYSGPV-LPWJVIDDSA-N 269.389 0.434 0 50 CCAA O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@H](O)C1 272278811 XYJWBYCDRJHFPB-QMMMGPOBSA-N 271.294 0.171 0 50 CCAA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NC(N)=O)nn1 276309811 LWQOMYFERKGRLF-DTWKUNHWSA-N 267.333 0.658 0 50 CCAA CCCCCOCC(=O)NN1C(=O)[C@H](C)N(C)C1=O 585128287 XZCRLWGJXXHGBN-VIFPVBQESA-N 271.317 0.507 0 50 CCAA CSCC[C@@H](C)N(C)c1cc(=O)n(C)c(=O)n1C 596147522 RMFNXZIBOJNZQD-SECBINFHSA-N 271.386 0.662 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1875305617 GEEDDHYBDLBBOW-VUWMTLEZSA-N 265.309 0.494 0 50 CCAA Cc1cc(CN(C)c2nccc(N3CC[C@H](O)C3)n2)no1 1506396444 AQWVUQWJKKAHCH-LBPRGKRZSA-N 289.339 0.980 0 50 CCAA CN(C)c1ccnc(NC[C@](C)(O)CCCO)n1 1506395606 BZMWTCYATKFCRW-GFCCVEGCSA-N 254.334 0.478 0 50 CCAA COCCn1nnnc1NC(=O)c1csnc1C 906298103 TYDJRIVCYYCJTO-UHFFFAOYSA-N 268.302 0.337 0 50 CCAA CC(=O)NCc1c2c(c(O)c3c1OCO3)C(=O)N(C)CC2 1531862458 FQPGRVLUBAEXCQ-UHFFFAOYSA-N 292.291 0.385 0 50 CCAA CN1CC2(C1)CN(C(=O)[C@@H]1CCn3nccc3C1)C2 1857708955 WBKRLIJCNDPIIT-LLVKDONJSA-N 260.341 0.220 0 50 CCAA COC(=O)[C@H](C)NC(=O)C(F)(F)C1(O)CCCC1 225703453 SCIJUBTWNKIZEB-ZETCQYMHSA-N 265.256 0.605 0 50 CCAA CC(=O)c1cc2c(cc1O)O[C@@H]([C@@](C)(O)CO)C2 248381164 SHYHWQIISKJNHX-OLZOCXBDSA-N 252.266 0.642 0 50 CCAA biogenic CCc1nc(=NC[C@H]2CCN(C)C(=O)C2)s[nH]1 566136725 GMJPXGRQGQNJIH-QMMMGPOBSA-N 254.359 0.803 0 50 CCAA COCc1ccc(S(=O)(=O)N(C)CCC(=O)O)cc1 262423658 NLGRPIUGVCCRMN-UHFFFAOYSA-N 287.337 0.928 0 50 CCAA OCC1(CO)[C@H]2CN(Cc3ccccc3-n3cccn3)C[C@@H]21 1772708535 BYJPUOLEKLTCKO-GJZGRUSLSA-N 299.374 0.905 0 50 CCAA COCCNC(=O)c1cnc2sc(C)c(C)n2c1=O 16650861 FBHLWQWHTSERED-UHFFFAOYSA-N 281.337 0.749 0 50 CCAA O=C(CC1CCCCC1)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1857674600 PKUMWHRXOJFUNC-HBJVGIJOSA-N 269.341 0.600 0 50 CCAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@H]1C(=O)O 331695501 UMSIAUNKOZHZKB-UPZJHPNMSA-N 279.340 0.805 0 50 CCAA Cc1cccc(CC(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1 1875250216 GQAAXJHKZJNQGM-QHSBEEBCSA-N 277.320 0.181 0 50 CCAA Cn1c(N2C[C@H](O)[C@@H](O)C2)nc2cccc(F)c21 407958826 QEVBTFIDEWVZCS-UWVGGRQHSA-N 251.261 0.254 0 50 CCAA CC(C)NC1CCN(C(=O)NC[C@H]2COCCO2)CC1 408136516 FIRNRWZUCOHVRY-ZDUSSCGKSA-N 285.388 0.574 0 50 CCAA Cc1nn(CC(=O)N2CCOC[C@H]2CC2CCC2)c(=O)o1 640371249 AAKALCIGMQDAKV-GFCCVEGCSA-N 295.339 0.562 0 50 CCAA CCn1cc(CCN2CC[C@](O)(Cn3ccnn3)C2)cn1 671630789 NVKIGKPRFGBKHS-CQSZACIVSA-N 290.371 0.174 0 50 CCAA Cn1cc(Cl)c(C(=O)N=c2ccc3c([nH]2)OCCO3)n1 585123905 LYXRUWAQVWOVPU-UHFFFAOYSA-N 294.698 0.914 0 50 CCAA C[C@@H]1C[C@H](C(=O)Nc2ccn(CC(=O)O)n2)CCO1 262819170 VULZEMYRIILJRO-RKDXNWHRSA-N 267.285 0.721 0 50 CCAA O=C(NOC1CCC1)[C@@H]1CO[C@@H](Cn2cccn2)C1 1875301089 DJBBWIOFBXYBDK-CMPLNLGQSA-N 265.313 0.889 0 50 CCAA C=CC(=O)N[C@H]1CCC[C@@H]1N1CCCN(C)CC1 1875365970 CFZOKGCEKLNUPL-STQMWFEESA-N 251.374 0.847 0 50 CCAA OCc1cnc(N2CCN(Cc3ccco3)CC2)cn1 891612033 IGRGNZAFXBXQNT-UHFFFAOYSA-N 274.324 0.884 0 50 CCAA COc1ccc(OC)c(CN2CCN(CCO)CC2)c1 19606644 PDCFXNHEIPNQDH-UHFFFAOYSA-N 280.368 0.814 0 50 CCAA Cc1[nH]nc(C(=O)O)c1NC(=O)O[C@@H]1CCOC1 1775985097 MCLUHVFMSZEQDV-ZCFIWIBFSA-N 255.230 0.754 0 50 CCAA C[C@@H](CO)CNC(=O)Nc1n[nH]c(C(F)(F)F)n1 1776006394 VFFOEDXVBACSOB-SCSAIBSYSA-N 267.211 0.573 0 50 CCAA COC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)O 158605943 VHBWEWSLGDUAIK-GFCCVEGCSA-N 299.348 0.553 0 50 CCAA CCc1nc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c[nH]1 70421663 ZXENFPQSLIVNQZ-JTQLQIEISA-N 298.412 0.735 0 50 CCAA CN(C)S(=O)(=O)CCCN1CC[C@@H](O)CC(C)(C)C1 448552951 BHXOLOPXWRESBN-GFCCVEGCSA-N 292.445 0.751 0 50 CCAA Cc1nonc1CC(=O)N=c1nc2nccc(C3CC3)n2[nH]1 2100482176 CICGHIVCHBQQMM-UHFFFAOYSA-N 299.294 0.296 0 50 CCAA CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O 2390945 PBOUVYGPDSARIS-IUCAKERBSA-N 262.375 0.682 0 50 CCAA endogenous,in-man O=C1N=[S@](=O)(CC(O)(O)C(F)(F)F)c2ccccc21 1535642563 PUDHJIFLKGGAEA-IBGZPJMESA-N 295.238 0.911 0 50 CCAA c1ncnc(N2CCC(N3CCSCC3)CC2)n1 219803648 WPJRZCCHZVRPSY-UHFFFAOYSA-N 265.386 0.889 0 50 CCAA Cc1onc(N)c1S(=O)(=O)N1CCC[C@@H](C)C1 72240893 QBOKLEGQQMEGNN-SSDOTTSWSA-N 259.331 0.986 0 50 CCAA CCNc1ncc(C(=O)NC[C@]2(O)CCCNCC2)cn1 72159128 IXTCJWBGCRGYKH-AWEZNQCLSA-N 293.371 0.143 0 50 CCAA CN(Cc1nc[nH]n1)C(=O)[C@]1(O)CCc2ccccc2C1 367056225 WWASHLJKFREXNT-HNNXBMFYSA-N 286.335 0.683 0 50 CCAA CN(C[C@@H]1CCOC1)C(=O)Nc1cccc(C(N)=O)n1 127725585 XQMAUHJHDZVMFT-VIFPVBQESA-N 278.312 0.681 0 50 CCAA CNC[C@H](C)C(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 237290315 OTRRVZXZVUYNBP-BYNSBNAKSA-N 297.443 0.942 0 50 CCAA O=C1CN(c2ncnc3[nH]cnc23)CCN1C1CCCC1 32597708 PNSXQDOXYOBMFD-UHFFFAOYSA-N 286.339 0.944 0 50 CCAA C[C@@H]1CC[C@@H](C)N1CCN1CCN(CC(=O)O)CC1 237431357 CRDTYBUUJJNFPV-CHWSQXEVSA-N 269.389 0.561 0 50 CCAA O=C(O)[C@H]1CN(C(=O)/C=C/c2ccccn2)CCO1 237966614 JYFRWIHDUZSHMM-SGUJLRQBSA-N 262.265 0.407 0 50 CCAA CS(=O)(=O)NC[C@@H](c1cccnc1)N1CCOCC1 36096911 UYZBHSJMBJQEAB-LBPRGKRZSA-N 285.369 0.004 0 50 CCAA O=C(O)[C@H]1CN(CC2CC2)CCN(C(=O)c2cn[nH]c2)C1 219625091 NBHHFSZMPGQCAZ-LBPRGKRZSA-N 292.339 0.278 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCc1ccccc1 225723807 HAUYFFDGFFLJSE-YIYPIFLZSA-N 287.315 1.000 0 50 CCAA CC(C)c1noc(Cn2ccnc2S(C)(=O)=O)n1 177310681 QMMNTFSUWWUQRR-UHFFFAOYSA-N 270.314 0.841 0 50 CCAA Cc1nnnn1CCC(=O)NCc1ccc2nonc2c1 223692931 FQDYLALQGWBOQP-UHFFFAOYSA-N 287.283 0.224 0 50 CCAA O=C1[C@@H]2[C@H]3C[C@H]4[C@H](O[C@H]([C@H]42)N1Cc1ccccc1)[C@@H]3O 238900555 JNIYESDZDSVWHU-LFCJOEBUSA-N 271.316 0.997 0 50 CCAA Cc1nn(C)c2nc(NC[C@H]3CN(C)CCN3C)sc12 96142144 ZQZVMPFTEBGNLU-JTQLQIEISA-N 294.428 0.996 0 50 CCAA C[C@@]1(CNC(=O)c2c[nH]c3nccc-3c2)CCC(=O)N1 622098122 WXSMYPIKZWIFRX-AWEZNQCLSA-N 272.308 0.913 0 50 CCAA COC[C@@H]1[C@H](NC(=O)c2cc(OC)ccn2)[C@H]2CCO[C@@H]12 1074596829 IWPCULTYOJHPTB-HBJVGIJOSA-N 292.335 0.870 0 50 CCAA CC[C@H]1[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H]2CCO[C@@H]12 1074600172 ZLDJXMGABJWZRR-OEIWMXHLSA-N 293.323 0.029 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)COCCc1ccccc1 299753430 YFMSCVXMGDDQGY-CYBMUJFWSA-N 293.319 0.558 0 50 CCAA CC(=O)N1CCO[C@@H](CNC2CSCCSC2)C1 534671721 GCSFUVOWPVMIPC-LBPRGKRZSA-N 290.454 0.672 0 50 CCAA CCOC(C)(C)C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 534656076 RCMYJPFERDEYCO-NXEZZACHSA-N 254.330 0.738 0 50 CCAA COCCN(C)CC(=O)N(C)C[C@@H]1CCCNC1 534644681 BPEKMOGVZIYSKU-GFCCVEGCSA-N 257.378 0.023 0 50 CCAA N[C@@H](CO)C(=O)NCC1(c2ccc(Cl)cc2)CC1 299796126 MTFGXYXYBDZJFQ-NSHDSACASA-N 268.744 0.807 0 50 CCAA CC(C)c1nc(CCNC(=O)c2nccn2C)no1 299770936 ODWYDWYZERGBRT-UHFFFAOYSA-N 263.301 0.899 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CCN(c3nc[nH]n3)CC2)o1 299782556 SXVZZPFRWUXVPL-UHFFFAOYSA-N 289.295 0.029 0 50 CCAA CC[C@@H](O)CN1CCC(CNC(=O)c2ccon2)CC1 822603774 ZIIZGWZYMINAFR-GFCCVEGCSA-N 281.356 0.887 0 50 CCAA Cc1nnnn1CCC(=O)N(C)C[C@@H]1CC1(C)C 584887444 HWLIPXVIWJYLSR-JTQLQIEISA-N 251.334 0.876 0 50 CCAA Cn1ccnc1C(=O)NCc1cn2c(n1)SCC2 828215261 HRWVLKLXOVUDKM-UHFFFAOYSA-N 263.326 0.652 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)c2cc(OC)ccn2)C1 584898407 BGXYPUQSPJMKOD-JTQLQIEISA-N 277.324 0.688 0 50 CCAA O=C1C[C@@H](C(=O)NCCc2cnn[nH]2)C2(CCCC2)O1 584892727 VOFROEIMRCGZDE-JTQLQIEISA-N 278.312 0.339 0 50 CCAA Cc1ncn(CCNC(=O)N2CC[C@H](CO)C2)c1C 670445251 MBBJBOSTKOHUJV-LBPRGKRZSA-N 266.345 0.524 0 50 CCAA COc1ncncc1NC(=O)C(=O)NC(C)(C)C 170609791 JDHJVBLDNQMECQ-UHFFFAOYSA-N 252.274 0.338 0 50 CCAA Cc1cc(C(=O)NCC(N)=O)nc(C(F)(F)F)n1 186461039 YYKXMYKIOLVDDA-UHFFFAOYSA-N 262.191 0.019 0 50 CCAA Cn1nncc1CC(=O)N1CCC[C@H](N2CCCC2)CC1 668987409 JEFNMZMJBUWFNB-ZDUSSCGKSA-N 291.399 0.835 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C[C@H](O)CN1CCCC1 685940569 OHFYOGMXPGBCRY-TZMCWYRMSA-N 286.372 0.009 0 50 CCAA CC(C)(C)n1cnc(C(=O)NCC2(C(=O)O)CC2)n1 570849999 VONKLBWEMWDIMN-UHFFFAOYSA-N 266.301 0.628 0 50 CCAA Cc1cc(COCC(=O)N[C@@]23CCC[C@H]2NCC3)no1 1615545332 GOHVGULLMGXZOG-TZMCWYRMSA-N 279.340 0.900 0 50 CCAA COc1cc(O)ncc1C(=O)N[C@@H]1CCNC12CCC2 1615546484 LLUBNYZOVHANNW-LLVKDONJSA-N 277.324 0.810 0 50 CCAA CCn1cncc1CNC(=O)c1nsnc1C 1857688063 RGLVFAOAAOJFIN-UHFFFAOYSA-N 251.315 0.993 0 50 CCAA CS(=O)(=O)N[C@H]1CCN(Cc2nc(C3CC3)no2)C1 116887584 GSUCYCJNPFSTPO-VIFPVBQESA-N 286.357 0.071 0 50 CCAA CCc1cc(-c2nc([C@H](C)NC(N)=O)no2)n[nH]1 350532994 PVLNPPDXNIOYON-YFKPBYRVSA-N 250.262 0.751 0 50 CCAA COCC1(CNC(=O)NCCn2cccn2)CCC1 252478181 AFFNLLYFTYPHRP-UHFFFAOYSA-N 266.345 0.999 0 50 CCAA CN(C)C(=O)CCC(=O)NCc1[nH]nc2ncccc12 1772808978 HVGYAHNJNWBLTB-UHFFFAOYSA-N 275.312 0.443 0 50 CCAA COC(=O)c1sc(Cl)cc1S(N)(=O)=O 16189893 LNKKVMGNGVNLEL-UHFFFAOYSA-N 255.704 0.836 0 50 CCAA O=C(CN1CCCCC1=O)NCCc1ccco1 19791304 OXNHDTONYOHRTL-UHFFFAOYSA-N 250.298 0.951 0 50 CCAA O=C(CCCn1cccn1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857707834 LSQZXRIOAVMHGS-HZSPNIEDSA-N 293.367 0.662 0 50 CCAA CCC[C@H]1COC[C@H]2CN(Cc3n[nH]c(C)n3)CCN12 1875249167 JLLLMNHDYUMREL-QWHCGFSZSA-N 279.388 0.798 0 50 CCAA Cc1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 380554 WXTCJGIYDSAIAW-UHFFFAOYSA-N 284.319 0.790 0 50 CCAA COc1ccccc1N1CC[C@@H](n2cc(CO)nn2)C1=O 641111732 FZXJNHSURDZGFJ-GFCCVEGCSA-N 288.307 0.757 0 50 CCAA CC1CCN(C[C@@H](C)N=c2nc3[nH][nH]cc-3c(O)n2)CC1 664456353 JTHDHQOKTBJZFZ-SNVBAGLBSA-N 290.371 0.964 0 50 CCAA CC(C)(C)n1nnc(CN2CCC[C@H]2c2nc[nH]n2)n1 931140937 AWSRLZCGNMFFRE-VIFPVBQESA-N 276.348 0.883 0 50 CCAA O=C1NC[C@H](O)CC12CCN(Cc1ccnc(F)c1)CC2 932831240 JEHBAENUGNIULV-GFCCVEGCSA-N 293.342 0.684 0 50 CCAA CC(C)(C)OC(=O)NCCC1=NC2=NCCCN2N1 1857781201 VOBBEHLGUABVCD-UHFFFAOYSA-N 267.333 0.880 0 50 CCAA CC(C)(C)OC(=O)[C@](C)(O)CNC1COCCOC1 952995689 VJPJOAWNGARHIT-CYBMUJFWSA-N 275.345 0.084 0 50 CCAA Cn1cc(CNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cn1 236111215 AIHLFQDHUTWHFF-FIQHERPVSA-N 275.308 0.559 0 50 CCAA COc1nccc(CN2CCO[C@H](CNC(C)=O)C2)c1F 892056139 PYMIMRWORCEULI-GFCCVEGCSA-N 297.330 0.566 0 50 CCAA O=C(O)C[C@H]1CN(S(=O)(=O)C2(C(F)F)CC2)CCO1 1776002793 DMDHWRSJTCPTCZ-ZETCQYMHSA-N 299.295 0.289 0 50 CCAA Cc1nnc(CN2CCN(c3cnccn3)CC2)s1 271479097 XGIKBAJDNGPNLS-UHFFFAOYSA-N 276.369 0.959 0 50 CCAA CC(C)N(CCOCCO)c1ncnc2c1cnn2C 252488532 IUGBYBXVOBUBNK-UHFFFAOYSA-N 279.344 0.587 0 50 CCAA CN1CCO[C@@H]2CCN(c3ncnc(N)c3Cl)C[C@H]21 253394855 XMKFLQZSFIZZMS-RKDXNWHRSA-N 283.763 0.622 0 50 CCAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H](N)C1 269120839 SKNHWRBXFIOOBT-NSHDSACASA-N 296.392 0.962 0 50 CCAA CCCS(=O)(=O)NC1CCN(C[C@@H](C)OC)CC1 182062421 LRPAAUWRZZKGRN-LLVKDONJSA-N 278.418 0.815 0 50 CCAA Cc1nn(C)cc1CN1CCC2(CC1)C[C@H](O)CO2 97514335 KRHSPGOZDZSCSO-ZDUSSCGKSA-N 265.357 0.844 0 50 CCAA CC[C@@H]1CN(C(=O)[C@H](CCSC)NC(=N)O)C[C@@H]1O 330514152 LCAGWQVMFIXRAO-UTLUCORTSA-N 289.401 0.420 0 50 CCAA NC[C@@H]1C[C@H]2CN(C(=O)[C@H]3NCC34CCCC4)C[C@@H]12 2325787919 BXEHQPVMMJVRJI-ZDEQEGDKSA-N 263.385 0.572 0 50 CCAA c1cc(N2CCN(c3nn[nH]n3)CC2)nc(-n2ccnc2)c1 2325790693 BBRHBFAVBJGUFT-UHFFFAOYSA-N 297.326 0.107 0 50 CCAA O=S(=O)(C[C@@H]1CC2(CCC2)CO1)NCCc1cn[nH]c1 1475358769 UUKVCXZJDZKNFT-LBPRGKRZSA-N 299.396 0.831 0 50 CCAA Cn1ncc2c(c1=O)Sc1c(cnn(C)c1=O)S2 211148 OCDHEEJRGDBNKP-UHFFFAOYSA-N 280.334 0.490 0 50 CCAA COc1cc([C@]2(C)NC(=O)NC2=O)cc(OC)c1OC 394006 APKQJCVBKQBNRG-ZDUSSCGKSA-N 280.280 0.767 0 50 CCAA CC(C)=C(NC(=O)c1ccccc1)C(=O)NCCO 2285922 CLONDJDYQXCKNT-UHFFFAOYSA-N 262.309 0.819 0 50 CCAA Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1C 4250895 QRIDZFICDRWGFZ-UHFFFAOYSA-N 289.339 0.651 0 50 CCAA CN1CCN(NC(=O)[C@]2(C)CC2(Cl)Cl)CC1 4750174 IYAGCIVCGAOJKO-VIFPVBQESA-N 266.172 0.849 0 50 CCAA CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 7771548 MKKLPMLBGWZMHV-UHFFFAOYSA-N 268.338 0.831 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1nc[nH]c1C 67714199 LZSYJMWORAPZQS-MNOVXSKESA-N 293.371 0.128 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1Cc1cccnc1 67834310 CRTUVMMJFRCHNJ-KGLIPLIRSA-N 276.384 0.852 0 50 CCAA O=C(NCc1nc(C(=O)O)cs1)c1cncnc1 229802056 LDAKZIZKOSGLBW-UHFFFAOYSA-N 264.266 0.561 0 50 CCAA CN(C)[C@@]1(CNCC(=O)Nc2cnccn2)CCSC1 65386365 NGSDSGKRQSWVDC-CYBMUJFWSA-N 295.412 0.442 0 50 CCAA CNC(=O)CN(C)Cc1ccc(OC)c(C(=O)O)c1 215623166 XDEVSQFPYAZCKS-UHFFFAOYSA-N 266.297 0.571 0 50 CCAA Cc1nnnn1CC(=O)N1c2ccccc2C[C@@H]1C 123264092 RRUWVBUGIPZUQK-VIFPVBQESA-N 257.297 0.959 0 50 CCAA O=C1CC[C@H](C(=O)NCc2cccc(Cn3cccn3)c2)N1 124179032 IIOWKPPJVZAOHJ-CQSZACIVSA-N 298.346 0.826 0 50 CCAA O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 239654535 BOGFZZAHJJHPMW-PZWNZHSQSA-N 291.351 0.479 0 50 CCAA Cc1cc(N2C[C@H](O)[C@@H](N(C)C)C2)nc(-c2ccncc2)n1 365809055 JHOYFFCARLMUEU-KBPBESRZSA-N 299.378 0.958 0 50 CCAA COCCCn1nccc1CN1CCOC[C@@]12CCOC2 367126896 PIXWIKPLZCOJQF-HNNXBMFYSA-N 295.383 0.911 0 50 CCAA COCC(C)(C)C(=O)NCCc1nnc(S)n1C 131167203 ZIXVENDXUKVMDG-UHFFFAOYSA-N 272.374 0.435 0 50 CCAA O=C(NS(=O)(=O)c1ncccc1F)c1cccnc1 240902789 IVKNPCKGXRLJGL-UHFFFAOYSA-N 281.268 0.734 0 50 CCAA Cc1cc(C(F)(F)F)nc(N2C[C@H](O)[C@@H](N(C)C)C2)n1 367861161 YJROJWUVNPXKBY-IUCAKERBSA-N 290.289 0.915 0 50 CCAA CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1 72318677 PTVUGLNOPRZQEY-AWEZNQCLSA-N 293.363 0.684 0 50 CCAA Cc1ccc(CC(=O)N(C)[C@@H]2CCNC2=O)s1 334319358 UBHWLYDCCSXPJX-SNVBAGLBSA-N 252.339 0.946 0 50 CCAA Cc1n[nH]c(SCC(=O)NCCc2nnc(C)s2)n1 219724901 UTBAOSUDTMQIEK-UHFFFAOYSA-N 298.397 0.724 0 50 CCAA CC(C)(C)n1ncnc1CN1C[C@H](F)C[C@H]1C(N)=O 284650841 CRWRNWGIVGLZFX-BDAKNGLRSA-N 269.324 0.431 0 50 CCAA OC1CC(c2cc(NCCCN3CCOCC3)ncn2)C1 223825416 WVFDZKBPBSIMFN-UHFFFAOYSA-N 292.383 0.849 0 50 CCAA COc1ccc2[nH]nc(CN3CC[C@@H](N)[C@H](O)C3)c2c1 82137080 NSRFDXUQUUNQRE-BXUZGUMPSA-N 276.340 0.465 0 50 CCAA CCCO[C@@H](C)C(=O)NCCc1nc(C)cc(=O)[nH]1 220135226 HMIZODVCIQOZOB-JTQLQIEISA-N 267.329 0.552 0 50 CCAA Cc1cc(=O)c(C(=O)N2CC[C@H](C(C)(C)O)C2)cn1C 426489745 ZQCNZDRYBVLQNB-NSHDSACASA-N 278.352 0.927 0 50 CCAA CCOC(=O)N1CC[C@@H](N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)C1 426436536 IPVVUDUTRCQQNM-RGDJUOJXSA-N 279.384 0.899 0 50 CCAA CN(CCc1ccncc1)C(=O)CCNS(C)(=O)=O 195364555 OJERVKUZPVMGPR-UHFFFAOYSA-N 285.369 0.022 0 50 CCAA CC(C)c1noc(CNC(=O)N2CCNCC2)n1 426623128 XCMPCNSYXYUZIO-UHFFFAOYSA-N 253.306 0.308 0 50 CCAA [O-][n+]1onc2c1CC[C@@H]1N(O)[C@@H]3CCCC[C@H]3[C@@]21O 239415288 UCVCSJWSCKNRFP-LBRZWBMMSA-N 267.285 0.074 0 50 CCAA N[C@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1O 95077213 VKBBZJXAWNVLSE-RYUDHWBXSA-N 250.298 0.717 0 50 CCAA CC(C)c1nnsc1CNC(=O)Cn1cccnc1=O 97475624 HQPQKNNAHSZYBN-UHFFFAOYSA-N 293.352 0.535 0 50 CCAA CNC(=O)c1nc(Cn2c(=O)cnc3ccccc32)no1 95352222 PVDWYHZBXUURTJ-UHFFFAOYSA-N 285.263 0.187 0 50 CCAA CNc1ncc(C(=O)N2CC[C@]3(CCCNC3=O)C2)cn1 91745684 XHZBBWDHCOGUGV-CQSZACIVSA-N 289.339 0.261 0 50 CCAA CN1Cc2ccccc2[C@@H](NC(=O)[C@H]2CCCN2C)C1=O 623287547 CXMRMOHXIZMVRS-ZIAGYGMSSA-N 287.363 0.910 0 50 CCAA CCCC[C@H]1C(=O)N(C)CCN1Cc1nc(C)n[nH]1 252486495 HMERSNJJJMMHOY-NSHDSACASA-N 265.361 0.946 0 50 CCAA CC(C)N1C[C@@H](NS(=O)(=O)[C@@H]2CCOC2)[C@H](C)C1 299754156 HOZIVPJBZDRDDL-IJLUTSLNSA-N 276.402 0.423 0 50 CCAA CCc1nsc(N2CCC([C@H](O)C(N)=O)CC2)n1 299749447 KIXVILAXDAWVOT-VIFPVBQESA-N 270.358 0.163 0 50 CCAA COCCN1Cc2cc(C(=O)O)ccc2OCC1=O 252478537 APBFLZCZNMPAAL-UHFFFAOYSA-N 265.265 0.752 0 50 CCAA CC(C)c1cc(C(=O)NCCc2nc(N)n[nH]2)on1 534576777 XVOACTPGOBVNQV-UHFFFAOYSA-N 264.289 0.471 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)CCN1CCCCCC1=O 534580299 HQKUWGNQXKMOIZ-STQMWFEESA-N 298.383 0.699 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)NC1(C)CCNCC1 534673446 JAWMRPJRKMCVFR-UHFFFAOYSA-N 252.318 0.225 0 50 CCAA COCC(=O)N1CC[C@@H](Nc2nc(C)cc(C)n2)[C@H](O)C1 299755928 GEYSXHWXTALHJA-VXGBXAGGSA-N 294.355 0.114 0 50 CCAA CCOC(=O)N1CC[C@H](NCCc2ncnn2C)C1 584884959 RVBDSAJQFJFEPT-JTQLQIEISA-N 267.333 0.178 0 50 CCAA COCC1(CNC(=O)[C@@H](C)NC(=O)OC)CCC1 670439406 KKIXFGFLAJITIJ-SECBINFHSA-N 258.318 0.664 0 50 CCAA CS(=O)(=O)Nc1ccc([C@@H]2CNCC[C@H]2N)cc1 757207388 ATIRCNZRYHPLEQ-NWDGAFQWSA-N 269.370 0.462 0 50 CCAA CC(C)c1noc(N2C[C@@H]3OCCN(C)[C@@H]3C2)n1 301639990 GGMVJOUUDWBESV-ZJUUUORDSA-N 252.318 0.712 0 50 CCAA CN(CC(=O)Nc1ccccc1C(=O)O)S(C)(=O)=O 547557477 OIPBVVHYSCIQGH-UHFFFAOYSA-N 286.309 0.215 0 50 CCAA CC1(C)CNC(=O)c2cn(CC(=O)NC3CC3)nc2C1 634559463 SNSLGQMBCOIDLN-UHFFFAOYSA-N 276.340 0.474 0 50 CCAA C[C@@]1(CO)CCCN1C(=O)CCn1cnccc1=O 551866314 TVENORQSXZCUBF-ZDUSSCGKSA-N 265.313 0.007 0 50 CCAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@H](O)[C@@H](C)O)C1 585117318 YINZXNCJXOKTGB-DGAVXFQQSA-N 286.416 0.745 0 50 CCAA CC(C)[C@@H](CCO)NC(=O)C(C)(C)CN1CCOCC1 585129785 WMUJQDPMWWLKHH-CYBMUJFWSA-N 286.416 0.868 0 50 CCAA Cn1cc(CCN[C@@H]2CCC(=O)NC2(C)C)nn1 647324464 XAFQVZSTKHVCOQ-SNVBAGLBSA-N 251.334 0.004 0 50 CCAA COC(=O)c1sc(NC(=O)[C@H](C)CN)nc1C 566193758 KLHHUEBBCDYWIR-RXMQYKEDSA-N 257.315 0.771 0 50 CCAA CO[C@H]1CNC[C@H]1NC(=O)c1sc(C)nc1C 134023820 NXEXKUZPDHFPJV-BDAKNGLRSA-N 255.343 0.477 0 50 CCAA Cc1cc(COCC(=O)N2C[C@@H](N)C3(CCC3)C2)no1 1615552967 FQVDTLDYEDKBCJ-GFCCVEGCSA-N 279.340 0.839 0 50 CCAA O=C(c1cnc(O)cn1)N1CCOC2(CCCC2)C1 219216300 URXCBWHQPZODOT-UHFFFAOYSA-N 263.297 0.967 0 50 CCAA Cc1nc(N)nc(NC[C@@H]2CN(C)CCN2C)c1Cl 1506407376 NQGKWPDISLIHQO-SECBINFHSA-N 284.795 0.678 0 50 CCAA CN1CCO[C@H]2CCN(c3ncnc(N)c3Cl)C[C@@H]21 225474332 XMKFLQZSFIZZMS-IUCAKERBSA-N 283.763 0.622 0 50 CCAA CC(=O)N[C@@H](CC(C)C)C(=O)N(CCO)Cc1ncc[nH]1 1704313321 ITYJVNJXIZFNPS-LBPRGKRZSA-N 296.371 0.281 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COC2CCCCC2)C1 345077318 RGTJAOCPYAOAII-RYUDHWBXSA-N 284.356 0.437 0 50 CCAA Cc1nc[nH]c1CN1C[C@H]2COC[C@@H]1CN(C)C2 1772703615 YLZFCCNHCSPCHG-RYUDHWBXSA-N 250.346 0.481 0 50 CCAA CCCN1CCCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 19113931 JNARQXHSXYTEHA-CYBMUJFWSA-N 293.411 0.942 0 50 CCAA O=C(c1cnn(Cc2ccccc2)c1)N1C[C@@H](O)CO1 1857682073 HEBTWJVGCCJVLP-CYBMUJFWSA-N 273.292 0.680 0 50 CCAA Cc1cccnc1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1875248361 MPHKMUDFKNZTRP-STQMWFEESA-N 275.352 0.793 0 50 CCAA CO[C@H]1CC[C@H](C(=O)N2CCC(n3cnnc3O)CC2)C1 614259898 FABBTDHIRMYEFX-JQWIXIFHSA-N 294.355 0.962 0 50 CCAA CCN1CCO[C@@H](C(=O)NC[C@@H](O)Cc2ccccc2)C1 229952555 KGUQCTLBHSQZTB-LSDHHAIUSA-N 292.379 0.427 0 50 CCAA C[C@H](OCC1CC1)C(=O)Nc1ccn([C@@H]2CCNC2)n1 328624011 JPCMLIVPEDLTDN-CMPLNLGQSA-N 278.356 1.171 0 50 CCAA O=C1C[C@H](Cn2cc(CN3Cc4ccccc4C3)nn2)CN1 900552809 MBLOUTPLPVAGNP-LBPRGKRZSA-N 297.362 0.930 0 50 CCAA CC(C)N1CCCN(C[C@H](O)C2(O)CCOCC2)CC1 929493447 SUSZQWXEMRDQGZ-AWEZNQCLSA-N 286.416 0.305 0 50 CCAA CS(=O)(=O)NC[C@H]1CCN(c2cccc(C(=O)O)n2)C1 1875269716 NDCYOBZTJWTLID-SECBINFHSA-N 299.352 0.155 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@](C)(O)c1ccc(F)cc1 1875272877 BVVPKISMWOMVMB-XGACYXMMSA-N 281.283 0.879 0 50 CCAA CC[C@@H](C(=O)NS(=O)(=O)CCNC(C)=O)C(C)C 1875285212 GTKKIGPSNREYGG-SNVBAGLBSA-N 278.374 0.251 0 50 CCAA Cc1nn(C)c(Cl)c1CN(C)c1cc(C(N)=O)ncn1 882519153 PJOJHGNQKDPJDZ-UHFFFAOYSA-N 294.746 0.907 0 50 CCAA O=C1NC[C@@H](O)CC12CN(c1ncc(Cl)s1)C2 1775278690 REHXVMCBTYRFQH-LURJTMIESA-N 273.745 0.484 0 50 CCAA Cn1cc(CCCNC(=O)[C@H]2C[C@@H]2C(=O)O)cn1 268910107 MRTBYBHWEOGBHH-UWVGGRQHSA-N 251.286 0.190 0 50 CCAA CNc1ncccc1C(=O)N1CCn2cncc2C1 72156189 OZXNYUVKQHINMG-UHFFFAOYSA-N 257.297 0.976 0 50 CCAA COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 336961674 CHNWFSRTDWLNEC-KTWSDMTRSA-N 265.309 0.431 0 50 CCAA O[C@@H]1C[C@@H](O)C12CCCN(Cc1cncs1)C2 2325792538 PFMAYDOMEQTDNL-GHMZBOCLSA-N 254.355 0.851 0 50 CCAA CC(C)N(CCc1nn[nH]n1)C(=O)[C@H]1CC2(CC2)CO1 2325808772 TWHHTPBDBVDRNA-SNVBAGLBSA-N 279.344 0.548 0 50 CCAA COc1ccc(S(=O)(=O)N(C)CC(=O)O)cc1C 565056 OPGHEGXAEGHYDM-UHFFFAOYSA-N 273.310 0.709 0 50 CCAA Cc1cc(N2CCC[C@]3(CN(C)CC[C@@H]3O)C2)nc(=N)[nH]1 2356158823 AYQGPZBFXVBEJX-WFASDCNBSA-N 291.399 0.481 0 50 CCAA Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1 3781835 KSPYMJJKQMWWNB-UHFFFAOYSA-N 275.312 0.289 0 50 CCAA in-man O=S1(=O)CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1 4324747 XMAKFKYBMVQGOY-SECBINFHSA-N 293.341 0.291 0 50 CCAA O=C(C[C@@H]1CCCC[C@H]1O)N1CCS(=O)(=O)CC1 343274056 PMOCIAJAWLIDHC-WDEREUQCSA-N 275.370 0.185 0 50 CCAA Cc1nc(N2CCCC[C@@H]2CO)ncc1C(=O)O 134344579 USBCDYRXOSLICT-SECBINFHSA-N 251.286 0.834 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1n[nH]c2ccccc2c1=O 125312394 VLUNHXIZDIFUMQ-SECBINFHSA-N 272.308 0.357 0 50 CCAA CCONC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 119775289 PBGQJYHYGWNFSH-UHFFFAOYSA-N 279.321 0.904 0 50 CCAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)CCc1cnccn1 65388137 BGNKZIZCBSNBEI-NEPJUHHUSA-N 274.324 0.289 0 50 CCAA COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC(OC(F)F)C1 355030093 IRQTXZFKEAKIHP-JGVFFNPUSA-N 263.240 0.636 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 331483794 XPOOJTVGXPUIHL-ZOBORPQBSA-N 284.400 0.715 0 50 CCAA C/C=C/Cc1nnc(C(=O)N2CCC(C(N)=O)CC2)o1 71759391 ZLFUDKCMGSZNFK-NSCUHMNNSA-N 278.312 0.526 0 50 CCAA O=C1NCCN(Cc2ncc[nH]2)[C@H]1Cc1ccccc1 216468707 YTEUPIPEFDCKMS-ZDUSSCGKSA-N 270.336 0.953 0 50 CCAA CC(=O)N(C)CC(=O)N1CC(C)(C)O[C@]2(CCOC2)C1 366531168 OCBHZZNAOJELMW-CQSZACIVSA-N 284.356 0.261 0 50 CCAA Cc1nc(N)ncc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 1074517177 YRCXVKMYKZKTRB-KOLCDFICSA-N 261.329 0.143 0 50 CCAA CO[C@H](C(=O)N1CCC[C@H](n2ccnn2)C1)C1CC1 333222485 AGXIULDZFCRAKK-RYUDHWBXSA-N 264.329 0.867 0 50 CCAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/CN(C)C 492060603 WUEVLKZFEPQYLZ-ZRQQLDRUSA-N 263.345 0.655 0 50 CCAA CN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 262336525 WFNZMWVZDVGDBV-UHFFFAOYSA-N 297.332 0.911 0 50 CCAA C[C@H]1COCC[C@H]1CNC(=O)N1CCNC(=O)CC1 334747941 KIIAEEIYFVCDEA-QWRGUYRKSA-N 269.345 0.191 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 374878030 NBUQFVRWEUBYQO-ONYUAGEFSA-N 265.357 0.374 0 50 CCAA Cc1nc([C@@H]2CCCN(Cc3cn[nH]c3C(=O)O)C2)n[nH]1 214972523 YKKARUKOKHVPTR-SECBINFHSA-N 290.327 0.914 0 50 CCAA C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)CC(=O)N1 335551429 QQNCGNQPMCAJLP-LLVKDONJSA-N 288.347 0.901 0 50 CCAA O=C(O)CCNC(=O)[C@H]1CCCN(c2ccccn2)C1 378182402 HFUCQKHEFOZPOT-NSHDSACASA-N 277.324 0.889 0 50 CCAA O=C(CCN1CCOC[C@@H](CO)C1)NCc1ccco1 77487580 VKMNUTXLIHZQLK-GFCCVEGCSA-N 282.340 0.227 0 50 CCAA C[C@H]1CCc2c(C(=O)N[C@@H](CO)C(N)=O)csc2C1 286502781 WDUYTRCKRWZBGM-XVKPBYJWSA-N 282.365 0.449 0 50 CCAA Cc1nc(Cn2nnc3c(cnn3C)c2=O)sc1C 176138502 FDCVPKXNSRCMGC-UHFFFAOYSA-N 276.325 0.647 0 50 CCAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 97301251 YPUNSGPHOWNNSR-SNVBAGLBSA-N 279.344 0.525 0 50 CCAA CCCN1CCC[C@]2(CCN(C(=O)c3ncn[nH]3)C2)C1=O 91574884 OTURBURNRHURJN-CQSZACIVSA-N 291.355 0.669 0 50 CCAA COc1cccc(Cn2ncnc2C[C@@H]2COCCN2)c1 95377013 KRBUVJGVIUUFQZ-CYBMUJFWSA-N 288.351 0.866 0 50 CCAA CCc1nnc(NCCN2CCCC[C@@H]2CO)o1 91616700 YPEOMTAHNIKUDG-SNVBAGLBSA-N 254.334 0.891 0 50 CCAA CCC1=NO[C@H](CN2CCN(c3nccnc3O)CC2)C1 253537400 VIEFYRNIZPLFLA-LBPRGKRZSA-N 291.355 0.859 0 50 CCAA CN1CC[C@H](C(=O)N(C)CCCC(=O)O)CC1=O 299752983 WHMXSHPNFUMWTR-VIFPVBQESA-N 256.302 0.178 0 50 CCAA CCN(Cc1nncn1C(C)C)[C@H]1COC[C@@H]1O 252478151 AEKBRJHMRWAORG-QWRGUYRKSA-N 254.334 0.441 0 50 CCAA CCN1CCO[C@@H](C(=O)NN2Cc3ccccc3C2=O)C1 183840183 GECXWROAKLAAAE-CYBMUJFWSA-N 289.335 0.394 0 50 CCAA N[C@@H](Cc1ccccc1)C(=O)NCc1cnc(O)nc1O 253537240 GSPVUEGMTPHFBA-NSHDSACASA-N 288.307 0.074 0 50 CCAA Cc1nc(O)c(Cl)c(NC[C@@H]2CN(C)CCO2)n1 534588922 QHPBNWACEQJQDH-MRVPVSSYSA-N 272.736 0.887 0 50 CCAA COCc1ccc(C(=O)NCc2nc(N)n[nH]2)s1 534636267 KOQNZBPQGYMLQQ-UHFFFAOYSA-N 267.314 0.525 0 50 CCAA COCc1ccc(C(=O)NC[C@H]2CN(C(C)=O)CCO2)o1 299782912 GTYBMRNYFGAHRC-LBPRGKRZSA-N 296.323 0.403 0 50 CCAA CCCc1nc(CNC(=O)Cn2cccnc2=O)cs1 299793247 HYRJOBJYTOEAAS-UHFFFAOYSA-N 292.364 0.969 0 50 CCAA COCCN1CC[C@H](CN(C)c2cnccn2)C1 824412383 LFIJNULYDWICCE-GFCCVEGCSA-N 250.346 0.881 0 50 CCAA CN(C)[C@@H]1C[C@H]2C(=O)N[C@@H](C3CCCCC3)C(=O)N2C1 828321136 SCKWRVOVIYUJJB-AGIUHOORSA-N 279.384 0.596 0 50 CCAA CC(C)(CN1CCC[C@@H]1C(=O)O)N1CCOCC1 828544533 QYHOPYUTEIVCIO-LLVKDONJSA-N 256.346 0.646 0 50 CCAA CN1C[C@@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)CC1=O 584893359 HZRSXXBYFLMDLX-ZCFIWIBFSA-N 290.245 0.637 0 50 CCAA O=C([C@@H]1CCCO1)N1CCC(NCc2cc[nH]n2)CC1 584895204 OYAFSBCZKXKIBT-ZDUSSCGKSA-N 278.356 0.669 0 50 CCAA CN1C[C@@H](Nc2nccn3nnnc23)Cc2ccccc21 585132628 HDIXEHHRZRLQEB-NSHDSACASA-N 281.323 0.992 0 50 CCAA COCCn1nc(C[C@H]2CCCC[C@H]2N)n(C)c1=O 685942978 PCUJNQQSFJOLPV-GHMZBOCLSA-N 268.361 0.288 0 50 CCAA CN(Cc1cnn(C)c1)[C@H]1CCC[C@H]1S(C)(=O)=O 239637073 BIRJQMYJGFJXMQ-NWDGAFQWSA-N 271.386 0.818 0 50 CCAA CCOC(=O)N1CC[C@H](NC(=O)c2conc2COC)C1 1361417653 KMDJJMDXFIPDMN-VIFPVBQESA-N 297.311 0.782 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)[C@@H](CO)CCS2(=O)=O 91303239 HVUXRNDAOUSVLC-SECBINFHSA-N 291.369 0.403 0 50 CCAA in-vitro CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1ncc(F)cn1 269530714 YOPLZXDUVMQAKC-PSASIEDQSA-N 288.348 0.746 0 50 CCAA Cc1ccc([C@H]2CN(C(=O)CO)C[C@@H]2N(C)C)cc1 1565529417 DDHDZYXBTLNONV-KGLIPLIRSA-N 262.353 0.843 0 50 CCAA CC1CCC(NC(=O)CN2C[C@@H](C)[C@H](C(N)=O)C2)CC1 408047450 GVBVKVPIKDDBJF-POOIEITISA-N 281.400 0.735 0 50 CCAA COCCC(C)(C)C(=O)N1CC[C@](O)(c2cnn[nH]2)C1 583619111 IAGMDZCTRKUVDE-CYBMUJFWSA-N 282.344 0.287 0 50 CCAA COc1ccccc1CNC(=O)[C@@H](C)ONC(=N)CO 585122948 KKFUMBYQFWHTFQ-SECBINFHSA-N 281.312 0.191 0 50 CCAA O=C(NC1CC1)[C@H](O)C1CCN(Cc2cncs2)CC1 585655748 ZMYPZNNLAVNVEE-CYBMUJFWSA-N 295.408 0.995 0 50 CCAA COC[C@H]1CN(C(=O)Nc2cnns2)CCO1 192333916 BLSBJRPYBXBCRD-SSDOTTSWSA-N 258.303 0.417 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1ccc(F)c(N)c1 200326220 YZSWHFNIIPTWHJ-UHFFFAOYSA-N 255.098 0.662 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)NCCC1CCOCC1)C2 1615589118 KNJOEADOOUPZRU-JSGCOSHPSA-N 267.373 0.936 0 50 CCAA CO[C@H](C)c1nc(C)c(C(=O)N2CC(O)C2)s1 305147773 SIWMSZOCYXAGAU-SSDOTTSWSA-N 256.327 0.976 0 50 CCAA O=C([C@H]1CC=CCC1)N1CCCS(=O)(=O)CC1 328812384 FPBAIBJYOQDEKV-NSHDSACASA-N 257.355 0.990 0 50 CCAA Cc1nnc([C@H]2C[C@@H](NC(=O)N3CC(F)C3)C2)o1 1875295023 BMIGKTMSVKULCY-OTSSQURYSA-N 254.265 0.987 0 50 CCAA Cc1[nH]nc2c1CN(CC[C@H]1COCCO1)CC2 1800414140 LFZIGCRJXPEGKN-NSHDSACASA-N 251.330 0.882 0 50 CCAA O=C(c1ncc[nH]c1=O)N1CCC[C@@H](C2(O)CC2)C1 1772815107 IYCXTWPNIFTBHT-SECBINFHSA-N 263.297 0.147 0 50 CCAA O=S(=O)(NCCN1CCOCC1)c1ccc(F)cc1 19606534 MGKMBZCISLUZRQ-UHFFFAOYSA-N 288.344 0.436 0 50 CCAA CCCCNC(=O)CN1C(=O)NC2(CCOCC2)C1=O 169773465 KYBXFXCUUMYBQT-UHFFFAOYSA-N 283.328 0.004 0 50 CCAA CC(C)[C@H]1CN2C[C@@H](NC(=O)c3cn[nH]c3)C[C@H]2CO1 1857717605 PTFAQUIIYYABAX-RWMBFGLXSA-N 278.356 0.637 0 50 CCAA N=c1ccc(-c2cnc(N3CCC[C@H](O)C3)nc2)c[nH]1 629760261 YDCIRCDECCBCFB-LBPRGKRZSA-N 271.324 0.912 0 50 CCAA C[C@@H]1OCC[C@@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 331916170 LHLVKXYKZOIEGX-WPRPVWTQSA-N 281.312 0.906 0 50 CCAA C[C@@H]1CCCN1CCNC(=O)c1cnc(C(=O)O)cn1 842655398 FRZQGRKTENKZDE-SECBINFHSA-N 278.312 0.389 0 50 CCAA CCOC(=O)[C@]1(F)CN(C(=O)NC2CC2)CC12COC2 1875269356 ABQGZKBDOMRVAN-CYBMUJFWSA-N 286.303 0.462 0 50 CCAA Cn1nccc1[C@@H](N)C(=O)Nc1ccc2c(=O)[nH]ccc2c1 1875350575 SESFZIIQAIQSLY-CYBMUJFWSA-N 297.318 0.900 0 50 CCAA CN(C)C/C=C/C(=O)N1CCC[C@@H](n2ccnn2)CC1 1875366812 DLJNIAMQUDAIBY-DIECRNLCSA-N 277.372 0.950 0 50 CCAA CCOc1cc(C(=O)N[C@@H]2CCCn3ncnc32)[nH]n1 1775988035 GQJPTWMOHNYHTO-MRVPVSSYSA-N 276.300 0.665 0 50 CCAA NC(=O)[C@]1(O)CCCN(c2ccnc(C(F)(F)F)c2)C1 284756491 YAEWTECDNRGXQM-NSHDSACASA-N 289.257 0.917 0 50 CCAA Cc1cnn(C[C@H]2CN(C[C@H](O)C(F)(F)F)CCO2)c1 181692101 FZTAAIZCGYBDNQ-MNOVXSKESA-N 293.289 0.816 0 50 CCAA CSc1nc(N)cc(N(C)Cc2nncn2C)n1 310956290 AWYALDLECHRTMO-UHFFFAOYSA-N 265.346 0.546 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1c(C)cnn1C 701329614 LSUPNUDSDRLPDV-CYBMUJFWSA-N 267.329 0.794 0 50 CCAA CC(C)n1cccc1C(=O)NCCCc1nn[nH]n1 584890270 DQBRKXKEWTWCHT-UHFFFAOYSA-N 262.317 0.945 0 50 CCAA O=C(Cc1cnn(-c2ccccc2)n1)NO[C@@H]1CCOC1 2325733504 YPCPNXSYJXEJMO-CYBMUJFWSA-N 288.307 0.647 0 50 CCAA O=C1OCC[C@@H]1CNS(=O)(=O)c1cnc(C2CC2)o1 2325804126 WRMDSZLYOHECCM-MRVPVSSYSA-N 286.309 0.393 0 50 CCAA O=C(c1cccc2cnccc12)N1CC[C@H](O)[C@@H](O)C1 72122503 RATAXMLKGZZRSD-KBPBESRZSA-N 272.304 0.803 0 50 CCAA C[C@H]1C[C@@H](C(=O)O)CCN1C(=O)[C@H](C)n1cncn1 235593681 QXKFZFWUWJDKOV-GUBZILKMSA-N 266.301 0.551 0 50 CCAA CCOC(=O)CSCC[C@@H]1N[C@@H](C(=O)O)CS1 1846342 IKOCLISPVJZJEA-HTQZYQBOSA-N 279.383 0.789 0 50 CCAA in-man COCCc1noc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)n1 246990672 AXPSOBBUXGFSPC-RYUDHWBXSA-N 298.387 0.145 0 50 CCAA COC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1 20358000 VLMVFRLASKOYKX-VIFPVBQESA-N 258.318 0.758 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2cccc(N(C)C)n2)N(C)C1 330576398 OPWVGNFHLPWPKD-STQMWFEESA-N 292.383 0.483 0 50 CCAA CS(=O)(=O)N(CCCO)Cc1cn2c(n1)CCCC2 328630649 QBYQCGVCMTZLFC-UHFFFAOYSA-N 287.385 0.363 0 50 CCAA Cc1ncc2c(c1CNC(=O)Cn1nccc1C)CCNC2 77374989 JWUVQUMEUPNXGG-UHFFFAOYSA-N 299.378 0.857 0 50 CCAA Cn1cc(N2CCC[C@H](NC(=O)c3cnsn3)C2)cn1 154076122 RHGNWLOOUWSRHJ-VIFPVBQESA-N 292.368 0.670 0 50 CCAA COC[C@H]1CN(C(=O)C2(C(C)=O)CC2)C[C@@H](C)O1 331420813 QIHOOWMHDXPMCJ-MWLCHTKSSA-N 255.314 0.618 0 50 CCAA CCN1CCO[C@@H](C(=O)N2CCCc3n[nH]cc32)C1 366063843 ZPKNZBVAGGGEJI-GFCCVEGCSA-N 264.329 0.410 0 50 CCAA Cn1cc(C(=O)C(=O)N[C@@H](C(=O)O)c2ccccc2)cn1 156284059 HHJCQTWBILTMNR-LLVKDONJSA-N 287.275 0.545 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@H]([C@@H](C)N)C2)CC1 156304786 RGUUUENOBBBPKO-ZJUUUORDSA-N 253.346 0.098 0 50 CCAA CS(=O)(=O)N1CCC[C@@H](Cc2nnc3ccccn23)C1 368764082 FEHPIQQXPAMPSE-NSHDSACASA-N 294.380 0.943 0 50 CCAA Cc1cc(CC(=O)N[C@H]2COC[C@@H]2N2CCCC2)on1 218992853 SIBUBJGRWIOTJK-STQMWFEESA-N 279.340 0.505 0 50 CCAA Cc1c[nH]cc(C(=O)NC[C@]2(N(C)C)CCSC2)c1=O 334031937 ABZHBUWKUANEER-CQSZACIVSA-N 295.408 0.850 0 50 CCAA Cc1cc(C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)co1 284637176 NSVJFIQPOMFNMX-CQSZACIVSA-N 290.323 0.847 0 50 CCAA COCc1nc(CNC(=O)C(=O)Nc2ccccc2)no1 222860321 QNCQQXHBJYYYKU-UHFFFAOYSA-N 290.279 0.471 0 50 CCAA O=c1nc(C2CCN(c3ncc(Cl)cn3)CC2)[nH][nH]1 287559881 CMRSVSNWRQWLEK-UHFFFAOYSA-N 280.719 0.925 0 50 CCAA CCn1nncc1CNC(=O)N1CCC(C)(C(=O)O)CC1 626772320 CEKVZCCEQTZCPE-UHFFFAOYSA-N 295.343 0.694 0 50 CCAA CN1C[C@H](C(=O)N2CCC(c3ncon3)CC2)CC1=O 426377995 MTGGVPFSDHEOSV-SNVBAGLBSA-N 278.312 0.254 0 50 CCAA CCn1nc(C)cc1C(=O)NCCc1cc(O)nc(C)n1 222330428 KCQFXZAVEOYOAK-UHFFFAOYSA-N 289.339 0.988 0 50 CCAA Cc1c(C(=O)N2CC[C@@]3(CN(C)C(=O)CO3)C2)ccn1C 426544235 ANENPGXFAYJWIK-OAHLLOKOSA-N 291.351 0.407 0 50 CCAA COCCN(CC(=O)O)C(=O)[C@@H](C)CN1CCCC1 426396043 XUDWZTLVSUQDOV-NSHDSACASA-N 272.345 0.278 0 50 CCAA Cn1ncc(Cl)c1C(=O)N1C[C@@H]2CCCN[C@@H]2C1 97632159 PSSKGBWBCRDOJQ-WCBMZHEXSA-N 268.748 0.898 0 50 CCAA Cc1nc2c(NCCN(C)S(C)(=O)=O)ncnc2o1 91650682 WJLOFAZFTQYLMI-UHFFFAOYSA-N 285.329 0.230 0 50 CCAA CC(C)Cc1cc(C(=O)NCC(=O)NC2CC2)n(C)n1 91625177 WSYAUSJYRINSBK-UHFFFAOYSA-N 278.356 0.627 0 50 CCAA O=C(NCCN1CCCC1)[C@@H]1CCCCn2nnnc21 97638061 KOURREFFXYCGPC-LLVKDONJSA-N 278.360 0.153 0 50 CCAA OCC(CO)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 243893528 ARPCGDGQUCJNAE-BPLDGKMQSA-N 265.353 0.311 0 50 CCAA O[C@H]1C[C@@H]2[C@H]3[C@@H]4[C@@H]5[C@@H]([C@H](O)C[C@H]25)[C@@H]2C[C@H](O)[C@@H]([C@H]13)[C@@H]42 248070117 XQXSPPJNMCEGCY-WEELOBKNSA-N 262.349 0.483 0 50 CCAA CCc1ncc(CN(C)C(C)(C)C(=O)NC)cn1 244796009 RREISHDEPIDSGE-UHFFFAOYSA-N 250.346 0.995 0 50 CCAA COCCc1noc(CNC(=O)N2CCSCC2)n1 534653804 FPVVBOAIZSZXGC-UHFFFAOYSA-N 286.357 0.517 0 50 CCAA O=C(CCc1nc(O)n[nH]1)NCCCNc1cccnc1 1940194958 FKKQNYIXLIHXGS-UHFFFAOYSA-N 290.327 0.456 0 50 CCAA COCCc1noc(CNC(=O)[C@H]2CCCO2)n1 299800324 VOUHLHJJMMMPFL-MRVPVSSYSA-N 255.274 0.054 0 50 CCAA CC(=O)N1CCC(CNC(=O)c2csc(N)n2)CC1 299766213 DCGGMXQKFIOMEU-UHFFFAOYSA-N 282.369 0.714 0 50 CCAA Cc1cc(C)n(CCCC(=O)NCc2nc(N)n[nH]2)n1 828032456 XZGICBQDAHZENH-UHFFFAOYSA-N 277.332 0.297 0 50 CCAA Cc1cc(C(=O)NCCc2nc(C)cc(O)n2)nc(C)n1 825264455 MPTCGIFQWVXESK-UHFFFAOYSA-N 287.323 0.870 0 50 CCAA Cc1cnn([C@H](C)C(=O)NCCc2ncnn2C)c1 584893031 RFHDHQSYINUGDD-SNVBAGLBSA-N 262.317 0.240 0 50 CCAA Cc1cnn(CC(=O)N2CCOC[C@@H](CN(C)C)C2)c1 670439317 AEEAZPGTWZLVGK-ZDUSSCGKSA-N 280.372 0.228 0 50 CCAA CNC(=O)C[C@@H]1CCN(CCCn2cccn2)C1 670444011 ULBVTWNISPOOET-LBPRGKRZSA-N 250.346 0.731 0 50 CCAA Cc1cnc(CN2CC[C@@H](CN(C)C)[C@H](O)C2)[nH]1 584886614 ANQRXDNCCXFMOX-NWDGAFQWSA-N 252.362 0.463 0 50 CCAA Cc1nccnc1CCNC(=O)N1C[C@@H](N)C2(CCC2)C1 1553490449 XKCMJHXIUWEQBM-CYBMUJFWSA-N 289.383 0.850 0 50 CCAA Cc1ccn2ncc(C(=O)N[C@H]3CC[S@](=O)C3)c2n1 408306052 OSYBLPGOCCYPMT-UGZDLDLSSA-N 278.337 0.289 0 50 CCAA O=C(NC[C@@H]1CCc2nccn2C1)c1cnn2cccnc12 275369776 PDYDOTHVLXDIRM-NSHDSACASA-N 296.334 0.918 0 50 CCAA Cn1c(S)nnc1CCNC(=O)C1[C@H]2CCC[C@H]12 170651892 XHQRUVRNJLPRBC-YUMQZZPRSA-N 266.370 0.809 0 50 CCAA O=C(NCc1nn[nH]n1)c1ccn(C2CCCC2)n1 675637633 SZBUROBDSRXMKH-UHFFFAOYSA-N 261.289 0.441 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)NCCc1ccc[nH]1 644412538 JXQRFWMWSSIMGK-LBPRGKRZSA-N 279.340 0.047 0 50 CCAA CCN1C[C@H](CNC(=O)[C@H](CC(C)(C)C)NC)CC1=O 653251379 XEJWHBSNIAICBJ-RYUDHWBXSA-N 283.416 0.995 0 50 CCAA CC1=NNC(=O)[C@@H]1CCNC(=O)c1ccc(C(=O)O)cc1 570867174 SSFVZZURAPEURK-LLVKDONJSA-N 289.291 0.627 0 50 CCAA O=C(Nc1cnn[nH]1)[C@H]1CC(=O)N(Cc2ccco2)C1 789928433 MOYHUNUBTQWOHH-QMMMGPOBSA-N 275.268 0.385 0 50 CCAA COCC1(C)CCN(C(=O)[C@H]2NCc3ncncc32)CC1 1615616530 QZDPFGHLKVRRGX-ZDUSSCGKSA-N 290.367 0.896 0 50 CCAA CCN1CCC[C@@H]1CN(C)C1CCS(=O)(=O)CC1 1506420458 ICFWDQKPBINYRQ-CYBMUJFWSA-N 274.430 0.980 0 50 CCAA Cc1nc(CN(C)C(=O)c2cnc(N)nc2C)no1 223684502 ZVASXRWAUXTQLE-UHFFFAOYSA-N 262.273 0.331 0 50 CCAA CCN1CCC[C@H]1CN1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1529189289 KFFNWGFISQBBDO-ZQNQSHIBSA-N 268.401 0.534 0 50 CCAA C[C@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)c1ccnn1C 408426001 ILANNUFWZGQXCD-VWYCJHECSA-N 287.385 0.590 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2nc(C)ncc2Cl)C[C@@H]1O 219729001 KEDULBCKIZESIU-GWCFXTLKSA-N 299.758 0.786 0 50 CCAA CS(=O)(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615739392 IVQGBEUDTFKLPO-QWRGUYRKSA-N 256.327 0.188 0 50 CCAA CCCOCC(=O)N1CCC[C@](O)(Cn2ccnn2)C1 330526300 LUXFFXDSYMXFTC-CYBMUJFWSA-N 282.344 0.058 0 50 CCAA Cc1nnc(N2CCC[C@H](NC(=O)N(C)C)C2)nc1C 649553690 GBPJQHRRSHEHAZ-NSHDSACASA-N 278.360 0.728 0 50 CCAA COCCOC[C@@H]1CCN(C(=O)[C@](C)(O)C2CC2)C1 240412667 FNQVTLWPBPJPNB-BXUZGUMPSA-N 271.357 0.659 0 50 CCAA Cc1cc(=O)cc(O)n1CCNC(=O)c1ccncc1 1547206045 NAMGCNXWTBHJDA-UHFFFAOYSA-N 273.292 0.687 0 50 CCAA COc1ccc(C)nc1N1CC[C@H](CS(N)(=O)=O)C1 1857678640 IVQPDUKDWWCXLU-JTQLQIEISA-N 285.369 0.513 0 50 CCAA O=C(CC1CCCC1)N1C[C@H]2[C@H](C1)C2(CO)CO 1772708628 JPSGCNQRCYPSRV-RYUDHWBXSA-N 253.342 0.626 0 50 CCAA OCC1(CO)[C@@H]2CN(c3nc4ccccc4o3)C[C@H]21 1772813268 YZXZADAETBKEFG-NXEZZACHSA-N 260.293 0.865 0 50 CCAA COc1cccc2c1OC[C@H](NCCN1CCNC1=O)C2 15061531 UXGAYVOVJQSDAU-GFCCVEGCSA-N 291.351 0.614 0 50 CCAA COC[C@H](OC)[C@@H]1O[C@H](OC)[C@H](OC)[C@H]1OC 205249506 MWCGWFVDFLEGFY-MFDAYCCISA-N 250.291 0.049 0 50 CCAA Cc1cccnc1CC(=O)N[C@@H]1C[C@H]2CO[C@H](C)CN2C1 1857739889 XMBWVIBPEAFUMK-MCIONIFRSA-N 289.379 0.910 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2cnc(O)[nH]2)C[C@H]1O 1875242363 OUETYJWACBCBFJ-ZWNOBZJWSA-N 283.328 0.101 0 50 CCAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)o1 1236658 WZNUTYXPWKUFMM-JTQLQIEISA-N 252.270 0.363 0 50 CCAA in-vitro Nc1nnc(S(=O)(=O)CC(=O)Nc2ccccc2)s1 225683857 CNRBTOHOOZZSIG-UHFFFAOYSA-N 298.349 0.533 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1cccnc1 643949497 OOZLUHLLMXULEZ-OAHLLOKOSA-N 291.351 0.378 0 50 CCAA COC(=O)c1n[nH]cc1NC(=O)c1cccc(CO)c1 487451918 OIKMOKKBRSHANN-UHFFFAOYSA-N 275.264 0.941 0 50 CCAA NCCn1cc(-c2cc(N)ccc2CCO)ccc1=O 904813484 SOABATAKJNUAHP-UHFFFAOYSA-N 273.336 0.591 0 50 CCAA CCn1ncnc1CN1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704313470 NXRWXFCINLYGRL-UKRRQHHQSA-N 293.415 0.577 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)CCCc1cn[nH]c1)C2 1704325068 COQMAGHFOAUKLY-KGLIPLIRSA-N 292.383 0.521 0 50 CCAA Cc1nonc1COc1cccc(C(=O)NCCO)c1 853667728 AFKJVVCUIXOAPN-UHFFFAOYSA-N 277.280 0.679 0 50 CCAA CCN1CC[C@H](Nc2ccc3nc(C)nn3n2)C1=O 952962001 VLCPZIWKBPHBHZ-VIFPVBQESA-N 260.301 0.465 0 50 CCAA C[C@H](CN)C(=O)N1CCC(C2CCNCC2)CC1 1875277747 CGAVWFZYIZZRKV-LLVKDONJSA-N 253.390 0.819 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@@]1(C)CN(C(C)C)C1=O 1875297039 ADEMOIOSKKBMNK-AWEZNQCLSA-N 281.356 0.004 0 50 CCAA CC(=O)c1ccccc1NC(=O)Cn1c(C)noc1=O 1875391513 MFZHGFVNLCHYOM-UHFFFAOYSA-N 275.264 0.986 0 50 CCAA COc1c(F)cc(S(=O)(=O)NCCC(=O)O)cc1F 899546005 KAWUEPOSANVVBX-UHFFFAOYSA-N 295.263 0.726 0 50 CCAA C[C@@H]1CCCN(C(=O)Cc2cnn(C)c2)[C@H]1CN 156616760 PHPBHIHDZKUSKR-PWSUYJOCSA-N 250.346 0.548 0 50 CCAA O=C([C@H]1CC(F)(F)CN1)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 263184090 HBMPHXSZLOYNPM-RCZSTQMZSA-N 272.295 0.619 0 50 CCAA O=S(=O)(N[C@H]1COC[C@@H]1O)c1ccc(F)cc1Cl 323536566 YQOKMBDACYETKT-IUCAKERBSA-N 295.719 0.517 0 50 CCAA COc1ncccc1CN(C)[C@H]1CCN(S(C)(=O)=O)C1 428772479 MONDHELSXZGKRC-LBPRGKRZSA-N 299.396 0.556 0 50 CCAA CCc1nc(O)ccc1C(=O)NCCN1CCCOC1=O 2100547850 OXIQSDDZRPGQID-UHFFFAOYSA-N 293.323 0.922 0 50 CCAA O[C@@H]1COC[C@H]1CCNc1ncnc2cnccc12 2325789557 XQPRIYFWIQLODN-BXKDBHETSA-N 260.297 0.834 0 50 CCAA CCN1Cc2nnc(CO)n2[C@@H](CC(C)C)C1=O 2356154210 MSODREPHWFVAIL-VIFPVBQESA-N 252.318 0.720 0 50 CCAA CNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 4837776 BUKOFYPQGPXDIN-QMMMGPOBSA-N 274.317 0.726 0 50 CCAA CC(=O)c1ccc(NS(=O)(=O)N2CCOCC2)cc1 8714292 ZNQIBDIAZUAEQK-UHFFFAOYSA-N 284.337 0.878 0 50 CCAA Nc1nnc(SCC(=O)N2CCCCO2)s1 20254552 KUDHRKVNMADBEQ-UHFFFAOYSA-N 260.344 0.766 0 50 CCAA NC(=O)CC1(CNC(=O)c2ccc(O)cc2O)CC1 421612029 SISNBGYDWCLHHN-UHFFFAOYSA-N 264.281 0.483 0 50 CCAA COC(=O)c1cc(C(=O)N(C)CCN(C)C2CC2)cn1C 347070154 NBUSXRNDSSOZRB-UHFFFAOYSA-N 293.367 0.978 0 50 CCAA CC[C@@H](NCCS(=O)(=O)NC)C(=O)Nc1ccccc1 65374518 IMASAEWWVCESPK-GFCCVEGCSA-N 299.396 0.543 0 50 CCAA Cc1cnc(NCCc2nnc(N)s2)nc1N(C)C 65394518 VWPAPBOJBFZQHY-UHFFFAOYSA-N 279.373 0.939 0 50 CCAA COc1ccccc1OCc1cc(C(=O)NCCO)n[nH]1 67712908 XKXFRGIIYUHTKQ-UHFFFAOYSA-N 291.307 0.719 0 50 CCAA OCC1=C(CO)CC2=C(C1)CC(CO)=C(CO)C2 38777417 UDLVOHANDYRLDO-UHFFFAOYSA-N 252.310 0.433 0 50 CCAA CCC[C@@H](CC)[S@@](=O)CCCS(N)(=O)=O 359404712 FSSVPMMGBPQKMO-OTYXRUKQSA-N 255.405 0.992 0 50 CCAA NCC[C@@H]1CN(c2cnn(CC3CC3)c(=O)c2)CCO1 72144847 KQNUXVGQORCJII-CYBMUJFWSA-N 278.356 0.207 0 50 CCAA CN1CCN(Cc2ccc(N(C)C)nc2)CCC1=O 215249076 IXIJARLDRHHKKW-UHFFFAOYSA-N 262.357 0.812 0 50 CCAA O=C(O)C(=O)N1CC[C@H](n2cc3ccccc3n2)C1 368650040 MSUSBAKIXAWTKX-JTQLQIEISA-N 259.265 0.894 0 50 CCAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1cn(C)c(Cl)n1 237505643 SQKUTOKAQRDMCQ-SFYZADRCSA-N 292.792 0.574 0 50 CCAA Cc1nn(C)c2nc(-c3cccnc3)nc(NCC(N)=O)c12 72434831 SCXSPAXVBCYJIT-UHFFFAOYSA-N 297.322 0.631 0 50 CCAA CC1(C)CN(c2nccn3cnnc23)C[C@@]2(CCOC2)O1 373669281 BJEWTAUZMONKEZ-CQSZACIVSA-N 289.339 0.899 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)NCC1=CCNCC1 263160818 YQPXKYKJRCDBBA-WCQYABFASA-N 268.357 0.606 0 50 CCAA Cc1cc(S(C)(=O)=O)cc(C(=O)N[C@H](C)C(=O)O)c1C 263364666 VQBZWBMZSZQZKF-SECBINFHSA-N 299.348 0.910 0 50 CCAA COCCc1noc(CN(C)C(=O)[C@H](O)C(C)C)n1 220033504 KCAZXMDWIYSKIX-LLVKDONJSA-N 271.317 0.234 0 50 CCAA Cn1c(-c2ccccc2)cnc1S(=O)(=O)C[C@@H](O)CO 178558522 VRSOXSCRQCYHGZ-NSHDSACASA-N 296.348 0.214 0 50 CCAA CN(C)Cc1nc(CC2CC2)nn1[C@@H]1CCS(=O)(=O)C1 95497887 LWRAJQCFCJVIMZ-LLVKDONJSA-N 298.412 0.652 0 50 CCAA CCN1C[C@H](c2nc(CCOC)no2)CCC1=O 96152533 QGTVMTATAWVESG-SECBINFHSA-N 253.302 0.984 0 50 CCAA COCc1cc(N[C@@H]2CCC(=O)N(C)C2)ncn1 95364717 RTZMMTCZMUADCH-SECBINFHSA-N 250.302 0.656 0 50 CCAA COCCN1C[C@H](Cc2cc(CO)ccn2)CC1=O 244723531 MDIPFELVLAVLQO-GFCCVEGCSA-N 264.325 0.611 0 50 CCAA O=C1C=C(Nc2ccc(Cn3cncn3)cc2)CN1 524733560 VRYKHYNXYCVPJU-UHFFFAOYSA-N 255.281 0.752 0 50 CCAA NC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H](N)C1 299753026 WNXVEPDCIPHBTA-SRVKXCTJSA-N 267.373 0.760 0 50 CCAA COCc1cc(CNC(=O)[C@@H](N)C(C)(C)C)n[nH]1 299779971 HSJKCPZBJXISPJ-SNVBAGLBSA-N 254.334 0.546 0 50 CCAA CN(C)c1nccnc1NCCN1CCC[C@H](CO)C1 828711229 SUJJZMGFVWNSFV-LBPRGKRZSA-N 279.388 0.659 0 50 CCAA CN(C)[C@H]1CN(C(=O)c2cccc3c2CCC3=O)C[C@@H]1O 823730217 YZEIFWGRJSTMTF-ZFWWWQNUSA-N 288.347 0.562 0 50 CCAA CN(C[C@@H]1CCCN(CCO)C1)C(=O)c1cncnc1 584893733 JEVQKPKWLNHDLZ-LBPRGKRZSA-N 278.356 0.253 0 50 CCAA CN(C)c1nccnc1NCCN1CCC[C@@H](CO)C1 828711228 SUJJZMGFVWNSFV-GFCCVEGCSA-N 279.388 0.659 0 50 CCAA COC[C@H]1CCCN1S(=O)(=O)N(C)CCC(C)(C)O 824370930 DKSYSAXFRXRVBT-LLVKDONJSA-N 294.417 0.435 0 50 CCAA O=C(Nc1cccc(F)c1)N[C@H](CO)CN1CCOCC1 585136975 ASPQRZPDGUMKHK-ZDUSSCGKSA-N 297.330 0.640 0 50 CCAA CN(CC[C@H]1CCS(=O)(=O)C1)CC1(CO)CCC1 828685868 HOJANTGRXYHVAN-LBPRGKRZSA-N 275.414 0.906 0 50 CCAA Cc1nc(-c2ccc(C(=O)N3CC[C@@H](N)C3)cc2)n(C)n1 584895197 WFBGDYLIAGPKCD-CYBMUJFWSA-N 285.351 0.964 0 50 CCAA O=C1C[C@H](NC(=O)CN2CCCC2=O)c2ccccc2N1 584904127 VYJLQVHYEJSYBV-LBPRGKRZSA-N 287.319 0.809 0 50 CCAA C[C@H](Cn1cccn1)NCC1(N(C)C)CCN(C)CC1 584888222 PIVCDMUIVPMQIW-CQSZACIVSA-N 279.432 0.887 0 50 CCAA CCc1csc(CNC(=O)Cn2cnnn2)n1 670437226 JOROCAUTLYNXQH-UHFFFAOYSA-N 252.303 0.008 0 50 CCAA CC[C@H](C)CCNC(=O)C(=O)NCC(=O)N(CC)CC 1330426757 UXTPDWSPDKSTDM-NSHDSACASA-N 285.388 0.523 0 50 CCAA CCOCC(=O)N1CCC[C@@H]1CNC(=O)c1ccns1 1432907291 FOXDDODHPVWBFV-SNVBAGLBSA-N 297.380 0.900 0 50 CCAA COc1cc2c(cc1CNCc1nc(O)n[nH]1)OCO2 952861869 LKCJNNIBISMZEW-UHFFFAOYSA-N 278.268 0.537 0 50 CCAA CCc1ncc(S(=O)(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)[nH]1 1565511560 CHSGHXIHLBBLRY-IUCAKERBSA-N 298.368 0.071 0 50 CCAA COc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2)cc1F 276593313 DVKSJBRFVCYQRU-MWLCHTKSSA-N 268.288 0.173 0 50 CCAA CN(CC(N)=O)C[C@@H]1CN(C(=O)c2cccs2)CCO1 276675574 ZLCFBFBSGBBUDB-SNVBAGLBSA-N 297.380 0.006 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cc[nH]c(=N)c2)C1 643812409 MWPJESXYJZVSGY-HNNXBMFYSA-N 292.383 0.299 0 50 CCAA Cn1cc(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)nn1 653329004 PYCLFQROOZPOQO-WDEREUQCSA-N 286.291 0.858 0 50 CCAA CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCc2nnn(C)c2C1 1649810449 MZIXCOPIGYDTLD-SECBINFHSA-N 274.328 0.302 0 50 CCAA CN1CCO[C@@H](CNCc2cccc3c2OCCO3)C1 112838755 WEFXNVNQYCUIBT-ZDUSSCGKSA-N 278.352 0.878 0 50 CCAA CCn1ncnc1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529184710 DZUALHSHNSIHDX-DGCLKSJQSA-N 288.355 0.123 0 50 CCAA COc1cc(O)ncc1C(=O)N[C@@H]1C[C@@H](N)C12CCC2 1615554489 LJFMMXUPILMZAW-GHMZBOCLSA-N 277.324 0.796 0 50 CCAA CO[C@]1(C)CCCN(C(=O)[C@H](C)NC(N)=O)CC1 357796091 GTGJDVLQKCUMFK-JOYOIKCWSA-N 257.334 0.461 0 50 CCAA COc1cc(F)ccc1CN1C[C@H]2[C@@H](C1)C2(CO)CO 1772807508 OHXWLUFBCBXNMC-BETUJISGSA-N 281.327 0.867 0 50 CCAA CN1C(C(=O)O)=CC(c2ccc(F)cc2)=NS1(=O)=O 12847733 MZAKUDDHJPSVCL-UHFFFAOYSA-N 284.268 0.774 0 50 CCAA NC(=O)/C=C\C(=O)Nc1ccc(N2CCOCC2)cc1 15007543 HZFHGGKXLWIYPP-WAYWQWQTSA-N 275.308 0.503 0 50 CCAA O=C(NCCN1CCOCC1)c1ccc(F)cc1 19535669 NOMMINDFYOPRPU-UHFFFAOYSA-N 252.289 0.888 0 50 CCAA COc1cc(CNC(=O)c2cn[nH]n2)cc(OC)c1 206653300 MDZQMUSINXVYHI-UHFFFAOYSA-N 262.269 0.752 0 50 CCAA Cc1nnc(CCN2C(=O)C[C@H]3NCC[C@H]32)s1 1857705578 NFJYZHDFWMYLOY-RKDXNWHRSA-N 252.343 0.352 0 50 CCAA CO[C@@H]1CCN(C(=O)c2csc(-c3nc[nH]n3)n2)C1 331504103 DEOSDPRUMXGBQN-SSDOTTSWSA-N 279.325 0.789 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cc(C)ncn1 643829994 UQLAWDRCTLXZCT-CQSZACIVSA-N 278.356 0.512 0 50 CCAA COC(=O)Cc1occc1C(=O)N[C@@H]1CCC(=O)N(C)C1 339186266 FLCPMJWBIRQTLQ-SECBINFHSA-N 294.307 0.346 0 50 CCAA Nc1ncnc(N2CCC(N3CCNC3=O)CC2)c1Cl 253418131 LDYPRWYIVRSWAI-UHFFFAOYSA-N 296.762 0.706 0 50 CCAA O=C(N[C@H](Cc1ccncc1)C(=O)O)[C@@H]1CCCO1 257721009 VMVFUKHRNGXFER-MNOVXSKESA-N 264.281 0.373 0 50 CCAA C[C@@]1(C(=O)Nc2nncn2C2CC2)CCCNC1=O 375818653 JEPAHQUIMPSYDC-GFCCVEGCSA-N 263.301 0.468 0 50 CCAA O=C(O)COCC(=O)N1CCN(c2cccc(F)c2)CC1 902486156 WSSGDTGFHQCZNG-UHFFFAOYSA-N 296.298 0.576 0 50 CCAA N[C@@]1(CO)CCCN(Cc2c[nH]nc2-c2cccnc2)C1 904402204 VIFXXTXBOHFZTR-HNNXBMFYSA-N 287.367 0.757 0 50 CCAA C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H](N)CC(C)(C)C 1875291368 WSUXOHIDPRWEPL-UWVGGRQHSA-N 278.418 0.689 0 50 CCAA C[C@H]1CN(C(=O)N2C[C@@H]3C[C@H]3C2)CCS1(=O)=O 1875272596 QBZOFNBUODBOAN-GUBZILKMSA-N 258.343 0.177 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCC(=O)OC(C)C)CC1 1875370078 AXZNHOHLFXJJNV-UHFFFAOYSA-N 282.340 0.479 0 50 CCAA C=CC(=O)N1CC(C(=O)N2NC(=O)C[C@@H]2c2ccccc2)C1 1875387588 OXERMLAALBBTAO-CYBMUJFWSA-N 299.330 0.636 0 50 CCAA O=C(N[C@H]1C[C@@H](n2cccn2)C1)C1=CNC2=NCCC2=C1 1875321699 RKYQIZQJINOFNP-BETUJISGSA-N 283.335 0.919 0 50 CCAA C[C@H](O)[C@@H](NC(=O)C1=C2CCN=C2NC=C1)C(F)(F)F 1875319880 WXWYWRWCRYZNRF-IMTBSYHQSA-N 289.257 0.630 0 50 CCAA O=C(Nc1ccccn1)NC1(c2nn[nH]n2)CCC1 1775986342 DBJSVVNOYNDBGO-UHFFFAOYSA-N 259.273 0.796 0 50 CCAA CCN(CC(=O)OC)C(=O)c1cc2ccncc2c(O)n1 1775999657 UPKDZLIKUCDOAM-UHFFFAOYSA-N 289.291 0.971 0 50 CCAA O=c1c2nnc3ncnn3c2ccn1-c1cccc(O)c1 72403024 NUHAOHFCUYGFFU-UHFFFAOYSA-N 280.247 0.529 0 50 CCAA Cc1cnc(CN2C[C@@H](CO)OC(C)(C)C2)cn1 336783410 MNCMHGVNRFJSAQ-LBPRGKRZSA-N 251.330 0.757 0 50 CCAA COC(=O)N1CCCc2cc(S(N)(=O)=O)ccc21 4745347 UYDUDOFGQKPDAL-UHFFFAOYSA-N 270.310 0.853 0 50 CCAA O=C1C[C@@H](CC(=O)Nc2cnn(C3CC3)c2)C(=O)N1 2325786388 HPEOFLSUWFSCCQ-SSDOTTSWSA-N 262.269 0.209 0 50 CCAA CCOc1ccccc1NC(=O)C[C@H]1NCCNC1=O 544989 FEAVQOFMKJXHBZ-LLVKDONJSA-N 277.324 0.502 0 50 CCAA N=C1NC(=O)[C@H](CC(=O)Nc2ccc(O)cc2)S1 4276265 UIFOMQGUEQCBSR-QMMMGPOBSA-N 265.294 0.887 0 50 CCAA C[C@@H](C(=O)NCCN(C)C)N1C(=O)c2ccccc2C1=O 4320867 ARAPWEBGKAJFBP-JTQLQIEISA-N 289.335 0.349 0 50 CCAA CCN(CC)S(=O)(=O)c1ccc(C(N)=O)cc1 7781141 MVDUHDYZICQNCB-UHFFFAOYSA-N 256.327 0.816 0 50 CCAA Cc1cc(=O)[nH]c(SCC(=O)N2CCOCC2)n1 9446021 OKXRNTKRBMDWKP-UHFFFAOYSA-N 269.326 0.029 0 50 CCAA CCN(CC)CCNC(=O)C(=O)NCc1ccccc1 9855239 JSJOJFUIHFMKNT-UHFFFAOYSA-N 277.368 0.761 0 50 CCAA CCN(Cc1noc(CC(C)C)n1)C(=O)Cn1cnnn1 55227729 AOSPXKKRWVDSGZ-UHFFFAOYSA-N 293.331 0.303 0 50 CCAA O=C(Cc1cccnc1)NCCNC(=O)C(F)(F)F 67967618 CEWULKSVSXPCMM-UHFFFAOYSA-N 275.230 0.419 0 50 CCAA CCc1c(C)nn(CCN2C[C@@H](C(=O)O)CC2=O)c1C 65403840 BLCPHLNIJAGJLJ-NSHDSACASA-N 279.340 0.995 0 50 CCAA CCNC(=O)CN(CC)[C@H]1CCN(C2CCOCC2)C1=O 363146992 LNWFLDIGSVXVOJ-ZDUSSCGKSA-N 297.399 0.224 0 50 CCAA CCOc1ccc(S(=O)(=O)N2CCNCC2)cc1 34781235 QJNBKRSWEFTWPS-UHFFFAOYSA-N 270.354 0.679 0 50 CCAA O=C(Nc1nnn[nH]1)c1cnc2c(F)cccc2c1O 218122672 FMQJQTGUZYLBCG-UHFFFAOYSA-N 274.215 0.845 0 50 CCAA Cc1noc(C)c1-c1nc2c([nH]1)CCN[C@@H]2C(=O)O 72407778 CDLQMHKMEGURQR-JTQLQIEISA-N 262.269 0.953 0 50 CCAA CC[C@H]1C(=O)N(CC)CCN1C(=O)Cn1ccccc1=O 331179321 QYNAMOPXKQEWKT-LBPRGKRZSA-N 291.351 0.318 0 50 CCAA O=S(=O)(CCCN1CCOCC1)NC1CCC1 331430770 NCEFDMKXZUREBZ-UHFFFAOYSA-N 262.375 0.181 0 50 CCAA O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1cn[nH]c1 215783309 OGTLIUMOPALUIX-LLVKDONJSA-N 272.312 0.599 0 50 CCAA Cc1ccc(F)c(OCC(=O)N2CCO[C@H](C(=O)O)C2)c1 262067478 ICRQIYWKQUXVDW-LBPRGKRZSA-N 297.282 0.825 0 50 CCAA O=C(NCCN1C(=O)CCCC1=O)[C@@H]1C[C@H]1C1CC1 333064075 SXJOAXMFPGKOKK-WDEREUQCSA-N 264.325 0.688 0 50 CCAA CC(C)N1CC(=O)N([C@@H]2CCN(c3cnn(C)c3)C2)C1=O 372910964 VNKAIPUSKLCWGY-LLVKDONJSA-N 291.355 0.671 0 50 CCAA O=C(O)[C@H]1C[C@@H]1C(=O)NCCCOC1CCOCC1 262366080 FDNBLHUKLPFDJY-QWRGUYRKSA-N 271.313 0.409 0 50 CCAA C[C@](O)(CC(=O)N1CC(n2ccnn2)C1)C1CC1 374785733 WUVVXXYPRDNPPX-LBPRGKRZSA-N 250.302 0.213 0 50 CCAA CCn1c(N)nc2cc(C(=O)N3CCCOCC3)cnc21 77505899 FHPBMCXEUXSMPA-UHFFFAOYSA-N 289.339 0.896 0 50 CCAA CCOC(=O)CCNC(=O)c1ccc(OCC(N)=O)cc1 44570771 JVLKRYYAYMQPKD-UHFFFAOYSA-N 294.307 0.234 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2nc3ccccc3o2)C1 284526203 MFCILQMSILVNFH-WPRPVWTQSA-N 261.281 0.907 0 50 CCAA Cc1nc(C2CCN(C(=O)[C@H]3CCCO3)CC2)cc(=O)[nH]1 82166648 XNPHWGCBAUWOMS-CYBMUJFWSA-N 291.351 0.963 0 50 CCAA Cc1cc(=O)c(C(=O)NCCC(=O)N2CCCC2)cn1C 426550696 XUGBOMPAUVJEBC-UHFFFAOYSA-N 291.351 0.436 0 50 CCAA C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(C)C2=O)c2nccn21 527989744 GFAYGMUAZNQJCW-VWYCJHECSA-N 291.355 0.809 0 50 CCAA Cc1nn(CC(=O)NCCc2noc(CO)n2)cc1Cl 221372670 IGYCQZGGCWSLBJ-UHFFFAOYSA-N 299.718 0.079 0 50 CCAA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OC)cn1 223484782 DZBCWIZLALESRI-GHMZBOCLSA-N 266.297 0.624 0 50 CCAA CCO[C@@H](C)C(=O)NCCn1c(C)cc(C)nc1=O 426667679 WLLKBNITUQPNCW-NSHDSACASA-N 267.329 0.401 0 50 CCAA C[C@H](CCC(=O)NCCCc1nn[nH]n1)N1CCCC1 426526767 CJXVIMLWRBLBJC-LLVKDONJSA-N 280.376 0.513 0 50 CCAA CCc1cnc(N)nc1N(C)CC1CCN(CCO)CC1 95353789 YJEWQKAOAZMMKG-UHFFFAOYSA-N 293.415 0.762 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(CC2CC2)C1 335591455 NMPUGJGQWWVKSD-JQWIXIFHSA-N 266.341 0.840 0 50 CCAA CSCCc1nc(C)nn1[C@@H]1CCS(=O)(=O)C1 95513082 HDYWSDKDPWXWRN-SECBINFHSA-N 275.399 0.852 0 50 CCAA Cc1nc(CNC(=O)[C@@H]2CCCN(C(C)C)C2)cc(=O)[nH]1 95501764 JDNGYXCXUOWITC-GFCCVEGCSA-N 292.383 0.815 0 50 CCAA Nc1nc(NCCCn2ccnn2)cc([C@H]2C[C@@H](O)C2)n1 244787702 QCAIFJUBNQCQGV-AOOOYVTPSA-N 289.343 0.391 0 50 CCAA O=C(COC[C@@H]1CCCO1)NCc1noc(C2CC2)n1 244678697 IIMRFDVFZWTRRL-JTQLQIEISA-N 281.312 0.759 0 50 CCAA N[C@@]12[C@@H]3[C@H]1[C@@H]1[C@@H]4[C@@H]([C@@H]42)[C@@]3(Br)C12OCCO2 252428206 ULOACUZXAWMIQS-BNGJREEGSA-N 270.126 0.326 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2cccc3c2OCO3)CCO1 299750736 OFUMYEYGZWQGHQ-SNVBAGLBSA-N 279.248 0.341 0 50 CCAA COC1(OC)C=NN=C2NC(c3ccccc3)=NN21 252506969 WDWMYXOAANKJJG-UHFFFAOYSA-N 259.269 0.555 0 50 CCAA COC(=O)c1cn([C@@H]2CSC[C@@H]2O)cc2c(=O)[nH]nc1-2 263587293 FHIFLDWWXFNPEP-BDAKNGLRSA-N 295.320 0.112 0 50 CCAA O=C(CN1CCC[C@H](O)C1)NCCc1nc(C2CC2)no1 584892715 FXIMGAQJMAIMJD-NSHDSACASA-N 294.355 0.062 0 50 CCAA O=C([C@H]1C=CCN1)N1CCN(c2ncccc2Cl)CC1 952977806 CDQVXAIRDWMKHG-GFCCVEGCSA-N 292.770 0.912 0 50 CCAA C[C@H](CNC(=O)[C@H]1C[C@H](O)CN1)Oc1ccccc1Cl 269210085 AFSZLTVWMMTXOQ-JFGNBEQYSA-N 298.770 0.946 0 50 CCAA CNC(=O)[C@H]1CCCN(C(=O)C2(COC)CC2)C1 408146449 OUIWNLMBGSVDRD-JTQLQIEISA-N 254.330 0.398 0 50 CCAA O=C1NCCCC[C@@H]1N1C(=O)C2(CCCC2)NC1=S 408522151 DXERZPYNLSEONN-VIFPVBQESA-N 281.381 0.685 0 50 CCAA Cn1cc(NC(=O)OCc2ccccc2)c(=O)n(C)c1=O 85477265 YVIIFANSLALIDM-UHFFFAOYSA-N 289.291 0.833 0 50 CCAA in-vitro C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)S(=O)(=O)CCO)C1 86996853 GGYXUAJEDOSQCK-OUAUKWLOSA-N 277.386 0.287 0 50 CCAA CCCc1cc(N2CCCNC(=O)[C@@H]2C)n2ncnc2n1 170606338 BKPMPJICUIUYLU-JTQLQIEISA-N 288.355 0.792 0 50 CCAA CON1CCC(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 631753204 GWPLSJXKNMZTPF-UONOGXRCSA-N 298.383 0.666 0 50 CCAA CCS(=O)(=O)N1CC(CNC(=O)c2cccs2)C1 188203888 YYOVGUOLIUTFTF-UHFFFAOYSA-N 288.394 0.759 0 50 CCAA CC(=O)N1CC(C(=O)Nc2ncnc3[nH]c(C)c(C)c23)C1 191220139 PLBRKOGAELHNBN-UHFFFAOYSA-N 287.323 0.992 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@H]1CCCC[C@@H]1O 907550372 MMJIRLGIMADHQR-QWRGUYRKSA-N 254.330 0.441 0 50 CCAA O=C(C[C@@H]1CNCCO1)N1CCC(N2CCCC2)CC1 91309790 OQMDLLMVLPRZIJ-CQSZACIVSA-N 281.400 0.452 0 50 CCAA CN(Cc1ccco1)C(=O)[C@@H]1CNC[C@H]1c1cn(C)cn1 1614996062 XWEMUYDETOKPFC-CHWSQXEVSA-N 288.351 0.975 0 50 CCAA Cc1nonc1CC(=O)N[C@@H](C)[C@H]1COC(C)(C)O1 1615606197 UWDHWKKUVKTGLR-WCBMZHEXSA-N 269.301 0.577 0 50 CCAA Cc1ccc(C(=O)N2CCC(O)(CN(C)C)CC2)c(O)n1 1506423682 HELNCLZFYHPQOS-UHFFFAOYSA-N 293.367 0.624 0 50 CCAA COc1ccc(C)nc1N1C[C@@H]2OCCN(C)[C@H]2C1 1857677904 DTQJRPDDPWVCRQ-AAEUAGOBSA-N 263.341 0.918 0 50 CCAA CCOC[C@H](O)CN1CCN(c2cccc(O)c2)CC1 113499573 GECCFFMNJFESMJ-OAHLLOKOSA-N 280.368 0.912 0 50 CCAA COC(=O)c1cc2c(c(C(=O)OC)c1)C[C@@H](O)O2 204331268 ZXPCVOXTVBVAIK-JTQLQIEISA-N 252.222 0.513 0 50 CCAA Cc1nnc(CN2C[C@@H](F)C[C@H]2CO)n1C1CC1 408047307 PKGLMBNVVVRHEZ-ONGXEEELSA-N 254.309 0.826 0 50 CCAA CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H](Cn2cncn2)C1 236679452 MCDRLCPGWSRBIW-VXGBXAGGSA-N 279.388 0.890 0 50 CCAA C[C@](O)(CNCc1cc2n(n1)CCCO2)C(F)F 1120515477 WVVWQYXBCCCPRK-NSHDSACASA-N 261.272 0.771 0 50 CCAA Cc1nccc(N2CCN(c3cnccn3)CC2)n1 266414239 RAHDGXVQMUAZDR-UHFFFAOYSA-N 256.313 0.902 0 50 CCAA O=C(CN1CCOC1=O)NCc1[nH]nc2ncccc12 1775984437 UKEKRJBDLMVTRG-UHFFFAOYSA-N 275.268 0.026 0 50 CCAA Cc1ccccc1CN1CCN2C(=O)[C@H](C)NC(=O)[C@H]2C1 14541322 LIGPDYZMYYTMOV-GXTWGEPZSA-N 287.363 0.526 0 50 CCAA Cc1cccc(CN2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)c1 14732171 FAWPXVYGEYPEBS-TZMCWYRMSA-N 287.363 0.526 0 50 CCAA Cc1nn(-c2nn[nH]n2)c(C)c1NC(=O)C1CCOCC1 1857717837 AUBYDDNTUULUFB-UHFFFAOYSA-N 291.315 0.367 0 50 CCAA Cc1cc(NC(=O)CN2CCC[C@H](C)[C@@H]2C(=O)O)n(C)n1 424265855 IMQYYCGBHPIRME-TVQRCGJNSA-N 294.355 0.852 0 50 CCAA CCCc1cc(C(=O)Nc2cnn(CC(=O)O)c2)n[nH]1 647745706 MNFFMHCLRDNPTM-UHFFFAOYSA-N 277.284 0.896 0 50 CCAA CN1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 19790683 YPORIHHIIUWXLW-LBPRGKRZSA-N 294.351 0.402 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(Cc1cnc(N(C)C)nc1)C2 1704340253 RLLCGOZNYIOXRJ-KBPBESRZSA-N 291.399 0.305 0 50 CCAA CC(C)(CO)ONC(=O)[C@@H]1CCCN1c1ncccn1 823302946 UQCNOFPHIQATLH-JTQLQIEISA-N 280.328 0.264 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@@H]2C[C@H]1CO2 1875268772 FXLFPNYYMVDYBV-IUCAKERBSA-N 261.281 0.673 0 50 CCAA Cc1cc(NC(=O)C2CCOCC2)n(CC(=O)O)n1 1875286524 WXEWSZGXWZNKOL-UHFFFAOYSA-N 267.285 0.641 0 50 CCAA COCc1cc(C(=O)N[C@H]2CCOC23CCOCC3)no1 890438766 MKNQTEJNYYCJQV-LBPRGKRZSA-N 296.323 0.889 0 50 CCAA O=C(O)CCNC(=O)c1cccc(-n2ccnc2)n1 1775998551 YQQGKYCJEWBIBC-UHFFFAOYSA-N 260.253 0.472 0 50 CCAA C[C@@H]1CO[C@@H](CO)CN1C(=O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 253618292 VFUGLSXGBAAZCJ-DHGFIAHBSA-N 265.353 0.887 0 50 CCAA COc1cc(NCCS(=O)(=O)N2CCCC2)ncn1 65492802 VVVZSTRMXRCLAZ-UHFFFAOYSA-N 286.357 0.323 0 50 CCAA N=c1[nH]c2ncnc-2c(NCCN2CCCCC2=O)[nH]1 405431725 KQZMFSBDJXAEBW-UHFFFAOYSA-N 275.316 0.141 0 50 CCAA CCc1occc1C(=O)N1CCC(O)(C(N)=O)CC1 311671350 YPMJETZCFVQFRI-UHFFFAOYSA-N 266.297 0.294 0 50 CCAA CCCOCC(=O)N1CCC[C@@]1(COC)C(=O)O 643849731 FBNSTXCHVLQVOU-GFCCVEGCSA-N 259.302 0.505 0 50 CCAA CN(C)C[C@@]1(O)CCN(c2ncc(Cl)cn2)C1 713638527 KJHCPELTVQSZEL-NSHDSACASA-N 256.737 0.633 0 50 CCAA CN(Cc1ccco1)C(=O)Cn1cc(S(C)(=O)=O)cn1 901601112 NASBBLZSAPXJAY-UHFFFAOYSA-N 297.336 0.538 0 50 CCAA Fc1ccccc1Nc1nc2nonc2n2nnnc12 34731 JEUKHYMTVQYASQ-UHFFFAOYSA-N 272.203 0.938 0 50 CCAA O=C(c1cnsc1)N1CCNC(=O)C12CCC2 2325784792 JTRFPNZNJZSPRA-UHFFFAOYSA-N 251.311 0.638 0 50 CCAA O=C(NCCc1nn[nH]n1)[C@@H]1SCCc2sccc21 2325807020 UUUCUZRXKGBNHH-SNVBAGLBSA-N 295.393 0.951 0 50 CCAA O=C1CC[C@H](NC(=O)c2ccc3ncoc3c2)C(=O)N1 1857798214 VMQFZBAWCSKEGL-VIFPVBQESA-N 273.248 0.363 0 50 CCAA NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 270020 KNOANJDBMHJVOT-VIFPVBQESA-N 286.328 0.712 0 50 CCAA O=C(NCc1ccco1)C(=S)N1CCOCC1 1062273 LSUJORQEQXHPHK-UHFFFAOYSA-N 254.311 0.555 0 50 CCAA Cn1c(SCC(=O)NCCO)nc2ccccc2c1=O 2668815 FMVCZDDDIMVTJP-UHFFFAOYSA-N 293.348 0.134 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)Nc1ncccn1 6706462 FBNGJLLQRXHBFL-UHFFFAOYSA-N 253.287 0.319 0 50 CCAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)C1=NN(C)C(=O)CC1 20534228 XBWUNGUJVQRNKP-UHFFFAOYSA-N 289.339 0.854 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCC1CCCC1 67981862 WBIHJCXNZJKXAZ-NEPJUHHUSA-N 267.373 0.631 0 50 CCAA C[C@H](NS(=O)(=O)C1COC1)[C@H](O)Cc1ccccc1 330205527 DNLHGGPPRIFSCN-GXFFZTMASA-N 285.365 0.297 0 50 CCAA CCc1cc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)n[nH]1 328618375 DSEJOTMMDRWRCW-GFCCVEGCSA-N 288.355 0.824 0 50 CCAA COC[C@@H](C)C(=O)N1CCN(C)[C@H](c2nccn2C)C1 328644346 ZDJBEDOGVJQKIO-NEPJUHHUSA-N 280.372 0.518 0 50 CCAA O=C(NCc1nc(C(=O)O)cs1)c1cc[nH]c(=O)c1 236476428 XNELDVFPMYOFDG-UHFFFAOYSA-N 279.277 0.460 0 50 CCAA O=C(N[C@H]1[C@@H]2CNC[C@@H]21)N1CCc2ccnc(O)c2C1 333871992 USPIECKLJHHFBZ-IAZYJMLFSA-N 274.324 0.073 0 50 CCAA C[C@@H](NC(=O)c1cc2ccccc2n(C)c1=O)C(N)=O 216075538 LZGSPFRWGXNVPL-MRVPVSSYSA-N 273.292 0.142 0 50 CCAA O=C(c1ccn2nnnc2c1)N1CCC(c2ncc[nH]2)CC1 72481078 KDLURXSJGJCJPC-UHFFFAOYSA-N 297.322 0.867 0 50 CCAA CCc1ccccc1CC(=O)N1CCC[C@](O)(C(N)=O)C1 284821197 BZDRYYNTWRHOFY-MRXNPFEDSA-N 290.363 0.630 0 50 CCAA O=c1c2nnc3ccnn3c2ccn1CCc1cnc[nH]1 40388094 LBVNGDDPSZMKJS-UHFFFAOYSA-N 281.279 0.405 0 50 CCAA CCn1cc(Cl)c(C(=O)NCCn2ccnn2)n1 426420072 KEQSGNZABIMWCJ-UHFFFAOYSA-N 268.708 0.578 0 50 CCAA Cc1c(C(=O)NCCc2nc(C3CC3)no2)cnn1C 426395126 FWRBAVLGFGSSFX-UHFFFAOYSA-N 275.312 0.961 0 50 CCAA OCCOCCN1CCN(Cc2ccccc2)C[C@@H](O)C1 95507891 OAKNBBSDJKQBOD-INIZCTEOSA-N 294.395 0.174 0 50 CCAA CS(=O)(=O)CCN1CCn2nc([C@H](O)C3CC3)cc2C1 230577188 MBJRBOXOSWLCNX-CYBMUJFWSA-N 299.396 0.187 0 50 CCAA Cc1ccccc1[C@H](C(=O)NCC(=O)O)N(C)C 95528497 FYXVGNROOVYBKP-GFCCVEGCSA-N 250.298 0.799 0 50 CCAA CC[C@H](O)Cn1ncnc1-c1ccc(OCC(N)=O)cc1 96152797 RRVKMTSPHQFUAK-NSHDSACASA-N 290.323 0.580 0 50 CCAA O=C(CN1CCOCC1)NCC[C@H]1CCCOC1 529598144 JWVMTYJVVQOXAW-GFCCVEGCSA-N 256.346 0.252 0 50 CCAA Cc1noc(C)c1[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)O 299752989 WIYUDGWEZFXJFP-OIBJUYFYSA-N 282.296 0.707 0 50 CCAA COc1c(F)cccc1C(=O)NC[C@@H]1CCNC[C@H]1O 534589537 UONYKAHKKHLKKT-JOYOIKCWSA-N 282.315 0.535 0 50 CCAA COCCN(C)C(=O)NCc1nc(COC)no1 534582587 RRHBOLRZVQWFJX-UHFFFAOYSA-N 258.278 0.004 0 50 CCAA O=C(C[C@H]1CCOC1)N1CCC(CN2CCOCC2)CC1 364814274 CFRFKXUKTMVCOM-OAHLLOKOSA-N 296.411 0.984 0 50 CCAA Cc1nc[nH]c1C(=O)NCCN1CCC(CO)CC1 534661828 SLYBLWARLNJRKE-UHFFFAOYSA-N 266.345 0.152 0 50 CCAA Cc1nc(C(=O)NCCCn2ccnn2)cs1 825273274 OLLBDSULLZLFSB-UHFFFAOYSA-N 251.315 0.863 0 50 CCAA O=C(NCCN1CCC[C@H](CO)C1)c1cncc(O)c1 584886698 MPUMINXZSPNXBJ-NSHDSACASA-N 279.340 0.221 0 50 CCAA CCNC(=O)N1CCC(NC(=O)c2c(C)ncn2C)CC1 584900344 MZDPXEWPMDZWBH-UHFFFAOYSA-N 293.371 0.652 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCC[C@@](C)(O)C2)cn1C 584890563 YTJHVVCJNXLAKH-CQSZACIVSA-N 264.325 0.681 0 50 CCAA Cc1nc(C(=O)NC2CCS(=O)(=O)CC2)cs1 670473737 XKWKYTSDGKPJHQ-UHFFFAOYSA-N 274.367 0.759 0 50 CCAA Cc1cc(O)nc(N2CCN3CCOC[C@H]3C2)n1 1337833007 SCBNDUXMINEOAT-SNVBAGLBSA-N 250.302 0.011 0 50 CCAA Cn1cncc1[C@@H](N)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 958528221 OVJSIPKKDRUTID-BXUZGUMPSA-N 296.371 0.792 0 50 CCAA COC[C@H]1[C@@H](NC(=O)Cn2cnc(C)c2C)[C@H]2CCO[C@H]21 1565528804 SRYOPFVAAXFKIM-PAPYEOQZSA-N 293.367 0.666 0 50 CCAA COc1ncc(CN2CCO[C@H]3CCN(C)C[C@H]32)c(C)n1 408037462 DUWHWERHBNISEA-KGLIPLIRSA-N 292.383 0.699 0 50 CCAA C[C@H]1[C@@H](C)N(S(=O)(=O)c2cn(C)cn2)CCN1C 408082078 FYMBYPSQYCGJNJ-VHSXEESVSA-N 272.374 0.133 0 50 CCAA CC(C)C[C@@H](O)CNC(=O)Cn1cc(C2CC2)nn1 305064814 LKEUESIOVKQCNP-LLVKDONJSA-N 266.345 0.679 0 50 CCAA CCN1CCN(Cc2nnnn2C2CC2)C(C)(C)C1=O 408365140 HAMXUHHYCKOFJG-UHFFFAOYSA-N 278.360 0.451 0 50 CCAA C[C@@H]1CN(c2ncnc3c2nnn3C)C[C@H](C2CC2)O1 408523314 IQSSXBYTYFSFGF-PSASIEDQSA-N 274.328 0.762 0 50 CCAA CCN1C[C@@H](NC(=O)c2ccn(C(C)C)n2)CC1=O 408519790 DFWVHBBDZTWMPR-JTQLQIEISA-N 264.329 0.815 0 50 CCAA CCc1ccc2occ(C(=O)NC[C@H](O)C(N)=O)c2c1 408517812 VJNIVILKIRRTFG-NSHDSACASA-N 276.292 0.571 0 50 CCAA C[C@@H]1OCC[C@]12CN(C(=O)c1coc(C(N)=O)c1)CCO2 279963035 KOOQICNJKICYDR-XPTSAGLGSA-N 294.307 0.399 0 50 CCAA C[C@H](C(=O)O)C(=O)N=c1cc(C(F)(F)F)[nH][nH]1 584231346 OMVRKPFOBJFABU-VKHMYHEASA-N 251.164 0.510 0 50 CCAA C[C@@H]1CN(C(=O)Cn2nnc3ccccc32)CCN1 188409557 AQPNJTLSKUGFDJ-SNVBAGLBSA-N 259.313 0.252 0 50 CCAA CN(CC1CC(O)C1)[C@@H]1CCCN(c2cnn(C)c2)C1=O 190185687 MSWZCGKGEXIWBG-UXUKBGGZSA-N 292.383 0.618 0 50 CCAA COC(=O)[C@H]1CCN(Cc2ncnn2C)C[C@@H]1C 191860462 XFCGAZAHMUOQNC-UWVGGRQHSA-N 252.318 0.446 0 50 CCAA COc1ccc(S(=O)(=O)N2CCOC[C@@H]2C2CC2)cn1 195438118 XHOARDJRCPQGRU-GFCCVEGCSA-N 298.364 0.890 0 50 CCAA CNC[C@H]1CCCN(Cc2nccn2CCOC)C1 97743190 RIKMMRSUWXRSGK-CYBMUJFWSA-N 266.389 0.961 0 50 CCAA CN1CCC[C@H](C(=O)NS(=O)(=O)N2CCCCC2)C1 1615058773 WOXKLTSAEPLCEO-NSHDSACASA-N 289.401 0.175 0 50 CCAA C=C(Br)C(=O)NCCNC(=O)OC 1616040582 POZTZWZTNDJJMC-UHFFFAOYSA-N 251.080 0.367 0 50 CCAA CCN(Cc1nc(C(C)C)no1)C(=O)NCC(=O)O 1506396296 GIAREUQEKXNUPS-UHFFFAOYSA-N 270.289 0.809 0 50 CCAA CCn1ccnc1CN1CCC2(CC1)CC(=O)NCCO2 1857690257 YMKSCMHFUGVURP-UHFFFAOYSA-N 292.383 0.774 0 50 CCAA Cc1cccc(Cl)c1C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875246053 HAWMCOKLRGZOFP-FPQZTECRSA-N 297.738 0.905 0 50 CCAA CN1CC[C@@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1=O 138455136 NKUGCQPXGCQJJB-DGCLKSJQSA-N 290.319 0.797 0 50 CCAA Cc1cc(N2CCN(C[C@H](C)O)[C@H](C)C2)nc(N)n1 252506151 QUDNCGHELYKGNV-MNOVXSKESA-N 265.361 0.259 0 50 CCAA COc1ccccc1OC[C@@H](O)CN1CCOCC1 19973529 BPTSETPBOXPPTB-LBPRGKRZSA-N 267.325 0.767 0 50 CCAA CC(C)n1ccc(C(=O)Nc2ccn(CC(=O)O)n2)n1 262900668 BHOGDEIWVHPYAJ-UHFFFAOYSA-N 277.284 0.997 0 50 CCAA Cc1nc(O)nc(O)c1NC(=O)Cc1cn(C)nc1Cl 815770597 KMMULHYQRMDKPP-UHFFFAOYSA-N 297.702 0.764 0 50 CCAA CC(C)(c1nnn(CC[C@H]2CCCO2)n1)S(C)(=O)=O 901740595 DNULSCXBONWMGK-SECBINFHSA-N 288.373 0.522 0 50 CCAA CC(=O)N1CCO[C@H](C(=O)N2CCOc3ccncc32)C1 934249424 KJSHYKFEWYXFFQ-ZDUSSCGKSA-N 291.307 0.054 0 50 CCAA O=C(N[C@@H]1CC[C@H]1O)c1ccc(-c2cn[nH]c2)cn1 868966134 WCASPKFVMVNONY-ZYHUDNBSSA-N 258.281 0.725 0 50 CCAA O=C(N=c1[nH]ncs1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2CO 1875290726 AOSPXKNZNSZAIN-LURQLKTLSA-N 268.342 0.489 0 50 CCAA Cc1cc(CC(=O)N2CCC(=O)N3CCC[C@@H]32)on1 888165736 KRWDMICZDSPSMS-NSHDSACASA-N 263.297 0.706 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@@H]2C[C@H]1C[S@@]2=O 1772983852 DAPGLXOMCVSUSZ-FRUKKLPWSA-N 293.348 0.405 0 50 CCAA CC(C)O[C@@]1(CNc2nccn3nnnc23)CCOC1 895870436 ZQUXEJXFMMWREQ-GFCCVEGCSA-N 278.316 0.515 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cn(C)nc1C 643851654 OPTCZYZEUBEKTB-CYBMUJFWSA-N 281.312 0.434 0 50 CCAA O=C(O)[C@@H](CNS(=O)(=O)CC1CC1)C1CCOCC1 685940056 GIMNANQLKOJACU-NSHDSACASA-N 291.369 0.443 0 50 CCAA O=C(O)C[C@@H](NC(=O)[C@H]1CCCOC1)C(F)(F)F 829375031 VAHHLNJCPVHZPC-NKWVEPMBSA-N 269.219 0.935 0 50 CCAA O=S1(=O)C[C@H](O)[C@@H](Nc2ccccc2Cl)C1 1232220 NAQFNWLMABSPOE-UWVGGRQHSA-N 261.730 0.910 0 50 CCAA CCOC(=O)C1=C(CSCC(=O)O)NC(=O)N[C@H]1C 4207225 XTOJQZXQQAHAFH-LURJTMIESA-N 288.325 0.323 0 50 CCAA CC(C)(CO)[C@H](O)C(=O)NCc1ccc(C(=O)O)cc1 4655869 VUHLHICUIYPFET-LLVKDONJSA-N 281.308 0.380 0 50 CCAA Cn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O 9789786 VVNQRKZPCUGJFR-UHFFFAOYSA-N 276.296 0.775 0 50 CCAA CCN1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 343338615 FDIMTXIPOPPUPW-NSHDSACASA-N 258.362 0.591 0 50 CCAA COC(=O)c1c[nH]nc1S(=O)(=O)N1CCCCC1 57478146 CZDVMNGCFQTFIQ-UHFFFAOYSA-N 273.314 0.371 0 50 CCAA CCc1ccc(N([C@H](C)C(N)=O)S(C)(=O)=O)cc1 67338637 SEKORXPZJVHHSZ-SECBINFHSA-N 270.354 0.889 0 50 CCAA CN1CCO[C@@H]2CN(c3nnc(C(F)F)o3)C[C@@H]21 330355279 QLYJHNBMKWLXTJ-NKWVEPMBSA-N 260.244 0.526 0 50 CCAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 33359581 IFJOWFJWYZTPRQ-LLVKDONJSA-N 289.401 0.127 0 50 CCAA C[C@@H]1CCC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 231679768 ZUCGBSOTEYGHPF-GIPNMCIBSA-N 254.330 0.322 0 50 CCAA C[C@@H](NC(=O)CS(C)(=O)=O)c1nc(C(C)(C)C)no1 330929474 NIUFBOONDWNZEM-SSDOTTSWSA-N 289.357 0.589 0 50 CCAA C[C@@]1(c2ccccc2)CCN(CC(=O)NCC(=O)O)C1 361765317 YTDFJLFFVFGHTG-OAHLLOKOSA-N 276.336 0.851 0 50 CCAA C[C@H](C(=O)N1CCOC[C@@]12CCOC2)n1cccn1 282292612 YNNWGMIVLBSSFR-YPMHNXCESA-N 265.313 0.462 0 50 CCAA Cc1nc(CCNC(=O)C[C@H]2NC(=O)NC2=O)sc1C 215092523 JWJBEARJDBOKET-MRVPVSSYSA-N 296.352 0.017 0 50 CCAA C[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(=O)O 262530371 OUQUDDDVMFYXRY-QMMMGPOBSA-N 277.280 0.419 0 50 CCAA Cn1ccc(CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1 331930428 NQNVPCOGBFECPN-CQSZACIVSA-N 291.355 0.230 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1C(=O)Cc1cc(C)[nH]n1 368494174 DWSCOUIYLAOYEK-ONGXEEELSA-N 254.309 0.419 0 50 CCAA CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@@H](N)C2)c1 158590859 JARGHCLLTUXBOX-MUBLQREKSA-N 288.351 0.404 0 50 CCAA Cc1cnc(C(=O)N2CCC[C@H](n3ccnn3)C2)cn1 333238085 DJCJPNNZBAQWAA-NSHDSACASA-N 272.312 0.854 0 50 CCAA CN(CCNS(C)(=O)=O)[C@@H]1Cc2ccccc2[C@H]1O 239352100 ABBHSUDUOVVLNB-CHWSQXEVSA-N 284.381 0.126 0 50 CCAA C[C@@H](NC(=O)/C=C/CN(C)C)C1(S(C)(=O)=O)CC1 492832024 FDUFXKRFRYTKJV-BRAIEQGRSA-N 274.386 0.186 0 50 CCAA O=c1c2cc(F)ccc2ncn1C[C@H]1CNCCO1 42948723 HPDXRMWKVVCVDB-SNVBAGLBSA-N 263.272 0.524 0 50 CCAA NC(=O)N1CCN2C(=O)N(CC3CCCC3)C(=O)[C@H]2C1 336043142 KMEKMKYFFYUBHH-SNVBAGLBSA-N 280.328 0.204 0 50 CCAA NC(=O)c1nc(CNC(=O)c2cc3sccc3[nH]2)no1 222228142 ARJQBMZATSISCE-UHFFFAOYSA-N 291.292 0.641 0 50 CCAA Cc1nc(CNC(=O)Cc2c(C)nc3ccccn23)n[nH]1 426628733 HPXQSAYKELIQIX-UHFFFAOYSA-N 284.323 0.928 0 50 CCAA COc1cc2c(cc1OC)[C@@]1(OC(=O)NC1=O)C(=O)N2 226795969 TYGJCPGRNJTBFD-GFCCVEGCSA-N 278.220 0.118 0 50 CCAA CCN1CCC[C@](C)(C(=O)NCCCc2nn[nH]n2)C1 426507811 BBRQNTFOCDRINA-ZDUSSCGKSA-N 280.376 0.371 0 50 CCAA CC(C)CN1C[C@H](C(=O)NCCc2cnn[nH]2)CCC1=O 426470462 AGEGQCSQQNJPLK-LLVKDONJSA-N 293.371 0.358 0 50 CCAA CCOCCCNC(=O)NCc1nc(C)cc(O)n1 426662014 LJZGSVFQPAGWJF-UHFFFAOYSA-N 268.317 0.716 0 50 CCAA O=C(N[C@@H]1CCO[C@H]1C1CCNCC1)C(F)(F)F 238833319 APCIETLTELLVSM-BDAKNGLRSA-N 266.263 0.822 0 50 CCAA Cn1ccnc1-c1cn(C[C@@H]2CCS(=O)(=O)C2)nn1 91793827 XUXCBBOSHCZQNV-VIFPVBQESA-N 281.341 0.113 0 50 CCAA CCC[C@]1(CO)CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1 92037940 DDJNRJIZOGFGFI-AWEZNQCLSA-N 295.339 0.078 0 50 CCAA CN1C(=O)N(CCCn2ccnc2)C(=O)C12CCNCC2 95528911 JPXZUWANGXBBOW-UHFFFAOYSA-N 291.355 0.289 0 50 CCAA COCC[C@@]1(CO)CCCN(CCN2CCCC2=O)C1 91691262 WDILKEGVAGJQCM-HNNXBMFYSA-N 284.400 0.720 0 50 CCAA Cn1nc2c(c1NC(=O)CCn1cnnn1)CSC2 524733847 VQCPKFMNVCSVQC-UHFFFAOYSA-N 279.329 0.182 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 299751064 PJOKGPMDHBRLMV-IJLUTSLNSA-N 285.340 0.894 0 50 CCAA CC1(C)CN(c2nc(=N)[nH]c(=N)[nH]2)[C@@H]1c1cccnc1 624238065 JQXUKGHEAIGGRM-SECBINFHSA-N 271.328 0.679 0 50 CCAA Cc1nc[nH]c1CSCCNC(=O)CCC(=O)O 534654255 AYTSVYYLGDXNMH-UHFFFAOYSA-N 271.342 0.932 0 50 CCAA Cn1ccnc1[C@H](NC(=O)CCN1CCOCC1)C1CC1 299785535 UJJSQAFEPCXYAJ-CQSZACIVSA-N 292.383 0.710 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@@H]1CCCN(C(=O)C(C)C)C1 299791367 DOWQGMHOIMPXGR-SNVBAGLBSA-N 279.344 0.490 0 50 CCAA O=C(C[C@H]1CNCCO1)NCCc1cn2ccccc2n1 299771551 QQBMZCAXZWXBSH-ZDUSSCGKSA-N 288.351 0.372 0 50 CCAA CN(C)C(=O)NCC(=O)N(C)C[C@@H]1CCN(C)C1(C)C 827881257 TZKCBLARLAPEOR-NSHDSACASA-N 284.404 0.446 0 50 CCAA Cc1cccc2nc(CCNS(C)(=O)=O)[nH]c12 825230911 WYDNFMHTSAMSGA-UHFFFAOYSA-N 253.327 0.963 0 50 CCAA CN(C)C(=O)NCC(=O)N[C@H](CN1CCCC1)C(C)(C)C 584894375 XYPDNVSTHUWSKK-GFCCVEGCSA-N 298.431 0.884 0 50 CCAA Cn1ncnc1CCn1cnc2cccnc2c1=O 584896033 WXQCBRPZVZXNQL-UHFFFAOYSA-N 256.269 0.163 0 50 CCAA Cn1ncnc1CCn1cnc2cc(F)ccc2c1=O 670449150 UOBOUBBZSQEPIZ-UHFFFAOYSA-N 273.271 0.907 0 50 CCAA CN(C)C[C@@H]1COCCN(CCCn2cccn2)C1 670470546 RBVJGLAVZOJKRZ-AWEZNQCLSA-N 266.389 0.783 0 50 CCAA Cc1nonc1CNC(=O)CCc1c(C)nn(C)c1C 584887897 RAGKCAMHKHQBLE-UHFFFAOYSA-N 277.328 0.977 0 50 CCAA CCCN1C[C@@H](NS(=O)(=O)c2cccnc2)CC1=O 670467081 KVVKYRJIXBOEJV-JTQLQIEISA-N 283.353 0.371 0 50 CCAA Cc1cnc(CCNC(=O)N2C[C@@H](N)C3(CCC3)C2)cn1 1553489022 OIZZCHXENIMXTL-CYBMUJFWSA-N 289.383 0.850 0 50 CCAA C[C@@H]1[C@@H](C(=O)N2CC[C@H](S(C)(=O)=O)C2)C1(F)F 407965367 LVGKZNBEXZZZFT-CSMHCCOUSA-N 267.297 0.533 0 50 CCAA CCc1cc(NC(=O)[C@H]2CCCC(=O)N2)n(C)n1 270333997 OJHBHHDBBCKDKT-SECBINFHSA-N 250.302 0.590 0 50 CCAA CC(=O)NC1CN(C[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 668172083 CWXKUQRRVBWRHQ-SWLSCSKDSA-N 292.383 0.708 0 50 CCAA CN(C)c1nccc(CNC(=O)N[C@H]2CCCCNC2)n1 580704101 HHJAGGSPCGEIHL-NSHDSACASA-N 292.387 0.484 0 50 CCAA CCOC1(C)CCN(c2ccc3nnnn3n2)CC1 580750156 SSOJLKAYEPVYKZ-UHFFFAOYSA-N 262.317 0.915 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)N(C)CC1(O)CCOCC1 190731601 LJAMRPJQGRQOPO-VXGBXAGGSA-N 271.357 0.801 0 50 CCAA Cn1ccc(C(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)n1 585125772 FHJIOJNYFJNAPF-STQMWFEESA-N 293.367 0.860 0 50 CCAA C=CC(=O)N1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 585122754 RQASQNOGKUTVME-GHMZBOCLSA-N 252.314 0.126 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1CCC(C)(C)O 643829317 WKQULGFCZVXSDU-ZDUSSCGKSA-N 258.362 0.374 0 50 CCAA CN1CC[C@@H]2CN(C(=O)C3CCOCC3)C[C@]2(C(=O)O)C1 1616104735 WVHHUFPZGWRFQB-IUODEOHRSA-N 296.367 0.278 0 50 CCAA COC(=O)c1ccc(OC[C@@H](O)CN(C)C)cc1 5524923 SONXOBMWMCSYQI-NSHDSACASA-N 253.298 0.775 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)c1sc(N)nc1C 222402014 SIKRBYIZUYAPLG-HTQZYQBOSA-N 271.342 0.567 0 50 CCAA CN(C)C(=O)c1ccc(N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)nc1 1704298133 FPAWGXMJLIFLJQ-KPWCQOOUSA-N 286.379 0.970 0 50 CCAA C[C@@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)O)ccc2O1 261672827 AUNLDBYDHNCJPQ-MRVPVSSYSA-N 285.321 0.715 0 50 CCAA CN1CCN(Cc2nc(N)c3ccccc3n2)CC1=O 119413274 FJPPHHQNXDELAH-UHFFFAOYSA-N 271.324 0.486 0 50 CCAA CN(C)C[C@H]1CN(C[C@@H](O)c2ccccc2)CCO1 229517614 GFIJNCFLJXUSBM-LSDHHAIUSA-N 264.369 0.982 0 50 CCAA S=C1NCN(Cc2ccc3c(c2)OCO3)CN1 19873918 JSKZYAPGCAXNQT-UHFFFAOYSA-N 251.311 0.610 0 50 CCAA CCn1ncc(CNC(=O)[C@H]2C[C@H]3C[C@@H](N)[C@H]3C2)n1 1857532478 IVOHWYMNZFLZNC-FSZOTQKASA-N 263.345 0.288 0 50 CCAA Cc1nc(O)cc(CN2CCO[C@H]3C[C@H](CO)C[C@@H]32)n1 1857720448 VCTOKJGYERGWLD-WXHSDQCUSA-N 279.340 0.462 0 50 CCAA COc1cnc(C(=O)N[C@H]2CCN(C3CCC3)C2=O)nc1 629920076 DDCFADCPJYCZGI-NSHDSACASA-N 290.323 0.368 0 50 CCAA NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 529779049 WYOHIXBUZQRSDY-HGCLJGPKSA-N 266.341 0.260 0 50 CCAA CN(C[C@H]1CCCO1)C(=O)[C@@H](NC(N)=O)C(C)(C)C 253404906 VUMUOBKILQEIMY-NXEZZACHSA-N 271.361 0.707 0 50 CCAA Cc1cccc(C)c1OCCNC(=O)[C@H]1C[C@@H](O)CN1 152151802 RKNZMLLOJUFASV-CHWSQXEVSA-N 278.352 0.521 0 50 CCAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H](NC(N)=O)C(C)(C)C 375130317 IJGUOKDCVBPLOE-IJLUTSLNSA-N 296.415 0.765 0 50 CCAA CNC1CCN(C(=O)Cn2nc(C)c3cccnc32)CC1 911787473 RPASCIFROBORCY-UHFFFAOYSA-N 287.367 0.950 0 50 CCAA CCNCC(=O)Nc1cccc2c1CCN(C)C2=O 851646212 YRAVTOCJZKCKHH-UHFFFAOYSA-N 261.325 0.863 0 50 CCAA O=S(=O)(N1CCCC1)N1CC[C@@H]2CCNC[C@H]21 1875268559 YTLJISPUZRBSLR-WDEREUQCSA-N 259.375 0.011 0 50 CCAA COc1ccc(F)c(N2C[C@H]3NC(=O)CC[C@@H]3C2)n1 1875288056 MBNDDDZDFLCGCT-PSASIEDQSA-N 265.288 0.944 0 50 CCAA NC(=O)c1noc([C@H]2CCCN2CCCn2ccnc2)n1 886044706 ZLTPPEOMECLOSN-SNVBAGLBSA-N 290.327 0.592 0 50 CCAA CN1C[C@@H](OC(=O)CN2CCCCCCC2=O)CNC1=O 888093465 UFAJNNPINVEWMO-NSHDSACASA-N 297.355 0.346 0 50 CCAA CO[C@H]1CCCCN(CC(=O)Nc2cncnc2)C1=O 888076513 PUJMRNKUOZLQPI-NSHDSACASA-N 278.312 0.443 0 50 CCAA CN1CCOC[C@]1(CO)CNc1ncnc2ccccc12 895612929 SERPNMZUZOHQPI-OAHLLOKOSA-N 288.351 0.735 0 50 CCAA O=C(CCC1CCCC1)NCC(=O)Nc1n[nH]c(CO)n1 1775992843 WENRCVRREXEPPM-UHFFFAOYSA-N 295.343 0.322 0 50 CCAA COc1ccc(CN2CCC(OC)(OC)[C@H](O)C2)cc1O 1775998207 BHROIAYBZDIJNT-CQSZACIVSA-N 297.351 0.957 0 50 CCAA CCOC[C@@H](O)CN1CCC[C@H]1c1noc(C)n1 257365446 SYQZLRZNDKUTAE-QWRGUYRKSA-N 255.318 0.912 0 50 CCAA CNC[C@H](C)CNS(=O)(=O)C[C@H]1CCCCO1 178955179 BWBZPHLOZNOYDS-WDEREUQCSA-N 264.391 0.330 0 50 CCAA CS(=O)(=O)CC1(Cn2cc(F)ccc2=O)CC1 331466542 VROYNUVDLBACNT-UHFFFAOYSA-N 259.302 0.812 0 50 CCAA Cc1ncn(C[C@H](O)CN(C)C2CC2)c(=O)c1C 331837405 KIIZWGUXMRGYED-GFCCVEGCSA-N 251.330 0.315 0 50 CCAA COc1ccccc1OC[C@H](O)CNC[C@@](C)(O)CCO 2325783274 KAEQSFSXBXBJNX-DOMZBBRYSA-N 299.367 0.158 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1c(C)ncn1C)C2 2356153263 YVCFHXNZIVEZEW-FZMZJTMJSA-N 279.340 0.464 0 50 CCAA COC(=O)C12CC(=O)CC1(C(=O)OC)CC(=O)C2 2519507 WIDZSAJDYUQHJO-UHFFFAOYSA-N 254.238 0.031 0 50 CCAA CN1C(=O)Cc2cc(-c3nc(-n4ccnc4)n[nH]3)cnc21 2356166419 WWQCLNZGKHPXSN-UHFFFAOYSA-N 281.279 0.571 0 50 CCAA O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCNCC1 20746056 RDDZPOGQAYQCHB-LLVKDONJSA-N 291.326 0.610 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)CSC(C)C)CN1C 65397930 JSFQNWJGPUCLFF-ZJUUUORDSA-N 274.386 0.490 0 50 CCAA CC(C)N1CCC(C(=O)N[C@H]2C=CS(=O)(=O)C2)CC1 65371471 UJSXUUZJPUQURP-LBPRGKRZSA-N 286.397 0.534 0 50 CCAA CNC(=O)c1nc(CN2CCO[C@@H](C(F)(F)F)C2)no1 71721633 PBHOUNPUBCKYBN-ZCFIWIBFSA-N 294.233 0.192 0 50 CCAA CC(=O)c1cn(Cc2cc(C)no2)c(=O)n(C)c1=O 122350375 GQUGPSPPIOCULW-UHFFFAOYSA-N 263.253 0.094 0 50 CCAA CN(CC(=N)O)C[C@@H]1CN(C(=O)C(C)(C)F)CCO1 328628279 HCZWROUYSPZCRB-SECBINFHSA-N 275.324 0.429 0 50 CCAA CCN(C(=O)c1cc(C)n(CC)n1)[C@H]1CCS(=O)(=O)C1 74663841 WYCKSAFJXYACGU-NSHDSACASA-N 299.396 0.861 0 50 CCAA CC(C)CN1CCN(C(=O)c2cnc[nH]c2=O)[C@@H](C)C1=O 77421614 RXJSGJTUUXCUTD-JTQLQIEISA-N 292.339 0.099 0 50 CCAA CS(=O)(=O)NCCN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 337317362 YVOMWKMSBFWPOJ-YNEHKIRRSA-N 290.429 0.551 0 50 CCAA Cc1n[nH]c(=NC[C@H]2CCCN(c3ncccn3)C2)o1 367840200 FSQHVPJKZSYSLX-LLVKDONJSA-N 274.328 0.918 0 50 CCAA C[C@]1(CNC(=O)CN2CCCCCCC2=O)CCC(=O)N1 333541932 SELKSODEQIJJMH-OAHLLOKOSA-N 295.383 0.564 0 50 CCAA C[C@H]1CC[C@H](C)N1CCN1CCN(CC(=O)O)CC1 237609300 CRDTYBUUJJNFPV-STQMWFEESA-N 269.389 0.561 0 50 CCAA NC1(CC(=O)N2CCC[C@H](Cn3cncn3)C2)CCC1 237985626 YXTSVKPCLBAHKU-LBPRGKRZSA-N 277.372 0.788 0 50 CCAA C[C@H]1OCCN(Cc2cccc3c2OCCO3)[C@@H]1C(N)=O 284613245 MIDMGDJXVIXPGP-MFKMUULPSA-N 292.335 0.532 0 50 CCAA COC[C@@H]1[C@@H](NC(=O)CCCc2cn[nH]c2)[C@@H]2CCO[C@@H]21 220021905 BOQSFSPPNJXSIH-NEBZKDRISA-N 293.367 0.899 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)CCc2ccncc2)CC1 48293175 HRKLWPBXMQBBEB-UHFFFAOYSA-N 297.380 0.118 0 50 CCAA Cc1cc(C)nc(CCNC(=O)N[C@H](C(N)=O)C(C)C)n1 426440379 VLYRUWJNXREYDK-LBPRGKRZSA-N 293.371 0.445 0 50 CCAA Cc1cc(C)n(CCNC(=O)c2ccn(C)c2C)c(=O)n1 426435453 SZSFOLMKAMGDEZ-UHFFFAOYSA-N 288.351 0.937 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1nccn1C 223049811 MKHKRLSULZSOAY-ZDCRXTMVSA-N 265.313 0.200 0 50 CCAA COCCN(C)C[C@@H]1CN(Cc2cccnc2)C[C@@H]1CO 91365247 BGWOKVFGZPZANR-HZPDHXFCSA-N 293.411 0.700 0 50 CCAA COc1cccc(-c2cc(C(=O)NC[C@H](O)CO)[nH]n2)c1 92062343 OKAUEOURIFLPLW-JTQLQIEISA-N 291.307 0.168 0 50 CCAA Cc1cc(N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)ccn1 91664654 PDYUUFUSSMDGMG-LBPRGKRZSA-N 289.335 0.950 0 50 CCAA O=C1O[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 256029698 CQYVSKAFZIKDOR-GHMZBOCLSA-N 267.306 0.804 0 50 CCAA COc1ccnc(CN2CCN(c3nc[nH]n3)CC2)c1 252501315 UDWPIEADSPPYIM-UHFFFAOYSA-N 274.328 0.531 0 50 CCAA OCC(CO)NC[C@@H]1CCN(c2ccc(F)cc2)C1 534635298 NHFCENYXLFFOIB-NSHDSACASA-N 268.332 0.595 0 50 CCAA Cn1cnnc1CCC(=O)N1CCC[C@H](c2cc[nH]n2)C1 299798635 TXGKEUDXYLBABK-NSHDSACASA-N 288.355 0.877 0 50 CCAA CCc1nc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)n[nH]1 299760960 QEUSHMFLCYZHOB-QWRGUYRKSA-N 289.343 0.304 0 50 CCAA Cc1n[nH]nc1C(=O)NCC1CCN(C(C)C)CC1 299757222 JSPKLJWGIZXLSE-UHFFFAOYSA-N 265.361 0.963 0 50 CCAA OC1CN(c2nc(NCC3CC3)cc([C@@H]3CCOC3)n2)C1 299781916 SBCMRDMZDLJXHW-LLVKDONJSA-N 290.367 0.983 0 50 CCAA NC(=O)c1ccnc(NC[C@H]2CC(=O)N(C3CC3)C2)c1 828248061 KQJWIQDNOPAHTE-SECBINFHSA-N 274.324 0.603 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1 584898054 IBNDURZEICSBCP-STQMWFEESA-N 297.786 0.960 0 50 CCAA CN(CCN1CCCC1)S(=O)(=O)c1cn[nH]c1 63054794 SLJSASHNKVFNTR-UHFFFAOYSA-N 258.347 0.126 0 50 CCAA O=C(NCC1CCN(C(=O)CO)CC1)c1ccoc1 952967634 BZQPANASSRIZRH-UHFFFAOYSA-N 266.297 0.240 0 50 CCAA C[C@H]1CN(C(=O)CCCn2cnnn2)C[C@]1(O)C1CCC1 1565527095 KELUSHMNDJHGIZ-SMDDNHRTSA-N 293.371 0.463 0 50 CCAA C[C@@H](CCCO)NC(=O)Cn1cc(C2CC2)nn1 305082434 RHOIYPARRJBUNY-VIFPVBQESA-N 252.318 0.433 0 50 CCAA O=C(N=c1[nH]ncs1)N1CCC[C@H](c2nc[nH]n2)C1 408353084 XSPZKXQFAPNNFT-ZETCQYMHSA-N 279.329 0.490 0 50 CCAA C[C@H](NC(=O)N1CC[S@@](=O)[C@H](C)[C@H]1C)C(=O)N(C)C 408309824 ZGQNDKODZYAMGG-VKTIEPJSSA-N 289.401 0.014 0 50 CCAA C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)C(=O)O1 408521026 FVGBAVCHISJKAZ-OPRDCNLKSA-N 298.339 0.816 0 50 CCAA CN(C)[C@@H]1C[C@H](N=c2[nH]ccn3cnnc23)C1(C)C 585092172 IBNQNHCOKMNHNI-VHSXEESVSA-N 260.345 0.687 0 50 CCAA CN(C)c1ccc([C@H]2CCCN2Cc2nc(O)n[nH]2)nn1 643730825 CHOZQJFWGUEMBA-SNVBAGLBSA-N 289.343 0.703 0 50 CCAA Cc1ccc(C(=O)N2CCC[C@](O)(CC(N)=O)C2)nc1C 643995572 KJDULZDGAKGRFQ-HNNXBMFYSA-N 291.351 0.541 0 50 CCAA C[C@@H](C1CC1)N(C)S(=O)(=O)NCCNc1ncccn1 736330608 ZENUDDBAHYFEQH-JTQLQIEISA-N 299.400 0.453 0 50 CCAA CN(CCn1cccn1)C(=O)[C@@H]1CC12CCNCC2 96152716 KYKXYFRJZJGKDI-LBPRGKRZSA-N 262.357 0.731 0 50 CCAA CCn1cc(CC(=O)N[C@]23CCC[C@@H]2NCC3)nn1 1615547774 QATHNRBYWGAEAC-AAEUAGOBSA-N 263.345 0.241 0 50 CCAA O=C(CSC1=N[C@@H]2CCCC[C@@H]2N1)N1CCOCC1 314043 YKWHALHXTMWCPC-PHIMTYICSA-N 283.397 0.849 0 50 CCAA COC[C@@H]1CCCN(S(=O)(=O)NCC2(C)COC2)C1 1506416757 FGLQROXAZGGYND-LLVKDONJSA-N 292.401 0.216 0 50 CCAA CC[C@H](OC)C(=O)Nc1sc(NC)nc1C(N)=O 1506409892 APTVCLBGULEDRB-YFKPBYRVSA-N 272.330 0.647 0 50 CCAA CO[C@H]1COC[C@@H]1Nc1cc(OC(C)C)nc(N)n1 1529120007 QFZWEKIAGORKCQ-IUCAKERBSA-N 268.317 0.672 0 50 CCAA Cc1n[nH]cc1CN(C)c1cc(NCCO)ncn1 1529167323 GMSHTRNHYLECFL-UHFFFAOYSA-N 262.317 0.549 0 50 CCAA Cc1nc(NC(CO)CO)ccc1Br 230079915 UFCUITXRTWRICI-UHFFFAOYSA-N 261.119 0.918 0 50 CCAA CN(CCC1CCOCC1)c1cc(C(N)=O)ncn1 641432183 DGRHKQJWRVJIEV-UHFFFAOYSA-N 264.329 0.828 0 50 CCAA CN(C)C(=O)c1cc(N2CCN(C)C(=O)C2)ccn1 740871134 PFINYILNIDHNRP-UHFFFAOYSA-N 262.313 0.062 0 50 CCAA CNC(=O)CC(=O)N1CC(C)(C)O[C@@H]2CCC[C@H]21 336170943 OTMNBTYXHNGKNC-NXEZZACHSA-N 254.330 0.681 0 50 CCAA COCC1(C(=O)N2CCC[C@@H](C(N)=O)C2)CCOCC1 377343444 DMJDYRFCILQRMM-LLVKDONJSA-N 284.356 0.154 0 50 CCAA NS(=O)(=O)CCCC(=O)NCc1cccn2nccc12 1772810416 MKZPXAJNOSHJOD-UHFFFAOYSA-N 296.352 0.019 0 50 CCAA C[C@H]1CN(CC(=O)NCCCn2ccnc2)C[C@@H](C)O1 19791342 QVSYULQEGDAVAT-BETUJISGSA-N 280.372 0.499 0 50 CCAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OC)[C@H]1O 164377935 KCXVHILKGUDBTH-JSLGZRHDSA-N 296.319 0.848 0 50 CCAA CCS(=O)(=O)c1ccc(C(=O)N2CCNC[C@H]2C)cc1 124490803 LUDIESGNOSOCKO-LLVKDONJSA-N 296.392 0.914 0 50 CCAA COC(=O)c1cccc(CN2CC[C@H](CO)[C@H](O)C2)c1 561787399 ZRLCPSMTCACWRO-ZIAGYGMSSA-N 279.336 0.648 0 50 CCAA NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccncc1F 682612407 WGTITWGBWBWQFV-AUTRQRHGSA-N 277.299 0.947 0 50 CCAA CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](C(=O)O)C1 261891579 UATSWBXLVYJRQF-RKDXNWHRSA-N 271.317 0.147 0 50 CCAA CN(C)c1nc(N)nc(-c2nc(-c3cnccn3)no2)n1 904651337 AGLFALZFHGXNMF-UHFFFAOYSA-N 285.271 0.027 0 50 CCAA COc1ccnc(N2C[C@H]3COC[C@@H](C2)CN3C)n1 1704337293 ZHRWOLITVNVNEI-MNOVXSKESA-N 264.329 0.252 0 50 CCAA O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)c1cc2cccnc2[nH]1 909187522 OSKNDQHQRHKCEB-KGYLQXTDSA-N 297.318 0.864 0 50 CCAA CCn1cc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)cn1 864274053 UCQMFYGLDXNKLA-LBPRGKRZSA-N 295.339 0.760 0 50 CCAA O=C1CCc2c(cccc2C(=O)N2C[C@@H]3C[C@]3(O)C2)N1 1875294997 AKWIKXTZFOTZML-VFZGTOFNSA-N 272.304 0.778 0 50 CCAA Cc1cc(C2(C(=O)NO[C@@H]3CCOC3)CC2)on1 1875269777 PPFYZODXXJNAHT-SECBINFHSA-N 252.270 0.851 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1N1C(=O)N[C@@H](C2CCC2)C1=O 1875291362 WMXXJVWJESJLMT-NMLBEHRDSA-N 265.313 0.374 0 50 CCAA CCS(=O)(=O)CCn1cc(-c2ccncc2)nn1 1875282305 WWEZQBHLCYVIRC-UHFFFAOYSA-N 266.326 0.775 0 50 CCAA Cc1nc([C@@H]2CN(Cc3ccnc(O)c3)CCO2)n[nH]1 892173349 LVAQAXQKWUNFMS-NSHDSACASA-N 275.312 0.787 0 50 CCAA Cn1c(=O)nc(O)c2cc(Br)cnc21 1775955254 LLHPSETYBOEQPG-UHFFFAOYSA-N 256.059 0.797 0 50 CCAA O=C(NCC1(CO)COC1)c1csc(C2CC2)n1 333523375 ZUYDOVMFNQMVCS-UHFFFAOYSA-N 268.338 0.759 0 50 CCAA NC(=O)CN1CCC(Nc2ncnc3[nH]ccc23)CC1 584896376 QJNYXPIXPZCJLR-UHFFFAOYSA-N 274.328 0.320 0 50 CCAA COC(=O)c1ccc(C)c(N(CCO)CCO)c1 311921 YTXWVEKQZDTPIF-UHFFFAOYSA-N 253.298 0.573 0 50 CCAA Cn1nc(C2CC2)nc1CC(=O)Nc1cnsn1 843596007 OOPSISCBWRCLNW-UHFFFAOYSA-N 264.314 0.725 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCCC(=O)[C@H]1C 885053235 FJFYQMMQNJQQHP-SNVBAGLBSA-N 252.314 0.601 0 50 CCAA O=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 168622 ZQKMWRGUSKTUKM-NXEZZACHSA-N 253.229 0.486 0 50 CCAA CN=c1ccnc(N(C)[C@@H]2C[C@@H]3CNC(=O)C[C@@H]3C2)[nH]1 2356162453 CIPUCEWDBQOLBJ-AXFHLTTASA-N 275.356 0.291 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)cc1 8844796 FJKZRWJFNKTYAG-NSHDSACASA-N 280.353 0.954 0 50 CCAA COC(=O)c1cncnc1N(C)C[C@@H](C)C(=O)OC 225822545 YFNLEWNPJJFUAW-MRVPVSSYSA-N 267.285 0.509 0 50 CCAA CNS(=O)(=O)NC1CCN(C/C=C/Cl)CC1 225843847 FYAZIQGVCIWCAI-GORDUTHDSA-N 267.782 0.257 0 50 CCAA Nc1cc(=O)[nH]c(SCC(=O)c2ccc(O)cc2O)n1 9056646 JUPIHHKZNMFWGC-UHFFFAOYSA-N 293.304 0.738 0 50 CCAA COc1cnc(C(=O)NCC2(CO)CCOCC2)nc1 343352846 YVAWGUUNNBQVLQ-UHFFFAOYSA-N 281.312 0.004 0 50 CCAA CC(C)COCCN1CCC[C@@](O)(Cn2ccnn2)C1 343935291 NQVULVRAJBACCR-AWEZNQCLSA-N 282.388 0.778 0 50 CCAA COCC(=O)N1CCCN(C)C2(CCN(C)CC2)C1 67514509 RWWAGQMTRQOSBX-UHFFFAOYSA-N 269.389 0.261 0 50 CCAA O=C1NC(=O)[C@H](CCc2nc(Cc3ccccc3)n[nH]2)N1 65388248 NHJSSXNGCJVMPC-JTQLQIEISA-N 285.307 0.536 0 50 CCAA CC1(C)CNC(=O)c2nc([C@H]3CCS(=O)(=O)C3)[nH]c2C1 65460637 OIUSMJINSTXKKM-QMMMGPOBSA-N 297.380 0.624 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(Cc3ncc[nH]3)C[C@@H]2C)CC1 229922225 QMLLFNKYOWHQSG-GXTWGEPZSA-N 291.399 0.394 0 50 CCAA O=C1CCCN1C[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 216225429 WVMCWTQFRILMRV-LLVKDONJSA-N 276.340 0.884 0 50 CCAA CN(CC(=O)N1CCOCC1)C[C@@H]1CCc2nccn2C1 328650995 VSDZESHIHPLCCE-ZDUSSCGKSA-N 292.383 0.236 0 50 CCAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)CN(C)C)c1 282344512 DVAQAIBQXIMRGH-GXTWGEPZSA-N 278.352 0.891 0 50 CCAA Cc1nc2n(c1C)CCN(C[C@H](O)CN1CCCC1=O)C2 362990765 YNAASVJYIXHMPN-ZDUSSCGKSA-N 292.383 0.299 0 50 CCAA C[C@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H](C)N1 154247532 XYBVIYDABLORCA-UWVGGRQHSA-N 262.375 0.020 0 50 CCAA O=C([C@H]1CNCCO1)N1CCNC[C@@H]1c1ccccc1 333480098 BIHNABZBCBFJHB-ZIAGYGMSSA-N 275.352 0.148 0 50 CCAA C[C@H](C(=O)O)N(C)S(=O)(=O)c1cccc(N(C)C)c1 261666537 OPRTXDVIFNRQBZ-SECBINFHSA-N 286.353 0.846 0 50 CCAA Cc1cnc(N2CCC[C@@](O)(Cn3ccnn3)C2)nc1C 284837704 WJBYQDXLPBBKST-AWEZNQCLSA-N 288.355 0.716 0 50 CCAA Cc1ccc(S(=O)(=O)N(CC(=O)O)C(C)C)cn1 263511959 YBWZKFXWMLEVCE-UHFFFAOYSA-N 272.326 0.874 0 50 CCAA O=C1CN(Cc2nc(-c3ccc(F)c(F)c3)no2)CCN1 178508820 OARRRHYWQLFDQC-UHFFFAOYSA-N 294.261 0.947 0 50 CCAA CN1CCN(CCC(=O)N2CCCC[C@H]2CC(=O)O)CC1 426361861 ZSYLRTIHKYDZME-ZDUSSCGKSA-N 297.399 0.480 0 50 CCAA CN1CCN(CC(=O)N2CCC[C@](C)(C(=O)O)C2)C1=O 426470915 UYKKWFYRQVIIPS-ZDUSSCGKSA-N 283.328 0.067 0 50 CCAA CNC(=O)c1ccc(CN2CCCNC(=O)[C@@H]2C)cc1 336537300 CIPKVILJFWIRCN-NSHDSACASA-N 275.352 0.757 0 50 CCAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1 95518977 BFMOKDMEDNEJCZ-SNVBAGLBSA-N 289.339 0.939 0 50 CCAA CN(C)Cc1nc(CC2CC2)nn1[C@H]1CCS(=O)(=O)C1 95497888 LWRAJQCFCJVIMZ-NSHDSACASA-N 298.412 0.652 0 50 CCAA Cc1nn(C)c2nc(NC[C@H](O)CN(C)C)sc12 96152895 CMAQJKLOWAEPNX-QMMMGPOBSA-N 269.374 0.673 0 50 CCAA CNCCNC(=O)c1cc(CC(C)C)nc(C)n1 244773786 PGMITQWYORIBGY-UHFFFAOYSA-N 250.346 0.933 0 50 CCAA O=C(CO)N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 244787781 QDPLWEVMDCSSEG-SUZMYJTESA-N 253.273 0.746 0 50 CCAA NC(=O)[C@H](O)C1CCN(C[C@H](O)c2ccccc2F)CC1 299745691 RVSJFPANITVJDI-UONOGXRCSA-N 296.342 0.417 0 50 CCAA CN(C)[C@H]1CCCN(CCn2cc[nH]c2=O)CC1 244840375 UMCSJJDSVXMFKI-LBPRGKRZSA-N 252.362 0.593 0 50 CCAA Cc1cnccc1NC(=O)N[C@@]1(CO)CCOC1 183446354 XAIATRILOMULRK-GFCCVEGCSA-N 251.286 0.663 0 50 CCAA O=C1CC[C@@H]2CNCC[C@@H]2N1CCCN1CCOCC1 299801200 WBSUXTSDXCKJLG-KGLIPLIRSA-N 281.400 0.309 0 50 CCAA CCN1C[C@H](NC(=O)Cc2c(C)noc2C)[C@@H](OC)C1 534592637 PIUJRIOQDOFNQJ-STQMWFEESA-N 281.356 0.669 0 50 CCAA CC1(C)C[C@H](C(=O)NCCn2ccnn2)CCO1 534633029 SALAVBNXUGFMDX-SNVBAGLBSA-N 252.318 0.600 0 50 CCAA Nc1cc(=O)n(C(=O)c2cncc(Br)c2)o1 261494550 YOYRGKVUILDVIZ-UHFFFAOYSA-N 284.069 0.870 0 50 CCAA C[C@H](CCNC(=O)c1cncc(O)c1)N1CCN(C)CC1 534651081 DKFYJJDJKFTSOU-GFCCVEGCSA-N 292.383 0.543 0 50 CCAA CC(C)c1nccn1CCCNC(=O)c1cnn[nH]1 299785315 XKZXTDPEHVPJBQ-UHFFFAOYSA-N 262.317 0.945 0 50 CCAA CCc1nn(C)c2c(=O)n(Cc3cnc(C)cn3)cnc12 584890932 GUAUCDBJPZYOJV-UHFFFAOYSA-N 284.323 0.839 0 50 CCAA CNC(=O)[C@@H](NC(=O)CCn1cccn1)c1ccccc1 584898755 HCKZNHSLQUQDPL-AWEZNQCLSA-N 286.335 0.877 0 50 CCAA Cc1ccccc1OCCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 584898195 SBDMAZSEJHFHBP-KBPBESRZSA-N 292.379 0.897 0 50 CCAA CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cncn2C)C1 1362230009 OADQXMNINHVIIW-TZMCWYRMSA-N 276.384 0.905 0 50 CCAA Cc1ncnc(C)c1C(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1565529330 LEQJZXRSJAYGND-QWRGUYRKSA-N 274.324 0.643 0 50 CCAA CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 408144513 MAFKUKLHVJPHOL-VXGBXAGGSA-N 295.383 0.515 0 50 CCAA CCN1C[C@H](C(=O)N[C@]2(C)CCO[C@H]2C)CC1=O 408181938 GPPLISAKEWPCKR-OPQQBVKSSA-N 254.330 0.539 0 50 CCAA CN(CCN(C)C1CC1)C(=O)/C=C/c1cncn1C 408523615 UFKKNLWQWSJENN-VOTSOKGWSA-N 262.357 0.986 0 50 CCAA CC1(C)COCCN1CCNC(=O)[C@@H]1CCCO1 170860751 UNIPJAKXCZBDOK-NSHDSACASA-N 256.346 0.392 0 50 CCAA CN(CCC(=O)O)c1ccc2nnc(C3CC3)n2n1 649400600 DNMBKHCMOZJOPV-UHFFFAOYSA-N 261.285 0.913 0 50 CCAA O=C(O)CN1CC[C@@H](n2cnc(-c3ccccn3)n2)C1=O 663221245 ZZPDXMFWIOHOPO-SNVBAGLBSA-N 287.279 0.198 0 50 CCAA C[C@H](C(=O)Nc1cc(C(=O)O)cs1)S(C)(=O)=O 575433595 CGOZVRFHEZWQGF-RXMQYKEDSA-N 277.323 0.818 0 50 CCAA Cn1cncc1C(=O)N1C[C@H](Cc2ccncc2)[C@@H](O)C1 1616068270 KAIJSDFCOLWBIP-JSGCOSHPSA-N 286.335 0.491 0 50 CCAA O=C(Cc1ccc(O)c(Cl)c1)N[C@H]1CCNC[C@@H]1O 212436944 VBJVDGBIFCPQLS-JQWIXIFHSA-N 284.743 0.427 0 50 CCAA CS(=O)(=O)NC(=O)c1cccc(N=c2cncc[nH]2)c1 1875390930 ZHFRWRHTXJBUQW-UHFFFAOYSA-N 292.320 0.332 0 50 CCAA CC(=O)O[C@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 26892833 NXEJETQVUQAKTO-VVFBATEQSA-N 260.242 0.158 0 50 CCAA in-vitro COc1nc(N2CCN3C(=O)OC[C@@H]3C2)ncc1F 1772702350 JMOREYYUCBPYKX-ZETCQYMHSA-N 268.248 0.265 0 50 CCAA CC(C)(O)[C@H]1[C@@H](N2CCOCC2)C(C)(C)S1(=O)=O 19809070 QZENCEXEELNUEF-NXEZZACHSA-N 277.386 0.034 0 50 CCAA O=C(NC(=S)NCCN1CCOCC1)c1ccccc1 19884883 JQDTUNCIXSBQIY-UHFFFAOYSA-N 293.392 0.623 0 50 CCAA COC(=O)[C@@]12CNC[C@H]1CCN2C(=O)OC(C)(C)C 205362123 JLWQTCIZMBJTKI-NOZJJQNGSA-N 270.329 0.758 0 50 CCAA O=C1C[C@H]2NCC[C@H]2N1CCc1cn2ccsc2n1 1857694811 JJOHGTDWCOPHOX-GHMZBOCLSA-N 276.365 0.901 0 50 CCAA CS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 407967843 RIJPNVACGPPLQJ-NXEZZACHSA-N 297.380 0.475 0 50 CCAA C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O 2164048 RNBMQRYMCAVZPN-SECBINFHSA-N 280.280 0.502 0 50 CCAA in-vitro COC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 2121285 BHEWJAXNLVWPSC-KHQFGBGNSA-N 258.343 0.885 0 50 CCAA in-vitro O=C([C@H]1C[C@H]2CC[C@H]1NC2)N1CCC[C@H](n2ccnn2)C1 333555547 KDOOBEBJKYNANY-ZOBORPQBSA-N 289.383 0.830 0 50 CCAA NC[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 237962519 VPFWXIRBSOMWFY-LLVKDONJSA-N 289.335 0.971 0 50 CCAA C[C@H]1C[C@@H](Cn2cnc3c(nnn3C)c2=O)C[C@@H](C)O1 901575739 QVMBKNMAOXQDOH-MYJAWHEDSA-N 277.328 0.729 0 50 CCAA Oc1ccc2c(c1)CN(C[C@H](O)C1(O)CCC1)CCO2 931064056 KWHSSTOIVFGQSQ-AWEZNQCLSA-N 279.336 0.863 0 50 CCAA C[C@H]1CN(CCn2cc([C@H](O)C3CC3)nn2)C[C@@H](C)O1 952882095 PFDLPWMIZZLFKY-UHIISALHSA-N 280.372 0.831 0 50 CCAA C=CC(=O)NC1(CNC(=O)c2cc(C)n(C)n2)CCC1 1875371303 WOWPKVHUIBJFHP-UHFFFAOYSA-N 276.340 0.683 0 50 CCAA O=C(N[C@@H]1CCc2ccccc21)[C@@H](O)CN[C@H]1CCOC1 1875308811 YRNNQFQDVPCZIA-CFVMTHIKSA-N 290.363 0.530 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H]1CCN(CC2CC2)C1 1875376040 WKRZZQAFMQODFQ-ITDFMYJTSA-N 251.374 0.705 0 50 CCAA Cn1nnc2c(=O)n(C[C@@H]3CCC4(CCC4)O3)cnc21 882175502 SDQFLMSCNKRKNY-VIFPVBQESA-N 275.312 0.627 0 50 CCAA O=C1CC[C@@H](C(=O)N2CC[C@H](Cc3nccs3)C2)N1 890207096 YPDKIOBVDMWMKM-ZJUUUORDSA-N 279.365 0.813 0 50 CCAA CC1(C)CO[C@H](CS(=O)(=O)NCCc2cn[nH]c2)C1 1775984851 TUZNWLDZLHGYFF-NSHDSACASA-N 287.385 0.687 0 50 CCAA CC(=O)NC[C@H]1CCC2(CN(C(=O)c3cocn3)C2)O1 965501216 CFMLKYXJIZIVLZ-SNVBAGLBSA-N 279.296 0.184 0 50 CCAA Cn1ccnc1CN1CCN(C[C@H]2CCOC2)CC1 171644809 ICZNLQQGQXYUJO-CYBMUJFWSA-N 264.373 0.574 0 50 CCAA COC[C@]1(C(=O)O)CCN(c2ccnc(N(C)C)n2)C1 312517796 CCRNXOSTYCCLSL-ZDUSSCGKSA-N 280.328 0.470 0 50 CCAA CCSC[C@@H](C)N1CCN(CC(=O)O)C(=O)C1 534658140 XVFIRFYKOQORPY-SECBINFHSA-N 260.359 0.357 0 50 CCAA CC1(C)Cc2c(sc3[nH]c(=O)n(N)c(=N)c23)CO1 100169098 JDSUYEIVYVTBBU-UHFFFAOYSA-N 266.326 0.436 0 50 CCAA Cc1ccc(S(=O)(=O)NCc2nnc(N)s2)cc1 50252 YKGREWFELUYSRN-UHFFFAOYSA-N 284.366 0.907 0 50 CCAA O=C(O)Cc1cc(CC(=O)O)cc(CC(=O)O)c1 1600348 AJEIBHNKBLRDNT-UHFFFAOYSA-N 252.222 0.568 0 50 CCAA CC(C)N1CCC[C@]2(CCCN2CC(N)=O)C1=O 2356161298 ORWWAJJHFPZUCM-CYBMUJFWSA-N 253.346 0.337 0 50 CCAA CSc1nc(Oc2ccc(O)nn2)nc(N(C)C)n1 8666844 XWCSVKAZIWCEGV-UHFFFAOYSA-N 280.313 0.947 0 50 CCAA COC[C@@H](O)CN(C)c1ncnc2oc(C)nc12 55403693 MYZHSCDFDDXHFG-QMMMGPOBSA-N 252.274 0.370 0 50 CCAA Cc1ccc(C(=O)O)cc1NC(=O)Cn1ccnn1 134827702 BAYQZERHKNJQQU-UHFFFAOYSA-N 260.253 0.923 0 50 CCAA COCCN1C[C@@H](C(=O)NCc2ccoc2)CC1=O 68118633 OAZRJEOMJLSDBM-NSHDSACASA-N 266.297 0.391 0 50 CCAA O=c1[nH]nc(CCNCc2nc(-c3ccco3)no2)[nH]1 67854926 VGPIRZVJLLUBOS-UHFFFAOYSA-N 276.256 0.073 0 50 CCAA Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@@H]1CCOC1)C2 67772749 QIWGZBUJVYZQHH-MRVPVSSYSA-N 279.296 0.040 0 50 CCAA NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H]1COc2ccccc2O1 252516621 VIDWPSPAWLBEGB-GBIKHYSHSA-N 290.319 0.597 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)CCOc1ccccc1 36236196 ZIBNTSSJEHYOSX-STQMWFEESA-N 264.325 0.559 0 50 CCAA Cn1nnnc1SCCn1cnc2ccccc2c1=O 32592958 LMXUZGZZLNETNZ-UHFFFAOYSA-N 288.336 0.712 0 50 CCAA Oc1nc(N2CCN(c3ncc[nH]3)CC2)nc2n[nH]cc12 357680270 LHRXKBGOCOEFDS-UHFFFAOYSA-N 286.299 0.108 0 50 CCAA CCn1nncc1C(=O)N1CCN[C@@H](c2cccnc2)C1 329160261 FCFDTZQVXUZJBG-GFCCVEGCSA-N 286.339 0.480 0 50 CCAA CCN(CC(F)(F)F)C(=O)c1cn(CCN)nn1 77386795 JVKLCAJGFXWYFZ-UHFFFAOYSA-N 265.239 0.261 0 50 CCAA N[C@@H](C(=O)NCC1(CCO)CCCC1)C1CCOCC1 261986116 MNIHZYDIOUJAFH-CYBMUJFWSA-N 284.400 0.799 0 50 CCAA Cc1ccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1 370855817 KDPAJZMOHZQZBO-NSHDSACASA-N 273.296 0.722 0 50 CCAA COC(=O)[C@@H](C)NC(=O)c1cc(=O)n(C)c2ccccc12 212515845 BZQTZALFOMHYDH-SECBINFHSA-N 288.303 0.830 0 50 CCAA COC(=O)CN(C)C(=O)c1cc2ccccc2c(=O)n1C 284982483 ACQMOAXGUYLRQS-UHFFFAOYSA-N 288.303 0.784 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2O)cc(C)n1 220084937 KFSNQZFWBSLQFG-VXGBXAGGSA-N 250.298 0.578 0 50 CCAA CCC(C)(C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 44330036 ZPYNOVFWLTUPPQ-JTQLQIEISA-N 276.402 0.963 0 50 CCAA COCCN1CCC[C@@H]1CNC(=O)c1cc(F)c[nH]1 339967416 XYKRRNLWPYGWMV-LLVKDONJSA-N 269.320 0.994 0 50 CCAA C[C@@H](C(=O)N1CC(c2ccncc2)C1)N1CCN(C)CC1 426502841 FGBQXPINTBXPIW-ZDUSSCGKSA-N 288.395 0.643 0 50 CCAA Cc1cc(CNC(=O)N(C)C[C@@H]2COCCO2)on1 426549216 VDKPNKGQBPNVSO-LLVKDONJSA-N 269.301 0.540 0 50 CCAA Cc1[nH]nc2ncc(C(=O)N3CC[C@@H](C(=O)O)C3)cc12 178268425 ANQQVKGJKYTOSN-MRVPVSSYSA-N 274.280 0.813 0 50 CCAA Cc1cc(=O)cc(C(=O)N[C@@H](CC(C)C)C(N)=O)n1C 426422726 CUWUKZJWFBSCOP-NSHDSACASA-N 279.340 0.324 0 50 CCAA CCC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C(=O)O 91818605 OSCQLXCIYVRYTD-GHMZBOCLSA-N 265.313 0.842 0 50 CCAA CCc1nc(CN2CCC[C@]3(C2)CN(C)C(=O)O3)n[nH]1 244724676 MYMDEHNUAQGBGH-CYBMUJFWSA-N 279.344 0.784 0 50 CCAA Cc1ccnc(C[C@@H](C)N(C)Cc2nc(C(N)=O)no2)c1 244715932 LEYUKAMQLIPVNB-SNVBAGLBSA-N 289.339 0.935 0 50 CCAA CC(=O)OC1(OC(C)=O)[C@@H]2[C@H]3C[C@@H]4[C@H]5[C@H]3[C@@H]1[C@@H]5C(=O)[C@@H]42 254384016 ITQKYDIBXXYCQW-MOTBKVKSSA-N 276.288 0.766 0 50 CCAA CC[C@@H](NC(=O)C1(C)COC1)c1ncnn1CC 534590263 NTJIOFQBQISHRP-SECBINFHSA-N 252.318 0.902 0 50 CCAA C[C@H](Oc1ccc(F)cc1F)C(=O)NCc1nc(N)n[nH]1 534633651 DFEXMIJXIAKUDJ-LURJTMIESA-N 297.265 0.749 0 50 CCAA CC1=NO[C@](C)(C(=O)N2CCc3c(O)nc(C)nc3C2)C1 299755833 FNYATPOUSAOAIJ-AWEZNQCLSA-N 290.323 0.930 0 50 CCAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1cnn[nH]1)C2 299781080 HJCKQSGDTKXYGM-VIFPVBQESA-N 288.307 0.794 0 50 CCAA COCCN1C[C@@H](CN(C)CCc2cn[nH]c2)CC1=O 299775213 AQGCPPPBNZPCAL-CYBMUJFWSA-N 280.372 0.379 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3COC3)n[nH]c21 1857529250 BQZHOMZKJBPRSP-RQJHMYQMSA-N 251.286 0.561 0 50 CCAA CCCN1CCC[C@H](NC(=O)c2[nH]nnc2C)C1 584898906 OHTVWJQOSBVRCL-JTQLQIEISA-N 251.334 0.717 0 50 CCAA Cc1nncn1CCN1C[C@H](O)[C@@H](N2CCCCC2)C1 828896795 QUEDHKSTTUXQDY-KBPBESRZSA-N 279.388 0.118 0 50 CCAA CC(=O)NC(C)(C)C[C@H](C)NCC1(O)CCN(C)CC1 584899749 LRKRTLLLXRWKBZ-LBPRGKRZSA-N 285.432 0.726 0 50 CCAA CCN1CCCC[C@@H]1CNC(=O)c1cncc(=O)[nH]1 584896862 VVSHFRNNPXWNFJ-SNVBAGLBSA-N 264.329 0.374 0 50 CCAA CCOCC1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 670461081 WGHXGZYTRNAQEN-LBPRGKRZSA-N 289.397 0.696 0 50 CCAA O=C(N[C@@H]1C[C@H](C(=O)O)C[C@@H]1n1ccnn1)C1CCC1 685940879 YMVJDFLOGHFCAC-AXFHLTTASA-N 278.312 0.599 0 50 CCAA CCn1cccc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)c1=O 1553495547 SKVATDYAWKVRQV-WFASDCNBSA-N 290.367 0.501 0 50 CCAA Cc1nn(C)c(C)c1NS(=O)(=O)c1cn(C)c(C)n1 408001909 CMSSEWKMARZAAP-UHFFFAOYSA-N 283.357 0.880 0 50 CCAA C[C@H](NC(=O)Cn1cc(C2CC2)nn1)[C@@H](C)CO 305445445 PBTMVCSDPATBJP-IUCAKERBSA-N 252.318 0.289 0 50 CCAA NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@]1(F)CCNC1 408519322 ZBZCJEJQJPZFSU-DOMZBBRYSA-N 291.326 0.127 0 50 CCAA Cc1cc(-c2nc(CS(=O)(=O)NC3CC3)no2)n[nH]1 278267139 SUQPPQUAXOPQET-UHFFFAOYSA-N 283.313 0.350 0 50 CCAA C[C@@H]1CN(C(=O)Cc2cnn3c2CCCC3)C[C@@H](C)N1 637839131 GYMOBEAXFQKREC-VXGBXAGGSA-N 276.384 0.971 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2cccn2C)C1 643754861 HKJQIVOSKOUSHM-OAHLLOKOSA-N 279.384 0.830 0 50 CCAA CN1CCN(C(=O)c2ccnc(Cl)c2)[C@@H](CN)C1 195543044 YLIOVYYBRYLKEG-JTQLQIEISA-N 268.748 0.450 0 50 CCAA COC(CN1CCC[C@@H](N2CCCC2=O)C1)OC 195572060 DSYRMXSZCPRRQT-LLVKDONJSA-N 256.346 0.692 0 50 CCAA C[C@H](c1noc(C(N)=O)n1)n1cc(Br)cn1 904101018 WDVNICHDAVRPJN-SCSAIBSYSA-N 286.089 0.737 0 50 CCAA CN1CCCCC[C@H]1C(=O)N1CCO[C@]2(CCNC2)C1 1857704571 XQFGGBZAQLOFNK-ZFWWWQNUSA-N 281.400 0.452 0 50 CCAA Cc1cccc(OCC(=O)Nc2nnn(C)n2)c1C 558093 ASGIGKKRONGCEA-UHFFFAOYSA-N 261.285 0.844 0 50 CCAA N[C@H]1CCN(C(=O)c2ccccc2N2CCCC2)C[C@@H]1O 212070647 BZJFMQPODXFTMW-ZFWWWQNUSA-N 289.379 0.821 0 50 CCAA COC[C@@H]1CN(Cc2cn(C)nn2)CC(C)(C)O1 408031865 XZPNMFILRLVECU-NSHDSACASA-N 254.334 0.441 0 50 CCAA CN(C[C@@H]1CCOC1)C(=O)c1cc(O)cc(O)n1 611999986 QIOQGFPLOXEQMQ-QMMMGPOBSA-N 252.270 0.601 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2CNS(=O)(=O)[C@H]2C1 110915487 REYRCSJRCYPTTR-YUMQZZPRSA-N 262.331 0.155 0 50 CCAA Cc1ncc(S(=O)(=O)NC[C@]2(O)CCO[C@H]2C)s1 228077620 IZLIJBOHQITSHB-OIBJUYFYSA-N 292.382 0.270 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H](C)C1CCOCC1 860102947 JAVLIVIBQTYWNG-SNVBAGLBSA-N 254.330 0.562 0 50 CCAA CN1C[C@@H](CN2CCC(CCO)CC2)CCC1=O 1772812057 HBZOXDLACLSXRE-ZDUSSCGKSA-N 254.374 0.949 0 50 CCAA CC(C)CC(=O)N1CCN(CC[C@@H]2COCCO2)CC1 1775981373 RITMQKBJDLAUSB-CQSZACIVSA-N 284.400 0.982 0 50 CCAA COCCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O 6661069 ZYLMBRLJYOMMJB-UHFFFAOYSA-N 292.295 0.204 0 50 CCAA O=C(NC1CCN(C(=O)C2CC2)CC1)c1cccnc1O 641529234 JBDRXYYXSJUZGH-UHFFFAOYSA-N 289.335 0.918 0 50 CCAA Cc1cc(C)c(C(=O)N2CC[C@](O)(Cn3ccnn3)C2)o1 671499150 CWYNDUFUTCFXRO-CQSZACIVSA-N 290.323 0.765 0 50 CCAA O=C(O)[C@H]1CCCN(C(=O)CCOC[C@H]2CCCO2)C1 262508730 ZZADRDSFYUNBEA-NWDGAFQWSA-N 285.340 0.895 0 50 CCAA CCn1ncc(C(=O)NCCc2c(C)nn(C)c2C)n1 814985799 SNXIAEFOJQXITM-UHFFFAOYSA-N 276.344 0.621 0 50 CCAA CS(=O)(=O)c1cnn(Cc2nc(CC3CC3)no2)c1 901606805 VMOOJJGKYXQGQP-UHFFFAOYSA-N 282.325 0.670 0 50 CCAA Cc1cccc(C2(C(=O)NCC(=O)NCC(=O)O)CC2)c1 910332306 XACGACTZKJSHFG-UHFFFAOYSA-N 290.319 0.344 0 50 CCAA CC(C)[C@H](O)CC(=O)N1CCC[C@@H](c2nc(O)n[nH]2)C1 843877227 DCWLIYJOJPJRDU-NXEZZACHSA-N 282.344 0.623 0 50 CCAA C=CC(=O)N1CCC(N2CCCS2(=O)=O)CC1 863971421 SLDRXGQRERTVGB-UHFFFAOYSA-N 258.343 0.199 0 50 CCAA CCn1cnc(C(=O)NCc2c[nH]nc2[C@H]2CCNC2)c1 952850363 LPZZMCDWHSELDM-JTQLQIEISA-N 288.355 0.633 0 50 CCAA COC[C@H](NC(=O)c1cnn(C2CCCC2)c1)C(N)=O 1875280414 GKDQAAGYFOGPTA-NSHDSACASA-N 280.328 0.228 0 50 CCAA Cc1cn(C)nc1C(=O)N[C@@]1(c2ncc[nH]2)CCOC1 886097155 XBVWRGPUAITTIA-ZDUSSCGKSA-N 275.312 0.497 0 50 CCAA C[C@@](Cn1cccn1)(NC(=O)C1CCCCC1)C(N)=O 889646213 HQXBFMUUGHFDNB-AWEZNQCLSA-N 278.356 0.824 0 50 CCAA C=CC(=O)NC[C@H]1CN(c2nc3ncccc3o2)CCO1 1775997430 HODWJEHNUOQBOY-JTQLQIEISA-N 288.307 0.730 0 50 CCAA C[C@]12CCC(=O)N1[C@@H](C(=O)NC[C@H]1CCCO1)CS2 252444295 VBTYGRFYSXTRIB-BREBYQMCSA-N 284.381 0.736 0 50 CCAA COc1ccc(CCCNC(=O)[C@H]2C[C@@H](O)CN2)cc1 276682541 TTXCULNRYFXUEA-TZMCWYRMSA-N 278.352 0.467 0 50 CCAA C[C@H]1CNCCN1C(=O)Cc1cn2ccccc2n1 178494959 MPAKAIWUCWTBPJ-NSHDSACASA-N 258.325 0.697 0 50 CCAA CO[C@@H](C)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 192991445 DSOOARIDYQAJLU-ZETCQYMHSA-N 255.274 0.676 0 50 CCAA Cc1cc(C)cc(S(=O)(=O)NC[C@H]2CNCCOC2)c1 72479376 KRMIQXQOVQLHRN-CYBMUJFWSA-N 298.408 0.818 0 50 CCAA COC[C@]1(C(=O)O)CCN(C(=O)C2CC=CC2)C1 310979253 SSTCXQJAIDBQKY-ZDUSSCGKSA-N 253.298 0.902 0 50 CCAA COC(=O)c1cnc(N2C[C@H](C)N(C)C[C@H]2C)nc1 408106716 ZGKQQDOPRUCFKT-VHSXEESVSA-N 264.329 0.792 0 50 CCAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1CCS(=O)(=O)C1 426368481 ZSWXVWDPNWWXOX-NSHDSACASA-N 299.396 0.510 0 50 CCAA CC(C)[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)O)O2)CCO1 683337021 FUXLLDYKXYTCAK-MXWKQRLJSA-N 271.313 0.502 0 50 CCAA C[C@]1(C(=O)O)CN(c2ccc3nccnc3n2)CCO1 711505012 FCLPFWCFYJTTNI-CYBMUJFWSA-N 274.280 0.705 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(C(=O)O)n(C)n1 725222551 GHXNOVCHMMQSOS-UHFFFAOYSA-N 299.312 0.259 0 50 CCAA CN1CCCC[C@@H](CNC(=O)NCc2ccc(O)nn2)C1 895081531 XKNQZUCHFDSRMT-NSHDSACASA-N 293.371 0.713 0 50 CCAA Cn1[nH]c(C(=O)NC2CCC3(CC2)C[C@@H]3N)cc1=O 2332237528 BXKBOOAINPWEDZ-SLYADPJGSA-N 264.329 0.103 0 50 CCAA NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 270016 KNOANJDBMHJVOT-SECBINFHSA-N 286.328 0.712 0 50 CCAA Nc1c(Br)c(=O)[nH]c(=O)n1Cc1ccccc1 339374 MKHMQYHCJPMREC-UHFFFAOYSA-N 296.124 0.930 0 50 CCAA in-vitro CC(=O)N1CCC[C@@H](c2nnc3n2CCNCC3)C1 2356155754 LXTKHDALOUMRPQ-LLVKDONJSA-N 263.345 0.150 0 50 CCAA CC(C)[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 4762523 VEYJKJORLPYVLO-NEPJUHHUSA-N 280.324 0.487 0 50 CCAA endogenous,in-man O=C([C@H]1CC(=O)N(C2CC2)C1)N1CC(OC(F)F)C1 518675269 QGQSQNIQWYOMNB-ZETCQYMHSA-N 274.267 0.447 0 50 CCAA O=C(CCc1ccncc1)N[C@H]1CCCCNC1=O 54002848 XSTBOCXNJSFATF-LBPRGKRZSA-N 261.325 0.799 0 50 CCAA O=S(=O)(N1CCCCCC1)N1CC[C@@H](CO)C1 51886029 DXZCUMFHQZFYRP-LLVKDONJSA-N 262.375 0.421 0 50 CCAA CC(=O)N[C@@H](C)C(=O)NCCCOC1CCCC1 61259647 WRYMMVGUHABZRS-JTQLQIEISA-N 256.346 0.977 0 50 CCAA Cc1cc(C)cc(N2CCN(C(CO)CO)CC2=O)c1 65426444 GFFGIJHQSMXZBC-UHFFFAOYSA-N 278.352 0.305 0 50 CCAA CCc1cnc(CNC(=O)[C@@H]2C[C@H](OC)CN2C)o1 330560024 JHIKMAKSPKWTGY-QWRGUYRKSA-N 267.329 0.572 0 50 CCAA C[C@H](C(=O)N[C@H]1CCN2CCCC[C@@H]12)S(C)(=O)=O 229445109 MKNCEXREFDWOFL-VWYCJHECSA-N 274.386 0.163 0 50 CCAA O=C1CCC(=O)N1CCSC(=S)N1CCOCC1 241080 RRRBUTCOOZZQLH-UHFFFAOYSA-N 288.394 0.486 0 50 CCAA biogenic Cc1cc(C)n(CCCN(C)C[C@]2(O)CNCCOC2)n1 77518691 ZGPWGVRJRAKNTO-OAHLLOKOSA-N 296.415 0.173 0 50 CCAA C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CC[C@@H]1N 429128290 MTZRLSUGBNFEBB-KOLCDFICSA-N 289.335 0.827 0 50 CCAA COCCn1nnc2c1CCN(C[C@@H]1CC[C@@H](C)O1)C2 328801082 ZASRKBLLHIVQIL-NEPJUHHUSA-N 280.372 0.850 0 50 CCAA C[C@@H]1CN(C2CCN(C(=O)c3cc[nH]n3)CC2)CCO1 363050307 AVHCWTBYGISIJD-LLVKDONJSA-N 278.356 0.735 0 50 CCAA COc1ncccc1CN1C[C@H](OC)C[C@H]1CO 366925273 KTOJXRHGBKHULV-NWDGAFQWSA-N 252.314 0.672 0 50 CCAA C[C@@H](C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1)S(C)(=O)=O 261741446 MTGFUVBIXPYLEZ-WCFLWFBJSA-N 296.392 0.373 0 50 CCAA CN(C)S(=O)(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 372289966 TUSLKDCLEPMPPI-ZDUSSCGKSA-N 295.364 0.389 0 50 CCAA Cc1cccc(C(=O)N2CCNC[C@H](CC(=O)O)C2)n1 71681949 CYZYYJOSDLCDHU-NSHDSACASA-N 277.324 0.526 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2cccc3c2OCCO3)C1 284585648 OKVJYYWHFOAVRL-RYUDHWBXSA-N 292.335 0.532 0 50 CCAA COC[C@@H]1CN(C(=O)c2ccon2)CC(C)(C)O1 285609960 VGUVFZZTJMENLO-VIFPVBQESA-N 254.286 0.941 0 50 CCAA CC1(CC(F)(F)F)CN(C(=O)[C@@H]2CCNC2=O)C1 606444686 NECGDQQOGLYGDC-SSDOTTSWSA-N 264.247 0.923 0 50 CCAA CCn1ncc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)n1 527921156 LCGVMYXANGTGPQ-VXGBXAGGSA-N 286.401 0.743 0 50 CCAA CCN(C)C(C)(C)CNC(=O)c1nnc2nc(C)ccn12 426383151 SECVNZNDDCLCDB-UHFFFAOYSA-N 290.371 0.893 0 50 CCAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@H]2CC=CCC2)n1 223848759 ZHPWQIGGEMBCSD-NSHDSACASA-N 276.340 0.963 0 50 CCAA O=C(NCc1cccs1)NC[C@@]1(O)CCCNC1 426512282 ORLCCHUMLWFQRJ-GFCCVEGCSA-N 269.370 0.662 0 50 CCAA O=C(Nc1cc(F)cc(F)c1)N1CC[C@@](O)(CO)C1 96153899 WHDXTGXZMSYWRB-LBPRGKRZSA-N 272.251 0.926 0 50 CCAA C[C@H](C(=O)NCCOCCO)n1cc(Cl)cn1 426730573 XAIRAPTUXABADQ-MRVPVSSYSA-N 261.709 0.223 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(c4cccnc4)C(=O)[C@H]13)O2 239377538 OBRIIHPXQLEJSC-ZHPDPMBESA-N 272.260 0.453 0 50 CCAA CCc1nc(C)c(C(=O)NCc2nnn[nH]2)s1 97179306 RLKKXZGJKSVGDE-UHFFFAOYSA-N 252.303 0.457 0 50 CCAA COc1cc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cc(C)n1 299746729 ZKGOZFCVLKVCDL-ZJUUUORDSA-N 281.287 0.437 0 50 CCAA C[C@H](Cn1cncn1)NCC1(Cn2cccn2)CC1 534652385 NZANFPAZBMJNCI-GFCCVEGCSA-N 260.345 0.933 0 50 CCAA O=C(O)CCC(=O)NC[C@H](CO)Cc1ccsc1 534586259 DQVYZVGKNNCJNT-SNVBAGLBSA-N 271.338 0.880 0 50 CCAA Cc1n[nH]nc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 299772617 AMDRVDMWCCDCEJ-GFCCVEGCSA-N 293.371 0.486 0 50 CCAA Cn1cncc1C(=O)NCCc1noc(C2CC2)n1 584885959 ACVVATVOUOYSQQ-UHFFFAOYSA-N 261.285 0.653 0 50 CCAA C[C@@H]1CCc2[nH]nc(C(=O)NCCc3cnn[nH]3)c2C1 584884547 FQULJASQGYVIGI-MRVPVSSYSA-N 274.328 0.625 0 50 CCAA CCc1noc(CNC(=O)[C@@H]2CSC(C)(C)C(=O)N2)n1 584895551 IPBVLWUVSDDKFE-ZETCQYMHSA-N 298.368 0.258 0 50 CCAA COc1nc(N2C[C@H](O)[C@@H](N3CCCC3)C2)ncc1F 670436147 RJRRZLFENCONIZ-QWRGUYRKSA-N 282.319 0.270 0 50 CCAA CC(C)c1cnc(N2C[C@H](O)[C@@H](N(C)C)C2)nc1 670471856 ZMHGXMXPCWQRHJ-RYUDHWBXSA-N 250.346 0.711 0 50 CCAA Cc1nnc(CN2CCC3(CC2)CN(C)C(=O)CO3)s1 670440846 XDYWWYIQPBKIDY-UHFFFAOYSA-N 296.396 0.670 0 50 CCAA CCCc1nc(CN(C)S(=O)(=O)c2cn(C)cn2)no1 670439060 MUIARFJLWFCLND-UHFFFAOYSA-N 299.356 0.576 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2cn[nH]c2)C[C@H]1O 1529167422 IYNRWGXOVAKJBY-DGCLKSJQSA-N 267.329 0.395 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1n[nH]c2c1CCCC2 1565516436 KIHSGUBSYBTUMQ-QWRGUYRKSA-N 288.351 0.838 0 50 CCAA O=C(NCc1nc2c([nH]1)CCCC2)c1ccc(O)nn1 1472063763 ABZBGLWYPJOUMF-UHFFFAOYSA-N 273.296 0.714 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N(C)CC2(O)CCCC2)N(C)C1 408043513 POOWPPYMIQTZBA-RYUDHWBXSA-N 270.373 0.469 0 50 CCAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2nc[nH]n2)cn1 275459672 RUOMTYDZYKCXJJ-GXSJLCMTSA-N 289.295 0.468 0 50 CCAA CC1(C)NC(=O)CC[C@H]1NC(=O)c1cccc2nn[nH]c12 670148739 MMEUGCOXPVHNKJ-SNVBAGLBSA-N 287.323 0.745 0 50 CCAA Cc1conc1C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C 633022775 KUJLZWTZQYAERS-NWDGAFQWSA-N 279.340 0.918 0 50 CCAA CC(C)CN1CCN(Cc2cncn2C)CC1=O 187074579 JPKRXGHWLAGFOV-UHFFFAOYSA-N 250.346 0.720 0 50 CCAA O=C(O)[C@@H]1CC[C@H](S(=O)(=O)N2CCSCC2)C1 712782362 STQRLRFJCDNUHT-BDAKNGLRSA-N 279.383 0.618 0 50 CCAA COC(=O)c1nc(=NCc2n[nH]cc2C)cc(C)[nH]1 716499691 CMDVYBVYCUZETC-UHFFFAOYSA-N 261.285 0.637 0 50 CCAA NC[C@@H]1CCCN1S(=O)(=O)C[C@H]1CCCCO1 246468735 FWDSEBJALBUVOX-WDEREUQCSA-N 262.375 0.308 0 50 CCAA OC[C@@H](O)C1CCN(Cc2nc(C(F)(F)F)no2)CC1 1772704738 DSWGVZJGPSEUAC-MRVPVSSYSA-N 295.261 0.654 0 50 CCAA CC[C@](O)(CCCO)CNc1nccnc1OC 1506425105 CLSVDTBXHQIMOU-LBPRGKRZSA-N 255.318 0.811 0 50 CCAA CN1C[C@H](CN(C)c2ccc(C(=O)O)nn2)CC1=O 1506423765 ILIBZJVABAGSNJ-QMMMGPOBSA-N 264.285 0.089 0 50 CCAA CCc1nc(CCNC(=O)c2ccc(N)nc2)no1 219001752 ZEXHQNSMJKYRAX-UHFFFAOYSA-N 261.285 0.582 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccnc1 225644593 WKVLWXBEDYOYLD-CHWFTXMASA-N 260.249 0.674 0 50 CCAA CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccn1 311679537 BBVBFCDOHXKIAA-UHFFFAOYSA-N 288.325 0.485 0 50 CCAA O=C(O)[C@]12CN(c3ncc(Cl)cn3)C[C@@]1(C(=O)O)C2 1704324992 BMMOMCXXVAICNQ-PHIMTYICSA-N 283.671 0.496 0 50 CCAA Cc1cc(C[C@@H]2CN(CCN3CCCC3=O)C[C@H]2O)n[nH]1 1704298752 JZUBMPICAPPVTP-TZMCWYRMSA-N 292.383 0.176 0 50 CCAA OC[C@]12CNC[C@H]1CN(CCc1ccc(O)cc1)C2 1772710696 NYUUBRMVMGWOCP-DZGCQCFKSA-N 262.353 0.448 0 50 CCAA Cc1cccc(CC(=O)N2C[C@@H]3[C@@H](C2)C3(CO)CO)c1 1772707010 XMBWWODKKAAGRZ-ZIAGYGMSSA-N 275.348 0.597 0 50 CCAA CC(C)[C@H]1CN2C[C@@H](NC(=O)c3cnn(C)c3)C[C@H]2CO1 1857730169 KZQOCHYXVSKWLQ-MELADBBJSA-N 292.383 0.648 0 50 CCAA CC(=O)NCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 220577491 FGXRHWAKSXZWJX-VWYCJHECSA-N 268.313 0.367 0 50 CCAA O=C(c1cc2n(n1)CCCO2)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 329900372 NSQIFUDIKNXRRU-YRRQLQLVSA-N 289.335 0.915 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@](C)(C(=O)O)C1 237718078 UGEVYVKSOHXFFF-CQSZACIVSA-N 295.339 0.739 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CCN1Cc1ccc(OC)nc1 247904576 RZBJDTWKROAYMD-NEPJUHHUSA-N 280.324 0.589 0 50 CCAA O=C(O)[C@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@@]23C=C[C@H]1O3 138705130 SZDGAPWYJPRMQH-BIAAXOCRSA-N 263.293 0.796 0 50 CCAA in-vitro Cn1nnnc1CN1CCO[C@]2(CCc3ccccc32)C1 366794865 AOCPACXAVWAAPI-OAHLLOKOSA-N 285.351 0.884 0 50 CCAA CSC[C@H](C)C(=O)N1CC[C@H](c2cc(O)nc(=N)[nH]2)C1 585131509 XQMXZYCVUBEXTD-IUCAKERBSA-N 296.396 0.910 0 50 CCAA C[C@@H](NC(=O)C(=O)c1cnn(C)c1)[C@@H](O)c1ccccc1 811540670 ZCXAGORVNAIJFR-ZWNOBZJWSA-N 287.319 0.841 0 50 CCAA Cc1cncn1CC(=O)NC[C@H](C(=O)O)C1CCOCC1 864281692 WUPWIFBAELVQDM-LBPRGKRZSA-N 295.339 0.435 0 50 CCAA N[C@@H]1CN(c2ncc(Cl)cn2)C[C@@H]1n1ccnn1 952887111 HWELINCMELIXEV-BDAKNGLRSA-N 265.708 0.110 0 50 CCAA C[C@H]1[C@@H](O)CN1C(=O)CCc1nc(-c2ccoc2)no1 1875318385 IDYSVDAFAJFMJL-WPRPVWTQSA-N 277.280 0.854 0 50 CCAA C=CC(=O)N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 1875367986 GPYKRLPKGKXVMU-JTQLQIEISA-N 270.329 0.925 0 50 CCAA Cn1nnc2c1CC[C@H](Nc1nccn3cncc13)C2 894432652 SRBNPUAQPWTVLN-VIFPVBQESA-N 269.312 0.827 0 50 CCAA CCN(CC)C(=O)N1Cc2nn(C)cc2[C@@H]1C(=O)OC 1775993278 PMNHVAKXWBPNII-LLVKDONJSA-N 280.328 0.912 0 50 CCAA CCC(=O)N1CCc2[nH]cc(C(=O)OC)c(=O)c2C1 1776005257 CCKLCCKUNRIZME-UHFFFAOYSA-N 264.281 0.456 0 50 CCAA C[C@@H]1C[C@H](C(=O)N2CCOC[C@@H]2CC(=O)O)CCO1 257708722 QXVMFBBSRISWHT-MXWKQRLJSA-N 271.313 0.504 0 50 CCAA O=C(c1cnn2c1CCCC2)N1CCOC[C@@H](O)C1 77377687 SFUDVTBHUDSUIP-JTQLQIEISA-N 265.313 0.053 0 50 CCAA NCC[C@@H]1CN(Cc2cccc(C(=O)O)c2)CCO1 426545005 ICISXYSYWORZSZ-CYBMUJFWSA-N 264.325 0.934 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)Cc2cccs2)C1 630247985 BPRVCPNSDPPMCK-LBPRGKRZSA-N 269.322 0.993 0 50 CCAA CC(C)[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)O)O2)CCO1 683337020 FUXLLDYKXYTCAK-DCAQKATOSA-N 271.313 0.502 0 50 CCAA O=C(CCc1cn[nH]c1)N1CCN2C(=O)OC[C@@H]2C1 863899077 ZSOVZCUMTLIUSX-JTQLQIEISA-N 264.285 0.005 0 50 CCAA Cn1nnc(C(=O)N2CC[C@H]3CC[C@@]32CN)c1C(F)F 2325792251 PVKGYXKVSDOBBO-JMCQJSRRSA-N 285.298 0.706 0 50 CCAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N(C)OC 871791136 LELSNGJJULHIKE-UHFFFAOYSA-N 289.309 0.504 0 50 CCAA Cc1ccc(C(=O)O)cc1S(=O)(=O)NCCCO 2671178 SNFOXRKQZYERQP-UHFFFAOYSA-N 273.310 0.354 0 50 CCAA O=c1c2cnc3ncnn3c2ccn1Cc1cccnc1 8990875 GBCCLPJHZGOQEV-UHFFFAOYSA-N 278.275 0.883 0 50 CCAA Cc1noc(CCNC(=O)c2ccc(C(=O)O)o2)n1 225887511 NOGSODZFIJOZKO-UHFFFAOYSA-N 265.225 0.642 0 50 CCAA O=C1C[C@H](N2CCOCC2)C(=O)N1C1CCCCC1 101129524 FIQPBTUGSJTEIR-LBPRGKRZSA-N 266.341 0.779 0 50 CCAA Cn1cnnc1SCC(=O)NC[C@H]1CCCCO1 20863088 NZAGDBHTNSCDNH-SECBINFHSA-N 270.358 0.593 0 50 CCAA CCOC(=O)CN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100068614 QACWMXBUFFUDHL-NSHDSACASA-N 294.282 0.610 0 50 CCAA biogenic O=C(NCCOCCO)Nc1cccnc1Cl 170699958 XUZINOXBUKLGDP-UHFFFAOYSA-N 259.693 0.865 0 50 CCAA CN1CCC[C@@H](CNC(=O)NC[C@H]2CCCO2)C1 247114834 KXXIMSJKARLUEM-NWDGAFQWSA-N 255.362 0.806 0 50 CCAA CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(Cl)c[nH]2)C1 310163222 RQDKCCCXNFUDEM-IUCAKERBSA-N 258.705 0.890 0 50 CCAA CCc1csc(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)n1 67654398 FZAZEEOLGWSTJR-UHFFFAOYSA-N 280.309 0.012 0 50 CCAA CNC(=O)CNC(=O)Cc1c[nH]c2cccc(C)c12 171430348 VMFDKNIYCLXSGX-UHFFFAOYSA-N 259.309 0.881 0 50 CCAA O=C1CCCN1CCC1CCN(C[C@H](O)CO)CC1 65409944 ATNNQYZNHZSMGA-ZDUSSCGKSA-N 270.373 0.064 0 50 CCAA C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)[C@H]1CCOC1 353099069 UQRRFUCLRZVNMY-AGIUHOORSA-N 290.429 0.815 0 50 CCAA CC[C@@H](C)[C@H](O)CNC(=O)c1cc(C(=O)OC)on1 252484104 FOVIFQBJCYPTOM-VXNVDRBHSA-N 270.285 0.598 0 50 CCAA CN(CC(=N)O)C[C@@H]1CN(CC(F)(F)F)CCO1 328586580 HRYBSXQQYJOTBC-MRVPVSSYSA-N 269.267 0.717 0 50 CCAA O=C(C1=CCCC1)N1CCN(c2cncc3ncnn23)CC1 328635607 NMLPPRBYQPVQRG-UHFFFAOYSA-N 298.350 0.883 0 50 CCAA CC(C)N(C)Cc1nc(C(C)(C)NS(C)(=O)=O)no1 330897035 LYJYJAUFCIUZAY-UHFFFAOYSA-N 290.389 0.694 0 50 CCAA CCc1cc(NC[C@H]2CCS(=O)(=O)C2)nc(N(C)C)n1 32578143 AVHCFUNOXFAWPC-SNVBAGLBSA-N 298.412 0.952 0 50 CCAA NC(=O)[C@@H](Cc1ccccc1)NC(=O)CC[C@@H]1CCNC1 261874927 RRQAWIXSZQSZOT-ZIAGYGMSSA-N 289.379 0.589 0 50 CCAA O[C@H]1COCCN(Cc2cccc(N3CCOCC3)c2)C1 77472478 QNLHINNWNNEPJZ-MRXNPFEDSA-N 292.379 0.716 0 50 CCAA C[C@H](C[C@@H](O)c1ccccc1)NC(=O)[C@H]1CN(C)CCO1 239367401 AINQGTKAACKXOC-BPLDGKMQSA-N 292.379 0.945 0 50 CCAA C[C@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)[C@H]1C[C@H]2CC[C@H]1C2 239654502 BOCPXXOZMORPPI-JZRPKSSGSA-N 295.383 0.707 0 50 CCAA Cc1ccc(O)c(C(=O)N2CC[C@H](O)[C@@H](O)C2)c1 72153964 LYLJXSIEFYFEMK-RYUDHWBXSA-N 251.282 0.268 0 50 CCAA O=C(CN1CCOCC1)N1CCN(c2cccnc2)CC1 219966258 BFGTZQGUQLJLGV-UHFFFAOYSA-N 290.367 0.062 0 50 CCAA C[C@H]1CC[C@@H](CCC(=O)Nc2cnn(CC(N)=O)c2)O1 175463562 IIHIXSCOPHAFAU-ONGXEEELSA-N 280.328 0.655 0 50 CCAA CCO[C@@H](C)C(=O)N1CCC(n2cnnc2)CC1 426535703 LEVSTDWYGBNSAH-JTQLQIEISA-N 252.318 0.867 0 50 CCAA CC(C)NC(=O)CNC(=O)NCc1nc(C(C)C)no1 426362118 ZFFWJANYZQJKLS-UHFFFAOYSA-N 283.332 0.517 0 50 CCAA Cc1nonc1CC(=O)N[C@@H](C)c1cn2ncsc2n1 223882170 BRYVSZGZSPANDF-LURJTMIESA-N 292.324 0.902 0 50 CCAA Cc1cnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nc1N 43103041 NAZCMQGWBDVJQQ-NSHDSACASA-N 291.355 0.195 0 50 CCAA CNc1cc(C)nc(N2CCC3(CC2)[C@@H](O)C[C@H]3O)n1 91943390 SMCVFBSYTFRZLV-PHIMTYICSA-N 278.356 0.539 0 50 CCAA CNC(=O)[C@H]1CCCN(c2ccc(C(=O)O)nn2)C1 232289604 RDNWUXQCEIEOLQ-QMMMGPOBSA-N 264.285 0.137 0 50 CCAA CN[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 178596263 MKMZPLLHFPVRNA-KGLIPLIRSA-N 261.369 0.939 0 50 CCAA CC(C)c1ncc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)cn1 97360143 HLLKTTPIVYWXHI-SNVBAGLBSA-N 281.337 0.641 0 50 CCAA Cc1nn(C)c2nc(N[C@H](C)c3n[nH]c(=O)[nH]3)sc12 95516476 FQCUHWJRNGLLFD-RXMQYKEDSA-N 279.329 0.923 0 50 CCAA O=C(NC[C@H]1CC[C@@H](CO)O1)c1ccc2[nH]c(=O)[nH]c2c1 293757621 CIITUPOXXPCJNJ-ZJUUUORDSA-N 291.307 0.126 0 50 CCAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1nccc(C)n1)C2 95389049 NUSBAKHOESJYBA-QWHCGFSZSA-N 290.367 0.859 0 50 CCAA Cc1c(C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)cnn1C 343196987 ABBJNDKALFVQPG-NSHDSACASA-N 299.396 0.625 0 50 CCAA CN(C)C(=O)[C@@H]1CN(C(=O)CCCN2CCCC2)CCO1 827789289 DWMWTBJKPUQNRQ-ZDUSSCGKSA-N 297.399 0.178 0 50 CCAA Cc1ncn(C)c1C(=O)N(C)CC1CCN(CCO)CC1 584896566 YQTDECMGVQDGAE-UHFFFAOYSA-N 294.399 0.505 0 50 CCAA Cc1nn(CCNC(=O)N2CCCNC(=O)C2)c(C)c1C 584884838 DXLWWXZWFIXCGW-UHFFFAOYSA-N 293.371 0.340 0 50 CCAA CNS(=O)(=O)CCN[C@H]1CCN(c2ccccc2)C1 682189556 ZSLDMFPNWXYFPS-LBPRGKRZSA-N 283.397 0.404 0 50 CCAA O=C1NCC[C@H]1NC(=O)C1(N2CCCC2)CCCCC1 952991050 OIUTZFFYJKBJHD-GFCCVEGCSA-N 279.384 0.790 0 50 CCAA N[C@H](c1nccs1)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958528707 ZRRYDPCHENXODQ-OCKNEMTGSA-N 288.394 0.614 0 50 CCAA COCC(=O)Nc1cc(-n2cnnc2)ccc1OC 952872147 KZVFOLUTERIUFZ-UHFFFAOYSA-N 262.269 0.861 0 50 CCAA NC(=O)[C@H]1CN(C[C@@H](O)c2ccccc2Cl)CCO1 222052192 VLBUDQBDNNHDPA-VXGBXAGGSA-N 284.743 0.560 0 50 CCAA COC[C@H]1CN(c2ncnc(N)c2Cl)C[C@H](C)O1 277964034 YNROIYLBRWBXOR-JGVFFNPUSA-N 272.736 0.952 0 50 CCAA COc1ncc(C)cc1NC(=O)N[C@]1(CO)CCOC1 273494889 OZQNKGDFDJVIRW-ZDUSSCGKSA-N 281.312 0.672 0 50 CCAA Cc1cnc(C)c(NC[C@H]2CCCN2S(C)(=O)=O)n1 273874093 PHGHDPJLIZERJG-LLVKDONJSA-N 284.385 0.929 0 50 CCAA Cn1cc(C(=O)NCCc2nc(=O)o[nH]2)c(C(C)(C)C)n1 279911274 AKIFNXGDRKDPJM-UHFFFAOYSA-N 293.327 0.366 0 50 CCAA NC[C@]1(C(=O)N2CCC(c3cnc[nH]3)CC2)CCCOC1 638117389 LITAJUDDKWKWJX-OAHLLOKOSA-N 292.383 0.871 0 50 CCAA CN(CC(=O)OCc1cc(Cl)ccn1)S(C)(=O)=O 584906628 LFMCETYNHZJYJJ-UHFFFAOYSA-N 292.744 0.670 0 50 CCAA Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)OCCF)cn1 585139363 NGAGPGMTFKOHSX-LLVKDONJSA-N 298.318 0.720 0 50 CCAA COc1ccnc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)n1 643720203 YFTCLEZKZKKUFB-CQSZACIVSA-N 294.355 0.295 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1nc(C(C)C)no1 643826464 NKIGLKWVNFJRRB-AWEZNQCLSA-N 296.371 0.920 0 50 CCAA CN(C)C[C@H](O)CN1CCN(c2ccncc2F)CC1 1506403421 RFRKLQSVDBTZNI-LBPRGKRZSA-N 282.363 0.265 0 50 CCAA Cc1cc(=O)n(CCN(CCO)Cc2ccco2)c(O)n1 1506406751 FYYLKJMOEQMSJT-UHFFFAOYSA-N 293.323 0.345 0 50 CCAA Cc1noc(COC2CN(C(=O)C[C@@H]3CCCO3)C2)n1 644208700 DGOPYSWXQHQWIU-JTQLQIEISA-N 281.312 0.675 0 50 CCAA Cc1ccc(O)c(CN[C@@H](C)CN2CCOCC2)n1 112716626 CPQCDOGQYJLRBI-LBPRGKRZSA-N 265.357 0.906 0 50 CCAA CC(=O)Cn1nc2n(c1=O)C(=O)N(c1ccc(C)cc1)C2 1547201145 MELBOBDUFRTWBO-UHFFFAOYSA-N 286.291 0.931 0 50 CCAA Cc1nnc2n1C[C@@H](CNC(=O)c1cnsc1)C2 1772705842 SGLHBGJAJVMEHZ-MRVPVSSYSA-N 263.326 0.645 0 50 CCAA CN[C@@H](CC(C)C)C(=O)N(CCO)Cc1ncc[nH]1 1772701230 KMVIWVOWVHLPHB-NSHDSACASA-N 268.361 0.365 0 50 CCAA O=C([C@H]1CC[C@H](O)CC1)N(CCO)Cc1ncc[nH]1 1772701935 SRCVEKYAOFNSIT-XYPYZODXSA-N 267.329 0.282 0 50 CCAA Cc1cc(NC(=O)CSc2nnnn2C)no1 3314713 JVPYXSDLQKPLHW-UHFFFAOYSA-N 254.275 0.237 0 50 CCAA O=c1c2c3c(sc2ncn1Cc1nnn[nH]1)CCC3 4511492 PROAVBVPCTUUKI-UHFFFAOYSA-N 274.309 0.508 0 50 CCAA CCCN(Cc1nccn1C)C(=O)[C@H]1CC[C@@H](N)[C@H](O)C1 1857739532 UYAMVEWSSRTCHW-YNEHKIRRSA-N 294.399 0.647 0 50 CCAA Cn1nc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nc1Cl 1857687643 XSAFVAXQOJVRLY-VHSXEESVSA-N 292.726 0.857 0 50 CCAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 2874565 IAUNVJXWUOENAD-CYBMUJFWSA-N 296.392 0.974 0 50 CCAA CCCc1nc(C)cc(N2C[C@H]3COC[C@@H](C2)C(=O)N3)n1 1875240217 MTOCJEMZFFZBHP-NEPJUHHUSA-N 290.367 0.689 0 50 CCAA O=C(O)C[C@H](Sc1nnc(S)s1)C(=O)O 2570352 YUMSRJNRCPVTBZ-REOHCLBHSA-N 266.325 0.847 0 50 CCAA Cc1cc(N2CCO[C@H](CN(C)CC(=N)O)C2)ncn1 328630185 JDELPUSUWOOOAD-LLVKDONJSA-N 279.344 0.457 0 50 CCAA CN(CC(=O)N[C@@H]1C[C@H]1c1ccccc1)S(C)(=O)=O 240551619 GUWLZCVODNTMML-NWDGAFQWSA-N 282.365 0.550 0 50 CCAA CC(C)[C@@H](O)CC(=O)NCc1ccc(C(=O)O)nc1 910980164 PZKBWDGQHIQVPN-NSHDSACASA-N 266.297 0.803 0 50 CCAA Cn1ccc([C@@H]2CCCN(Cc3nc(=O)n(C)[nH]3)C2)n1 932134152 XPWIHDAJNIHHFJ-SNVBAGLBSA-N 276.344 0.222 0 50 CCAA Cc1nonc1C(=O)NC[C@@H]1CCO[C@H]1c1nccn1C 856007715 ICKFYHVGKGCQAD-GXSJLCMTSA-N 291.311 0.619 0 50 CCAA C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1nc[nH]n1 1875393848 NEAFAVNAJDFLMX-UWVGGRQHSA-N 285.373 0.052 0 50 CCAA C[C@@H]1COC[C@@H](C)N1C(=O)CNC[C@H]1CCCO1 299739556 PZPYXGJCOLKBLC-IJLUTSLNSA-N 256.346 0.391 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)c2cccc(C)n2)C1 630251209 WPGRORCSWRAMGG-CYBMUJFWSA-N 264.281 0.706 0 50 CCAA Cc1n[nH]c(C)c1NC(=O)CN1CC(F)(F)C[C@@H]1CO 366683252 KJKISWWXSWCIJF-SECBINFHSA-N 288.298 0.667 0 50 CCAA Cn1nnnc1CN1CCC[C@H]1CN1CCCC1 369126039 MEFJTDKNUHPDLC-NSHDSACASA-N 250.350 0.270 0 50 CCAA Cc1ccc(SCCNC(=O)C(CO)(CO)CO)cc1 2997294 NBDWYECMXBODQO-UHFFFAOYSA-N 299.392 0.167 0 50 CCAA Cc1[nH]nc2c1CN(c1ncc3c(ncn3C)n1)CC2 2100555365 SKBKBBPLFBLUGQ-UHFFFAOYSA-N 269.312 0.958 0 50 CCAA Cc1nnc(NC(=O)NCC2CCNCC2)s1 55359920 QHWSEBRPEFSVCK-UHFFFAOYSA-N 255.347 0.968 0 50 CCAA NC(=O)CCn1c(=O)c(C(=O)O)c(O)c2ccccc21 170624735 UHGILHQSEUBJJT-UHFFFAOYSA-N 276.248 0.281 0 50 CCAA O=C(NCCn1cccn1)N1CCC[C@H](CO)C1 114971646 VYGPRVOHOXNOGQ-NSHDSACASA-N 252.318 0.297 0 50 CCAA CCc1nn(C)c(Cl)c1CN1CCO[C@H](CN)C1 67770010 MRERPZZMZKWSIQ-SECBINFHSA-N 272.780 0.795 0 50 CCAA O=C1N[C@H](CC(=O)N2C[C@@H]3CC[C@H](C2)N3)c2ccccc21 65370870 UKESURQMUBRVGS-UHIISALHSA-N 285.347 0.824 0 50 CCAA COC(=O)[C@H]1CCc2nnc(-c3cnn(C)c3)n2CC1 601044141 OHWUJCQGPWFYTK-VIFPVBQESA-N 275.312 0.804 0 50 CCAA CC(C)c1cc(C(=O)NC[C@@H]2CNCCO2)no1 423989901 JCZVJDWGRRUHAJ-VIFPVBQESA-N 253.302 0.516 0 50 CCAA CCC[C@@H](CC(=O)O)NC(=O)c1cnc[nH]c1=O 219726498 GSYMNDNPYAQTCW-ZETCQYMHSA-N 253.258 0.143 0 50 CCAA O=C(CCN1CCCS1(=O)=O)N1CCC(F)(F)C1 329273496 JYUYIXJVQUSJJQ-UHFFFAOYSA-N 282.312 0.280 0 50 CCAA C[C@H]1CCC[C@@H](C)N1C(=O)CCn1ncn(C)c1=O 328847735 YFEXGGKREUMUNU-PHIMTYICSA-N 266.345 0.761 0 50 CCAA CN(C)c1nc(N)nc(Cn2ccc(=O)c3ccccc32)n1 151996029 PKGVNNCPMOKSAC-UHFFFAOYSA-N 296.334 0.883 0 50 CCAA C[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)C(N)=O 72408777 DNAHYJNXXDURTA-JTQLQIEISA-N 278.352 0.994 0 50 CCAA CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@H](N)C2)c1 158590754 JARGHCLLTUXBOX-IHVVCDCBSA-N 288.351 0.404 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCNC(=O)CC1 335788891 BFBBBNPZJKKFBV-WDEREUQCSA-N 254.330 0.540 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)N1CCOC[C@@H](O)C1 77389636 PQRHXVPWMGSZMY-ZDUSSCGKSA-N 295.383 0.935 0 50 CCAA CCOC1CC(C(=O)N2CCS(=O)(=O)CC[C@H]2C)C1 377208584 NYWDXXJWZHLYCB-VOMCLLRMSA-N 289.397 0.837 0 50 CCAA COCCC[C@H]1CCCN(C(=O)CCc2n[nH]c(N)n2)C1 77553510 YVFYTTDJOJUKIH-LLVKDONJSA-N 295.387 0.985 0 50 CCAA C[C@@H]1CCCN(C(=O)CCN2CCCC2=O)[C@H]1CN 237489142 SKSPVWCFIIHFQZ-NEPJUHHUSA-N 267.373 0.585 0 50 CCAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1n[nH]c(N)n1 71767609 WIEUIIBGMSJYAI-UHFFFAOYSA-N 289.343 0.651 0 50 CCAA CC[C@H](NC(=O)C(=O)c1cccnc1)[C@H]1C[C@@H](O)C1 219705636 YKPNPFGSVXJKHA-SRVKXCTJSA-N 262.309 0.930 0 50 CCAA N=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCC(=O)N1 334596170 LJVBPBDKDDLUHO-NEPJUHHUSA-N 287.319 0.754 0 50 CCAA CCn1nncc1CN1C(=O)N[C@H](Cc2ccccc2)C1=O 530197412 NNKYSPRRJQCUJF-CYBMUJFWSA-N 299.334 0.961 0 50 CCAA CN(C)CCN1C[C@H](C(=O)NCc2nccs2)CC1=O 95386089 JMBUEPMIGIFOLX-SNVBAGLBSA-N 296.396 0.169 0 50 CCAA Nc1nccnc1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 538504237 KROQANAQGAZHAK-VIFPVBQESA-N 294.311 0.155 0 50 CCAA C[S@](=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)O)cc1 299751228 PZNQMZIUFBAXBM-YBTHPKLGSA-N 297.332 0.350 0 50 CCAA Cc1cc(C)nc(NC[C@@H](O)CN2CCOCC2)n1 298274016 LXWILTWOHKBGTG-GFCCVEGCSA-N 266.345 0.198 0 50 CCAA C[C@@H](c1cnccn1)N1CCN(c2cnn(C)c2)C(=O)C1 184605520 PZHPCXJOPIGJHC-NSHDSACASA-N 286.339 0.620 0 50 CCAA COc1cc2cnn(CC(=O)O)c(=O)c2cc1OC 536959112 NTGOFOCKSBMZGW-UHFFFAOYSA-N 264.237 0.498 0 50 CCAA COC(=O)Cn1cnc(=O)c2cc(OC)c(F)cc21 185055661 RTXLCUGDVWRWQY-UHFFFAOYSA-N 266.228 0.717 0 50 CCAA Cc1nnnn1CCC(=O)N[C@H](c1nccn1C)C(C)C 534675384 FYTZKITYIWBEMM-LBPRGKRZSA-N 291.359 0.619 0 50 CCAA Cc1n[nH]c(C)c1CCCN(C)C(=O)N[C@@H]1CCNC1=O 534633465 XPFBULOPVYVOSG-GFCCVEGCSA-N 293.371 0.489 0 50 CCAA O=C(NCc1cn2c(n1)SCC2)[C@@H]1C=CCN1 534584484 RJOZBNLDZYLGOK-VIFPVBQESA-N 250.327 0.133 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)CCCc1cn[nH]c1 534582806 UYLYEVCRUNIGQR-QWRGUYRKSA-N 253.302 0.262 0 50 CCAA C[C@H](NS(=O)(=O)N1CCCC1)c1cnn(C)c1 266235368 VCFVWLIXHLSNIN-VIFPVBQESA-N 258.347 0.411 0 50 CCAA CC(C)(C)c1cc(CNC(=O)[C@H]2CCS(=O)(=O)C2)[nH]n1 299794925 LDZHVXLXKAYARB-VIFPVBQESA-N 299.396 0.758 0 50 CCAA COC(=O)C[C@@]1(C(=O)OC)C(=O)Cc2ccccc21 725244806 XVRDULYJUNKCPD-AWEZNQCLSA-N 262.261 0.786 0 50 CCAA CC(=O)N1CCO[C@@H](CNc2nc(C)ccc2C(=O)O)C1 584890104 IVZFRKDJQZGAJR-NSHDSACASA-N 293.323 0.747 0 50 CCAA Cc1cccc(OC2CN(S(=O)(=O)N(C)C)C2)c1 670470682 ZBTWSQKXIGNNFV-UHFFFAOYSA-N 270.354 0.864 0 50 CCAA CNC(=O)C[C@@H]1CCN(Cc2[nH]cc(C)c(=O)c2C)C1 670435750 IOGPYWCRJPGZIS-LBPRGKRZSA-N 277.368 0.950 0 50 CCAA CSCCNC(=O)c1cnc2ccccn2c1=O 952985585 CQCMNMGWZKBWBD-UHFFFAOYSA-N 263.322 0.787 0 50 CCAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@H]1CCCO1 952873261 JUUDIFMQBGFJRF-LLVKDONJSA-N 289.295 0.788 0 50 CCAA CS[C@H]1CCN(C(=O)c2cn3c(n2)COCC3)C1 599978873 PNFCQLGRHZCIGB-VIFPVBQESA-N 267.354 0.991 0 50 CCAA CC(C)(CC(=O)N[C@H]1CNC[C@@H]1O)c1ccccc1 1565511143 GWLVGLGFYBPNQZ-STQMWFEESA-N 262.353 0.803 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cncc(F)c1 1565506629 ISHNFQICHNIRPD-RNJOBUHISA-N 279.315 0.668 0 50 CCAA Cc1cc(F)c(S(=O)(=O)N2CCNCC2)cc1F 207174619 ADAGDDMJEDRKST-UHFFFAOYSA-N 276.308 0.867 0 50 CCAA C[C@@H]1CN(Cc2ncccn2)C[C@H]1C(=O)N1CCOCC1 408473628 DXWMIIJRVRJNGH-CHWSQXEVSA-N 290.367 0.403 0 50 CCAA O=C(NCCc1c(F)cccc1F)[C@H]1C[C@H](O)CN1 277520574 KYVAGKRTVPLVOB-QPUJVOFHSA-N 270.279 0.346 0 50 CCAA CCOc1cc(N2CC[C@](O)(CN(C)C)C2)nc(C)n1 895009559 BVVYKVGKNDZTOG-AWEZNQCLSA-N 280.372 0.687 0 50 CCAA CC(C)n1cc(C(=O)NCC(=O)N2CCOCC2)cn1 189209960 LBFIHGQDHKZUGC-UHFFFAOYSA-N 280.328 0.053 0 50 CCAA Cc1ccc(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)nc1C 643995573 KJDULZDGAKGRFQ-OAHLLOKOSA-N 291.351 0.541 0 50 CCAA C[C@@H](CNS(=O)(=O)C1CC1)N1CCCCC1=O 194599819 WZGZKZCXBSDTBF-VIFPVBQESA-N 260.359 0.469 0 50 CCAA CCc1c(C(=O)NC2CC3(C2)C[C@H]3N)nnn1CC 1615547297 SSPTUTLRNMIGAB-MDGUTJNFSA-N 263.345 0.470 0 50 CCAA O=C([C@H]1CCCO1)N1CCN(C(=S)NC2CC2)CC1 613436 QYXARDXACBIHOU-LLVKDONJSA-N 283.397 0.347 0 50 CCAA CSc1ncc(C(=O)O)c(NCC(=O)N(C)C)n1 1506409485 HRRXYBRDYXXKFE-UHFFFAOYSA-N 270.314 0.397 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3cnc[nH]3)C[C@H]2O)n[nH]1 1529120832 NUUGJHVRBZCUTC-ZWNOBZJWSA-N 261.329 0.477 0 50 CCAA Cn1ccnc1NC(=O)[C@H](c1ccccc1)n1cnnn1 1529150776 APDMFYIPYSCPME-NSHDSACASA-N 283.295 0.635 0 50 CCAA Cc1ccc(F)cc1CN1CCC[C@](O)(C(N)=O)C1 225477019 RECAQPRXCIMVSN-CQSZACIVSA-N 266.316 0.946 0 50 CCAA O=C(NC[C@H]1CCNC[C@@H]1O)c1ccc2c(c1)CCO2 215070176 PKDXKXWAVKDRSH-OLZOCXBDSA-N 276.336 0.322 0 50 CCAA CCOCCN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704337745 DDRPBVUOHSRISM-DGCLKSJQSA-N 251.330 0.348 0 50 CCAA O=C(COc1ccc(Cl)cc1)N1CCN(CCO)CC1 20660985 GEFADJWTYGNLAN-UHFFFAOYSA-N 298.770 0.855 0 50 CCAA CC(C)CCN1CCN2C(=O)[C@H](C)NC(=O)[C@H]2C1 14754310 ZDAXWTHNPNEABF-WDEREUQCSA-N 253.346 0.064 0 50 CCAA CCN(CCO)[C@H]1CC(=O)N(c2ccccc2C)C1=O 18219652 YRLXVWOMVOBPBQ-ZDUSSCGKSA-N 276.336 0.941 0 50 CCAA CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(F)c1 2853163 XORBAGGVICCSAQ-VIFPVBQESA-N 254.261 0.651 0 50 CCAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)N1CCCCC1 131802019 HQFYUTYYNMAHOH-QWRGUYRKSA-N 261.391 0.529 0 50 CCAA COc1ccc(C)nc1N1C[C@H](C)O[C@H](CO)C1 1857676856 UOGARBKEZPDTFV-QWRGUYRKSA-N 252.314 0.985 0 50 CCAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1C[C@H]1C(=O)O 331695499 UMSIAUNKOZHZKB-CQFDHEJISA-N 279.340 0.805 0 50 CCAA CC(C)(C)c1nnc(CN[C@@H]2C(=O)NCC2(C)C)o1 931669191 ULQWZOYOBZSIFA-SECBINFHSA-N 266.345 0.981 0 50 CCAA CCOc1nc(N[C@H]2CCC(=O)NC2=O)ncc1Cl 1120908046 SWCDYKPJFGKBKF-ZETCQYMHSA-N 284.703 0.746 0 50 CCAA O=C(O)CN1CCN(c2ccnc3nsnc23)CC1 1857533514 LNHNEVWXMSASBZ-UHFFFAOYSA-N 279.325 0.293 0 50 CCAA C=CS(=O)(=O)CCC(=O)Nc1c(C)ccn(C)c1=O 952883076 XTKBZJVMQQTAHL-UHFFFAOYSA-N 284.337 0.581 0 50 CCAA Cc1cc(NC(=O)N2C[C@@H]3OCCO[C@@H]3C2)on1 1875298741 LZADNZHWJOYYQF-DTORHVGOSA-N 253.258 0.615 0 50 CCAA Cc1ccncc1C(=O)N1CCc2c(cnn2C)[C@@H]1C(N)=O 1875394653 QTFLVOFPYZUZJW-CYBMUJFWSA-N 299.334 0.348 0 50 CCAA O=C(Cc1ccco1)N[C@@H]1CS[C@H](C(=O)O)C1 1875300829 RXISDQBVTDZNAX-CBAPKCEASA-N 255.295 0.897 0 50 CCAA Cc1oncc1CNC(=O)c1cnc2c(c1)CCNC2 1875347474 VMFUGOXKASEDEO-UHFFFAOYSA-N 272.308 0.954 0 50 CCAA NC[C@@H](O)CNC(=O)/C=C/c1c(F)cccc1F 888096575 KKTHQWGVWUANEZ-WTSVBCDHSA-N 256.252 0.414 0 50 CCAA CC[C@@H](N)CNC(=O)NC[C@@H]1Cc2ccccc2CN1 892143866 GRAJJWHYYOYMHO-KGLIPLIRSA-N 276.384 0.737 0 50 CCAA CC(C)N1CC[C@H](N2CCC[C@H](n3cncn3)C2)C1=O 175202865 JIEPIIJADPWVTK-STQMWFEESA-N 277.372 0.924 0 50 CCAA O=S(=O)(CC1CCCC1)NCC1(CO)CCOCC1 178882632 RNASJNALCCBUHJ-UHFFFAOYSA-N 291.413 0.885 0 50 CCAA CCc1ocnc1C(=O)N1CCC[C@]1(COC)C(=O)O 643853238 VXAPTPMBPXVPLR-ZDUSSCGKSA-N 282.296 0.943 0 50 CCAA CN(C[C@H]1CCCN1C)C(=O)c1cnc(N)s1 584885646 RTPBPWFUJZLVMA-MRVPVSSYSA-N 254.359 0.892 0 50 CCAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1c1nc[nH]n1 2492062 GHQNMKXHBGBQQQ-RQJHMYQMSA-N 252.661 0.827 0 50 CCAA Cn1nncc1CC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)O)C1 2325777901 MPARCASFKXZOAQ-HZMBPMFUSA-N 292.339 0.461 0 50 CCAA Cc1cc(C(=O)N=[S@](C)(=O)C2CCOCC2)c(O)nn1 2325864854 BLFDAOASVUUJOF-HXUWFJFHSA-N 299.352 0.908 0 50 CCAA O=C(NO[C@@H]1CCCCO1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 931317047 IGSAWQMQQZHBCG-OWSRUXPGSA-N 253.298 0.984 0 50 CCAA Cn1nnnc1SCC(=O)Nc1ccc(C(=O)O)cc1 614354 GBPLXVIGBHFYIB-UHFFFAOYSA-N 293.308 0.639 0 50 CCAA C[C@H]1CN(C(=O)[C@H]2CCOC2)CCN1C(=O)[C@@H]1CCOC1 114156935 QHMDXGBJLWRIHZ-RWMBFGLXSA-N 296.367 0.119 0 50 CCAA CN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 20535672 YOCHKDQNRYUUQA-KBPBESRZSA-N 287.363 0.438 0 50 CCAA C[C@H](Cn1cncn1)NC(=O)c1ccc2[nH]nnc2c1 68087363 OTCDVCRXCDNDNQ-MRVPVSSYSA-N 271.284 0.368 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)[C@@H]1NCCc2[nH]cnc21 72429184 FJZVWBPVLMXTRA-CYBMUJFWSA-N 289.339 0.860 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)N(C)C[C@@H](C)C(=O)O 331122119 MPWGJFZWQPTNET-APPZFPTMSA-N 274.342 0.087 0 50 CCAA NS(=O)(=O)c1cccnc1N1CCO[C@H](C2CC2)C1 375332240 KXHUFNQDUQCCIV-JTQLQIEISA-N 283.353 0.344 0 50 CCAA C[C@H](NC(=O)N(C)CCCN(C)C)c1nnnn1C1CC1 252497142 PZXLKWZVIBUKAX-JTQLQIEISA-N 295.391 0.662 0 50 CCAA CS(=O)(=O)CCCN1CCC(O)(C(F)(F)F)CC1 120042389 UNNAATBZUKPDBR-UHFFFAOYSA-N 289.319 0.810 0 50 CCAA COc1ncccc1C(=O)N1C[C@@H](F)C[C@H]1CO 330587094 XVVYNXBWPBKZAE-IUCAKERBSA-N 254.261 0.635 0 50 CCAA COc1cc(F)c(CN2CCN[C@H](C(=O)O)C2)cc1OC 71497681 VNZDVARYFIJBAJ-NSHDSACASA-N 298.314 0.701 0 50 CCAA CSC[C@H](C)C(=O)N1CCOC[C@H]1CC(=O)O 261542257 OISIOCPODCAFGS-DTWKUNHWSA-N 261.343 0.688 0 50 CCAA O=C(c1cn2ccccc2n1)N1CCOC[C@@]12CCOC2 282125362 NXYLSDGNUSPOOI-HNNXBMFYSA-N 287.319 0.966 0 50 CCAA O=C1C[C@@H](NC(=O)Nc2c[nH]nc2-c2nccs2)CN1 446382005 IGABGCKNBHKGEC-ZCFIWIBFSA-N 292.324 0.543 0 50 CCAA COc1ccsc1S(=O)(=O)N1CCC[C@H]1CN 237119420 NPPGXLKGFUMPGY-QMMMGPOBSA-N 276.383 0.869 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)/C=C/c1ccc[nH]1 374159529 FRMVGUOLHWRDFZ-IEVRTODYSA-N 259.309 0.765 0 50 CCAA CCc1ncnc(N2CCOC[C@@H]2c2ncnn2C)c1F 240423756 FQNYYAIYDNXSLX-SNVBAGLBSA-N 292.318 0.885 0 50 CCAA CC1(C)NCC[C@H]1NC(=O)[C@@H]1CC12CCNCC2 335347297 YEIQCQZGTWGOKD-WDEREUQCSA-N 251.374 0.633 0 50 CCAA Cc1nc(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)c[nH]1 285421929 IGHKQBIGYOWDJG-CABZTGNLSA-N 275.312 0.712 0 50 CCAA COc1c(C2OCCO2)sc(S(N)(=O)=O)c1OC 1536220150 SUGJTNJJZXLUHQ-UHFFFAOYSA-N 295.338 0.458 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cncnc2)C1 286549697 XDTNAFIOQXEUFM-KBPBESRZSA-N 290.367 0.802 0 50 CCAA CCS(=O)(=O)N1C[C@@H](C(=O)O)[C@H](c2cccnc2)C1 85347764 UDXDIGFLCATLBQ-WDEREUQCSA-N 284.337 0.531 0 50 CCAA C[C@H](Cc1cnn(C)c1)NC(=O)N[C@H]1CCCN(C)C1=O 527990884 RPXBKYSPYNGLFJ-PWSUYJOCSA-N 293.371 0.271 0 50 CCAA CC[C@H](O)CNC(=O)c1cn(C(C)C)cc(C(=O)O)c1=O 426439046 UKCDVSUHNXNMIA-VIFPVBQESA-N 296.323 0.628 0 50 CCAA CCN(C(=O)CSc1ccncc1)[C@H]1COC[C@@H]1O 222561034 CHLOZAAAFJICTE-RYUDHWBXSA-N 282.365 0.782 0 50 CCAA CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 146783968 LMDVFSHGYANGRP-RYUDHWBXSA-N 262.309 0.574 0 50 CCAA biogenic,in-vitro CC[C@H](C)N(CC(=O)O)C(=O)[C@H]1CN(CC)CCO1 236915636 IRRINZGPPFKYSP-WDEREUQCSA-N 272.345 0.419 0 50 CCAA Cn1cnnc1CCC(=O)NCCCn1cc(Cl)cn1 426387617 JGNZAOBKLQHFTH-UHFFFAOYSA-N 296.762 0.804 0 50 CCAA CC[C@H](C(=O)NCCc1nc(COC)no1)n1cccn1 91831119 WNBLUVRFKKTHPV-SNVBAGLBSA-N 293.327 0.723 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@]1(O)C1CCC1 91915480 LCFPENXPSZXFAA-BMIGLBTASA-N 276.336 0.998 0 50 CCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CN2CCCC2)on1 95354804 SFCTYXCMAZZVNR-OCCSQVGLSA-N 293.367 0.753 0 50 CCAA O=C(c1nc2ccccc2s1)N1CCNC[C@@H](O)C1 97660499 HVVBRLWWHFXBRF-SECBINFHSA-N 277.349 0.703 0 50 CCAA Nc1nc(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cs1 91663398 MXMJDUJRJUJTSD-MRVPVSSYSA-N 294.380 0.395 0 50 CCAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCCN)C[C@@H](C)O1 237509487 IQAUSBJJLZFRLH-MCIONIFRSA-N 283.416 0.826 0 50 CCAA Cc1nc(N)ncc1C(=O)N1C[C@@H](C)[C@@](C)(O)C1 91474172 MIXPGIMEVUWDDV-KRTXAFLBSA-N 250.302 0.210 0 50 CCAA O=C(CCO)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252536859 JRLUXPNVQMBORP-ZENOOKHLSA-N 291.347 0.932 0 50 CCAA COC[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)CCO1 299753637 YVWYRRYUWIEELR-QWHCGFSZSA-N 264.325 0.560 0 50 CCAA COc1ccc2c(c1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2 534653683 PQNKHGHNAHGOIF-HQJQHLMTSA-N 262.265 0.223 0 50 CCAA COCCN(C)CC(=O)N1CCCC2(CCNCC2)CC1 534583456 ZJZHXQFQKXOZMV-UHFFFAOYSA-N 297.443 0.947 0 50 CCAA NC[C@@H]1CCN(C(=O)CCN2CCCCCC2=O)C1 534580447 NJCDOXYIBHWIAM-LBPRGKRZSA-N 267.373 0.586 0 50 CCAA CN(C[C@@H]1CCCCO1)C(=O)CCc1ccc(=O)[nH]n1 299779425 RHZNELQXZBDWHE-LBPRGKRZSA-N 279.340 0.730 0 50 CCAA CC(C)C[C@H]1C(=O)N2C[C@H](N(C)C)C[C@H]2C(=O)N1C 821434071 CBWKIJQRFGDIRF-WOPDTQHZSA-N 267.373 0.404 0 50 CCAA CNC(=O)c1cccnc1NCCN1CCCCC1=O 823836594 UGGDXNYMLSBYOV-UHFFFAOYSA-N 276.340 0.866 0 50 CCAA OC[C@@]12COCCN1CCN(Cc1cncc(Cl)c1)C2 1364822896 ZTNSYZDCKOYRNQ-AWEZNQCLSA-N 297.786 0.614 0 50 CCAA CCN1CCN(CC(=O)NCCSC(F)(F)F)CC1 746129706 JNNPAMRNMDVAPU-UHFFFAOYSA-N 299.362 0.993 0 50 CCAA C[C@@H]1CN(c2cc(N)ncn2)CC2(CCOCC2)O1 1337146616 WJKCXBVLZJQUJS-SNVBAGLBSA-N 264.329 0.833 0 50 CCAA C[C@]1(O)CCN(C(=O)c2cnc(C3CC3)nc2O)C[C@H]1O 1565512719 GMSRKBDLJJRZFZ-YGRLFVJLSA-N 293.323 0.017 0 50 CCAA CS(=O)(=O)c1ccc2ncnc(N3CCOCC3)c2c1 302782149 SKCFZDAMPBUUIJ-UHFFFAOYSA-N 293.348 0.870 0 50 CCAA COCC[C@H](C)N[C@H]1CCCN(c2nccn(C)c2=O)C1 275731829 ZWCMZLQMSHQRKD-STQMWFEESA-N 294.399 0.764 0 50 CCAA CCC(CO)(CO)NC(=O)c1ccn(C2CCCC2)n1 170595365 YBYFDFUDWMIYOQ-UHFFFAOYSA-N 281.356 0.861 0 50 CCAA COc1cc(OC)nc(N(C)CC(=O)N2CCCC2)n1 672154770 NTSABRWRPMMOPJ-UHFFFAOYSA-N 280.328 0.552 0 50 CCAA CCN(CCNC(=O)NC(C)C)CCS(C)(=O)=O 585089082 QOVPRIOZWXGXAA-UHFFFAOYSA-N 279.406 0.061 0 50 CCAA C[C@@H]1COCCN1CCN(C)C1(CO)CCOCC1 192821645 KGPCGOXMIRDJST-CYBMUJFWSA-N 272.389 0.180 0 50 CCAA CO[C@H](C)C(=O)NS(=O)(=O)CCc1ccccc1 195072273 PGOGVHHCXZWYQT-SNVBAGLBSA-N 271.338 0.710 0 50 CCAA Cc1c(NC(=O)[C@@H](C)N2CCN(C)CC2)cnn1C 1319070694 BBTQTQLBOUJRGB-LLVKDONJSA-N 265.361 0.303 0 50 CCAA CC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H](O)CO2)c1C 1857687118 LKOOSFCTPPKFCQ-SECBINFHSA-N 252.270 0.582 0 50 CCAA CN(CC(=O)N1CCCC1)C[C@@H]1CCCN(CCO)C1 1529161564 LHAKKCPRUDXYGZ-AWEZNQCLSA-N 283.416 0.245 0 50 CCAA C[C@@]1(O)CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)C1 375090245 NPDHWJHOZBKISA-MWLCHTKSSA-N 296.289 0.233 0 50 CCAA CC(C)CS(=O)(=O)CC(=O)N1CCCC[C@H]1C(=O)O 262611223 AUCUITZVFVFZEK-JTQLQIEISA-N 291.369 0.523 0 50 CCAA O=C(O)[C@H]1CCCN(C(=O)c2ccc3nncn3c2)C1 117107081 USDBURYJBSHMRC-JTQLQIEISA-N 274.280 0.666 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCC2(CC1)C[C@@](C)(O)CCO2 1704297139 IMHBWGWTCNYEIV-ZDUSSCGKSA-N 294.355 0.649 0 50 CCAA COC(=O)[C@@H]1C(=O)/C(=C\N2CCOCC2)C(=O)CC1(C)C 447216 NZSHGTRWHPKVAD-PRDAAYKISA-N 295.335 0.560 0 50 CCAA Cc1cncc(C(=O)N2C[C@H]3[C@H](C2)C3(CO)CO)c1 1772818794 YOKZZSIONHERQB-RYUDHWBXSA-N 262.309 0.063 0 50 CCAA COc1cc(OC)cc(C(=O)NCCC(=O)O)c1 11891666 DULWJNHGZTTXMI-UHFFFAOYSA-N 253.254 0.908 0 50 CCAA CCCN(C)S(=O)(=O)c1cccc(C(N)=O)c1 16622926 NBDRVMMOOUBSRL-UHFFFAOYSA-N 256.327 0.816 0 50 CCAA O=C1CN(CC(=O)NCc2ccc3ncccc3c2)CCN1 19771569 OBKZOHYYRJTANP-UHFFFAOYSA-N 298.346 0.283 0 50 CCAA Cc1nc(CN2CCN(C(=O)[C@@H]3CCOC3)CC2)oc1C 225543468 RCMSPMKNYGJUOD-CYBMUJFWSA-N 293.367 0.972 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(CCc2ccncc2)C1 643814197 PZBWUFKDNJGCFD-OAHLLOKOSA-N 277.368 0.587 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccc[nH]1 644228043 XUMSLVZGCRNARS-WZRBSPASSA-N 263.341 0.732 0 50 CCAA C[C@](N)(C(=O)N1CCC[C@H](Cn2cncn2)C1)C1CC1 237374948 YGQJRGWGHLNNIK-SMDDNHRTSA-N 277.372 0.644 0 50 CCAA C[C@@H]([C@@H](C)NC(=O)c1cccnc1)N1CCOCC1 264299263 RIPCZYJMDXRWFO-NEPJUHHUSA-N 263.341 0.921 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(Cc1cnn3cccnc13)C2 1704305585 LXEIDEJPBTYRBE-JSGCOSHPSA-N 287.367 0.492 0 50 CCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cc(C)no1)C2 952851311 IDDINJHCJMZENW-YGRLFVJLSA-N 293.323 0.208 0 50 CCAA C[C@H](ONC(=O)[C@H]1COC(=O)N1)c1ccncc1 1875297998 LIWXUOQQGBTBMV-IONNQARKSA-N 251.242 0.299 0 50 CCAA CC(C)Cc1cc(=NC(=O)[C@H](O)Cc2ccccn2)[nH][nH]1 1875321463 JNFICOQDAAELIU-CYBMUJFWSA-N 288.351 0.967 0 50 CCAA CS(=O)(=O)NC(=O)c1ccc2nnc(C(F)F)n2c1 1875391281 RFCPRBYVBDNNRG-UHFFFAOYSA-N 290.251 0.356 0 50 CCAA O=C(Cc1ccoc1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875401020 QPMYDHLOILIQGD-BFHYXJOUSA-N 289.335 0.975 0 50 CCAA CO[C@@H](C(=O)N[C@@H](C(=O)O)c1ccnn1C)C1CCC1 663062363 XVXOYVDMECMOIE-GHMZBOCLSA-N 281.312 0.477 0 50 CCAA Nc1nc2c(c(NCCN3CCNC3=O)n1)CCCC2 91434263 VFECBNSHKJGJAJ-UHFFFAOYSA-N 276.344 0.375 0 50 CCAA CCN(CC)S(=O)(=O)c1csc(C(N)=O)c1 806142 YWLOSKSIAXKSOX-UHFFFAOYSA-N 262.356 0.878 0 50 CCAA CC[C@H](C)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 4687334 LSHZIEDSGYWSJW-VHSXEESVSA-N 262.375 0.573 0 50 CCAA CCc1noc([C@@H](C)N2CCO[C@@H](Cn3cncn3)C2)n1 229552743 GMOYGCVALXVSQX-GHMZBOCLSA-N 292.343 0.686 0 50 CCAA CCOCCCN1C(=O)N[C@]2(CCSC2)C1=O 125710131 YVIKUCPHXDRTOA-NSHDSACASA-N 258.343 0.841 0 50 CCAA COc1ccc(F)cc1S(=O)(=O)N1CCN(C)CC1 35993523 ANXMECCTQPMBEN-UHFFFAOYSA-N 288.344 0.770 0 50 CCAA C[C@@H](C(=O)O)N(C)CC(=O)/N=c1\cc[nH]n1[C@H](C)C1CC1 252533177 GEDWIIRLMFCABX-PAIFWPDXSA-N 294.355 0.619 0 50 CCAA CCN1CCN(C(=O)c2cnc(C)[nH]2)C[C@@H]1c1ncc[nH]1 328615594 AYAQFXKIAMASQO-GFCCVEGCSA-N 288.355 0.960 0 50 CCAA OC[C@@H]1COCCN(Cc2cnc(N3CCCC3)nc2)C1 77343574 ZBVPNVOCRDPYKJ-CQSZACIVSA-N 292.383 0.518 0 50 CCAA CCn1ncnc1CN1CCC(O)(Cn2ccnc2)CC1 216050647 ZDDUXJOECFKMBM-UHFFFAOYSA-N 290.371 0.522 0 50 CCAA O=C1NCCCC[C@@H]1NS(=O)(=O)NCc1ccccc1 71770856 SDILZYCXIAUYGO-LBPRGKRZSA-N 297.380 0.279 0 50 CCAA Cc1cc(C)n([C@@H]2CCN(C(=O)CCn3cncn3)C2)n1 219120722 AMCNPPJXCBNCNK-CYBMUJFWSA-N 288.355 0.955 0 50 CCAA CCn1c(C)ccc(C(=O)NC[C@@](C)(O)CCCO)c1=O 214957931 SHIIJLAGHFACMK-HNNXBMFYSA-N 296.367 0.430 0 50 CCAA O=C(NC1[C@H]2CNC[C@H]12)N1CCCN(C2CCCC2)CC1 335302649 JQUVAKLHYXHILF-KBPBESRZSA-N 292.427 0.864 0 50 CCAA C[C@H](C(=O)O)N(C(=O)c1cnn2cccnc12)C1CC1 262484798 BACICKYCYOVEKH-MRVPVSSYSA-N 274.280 0.807 0 50 CCAA Cc1nc(NCCS(C)(=O)=O)c2cnn(C)c2n1 48893621 MDSGHNCQXPDKHI-UHFFFAOYSA-N 269.330 0.128 0 50 CCAA COc1cccc(N2CCN(C(=O)[C@H](C)O)CC2=O)c1 82099810 CYCLAODHWHPMGZ-JTQLQIEISA-N 278.308 0.251 0 50 CCAA CNCc1nnc(SCc2noc(C)n2)n1C 426728326 UJFVQMXKDCSFGD-UHFFFAOYSA-N 254.319 0.518 0 50 CCAA CN1CCC[C@H]2CN(C(=O)Cc3cnnn3C)CC[C@H]21 612518055 WQXRODUMFMIQEP-WCQYABFASA-N 277.372 0.300 0 50 CCAA CCO[C@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@@H]1O 223254849 KRFMSBDMMBONAL-STQMWFEESA-N 266.341 0.864 0 50 CCAA CN1CCCC[C@H]1CC(=O)NCCn1ccnn1 426491421 KSGNUQDFQAQLMB-NSHDSACASA-N 251.334 0.269 0 50 CCAA Cc1cc(C(=O)NCCCn2ccnn2)c(=O)n(C)c1C 426472585 BNKLWGCRAYUFKG-UHFFFAOYSA-N 289.339 0.414 0 50 CCAA Nc1nc([C@@H]2CCOC2)cc(N2CCC(CO)CC2)n1 426428410 VHDXGTKXVDHJFE-LLVKDONJSA-N 278.356 0.771 0 50 CCAA CNCc1nnc(SC[C@H]2CCC(=O)O2)n1C 426376333 MGWRQBPFWFQNGG-SSDOTTSWSA-N 256.331 0.332 0 50 CCAA CC(=O)c1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)cc1 239433127 XGENSLWVQPEOBM-BCTPILQISA-N 281.308 0.129 0 50 CCAA CC(=O)N1CCN(Cc2cscn2)C[C@H](O)C1 91504366 LWNNPLRSHZZYRT-NSHDSACASA-N 255.343 0.168 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@](C)(O)[C@@H](O)C1 96130302 BSWGEMGNRFVFFE-ZFWWWQNUSA-N 295.383 0.314 0 50 CCAA Cc1ncc(S(=O)(=O)N2CC[C@H](C)[C@H]2C(=O)O)s1 300064770 OEOWUCBFLMRLLY-RCOVLWMOSA-N 290.366 0.935 0 50 CCAA CCOCCOc1cccc(C(=O)N[C@@H]2CNC[C@H]2O)c1 244873232 WMHPFVGSRHTKJM-ZIAGYGMSSA-N 294.351 0.164 0 50 CCAA Cc1nnc(CN2CCC[C@H]3C(=O)N(C)C[C@H]32)n1C1CC1 299746666 YYXGPGUQFQANNI-CHWSQXEVSA-N 289.383 0.974 0 50 CCAA Cc1csc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 528468013 UKFIFMHZWMOQAM-UWVGGRQHSA-N 291.394 0.278 0 50 CCAA Cn1ncc2c(O)c(C(=O)N[C@H]3CCCOCC3)cnc21 182348081 RKLFPLYYCWEUBY-VIFPVBQESA-N 290.323 0.973 0 50 CCAA O=C(O)CCN1CCN(Cc2cnn3cccnc23)CC1 534648680 ZYENJTQNVCFZNL-UHFFFAOYSA-N 289.339 0.322 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)CN1CCCCCCC1 534584756 VGBGUMGDIZBHAN-STQMWFEESA-N 269.389 0.356 0 50 CCAA C[C@H](CCNC(=O)Cc1ccncc1)N1CCN(C)CC1 534660529 XJRTYLCQOVLMOX-CQSZACIVSA-N 290.411 0.766 0 50 CCAA CN1CCCN(CC(=O)NCC2(CO)CCCC2)CC1 534633020 FJUMGZLHWLCPEG-UHFFFAOYSA-N 283.416 0.293 0 50 CCAA Cn1nc(-c2cccc(C(N)=O)c2)nc1N1CCOCC1 299776677 CJSKJWAGGVOXRN-UHFFFAOYSA-N 287.323 0.418 0 50 CCAA Cc1cc(N)n(CC(=O)N2CCC[C@](C)(C(=O)O)C2)n1 299756792 IWTHVENNVILPOZ-ZDUSSCGKSA-N 280.328 0.487 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1ccccc1-n1cnnc1 824506331 BEHZLYRHSALRAA-AAEUAGOBSA-N 288.307 0.411 0 50 CCAA CC(C)(C)n1nc(CC(N)=O)nc1[C@H]1CCOC1 826841977 FUWUIQUZWYNRPJ-QMMMGPOBSA-N 252.318 0.565 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)NC(C)C 824466427 RDLIBXQMCFLLQM-SECBINFHSA-N 255.322 0.693 0 50 CCAA CCCOC[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 584887654 LUVUWXXMDWJWSY-JTQLQIEISA-N 254.330 0.527 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)CSC 584891849 IMOHQXPKAMRFJX-QMMMGPOBSA-N 258.347 0.465 0 50 CCAA Cc1[nH]nc(CCC(=O)NCCc2noc(CO)n2)c1C 584891714 BWXACRJRCQAKAG-UHFFFAOYSA-N 293.327 0.193 0 50 CCAA CC[C@H](C(=O)N(C)CC1(CO)CCC1)N1CCOCC1 584904104 WKWYPPRSTVZXSY-CYBMUJFWSA-N 284.400 0.718 0 50 CCAA CCCN1CCN(C(=O)CCCN2CCCC2=O)CC1=O 670472839 HHMIYGZWMAASOQ-UHFFFAOYSA-N 295.383 0.470 0 50 CCAA CC1CCN(C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)CC1 239412393 SQKQOTLWSAGPAN-DDHJBXDOSA-N 265.309 0.899 0 50 CCAA O=C(c1ccc[nH]1)N1CCC[C@H](Cc2nn[nH]n2)C1 1347305073 IXGZQSJBMAPRDJ-SECBINFHSA-N 260.301 0.623 0 50 CCAA COc1cc(NC(=O)[C@H]2CCOC2)cc(-n2cnnn2)c1 952991170 ZBJGMZUSMGVHOF-VIFPVBQESA-N 289.295 0.646 0 50 CCAA O=C(CCCc1nn[nH]n1)N1CC[C@@H](N2CCCC2)C1 635479184 GGTSFLYKQBIIQP-LLVKDONJSA-N 278.360 0.219 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 189263289 YSMQUUDAKWWZRV-QWRGUYRKSA-N 289.397 0.837 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cnn(C)c1C 643764319 UNJVSVJQPLFXRK-CYBMUJFWSA-N 266.345 0.195 0 50 CCAA CCc1ccnc(C(=O)N2CCC[C@](O)(CC(N)=O)C2)c1 644003660 QEUOOLJUAXNKBT-HNNXBMFYSA-N 291.351 0.487 0 50 CCAA Cc1nnc(N2CCC[C@@H](N3CCCC3=O)C2)o1 561194290 YNMSUTPNSQJLNM-SNVBAGLBSA-N 250.302 0.969 0 50 CCAA COCC(COC)NC(=O)N1CC[C@@H](C)[C@@H](C(=O)O)C1 573680480 ATLITJWBVHYUKN-KOLCDFICSA-N 288.344 0.400 0 50 CCAA Cc1noc([C@H](NC(=O)COC2CCNCC2)C(C)C)n1 1615046109 XDTSRJDDXSOYPG-CYBMUJFWSA-N 296.371 0.960 0 50 CCAA COc1cc(CCNC(=O)[C@@H]2C[C@H](N)[C@H]3C[C@H]32)ccn1 1615546076 JKQPANUIUFUZNX-XQHKEYJVSA-N 275.352 0.732 0 50 CCAA CNC(=O)[C@H]1CN(C[C@@]2(C)CCCCO2)CCO1 1616034969 XULQUZNPLZAJCC-DGCLKSJQSA-N 256.346 0.392 0 50 CCAA CC[C@@H]1CCCN(C(=O)CN2CCC(C(N)=O)CC2)C1 1506397186 QUSGJBSSQMUSJB-GFCCVEGCSA-N 281.400 0.832 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@H]2COC3(CCNCC3)C2)c[nH]1 1506409027 ODMBOWVWYAXEDK-LLVKDONJSA-N 291.351 0.324 0 50 CCAA Cc1cnnc(N2CCO[C@H](C(=O)N(C)C)C2)c1C 1857682753 RMIKRHVXNMFLQK-NSHDSACASA-N 264.329 0.387 0 50 CCAA O=C([C@@H]1CNCCOC1)N1CCCC2(CCOCC2)C1 1857694225 GMJHDLCSFQUMQA-CYBMUJFWSA-N 282.384 0.642 0 50 CCAA Cc1nnc(N2C[C@H](C)N(CCO)[C@H](C)C2)nc1C 579555013 HOLOTUISZHKMIA-AOOOYVTPSA-N 265.361 0.380 0 50 CCAA CCN(C)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 331668501 PPEOYPIDRYLNHG-UHFFFAOYSA-N 268.317 0.074 0 50 CCAA CN1C(=O)c2ccc(NC3=NC(=O)CS3)cc2C1=O 18217728 ADLKGYAKDOSOQS-UHFFFAOYSA-N 275.289 0.954 0 50 CCAA O=c1[nH]cc(S(=O)(=O)Nc2ccccc2F)c(=O)[nH]1 4479994 JWKJQZFMXOOCPG-UHFFFAOYSA-N 285.256 0.003 0 50 CCAA O=C(NC[C@@H]1C[C@H](F)CN1)c1cnc2ccccn2c1=O 366525212 NFENHJARDSYJCS-UWVGGRQHSA-N 290.298 0.124 0 50 CCAA COC[C@]1(C)NC(=O)N(c2cccnc2OC)C1=O 900195697 CXFAOUPZENSGOD-LBPRGKRZSA-N 265.269 0.552 0 50 CCAA CCN(CC)S(=O)(=O)N1Cc2c[nH]nc2C[C@@H](C)C1 952993503 IAKDZFYKEQMRHT-SNVBAGLBSA-N 286.401 0.991 0 50 CCAA Cc1nc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)no1 1875279309 OROHNJAFWKQBQE-NXEZZACHSA-N 290.245 0.650 0 50 CCAA Cc1cccc(C)c1-n1nnnc1Cn1c(C)noc1=O 1875391627 LFYIFJVOAHHBEY-UHFFFAOYSA-N 286.295 0.786 0 50 CCAA C[C@H](NC[C@H]1CC12CCS(=O)(=O)CC2)C(=O)O 1875335483 OCOAHBCMSKVHIJ-DTWKUNHWSA-N 261.343 0.264 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC1(c2nn[nH]n2)CCCC1 1875371763 LKXMXTBPYRSAJA-UHFFFAOYSA-N 292.343 0.120 0 50 CCAA O=S(=O)(C[C@H]1CCOC1)NC1CN(c2ccccn2)C1 1775991183 QCOLUNNFSUBWTD-NSHDSACASA-N 297.380 0.226 0 50 CCAA Cc1cc(C)c(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)[nH]1 1775987893 MZKKWSMZQZBFSY-SNVBAGLBSA-N 285.369 0.382 0 50 CCAA Cc1cnc2c(C(=O)NC/C=C/S(C)(=O)=O)ncn2c1 1776006993 DQAXOMWNSLWZMR-HWKANZROSA-N 294.336 0.326 0 50 CCAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1cccn(C)c1=O 269193697 RXJRGFVUDHOFKX-PWSUYJOCSA-N 263.341 0.727 0 50 CCAA O=C(c1ccc2c(c1)OCO2)N1CCOC[C@@H](CO)C1 77408303 NOZXGIOJVQWJRU-SNVBAGLBSA-N 279.292 0.496 0 50 CCAA Cc1ncn(CCNC(=O)c2c[nH]c(=O)cn2)c1C 828930852 WVNXBOADYSMNOG-UHFFFAOYSA-N 261.285 0.013 0 50 CCAA O=C1NC[C@H]2CC[C@H]1N2C(=O)[C@H]1CCCN1C1CC1 2325790099 MYSCMMHYUPXPSU-IJLUTSLNSA-N 263.341 0.103 0 50 CCAA C[C@@H](C(=O)N[C@H](c1nn[nH]n1)C1CC1)n1cccc1 2325806891 MUVKSAKPFSILNW-WPRPVWTQSA-N 260.301 0.830 0 50 CCAA COCCN(Cc1cccs1)C(=O)NCC(=O)N(C)C 53977007 NAIFPOPSPSANJO-UHFFFAOYSA-N 299.396 0.994 0 50 CCAA O=C(NC1CC1)[C@@H]1CCCN1c1cn[nH]c(=O)c1Cl 134896219 YKLKHLHJNFTTNY-QMMMGPOBSA-N 282.731 0.671 0 50 CCAA CN1CCN(CCOCCOc2ccccc2CO)CC1 20653545 NDDMJSVBXSESNM-UHFFFAOYSA-N 294.395 0.822 0 50 CCAA CN(c1ccc(OCC(=O)NC2CC2)cc1)S(C)(=O)=O 22230398 UADGCEGNJWTQKK-UHFFFAOYSA-N 298.364 0.740 0 50 CCAA C[C@H](C(=O)O)n1c(CN2CCCCC2)n[nH]c1=O 65394831 DSRZQTMYLVWBGH-MRVPVSSYSA-N 254.290 0.203 0 50 CCAA CC(C)Oc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1 151036240 PPIRPWOCNGFVSA-STQMWFEESA-N 278.352 0.813 0 50 CCAA NC(=O)N[C@@H]1CSC[C@@H]1OC(=O)c1ccccc1 288926 KIDXIMLQNCLUNO-ZJUUUORDSA-N 266.322 0.996 0 50 CCAA biogenic O=C(CCc1cccnc1)N1CC(N2CCOCC2)C1 219853625 ACIJAGPXBCXCGA-UHFFFAOYSA-N 275.352 0.557 0 50 CCAA COc1ccc(O)c(C(=O)N[C@@H]2CNC(=O)C2)c1 230655494 XGMIQCAZOUYHTL-ZETCQYMHSA-N 250.254 0.019 0 50 CCAA N=c1[nH]nc(CNC(=O)c2cnnc(-c3ccccc3)c2)o1 355893121 CHNHRRDEDLZDIC-UHFFFAOYSA-N 296.290 0.869 0 50 CCAA C[C@@H]1CCCN(C(=O)c2nc(Cn3cncn3)no2)C1 329676788 PSJDSZKUQYXCEM-SECBINFHSA-N 276.300 0.582 0 50 CCAA Cc1nc(CC(C)C)cc(C(=O)N2CCOC[C@H](O)C2)n1 77303930 LTRLAZRTEUOUMZ-CYBMUJFWSA-N 293.367 0.817 0 50 CCAA CC(C)(C)n1cc(CN2C[C@@H](F)C[C@H]2CO)nn1 365254325 HCVNWGMWJNHWFO-ONGXEEELSA-N 256.325 0.938 0 50 CCAA C[C@]1(O)CCCN(Cc2cn[nH]c2C(=O)O)CC1 216265539 ASZQSFAGQUOMAO-LBPRGKRZSA-N 253.302 0.845 0 50 CCAA CSc1ncc(CN2CCN(C(=O)N(C)C)CC2)cn1 215882294 PCUFUAVGARWOIW-UHFFFAOYSA-N 295.412 0.998 0 50 CCAA COCCS(=O)(=O)N1C[C@@H](CO)Oc2ccccc21 378112927 QBABBTSOVLGQBZ-JTQLQIEISA-N 287.337 0.223 0 50 CCAA O=C(Nc1nnc2ccccn12)[C@@H]1CC(F)(F)CN1 263052477 UPTFDHIEEASMCX-ZETCQYMHSA-N 267.239 0.665 0 50 CCAA Cc1ncc(C(=O)NCC2(O)CCOCC2)s1 174811207 YCYJNAODFVWMGE-UHFFFAOYSA-N 256.327 0.723 0 50 CCAA C[C@@H](C(=O)NCCc1cc[nH]n1)N1CCCCC1 426674011 HXDWDGKVGOGIQG-NSHDSACASA-N 250.346 0.943 0 50 CCAA Nc1nc(C2CC(N)C2)cc(N2CCC(CCO)CC2)n1 223292982 BIRRZUVYWNUULR-UHFFFAOYSA-N 291.399 0.862 0 50 CCAA CC(C)c1nccc(CN2CC[C@@H](N)[C@H](O)C2)n1 426613662 RRECDHAFAJOOJE-VXGBXAGGSA-N 250.346 0.494 0 50 CCAA Cc1n[nH]nc1C(=O)NC[C@@H]1CCN(CC(C)C)C1 194306874 OIASIJUZESIQSZ-NSHDSACASA-N 265.361 0.821 0 50 CCAA C[C@@H](CNS(=O)(=O)C1CC1)NCc1ccc(CN)cc1 426535289 XBYNWSKXAYCDMY-NSHDSACASA-N 297.424 0.705 0 50 CCAA COC[C@]1(O)CCN(C(=O)c2cc(O)no2)CC1(C)C 91605001 MMHGANWWUYFCLS-CYBMUJFWSA-N 284.312 0.630 0 50 CCAA CC[C@H](C(=O)NCCN1CCOC1=O)n1cccn1 91621513 OKFNWKIULYQDRZ-SNVBAGLBSA-N 266.301 0.403 0 50 CCAA CCCN1CCC(CC(=O)NCc2nnn[nH]2)CC1 95361374 HMEKMJCMESMFMD-UHFFFAOYSA-N 266.349 0.328 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)CCc1nc(Cl)n[nH]1 244742203 ODOUIPIFZQBIKR-HTQZYQBOSA-N 288.735 0.311 0 50 CCAA COC(=O)c1ccc(CC(=O)N2CC(N(C)C)C2)cc1 295611256 VIKXBOHSRBUGBY-UHFFFAOYSA-N 276.336 0.788 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)[C@H]1Cc2cccc(F)c2O1 299746834 BHFKSFVWWCGPBV-WDEREUQCSA-N 295.266 0.441 0 50 CCAA COCCCn1cnnc1CNC(=O)[C@@H]1CCCCN1C 299774337 GRELFKXEXOGPHV-LBPRGKRZSA-N 295.387 0.415 0 50 CCAA O=C(Cc1cccnc1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299795126 KTLGZTJLANABGC-UONOGXRCSA-N 299.334 0.588 0 50 CCAA Cc1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)O)nn1C 655599147 KUDGTPLBRAEPOQ-GFCCVEGCSA-N 288.307 0.549 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)Cc2ccccn2)C1 584901327 KHPAHZVXLPAAOX-NSHDSACASA-N 261.325 0.609 0 50 CCAA COCCn1cnnc1CN(C)Cc1cnc(C)cn1 670467808 VYMHDXKQZUPGGJ-UHFFFAOYSA-N 276.344 0.655 0 50 CCAA COC[C@H]1CN(C(=O)c2oc(C)nc2C)CCO1 408274114 WBAVPFGBGXYWOX-SNVBAGLBSA-N 254.286 0.779 0 50 CCAA CC(C)n1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)n1 408516513 AVYFJZVFOKJAPE-LLVKDONJSA-N 295.387 0.260 0 50 CCAA O=C(CCn1cncn1)N1CCc2ccccc2[C@@H]1CO 270424177 DSNZNENVVVZKNJ-AWEZNQCLSA-N 286.335 0.787 0 50 CCAA CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl 170624185 RZWFWXJSYGNFLM-XQRVVYSFSA-N 283.719 0.608 0 50 CCAA C[C@H](N)C1CCN(C(=O)C(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)CC1 579822805 XILOUPHCGOCJNT-CYZMBNFOSA-N 293.411 0.687 0 50 CCAA CC[C@]1(C)CN(C(=O)NCCCn2ccnn2)CCO1 188265060 LXWGLWAUDVQQRU-CYBMUJFWSA-N 281.360 0.879 0 50 CCAA CCOC(=O)CN(C)C1CN(C(=O)c2cc(C)sn2)C1 585130091 HHOSNDWDCYHVSB-UHFFFAOYSA-N 297.380 0.771 0 50 CCAA COc1ncncc1CN[C@H]1CCO[C@]2(CCOC2)C1 647198575 NDHVJWOWGAALSL-GXTWGEPZSA-N 279.340 0.913 0 50 CCAA CCCC[C@H](CN)NC(=O)C(C)(C)N1CCNCC1 564716687 QVPLKVPJZQNFNI-GFCCVEGCSA-N 270.421 0.304 0 50 CCAA C[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1ccns1 926774459 ONCPBPBXPNDIJV-QMMMGPOBSA-N 290.414 0.284 0 50 CCAA O=C(O)CCC(=O)NS(=O)(=O)c1ccccc1 2385975 NVDKGZPVBHGXEZ-UHFFFAOYSA-N 257.267 0.356 0 50 CCAA in-vitro CC(C)n1cc(C(=O)N[C@H]2CCOC[C@@H]2O)cn1 629234589 DNIBCULISVAOJD-QWRGUYRKSA-N 253.302 0.344 0 50 CCAA CC(=O)N1CC[C@](N)(C(=O)Nc2cncc(C)c2)C1 649331867 BSHGNWKXXCZFNL-CYBMUJFWSA-N 262.313 0.278 0 50 CCAA Cn1cncc1C(=O)N1CCCN([C@@H]2CCOC2)CC1 1800413397 FTEPFMOBOJOBFM-GFCCVEGCSA-N 278.356 0.357 0 50 CCAA CS(=O)(=O)N1CCN(Cc2cccnc2)CC1 19790254 BLTMPDHZIKQDNY-UHFFFAOYSA-N 255.343 0.159 0 50 CCAA Cc1nc(CN2CCCN([C@H]3CCOC3=O)CC2)no1 247238740 SBIVMCXSRHUBAO-NSHDSACASA-N 280.328 0.201 0 50 CCAA O=C(NCCCn1ccnc1)[C@H]1CCn2nccc2C1 1857709494 AMAIDJXZAMVQDY-LBPRGKRZSA-N 273.340 0.849 0 50 CCAA Cc1nc(N2CC[C@H](CO)[C@H](O)C2)nc2c1CCCC2 1857737810 DQZXTMAHMWABPW-BXUZGUMPSA-N 277.368 0.843 0 50 CCAA OC[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(F)cc2)no1 624071130 XKUAYFPCRKXRFY-WDEREUQCSA-N 279.271 0.808 0 50 CCAA O=C(O)[C@H]1CN(C(=O)N[C@@H]2CCCn3nccc32)CCO1 635524950 OYEUPXRMEQUJTF-MWLCHTKSSA-N 294.311 0.213 0 50 CCAA COCCn1nnnc1NC(=O)c1ccc(C)nc1 906299914 GWJPWDXGBFNMKV-UHFFFAOYSA-N 262.273 0.275 0 50 CCAA COC[C@](C)(O)C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 910474214 XJWMVARCCRPKON-ZOWXZIJZSA-N 293.319 0.813 0 50 CCAA CCn1nc(C)c(CN2CCC[C@H]2CN2CCOCC2)n1 823413699 KFFJFGFZRIRRNP-AWEZNQCLSA-N 293.415 0.903 0 50 CCAA CCn1nnc(C)c1CN1CCC[C@H](Cc2nn[nH]n2)C1 952881331 GTRKWQIGQZCPFB-LLVKDONJSA-N 290.375 0.574 0 50 CCAA COC[C@H](NC(=O)c1cc2cccc(C)c2[nH]1)C(N)=O 1875253842 JNEXPHRGQQPBSE-NSHDSACASA-N 275.308 0.706 0 50 CCAA CCCc1n[nH]cc1C(=O)NCc1nc(C(N)=O)cs1 1875268069 LPNIEJQHQSELDD-UHFFFAOYSA-N 293.352 0.848 0 50 CCAA Cn1nccc1[C@H](N)C(=O)Nc1ccc2c(=O)[nH]ccc2c1 1875350576 SESFZIIQAIQSLY-ZDUSSCGKSA-N 297.318 0.900 0 50 CCAA O=C(NCc1ccnn1[C@H]1CC1(F)F)Nc1cnn[nH]1 1875332675 DXEVQQMMHNULPY-ZETCQYMHSA-N 283.242 0.903 0 50 CCAA Cn1cnnc1C[C@@]1(O)CCCN(CC(F)(F)F)C1 888077041 FRZLVMYORMDLLP-JTQLQIEISA-N 278.278 0.747 0 50 CCAA C[C@@H]1CO[C@@H](C(=O)NS(=O)(=O)Cc2cccnc2)C1 1774746361 ZZRVCULOIYHNGR-GXSJLCMTSA-N 284.337 0.453 0 50 CCAA CO[C@@H](C)CS(=O)(=O)Nc1n[nH]cc1Cl 1775987489 HHSBEJJXDGZCJW-YFKPBYRVSA-N 253.711 0.840 0 50 CCAA CS(=O)(=O)CCN1CCCN(C2CCCC2)CC1 172585053 LWERHMKXUIZAAE-UHFFFAOYSA-N 274.430 0.981 0 50 CCAA CCc1cc(C(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)n(C)n1 634804986 ZZBFKNSQYSXPTC-WAAGHKOSSA-N 265.313 0.918 0 50 CCAA CO[C@H]1CN[C@@H](C(=O)N(C)Cc2ncc(Cl)n2C)C1 818604449 FKGQZFHADIDSQO-RKDXNWHRSA-N 286.763 0.409 0 50 CCAA CO[C@@H](C)CNC(=O)c1cccc(-c2nc(O)n[nH]2)c1 2325815451 DPGBUCZESXUITA-QMMMGPOBSA-N 276.296 0.942 0 50 CCAA COC(=O)[C@H](CCCN)NC(=O)c1ccccc1 1576210 RDQQPDCPZUNFDX-NSHDSACASA-N 250.298 0.697 0 50 CCAA O[C@H]1CCN(c2nccn3c(-c4cncnc4)cnc23)C1 2356142382 PVMSDJPELKIHPT-NSHDSACASA-N 282.307 0.757 0 50 CCAA C[C@@H](NC(=O)[C@@H]1CCCc2cccnc21)c1nnnn1C 225509216 BZKYIXIEPBSAAD-MWLCHTKSSA-N 286.339 0.902 0 50 CCAA C[C@@H]1CCC[C@@H]1OC[C@H](O)CN1CCN(C)CC1 22823079 IPEVRAKFVVFBAI-MCIONIFRSA-N 256.390 0.800 0 50 CCAA Cc1nsc(NC(=O)NC[C@@H]2COCCO2)n1 55369248 AZVXVVOZXGXBCC-SSDOTTSWSA-N 258.303 0.383 0 50 CCAA CCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3)n(C)c1=O 10386971 BCJMJMBTQKYTHJ-QMMMGPOBSA-N 290.327 0.669 0 50 CCAA CN(Cc1ncc[nH]1)c1nccc(N2CC[C@H](O)C2)n1 65404994 SMYVOLFQNUWDJY-JTQLQIEISA-N 274.328 0.407 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)CCO1 117636754 DSJCOZHWSPRCQI-NNYUYHANSA-N 265.309 0.901 0 50 CCAA NC(=O)CNCc1ccc(O[C@@]23CCCN(CC2)C3)cc1 67673516 GVYBCOPRYKRMAD-INIZCTEOSA-N 289.379 0.879 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cc2n(n1)CCNC2 67458162 ATKNWFOOPSFTEC-QMMMGPOBSA-N 288.355 0.817 0 50 CCAA C[C@@H]1C[C@H]1NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 125027328 RGTYEXPRCKIEIP-HLTSFMKQSA-N 262.375 0.475 0 50 CCAA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1cn[nH]c1 219772095 FIMLDOWBZSHPSN-VXGBXAGGSA-N 288.307 0.771 0 50 CCAA CN(CC(=N)O)C[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1 331254012 WHRPJPMKQAINBW-LLVKDONJSA-N 280.328 0.323 0 50 CCAA CCCNC(=O)C(=O)N1CCC2(CCOCC2)CC1 71756775 DLTUMYVLPBZBPD-UHFFFAOYSA-N 268.357 0.932 0 50 CCAA CN1CCCN(S(=O)(=O)NCc2ccccc2)CC1 71746521 NVAKMVQCMMRNOF-UHFFFAOYSA-N 283.397 0.659 0 50 CCAA CCC(CC)N1C[C@@H](C(=O)NCCC(=O)O)CC1=O 154805134 RTZXLWCGENAETR-VIFPVBQESA-N 270.329 0.614 0 50 CCAA CC(C)c1nccn1CCC(=O)N[C@H]1CCNC1 127152595 OJBIKRHZFMBBQW-NSHDSACASA-N 250.346 0.875 0 50 CCAA Cc1cc(C)nc(CCNC(=O)c2cnc(N)nc2C)n1 216469139 BHAFOMGLUOVOEV-UHFFFAOYSA-N 286.339 0.747 0 50 CCAA Cc1nc2cc(CNC(=O)C3=NNC(=O)CC3)ccc2n1C 75014419 WJVWHVPIXYPNGH-UHFFFAOYSA-N 299.334 0.764 0 50 CCAA CC(C)(N)CC(=O)N1CCC[C@@H](Cn2cncn2)C1 236828812 SGDSRNNFWWCNMX-LLVKDONJSA-N 265.361 0.644 0 50 CCAA CN(Cc1cc[nH]n1)c1cc(N2CCOCC2)ncn1 333489564 UIRNQIKKGSQXHI-UHFFFAOYSA-N 274.328 0.673 0 50 CCAA C[C@@H](O)C(=O)N(C)Cc1nc(-c2ccncc2)no1 77378397 DTDZOBVBIMTQQO-MRVPVSSYSA-N 262.269 0.471 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)Cc1ccc(O)c(F)c1 72409118 NYPRAPNDUSOCJG-JTQLQIEISA-N 297.282 0.776 0 50 CCAA CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 44884887 OKGDPLFFYVEBOT-JTQLQIEISA-N 277.390 0.031 0 50 CCAA CC[C@@H](NC(=O)c1cnc(N)nc1C)C1CC(O)C1 222571923 BPTIUOOCTVLDFX-NWGYLPEXSA-N 264.329 0.647 0 50 CCAA Cc1cc(=O)c(C(=O)NC[C@@]2(C)CCCO2)c[nH]1 228305726 ROJRSWBVHZNJTN-CYBMUJFWSA-N 250.298 0.982 0 50 CCAA C[C@H]1CN(C(=O)c2nc[nH]c3nccc2-3)C[C@H](CO)O1 613859060 XXBZCDGYVKTOGA-DTWKUNHWSA-N 276.296 0.131 0 50 CCAA Cc1cccnc1CN1CCN(c2ncncn2)CC1 223845693 RLXAUGXPEOAZBV-UHFFFAOYSA-N 270.340 0.897 0 50 CCAA O=C(NCCn1ncc2ccccc2c1=O)c1cnc[nH]1 223056334 JVZWHARDSOBIKN-UHFFFAOYSA-N 283.291 0.550 0 50 CCAA O=C(CCc1ccccc1)N[C@@H]1CCOC[C@H]1OCCO 222828390 RVGCBYHUFAMCLM-HUUCEWRRSA-N 293.363 0.902 0 50 CCAA Cn1ccnc1-c1ccc(C(=O)NCCOCCO)cc1 426589736 HLQAPFGJAYHTSQ-UHFFFAOYSA-N 289.335 0.826 0 50 CCAA CCn1cncc1CNC(=O)[C@H]1Cc2ccccc2C(=O)N1 426491050 NLVQKOVIUGOGLV-CQSZACIVSA-N 298.346 0.874 0 50 CCAA COCc1nc(C)c(CNC(=O)[C@H]2CC(=O)N(C)C2)s1 426677978 IXZNGXXJVMYERX-VIFPVBQESA-N 297.380 0.692 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)c1C 97402364 SYPGEZZBUASXLL-JTQLQIEISA-N 283.353 0.386 0 50 CCAA COc1ncnc(OC)c1C(=O)N1C[C@@H](C)N[C@H](C)C1 179152315 IKXOTMGTPDQFRQ-RKDXNWHRSA-N 280.328 0.316 0 50 CCAA CCCn1cc(C(=O)N2CCOC[C@@H]2CO)c(C)n1 92099741 RNBCLLIFFDWBJX-NSHDSACASA-N 267.329 0.435 0 50 CCAA Cc1nc(CCNC(=O)[C@@H]2CCCN(C(C)C)C2)n[nH]1 91848753 JOWKWTKYEKBBQO-GFCCVEGCSA-N 279.388 0.892 0 50 CCAA Cc1nc(C)c(CC(=O)N[C@H]2C=CS(=O)(=O)C2)s1 97463486 ADGYMBWDQMQFJH-VIFPVBQESA-N 286.378 0.729 0 50 CCAA O=C([C@@H]1COCCN1)N1CCO[C@@H](c2ccccc2F)C1 237879311 KECRAOCAUAHJFM-UONOGXRCSA-N 294.326 0.714 0 50 CCAA COC[C@]1(O)CCN(C(=O)c2ccnc(N)c2)CC1(C)C 91987238 RCBQNLXOXZDUPS-OAHLLOKOSA-N 293.367 0.913 0 50 CCAA COCCNC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 245316891 LBQKLWSATKNSSZ-RWMBFGLXSA-N 267.373 0.759 0 50 CCAA COC[C@H]1CCN(CC(=O)Nc2ccn(C)n2)C1 252509100 YCLUIPHAWDEZHZ-JTQLQIEISA-N 252.318 0.327 0 50 CCAA Cc1ocnc1C(=O)NCC[C@H](C)N1CCN(C)CC1 534647229 AJILGERWIAGTAP-NSHDSACASA-N 280.372 0.739 0 50 CCAA CO[C@@H]1CC[C@H](C(=O)N2CCCC2)C[C@H]1NC(C)=O 1940198470 YAWNJWKGMLDAIX-YNEHKIRRSA-N 268.357 0.929 0 50 CCAA CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(O)nc1O 584893072 QTJUBAYXSVICIE-BDAKNGLRSA-N 278.312 0.197 0 50 CCAA CCN1CCN(C(=O)[C@H](C)n2cc(C)cn2)CC1=O 584884729 LHUSXXYZHIPBEM-NSHDSACASA-N 264.329 0.443 0 50 CCAA CC1(C(=O)N2CCN([C@@H]3CN4CCC3CC4)CC2)COC1 584902717 RPLZVEJRPQWWFU-CQSZACIVSA-N 293.411 0.261 0 50 CCAA Cc1cc(N)n(CC(=O)NC[C@H](C)Oc2cccnc2)n1 952985813 HKPYEIVISSICEQ-NSHDSACASA-N 289.339 0.752 0 50 CCAA C[C@@H]1CN(CC(C)(C)O)CCN1c1nccn2cnnc12 269350865 MTNJTZFETLGSKS-LLVKDONJSA-N 290.371 0.406 0 50 CCAA CN1C[C@H](C(=O)N(CC(C)(C)O)C2CC2)CC1=O 408375755 PQSTZGXSOCKHGU-SECBINFHSA-N 254.330 0.227 0 50 CCAA NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1CCCCC(=O)N1 408515168 BZCHZFNHWUPOBR-NOHGZBONSA-N 293.367 0.158 0 50 CCAA CC[C@@H]1CN(C(=O)NC[C@H]2CCCO2)CCN1C[C@@H](C)O 221714731 XSMIJWXVVGJOAI-MGPQQGTHSA-N 299.415 0.652 0 50 CCAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccnnc2)C1 276650113 YDMBNDIGCZDBMI-AWEZNQCLSA-N 290.367 0.659 0 50 CCAA COc1cccc(CC(=O)NN2CCCCC2=O)n1 170600239 XJNRZQWYUSCARX-UHFFFAOYSA-N 263.297 0.676 0 50 CCAA COC(=O)[C@@H](NCc1ccccc1OC)[C@H](C)O 170606976 YOAVUFRRVSGUKQ-CABZTGNLSA-N 253.298 0.707 0 50 CCAA C=CC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 585124732 PQGGBMSLBIIFRU-LLVKDONJSA-N 289.401 0.243 0 50 CCAA Cn1cc(-c2cncc(C(=O)N[C@H]3CNC(=O)C3)c2)cn1 680455776 LTEHMLGVNUYQEL-GFCCVEGCSA-N 285.307 0.100 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccc[nH]2)C1 644033642 YGNSYXLZYDEPAR-CYBMUJFWSA-N 265.313 0.118 0 50 CCAA Cc1nccc(CCC(=O)N2CCOC[C@@H]2C(=O)O)n1 647733487 FXWDYESBCWJJDP-LLVKDONJSA-N 279.296 0.030 0 50 CCAA CC(C)N1CCC[C@@H](N[C@H]2C(=O)NCC[C@H]2C)C1=O 193623713 LEUFXQDKGCAWTM-IJLUTSLNSA-N 267.373 0.500 0 50 CCAA C[C@H]1CN(C(=O)CN2CCCN3CCC[C@H]3C2)C[C@@H](C)O1 1506397862 YATULJOYVSVHLE-ZNMIVQPWSA-N 295.427 0.792 0 50 CCAA CCCO[C@H]1CCCN(C(=O)C2(O)CCN(C)CC2)C1 1506397541 WCWAUDPWNZFYOY-ZDUSSCGKSA-N 284.400 0.861 0 50 CCAA CCc1ncnc(N2CC(=O)N(C)[C@H](C)C2)c1F 242191264 XEDZYBPHEZBQIS-MRVPVSSYSA-N 252.293 0.845 0 50 CCAA Cc1nonc1OCCNc1ncc(F)c(N(C)C)n1 1704336920 MMDLAMHBXCTHGP-UHFFFAOYSA-N 282.279 0.864 0 50 CCAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 848978922 BRMKVQYNOIAGPQ-LLVKDONJSA-N 252.314 0.270 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC12COC2 496731627 UCKYBMSDEKBTIK-SNVBAGLBSA-N 282.340 0.997 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)NCC1(CCO)CCCC1 261999871 ULHISTNHYCUASO-NEPJUHHUSA-N 270.373 0.422 0 50 CCAA CCn1nc(CO)c2c1CCN(CC[C@H]1COCCO1)C2 1775980952 MDRBQWKPYMLMIM-LBPRGKRZSA-N 295.383 0.559 0 50 CCAA COCCN1C[C@@H](C(=O)NC2CCC2)CCC1=O 12703630 PKLLLRPUJVSUDO-JTQLQIEISA-N 254.330 0.540 0 50 CCAA NC(=O)C1CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1 19955593 ZKZIFAVTFJBJGS-UHFFFAOYSA-N 286.335 0.620 0 50 CCAA O=C(CNc1cccnc1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857721727 CTHSIBNKOFKJCN-XBFCOCLRSA-N 291.351 0.492 0 50 CCAA CCO[C@H]1C[C@H]1C(=O)N1CCC(n2cnnc2O)CC1 536101832 CLJJUIQCLBCWET-MNOVXSKESA-N 280.328 0.572 0 50 CCAA NC(=O)[C@@H]1CN(Cc2ccc3cn[nH]c3c2)CCO1 126229762 YCSRVKZGJMDRCL-LBPRGKRZSA-N 260.297 0.249 0 50 CCAA NC(=O)c1csc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1 136163036 QLMVBFQZSAVXIP-SSDOTTSWSA-N 282.321 0.784 0 50 CCAA Cc1cncc(NC(=O)[C@]23CNC[C@H]2CCOC3)c1 1263100737 WYWJDXUCLWXACP-RISCZKNCSA-N 261.325 0.955 0 50 CCAA C=CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 1120461220 YUDWMNYMCPQNNH-OLZOCXBDSA-N 281.400 0.866 0 50 CCAA C[C@@H](OC(=O)C1(n2cnnn2)CCCCC1)C(=O)N(C)C 845304572 BJGQYVSSIIJMAD-SNVBAGLBSA-N 295.343 0.352 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)O[C@H]2COC[C@@H]21 1857779227 IUZQDJIWGFRUJE-YIZRAAEISA-N 273.285 0.474 0 50 CCAA CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CN3CCC2CC3)C1 950914056 IUECVPYOPOVPNX-KGLIPLIRSA-N 293.411 0.845 0 50 CCAA C[C@@H](CN1CCOCC1)N(C)Cc1cccnc1N 952882737 KJWXTSGLCAIMDH-LBPRGKRZSA-N 264.373 0.816 0 50 CCAA Cc1nnc(N(C)CCc2nccc(O)n2)nc1C 1875288211 SJSHGJQWMSQRCH-UHFFFAOYSA-N 260.301 0.663 0 50 CCAA O=C1NC(=O)[C@H]2CN(c3cc(Br)ccn3)C[C@@H]12 1875286702 BJUZPJVQALRXSW-OCAPTIKFSA-N 296.124 0.553 0 50 CCAA COc1cccc2c1OC[C@@H](N[C@@H]1CCCNC1=O)C2 1875262560 WUDULQSBAFXLAI-NWDGAFQWSA-N 276.336 0.867 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@H](OC)C1CC(F)(F)C1 1875370515 RRDYYJIKSXFSSR-JTQLQIEISA-N 290.310 0.807 0 50 CCAA O=C(O)c1cc(CCNC(=O)[C@H]2C[C@@H]3CC[C@@H]32)[nH]n1 1875313396 MQMRXZAOBUOGCB-HGNGGELXSA-N 263.297 0.813 0 50 CCAA Cc1nnc2ccc(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)cn12 1772983272 JSFGMKKHRAHZFP-OAHLLOKOSA-N 299.334 0.390 0 50 CCAA Cn1cnc(NC(=O)c2cccc3c2OCCO3)n1 293709487 PROQYJVAYCYXIO-UHFFFAOYSA-N 260.253 0.839 0 50 CCAA CN1C[C@@H](NC(=O)Cc2ccc(O)cc2)CCC1=O 82284448 UUGRHZRWMZBULO-NSHDSACASA-N 262.309 0.672 0 50 CCAA CC(C)[C@H](NC(=O)N(C)Cc1ccon1)C(=O)O 426556020 PMDJBTPUHQCMFX-VIFPVBQESA-N 255.274 0.925 0 50 CCAA OCC[C@H]1CN(CCc2ccc3c(c2)CCO3)CCN1 710471269 BKJKTQUTWGSIIQ-HNNXBMFYSA-N 276.380 0.820 0 50 CCAA Oc1cccc(N2CCN(C[C@H]3CNCCO3)CC2)c1 864096801 IERKNZAISPFVTP-OAHLLOKOSA-N 277.368 0.503 0 50 CCAA O[C@H]1C[C@H](O)C12CCCN(Cc1cncs1)C2 2325792539 PFMAYDOMEQTDNL-QWRGUYRKSA-N 254.355 0.851 0 50 CCAA CC1(C)OC[C@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2O)O1 4353178 KEJGAYKWRDILTF-ZOZBQHSOSA-N 260.286 0.375 0 50 CCAA biogenic CN(C)c1nc2c(c(N3CCC(N)CC3)n1)CCNC2 67789802 BDJLMMFZOHMMSB-UHFFFAOYSA-N 276.388 0.116 0 50 CCAA C[C@H]1CN(CC(=O)N2CC[C@]3(CCCNC3)C2)C[C@@H](C)O1 67740897 NGRFOGBPJVFMFT-LZWOXQAQSA-N 295.427 0.698 0 50 CCAA CCCN1CCO[C@@H](CCNC(=O)c2c[nH]c(=O)cn2)C1 67772578 KYMALTIORVUZFG-NSHDSACASA-N 294.355 0.001 0 50 CCAA CC(=O)Nc1ccc(NC(=O)CN2CC(=O)NC2=O)cc1 350553982 FVEYYFFPPZBLPB-UHFFFAOYSA-N 290.279 0.135 0 50 CCAA Cc1noc(C)c1[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 152576812 VCSPIORCHLZZRH-KCJUWKMLSA-N 279.340 0.989 0 50 CCAA CN(C)c1ncccc1-c1nc(N2CCOCC2)n(C)n1 1875244204 DHELVWKCBZVIQY-UHFFFAOYSA-N 288.355 0.780 0 50 CCAA CCn1nc(C(=O)O)c2c1CC[C@@H](NCCC(=O)OC)C2 67974018 BLMGQWIEXXBWSY-SECBINFHSA-N 295.339 0.611 0 50 CCAA O=C1CCCCCN1CC(=O)N1[C@H]2CC[C@@H]1CCNC2 65532464 HAHXZCIOUKPIPD-OLZOCXBDSA-N 279.384 0.742 0 50 CCAA O=S(=O)(CC1CC1)NC[C@H]1CCCCS1(=O)=O 329679962 XPXVJEIBIUSKHR-SNVBAGLBSA-N 281.399 0.283 0 50 CCAA CC[C@@H](NC(=O)[C@H]1CCCCC(=O)N1)C(C)(C)O 358576118 GHBAFXHLPAFBBA-NXEZZACHSA-N 256.346 0.711 0 50 CCAA CC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c(O)n2)cc1 33021 NGAKWXKOJXUODR-UHFFFAOYSA-N 273.248 0.930 0 50 CCAA C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H](C2CC2)O1 329929682 ZAOYMEYUICGTEW-SCZZXKLOSA-N 252.318 0.108 0 50 CCAA CON1CCN(CCCN2CCN(C(C)C)CC2)CC1 328597402 GTTWCIUXWIXYOS-UHFFFAOYSA-N 284.448 0.582 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N(C)C1CCNCC1 237078089 PUYOJPMUAURFGO-UHFFFAOYSA-N 280.372 0.626 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)c1ccnc(-n2ccnc2)c1 262688152 FENPAGGGXLRMJW-NSHDSACASA-N 286.291 0.957 0 50 CCAA COC[C@]1(C(=O)O)CCCN(C(=O)[C@@H](C)n2cccn2)C1 262806917 DBEHQYKYUCWOGC-RISCZKNCSA-N 295.339 0.784 0 50 CCAA CCNc1ncc(CN(C)[C@@H]2CCS(=O)(=O)C2)cn1 215507833 PRPYBQYRVSNKQK-LLVKDONJSA-N 284.385 0.527 0 50 CCAA Cn1cncc1C(=O)N1CC2(CCNCC2)C[C@@H]1C(=O)O 72153856 KWENBAKITMDVCM-SNVBAGLBSA-N 292.339 0.089 0 50 CCAA Cn1ccnc1-c1nccn1C[C@@H]1CCS(=O)(=O)C1 71762929 QXJKDEFZQXFHEM-JTQLQIEISA-N 280.353 0.718 0 50 CCAA COc1ccc(C2(C(=O)N[C@@H]3CCOC[C@H]3O)CC2)cc1 223265573 MKLAKLKWUPIYAF-ZIAGYGMSSA-N 291.347 0.993 0 50 CCAA Cc1ccc2nc(C)c(C(=O)NCCCc3nn[nH]n3)n2c1 426428013 MHUFGXAMQQROQE-UHFFFAOYSA-N 299.338 0.827 0 50 CCAA Cc1csc(S(=O)(=O)N[C@@H]2CCCNC2=O)c1 336267612 ZQQUTZGRLGNHIA-MRVPVSSYSA-N 274.367 0.613 0 50 CCAA CCOCCC(=O)N1CCC(c2nc(N)n[nH]2)CC1 426730555 VYZHOSNFAJKTKQ-UHFFFAOYSA-N 267.333 0.520 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)c2ccc(O)nn2)C1 91534911 CBJUECQBDQVZQO-AWEZNQCLSA-N 295.339 0.433 0 50 CCAA CC(=O)Nc1ncc(C(=O)N2CC[C@](C)(O)[C@@H](O)C2)s1 97402564 TVTDMZSRDOCETI-CABZTGNLSA-N 299.352 0.059 0 50 CCAA CC(C)CNC(=O)Cn1cnc2cnccc2c1=O 181268300 PZVMZZLDBOOVIZ-UHFFFAOYSA-N 260.297 0.564 0 50 CCAA CCc1cccc(NC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)n1 1940195785 MOKQGJBIFUYSFR-JTQLQIEISA-N 290.323 0.865 0 50 CCAA CN1CCC(OCCCNC(=O)c2cnc[nH]2)CC1 299783844 GVWLZAPEIBXETE-UHFFFAOYSA-N 266.345 0.640 0 50 CCAA COCCn1ccnc1CN1CCN2C(=O)OC[C@@H]2C1 824466466 SOQOMNLZLCIKTK-NSHDSACASA-N 280.328 0.166 0 50 CCAA CC(=O)NC(C)(C)C[C@H](C)NC1CCS(=O)(=O)CC1 820978091 CDCLAYFDMDMNPW-JTQLQIEISA-N 290.429 0.847 0 50 CCAA CCCc1noc(CN(C)C(=O)c2[nH]nnc2C)n1 584887367 BKYOXPRCHXTJMX-UHFFFAOYSA-N 264.289 0.721 0 50 CCAA COC(=O)c1ccc(S(=O)(=O)N(C)Cc2cn[nH]c2)o1 585135128 YVVZPZJTHKFQCH-UHFFFAOYSA-N 299.308 0.610 0 50 CCAA O=c1c2c(F)cccc2ncn1C[C@@H]1CCNC[C@H]1O 670453111 GOPPTFXEEZPXFW-JOYOIKCWSA-N 277.299 0.506 0 50 CCAA C[C@H]1CN(S(=O)(=O)c2n[nH]c3ncccc23)CCO1 685943775 UXDUJRCZKZBZLR-QMMMGPOBSA-N 282.325 0.367 0 50 CCAA CNC(=O)[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2)CCO1 221777699 SZXXOEPIWZTZDB-OLZOCXBDSA-N 282.315 0.306 0 50 CCAA Cn1cc(CCN2CC[C@@H](c3cc(O)nc(=N)[nH]3)C2)cn1 630380133 FELVTQIIGDQLEH-LLVKDONJSA-N 288.355 0.360 0 50 CCAA O=C(COC[C@@H]1CCCO1)NC1(C(F)F)OCCO1 585126014 LEIDUMLZRHSFII-QMMMGPOBSA-N 281.255 0.264 0 50 CCAA CN1CC[C@H](NC(=O)c2cccc3c2OCO3)CC1=O 190101981 FNOHTXWAIXPHDG-VIFPVBQESA-N 276.292 0.766 0 50 CCAA Cc1c([C@H]2CNC[C@@H]2C(=O)Nc2cn[nH]c2)cnn1C 643643236 XWFUXSJNXWPPCE-NEPJUHHUSA-N 274.328 0.393 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1CC1=CCCOC1 643765172 NSJZEHODVVHPOB-CQSZACIVSA-N 268.357 0.560 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)c1ccc2ncccc2c1 212730023 XCSMZYNYQCYSLK-UONOGXRCSA-N 271.320 0.951 0 50 CCAA CNC(=O)c1ccc(N2C[C@@H](C)[C@](C)(CN)C2)nc1 1615631343 QVDWYJMYHDDVEK-QMTHXVAHSA-N 262.357 0.862 0 50 CCAA COc1ccc(CCNS(=O)(=O)N(C)C)cc1 456157 VIXAPHHJKRSYGY-UHFFFAOYSA-N 258.343 0.634 0 50 CCAA Cc1cc(=O)c(C(=O)NCCc2nnc(N)s2)c[nH]1 1506420291 BBRWSPXGZWXQNY-UHFFFAOYSA-N 279.325 0.090 0 50 CCAA CN(C)C1=NC2(CCN(c3ccncc3F)CC2)C(=O)N1 1506341805 ZYUKXFHNJNGNMR-UHFFFAOYSA-N 291.330 0.607 0 50 CCAA NC(=O)CCCn1cc(NC(=O)[C@@H]2CCOC2)cn1 1857723497 ISXIYKZUOPETKX-SECBINFHSA-N 266.301 0.124 0 50 CCAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)c2cncc(F)c2)C1 229310924 FKOPLBWSAGAWTA-CABZTGNLSA-N 287.360 0.839 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1c(C)noc1C 643823195 MEVAYLTUKSWMNS-CYBMUJFWSA-N 267.329 0.758 0 50 CCAA CC(=O)N[C@H]1CCN(C(=O)c2ccc(C(=O)O)nc2)C1 228324896 VJDPOZLOPSBIHO-JTQLQIEISA-N 277.280 0.130 0 50 CCAA COC(C)(C)C(=O)N1C[C@H](O)[C@H](Cc2cc(C)no2)C1 1704347877 HNUPHPIVXLBGNC-PWSUYJOCSA-N 282.340 0.770 0 50 CCAA CN1C[C@H](CN2CCC(c3nc(N)n[nH]3)CC2)CCC1=O 1775978478 OFPUNOBPQWQOGM-SNVBAGLBSA-N 292.387 0.435 0 50 CCAA COc1ccc([C@H](C(N)=O)N2CCOCC2)cc1 19865264 UWDSSTLGCJFDOH-GFCCVEGCSA-N 250.298 0.554 0 50 CCAA N=C(N)SCCON1C(=O)c2ccccc2C1=O 1668139 LXILGPUQMIYFQI-UHFFFAOYSA-N 265.294 0.841 0 50 CCAA in-vitro CN1CCOc2cc(C(=O)N3C[C@@H](N)C[C@@H](O)C3)ccc21 1857675556 DAOSSFNACXJOIF-NWDGAFQWSA-N 291.351 0.049 0 50 CCAA CCN1N=C(C)Cn2c1nc1c2c(=O)n(CC)c(=O)n1C 5148163 SOBFDJBHRVNKNC-UHFFFAOYSA-N 290.327 0.132 0 50 CCAA COc1ccccc1S(=O)(=O)N[C@H]1C(=O)NCC1(C)C 660016229 YPFVSPKSVNVJBL-NSHDSACASA-N 298.364 0.498 0 50 CCAA Cn1cc(N2CC[C@H](N3CCn4ccnc43)C2=O)cn1 931525066 BUYBNWRZGYVIJE-NSHDSACASA-N 272.312 0.242 0 50 CCAA CC(C)c1nsc(CN2CCC(=O)NCC23COC3)n1 931696090 GBMDDZCUPPJNDP-UHFFFAOYSA-N 296.396 0.752 0 50 CCAA C[C@H]1CN(S(=O)(=O)CC2CC3(CCC3)C2)CC(=O)N1 872495855 PHWJBALRGQKKGT-JTQLQIEISA-N 286.397 0.717 0 50 CCAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)C2(C)COC2)n[nH]1 952888862 OXQGHBPBAFXUQD-GHMZBOCLSA-N 294.355 0.481 0 50 CCAA NS(=O)(=O)C1(C(=O)NOc2ccccc2F)CCC1 1875284260 UAISMJHTBTXOED-UHFFFAOYSA-N 288.300 0.447 0 50 CCAA COc1nc(C)cc(=NC(=O)[C@@]2(C)CCCS2(=O)=O)[nH]1 1875272514 WUYGBGDLFFYMEG-GFCCVEGCSA-N 299.352 0.121 0 50 CCAA C=CC(=O)N(C)CC(=O)NCCc1ccn(C(C)C)n1 1875366221 PVYWPHHEGAFFQJ-UHFFFAOYSA-N 278.356 0.767 0 50 CCAA CNC(=O)C1CN(C[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 886074684 NXVUZMINCPCUOR-MFKMUULPSA-N 278.356 0.176 0 50 CCAA CN(Cc1nnc[nH]1)S(=O)(=O)CC1CCCC1 253416229 DPVDYQZYZYAYTP-UHFFFAOYSA-N 258.347 0.757 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)C1CCSCC1 263242027 CKXGTGKTTPQEJB-SNVBAGLBSA-N 273.354 0.832 0 50 CCAA O=C1CNC(=O)N1CCN1CCC[C@@H]1c1ccncc1 162738844 YWFQWEUSTPOKDT-GFCCVEGCSA-N 274.324 0.770 0 50 CCAA Cc1c(C(=O)N2CC[C@]3(C(=O)O)CCC[C@H]23)nnn1C 910392302 SDNMYIJBLSTQFM-TVQRCGJNSA-N 278.312 0.593 0 50 CCAA CCOC(=O)CNC(=O)c1ccc(OC)c(OC)c1 3157911 LCRCQDNFFMNPGM-UHFFFAOYSA-N 267.281 0.997 0 50 CCAA COC(=O)c1cc(OC)cc(C(=O)Nc2ncn(C)n2)c1 2356168155 RMTGHASHRCQHON-UHFFFAOYSA-N 290.279 0.863 0 50 CCAA CCN(CC(=O)NC)S(=O)(=O)c1ccc(F)cc1 4866678 YXCUAIKUSCDNTH-UHFFFAOYSA-N 274.317 0.582 0 50 CCAA CN1CCC[C@@H](CNC(=O)CN2CCCC2=O)C1 108343491 NPBJXXOBHPZNLU-NSHDSACASA-N 253.346 0.067 0 50 CCAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N1CCOCC1 227224179 WLQTXQUTGJVZDU-AGIUHOORSA-N 296.367 0.563 0 50 CCAA CCOC(=O)C(=CNc1ncccn1)C(=O)OCC 100262560 CKTKOLMBPODIBB-UHFFFAOYSA-N 265.269 0.899 0 50 CCAA CC(=O)C(Sc1nc(N(C)C)nc(N(C)C)n1)C(C)=O 100135114 FCJHKCMHXNXXFK-UHFFFAOYSA-N 297.384 0.642 0 50 CCAA CCCn1c(S)nc2c1c(=O)n(C)c(=O)n2C 100726261 UDLLAJOOZVPGKV-UHFFFAOYSA-N 254.315 0.132 0 50 CCAA biogenic O=C1CNC(=O)N1Cc1ccccc1Cn1ccnc1 348019818 LQDCYLLMGNFPPS-UHFFFAOYSA-N 270.292 0.983 0 50 CCAA O=C(O)c1ccc(N2CCN(C(=O)C3CCC3)CC2)nn1 114879410 BUVFYKVQPICPGE-UHFFFAOYSA-N 290.323 0.624 0 50 CCAA CCOC(=O)CCNc1nccc(N2CCC[C@@H](O)C2)n1 65399191 AFGCZAUTCIIXAH-LLVKDONJSA-N 294.355 0.803 0 50 CCAA Cc1nn(C)c(N)c1[C@@]1(O)C(=O)Nc2ccccc21 170625877 PZKVSZXPUFVKKG-CYBMUJFWSA-N 258.281 0.499 0 50 CCAA Cc1nn(CCO)c(C)c1[C@@H]1NCCc2[nH]cnc21 67920631 GPIXBXDRWSFBHV-ZDUSSCGKSA-N 261.329 0.450 0 50 CCAA Cc1nn(C)c(C)c1CN1CCN(C)[C@@H](CCO)C1 32573239 JFNOURWRQXSYJK-ZDUSSCGKSA-N 266.389 0.535 0 50 CCAA COc1ccc(C(=O)NC(=S)NN2CCOCC2)cc1 432048 LQOFCLJUFHLHMH-UHFFFAOYSA-N 295.364 0.547 0 50 CCAA CN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 153092929 IKQHVDKKXWUTKY-RISCZKNCSA-N 290.319 0.749 0 50 CCAA O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1C[C@H]1C(=O)O 262591686 HVLCCFZSSUZAJE-NWDGAFQWSA-N 286.291 0.604 0 50 CCAA Cc1noc(C2CCN(C(=O)[C@H]3C[C@@H]3C(=O)O)CC2)n1 262659293 UBYMNEGJQHVWHR-UWVGGRQHSA-N 279.296 0.805 0 50 CCAA CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1 77285192 SFWGMWJVADWMQA-UHFFFAOYSA-N 279.388 0.457 0 50 CCAA C[C@@H](C(=O)O)C(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1 263561083 RNRHTOSRLDSXBU-SECBINFHSA-N 292.339 0.656 0 50 CCAA O=C(NCCc1ccc(F)cc1)[C@@H]1CNCCO1 43707481 DKXMPFCPCKSSKR-LBPRGKRZSA-N 252.289 0.473 0 50 CCAA Cc1ccc2nc(C)c(C(=O)NCc3nc(N)n[nH]3)n2c1 426547638 PEILPELZQLUCCH-UHFFFAOYSA-N 285.311 0.581 0 50 CCAA COCCc1noc(CNC(=O)c2cc(OC)ccn2)n1 426490699 YMQXIJZKGCLWTR-UHFFFAOYSA-N 292.295 0.592 0 50 CCAA Cc1cc(C)n2nc(CC(=O)NCc3ncc[nH]3)nc2n1 426653004 SAKQALAJWKVJKD-UHFFFAOYSA-N 285.311 0.323 0 50 CCAA O=c1c2cc(Br)ccc2nnn1CO 334160324 AZNPFVHNGFYAHJ-UHFFFAOYSA-N 256.059 0.504 0 50 CCAA COCC1(CNC(=O)CN2CCCCC2=O)CCC1 331819560 BHPORTXBGMNIPK-UHFFFAOYSA-N 268.357 0.932 0 50 CCAA Cn1nccc1CCC(=O)NC[C@@H]1CCCNC1 97570849 NJZTVQNOWYRZQK-LLVKDONJSA-N 250.346 0.469 0 50 CCAA O=C(CCO)N1CCN(Cc2ccccc2)C[C@H](O)C1 96141159 QWSSKCCAAYRIPF-AWEZNQCLSA-N 278.352 0.074 0 50 CCAA CC(C)N1CCC[C@H](C(=O)NCCCn2cnnc2)C1 95497214 MBMIRPJTUCHUJB-ZDUSSCGKSA-N 279.388 0.905 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(Cc3ncc[nH]3)C[C@H]2C)CC1 299754042 QMLLFNKYOWHQSG-TZMCWYRMSA-N 291.399 0.394 0 50 CCAA CC(C)n1ccc(C(=O)N[C@@H](C)Cn2cncn2)n1 264971148 GYBKYHYYBHNOJJ-JTQLQIEISA-N 262.317 0.874 0 50 CCAA CN(Cc1n[nH]c2c1CCCC2)C(=O)C[C@H]1CNCCO1 534649994 BPGJFZIYDUXRCS-NSHDSACASA-N 292.383 0.625 0 50 CCAA Cc1cnccc1NCCNC(=O)Nc1cn(C)nn1 299786796 NJTZBPWOKHYUDX-UHFFFAOYSA-N 275.316 0.752 0 50 CCAA Cc1nc([C@H]2CCCN(C(=O)c3cnc(O)[nH]3)C2)no1 584897960 JMVOMVDMWWVWHS-QMMMGPOBSA-N 277.284 0.827 0 50 CCAA Cc1cccnc1CC(=O)N(C)CCN1CCOCC1 584893459 QWFLQIYJRZXAHV-UHFFFAOYSA-N 277.368 0.723 0 50 CCAA CCc1noc(CCNC(=O)CCc2cnn(C)c2)n1 584891774 ADKFWFGBPMEIAU-UHFFFAOYSA-N 277.328 0.657 0 50 CCAA CNC(=O)[C@H]1CCN(C(=O)CN(C)Cc2ccccn2)C1 670456420 PMDPSMQTIYGECL-LBPRGKRZSA-N 290.367 0.108 0 50 CCAA O=C1CC[C@@H](CC(=O)N2CCN(c3nccs3)CC2)N1 1362898847 FWLOZGYBINRFFC-JTQLQIEISA-N 294.380 0.460 0 50 CCAA N[C@H]1CN(C(=O)NCCC2(O)CCC2)CC12CCC2 1553483264 OJYCUNROSSPBGI-NSHDSACASA-N 267.373 0.814 0 50 CCAA CCOC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 64219599 QTFVCKXWOYFEPQ-ZETCQYMHSA-N 260.290 0.318 0 50 CCAA in-vitro CCc1c(C)cc(C(=O)N[C@H]2CCOC[C@@H]2O)c(=O)n1C 1565529233 GORPPYIYKRHDQE-AAEUAGOBSA-N 294.351 0.136 0 50 CCAA Cc1c(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)cnc2cc(O)nn12 1565528310 IGPVAWOBBDCWMS-INTQDDNPSA-N 288.307 0.651 0 50 CCAA CC(C)c1nnc(NC(=O)C2(NC(N)=O)CC2)s1 271116058 QUWBXMIOZVBMNE-UHFFFAOYSA-N 269.330 0.801 0 50 CCAA CNC(=O)C1CN(C(=O)[C@@H](C)Cc2c(C)nn(C)c2C)C1 186129758 KNGHJZLSPHFOMS-VIFPVBQESA-N 292.383 0.420 0 50 CCAA C[C@@H]1CN(C(=O)N=c2cc3ccccn3[nH]2)C[C@H]1CN 632946983 UTPZRAUJGVQXNI-GHMZBOCLSA-N 273.340 0.815 0 50 CCAA CC(C)c1nc(=NC(=O)COC[C@H]2CCCO2)o[nH]1 584906957 GVFYIXVTBRWQQO-SECBINFHSA-N 269.301 0.749 0 50 CCAA NC(=O)[C@]1(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CCOC1 585091107 YERNYZNKZFXIIO-RMIALFOJSA-N 266.341 0.573 0 50 CCAA COC[C@H](CNC(=O)N(CCO)CC(C)(C)C)OC 679708034 MWTCNXLQBZXLFF-NSHDSACASA-N 276.377 0.698 0 50 CCAA CC1(C)NC(=O)N(CCCn2cc(F)ccc2=O)C1=O 190728325 ADAXASJFQAIZQE-UHFFFAOYSA-N 281.287 0.708 0 50 CCAA C[C@H](CNS(=O)(=O)C1CC1)N1CCCCC1=O 194599828 WZGZKZCXBSDTBF-SECBINFHSA-N 260.359 0.469 0 50 CCAA COCCn1ncc(C(=O)N[C@H]2C[C@@H](N)C23CCC3)c1C 1615554116 KFRFEEGEZBBJBE-OLZOCXBDSA-N 292.383 0.838 0 50 CCAA CN(C)[C@H]1CCC[C@@H]1NC(=O)c1cnc(N)s1 1565529361 YVXSPQVPOIDDSD-YUMQZZPRSA-N 254.359 0.938 0 50 CCAA CCNC(=O)NC1CN(c2nccn3nc(C)cc23)C1 1414377509 ZKVIILRCGHXHSO-UHFFFAOYSA-N 274.328 0.545 0 50 CCAA CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 617405 LYYCIMCPGGEDHK-GFCCVEGCSA-N 298.364 0.594 0 50 CCAA C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CCCNC1=O 405643 YVYVUBSLVFANKA-ZYHUDNBSSA-N 262.309 0.849 0 50 CCAA Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@@H](N)C1 237986493 JEAIOAFEFMGUDI-SSDOTTSWSA-N 276.749 0.039 0 50 CCAA Cc1cc(C[C@@H]2CN(CCN3CCCC3=O)C[C@H]2O)on1 1704338663 WPWYMXNARGKLCW-TZMCWYRMSA-N 293.367 0.441 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cnc(O)[nH]3)C[C@H]2O)on1 1704298175 GRIRKUQRXULTNY-LDYMZIIASA-N 292.295 0.087 0 50 CCAA NC1(C(=O)N(CCO)Cc2ncc[nH]2)CCCC1 1704306642 WXNPZMPHLMDYHY-UHFFFAOYSA-N 252.318 0.002 0 50 CCAA CCN(CC)[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 229981475 FYWRJRKSVHBDGY-NSHDSACASA-N 263.341 0.931 0 50 CCAA Cc1ccccc1CS(=O)(=O)NCCN1CCOCC1 16578533 NCSUOIXWZKHRMQ-UHFFFAOYSA-N 298.408 0.747 0 50 CCAA Cc1nonc1C(=O)N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1 1857722466 VWOZSMVDIIIXKD-SRVKXCTJSA-N 292.339 0.360 0 50 CCAA COC(=O)CCCC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 225686588 PUZMCLTYEBZXGO-HATUHQCHSA-N 267.325 0.557 0 50 CCAA CCOCC(=O)N1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C 252481215 CISJZQJWEPXTCU-NOOOWODRSA-N 285.340 0.733 0 50 CCAA CC1(C)CCCN1S(=O)(=O)CCCn1cnnn1 1875289627 FJMMGXODZXDQGB-UHFFFAOYSA-N 273.362 0.267 0 50 CCAA C[C@H](ONC(=O)[C@@H]1CCCNC1=O)c1ccncc1 1875297882 GZAHOWBIRAXPCL-GXSJLCMTSA-N 263.297 0.717 0 50 CCAA Cc1nsc(C)c1C(=O)N1CCC[C@](O)(C(=O)O)C1 1875292092 WFGSRAVJGIXJNM-GFCCVEGCSA-N 284.337 0.812 0 50 CCAA CC1(C)NC(=O)O[C@]12CCN(C(=O)[C@H]1CCO1)C2 1875302088 ZLFJVKNYRMBBFN-PELKAZGASA-N 254.286 0.265 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1875375681 JRYFJCHSHZDJKP-UFFNRZRYSA-N 265.357 0.231 0 50 CCAA CCn1cc(CC(=O)N[C@]23CCC[C@H]2CNC3)nn1 1775961336 SYDUEOKXBBKQMY-GWCFXTLKSA-N 263.345 0.099 0 50 CCAA CN1CCn2nc(NC(=O)N3C[C@@H]4CC[C@]4(N)C3)cc2C1 1775961253 JZDDYOZMKXCFFK-HZMBPMFUSA-N 290.371 0.284 0 50 CCAA O=C([C@H]1CNCCO1)N1CCN(Cc2cccs2)CC1 43709828 KHEKSQFQJIMURK-CYBMUJFWSA-N 295.408 0.381 0 50 CCAA COCCN1CCC[C@H](NC(=O)c2cccnc2)C1 408512852 HRWYPTNNIHBILS-ZDUSSCGKSA-N 263.341 0.922 0 50 CCAA CC(C)c1nnsc1C(=O)N[C@H]1COCC[C@@H]1O 710876912 BOKAXELIMGHUNT-YUMQZZPRSA-N 271.342 0.541 0 50 CCAA C[C@@H]1[C@@H](C(=O)NC2(C(=O)O)CCOCC2)C1(F)F 1605034340 MJNANAQBDHPYNO-RQJHMYQMSA-N 263.240 0.638 0 50 CCAA Cc1cc(N(C)C[C@@H](C)C(=O)O)n2nc(C)nc2n1 886909597 CHBNMXAMENYWQG-SSDOTTSWSA-N 263.301 0.898 0 50 CCAA Cc1cc(C)n(CC(=O)N2CCC[C@]23CCCNC3=O)n1 2356149596 KYWXFDPBTDCYLU-HNNXBMFYSA-N 290.367 0.771 0 50 CCAA C[C@@H]1C(=O)N(C2CC2)Cc2nnc(-c3cnccn3)n21 2356157072 DDOVKJTUMKTCBN-MRVPVSSYSA-N 270.296 0.801 0 50 CCAA CC(=O)NCC(=O)N1CCN(Cc2cccc(C)c2)CC1 55393418 LMRWZOVYKREZQH-UHFFFAOYSA-N 289.379 0.775 0 50 CCAA CCOc1ccccc1N1CCN(CC(N)=O)CC1 55060374 MMNQCQSGQHXQMO-UHFFFAOYSA-N 263.341 0.693 0 50 CCAA C[C@H]1CCCN(C(=O)CCN2CCS(=O)(=O)CC2)C1 65394097 LOCUYMKQPFRHAL-LBPRGKRZSA-N 288.413 0.365 0 50 CCAA Nc1nc(-c2cncnc2)cc(N2CCOCC2)n1 215140334 FVANSBYWUBWMNH-UHFFFAOYSA-N 258.285 0.352 0 50 CCAA CC(C)(C)c1cc(CN2CCS(=O)(=O)CC2)[nH]n1 215230727 FHUZIOCGRYRRLN-UHFFFAOYSA-N 271.386 0.938 0 50 CCAA Cc1n[nH]c(C)c1CCC(=O)N1CCOC[C@H]1CC(=O)O 72411241 JYYFOBWIZYYNOO-LLVKDONJSA-N 295.339 0.661 0 50 CCAA COC[C@@H]1CCCCN(C(=O)C2=NN(C)C(=O)CC2)C1 364128655 QPWYSMXHFZAOGL-LLVKDONJSA-N 281.356 0.870 0 50 CCAA Nc1nc(N2CC(c3ccccn3)C2)c2cn[nH]c2n1 72147904 TVAQEBUKAMQJHT-UHFFFAOYSA-N 267.296 0.934 0 50 CCAA Cc1n[nH]cc1CNC(=O)[C@@]1(C)CCCNC1=O 336104667 ZJQVFUVBTSOVFH-LBPRGKRZSA-N 250.302 0.251 0 50 CCAA O[C@@H](Cn1nnc(-c2cccnc2)n1)C(F)(F)F 158178036 QKDNBNONUJJLDM-ZETCQYMHSA-N 259.191 0.658 0 50 CCAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(c2ncccn2)C1 284665823 YGQISDXXNCUCTD-ZJUUUORDSA-N 260.301 0.870 0 50 CCAA O=C(NCc1nncn1C1CC1)[C@@H]1Cc2ccccc2CN1 238049206 ZCNYIFRDUIMXNQ-AWEZNQCLSA-N 297.362 0.944 0 50 CCAA C[C@H]1CCCN(C(=O)c2nccnc2N)[C@H]1C(=O)O 263054577 LOSOHFXOADCMQD-IONNQARKSA-N 264.285 0.384 0 50 CCAA NCCOc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3O)c1 426534102 SSIQEVIRWOLADD-NHAGDIPZSA-N 290.363 0.867 0 50 CCAA Cc1cccc2nc(CCNC(=O)N3CC(O)C3)[nH]c12 426444883 HRYRFXRKSMAJLI-UHFFFAOYSA-N 274.324 0.800 0 50 CCAA O=C(O)[C@@H](NC(=O)C1(Cn2cccn2)CC1)C1CC1 426549849 AVDHLZPEHOACRN-JTQLQIEISA-N 263.297 0.643 0 50 CCAA CCCN(Cc1nccn1C)C(=O)[C@@H]1CCS(=O)(=O)C1 426722684 SSECVKTVUYCFIZ-LLVKDONJSA-N 299.396 0.593 0 50 CCAA Cc1[nH]nc(CN2CC[C@H](N(C)C)[C@@H](O)C2)c1Cl 97681727 DNOKDZOJSOBGRR-QWRGUYRKSA-N 272.780 0.868 0 50 CCAA CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN1C(N)=O 344504166 XTLHQENKKZHVSW-ZETCQYMHSA-N 267.251 0.940 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3[C@@H]4[C@@H]3[C@@H]2[C@@H]2[C@@H]4[C@@H]12 247848327 FOVABRXCXSLHGN-WAYOCEBLSA-N 279.299 0.648 0 50 CCAA Cc1ccc(C(=O)N[C@]2(CCO)CCOC2)nc1C 298618011 OVXKKXNUNGGJKI-CQSZACIVSA-N 264.325 0.970 0 50 CCAA Cn1nccc1CCNC(=O)CCCN1CCCCC1=O 252490593 KXMGLTYIJATHMA-UHFFFAOYSA-N 292.383 0.872 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccn(CC)c(=O)c1 534637692 IUXHWWYPPOGBAM-RYUDHWBXSA-N 280.324 0.402 0 50 CCAA CC(C)n1ccc(C(=O)N[C@H](C)Cn2cncn2)n1 264971150 GYBKYHYYBHNOJJ-SNVBAGLBSA-N 262.317 0.874 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 261361183 YCYQIUUXRYFEQD-NAKRPEOUSA-N 257.330 0.985 0 50 CCAA C[C@H]1CN(CCCNC(=O)c2ccnn2C)C[C@@H](C)O1 299326631 DMMUJQQGCWDZOI-TXEJJXNPSA-N 280.372 0.649 0 50 CCAA O=C1N[C@@H](C2CC2)C(=O)N[C@H]1Cc1ccc(O)cc1 828321140 WVGWDCAKFXWVDE-RYUDHWBXSA-N 260.293 0.328 0 50 CCAA CN(CCS(C)(=O)=O)C[C@H]1CCN(C)C1(C)C 823689965 IUPVHLNKSIILRQ-LLVKDONJSA-N 262.419 0.693 0 50 CCAA CC(C)c1nccc(CN2CCO[C@H](C(=O)N(C)C)C2)n1 827789719 HQKDUXTXSGRHPW-ZDUSSCGKSA-N 292.383 0.889 0 50 CCAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CN(C)C1CCNCC1)C2 584904095 FCNCOKDKLBKBKG-VIKVFOODSA-N 295.427 0.554 0 50 CCAA CC[C@H](NC(=O)CCn1cncn1)c1ncc(C)[nH]1 670468734 NOAFWZQXAJMHKK-JTQLQIEISA-N 262.317 0.967 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)CN1CCCC1 584895588 KOIILYSGAKIOBD-NSHDSACASA-N 281.360 0.198 0 50 CCAA CCc1cc(NC(=O)[C@@H]2CN(C)CCO2)nn1C 1336002087 UVJCKGOVTRHTRY-JTQLQIEISA-N 252.318 0.252 0 50 CCAA COCc1nocc1C(=O)N[C@@H]1C[C@@H](N)C12CCC2 1343201744 PTWOKHIKIIOPTA-GHMZBOCLSA-N 265.313 0.821 0 50 CCAA Cc1cccn2c(CC(=O)N[C@H]3COCC[C@@H]3O)cnc12 1565529255 HXSJPBKNVVFBTD-STQMWFEESA-N 289.335 0.451 0 50 CCAA Nc1nnc(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)s1 1565514112 ASJIOMNSXNQDMY-RQJHMYQMSA-N 284.341 0.280 0 50 CCAA CC[C@@H](NC(=O)[C@H]1CCCCC(=O)N1)C(OC)OC 408523668 UNZGXHWNBCMFON-NXEZZACHSA-N 272.345 0.559 0 50 CCAA Cn1nccc1C1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 188753854 VGRWVYLVECGLMC-NWDGAFQWSA-N 280.347 0.826 0 50 CCAA C[C@@H](CN1CCCC1=O)NC(=O)c1cn(C(C)(C)C)nn1 189114765 FDAHYZXGLJAKBN-JTQLQIEISA-N 293.371 0.774 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(CCc2ccnn2C)C1 643812531 OPJULFKWEOMMMV-HNNXBMFYSA-N 294.399 0.268 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cnc(C)cn1 643954204 ONVXKJIWCUEKHF-AWEZNQCLSA-N 292.339 0.152 0 50 CCAA CCOC(=O)c1nc(=N[C@H](C)/C=C/C(=O)OC)cc[nH]1 1615585633 JWWQMYXSGJEEKX-VUHVRTRXSA-N 279.296 0.605 0 50 CCAA O=C1CCCN1CCN1CCN(CC2CC2)[C@@H](CCO)C1 1506400272 CNKDTOFIFCVCCV-HNNXBMFYSA-N 295.427 0.387 0 50 CCAA CN(C)c1cccc(C(=O)N2CC3(CNC(=O)N3)C2)c1 1857706946 CVSOLMJECOTLBE-UHFFFAOYSA-N 274.324 0.260 0 50 CCAA COc1ccccc1[C@H]1CN(CC(N)=O)C[C@@H]1C(=O)O 212950417 ZWSFCCCVBWKDCT-MNOVXSKESA-N 278.308 0.281 0 50 CCAA COc1ccc(CCNC(=O)[C@H]2CNC(=O)C2)cc1 110342061 AIYFUPXHULBKFV-LLVKDONJSA-N 262.309 0.490 0 50 CCAA CCS(=O)(=O)N1CCC(C(=O)NCCCOC)CC1 2499838 WMRBAURUMGVKJH-UHFFFAOYSA-N 292.401 0.201 0 50 CCAA CO[C@H]1COC[C@@H]1Nc1ncc(F)c(N2CCOCC2)n1 1529094548 HLLGDUNVAPPPFA-QWRGUYRKSA-N 298.318 0.278 0 50 CCAA NC(=O)C1(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CC1 1704298876 KLVZKMHLZQIEQE-NEPJUHHUSA-N 289.335 0.021 0 50 CCAA CNc1ncccc1C(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1704353299 MIAASLZIFJGZDH-NEPJUHHUSA-N 290.367 0.526 0 50 CCAA CN1CCC2(CC1)CN(c1ncccc1C(N)=O)CCO2 1775983256 URFDOGUMMDZSOB-UHFFFAOYSA-N 290.367 0.482 0 50 CCAA COc1ccc(CN2C[C@@H](CN)OCC2=O)cc1 11884451 TWFMJAGCCNVNMA-GFCCVEGCSA-N 250.298 0.381 0 50 CCAA CN(Cc1nccs1)C[C@]1(O)CCCN(C)C1=O 14957683 AZHKATKTYITDAG-GFCCVEGCSA-N 269.370 0.558 0 50 CCAA COc1ccc(C)nc1N1CCN2CCOC[C@H]2C1 1857678654 JIDONQSNBIWHCA-GFCCVEGCSA-N 263.341 0.919 0 50 CCAA OCC1(Cn2ccnc2[C@H]2[C@H]3CNC[C@H]32)CCOCC1 1857729393 YSOQRTNUNRAYOK-CLLJXQQHSA-N 277.368 0.605 0 50 CCAA NC(=O)[C@@H]1CCCCN1C(=O)Cn1ccc(C(F)F)n1 527889372 CVQYHPCMVBEWSB-VIFPVBQESA-N 286.282 0.687 0 50 CCAA CN(CCNC(=O)[C@H]1C[C@@H](O)CN1)Cc1ccc(F)cc1 237146371 YMVRSBYKSBQAMG-ZIAGYGMSSA-N 295.358 0.097 0 50 CCAA CC1=C(C(N)=O)[C@H](c2cccnc2)N2N=CNC2=N1 71269 DGTNECAYQHOIFZ-JTQLQIEISA-N 256.269 0.100 0 50 CCAA COCCN1CN(C(=O)[C@@H]2CCCO[C@@H]2C(C)C)CC1=O 408473321 LNMNOAYOUAJYCF-TZMCWYRMSA-N 298.383 0.712 0 50 CCAA CN1CC[C@H](C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)CC1=O 249648040 YASLZDGAFKILTG-LRYQHZMXSA-N 278.352 0.083 0 50 CCAA Cc1cccc(F)c1C(=O)N1CCN(C)[C@@H](CO)C1 1262186353 XSOZTXIOODKKBA-LLVKDONJSA-N 266.316 0.883 0 50 CCAA NS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 1857780454 HSJPFKAFARFXJQ-UHFFFAOYSA-N 258.324 0.768 0 50 CCAA CCc1cc(NCCn2ccc(O)nc2=O)ncn1 952882705 OLGUGHUVKINGFY-UHFFFAOYSA-N 261.285 0.413 0 50 CCAA C[C@H](ONC(=O)[C@H]1CC(=O)CO1)c1ccncc1 1875298144 PLNSIPWFQWHLLY-GZMMTYOYSA-N 250.254 0.548 0 50 CCAA COc1cc(C(=O)N2CCC[C@@H]3C[C@@]32C(N)=O)sn1 1875369854 MHMUXZDTZCJZJP-KRTXAFLBSA-N 281.337 0.632 0 50 CCAA O=C(COCC1CC1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875403656 XMAXPZUQCZSLSP-MGPQQGTHSA-N 293.367 0.565 0 50 CCAA Oc1c(I)cnc2ncnn12 1772715628 ZONBFFVQPMTFKA-UHFFFAOYSA-N 262.010 0.435 0 50 CCAA Cc1ncn(C)c1C(=O)NC1(C(=O)O)CCCC1 299797623 OHNCOXRDHKGECC-UHFFFAOYSA-N 251.286 0.856 0 50 CCAA COC1(C(=O)N2C[C@@H](CO)c3ccccc32)CC(N)C1 2325801836 XZTWLRQWROSPTI-NLTNOIMHSA-N 276.336 0.615 0 50 CCAA Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C 41089 WNPLNMLXXIVNSU-UHFFFAOYSA-N 277.328 0.341 0 50 CCAA c1cc2nnnn2nc1NCCCO[C@@H]1CCCCO1 225534944 YGQAYRKFHSCSRN-GFCCVEGCSA-N 278.316 0.865 0 50 CCAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@@H](N)C1 227456700 WDMNDMRHRHHEJI-FDYHWXHSSA-N 251.374 0.809 0 50 CCAA CC(C)c1noc(CNC(=O)Nc2ncn[nH]2)n1 23214759 AJCVPPSMAVPDNS-UHFFFAOYSA-N 251.250 0.633 0 50 CCAA O=C(NOCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 135212807 FYBDSZVPSPDWNB-RXMQYKEDSA-N 261.221 0.031 0 50 CCAA COC[C@@H](C)C(=O)N1CCO[C@@H](CN(C)CC2CC2)C1 328628212 GZKDBZNRZGXHIM-OCCSQVGLSA-N 284.400 0.838 0 50 CCAA CCCCO[C@H](C)C(=O)N1CCc2c(ncn(C)c2=O)C1 328640551 XLEFQFTYJBKEAU-LLVKDONJSA-N 293.367 0.870 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(Cc3ccno3)C[C@H]2C)CC1 299754242 JSMGUDKQBRPVMS-IUODEOHRSA-N 292.383 0.659 0 50 CCAA COc1ccncc1CNC(=O)N1C[C@H]2CC[C@H]1CN2 333322145 USBFHIXHSOYHDZ-NEPJUHHUSA-N 276.340 0.736 0 50 CCAA O=C([C@H]1CNCCO1)N1CCNC[C@H]1c1ccccc1 333480095 BIHNABZBCBFJHB-UONOGXRCSA-N 275.352 0.148 0 50 CCAA O=C(Cn1cn[nH]c1=O)NCC1(c2cccc(F)c2)CC1 157993172 WQHHKZSLVIFHPF-UHFFFAOYSA-N 290.298 0.559 0 50 CCAA O=C(c1ccnnc1)N1CCCO[C@H](Cn2cccn2)C1 221270268 WWUJEVSVDYNGOR-ZDUSSCGKSA-N 287.323 0.604 0 50 CCAA CCc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)N(C)C2)[nH]1 426381835 XWUHBFDQNSDJKN-ONGXEEELSA-N 265.313 0.464 0 50 CCAA O=C(NCCOCCO)c1ccc([C@@H]2CCCNC2)cc1 95371586 DEOZZCBNWXDFED-OAHLLOKOSA-N 292.379 0.892 0 50 CCAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCc2[nH]cnc2C1 96166615 HSDSLTIQFBTMCX-GFCCVEGCSA-N 292.339 0.915 0 50 CCAA O=C(NCc1cc(=O)[nH]cn1)[C@H]1COc2ccccc2C1 95502222 SLMRUAJZERFTSX-LLVKDONJSA-N 285.303 0.637 0 50 CCAA C[C@@H]1CN(C(=O)CCc2nc3cccnc3[nH]2)CCN1 237573781 FPLBSOZXIOBFCB-SNVBAGLBSA-N 273.340 0.711 0 50 CCAA CC(C)COc1cncc(N2CC(=O)N[C@H](C)C2)n1 295804245 SRKIFRURTASTEU-SNVBAGLBSA-N 264.329 0.836 0 50 CCAA Cn1nnc(CN2CCC=C(c3cccnc3)C2)n1 296020269 RDYLNBQAFBRTKB-UHFFFAOYSA-N 256.313 0.894 0 50 CCAA CN(CC(=O)N1CC[C@@](C)(O)[C@@H](O)C1)c1ccccc1 96138647 XDVWXRZUOJYNOE-DZGCQCFKSA-N 278.352 0.467 0 50 CCAA CCc1c(C)nn(CCNC(=O)[C@H](C)NC)c1C 244619933 FISZHUQWFWKSAO-JTQLQIEISA-N 252.362 0.786 0 50 CCAA CC(=O)N[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)C 251674489 LWKZTOMARNTHMM-FOGDFJRCSA-N 256.346 0.783 0 50 CCAA COC(=O)c1cn(-c2ccncc2)cc2c(=O)[nH]nc1-2 253403404 HDMWNMJEIQFGDP-UHFFFAOYSA-N 270.248 0.847 0 50 CCAA COCCc1noc(CNC(=O)CCc2cnn(C)c2)n1 534668513 OXIOAIIDDVZGDK-UHFFFAOYSA-N 293.327 0.241 0 50 CCAA CC(=O)NC(C)(C)C[C@H](C)NCCn1ccnn1 534577390 MJCTWIYOSFGFAZ-JTQLQIEISA-N 253.350 0.561 0 50 CCAA Cn1c(=O)c2c(Cl)cccc2n(CC(=O)O)c1=O 725261598 DJUIWGVRLNRYIZ-UHFFFAOYSA-N 268.656 0.438 0 50 CCAA COCC1(CNC(=O)[C@H](C)NC(=O)OC)CCC1 495711409 KKIXFGFLAJITIJ-VIFPVBQESA-N 258.318 0.664 0 50 CCAA OC[C@]1(O)CCN(C2CCN(C3CCCC3)CC2)C1 828697653 PYUZGVKCXCXJOY-HNNXBMFYSA-N 268.401 0.823 0 50 CCAA CO[C@H]1CN(S(=O)(=O)c2cc(C)ccc2F)C[C@@H]1O 824504850 OMIRFJXPEDZLRI-QWRGUYRKSA-N 289.328 0.514 0 50 CCAA CCCc1cncnc1NC[C@@H]1CN(C)CCO1 584892003 YWVMSQJMSPLHOK-GFCCVEGCSA-N 250.346 1.172 0 50 CCAA Cc1cc(C)n(CCN(C)CC(=O)NC[C@H]2CCCO2)n1 670448632 NFBFOZFYRMAFMC-CQSZACIVSA-N 294.399 0.727 0 50 CCAA Cc1nonc1CN1CCC2(CC1)CNC(=O)O2 670454129 AVZMHVGIOVSWBI-UHFFFAOYSA-N 252.274 0.452 0 50 CCAA Cc1nc(CNC(=O)CCCn2cnnn2)cs1 670446950 NGJHFCOYXUITBU-UHFFFAOYSA-N 266.330 0.535 0 50 CCAA CO[C@H]1CCN(S(=O)(=O)c2cccc3nn(C)nc23)C1 670473089 INHFEMYIMDILBT-VIFPVBQESA-N 296.352 0.378 0 50 CCAA Cc1ccc(CC(=O)N2CC(=O)N(CC3CC3)C2)cn1 279424568 KMJSVBRVEAQWRP-UHFFFAOYSA-N 273.336 0.971 0 50 CCAA CCN1CC(=O)N(C[C@@H](n2cncn2)C(F)(F)F)C1=O 630990360 DMXXYWLQTPJBTD-SSDOTTSWSA-N 291.233 0.666 0 50 CCAA CCc1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)n[nH]1 583622951 LQNQDOIBPHQTHI-ZWNOBZJWSA-N 289.339 1.422 0 50 CCAA O=C(Cc1ccon1)N1CCNC[C@@H]1c1ccncc1 565306503 AZZMUJPTIKRMGW-CYBMUJFWSA-N 272.308 0.785 0 50 CCAA C[C@H]1CN(CCNC(=O)c2cccc(C(=O)O)c2)CCO1 567987408 BLOLSMTVHKVKRM-NSHDSACASA-N 292.335 0.835 0 50 CCAA Cc1ncc(CNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)c(=N)[nH]1 571842181 QALDBCNAQMGDPL-GYSYKLTISA-N 276.340 0.771 0 50 CCAA CC(C)[C@H]1CCCN(C(=O)C(=O)N(C)CCCN)C1 662935768 ZFFMXSWIEBSZIM-LBPRGKRZSA-N 269.389 0.688 0 50 CCAA COc1cccc(CN2CCC[C@](O)(c3cnn[nH]3)C2)n1 794008019 ANYBDUUUVDXDRJ-CQSZACIVSA-N 289.339 0.692 0 50 CCAA O=C(c1ccncc1F)N1CCC([C@H](O)CO)CC1 1772706748 VGJRNNRSWSKZIO-GFCCVEGCSA-N 268.288 0.426 0 50 CCAA COC[C@H](c1ccccn1)N(C)CCS(C)(=O)=O 1506418164 QTPITMFBLSIMTP-GFCCVEGCSA-N 272.370 0.746 0 50 CCAA Cc1nc2nc(SCC(=O)O)nc(O)c2nc1C 1857533199 GGAUAKFODATQHU-UHFFFAOYSA-N 266.282 0.919 0 50 CCAA O=C(Cc1cccc(O)c1)N1CC(N2CCOCC2)C1 222312973 ASNGYNPMNVTMAI-UHFFFAOYSA-N 276.336 0.478 0 50 CCAA CCc1nnc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)s1 225705244 JIMSLFNYBGDRMJ-YGBUUZGLSA-N 295.320 0.693 0 50 CCAA O=C(CCn1cc(Cl)cn1)N(CCO)Cc1ncc[nH]1 1772711327 HKLMRJMMLPOAOD-UHFFFAOYSA-N 297.746 0.671 0 50 CCAA CS(=O)(=O)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 15073705 UDZNDZUOLPXJQV-NSHDSACASA-N 286.328 0.476 0 50 CCAA CCCN1C[C@@H](NC(=O)Cc2c(C)noc2C)CC1=O 19148459 BYFUTHXHHWLEBN-NSHDSACASA-N 279.340 0.961 0 50 CCAA CCOC(=O)N1CCC(N2CCN(C(C)=O)CC2)CC1 19636383 TVQCGRMMRKYOFC-UHFFFAOYSA-N 283.372 0.771 0 50 CCAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cccc(O)n1)C2 1857674344 DSELTGLFNWQJNI-CQSZACIVSA-N 291.307 0.844 0 50 CCAA Cc1nc2nccc(N3CCNC(=O)C[C@@H]3C)n2n1 1875275422 QQLZUUORNRQPSI-QMMMGPOBSA-N 260.301 0.148 0 50 CCAA O=C(O)[C@]1(O)CCCN(C(=O)[C@]2(C(=O)O)CC=CCC2)C1 1875358200 MYZUOVXISWCQRX-KBPBESRZSA-N 297.307 0.236 0 50 CCAA O=C(NS(=O)(=O)[C@@H]1CCOC1)[C@@H]1[C@H]2CC(F)(F)C[C@H]21 1875303551 DCGWOGIQDJXLHU-HXFLIBJXSA-N 295.307 0.513 0 50 CCAA CCN1CCO[C@@H](c2nc(-c3ccc(OC)nn3)no2)C1 896395676 SGHUEZSZOXZCMY-SNVBAGLBSA-N 291.311 0.928 0 50 CCAA Cc1nc(C)c(S(=O)(=O)NCC(=O)O)s1 261536053 QFEZDKUOVWPEQF-UHFFFAOYSA-N 250.301 0.123 0 50 CCAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@H]1CCNC1 269146961 HHHHQRPAEAFQPP-NSHDSACASA-N 296.392 0.832 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)CCOC(C)C 717711508 SMZYGHDHRYSPQS-CYBMUJFWSA-N 273.329 0.894 0 50 CCAA O=C(CCCc1nc(=O)o[nH]1)NC[C@@H]1COC2CC1C2 2325850363 VVJZOKOQOYTXOV-HWOCKDDLSA-N 281.312 0.227 0 50 CCAA CCOC(=O)[C@]12CC[C@](C(=O)OCC)(CC1=O)C(=O)C2 162325 ZRMZQKZRZQCGJV-KBPBESRZSA-N 282.292 0.811 0 50 CCAA Cc1ccc(C)c(OC[C@H](O)CN(CCO)CCO)c1 2686810 AMPMFELOCGSYIL-CQSZACIVSA-N 283.368 0.330 0 50 CCAA Cc1cc(C)cc(N([C@@H](C)C(N)=O)S(C)(=O)=O)c1 2872373 RZUGUKHZVKHEGW-JTQLQIEISA-N 270.354 0.943 0 50 CCAA C[C@H](NC(=O)C(=O)NC[C@@H](C)O)c1ccccc1 2993723 WZGQTPFRKYIKJX-ZJUUUORDSA-N 250.298 0.361 0 50 CCAA Cn1nnnc1[C@H]1CN(Cc2nc(C3CC3)no2)CCO1 2356168896 GTYYSRGSIRRSAE-SECBINFHSA-N 291.315 0.044 0 50 CCAA CCc1ccccc1NC(=O)C[C@@H]1NCCNC1=O 4537528 RMQFTRVOJLPICI-LBPRGKRZSA-N 261.325 0.666 0 50 CCAA CC(=O)CCCCn1c(C)nc2c1c(=O)n(C)c(=O)n2C 6447363 JDYAVPYQTSLHRH-UHFFFAOYSA-N 292.339 0.501 0 50 CCAA Cn1nnc(CNC(=O)[C@@H]2CSc3ccccc3O2)n1 225613200 HAPFUKHTYXWXKJ-VIFPVBQESA-N 291.336 0.380 0 50 CCAA Cc1cnn(CC(=O)Nc2cnccc2-n2ccnn2)c1 345540729 KFOFTMLWZYCFQE-UHFFFAOYSA-N 283.295 0.806 0 50 CCAA OCCN1CCN(Cc2nc(-c3ccccc3)no2)CC1 20500559 HZAUGAJHOSWLTK-UHFFFAOYSA-N 288.351 0.847 0 50 CCAA Cn1nccc1Cc1nc([C@H]2CN3CCC[C@H]3CO2)no1 329723154 CRHKWKVHOHPYCD-NWDGAFQWSA-N 289.339 0.930 0 50 CCAA CCC[C@H](N)CNS(=O)(=O)c1c(C)nn(C)c1C 158392270 XIUSNOBNIPUVQH-JTQLQIEISA-N 274.390 0.443 0 50 CCAA O=C(CCN1CC[C@H](CO)[C@@H](O)C1)Nc1nccs1 72157177 PYUAYMCHEYMTEI-ZJUUUORDSA-N 285.369 0.147 0 50 CCAA CCc1onc(C)c1C(=O)N1CCN2CCOC[C@H]2C1 365046478 LPNQMLNOFOHOFN-LLVKDONJSA-N 279.340 0.702 0 50 CCAA COCC(=O)N1CCC[C@@H](N(C)C(=O)COC)CC1 332057986 XRJNGTXOVKOTFE-LLVKDONJSA-N 272.345 0.119 0 50 CCAA CCc1nccn1CC(=O)N1CCC[C@@](O)(CN(C)C)C1 72133576 WFRMLMACDZLWRR-OAHLLOKOSA-N 294.399 0.361 0 50 CCAA COc1cc(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)nc(OC)n1 218950889 JTRVIZIMJMWGMI-GHORINQJSA-N 294.355 0.623 0 50 CCAA Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@H]1CCOC1 241338534 MBMPEZBTOCTCLR-JTQLQIEISA-N 288.311 0.881 0 50 CCAA O=C(CNC[C@@H]1CCCO1)N1CCO[C@@H]([C@@H]2CCCO2)C1 237891358 SFYMLVXOGMIDBB-MELADBBJSA-N 298.383 0.161 0 50 CCAA Cc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 226628325 GECUPEFDFNABPH-FOCJUVANSA-N 285.299 0.800 0 50 CCAA Cc1nnc(CCNC(=O)C[C@@H]2CCOC2)s1 426545150 QRKJXKPUNPBBDW-VIFPVBQESA-N 255.343 0.932 0 50 CCAA CCCn1nccc1S(=O)(=O)N1CCCNCC1 426566860 IAOQBVALKDHXHA-UHFFFAOYSA-N 272.374 0.277 0 50 CCAA O=c1c2ccc(F)cc2ncn1C[C@@H]1COCCO1 43125128 HNXYQLUFFVMRRV-SNVBAGLBSA-N 264.256 0.951 0 50 CCAA O=C1N[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(F)nc1)C2 96166107 QNXOJMUFQNZORJ-SCZZXKLOSA-N 278.287 0.963 0 50 CCAA O=C1C[C@@H](C(=O)NC[C@@H]2CCC3(CCCC3)O2)NC(=O)N1 616718752 IMLZIWULFQREIA-UWVGGRQHSA-N 295.339 0.193 0 50 CCAA C[C@H](C(=O)NCCc1nccs1)N1CCN(C)CC1 338113814 FTIDXCCTHCMWDA-LLVKDONJSA-N 282.413 0.438 0 50 CCAA C[C@@H]1CCN(CC(=O)N(C)CCc2cnn(C)c2)C1=O 95522409 ORYFDXYVHCNWIF-LLVKDONJSA-N 278.356 0.289 0 50 CCAA NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)OCO2 238057218 FGRMBNJWUXSBJE-GXSJLCMTSA-N 298.364 0.821 0 50 CCAA CC[C@@H](NC(=O)Cn1ccnc1C)[C@H]1C[C@H](O)C1 244874718 XGCHJHSQFZEQMX-IJLUTSLNSA-N 251.330 0.857 0 50 CCAA CN1CCN2CCN(C(=O)Cc3ccccc3O)C[C@H]2C1 244773960 PJKXDLSEAXIHGV-CQSZACIVSA-N 289.379 0.393 0 50 CCAA CSCc1noc(CN2CCN(c3nc[nH]n3)CC2)n1 252479601 BIIKMNUSTQBVRW-UHFFFAOYSA-N 295.372 0.373 0 50 CCAA COC[C@@H](c1ccccn1)N(C)CC(=O)N1CCOCC1 252494387 NUHXWUQORPRQBW-AWEZNQCLSA-N 293.367 0.560 0 50 CCAA COC1CC(C(=O)NCC[C@@]2(O)CCCOC2)C1 628009000 FCPJCHJFYBGJRW-XIVSLSHWSA-N 257.330 0.459 0 50 CCAA CCN1C[C@H](Nc2cc(OC)nc(N)n2)[C@@H](OC)C1 534653817 JWNAAOKTXMSEHM-IUCAKERBSA-N 267.333 0.198 0 50 CCAA Cc1nc(C)c(C(=O)NCCn2cncn2)s1 263864891 YGIRTEQUMRNATC-UHFFFAOYSA-N 251.315 0.781 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1ccc(Cn2cccn2)o1 534580225 IQNBDJXKLGUOGT-AAEUAGOBSA-N 290.323 0.241 0 50 CCAA Cc1c[nH]ccc1=NCCN[C@H](C)CN1CCN(C)CC1 823789215 RRZFKERIYXQYAW-OAHLLOKOSA-N 291.443 0.449 0 50 CCAA O=S(=O)(NCCCn1cc(Cl)cn1)N1CCCC1 825613795 SFBHVTQYBSROMG-UHFFFAOYSA-N 292.792 0.857 0 50 CCAA CC(C)(CN1C[C@@H](CO)[C@H](CO)C1)N1CCCCC1 828785134 SPWAFUSEDZWFIN-KBPBESRZSA-N 270.417 0.784 0 50 CCAA COc1cccc2c(=O)n(C[C@](C)(O)CCCO)cnc12 584901762 PWTXKTHFEWWEFL-OAHLLOKOSA-N 292.335 0.929 0 50 CCAA CO[C@@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 670460052 PHBOANJZHKEUBS-MRVPVSSYSA-N 293.776 0.791 0 50 CCAA O=C(NCCN1CCCC[C@@H]1CO)c1cncc(F)c1 670453700 AEWLHSGJKWKCTO-CYBMUJFWSA-N 281.331 0.797 0 50 CCAA O=C(NCc1nnc2n1CCCC2)[C@@H]1CCSC1 408300583 ITBXYAMCECXUFS-SECBINFHSA-N 266.370 0.984 0 50 CCAA CN(Cc1ccc(O)cc1)c1ccc(C(N)=O)nn1 170088084 ZYJXDGDDWMZOLB-UHFFFAOYSA-N 258.281 0.918 0 50 CCAA O=C1CC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C(=O)N1 305894156 PRKKJISPKXLKBB-RQJHMYQMSA-N 260.240 0.343 0 50 CCAA C[C@H]1CN(C(=O)[C@@H]2C[C@@H](C)O[C@H]2C)C[C@@H](C(=O)O)O1 1594201257 DXJXLWYXWRBWCZ-KJPMQGKISA-N 271.313 0.500 0 50 CCAA CNC(=O)CC(=O)Nc1cccc(-c2ncn(C)n2)c1 186716725 SEUAZSIVZKXDSX-UHFFFAOYSA-N 273.296 0.557 0 50 CCAA COc1ccccc1O[C@H](C)CNC(=O)COCC(=O)O 585090030 XGFMRJZQQPUIPT-SNVBAGLBSA-N 297.307 0.680 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(c2ccncc2C)C1 643720802 NLGLPFUXAJPZPU-AWEZNQCLSA-N 263.341 0.857 0 50 CCAA OC[C@@H]1CN(Cc2ccnn2-c2ccncc2)CCO1 667620567 IANLERDPJOEZQU-AWEZNQCLSA-N 274.324 0.460 0 50 CCAA CN(CCC(=O)O)S(=O)(=O)c1cnn(CC2CC2)c1 777913964 WVMKWWKJVHFTRC-UHFFFAOYSA-N 287.341 0.388 0 50 CCAA CC1=C(C(=O)N2CCc3n[nH]c(C)c3C2)OCCO1 1506400976 DCOFQBYEOKHEOY-UHFFFAOYSA-N 263.297 0.881 0 50 CCAA Cc1nncn1CCN1CCC[C@@](CO)(CN(C)C)C1 1506423118 CLELHKXUDCYDMT-CQSZACIVSA-N 281.404 0.223 0 50 CCAA OC[C@H]1C[C@H](O)CN1c1ncccc1Br 408105684 IOMQJGJVBCMLQP-SFYZADRCSA-N 273.130 0.776 0 50 CCAA NC(=O)C[C@@H]1CCCCN1C(=O)CC1(N)CCC1 237890928 QUDPFAFHWNFIBM-JTQLQIEISA-N 253.346 0.514 0 50 CCAA COC(=O)[C@@](C)(O)CON1C(=O)c2ccccc2C1=O 307404265 CEGWZOZDZYAQDD-ZDUSSCGKSA-N 279.248 0.138 0 50 CCAA CCc1ncsc1NC(=O)C1(NC(N)=O)CC1 331552653 WBPAOESFSBDBSV-UHFFFAOYSA-N 254.315 0.845 0 50 CCAA O=C(NC[C@H]1CCCCO1)[C@H]1COCCN1CC(F)F 332849874 UYTPRKLTXPYEMU-GHMZBOCLSA-N 292.326 0.638 0 50 CCAA NS(=O)(=O)C[C@H]1CCCCN1CCC1(O)CCC1 931233193 XVOUJKSHOOQXNB-LLVKDONJSA-N 276.402 0.435 0 50 CCAA CN1CCCCC[C@@H]1C(=O)NCCc1cnn[nH]1 1857707015 WGIGBTNYPXRWRM-LLVKDONJSA-N 251.334 0.338 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2ccon2)CC[C@@H]1N 1857735552 FFMFCIXBVJLJIY-LSJOCFKGSA-N 253.302 0.433 0 50 CCAA CN(CCN1CCCC1)C[C@@H]1CCC(=O)N(C)C1 1775983148 YQYNTWNROBGLOO-ZDUSSCGKSA-N 253.390 0.882 0 50 CCAA CCc1ncc(C(=O)N[C@@H]2C[C@H]3CO[C@H](C)CN3C2)cn1 1857723845 ZBKZHWASYZHIGA-RTXFEEFZSA-N 290.367 0.630 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2nsnc2C)C[C@@H]1O 1857737613 VGWIVXIEEDFUDL-GXFFZTMASA-N 299.396 0.832 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)n(C)c1 408085409 ZMQIRHGEJQCWNH-NSHDSACASA-N 277.324 0.126 0 50 CCAA COc1ccnc(CN2CCC[C@@](O)(CC(N)=O)C2)c1 643805655 PBUQSAGKIBOJEX-CQSZACIVSA-N 279.340 0.293 0 50 CCAA Cc1nccn1CC(=O)N1CC[C@@]2(CO)CCCN[C@@H]2C1 1704297079 GEDDGFIXCZKKGZ-UKRRQHHQSA-N 292.383 0.155 0 50 CCAA O=C(NC[C@@H]1CCC(F)(F)C(=O)N1)c1ncccn1 1875293838 DWNUQQAPVVPKPM-ZETCQYMHSA-N 270.239 0.120 0 50 CCAA NCCn1cc(C(=O)NCc2nc3c(s2)CCC3)cn1 1875292555 LRNDJORHPWLGLL-UHFFFAOYSA-N 291.380 0.717 0 50 CCAA CC(C)c1noc(CCCC(=O)N2CCOCCN2)n1 1875267855 FUBBVZVMYZHGGI-UHFFFAOYSA-N 282.344 0.879 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)c1cc(-n2cccc2)ccn1 1875258130 ZWKSHAGJGQBWGA-UHFFFAOYSA-N 298.306 0.669 0 50 CCAA CC1(C)[C@H](CC(=O)N2CCN3C(=O)CC[C@@]32C)C[C@H]1O 1875297748 CGUNDBVDVYOBAL-RWSFTLGLSA-N 280.368 0.964 0 50 CCAA CC(C)n1cc([C@H]2C[C@H]2C(=O)NCc2nc(O)n[nH]2)cn1 1875332708 GBFULAUTGAXKJV-NXEZZACHSA-N 290.327 0.708 0 50 CCAA CN(CCO)Cc1cn([C@H]2Cc3ccccc3[C@@H]2O)nn1 881010290 FBIHBRVRYIHMGX-GJZGRUSLSA-N 288.351 0.533 0 50 CCAA Cc1noc([C@H]2OCC[C@H]2CNC(=O)c2cncn2C)n1 886085672 KFVFGGWPVQIFFE-ONGXEEELSA-N 291.311 0.619 0 50 CCAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)CCc1cn(C)nn1 886731605 JNENWZVVVKFMSB-LBPRGKRZSA-N 293.371 0.169 0 50 CCAA CON1CCC(CC(=O)N2CCNC[C@H]2C)CC1 888096882 VRIOLIRBDGIQBE-LLVKDONJSA-N 255.362 0.470 0 50 CCAA Cn1cccc(NC(=O)N2CCC[C@H](O)C2)c1=O 408217971 OIFNRJLVYSNNEN-VIFPVBQESA-N 251.286 0.374 0 50 CCAA CSC[C@H](NC(=O)N(C)Cc1ncc[nH]1)C(=O)O 670457220 KTIULVAZVMLAIA-ZETCQYMHSA-N 272.330 0.367 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 630253324 XOKXQTVEDLKHKH-PRFIWBCESA-N 269.297 0.256 0 50 CCAA CCOC(=O)c1csc(CN2C[C@@H](O)C[C@H]2CO)n1 432773411 FYYQSMQDYJOGCX-IUCAKERBSA-N 286.353 0.247 0 50 CCAA O=C(NC[C@@H]1CNCCCO1)[C@H]1Cc2ccccc21 333232661 UWIHGDOZTJNSKY-JSGCOSHPSA-N 260.337 0.821 0 50 CCAA Cn1cnc2c[nH]c(=NCc3n[nH]c4c3CCC4)nc21 2100539472 KALBXWOMAXZXBW-UHFFFAOYSA-N 269.312 0.609 0 50 CCAA CCOc1ccccc1N(CC(N)=O)S(C)(=O)=O 379149 UPZSYPFQKUBDLU-UHFFFAOYSA-N 272.326 0.337 0 50 CCAA COC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O)cc1 1081560 JFRBMLFYWIKSNE-UHFFFAOYSA-N 288.281 0.228 0 50 CCAA CCC[C@H](N)C(=O)N[C@H](CCSC)C(=O)OC 2172698 VBKZYWWMOVNWTB-DTWKUNHWSA-N 262.375 0.525 0 50 CCAA O=S1(=O)CC[C@H](NS(=O)(=O)c2ccccc2)C1 3292363 XTMOTIGEBLVQPG-VIFPVBQESA-N 275.351 0.152 0 50 CCAA COCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 4689011 WVGYFMLBIOFIBT-UHFFFAOYSA-N 286.353 0.459 0 50 CCAA COC(=O)c1cnc(N2CCN(C)CC2)nc1C 8731934 XJCNDNBCZAERBV-UHFFFAOYSA-N 250.302 0.323 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H]2CCN[C@@H]2C1 50252953 KEFCBAZQCMFPPP-WDEREUQCSA-N 284.385 0.019 0 50 CCAA COC(=O)Cc1c(C)[nH]c2nc(-c3ccco3)nn2c1=O 100271271 XCUSIKFZTPRIQN-UHFFFAOYSA-N 288.263 0.702 0 50 CCAA CC[C@H](C)NC(=O)CN1CCCC[C@H]1C(=O)OC 248137594 AMXTWFMKEOLBGY-QWRGUYRKSA-N 256.346 0.929 0 50 CCAA C[C@@H](CN1CCCCCC1)NCCN(C)S(C)(=O)=O 67726631 WFLUZRRBNIDRBM-ZDUSSCGKSA-N 291.461 0.732 0 50 CCAA CCOC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 252474515 GYFMILMYWKYQQB-JHJVBQTASA-N 270.373 0.184 0 50 CCAA CC(=O)c1nnn(-c2nonc2-n2cccc2)c1C 108202 WEOHNQSKAMALMO-UHFFFAOYSA-N 258.241 0.952 0 50 CCAA C[C@H]1CCCN1CC(=O)Nc1ccn([C@@H]2CCNC2)n1 328645292 ZNZCWHORRMNVQG-NWDGAFQWSA-N 277.372 0.840 0 50 CCAA Cc1cc(CC(=O)N[C@@H]2CCC(=O)N[C@@H]2C)n[nH]1 282114688 HDJIQCUFQULQJZ-PSASIEDQSA-N 250.302 0.044 0 50 CCAA CN(Cc1cccc(OCC(N)=O)c1)Cc1cnccn1 215338128 CTBIVVJHBQZZJB-UHFFFAOYSA-N 286.335 0.973 0 50 CCAA C/C=C/Cc1nnc(C(=O)N2CCC[C@H](C(N)=O)C2)o1 71745976 JZCCKXOHXQUULY-HPOULIHZSA-N 278.312 0.526 0 50 CCAA C[C@H]1CN(C(=O)CCOc2ccc(C(N)=O)cc2)CCN1 155090830 OSDLPTANENJIPT-NSHDSACASA-N 291.351 0.375 0 50 CCAA CN(CCCc1cnn(C)c1)C(=O)[C@@H](O)C(F)(F)F 71388698 TWSXKVIHWSSPIA-SECBINFHSA-N 279.262 0.734 0 50 CCAA COc1cccc([C@H](O)C(=O)N2CC(O)(C3CC3)C2)c1 365248691 WGTXSTLLJMHLTA-ZDUSSCGKSA-N 277.320 0.712 0 50 CCAA CN(CCCO)C(=O)[C@@H]1Cc2ccc(F)cc2C(=O)O1 367028507 GHCNTQINLNSFAR-LBPRGKRZSA-N 281.283 0.748 0 50 CCAA CC(C)[C@@H](NC(=O)Cc1cccc(C(=O)O)c1)C(N)=O 262273098 YLVPVNGJMROELW-GFCCVEGCSA-N 278.308 0.553 0 50 CCAA C[C@@H]1CC[C@@H](C(=O)N2CCO[C@H](CC(=O)O)C2)O1 157957882 VWLGEASSLOVENR-BBBLOLIVSA-N 257.286 0.256 0 50 CCAA Cn1ncc(CN2C[C@@H](CO)Oc3ccccc32)n1 377820203 BNXVKMPXZMPMSJ-NSHDSACASA-N 260.297 0.575 0 50 CCAA O=C(NCCn1cnnc1)c1ccccc1[C@@H]1CCNC1 77392968 SCJXNBGUQHWPKU-GFCCVEGCSA-N 285.351 0.785 0 50 CCAA CCCNc1ncc(CN2CC[C@@](O)(CN(C)C)C2)cn1 72456545 ORZUXTRYLNPWEZ-OAHLLOKOSA-N 293.415 0.797 0 50 CCAA COC[C@@H]1CN(C(=O)c2ccnn2C)CC(C)(C)O1 284924227 CTWWJDLZRVURAQ-JTQLQIEISA-N 267.329 0.686 0 50 CCAA CC(C)n1cc(CN2CCO[C@H](C)[C@H]2C(N)=O)cn1 284542506 HGNDNGWKGSINGS-PWSUYJOCSA-N 266.345 0.539 0 50 CCAA CNCc1nnc(SCc2nc(C)no2)n1C 426545110 SDJGAWUSWJARAC-UHFFFAOYSA-N 254.319 0.518 0 50 CCAA Cc1nc(SCCNC(=O)N2CCOCC2)n[nH]1 426361674 JIZFTIMDIOPINU-UHFFFAOYSA-N 271.346 0.247 0 50 CCAA Cc1cccnc1CCNC(=O)[C@H](C)N1CCN(C)CC1 426548382 BIPRBEGNUNMZAZ-AWEZNQCLSA-N 290.411 0.685 0 50 CCAA CN[C@H]1CCCN(C(=O)c2ncncc2Cl)C1 178594794 VPWNESLYKMBDKJ-QMMMGPOBSA-N 254.721 0.954 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)c2n[nH]c3ccccc3c2=O)C1 238104507 QRQQYSBFEWPQCT-QMMMGPOBSA-N 287.275 0.470 0 50 CCAA CN(C(=O)c1ccccc1N1CCOCC1)[C@H]1CCNC1 179110315 KCDYBWHPLPMYQX-ZDUSSCGKSA-N 289.379 0.957 0 50 CCAA CSCCC(=O)N1CCC2(CC1)CN[C@H](C(=O)O)C2 91391403 TUPUEXDTVNRBKT-JTQLQIEISA-N 286.397 0.795 0 50 CCAA CN1CCC[C@@H]1CN1CCN(c2nc[nH]n2)CC1 243893547 ARZXICCGYNRMLY-LLVKDONJSA-N 250.350 0.021 0 50 CCAA C[C@@H]1CN(c2ncncc2Br)CC(=O)N1 295710107 KDBVZWCWTWWYNW-ZCFIWIBFSA-N 271.118 0.564 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC(=O)N1 295890599 CPRVUPIHNRVAAZ-SECBINFHSA-N 296.348 0.131 0 50 CCAA C[C@@H](C(=O)Nc1nncs1)N(C)C1CCOCC1 244646877 GQSQYJVQLDHSKW-QMMMGPOBSA-N 270.358 0.976 0 50 CCAA O=C(O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 521398706 MFOJSXRKNQFBTO-APPZFPTMSA-N 250.172 0.882 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(O)cc4)C(=O)[C@H]13)O2 247390545 LGMIDFONWNZNQJ-YXMPFFBPSA-N 287.271 0.763 0 50 CCAA O=C(CCCn1cnnn1)NCC1(Cn2cccn2)CC1 534587452 IUUBBZPAWGSXHQ-UHFFFAOYSA-N 289.343 0.246 0 50 CCAA CC(C)Cc1noc(CNC(=O)CCn2cnnc2)n1 534664035 RQVOZEPEVMQWDT-UHFFFAOYSA-N 278.316 0.566 0 50 CCAA O=C(CN1CCCCCCC1)NCCn1ccnn1 534651121 QNCDCPWVVFXXLA-UHFFFAOYSA-N 265.361 0.660 0 50 CCAA CN(C)CC(C)(C)NC(=O)CCc1cnccn1 534672373 GYKXOXNWWKGLAL-UHFFFAOYSA-N 250.346 0.866 0 50 CCAA O=C(NCCN1CCC[C@@H](CO)C1)C1CC=CC1 828711102 DNSFLKYVVNGJRI-GFCCVEGCSA-N 252.358 0.773 0 50 CCAA CCc1noc(CNC(=O)CCc2cnn(C)c2)n1 584886236 UAGIMJGZUKLLST-UHFFFAOYSA-N 263.301 0.615 0 50 CCAA COCCN1C[C@H](CNc2ncccc2C(N)=O)CC1=O 670463518 BUPWBMJDHUFYNX-JTQLQIEISA-N 292.339 0.087 0 50 CCAA COC(C)(C)CCNC(=O)[C@H](C)N1CCCC1=O 670459031 QGKXSIOAKDXDJC-JTQLQIEISA-N 256.346 0.929 0 50 CCAA CCN(CC(=O)NC)C(=O)C(F)(F)C1(O)CCCCC1 1362098560 YSEJKMVGEXYRRB-UHFFFAOYSA-N 292.326 0.911 0 50 CCAA CCn1ncnc1CNC[C@@H]1CCN(CCOC)C1 952975462 ZJMMCRKZJHOKJF-LBPRGKRZSA-N 267.377 0.356 0 50 CCAA COC[C@H](NS(=O)(=O)c1ccccc1OC)C(=O)O 167430931 UGWFPLICDVDVCS-QMMMGPOBSA-N 289.309 0.073 0 50 CCAA C[C@H](CCCO)NC(=O)Cn1cc(C2CC2)nn1 305082433 RHOIYPARRJBUNY-SECBINFHSA-N 252.318 0.433 0 50 CCAA CO[C@@H]1CCC[C@H](CC(=O)N[C@H]2CC(=O)N(C)C2)C1 408311484 ZFAUIAPFYMNPQI-SDDRHHMPSA-N 268.357 0.929 0 50 CCAA CCS(=O)(=O)NC(=O)c1cnc(C)nc1C(C)C 169987064 FRHCWPSZCHRJMW-UHFFFAOYSA-N 271.342 0.988 0 50 CCAA Cc1ccccc1C1(C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 171030660 WMNCBFZLFBVCFU-CYBMUJFWSA-N 288.347 0.739 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2nc3c(F)cccc3n2C)C1 583616815 KIEZXRROJJAZGM-KWQFWETISA-N 292.314 0.791 0 50 CCAA C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@H]1C(=O)O 648450876 QYJNJKKCCKJZOE-GXSJLCMTSA-N 280.280 0.161 0 50 CCAA CCS(=O)(=O)c1ccccc1N1CC[C@@H](C(N)=O)C1 195576169 BBZWSIFIPAZSLN-SNVBAGLBSA-N 282.365 0.792 0 50 CCAA Cc1c(NC(=O)CCN2CCN(C)CC2)cnn1C 1143223684 GFKNQXFPOHWNQO-UHFFFAOYSA-N 265.361 0.305 0 50 CCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)c1cc(F)ccc1F 659169521 DONQKTQBWGLOAL-VHSXEESVSA-N 271.219 0.937 0 50 CCAA C[C@@]1(C2CC2)NC(=O)N(C[C@H](O)c2ccc(F)cn2)C1=O 799608899 TYDJMYMGKQKQQZ-FZMZJTMJSA-N 293.298 0.975 0 50 CCAA CCn1nc(C)c(CNC(=O)[C@H]2C[C@@H]3[C@H](N)C[C@H]3C2)n1 1615551504 CFBKBZNVTFTRNF-WISYIIOYSA-N 277.372 0.596 0 50 CCAA NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCO2)cc1 804625 XYZNRFUYDHNPBE-LBPRGKRZSA-N 298.364 0.172 0 50 CCAA C[C@H](CN1CCCCCC1)NCCN(C)CCO 1506417873 CBNPCJSWSVYZSB-CQSZACIVSA-N 257.422 0.765 0 50 CCAA CC(=O)Nc1nonc1NC(=O)[C@@]1(C)CC(C)=NO1 1529158546 FBJYYPNNIWHQNE-SNVBAGLBSA-N 267.245 0.521 0 50 CCAA COCC(=O)N1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13 1857698019 DURPXPDRJOWOMG-WDMOLILDSA-N 282.340 0.217 0 50 CCAA CCOC(=O)[C@H]1CN(Cc2ccco2)C(=O)C1=O 2159705 YGYRGGBYAUAMKP-VIFPVBQESA-N 251.238 0.370 0 50 CCAA in-vitro O=C(O)CN1C[C@@H]2COC[C@H](C1)N(Cc1ccoc1)C2 1772706621 JLPMXZAIWOCBLM-STQMWFEESA-N 280.324 0.497 0 50 CCAA CCCN1CCC(N2C[C@@H]3COC[C@]3(C(=O)O)C2)CC1 1775977932 KOZGFXMVEOTKKR-IUODEOHRSA-N 282.384 0.894 0 50 CCAA c1nc(N2CCN3CCOC[C@H]3C2)c2[nH]ccc2n1 1772806397 DXECRDCWMRKMSG-SNVBAGLBSA-N 259.313 0.479 0 50 CCAA Cc1nccn1C[C@H](C)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772807268 LHIBRWZOABQKID-WCFLWFBJSA-N 265.357 0.113 0 50 CCAA CC(=O)N1CCC[C@H]1c1nc(C)nn1-c1ccnn1C 1772805469 LPKBVHBYYUOCSQ-NSHDSACASA-N 274.328 0.993 0 50 CCAA CCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 5147977 LCVIFIJHIRJLRM-MRVPVSSYSA-N 290.327 0.211 0 50 CCAA Cc1[nH]c(=N)nc(N2C[C@H]3COC[C@@H]2CN(C)C3)c1Cl 1875250040 SVYNVWKGFNYKBC-UWVGGRQHSA-N 297.790 0.618 0 50 CCAA O[C@H]1CO[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O 1319681 KRNWQNYQBBRLMC-ZOLYEBIHSA-N 252.266 0.221 0 50 CCAA in-vitro Cc1cc(CNC(=O)CN2CCCC[C@@H](O)C2=O)ccn1 644493159 RHHOJIQQODDERC-CYBMUJFWSA-N 291.351 0.380 0 50 CCAA Cc1cc(C)n(Cc2nc([C@H](C)NC(N)=O)no2)n1 332682810 KCFOLXBMYFYRIA-QMMMGPOBSA-N 264.289 0.661 0 50 CCAA COC(=O)c1n[nH]cc1I 12396237 ZRVNKQJWKJVSSF-UHFFFAOYSA-N 252.011 0.801 0 50 CCAA in-vitro O=C(NCc1nnnn1CC1CC1)[C@@H]1[C@H]2CCC[C@H]21 252587650 ZQKFFYRIVYMMER-IAZYJMLFSA-N 261.329 0.745 0 50 CCAA COc1cc(C)nc(N(C)CC2(O)CCOCC2)n1 681992623 PCMYFZPSBOHACT-UHFFFAOYSA-N 267.329 0.771 0 50 CCAA CC(C)OC(=O)CCCNC(=O)N1CCNC(=O)[C@@H]1C 390834499 ZUQYVQIQRYKHDS-JTQLQIEISA-N 285.344 0.248 0 50 CCAA CC(C)[C@H](O)CC(=O)NCc1ccc(C(=O)O)nc1 910980163 PZKBWDGQHIQVPN-LLVKDONJSA-N 266.297 0.803 0 50 CCAA C[C@H](ONC(=O)[C@@H]1CNC(=O)O1)c1ccncc1 1875297910 IGZHCKWLJOMLID-CBAPKCEASA-N 251.242 0.299 0 50 CCAA CC(=O)[C@H]1CCN(C(=O)c2ccc(CC(N)=O)cc2)C1 1875317196 RBMCXJBHLVSXNA-ZDUSSCGKSA-N 274.320 0.766 0 50 CCAA CS(=O)(=O)NC(=O)[C@@H]1C[C@]12CCOc1ccccc12 1875391129 ANKARMCHWMQCCK-GWCFXTLKSA-N 281.333 0.803 0 50 CCAA C=CC(=O)N1CCC(C(=O)NC[C@@H](O)C(C)(C)C)CC1 1875369571 WMXVXJKJYUCZDX-GFCCVEGCSA-N 282.384 0.934 0 50 CCAA Cc1nccnc1N1CCC[C@@](O)(Cc2nncn2C)C1 886065799 VAISJMXEIJIELF-CQSZACIVSA-N 288.355 0.488 0 50 CCAA COCc1nc(O)cc(NCc2nnc3n2CCC3)n1 891655262 GIONMRILOXVFQZ-UHFFFAOYSA-N 276.300 0.478 0 50 CCAA NCc1cc(C(=O)N2CCN(CC3CC3)CC2)ccn1 130110344 JHWZELJIWFSUGI-UHFFFAOYSA-N 274.368 0.708 0 50 CCAA C1CC(c2nc(CN3CCOCC3)no2)CCO1 195513708 OHHIOQGNJGUEJP-UHFFFAOYSA-N 253.302 0.796 0 50 CCAA O=C(O)CCCNCC[P@@](=O)(O)CN1CCOCC1 2904329 LZJCVGCXPMVSQF-UHFFFAOYSA-N 294.288 0.001 0 50 CCAA Cc1cccc(CCN2CCO[C@H](c3nnnn3C)C2)n1 2100537725 SEMXYZCTYCLAQS-ZDUSSCGKSA-N 288.355 0.530 0 50 CCAA COCCNC(=O)c1ccc(C(=O)NCCOC)cc1 2742547 HABDCFGCKPCVED-UHFFFAOYSA-N 280.324 0.439 0 50 CCAA O=C1c2ccccc2C(=O)N1CCOCCOCCO 8700308 XHEZLQRARQJFLN-UHFFFAOYSA-N 279.292 0.308 0 50 CCAA CC(=O)Nc1cccc(NC(=O)CN(C)S(C)(=O)=O)c1 22606668 JUUCNCAXCFRJCX-UHFFFAOYSA-N 299.352 0.475 0 50 CCAA CCn1ccnc1CN1CCC2(CC1)C(=O)NCCN2C 67790252 WNAKDWFHKCLNEG-UHFFFAOYSA-N 291.399 0.299 0 50 CCAA CCN(CC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O)C1CC1 347195081 LEUOBQWKLQHJKI-RBSFLKMASA-N 296.411 0.859 0 50 CCAA CCNC(=O)N1CCC2(CC1)NC(C1CC1)=NC2=O 63844867 NHEVGVCDKHVRSQ-UHFFFAOYSA-N 264.329 0.489 0 50 CCAA CN1CCN(Cc2cc(C(F)(F)F)n[nH]2)C[C@@H]1CCO 20860932 DYAMQORQPUUFFB-JTQLQIEISA-N 292.305 0.927 0 50 CCAA CN1CC[C@H](C(=O)N[C@H](C(=O)O)c2ccccc2)CC1=O 138454806 NKUGCQPXGCQJJB-AAEUAGOBSA-N 290.319 0.797 0 50 CCAA CN(C=O)c1c(NCc2ccccc2)[nH]c(=O)n(C)c1=O 330351 FTNDYUJIAQWNKB-UHFFFAOYSA-N 288.307 0.278 0 50 CCAA CCN(CC(=O)O)C(=O)Cn1ncc2ccccc21 236943393 CUTYLVOIGSFUEV-UHFFFAOYSA-N 261.281 0.969 0 50 CCAA Cc1nc(N2CCOCC2)ccc1NC(=O)C1(C)CNC1 333309411 RLTKPLQWDBRGKL-UHFFFAOYSA-N 290.367 0.775 0 50 CCAA CC(C)[C@H]1CN(CC(N)=O)CCC(=O)N1CC1CC1 71551661 QPWYZPCCECPHCD-GFCCVEGCSA-N 267.373 0.441 0 50 CCAA O=C(Cc1ccc(F)cc1Cl)NC[C@]1(O)CCNC1 215583115 BFFPZBBCFBBBIV-ZDUSSCGKSA-N 286.734 0.862 0 50 CCAA CCCCS(=O)(=O)NCC(=O)N[C@H](C)c1ccccn1 341140799 CBOWZLKPNQLANW-LLVKDONJSA-N 299.396 0.978 0 50 CCAA Cn1cc(NC(=O)[C@@H]2C[C@H]2C2CC2)c(=O)n(C)c1=O 177418132 UEKMZDXVJILUIA-DTWKUNHWSA-N 263.297 0.069 0 50 CCAA C[C@H](Cn1cccn1)C(=O)NCC1(N(C)C)CCOCC1 223060562 SXHXPXYLDHSOPQ-CYBMUJFWSA-N 294.399 0.746 0 50 CCAA CSCc1ccc(C(=O)NCCN2CCNC2=O)o1 220180771 GGKXFPCDCBSLTG-UHFFFAOYSA-N 283.353 0.898 0 50 CCAA CC(=O)NC(C)(C)C(=O)NCCc1cccc(O)n1 426715898 LDFUYBSATOLCLM-UHFFFAOYSA-N 265.313 0.361 0 50 CCAA Cc1ccn2c(C(=O)N3CCn4cccc4C3)nnc2n1 426551737 CJZKJJUQCLVXKL-UHFFFAOYSA-N 282.307 0.890 0 50 CCAA CN(C)C(=O)NCC(=O)N1CCCC[C@@H]1CC(=O)O 426563131 SPPQUNNYXFXODU-SECBINFHSA-N 271.317 0.113 0 50 CCAA CCO[C@H](C)C(=O)N1CCC(n2cnnc2)CC1 426535704 LEVSTDWYGBNSAH-SNVBAGLBSA-N 252.318 0.867 0 50 CCAA CN(C(=O)c1cc2ccccc2[nH]c1=O)[C@H]1CCNC1 179078765 QHRPKBSRUMCSNH-NSHDSACASA-N 271.320 0.962 0 50 CCAA Cc1nonc1Cn1ncc(N2CCCC2)cc1=O 95377246 KQCYRTLQEFZFCV-UHFFFAOYSA-N 261.285 0.583 0 50 CCAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)Cn1ccnn1 426628676 BHERVENYIKBJHF-QMMMGPOBSA-N 262.317 0.506 0 50 CCAA CCn1cnnc1CCNC(=O)N1CCCC[C@@H]1CCO 426730631 YWXYPKMBNJIUOK-GFCCVEGCSA-N 295.387 0.787 0 50 CCAA O=C(O)Cn1nc(C2CC2)nc1COC[C@H]1CCCO1 97413306 IUMRPRIHVGVQAS-SNVBAGLBSA-N 281.312 0.936 0 50 CCAA O=C(O)Cn1nc(C2CC2)nc1CCn1ccccc1=O 97797729 BHDLFUHGFTXAGF-UHFFFAOYSA-N 288.307 0.645 0 50 CCAA CC[C@H](C)[C@H](NC(=O)CCc1n[nH]c(C)c1C)C(N)=O 97572201 OWCLOPGGJNCHPY-SDBXPKJASA-N 280.372 0.975 0 50 CCAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1ccncn1)C2 95387903 HDLPQCULQMGGLA-NWDGAFQWSA-N 276.340 0.550 0 50 CCAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)CCn1cnnc1)CC2 91907314 LBKVNYXBTXQWKX-NEPJUHHUSA-N 294.355 0.057 0 50 CCAA O=C(c1cnc[nH]1)N1CCC(C(=O)N2CCOCC2)CC1 244874656 XFCDBCIPRYBDNA-UHFFFAOYSA-N 292.339 0.121 0 50 CCAA CN(C)C(=O)C1=CN2C=CC=C(Br)[C@@H]2N1 255188354 JNDGTLFHSDFQGU-SECBINFHSA-N 270.130 0.953 0 50 CCAA CC(C)C[C@H](NC(=O)N1CCOCC1)c1ncnn1C 534637769 ACZQKIZSWNBSSN-NSHDSACASA-N 281.360 0.944 0 50 CCAA Cc1ccnc([C@@H](NC(=O)CNS(C)(=O)=O)C2CC2)c1 534579711 ZDBDJCUDOAAFAK-ZDUSSCGKSA-N 297.380 0.507 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)c1[nH]nnc1C 534661258 VVZVMXKMAIHBLR-MRVPVSSYSA-N 263.305 0.606 0 50 CCAA O=C(COCC(F)(F)C(F)F)N[C@@H]1CCCNC1=O 534664643 GETMIRWNVQGLTE-ZCFIWIBFSA-N 286.225 0.298 0 50 CCAA CC(C)(C)C(=O)C(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299755383 BAJXJKVSZFYWEL-QWRGUYRKSA-N 292.339 0.566 0 50 CCAA CN1CCCC[C@H]1CNS(=O)(=O)N1CCCC1 823777960 VHQFPWRPTAQRLE-NSHDSACASA-N 261.391 0.401 0 50 CCAA CCn1ccc(C(=O)N[C@H]2COC[C@@H]2OC)cc1=O 824506879 YGNMUYLPECYYGG-QWRGUYRKSA-N 266.297 0.012 0 50 CCAA CNC(=O)c1ccnc(NCCN2CCC[C@H](CO)C2)c1 828711073 BALQYQDTTXADNM-LBPRGKRZSA-N 292.383 0.557 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 584888889 QFWMBJXNAKQKFS-SNVBAGLBSA-N 287.327 0.302 0 50 CCAA Cc1cc(C)n(Cc2nc(CC(N)=O)nn2C(C)(C)C)n1 584884816 CGMJQCNEUKZBPH-UHFFFAOYSA-N 290.371 0.923 0 50 CCAA Cc1[nH]nc2c1CN(C(=O)Cc1cc(O)nnc1O)CC2 584890690 PEBXYQNSNZFAAF-UHFFFAOYSA-N 289.295 0.047 0 50 CCAA COCCN1CC[C@H](CN(C)S(=O)(=O)CC(C)C)C1 670447978 CMVYFQORXHXKNS-CYBMUJFWSA-N 292.445 0.872 0 50 CCAA COCc1cc(Cn2cnc3cccnc3c2=O)[nH]n1 584892197 CYPSWJJYFPSAOA-UHFFFAOYSA-N 271.280 0.709 0 50 CCAA CC(C)C[C@H]1CN(Cc2nc(C(N)=O)no2)CCO1 670437475 KEADLPHVAVWSAO-VIFPVBQESA-N 268.317 0.415 0 50 CCAA CO[C@H]1CCN(C(=O)Nc2nnc3ccccn23)C1 267814457 SDVRNQOJJHICMD-VIFPVBQESA-N 261.285 0.982 0 50 CCAA N[C@H]1CN(C(=O)NCc2cncc(O)c2)CC12CCC2 1553536256 IRVNSGPDXBCVKU-LBPRGKRZSA-N 276.340 0.810 0 50 CCAA Cc1c[nH]nc1CN1CCN([C@]2(C(=O)O)CCOC2)CC1 1600061631 BTENTNSIASSIKQ-CQSZACIVSA-N 294.355 0.079 0 50 CCAA CC1(C)CC(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)C1 701481225 YOGBNKZCKXZYOC-SNVBAGLBSA-N 265.313 0.958 0 50 CCAA CCOc1ccc(C(=O)N2CCO[C@@H](C(=O)O)C2)cn1 583650615 QQWJFJPWMKKADD-SNVBAGLBSA-N 280.280 0.406 0 50 CCAA COC[C@H]1CCCCN(C(=O)NCCc2nnnn2C)C1 681067745 QNFKNYQETFMPDK-NSHDSACASA-N 296.375 0.211 0 50 CCAA CC1(C)CC[C@H](CNC(=O)N2CCS(=O)(=O)CC2)O1 188660486 MWXIHINSWFEOQH-SNVBAGLBSA-N 290.385 0.384 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C[C@H](O)CN1CCCC1 685940568 OHFYOGMXPGBCRY-OCCSQVGLSA-N 286.372 0.009 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccc(OC)nc1 643944720 MQLICNQYDOHNKR-CQSZACIVSA-N 293.323 0.197 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)C1CCOCC1 644072643 ZBSRUDVELHUYPZ-MJBXVCDLSA-N 282.384 0.517 0 50 CCAA Cc1cc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)nnc1C 560401907 NDISYEFQMSEHJE-FDYHWXHSSA-N 286.335 1.511 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)Nc1ccncn1 194102995 QPCWPNVNKBZVIO-JTQLQIEISA-N 277.328 0.855 0 50 CCAA C[C@H](CN(C(=O)[C@H]1CC(=O)N(C)C1)C1CC1)C(=O)O 237610307 NGZUTKGYDDWBKV-BDAKNGLRSA-N 268.313 0.176 0 50 CCAA CC(=O)NCCN(C)C(=O)[C@@H]1CC[C@H](C(F)(F)F)N1 1615548348 NTXDBGAYUIVWGR-DTWKUNHWSA-N 281.278 0.264 0 50 CCAA COc1cc(CC(=O)Nc2nnnn2C)cc(OC)c1 1875276163 XXZVZPKHFYNUFB-UHFFFAOYSA-N 277.284 0.409 0 50 CCAA O=C(O)[C@@H]1CC[C@H]1S(=O)(=O)N[C@@H]1CC=CCC1 1875362777 SDHBOLCTEWPMAE-OPRDCNLKSA-N 259.327 0.878 0 50 CCAA COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@]12O 13155063 IPJBYSCSCXDDEE-DKCNOQQISA-N 274.342 0.205 0 50 CCAA CCn1cc(CN(CCO)C(=O)[C@@H]2CO[C@H](C)C2)cn1 331050401 KZOFVGQOASAPQP-YPMHNXCESA-N 281.356 0.649 0 50 CCAA CCOc1cc(N2CCC[C@@](O)(CC(=O)NC)C2)ncn1 643720692 KZTKESMIFBYTID-CQSZACIVSA-N 294.355 0.343 0 50 CCAA O=S(=O)(c1ccoc1)N1CCn2c(nnc2C2CC2)C1 571306446 GNOKUEHBYNKWLP-UHFFFAOYSA-N 294.336 0.953 0 50 CCAA Cc1cncc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)c1 1704328904 OOWBGZVOYKKSAV-JSGCOSHPSA-N 275.352 0.793 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)[C@@H](C)CN1CCOCC1 907834765 BZTBHKCIOGNJHO-ZDUSSCGKSA-N 297.399 0.200 0 50 CCAA Cc1[nH]nc2c1CCCN2C[C@H](O)Cn1cccn1 934308074 GPYSTBUVTDZACX-NSHDSACASA-N 261.329 0.728 0 50 CCAA CCOC(=O)CN(C)C(=O)[C@@H]1CN(C)C[C@H]1C(F)(F)F 952992696 BREVWRHETOKPNY-RKDXNWHRSA-N 296.289 0.748 0 50 CCAA C[C@@H](O)[C@H](O)CN1CC[C@H](Oc2cccnc2N(C)C)C1 1875275021 OXPZCBXZAMOOSZ-FRRDWIJNSA-N 295.383 0.342 0 50 CCAA CS(=O)(=O)NC(=O)[C@@H]1C[C@H]1Cc1ccccc1 1875391076 HXXJTMALMKOQPD-GHMZBOCLSA-N 253.323 0.941 0 50 CCAA COC[C@@]1(CNC(=O)/C=C/CN(C)C)CCCO1 1875376955 NZIKRJYOQNZUFV-BPJJOFIESA-N 256.346 0.416 0 50 CCAA CCNc1nc(C(=O)N2CCO[C@@H](CO)C2)cs1 270360451 RJFJORXMRBPFOZ-MRVPVSSYSA-N 271.342 0.408 0 50 CCAA C[C@H](C(=O)O)N1CCO[C@@](C)(c2cnn(C)c2)C1 262438132 CMINZRQGRXWQFF-BXKDBHETSA-N 253.302 0.441 0 50 CCAA CCc1cc(N2CCC[C@@](O)(C(N)=O)C2)nc(C)n1 284575260 JASGTPNZLOJIRU-ZDUSSCGKSA-N 264.329 0.164 0 50 CCAA Cc1nccn1C[C@H]1CCCN1Cc1cn(C)nn1 328599587 CFNNXNRSHJCTFQ-CYBMUJFWSA-N 260.345 0.985 0 50 CCAA NCC[C@@H](NC(=O)[C@@H]1CCc2nccn2C1)C(F)(F)F 655464717 GABGFFVYNCSLDY-RKDXNWHRSA-N 290.289 0.841 0 50 CCAA CCN([C@H](C)C(=O)O)S(=O)(=O)c1cn(C)c(C)n1 707929731 UYHCFWLNXDZRPT-SSDOTTSWSA-N 275.330 0.212 0 50 CCAA Cn1c(C(=O)N2CCc3ccccc3C2)cc(=O)n(C)c1=O 1425234 GGAAYKFRDZZTKL-UHFFFAOYSA-N 299.330 0.283 0 50 CCAA O=C(N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cccc(F)c1F 2100542855 JFEOSUNUQDLKAJ-LUTQBAROSA-N 285.246 0.222 0 50 CCAA CC(=O)c1ccc(OC(C)C)c(CC(C(N)=O)C(N)=O)c1 51439 FESKRDRAGPEXPN-UHFFFAOYSA-N 292.335 0.806 0 50 CCAA CCS(=O)(=O)c1cc(C(=O)O)c(OC)cc1N 2540786 OJVNCXHGGYYOPH-UHFFFAOYSA-N 259.283 0.769 0 50 CCAA in-vitro CC(=O)c1ccc(OCC(=O)NC[C@H]2COCCO2)cc1 55844870 BLCMKDFQGPHZDL-AWEZNQCLSA-N 293.319 0.800 0 50 CCAA C[C@@H](C(=O)O)N(C)C(=O)c1cccc2c1OCC(=O)N2 342566057 LBOWFGVMMGWRLH-ZETCQYMHSA-N 278.264 0.563 0 50 CCAA O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccncc1 112033724 OMUYOBLTFKMAHW-SECBINFHSA-N 287.241 0.975 0 50 CCAA O=C(c1cn[nH]c1)N1CC[C@](C(=O)O)(C(F)(F)F)C1 111239442 LCMGUOSRKPYJFE-VIFPVBQESA-N 277.202 0.889 0 50 CCAA Cc1cccc(C(=O)NC[C@@H](O)c2nccn2C)n1 20774118 RNVVCCSGGWHOTR-LLVKDONJSA-N 260.297 0.587 0 50 CCAA CCc1cc(NC[C@@H]2CCS(=O)(=O)C2)nc(N(C)C)n1 32578142 AVHCFUNOXFAWPC-JTQLQIEISA-N 298.412 0.952 0 50 CCAA O=C1COCCN1CC(=O)N1CCS[C@@H]2CCCC[C@H]21 253430637 KGRRXYQSIQCVGI-VXGBXAGGSA-N 298.408 0.732 0 50 CCAA COCCN(C[C@H]1CCCO1)C(=O)c1cn[nH]c1 215603698 RMEZSXAWOANSGF-LLVKDONJSA-N 253.302 0.677 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(=N)O)no1 328607906 XIWDHYKOSNJRQQ-IUCAKERBSA-N 284.291 0.660 0 50 CCAA Cc1nc(N)ncc1C(=O)NCC1(N(C)C)CCOCC1 218917569 KCISNPVJNIGETJ-UHFFFAOYSA-N 293.371 0.208 0 50 CCAA CNC(=O)C1(C(=O)N2CCOC[C@H](C3CCC3)C2)CC1 334598732 YESPDKBHVRXBRU-GFCCVEGCSA-N 280.368 0.788 0 50 CCAA CN1C(=O)CC[C@@H]1C(=O)N[C@H]1COc2ccccc2[C@@H]1O 378143911 FJKLSMVAWMZOJP-WDMOLILDSA-N 290.319 0.218 0 50 CCAA CN(CC(N)=O)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 285245035 QSUODKYWRJJDGD-ZFWWWQNUSA-N 277.368 0.475 0 50 CCAA Cc1cc(Cl)cc2c(=O)n(C(CO)CO)cnc12 43102964 MZNJKJYYWNCTBG-UHFFFAOYSA-N 268.700 0.884 0 50 CCAA CCCO[C@H](C)C(=O)NCCSc1nncn1C 221155952 VRIPJNLTJSYOLD-SECBINFHSA-N 272.374 0.839 0 50 CCAA CNC(=O)Cn1cc(NC(=O)[C@@H](C)n2cccc2)cn1 137133345 DJHACINZPZCUFW-SNVBAGLBSA-N 275.312 0.630 0 50 CCAA Cc1cc(C(=O)N[C@@H]2COCC[C@H]2O)c2c(C)noc2n1 220155519 TVAYWDHSZMZMBB-GHMZBOCLSA-N 291.307 0.719 0 50 CCAA Cc1nonc1OCCNC(=O)[C@@]1(C)CCCO1 426739924 VZBNEDPMAUXPNX-LLVKDONJSA-N 255.274 0.442 0 50 CCAA CSCC[C@H](O)C(=O)NCC1(Cn2ccnc2)CC1 220307654 NKYUEOABJDCTKA-NSHDSACASA-N 283.397 0.894 0 50 CCAA CC(C)NC(=O)CN(C)Cc1cccc(-c2nnn[nH]2)c1 95200411 FCQLKJPLBFFNLQ-UHFFFAOYSA-N 288.355 0.823 0 50 CCAA Cn1cc(CCCNC(=O)COc2cccnc2)cn1 244595092 DOOKKMVBPQYRFL-UHFFFAOYSA-N 274.324 0.943 0 50 CCAA COc1ccnc(N2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)n1 621337907 NCQXWVQWLRUOHB-WCBMZHEXSA-N 276.300 0.222 0 50 CCAA CNC(=O)c1noc(CN(C)CCc2scnc2C)n1 252488988 JDHUYBUXAJATPL-UHFFFAOYSA-N 295.368 0.869 0 50 CCAA CCc1cc(N2C[C@H](C)O[C@H](CO)C2)nc(C)n1 299962999 LKERERULCXLPGG-CABZTGNLSA-N 251.330 0.933 0 50 CCAA c1ccc(-n2nnnc2N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)cc1 534672972 CXHLUMHVJSSLMY-KPWCQOOUSA-N 282.351 0.849 0 50 CCAA O=C(NCC1(Cn2cccn2)CC1)c1ccc2nnnn2c1 534585981 YSKLNXQUMUPWLN-UHFFFAOYSA-N 297.322 0.531 0 50 CCAA COCCN1CCC[C@H](CNC(=O)c2csc(N)n2)C1 299801199 WBLCTWRFRLRLIM-SNVBAGLBSA-N 298.412 0.814 0 50 CCAA CC[C@](O)(CCCO)CNC(=O)c1cncs1 828747880 FOEOQYQQNCIGBI-NSHDSACASA-N 258.343 0.787 0 50 CCAA Cc1ncsc1CCc1nc(CC(N)=O)n[nH]1 825284820 SXYXFBGBLWSDHF-UHFFFAOYSA-N 251.315 0.383 0 50 CCAA COc1ccc2nc(CNC(=O)c3cc(N)n[nH]3)[nH]c2c1 824757772 FQWSMRVGHRYUKR-UHFFFAOYSA-N 286.295 0.807 0 50 CCAA C[C@@H](CS(C)(=O)=O)NCC1(N(C)C)CCN(C)CC1 823759460 JRYPNKSLOZBABP-LBPRGKRZSA-N 291.461 0.035 0 50 CCAA O=C1C[C@@H](C(=O)NCCN2CCCC2=O)C2(CCCC2)O1 828244563 PGCYJVYNRHESQV-NSHDSACASA-N 294.351 0.601 0 50 CCAA CCOC(=O)N1CC[C@@H](NC(=O)c2conc2COC)C1 1361417652 KMDJJMDXFIPDMN-SECBINFHSA-N 297.311 0.782 0 50 CCAA CCOC(=O)CN(C)C(=O)[C@H]1CN(C)C[C@H]1C(F)(F)F 952992692 BREVWRHETOKPNY-DTWKUNHWSA-N 296.289 0.748 0 50 CCAA CC[C@H](C(=O)N(C)Cc1nncn1CCOC)N(C)CC 952973357 NJCKGQBCNXWHKB-GFCCVEGCSA-N 297.403 0.613 0 50 CCAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1)c1ccnnc1 1565531054 GCPOGXNNRXJPKY-CRWXNKLISA-N 288.351 0.458 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](CC(F)F)C(=O)O 275302588 QNOKJNIVYAJIQY-ZCFIWIBFSA-N 297.283 0.413 0 50 CCAA CC(C)N(C)C(=O)N1CC(OCC(=O)N(C)C)C1 408283156 GOUKNDAJICBUME-UHFFFAOYSA-N 257.334 0.236 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1nccn(C)c1=O 277124210 ZCYIQCAQKAZCJY-VHSXEESVSA-N 265.313 0.924 0 50 CCAA C[C@@]1(C(F)F)CN(C(=O)C2=CCS(=O)(=O)C2)CCO1 630078721 TWMWAMFZLPAAOE-NSHDSACASA-N 295.307 0.224 0 50 CCAA CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCc1c[nH]c(=N)[nH]c1=N 638703486 IUPCKGULZNDEOI-AXFHLTTASA-N 277.372 0.595 0 50 CCAA O=C(O)CNC(=O)c1ccncc1Br 190529366 CSRYHKNRLCVIGP-UHFFFAOYSA-N 259.059 0.659 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)C2CC2)C1 643718804 HXRGJSXPSUYKDC-SCZZXKLOSA-N 271.342 0.664 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)c2ncc(F)cc2F)C1 644000539 OMXFNJAUWPROEC-CYBMUJFWSA-N 299.277 0.202 0 50 CCAA CC(C)c1nnc2n1C[C@@H](N=c1[nH]c(C(=O)O)co1)CC2 563207960 YUUZLNYFABFNNX-QMMMGPOBSA-N 291.311 0.937 0 50 CCAA CC12CN(S(=O)(=O)c3ccoc3)C(C(=O)O)(C1)C2 656523071 UASPBGCHTQWUFD-UHFFFAOYSA-N 271.294 0.907 0 50 CCAA CN(C1CC1)S(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)O 663289568 LAEYAKNRGODJKR-VIFPVBQESA-N 274.342 0.265 0 50 CCAA CC(=O)c1ccccc1-n1cc(C2(O)CNC2)nn1 1615571352 JPFHNPJTBRJQGS-UHFFFAOYSA-N 258.281 0.261 0 50 CCAA CNC(=O)CN(C)C(=O)c1c(C)oc2ncnc(O)c12 1616016599 WQYXECUIGBCQKX-UHFFFAOYSA-N 278.268 0.055 0 50 CCAA O=C(O)Cn1nnnc1SCC(=O)Nc1ccccc1 316839 KIUZTDGTWUKLIH-UHFFFAOYSA-N 293.308 0.489 0 50 CCAA CCC1=NO[C@@H](CNC(=O)CSc2nncn2C)C1 1506420952 CKCZFUNYWXISQN-SECBINFHSA-N 283.357 0.578 0 50 CCAA Nc1nc(NCCN2CCCC[C@@H]2CO)c2ncnc-2[nH]1 1529139766 SBUDTBZWYQMVJL-SECBINFHSA-N 291.359 0.145 0 50 CCAA C[C@H](NC(=O)C1(S(C)(=O)=O)CCC1)c1cnn(C)c1 331912774 CVBYFKIACGZHMP-VIFPVBQESA-N 285.369 0.565 0 50 CCAA COc1cc(NC(=O)N[C@H]2CCNC2(C)C)ncn1 333147594 MBONZRCLICZJOQ-QMMMGPOBSA-N 265.317 0.747 0 50 CCAA O=C(O)c1cnc(N2C[C@H]3[C@@H](C2)C3(CO)CO)c(Cl)c1 1772815744 ZURNTYKOLFVHSF-DTORHVGOSA-N 298.726 0.470 0 50 CCAA O=C1CCCCN1CCC(=O)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775980511 YLZYREKJPWQHKL-ITGUQSILSA-N 280.368 0.618 0 50 CCAA Cc1ccc(NC(=O)CN2CCN(CCO)CC2)cc1C 19877835 FCPLTEMCEZTYTQ-UHFFFAOYSA-N 291.395 0.852 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)Cc2ccncc2)C[C@@H]1O 1857725615 FXMXEEVIUYARPT-GOEBONIOSA-N 292.379 0.996 0 50 CCAA CC1(C)NC(=O)CC[C@H]1NC(=O)CCc1cn[nH]c1 629990745 GULDXPDQSSPOKB-SNVBAGLBSA-N 264.329 0.516 0 50 CCAA O=S(=O)(c1ncc[nH]1)N1CCC[C@@H]1CN1CCCC1 647897295 UXEXGUXDNZTVTA-LLVKDONJSA-N 284.385 0.659 0 50 CCAA COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cn[nH]c1 248961539 GOBPQSPKZFQTLM-LSJOCFKGSA-N 263.297 0.823 0 50 CCAA COC[C@H](C)S(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3OC 375677355 HYKLYFQNAFUKEC-LVTVNPDKSA-N 289.397 0.706 0 50 CCAA CN(C)CC(=O)N1CCOc2ccccc2[C@@H]1C(=O)O 911061244 BPMMHAZVLKAUAT-CYBMUJFWSA-N 278.308 0.595 0 50 CCAA Cc1cnc(CN2CCN([C@]3(C(=O)O)CCOC3)CC2)o1 886072016 XZHUWLLWYSMJQG-CQSZACIVSA-N 295.339 0.344 0 50 CCAA CN(CC(=O)N1CCCC1)C[C@H]1CCc2nccn2C1 328645103 RYOLNQGSRTZUQP-CYBMUJFWSA-N 276.384 1.000 0 50 CCAA C[C@H]1CN(C)CCCN1C(=O)c1cnc(N)s1 584886282 WFPYLVYRXSTJMU-QMMMGPOBSA-N 254.359 0.892 0 50 CCAA Cc1nnc(CCN=c2nc3c(c[nH]2)ncn3C)s1 2100537532 PKQBXPRCLMYJTL-UHFFFAOYSA-N 275.341 0.600 0 50 CCAA CC[C@@H]1CCN(C(=O)c2[nH]nnc2[C@H]2CCCN2)CCO1 2325774925 HEXHHCTWKLJTLY-GHMZBOCLSA-N 293.371 0.870 0 50 CCAA N=C(N)NC(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 2325840789 QFISIIZGUMHKMM-SNVBAGLBSA-N 284.323 0.517 0 50 CCAA CC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 245623695 CFUQTAAKCYZQAS-FVCCEPFGSA-N 266.341 0.824 0 50 CCAA CC[C@@H](C(=O)NCCN=c1nc[nH]n1C)c1ccccc1 2356146100 RNVFZCBGHSKZKP-CYBMUJFWSA-N 287.367 0.959 0 50 CCAA CCCCN1C(=O)N[C@](NC(C)=O)(C(F)(F)F)C1=O 4196027 WDVXIQFXIXGDMU-VIFPVBQESA-N 281.234 0.733 0 50 CCAA COc1ccc(C(=O)CCN[C@@H](CO)C(=O)O)cc1 4754603 YJNBSQQRRLTMJN-NSHDSACASA-N 267.281 0.303 0 50 CCAA O=C(O)c1nc2[nH]c(-c3ccccc3)cc(=O)n2n1 6315796 NRMOOPDXYOLKQV-UHFFFAOYSA-N 256.221 0.783 0 50 CCAA Cc1c[nH]cc1C(=O)N[C@H](CO)CN1CCCCC1 413802162 GSBPNDDWGYQQHH-LBPRGKRZSA-N 265.357 0.900 0 50 CCAA CCOc1cc(S(=O)(=O)NC[C@@H](C)O)ccc1F 54363600 PRCIFNAAJAGPOT-MRVPVSSYSA-N 277.317 0.884 0 50 CCAA NC(=O)c1ccc(-n2cnnc2)cc1N1CCCC1 65410121 PBNRLQFPWIBMKB-UHFFFAOYSA-N 257.297 0.966 0 50 CCAA CCCNC(=O)[C@H](C)N[C@H]1CCCCC[C@H]1C(N)=O 253369944 KITPZUVBQFIAHX-TUAOUCFPSA-N 269.389 0.925 0 50 CCAA CCCn1nnnc1CN(C)C[C@H]1CCc2nccn2C1 328625192 CXTXRUWFAXJHLM-GFCCVEGCSA-N 289.387 0.974 0 50 CCAA Cc1cnc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c(O)c1 331190076 JWOKILMEIRNXJZ-YYSFKGJASA-N 270.354 0.935 0 50 CCAA CC(C)COCCC(=O)N1CCC(O)(C(=O)O)CC1 331154874 VKNPPWPMFZDNTI-UHFFFAOYSA-N 273.329 0.487 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1ccon1 257366017 GESBMRIWCITUBS-PWSUYJOCSA-N 285.369 0.673 0 50 CCAA COCc1c(C(=O)N2CCC[C@](O)(CO)C2)noc1C 72144572 HEPNIERMPQATPL-CYBMUJFWSA-N 284.312 0.089 0 50 CCAA Cc1ccn(CC(=O)N(C)CC2(O)CCC2)c(=O)c1 331846877 HQAVAIIDLPYJGT-UHFFFAOYSA-N 264.325 0.530 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@](O)(CN(C)C)CC2)[nH]n1 72133074 ZCAIWVSMCDGQMR-AWEZNQCLSA-N 280.372 0.637 0 50 CCAA CCn1c(N)nc2cc(C(=O)N3CCC(N)CC3)cnc21 77354593 RQFODXGLOHPKAD-UHFFFAOYSA-N 288.355 0.597 0 50 CCAA Cc1cc(C(=O)NCCSc2nncn2C)cc(=O)[nH]1 215242983 DKSBGANLOBPJKU-UHFFFAOYSA-N 293.352 0.334 0 50 CCAA CC(C)c1cc(C(=O)NC(C)(CO)CO)n(C)n1 82087152 BLQLNENYQIHZOO-UHFFFAOYSA-N 255.318 0.017 0 50 CCAA COCCc1noc([C@@H](C)NC(=O)NC(C)(C)CO)n1 426574908 ZTLBNPIWFISVHM-MRVPVSSYSA-N 286.332 0.390 0 50 CCAA COCCc1noc(CNC(=O)[C@H](C)n2ccnc2C)n1 426404259 OXAFWORHUWLZKU-VIFPVBQESA-N 293.327 0.641 0 50 CCAA C[C@H]1CN(C(=O)[C@H]2CCCCO2)CCN1S(C)(=O)=O 180292257 IXAFORPPVOEMPR-WDEREUQCSA-N 290.385 0.048 0 50 CCAA C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@]1(C)O 91586511 BFBFDURNNOXDNB-SKDRFNHKSA-N 275.370 0.041 0 50 CCAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1C[C@H](O)CO1 91655946 IWRZDDBOTTZAKK-JTQLQIEISA-N 277.255 0.964 0 50 CCAA CN(C)[C@@H]1CCCN(CCn2cc[nH]c2=O)CC1 244840374 UMCSJJDSVXMFKI-GFCCVEGCSA-N 252.362 0.593 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1c1cc(=O)n2ccccc2n1 299740845 CEADKLMHEPZUQH-BDAKNGLRSA-N 276.271 0.097 0 50 CCAA C[C@H](NC(=O)Cn1ccc(=O)cc1)C1CCN(C)CC1 252499218 RXHBMMADWONJEG-LBPRGKRZSA-N 277.368 0.695 0 50 CCAA COCCN1CCC(C(=O)NCCc2ncc[nH]2)CC1 534657545 FNIDVQUMVIDGMQ-UHFFFAOYSA-N 280.372 0.427 0 50 CCAA CCc1nc(C)sc1C(=O)NCCn1cnnn1 299781380 SWQZPURKKOETJA-UHFFFAOYSA-N 266.330 0.430 0 50 CCAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CCn1nnnc1C 299791819 DCWNYENHUBLWLG-MRVPVSSYSA-N 291.359 0.599 0 50 CCAA CCc1c(C)nn(Cc2n[nH]c(CC(N)=O)n2)c1C 823488619 QVVDLJXOCUBEOG-UHFFFAOYSA-N 262.317 0.257 0 50 CCAA CN(C)CCCC[C@@H]1NC(=O)[C@H](C2CC2)NC1=O 823693075 SOSALRMWXUKXBF-QWRGUYRKSA-N 253.346 0.112 0 50 CCAA O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CNCCO1 584903745 GQQYWLDBARZZBJ-NSHDSACASA-N 287.323 0.076 0 50 CCAA CNC(=O)CCN(C)c1nc(N)cc(C(C)(C)C)n1 585139169 BSWHCZOGHJTUTA-UHFFFAOYSA-N 265.361 0.929 0 50 CCAA CN1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(=O)[nH]1 584889054 OMTDKMZOFILGPQ-ZDUSSCGKSA-N 298.346 0.556 0 50 CCAA CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 2464553 HTYUAPADZFGZPD-UHFFFAOYSA-N 254.311 0.722 0 50 CCAA C=CC(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1336706665 XZNIHUMZRIHDSH-UHFFFAOYSA-N 266.341 0.850 0 50 CCAA CCc1nccn1CCC(=O)N1C[C@@H](O)[C@H](F)C1 952976634 SEMHJOGIPJOBIB-NXEZZACHSA-N 255.293 0.377 0 50 CCAA COC(=O)[C@@H](C)NC(=O)Cn1ncc2ccccc21 163543904 LWFZAMZFRUURLO-SECBINFHSA-N 261.281 0.714 0 50 CCAA CS(=O)(=O)CC(=O)N1CCC[C@H]1C1CCOCC1 408128543 JWFAUEOUTLGKFY-NSHDSACASA-N 275.370 0.449 0 50 CCAA COc1ncnc(OC)c1C(=O)NC[C@H]1CCCCN1 408519251 GBAIKFLYXNXXNX-SECBINFHSA-N 280.328 0.366 0 50 CCAA COC(=O)[C@H](NCc1ccc2cn[nH]c2c1)[C@H](C)O 170608742 RYCGYSSWUQTJCG-QPUJVOFHSA-N 263.297 0.575 0 50 CCAA Cc1ccc(C(=O)N2CCN[C@H](C)C2)cc1S(N)(=O)=O 188464286 FDCJHDQVIJXPSL-SNVBAGLBSA-N 297.380 0.076 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CN1Cc1nc2c(F)cccc2[nH]1 188604668 BUGWQRSRCXVFGP-KWQFWETISA-N 293.298 0.810 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cccnc1OC 643943831 MYLWATJJBMWEAM-AWEZNQCLSA-N 293.323 0.197 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)NCC1=CCCCC1 644490562 NQDWKXRAZAKIBD-ZDUSSCGKSA-N 280.368 0.976 0 50 CCAA O=C(O)CCNC(=O)NCCO[C@H]1CC1(F)F 659404863 GNDXMJCRVOETMA-LURJTMIESA-N 252.217 0.185 0 50 CCAA CCC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1C(=O)O 1616104428 UOXGORKLAKQVFB-IUCAKERBSA-N 279.296 0.343 0 50 CCAA Cc1cccc(NC(=O)CC(=O)N2CC(C(=O)O)C2)c1 1506420386 BRNDVBBVWYYSFK-UHFFFAOYSA-N 276.292 0.867 0 50 CCAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)NCC(=O)O 1506415577 PLDBOZYMUZUCDX-SECBINFHSA-N 285.344 0.359 0 50 CCAA CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC[C@@H]1C(=O)O 214063128 SLRVVQIMKPOTNJ-KNVOCYPGSA-N 259.258 0.924 0 50 CCAA CC(C)(C)n1cnc(C(=O)N2C[C@@H](F)C[C@@H]2CO)n1 332654763 DPGPPIUXMIVXOU-DTWKUNHWSA-N 270.308 0.578 0 50 CCAA O=C(N1CCc2nc[nH]c2C12CCNCC2)C(F)(F)F 334163903 XBMSMEOOYCYCGA-UHFFFAOYSA-N 288.273 0.935 0 50 CCAA CCN(CC(=O)N1CC(F)(F)C[C@@H]1CO)C1CC1 364601183 OMWOTZYMWSXCHC-SNVBAGLBSA-N 262.300 0.699 0 50 CCAA CN1CCC2(CC1)CN(c1n[nH]c(=N)s1)CCCN2C 1857677497 FCANOZFFLFHBNV-UHFFFAOYSA-N 296.444 0.557 0 50 CCAA Cc1cccn2ncc(C(=O)N3C[C@@H](O)[C@H](F)C3)c12 1857704581 YHBVZMMIBRGQHQ-GHMZBOCLSA-N 263.272 0.798 0 50 CCAA C[C@@H]1CCCN(C(=O)CC2CCNCC2)[C@@H]1CN 156796738 SYUUABLQJRCFLI-DGCLKSJQSA-N 253.390 0.962 0 50 CCAA O=C(CCCc1cn[nH]c1)N1CCC([C@H](O)CO)CC1 1772815437 RIAVAJGYBADFEN-CYBMUJFWSA-N 281.356 0.324 0 50 CCAA Nc1cncc(N2CCC(O)(c3cccnc3)CC2)n1 1857680667 RUGSDAMZPZDBOT-UHFFFAOYSA-N 271.324 0.942 0 50 CCAA Cc1nn(C)c2c1[C@@H](NC(=O)CCn1cnnn1)CCC2 1857685969 BZUBEIJAZKQAST-JTQLQIEISA-N 289.343 0.299 0 50 CCAA COc1cccc(F)c1C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875250359 RRILYWOCUCJPEA-NRMKKVEVSA-N 297.282 0.091 0 50 CCAA C[C@@H]1CN(C(=O)c2nc3cnccc3s2)CC(=O)N1 615854017 HHICNDAKFRXINT-SSDOTTSWSA-N 276.321 0.652 0 50 CCAA O=C([C@@H]1OC[C@@H]2COCC[C@@H]21)N1CCOC[C@@]12CCOC2 329685709 BEDKLAAKONBZCN-XPCVCDNBSA-N 297.351 0.056 0 50 CCAA COCCOc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2)c1 237185534 NCETYZLCWMGOSS-TZMCWYRMSA-N 294.351 0.051 0 50 CCAA Cn1nnnc1NC(=O)[C@H]1COc2ccccc2C1 904204650 YCKISUCQBOZZOC-SECBINFHSA-N 259.269 0.400 0 50 CCAA CN1CCC2(CCCN2C(=O)[C@H](O)c2cnc[nH]2)CC1 867144624 KNEVKASTFRFMOS-GFCCVEGCSA-N 278.356 0.530 0 50 CCAA C[C@H](ONC(=O)[C@H]1COCCO1)c1ccncc1 1875298365 YGBINJAEMNZJJW-GXSJLCMTSA-N 252.270 0.606 0 50 CCAA Cc1noc(C[C@@]2(O)CCCN(C(=O)C3CC3)C2)n1 1875266312 QPPRQIQZFGKXSX-ZDUSSCGKSA-N 265.313 0.684 0 50 CCAA Cc1cccc(-n2nnc(C(=O)N3CCC(=O)N3)c2C)c1 1875286328 QIZCVJQXGTZLDD-UHFFFAOYSA-N 285.307 0.761 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CC[C@H]2COC)CC1 1875365086 SLWPALFQHQBSOR-LBPRGKRZSA-N 266.341 0.658 0 50 CCAA COc1ccc(NC(=O)[C@H](N)[C@H](C)O)cc1Cl 1875306912 GOELTFFRVMTBMH-QUBYGPBYSA-N 258.705 0.995 0 50 CCAA O=C1C[C@H](C(=O)NC2(c3ccccc3)COC2)CCN1 888566248 MSCBCTBVAWASLJ-LLVKDONJSA-N 274.320 0.555 0 50 CCAA O=C(c1cn2ccccc2n1)N1CCO[C@@H]2COCC[C@@H]21 888770072 QBPAZQPIERWAEN-QWHCGFSZSA-N 287.319 0.964 0 50 CCAA CN(Cc1ccc(CO)o1)[C@@H]1CCN(S(C)(=O)=O)C1 292879058 XKBNLDNEGXBNCQ-SNVBAGLBSA-N 288.369 0.238 0 50 CCAA CCOC[C@H](O)CNC(=O)c1cc(C)nc(C)n1 823315649 XXLZFVZMXNKYOQ-SNVBAGLBSA-N 253.302 0.221 0 50 CCAA CC(=O)Nc1cscc1C(=O)N[C@@H]1CCC(=O)NC1=O 2325903739 STNYZSXTFQACOL-MRVPVSSYSA-N 295.320 0.242 0 50 CCAA COCC[C@@H]1CNCCN1Cc1cc2n(n1)CCC2 903837146 DFKJIWLCPPELMA-CQSZACIVSA-N 264.373 0.640 0 50 CCAA O=S(=O)(NN1CCOCC1)c1ccc(Cl)cc1 474579 GWGKIRZQGGERHS-UHFFFAOYSA-N 276.745 0.866 0 50 CCAA CCn1nc(CC(N)=O)nc1-c1ccc2c(n1)N(C)CC2 2356133814 FYVJUSUFSJQIBI-UHFFFAOYSA-N 286.339 0.380 0 50 CCAA Cc1n[nH]cc1CNC(=O)c1cnn2cccnc12 343040129 NWOCCLPYFUMOHG-UHFFFAOYSA-N 256.269 0.691 0 50 CCAA O=C(NCc1ccccn1)c1cc2n(n1)CCNC2 67774799 SUFWLJSOMFVBDH-UHFFFAOYSA-N 257.297 0.311 0 50 CCAA O=C(NCCc1cnc[nH]1)c1ccc(-n2cnnn2)cc1 20427518 IVBPMOHFZAEFGH-UHFFFAOYSA-N 283.295 0.358 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)C1=NNC(=O)CC1 67724335 IJGHALMAJUWBGG-VIFPVBQESA-N 263.301 0.044 0 50 CCAA C[C@H](C(=O)N1CCNC(=O)c2ccccc21)S(C)(=O)=O 331502955 ZKJYTTHYUXCJIQ-SECBINFHSA-N 296.348 0.196 0 50 CCAA CC[C@H]1CN(C(=O)CSc2nncn2C)CCO1 68396195 FVUDENQNTYRJNZ-VIFPVBQESA-N 270.358 0.545 0 50 CCAA COC(=O)[C@@H]1CCc2nnc(-c3cnn(C)c3)n2CC1 601044139 OHWUJCQGPWFYTK-SECBINFHSA-N 275.312 0.804 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1C(=O)O 235374600 LGAQPTRECZLLPT-UTLUCORTSA-N 289.353 0.133 0 50 CCAA NC(=O)c1noc([C@@H]2CCCN2CCn2cccn2)n1 328636615 ODKTZJPPYYTLCY-VIFPVBQESA-N 276.300 0.202 0 50 CCAA CCN(C(=O)c1cccc(C)n1)[C@H]1COC[C@@H]1O 219271187 RRJYKTRYSLFGQF-RYUDHWBXSA-N 250.298 0.612 0 50 CCAA Cc1nnnn1CC(=O)N1CCC[C@H](C(F)(F)F)C1 131869390 HMTOYPMVPZHILZ-QMMMGPOBSA-N 277.250 0.782 0 50 CCAA CC(C)c1cc(C(=O)N2CCC(O)(C(=O)O)CC2)[nH]n1 71763120 BXJCIYWIYSJPAV-UHFFFAOYSA-N 281.312 0.585 0 50 CCAA CCC[C@@H](NC(N)=O)C(=O)N1CC[C@]2(CCN(C)C2)C1 366544705 NCIJOBBXHSDLQD-RISCZKNCSA-N 282.388 0.378 0 50 CCAA Cc1c(F)cccc1S(=O)(=O)N[C@H](C)C(=O)O 261759190 XNFZKVFAGIYLFG-SSDOTTSWSA-N 261.274 0.886 0 50 CCAA COc1ccc(C2(C(=O)NC[C@]3(O)CCNC3)CC2)cc1 72145272 NUSLDKZACZYZHB-HNNXBMFYSA-N 290.363 0.567 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)N1CC2(CCCOC2)C1 334924351 XMIWIJJQWCXNIW-NSHDSACASA-N 284.381 0.547 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)CN1CCOC1=O 219092219 PYUOCLULYVRBFL-JTQLQIEISA-N 266.301 0.230 0 50 CCAA CN(C)C[C@]1(O)CCCN(C(=O)CCCc2cn[nH]c2)C1 72121108 CJHFZASIJJXOLS-OAHLLOKOSA-N 294.399 0.648 0 50 CCAA CC(C)CN1CCN(C(=O)c2cnccn2)[C@H](C)C1=O 77288115 VBVGTEXSRGADNQ-LLVKDONJSA-N 276.340 0.806 0 50 CCAA CC(C)N1C[C@H](C(=O)NCCc2cccnc2)CC1=O 48448528 VGFBGJRWZNDNMN-CYBMUJFWSA-N 275.352 0.997 0 50 CCAA CC(C)n1ccnc1CN1C[C@H](F)C[C@H]1C(N)=O 284738914 IUMSPHKLKGDXRD-ZJUUUORDSA-N 254.309 0.862 0 50 CCAA Nc1[nH]nc(C(=O)NCC[C@H]2CCOC2)c1Cl 222246552 PROGWVKULDNDGH-LURJTMIESA-N 258.709 0.802 0 50 CCAA COC(=O)[C@@H]1CNCCCN1C(=O)OC(C)(C)C 44560035 GKLMJKMPXLLQQA-VIFPVBQESA-N 258.318 0.758 0 50 CCAA COCCc1nc(-c2cnc(C3CC3)nc2)n(CCO)n1 96133720 KFGQOSLNABJGBG-UHFFFAOYSA-N 289.339 0.794 0 50 CCAA C[C@@]1(O)CCN(C(=O)c2cnc3c(c2)CCC3)C[C@@H]1O 96133467 KYRXOACPGZDERW-DZGCQCFKSA-N 276.336 0.528 0 50 CCAA Cc1nn(C)c(C)c1[C@H](C(=O)O)N(C)CCN(C)C 95386248 CNEVZDIPDRWGLA-GFCCVEGCSA-N 268.361 0.656 0 50 CCAA COCC(=O)N1CC[C@H](Cc2ccc(=O)[nH]c2)C1 91754982 OBSACDSAHPAKRI-LLVKDONJSA-N 250.298 0.412 0 50 CCAA Cc1ccc(C)c2c(=O)cc(CNCC(N)=O)[nH]c12 91625497 KMQQPGOVMZLGLR-UHFFFAOYSA-N 259.309 0.720 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3C4C5[C@]6(C[C@@H]7C[C@H]7C[C@@]516)[C@@H]2[C@@H]43 248004410 BKAQNBNJLVGXDL-ZXNHXOMASA-N 283.331 0.366 0 50 CCAA C[C@@H]1CCCN1S(=O)(=O)NCc1nccs1 184904014 SKXWRZJVBPPSEB-MRVPVSSYSA-N 261.372 0.962 0 50 CCAA Cc1cccc(C[C@@H](C)NC(=O)CCNS(C)(=O)=O)n1 299785745 LYTRZHJEMPUVGN-LLVKDONJSA-N 299.396 0.377 0 50 CCAA CNC(=O)c1ccc(CNC(=O)[C@H]2CCOC2)o1 299759975 RZRAFBZYYXUHMG-QMMMGPOBSA-N 252.270 0.292 0 50 CCAA Cc1cccnc1C(=O)NC[C@@](C)(O)CCCO 584884344 YYBADNDMYGATAB-ZDUSSCGKSA-N 252.314 0.643 0 50 CCAA CO[C@@H]1CCOC[C@H]1n1cnc2ncccc2c1=O 584895132 IUPCQLZEDWMDKU-GHMZBOCLSA-N 261.281 0.768 0 50 CCAA O=C(CCn1cncn1)N1CCC(Cn2ccnc2)CC1 584889160 XFQNEOFFHPMZQQ-UHFFFAOYSA-N 288.355 0.804 0 50 CCAA CNC(=O)COc1cc2cc(N)ccc2n(C)c1=O 1525633398 TYKIXFBEVPTUMM-UHFFFAOYSA-N 261.281 0.246 0 50 CCAA O=C(CN1CCCCCC1)N[C@@H]1COC2(CCNCC2)C1 952970135 SZAIYHUHPANMJQ-AWEZNQCLSA-N 295.427 0.890 0 50 CCAA CNS(=O)(=O)CCNC(=O)c1c(C)cccc1OC 952966392 JIBRRSDWFBDBFZ-UHFFFAOYSA-N 286.353 0.283 0 50 CCAA C[C@@H]1CC[C@@H](C(=O)N2CC[C@H](S(C)(=O)=O)C2)O1 407962605 DMCCBLCBXXCIIS-UTLUCORTSA-N 261.343 0.199 0 50 CCAA Cc1c(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cnn1C 408496340 HNGANZPEAOAAFO-AXFHLTTASA-N 297.380 0.970 0 50 CCAA O=C1[C@@H](O)CCCCN1Cc1nc(-c2ncccn2)no1 643838731 GSJRBTRZFSHZRA-VIFPVBQESA-N 289.295 0.400 0 50 CCAA Cn1ncc(Cl)c1CN1CC[C@@](O)(Cn2ccnn2)C1 671492468 GKPSLNLHBNXGFC-LBPRGKRZSA-N 296.762 0.302 0 50 CCAA Cc1nonc1C(=O)N[C@H]1CCO[C@@H]1c1nccn1C 583620000 HQBWAZRMORJDIF-WPRPVWTQSA-N 277.284 0.372 0 50 CCAA Cc1cccn2c(=O)c(C(=O)NCc3cocn3)cnc12 678618522 BTUURZZUEWQEJB-UHFFFAOYSA-N 284.275 0.921 0 50 CCAA COc1cccc([C@H](O)C(=O)N2CCn3cnnc3C2)c1 765004589 ZYCHNHGDFDDOGO-ZDUSSCGKSA-N 288.307 0.363 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)c1ccc3c(n1)CNCC3)C2 1615547906 VXLRANZZAFFKKP-NHYWBVRUSA-N 272.352 0.291 0 50 CCAA CCOCCC(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529099324 VMIXSOJXDHKDSU-TZMCWYRMSA-N 278.352 0.870 0 50 CCAA COc1ccnc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)n1 1704342618 ANQOALQDTAJIOJ-IUODEOHRSA-N 292.383 0.768 0 50 CCAA CO[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 246053696 WOVGTUPAPNSHFV-WDEREUQCSA-N 263.359 0.464 0 50 CCAA O=C1CCCN1CCCNC(=S)NC[C@H]1CCCO1 5060554 JNLFWBSIAHWGBI-LLVKDONJSA-N 285.413 0.642 0 50 CCAA COC(=O)c1ccc(OC[C@H](O)CN2CCOCC2)cc1 19882279 DXTSLKZHVJRFQQ-CYBMUJFWSA-N 295.335 0.545 0 50 CCAA COc1cccc(C[C@H]2NC(=O)[C@H](CSC)NC2=O)c1 1857532766 RVUYZAJXXXOYKD-NEPJUHHUSA-N 294.376 0.584 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)CC1CC(F)(F)C1 643937973 DLQGILWUWRWHOP-LBPRGKRZSA-N 290.310 0.915 0 50 CCAA Cc1nonc1CN[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 818415029 FKQBLBQLFZLEQU-WZRBSPASSA-N 266.345 0.455 0 50 CCAA Cn1nncc1NC(=O)NCc1cc(C2CC2)n(C)n1 931276958 MKOGMIKQQSSOMX-UHFFFAOYSA-N 275.316 0.748 0 50 CCAA Cc1ccnc(CN[C@H]2C(=O)NCC23CCOCC3)c1 933035344 OPXIGGNPLWVDOD-ZDUSSCGKSA-N 275.352 0.775 0 50 CCAA COCCN1CCC(=O)N[C@H](CCc2ccccc2)C1=O 1875290208 GONOSCCHMSSNMR-CQSZACIVSA-N 290.363 0.983 0 50 CCAA CC[C@H]1CC[C@H](C(=O)N2CCS(=O)(=O)CCO2)O1 1875276426 GQDNKRWDCMDYPP-VHSXEESVSA-N 277.342 0.133 0 50 CCAA O=C(N[C@@]12CCC[C@@H]1NCC2)C1=C2CCN=C2NC=C1 1775599689 CALHWWHNMNBTOR-SWLSCSKDSA-N 272.352 0.603 0 50 CCAA O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)c1cc[nH]n1 1775960874 PJFDBEWDVHFYBU-UWVGGRQHSA-N 274.246 0.682 0 50 CCAA COc1cccc(CN2CCC[C@](O)(C(N)=O)C2)c1 284882888 QQZIRPKPNPCCLU-CQSZACIVSA-N 264.325 0.507 0 50 CCAA Cc1nnc(CN2CCC(NS(C)(=O)=O)CC2)s1 299769669 OZZVSIGKYZPJAK-UHFFFAOYSA-N 290.414 0.360 0 50 CCAA CC1(C)[C@H]2C[C@H](C(=O)NS(=O)(=O)c3cnccn3)C[C@H]21 2325773635 DXXFLZKQWZGOLX-OWUUHHOZSA-N 295.364 0.964 0 50 CCAA CCc1nn(C)c(Cl)c1C(=O)N1[C@H]2CC[C@H]1C(=O)NC2 2325790181 WKSUZLUYXXHIIN-CBAPKCEASA-N 296.758 0.739 0 50 CCAA CSc1nc(C)cc(-n2cc(F)c(=O)[nH]c2=O)n1 118975 LCBRQPNJCIVZQG-UHFFFAOYSA-N 268.273 0.485 0 50 CCAA C[C@H](O)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 236723 YHRUVVJCYRHQGX-LURJTMIESA-N 263.702 0.526 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@]12CCCNC2=O 2356143913 CIPSLFVBGSCWCJ-HNNXBMFYSA-N 288.351 0.783 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)NCCc2ccncc2)C1 2356145544 PMIYSBIUKOXRIZ-CHWSQXEVSA-N 263.341 0.053 0 50 CCAA COCCOCC(=O)NCc1c(C)cc(C)nc1OC 67193009 PGRCMFUJSAODSO-UHFFFAOYSA-N 282.340 0.986 0 50 CCAA C[C@H]1[C@@H](C)N(C(=O)c2cc(C(=O)O)nn2C)CC[S@]1=O 600867108 RJXIFUIPGGGCBY-SMPFOWEGSA-N 299.352 0.100 0 50 CCAA CC(C)(C)c1ncc2c(n1)CN(C(=O)[C@H]1CCC(=O)N1)C2 67920789 JGJODIWHLCATBZ-SNVBAGLBSA-N 288.351 0.895 0 50 CCAA O=C([C@@H]1[C@@H]2CCCO[C@H]21)N1CCC(c2nnc(O)o2)CC1 425329042 YSBCJCILMRTVAC-HBNTYKKESA-N 293.323 0.906 0 50 CCAA CN(C)[C@@H]1CCCN(CC(=O)Nc2cnn(C)c2)CC1 72156205 ZCHFGVSRRSVISI-CYBMUJFWSA-N 279.388 0.775 0 50 CCAA CN1C[C@@]2(CCN(C(=O)c3cc(C4CC4)n[nH]3)C2)OC1=O 72133351 LVCATABFRBMDEI-CQSZACIVSA-N 290.323 0.954 0 50 CCAA CNCCN(C)C(=O)c1cc(C(C)C)nc(N)n1 219246944 DSGDDWQTFXZQJR-UHFFFAOYSA-N 251.334 0.474 0 50 CCAA Cc1cc(NC(=O)N(C)CCN2CCOCC2)n(C)n1 330465530 QEUXRSURBWDFQO-UHFFFAOYSA-N 281.360 0.524 0 50 CCAA Cn1ncc2c(N)nc(N3CCO[C@@H](C4CC4)C3)nc21 364980484 UIUROFPWDFAONM-SNVBAGLBSA-N 274.328 0.561 0 50 CCAA Cc1nonc1OCCNC(=O)c1cccn1C 219418317 GBFHMYNFKHQQPZ-UHFFFAOYSA-N 250.258 0.525 0 50 CCAA O=C([C@H](O)C1CCC1)N1CCC[C@H](CN2CCOCC2)C1 333123352 VKQRQIRSAAFELQ-UKRRQHHQSA-N 296.411 0.718 0 50 CCAA CN(C)c1cccc(S(=O)(=O)N2C[C@H]3CC[C@H]2CN3)c1 333248330 GDTCOPJPNPJOGQ-YPMHNXCESA-N 295.408 0.878 0 50 CCAA CN(Cc1ccccc1N1CCOCC1)C(=O)CN 237164040 FBTKZLSXWRAFKM-UHFFFAOYSA-N 263.341 0.440 0 50 CCAA Cn1cccc(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)c1=O 262317693 ZWPAIPWOAWTTBS-LSDHHAIUSA-N 297.358 0.952 0 50 CCAA NC(=O)[C@]1(O)CCCN(C(=O)CCc2ccc(F)cc2)C1 285432012 IJHFMRSITVGHSH-HNNXBMFYSA-N 294.326 0.597 0 50 CCAA COc1cc(C(=O)N2CC(N3CCOCC3)C2)ccc1F 223770786 SYXJTZDECDFDEF-UHFFFAOYSA-N 294.326 0.991 0 50 CCAA O=C1CCCN1CCCNc1cc([C@@H]2CCOC2)ncn1 426538031 CDOVDGFQOYHGQP-GFCCVEGCSA-N 290.367 1.405 0 50 CCAA O=C(O)CCNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 178213095 TZPBWSMHSVHBGT-PHDIDXHHSA-N 282.218 0.034 0 50 CCAA Cc1cc(NC(=O)NCC(=O)N2CCOCC2)ccn1 180609405 WRTQXLKPTPJIRD-UHFFFAOYSA-N 278.312 0.370 0 50 CCAA CC[C@H](OC)c1nc(CCOC)nn1CC(=O)O 97213012 YUMCKVOEQRIEMR-QMMMGPOBSA-N 257.290 0.649 0 50 CCAA Cc1c[nH]c(CN2CC[C@@H](N3CCN(C)CC3)C2)n1 97137033 AQWFLKKXZBDAFY-CYBMUJFWSA-N 263.389 0.540 0 50 CCAA Cc1c(CNC(=O)NCC2CCOCC2)cnn1C 179189700 UVPAIPOFERJKCY-UHFFFAOYSA-N 266.345 0.954 0 50 CCAA COCCc1nc(Cn2cnnc2)n(CC(F)(F)F)n1 96166712 VVHILAFRAGLECM-UHFFFAOYSA-N 290.249 0.669 0 50 CCAA CN1CCN(c2cc(C(=O)N3CC[C@@H](N)C3)ccn2)CC1 237236773 SZODXXYYPRWHLF-CYBMUJFWSA-N 289.383 0.007 0 50 CCAA CC(C)(C)N1C[C@H](C(=O)NCCc2cnccn2)CC1=O 91707764 DVKLIIPXUNFPFN-LLVKDONJSA-N 290.367 0.782 0 50 CCAA CCC[C@@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@H]1C(=O)O 91726141 XOSMKUOYJUDUES-MWLCHTKSSA-N 278.308 0.948 0 50 CCAA NC1(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)CC1 91657340 RQNSMQIDJCUAJO-NWDGAFQWSA-N 292.310 0.944 0 50 CCAA O=C1N[C@H](C(=O)NCCc2c[nH]cn2)Cc2ccccc21 97730101 DYUGCORJZOXTNL-ZDUSSCGKSA-N 284.319 0.423 0 50 CCAA CN(Cc1nc2ccc(F)cc2[nH]1)C[C@H](O)CO 97468298 SSFFAVWLOLEYNY-VIFPVBQESA-N 253.277 0.487 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1CCOCC(F)(F)F 299741123 CWLYSEXDYKRMHX-RQJHMYQMSA-N 258.215 0.463 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C1 299738587 CMVRSGPUYMJGGH-LOWDOPEQSA-N 268.357 0.520 0 50 CCAA C[C@H]1CCCN(C(=O)c2cccn(C)c2=O)[C@@H]1CN 299740422 ZQANFYLYJILWLC-CMPLNLGQSA-N 263.341 0.585 0 50 CCAA COCCN1C[C@@H](Cc2nccc(N(C)C)n2)CC1=O 244840200 UIKZMHHGGJUCCI-NSHDSACASA-N 278.356 0.580 0 50 CCAA CC(C)OC(=O)C[C@H]1CCCN(S(C)(=O)=O)C1 184041350 ZEFASWPURRTBIC-SNVBAGLBSA-N 263.359 1.000 0 50 CCAA Fc1ccc(OCCN2C[C@@H]3NCCO[C@H]3C2)cc1 534578274 BBARKBBOLVTBRG-KBPBESRZSA-N 266.316 0.877 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](O)[C@@H](O)C[C@H]2C1 261361182 YCYQIUUXRYFEQD-DTIDVZRVSA-N 257.330 0.985 0 50 CCAA CC(C)(C)c1noc(CNC(=O)C[C@@H]2CCNC2)n1 299794967 KBYZNZGYZNMVTH-VIFPVBQESA-N 266.345 0.983 0 50 CCAA CN1CCN(C(=O)c2noc3c2CCCC3)C[C@H]1CO 585134062 CEOZONPCQXHGGT-JTQLQIEISA-N 279.340 0.302 0 50 CCAA COCCOC1CCN([C@H]2CCNC(=O)CC2)CC1 670447788 BJXAYMYHIFQFAV-GFCCVEGCSA-N 270.373 0.783 0 50 CCAA CC(C)CN1CC[C@@H](CN(C)c2cncc(C(N)=O)n2)C1 670437755 PGTPKYYMJREMMY-LBPRGKRZSA-N 291.399 0.990 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)Cn1ccccc1=O 670451344 FAFWBMZJOYICGW-UHFFFAOYSA-N 286.335 0.202 0 50 CCAA CS(=O)(=O)Nc1ccc([C@@H]2CC[C@@H](N)CN2)cc1 757211915 KXBQXMYIHZQKFL-PWSUYJOCSA-N 269.370 0.810 0 50 CCAA NC(=O)N1CCC[C@H](C(=O)NCCCn2cccc2)C1 952980871 YQCSRUIURXRMRE-LBPRGKRZSA-N 278.356 0.785 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)c1C 1565516938 ZPXQZVDKGGOFFH-AAEUAGOBSA-N 290.367 0.895 0 50 CCAA CCN1C[C@H](C(=O)N[C@@]2(C)CCO[C@@H]2C)CC1=O 408181935 GPPLISAKEWPCKR-BREBYQMCSA-N 254.330 0.539 0 50 CCAA CCc1nc(C)cc(N2CCC[C@](O)(c3cnn[nH]3)C2)n1 583616875 POUHBHNTNYWWEA-CQSZACIVSA-N 288.355 0.954 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)NCC(F)(F)F 644291709 RUAHXBQEXCMQAI-SSDOTTSWSA-N 268.235 0.038 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)NCc1ccoc1 644326082 HCFZJEFNFRFXMR-NSHDSACASA-N 266.297 0.269 0 50 CCAA O=C(NCCc1ccns1)N1CC2CC1(C(=O)O)C2 709935965 YMKGARIJLRCKDR-UHFFFAOYSA-N 281.337 0.944 0 50 CCAA C[C@@](N)(C(=O)NCC[C@@H]1CCNC1)c1ccccc1 195232213 GLEVBQAHLJRXKB-WFASDCNBSA-N 261.369 0.976 0 50 CCAA CCN(CC)S(=O)(=O)NCc1c(C)n[nH]c1C 718308804 CGEZUGSQOGRFOA-UHFFFAOYSA-N 260.363 0.703 0 50 CCAA CC(C)(C)N1CC[C@H](NS(=O)(=O)c2cn[nH]c2)C1 693882686 LIWVNAADEOKMJZ-VIFPVBQESA-N 272.374 0.561 0 50 CCAA Cc1ccc([C@H](O)CN2CC[C@@H](S(N)(=O)=O)C2)cc1 772220471 BATKRZLBGFTBGG-CHWSQXEVSA-N 284.381 0.391 0 50 CCAA O=C1CC[C@H](C(=O)NCc2cccn3nccc23)N1 1772813714 PWHULDDLWHIXBV-SNVBAGLBSA-N 258.281 0.229 0 50 CCAA CCC[C@H](CC(=O)O)NC(=O)c1cccc(=O)[nH]1 220239294 VGIIICKPLBUQRT-MRVPVSSYSA-N 252.270 0.748 0 50 CCAA CN1C[C@@]2(CCCN(c3cncc(N)n3)C2)OC1=O 1857678579 ODZXJUCRNQUZQL-GFCCVEGCSA-N 263.301 0.480 0 50 CCAA CNC(=O)c1c[nH][nH]c1=NC(=O)c1oc(C)nc1C 1875250441 ZCCJTJMBVOIXEJ-UHFFFAOYSA-N 263.257 0.048 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CC[C@H]1C(=O)O 526944193 COXMVTWJYMKWBY-GMTAPVOTSA-N 290.385 0.758 0 50 CCAA C[C@@H](CC(=O)N=c1ccn(CC(=O)O)[nH]1)C(F)(F)F 630134523 CJDZDRNOSALBOG-LURJTMIESA-N 279.218 0.917 0 50 CCAA Cn1ncc(CCC(=O)N(CC(C)(C)O)C2CC2)n1 857489680 GDVHSZOMIFTWHG-UHFFFAOYSA-N 266.345 0.510 0 50 CCAA Cc1nnnn1CCC(=O)N[C@H]1CCCCCC[C@@H]1O 1857678112 SOPXLIDPHJOEOO-RYUDHWBXSA-N 281.360 0.572 0 50 CCAA CCOc1ccnc(N2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)n1 1857731481 RQRGBEQGUHNHNS-QWRGUYRKSA-N 292.339 0.311 0 50 CCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1c[nH]c2ccccc12 1875245186 OBZRJCONNIOWMY-AAVRWANBSA-N 288.303 0.425 0 50 CCAA C[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1N 333304540 QPQAPMJAMHTETN-BXKDBHETSA-N 258.325 0.911 0 50 CCAA O=c1c2ccccc2ncn1C[C@@]1(O)CCCOC1 656693781 IPZHKZJSDHNCOH-AWEZNQCLSA-N 260.293 0.938 0 50 CCAA NC1CCN(C[C@H](O)COc2ccccc2)CC1 864096851 KCYFPFUKZMRSBP-ZDUSSCGKSA-N 250.342 0.849 0 50 CCAA CON1CCC(CC(=O)N2CC[C@@H](C)S2(=O)=O)CC1 1875313663 WERRHSQMQRNCJI-SNVBAGLBSA-N 290.385 0.601 0 50 CCAA Cn1cc(CNC(=O)NC[C@H]2CCCC(C)(C)O2)nn1 894121163 XKYJQXVKSGOFKT-LLVKDONJSA-N 281.360 0.962 0 50 CCAA O=C(N[C@@H]1CCNC12CCC2)c1ccc2c(n1)CNCC2 1775961281 MUUJEFPXAAANCW-CQSZACIVSA-N 286.379 0.742 0 50 CCAA CN1CCC2(CC1)CN(C(=O)c1ncc[nH]1)CCN2C 67805412 SIGUGYNUMIIOOV-UHFFFAOYSA-N 277.372 0.262 0 50 CCAA C[C@@H]1CN(CCc2cnccn2)C[C@@H]1N1CCOCC1 639513131 DOMYBQNDLXSVCU-HIFRSBDPSA-N 276.384 0.672 0 50 CCAA OCCOCCNc1ccnc(C(F)(F)F)n1 91486857 OYSKELGZDJNDLX-UHFFFAOYSA-N 251.208 0.916 0 50 CCAA Cc1cc(O)c(COC(=O)[C@@H]2CCCc3ncnn32)nn1 2325863005 QEJSUDZNZRLYHI-JTQLQIEISA-N 289.295 0.703 0 50 CCAA C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)OCc1ccccc1 139204 GXXVZDDKXXFASS-MRVPVSSYSA-N 290.279 0.002 0 50 CCAA COc1cc(OC)c(C(=O)Nn2cnnc2)cc1OC 496876 XOOBCVNCRIOUEC-UHFFFAOYSA-N 278.268 0.688 0 50 CCAA Cc1cc(C(=O)N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)no1 2356146298 ZVHIRKGMTPTMGB-RYUDHWBXSA-N 296.323 0.100 0 50 CCAA O=C(NC[C@@H](O)c1cccc(O)n1)c1cccc2nn[nH]c12 2356146544 KOZCBKHUEFGUFE-LLVKDONJSA-N 299.290 0.522 0 50 CCAA O=C(COc1ccc2c(c1)CCC2)NN1CCOCC1 4749435 ZKOIGADCWQCNFG-UHFFFAOYSA-N 276.336 0.918 0 50 CCAA CC(C)c1nnc(CNC(=O)[C@@](C)(O)C2CC2)n1C 342585646 MFFHGGPIUIPBEZ-ZDUSSCGKSA-N 266.345 0.716 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)COCC(F)(F)F)N(C)C1 346700142 GCDFWDMIOCOTFI-UWVGGRQHSA-N 298.305 0.743 0 50 CCAA CCN1C[C@H](NC(=O)N(C)CC2(O)CCC2)CC1=O 331586086 MFIWKKHKHPFHGI-SNVBAGLBSA-N 269.345 0.164 0 50 CCAA CC[C@H](C)[C@@H](O)CNC(=O)c1cc(C(=O)OC)on1 252484102 FOVIFQBJCYPTOM-CBAPKCEASA-N 270.285 0.598 0 50 CCAA Cc1noc(C)c1C(=O)NCCc1nc(N)cc(O)n1 218828407 BCDKRMRKXMVNCF-UHFFFAOYSA-N 277.284 0.342 0 50 CCAA Cc1onc(N)c1S(=O)(=O)N(C)Cc1cnn(C)c1 281205604 PRSAEAJTJOYPAO-UHFFFAOYSA-N 285.329 0.119 0 50 CCAA NC(=O)C1(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 71748981 AGYLAWZVQDMDFK-GFCCVEGCSA-N 292.310 0.991 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1c(C)cc(C)[nH]c1=O 219304184 GPNPIMARAOUSRD-RYUDHWBXSA-N 293.367 0.441 0 50 CCAA C[C@H](O)CNS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 123157478 ISQDTIXEIQIODK-GUBZILKMSA-N 250.364 0.180 0 50 CCAA CN(CCCNC[C@]1(O)CNCCOC1)c1ccccc1 77408000 BDWAUCQVHIYYMM-INIZCTEOSA-N 293.411 0.453 0 50 CCAA NC(=O)C[C@H]1COCCN1C(=O)CSc1ccncc1 72418640 HQJVVQMJFZDKBS-JTQLQIEISA-N 295.364 0.277 0 50 CCAA CN(CC(=O)O)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 153183117 ZHSBAFHKWIMPBH-CYBMUJFWSA-N 292.335 0.430 0 50 CCAA O=C1CSCN1CC(=O)N1CCOC[C@@H]1C1CC1 128626443 JAYXGCFDDNKUIA-SNVBAGLBSA-N 270.354 0.157 0 50 CCAA CC(C)OC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 372173303 PNJHRLLIPSEUSF-LLVKDONJSA-N 253.302 0.676 0 50 CCAA Cc1cnccc1CC(=O)NC[C@H]1CN(C2CC2)CCO1 373566244 CDZLNKOYLIHMBT-HNNXBMFYSA-N 289.379 0.912 0 50 CCAA Cc1nc2ncnn2c2ccn(-c3ccc[nH]c3=O)c(=O)c12 72404108 YTGQUAOFRAOKRQ-UHFFFAOYSA-N 294.274 0.425 0 50 CCAA O=C(c1n[nH]c2c1CCCC2)N1CCN2CCOC[C@@H]2C1 374959538 DNZFTTIFONSGHA-NSHDSACASA-N 290.367 0.445 0 50 CCAA C[C@@H](C(=O)NCCCOc1cccnc1)N(C)C 426395132 GCWCATICONWUEC-NSHDSACASA-N 251.330 0.917 0 50 CCAA O=C(O)[C@H]1CN(C(=O)Cc2c[nH]c3ncccc23)CCO1 178280138 ARTYTIYBJXJFMS-LLVKDONJSA-N 289.291 0.417 0 50 CCAA CCCC(=O)N1CCC(C(=O)N2CCOCC2)CC1 40456046 LBTIGGQKVCOXBO-UHFFFAOYSA-N 268.357 0.884 0 50 CCAA COc1ccnc(C(=O)NC[C@H]2CN(C(C)=O)CCO2)c1 426590028 SIEKFBQPUKTAFP-LBPRGKRZSA-N 293.323 0.067 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)CC[C@H]1CCCCN1C 426562825 FIJACJBXLLFTDR-CYBMUJFWSA-N 299.415 0.726 0 50 CCAA Cc1ccc(C(=O)N[C@@H]2CCOC2)cc1S(C)(=O)=O 179047121 HNKBTJQMRZEQNR-LLVKDONJSA-N 283.349 0.917 0 50 CCAA O=C(O)CCN1CCN(C(=O)c2ccc(O)cc2F)CC1 232378921 UAARKNAYDHMOQS-UHFFFAOYSA-N 296.298 0.764 0 50 CCAA O=C1C[C@@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)CCN1 238024294 IIJNSBXXIUBFEA-CMPLNLGQSA-N 276.292 0.455 0 50 CCAA COCCc1noc([C@@H]2CCCN2CCn2cncn2)n1 244594294 DKFRIEBDCGIQTC-NSHDSACASA-N 292.343 0.687 0 50 CCAA COC[C@@H](O)CN1CCCN(c2ccccn2)CC1 183823476 LVXJAMUKQSQMGI-ZDUSSCGKSA-N 265.357 0.601 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)CCO1 299743562 LJERFJQCMBQKRF-OUAUKWLOSA-N 253.298 0.735 0 50 CCAA CCCc1cnc(C)nc1N1C[C@@H]2NCCO[C@H]2C1 534650451 WFGWRIAIMHNFRS-STQMWFEESA-N 262.357 0.915 0 50 CCAA CC(C)Cc1nc(CN(C)C(=O)[C@@H]2C=CCN2)no1 534666912 MQFVGVHQOCGSSU-JTQLQIEISA-N 264.329 0.755 0 50 CCAA COCC1(C(=O)NCCCN2CCCC[C@H]2CO)CC1 824347345 WUDJRVSOKYCIDR-ZDUSSCGKSA-N 284.400 0.766 0 50 CCAA CSCCC(=O)N1CCC2(CC1)C(=O)NCCCN2C 670439708 XVLAAJKZMCLQAL-UHFFFAOYSA-N 299.440 0.552 0 50 CCAA Cc1nccnc1CCNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1553490409 XDTRPGFGLRLWHI-FZMZJTMJSA-N 275.356 0.460 0 50 CCAA CC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)c2)CCO1 268681206 MJGRYHOJBQPGGE-GFCCVEGCSA-N 265.313 0.002 0 50 CCAA N[C@@H]1CC[C@@H](C(=O)N2CCNC(=O)[C@H]2c2ccccc2)C1 269211978 CWFMOGFLJZHYAK-MGPQQGTHSA-N 287.363 0.814 0 50 CCAA C[C@H]1[C@H](C(=O)NCCN2CCCS2(=O)=O)C1(F)F 408231007 KCJCQMABWRCDBV-JGVFFNPUSA-N 282.312 0.039 0 50 CCAA CCn1cc(N(CCN2C(=O)CNC2=O)CC(C)C)cn1 408524622 WMJIKKWAWZAERN-UHFFFAOYSA-N 293.371 0.917 0 50 CCAA Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)nc1Cl 170684825 KKHORIGWHQUWRL-JGVFFNPUSA-N 292.792 0.479 0 50 CCAA C[C@H]1Cc2cc(S(=O)(=O)NCCN)cc(Cl)c2O1 170050987 IKSQVLMRLIJBGA-ZETCQYMHSA-N 290.772 0.900 0 50 CCAA C[C@H]1OCCN(Cc2cnoc2C2CC2)[C@@H]1C(N)=O 583619957 QTWBJPZCJHOFRZ-KCJUWKMLSA-N 265.313 0.627 0 50 CCAA Cc1cc(CN(C)C(=O)c2ccc3c(c2)COB3O)no1 584930760 CTBJBYOCRVOWSY-UHFFFAOYSA-N 286.096 0.473 0 50 CCAA CCc1cc(C(=O)N2CCC[C@@]2(COC)C(=O)NC)n[nH]1 644060174 NKINDZQHMFHABB-CQSZACIVSA-N 294.355 0.339 0 50 CCAA CCOc1ccc(N2CCN([C@@H](C)C(=O)O)CC2)nn1 662231819 SZCBVLZQRWNUMB-JTQLQIEISA-N 280.328 0.470 0 50 CCAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1506409649 JBBGHUABZZOWGU-SNVBAGLBSA-N 269.345 0.509 0 50 CCAA COCCN1CC[C@@H](CNc2nc(C)cc(C(=O)O)n2)C1 1506398214 NCAKBGQRICLGNO-NSHDSACASA-N 294.355 0.863 0 50 CCAA CC[C@H]1CN(C(=O)NCCC(=O)O)CCN1C(C)C 1506400250 VMNHHDMYXXAQCL-NSHDSACASA-N 271.361 0.975 0 50 CCAA C[C@H](CN(C)CCO)NCCc1ccc(O)cc1 1506428662 YAMOIGFAYGUIFG-GFCCVEGCSA-N 252.358 0.837 0 50 CCAA O[C@@H]1CN(Cc2cccnc2)C[C@H]1Cc1cnccn1 1529197164 LEJJNURGROHFGI-UKRRQHHQSA-N 270.336 0.907 0 50 CCAA CN(C)CCc1nnc(NC(=O)CN2CCOC2=O)s1 1529127072 ZTTVBRYJLCSERH-UHFFFAOYSA-N 299.356 0.033 0 50 CCAA Cc1noc(C)c1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1875247653 ZNMKBOZEFKLMFD-RYUDHWBXSA-N 279.340 0.694 0 50 CCAA CC(C)(C)n1cc(CN2CCN(CC(=O)O)CC2)cn1 116399073 LEJHNBYKXXNZGI-UHFFFAOYSA-N 280.372 0.840 0 50 CCAA Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3885372 HJHVNNNCRKMFLQ-UHFFFAOYSA-N 276.745 0.943 0 50 CCAA in-vitro C[C@@H]1CN(Cc2nnn(C)n2)CCN(C2CCC2)C1 572674165 XAXNRTZUEOPDJC-LLVKDONJSA-N 264.377 0.516 0 50 CCAA CC[C@@H](C(N)=O)N(c1ccc(F)cc1)S(C)(=O)=O 13715057 PICVHRLKALSMFW-JTQLQIEISA-N 274.317 0.856 0 50 CCAA CCOC(=O)C1CCN(c2nc(N)cc(=O)[nH]2)CC1 19820072 FJMNQPNVUFCYDK-UHFFFAOYSA-N 266.301 0.132 0 50 CCAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)COCC2CC2)C1 572743251 PIDSKGDUGBIOGM-MNOVXSKESA-N 280.328 0.520 0 50 CCAA C[C@@H]1CNC[C@H]1Cc1nc(Cc2cncn2C)no1 904649163 OSOKPPMGQHHAPZ-NXEZZACHSA-N 261.329 0.792 0 50 CCAA CCn1cc(O[C@@H]2COC[C@@H]2NCc2nccn2C)cn1 818230389 HIDVMJFACGZGNO-QWHCGFSZSA-N 291.355 0.573 0 50 CCAA CCN(C(=O)c1cc(C2CC2)nn1C)[C@@H]1CCNC1=O 935823006 OJBBYWXYCCXWBP-LLVKDONJSA-N 276.340 0.648 0 50 CCAA CC(C)(C)OC(=O)NCc1nnc2n1CCNC2 1857783165 VYZVMUIITVLRGU-UHFFFAOYSA-N 253.306 0.406 0 50 CCAA O=C(NCCC(=O)N1CCOCC1)c1ccccc1 10463299 RHPVJVSAJSGLIW-UHFFFAOYSA-N 262.309 0.665 0 50 CCAA CNC1(CNc2nccn3nnnc23)CCCCC1 872629775 QMFOLOYZBXUMIB-UHFFFAOYSA-N 261.333 0.854 0 50 CCAA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)c1ncccn1 952889973 JWHRWQLIHRJMGF-NXEZZACHSA-N 260.301 0.604 0 50 CCAA Cc1cc(=N[C@@H]2C[C@@H](C(=O)O)C[C@@H]2n2ccnn2)cc[nH]1 952851502 MANMQQKGIFEYGV-RTXFEEFZSA-N 287.323 0.920 0 50 CCAA Cc1cnc(NC(=O)C(=O)N2C[C@@H]3C[C@@H](CO)C[C@@H]32)s1 1875276119 RIQAMNRCGNUDPZ-UTLUCORTSA-N 295.364 0.619 0 50 CCAA Oc1cc(N2CCN(c3ccncn3)CC2)ccn1 1875288333 XJTRLJMHBNBHGE-UHFFFAOYSA-N 257.297 0.904 0 50 CCAA NO[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1CN2 1875287727 XNURLFWYFSIYON-AVGNSLFASA-N 261.325 0.061 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCCC[C@@H]2C(C)=O)C1 1875387607 PNHWZEIGMTUWFZ-GFCCVEGCSA-N 264.325 0.601 0 50 CCAA O=C(N[C@@]1(CO)CC2CCC1CC2)c1cnncc1O 1875396711 RTMRZRHPSXZLPX-RPFQZYLTSA-N 277.324 0.853 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)c1cnn(C2CCC2)c1 1875332819 MITAOFYFZBVZAU-UHFFFAOYSA-N 276.300 0.404 0 50 CCAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@@H]1CCc2n[nH]cc2C1 1875311116 NOUXYMDZKUHUGY-HQHREHCSSA-N 289.335 0.740 0 50 CCAA O=C([C@@H](O)c1ccccc1)N1CC(c2cc(CO)on2)C1 886084831 KMADTHKKPSQRQG-AWEZNQCLSA-N 288.303 0.826 0 50 CCAA C=CC(=O)N1CCc2nc[nH]c2[C@H]1c1ccnn1C 1776004691 OKVKPFTZNKBJPZ-CYBMUJFWSA-N 257.297 0.803 0 50 CCAA CN1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 20472387 FPULDDIOQDOFQI-UHFFFAOYSA-N 297.380 0.446 0 50 CCAA Cc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2)ccc1F 150810867 QNNQAZAGRIVSGF-PWSUYJOCSA-N 252.289 0.473 0 50 CCAA Cn1nccc1C(=O)N1CCC([C@@H]2CCNC2)CC1 290190365 QIZXNSSFIIRYFM-GFCCVEGCSA-N 262.357 0.882 0 50 CCAA Cc1nn(C)c(C)c1CC(=O)N(C)[C@@H]1CCNC1 179078451 CIZQPEIIEFPZFY-LLVKDONJSA-N 250.346 0.400 0 50 CCAA NC(=O)[C@@]1(O)CCCN(Cc2nccn2C(F)F)C1 311505184 GCHGJZVXHPWLDU-LLVKDONJSA-N 274.271 0.090 0 50 CCAA CC(=O)N[C@H](C)C(=O)N1CCC(c2cnc[nH]2)CC1 408400429 RXYAQCWEHXWSMI-SECBINFHSA-N 264.329 0.640 0 50 CCAA CC1CCC(N(C)C(=O)[C@H]2CNCCN2C)CC1 686924807 PCKVWNSUVVGLFV-WXRRBKDZSA-N 253.390 0.927 0 50 CCAA CN(C)[C@H]1CN(Cc2cnccc2Cl)C[C@@H]1O 823730003 AJRMHAHMXPJHEI-RYUDHWBXSA-N 255.749 0.842 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)[C@H]1CCCCO1 923201281 TWVORFBTADNAHS-NZHYYXIDSA-N 253.298 0.781 0 50 CCAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCOCC1 181705 SFGYIUPSHSHZBW-UHFFFAOYSA-N 274.276 0.141 0 50 CCAA Cc1cncc(C(=O)Nc2c(C)nc3nc(C)[nH]n3c2=O)c1 2356138521 DDRUWPUYDQNGHK-UHFFFAOYSA-N 298.306 0.990 0 50 CCAA C[C@H]1CCCN(C[C@H](C)NS(=O)(=O)c2c[nH]cn2)C1 225400586 GYPWRMKTCVASGZ-QWRGUYRKSA-N 286.401 0.808 0 50 CCAA COC[C@@H]1CN(C(=O)CCn2cncn2)CC(C)(C)O1 343734657 MFGKHTDYHOGNEI-NSHDSACASA-N 282.344 0.321 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COC2CCC(C)CC2)C1 344963635 BFYFPAXRWGKTDL-TYUFSLCMSA-N 298.383 0.683 0 50 CCAA CN1CCO[C@H](CN(Cc2cnn(C)c2)CC2CC2)C1 328628843 HQPBYFNPRULQSG-HNNXBMFYSA-N 278.400 0.963 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccc2c(c1)nnn2C 67741820 JHAGPIOQTLUPIL-AAEUAGOBSA-N 290.323 0.502 0 50 CCAA C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@@H](C)N1 153697841 AZPBHSJBDZFFPQ-NXEZZACHSA-N 289.335 0.840 0 50 CCAA O=C(COc1ccccc1)NC1CCS(=O)(=O)CC1 330435909 AUNXYAMSFTVENQ-UHFFFAOYSA-N 283.349 0.759 0 50 CCAA CCn1cc(CCN2C(=O)[C@@](C)(COC)N=C2O)cn1 330796093 DOJZTYQCZPLNQC-CYBMUJFWSA-N 280.328 0.607 0 50 CCAA C[C@H]1CNCCN1C(=O)c1cc(C(N)=O)cs1 125608782 KFTYKANJGDMHPL-ZETCQYMHSA-N 253.327 0.281 0 50 CCAA Cn1nccc1NC(=O)N1CCC[C@H]1CN1CCOCC1 125692568 DCQFFCNRHREWQG-LBPRGKRZSA-N 293.371 0.749 0 50 CCAA CC(C)C[C@H]1C(=O)NCCCN1C(=O)N1CCOCC1 335713796 LZEQIAAROIAMIT-LBPRGKRZSA-N 283.372 0.675 0 50 CCAA CCOc1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)o1 72149922 WCCWMAMPFFKIFF-NXEZZACHSA-N 269.297 0.494 0 50 CCAA Nc1ccc(C(=O)N2CCN(C3CCCC3)C(=O)C2)cn1 216097880 IBOLAJOSMVBNDS-UHFFFAOYSA-N 288.351 0.891 0 50 CCAA COCCCn1nccc1CN1CCO[C@H](COC)C1 374995136 OFTXLRHVCQBREO-AWEZNQCLSA-N 283.372 0.767 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCN1 71747992 WJKUFBDSFUYJKE-ZDUSSCGKSA-N 287.319 0.595 0 50 CCAA CCCN(C(=O)c1ccncc1F)[C@H]1CC(=O)N(C)C1=O 283413365 FLEBIZGZCFVEGN-NSHDSACASA-N 293.298 0.830 0 50 CCAA Cn1cc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)cn1 329208611 BTLYSLHXCSLGBM-LBPRGKRZSA-N 298.412 0.669 0 50 CCAA CN1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 222449590 QYUJVVZSETTXFH-UHFFFAOYSA-N 262.361 0.015 0 50 CCAA Cc1ncnc(C)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 82310414 RIUMAGLLJJCQIM-SECBINFHSA-N 269.326 0.010 0 50 CCAA Cc1cnc(CNC(=O)N2CC[C@H](CN(C)C)C2)[nH]1 426658523 RZKRKIQZSORWIH-LLVKDONJSA-N 265.361 0.811 0 50 CCAA CN(C)[C@@H]1CCCN(C(=O)NCc2nc[nH]n2)CC1 426621580 HYPMNHDIPZRLBW-SNVBAGLBSA-N 266.349 0.430 0 50 CCAA CCC[C@@H](C)c1cn(CCc2c[nH]c(=O)[nH]c2=O)nn1 91951828 IIQBNWCIKKBENY-SECBINFHSA-N 277.328 0.801 0 50 CCAA Cc1nc(C2(NC(=O)[C@@H]3C[C@@H]3C(=O)O)CCC2)no1 299752371 TXDFYXUIEVHEAE-SFYZADRCSA-N 265.269 0.594 0 50 CCAA CS(=O)(=O)NC[C@H]1CCCN(c2cnccn2)C1 298444749 DLPXTTDCSOONJI-SNVBAGLBSA-N 270.358 0.242 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)cc1C 625596647 LGKUAQFMINIRFI-STQMWFEESA-N 285.365 0.732 0 50 CCAA Cc1csc(CCNC(=O)[C@H]2CCC(=O)NC(=O)N2)n1 534631156 NGZUPXPIASIRHW-MRVPVSSYSA-N 296.352 0.098 0 50 CCAA Cc1cc(N2CCC[C@@H]2C(=O)O)nc(N2CCOCC2)n1 534673095 MAZJGAHWDFSBPN-LLVKDONJSA-N 292.339 0.675 0 50 CCAA CC[C@@H](NC(=O)CCn1cc(C)cn1)c1ncnn1C 534652483 YYMWEURFTAQHLT-LLVKDONJSA-N 276.344 0.978 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1N=c1nc(N)[nH]c(C)c1Cl 534661140 QKFOFOQBAJSWQT-YUMQZZPRSA-N 271.752 0.183 0 50 CCAA CCOCc1nnc(N2C[C@H](C(=O)O)CC2=O)s1 585122767 ADAYKSKJLNLSDC-ZCFIWIBFSA-N 271.298 0.512 0 50 CCAA CN(C)C1=NC2(CCN([C@@H]3CCSC3)CC2)C(=O)N1 584886897 HMIIUJBRGNCHHH-SNVBAGLBSA-N 282.413 0.374 0 50 CCAA CN(Cc1nnc[nH]1)S(=O)(=O)C1Cc2ccccc2C1 242191352 XEXGQJOFBWCMGQ-UHFFFAOYSA-N 292.364 0.734 0 50 CCAA CCCCS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1nc(C)no1 408061528 KFAWXAOOMCNFOT-VHSXEESVSA-N 289.357 0.616 0 50 CCAA C[C@@H]1CN(C(=O)c2cnn3ncccc23)[C@H](C)CN1C 408398685 BYQMGMJBFGDRPM-GHMZBOCLSA-N 273.340 0.894 0 50 CCAA COc1ncc(C(=O)N2CCCC[C@@H]2[C@H](C)N)cn1 408525453 NJWDJHNTPHFQKB-GXSJLCMTSA-N 264.329 0.827 0 50 CCAA C[C@H](O)CCNC(=O)[C@H]1COc2ccc(O)cc2O1 631373527 YWYSOIMHRJEFIP-QPUJVOFHSA-N 267.281 0.419 0 50 CCAA Cc1ccc(C[C@H](CNS(C)(=O)=O)C(=O)O)cc1 548542551 NQYJFKAZLDSYFK-LLVKDONJSA-N 271.338 0.788 0 50 CCAA CO[C@H](C)[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 188790706 CABJVCRFGZAAJS-LPEHRKFASA-N 278.374 0.238 0 50 CCAA CC[C@@]1(CO)CCCN1C(=O)CNC(=O)C(C)(C)C 189257531 HUYTYJCBGXRFNU-AWEZNQCLSA-N 270.373 0.912 0 50 CCAA COCCC1(C(=O)N2CC[C@](O)(c3cnn[nH]3)C2)CCC1 583619136 SHESZYAJXVPNEQ-CQSZACIVSA-N 294.355 0.431 0 50 CCAA Cn1nnc2c(C(=O)N[C@H]3C[C@@H]3C(F)F)ccnc21 557437197 PHSSQZVWQIKGCB-BQBZGAKWSA-N 267.239 0.747 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)NCCC1=CCCC1 644407690 XFBCAXRUUPKIHL-ZDUSSCGKSA-N 280.368 0.976 0 50 CCAA CN1CCS(=O)(=O)C[C@H]1CC(=O)N1CCC=C(F)C1 644408782 WELRLXDFYIZTPW-LLVKDONJSA-N 290.360 0.191 0 50 CCAA COCC(C)(C)CS(=O)(=O)N1C[C@@H]2CC[C@]2(N)C1 1615059227 YBWHLKXOMGIAMV-JQWIXIFHSA-N 276.402 0.412 0 50 CCAA COc1nn(C)cc1CNC(=O)[C@@]12CCCC[C@@H]1NCC2 1615555331 ROUYJZRWTLOUIT-SWLSCSKDSA-N 292.383 0.967 0 50 CCAA Cc1cc(C)c(CNC(=O)N[C@@H](C)c2nnnn2C)cn1 1615615036 NBRJURSFPDCRHK-JTQLQIEISA-N 289.343 0.782 0 50 CCAA COc1cc(C(=O)N2CCC([C@H](O)CO)CC2)ccn1 1772709108 GYERBZUHNSBBGM-GFCCVEGCSA-N 280.324 0.296 0 50 CCAA CCc1noc(NC(=O)[C@H]2CCCN(CC(N)=O)C2)c1C 1506420591 KUYCYSYBEODLNV-JTQLQIEISA-N 294.355 0.681 0 50 CCAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1[nH]nnc1C 1506422791 UTCOUSHDFSSTMN-SNVBAGLBSA-N 279.344 0.586 0 50 CCAA Cc1cnnc(N2CCN(c3nc[nH]n3)CC2)c1C 1857675996 MRAQYQBGAGITJU-UHFFFAOYSA-N 259.317 0.538 0 50 CCAA OC[C@H]1C[C@@H](O)CN1c1ncccc1Br 408105680 IOMQJGJVBCMLQP-HTQZYQBOSA-N 273.130 0.776 0 50 CCAA CO[C@H]1C[C@@H](CO)N(C(=O)Cc2ccc(C)nc2)C1 345503352 HTDZCKGWAYVGRM-STQMWFEESA-N 264.325 0.541 0 50 CCAA OCC1(CO)[C@H]2CN(CCCOc3ccccc3)C[C@H]21 1772809001 ILRRYCGRGCYRDX-GASCZTMLSA-N 277.364 0.988 0 50 CCAA CCc1cnc(N)nc1N1CCC(c2nc(N)n[nH]2)CC1 1772701237 MQEHUIFVOCHEAX-UHFFFAOYSA-N 288.359 0.706 0 50 CCAA Cc1cnc(N2C[C@@H]3COCC[C@]3(CO)C2)nc1N(C)C 1772704554 SEOVMDQSBRRXBF-IUODEOHRSA-N 292.383 0.686 0 50 CCAA COc1cc(CCC(=O)N2CCc3nc[nH]c3C2)on1 1775965362 MYATXZQMFVAVSM-UHFFFAOYSA-N 276.296 0.924 0 50 CCAA CS(=O)(=O)N(CC(=O)O)c1ccc(F)cc1F 15108252 XXBFJYNCLFPFEA-UHFFFAOYSA-N 265.237 0.815 0 50 CCAA CCC[C@]1(CO)CCN(Cc2cc(O)nc(O)n2)C[C@@H]1O 1875249549 AGXUFOALMMSUBH-SMDDNHRTSA-N 297.355 0.233 0 50 CCAA COc1ncnc(OC)c1C(=O)N1CC[C@H](C(=O)O)C1 261861673 PTQNTXQOJMNVFR-ZETCQYMHSA-N 281.268 0.041 0 50 CCAA CCCC1(O)CCN(C(=O)[C@H]2COC(=O)N2)CC1 585085590 ACBXVIJRCSOKRR-SECBINFHSA-N 256.302 0.248 0 50 CCAA CO[C@@H](C(=O)Nn1ccccc1=O)c1cnn(C)c1 1116905136 PRNBMROXZDZKCO-LLVKDONJSA-N 262.269 0.040 0 50 CCAA Nc1ncnc2c1ncn2CCNC(=O)[C@@H]1CCCCO1 862973979 ACPWADSPHJIPOZ-VIFPVBQESA-N 290.327 0.094 0 50 CCAA C[C@H](O)[C@@H](O)CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 871125892 FHIRBARNFDQCQO-SDBXPKJASA-N 293.298 0.687 0 50 CCAA CNC(=O)COC(=O)c1nnc(O)c2ccccc12 952961832 LZXKBZYYHJGOOO-UHFFFAOYSA-N 261.237 0.238 0 50 CCAA O=C(O)[C@H]1[C@H]2CN(C(=O)[C@@]34C[C@@H](F)[C@@H]3C4)CC[C@H]21 1875290348 VSPGKFJQIWUIDV-OZHGGOSRSA-N 253.273 0.914 0 50 CCAA Cc1cnccc1[C@H](C)NCC(=O)N1CCOCC1 1875285627 UFIKHGXARRBXRC-LBPRGKRZSA-N 263.341 0.899 0 50 CCAA c1nc2c(s1)C[C@@H](N=c1ccc3nnnn3[nH]1)CC2 1875287029 SEEJDKNTXXMBQD-ZETCQYMHSA-N 273.325 0.367 0 50 CCAA O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@H]2O)c1ccns1 1875307116 KVZXLNKOIMJVQX-AWMPCHPZSA-N 288.394 0.971 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](Cc1nccc(O)n1)C(=O)O 1772717646 UMCDDQRHVNFDOL-ZETCQYMHSA-N 283.284 0.703 0 50 CCAA C[C@@H]1CN(C2CC2)CCN1S(=O)(=O)c1ncc[nH]1 402825168 ZVHFFMNEFYJNEH-SECBINFHSA-N 270.358 0.267 0 50 CCAA C[C@@H]1CN(Cc2nnc(C3CC3)n2C)CC[C@@H]1O 407949570 RKIAFNXFMSHHPX-KOLCDFICSA-N 250.346 0.895 0 50 CCAA CSC(C)(C)[C@H](N)C(=O)N1CCc2nc[nH]c2C1 2100544756 IIGJXVFNEJXTBW-SNVBAGLBSA-N 268.386 0.763 0 50 CCAA C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C=CC[C@H](C(=O)O)C1 1875270549 VARJXNSJZIHAPS-NAKRPEOUSA-N 269.297 0.326 0 50 CCAA O=C(O)[C@@H]1C=CCN1S(=O)(=O)c1ccc2c(c1)OCC2 2325765458 ILWYLUZNSWOGKC-NSHDSACASA-N 295.316 0.635 0 50 CCAA O=C1CC[C@@H](CNC(=O)c2n[nH]cc2-c2ccncc2)O1 2325798072 LQBZRGKYLPGETD-JTQLQIEISA-N 286.291 0.907 0 50 CCAA CCOC(=O)[C@H]1CSCCN1Cc1cnc(C)[nH]c1=N 2325809044 AAAYYZIVGNYKLQ-LLVKDONJSA-N 296.396 0.678 0 50 CCAA O=C(NCCCCc1nc(=O)o[nH]1)C12COC(CF)(C1)C2 2325821843 FQYXHAIJNSVVJY-UHFFFAOYSA-N 299.302 0.321 0 50 CCAA O=C1c2ccc(Br)cc2C(=O)N1CO 76115 AKPHQMBYYRWYKO-UHFFFAOYSA-N 256.055 0.995 0 50 CCAA Cn1c(=O)c2cn(-c3ccccc3N)cc2n(C)c1=O 190218 FTSXEXGEBABPTN-UHFFFAOYSA-N 270.292 0.610 0 50 CCAA N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O 1530464 DCWXELXMIBXGTH-QMMMGPOBSA-N 261.170 0.113 0 50 CCAA endogenous,in-man COc1ccc(C(N)=O)cc1S(=O)(=O)N1CCCC1 6697946 UOOUCBMWYGUGQZ-UHFFFAOYSA-N 284.337 0.579 0 50 CCAA CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3)n(C)c1=O 10386921 GXHQXKSRWPFJHR-SSDOTTSWSA-N 276.300 0.279 0 50 CCAA O=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccccc1 100328264 RSWJDTMHFVKAAO-GFCCVEGCSA-N 260.293 0.651 0 50 CCAA C[C@@]1(NC(=O)COc2cccnc2)CCS(=O)(=O)C1 219453333 PXRWMXXUGQWGAS-GFCCVEGCSA-N 284.337 0.154 0 50 CCAA COCCN(C(=O)c1nccnc1N)[C@H]1CCO[C@H]1C 331214507 UTPSRTHSTVUHTK-UWVGGRQHSA-N 280.328 0.325 0 50 CCAA O=C1CCc2ccc(NC(=O)[C@@H]3COCCO3)cc2N1 172658818 OEYCHJKXKIKFPZ-LBPRGKRZSA-N 276.292 0.925 0 50 CCAA CC(C)CN1C[C@H]2CN(C(=O)NC3CC3)CCN2C1=O 336272342 CKODBVGIMRRFSC-GFCCVEGCSA-N 280.372 0.936 0 50 CCAA C[C@H]1Oc2c(cccc2C(=O)NCC(=O)O)NC1=O 262242398 BTPKVJDORNMKMC-ZCFIWIBFSA-N 264.237 0.220 0 50 CCAA CN(C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12)C1CC1 336575248 BFWHFSGZAPKCFP-GHMZBOCLSA-N 251.330 0.944 0 50 CCAA Cn1nccc1/C=C/C(=O)N1CCOC[C@@H]1CC(=O)O 129441633 ZJZZUBVTNJBNHZ-VUDBWIFFSA-N 279.296 0.135 0 50 CCAA Cc1c(C(=O)N(C)CCN2CCOCC2)ccn1C 195196006 GUFGQJFGHPMBEW-UHFFFAOYSA-N 265.357 0.738 0 50 CCAA Cc1noc(C)c1[C@H]1CCCN1C(=O)Cn1nnnc1N 223643463 VLLFGDZRCIXOQJ-SECBINFHSA-N 291.315 0.224 0 50 CCAA O=C(c1ccc2nc(O)n(C3CC3)c2c1)N1CC(O)C1 612309891 LTPJMFYKHQDDAR-UHFFFAOYSA-N 273.292 0.894 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)[C@@]1(C)CCCO1 426424254 MCLZHSCSUWYXLJ-CQSZACIVSA-N 263.341 0.909 0 50 CCAA CN(C)[C@@H](/C=C/c1ccccc1)CS(N)(=O)=O 43763743 WJZRJFXLYOPLGY-BCPZQOPPSA-N 254.355 0.919 0 50 CCAA CN(CCCO)C(=O)Cn1nccc1[C@@H]1CCCNC1 426684574 WHKCHXWOPPSXEO-GFCCVEGCSA-N 280.372 0.191 0 50 CCAA O=c1[nH]c2ccc(Cn3cc([C@H]4CCOC4)nn3)cc2[nH]1 95374159 ITOZIZBOKKTEEL-JTQLQIEISA-N 285.307 1.000 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1C1[C@@H]3C4C5[C@@H]1[C@@H]5C2[C@H]43 230113911 FOVABRXCXSLHGN-CUXBLVMZSA-N 279.299 0.648 0 50 CCAA COc1nc2c(cc1C(=O)N1CC=C[C@@H]1CO)CCC2 91656564 CCJWCQQZZMLIBP-LLVKDONJSA-N 274.320 0.952 0 50 CCAA COc1cc(C(=O)N2CC[C@]3(CCCNC3=O)C2)ccn1 91587242 PDUQBFLRNZHQKR-OAHLLOKOSA-N 289.335 0.833 0 50 CCAA CCN(CCO)C(=O)c1c(C)cc(C)n(C)c1=O 97660713 NBPZMGKMWWZPMZ-UHFFFAOYSA-N 252.314 0.457 0 50 CCAA CCCc1noc([C@@H]2CC(=O)N(CCN(C)C)C2)n1 95367773 TXQSXTKCWRXBOY-SNVBAGLBSA-N 266.345 0.900 0 50 CCAA Cn1cc(NC(=O)NCCCN2CCCC2=O)cn1 95498394 CSBGPVBFBAYIRX-UHFFFAOYSA-N 265.317 0.554 0 50 CCAA CCCCn1nc(C2CC2)nc1Cc1c[nH]c(=O)[nH]c1=O 96154023 OYDQCSIEZMLHPH-UHFFFAOYSA-N 289.339 0.923 0 50 CCAA Cc1nn(CC(=O)N2CC=C[C@H]2CO)c(=O)c2ccccc12 91625157 XXUKOALDBAFWMM-LBPRGKRZSA-N 299.330 0.464 0 50 CCAA Cn1ncnc1CCNC(=O)COC[C@H]1CCCCO1 244708321 KRQJNETXZHLERH-LLVKDONJSA-N 282.344 0.060 0 50 CCAA Cn1cc([C@H](CO)NC(=O)Cc2c[nH]c3ncccc23)cn1 537596050 LQRNTJXDXFMMLQ-ZDUSSCGKSA-N 299.334 0.689 0 50 CCAA NC(=O)CN(CCC1CCCCC1)C(=O)[C@@H]1C[C@@H]1C(=O)O 299749275 JUKGDYATSLVSAW-NEPJUHHUSA-N 296.367 0.991 0 50 CCAA O=C(NCc1ccc2c(c1)CCC2)[C@H]1C[C@H](O)CN1 299753117 WWVXUHVHNKIMBG-UONOGXRCSA-N 260.337 0.514 0 50 CCAA Cc1nc(C)c(C(=O)NCC2(O)CCOCC2)nc1C 184298352 NONBGKTUGDCQTF-UHFFFAOYSA-N 279.340 0.673 0 50 CCAA N[C@@H]1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1O 534647957 CDNMRUGYXMIGCX-RGVKIIRZSA-N 279.384 0.669 0 50 CCAA Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCNC1=O 299766288 ICNLBJPVLBATRA-JTQLQIEISA-N 290.323 0.494 0 50 CCAA Cn1cncc1C(=O)N1CCCO[C@@H](CN2CCCC2)C1 299802426 LUDFVBZXQQETBZ-ZDUSSCGKSA-N 292.383 0.747 0 50 CCAA O=C(C1CC=CC1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299802251 SIUYTPRQYVARJW-QWHCGFSZSA-N 274.324 0.917 0 50 CCAA CC(C)n1cnnc1CCNC(=O)c1cc2ncccn2n1 299764936 XDDHWMGCNLNFRE-UHFFFAOYSA-N 299.338 0.874 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1ccc2c(c1)CCCO2 824506865 WXNPVJCATHSAJU-JSGCOSHPSA-N 276.336 0.728 0 50 CCAA O=C(O)[C@H]1[C@H](C(=O)NCc2cccnc2)[C@H]2C=C[C@H]1O2 239121041 JERWRHFLMJMVBC-DDHJBXDOSA-N 274.276 0.352 0 50 CCAA CCN(CC(=O)NC[C@@H]1CCCO1)Cc1nc(C)no1 241081910 YSGVNIXCWVEBKT-NSHDSACASA-N 282.344 0.495 0 50 CCAA N[C@@H]1CN(C(=O)NCc2cccnc2O)CC12CCC2 1553519567 RDJHAPUMWUKUQM-LLVKDONJSA-N 276.340 0.810 0 50 CCAA C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)C1(C)CC1 408226678 OUSXUGJAYNKFMS-XLKFXECMSA-N 253.389 0.568 0 50 CCAA Cc1o[nH]c(=N)c1S(=O)(=O)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 408499269 LRSBLDQYLBXMSE-IWSPIJDZSA-N 299.352 0.637 0 50 CCAA C[C@@H](NC(=O)c1ccc2nc(S)oc2c1)C(N)=O 170642025 DXMKETODOIJZAY-RXMQYKEDSA-N 265.294 0.720 0 50 CCAA CCOC[C@@H]1CCCN(C(=O)[C@H]2CNCCO2)C1 187779528 JWZGANRZUDVWLV-VXGBXAGGSA-N 256.346 0.250 0 50 CCAA COCCn1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)O)n1 659152695 CDORJESTJQRUIQ-VHSXEESVSA-N 281.312 0.513 0 50 CCAA NC(=O)NC1CCN(C(=O)c2noc3c2CCCC3)CC1 1776002487 JPPQMJXZBGXYEK-UHFFFAOYSA-N 292.339 0.826 0 50 CCAA CC(=O)NC1(C(=O)OCc2nnn(C)n2)CCCCC1 799476964 YMENNJXECBWZJS-UHFFFAOYSA-N 281.316 0.092 0 50 CCAA C[C@H]1NC(=O)[C@@H](Cc2ccccc2Br)NC1=O 1615546926 PZHIARUTDPAHQG-GMSGAONNSA-N 297.152 0.995 0 50 CCAA Cc1cc(C(=O)O)nc(NCCN2CCC[C@H](CO)C2)n1 1506415887 DLMXHYDEQYNILX-NSHDSACASA-N 294.355 0.599 0 50 CCAA CC(=O)NCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529092632 WJGBXFGGHJZKNK-UKRRQHHQSA-N 292.335 0.084 0 50 CCAA Cc1cc(C[C@@H]2CN(CCCn3cccn3)C[C@H]2O)n[nH]1 1529099108 QNCITQBLVUDCRC-UKRRQHHQSA-N 289.383 0.840 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)C3CCNCC3)C[C@H]2O)n[nH]1 1704298857 KQHZYSPYJIIQPZ-TZMCWYRMSA-N 292.383 0.080 0 50 CCAA CN1CCN(c2n[nH]c(=N)s2)CC12CCOCC2 1857670133 VNVUXUPYKOUTLR-UHFFFAOYSA-N 269.374 0.252 0 50 CCAA Cc1[nH]ncc1S(=O)(=O)N1C[C@H]2[C@H](N)CCC[C@H]2C1 228542704 GGFBACZYGHLFGP-HBNTYKKESA-N 284.385 0.466 0 50 CCAA C[C@H]1CCCN(C(=O)CC2CCNCC2)[C@@H]1CN 156796866 SYUUABLQJRCFLI-WCQYABFASA-N 253.390 0.962 0 50 CCAA Cc1noc(C)c1CN1CCC([C@@H](O)CO)CC1 1772702755 DTNMLSJOQYDBME-ZDUSSCGKSA-N 254.330 0.857 0 50 CCAA CCN1C(=O)N(C)C(=O)C12CCN([C@@H](C)COC)CC2 14754904 KQWMWQXZUXBIHL-NSHDSACASA-N 283.372 0.770 0 50 CCAA OCCN1CCN(C(=S)NCc2ccco2)CC1 19859246 SZKRKEZXFXTXTJ-UHFFFAOYSA-N 269.370 0.264 0 50 CCAA Cn1nccc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857717760 WZMRIYMCEUBYIR-SGMGOOAPSA-N 290.367 0.402 0 50 CCAA COc1c(F)ccc(F)c1C(=O)NC[C@@H]1CNCCO1 423984407 BPFAKGVLDFMYMT-QMMMGPOBSA-N 286.278 0.692 0 50 CCAA CC(C)[C@@]1(O)CN(C(=O)CCc2n[nH]c(N)n2)C[C@@H]1C 248200032 UUZUCIVPPRJVEH-ZANVPECISA-N 281.360 0.185 0 50 CCAA CCOC(=O)N1CCN(C[C@H](O)COC(C)C)CC1 19938334 LNGHOSSVHMUVGN-LBPRGKRZSA-N 274.361 0.546 0 50 CCAA C[C@@H]1C[C@@H](CN)CN1C(=O)Cn1c(=O)[nH]c2ccccc21 262079699 XMWFTCZMCNOPHC-MNOVXSKESA-N 288.351 0.525 0 50 CCAA O=C1NC[C@@H](C(=O)NCC(=O)c2c[nH]c3ccccc23)N1 1220197420 BUCGVPFFOBMKDR-NSHDSACASA-N 286.291 0.148 0 50 CCAA Cc1cc(CC(=O)N[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)on1 923194457 PNIMNPWOKDOQSM-ZRUFSTJUSA-N 264.281 0.751 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H](CO)Cc1ccc(C)cc1 861216816 NQNHKRUQOKTWOD-CQSZACIVSA-N 290.363 0.659 0 50 CCAA O=C(NS(=O)(=O)C1(Cl)CC1)[C@@]12CC[C@@H](CO1)C2 1875291141 PDHYMKZDIBSRSB-APPZFPTMSA-N 279.745 0.730 0 50 CCAA O=C(NC1CC(Nc2ccccc2)C1)[C@@H]1CCS1(=O)=O 1875369184 YJZJBSDUUAZQHN-BPCQOVAHSA-N 294.376 0.933 0 50 CCAA O[C@H]1CCN(CC(CN2CC[C@H](O)C2)C2CCCC2)C1 878053751 NZSXOXZBVFTLBL-HOTGVXAUSA-N 282.428 0.926 0 50 CCAA CO[C@@H]1COCC[C@H]1N(C)CC(=O)N1CCCC1 880425485 OMFWYVITZVLRDL-VXGBXAGGSA-N 256.346 0.345 0 50 CCAA CC(=O)Nc1nnc(S(=O)(=O)NCC(C)C)s1 36182521 ZEXFSUQOCJCQBH-UHFFFAOYSA-N 278.359 0.431 0 50 CCAA CCNC(=O)CNC(=O)[C@H](F)[C@@H](C)C(F)(F)F 1775999019 MDPZILHEMPEPKW-IYSWYEEDSA-N 258.215 0.775 0 50 CCAA CO[C@H]1C[C@H](NC(=O)NC[C@@H](O)c2c(C)nn(C)c2C)C1 1775987188 OFSDPPCJKPSYML-IJLUTSLNSA-N 296.371 0.547 0 50 CCAA CNc1nc(CN2CC[C@@](C)(O)[C@@H](O)C2)cs1 96131768 TUFITVWBPCLMSV-GXSJLCMTSA-N 257.359 0.502 0 50 CCAA CCN(CC)S(=O)(=O)NCc1cc(C(=O)O)co1 525958129 QCEKUXLSNNPIGM-UHFFFAOYSA-N 276.314 0.654 0 50 CCAA CO[C@]1(C(=O)N2CCC(c3cnc[nH]3)CC2)CCOC1 330029833 QQPKBUACGDCFEY-CQSZACIVSA-N 279.340 0.921 0 50 CCAA COc1ccnc(C(=O)N2CCO[C@@H](CC(=O)O)C2)c1 683316004 HDJKIAJJVNSSGX-JTQLQIEISA-N 280.280 0.406 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1ccncc1F)C2 2100545106 HDBKHBZDHZPVFV-HZMBPMFUSA-N 280.299 0.956 0 50 CCAA CSc1nc(=Nc2ncc(C)c(N(C)C)n2)[nH]n1C 2100547879 QGNXXFSBCVXEFU-UHFFFAOYSA-N 279.373 0.867 0 50 CCAA Cc1ccc(N2C[C@@H](C(=O)NC[C@H](C)O)CC2=O)cc1 50544 MEDOHCUNFJVPGQ-RYUDHWBXSA-N 276.336 0.845 0 50 CCAA Cn1nnnc1SCC(=O)Nc1ccc(Cl)cn1 2205158 NZQAGBRFTXTLGI-UHFFFAOYSA-N 284.732 0.989 0 50 CCAA O=C(O)c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1 7997048 JZSBHNJDGWISEK-QMMMGPOBSA-N 270.310 0.818 0 50 CCAA CC(=O)NCCOc1ccc(N)cc1OCCNC(C)=O 8783557 HNRNXWHSYYMAFU-UHFFFAOYSA-N 295.339 0.299 0 50 CCAA CSCC[C@@H](CO)NC(=O)CSc1nc(C)n[nH]1 55053661 MZACNFJVGAACCF-QMMMGPOBSA-N 290.414 0.435 0 50 CCAA COC(=O)c1ccc(C(=O)NCC[C@H](C)[S@@](C)=O)[nH]1 343102566 WSYPWWWIKQBRPM-WPCRTTGESA-N 286.353 0.688 0 50 CCAA Cc1nc(CCN)cc(N(C)Cc2nccn2C)n1 67654905 ZSGWJQYMYHDSSO-UHFFFAOYSA-N 260.345 0.656 0 50 CCAA N[C@]1(C(=O)O)CCN(Cc2ccc(-n3cncn3)cc2)C1 67880010 LNBNWJURIARJHT-CQSZACIVSA-N 287.323 0.255 0 50 CCAA CS(=O)(=O)NCC(=O)NCCCOC1CCCC1 61523666 BGLXLLJDIRUMHE-UHFFFAOYSA-N 278.374 0.001 0 50 CCAA C[C@]1(CO)CCC[C@H]1NC1CCS(=O)(=O)CC1 329642107 YDLHERJGVFVVEI-VXGBXAGGSA-N 261.387 0.704 0 50 CCAA CC(C)c1nc(=NC[C@H]2CCCCS2(=O)=O)o[nH]1 329631052 ICDNEDKTWXVAFW-SECBINFHSA-N 273.358 0.994 0 50 CCAA O=C1NC(=O)[C@](c2ccccn2)(C2CCNCC2)N1 67689093 GXGAGRCWOWLKNE-CYBMUJFWSA-N 260.297 0.116 0 50 CCAA CN(C)c1ncc(CN2CCC[C@@](O)(CO)CC2)cn1 215803218 OPGGIIJQUABMFF-AWEZNQCLSA-N 280.372 0.252 0 50 CCAA CN(C[C@@H]1C[C@H](F)CN1c1cccnn1)[C@H]1CCOC1=O 328625309 CYVOLYFQSXYBKY-SRVKXCTJSA-N 294.330 0.641 0 50 CCAA CCCCO[C@H](C)C(=O)N1CCO[C@H](c2nncn2C)C1 328624364 JUKAPQXLRLCXHO-NEPJUHHUSA-N 296.371 0.920 0 50 CCAA CN(CCNC[C@@]1(O)CCCNC1)c1ccccc1 72424375 QTSGHCGXRPTMEC-OAHLLOKOSA-N 263.385 0.827 0 50 CCAA c1nc(N2CCN(C[C@@H]3CCOC3)CC2)c2[nH]cnc2n1 216504343 ZLXGFFSVKKZRNO-NSHDSACASA-N 288.355 0.511 0 50 CCAA O=C(NCc1nnc(S)n1C1CC1)[C@@H]1CCCO1 152698317 KTOWDEWFAIQNNE-QMMMGPOBSA-N 268.342 0.697 0 50 CCAA O=C(Cn1cn[nH]c1=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21 156353468 YLALRIIYZMLXQV-SCRDCRAPSA-N 284.319 0.274 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)o1 215061911 AHPNPSAEEKBDNH-CQSZACIVSA-N 292.291 0.615 0 50 CCAA Cn1cc([C@@]2(C)CN(C(=O)[C@H]3CSCN3)CCO2)cn1 237710667 AUIGOPZGRRAHCI-DGCLKSJQSA-N 296.396 0.157 0 50 CCAA CNS(=O)(=O)c1cc(C(=O)NCC(C)C)co1 157894008 DLFBBHVMJVLGTP-UHFFFAOYSA-N 260.315 0.574 0 50 CCAA Cn1nnc2cc(C(=O)N[C@H]3C=CS(=O)(=O)C3)ccc21 71775503 ACQLVQHRDYDODK-VIFPVBQESA-N 292.320 0.009 0 50 CCAA O=C(CCCOCc1ccccc1)N[C@@H]1CCNC[C@H]1O 77534773 PGJMGWRMUKHOBW-HUUCEWRRSA-N 292.379 0.822 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cn(C(C)C)cn2)C1 284724230 CRJMMVOEJSEOOJ-WDEREUQCSA-N 267.329 0.686 0 50 CCAA CCCc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)[nH]n1 44723700 CJDSBQQEWJKMBR-VIFPVBQESA-N 285.369 0.527 0 50 CCAA O=C(CCn1cncn1)N[C@H]1COc2ccccc21 195012935 WAAMZLQOHLLLDT-NSHDSACASA-N 258.281 0.918 0 50 CCAA CCN(C(=O)[C@H]1C[C@H]2C=C[C@H]1C2)[C@H]1CC(=O)NC1=O 291415819 CSUKDBGDXPGYES-NAKRPEOUSA-N 262.309 0.462 0 50 CCAA O=C1NCCN2CCN(C(=O)C3Cc4ccccc4C3)C[C@H]12 426412822 VTVUQSOTWDTHKW-OAHLLOKOSA-N 299.374 0.044 0 50 CCAA O=C(NCCn1cncn1)c1ccn(C(F)F)n1 222490779 YOKGTCPOVYPALC-UHFFFAOYSA-N 256.216 0.300 0 50 CCAA Cc1cncc(S(=O)(=O)N[C@@H](C)Cn2cncn2)c1 1364800999 RXNQFRYODVTXEA-JTQLQIEISA-N 281.341 0.349 0 50 CCAA Cc1ccn2c(C(=O)NC3CCOCC3)nnc2n1 426537787 WIWDHUUMKZICPE-UHFFFAOYSA-N 261.285 0.342 0 50 CCAA N[C@@H]1CCN(C(=O)Cc2cccc(Cl)c2)C[C@H]1O 82120980 MIYPRJUNIYQJDG-VXGBXAGGSA-N 268.744 0.803 0 50 CCAA COCC(=O)N1CCC(C(=O)NCCn2cccc2)CC1 95521318 IRJLZCMHMBJRQB-UHFFFAOYSA-N 293.367 0.489 0 50 CCAA NC(=O)Cn1ccnc1[C@@H]1CCCN(c2ncccn2)C1 95521747 LASCMMPAIXHOEN-LLVKDONJSA-N 286.339 0.542 0 50 CCAA COCCN1CCC[C@@H]1CNCc1cncn1C 237089175 MKONZMJPGUTWOS-GFCCVEGCSA-N 252.362 0.621 0 50 CCAA CCCn1ncc(C(=O)N2CCS(=O)(=O)CC2)c1C 91364600 SUCNMPIVDCJXLU-UHFFFAOYSA-N 285.369 0.472 0 50 CCAA C[C@H](c1ccncn1)N(C)CC(=O)Nc1ccn(C)n1 244594051 DFOSMKRQAOUKOC-SNVBAGLBSA-N 274.328 0.842 0 50 CCAA CCOC(=O)c1csc(NC(=O)[C@@H]2CC(=O)N(C)C2)n1 253399271 CSSDPDOIZPRZAD-SSDOTTSWSA-N 297.336 0.737 0 50 CCAA Cc1cc(C)n(CCCC(=O)NC[C@@H]2CNCCO2)n1 534648012 XDVJAWAFXFDJCG-ZDUSSCGKSA-N 280.372 0.385 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)CCn1cc(C)cn1 534581883 VWRDQNXLGFKVGV-RYUDHWBXSA-N 267.329 0.502 0 50 CCAA Cc1nn(CC(=O)NCCc2cc[nH]n2)cc1Cl 534576205 JWGYICCNYOEBFP-UHFFFAOYSA-N 267.720 0.927 0 50 CCAA COCC1(N(C)Cc2cnc(NCC(=O)O)nc2)CC1 534656826 BSSVGMWLJBKNRH-UHFFFAOYSA-N 280.328 0.584 0 50 CCAA OCC[C@H]1CN(CCc2cn[nH]c2)CCN1CC1CC1 299795255 LTOMFKGJGYFARQ-HNNXBMFYSA-N 278.400 0.731 0 50 CCAA CN1CCN2CCN(C(=O)c3cc(O)ccc3F)C[C@@H]2C1 299786632 XDZQLURNWOIVGL-NSHDSACASA-N 293.342 0.603 0 50 CCAA CCn1ccc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)n1 823588106 YBZWWOTYAYCLGF-KBPBESRZSA-N 264.373 0.544 0 50 CCAA NC(=O)c1ccc(NCCN2CCC[C@H](CO)C2)nc1 828711137 JAPCRUHWGUJVBL-NSHDSACASA-N 278.356 0.297 0 50 CCAA Cc1cc(CN(C)C(=O)NCc2nnc(N)s2)on1 584897484 JELQLLLWEMESAX-UHFFFAOYSA-N 282.329 0.758 0 50 CCAA CN1CC[C@](C)(CN(C)c2cncc(C(N)=O)n2)C1 670439365 PCJCTOLRZRDUAH-ZDUSSCGKSA-N 263.345 0.354 0 50 CCAA Cc1cc(C)n(C[C@H](C)NC2CCN(CCO)CC2)n1 670468914 VUTHZTUHCFKHQP-ZDUSSCGKSA-N 280.416 0.935 0 50 CCAA Cn1cc(NC(=O)Cn2ncc3ccccc3c2=O)nn1 1333129401 ZOYNCQSJQOCXDG-UHFFFAOYSA-N 284.279 0.164 0 50 CCAA NC(=O)N1CCC[C@H]1C(=O)NCCSC(F)(F)F 747356928 CAQNDYGLBVUNBR-LURJTMIESA-N 285.291 0.899 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)CCCc1cn[nH]c1 1565513071 YPERWNLRJXPFGM-RYUDHWBXSA-N 276.340 0.669 0 50 CCAA CCC[C@H]1CN(c2cc(NCCO)ncn2)C[C@@H]1C(=O)O 1565507165 LARJDZPIMFNZJE-QWRGUYRKSA-N 294.355 0.818 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)CCc1ccccn1 1565510213 BEORYUXAEHTCNP-STQMWFEESA-N 264.325 0.934 0 50 CCAA CCC[C@H]1CN(C(=O)c2cc(O)n[nH]2)C[C@@H]1NC(C)=O 1565530049 IINHHJXRFGYIGH-ONGXEEELSA-N 280.328 0.492 0 50 CCAA COC(=O)CCc1nnc(NC(=O)[C@@]2(C)CCCN2)s1 170050289 OCVAJEUITLORDZ-GFCCVEGCSA-N 298.368 0.724 0 50 CCAA CCCCc1cc(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]n1 170607973 LWYGRZXMTBKEMQ-VHSXEESVSA-N 280.328 0.724 0 50 CCAA CC[C@@H]1C(=O)NCCN1C[C@@H](OC)[C@H]1CCOC1 585094093 AIEKOZFESKQKLV-QJPTWQEYSA-N 256.346 0.248 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)Nc1ccn(CCC(N)=O)n1 191897934 XBQCHUUQEQDAMC-VHSXEESVSA-N 280.328 0.512 0 50 CCAA NS(=O)(=O)[C@@H]1CCN(c2nccnc2OC2CCC2)C1 663594989 OGVVYGZDMJGAJL-SNVBAGLBSA-N 298.368 0.275 0 50 CCAA CCCn1cc(C(=O)N[C@@H]2CNCC[C@@H]2OC)c(C)n1 1616097307 YLBBQQLLJXJUEA-OLZOCXBDSA-N 280.372 0.708 0 50 CCAA CNC(=O)c1ccc(CN2C(=O)C[C@H]3NCC[C@H]32)o1 1857691936 HGYGTAQZEZRSEA-NXEZZACHSA-N 263.297 0.102 0 50 CCAA COc1ccc(/C=C2/NC(=O)NC2=O)c(OC)c1OC 304038 KTIAAWKWAONQGB-SOFGYWHQSA-N 278.264 0.893 0 50 CCAA COC(=O)[C@H](N)CNC(=O)c1ccc(Cl)s1 117055865 OYKYFRIJVSLWRQ-RXMQYKEDSA-N 262.718 0.632 0 50 CCAA C[C@H]1CCN(C(=O)N2CCN3C(=O)NC[C@H]3C2)C1 334475994 MVHXLZCORGOAAU-UWVGGRQHSA-N 252.318 0.158 0 50 CCAA Cc1cc(NC(=O)CN2CC(F)(F)C[C@H]2CO)n(C)n1 364593409 WRLYRJXONGRZAB-VIFPVBQESA-N 288.298 0.369 0 50 CCAA CCS(=O)(=O)N1CCC[C@H](C(=O)NC2CSC2)C1 585131366 SYLWKANQHCAUMV-VIFPVBQESA-N 292.426 0.280 0 50 CCAA O=C1CO[C@]2(CCN(C3Cc4ccccc4C3)C2)CN1 1772814068 IAPJVJQXPPLUNQ-MRXNPFEDSA-N 272.348 0.745 0 50 CCAA O=C(COc1ccccc1)OCCN1CCOCC1 19883486 PJKPGKKTDVINIP-UHFFFAOYSA-N 265.309 0.941 0 50 CCAA Cc1cn2nnc(C(=O)NCc3ccco3)c2c(=O)[nH]1 169768983 KEPDILXEVRCKCK-UHFFFAOYSA-N 273.252 0.249 0 50 CCAA C[C@@H](O)c1nc(-c2cccnc2N(C)C)n(CCCO)n1 1857675477 ZFPSNCUDVMHOLB-SNVBAGLBSA-N 291.355 0.842 0 50 CCAA C[C@H]1CN2C[C@H](Nc3ncccc3C(N)=O)C[C@H]2CO1 1857735836 CFKRZSHQWBHCST-AXFHLTTASA-N 276.340 0.454 0 50 CCAA O[C@]1(Cn2ccnn2)CCN(c2ccc(Cl)cn2)C1 671466342 KZJNIMUYEWUMDU-GFCCVEGCSA-N 279.731 0.968 0 50 CCAA N[C@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 157906032 BGOQEAHHYLRJNW-ZDUSSCGKSA-N 259.353 0.432 0 50 CCAA CCCCNC(=O)[C@@H](C)N1CC[C@@](O)(Cn2ccnn2)C1 585081587 SWEIXEUKSCLNTN-OCCSQVGLSA-N 295.387 0.020 0 50 CCAA N[C@H]1CCCCCN(C[C@@H](O)Cn2cccn2)C1 864097253 QZNZPXZKJVYUSV-QWHCGFSZSA-N 252.362 0.447 0 50 CCAA Cc1nc[nH]c1CC(=O)N[C@@H]1CCc2c[nH]nc2C1 1150919713 GWXKQBQOMTWMCB-SNVBAGLBSA-N 259.313 0.657 0 50 CCAA CC1CCN(S(=O)(=O)N2CC[C@@H]3CCNC[C@@H]32)CC1 1875268563 ZMMSMBUMDAEKPX-STQMWFEESA-N 287.429 0.647 0 50 CCAA C=CC(=O)NCC(=O)N1CCO[C@@H](C(F)(F)F)[C@@H]1C 1875301338 GGCNJGBRQCOXRA-OIBJUYFYSA-N 280.246 0.467 0 50 CCAA COC(=O)/C=C/CNC(=O)CNC(=O)c1ccc(C)s1 1875312187 VXVRTWTWEAWDQV-ONEGZZNKSA-N 296.348 0.632 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H](C)c1ccnn1CC 1875367584 SDUOYDCPMCMZHB-JTQLQIEISA-N 264.329 0.725 0 50 CCAA O=C(N[C@@H]1C[C@]12CC2(F)F)C1(n2ccnn2)CC1 1875404499 KXXONGKQGCSVMV-APPZFPTMSA-N 254.240 0.681 0 50 CCAA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)Cc2nnn(C)n2)C1 886077621 CVLQYTSCDDQKJK-XQQFMLRXSA-N 294.403 0.284 0 50 CCAA COc1ccnc(CN2C[C@@H]3CCN[C@@H]3C2)c1OC 534663407 OQIKSXPQKDBMSA-WDEREUQCSA-N 263.341 0.893 0 50 CCAA O=C(Cc1ccc2c(n1)OCCO2)NO[C@H]1CCOC1 2325745678 ZQQVAGBKHCWTBZ-JTQLQIEISA-N 280.280 0.232 0 50 CCAA COCCN(Cc1ccc(C)o1)C(=O)[C@@H](F)C(=O)O 2325803085 PEFXIQJUTQILTH-SNVBAGLBSA-N 273.260 0.986 0 50 CCAA O=C(Nc1cnn2cccnc12)C12COC(C(=O)O)(C1)C2 2325818647 PABMYSLLUOQNSK-UHFFFAOYSA-N 288.263 0.302 0 50 CCAA C[C@@H]1C(=O)[C@@H]2C[C@@]3(C)CO[C@@]2([C@@H]3O)[C@]2(C)CC[C@@]12O 2332924319 LNLIBLOQCHPJML-KCWNRFLPSA-N 266.337 0.893 0 50 CCAA COc1cc(C(=O)O)c(-n2cnnn2)cc1OC 111607 RRRFGOPYUHQTGH-UHFFFAOYSA-N 250.214 0.378 0 50 CCAA O=C(NCc1cnc2cnccn12)c1cccc2ncnn12 2356151842 CMJZEHQRWAFSKF-UHFFFAOYSA-N 293.290 0.702 0 50 CCAA O=C(O)COCC(=O)N1CCN(c2ccccc2)CC1 4675764 BASOYKDVSGARCT-UHFFFAOYSA-N 278.308 0.436 0 50 CCAA CC[C@H](C)S(=O)(=O)N1C[C@H]2[C@H](CN(C)C)[C@H]2C1 101768309 HTTVRKNAMRXDMU-FIQHERPVSA-N 260.403 0.854 0 50 CCAA CN(C)C[C@H]1[C@@H]2CN(Cc3cnn(CCC(=O)O)c3)C[C@H]12 102145275 ILPYNAPQHFTOSP-ZSOGYDGISA-N 292.383 0.597 0 50 CCAA CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)O 227864833 CDEZYMXIGQQOOG-SSDOTTSWSA-N 295.748 0.461 0 50 CCAA NC(=O)CN1CCC[C@H](C(=O)NCC2=CCCCC2)C1 67885256 PIXRHKXVUPACET-ZDUSSCGKSA-N 279.384 0.800 0 50 CCAA C[C@@H]1C[C@H](N2CCO[C@@H](CNc3cccnn3)C2)C(=O)O1 229826815 FFTHIJYKCJBAMJ-WOPDTQHZSA-N 292.339 0.293 0 50 CCAA Cc1ccc(C(=O)N2C[C@H](CO)OC[C@@H]2C)n1C 129469784 SEFAORVQDMKUJT-WDEREUQCSA-N 252.314 0.555 0 50 CCAA CN(CC1CC1)C[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 328636274 NZJDZBDCMWKWPY-LBPRGKRZSA-N 278.356 0.593 0 50 CCAA CCSCCn1ncc(N2CCOCC2)cc1=O 72129643 RZYYHCNUEMWMDH-UHFFFAOYSA-N 269.370 0.833 0 50 CCAA CCc1nc2n(n1)C[C@H](N[C@H](CC)Cn1cncn1)CC2 328840055 OQSYJSGXLSVMRG-VXGBXAGGSA-N 289.387 0.815 0 50 CCAA CCC[C@@]1(CO)CCCN1C(=O)[C@H](C)NC(=N)O 331300372 QWDAXARGYKYSCZ-CABZTGNLSA-N 257.334 0.611 0 50 CCAA O=C([C@H]1CCC(O)=N1)N1CCOC[C@@H]1CC(F)F 329213105 IWGIVSPNEYSYGB-JGVFFNPUSA-N 262.256 0.988 0 50 CCAA NC(=O)NCC(=O)NCC[C@H]1COc2ccccc2O1 215615500 LFOFPXDWLHIZJD-VIFPVBQESA-N 279.296 0.001 0 50 CCAA C[C@H]1CNCCN1C(=O)CCOc1cccc(C(N)=O)c1 126159823 CWKWKBOUTKTPGB-NSHDSACASA-N 291.351 0.375 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 331736044 AZRPZMWIPCZFMK-XWLWVQCSSA-N 277.386 0.691 0 50 CCAA CC(=O)NCC(=O)N1CCOCC12CCCCC2 334758805 POGBJQIVGSWZDR-UHFFFAOYSA-N 254.330 0.684 0 50 CCAA NC(=O)[C@@H]1CCCN1C(=O)COc1ccc(F)cc1F 42398257 WIIOSRDOUGHXKG-JTQLQIEISA-N 284.262 0.820 0 50 CCAA COc1cccc(CN2C[C@@H](OC)C[C@H]2C(N)=O)n1 284639558 UKQHCFMHFAKIAV-QWRGUYRKSA-N 265.313 0.165 0 50 CCAA Cc1noc(C)c1CCCNC(=O)c1cncc(=O)[nH]1 426370921 IAZKPVRLVPERIG-UHFFFAOYSA-N 276.296 0.737 0 50 CCAA C[C@H](C(=O)NCc1csc(N(C)C)n1)N(C)C 426497114 YRRYMHWGNMYTKW-MRVPVSSYSA-N 256.375 0.775 0 50 CCAA CN(C)Cc1ccccc1C(=O)NCCc1cnn[nH]1 426635265 FRADPFCRSZNTPG-UHFFFAOYSA-N 273.340 0.839 0 50 CCAA COCCN1C[C@H](Cc2nccc(N(C)C)n2)CC1=O 244840199 UIKZMHHGGJUCCI-LLVKDONJSA-N 278.356 0.580 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)[C@@]1(F)CCNC1 299738756 GANXGTUPVUTBJU-GFCCVEGCSA-N 255.293 0.951 0 50 CCAA C[C@H]1C[C@@H]1CNS(=O)(=O)c1cccc(C(N)=O)c1 298804625 HHIKMIJNIHLRSQ-WCBMZHEXSA-N 268.338 0.720 0 50 CCAA Cc1cnc(CN2CCN(c3nc[nH]n3)CC2)c(C)c1O 253536995 SMHCEIIMMQVCLR-UHFFFAOYSA-N 288.355 0.844 0 50 CCAA Cc1c[nH]c(C(=O)N[C@H](C2CCNCC2)[C@H]2C[C@H](O)C2)n1 252535849 HALWSQKKWYFOSJ-JHJVBQTASA-N 292.383 0.587 0 50 CCAA COC(=O)c1cn(CCN2CCCC2)cc2c(=O)[nH]nc1-2 253412244 QHZUUCMPQYLGCJ-UHFFFAOYSA-N 290.323 0.559 0 50 CCAA CC(C)[C@H](NC(=O)CCCC(=O)O)c1ncnn1C 299771213 ULJHAZHJPYUFNI-NSHDSACASA-N 268.317 0.883 0 50 CCAA CC[C@H](NC(=O)COCC(N)=O)c1ccc(C)cn1 299778516 HKUDDNJJISICQG-JTQLQIEISA-N 265.313 0.459 0 50 CCAA COCCc1noc(CNC(=O)[C@H](C)SC)n1 299786716 PNLBNJBMMNQXGT-ZETCQYMHSA-N 259.331 0.626 0 50 CCAA C[C@H](C(=O)N(C)CCC1(O)CCCC1)N1CCN(C)CC1 584885761 XWXBESQRYKOXAD-CQSZACIVSA-N 297.443 0.776 0 50 CCAA COCCn1cnnc1CNC(=O)Cc1cccs1 584891451 RHJBTBFXSBHLHM-UHFFFAOYSA-N 280.353 0.845 0 50 CCAA CC(C)N1CCCN(C(=O)CN2CCC[C@@H](O)C2)CC1 584893524 CARAAGDBMNDVNG-CQSZACIVSA-N 283.416 0.386 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)NCc1cccnc1O)C2 1553521616 XNTJXJSDAMYVDU-GWCFXTLKSA-N 262.313 0.420 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)N[C@H]1CC[C@@H](N)CC1 952977024 OOMRJXICHCGQAH-SDDRHHMPSA-N 250.346 0.905 0 50 CCAA COC(=O)[C@@]1(C)CCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 407960279 VJVQZRUANFRKTQ-NHYWBVRUSA-N 296.367 0.847 0 50 CCAA O=C(Cn1cnc2sccc2c1=O)Nc1ccnnc1 1584669426 BUEMWFBVFWGCCQ-UHFFFAOYSA-N 287.304 0.887 0 50 CCAA C[C@H](CO)CN[C@H](C)c1cccc(S(N)(=O)=O)c1 86627982 CTKJGCBKFCDSKI-VHSXEESVSA-N 272.370 0.613 0 50 CCAA CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)CCc1nn[nH]n1 631567377 GDQOPNGRNQOODL-GHMZBOCLSA-N 278.360 0.218 0 50 CCAA Cc1noc([C@@H](C)OC(=O)c2cnc(C)[nH]c2=N)n1 584908084 LNCFTDBVZCRXOP-RXMQYKEDSA-N 263.257 0.807 0 50 CCAA CC(C)c1cc(N2CCO[C@H](C(=O)O)C2)nc(N(C)C)n1 557082741 TUACCLNJPRDJSE-NSHDSACASA-N 294.355 0.956 0 50 CCAA N=c1nc(N2CCO[C@@]3(CCOC3)C2)c2c([nH]1)CCCC2 645213168 GXXWQBKDDVQPQS-HNNXBMFYSA-N 290.367 0.764 0 50 CCAA CCCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1 120138 NMAWQGAZIWWCRM-UHFFFAOYSA-N 297.380 0.579 0 50 CCAA CCc1ccc(CN(C)C(=O)[C@H](N)[C@H](C)O)cc1 1506400316 CJJHFQNXTBUNHJ-GXFFZTMASA-N 250.342 0.916 0 50 CCAA CN1CCO[C@@H]2CCN(c3ncnc(N)c3Cl)C[C@@H]21 225474370 XMKFLQZSFIZZMS-DTWKUNHWSA-N 283.763 0.622 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2sc(NC)nc2C)C[C@@H]1O 213154541 VYUXEPLSSWFXNF-ZANVPECISA-N 299.396 0.841 0 50 CCAA O=C(NOCCN1CCCC1=O)C1SCCCS1 856045509 ZVWQZCXXHIIYQV-UHFFFAOYSA-N 290.410 0.853 0 50 CCAA CC(=O)N1CCCN(CC[C@@H]2COCCO2)CC1 1775979534 JRFFSHVTIZEUEQ-CYBMUJFWSA-N 256.346 0.346 0 50 CCAA CN1CC[C@@H]2CN(c3nccnc3C(=O)O)C[C@@H]2C1=O 1772807381 UJTVKVXNOXZUSN-BDAKNGLRSA-N 276.296 0.089 0 50 CCAA O=C(O)Cn1nnnc1CN1CCc2ccccc2C1 12377441 MXRMNFVWNCPLQF-UHFFFAOYSA-N 273.296 0.316 0 50 CCAA C[C@@H](NC(=O)CNC(N)=O)c1ccccc1-n1cccn1 153496196 DWJVYYZJZWFQRZ-SNVBAGLBSA-N 287.323 0.718 0 50 CCAA Cc1nc(O)c2c(n1)CN(c1ncnc3c1CN(C)CC3)C2 641687060 HZZXPPKRSXWRNS-UHFFFAOYSA-N 298.350 0.789 0 50 CCAA N[C@H]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 237852468 RTQAQHAHEYXQBC-LBPRGKRZSA-N 289.314 0.639 0 50 CCAA CCn1ncc(CN2CCC[C@](O)(CC(=O)N(C)C)C2)n1 818183959 FYBWIXVONUYRAW-AWEZNQCLSA-N 295.387 0.103 0 50 CCAA O=C1C[C@H]2COCCN2C(=O)[C@H](Cc2ccccc2)N1 1875290381 YZUMJDSNCZHZAO-STQMWFEESA-N 274.320 0.345 0 50 CCAA Cn1cnnc1C1CCN(c2ccnc3c2C(=O)NC3)CC1 1875310094 CSMAJUBCTKQYQY-UHFFFAOYSA-N 298.350 0.838 0 50 CCAA O=C(Cc1cc(O)nc(O)n1)NC[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1875314140 JEBKVFOMEPRNEG-VWNXEWBOSA-N 289.335 0.839 0 50 CCAA C[C@@H]1CC[C@@H](N2CCN(CCOCCO)CC2)C1 23280144 HXVIECWWFQJMOW-ZIAGYGMSSA-N 256.390 0.802 0 50 CCAA NC(=O)[C@]1(O)CCCN(C(=O)Cc2ccccc2Cl)C1 285502532 MIHWKEUUGHSMOT-AWEZNQCLSA-N 296.754 0.721 0 50 CCAA CN(C(=O)c1ccnc(O)c1)[C@H]1C[C@@H](C(=O)O)C1 659230588 RZBOOCYVFUMVSJ-DTORHVGOSA-N 250.254 0.722 0 50 CCAA CN(C)c1ccc(C(=O)NCCc2c[nH]cn2)cn1 78740855 WEGHZLNUKSUMCE-UHFFFAOYSA-N 259.313 0.843 0 50 CCAA CCOC[C@@H](O)CN1C(=O)[C@@H]2CCCCN2C1=O 330697352 KNZGUEJOBDIJGO-UWVGGRQHSA-N 256.302 0.201 0 50 CCAA Cc1ccc(NC(=O)N2CC(CO)(CO)C2)cc1 721440390 BZODYIDOOQIVPI-UHFFFAOYSA-N 250.298 0.814 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cccc(F)c1 534589515 PHIYMRJJYXTPES-RYUDHWBXSA-N 288.344 0.433 0 50 CCAA Nc1nc(CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)cs1 670439274 CSFHZHPFYPOXNG-JTQLQIEISA-N 294.380 0.743 0 50 CCAA Cn1cc(C(=O)NCC(=O)C2CC2)c([C@H]2CCCO2)n1 2325790172 VSJQTNDKMJFLKQ-GFCCVEGCSA-N 277.324 0.981 0 50 CCAA O=C(O)[C@H]1C[C@@H](O)CCN1C(=O)CCc1cccnc1 65464366 HLYBALOFKKSLHE-NWDGAFQWSA-N 278.308 0.451 0 50 CCAA COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1N 1422622 MSRAJCZQZJXDGV-JTQLQIEISA-N 284.337 0.595 0 50 CCAA O=C1NC[C@H]2CN(C(=O)c3cccc(-n4cnnc4)c3)C[C@@H]12 2356169859 JUQFUPQUZBJJEW-WCQYABFASA-N 297.318 0.085 0 50 CCAA O=S1(=O)CC[C@@H](NC(=S)Nc2ccc(O)cc2)C1 4754778 ITZADNPNBKBFAH-SECBINFHSA-N 286.378 0.866 0 50 CCAA CCOC(=O)CN(C)c1ncc(CN[C@@H]2CCOC2)cn1 55269900 OEKKORSRUMPHLZ-GFCCVEGCSA-N 294.355 0.354 0 50 CCAA C[C@H]1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 54799153 GQIYILFUQMDXQU-NSHDSACASA-N 288.413 0.917 0 50 CCAA CC1(C)O[C@H]2[C@H]3COc4nc(=O)ccn4[C@@H](O3)[C@@H]2O1 101365214 AZOHLNWZDQIBIJ-NEPJDUFXSA-N 266.253 0.053 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H](n2cc(CO)nn2)C1 409425901 NUYVNUCEBQUIDR-SNVBAGLBSA-N 268.317 0.952 0 50 CCAA Cc1nc(C(=O)NCCOc2nonc2C)cs1 65497240 SADSOAUCUXFPOL-UHFFFAOYSA-N 268.298 0.952 0 50 CCAA CN(C[C@@H]1COCCO1)C(=O)c1ccc2nccn2c1 219321134 VKOSKIVXWKOOCY-GFCCVEGCSA-N 275.308 0.822 0 50 CCAA CN(CC1CC1)C[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 328636273 NZJDZBDCMWKWPY-GFCCVEGCSA-N 278.356 0.593 0 50 CCAA CSc1ncc(CNC(=O)[C@H]2CC[C@@H](N)C2)n1C 72430838 HBIQUPZKDSTXGP-DTWKUNHWSA-N 268.386 0.886 0 50 CCAA Cc1nc[nH]c1-c1nccn1CCCc1nnn[nH]1 72131030 DCAQEURVZKPXIX-UHFFFAOYSA-N 258.289 0.728 0 50 CCAA COc1cccc2c1OCC[C@H]2NC(=O)C(=O)O 364164759 BYGNIAWUYMVZRN-MRVPVSSYSA-N 251.238 0.720 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 219289478 KHANWDLNVLXWLG-MNOVXSKESA-N 280.328 0.427 0 50 CCAA Cn1ccnc1CN(CCO)C(=O)CCc1ccncc1 215587704 RSWRDFKBMLFNHW-UHFFFAOYSA-N 288.351 0.769 0 50 CCAA CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1C 217005762 BGWDHOPQLLUJJT-RYUDHWBXSA-N 294.351 0.649 0 50 CCAA O=C(O)C[C@H]1CN(C(=O)/C=C/c2ccccn2)CCO1 238048994 IAFXWLXHNRQDHZ-ITKZLYELSA-N 276.292 0.797 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)CC(C)(C)O)N(C)C1 330583161 VADFIOWJWFACLP-QWRGUYRKSA-N 258.362 0.325 0 50 CCAA CN[C@@H](CO)C(=O)N1CCCN(c2ccccc2C)CC1 77488812 WNJOSFBWFLEGSE-AWEZNQCLSA-N 291.395 0.614 0 50 CCAA Cc1cc(N)n(CC(=O)NCc2ccc3nonc3c2)n1 215727207 RIYBPWYEUUVKQY-UHFFFAOYSA-N 286.295 0.626 0 50 CCAA COC[C@@H]1CN(C(=O)Cc2cnn(C)c2)CC(C)(C)O1 285651241 XUEBGFOHAWXFLX-LBPRGKRZSA-N 281.356 0.615 0 50 CCAA Cn1ncnc1CCNC(=O)[C@H]1CCC[C@@H](O)C1 222708809 FENNTPLIOJWYIC-VHSXEESVSA-N 252.318 0.025 0 50 CCAA CNC(=O)Cc1noc(CN2CCCC[C@H]2C(F)F)n1 337519943 OVMXKLWDDYHNKA-QMMMGPOBSA-N 288.298 0.978 0 50 CCAA Cc1cc(N(C)C)nc(N2CCN(C[C@H](C)O)[C@H](C)C2)n1 241644289 PPSOJJOAYZYLJI-OLZOCXBDSA-N 293.415 0.742 0 50 CCAA COc1cccc(F)c1C(=O)N[C@H](C(=O)O)[C@@H](C)O 88079685 FPYKUHGCFIVAHJ-LDWIPMOCSA-N 271.244 0.398 0 50 CCAA Cn1cc(-c2ncc(F)c(N3CCOCC3)n2)cn1 426536247 HLGHMTXNKANHDG-UHFFFAOYSA-N 263.276 0.853 0 50 CCAA CC[C@@H](CO)NC(=O)c1ccc2c(=N)[nH]cnc2c1 613777562 UFEGILCILDTJAF-VIFPVBQESA-N 260.297 0.543 0 50 CCAA C[C@@H](C(=O)NCCCc1nnc(N)s1)n1cccn1 426562811 CBHXERSTRRHPQY-QMMMGPOBSA-N 280.357 0.627 0 50 CCAA CC(=O)NC(C)(C)C(=O)NCc1nc(C)cc(C)n1 426405180 RPDSTWNQEZNMQR-UHFFFAOYSA-N 264.329 0.624 0 50 CCAA Cc1[nH]nc(C(=O)NC2CCN(CCO)CC2)c1Cl 426470671 OWQZOEGUBFUTSC-UHFFFAOYSA-N 286.763 0.558 0 50 CCAA O=C(Cn1ccc2ncccc2c1=O)N1CCSCC1 95501285 GTZQERRBPULHGB-UHFFFAOYSA-N 289.360 0.972 0 50 CCAA CCOCCN1CCN(C(=O)c2ncoc2C)CC1 97657142 HULMYFFDHOSODQ-UHFFFAOYSA-N 267.329 0.777 0 50 CCAA CN(CC(=O)N1CCCC[C@H]1C(=O)O)Cc1ccncc1 244748609 OKZYBNUMNNBCHP-ZDUSSCGKSA-N 291.351 0.979 0 50 CCAA CO[C@@H]1CN(Cc2ncc(C)cn2)C[C@H]1c1cnn[nH]1 621318220 TXVPOBVICNQVOE-CMPLNLGQSA-N 274.328 0.518 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@H]4[C@H]2[C@]2(F)[C@@H]([C@@H]43)[C@H]12 254669497 SIQCAIIBAJDPFO-DQCVXQQFSA-N 297.289 0.740 0 50 CCAA C[C@@H](OC[C@H]1CCCO1)C(=O)NC(C)(C)C(=O)O 299746907 BPCOBLFHFUJPEO-RKDXNWHRSA-N 259.302 0.550 0 50 CCAA CN(C)c1nc(=NCC2(CO)CCCC2)s[nH]1 534660281 HYKZYIDIJPHTGR-UHFFFAOYSA-N 256.375 0.991 0 50 CCAA CCN1C[C@H](NC(=O)CCCC(=O)O)[C@@H](OC)C1 534676228 HKJOCOCFDXSPDO-UWVGGRQHSA-N 258.318 0.077 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)CCCC(=O)O)C1 534649315 REOVSKQPZOUHLJ-NSHDSACASA-N 272.345 0.278 0 50 CCAA Cc1ccc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)nn1 299771497 PEZPDGMQDRIFHS-RYUDHWBXSA-N 272.312 0.727 0 50 CCAA Cc1cccnc1C[C@H](C)NC(=O)CCn1nnnc1C 299801104 VWWCKBJXANWDME-NSHDSACASA-N 288.355 0.822 0 50 CCAA O=S(=O)(NC1(CN2CCCCC2)CC1)N1CCCC1 828388634 RHBIDYGVVLSKJE-UHFFFAOYSA-N 287.429 0.935 0 50 CCAA CCc1noc(CCNC(=O)Cc2sc(N)nc2C)n1 823569285 DQYNCBDEPIPIEN-UHFFFAOYSA-N 295.368 0.881 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)NC(C)C 824466430 RDLIBXQMCFLLQM-VIFPVBQESA-N 255.322 0.693 0 50 CCAA C[C@H](CN1CCN(C)CC1)NCCc1nccs1 670472081 HVGUWUKRGPHALU-GFCCVEGCSA-N 268.430 0.911 0 50 CCAA Cc1nc([C@H](C)NC(=O)CCn2c(C)cccc2=O)n[nH]1 670453146 ZUAXUAHMSWJKKO-JTQLQIEISA-N 289.339 0.851 0 50 CCAA OC[C@H]1CCCN(CCCNc2nc[nH]c3ncnc2-3)C1 670466666 VNNVRNQGQLGJMH-NSHDSACASA-N 290.371 0.811 0 50 CCAA CS(=O)(=O)CCN[C@@H]1Cc2ccccc2NC1=O 1336783391 HJSYUUAYSURBNK-LLVKDONJSA-N 268.338 0.184 0 50 CCAA CCC(CC)(CO)CN(C)S(=O)(=O)c1cn[nH]c1 952974094 AGWAVQNORNIHHJ-UHFFFAOYSA-N 275.374 0.829 0 50 CCAA COC(=O)c1c(S(N)(=O)=O)c2ccccc2n1C 295802 BSGQLBGTUGJUIV-UHFFFAOYSA-N 268.294 0.612 0 50 CCAA NS(=O)(=O)c1ccc(F)c(C(=O)NC2CCC2)c1 78642654 WJSHRXMBEUTABU-UHFFFAOYSA-N 272.301 0.755 0 50 CCAA Cc1noc([C@H]2CN(CCC(C)(C)O)CCN2C)n1 408033708 AYLSBQOLFMVJPG-LLVKDONJSA-N 268.361 0.828 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)NCC1(O)CCOCC1 408388416 VJVVAHXTKYIQLR-NWDGAFQWSA-N 271.357 0.849 0 50 CCAA CN(CCO)CCN(C)c1ccc2nccnc2n1 691329381 XNCUWQMTLXEQFW-UHFFFAOYSA-N 261.329 0.385 0 50 CCAA CCOc1cncc(N2CC[C@@](O)(Cn3ccnn3)C2)n1 671466539 JVFIDPNXOKBCIH-ZDUSSCGKSA-N 290.327 0.108 0 50 CCAA CS(=O)(=O)c1ccc(N[C@@H]2Cc3cncn3C2)nc1 1647476550 RUPVUICICKGBTO-SECBINFHSA-N 278.337 0.718 0 50 CCAA Cc1nc(CC(=O)N2CCC([C@H](O)CO)CC2)cs1 1772709360 JBAHCOYZRDKKEN-GFCCVEGCSA-N 284.381 0.586 0 50 CCAA CCN(C[C@H]1CCCCO1)C(=O)c1n[nH]c(O)n1 1506419543 FFDYBSXFDSZTJV-MRVPVSSYSA-N 254.290 0.542 0 50 CCAA CN(C)[C@H](/C=C\c1ccccc1)CS(N)(=O)=O 1501070647 WJZRJFXLYOPLGY-JLVNDZCYSA-N 254.355 0.919 0 50 CCAA Cn1nc2c(c1NC(=O)CCn1cnnc1)CSC2 1529120877 QWUPYOHEWQJTEG-UHFFFAOYSA-N 278.341 0.787 0 50 CCAA CN1C[C@@]2(CCCN(Cc3cnn(C)c3)C2)OC1=O 1529092568 VEPOTSYQXPFCAC-CYBMUJFWSA-N 264.329 0.837 0 50 CCAA O=C(c1n[nH]cc1Cl)N(CCO)Cc1ncc[nH]1 1704331687 SJXHRKGXUIBESF-UHFFFAOYSA-N 269.692 0.421 0 50 CCAA CC(C)n1c(SCCO)nc2c1c(=O)[nH]c(=O)n2C 2475332 KRSYDQKEHARRLN-UHFFFAOYSA-N 284.341 0.089 0 50 CCAA COc1ccc(Cl)c(S(=O)(=O)NC2CNC2)c1 225497110 NNYPBFKXBOWQEP-UHFFFAOYSA-N 276.745 0.599 0 50 CCAA CCc1nc(CC(=O)N2CCO[C@@H](C(=O)O)C2)cs1 237034124 YGPFSZKWWDXLNR-SECBINFHSA-N 284.337 0.560 0 50 CCAA O=C(c1ccccc1S(=O)(=O)O)N1CCOCC1 1875362095 QVTDHYOQWJKYEO-UHFFFAOYSA-N 271.294 0.406 0 50 CCAA C[C@@]12C[C@H]1CN(c1cncc(C(=O)N3CCOCC3)n1)C2 1772809430 WMVQMHJUADSULM-NHYWBVRUSA-N 288.351 0.795 0 50 CCAA Cc1nonc1C(=O)N[C@H]1C[C@H]2CO[C@H](C(C)C)CN2C1 1857721030 WIVFRMHOAMWHEO-SRVKXCTJSA-N 294.355 0.606 0 50 CCAA CS(=O)(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857735714 HRUPZNOLICVJRA-MELADBBJSA-N 296.392 0.750 0 50 CCAA Cc1ccc(NC(=O)CN2CCCC[C@@H](O)C2=O)cn1 644401837 WPBBQFUCYQZPQG-GFCCVEGCSA-N 277.324 0.702 0 50 CCAA O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)c1cn([C@@H]2CCCNC2)nn1 333572538 MQJDRLMNNVWXTH-PRULPYPASA-N 291.355 0.252 0 50 CCAA OCc1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccn1 858389915 PTAUEQDBWHDDJZ-CABCVRRESA-N 277.368 0.609 0 50 CCAA COC(OC)[C@H](C)NC(=O)NCc1ccccc1CO 864095348 GLCKFRFGVYBLFW-JTQLQIEISA-N 282.340 0.986 0 50 CCAA C=CS(=O)(=O)CCC(=O)Nc1ccc(C(N)=O)nc1 952881980 SSVDRUUZSTXURI-UHFFFAOYSA-N 283.309 0.067 0 50 CCAA COc1ccc(C)nc1CN1CCn2c(O)nnc2C1 1875291859 NWBFTWYUSZCNKB-UHFFFAOYSA-N 275.312 0.712 0 50 CCAA CCn1nnc(C)c1Cn1c(=O)ccn(C2CC2)c1=O 1875280871 DLCBUIBLZLLXIE-UHFFFAOYSA-N 275.312 0.313 0 50 CCAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CS1 1875300965 XVKMPMKSABBBHT-SQXHDICFSA-N 271.338 0.486 0 50 CCAA CO[C@@H]1CN(c2nccnc2C)C[C@H]1c1cn(C)nn1 886080245 RDTKUVWBVKEPHE-CMPLNLGQSA-N 274.328 0.532 0 50 CCAA CCn1nnnc1NC(=O)CCc1cnn(C)c1C 891341434 ZZRQQVWWRUKGLI-UHFFFAOYSA-N 263.305 0.306 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@@H](n2[nH]nnc2=N)C1 1772716159 UFTPCMAHYBQORY-MRVPVSSYSA-N 268.321 0.658 0 50 CCAA O=C(NCc1nc(C(F)(F)F)cs1)[C@H]1COCCN1 237856358 CVPDTDJTXJUUCN-ZCFIWIBFSA-N 295.286 0.767 0 50 CCAA Cn1cc([C@@H]2CN(Cc3csnn3)CCO2)cn1 328682582 VSMIFGNJPBELFE-NSHDSACASA-N 265.342 0.845 0 50 CCAA CSC[C@H](NC(=O)CCn1nc(C)cc1C)C(=O)O 426628353 WUEUDYQBLAAHHB-JTQLQIEISA-N 285.369 0.822 0 50 CCAA Nc1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)s1 584891625 CHUYGEZPIYNQKN-UHFFFAOYSA-N 294.302 1.045 0 50 CCAA Cc1nc(CCN(C)S(=O)(=O)c2ccc(N)cc2)no1 285293572 GPOMQBJSECPDBM-UHFFFAOYSA-N 296.352 0.823 0 50 CCAA Cn1c2ccccc2n2nc(CCC(=O)O)c(=O)nc12 90507 WQMATHDFKQFLNF-UHFFFAOYSA-N 272.264 0.598 0 50 CCAA O=C(COc1ccccc1)N[C@H]1CCS(=O)(=O)C1 4155462 BWXNTDHKSXQTIP-JTQLQIEISA-N 269.322 0.369 0 50 CCAA CCN(CC)C(=O)CN1C(=O)[C@H]2CCC(=O)C[C@@H]2C1=O 100505540 HCVODTZKOAMLJM-QWRGUYRKSA-N 280.324 0.209 0 50 CCAA Cc1cc(C(=O)NCC2(Cn3cccn3)CC2)nc(N)n1 67473484 FQMAHQVUNCIFPH-UHFFFAOYSA-N 286.339 0.774 0 50 CCAA C[C@H](C(=O)N[C@@H]1CCN2CCCC[C@@H]12)n1cncn1 229387328 HTTKAWHYGRECSY-UTUOFQBUSA-N 263.345 0.582 0 50 CCAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NCCn1nc(O)ccc1=O 67675294 LWSOTLBSQCXQIG-WOPDTQHZSA-N 289.335 0.667 0 50 CCAA O=C(O)CCC[C@]1(c2ccccc2)NC(=O)NC1=O 71772426 UXTUBEHYQUEZBG-CYBMUJFWSA-N 262.265 0.976 0 50 CCAA COCc1noc(CN[C@H]2CCCC[C@H]2CO)n1 124849048 SRENMDNWPYTWEZ-UWVGGRQHSA-N 255.318 0.857 0 50 CCAA NC(=O)c1ncn([C@H]2CCCN(c3ccccn3)C2)n1 364527236 FOGZCZZUECUIPH-JTQLQIEISA-N 272.312 0.614 0 50 CCAA NCCc1cccc(CN2CCOC[C@H](CO)C2)c1 77298778 MQWFTFVXKUYOCM-HNNXBMFYSA-N 264.369 0.629 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N[C@H](C)C(=O)O)c1 261688848 MSTKYOCCPQGPRN-SSDOTTSWSA-N 261.303 0.215 0 50 CCAA O[C@@]1(CN2CCCCC2)CCN(Cc2ncc[nH]2)C1 77419666 LNVBFAZODKSKKB-CQSZACIVSA-N 264.373 0.832 0 50 CCAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CNC2CC2)C[C@@H](C)O1 237408206 XBMATRVRGHEEFX-NFAWXSAZSA-N 295.427 0.839 0 50 CCAA CN(C)c1cnn(CC(=O)N2Cc3ccccc3C2)c(=O)c1 95501735 GRXXNIIJFZASKX-UHFFFAOYSA-N 298.346 0.852 0 50 CCAA CCN1C[C@@H](C(=O)N(CC)CCn2cccn2)CC1=O 91487030 MYNHIVMPWWLNOC-LBPRGKRZSA-N 278.356 0.600 0 50 CCAA CS(=O)(=O)N[C@H]1CN(Cc2ncccn2)C[C@@H]1C1CC1 91255093 NSJRYTVICWYPSA-NEPJUHHUSA-N 296.396 0.236 0 50 CCAA Cc1cc(C)n([C@H](C)CNC(=O)c2ccn3nnnc3c2)n1 97813584 RGQQRFPXZYRVCD-LLVKDONJSA-N 299.338 0.929 0 50 CCAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1ccc(C(N)=O)cn1 237439614 JWAUKMZCBOVLHA-CABZTGNLSA-N 276.340 0.522 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@H]2CCCCNC2=O)c1C 96152154 NCFJJNAALAZBMA-LBPRGKRZSA-N 278.356 0.744 0 50 CCAA Cc1cccc2nc(CN3CCOC3=O)cc(=O)n12 95511417 GPPAMTXIQZXTGO-UHFFFAOYSA-N 259.265 0.955 0 50 CCAA CCn1cnnc1CN(C)C(=O)[C@H](C)Cn1cncn1 252509441 YNXCVSPKWFYCGD-SNVBAGLBSA-N 277.332 0.184 0 50 CCAA O=C(NC[C@@H](O)c1ccccc1F)[C@@]1(F)CCNC1 299739258 MLWQHTQGDQLVQJ-DGCLKSJQSA-N 270.279 0.677 0 50 CCAA CN(C)C1=N[C@H]2CCN(Cc3ccccc3)C[C@H]2C(=O)N1 255190795 ZNDPYMCCPVUIBW-KGLIPLIRSA-N 286.379 0.925 0 50 CCAA COC(=O)c1cn(Cc2ccccn2)cc2c(=O)[nH]nc1-2 253407372 JVAMTRJPWNEDDN-UHFFFAOYSA-N 284.275 0.906 0 50 CCAA CC[C@@H](NC(=O)CNC(=O)C(C)C)c1ncnn1CC 534657437 WZACYECPEFICOR-SNVBAGLBSA-N 281.360 0.638 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1 534666152 JFLNPZZEYLBGIB-LBPRGKRZSA-N 299.334 0.644 0 50 CCAA CC[C@@H](NS(=O)(=O)c1cn(C)cn1)c1ncnn1CC 534589485 ABWDAZQINMAMQM-SECBINFHSA-N 298.372 0.461 0 50 CCAA O=S(=O)(N[C@H]1COC[C@@H]1N1CCCC1)c1ccccc1 534584137 DZXCGAGYBCYDPL-KBPBESRZSA-N 296.392 0.828 0 50 CCAA O=C(NCCO)c1cc(Br)cc2nn[nH]c12 2325699976 LVCRVXKVWJEETA-UHFFFAOYSA-N 285.101 0.443 0 50 CCAA O=C(COCC(F)(F)F)N1CCC[C@@](F)(CO)C1 367805375 NFRSQIBUDNQZMK-VIFPVBQESA-N 273.226 0.888 0 50 CCAA CN(C)C(=O)CN[C@@H](CNC(=O)OC(C)(C)C)C1CC1 185229215 QWXZTFNBSJOHOF-NSHDSACASA-N 285.388 0.968 0 50 CCAA CCC[C@H](N)C(=O)NCCc1nncn1C(C)C 299776569 DCOVERSJSGIRIV-JTQLQIEISA-N 253.350 0.645 0 50 CCAA O=C(C[C@@H]1CNCCO1)NCCc1cn2ccccc2n1 299771549 QQBMZCAXZWXBSH-CYBMUJFWSA-N 288.351 0.372 0 50 CCAA Cc1nc([C@@H](C)NC(=O)c2cn3cccnc3n2)n[nH]1 561384233 WHQZUTXWOLSLRN-SSDOTTSWSA-N 271.284 0.647 0 50 CCAA O=C(CN1CCC[C@H](O)C1)NCC1(CN2CCCC2)CC1 828627366 HYOPTGAJZYBKNP-AWEZNQCLSA-N 295.427 0.435 0 50 CCAA COCCOC1CCN(CCn2cnnc2C)CC1 824445043 JSGPXTIWOORWCE-UHFFFAOYSA-N 268.361 0.714 0 50 CCAA Cc1nc([C@@H]2CCCN(C(=O)c3cnnc(O)c3)C2)n[nH]1 1412739916 FIGKVUNSTVRUQB-SECBINFHSA-N 288.311 0.629 0 50 CCAA O=C(c1cn2cccnc2n1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 1337251201 CARXXSOPQXSNJE-FPQZTECRSA-N 282.303 0.755 0 50 CCAA Cn1cc(C(=O)N[C@H]2CCN(CC(F)F)C2)nc1O 1434100427 UCUVIRAZUMYEPR-ZETCQYMHSA-N 274.271 0.195 0 50 CCAA CN1CCN(c2cc(N[C@@H]3CCCOC3)ncn2)CC1=O 185442531 TWFOFGBGXLBWFV-LLVKDONJSA-N 291.355 0.346 0 50 CCAA COCC(=O)N1C[C@@H](NC(C)=O)CC[C@H]1C(F)(F)F 408061962 XRNUCHVAVITLGL-IUCAKERBSA-N 282.262 0.691 0 50 CCAA O=S1(=O)CCN(c2nc(C(F)(F)F)ns2)CC1 408277540 QBVRLVYZONADKA-UHFFFAOYSA-N 287.288 0.792 0 50 CCAA O=C(N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)C1(O)CCOCC1 408318852 KEENGVGQQBUFQK-NNYUYHANSA-N 267.325 0.164 0 50 CCAA COC[C@H]1CN(C(=O)C2CC(C)(O)C2)C[C@@H](C)O1 408455949 FTASAMFCVYPUIM-YLXHPXFOSA-N 257.330 0.410 0 50 CCAA CCCCCS(=O)(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1 222303639 WZRZCBTVYOVVIU-NEPJUHHUSA-N 276.402 0.521 0 50 CCAA CN1CCN(C(=O)[C@H]2CCCCO2)C[C@H]1c1nccn1C 276824965 XTSSKQHPMHCBOZ-QWHCGFSZSA-N 292.383 0.804 0 50 CCAA CCc1nc(=NCc2ccc(OCCOC)nn2)s[nH]1 585092327 PMNSMVFUOJHWAJ-UHFFFAOYSA-N 295.368 0.950 0 50 CCAA COc1ccc(OCCCNC(=O)[C@H]2CNCCO2)cc1 187497301 UDBIIEOCCIRKCB-CQSZACIVSA-N 294.351 0.569 0 50 CCAA COC[C@@]1(C(=O)N(C)Cc2nccn2C)CCCN1 643774060 HLFNLARCQOMNHR-CYBMUJFWSA-N 266.345 0.147 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1ccn(C(C)C)n1 643824184 LROREFOTLGLAPX-CQSZACIVSA-N 280.372 0.930 0 50 CCAA COCC1(S(=O)(=O)N[C@@H]2CCC[C@H](C(=O)O)C2)CC1 646032357 CKTNXJIFRKPVTJ-VHSXEESVSA-N 291.369 0.728 0 50 CCAA Cc1nn(CC(=O)N2C[C@H]3CCC[C@H]3C2)c(=O)n1C 653691638 NISQPUNYLVVWNI-PHIMTYICSA-N 264.329 0.149 0 50 CCAA Cc1nc(Cn2nnc(C(=O)N3CCC[C@H]3C)c2C)no1 567047356 ITXTVOOHIBXKEV-MRVPVSSYSA-N 290.327 0.951 0 50 CCAA CCc1ocnc1C(=O)N[C@H](C(=O)O)C1CCOCC1 668308067 SOXQMCIYUNOXMA-JTQLQIEISA-N 282.296 0.847 0 50 CCAA Cn1nnc2c(C(=O)N3CC[C@]4(CCOC4)C3)ccnc21 669836790 XSIBQNJOOARUNM-AWEZNQCLSA-N 287.323 0.616 0 50 CCAA N[C@H]1C[C@@H](NC(=O)Cn2ncc3cccnc32)C12CCC2 1615555427 SYFGYWOOOSULRO-NWDGAFQWSA-N 285.351 0.817 0 50 CCAA Cc1nc(Cn2cc(CS(C)(=O)=O)nn2)cs1 1649933015 VHGGFCJDEGJODR-UHFFFAOYSA-N 272.355 0.636 0 50 CCAA CC1=C(C(=O)NCc2nnc3n2CCC3)OCCO1 1506412229 ARQVQNNZJONCGV-UHFFFAOYSA-N 264.285 0.119 0 50 CCAA Cc1cc(C)nc(CCN2C(=O)C[C@H]3NCC[C@H]32)n1 1857687913 LJHNWTVJDRWKMF-VXGBXAGGSA-N 260.341 0.599 0 50 CCAA CN1C[C@@H](O)[C@H](NC(=O)c2ccn(C(C)(C)C)c2)C1 1857690206 FNFMIKCUNCWCFZ-VXGBXAGGSA-N 265.357 0.648 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(O)c1)C2 1704305534 KTVWWZLKJFLOHX-KGLIPLIRSA-N 290.363 0.724 0 50 CCAA CC[C@H](C(=O)N1CCC(CNC)CC1)N1CCCC1=O 152249445 WACUQEKPHKSEOL-CYBMUJFWSA-N 281.400 0.845 0 50 CCAA O=C1CO[C@@]2(CCN(c3cnc4ccccc4n3)C2)CN1 1775982985 FVRAZFAQBWJAFB-HNNXBMFYSA-N 284.319 0.725 0 50 CCAA OCC[C@@H]1CCCCN1C[C@H](O)COC[C@H]1CCCO1 247729935 GMSIBAZBZPSFCX-SOUVJXGZSA-N 287.400 0.780 0 50 CCAA CC[C@H](CO)NC(=O)C(=O)NCCc1ccccc1 2857441 YRJAYWNXVCDQMA-GFCCVEGCSA-N 264.325 0.232 0 50 CCAA O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1nc[nH]c2nccc1-2 619071872 UHZBBDYYDGGXED-NXEZZACHSA-N 272.308 0.943 0 50 CCAA CN1CCN(C(=O)C2(O)CCCC2)C[C@H]1c1nccn1C 328633911 SVMUCJPWIGBGIY-LBPRGKRZSA-N 292.383 0.540 0 50 CCAA CCn1cc(CN2CCC[C@@H](O)[C@H]2C(=O)OC)cn1 249983819 YXIIZRLBNYDJNX-NEPJUHHUSA-N 267.329 0.401 0 50 CCAA Cn1nccc1CCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1 262685518 CDFKTLLTBBPASE-ZJUUUORDSA-N 265.313 0.722 0 50 CCAA Cn1cc(CN2CCOc3ccccc3[C@H]2C(=O)O)nn1 903929516 YXPFBSROMVSZML-ZDUSSCGKSA-N 288.307 0.835 0 50 CCAA O=C(CO)NC[C@@H]1CCCc2ccc(C(=O)O)cc21 909951992 UHTGEAKGTSDHQY-NSHDSACASA-N 263.293 0.913 0 50 CCAA O=C1CC[C@H](NC(=O)Cc2ccc3ncccc3c2)C(=O)N1 1859451814 NQMFHRGZZCGBMA-ZDUSSCGKSA-N 297.314 0.699 0 50 CCAA CCOc1ccc(C)cc1S(=O)(=O)NOCC(=O)O 1875255535 QLNZGAWGRJWMPB-UHFFFAOYSA-N 289.309 0.688 0 50 CCAA Cc1cc(O)nc(N2CC[C@H](NC(=O)[C@]3(C)C[C@@H]3F)C2)n1 1875278691 WHKPFDWDUGKTPI-PKFCDNJMSA-N 294.330 0.934 0 50 CCAA CC1CCN(S(=O)(=O)N2CC[C@@H]3CCNC[C@H]32)CC1 1875268562 ZMMSMBUMDAEKPX-QWHCGFSZSA-N 287.429 0.647 0 50 CCAA CN1C[C@@H](C(=O)O)N(C(=O)CCc2ccccc2)CC1=O 1775994679 WTFQHNHHRLXVSF-LBPRGKRZSA-N 290.319 0.373 0 50 CCAA C[C@]1(NC(=O)[C@H]2COCCO2)CCCC[C@@H]1C(=O)O 262716821 CXPDLTYYYDBNIB-BREBYQMCSA-N 271.313 0.552 0 50 CCAA CC(C)n1ccc(C(=O)N2CCOC[C@@H]2CC(=O)O)n1 263306960 ONXKVJUCMCPROY-JTQLQIEISA-N 281.312 0.780 0 50 CCAA O=C(O)[C@H]1CCCN(S(=O)(=O)NCC2=CCCC2)C1 663443439 DZUGHAQGAYEQKR-NSHDSACASA-N 288.369 0.728 0 50 CCAA NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)C1 292069612 XCVGDFRPKBKZRB-AYGWYOGXSA-N 264.325 0.037 0 50 CCAA Cc1cc(CN2C(=O)NC3(CCNCC3)C2=O)no1 77387176 AEIYXRHPLXIXQC-UHFFFAOYSA-N 264.285 0.157 0 50 CCAA CN(C)S(=O)(=O)CCCN1CCC[C@@]2(CCNC2)C1 420354125 BMIPIZSHKGINJI-ZDUSSCGKSA-N 289.445 0.343 0 50 CCAA CCN(Cc1cnnn1C)C[C@H](O)C(F)(F)F 330816471 CBQFDSNWUBNIKO-QMMMGPOBSA-N 252.240 0.560 0 50 CCAA CC(C)[C@@H](CNC(=O)c1cccc(N)n1)N(C)C 379151464 IWFRZBWTFICYIU-LLVKDONJSA-N 250.346 0.980 0 50 CCAA CC1CCN(C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 336614734 XEDYTMCVAXMBQO-NWDGAFQWSA-N 286.397 0.957 0 50 CCAA Cc1cc(S(=O)(=O)N2CCCC[C@@H](O)C2)c[nH]c1=N 2325794509 DXSYPJBOYDLQLQ-SNVBAGLBSA-N 285.369 0.338 0 50 CCAA OC[C@]12COCC[C@H]1CN(Cc1ccn3ncnc3c1)C2 2356133968 PXBKROWUUGXFSU-DZGCQCFKSA-N 288.351 0.560 0 50 CCAA O=C1NC[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@H]12 2356152984 LIHXXEILRGYRPK-NWDGAFQWSA-N 280.349 0.194 0 50 CCAA CC(C)c1nc(CCNC(=O)c2nc(=O)n(C)[nH]2)cs1 2356169936 MPFQRIIWXYQEMW-UHFFFAOYSA-N 295.368 0.661 0 50 CCAA CCOC(=O)C[C@@H]1C(=O)NCCN1C1CCCC1 55008580 NIRMRGKOYCQDGE-LLVKDONJSA-N 254.330 0.683 0 50 CCAA O=S(=O)(NCC[C@H]1CCCCN1)N1CCCC1 20255709 XWERCDFEUBONHO-LLVKDONJSA-N 261.391 0.449 0 50 CCAA CC(C)(CO)CCCN1C(=O)[C@H]2COCCN2C1=O 348856161 ZXRSRXUDZVZELT-SNVBAGLBSA-N 270.329 0.448 0 50 CCAA Cc1cc(N)n(CC(=O)N2[C@H]3CC[C@@H]2CCNC3)n1 65405755 ACIGKYPGXJYAST-MNOVXSKESA-N 263.345 0.127 0 50 CCAA O=C([C@@H](O)c1ccc(Cl)cc1)N1CCC(O)(CO)CC1 67878989 GFLJMJYEPMKSSM-LBPRGKRZSA-N 299.754 0.719 0 50 CCAA COCCCN1CCn2nc(CCC(=O)O)cc2C1 72435561 OUVXLGWTXDBXTI-UHFFFAOYSA-N 267.329 0.752 0 50 CCAA NCc1cc(=O)n2cc(Br)ccc2n1 218129625 FUUVLQXZVDOYSR-UHFFFAOYSA-N 254.087 0.916 0 50 CCAA NC(=O)[C@H]1COCCN1C(=O)Cc1coc2ccccc12 367594990 MXPCUVNSFLQJBT-GFCCVEGCSA-N 288.303 0.688 0 50 CCAA O=C(NCCC1(O)CCOCC1)[C@H]1[C@H]2OCCC[C@@H]21 367718488 YJBRNOFEHSITBU-UTUOFQBUSA-N 269.341 0.459 0 50 CCAA COc1cc(NCCCN=c2nc(C)[nH]s2)ncn1 521395276 PYHBECFAIQMBDF-UHFFFAOYSA-N 280.357 0.981 0 50 CCAA CC(=O)c1c(C)[nH]c(C(=O)NC[C@@](C)(O)C(=O)O)c1C 262426939 BEWDABXLKKATSB-CYBMUJFWSA-N 282.296 0.400 0 50 CCAA COC[C@@H]1CN(Cc2nccc(N)n2)CC(C)(C)O1 284584767 PPCCNAIRQRDQSO-JTQLQIEISA-N 266.345 0.685 0 50 CCAA COCc1nnc(C(=O)N(C)C[C@@]2(C)CCN(C)C2)o1 71758875 VYWXGWKSQBTCPN-ZDUSSCGKSA-N 282.344 0.630 0 50 CCAA C[C@@H]1OCC[C@@]12CN(C(=O)Cc1cncn1C)CCO2 527478761 DXHNRHDUMUQJTB-SMDDNHRTSA-N 279.340 0.369 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@H](C)CN2CCOCC2)cn1C 426658482 SNUJCEQKCXUMOH-LLVKDONJSA-N 293.367 0.144 0 50 CCAA Cc1nc(CCC(=O)N[C@@H](CC(=O)O)C(C)C)n[nH]1 426707227 NWAMMELZFYQZIQ-VIFPVBQESA-N 268.317 0.661 0 50 CCAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCOCC1 426498342 ACWHQWIXKIMDCX-GFCCVEGCSA-N 278.356 0.209 0 50 CCAA O=C(NCCn1cccc1)[C@H]1CCS(=O)(=O)C1 330945254 JUYVTLPIUYXMGD-JTQLQIEISA-N 256.327 0.039 0 50 CCAA CN(C)c1nsc(N2CC[C@@]3(O)CCNC[C@H]3C2)n1 95381958 YKCVEZAJFNARGB-CABZTGNLSA-N 283.401 0.155 0 50 CCAA Cc1nc(CNC(=O)[C@@H]2CCCCCN2C)n[nH]1 91695433 RLAKJKWRZBJERH-JTQLQIEISA-N 251.334 0.604 0 50 CCAA CCSCCC(=O)NCCc1nnc(N)s1 244816980 SSENTAXLCMTTCB-UHFFFAOYSA-N 260.388 0.922 0 50 CCAA O=C(CN1CCCC1=O)NCC[C@H]1CCCOC1 529595400 ABZVBZOXOSIJOL-LLVKDONJSA-N 254.330 0.542 0 50 CCAA CCc1ocnc1C(=O)NC[C@]1(C)CCC(=O)N1 622680024 OQLZSZSLXTULRH-LBPRGKRZSA-N 251.286 0.636 0 50 CCAA O=C1CCCCN1CC(=O)N1CCC[C@H]1Cn1ccnn1 299742844 IUXIWBPJUNMKBJ-LBPRGKRZSA-N 291.355 0.282 0 50 CCAA COc1ccc(CC(=O)NCc2nc(N)n[nH]2)cc1 534583209 LNTPZWPADRQCBY-UHFFFAOYSA-N 261.285 0.254 0 50 CCAA Cc1cnn([C@@H](C)CNS(=O)(=O)N2CCCC2)c1 534655141 MDRQXEITKCTEIF-NSHDSACASA-N 272.374 0.683 0 50 CCAA COCC1(C(=O)NCCN2CCC(CO)CC2)CCC1 534653646 HBOUOSUCIOXOMA-UHFFFAOYSA-N 284.400 0.624 0 50 CCAA Cn1cncc1C(=O)NCC1(Cn2cccn2)CC1 534589541 BYSNBQGDXVZCPE-UHFFFAOYSA-N 259.313 0.827 0 50 CCAA CS(=O)(=O)N1CCC(CNC(=O)c2ccon2)CC1 299626365 BTGVCGQUXLIZED-UHFFFAOYSA-N 287.341 0.076 0 50 CCAA Cc1nnnn1CCc1ncnn1-c1ccc2c(c1)OCO2 825297082 YOKSGWYMPFRGSZ-UHFFFAOYSA-N 299.294 0.534 0 50 CCAA CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](O)C2 823597158 IOUDDSWYYOYJST-JTQLQIEISA-N 279.340 0.225 0 50 CCAA COCc1nc(Cc2c(C)noc2C)n(CCO)n1 670466093 JLJLHYYIDHOGTE-UHFFFAOYSA-N 266.301 0.612 0 50 CCAA CC(C)C[C@@H]1CN(Cc2nc(C(N)=O)no2)CCO1 670437474 KEADLPHVAVWSAO-SECBINFHSA-N 268.317 0.415 0 50 CCAA Cc1nc(CCC(=O)N2C[C@H](C)[C@@](O)(C(C)C)C2)n[nH]1 1565505990 MHYAFCNOJROBFJ-HZMBPMFUSA-N 280.372 0.911 0 50 CCAA CN1CCN(C(=O)OC(C)(C)C)[C@H](CC(=O)O)C1=O 212697832 PJIIAUMIVWALKU-MRVPVSSYSA-N 272.301 0.539 0 50 CCAA CN1CC[C@@H](C(=O)NS(=O)(=O)c2cccs2)C1=O 170599408 WDPACHXEQWUASZ-ZETCQYMHSA-N 288.350 0.031 0 50 CCAA Cc1ncc(C(=O)N2C[C@H]3[C@H](N)CC[C@H]3C2)c(C)n1 186924211 YDBACHGWTLHNPC-CYZMBNFOSA-N 260.341 0.903 0 50 CCAA Cn1cnc2cncc(C(=O)NC[C@@H]3C[C@H](F)CN3)c21 638247943 MFOUCCNGLLVMNX-IUCAKERBSA-N 277.303 0.398 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)C[C@@H]1CN 638900234 FYMAYXUUKQLYQR-MDZLAQPJSA-N 274.368 0.635 0 50 CCAA O=C(CCc1ncc[nH]1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644230236 GVZBEOXRAZBDFN-UPJWGTAASA-N 292.383 0.446 0 50 CCAA Cc1nnnn1C[C@H](O)COCc1cccs1 193414490 DYLNLYBOSAJSMR-VIFPVBQESA-N 254.315 0.621 0 50 CCAA O=C(N1CCOCC1)N1CCN(c2ccccn2)CC1 202561 XFWNGRAQEZJWPM-UHFFFAOYSA-N 276.340 0.656 0 50 CCAA NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976038 MINUJESMSMNGKI-JTQLQIEISA-N 250.273 0.702 0 50 CCAA NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CC2)C1 328890496 RQTHHYFXNZMPCH-JLLWLGSASA-N 286.397 0.560 0 50 CCAA CNC(=O)CN(C)c1nc(N2CCCC2)nc(C)c1C 1704302686 BXVMRLRHEOGIQZ-UHFFFAOYSA-N 277.372 0.876 0 50 CCAA CCN1CCO[C@H](C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 247335185 VVCCSTXKOBZSOW-AGIUHOORSA-N 269.389 0.293 0 50 CCAA COc1cnc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)nc1 1704339566 MNAUERHYHTWXFP-ZWNOBZJWSA-N 287.323 0.315 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1nn(C)cc1Cl 861893834 HYOFIPBMLIYJQE-UHFFFAOYSA-N 270.720 0.334 0 50 CCAA CC(C)[C@H](O)C(=O)N1CCC(Cn2cncn2)CC1 365981834 MWPNTYVPHHLWIH-LBPRGKRZSA-N 266.345 0.534 0 50 CCAA OCC1(CO)[C@@H]2CN(Cc3ccccc3-n3cccn3)C[C@H]21 1772708536 BYJPUOLEKLTCKO-HUUCEWRRSA-N 299.374 0.905 0 50 CCAA Cc1cccn2ncc(C(=O)N[C@@H]3COCC[C@@H]3O)c12 1772707974 ZZFZHJOKWCOKQW-NEPJUHHUSA-N 275.308 0.522 0 50 CCAA O=C(CN1C[C@H]2CNC[C@@]2(CO)C1)NC1CCCCCC1 1772811312 SXJFBTUBBHAERF-CJNGLKHVSA-N 295.427 0.339 0 50 CCAA O=C(CN1CCCC1)N1CCC[C@@H](N2CCOCC2)C1 11874778 HLDOGYNFXGLECR-CQSZACIVSA-N 281.400 0.405 0 50 CCAA Cc1ccn(CCNC(=O)c2ccc3[nH]nnc3c2)n1 19146045 DSYRIFMVIBYINJ-UHFFFAOYSA-N 270.296 0.893 0 50 CCAA COC(=O)[C@H](N)Cc1cccc(S(C)(=O)=O)c1 205655962 GLWGFJCPJBRSCU-SNVBAGLBSA-N 257.311 0.133 0 50 CCAA CCOC(=O)N1CCN(C(=O)[C@H]2[C@@H]3CC[C@H]2CN3)CC1 1857684587 TZYNAXDCJCJNEC-SDDRHHMPSA-N 281.356 0.285 0 50 CCAA Cc1[nH]c(=N)nc(N2C[C@@H]3CNC(=O)C[C@@H]3C2)c1Cl 1857686369 SKYBZFDYDRMLIV-SFYZADRCSA-N 281.747 0.423 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCOC[C@@H]1O 706782871 OQBWOQSDGCWZKZ-STQMWFEESA-N 281.356 0.236 0 50 CCAA O=C(C[C@@H]1CCCCO1)Nc1ccn([C@@H]2CCNC2)n1 328614292 AFUONWMGPDZCLJ-NEPJUHHUSA-N 278.356 1.315 0 50 CCAA O=C(Cc1nc[nH]n1)N1CCCC[C@@H]1CN1CCOCC1 631221418 GIJQZRWXXVYMMW-GFCCVEGCSA-N 293.371 0.061 0 50 CCAA CCn1cc(NC(=O)[C@H]2Cn3c(C)nnc3CN2C)cn1 644294136 LFCJGTLFEPSQAZ-LLVKDONJSA-N 289.343 0.256 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1N1C(=O)N[C@H](C2CCC2)C1=O 1875291363 WMXXJVWJESJLMT-OVYXKVPISA-N 265.313 0.374 0 50 CCAA CC(C)[C@H](C(=O)N(C)[C@H](C)C(=O)O)N1CCCC1=O 262886126 MOICBYSECRULMV-MWLCHTKSSA-N 270.329 0.565 0 50 CCAA CC(C)n1ccc(CC(=O)N2CCOC[C@@H]2CC(N)=O)n1 822126142 TZYLGAKHASVZTE-LBPRGKRZSA-N 294.355 0.109 0 50 CCAA C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)nc1)N(C)C 823615690 VIFJVXYVDWVJFJ-VIFPVBQESA-N 285.369 0.165 0 50 CCAA CC[C@H]1CN2CCC[C@H]2CN1C(=O)CCc1cnn(C)n1 826683773 CBPSALYKEMPKFU-KBPBESRZSA-N 291.399 0.833 0 50 CCAA CC[C@H](N[C@@H]1CCC[C@@H]1OC)C(=O)N1CCOCC1 864235489 ZSJPZECRLSYPMX-XQQFMLRXSA-N 270.373 0.781 0 50 CCAA CCOC(=O)[C@]1(C)CN(c2cc(C)nc(N)n2)CCO1 866124062 PIKOHLZXRUHJON-ZDUSSCGKSA-N 280.328 0.526 0 50 CCAA C=CC(=O)N1CCC(C(=O)N(C)C[C@H](O)CF)CC1 1875369745 DXPYSKWIHPBHRQ-LLVKDONJSA-N 272.320 0.200 0 50 CCAA CN(C(=O)Cn1nc2n(c1=O)CCCC2)c1ccon1 892458927 NOZICCASLQCXEL-UHFFFAOYSA-N 277.284 0.032 0 50 CCAA COc1ccnc(N[C@H]2C[C@@H](O)[C@@H]2n2cc(C)cn2)n1 1775959005 AIIVARQBLHBNSU-HOSYDEDBSA-N 275.312 0.777 0 50 CCAA Cn1nccc1S(=O)(=O)N1CCCC[C@@H]1c1nnc[nH]1 294409663 MNLPUYJTPRUSSE-SECBINFHSA-N 296.356 0.454 0 50 CCAA CC(C)c1noc(CN(C)C(=O)c2ncn[nH]2)n1 67447418 HKHQDVRENVDSOY-UHFFFAOYSA-N 250.262 0.583 0 50 CCAA CCn1nc(C(=O)N2CCC[C@@](O)(CO)C2)cc1C 72143892 HPGJNTPFJMHXLI-ZDUSSCGKSA-N 267.329 0.171 0 50 CCAA Cc1cc(C(=O)N2CC[C@](O)(CO)C2)ccc1F 313650516 ZEGQOVLLHBBNNR-CYBMUJFWSA-N 253.273 0.703 0 50 CCAA O=S(=O)(CC1CCCC1)NC[C@]1(O)CCCNC1 426399402 KZUKRXDPYWWQSH-LBPRGKRZSA-N 276.402 0.211 0 50 CCAA N=c1n(CCO)c2ccccc2n1CCN1CCOCC1 4635706 JVBCUOSSDOKIEW-UHFFFAOYSA-N 290.367 0.247 0 50 CCAA C[C@@H](Nc1ccnc2c1cnn2C)C(=O)N1CCOCC1 341849741 YGIZWNGKMGCRLM-SNVBAGLBSA-N 289.339 0.628 0 50 CCAA COc1ccccc1CCNC(=O)CN1CCOCC1=O 225729799 XRCREOAONXXHAD-UHFFFAOYSA-N 292.335 0.213 0 50 CCAA CC(=O)N1C(=S)NC(=O)/C1=C1/C(=O)Nc2ccccc21 100501011 KNGZESOELVHLJA-KTKRTIGZSA-N 287.300 0.613 0 50 CCAA O=C(NCCCN1CCOCC1)c1ccc2nccn2c1 68510632 KZLKFVSYTFKQOP-UHFFFAOYSA-N 288.351 0.786 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@H](O)C[C@H]1C(=O)O 37449509 GXYPRIBNDDKWRH-PWSUYJOCSA-N 295.339 0.016 0 50 CCAA Cc1nc(CN2CCN(C[C@@]3(O)CCNC3)CC2)cs1 77486046 VXQWAFKLHFMTNG-CQSZACIVSA-N 296.440 0.294 0 50 CCAA O=C(NCC1(C2CC2)CC1)N1CCN2C(=O)NC[C@@H]2C1 152326267 PHNYIQXADIHPRY-LLVKDONJSA-N 278.356 0.596 0 50 CCAA CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NCCO 218280905 TUKZUHMHTQRVBS-LLVKDONJSA-N 298.412 0.736 0 50 CCAA Cn1nc(C(=O)N2CCOC[C@@H](CO)C2)c2c1CCCC2 77437070 BEMYCQYDRZCEIU-LLVKDONJSA-N 293.367 0.380 0 50 CCAA O=C(Cn1cn[nH]c1=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21 156353361 YLALRIIYZMLXQV-YRGRVCCFSA-N 284.319 0.274 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCC(=O)N[C@H]1C 282219355 UIVNBANBGSRBCI-KWQFWETISA-N 294.355 0.199 0 50 CCAA N[C@@H]1CCCN(CC(=O)OCc2ccccc2)C1=O 78917934 LISRQAXMDVGWHT-GFCCVEGCSA-N 262.309 0.680 0 50 CCAA O=C(C[C@H]1COCCN1)NCCN1CCc2ccccc21 72157017 BHNGJHSKBISIOI-AWEZNQCLSA-N 289.379 0.544 0 50 CCAA CN1C[C@]2(CCN(C(=O)CCCn3cncn3)C2)OC1=O 72146737 ZYMQZJOIFGYTSU-ZDUSSCGKSA-N 293.327 0.111 0 50 CCAA O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1Cc1ccncc1 225590773 HTMHCYIBYXFDHW-KKOKHZNYSA-N 258.277 0.744 0 50 CCAA CN1C[C@@H]2[C@@H](CCCN2C(=O)Cc2ccn[nH]2)C1=O 285894777 JLXOMCTWSBGFDH-GHMZBOCLSA-N 262.313 0.031 0 50 CCAA NC(=O)c1cc(F)ccc1OCC[C@@H]1CCNC1=O 530122038 RKEZCPSKAWIPQN-QMMMGPOBSA-N 266.272 0.830 0 50 CCAA Cn1cc([C@@H](CO)Nc2ncnc3[nH]c(=N)ccc23)cn1 341337514 XHAAXEOXLCYANM-SNVBAGLBSA-N 285.311 0.316 0 50 CCAA Cc1nn(CCC(=O)NCCc2nncn2C)c(C)c1C 222636458 KXZXBTSGJQKIAW-UHFFFAOYSA-N 290.371 0.686 0 50 CCAA Cc1ccc(-c2noc([C@@H](N)CCCCN)n2)nn1 95509966 LRGRYHPXNUQFMM-VIFPVBQESA-N 262.317 0.964 0 50 CCAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cn2ccsc2n1 91934962 WBBWVLCIINREBG-SSDOTTSWSA-N 283.334 0.436 0 50 CCAA CC(C)(CO)CNC(=O)NC[C@@H](O)c1cccc(O)c1 426535270 WQINACQWWZOFIG-GFCCVEGCSA-N 282.340 0.743 0 50 CCAA Cc1ccc(-c2noc([C@H](C)n3cnnn3)n2)nn1 95519247 QGLWLIMGKGPGQU-ZETCQYMHSA-N 258.245 0.431 0 50 CCAA c1ncc(-c2cn(CCSc3cnn[nH]3)nn2)cn1 95366392 QTFGJQJRLHFFCV-UHFFFAOYSA-N 274.313 0.646 0 50 CCAA C[C@]1(O)CCN(C(=O)c2ccc(O)c(F)c2)C[C@@H]1O 96150056 ZTPDZMNGUZTIJU-AAEUAGOBSA-N 269.272 0.489 0 50 CCAA COC(=O)[C@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C 98088299 SCKQPFVBRJQINF-DTWKUNHWSA-N 259.302 0.920 0 50 CCAA C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cnn(C)c1 299609939 OFDYBXVXTQFEJL-LLVKDONJSA-N 295.364 0.996 0 50 CCAA O=C1CCc2c1cccc2C(=O)N[C@H]1CCCNC1=O 534673778 WBDLHSWWRQVXKY-LBPRGKRZSA-N 272.304 0.824 0 50 CCAA COCCn1cnnc1CNC(=O)[C@]1(C)CCCCO1 299792870 HEDZEUGLVZEVEL-ZDUSSCGKSA-N 282.344 0.500 0 50 CCAA CCn1c(C)ccc(C(=O)N[C@@H]2CCN(C)C2=O)c1=O 584900810 HGTHUUXSFDHHEB-LLVKDONJSA-N 277.324 0.137 0 50 CCAA CC(C)n1cnnc1CCNC(=O)Cn1ccccc1=O 584896104 OSUVDVIWKLNAGZ-UHFFFAOYSA-N 289.339 0.380 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1c[nH]c(=O)cn1 584897983 NJDWYJYHQNESNC-LURJTMIESA-N 261.285 0.601 0 50 CCAA CC(C)n1cnnc1CCNC(=O)c1cn2cccnc2n1 584899912 LBPQHKXBMIFVIW-UHFFFAOYSA-N 299.338 0.874 0 50 CCAA CCS(=O)(=O)CC(=O)NCCCC[C@@H]1CCCO1 670473744 IUSYRPBRKSQQQL-LLVKDONJSA-N 277.386 0.887 0 50 CCAA CC(C)C1=NO[C@H](C(=O)NCCn2ccnn2)C1 952867842 TXVUTQTXIOLDTG-JTQLQIEISA-N 251.290 0.195 0 50 CCAA Cc1ncn(C)c1C(=O)N[C@H]1CCC[C@@H]1N(C)C 1565510718 IRLFMKLIXFEFMG-QWRGUYRKSA-N 250.346 0.941 0 50 CCAA CN1CCO[C@H](C(=O)Nc2cn(C)nc2C(F)(F)F)C1 407974152 LYKLYUKYJMOCKI-QMMMGPOBSA-N 292.261 0.708 0 50 CCAA O=C(O)c1cccc(Cn2nnn(C3CC3)c2=O)c1 584167388 DKZARFOHKGCSJN-UHFFFAOYSA-N 260.253 0.521 0 50 CCAA CCn1nc(C)cc1NC(=O)c1ccc2c(c1)B(O)OC2 585011156 CTEXLZIZUXTDBG-UHFFFAOYSA-N 285.112 0.681 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)NCc1nccc(N)n1 189958888 YHGGCPTYVXYPSN-IUCAKERBSA-N 250.302 0.490 0 50 CCAA Cc1ncc(CN2CCC[C@@](O)(CC(=O)N(C)C)C2)cn1 643755391 SVLMSQZWQGJUOJ-OAHLLOKOSA-N 292.383 0.590 0 50 CCAA CCC(CC)(C(=O)O)C(=O)N[C@H]1CCN(C(N)=O)C1 653305578 PSDKHIUKMVHDCR-QMMMGPOBSA-N 271.317 0.147 0 50 CCAA C[C@@H]1COCCN1CCNC(=O)c1ccnn1C(F)F 668255097 RBCHVWRSVMROBL-SECBINFHSA-N 288.298 0.729 0 50 CCAA CC(C)(O)CONC(=O)[C@@H]1CSCCS1 788220153 QQCBIBPMDMDZSK-ZETCQYMHSA-N 251.373 0.654 0 50 CCAA CC(C)(CS(=O)(=O)N1CCNC(=O)C1)C(F)(F)F 1615586306 SXBFCNHDGZFCDI-UHFFFAOYSA-N 288.291 0.337 0 50 CCAA C[C@@H](C(=O)NCC1CCN(CCO)CC1)N1CCCCC1 1506415803 AKCVTAHBWUVMHM-AWEZNQCLSA-N 297.443 0.681 0 50 CCAA COc1ccc(Cl)cc1[C@@H](C(=O)O)N(C)CC(N)=O 1506431524 NPXRMKPSMSKZLE-NSHDSACASA-N 286.715 0.891 0 50 CCAA CN1CCC[C@]2(CO)CCN(C(=O)c3cn[nH]c3)C[C@@H]12 1704342410 BRAIVOKWJVIETB-TZMCWYRMSA-N 278.356 0.329 0 50 CCAA CCN(CC(=O)N1C[C@H](C)O[C@@H](C)C1)CC(C)(C)O 228266023 QBUSQODOCJJTSI-RYUDHWBXSA-N 272.389 0.715 0 50 CCAA CCC(C)(C)OC[C@H](O)CN1CCN(CCO)CC1 20819685 ASMNSGPPNDPFAZ-CYBMUJFWSA-N 274.405 0.162 0 50 CCAA CN(C)C(=O)CN1CCN(c2ncnc3cc[nH]c23)CC1 1772808039 FUEIQHWDGLKRJA-UHFFFAOYSA-N 288.355 0.168 0 50 CCAA COc1ccc(C[C@@H]2CN(S(C)(=O)=O)CCO2)cc1 11873127 VLRXHVYFYMTQHX-CYBMUJFWSA-N 285.365 0.898 0 50 CCAA N[C@@H]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 237930039 RTQAQHAHEYXQBC-GFCCVEGCSA-N 289.314 0.639 0 50 CCAA O=C(c1cc(Cl)c[nH]1)N1CCOC[C@H]1c1nc[nH]n1 375271423 ZILFQPMOZUIRNW-VIFPVBQESA-N 281.703 1.000 0 50 CCAA Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)O)nn1 390805311 ZFKJKWYARVXWHZ-ZETCQYMHSA-N 256.262 0.466 0 50 CCAA CC(C)C[C@@H](NC(=O)C1=C2CCN=C2NC=C1)C(=O)O 900453868 OBPOTMNQPSNURH-LLVKDONJSA-N 277.324 0.818 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)Cc1ccc(Cl)cn1 852942443 JLUBLCBGXLHSDN-JTQLQIEISA-N 284.699 0.590 0 50 CCAA O=C(NC1CC(C(=O)O)C1)c1cc2c(o1)CCCNC2 1875279937 LZTVRRINCRTHTC-UHFFFAOYSA-N 278.308 0.908 0 50 CCAA C[C@H](ONC(=O)C1OCCCO1)c1ccncc1 1875311496 BRTQZOMULQTAEE-VIFPVBQESA-N 252.270 0.953 0 50 CCAA O=C(Nc1ccnnc1)c1ccn2c1CS(=O)(=O)CC2 1875312273 JRXPUAANCUZRFT-UHFFFAOYSA-N 292.320 0.459 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@H]1CCC[C@@H](N)C1 237135421 TULLAPYRDNQTST-NWDGAFQWSA-N 267.373 0.585 0 50 CCAA CN(C)c1ccncc1CN[C@H]1C[C@@H](O)[C@@H]1n1cccn1 888076318 YUYQIYCPORKRMK-NWANDNLSSA-N 287.367 0.808 0 50 CCAA C[C@@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccncn1 1775959654 NBVLGADUAAXZHI-GWNIPJSYSA-N 259.313 0.698 0 50 CCAA O=C(C1CN(C2CCOCC2)C1)N1CC(OC(F)F)C1 897494150 MLZWMCQPVKMSDF-UHFFFAOYSA-N 290.310 0.547 0 50 CCAA Cc1nn(C)cc1CNc1nc(N)nc2[nH]ncc12 32561792 NBJYGAUDRRFKIK-UHFFFAOYSA-N 258.289 0.589 0 50 CCAA CCc1ocnc1C(=O)N1CCO[C@@H](CC(=O)O)C1 262826976 RPFCWWNZXRAZED-QMMMGPOBSA-N 268.269 0.553 0 50 CCAA CCc1nnc(CN2CCC[C@]2(COC)C(=O)O)n1C 643877880 CLVBKULOOCHSGH-ZDUSSCGKSA-N 282.344 0.443 0 50 CCAA CCn1nccc1CN1CCC[C@]1(COC)C(=O)O 692337861 WBCNEFWEOLAIKJ-ZDUSSCGKSA-N 267.329 0.969 0 50 CCAA CCN(CC(F)F)C(=O)[C@H]1CC[C@H](C(=O)O)NC1 2325756225 WWMNGKOEPKUTKI-JGVFFNPUSA-N 264.272 0.553 0 50 CCAA CC1(C)CC(C(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)=NO1 2325786802 FAMYPLCPZMJTLB-QMMMGPOBSA-N 293.327 0.771 0 50 CCAA CC1=C(C(N)=O)[C@@H](c2ccc(O)cc2)N2NN=NC2=N1 71618 HTSFSWMTQBUBTH-SNVBAGLBSA-N 272.268 0.750 0 50 CCAA O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 1530947 UEJJHQNACJXSKW-VIFPVBQESA-N 258.233 0.088 0 50 CCAA fda COCCNC(=O)c1ccc(C(=O)NCCOC)s1 2873192 ZSRUYTSQCDWQMB-UHFFFAOYSA-N 286.353 0.501 0 50 CCAA Cn1[nH]cnc1=NCCNC(=O)c1cnc2ccccc2n1 2356161053 DKOYOPBERNCCGA-UHFFFAOYSA-N 297.322 0.022 0 50 CCAA O=C(O)[C@@H](CC(=O)N1CCOCC1)NCc1ccccc1 4196676 QXEFQQLLEWBZKM-CYBMUJFWSA-N 292.335 0.478 0 50 CCAA CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O 4787345 IEHDJWSAXBGJIP-RYUDHWBXSA-N 264.325 0.782 0 50 CCAA endogenous,in-man COC[C@H](O)CN(C)c1ncnc2oc(C)nc12 55403697 MYZHSCDFDDXHFG-MRVPVSSYSA-N 252.274 0.370 0 50 CCAA CCn1ncc(CN2CCN(C)[C@H](CCO)C2)c1C 22851293 DWKRTDRQBMPCHZ-CQSZACIVSA-N 266.389 0.710 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(S(C)(=O)=O)C1 347909917 AJNQSFAPCMUPGU-QWRGUYRKSA-N 262.375 0.131 0 50 CCAA CS(=O)(=O)CCNS(=O)(=O)CC1CCCC1 178301918 ZXPGTMDCPXHIKS-UHFFFAOYSA-N 269.388 0.141 0 50 CCAA O=C(NC[C@H]1CCNCC1(F)F)c1ncccc1O 423697789 LHDZZFDMPOFPLS-MRVPVSSYSA-N 271.267 0.762 0 50 CCAA O=C(O)C[C@@H]1NC(=O)N(CCc2ccc(F)cc2)C1=O 218713873 BTAUBDFQQPBGEY-JTQLQIEISA-N 280.255 0.763 0 50 CCAA CN(C(=O)C1CCOCC1)[C@@H]1CC(C)(C)OC1=O 328592283 GQZJZZIDLWEZKR-SNVBAGLBSA-N 255.314 0.966 0 50 CCAA O=C(CN1CCc2ccccc2C1)N1CCOC[C@@H](O)C1 77516242 ACGOACISUFTDSB-HNNXBMFYSA-N 290.363 0.264 0 50 CCAA CCNC(=O)N1CC[C@@H](N2C(=O)N3CCC[C@@]3(C)C2=O)C1 335963353 UNNXHWQRMRKTDY-YGRLFVJLSA-N 294.355 0.607 0 50 CCAA CN(C)C(=O)NCC(=O)N[C@H](CC(=O)O)c1ccccc1 217201259 XCOPJEKKHPUBLP-LLVKDONJSA-N 293.323 0.590 0 50 CCAA Cc1nonc1CC(=O)NCc1n[nH]c2c1CCC2 215285754 BABISXSDDGDRKN-UHFFFAOYSA-N 261.285 0.449 0 50 CCAA Cc1ccccc1CN1CCN(C(=O)[C@@H](C)N)CC1 261890494 TVUMOJUVMQPOMS-CYBMUJFWSA-N 261.369 0.986 0 50 CCAA O=C(CCNC[C@@]1(O)CCNC1)Nc1ccccc1 77375884 SHRWNQUUCCWPNF-AWEZNQCLSA-N 263.341 0.329 0 50 CCAA NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCC2 173033481 QXKRQQPAWURGCZ-UHFFFAOYSA-N 268.338 0.329 0 50 CCAA CCO[C@H]1CN(Cc2ccc(C(=O)O)cc2)C[C@@H]1O 218516240 OBKILDZFGAIJIM-STQMWFEESA-N 265.309 0.966 0 50 CCAA CCNC(=O)NCCNS(=O)(=O)c1ccccc1CC 521394437 BREPEPSPCCUYEG-UHFFFAOYSA-N 299.396 0.846 0 50 CCAA COc1ccc(F)cc1C(=O)N1CCO[C@H](C(=O)O)C1 263028951 UJNLDFMCZRYBCA-NSHDSACASA-N 283.255 0.760 0 50 CCAA O=C(O)C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CCO1 238058049 AGJQAZHPTRGKTD-VIFPVBQESA-N 279.296 0.603 0 50 CCAA CC(C)[C@H](CC(=O)O)NC(=O)c1cnc(O)cc1O 223485536 BPYJPMZTUFEPLA-QMMMGPOBSA-N 268.269 0.722 0 50 CCAA CC1CCN(S(=O)(=O)N(C)c2ccn(C)n2)CC1 340973401 IPUVAYPOFBSRSY-UHFFFAOYSA-N 272.374 0.833 0 50 CCAA COCCCN1CC[C@@H](CNc2ncncn2)C1 223821804 PGBFXDAIDLJNHF-NSHDSACASA-N 251.334 0.642 0 50 CCAA CNC[C@H]1CCCN1c1ccc(S(N)(=O)=O)cc1 133322403 BVLBFZSXKJZIBJ-LLVKDONJSA-N 269.370 0.522 0 50 CCAA C[C@@]1(C(=O)O)CCCN1C(=O)CCc1cnccn1 426396383 HMNDYZLULSQORG-ZDUSSCGKSA-N 263.297 0.875 0 50 CCAA CN(C)Cc1cccc(C(=O)NCCn2ccnn2)c1 426661205 IMLBDZJJPDLBOC-UHFFFAOYSA-N 273.340 0.770 0 50 CCAA CN1CC[C@@]2(CCN(S(=O)(=O)c3ccco3)C2)C1 292064932 PEKSZVOQJHWXBE-GFCCVEGCSA-N 270.354 0.996 0 50 CCAA O=C(CCc1cnccn1)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 616775802 ZVDBPBIEVNWSSZ-OUCADQQQSA-N 287.323 0.096 0 50 CCAA Cc1ccc(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)o1 91434489 MOPYJSIWOHOFNG-JTQLQIEISA-N 279.296 0.235 0 50 CCAA CCC[C@@]1(CO)CCCN(C(=O)CCNC(C)=O)C1 91593740 BHANANCAECYLHW-CQSZACIVSA-N 270.373 0.914 0 50 CCAA CCCc1cc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)[nH]n1 91817950 RATPXZMYRISZFZ-STQMWFEESA-N 281.356 0.973 0 50 CCAA C[C@H](CNC(=O)c1ccc(F)cn1)CN1CCOCC1 182462060 XUKYFKTYADITIH-LLVKDONJSA-N 281.331 0.919 0 50 CCAA Cc1cc(F)ccc1C(=O)NC[C@@H]1CCNC[C@H]1O 534675435 SCQBOOFCALZJRN-GXFFZTMASA-N 266.316 0.834 0 50 CCAA NC(=O)NCC(=O)NC[C@H]1CCN(C2CCCCC2)C1 534657439 CVYAAWDZKAZMJH-LLVKDONJSA-N 282.388 0.426 0 50 CCAA Cc1nonc1N1CCN(C(=O)c2c(C)noc2C)CC1 299778661 QQURGEMLIXJJKV-UHFFFAOYSA-N 291.311 0.945 0 50 CCAA COCCN1C(=O)N(C(C)C)C(=O)C12CCNCC2 299767488 HEPLLOXLWYZBBZ-UHFFFAOYSA-N 269.345 0.428 0 50 CCAA Cc1cc(C)cc(-n2nc(CC(N)=O)nc2[C@@H](C)O)c1 826842437 RNCYWHCJBXRWEA-SNVBAGLBSA-N 274.324 0.965 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)CNC(=O)N(C)C 822619890 CQMXEURCLXHQFP-JTQLQIEISA-N 267.333 0.049 0 50 CCAA CCCOC[C@@H]1CCN(C(=O)CCn2cnnn2)C1 584903323 LTWHFKGXDKVSNU-LLVKDONJSA-N 267.333 0.338 0 50 CCAA COCC[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CCO1 670459279 YXMNMAVXIOMTQW-GFCCVEGCSA-N 281.356 0.833 0 50 CCAA COc1cc(C(=O)NCCN2CCCC[C@@H]2CO)ccn1 670470427 OQBOODSIMTXXHE-CYBMUJFWSA-N 293.367 0.667 0 50 CCAA C[C@H](Cn1cncn1)C(=O)N1CCc2nocc2C1 670443570 KMZYEHTZPCYGPV-SECBINFHSA-N 261.285 0.487 0 50 CCAA COc1nnc(CN(C)[C@]2(CO)CCOC2)s1 1335749929 WOCWAMVQFLUJSU-JTQLQIEISA-N 259.331 0.130 0 50 CCAA Cc1nccc(N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)n1 1551457797 ARTCWRHXBAUCBW-GHMZBOCLSA-N 274.328 0.912 0 50 CCAA Cc1cc(N2CCN(c3ncccc3C(N)=O)CC2)ncn1 301238124 MQDXOUOWAVURKU-UHFFFAOYSA-N 298.350 0.606 0 50 CCAA CN1CCO[C@H](CNC(=O)C2Cc3ccccc3C2)C1 277290288 ULIGWAJWFYSILK-OAHLLOKOSA-N 274.364 0.848 0 50 CCAA C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)O)C1=O 408513607 KEJREKZZPNBRDF-QMMMGPOBSA-N 276.248 0.623 0 50 CCAA CCOC(=O)/C=C1/NS(=O)(=O)c2ccccc21 408525492 IMSDLBRUSIMSDF-VQHVLOKHSA-N 253.279 0.883 0 50 CCAA COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](C)C(N)=O)CC2 277558675 ZMMPYYBZEAEGDX-KWQFWETISA-N 262.309 0.715 0 50 CCAA Cc1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1 170607861 VQCQSYDQQXGFNT-QWHCGFSZSA-N 276.336 0.986 0 50 CCAA Cc1ccnc2nc(-c3nc(-c4cncn4C)no3)nn12 170615417 ZKSXWUDUUXOENX-UHFFFAOYSA-N 282.267 0.883 0 50 CCAA COc1cc(OC)nc(N[C@@H](C)C[S@@](C)=O)n1 169042738 GDDLOETVYRVWNM-SKLCBMLGSA-N 259.331 0.673 0 50 CCAA CCC(CC)(C(=O)O)C(=O)NCc1nnc(C)n1C 653306252 HVGOOMXMVHBXEF-UHFFFAOYSA-N 268.317 0.631 0 50 CCAA COc1cccc(CN2CCC[C@@](O)(c3cnn[nH]3)C2)n1 794008018 ANYBDUUUVDXDRJ-AWEZNQCLSA-N 289.339 0.692 0 50 CCAA CN(C)C[C@@]1(O)CCCN(c2ncnc3scnc23)C1 1614994390 FCYCYTCJCXSLNR-ZDUSSCGKSA-N 293.396 0.979 0 50 CCAA Cc1noc([C@H](NC(=O)[C@@H]2C[C@H]2C(=O)O)C(C)C)n1 1615627906 UDZMTXNCPZMHHU-IWSPIJDZSA-N 267.285 0.912 0 50 CCAA COc1cc(CN2C[C@H](O)[C@@H](F)C2)cc2c1OCO2 1616122908 YIQRYHFAWGPSLT-UWVGGRQHSA-N 269.272 0.939 0 50 CCAA CSCC[C@@H](O)C(=O)NCCc1nc(C)cc(C)n1 216219823 RXJFCRWCOHQZSB-LLVKDONJSA-N 283.397 0.866 0 50 CCAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cc1cccs1 617869849 ZCVUYURMEOKVBE-UWVGGRQHSA-N 289.378 0.219 0 50 CCAA COc1cccc(C(=O)N2CCNCC2)c1OC 5061046 OYKLLBWYDUCKFS-UHFFFAOYSA-N 250.298 0.749 0 50 CCAA in-vitro NCc1ccccc1CS(=O)(=O)N1CCOCC1 7986273 AJHVMHVPGHXSRV-UHFFFAOYSA-N 270.354 0.307 0 50 CCAA in-vitro COCCN1CCCN(c2ncc(C)cn2)CC1 677503383 DJJPPKPMCOPTAB-UHFFFAOYSA-N 250.346 0.944 0 50 CCAA CC(C)n1cc(S(=O)(=O)N[C@]2(C)CCOC2)cn1 158610762 UKMNYRQXDBTESA-LLVKDONJSA-N 273.358 0.921 0 50 CCAA COc1ccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1 18143882 OCVSHUZZYJRPQC-CYBMUJFWSA-N 290.319 0.659 0 50 CCAA Cc1ccc(N2C(=O)C[C@H](NCC(=O)O)C2=O)c(C)c1 19999471 POPOIGVXHDEKMX-JTQLQIEISA-N 276.292 0.610 0 50 CCAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1ncc[nH]1)C2 247496209 CZQDIIQZTIQVRU-QWRGUYRKSA-N 284.385 0.266 0 50 CCAA COc1cnc(C(=O)N2CC[C@H](N3CCCC3)C2)nc1 550504476 HHIGQVVNVMAEGU-NSHDSACASA-N 276.340 0.796 0 50 CCAA CC(=O)NCCCC(=O)N1C[C@H](C(=O)O)[C@@H](C(C)C)C1 253490012 HDWIPLHFDSYFEI-NEPJUHHUSA-N 284.356 0.718 0 50 CCAA CC(C)[C@H](C(=O)N(C)[C@@H](C)C(=O)O)N1CCCC1=O 262886123 MOICBYSECRULMV-GXSJLCMTSA-N 270.329 0.565 0 50 CCAA Cc1ccnn1CC(=O)N1CCC[C@]1(C)C(=O)O 902112590 KBOJPXGDRNBUHZ-GFCCVEGCSA-N 251.286 0.657 0 50 CCAA CC(C)c1nc(CNC(=O)[C@@H]2C[C@@H](O)CN2)cs1 236841839 ADDAGWYQUKNMLO-ZJUUUORDSA-N 269.370 0.606 0 50 CCAA CN1CC2(C1)CN(C(=O)c1ccc3ncnn3c1)C2 1152856280 DDFNLUNAFQEWIV-UHFFFAOYSA-N 257.297 0.117 0 50 CCAA C[C@H]1CNCC[C@H]1CNC(=O)c1ccc(C(=O)O)nc1 1875280212 ZZDLCYWFYSJACT-UWVGGRQHSA-N 277.324 0.755 0 50 CCAA NCC1(O)CC(C(=O)N[C@H](CO)c2ccc(Cl)cc2)C1 1875319773 RCVWELSQKGSASA-KSGYAGIASA-N 298.770 0.589 0 50 CCAA CN1C[C@@H]2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)[C@@H]2C1 893022205 ZGZFNGUHYMRLAH-OUCADQQQSA-N 278.400 0.569 0 50 CCAA Cc1ccc(F)cc1C(=O)N1CCC[C@](O)(C(N)=O)C1 285659600 UWFCLVRPTQGDMJ-CQSZACIVSA-N 280.299 0.587 0 50 CCAA CCCn1cnnc1CN1C[C@H](C(=O)O)CC1=O 65370373 XHCNCEWQVIMBDG-MRVPVSSYSA-N 252.274 0.121 0 50 CCAA CCN(CCN1CCCC1)C(=O)c1c[nH]c(=O)cn1 67833414 LDSITZFVQGQEQQ-UHFFFAOYSA-N 264.329 0.328 0 50 CCAA CSCC[C@@H](O)C(=O)NCc1[nH]cc(C)c(=O)c1C 426622999 OUBKPARSDQVHAV-LLVKDONJSA-N 284.381 0.722 0 50 CCAA O=C(NC[C@@H]1CCS(=O)(=O)C1)c1n[nH]c2c1CCCC2 642219159 DNHKTGAHKVOOQF-VIFPVBQESA-N 297.380 0.453 0 50 CCAA NC[C@H]1CN(C(=O)Nc2ccccc2)[C@H]2CCN1C2 225302582 VCICQAZMWKVWCY-STQMWFEESA-N 260.341 0.936 0 50 CCAA CCOc1ccccc1NC(=O)C(=O)NCCOC 2961247 ZBERVEVRVNVBKK-UHFFFAOYSA-N 266.297 0.786 0 50 CCAA O=C(O)COCC(=O)N1CC(=O)Nc2ccccc21 4520623 GCRQQWTWSHLEOF-UHFFFAOYSA-N 264.237 0.073 0 50 CCAA Cn1c(=O)n(C)c2cc(CNc3nnn[nH]3)ccc21 4777333 GSXXURPQQMSFFR-UHFFFAOYSA-N 259.273 0.002 0 50 CCAA CCn1c(S)nnc1CCNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 225427957 ANYRNMFHIYBMJR-KXUCPTDWSA-N 296.396 0.813 0 50 CCAA CN1CCC[C@H]2CN(S(=O)(=O)C3CC3)CC[C@H]21 247123744 RGRJWADPSXMMPV-CMPLNLGQSA-N 258.387 0.895 0 50 CCAA CCOCCC(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 67588779 ANVNWIGUPVLIII-AWEZNQCLSA-N 268.357 0.884 0 50 CCAA COc1cccnc1N(C)C(=O)[C@H]1CCN(C)C(=O)C1 121355943 JVLQJQCDIYBREO-JTQLQIEISA-N 277.324 0.921 0 50 CCAA CCCn1ccnc1-c1nccn1CCS(=O)(=O)NC 77377154 VLNFDXZXXGVEBQ-UHFFFAOYSA-N 297.384 0.706 0 50 CCAA CC(C)[C@H](NC(=O)C1(C(N)=O)CC1)c1nccn1C 219616307 PLCRDUKTYMJEDL-VIFPVBQESA-N 264.329 0.499 0 50 CCAA CCN1CN(C(=O)[C@@H]2CCN2Cc2ccccc2)CC1=O 365278895 WXCICSCLVSDZKK-AWEZNQCLSA-N 287.363 0.909 0 50 CCAA O=C(O)C(=O)NC[C@H]1CCCN1CCc1ccccc1 368138788 LQWPYBSTXBNNIP-CYBMUJFWSA-N 276.336 0.894 0 50 CCAA CN(Cc1cccc(OCC(N)=O)c1)C[C@H]1COCCO1 216257550 NXYMOQCWFGEYEE-AWEZNQCLSA-N 294.351 0.398 0 50 CCAA Cn1cnnc1SCCNC(=O)COc1cccnc1 219309435 WOZMGVIYJFZSPG-UHFFFAOYSA-N 293.352 0.497 0 50 CCAA Cc1nnc(C(=O)N[C@H]2CCC(=O)NC2(C)C)s1 339105861 DYZYYGOVCLGXKZ-ZETCQYMHSA-N 268.342 0.634 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 237952422 XSKBZVKRRHFRDU-RRFJBIMHSA-N 295.427 0.827 0 50 CCAA COc1cc(NC(=O)CNC(=O)CCN)cc(OC)c1 262480176 RMQRMGJAZMSXJD-UHFFFAOYSA-N 281.312 0.107 0 50 CCAA Cc1c(CCC(=O)N2CCNC[C@@](C)(F)C2)cnn1C 335503842 OVODTUXQLCYGDA-CQSZACIVSA-N 282.363 0.821 0 50 CCAA O=C(C[C@H]1CCNC1)NCCn1c(=O)[nH]c2ccccc21 130058395 FOLRPOKEUZWMSS-LLVKDONJSA-N 288.351 0.445 0 50 CCAA Cc1c(C(=O)N2CCCO[C@@H](CN)C2)cnn1C(C)C 521434341 QXFYYVGEWRUBSP-LBPRGKRZSA-N 280.372 0.962 0 50 CCAA CN1CSC[C@H]1C(=O)NCCNc1cccnc1 71765321 HFAPAVSHYSWBQQ-NSHDSACASA-N 266.370 0.614 0 50 CCAA CC(C)N(C)CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 239539237 AVXWZSVKESGODD-ZIAGYGMSSA-N 283.416 0.384 0 50 CCAA CCn1cnnc1CCNC(=O)Cn1nc2ccccc2n1 223262638 JCZHPEWAQLXKOS-UHFFFAOYSA-N 299.338 0.402 0 50 CCAA Cc1nc(O)cc(CSc2nnc(CCN)n2C)n1 426635527 SMYDFJIDVDLWGS-UHFFFAOYSA-N 280.357 0.413 0 50 CCAA C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C)C2=O)c2nccn21 527989742 GFAYGMUAZNQJCW-MXWKQRLJSA-N 291.355 0.809 0 50 CCAA O=C(NCCCc1nn[nH]n1)c1cc(-c2ccccc2)[nH]n1 426623255 PWHHOMBMLTZMEN-UHFFFAOYSA-N 297.322 0.952 0 50 CCAA CN(CCCNC(=O)c1cncc(=O)[nH]1)C1CCCC1 426563170 FKTNDEBPTVXPPC-UHFFFAOYSA-N 278.356 0.764 0 50 CCAA CCn1ccc(-c2nc(CCOC)nn2CCO)cc1=O 96139073 WWOLYHDLPPFFNY-UHFFFAOYSA-N 292.339 0.308 0 50 CCAA Cn1cccc1-c1cc(C(=O)N2C[C@H](O)CO2)[nH]n1 91986348 FYMYATNOTPUFEH-QMMMGPOBSA-N 262.269 0.164 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[C@](C)(C(=O)O)C1 299746306 WOCFWBJJTQVKQA-WDMOLILDSA-N 285.340 0.894 0 50 CCAA C[C@@H]1CCCN(C(=O)c2cccn(C)c2=O)[C@@H]1CN 299740425 ZQANFYLYJILWLC-ZYHUDNBSSA-N 263.341 0.585 0 50 CCAA Cc1ccc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)o1 628376303 OPMXPUYFQHTLBE-ZIAGYGMSSA-N 277.324 0.946 0 50 CCAA CCc1c(C)nc(C)[nH]c1=NCCc1nc(N)n[nH]1 534640058 YMMWUZLMNNXLEY-UHFFFAOYSA-N 261.333 0.433 0 50 CCAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1cncnc1)CC2 299797090 PLCVURSBSPJLOJ-HZSPNIEDSA-N 263.341 0.981 0 50 CCAA COC(=O)C[C@]1(C(=O)OC)C(=O)Cc2ccccc21 725244807 XVRDULYJUNKCPD-CQSZACIVSA-N 262.261 0.786 0 50 CCAA CSc1ncc(CNC(=O)[C@@H]2CC(C)=NO2)n1C 824959592 QMEOLTSHZWYSLC-VIFPVBQESA-N 268.342 0.923 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CCn1cnnn1 584894816 QWLRBLFCMJYDGR-SSDOTTSWSA-N 263.305 0.281 0 50 CCAA CCOCCC(=O)N1CCC(O)(CN2CCCC2)CC1 584893973 UGLWYJPAJGRSDA-UHFFFAOYSA-N 284.400 0.862 0 50 CCAA CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 675050199 JSBDWNFERAZSIZ-ZETCQYMHSA-N 279.314 0.105 0 50 CCAA COCCCn1cnnc1CNC(=O)c1cc[nH]c1C 670458009 PRYVPFLUFAGAIU-UHFFFAOYSA-N 277.328 0.881 0 50 CCAA Cn1c(O)nc(N2CCSC(C)(C)C2)cc1=O 1515281673 UULDAQGWNRRYCU-UHFFFAOYSA-N 255.343 0.818 0 50 CCAA C[C@](CO)(NCC1(CO)COC1)C1CCCCC1 170660763 IYBHCSBYQSDPDY-CYBMUJFWSA-N 257.374 0.916 0 50 CCAA Cc1nc(CN2CCN(C(=O)[C@@H]3CCCN3)CC2)oc1C 167516515 MFKJAARAPNZYDV-ZDUSSCGKSA-N 292.383 0.688 0 50 CCAA CN(CC1CC(O)C1)[C@H]1CCCN(c2cnn(C)c2)C1=O 190185667 MSWZCGKGEXIWBG-UBHUBRDASA-N 292.383 0.618 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCN(C)C(=O)C2)C1 192857455 RZULOUDHRPOGSR-WDEREUQCSA-N 289.401 0.174 0 50 CCAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(CC(=O)N(C)C2CC2)C1 572264796 FJLOQTOHVBNUDL-MNOVXSKESA-N 279.344 0.187 0 50 CCAA O=C(c1ccc2c(c1)COB2O)N1CCC[C@H]1c1cc[nH]n1 584984388 XTVJOJPNCINDEM-AWEZNQCLSA-N 297.123 0.605 0 50 CCAA NC[C@H]1CN(C(=O)c2c(F)cc(F)cc2F)CCO1 86995719 BTFHDNFNJUZIIE-QMMMGPOBSA-N 274.242 0.904 0 50 CCAA CN(CC[C@@H]1CCCCO1)C(=O)CN1CCOC1=O 1506414076 NHLQYDFUYYMPGV-NSHDSACASA-N 270.329 0.856 0 50 CCAA CS(=O)(=O)C1(C(=O)N2CC(O)(C3CC3)C2)CCCC1 408399139 FOQXJNHWJYUIQD-UHFFFAOYSA-N 287.381 0.327 0 50 CCAA O=C1C[C@@H](NS(=O)(=O)CC2CCC2)[C@@H]2CCCCN12 328740423 NCALNCJKXZAZTO-NEPJUHHUSA-N 286.397 0.859 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)CC(C)(C)O)C1 644121682 WBFDQPWNHRSZQC-ZJUUUORDSA-N 267.329 0.859 0 50 CCAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)Cn1cnnn1)C2 1704298464 KDYDVAMVGWRJRE-YPMHNXCESA-N 279.344 0.481 0 50 CCAA Cc1noc(C)c1CN(C)c1nc(C(=O)O)nn1C 1857701616 XAQSCCHFMQLYQC-UHFFFAOYSA-N 265.273 0.755 0 50 CCAA O[C@@H]1C2CN3CCN(C2)CC1(Cc1ccccc1)C3 19370256 CGUDJXDALLLTIR-HWOWSKLDSA-N 258.365 0.837 0 50 CCAA biogenic O=C(c1cc(-n2cnnn2)n[nH]1)N1CC(c2ccccn2)C1 1857675343 UMNZCNILNKWIQQ-UHFFFAOYSA-N 296.294 0.020 0 50 CCAA Cc1nc(N2CC[C@]3(CNC(=O)CO3)C2)c2[nH]ccc2n1 1857699461 PWHIMVDNNWDQEN-AWEZNQCLSA-N 287.323 0.362 0 50 CCAA Cc1noc([C@@H]2CN(C(=O)C3(O)CCCC3)CCN2C)n1 408034520 FZLZSXJLIOPVHR-NSHDSACASA-N 294.355 0.498 0 50 CCAA N=C(O)CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccco1 328604450 JYOFLZRXVRSDMN-IUCAKERBSA-N 269.276 0.957 0 50 CCAA O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1C[C@H]2C=C[C@H]1C2 264787398 ATQNHHQOEHJQEQ-NNYUYHANSA-N 258.325 0.921 0 50 CCAA NC(=O)C1(NC(=O)Nc2cncc(Cl)c2)CC1 932116793 MHNBWQFNWQAKFY-UHFFFAOYSA-N 254.677 0.874 0 50 CCAA CC1CC(CS(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 952877933 WWKLCCBSSQEXKP-VQXHTEKXSA-N 287.385 0.072 0 50 CCAA C[C@H]1CNCCN1Cc1cc(C2CCNCC2)no1 1875266297 BXCXAAXFRHKNAH-NSHDSACASA-N 264.373 0.935 0 50 CCAA Cn1nc(C(=O)N2CCC[C@@H]3C[C@@H]32)c2c1CCNC2 1875315324 PDGXKXCDVQVQNZ-SKDRFNHKSA-N 260.341 0.690 0 50 CCAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@H]1CCc2nccn2C1 1875311048 LFMJIPLYUXDGQI-MJDLHHQISA-N 289.335 0.671 0 50 CCAA CO[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[C@H](C(=O)O)C1 888097464 KQSMJSJWLAICFF-IVZWLZJFSA-N 277.342 0.290 0 50 CCAA CO[C@H]1C[C@H](NC(=O)N=c2cc[nH]cc2N(C)C)C1 888100319 SUJLGVFZVZTJHH-MGCOHNPYSA-N 264.329 0.868 0 50 CCAA COCCN1CCC2(C1)CN(C(=O)c1cccn1C)C2 1072480089 VQKLWXPDKCHFOE-UHFFFAOYSA-N 277.368 0.819 0 50 CCAA Cn1cc(N2CCN(Cc3nccn3C)CC2=O)cn1 177449648 XDTQBTIZBXJRKX-UHFFFAOYSA-N 274.328 0.002 0 50 CCAA Cc1ccccc1CCNC(=O)[C@@H]1CNCCOC1 643620660 HQPCZWBIQKKQLQ-CQSZACIVSA-N 262.353 0.890 0 50 CCAA CO[C@H]1COC[C@@H]1Nc1nc(C)cc(C(=O)O)n1 1506426877 QKGGGTPSLUOEHU-IUCAKERBSA-N 253.258 0.309 0 50 CCAA Nc1nnc(SCC(=O)N2CCOCC2)s1 36118 TUWNOEQXKYKZMJ-UHFFFAOYSA-N 260.344 0.071 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@]23CCCN(C)C3=O)nn1C 2356135632 NCJKFBUTIYKPON-OAHLLOKOSA-N 290.367 0.956 0 50 CCAA CCCN1CCC[C@]2(CCCN2C(=O)c2cnn[nH]2)C1=O 2356152493 MAVCMOWBQAWVMS-AWEZNQCLSA-N 291.355 0.812 0 50 CCAA CCS(=O)(=O)N1CCN(c2ccccn2)CC1 6489738 IQGKKRKXSBXBCN-UHFFFAOYSA-N 255.343 0.553 0 50 CCAA c1ccc(-n2nnnc2SCc2nn[nH]n2)cc1 6557736 XSBHYLGNWXMLTH-UHFFFAOYSA-N 260.286 0.468 0 50 CCAA C[C@H]1CN(C(=O)[C@@H]2CCOC2)CCN1C(=O)[C@@H]1CCOC1 114156927 QHMDXGBJLWRIHZ-YNEHKIRRSA-N 296.367 0.119 0 50 CCAA CN(Cc1cnn(CCC(=O)O)c1)C[C@H]1CCCN1C 102543322 PDEURKIFKZGSJZ-CYBMUJFWSA-N 280.372 0.884 0 50 CCAA NC(=O)N1CCN(C2CCC3(CCNCC3)CC2)CC1 67820871 DQEMKYHSEPFVEJ-UHFFFAOYSA-N 280.416 0.995 0 50 CCAA O=C1N(Cc2ccccc2F)CCC[C@@]1(O)CNCCO 67741588 RADVYHVOWFUSCZ-OAHLLOKOSA-N 296.342 0.261 0 50 CCAA Cc1cc(Sc2nnnn2C2CC2)n2ncnc2n1 139725962 LKFVWRSFFJFHEI-UHFFFAOYSA-N 274.313 0.905 0 50 CCAA CN(C)c1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)c1 252491437 LMMIYHQEFUTPSU-LBPRGKRZSA-N 298.364 0.990 0 50 CCAA CCC[C@@](C)(CO)NC(=O)N[C@H]1CCN(C(C)=O)C1 120908089 FRYKYNRHLUERSZ-AAEUAGOBSA-N 271.361 0.458 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(Cc2cnc(N(C)C)nc2)C1 330512307 BVGJSDXOMCOQOT-NWDGAFQWSA-N 266.345 0.124 0 50 CCAA CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1=O 152793332 RTGMUMHNQIAJIL-UHFFFAOYSA-N 296.348 0.004 0 50 CCAA CO[C@H]1C[C@@H](N(C)C(=O)C2(S(C)(=O)=O)CCCC2)C1 331748232 DTVRMEZSCKNRIG-PHIMTYICSA-N 289.397 0.980 0 50 CCAA Cn1ccnc1[C@@H]1CNCCN1CC1CCOCC1 261661822 BAGIGYAXHHNLFT-ZDUSSCGKSA-N 264.373 0.793 0 50 CCAA NC(=O)COc1ccccc1-c1nc(C2(N)CCC2)no1 261941813 MUSMEHBZSVVNER-UHFFFAOYSA-N 288.307 0.939 0 50 CCAA CCN1CCOC[C@@H]1C(=O)NCCCn1nc(C)cc1C 372837826 DFONQSCPNGAMRS-CQSZACIVSA-N 294.399 0.727 0 50 CCAA O=S(=O)(CC1CCC1)N[C@H]1CCc2nnnn2CC1 333764223 DDGSOCYSSXDMAB-JTQLQIEISA-N 285.373 0.098 0 50 CCAA O=S(=O)(CCNCc1cccnc1)N1CCCCC1 40451271 CNRAOMTWNRBXMW-UHFFFAOYSA-N 283.397 0.987 0 50 CCAA CN(C)CC(=O)NC[C@H]1c2ccccc2C(=O)N1C 530000081 LBLWTPXEJBDYHL-LBPRGKRZSA-N 261.325 0.491 0 50 CCAA O=C(Cc1nc2ccccc2[nH]1)NCCc1cnn[nH]1 426443419 RJSDTIGACPYIFD-UHFFFAOYSA-N 270.296 0.582 0 50 CCAA Cc1ncsc1CCC(=O)N[C@@H]1C=CS(=O)(=O)C1 82170524 FJQKVUWTLOJOJL-SECBINFHSA-N 286.378 0.811 0 50 CCAA C[C@@H](CN1CCOCC1)C(=O)NCC1(CO)CCC1 331392863 DPJCIXLGHNLRDY-LBPRGKRZSA-N 270.373 0.234 0 50 CCAA Nc1nc(CN=c2cc([C@H]3CCOC3)nc[nH]2)cs1 426551929 CLBVMEYAKYOXAP-QMMMGPOBSA-N 277.353 1.053 0 50 CCAA COc1nc(-c2ccc(S(C)(=O)=O)cc2)nn1C 426472953 NJYZROXASVYNCG-UHFFFAOYSA-N 267.310 0.894 0 50 CCAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)c2ncn[nH]2)C1 91931978 APDRXTAHDVGXBU-ZDUSSCGKSA-N 296.327 0.538 0 50 CCAA CC[C@]1(CO)CCCN(Cc2noc(C(N)=O)n2)C1 91657307 XJXNMDQLLLSCTP-LBPRGKRZSA-N 268.317 0.153 0 50 CCAA COc1cccc(N2CCN(CCC(=O)O)CC2=O)c1 91645546 JANKXBYQSQWMFD-UHFFFAOYSA-N 278.308 0.819 0 50 CCAA COC(=O)N1[C@H]2C=C[C@@H]([C@H](C(=O)O)[C@@H]2C(=O)O)[C@H]1C 245247124 QAOKJXBCIUHDPZ-XGQMLPDNSA-N 269.253 0.413 0 50 CCAA COC1=CC=C[C@@]23[C@@H]4[C@H]5[C@H]6[C@H]5[C@H]2n2c(=O)n(C)c(=O)n2[C@@H]6[C@@]143 248016573 GMXXBVQRVHKNTC-JVMPBORCSA-N 297.314 0.036 0 50 CCAA N[C@H]1CCCN(C(=O)CCN2CCCCCC2=O)C1 534576180 GKOGBLSWUIFPFA-LBPRGKRZSA-N 267.373 0.729 0 50 CCAA CN(C[C@H]1CCOC1)C(=O)c1cccn(C)c1=O 267407068 JVDJILFSPZRAMA-SNVBAGLBSA-N 250.298 0.494 0 50 CCAA O=C1CC[C@@H](C(=O)NCC2CCN(CC3CC3)CC2)N1 620928413 ZZFMFHFMPXRSBM-ZDUSSCGKSA-N 279.384 0.503 0 50 CCAA CN(CCc1noc(C2CC2)n1)C(=O)[C@@H]1C=CCN1 299769797 VDGHOZZQXQTZJM-JTQLQIEISA-N 262.313 0.476 0 50 CCAA CN1CCN2CCN(C(=O)c3cc(O)ccc3F)C[C@H]2C1 299786631 XDZQLURNWOIVGL-LLVKDONJSA-N 293.342 0.603 0 50 CCAA COCCN1CCC(C(=O)NC[C@H]2CCCCN2C)CC1 824412447 TUXXVAXGDJLZBQ-OAHLLOKOSA-N 297.443 0.945 0 50 CCAA O=C(c1ccc(CO)o1)N1CCN(CCCCO)CC1 584888898 PEPLPUPAHJTTFW-UHFFFAOYSA-N 282.340 0.302 0 50 CCAA Cc1cccc(Cn2cnc3nccnc3c2=O)n1 584900627 VLZUETSAVLLTAN-UHFFFAOYSA-N 253.265 0.938 0 50 CCAA CCCS(=O)(=O)NC[C@@H](C)NCc1cnn(C)c1C 584903944 QFIUUDYUIANLAO-SNVBAGLBSA-N 288.417 0.536 0 50 CCAA CCCN1CCC(NC(=S)NCCOC)CC1 2771057 ODWGRRQUALBUHI-UHFFFAOYSA-N 259.419 0.971 0 50 CCAA CC(C)n1cc(NC(=O)CN2CCOC2=O)cn1 874313192 SCIDQHOLZLKWHX-UHFFFAOYSA-N 252.274 0.855 0 50 CCAA Cn1nccc1C(=O)NCC1CCN(CCC(=O)O)CC1 952963387 JUDHUOAAZGSNKR-UHFFFAOYSA-N 294.355 0.337 0 50 CCAA CO[C@H](C)CS(=O)(=O)N(C)CCn1cccn1 170620333 PZARSUYABQPXJD-SNVBAGLBSA-N 261.347 0.180 0 50 CCAA CN(C)CCn1ccc(NC(=O)[C@H]2CCCOC2)n1 170798220 SKXRDSKYEANTQN-NSHDSACASA-N 266.345 0.810 0 50 CCAA Cc1cnn(CC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)c1 564802096 YIYZCBGQHQWZFN-DCAQKATOSA-N 263.297 0.656 0 50 CCAA CN1C(=O)c2ccc(C(=O)N[C@H]3C[C@@](C)(O)C3)cc2C1=O 668032408 QEWNWYQZEFFOGF-DXPFQBAHSA-N 288.303 0.556 0 50 CCAA CN1C[C@@H](C(=O)N2CCCc3ccccc3C2)NC1=O 668402438 OVTHAKLCLSZUTJ-ZDUSSCGKSA-N 273.336 0.985 0 50 CCAA O=C(CC1OCCO1)N[C@@H]1CCN(c2ncccc2F)C1 789989676 KWYFVQTYPBFHIW-SNVBAGLBSA-N 295.314 0.679 0 50 CCAA CN1CCN(C(=O)c2cn[nH]n2)[C@H](c2ccccc2)C1 96152885 OANKQXAPMVYIID-ZDUSSCGKSA-N 271.324 0.934 0 50 CCAA C[C@H]1CN(c2ccnc(S(N)(=O)=O)c2)CCC1=O 1615613109 FKBGZUROXXIYSX-QMMMGPOBSA-N 269.326 0.144 0 50 CCAA Cc1cc(C(=O)O)nc(NCCN2CCCC[C@H]2CO)n1 1506396255 BFFQOAVBADZUNF-NSHDSACASA-N 294.355 0.742 0 50 CCAA CSc1ncc(B(O)OC(C)(C)C(C)(C)O)cn1 200311260 JWQGRBOQNRKULV-UHFFFAOYSA-N 270.163 0.452 0 50 CCAA Cc1cnc(NCc2cc(O)ncn2)nc1N(C)C 1704306547 WKOOASNWOZVDAL-UHFFFAOYSA-N 260.301 0.959 0 50 CCAA Cc1cnc(N2CC[C@H](C(=O)O)C2)nc1N(C)C 1704308712 HXNKSVFADPYCEX-VIFPVBQESA-N 250.302 0.762 0 50 CCAA CCN1CCn2c(CC3CCNCC3)nnc2C1=O 1775984292 NHTBPKGEWPKKBR-UHFFFAOYSA-N 263.345 0.296 0 50 CCAA C[C@H]1SCCn2c(CN3CCN(C)CC3)nnc21 1775981776 PDDUXIFIAMQYNE-SNVBAGLBSA-N 267.402 0.833 0 50 CCAA O=C(O)CN(C(=O)[C@H]1CC12CCOCC2)C1CC1 238080840 ILNBDWMMOOEFBC-SNVBAGLBSA-N 253.298 0.879 0 50 CCAA O=C1N(CC2CCC2)CCC[C@]1(O)CN1CCC(O)CC1 12713495 AAIYATMCXJYFBC-INIZCTEOSA-N 296.411 0.597 0 50 CCAA CN1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O 19720516 OBOJJNHBTVGMQB-CQSZACIVSA-N 287.363 0.562 0 50 CCAA Cn1nc(C(=O)NCCCc2ccncc2)ccc1=O 19939127 KVCKYAQUDQLQCZ-UHFFFAOYSA-N 272.308 0.538 0 50 CCAA Cn1nc(C(=O)O)nc1N1CCO[C@H](c2ccccn2)C1 1857676653 KQINZVSSZPTRFO-JTQLQIEISA-N 289.295 0.486 0 50 CCAA N[C@H]1C[C@H](C(=O)NCCOc2ccccc2F)C[C@@H]1O 1857723899 BLCCJGLBTFPBSD-DLOVCJGASA-N 282.315 0.419 0 50 CCAA O=C(Nc1cnn2ccccc12)N1C[C@@H](O)C[C@H]1CO 640366801 WKJASJCINOWKOG-UWVGGRQHSA-N 276.296 0.294 0 50 CCAA NC(=O)[C@H]1CN(c2ncnc3cc(Cl)ccc23)CCO1 261382850 PGXVUHPVKDLKDZ-LLVKDONJSA-N 292.726 0.974 0 50 CCAA NC(=O)Nc1cccc(C(=O)N2CCOC[C@@H]2C(=O)O)c1 262103183 HUIPMVPVTUFPGE-SNVBAGLBSA-N 293.279 0.103 0 50 CCAA CO[C@H]1C[C@@H](CO)N(Cc2cnn(-c3ccccc3)n2)C1 583617615 MVEBHQHFUXCBAH-GJZGRUSLSA-N 288.351 0.849 0 50 CCAA C1CC2(CCN1)CO[C@H](CN1C[C@@H]3CCNC[C@@H]3C1)C2 903788856 RIMXCTGDLWUSKC-ZNMIVQPWSA-N 279.428 0.686 0 50 CCAA CO[C@@H]1CN(c2nccc(C)n2)C[C@H]1c1cnn[nH]1 818158610 IMUXIGNEDVUIBK-GXSJLCMTSA-N 260.301 0.522 0 50 CCAA CCC[C@H](NC(=O)c1ccnc(C(=O)O)c1)c1nn[nH]n1 829230507 KGCBVGYTYVNUMR-QMMMGPOBSA-N 290.283 0.564 0 50 CCAA Cc1noc(C[C@@H]2CCCN(c3nnnn3C)C2)n1 929059015 NYNDLRMDJDTUPW-VIFPVBQESA-N 263.305 0.361 0 50 CCAA O=C(Cc1cncnc1)N[C@@H]1C=CC[C@@H](C(=O)O)C1 1875272657 DHMPFRMYUIFHGR-GHMZBOCLSA-N 261.281 0.555 0 50 CCAA Cn1[nH]c(C2CC2)nc1=NS(=O)(=O)c1ccsc1 1875280106 USJXADVFXPMZMC-UHFFFAOYSA-N 284.366 0.977 0 50 CCAA COc1ncc(Br)c(=NCCc2cnn[nH]2)[nH]1 1875288376 YSVQNCFTRDMJGW-UHFFFAOYSA-N 299.132 0.442 0 50 CCAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCC[C@H]2O)CC1 1875366906 WSGAEDYWQZEVNO-NWDGAFQWSA-N 266.341 0.441 0 50 CCAA CCn1nnc(C)c1CNC(=O)/C=C/CN(C)C 1875376775 HZKFZCKWSKHUCT-VOTSOKGWSA-N 251.334 0.340 0 50 CCAA CNS(=O)(=O)N1CCC[C@@H]1CCc1ccccn1 1775999845 XUTPOCXOXAGICL-GFCCVEGCSA-N 269.370 0.943 0 50 CCAA CC(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccc(O)cn1 1776006631 SCUFOWRVCJQRNG-ZDUSSCGKSA-N 291.351 0.847 0 50 CCAA CC(C)(C)OC(=O)N1CCN2C(=O)CCCNC[C@@H]2C1 2325712097 JGTWRKKADCJQCJ-LLVKDONJSA-N 283.372 0.818 0 50 CCAA CCC[C@@]1(CO)CN(Cc2nccn2C)CC[C@@H]1O 2100539423 IDNKNKOHYKFNIO-JSGCOSHPSA-N 267.373 0.766 0 50 CCAA C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)C1CCCCC1 2325701384 FFIRZNCPZYFBBO-ONGXEEELSA-N 266.341 0.777 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)N1CCc2ccccc2[C@H](O)C1 2325788232 UQANDINSCBWZAZ-BPLDGKMQSA-N 290.363 0.075 0 50 CCAA N[C@H](Cc1onc(O)c1Br)C(=O)O 4262469 JRTOQOAGTSUNHA-UWTATZPHSA-N 251.036 0.097 0 50 CCAA in-vitro Cc1ccc(CN(CCN(C)C)C[C@@H](O)CO)s1 55120208 FFNROIKWHBUHQK-GFCCVEGCSA-N 272.414 0.773 0 50 CCAA COc1cccc(CN2CCS(=O)(=O)CC2)c1OC 20542512 UYYVZXNATAYBCH-UHFFFAOYSA-N 285.365 0.934 0 50 CCAA CN(Cc1nc2ccccc2n1C)C(=O)c1ncn[nH]1 67513565 ZCQAMRASVVHUTE-UHFFFAOYSA-N 270.296 0.964 0 50 CCAA O=C1[C@H](CS(=O)(=O)O)NC(=S)N1c1ccccc1 28631635 MQYYMDOMIUCPDK-QMMMGPOBSA-N 286.334 0.164 0 50 CCAA CN1CCCN(CC(=O)NCCCc2cccnc2)CC1 65425757 VNEVIAUNCTUQPP-UHFFFAOYSA-N 290.411 0.768 0 50 CCAA COC[C@H](O)CN1CCOC[C@H]1c1c(C)n[nH]c1C 330585529 WGYBHXOLKDVVQN-NEPJUHHUSA-N 269.345 0.407 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H](C)C1 252689821 SGWWLJFBNMMEFZ-RYUDHWBXSA-N 275.418 0.647 0 50 CCAA Cc1nsc(N2CCOC[C@@H]2c2nc[nH]n2)n1 329174643 BCCAXWWQOUHEPU-SSDOTTSWSA-N 252.303 0.543 0 50 CCAA CCNC(=O)C1CN(C(=O)[C@H](C)N(C)CC(F)(F)F)C1 332056264 OQWMBPVFVKZEEJ-QMMMGPOBSA-N 295.305 0.464 0 50 CCAA COC[C@H]1CCCN(S(=O)(=O)N2CCOCC2)CC1 332194482 ABSUDUMPWCUSAC-LBPRGKRZSA-N 292.401 0.312 0 50 CCAA Cc1cc(CC(=O)N2CC(F)(F)C[C@@H]2CO)n[nH]1 366685274 TZTSEEGUVSNEGE-SECBINFHSA-N 259.256 0.489 0 50 CCAA Cn1ncc2c(N3C[C@H](F)C[C@H]3C(N)=O)ccnc21 284460422 CQTAZGCNRRPQDB-XCBNKYQSSA-N 263.276 0.370 0 50 CCAA CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cnnn1C 284737511 AYWWONLPRUOCQE-JTQLQIEISA-N 279.344 0.336 0 50 CCAA C[C@@H](NC(=O)CN(C)Cc1cccnc1)c1nncn1C 223703845 RSUFUMPOVAALRR-LLVKDONJSA-N 288.355 0.519 0 50 CCAA CSCCNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 612778869 XOJRGHPRSYXOLV-UHFFFAOYSA-N 292.364 0.664 0 50 CCAA CCO[C@@H](C)C(=O)NCCc1nc(C)cc(O)n1 426515825 ZOJHWXFNCPCCGD-VIFPVBQESA-N 253.302 0.574 0 50 CCAA CN(C)[C@H]1CN(C(=O)Cc2n[nH]c3ccccc23)C[C@@H]1O 514757892 CQZMGLMQOWHRGA-KBPBESRZSA-N 288.351 0.239 0 50 CCAA COC[C@@H]1CCCN1C(=O)NCCc1ncnn1C 426387583 BPKYCPFPQDBKKW-JTQLQIEISA-N 267.333 0.178 0 50 CCAA CN1CCCCC[C@H]1C(=O)NCCCn1cnnc1 95390485 KZUZLRKPEXVMMT-LBPRGKRZSA-N 265.361 0.659 0 50 CCAA COCCN(C)C[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1CO 92097586 AOZVEEHUBRPODO-ZIAGYGMSSA-N 284.400 0.432 0 50 CCAA CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCNC2)cc1 97756314 VOSITIVUZQFLQM-SNVBAGLBSA-N 283.353 0.574 0 50 CCAA O=C1[C@H]2[C@@H]3[C@H]4C[C@H]2[C@H](O)[C@H]4O[C@H]3N1Cc1ccccc1 238900554 JNIYESDZDSVWHU-ICOLQDTHSA-N 271.316 0.997 0 50 CCAA O=c1cc(N2CCOCC2)cnn1C[C@@H]1CCCO1 95388336 FFPZUWCDFDJFGA-LBPRGKRZSA-N 265.313 0.259 0 50 CCAA CCSCC(=O)N1CCN(CCn2cncn2)CC1 244595090 DOLSWWBRINAKLR-UHFFFAOYSA-N 283.401 0.175 0 50 CCAA CN(C)C[C@H]1CCCCN1C(=O)c1ccc(C(N)=O)[nH]1 621891170 WMVIPLFPVHVWSS-SNVBAGLBSA-N 278.356 0.670 0 50 CCAA C[C@@H](Cc1cnccn1)N(C)CC(=O)Nc1ccn(C)n1 244724364 MSOYNEVHXORDBN-NSHDSACASA-N 288.355 0.712 0 50 CCAA CCc1n[nH]c(SCC(=O)N[C@@H]2CCC(=O)N(C)C2)n1 244795865 ROTZLOJMVDHAIJ-MRVPVSSYSA-N 297.384 0.196 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)c2ccnc(C3CC3)n2)C1 299744894 VGFXWZPSPGWPIZ-VIFPVBQESA-N 261.281 0.901 0 50 CCAA NC(=O)[C@@H](O)C1CCN(Cc2noc3c2CCCC3)CC1 299750992 PCEDAQCOTLCFDZ-AWEZNQCLSA-N 293.367 0.612 0 50 CCAA COCCN1C[C@@H](CNC(=O)c2ncoc2C)CC1=O 299783313 YYTYDCWEIRJZLY-SNVBAGLBSA-N 281.312 0.208 0 50 CCAA O=C(O)CCCc1cn(CCN2CCOCC2)nn1 725269351 SHNAKMJXJLTCCG-UHFFFAOYSA-N 268.317 0.018 0 50 CCAA O=S(=O)(c1cn[nH]c1)N1CCC(Cn2ccnc2)CC1 828388889 ANXNJGROEPNHLB-UHFFFAOYSA-N 295.368 0.707 0 50 CCAA CCCCNC(=O)NC1CC(N2CCOCC2)C1 585134710 HEBYSZNBVGVKJN-UHFFFAOYSA-N 255.362 0.949 0 50 CCAA CN1CCOC[C@H](CNC(=O)CC2CCNCC2)C1 823801223 PRLHMXXULRWIPA-CYBMUJFWSA-N 269.389 0.071 0 50 CCAA CSCC[C@@H](CO)n1cnc2cn(C)nc2c1=O 584892308 VJVKGYDZMWPLIW-QMMMGPOBSA-N 268.342 0.417 0 50 CCAA O=C1O[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 586104375 CQYVSKAFZIKDOR-QWRGUYRKSA-N 267.306 0.804 0 50 CCAA Cc1cccc(N2C[C@H](NC(=O)c3cc(N)n[nH]3)CC2=O)c1 584890442 YNZCICGKBKATKU-SNVBAGLBSA-N 299.334 0.836 0 50 CCAA CN(C)CC1(O)CCN(C(=O)C[C@@H]2CCCOC2)CC1 584890944 DBHKLPKFIMVTKZ-ZDUSSCGKSA-N 284.400 0.718 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)c1cnc(C)cn1 670470841 PZRQGQBBKCWAQI-SNVBAGLBSA-N 290.327 0.514 0 50 CCAA CC(C)n1cnnc1[C@H](C)NC(=O)CCCn1cnnn1 670446667 JHYZZEPGYRGQKP-JTQLQIEISA-N 292.347 0.503 0 50 CCAA Cc1nc(C)c(CC(=O)N2CCN3C(=O)OC[C@@H]3C2)s1 670462506 GABBKBOJNCENEX-JTQLQIEISA-N 295.364 0.965 0 50 CCAA CN1CCNC[C@@H]1C(=O)Nc1c[nH]nc1-c1ccccc1 1548556423 BBUFWDGPOPISGW-CYBMUJFWSA-N 285.351 0.919 0 50 CCAA O=C(CCCN1Cc2ccccc2C1)N[C@H]1CNC[C@@H]1O 1565514922 CHNFIPBZFIXOBZ-GJZGRUSLSA-N 289.379 0.231 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCOC[C@@H]1O 1565527513 DRPOCYJORLVCSM-JSGCOSHPSA-N 295.383 0.981 0 50 CCAA CCN(CCN1CCOCC1)C(=O)C[C@H]1CCCOC1 952992307 ZHJISVDTXMRYQJ-CQSZACIVSA-N 284.400 0.984 0 50 CCAA CC(C)Cc1nc(-c2cn(C)c(O)nc2=O)no1 277925561 MMYYGGAFRJKBIK-UHFFFAOYSA-N 250.258 0.734 0 50 CCAA O=C1CC[C@@H](Cn2ncn(-c3ccccc3)c2=O)CCN1 515621730 NXKVCHSHXOLIQU-GFCCVEGCSA-N 286.335 0.950 0 50 CCAA Cn1cc(N2CC[C@@H](N3CC[C@@H](O)C(C)(C)C3)C2=O)cn1 275401660 DUZWNYKMDZCYSG-CHWSQXEVSA-N 292.383 0.618 0 50 CCAA CC(C)n1nccc1NC(=O)c1ccc2c(c1)B(O)OC2 584926060 YHLQURPTTQEFPA-UHFFFAOYSA-N 285.112 0.934 0 50 CCAA COc1cccc(C[C@H](NS(C)(=O)=O)C(=O)O)c1 681561796 UBMVZURXVNLEOJ-JTQLQIEISA-N 273.310 0.240 0 50 CCAA C[C@@H]1CCCC[C@H]1CC(=O)N1CC2(C[C@H](O)CNC2=O)C1 1616037202 BXSQISYAIXHVMR-AGIUHOORSA-N 294.395 0.912 0 50 CCAA COCCN1C[C@H](CNc2ccc(C(=O)O)nn2)CC1=O 1506422208 OXRDMAMUCWCGSM-VIFPVBQESA-N 294.311 0.082 0 50 CCAA COCC1(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)CCC1 1857707147 GGKRTWJAGDXATM-AWEZNQCLSA-N 282.340 0.856 0 50 CCAA Cc1noc(CN2CCC[C@](O)(CC(=O)N(C)C)C2)n1 643809549 NNTDPYDFTGIFHD-ZDUSSCGKSA-N 282.344 0.183 0 50 CCAA COc1cnc(C(=O)NC[C@@H]2CCCC[C@H]2O)nc1 340637819 HIKOEWSUIDLBIQ-GXSJLCMTSA-N 265.313 0.766 0 50 CCAA CN[C@@H]1CCCN(CC(=O)N(C)c2nccs2)C1 261779156 PAIHERLVFNYOFT-SNVBAGLBSA-N 268.386 0.790 0 50 CCAA CCN1CCC[C@@H](CNC(=O)c2ccn(C)n2)C1 589476740 VPXUAOKAPBVWCT-NSHDSACASA-N 250.346 0.882 0 50 CCAA Cc1nc(N)[nH]c1C(=O)N1CCC[C@H]1C1(O)CC1 1772816479 NGORPLDUEMOWEJ-QMMMGPOBSA-N 250.302 0.430 0 50 CCAA CC(C)N1C[C@@H](CN2CCN(CCCO)CC2)CCC1=O 1775979551 JXWLOJJOFKCYSW-OAHLLOKOSA-N 297.443 0.633 0 50 CCAA Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)CC(=O)N2 5974702 UUGDEEFHTZJKDE-MRVPVSSYSA-N 256.265 0.826 0 50 CCAA CCOc1ccc(CNC23CN4CN(CN(C4)C2)C3)cc1 19324592 PDCISGKZFDGSHO-UHFFFAOYSA-N 288.395 0.733 0 50 CCAA Cc1nccn1CCCC(=O)N1CCCNCC1 237620377 BTKBXYACFKELHK-UHFFFAOYSA-N 250.346 0.794 0 50 CCAA CC(C)[C@H](C(=O)N(C)CC(=O)O)N1C[C@H](C)O[C@H](C)C1 247519974 NYPVAYQNIAIVCU-NTZNESFSSA-N 286.372 0.663 0 50 CCAA CO[C@H](C)CS(=O)(=O)Nc1cnc(O)c(C)c1 253630021 UJMCSLXKXXSWME-MRVPVSSYSA-N 260.315 0.872 0 50 CCAA CC1(C)OC[C@@H]([C@H]2OC(=O)[C@H]3OC(C)(C)O[C@H]32)O1 34565283 OFZPAXSEAVOAKB-KZVJFYERSA-N 258.270 0.583 0 50 CCAA in-vitro CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)CC(C)(C)O)cn1 818598307 HKZYIWFETQQNQH-NWDGAFQWSA-N 297.355 0.326 0 50 CCAA N[C@H](CNC(=O)c1ccc(-n2cccn2)nc1)C1CC1 834401188 RZUMIZWRAZYYQZ-GFCCVEGCSA-N 271.324 0.734 0 50 CCAA CCC1CCN(S(=O)(=O)NC2CC(C(=O)O)C2)CC1 871775072 FMXQHVUIKHROQV-UHFFFAOYSA-N 290.385 0.806 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cnn(C)n3)n[nH]c21 1875395123 MHVHNYCHZXWWME-SFYZADRCSA-N 290.327 0.490 0 50 CCAA CO[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1c1cn(C)nn1 886075095 AEQQLHJKXOGUDO-CMPLNLGQSA-N 264.329 0.722 0 50 CCAA O=C1NCCOc2ccc(NC(=O)C3(O)CC3)cc21 1181522351 MPJFJIMSLVESPA-UHFFFAOYSA-N 262.265 0.272 0 50 CCAA O=S(=O)(N1CCCC1)N1CCN(C2CCCC2)CC1 77762034 YPNZSBJPQXTMAS-UHFFFAOYSA-N 287.429 0.887 0 50 CCAA Cc1nn(C(C)C)cc1C(=O)N1CCOC[C@H]1C(=O)O 515073036 NMMGFDIOBFTIJC-NSHDSACASA-N 281.312 0.698 0 50 CCAA C[C@@H]1CCCCN1C(=O)Cn1cc(S(C)(=O)=O)cn1 901600791 IOVKBZURFKBHSZ-SNVBAGLBSA-N 285.369 0.688 0 50 CCAA COC(=O)CCC(=O)Nc1cccc(C(N)=O)c1 125327 NWFNFCHCYRRKEU-UHFFFAOYSA-N 250.254 0.677 0 50 CCAA O=C(O)CCN1CCN(S(=O)(=O)c2ccccc2)CC1 4856993 HIGVILJHIHBOBI-UHFFFAOYSA-N 298.364 0.468 0 50 CCAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)CC2 246032028 PWRBVCPOXSZKGH-RDBSUJKOSA-N 293.411 0.986 0 50 CCAA C[C@H](O)[C@@H](C)S(=O)(=O)[C@H](C)C(=O)N1CCCCC1 246208803 OQMDAUOGRJDKQC-HBNTYKKESA-N 277.386 0.572 0 50 CCAA CC[C@H](CO)NC(=O)c1cc(CN2CCC(O)CC2)on1 67489792 DQVNLWBZRSLMAI-SNVBAGLBSA-N 297.355 0.132 0 50 CCAA COc1cccc(CN2CCN(CCO)C[C@@H]2CCO)c1 23374882 IWTDPKMJKCKXIB-HNNXBMFYSA-N 294.395 0.556 0 50 CCAA CN1CCC[C@H]1C(=O)N1CCN(C[C@H]2CCC=CO2)CC1 249040621 UTTGSEWWVPDYPQ-CABCVRRESA-N 293.411 0.918 0 50 CCAA CCCN(CC(=O)O)C(=O)[C@@H]1CCN(C)C(=O)C1 139707644 GSBUJCFLYOCJAT-SECBINFHSA-N 256.302 0.178 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H]2CNC[C@]2(C(=O)O)C1 307656434 QLRBCEKKWVQZGG-PELKAZGASA-N 256.302 0.528 0 50 CCAA NC(=O)NCC(=O)NCCc1nc2ccc(Cl)cc2[nH]1 215853323 HVIUJTIUURXFRY-UHFFFAOYSA-N 295.730 0.543 0 50 CCAA Cn1cnc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 328810648 DYIVNFLDGORWKV-LLVKDONJSA-N 274.328 0.564 0 50 CCAA O=C(O)[C@]12CCCN[C@@H]1CCN(Cc1ncc[nH]1)C2 72469937 NEYBTLIMXYFAGA-MFKMUULPSA-N 264.329 0.438 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@@H](N2C(=O)N3CCC[C@@]3(C)C2=O)CC1=O 239527628 ATMXZJZGFKUAAQ-RSQPEXBXSA-N 291.351 0.812 0 50 CCAA CN(C)C/C=C/C(=O)N1CCc2ccccc2[C@H]1C(N)=O 363543170 DMDMNXUCRVAXBI-PXTSUWAFSA-N 287.363 0.716 0 50 CCAA CCC[C@H](CC)S(=O)(=O)CCCS(N)(=O)=O 359174889 XESHDIPBFZFONN-VIFPVBQESA-N 271.404 0.659 0 50 CCAA NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H]1COc2ccccc21 241338574 MBXNLQGCFNPQIR-WOPDTQHZSA-N 274.320 0.933 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)COCc1ccccc1 72164950 CYVLVSQGYVEKBF-ZDUSSCGKSA-N 293.319 0.905 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 219886562 POTNHTJHQBBRMZ-CWSCBRNRSA-N 287.323 0.750 0 50 CCAA CO[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 76389295 PFGYRBORVOUHSR-VIFPVBQESA-N 259.331 0.220 0 50 CCAA Cc1c[nH]cc(C(=O)N(C)Cc2cnn(C)c2)c1=O 334033377 XQTOETDBXHVOLR-UHFFFAOYSA-N 260.297 0.689 0 50 CCAA Cc1noc(C2CCN(C(=O)[C@H]3C[C@H]3C(=O)O)CC2)n1 262659294 UBYMNEGJQHVWHR-VHSXEESVSA-N 279.296 0.805 0 50 CCAA O=C([C@H]1CNCCO1)N1CCc2n[nH]c(C3CCC3)c2C1 72426625 GCUFHGPIOSRTGU-CYBMUJFWSA-N 290.367 0.550 0 50 CCAA Cn1cccc1[C@@H]1COCCN1CC1OCCO1 131820149 BRSROMVOJUZFGN-LBPRGKRZSA-N 252.314 0.771 0 50 CCAA CNC(=O)C1(C)CCN(C(=O)c2[nH]nc(N)c2Cl)CC1 215468466 OWLKMGXECCVTPA-UHFFFAOYSA-N 299.762 0.634 0 50 CCAA CN1CCN(Cc2nnnn2C(C)(C)C)CCC1=O 521398726 HGTXWSCRWGFONG-UHFFFAOYSA-N 266.349 0.092 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2cc[nH]n2)C1 284549204 LIGWNCLQUKHLFD-STQMWFEESA-N 278.356 0.621 0 50 CCAA COc1cccc(-c2noc(CNS(C)(=O)=O)n2)c1 41153609 BATJHFOSLSZCEB-UHFFFAOYSA-N 283.309 0.794 0 50 CCAA O=C(NCc1ccco1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 177590329 BWIXWXSZPVAPKM-SECBINFHSA-N 274.280 0.672 0 50 CCAA COc1ncc(C(=O)N(C)CC2(C)COC2)cn1 426618081 GDHYPKMLRFVEAV-UHFFFAOYSA-N 251.286 0.594 0 50 CCAA Cc1nc(CNC(=O)[C@@H]2COC(=O)N2)nc2c1CCCC2 426388082 XYPRFNHJDNKHAK-NSHDSACASA-N 290.323 0.388 0 50 CCAA Cc1nc(C)n(CCCNC(=O)[C@@H](C)N(C)C)n1 426491133 XCVCDANTVVGURB-SECBINFHSA-N 253.350 0.351 0 50 CCAA O=C(c1cn2cccnc2n1)N1C[C@@H]2CCCN[C@@H]2C1 97772784 XTEKTQVRULULKF-WDEREUQCSA-N 271.324 0.553 0 50 CCAA COCCN1C[C@H]2CC[C@@H]1CN(c1cc(C)nc(N)n1)C2 91364877 BPDAXNBMZHXTFW-CHWSQXEVSA-N 291.399 0.914 0 50 CCAA C[C@@H](C(=O)N1CCN(c2nc[nH]n2)CC1)N1CCCCC1 426407715 WQBIFJDEXMKHPU-LBPRGKRZSA-N 292.387 0.328 0 50 CCAA Cc1n[nH]c(C2CC2)c1C(=O)NCCOCCO 97259235 IWMCSOLFYJMTBI-UHFFFAOYSA-N 253.302 0.334 0 50 CCAA CCc1nnc(CN2C(=O)COc3cccnc32)o1 95375692 PPLSCTFLHDMLKJ-UHFFFAOYSA-N 260.253 0.953 0 50 CCAA C[C@H](NC(=O)NCC1(O)CCN(C)CC1)c1cnn(C)c1 341177486 MMKBXCDDCNWESF-NSHDSACASA-N 295.387 0.237 0 50 CCAA C[C@@H](OCC1CC1)C(=O)N1CCO[C@@H](C(=O)O)C1 299750356 NFDRZKUHJIQEBT-PSASIEDQSA-N 257.286 0.114 0 50 CCAA CCn1nccc1S(=O)(=O)N1CCC[C@]2(CCNC2)C1 367473094 AVRRBLCJWVLFTJ-CYBMUJFWSA-N 298.412 0.667 0 50 CCAA CC[C@H](C)[C@H]1C(=O)N2C[C@H](N(C)C)C[C@H]2C(=O)N1C 823441453 BMYNZWWVKSMWGU-USZNOCQGSA-N 267.373 0.404 0 50 CCAA Cn1c(C(=O)NCc2ccsc2)cc(=O)n(C)c1=O 828407452 OZRGMEDKPVADSU-UHFFFAOYSA-N 279.321 0.076 0 50 CCAA O=c1c2ncccc2ncn1C[C@H](O)CN1CCCC1 584887034 FVZBAAWFGKGZHL-LLVKDONJSA-N 274.324 0.248 0 50 CCAA C[C@H]1CCc2[nH]nc(C(=O)NCCc3cnn[nH]3)c2C1 584884548 FQULJASQGYVIGI-QMMMGPOBSA-N 274.328 0.625 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1cnc(O)c(Cl)c1 670462225 HVPUJVVBNXPPRK-PSASIEDQSA-N 295.726 0.991 0 50 CCAA Cc1ccoc1C(=O)NCC1CCN([C@@H](C)C(N)=O)CC1 952968905 GZQTVFGHRYLVIV-NSHDSACASA-N 293.367 0.904 0 50 CCAA Cn1nccc1CCC(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1565507597 BIIYPVVYWDJZGG-RYUDHWBXSA-N 276.340 0.289 0 50 CCAA C[C@H]1CN(C)[C@H](C)CN1c1ncnc2[nH]c(=N)ccc12 408434360 GCLYSRPILNEXHG-ZJUUUORDSA-N 272.356 0.966 0 50 CCAA CN(C)c1ncc(CNC(=O)c2csnn2)cn1 170083010 XNKOLFHFZMYKEC-UHFFFAOYSA-N 264.314 0.324 0 50 CCAA CC(C)COC[C@H](O)CN1C(=O)NC2(CCC2)C1=O 171127136 PLZGDSNSFPDIME-SNVBAGLBSA-N 270.329 0.494 0 50 CCAA C[C@@H]1CO[C@@H](CO)CN1C(=O)Cc1cnn2c1CCCC2 631877315 BSWSTVCLDRWXQH-DGCLKSJQSA-N 293.367 0.370 0 50 CCAA COCCN1CCCN(C(=O)CN2CC(C)(C)C2)CC1=O 553554973 CMJXTZJAGMZPEW-UHFFFAOYSA-N 297.399 0.036 0 50 CCAA Cc1nc(CNC(=O)N2CC[C@H](C)[C@@H]2CO)no1 190602843 RJMIIQRTWFPJIF-CBAPKCEASA-N 254.290 0.290 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)CCC(F)(F)F 643941762 NTUMDOLMEQXDRM-JTQLQIEISA-N 282.262 0.822 0 50 CCAA O=C(O)C[C@@H](NC(=O)c1cn[nH]c1)C(F)(F)F 710736122 OBYFAXBUSVCETQ-RXMQYKEDSA-N 251.164 0.545 0 50 CCAA NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](O)C1 195491134 LZOXXZWLLQYDLA-VXGBXAGGSA-N 277.324 0.379 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCO[C@H](C(F)F)C1 908037642 VDJASTOVRCZELQ-VIFPVBQESA-N 276.283 0.513 0 50 CCAA Cc1nnc(CN2CCC([C@H](O)CO)CC2)s1 1772706239 PHPQWICMPYHFIU-SNVBAGLBSA-N 257.359 0.412 0 50 CCAA CCc1c(C(=O)N[C@H]2C[C@H](N)C23CCC3)nnn1CC 1615553419 GYTXRQMJTOYIRV-QWRGUYRKSA-N 277.372 0.860 0 50 CCAA C[C@H](CN1CCCC1)CN(C)C(=O)c1cncc(=O)[nH]1 1506419930 MICLAQJADHAGEE-NSHDSACASA-N 278.356 0.574 0 50 CCAA Cn1nc(C(N)=O)c2c1CCN(c1ncccc1F)C2 1506396885 MJTOFGZRZLUWMF-UHFFFAOYSA-N 275.287 0.616 0 50 CCAA CCOC(=O)[C@H](Cc1ccccc1)[N@]1C[C@H]1C(N)=O 1857666466 HLOLXTJETWRSPL-MKBNYLNASA-N 262.309 0.330 0 50 CCAA CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)O1 3956910 KEJGAYKWRDILTF-JDDHQFAOSA-N 260.286 0.375 0 50 CCAA biogenic,in-vitro CO[C@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@H]1OC 332740326 YVHPUPGWSFKSHJ-DTORHVGOSA-N 287.747 0.868 0 50 CCAA OCCN1CCN(C(=S)Nc2ccccc2)CC1 13571436 HHUJHVVWIFUAAH-UHFFFAOYSA-N 265.382 0.993 0 50 CCAA CC(=O)N(C[C@@H]1CCCN1Cc1nnnn1C)C1CC1 364718582 WRZLMRQOZAECQE-LBPRGKRZSA-N 278.360 0.185 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)NCc1cnccn1 1579291846 RWUOLRCGSIQEET-INIZCTEOSA-N 298.346 0.902 0 50 CCAA O=C(NCc1[nH]nc2ncccc12)c1cc2ncccn2n1 1772815471 SAIJUCNLLRUGGW-UHFFFAOYSA-N 293.290 0.931 0 50 CCAA CN(C)c1ncccc1CNC(=O)c1ccnn1C 19145196 LKZBBBAFUAQNKR-UHFFFAOYSA-N 259.313 0.811 0 50 CCAA O=C(NCCN1CCNCC1)c1ccccc1F 19680738 MKYHXDARARLYAE-UHFFFAOYSA-N 251.305 0.461 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)C[C@@H](C)O1 169676190 MCCIXOYTXXAQIM-IMSYWVGJSA-N 255.314 0.979 0 50 CCAA O=C1C[C@H]2CN(c3cnc4ccccc4n3)C[C@H]2N1 1857678896 CGOAMXWFDBDOCU-JOYOIKCWSA-N 254.293 0.955 0 50 CCAA N[C@@H](CCCCNC(=O)c1cccnc1)C(=O)O 2506601 GPGQRQZBZHOSJY-JTQLQIEISA-N 251.286 0.394 0 50 CCAA in-vitro CN1CC[C@@H](N2CCCN(C(=O)c3ccc[nH]3)CC2)C1=O 371660526 QLFIXGUBWQKMLK-CYBMUJFWSA-N 290.367 0.393 0 50 CCAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]1CCCNC1)CC2 161892008 GJPVDTJKWPXDNM-MGPQQGTHSA-N 296.411 0.765 0 50 CCAA Cn1ncc(CNC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)n1 811918439 SJNUYEVRYCODPJ-RYUDHWBXSA-N 293.371 0.914 0 50 CCAA O=C1CC(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)=NN1 817026913 ADOJKDFMXUYQIS-SECBINFHSA-N 290.298 0.397 0 50 CCAA COc1ccc([C@@H]2NC(=O)[C@@H](C(C)C)NC2=O)cc1O 1875278915 WVAJOFWYBGZUTJ-NEPJUHHUSA-N 278.308 0.713 0 50 CCAA Cc1[nH]nc2ncnc(N3CC[C@@H](c4nc[nH]n4)C3)c12 1875295460 YSEBKEQWOJJIKE-MRVPVSSYSA-N 270.300 0.773 0 50 CCAA C[C@@H]1CCCN[C@@H]1C(=O)N1CC2(CCCNC2)C1 1875316795 HAYUBHLYJFUGLV-NEPJUHHUSA-N 251.374 0.587 0 50 CCAA C[C@@H]1CCO[C@H]1CC(=O)N1CCc2c(O)nc(O)nc2C1 1875307722 SLDBOACEMJNITM-KCJUWKMLSA-N 293.323 0.588 0 50 CCAA O=C([C@@H]1CC[C@@H]2COCC[C@@H]2C1)N1C[C@H](O)CO1 1875341996 SHMBMZVZSUFSSO-KKOKHZNYSA-N 255.314 0.574 0 50 CCAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2nc(N(C)C)no2)C1 888079235 NNOOUEMCVNPXNU-NXEZZACHSA-N 292.343 0.821 0 50 CCAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)C1=NN(C)C(=O)CC1 263517944 PNAZNEIJBXEDRP-IUCAKERBSA-N 281.312 0.306 0 50 CCAA NC(=O)[C@@]1(O)CCCN(C(=O)Cc2cccc(F)c2)C1 285373646 FMIFLVLMMAJAPK-CQSZACIVSA-N 280.299 0.207 0 50 CCAA CCNC(=O)c1ccc(N2CCC(CCO)CC2)nn1 400952799 GDSHWZJFVFGGHG-UHFFFAOYSA-N 278.356 0.825 0 50 CCAA CCc1nc(C)c(C(=O)N2CC[C@](O)(CN(C)C)C2)o1 72146622 GHLWQJPMKXSWGD-AWEZNQCLSA-N 281.356 0.684 0 50 CCAA CO[C@H]1COCC[C@@H]1Nc1cc(N)nc(SC)n1 310879717 RGUSXQLTAYSVJS-YUMQZZPRSA-N 270.358 0.997 0 50 CCAA Cc1cc(NCCN2CCCOC2=O)nc(N)n1 91679066 XYYMAFVNEVPELL-UHFFFAOYSA-N 251.290 0.621 0 50 CCAA O=C1CNC(=O)N1CCCN1CCO[C@H](C2CC2)C1 368887438 IGTXNDAWFLCUBQ-NSHDSACASA-N 267.329 0.039 0 50 CCAA CCCn1ncnc1CN1CC[C@@H](N2CCOCC2)C1 369477198 RZHLFONOSSNLKU-CYBMUJFWSA-N 279.388 0.595 0 50 CCAA Cn1cc(N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cn1 929764546 RACKWAOKHXMGQP-CYBMUJFWSA-N 298.412 0.119 0 50 CCAA O=C1CCCN1C[P@](=O)(O)CN1CCOCC1 62016 DCKKGMDDWRTDJO-UHFFFAOYSA-N 262.246 0.126 0 50 CCAA CCCc1c(C(=O)NCCO)nnn1-c1ccccc1 12274781 NOZDKGUALMLKIG-UHFFFAOYSA-N 274.324 0.942 0 50 CCAA C[C@@H]1O[C@@H](O[C@H](C)CC/C=C/C(=O)O)[C@H](O)C[C@H]1O 36386561 GGHOMCWJOMBZEK-LHYQPRBASA-N 274.313 0.669 0 50 CCAA in-vitro CO[C@H]1CC[C@H]1CC(=O)N1CCc2nn(C)c(=O)cc2C1 2325804539 YJTOXRTTZVUGLX-GWCFXTLKSA-N 291.351 0.480 0 50 CCAA O=C1N[C@@H](CC(=O)N2C[C@@H]3CNC[C@@H]3C2)c2ccccc21 102538553 DODMUDLEDMOVEV-WDMOLILDSA-N 285.347 0.539 0 50 CCAA COc1cnc(NC(=O)N[C@@H]2CCN(C(C)C)C2=O)cn1 225851252 CHNVLJVSWPEMMZ-SECBINFHSA-N 293.327 0.616 0 50 CCAA O=C1NC(=O)[C@H](CCC(=O)N2CCC3(CCCC3)C2)N1 173764447 VOJCEHQHUKNNIY-JTQLQIEISA-N 279.340 0.767 0 50 CCAA CCn1c(C2CCNCC2)nn(C[C@H]2CCCO2)c1=O 65435827 GJLLGCGSQGCRSY-GFCCVEGCSA-N 280.372 0.711 0 50 CCAA CN(C)CCNS(=O)(=O)Cc1ccccc1F 13671115 YSLHOEHYIVIGAH-UHFFFAOYSA-N 260.334 0.807 0 50 CCAA CN(CCCc1cnn(C)c1)C(=O)C[C@H]1COCCN1 72166764 OROBLZHMMSOXPC-ZDUSSCGKSA-N 280.372 0.190 0 50 CCAA COC(=O)NCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 77297847 VEAIXGNGSPREMK-VIFPVBQESA-N 266.301 0.472 0 50 CCAA O[C@]1(CNCCOCc2ccccc2)CCNC1 77323081 KBMLMIIWVZDZIV-CQSZACIVSA-N 250.342 0.517 0 50 CCAA CC(C)CN1CCO[C@@H](CNCc2cncn2C)C1 236781097 IJLLITIZNOPYGL-AWEZNQCLSA-N 266.389 0.867 0 50 CCAA NC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]1CCNC1 261874925 RRQAWIXSZQSZOT-KGLIPLIRSA-N 289.379 0.589 0 50 CCAA Cc1cc(N[C@@H]2CCc3nnnn3CC2)nc(C)n1 333841838 LIOXNBITOBJFLM-SNVBAGLBSA-N 259.317 0.897 0 50 CCAA CCc1cc(N[C@H]2CNC[C@@H]2OC)n2nccc2n1 72425793 ROTOKNAMLGDVBL-QWRGUYRKSA-N 261.329 0.690 0 50 CCAA COCCn1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)n1 377013382 JYCRZVFBVLIAAB-CYBMUJFWSA-N 279.340 0.781 0 50 CCAA CC1(C)OC[C@@H]([C@@H]2OC(=O)[C@H]3OC(C)(C)O[C@H]32)O1 43763715 OFZPAXSEAVOAKB-JBDRJPRFSA-N 258.270 0.583 0 50 CCAA CN(CC1CC1)C[C@@H]1CN(C(=O)c2cncnc2)CCO1 328639466 PNYAJFGZAOSVCV-CQSZACIVSA-N 290.367 0.659 0 50 CCAA CCc1nnc(CNC(=O)Cn2ccnc2)s1 223525338 GOISHJGMTSJUKZ-UHFFFAOYSA-N 251.315 0.613 0 50 CCAA Cc1nc(N)ncc1C(=O)NCCCNc1cccnc1 221292672 UVPJLYQRLXSXPO-UHFFFAOYSA-N 286.339 0.994 0 50 CCAA CCO[C@H]1CN(C(=O)Cc2noc3ccccc23)C[C@@H]1O 223847242 SUJQGNAHBIBACT-JSGCOSHPSA-N 290.319 0.979 0 50 CCAA Cn1ccnc1SCCNC(=O)c1ccnn1CCO 426555904 NCSKATQEZKWTPO-UHFFFAOYSA-N 295.368 0.131 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H](C(=O)O)C2)n1 178266236 MPXPJRGHDFFVFM-MNOVXSKESA-N 265.313 0.994 0 50 CCAA COCCN1C[C@H](Cc2cccc(F)c2C(N)=O)CC1=O 222343398 WHDOATCGCWTDTK-SNVBAGLBSA-N 294.326 0.962 0 50 CCAA Cc1cccnc1N1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 426397361 IDNHMMSJTHBZFW-NSHDSACASA-N 290.323 0.147 0 50 CCAA CN1CC[C@@H](NC(=O)c2ccccc2-n2cnnc2)C1=O 426420644 MJRWMNFWQMIPSX-LLVKDONJSA-N 285.307 0.228 0 50 CCAA NC(=O)Cn1ccnc1C1CCN(CCC(=O)O)CC1 95507082 GQOCKGXMDKKGKT-UHFFFAOYSA-N 280.328 0.023 0 50 CCAA CNCc1nnc(SCc2ccc(C(=O)NC)o2)n1C 426589813 RVJCPDZEJYDNAF-UHFFFAOYSA-N 295.368 0.779 0 50 CCAA CN(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CCNC1 179111181 IVDDUKNONNUTPU-DTWKUNHWSA-N 293.289 0.218 0 50 CCAA COc1c[nH]c(C(=O)NCC2CCOCC2)cc1=O 524732916 ZXGKTHQAEVMQNO-UHFFFAOYSA-N 266.297 0.540 0 50 CCAA Cc1c[nH]c(CN(C)C(=O)C[C@@H]2CN(C)CCN2C)n1 244735048 NSERNTRIMSVEDB-GFCCVEGCSA-N 279.388 0.312 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)C[C@@H]1CN(C)CCN1C 244647031 GTVSGXVYKPXFNS-CYBMUJFWSA-N 294.399 0.886 0 50 CCAA Cn1cc(CCC(=O)N[C@H]2COC[C@@H]2N2CCCC2)cn1 534584505 ZHPDVNQPZHHFHC-KBPBESRZSA-N 292.383 0.332 0 50 CCAA Cc1ncsc1CCN(C)C(=O)[C@@H]1C=CCN1 534590639 HFTSSNIFXJLWQC-JTQLQIEISA-N 251.355 0.980 0 50 CCAA CC1(C)C[C@@H](C(=O)NCCn2ccnn2)CCO1 534633028 SALAVBNXUGFMDX-JTQLQIEISA-N 252.318 0.600 0 50 CCAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)C[C@@H]1CCCOC1)C2 534656804 QMGKMVUXZNGUCI-FMSGJZPZSA-N 252.358 0.999 0 50 CCAA CC(=O)N1CCO[C@H](CNC(=O)c2ccn(C)c2C)C1 534578903 OBFGLVUWRVCLSS-GFCCVEGCSA-N 279.340 0.311 0 50 CCAA O=C(OCc1ccccc1)N1CC2(C1)OCC(CO)CO2 263623110 DSQQTEDFZIDQAE-UHFFFAOYSA-N 293.319 0.990 0 50 CCAA O=C(c1cccc2c1OCCO2)N1CC[C@@H](O)[C@@H](CO)C1 396923147 SVEWSYUXCUYTHE-ZYHUDNBSSA-N 293.319 0.273 0 50 CCAA O=C(O)C[C@H]1CN(c2ncc(F)cn2)C[C@H]1c1c[nH]nn1 299765082 UZNFWGBNHAKBGV-IONNQARKSA-N 292.274 0.429 0 50 CCAA CCc1noc(CNC(=O)[C@]2(C)CC(C)=NO2)n1 584900060 IWALDWZIMMMNHL-NSHDSACASA-N 252.274 0.803 0 50 CCAA CC[C@@H]1CN(C(=O)c2c(C)ncn2C)CCN1C 584904219 FYSXTZOVTYLGRW-LLVKDONJSA-N 250.346 0.895 0 50 CCAA C[C@H]1CN(S(=O)(=O)Cc2noc(C3CC3)n2)CCO1 1365630240 LEYUMXWENAIIAI-QMMMGPOBSA-N 287.341 0.498 0 50 CCAA O=C(CCCn1cncn1)N[C@@H](CO)Cc1ccccc1 767103616 QWHJJLQFFMGRFP-CQSZACIVSA-N 288.351 0.778 0 50 CCAA Cc1nc2c([nH]1)CC[C@@H](C(=O)N(CCO)C1CC1)C2 164961968 KRJWRSRCBLZJMX-SNVBAGLBSA-N 263.341 0.806 0 50 CCAA COC[C@@H](NC(=O)c1cn(C2CCNCC2)nn1)C(C)C 86698971 MJKYQHFCRYCLMW-CYBMUJFWSA-N 295.387 0.603 0 50 CCAA Cn1nnc2c1[C@@H](C(=O)O)CN(C(=O)OC(C)(C)C)C2 91303423 XVFGRNPTDDWFIY-ZETCQYMHSA-N 282.300 0.734 0 50 CCAA in-vitro Cc1nonc1CON1C[C@H](C(=O)OC(C)(C)C)CC1=O 585122916 INYGMBYOJBYKQE-SECBINFHSA-N 297.311 1.000 0 50 CCAA O=C(COC[C@H]1CCCO1)N1CCO[C@H]1C(F)(F)F 585125030 DPGMFPSJMBKIDB-SCZZXKLOSA-N 283.246 0.929 0 50 CCAA Cc1ccc(CC(=O)N2CCOC[C@@]23CCOC3)cn1 194413255 RHAGPJPTQPGRHR-HNNXBMFYSA-N 276.336 0.950 0 50 CCAA C[C@H](C(=O)N1CCN(C(=O)C2CC2)C1)c1cnn(C)c1 1615546701 BVTWISMYYFWRPU-JTQLQIEISA-N 276.340 0.562 0 50 CCAA Cc1nncn1CCN1CCCC[C@@H]1CN1CCOCC1 1506395689 KWQZENKWEARGBB-OAHLLOKOSA-N 293.415 0.773 0 50 CCAA CN(C)CCc1nnc(NC(=O)[C@H]2CCCN2)s1 1529173685 OFEOTKRTAZZYOM-MRVPVSSYSA-N 269.374 0.333 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cn2c(n1)SCC2 1875333342 PBHCARHTTXMJEI-NSCUHMNNSA-N 267.310 0.448 0 50 CCAA Cc1nnc2n1C[C@@H](CNC(=O)c1ccc3c[nH]nc3n1)C2 1775979538 WTSCLRQIJCLMED-SECBINFHSA-N 297.322 0.460 0 50 CCAA O=C([C@@H]1CCCNC1)N1CC[C@@](O)(C(F)(F)F)C1 161818196 DPLRXBSMHYGNNP-SCZZXKLOSA-N 266.263 0.512 0 50 CCAA CO[C@H]1[C@H](O)[C@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]12 15657747 IPNUFAHKROGNMZ-HGQQYVGVSA-N 274.313 0.416 0 50 CCAA O=C1C[C@H]2NCC[C@H]2N1Cc1nc(-c2cccnc2)no1 1857689577 HJEFHVGZCVHBHT-GHMZBOCLSA-N 285.307 0.594 0 50 CCAA Cc1ccccc1OC1CN(C(=O)[C@H]2CNCCOC2)C1 1857691390 JELIYGRYKPQJPP-ZDUSSCGKSA-N 290.363 0.821 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)c2[nH]ccc2C2CC2)C1 643995873 QLBHNFMIUGURJN-OAHLLOKOSA-N 291.351 0.735 0 50 CCAA CC1CCN(C[C@H](C)N=c2nc3[nH][nH]cc-3c(O)n2)CC1 664456352 JTHDHQOKTBJZFZ-JTQLQIEISA-N 290.371 0.964 0 50 CCAA CN1CCCC[C@H]1C(=O)NC1(CO)CCSCC1 585120717 FAPLZCRDNZIADB-NSHDSACASA-N 272.414 0.845 0 50 CCAA O=C(NC[C@@H](O)c1ccc(F)cc1)[C@]1(O)CCCNC1 852811790 KSRDGZDRVYZBAP-OCCSQVGLSA-N 282.315 0.090 0 50 CCAA O=C(O)c1ccc(C(=O)NC2(CO)CC(F)(F)C2)nc1 1875292271 CEWCDUWCVOACPB-UHFFFAOYSA-N 286.234 0.670 0 50 CCAA O=C(NCCC(=O)N1CCCCO1)c1ncccc1O 1875264849 HIBTWNBFHCFAFB-UHFFFAOYSA-N 279.296 0.461 0 50 CCAA Nc1onc2c1CN(C(=O)c1cccc3nncn13)CC2 1875361597 WJCOOQDEZOWAOM-UHFFFAOYSA-N 284.279 0.498 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)c3cncc(O)c3)[C@H]2C1 285678578 HNKVTMOHZBEEQE-STQMWFEESA-N 277.324 0.332 0 50 CCAA Cn1ncc(N[C@@H]2CCC[C@H]2O)c(Br)c1=O 309509062 OLOKUTUYYHTGRY-HTRCEHHLSA-N 288.145 0.868 0 50 CCAA O=C(NCCc1nccs1)[C@@H]1CNCCOC1 649303684 SUVARFRXSZOEBM-SECBINFHSA-N 255.343 0.038 0 50 CCAA Cn1cc(N)c(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)n1 179067 MYHCNTBNOPKYRU-UHFFFAOYSA-N 285.263 0.138 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 252435 XGZDJJYYGOVVJV-UHFFFAOYSA-N 288.394 0.856 0 50 CCAA NCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 2520595 LSQMFLNZBVUMNE-UHFFFAOYSA-N 287.319 0.342 0 50 CCAA CCO[C@H]1NC(=O)NC(=O)[C@]1(C)Br 3121593 REDLIYNRQBSZJD-VDTYLAMSSA-N 251.080 0.342 0 50 CCAA O=C(O)c1ccc(CN[C@@H]2CCS(=O)(=O)C2)cc1 4176574 MOJLIMGDPWKZAO-LLVKDONJSA-N 269.322 0.662 0 50 CCAA O=C1NCCN(C(=O)c2cc[nH]n2)[C@@H]1c1ccccc1 225523492 SQXVYQCWZRIMIV-GFCCVEGCSA-N 270.292 0.723 0 50 CCAA Cc1ncsc1CN(C)C(=O)[C@@H]1CNCCO1 111668870 YBIRMDWRRJSTPX-VIFPVBQESA-N 255.343 0.398 0 50 CCAA O=C(NCC1(C(=O)O)CCOCC1)c1cnsn1 138128907 CYNALZRWICDXFZ-UHFFFAOYSA-N 271.298 0.149 0 50 CCAA COC(=O)CN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100566631 JCWOWMQNZUIOCI-SNVBAGLBSA-N 280.255 0.220 0 50 CCAA CCS(=O)(=O)CCNC(=O)[C@@H]1COc2ccccc2C1 68059586 SIBQVYBQDDJSRE-LBPRGKRZSA-N 297.376 0.789 0 50 CCAA COCCN(C)S(=O)(=O)c1cnn(CC(F)F)c1 331157628 KGIRFTPMKYHKDD-UHFFFAOYSA-N 283.300 0.415 0 50 CCAA COC(=O)c1nc(Br)n2c1CNCC2 214628231 FIIHEKAPDXWFIC-UHFFFAOYSA-N 260.091 0.535 0 50 CCAA COc1cnc(N2CCC[C@H](CCC(N)=O)C2)nc1 77504009 YDIQVGIPIIBSTB-SNVBAGLBSA-N 264.329 0.967 0 50 CCAA COC(=O)CCN1C[C@@H](C)N(CCC(=O)OC)C[C@@H]1C 71771296 VSGRPYHDZGUYJH-TXEJJXNPSA-N 286.372 0.507 0 50 CCAA COC(=O)[C@@H](C)CNC(=O)c1ccnc(CN)c1 361610543 NRQXBTDDWTVTOP-QMMMGPOBSA-N 251.286 0.079 0 50 CCAA C[C@@H](NC(=O)c1cnc2ccccc2n1)c1nc(=O)[nH][nH]1 216054260 HYPOQZULFRRJAG-SSDOTTSWSA-N 284.279 0.532 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)c1cnc2n1CCCC2 371018758 OBYLDWKXKIKRRU-LLVKDONJSA-N 290.367 0.960 0 50 CCAA O=C(CCc1nc(-c2ccccc2)no1)N1C[C@H](O)CO1 77538005 HWIZHLBBBGWYPE-NSHDSACASA-N 289.291 0.804 0 50 CCAA Cc1nc(=O)c2c([nH]1)CCN(C(=O)c1ccoc1)CC2 215437607 CNGSIZNZPVYOAJ-UHFFFAOYSA-N 273.292 0.912 0 50 CCAA CN(C)C(=O)[C@H](NC(=O)c1cc(N)[nH]n1)c1ccccc1 219292150 KNAPCZXBIPZSLP-GFCCVEGCSA-N 287.323 0.551 0 50 CCAA CO[C@@H]1CN(C(=O)C[C@@H]2COc3ccccc3O2)C[C@H]1O 333688762 BMDWNZNHAODKRP-JTNHKYCSSA-N 293.319 0.435 0 50 CCAA Cn1cc([C@]2(C)CN(C(=O)[C@@H]3CCCN3)CCO2)cn1 237713391 GVMAGHCMLGPOOC-JSGCOSHPSA-N 278.356 0.246 0 50 CCAA Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2)C1 237889489 ICLNZPMVDAVJDJ-STQMWFEESA-N 276.384 0.953 0 50 CCAA CNc1cc(-c2c(C)n(C)c(=O)n(C)c2=O)c2cc[nH]c2n1 72133284 MQFLDJHRZZSCFD-UHFFFAOYSA-N 299.334 0.977 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2ncc(Cl)cc2F)C1 284618961 SLCOEZHUUKJNJV-CBAPKCEASA-N 273.695 0.953 0 50 CCAA CC[C@@H](NC(=O)c1cnc(O)cn1)[C@H]1C[C@@H](O)C1 222704614 MXMKXPKEQDANKS-IWSPIJDZSA-N 251.286 0.462 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@@H](C)CN2CCOCC2)cn1C 426658484 SNUJCEQKCXUMOH-NSHDSACASA-N 293.367 0.144 0 50 CCAA CN[C@@H](C)C(=O)N1CCN(c2cccc(OC)c2)C(=O)C1 91651597 PQBAAPXMVDAKRT-NSHDSACASA-N 291.351 0.478 0 50 CCAA Cc1nncn1CCn1c(=O)cnc2ccccc21 95381477 CJPBXDSWENJPNQ-UHFFFAOYSA-N 255.281 0.997 0 50 CCAA O=C(N[C@@H]1CNC[C@H]1O)NC12CC3CC(CC(C3)C1)C2 534592249 VKTFAKGZTZJBHT-RGVKIIRZSA-N 279.384 0.587 0 50 CCAA CCN1CCC[C@@H]1Cn1ncc(N(C)C)cc1=O 95355697 MODMODOKSZBHSC-LLVKDONJSA-N 250.346 0.794 0 50 CCAA CCC[C@@]1(CO)CCCN(CC(=O)N2CCOCC2)C1 92028017 RQSGFQKHEALYFQ-OAHLLOKOSA-N 284.400 0.720 0 50 CCAA COC(=O)C(C(=O)OC)c1ncc(Cl)cc1N 95494846 DKEWAMRUBCMPHF-UHFFFAOYSA-N 258.661 0.747 0 50 CCAA Cc1cc(CNC(=O)c2ccccc2-c2nnn[nH]2)n(C)n1 97632040 VSDVRMVEADHYOI-UHFFFAOYSA-N 297.322 0.839 0 50 CCAA CN(CCC(=O)O)C(=O)c1cccc2c1OCC(=O)N2 299752483 UGMSZGDMKKYLSG-UHFFFAOYSA-N 278.264 0.564 0 50 CCAA COc1ccc(C)cc1S(=O)(=O)n1cncn1 252500476 SWKBITYSVCDJLR-UHFFFAOYSA-N 253.283 0.832 0 50 CCAA O=C(NCc1noc(-c2ccco2)n1)[C@H]1C=CCN1 534588900 TVXMVGHYSDEUPV-MRVPVSSYSA-N 260.253 0.474 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CC[C@H](N)C[C@H]1C 534637694 KWKXUVDJVHHTJC-MNOVXSKESA-N 286.401 0.712 0 50 CCAA Nc1cccc(C(=O)NCc2noc([C@@H]3CCCO3)n2)n1 534632362 BHIJIFUDSNHJJR-VIFPVBQESA-N 289.295 0.828 0 50 CCAA CS(=O)(=O)NCCC(=O)N1CCOC2(CCCC2)C1 532502842 HNSMJUINWMBIRJ-UHFFFAOYSA-N 290.385 0.097 0 50 CCAA Cc1nc(CCNC(=O)C[C@@H]2CNCCO2)sc1C 269247296 FBDIHDULSJOGKZ-LLVKDONJSA-N 283.397 0.797 0 50 CCAA COc1ccnc(CN2CC[C@@](C)(O)[C@@H](O)C2)c1 96132480 FWNKXOJDZQIPNB-QWHCGFSZSA-N 252.314 0.408 0 50 CCAA Cc1nnc(CNC(=O)c2nnc(O)c3ccccc23)o1 825295898 ZIRVDLCTEKMEFG-UHFFFAOYSA-N 285.263 0.957 0 50 CCAA C[C@@H](CS(C)(=O)=O)NCCCn1ccccc1=O 670455826 RQCZZMOKLCIVPY-NSHDSACASA-N 272.370 0.261 0 50 CCAA CN(C)C(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cn2)CCO1 670460145 FKWGOOKBKOBABB-NSHDSACASA-N 297.742 0.664 0 50 CCAA Cn1nc(C(=O)NC[C@H]2Cc3ccccc3CN2)cc1N 1550191051 DQXDYRBUZCZRTA-GFCCVEGCSA-N 285.351 0.447 0 50 CCAA COc1ccnc(CN2C[C@H]3CCN[C@H]3C2)c1OC 1565528209 OQIKSXPQKDBMSA-MNOVXSKESA-N 263.341 0.893 0 50 CCAA CC1=CC[C@H]2CN(C(=O)c3cn(C)c(=O)nc3O)C[C@H]2C1 1565529475 QRFIMCAQSZRAGN-WDEREUQCSA-N 289.335 0.914 0 50 CCAA COC[C@@H]1CN(c2ncnc(N)c2Cl)C[C@H](C)O1 277964046 YNROIYLBRWBXOR-YUMQZZPRSA-N 272.736 0.952 0 50 CCAA CN(C[C@@H](O)C1CC1)S(=O)(=O)c1ccccc1N 170597032 OLSSGTRTDCSZEE-LLVKDONJSA-N 270.354 0.660 0 50 CCAA CCc1nc(CN2CCN(c3ccncn3)CC2)no1 170606594 AHPQTAAVTVQOJQ-UHFFFAOYSA-N 274.328 0.744 0 50 CCAA CO[C@H](C)CS(=O)(=O)NCc1c(C)noc1C 170616487 NZXUDUPHJZZOHK-SSDOTTSWSA-N 262.331 0.746 0 50 CCAA C[C@H]1CN2CCCC[C@@H]2CN1C(=O)CCc1nn[nH]n1 631360495 NSVSDHSIZXGRNM-WDEREUQCSA-N 278.360 0.218 0 50 CCAA O=C1NC(=O)[C@]2(CCCN(Cc3cnn4ccccc34)C2)N1 193471883 FTGGJORJDVYTGZ-OAHLLOKOSA-N 299.334 0.508 0 50 CCAA O=C1C[C@H](C(=O)NCc2cccnc2-n2ccnc2)CN1 194865652 ATKAIIXBDGHISR-NSHDSACASA-N 285.307 0.020 0 50 CCAA Cn1cc(N2CCN(C(=O)C[C@H]3CCCNC3)CC2)cn1 655448483 LAJZRAQIUMFXIU-CYBMUJFWSA-N 291.399 0.458 0 50 CCAA CCCC[C@@H](N=c1[nH]c(=N)[nH]c(=N)[nH]1)C(=O)OC(C)(C)C 599068939 RBFYOQYZHYXNNP-MRVPVSSYSA-N 296.375 0.431 0 50 CCAA O=C(N[C@H]1C[C@H](C(=O)O)C1)N1CCO[C@H](C(F)(F)F)C1 698710613 ODTAQRNWOYEDPW-FXQIFTODSA-N 296.245 0.822 0 50 CCAA O=C1CC[C@@H](NCCCc2nn[nH]n2)CCN1CC1CC1 1506404383 XLIDRNNVENXWRQ-GFCCVEGCSA-N 292.387 0.513 0 50 CCAA CN1CC[C@@H]2CN(CCn3cc(Cl)cn3)C[C@@H]2C1=O 1772813351 XXCDJQPKLPNKQP-PWSUYJOCSA-N 282.775 0.947 0 50 CCAA O=C(c1cn[nH]c1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1857712719 NTNWZWPUXDLYAK-KBPBESRZSA-N 287.319 0.984 0 50 CCAA Cc1cc(CN(C)C(=O)[C@H]2CCc3ncnn3C2)no1 1857720441 USIOSUXOKFQWRP-JTQLQIEISA-N 275.312 0.796 0 50 CCAA Cc1noc2ncc(S(=O)(=O)N3CCNC[C@@H]3C)cc12 237633959 NRYHOZPATOZQBM-QMMMGPOBSA-N 296.352 0.514 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cnc(C2CC2)nc1 643764255 SBHCAGOGLBJACN-OAHLLOKOSA-N 290.367 0.820 0 50 CCAA COC[C@@]1(C)NC(=O)N(c2ccc(F)cn2)C1=O 900196445 ZZFLLLVLAAUDAW-LLVKDONJSA-N 253.233 0.682 0 50 CCAA CC[C@@H](C[C@@H](C)O)NC(=O)c1ncn(-c2ncccn2)n1 1875344603 MRYZNGDLYZNDEM-ZJUUUORDSA-N 290.327 0.337 0 50 CCAA COc1ccccc1CCNC(=O)[C@]12CNC[C@H]1CCO2 888096735 OKFWTSPYRQQLJG-CJNGLKHVSA-N 290.363 0.732 0 50 CCAA Cn1cc([C@H]2N(c3nccn4nnnc34)CC2(C)C)cn1 1775960231 ABTIPCSNFQVEDV-SNVBAGLBSA-N 284.327 0.840 0 50 CCAA COc1cccc(C(=O)N2C[C@H](OC)C[C@H]2CO)c1 330573674 ZLJPBNLVJHPRSQ-WCQYABFASA-N 265.309 0.917 0 50 CCAA CC1(C)CN(C(=O)C[C@H]2COCCN2)CCCO1 367643711 MAWGKNNLSJUOGM-NSHDSACASA-N 256.346 0.392 0 50 CCAA Cc1nc2n(n1)CCN(C(=O)Cn1nnc3ccccc31)C2 1445083633 ACTFDHYVMBMYIV-UHFFFAOYSA-N 297.322 0.374 0 50 CCAA C[C@@H]1C[C@H](CN)CN1Cc1cc(=O)n2ccsc2n1 131477570 SMZAKMZVSKSCKE-NXEZZACHSA-N 278.381 0.925 0 50 CCAA COc1cccc2cc(C(=O)Nn3cnnc3)c(=O)oc12 444814 ICRPRIRFCIUEBY-UHFFFAOYSA-N 286.247 0.777 0 50 CCAA Cc1ccccc1C(=O)NN1C[C@H](C(=O)O)CC1=O 4555493 AVZWBGNPCHGQTI-SECBINFHSA-N 262.265 0.573 0 50 CCAA Cc1cccc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c1 6700241 ZEIXOYDKXSEMSG-UHFFFAOYSA-N 296.392 0.641 0 50 CCAA CN(C)CCCN1C(=O)c2ccc(C(=O)O)cc2C1=O 7952053 HJMMHOWUGMWLAP-UHFFFAOYSA-N 276.292 0.933 0 50 CCAA Cc1nc(C(=O)NCCCN2CCOCC2)co1 22538488 VIMVZWXVGUWYCM-UHFFFAOYSA-N 253.302 0.435 0 50 CCAA Cc1ccc(S(=O)(=O)NCCc2nnc(N)s2)cc1 20201295 IPBWBADQFZIXRX-UHFFFAOYSA-N 298.393 0.950 0 50 CCAA CN(CCCc1cnn(C)c1)C(=O)[C@@H]1CCOC1 67854722 DOQKELVMCVDNJD-GFCCVEGCSA-N 251.330 0.848 0 50 CCAA COCCN1CCC[C@@](O)(CNCc2ccoc2)C1=O 67842213 RTIWVNZOWFWWCM-CQSZACIVSA-N 282.340 0.369 0 50 CCAA CC(C)(C)[C@H]1CN(C(=O)CCn2ccnn2)CCO1 330429542 LWRGJQRVXGEKKT-LLVKDONJSA-N 266.345 0.942 0 50 CCAA CCc1ccc(S(=O)(=O)N[C@H]2CNC[C@@H]2OC)s1 42520986 NRRHDPRMPPHCEL-UWVGGRQHSA-N 290.410 0.576 0 50 CCAA CCS(=O)(=O)C1CN(C(=O)[C@@H]2CCCOC2)C1 328598370 LWSSZACYWBVPHI-SECBINFHSA-N 261.343 0.059 0 50 CCAA O=C1CN(C(=O)c2cncs2)CN1CC(F)(F)F 328978139 CETOXYJWRNOUHX-UHFFFAOYSA-N 279.243 0.947 0 50 CCAA Nc1nc(CCNC(=O)c2cc(F)ccc2O)n[nH]1 219074763 OYUAFHTZKYUIGO-UHFFFAOYSA-N 265.248 0.204 0 50 CCAA O=C(COCc1ccccc1)NC[C@@H]1COCCO1 215696899 QNSWTVKMWCBZBB-CYBMUJFWSA-N 265.309 0.735 0 50 CCAA CNC[C@@H]1CCCN(C(=O)/C=C/c2ccnn2C)C1 159060835 JYQONSOLWUXNDP-FYJFLYSWSA-N 262.357 0.891 0 50 CCAA O=C(Cn1ccccc1=O)N1CCC(c2ccn[nH]2)CC1 125373604 UUBKGLXERGOGCO-UHFFFAOYSA-N 286.335 0.978 0 50 CCAA C[C@@H]1CCCN(C(=O)CCCn2cncn2)[C@@H]1CN 237488946 LNBYZBZASPUZEB-VXGBXAGGSA-N 265.361 0.644 0 50 CCAA COCc1noc(CN2CCN(CC(C)C)C(=O)[C@@H]2C)n1 72143765 JUSBAPKPIVYFPE-NSHDSACASA-N 296.371 0.905 0 50 CCAA COc1ncccc1C(=O)N[C@H](CC(F)F)C(=O)O 261610100 SFFRWXZQQLYQGM-SSDOTTSWSA-N 274.223 0.928 0 50 CCAA CC(C)CCn1cc(C(=O)Nc2nncn2C)nn1 157149455 YPWDYNKEJOMVJD-UHFFFAOYSA-N 263.305 0.705 0 50 CCAA O=C1NC(=O)N2CCN(C(=O)c3cc(F)ccc3F)C[C@@H]12 335831291 NSLYGIJEJLEPBU-JTQLQIEISA-N 295.245 0.341 0 50 CCAA N[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)n2)C1 158151984 QIHYWVWQMDVPAW-LLVKDONJSA-N 271.324 0.831 0 50 CCAA CCCn1cc(CNC(=O)CN2CCOCC2)cn1 223955580 LRXITMCIPAXGRH-UHFFFAOYSA-N 266.345 0.242 0 50 CCAA COc1cccc(CCNC(=O)N2CC(O)C2)c1OC 426535254 UXUKJDGLKSXPER-UHFFFAOYSA-N 280.324 0.632 0 50 CCAA CC(C)Cc1noc(CNC(=O)c2ccn(C)n2)n1 426653029 WWCOLFWSACBHLD-UHFFFAOYSA-N 263.301 0.932 0 50 CCAA COc1ccccc1OC1CN(C(=O)[C@@H]2COC(=O)N2)C1 426372504 SIHXMOQGRAEQTK-JTQLQIEISA-N 292.291 0.393 0 50 CCAA CC1(C)C[C@H]1C(=O)NCc1nc(-c2cnccn2)n[nH]1 426493242 RGQLQRZVLDCOGO-QMMMGPOBSA-N 272.312 0.924 0 50 CCAA Cc1nnc(CN2CCC[C@H]2c2ccc(O)nn2)n1C 528788732 FXXNBJUSGHGNBM-NSHDSACASA-N 274.328 0.956 0 50 CCAA CSc1ncc(C(=O)N2CCC[C@@](O)(CO)C2)cn1 220085660 OGNKYEWWZLDGMF-LBPRGKRZSA-N 283.353 0.158 0 50 CCAA Cc1[nH]nc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1Cl 426647946 PJXVGPMECIPAHP-SSDOTTSWSA-N 270.720 0.722 0 50 CCAA COc1cccn(CC(=O)N2CCC[C@@H](N)CC2)c1=O 95530393 RNVNTTLLCWGCJE-LLVKDONJSA-N 279.340 0.197 0 50 CCAA O=C1SCC[C@@H]1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239038456 DFOHOUOHNYPTFV-BQHMLIOBSA-N 281.333 0.658 0 50 CCAA Cc1nnc(N2CCC3(CC2)OCCC[C@H]3O)o1 95358663 GUHPBTSYEKMMNK-SNVBAGLBSA-N 253.302 0.888 0 50 CCAA Cc1nnc(CN(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)o1 91877117 DHRPOHHVIWMNHM-SNVBAGLBSA-N 294.355 0.983 0 50 CCAA CCc1nnc(N2CCCN(C(=O)[C@H]3CCCO3)CC2)o1 95357476 MMAJNIZDWQBUSQ-LLVKDONJSA-N 294.355 0.850 0 50 CCAA Nc1ncccc1CNC(=O)COC[C@H]1CCCO1 244659507 HDXYQSXNCUGAHO-LLVKDONJSA-N 265.313 0.476 0 50 CCAA O=C(Cn1nccn1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 244594271 DJRKDGUWRQKJDI-MJVIPROJSA-N 287.323 0.302 0 50 CCAA Cc1cc(S(=O)(=O)N2CCO[C@H]3CNC[C@H]32)c(C)o1 299743311 NFLVYTUCLZRAAA-MNOVXSKESA-N 286.353 0.258 0 50 CCAA Cn1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c(O)nc1=O 298689148 DHLLCEKFHLWEKP-QWRGUYRKSA-N 293.323 0.270 0 50 CCAA Cc1ccc(C2(C(=O)N[C@H]3CNCC[C@H]3O)CC2)cc1 534640787 OLZPRKRGXQKQJG-UONOGXRCSA-N 274.364 0.866 0 50 CCAA CCC[C@H](NC(=O)c1n[nH]c(O)n1)c1nccn1C 534673110 CBEABIQOCMEIDP-ZETCQYMHSA-N 264.289 0.515 0 50 CCAA O=C(NCc1noc(-c2ccccc2)n1)[C@@H]1C[C@@H](O)CN1 299801118 WFRVEULJPKGLRC-MNOVXSKESA-N 288.307 0.076 0 50 CCAA CC(C)c1noc([C@@H](C)NC(=O)NCC(=O)O)n1 822285073 PWXNANKETGJSOQ-ZCFIWIBFSA-N 256.262 0.638 0 50 CCAA COCc1nc([C@H]2CCOC2)n(CC(C)(C)O)n1 670469806 DIZATYOLCHIVRU-VIFPVBQESA-N 255.318 0.699 0 50 CCAA Cc1[nH]ccc1C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 1337254451 SPOFTYAKNACWBS-QWRGUYRKSA-N 263.297 0.053 0 50 CCAA CCc1nnc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)s1 239121126 JIMSLFNYBGDRMJ-SQEXRHODSA-N 295.320 0.693 0 50 CCAA O=C(COc1ccccc1F)N1CC(N[C@H]2CCOC2)C1 1362979495 IRYQGIPJYHOBLE-NSHDSACASA-N 294.326 0.794 0 50 CCAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 4141256 OINGZOBZCAEONW-SECBINFHSA-N 264.347 0.068 0 50 CCAA Cn1cc(C(=O)Nc2cc(C(F)(F)F)[nH]n2)n(C)c1=O 1548451797 CVWIXPLHFYFYOU-UHFFFAOYSA-N 289.217 0.718 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cnn(CC2CC2)c1 630357979 XQRGMAYGRZJOBL-BXKDBHETSA-N 276.340 0.690 0 50 CCAA COC[C@]1(C(=O)O)CCN(C(=O)N=c2cc[nH]cc2C)C1 630565080 HTWAEPMTRMQFIP-AWEZNQCLSA-N 293.323 0.767 0 50 CCAA Cn1[nH]c(=NC(=O)CSC[C@H]2CCCCO2)ccc1=O 585125330 NZDALVRJZKMLEU-SNVBAGLBSA-N 297.380 0.443 0 50 CCAA CCC1(CC)[C@H](NC(=O)Cn2nc(C)oc2=O)C[C@H]1OC 639969507 XTLLMKFVNZLWLX-GHMZBOCLSA-N 297.355 0.855 0 50 CCAA CCc1ncc(CN2CCC[C@@]2(COC)C(=O)NC)cn1 643765770 BMPRMFYEEMARFF-OAHLLOKOSA-N 292.383 0.766 0 50 CCAA CC/C=C/CNC(=O)CN1CCCC[C@H](O)C1=O 644491493 HBWVEQNLSPGPHL-TZNOJPMFSA-N 254.330 0.442 0 50 CCAA COC[C@H]1CN(C(=O)Nc2ccncn2)CCO1 194123278 XKASLOVZSYATLS-SECBINFHSA-N 252.274 0.356 0 50 CCAA CCOc1ccc(N2CCN([C@H](C)C(=O)O)CC2)nn1 662231820 SZCBVLZQRWNUMB-SNVBAGLBSA-N 280.328 0.470 0 50 CCAA CO[C@@]1(CNc2cc3nncn3c(C)n2)CCOC1 576208410 PUZMFOWYLJRIRF-GFCCVEGCSA-N 263.301 0.650 0 50 CCAA CC(C)/C=C/C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](O)C1 1614345666 GTNGYCAKHCSXNL-WFVIONGDSA-N 295.427 0.408 0 50 CCAA O=C1NC(=O)[C@H](CCC(=O)N2CCC3(CCCO3)CC2)N1 1506400625 BHHWGKJZZSTQFJ-JTQLQIEISA-N 295.339 0.146 0 50 CCAA CC(C)[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(O)ccc1N 1529144175 PYHIDZDOAHKTIJ-CYBMUJFWSA-N 291.351 0.913 0 50 CCAA COc1cccc(CC(=O)NC[C@@]2(O)CCO[C@H]2C)c1 228707576 YDALLSFVUUHOEI-NHYWBVRUSA-N 279.336 0.894 0 50 CCAA C[C@H]1CCN(S(=O)(=O)NCc2nccs2)C1 408134717 ULDYDPVFOUFJOF-QMMMGPOBSA-N 261.372 0.819 0 50 CCAA C[C@H]1CC[C@H](CCC(=O)N(CCN(C)C)CC(=O)O)O1 237611071 CMPVSBJBQYHUIJ-NWDGAFQWSA-N 286.372 0.809 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@](C)(O)c1ccc(F)cc1 1875272876 BVVPKISMWOMVMB-RDFMZFSFSA-N 281.283 0.879 0 50 CCAA Cc1cc(CN2CC[C@@]3(CNC(=O)CO3)C2)on1 1775982491 QFRKYFYBWJMFNS-GFCCVEGCSA-N 251.286 0.074 0 50 CCAA CC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccccc31)C2O 19322484 LQVISEVAOZSCMX-UHFFFAOYSA-N 299.374 0.810 0 50 CCAA biogenic Cc1noc(C)c1CCCNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1 1857728587 IIXNGEGSTITYNF-DRZSPHRISA-N 281.356 0.438 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)Cc1c(C)noc1C 643944387 BTCGLEWOSTWKHV-AWEZNQCLSA-N 295.339 0.327 0 50 CCAA NC(=O)Nc1cccc(C(=O)N2CCOC[C@H]2C(=O)O)c1 262103180 HUIPMVPVTUFPGE-JTQLQIEISA-N 293.279 0.103 0 50 CCAA COc1cccc(CN2CCC(O)(C(N)=O)CC2)c1C 930344783 TWFRJLCDZRDTMZ-UHFFFAOYSA-N 278.352 0.816 0 50 CCAA O[C@H](c1ccccc1)c1ncnn1C[C@]1(O)CCCOC1 849325051 ADPXRVBKIKJHBJ-UKRRQHHQSA-N 289.335 0.901 0 50 CCAA O=c1ccccn1Cc1cn(C[C@@H]2CC(F)(F)CO2)nn1 1875279390 ZODWLCVHUKZRQC-NSHDSACASA-N 296.277 0.912 0 50 CCAA CC(=O)N1CC(NC(=O)CC2C[C@@H]3CC[C@H](C2)N3C)C1 1875254568 ZOAKRIOUAQFWPB-QXMXGUDHSA-N 279.384 0.596 0 50 CCAA COc1ccc([C@H]2NC(=O)[C@@H](C(C)C)NC2=O)cc1O 1875278918 WVAJOFWYBGZUTJ-VXGBXAGGSA-N 278.308 0.713 0 50 CCAA Cc1ccc(C(=O)NCC2CN(C(N)=O)C2)c(O)c1 1875314921 ACLUZYRZSXCIQM-UHFFFAOYSA-N 263.297 0.441 0 50 CCAA O=C(NC[C@H]1CCOC1=O)c1cc(O)nc(C2CC2)n1 1875332748 INTSHYUZJOFJFN-MRVPVSSYSA-N 277.280 0.353 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N=c2cc[nH]cc2F)C1=O 886088396 SPUGYGKNDCBAHV-LBPRGKRZSA-N 295.314 0.609 0 50 CCAA Cc1ccc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)nn1 886995395 KDQFFNSEHCDBPN-VXGBXAGGSA-N 277.324 0.445 0 50 CCAA Cc1cccc(CONC(=O)[C@@H](C)S(C)(=O)=O)n1 898936019 MMSOHPVEDYQULN-SECBINFHSA-N 272.326 0.371 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCN(C(C)C)C1=O 158481554 ZXWCDKQOGPBJBW-AXFHLTTASA-N 255.362 0.485 0 50 CCAA Nc1ccc(S(=O)(=O)Nc2ccnc(O)n2)cc1 71771443 VCOUXVOVQPWIOT-UHFFFAOYSA-N 266.282 0.565 0 50 CCAA Cc1nnc(N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)s1 2356142356 OWYUDJSTVNVBBT-UWVGGRQHSA-N 285.369 0.328 0 50 CCAA O=C(O)CCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 100571174 MZEUGDZGVVPJBH-YUMQZZPRSA-N 257.673 0.979 0 50 CCAA CCn1nccc1[C@H]1CCCN1C(=O)NCC(=O)OC 21791918 WASLHHRVOGJHQD-SNVBAGLBSA-N 280.328 0.923 0 50 CCAA Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CCOC2)C1 328719293 QFCQPXAOYIVXCF-BXUZGUMPSA-N 278.356 0.936 0 50 CCAA O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCn2c(O)nnc2C1 330184185 QLJZKIMTQKFWFF-GUBZILKMSA-N 260.297 0.538 0 50 CCAA CC(C)Cn1ncnc1CS(=O)(=O)[C@@H](C)[C@@H](C)O 330736097 WTHSUDWNZJRYLK-ZJUUUORDSA-N 275.374 0.618 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N1CCOCC(F)(F)C1 335325861 CTUHYBLUXZLZDO-SECBINFHSA-N 294.323 0.402 0 50 CCAA Cc1nnc(CC(=O)N2CCN(CCOC(C)C)CC2)o1 331111945 ITLWNUJQUFTZRR-UHFFFAOYSA-N 296.371 0.490 0 50 CCAA CCn1nccc1S(=O)(=O)N[C@@H]1CC12CCNCC2 368313085 BDUYOMAYTVVCSV-SNVBAGLBSA-N 284.385 0.323 0 50 CCAA C[C@H]1C(=O)NCCCN1Cc1nc(C2CC2)nn1C 521618986 YZVNLGXTOKQZNV-VIFPVBQESA-N 263.345 0.403 0 50 CCAA COc1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)nn1 261905874 XIXWOBNFBILZKN-QMMMGPOBSA-N 265.269 0.422 0 50 CCAA NC[C@H](NC(=O)C[C@H]1COCCN1)C1CCCCC1 262242163 RPZXNJWHKWIYRK-STQMWFEESA-N 269.389 0.389 0 50 CCAA O=C(CCN1CCOCC1)N1CCC2(CCNCC2)CC1 71613956 BSDPZBCECMRHSJ-UHFFFAOYSA-N 295.427 0.701 0 50 CCAA COc1cccc(CN2CCNC[C@@H]2CCO)c1 38534605 WXPIBLWJZLELED-ZDUSSCGKSA-N 250.342 0.851 0 50 CCAA Cc1cc2c(cc1S(=O)(=O)NCC(=O)O)OCO2 262499385 XUGJLPMADVULST-UHFFFAOYSA-N 273.266 0.087 0 50 CCAA CNC(=O)CC(=O)N1Cc2ccccc2OC[C@@H]1C 336075503 KXVHWPREMSQIPT-JTQLQIEISA-N 262.309 0.932 0 50 CCAA COCC1(NC(=O)C[C@H]2CNCCO2)CCCC1 71715249 VBRGGCJVDZXJES-NSHDSACASA-N 256.346 0.440 0 50 CCAA CC1(C)C[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 131610822 MPZJNGGCJANJIA-NSHDSACASA-N 282.365 0.996 0 50 CCAA CCOc1ccncc1S(=O)(=O)N[C@@H](C)C(=O)O 263562846 SZASXEQAAIJKTI-ZETCQYMHSA-N 274.298 0.232 0 50 CCAA Cc1cc(C)n(CCCC(=O)N[C@@H](C)C(=O)O)n1 426647324 QNYNSZHYPZPDNI-JTQLQIEISA-N 253.302 0.869 0 50 CCAA Cn1cc(NC(=O)[C@H]2C[C@@H]2C2CC2)c(=O)n(C)c1=O 177418118 UEKMZDXVJILUIA-BDAKNGLRSA-N 263.297 0.069 0 50 CCAA CCCNC(=O)C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O 95117681 YUFNKAVMIWFHIX-AXFHLTTASA-N 253.346 0.302 0 50 CCAA CC1(C)CN(c2cncc(C(N)=O)n2)C[C@]1(C)O 91321548 COQOHZHDSVDUGQ-LBPRGKRZSA-N 250.302 0.173 0 50 CCAA Cc1[nH]nc(C(=O)N2CCC3(CC2)CNCCO3)c1Cl 426529529 ZGYKFWKMROOSGS-UHFFFAOYSA-N 298.774 0.966 0 50 CCAA CC(C)C(=O)N1CCC[C@H](CNC(=O)Cn2ccnn2)C1 426727494 NPPBZABRRRAHNJ-GFCCVEGCSA-N 293.371 0.289 0 50 CCAA COCCNC(=O)N1CCCN(C)C2(CCNCC2)C1 426662340 UFKRRNFRNDUGCG-UHFFFAOYSA-N 284.404 0.102 0 50 CCAA COCc1noc(Cn2ncc3ccccc3c2=O)n1 95357143 IIPKVIQDGUBKTI-UHFFFAOYSA-N 272.264 0.974 0 50 CCAA CN(C)c1cnn(Cc2noc([C@H]3CCCO3)n2)c(=O)c1 95378943 LESXPADMGKKXGE-SNVBAGLBSA-N 291.311 0.592 0 50 CCAA O=C(O)Cn1nc(C2CC2)nc1COC[C@@H]1CCCO1 97413307 IUMRPRIHVGVQAS-JTQLQIEISA-N 281.312 0.936 0 50 CCAA Cn1cc([C@H](NC(=O)c2cnco2)[C@H]2C[C@H](O)C2)cn1 244659764 HIHBMERHBNMBJI-HLUHBDAQSA-N 276.296 0.650 0 50 CCAA COc1ccc(NC(=O)CCCn2cnnn2)cn1 524733019 LOVWXJVECUSSAE-UHFFFAOYSA-N 262.273 0.496 0 50 CCAA Cn1cc(O[C@@H]2CN(CCc3ccccn3)C[C@H]2O)cn1 625623898 GPENMEVVOBFMAS-HUUCEWRRSA-N 288.351 0.482 0 50 CCAA COc1cc(C(=O)O)cc(C(=O)NCCCCO)c1 534657578 FRPAGNWHTZABFP-UHFFFAOYSA-N 267.281 0.896 0 50 CCAA O=S(=O)(c1ccc2oc(O)nc2c1)N1CCCNCC1 534657131 INBLOOVYTWQDJZ-UHFFFAOYSA-N 297.336 0.517 0 50 CCAA C[C@@H](CN1CCOCC1)N=c1nc(N(C)C)[nH]s1 534666870 ADIJUMRWJXSWLV-VIFPVBQESA-N 271.390 0.159 0 50 CCAA COCCN1CCC(C(=O)NC[C@@H]2CCCCN2C)CC1 824412446 TUXXVAXGDJLZBQ-HNNXBMFYSA-N 297.443 0.945 0 50 CCAA O=C(CC1CC1)N1CCSC[C@H]1c1nn[nH]n1 1332107634 RYLYUZPTOFVQGR-QMMMGPOBSA-N 253.331 0.616 0 50 CCAA Cc1cc(C(=O)O)c(N2CC[C@H](CO)[C@@H](O)C2)nc1C 1529154191 ZJLLIGDHOQLYFH-PWSUYJOCSA-N 280.324 0.576 0 50 CCAA N[C@H]1CN(C(=O)NCC2(N)CCOCC2)CC12CCC2 1553517910 UGLCTVNXBKCPRI-NSHDSACASA-N 282.388 0.017 0 50 CCAA Cn1nccc1[C@H](N)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 958528076 IZNTVKINVWQQRN-SMDDNHRTSA-N 296.371 0.792 0 50 CCAA C[C@@H]1C[C@H](CNC(=O)NCC2(O)CCOCC2)CCO1 408085739 CGAXDRXAPFIMNA-VXGBXAGGSA-N 286.372 0.642 0 50 CCAA Cc1csc(N(C)C(=O)C2(S(C)(=O)=O)CC2)n1 408277279 OVVXLSIMLNEQBN-UHFFFAOYSA-N 274.367 0.992 0 50 CCAA CN(C)C1CN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 671530316 DMRJYMCVQFPJBN-KGLIPLIRSA-N 292.383 0.660 0 50 CCAA O=C(CSC[C@@H]1NC(=O)NC1=O)NC1CCCCCC1 585118345 LHBZHHIFTKBSLD-JTQLQIEISA-N 299.396 0.767 0 50 CCAA COC(=O)[C@H]1CCN(Cc2ncnn2C)C[C@H]1C 191860448 XFCGAZAHMUOQNC-ZJUUUORDSA-N 252.318 0.446 0 50 CCAA O=S(=O)(CCN1C[C@H](O)[C@@H](F)C1)c1ccccc1 1616117751 HAKXGXYMHJJZEM-RYUDHWBXSA-N 273.329 0.475 0 50 CCAA COCCN1C[C@H](CNc2nccnc2OC)CC1=O 1506405686 WIVKLULYGBTZNB-JTQLQIEISA-N 280.328 0.392 0 50 CCAA O=C(O)[C@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 225457203 KPFQUQPBVAIASO-ZRUFSTJUSA-N 253.298 0.877 0 50 CCAA Cc1nc(N(C)C)nc(N[C@H]2COC[C@@H]2O)c1C 1704297216 ORTIKOMOIYGCIQ-UWVGGRQHSA-N 252.318 0.331 0 50 CCAA Cc1noc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 1704297208 JYDPHYCSONSDPY-ZYHUDNBSSA-N 277.328 0.445 0 50 CCAA COC[C@H](N)C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 367533961 QBGSJZSHNITDRW-ZETCQYMHSA-N 292.261 0.287 0 50 CCAA O=C(O)C[C@H](CC(=O)Nc1nnn[nH]1)c1ccccc1 5731475 UGHHCYZCMXVDJW-VIFPVBQESA-N 275.268 0.787 0 50 CCAA O=C(COCC1CC1)N[C@H]1C[C@H](Cn2ccnc2)C[C@@H]1O 1857527009 HLOORIRMJSBGMF-IHRRRGAJSA-N 293.367 0.565 0 50 CCAA COc1ccnc(CN2C[C@@H]3CC(=O)N[C@@H]3C2)c1OC 1857682244 HFKNNWYBBWDGFS-VHSXEESVSA-N 277.324 0.419 0 50 CCAA COc1ccc(O)c(C(=O)N2CCN(C3CC3)C(=O)C2)c1 673959314 KANQOMLKBCSVHV-UHFFFAOYSA-N 290.319 0.848 0 50 CCAA CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(CC(=O)NC2CC2)C1 583619147 XXDIDIWVZFITBW-MNOVXSKESA-N 279.344 0.154 0 50 CCAA CCC[C@]1(C(=O)O)CCN(c2cc(O)nc(N)n2)C[C@@H]1O 1704352725 DWZYRRVSWPMRRB-SDBXPKJASA-N 296.327 0.207 0 50 CCAA COCCn1[nH]nnc1=NC(=O)c1ccc(Cl)cn1 906300225 RHFPBCQIEPFUNZ-UHFFFAOYSA-N 282.691 0.042 0 50 CCAA Cc1ccnc(CN2CCCC[C@H]2CS(N)(=O)=O)n1 931228726 DWQHXISUABQSDF-NSHDSACASA-N 284.385 0.428 0 50 CCAA O[C@H](CN1CCN(c2ncnc3[nH]ccc23)CC1)C1CC1 1875258650 NESXGULGTLJUNP-CYBMUJFWSA-N 287.367 0.851 0 50 CCAA CN(C[C@H]1CCCNC1)C(=O)c1cnn2c(=O)cc[nH]c12 1875347892 YKMSSPIBNVBOQZ-JTQLQIEISA-N 289.339 0.094 0 50 CCAA Cn1cnc(C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)c1 890152058 QLVSJPSXJDUERN-AWEZNQCLSA-N 289.339 0.589 0 50 CCAA CC[C@H]1CN([C@H](CC)C(=O)O)CCN1CCOC 248951581 KNSNWWIOPMDLID-NWDGAFQWSA-N 258.362 0.892 0 50 CCAA NS(=O)(=O)C[C@@H]1CCN(c2cnc3ccccc3n2)C1 896394085 KWLXIIROHDLVKG-SNVBAGLBSA-N 292.364 0.745 0 50 CCAA C=CC(=O)N[C@H](CN1CCCS1(=O)=O)C1CC1 1775998656 HJQUNVCOJXXLIU-SNVBAGLBSA-N 258.343 0.103 0 50 CCAA CC1CC(C)(CS(=O)(=O)NCC(=O)N2CCCC2)C1 1775989184 GERWSPHFEBLZHS-UHFFFAOYSA-N 288.413 0.964 0 50 CCAA O=C(NCc1cncc(O)c1)[C@]12CCC[C@H]1NCC2 1775961267 LTEKEZFUAQYWFZ-OCCSQVGLSA-N 261.325 0.936 0 50 CCAA O=C1NCCN1CCN1CCC([C@H]2CCCO2)CC1 367988750 MTAOZNSAYDKLJI-CYBMUJFWSA-N 267.373 0.903 0 50 CCAA CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 398512101 NFBDJLNDFJNHLB-LLVKDONJSA-N 293.348 0.315 0 50 CCAA O[C@@H]1CN(c2cc(N3CCCCC3)ncn2)C[C@H]1F 1529167402 LNVQFFCJFXGSNG-GHMZBOCLSA-N 266.320 0.986 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@@H]1CCCN1c1ncccn1 2325733496 UVJCVIDMDHHNIN-MNOVXSKESA-N 278.312 0.282 0 50 CCAA Nc1onc2c1CN(C(=O)Cn1nnc3ccccc31)CC2 2325839124 JROFXEWQUTYQOA-UHFFFAOYSA-N 298.306 0.586 0 50 CCAA Cc1cc(C(=O)N2CCNC(=O)C2)nn1-c1ccccc1 225509442 IEBIAOYKEYRBQD-UHFFFAOYSA-N 284.319 0.753 0 50 CCAA Cc1nonc1OCCN[C@H](C)C(=O)Nc1nccs1 65468617 MQJXAMIGVLGKKC-SSDOTTSWSA-N 297.340 0.830 0 50 CCAA CC(C)(C)c1cc(CN2CC[C@](N)(C(=O)O)C2)[nH]n1 67674152 WWXCEZHNBYWSMQ-CYBMUJFWSA-N 266.345 0.695 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(=N)O)on1 328602780 CYEXVQHJTVREPV-IUCAKERBSA-N 284.291 0.660 0 50 CCAA COc1ccc(S(=O)(=O)N[C@@H]2CN(C)C[C@H]2C)cc1 257366042 HIYKZRVWISFJLU-ZWNOBZJWSA-N 284.381 0.924 0 50 CCAA Cn1cnnc1CCNC(=O)COCC(F)(F)C(F)F 219299477 WUIZSCLOTOZIDP-UHFFFAOYSA-N 298.240 0.391 0 50 CCAA CNC(=O)c1ccc(CN(C)C(=O)C2(C(=O)O)CC2)cc1 154764405 MYFFXLGRQPPTQO-UHFFFAOYSA-N 290.319 0.869 0 50 CCAA O=C([C@H]1C[C@]12CCOC2)N1CCN(C2CC2)CC1 368121520 TUPMIKMMRPBCMJ-OCCSQVGLSA-N 250.342 0.720 0 50 CCAA N[C@@H]1CCCCC[C@@H]1NCCCN1CCNCC1 331922936 CIFZCXJXFLZFKQ-KGLIPLIRSA-N 254.422 0.531 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)C[C@H](O)c2cccc(F)c2)CCO1 262123270 PRFNDFZFYULTKG-RYUDHWBXSA-N 297.282 0.561 0 50 CCAA O=C(N[C@H]1COc2ccccc2C1)C(=O)N1CCCC1 215791073 HJAMUFRRBGZBHB-GFCCVEGCSA-N 274.320 0.729 0 50 CCAA CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)O)CC2 237112191 WOOJNXSPICZAGX-UHFFFAOYSA-N 284.337 0.384 0 50 CCAA CC(=O)N1CCC[C@@](O)(C(=O)NCCC=C(C)C)C1 285473090 KRLQILIZXHHPTK-AWEZNQCLSA-N 268.357 0.832 0 50 CCAA CNC(=O)Cn1cc(NC(=O)[C@H](C)n2cccc2)cn1 137133298 DJHACINZPZCUFW-JTQLQIEISA-N 275.312 0.630 0 50 CCAA CN1CCC[C@@H]1CNC(=O)c1nnc2ccccc2n1 289617938 GRIZEYJXZBHIOJ-SNVBAGLBSA-N 271.324 0.849 0 50 CCAA NCCOc1ccc(F)cc1C(=O)NCCn1ccnn1 426405440 CBUKSJHSHSBLFM-UHFFFAOYSA-N 293.302 0.185 0 50 CCAA Cc1cc(C(=O)N2CC=C[C@H]2C(=O)O)c(=O)n(C)c1C 426492747 FGSFUNQMUDXLTI-NSHDSACASA-N 276.292 0.467 0 50 CCAA Cc1ncn(CC(=O)NC[C@H]2COCCO2)c1C 220562681 JBIXPPDGHZKCMY-NSHDSACASA-N 253.302 0.032 0 50 CCAA O=C(NCc1noc(C2CC2)n1)c1cncc(O)c1 339941334 HDCWJDYELSVHDX-UHFFFAOYSA-N 260.253 0.978 0 50 CCAA CC[C@H](O)Cn1ncnc1CCc1n[nH]c(C)n1 92003651 AYZTUTNELPUYFO-VIFPVBQESA-N 250.306 0.261 0 50 CCAA CC(C)N1CCO[C@@H](CC(=O)NCCc2c[nH]cn2)C1 97805632 LXIDGRKUERVQQX-ZDUSSCGKSA-N 280.372 0.568 0 50 CCAA C[C@@H](CN(CCO)Cc1nccn1C)N1CCCC1 244811659 SISVKROVWLGPFH-ZDUSSCGKSA-N 266.389 0.699 0 50 CCAA O=C(CCCN1CCCC1=O)NCC[C@H]1CCOC1 534675317 WVHJTVRFTOZJRN-LBPRGKRZSA-N 268.357 0.932 0 50 CCAA COCCc1noc([C@H](C)NC(=O)c2nonc2C)n1 299784266 ZPOIABPRAMEOQX-ZETCQYMHSA-N 281.272 0.441 0 50 CCAA O=C(NCCc1cn2ccsc2n1)[C@@H]1COCCO1 299795725 MZWQSDLTTJIIEB-JTQLQIEISA-N 281.337 0.470 0 50 CCAA CN1CCCN(CCn2cccn2)CC12CCNCC2 299775032 JQRXEWXSEQHVOG-UHFFFAOYSA-N 277.416 0.643 0 50 CCAA CCc1noc(CNC(=O)c2cc(OC)ccn2)n1 584897091 BPGHCXFWVSVNLI-UHFFFAOYSA-N 262.269 0.966 0 50 CCAA C[C@H]1CN([C@@H](C)C(=O)NCC2CCN(C)CC2)C[C@@H](C)O1 823759317 DFLVMOWDHDLKQJ-MJBXVCDLSA-N 297.443 0.942 0 50 CCAA CC(C)CN1CC[C@H](CN(C)c2cncc(C(N)=O)n2)C1 670437754 PGTPKYYMJREMMY-GFCCVEGCSA-N 291.399 0.990 0 50 CCAA Cc1noc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3C)n1 670461918 RSCBEYJWPRWXSI-UHFFFAOYSA-N 293.327 0.236 0 50 CCAA CN1CCC(CNc2ncccc2C(N)=O)(N(C)C)CC1 670469144 LOPZRWYWFLXVCV-UHFFFAOYSA-N 291.399 0.618 0 50 CCAA O=C1NCCC[C@H]1C(=O)N[C@H](CO)c1cc(F)ccc1F 1351093392 AAEBTUVEGWKIKN-BXKDBHETSA-N 298.289 0.641 0 50 CCAA CCc1cc(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)n[nH]1 1553460287 ZWCOQMMNUFICCG-GFCCVEGCSA-N 277.372 0.995 0 50 CCAA CS(=O)(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccncc1)C2 1565510600 YZDAEHQEOWGBHX-KGLIPLIRSA-N 295.408 0.937 0 50 CCAA O=C(COC[C@@H]1CCCO1)Nc1nnnn1C1CC1 585124641 KNDTUAYJSOBURG-VIFPVBQESA-N 267.289 0.142 0 50 CCAA CC[C@H](C(=O)O)N1CCN(c2nc(C)ns2)CC1 191436902 REMRGBYMVZUMSE-SECBINFHSA-N 270.358 0.832 0 50 CCAA COC(=O)[C@@H](NCc1ccc(F)c(F)c1)[C@@H](C)O 191966398 CTEMRUKWFBRZMG-HQJQHLMTSA-N 259.252 0.977 0 50 CCAA O=C(Nc1cnns1)[C@H]1COCCN1CC1CCC1 192217978 XVCBTBDDOVBQPU-SNVBAGLBSA-N 282.369 0.978 0 50 CCAA COCCc1noc(CN[C@H](C)Cn2cccn2)n1 69370360 NRNMIUSKGKGPPT-SNVBAGLBSA-N 265.317 0.633 0 50 CCAA O=C(NC[C@@H]1Cc2ccccc2CN1)c1cc[nH]n1 721052221 DIYJWGQWLKTLQC-LBPRGKRZSA-N 256.309 0.854 0 50 CCAA O=C(N[C@H]1CCCCNC1=O)c1n[nH]c2c1CCCC2 96150197 UYQXJGLAKYWPHG-NSHDSACASA-N 276.340 0.687 0 50 CCAA CSCCN1CCN(Cc2nc(C(=O)O)co2)CC1 1529159355 OXEWSFWILFYTQL-UHFFFAOYSA-N 285.369 0.853 0 50 CCAA C[C@@H](O)[C@H](N)C(=O)N(C)CCN(C)C1CCCC1 1506423611 GTFKJHRSAXYBDE-PWSUYJOCSA-N 257.378 0.027 0 50 CCAA NC[C@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)CCO1 110539622 ZTKGMZYCNJFBCI-STQMWFEESA-N 276.336 0.424 0 50 CCAA Cc1cc(C(=O)NCCN2CCN(C)C2=O)cc(C)n1 1857692686 PIRYGRJQEZYGDH-UHFFFAOYSA-N 276.340 0.796 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1c(Cl)cnn1C)C2 1704303197 FFEJUBQAXHEDSO-UWVGGRQHSA-N 298.774 0.476 0 50 CCAA CC(C)c1nnc(C(=O)NCCc2cnn[nH]2)s1 1875282400 CBKXFRLHFZUDQU-UHFFFAOYSA-N 266.330 0.752 0 50 CCAA O=C(O)Cc1ccc(CN2CCC([C@@H](O)CO)CC2)cc1 1772818341 QPLUMJFLNZRPFJ-HNNXBMFYSA-N 293.363 0.879 0 50 CCAA COCCN1C[C@H](C(=O)NCCOC(C)C)CCC1=O 12437571 VKHSFMJVOAPSJV-GFCCVEGCSA-N 286.372 0.413 0 50 CCAA C[C@H]1NC(=O)[C@H]2CN(CC3CCCCC3)CCN2C1=O 14749909 SCDCVAQLNQIWKT-DGCLKSJQSA-N 279.384 0.598 0 50 CCAA O=C(COc1ccccc1O)NCCN1CCOCC1 19720872 JKSNZUKWSNNACP-UHFFFAOYSA-N 280.324 0.219 0 50 CCAA CN(C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 165592327 MZRAADPAONILMH-MRVPVSSYSA-N 274.317 0.833 0 50 CCAA CN=c1[nH]c(C(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cs1 1857716060 UZNOOKFJUHQYHP-DVVUODLYSA-N 297.380 0.219 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccn2nnnc2c1 613499539 RBTHUMPEKMRBJG-QWRGUYRKSA-N 291.311 0.048 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2ccc(COC)o2)C1 643757502 NSHRFNFKYZOJIT-HNNXBMFYSA-N 296.367 0.889 0 50 CCAA COc1cc(CNC(=O)[C@H]2C[C@H](O)CN2)ccc1C 237355356 KEKFKSIWDAOZGJ-NWDGAFQWSA-N 264.325 0.343 0 50 CCAA Cc1nonc1CNC(=O)c1cnc2nccn2c1 1155920736 MTOFEQGNTUJGMK-UHFFFAOYSA-N 258.241 0.351 0 50 CCAA O=C(NS(=O)(=O)c1ccccn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875283754 DSYFNKHNXHQFCG-ULHKAFAUSA-N 294.332 0.310 0 50 CCAA N[C@@H]1CN(C(=O)c2ccc3c(n2)CNCC3)CC12CCC2 1775961794 ANVVAOKYVWYUSD-CQSZACIVSA-N 286.379 0.681 0 50 CCAA NC(=O)CCCNC(=O)c1ccc2c(c1)NC(=O)NC2 1776003419 OBJJUPHOQFRHGE-UHFFFAOYSA-N 276.296 0.317 0 50 CCAA CC[C@@H](CO)NS(=O)(=O)c1ccc2oc(=O)ccc2c1 35610290 JRLVTKDNYREPQT-JTQLQIEISA-N 297.332 0.842 0 50 CCAA COCC(=O)N1CCN(Cc2cccc(OC)n2)CC1 171824829 YWAQIZWOFBVTCG-UHFFFAOYSA-N 279.340 0.381 0 50 CCAA CC(C)N1C(=O)N[C@]2(CCN(CCC(C)(C)O)C2)C1=O 370159144 BNAMWJCNSJJZQP-AWEZNQCLSA-N 283.372 0.552 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@@]1(C)C(=O)O 710136119 JOZDFJUURHWZTE-ORXSELOVSA-N 255.314 0.981 0 50 CCAA CN1C(=O)CC[C@@H](N2Cc3ccc(N)cc3C2=O)C1=O 2325901386 CAZZZPLILVNKBD-LLVKDONJSA-N 273.292 0.372 0 50 CCAA COc1ccc(NC(=O)C[C@H]2NC(=O)NC2=O)cc1 2861872 LZRQFUIADQOSIF-SECBINFHSA-N 263.253 0.232 0 50 CCAA COc1cccc(C[C@@H](O)C(=O)NCC(=O)NC(C)C)c1 225496720 AECVJEMMCMJPBT-CYBMUJFWSA-N 294.351 0.239 0 50 CCAA C[C@H](O)CN1CCN(CC(=O)NCc2ccco2)C[C@H]1C 247220526 QLPLLPJEVCLDEY-OLZOCXBDSA-N 295.383 0.283 0 50 CCAA CC(C)n1cc(C(=O)NCC[C@@H]2CN(C)CCO2)cn1 67973956 KELLRCWIEUPMSO-CYBMUJFWSA-N 280.372 0.915 0 50 CCAA CCN(CCN(C)C)C(=O)[C@H](N)c1c(C)n[nH]c1C 67655069 CYDANHCFDASGGQ-GFCCVEGCSA-N 267.377 0.436 0 50 CCAA COc1ccc(CNC(=O)N2C[C@@H](O)C[C@H]2CO)c(F)c1 361472656 DKFSTYIXCMWQJN-QWRGUYRKSA-N 298.314 0.471 0 50 CCAA O=C([C@H]1CCc2ccccc21)N1CCS(=O)(=O)CC1 215798013 LOIOZFUILQHPPN-ZDUSSCGKSA-N 279.361 0.973 0 50 CCAA COc1ccc(CN(C)C[C@@H]2C[C@@H](O)CN2)c(OC)c1 328598365 LUSDVZCJWPIFFC-QWHCGFSZSA-N 280.368 0.858 0 50 CCAA CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)C1CC1 123002823 PECWYMVJSHKZFZ-SCZZXKLOSA-N 292.426 0.768 0 50 CCAA C[C@@H](NS(C)(=O)=O)C(=O)NCCCc1ccncc1 219091513 ZYIUIFSITKYIAQ-SNVBAGLBSA-N 285.369 0.068 0 50 CCAA Cn1ccc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 331660038 SFFSUIOBWJMCBI-BZPMIXESSA-N 291.351 0.581 0 50 CCAA COC(=O)N1CCCC[C@@H]1C(=O)NCc1nnc(C)o1 219327533 BOEHJHGWJYZDOU-SECBINFHSA-N 282.300 0.615 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1ccc(=O)[nH]c1 219469893 WQVHICIDXDUGLF-STQMWFEESA-N 291.351 0.358 0 50 CCAA CCC1=NO[C@@H](C(=O)NCc2cnc3cnccn23)C1 219593727 PDRRRZDZWJJGHL-LLVKDONJSA-N 273.296 0.900 0 50 CCAA CNCC(=O)N1CCNC(=O)[C@H]1c1cccc(F)c1 71748985 BOWLHOHHFBSDQM-GFCCVEGCSA-N 265.288 0.045 0 50 CCAA COCCn1ccc(C(=O)N2CCOC[C@@H](C)C2)n1 373687028 CKRBTNAJRTYSRJ-NSHDSACASA-N 267.329 0.638 0 50 CCAA CC(C)[C@]1(CO)CCN(CCS(=O)(=O)N(C)C)C1 377660170 UGRHDPOEZYNSCO-GFCCVEGCSA-N 278.418 0.218 0 50 CCAA Cc1csc(CN2CCC([C@H](O)C(N)=O)CC2)n1 299745589 RFXIMXBLIOBNQU-NSHDSACASA-N 269.370 0.510 0 50 CCAA C[C@@H](OCC(F)(F)F)C(=O)N1CCO[C@H](CC(=O)O)C1 299747801 FCUBVEHOQOGTLE-HTQZYQBOSA-N 299.245 0.656 0 50 CCAA Cc1ccsc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O 220556037 TUMWBIKLYJHSBQ-RKDXNWHRSA-N 277.367 0.485 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)N1CC[C@H](CO)C1 426596509 NWLKRLSOOPSROD-NSHDSACASA-N 266.345 0.593 0 50 CCAA CCN(CC)CCNC(=O)c1nnc2nc(C)ccn12 426387261 KGBXMNBZVBQFLR-UHFFFAOYSA-N 276.344 0.504 0 50 CCAA CN1CCC[C@H](C(=O)NCCCn2ccnn2)C1 230495777 CEJVJWQQQASJPO-NSHDSACASA-N 251.334 0.126 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1C1[C@H]3[C@H]4[C@H]3C2[C@H]2[C@@H]1[C@@H]42 247848320 FOVABRXCXSLHGN-GDZMQOBESA-N 279.299 0.648 0 50 CCAA CCOCC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O 244900167 ZXIZYSACXQLVSE-ZIAGYGMSSA-N 293.367 0.170 0 50 CCAA CN(C)c1nc(-c2cc(C(=O)O)cc(C(=O)O)c2)nn1C 534642247 JNUDGSUXCCCCRC-UHFFFAOYSA-N 290.279 0.945 0 50 CCAA Cc1cccc2c1NC(=O)CN(CCN(C)C)C2=O 534652009 OGCHSYVMIOTTPP-UHFFFAOYSA-N 261.325 0.951 0 50 CCAA COc1cc(NCCN2CCC(CO)CC2)nc(OC)n1 534664789 BTPZPFLPGCCVNM-UHFFFAOYSA-N 296.371 0.610 0 50 CCAA C[C@H](CCNc1nc[nH]c2ncnc1-2)N1CCN(C)CC1 534577217 ANTNONWVNABNIA-LLVKDONJSA-N 289.387 0.742 0 50 CCAA Cc1ccc(N2CCC(N[C@@H](CO)C(=O)O)CC2)cc1 534643823 RMPBKGGUPVCUEP-AWEZNQCLSA-N 278.352 0.999 0 50 CCAA Cc1cnn([C@@H](C)CNC(=O)c2cncc(=O)[nH]2)c1 534629945 SLVJGLFOELUTCQ-VIFPVBQESA-N 261.285 0.266 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCC(N2CCCC2)CC1 827911300 SPLCMCDFUFIKDR-UHFFFAOYSA-N 288.413 0.508 0 50 CCAA COCCn1cnnc1CNC(=O)[C@@H](C)n1cccc1 584900318 BTKFITCOSLULCS-LLVKDONJSA-N 277.328 0.603 0 50 CCAA O=C(NCc1c(F)cccc1F)N[C@@H]1CNCC[C@@H]1O 1565506868 NVAZFIDWJIYUCF-NEPJUHHUSA-N 285.294 0.487 0 50 CCAA O=C(N[C@@H]1CNCC[C@@H]1O)c1cccc2cc[nH]c12 1565510892 YSZGLEIWPUZISQ-NEPJUHHUSA-N 259.309 0.621 0 50 CCAA CNC(=O)[C@H]1CN(c2nccnc2OC(C)C)CCO1 302149405 KVTHOUQZJPKPHE-SNVBAGLBSA-N 280.328 0.215 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)CC[C@H]1CCO1 408521900 AFAQAIKIVYUDMY-NWDGAFQWSA-N 268.357 0.929 0 50 CCAA Cc1ncc(/C=C/C(=O)N2CCO[C@H](C(=O)O)C2)s1 408513439 GUNNBKOYKILCKQ-PBKGFPTLSA-N 282.321 0.777 0 50 CCAA CCO[C@@H]1COC[C@H]1NC(=O)c1ccn(C(C)C)n1 408520602 NPMLGRSWLJXYDI-VXGBXAGGSA-N 267.329 0.998 0 50 CCAA Cc1ccc(Cl)c(S(=O)(=O)N[C@H](CO)C(=O)O)c1 275231924 JLOHTFLAJQGCKH-MRVPVSSYSA-N 293.728 0.372 0 50 CCAA O=C(Nc1cc(CC2CC2)[nH]n1)[C@]12CNC[C@H]1COC2 634308515 UBKNIBNXVKXSTM-HZMBPMFUSA-N 276.340 0.537 0 50 CCAA COc1cncc(CN2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)c1 643837947 DVZVBONRBXUEOK-GXTWGEPZSA-N 289.339 0.823 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cncc(O)c1 644230508 HLZLPLGISGODOA-YUTCNCBUSA-N 291.351 0.505 0 50 CCAA Cc1nsc(N2CC[C@H](n3cc(C(=O)O)nn3)C2)n1 572511638 KBFHHTLTNLPRKC-ZETCQYMHSA-N 280.313 0.588 0 50 CCAA O=C(O)CN1C(=O)c2c(F)cccc2S1(=O)=O 1610781425 ZSMLRSPLYFCECS-UHFFFAOYSA-N 259.214 0.055 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)CCc1ccsc1 1615549081 PCMHDAMOWLBPFD-GHMZBOCLSA-N 254.355 0.784 0 50 CCAA Cc1ccncc1CNC(=O)N[C@@H](C)c1nnnn1C 1615615126 OSTOZCGOOYJEIS-VIFPVBQESA-N 275.316 0.474 0 50 CCAA NC(=O)[C@@H]1CCCN(CCCN=c2cc[nH]cc2F)C1 1506408487 SRCNMAPXPKLKTO-LLVKDONJSA-N 280.347 0.642 0 50 CCAA O=C(O)c1cnc(NCCCN2CCC[C@@H](CO)C2)cn1 1506419916 ZRWRKZQWDHEFPO-LLVKDONJSA-N 294.355 0.681 0 50 CCAA Cc1cc(C[C@@H]2CN(CCc3nccn3C)C[C@H]2O)on1 1704335692 DLBZODYQRMBKPR-TZMCWYRMSA-N 290.367 0.794 0 50 CCAA N[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CO 16697405 YXCPNFNWSNFFFZ-NEPJUHHUSA-N 250.298 0.575 0 50 CCAA in-vitro CCOC(=O)[C@@H](CC)N1CCC[C@@H](NS(C)(=O)=O)C1 229606465 PKPWHCLIEOGMMQ-GHMZBOCLSA-N 292.401 0.342 0 50 CCAA COc1nc(N[C@H](C)c2n[nH]c(CC(=O)O)n2)ncc1F 1772707868 WKIFUQLKDKHIND-RXMQYKEDSA-N 296.262 0.543 0 50 CCAA COC(=O)CCCCc1c(OC)nc(N)nc1OC 5669971 WTKCNZWLFNDVJW-UHFFFAOYSA-N 269.301 0.962 0 50 CCAA O=C1C[C@H]2CN(C(=O)Cn3ncc4ccccc43)C[C@H]2N1 1857673902 NKGMXBYTODZDFJ-NWDGAFQWSA-N 284.319 0.383 0 50 CCAA CCN1CCOC[C@H]1C(=O)NCc1ccc(C(=O)O)cc1 630097177 VUDKYCOXXMNYRO-ZDUSSCGKSA-N 292.335 0.722 0 50 CCAA CCc1ncc(NC(=O)CN2CCCC[C@H](O)C2=O)cn1 644403492 UILCXUMWCOBNSL-NSHDSACASA-N 292.339 0.351 0 50 CCAA CC(C)(C(N)=O)c1nc(-c2ccc3nn[nH]c3c2)no1 350504470 JBIARFLBVGSMOA-UHFFFAOYSA-N 272.268 0.771 0 50 CCAA O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CCN(c2cccnn2)CC1 265080821 MSEGBZIQUBRALT-JHJVBQTASA-N 288.351 0.693 0 50 CCAA COCOc1ccc(NC(=O)C[C@H]2CC(=O)NC2=O)cc1 824468419 QNJQPKPKBBYTPL-VIFPVBQESA-N 292.291 0.661 0 50 CCAA O=C(Nc1cnns1)N[C@@H]1CCN(CC(F)F)C1 931001014 XVONJCJMIVIDTI-ZCFIWIBFSA-N 277.300 0.999 0 50 CCAA Cc1cc(NCc2nnc3ccc(N(C)C)nn23)ncn1 952879400 HQGNHBHKPAPZPX-UHFFFAOYSA-N 284.327 0.901 0 50 CCAA Cn1ncc(S(=O)(=O)Nc2cccc(C3CC3)n2)n1 952991586 BFGSRTMUOQUHPL-UHFFFAOYSA-N 279.325 0.888 0 50 CCAA CCn1ncc(S(=O)(=O)N(c2cnn(C)c2)C(C)C)n1 1875289718 KRVFKIYMZLLMDA-UHFFFAOYSA-N 298.372 0.635 0 50 CCAA COc1ccc(Cl)cc1NCC(=O)NS(C)(=O)=O 1875390922 RXCSKERREAMLRO-UHFFFAOYSA-N 292.744 0.836 0 50 CCAA O=C(Cc1cnns1)N[C@@H]1CCOC[C@@H]1N1CCCC1 1875397015 HVVOQEUSDDMQSJ-NEPJUHHUSA-N 296.396 0.450 0 50 CCAA C[C@]1(C(=O)O)CCN(C(=O)c2ccc3nncn3c2)C1 268931211 AIUAFMKGQPLPGH-ZDUSSCGKSA-N 274.280 0.666 0 50 CCAA Cn1nccc1[C@@H](NC(=O)CC[C@H]1CCOC1)C(=O)O 402530101 PLNKDSPBAQPADW-JOYOIKCWSA-N 281.312 0.479 0 50 CCAA O=C(NCCN1CCc2ccccc21)[C@H]1C=CCN1 534676884 NQUMYKARZFABHZ-CYBMUJFWSA-N 257.337 0.693 0 50 CCAA O=C(O)c1ccc(CNC(=O)[C@H]2CCCS2(=O)=O)o1 581199686 LDUWVUKRXVBDBY-SECBINFHSA-N 287.293 0.171 0 50 CCAA CC(C)CC(=O)N1CCN(C(=O)c2cnc(N)s2)CC1 584885025 XOLGIGXSIORRCK-UHFFFAOYSA-N 296.396 1.056 0 50 CCAA Cc1nc2c([nH]1)[C@H](C(=O)N[C@@]1(C(=O)O)CCOC1)CCC2 2325829912 WBXSECURSMDMBI-OTYXRUKQSA-N 293.323 0.498 0 50 CCAA O=C(c1cnc2cccnn12)N1C[C@H]2COC[C@H]2C1 872315043 TWOPESCEZVFLRZ-AOOOYVTPSA-N 258.281 0.448 0 50 CCAA O=C(O)CNC(=O)c1cncc(Br)c1 249159 NYYJXEYEUCFMSV-UHFFFAOYSA-N 259.059 0.659 0 50 CCAA CS(=O)(=O)N1CN(S(C)(=O)=O)c2ccccc21 281945 PARIHMXPZJBXCW-UHFFFAOYSA-N 276.339 0.190 0 50 CCAA Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CCOC2)c1 4535467 NGUKWISTVXJVJI-ZDUSSCGKSA-N 276.336 0.764 0 50 CCAA O=C(CSc1n[nH]c(=O)[nH]1)N1CCc2ccc(F)cc21 225391647 JSLDZNFCFUFCSN-UHFFFAOYSA-N 294.311 0.919 0 50 CCAA CN1CCN(Cc2ccc3nonc3c2)C[C@H]1CCO 104467060 ZFMQHSCKYDSYDG-GFCCVEGCSA-N 276.340 0.721 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)CCC1CCOCC1 299749385 KDLSOMGAUMRONO-LLVKDONJSA-N 271.313 0.505 0 50 CCAA CN(CC(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O 22606415 DDGLDVKWPWBYKT-UHFFFAOYSA-N 290.772 0.848 0 50 CCAA O=C1c2ccccc2C(=O)N1C1CC(OCCO)C1 307037801 FHCLDIVBOPURBQ-UHFFFAOYSA-N 261.277 0.823 0 50 CCAA Cc1nn(C)cc1[C@@H](C)NC(=O)CSc1nncn1C 68152970 LGHLICGJTJVQAC-MRVPVSSYSA-N 294.384 0.827 0 50 CCAA CC(C)Oc1cc(N2CCC(C(N)=O)CC2)nc(N)n1 65372498 DGVPGTHIARJNGE-UHFFFAOYSA-N 279.344 0.548 0 50 CCAA C[C@@H](Cn1cncn1)NC(=O)c1ccc2[nH]nnc2c1 68087362 OTCDVCRXCDNDNQ-QMMMGPOBSA-N 271.284 0.368 0 50 CCAA CSCC[C@@H](NC(=O)Cc1c(C)n[nH]c1C)C(=O)O 37431183 IAOJXYIHLZZIIF-SNVBAGLBSA-N 285.369 0.892 0 50 CCAA COCCN1C[C@H](C(=O)Nc2cnn(C)c2C)CC1=O 177265757 XOHSCQANAAAUOH-SNVBAGLBSA-N 280.328 0.162 0 50 CCAA COCCN1CC[C@H](CNC(=O)CCc2cnn(C)c2)C1 68492297 FDHFDAHOTRKWOW-CQSZACIVSA-N 294.399 0.437 0 50 CCAA COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 7673 VPPJLAIAVCUEMN-GFCCVEGCSA-N 250.298 0.454 0 50 CCAA biogenic,fda Cc1nonc1CC(=O)N(C)CCN(C)C1CC1 328598568 NGYMPQPAPIVLHS-UHFFFAOYSA-N 252.318 0.473 0 50 CCAA COc1ccc(C)cc1S(=O)(=O)N1CCN(C)CC1 35993543 XTVWBDNKXYDAPS-UHFFFAOYSA-N 284.381 0.940 0 50 CCAA CCc1nc(CN2CCCC[C@H]2C(=O)NC)n[nH]1 181746629 LSZHAHOAFZPFOJ-VIFPVBQESA-N 251.334 0.468 0 50 CCAA CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 36091344 JFGUPMRJQNXLDX-LLVKDONJSA-N 266.297 0.533 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)N[C@H]1C[C@@H](C(=O)O)C1 426689812 DFPYYUAJAPYIGM-UJNFCWOMSA-N 251.286 0.732 0 50 CCAA CCCn1cnnc1CNC(=O)[C@H]1CC[C@@H](N)C1 72463703 ISDHZOKBBPGIAK-VHSXEESVSA-N 251.334 0.432 0 50 CCAA CN1CCO[C@H]2CN(c3nnc(C(F)F)o3)C[C@H]21 330355281 QLYJHNBMKWLXTJ-RQJHMYQMSA-N 260.244 0.526 0 50 CCAA C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@H](C)N1 153697722 AZPBHSJBDZFFPQ-UWVGGRQHSA-N 289.335 0.840 0 50 CCAA Cn1ncnc1[C@H]1COCCN1CCCN1CCCC1 375295426 HUAABTMIQAEBNF-CYBMUJFWSA-N 279.388 0.674 0 50 CCAA Cn1cc(S(=O)(=O)N2CCC[C@H]2CN)nc1Cl 237801645 XHXQSBNWUIUBDK-ZETCQYMHSA-N 278.765 0.185 0 50 CCAA Cc1cc(N2CC[C@@](O)(c3c[nH]nn3)C2)nc(C2CC2)n1 284595143 QMEFKBSZFYMTBE-AWEZNQCLSA-N 286.339 0.878 0 50 CCAA COc1cccc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1F 286829407 LVOUJTNKFBJNAQ-APPZFPTMSA-N 284.262 0.872 0 50 CCAA CC[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(C)C2=O)CCO1 528022431 RYEXNFNQHXQVAB-UTUOFQBUSA-N 283.372 0.864 0 50 CCAA Nc1nc(=NCCCN2CCCC2)cc([C@H]2CCOC2)[nH]1 426406159 NNPMZEGZQLJJLM-LBPRGKRZSA-N 291.399 0.882 0 50 CCAA C[C@H](O)CN1CCN(Cc2cc(CO)ccc2F)CC1 528466600 VMSDNZILETWDDZ-LBPRGKRZSA-N 282.359 0.816 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)c1ncccc1O 220710838 ADFFANLCUXULLX-VIFPVBQESA-N 291.311 0.516 0 50 CCAA CC1(O)CN(C(=O)c2ccc3c(=N)[nH]cnc3c2)C1 612694350 DVKYXCAVDJPELA-UHFFFAOYSA-N 258.281 0.249 0 50 CCAA COc1ccc(NC(=O)CNC(=O)c2cnccn2)cc1 334161013 QYXVPXJPFOVNOI-UHFFFAOYSA-N 286.291 0.854 0 50 CCAA CC(=O)c1cnc(NCCSc2nnnn2C)nc1C 91644439 RPCRIRCPWUVPFE-UHFFFAOYSA-N 293.356 0.715 0 50 CCAA CC(C)c1ccc(C(=O)NCC(C)(C)O)c(=O)[nH]1 97756378 VCDQAZZUZKWRPW-UHFFFAOYSA-N 252.314 0.999 0 50 CCAA C[C@H](CN1CCOCC1)C(=O)NCc1cccnc1N 240163590 JCCLASPCLPXYLI-LLVKDONJSA-N 278.356 0.248 0 50 CCAA O=C(O)[C@H]1C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 299753314 XTNGUVGYAIOOHC-ZJUUUORDSA-N 277.276 0.795 0 50 CCAA CCCNC(=O)CN1CCC(Nc2cnccn2)CC1 298486458 WKEUZGUWTROYMX-UHFFFAOYSA-N 277.372 0.879 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1cc(OC)ccn1 534638603 LPXLQVMVDCXZBL-RYUDHWBXSA-N 266.297 0.624 0 50 CCAA O=C(CN1CCOCC1)N1CC[C@H](Oc2ccccc2)C1 299774781 JCQSSQYRDLOCIR-HNNXBMFYSA-N 290.363 0.999 0 50 CCAA CC(C)n1cnnc1CCNC(=O)C[C@H]1CCNC1 299787744 XUBILKGPAOGDSM-LLVKDONJSA-N 265.361 0.517 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@@H](C)c1c(C)nn(C)c1C 299766998 GQKYNEWKOGAROV-LURJTMIESA-N 262.317 0.954 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)CC(C)C 823350089 VRUVXSNFGPGUCX-QWRGUYRKSA-N 264.391 0.281 0 50 CCAA Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](O)C2 828637005 UGYBLMKQRGUKGZ-SNVBAGLBSA-N 263.341 0.896 0 50 CCAA COc1cc(NCCn2cncn2)nc(OC)n1 584892277 LQZTZASAMYHJJX-UHFFFAOYSA-N 250.262 0.197 0 50 CCAA CCn1cnnc1CCn1cnc2ncccc2c1=O 584896829 VDGVHSFBHRDHLD-UHFFFAOYSA-N 270.296 0.646 0 50 CCAA CS(=O)(=O)NCC(=O)N1CC[C@@H](Oc2ccccc2)C1 670461068 UGQVOQYFGAUHTR-GFCCVEGCSA-N 298.364 0.216 0 50 CCAA CN(C)C(=O)[C@@H]1CN(c2ncnc3[nH]ccc23)CCO1 670430021 YHKVYMUFOTYOQW-JTQLQIEISA-N 275.312 0.251 0 50 CCAA Cc1nnc(N2CCN(Cc3cc[nH]n3)CC2)s1 1560157195 QTRGGZGQDCIXJZ-UHFFFAOYSA-N 264.358 0.892 0 50 CCAA CN(CC(=O)O)C(=O)c1cccc(N2CCCNC2=O)c1 269154373 UHLOKFNNPRMZDU-UHFFFAOYSA-N 291.307 0.763 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CNCCO2)C[C@H](c2ccccc2)O1 187516937 QXROZWMRPKIGET-BPLDGKMQSA-N 290.363 0.963 0 50 CCAA NC(=O)C[C@]1(O)CCCN(c2ccncc2Cl)C1 643713089 KLCSSOHUQKQSHT-GFCCVEGCSA-N 269.732 0.942 0 50 CCAA O=S(=O)(c1ccco1)N1CCOC[C@]12CCOC2 195481106 BGYCRFVOXBFZDD-LLVKDONJSA-N 273.310 0.460 0 50 CCAA CONC(=O)CN1C(=O)CSc2ccccc21 198940129 UHAMEGDOTAPYEP-UHFFFAOYSA-N 252.295 0.803 0 50 CCAA CCC/C=C/[C@H](O)C(=O)N1CC(OCc2nnc(C)o2)C1 585129304 FEPYTHGLENEEPF-FYJFLYSWSA-N 295.339 0.823 0 50 CCAA COc1ccccc1OCC(=O)N1C[C@@H](O)[C@H](F)C1 952869420 JVFNOJSRVVTIAB-NXEZZACHSA-N 269.272 0.615 0 50 CCAA O=S(=O)(c1ccc(Cl)s1)N1CC(OCCO)C1 1616036004 KVFMXDIMKSJXFK-UHFFFAOYSA-N 297.785 0.783 0 50 CCAA CC[C@H]1CN(c2nnnn2CCNC(C)=O)C[C@H](CC)O1 1616032661 SNBUTSIERALZTG-RYUDHWBXSA-N 296.375 0.203 0 50 CCAA OCC1(CO)[C@@H]2CN(Cc3ccn4nccc4c3)C[C@H]21 1772804152 HURDBEGXPJPRIS-ZIAGYGMSSA-N 273.336 0.367 0 50 CCAA CC(=O)N1CCC(NC(=O)N[C@@H]2CCC[C@H]2CN)CC1 1857528424 DFJUXSVNFHBQDD-WCQYABFASA-N 282.388 0.424 0 50 CCAA CN(C)C(=O)[C@@H]1CN(Cc2cccc3ccnn23)CCO1 1857680640 RHIRAIYILUOXJW-AWEZNQCLSA-N 288.351 0.623 0 50 CCAA Cc1nnc(CN2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)s1 1857734248 GKUCVRJQFUCSOI-UWVGGRQHSA-N 282.369 0.278 0 50 CCAA O=C(CN1CC[C@@H](CO)[C@@H](O)C1)NCc1cccs1 517272367 MZFRSZCLJSMDTN-JQWIXIFHSA-N 284.381 0.039 0 50 CCAA CN1CCN(C(=O)C(C)(C)F)C[C@@H]1c1ncc[nH]1 328619717 GDGXINJIPLESDU-SECBINFHSA-N 254.309 0.973 0 50 CCAA O[C@@H]1C[C@@H]2CCN3Cc4cc5c(cc4[C@H]([C@H]1O)[C@@H]23)OCO5 247754170 VJILFEGOWCJNIK-WMJQNZJOSA-N 289.331 0.829 0 50 CCAA biogenic C[C@H]1OCCN(C(=O)CNc2ccccc2C(N)=O)[C@@H]1C 253407724 INCVTVBDYQOYPZ-GHMZBOCLSA-N 291.351 0.833 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CCNC(=O)C[C@@H]2C)n1 824708081 ORNHWGJQYOYPPC-VIFPVBQESA-N 294.359 0.026 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)[C@@H]1Cc2ccccc2CO1 1875269748 ZLURJVKNGQIPRA-NSHDSACASA-N 288.307 0.311 0 50 CCAA Cc1cnc(CN2CCN([C@@]3(C(=O)O)CCOC3)CC2)o1 886072015 XZHUWLLWYSMJQG-AWEZNQCLSA-N 295.339 0.344 0 50 CCAA Cn1cc(C(N)=O)cc1C(=O)NC1(c2ccccc2)COC1 888566309 OUOVVJUEMRARPM-UHFFFAOYSA-N 299.330 0.780 0 50 CCAA O=C1CN(c2cc(O)ncn2)CN1CCC(F)(F)F 894046174 KSQPEIRKASUDLL-UHFFFAOYSA-N 276.218 0.741 0 50 CCAA CN1CCC(OCC(=O)N2C[C@@H](N)C3(CCC3)C2)CC1 1775961830 CSTUCQCTZVIGHE-CYBMUJFWSA-N 281.400 0.437 0 50 CCAA CCN(CC)C(=O)CN(C)C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1N 250046691 WCNKRMGSJMWKSZ-CDGCEXEKSA-N 281.400 0.687 0 50 CCAA O=C(O)CN1CCC(NC(=O)[C@@H]2CC23CCC3)CC1 426667693 WYHOERSDHGTOFB-NSHDSACASA-N 266.341 0.842 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)c2c(Cl)cnn2C)C1 630255749 MCPODCGIJOGMLZ-NSHDSACASA-N 287.703 0.389 0 50 CCAA COc1ccnc(C(=O)N[C@@H](C)[C@H](C)C(=O)O)c1 648336297 IBDNYPQXKUBFOI-YUMQZZPRSA-N 252.270 0.929 0 50 CCAA Cn1cc(C(=O)N2CC[C@]3(C(=O)O)CCC[C@H]23)nn1 711675983 QNQFSRQMDBQZTN-JOYOIKCWSA-N 264.285 0.285 0 50 CCAA O=C1CC[C@H](Nc2cc(C(F)F)ncn2)C(=O)N1 724648459 PCPGLKSKXXYGJN-YFKPBYRVSA-N 256.212 0.631 0 50 CCAA CN1CCN(Cc2noc3c2CCCC3)C[C@H]1CO 828724540 KZBSIMRDRXEBPR-NSHDSACASA-N 265.357 0.662 0 50 CCAA O=C([C@H]1CCCNCC1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775984070 YOMYJQBEAYLKTK-WUHRBBMRSA-N 252.358 0.605 0 50 CCAA CC(=O)Nc1cc(C(=O)N2CC[C@H](CO)[C@H]2C)ccn1 2325758501 PLZVSSXEPBIHCV-BXKDBHETSA-N 277.324 0.883 0 50 CCAA NC[C@@H](CO)NC(=O)c1cc2cc(Cl)ccc2[nH]1 2325797844 XOFDLTLFAZSQPR-VIFPVBQESA-N 267.716 0.871 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 52931 MKLKAEFDIVQLTD-UHFFFAOYSA-N 282.365 0.881 0 50 CCAA O=C(NN1CCSCC1)NN1CCSCC1 392046 MABSIOSDOYAZJR-UHFFFAOYSA-N 262.404 0.213 0 50 CCAA Nc1nc2c(s1)c(=O)[nH]c(=O)n2-c1ccccc1 528822 CDEOKOOMBMTSAL-UHFFFAOYSA-N 260.278 0.718 0 50 CCAA CCOC(=O)[C@](CO)(CNC(C)=O)c1ccccc1 4828822 MHWFLADBGULOBR-AWEZNQCLSA-N 265.309 0.616 0 50 CCAA O=C1CN(c2ccccc2)C(=O)[C@@H]1C(=O)N1CCOCC1 101296967 IRBKMWKLJCUWIX-ZDUSSCGKSA-N 288.303 0.077 0 50 CCAA NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccon2)c1 102545968 IRUKRKATIJFITA-UHFFFAOYSA-N 299.283 0.391 0 50 CCAA O=C1C[C@@H](CN=c2[nH]nc(C3CC3)o2)CN1C1CC1 329218067 RGVYRLMSHSVPRU-QMMMGPOBSA-N 262.313 0.792 0 50 CCAA CC(C)CNC(=O)CCCN(CC(N)=O)C(C)C 408522515 AQWUMASOECCZAV-UHFFFAOYSA-N 257.378 0.735 0 50 CCAA CO[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 76389298 PFGYRBORVOUHSR-SECBINFHSA-N 259.331 0.220 0 50 CCAA O=C(O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 363785608 CEPMZVORDJBTTJ-SECBINFHSA-N 266.272 0.995 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCCc1ccncc1 219329993 UMWYCRGWMFBJKI-VIFPVBQESA-N 251.286 0.485 0 50 CCAA O[C@@H]1COCCN(c2noc(-c3ccccc3)n2)C1 77505242 FUHLHHADQYBAQN-NSHDSACASA-N 261.281 0.934 0 50 CCAA CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H](C)[C@@H]1CN 236731608 DTPVIXSAKIISPF-RYUDHWBXSA-N 290.429 0.643 0 50 CCAA Cc1c(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)nnn1C 262406789 OVZOIESREZZXDX-DCAQKATOSA-N 292.339 0.981 0 50 CCAA Cc1cc(O)nc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1 495798347 AHGQHWORUYSOPK-VIFPVBQESA-N 277.280 0.372 0 50 CCAA Cc1cccnc1[C@H](C)NC(=O)CCN(C)S(C)(=O)=O 71748486 PLTCLYUFRRJZGY-NSHDSACASA-N 299.396 0.849 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(C2CC2)C1 334310551 OZWJLCCGJDCFQV-RYUDHWBXSA-N 266.341 0.982 0 50 CCAA O=c1onc(-c2ncccn2)n1CCc1cscn1 242100090 WEHBERKIJDDIDR-UHFFFAOYSA-N 275.293 0.993 0 50 CCAA COc1cccc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1F 285418386 HTQPEBFNFKBKEK-AWEZNQCLSA-N 296.298 0.287 0 50 CCAA CN1CCCC[C@@H]1CC(=O)NCCc1nccn1C 426368415 YVJHWEFROYAWHF-GFCCVEGCSA-N 264.373 0.953 0 50 CCAA Cc1csc([C@@H](C)C(=O)NCc2nc(C(N)=O)co2)n1 617487322 WEZWGFFMNRUVCR-ZETCQYMHSA-N 294.336 0.958 0 50 CCAA CCCn1ncc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1C 91943658 YNWAMUOBMODDPR-LLVKDONJSA-N 299.396 0.766 0 50 CCAA COc1cc(N2CCN(C[C@@H]3CCCO3)CC2)ncn1 178799863 RIITXZJTMLYXJZ-LBPRGKRZSA-N 278.356 0.786 0 50 CCAA COCCC[C@]1(CO)CCCN(CCC(=O)O)C1 91586585 LBTRGMPOFORXHM-CYBMUJFWSA-N 259.346 0.962 0 50 CCAA COCC[C@]1(O)CCN(C(=O)Cn2ccc(C)n2)C[C@H]1C 91474936 QDGACHKSLCUNEP-IUODEOHRSA-N 295.383 0.828 0 50 CCAA COC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 97756736 XAWDOJXESCPBEB-QMMMGPOBSA-N 295.357 0.487 0 50 CCAA CSCc1noc(CN2CCN(C)[C@H](CCO)C2)n1 244787824 QEGGUBNJWKZQMF-SNVBAGLBSA-N 286.401 0.431 0 50 CCAA CCC[C@@H](NC(=O)c1n[nH]c(O)n1)c1nccn1C 534673109 CBEABIQOCMEIDP-SSDOTTSWSA-N 264.289 0.515 0 50 CCAA O=C(c1ccco1)N1CCN(C(=O)[C@@H]2C=CCN2)CC1 534585458 TVDOXCNRZFPZES-NSHDSACASA-N 275.308 0.092 0 50 CCAA Cc1noc(C)c1CC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 534648354 ARQRYBAHUSNNMN-ZYHUDNBSSA-N 277.324 0.770 0 50 CCAA CC(C)[C@@H](NC(=O)c1csc(N)n1)c1ncnn1C 299797281 QJANLWGOTVQJTR-MRVPVSSYSA-N 280.357 0.981 0 50 CCAA CCCN1CCN(CN2CCN(CCC)CC2)CC1 725377880 DUBADPIEVWTQDM-UHFFFAOYSA-N 268.449 0.999 0 50 CCAA CSCC[C@H](N)C(=O)NCc1cnc(SC)n1C 824964616 SAQMVNNYZSGYIP-VIFPVBQESA-N 288.442 0.839 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)[C@H]2COCCO2)c2ccccc21 132005438 ASTPMQHGOSYHTI-ZYHUDNBSSA-N 277.276 0.617 0 50 CCAA C[C@@H](O)C(=O)N[C@@](C)(CO)Cn1cnc2ccccc21 1363081187 GWPNYUSJUFBUNT-QMTHXVAHSA-N 277.324 0.284 0 50 CCAA CS(=O)(=O)CCNC1CCC2(CCNCC2)CC1 952981574 NXDYMLSZNMETJS-UHFFFAOYSA-N 274.430 0.933 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)[C@H](N)CCS2(=O)=O 72267139 WMBSIHWRPQTLQI-MRVPVSSYSA-N 276.358 0.122 0 50 CCAA in-vitro O=C1COc2cc(C(=O)N3C[C@@H](F)C[C@H]3CO)ccc2N1 408054090 QPYLCTYIVHAZSF-UWVGGRQHSA-N 294.282 0.562 0 50 CCAA Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1nnnn1C 408088458 FWFGRRYYLUGZHM-NSHDSACASA-N 291.359 0.134 0 50 CCAA CCOC(=O)[C@@H](CC(=O)N(C)CCN(C)C1CC1)C(C)=O 408518014 RQZFLKGSZHDXAV-ZDUSSCGKSA-N 298.383 0.697 0 50 CCAA Cn1nnc(CN2CCC[C@H](C3(C)OCCO3)C2)n1 170616899 FNZQVMUIOCLFAZ-JTQLQIEISA-N 267.333 0.185 0 50 CCAA CCN(CC)[C@@H]1CCN(C(=O)[C@]2(C)CCN(C)C2=O)C1 635627572 RXCHMRQGJKDEIC-IUODEOHRSA-N 281.400 0.798 0 50 CCAA C[C@H]1CN(CC2OCCO2)C[C@@H](C)N1CC1OCCO1 191140882 XSTVBGPYWRIKSA-TXEJJXNPSA-N 286.372 0.127 0 50 CCAA COCCN1CCCN(C(=O)[C@H]2CC2(C)C)CC1=O 191237917 YAVZGKQUAZBOLR-LLVKDONJSA-N 268.357 0.740 0 50 CCAA COCCN(C)S(=O)(=O)N1CCCC[C@@H]1CC(=O)O 646035379 IWTQBRKMFOTXAU-SNVBAGLBSA-N 294.373 0.139 0 50 CCAA Cc1cc(NC(=O)Cn2nc(C)sc2=O)on1 192458420 NPSFFJVHWJUFNM-UHFFFAOYSA-N 254.271 0.548 0 50 CCAA CC1(C)CNCC[C@@H]1NC(=O)CS(=O)(=O)C(C)(C)C 562977741 MTKYBYHVEYNFPN-JTQLQIEISA-N 290.429 0.704 0 50 CCAA Cc1cccc(C(=O)N2CCC(O)(c3nn[nH]n3)CC2)c1 798148759 QDKZUOPFTIAJMG-UHFFFAOYSA-N 287.323 0.632 0 50 CCAA COc1cnc(C(=O)N[C@H]2CCCn3c(C)nnc32)nc1 1615047668 CIBOUQRWYASMFM-JTQLQIEISA-N 288.311 0.650 0 50 CCAA C[C@@H]1CN(Cc2ccc3onc(N)c3c2)CC(=O)N1 1616037242 HNRQXYLCUMBRRJ-MRVPVSSYSA-N 260.297 0.730 0 50 CCAA C[C@@H](O)CNS(=O)(=O)Cc1cccc2nsnc12 1616037101 CAZBEXKYPUBIFU-SSDOTTSWSA-N 287.366 0.492 0 50 CCAA CCCn1ccnc1CNC(=O)c1cccc(=O)[nH]1 220108972 HAOGASLSYDYWHT-UHFFFAOYSA-N 260.297 0.911 0 50 CCAA CCC[C@H]1C(=O)NCCN1C(=O)c1cncnc1C 122304220 ARMMMBYYMZWXHH-NSHDSACASA-N 262.313 0.526 0 50 CCAA CCC(=O)NCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704351479 XFRUVSHMSMCGFS-CHWSQXEVSA-N 291.351 0.282 0 50 CCAA O=C1CO[C@@]2(CCN(C3Cc4ccccc4C3)C2)CN1 1772814067 IAPJVJQXPPLUNQ-INIZCTEOSA-N 272.348 0.745 0 50 CCAA Cn1ccn2ncc(C(=O)N3C[C@H]4C[C@H](O)C[C@H]4C3)c12 1775979028 YAQVQJSYABYWQP-URLYPYJESA-N 274.324 0.516 0 50 CCAA N=c1[nH]nc(N2CCO[C@H](c3cccnc3)C2)s1 1857671707 YIVJWPJYSZTOID-VIFPVBQESA-N 263.326 0.924 0 50 CCAA CN1C(=O)NCC12CN(Cc1noc(-c3ccccc3)n1)C2 1857703822 ZGNUJGKUKCBFQL-UHFFFAOYSA-N 299.334 0.946 0 50 CCAA Cc1nn(CCC(=O)N2C[C@@H]3C[C@H]2C(=O)N3)c(C)c1C 1857700972 JCXNDNUFCMRWGA-RYUDHWBXSA-N 276.340 0.298 0 50 CCAA O=C(O)CNS(=O)(=O)c1ccc(Br)cc1 167607 NDAHRASKKXWZMD-UHFFFAOYSA-N 294.126 0.812 0 50 CCAA in-vitro C[C@H]1CCN[C@@H](C(=O)Nc2cc(C(N)=O)n(C)c2)C1 335627385 QQBDWNIAQZYYRV-WCBMZHEXSA-N 264.329 0.451 0 50 CCAA COc1ccc(NC(=O)CN2CCOCC2)c(C)n1 156349872 CXPKKODTXZHJOP-UHFFFAOYSA-N 265.313 0.669 0 50 CCAA Cn1ccc(C(=O)N2CC(Oc3nccs3)C2)cc1=O 820060846 ACSZMPLRIABEDH-UHFFFAOYSA-N 291.332 0.745 0 50 CCAA CCOCCNC(=O)C(=O)NC1CC2(CO[C@@H](C)C2)C1 929330101 BRGUWSWOXZYHPA-IFQILLTASA-N 284.356 0.213 0 50 CCAA Cc1ncc(C(=O)N[C@]23CCC[C@H]2CNC3)c(N)n1 1122433470 ZUWYTVSVXOYEIB-ZANVPECISA-N 261.329 0.239 0 50 CCAA CC(=O)N1CC(CNC(=O)c2cccc3c2CNC3=O)C1 1875278314 PNQLWPHVNXHWQD-UHFFFAOYSA-N 287.319 0.138 0 50 CCAA CCCNC(=O)CN1CCC[C@@H]1c1n[nH]c(C)n1 1875276504 UARKOKRHMWIHJH-SNVBAGLBSA-N 251.334 0.776 0 50 CCAA CO[C@H]1CCC[C@H]1S(=O)(=O)NCc1cc(C)no1 1875362739 QRTCUDAVVNMSEC-WDEREUQCSA-N 274.342 0.970 0 50 CCAA Cc1noc(C[C@]2(O)CCCN(Cc3c[nH]nc3C)C2)n1 888076985 BCJWMBIIXQRSJT-CQSZACIVSA-N 291.355 0.979 0 50 CCAA COc1ccc(OCCOCCNCCN)cc1 22034199 FVBPEYVITVXGNV-UHFFFAOYSA-N 254.330 0.639 0 50 CCAA CNC[C@H](C)CNS(=O)(=O)C[C@@H]1CCCCO1 178955158 BWBZPHLOZNOYDS-QWRGUYRKSA-N 264.391 0.330 0 50 CCAA NC(=O)[C@]1(O)CCN(C(=O)c2cccc3[nH]ccc23)C1 312505695 RFLVRNFRAUKIAQ-AWEZNQCLSA-N 273.292 0.230 0 50 CCAA CN(CC1CC1)C[C@@H]1CCN(Cc2nnn(C)n2)C1 328616712 STBHHTCFCBAJNZ-LBPRGKRZSA-N 264.377 0.374 0 50 CCAA CC(C)C[C@@H](CC(=O)O)NC(=O)CN1CCCC1=O 426506562 GMHQQIKQQTVBBG-JTQLQIEISA-N 270.329 0.614 0 50 CCAA Cn1nccc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 864273666 LXBZSYKIAHTDAP-SNVBAGLBSA-N 281.312 0.277 0 50 CCAA CN(C)CCNC(=O)Cc1nc(-c2ccncc2)n[nH]1 12421819 RMHPYFFTHLHLBR-UHFFFAOYSA-N 274.328 0.087 0 50 CCAA O=C(O)CN(C(=O)[C@H]1CCn2ncnc2C1)C1CCCC1 2325784728 GEDBQRZCMQRIJB-JTQLQIEISA-N 292.339 0.696 0 50 CCAA Cn1nccc1-c1ccc(N2CCC[C@@H]2C(=O)O)nn1 900939986 HIJATRCMHGGGAC-LLVKDONJSA-N 273.296 0.931 0 50 CCAA COc1cncc(CNS(=O)(=O)c2conc2C)c1 919375727 QZYSEBGPLMLVTC-UHFFFAOYSA-N 283.309 0.865 0 50 CCAA Cc1ccc(C[C@@H]2CC(=O)N(CC(=O)O)C2=O)cc1 302460 PVQBMRARXZDVQT-LLVKDONJSA-N 261.277 0.997 0 50 CCAA COC1(CN(C)C)CCN(C(=O)c2cnccn2)CC1 2356165083 SLSOOBIIHVKLLT-UHFFFAOYSA-N 278.356 0.659 0 50 CCAA CCN1CCO[C@H](C(=O)N2CCc3ccc(O)cc3C2)C1 225486055 CPNUJHWSPGNHOK-HNNXBMFYSA-N 290.363 0.998 0 50 CCAA O=C1NCCN(C(=O)c2cc[nH]n2)[C@H]1c1ccccc1 225523528 SQXVYQCWZRIMIV-LBPRGKRZSA-N 270.292 0.723 0 50 CCAA CCN(C)c1cc(N2CCN3CCN(C)C[C@@H]3C2)ncn1 67772868 IBYHALWLYAZVAH-CYBMUJFWSA-N 290.415 0.369 0 50 CCAA CC1(C)NC(=O)N(CC(=O)NCCc2cscn2)C1=O 110805888 HQIQXCHZRQMFOG-UHFFFAOYSA-N 296.352 0.132 0 50 CCAA O=C(CO)NCC[C@@H]1CCCN(Cc2ccco2)C1 67820407 RHMWNNCAYFQVGS-LBPRGKRZSA-N 266.341 0.990 0 50 CCAA COc1ccc(-n2c(CN)n[nH]c2=O)cc1Cl 65469892 XKHLVQYQNSDFBP-UHFFFAOYSA-N 254.677 0.681 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2ccc(N)nc2)[C@H]2CCO[C@H]21 1074617683 BAOQFENHNBCCIJ-RSLMWUCJSA-N 277.324 0.444 0 50 CCAA COCCCC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 328635323 NGYKXQDGMIHTFI-ZDUSSCGKSA-N 292.383 0.936 0 50 CCAA Cc1cc(F)ccc1CC(=O)N1CCN(C)[C@@H](C(=O)O)C1 67473244 TVHXLLXQCZIKPZ-CYBMUJFWSA-N 294.326 0.904 0 50 CCAA CN(C)Cc1nnc(C(=O)N(C)C[C@H]2CCCCO2)o1 71771744 SNTNRFDRSUMZDD-SNVBAGLBSA-N 282.344 0.772 0 50 CCAA Cc1cc2c(=N[C@@H](C)C3(S(C)(=O)=O)CC3)[nH]ccn2n1 329214474 LEKPVPXNHYXIII-JTQLQIEISA-N 294.380 0.837 0 50 CCAA Cn1nnnc1Cn1cc(C(F)(F)F)ccc1=O 330776861 JMDORNBLAOXXDY-UHFFFAOYSA-N 259.191 0.439 0 50 CCAA CN1N=C(C(=O)Nc2cc(C(=O)O)cs2)CCC1=O 376986904 UUEDRMIOMJTKLZ-UHFFFAOYSA-N 281.293 0.993 0 50 CCAA O=C1NCCCC[C@H]1n1cnc2ccncc2c1=O 32553497 JDGIJOULIXLKPA-LLVKDONJSA-N 258.281 0.633 0 50 CCAA Cc1nn(C)cc1CNC1CCN(CC(=O)N(C)C)CC1 157712001 VNQUFKQTYFFYFO-UHFFFAOYSA-N 293.415 0.371 0 50 CCAA O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1C[C@]12CCNC2 262305829 CEXSHTSUOQJFTP-ZOBUZTSGSA-N 285.391 0.989 0 50 CCAA COCc1ccccc1S(=O)(=O)N(C)[C@H](C)C(=O)O 262457239 RRNVERMPSIIFPH-SECBINFHSA-N 287.337 0.927 0 50 CCAA Cc1cc(C(=O)N2CCC[C@]3(CNC(=O)O3)C2)nc(N)n1 215145842 PQGCAZUYZZVNIV-ZDUSSCGKSA-N 291.311 0.082 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 285638222 FGIVGHLBSNJYGJ-NWDGAFQWSA-N 263.341 0.868 0 50 CCAA C[C@@H]1CCO[C@@H]1C(=O)NCCc1nnc(S)n1C 160179291 UQXSOZLMOYTDMF-APPZFPTMSA-N 270.358 0.188 0 50 CCAA COC[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCO1 178143780 IQDYZJGROKIGRP-UONOGXRCSA-N 278.352 0.430 0 50 CCAA O=C(N[C@H](CO)CN1CCCCC1)c1ccncc1 288503427 MPECSDOLLZUGKG-ZDUSSCGKSA-N 263.341 0.658 0 50 CCAA CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)OC 40463862 JESAIABWEWIKBD-GUBZILKMSA-N 276.402 0.771 0 50 CCAA O=C(CCN1CCCCCC1=O)NCCc1cnccn1 222915419 QLXFRMPCCKGQJA-UHFFFAOYSA-N 290.367 0.928 0 50 CCAA C[C@H]1CN(C[C@H]2CCCN2C(=O)CCN)C[C@@H](C)O1 237675694 GWECDHHUUJRMAP-FRRDWIJNSA-N 269.389 0.435 0 50 CCAA CNc1ncc(C(=O)N[C@@H](CC(=O)O)CC(C)C)cn1 426465153 IMEAIOOTDBUOFF-SNVBAGLBSA-N 280.328 1.138 0 50 CCAA C[C@@H]1CN(C(=O)CCCc2cn[nH]c2)C[C@]1(C)O 91254557 VMFTYLJAVYMAMV-MFKMUULPSA-N 251.330 0.962 0 50 CCAA Cc1nc(Cc2c[nH]c(=O)[nH]c2=O)n(C(C)(C)C)n1 96137878 LOHCWNAKGVCPEF-UHFFFAOYSA-N 263.301 0.309 0 50 CCAA C[C@H]1CN(CC(=O)NC(N)=O)Cc2ccccc2O1 292376974 JHCPADIHESZAED-VIFPVBQESA-N 263.297 0.464 0 50 CCAA COCCCn1cnnc1CNC(=O)[C@@H](C)n1ccnc1 426550116 YIBOKAAOLGOYMZ-LLVKDONJSA-N 292.343 0.389 0 50 CCAA CC(=O)N1CCN(Cc2cscn2)C[C@@H](O)C1 91504368 LWNNPLRSHZZYRT-LLVKDONJSA-N 255.343 0.168 0 50 CCAA OC[C@H]1CCCN(CCCNc2ccncn2)C1 91434779 NDDXGLQEJBVTJL-LBPRGKRZSA-N 250.346 0.983 0 50 CCAA Cc1cnn(CC(=O)NCCCOC2CCN(C)CC2)c1 244594199 DIBPWMYMAYAQEP-UHFFFAOYSA-N 294.399 0.809 0 50 CCAA CO[C@@H]1CN(Cc2ncc(C)o2)C[C@H]1c1cnn[nH]1 621319571 GAXJHVUWGINAQI-GXSJLCMTSA-N 263.301 0.716 0 50 CCAA CCc1nccn1CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 243892375 AHEPDQKXTDIATE-NWDGAFQWSA-N 262.357 0.608 0 50 CCAA C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccccc23)C(=O)O1 267829995 JVIHOWYAVBXKNL-GMSGAONNSA-N 259.265 0.997 0 50 CCAA NC(=O)[C@H]1CC[C@@H]1C(=O)N1Cc2ccc(O)cc2C1 628538131 CGWQNUFNNXPZFI-RYUDHWBXSA-N 260.293 0.746 0 50 CCAA O=C(CCn1cncn1)NCC[C@@H]1CCCOC1 534632214 VHOMCILCYGOZQG-NSHDSACASA-N 252.318 0.601 0 50 CCAA O=C(CN1CCC[C@H](O)C1)NCCCOC1CCCC1 534657467 KDIFFPPDRIAWIS-ZDUSSCGKSA-N 284.400 0.909 0 50 CCAA O=C(NCCCN1CCC(O)CC1)c1cncc(F)c1 268302783 YKZAJZTYCJGCRV-UHFFFAOYSA-N 281.331 0.797 0 50 CCAA CSCCN1CCN(C(=O)[C@@H](O)C(C)C)CC1 824901239 DYILLXFOUDDDMO-NSHDSACASA-N 260.403 0.511 0 50 CCAA Cc1cc(C)n(CCNC(=O)c2ncccc2O)c(=O)n1 825132025 LQSNCGIZSUEENF-UHFFFAOYSA-N 288.307 0.391 0 50 CCAA CCCOc1ccc(CN2CC[C@H](O)[C@@H](O)C2)cc1CO 584890025 HNXHQWHJNFHPAN-GJZGRUSLSA-N 295.379 0.895 0 50 CCAA COCCN1CCC[C@H](CNC(=O)c2cnc(O)[nH]2)C1 824413165 OYBTZOLHPZNPRA-SNVBAGLBSA-N 282.344 0.204 0 50 CCAA CC[C@](O)(CCCO)CNC(=O)c1nc(C)c[nH]1 584899959 TYOMASHTOWIVTL-LBPRGKRZSA-N 255.318 0.362 0 50 CCAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2cnn[nH]2)n1 584894546 YXPBEBXOTANPJG-UHFFFAOYSA-N 286.217 0.852 0 50 CCAA Cn1c(CO)nnc1C1CCN(CC[C@@H]2CCOC2)CC1 670452337 UIVKAOWSUPLSCS-GFCCVEGCSA-N 294.399 0.913 0 50 CCAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)c1nnnn1C 1363040444 MAOJILYDOKRDDK-KPXOXKRLSA-N 287.323 0.897 0 50 CCAA CN1CC(=O)N(CC(=O)N2C[C@H]3CCC[C@H](C3)C2)C1=O 952973535 UHKWUSURFTZVPE-PHIMTYICSA-N 279.340 0.529 0 50 CCAA CCc1c(C)nn(CC(=O)N[C@H]2CCOC[C@@H]2OC)c1C 1565511363 TWHQAQMLVPNCCN-KBPBESRZSA-N 295.383 0.982 0 50 CCAA CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1ncc(F)cn1 269530717 YOPLZXDUVMQAKC-SCZZXKLOSA-N 288.348 0.746 0 50 CCAA C[C@H]1C[C@H](NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)C(=O)O1 408521025 FVGBAVCHISJKAZ-LPEHRKFASA-N 298.339 0.816 0 50 CCAA CN1CC[C@@H](n2cc(C3(O)CCCCC3)nn2)C1=O 585091536 WBVQUAPEYBMXAM-SNVBAGLBSA-N 264.329 0.833 0 50 CCAA C=CC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)CC)C1 731881464 DGEXZXXLOSEFRW-LLVKDONJSA-N 281.356 0.053 0 50 CCAA CC[C@@H]1C(=O)NCCN1C[C@H](OC)C1CCOCC1 585116921 MKLHGQWUQGGDDS-OLZOCXBDSA-N 270.373 0.638 0 50 CCAA C[C@H]1OCC[C@@H]1C(=O)N1CCC(n2cnnc2O)CC1 551930451 QGDSYAFQYYFZKN-KOLCDFICSA-N 280.328 0.572 0 50 CCAA C[C@H]1CN(Cc2cccc3c2CCOC3)C[C@@H](C(N)=O)O1 639890021 MVTOICNRRVEYDE-NHYWBVRUSA-N 290.363 0.834 0 50 CCAA CCN(CC(F)(F)F)C(=O)CN1CCCC[C@@H](O)C1=O 644337418 IFZCAADZGPNDPX-SECBINFHSA-N 296.289 0.771 0 50 CCAA COC(=O)c1ccc(B(O)OC(C)(C)C(C)(C)O)cc1O 200323702 OSIBAQREKIHDRR-UHFFFAOYSA-N 296.128 0.432 0 50 CCAA O=C(CCC(=O)N1C[C@@H](O)[C@H](F)C1)Nc1cccc(O)c1 1506419703 IZNUUUDORLRVDZ-VXGBXAGGSA-N 296.298 0.652 0 50 CCAA Cc1c[nH]ccc1=NCCNc1nc(N)c2cnn(C)c2n1 1529125956 DKQJKRBHCWZAJN-UHFFFAOYSA-N 298.354 0.595 0 50 CCAA COCCN1CC[C@H](CN(C)Cc2nnc(C)o2)C1 1529127020 XPEZUUQLOOKYCS-GFCCVEGCSA-N 268.361 0.778 0 50 CCAA Brc1ccnc(NCCn2ncnn2)c1 1857530690 VGBDEXMEIYJHRQ-UHFFFAOYSA-N 269.106 0.943 0 50 CCAA CCCc1cnc(N2CC[C@H](O)[C@@H](C(=O)O)C2)nc1 1704342199 KKYQVQHAWZTRNK-QWRGUYRKSA-N 265.313 0.701 0 50 CCAA CCN(CC1CC1)C(=O)Cn1cc(C(=O)O)cn1 630119524 SIQSVVIXOAYRAA-UHFFFAOYSA-N 251.286 0.840 0 50 CCAA CCN(CC)S(=O)(=O)N1CCC[C@@H](C)[C@H]1CN 249815376 JAQPQDHYXKRMHT-GHMZBOCLSA-N 263.407 0.632 0 50 CCAA C[C@@H](C(=O)NCc1cccc(C(=O)O)c1)S(C)(=O)=O 135180420 ZHUFFWCHCQZLHS-QMMMGPOBSA-N 285.321 0.434 0 50 CCAA CC(=O)NCC1CCN(C[C@@H]2CCC(=O)N(C)C2)CC1 1775983984 XIAUCCATTLWUOE-CQSZACIVSA-N 281.400 0.703 0 50 CCAA CN1CC[C@@H]2CN(C(=O)Cc3cccnc3)C[C@@H]2C1=O 1775981576 AXWNOPIWUQBIKM-OLZOCXBDSA-N 273.336 0.561 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)n1 1857719040 CXIZCLRIJIRNMW-MJBXVCDLSA-N 292.383 0.478 0 50 CCAA COC(=O)[C@@H](CC(=O)O)NC(=O)OCc1ccccc1 4536018 MFFFBNAPQRDRQW-SNVBAGLBSA-N 281.264 0.929 0 50 CCAA in-vitro C[C@H]1CCN(C(=O)N2CC[C@@H](n3cc(C(N)=O)nn3)C2)C1 643734096 VQDATWVEVKSUFJ-VHSXEESVSA-N 292.343 0.086 0 50 CCAA COc1cc(CC(=O)N2CCNC(=O)C[C@H]2C)ccn1 669213247 WFSYBUCHQDRVPV-SNVBAGLBSA-N 277.324 0.370 0 50 CCAA COc1ccc(CNC(=O)CN2C[C@H](O)C3(CC3)C2)cc1 372287352 FRBVSWQTMIBGJJ-AWEZNQCLSA-N 290.363 0.768 0 50 CCAA CCCc1nc(-c2noc([C@H]3CN(C)C(=O)CN3)n2)co1 904721150 JFDRBNMKOMZZDK-MRVPVSSYSA-N 291.311 0.780 0 50 CCAA Cc1nc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)n(C)c1C 1704336154 UMRDSLPKGQLABG-OLZOCXBDSA-N 292.383 0.326 0 50 CCAA O=C(CN1CCO[C@H](C2CCC2)C1)Nc1cccnn1 930711734 JTKFBXQJWJQAQP-LBPRGKRZSA-N 276.340 0.916 0 50 CCAA Cc1ncc(CN2CCC[C@](O)(Cn3ccnn3)C2)o1 862361224 QFYZRCZMGGNTHW-CYBMUJFWSA-N 277.328 0.602 0 50 CCAA CN1CCN(Cc2ccc(O)nn2)C[C@@H]1c1ncc[nH]1 1875296942 VTSJCPNUMWXTPX-LLVKDONJSA-N 274.328 0.394 0 50 CCAA CN(C)C/C=C/C(=O)NCCN1C[C@H]2CCCCN2C1=O 1875376664 FGHXPOBXUDQYHW-VUDGCMKMSA-N 294.399 0.511 0 50 CCAA Cn1nc(O)cc1C(=O)NCc1ccc(-n2cncn2)cc1 1875319120 ZQCVTRQKRHGCDV-UHFFFAOYSA-N 298.306 0.636 0 50 CCAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)c1cc[nH]n1 886051532 UGLIHDZHEJLEMG-CMPLNLGQSA-N 275.312 0.712 0 50 CCAA O=C1NC(=O)[C@]2(CCCN(C(=O)c3ccc(Cl)o3)C2)N1 168043619 RQVAAQDHJZWGEM-GFCCVEGCSA-N 297.698 0.747 0 50 CCAA O=C(CNC(=O)c1ccccc1)NCC1=CCNCC1 189293064 BLKXHRBRLYQGGK-UHFFFAOYSA-N 273.336 0.452 0 50 CCAA Cc1nc(C)c(Br)c(NC[C@@H](O)CO)n1 306465052 ILGHHSXIAIOSBU-SSDOTTSWSA-N 276.134 0.621 0 50 CCAA Cc1noc(C)c1CN(C)C[C@@]1(O)CNCCOC1 77353787 YHGHLQOLTCFTFB-ZDUSSCGKSA-N 269.345 0.074 0 50 CCAA O=S1(=O)CCCCN1Cc1nnc2n1CCCC2 330245173 XOHSUUBHNUDGKH-UHFFFAOYSA-N 270.358 0.540 0 50 CCAA CSC(C)(C)[C@H](N)C(=O)NCc1cccnc1N 2100477889 HNLSRFNGTMDICK-SECBINFHSA-N 268.386 0.749 0 50 CCAA COC(=O)N[C@@]1(C(F)(F)F)C(=O)NC(C)=C1C(=O)OC 100229787 MDPOSPJVRRWFCU-SECBINFHSA-N 296.201 0.220 0 50 CCAA CN1CCN(C(=O)c2coc(O)n2)Cc2cccnc21 2325804426 NBDSHDOUOAPJNV-UHFFFAOYSA-N 274.280 0.867 0 50 CCAA C[C@H]1C[C@H](NC(=O)c2cccn3nccc23)C(=O)O1 879988693 HOPZWYFRLDRLAM-WPRPVWTQSA-N 259.265 0.768 0 50 CCAA CCC(=O)N1CN(C(=O)CC)CN(C(=O)CC)C1 409880 AEPJNZPJFYDQLM-UHFFFAOYSA-N 255.318 0.588 0 50 CCAA in-vitro Cn1nnnc1[C@H]1CN(c2nccc3ncccc23)CCO1 2356150264 UFKCARWRCHOPSI-GFCCVEGCSA-N 297.322 0.731 0 50 CCAA Nc1nonc1NC(=O)CSc1ncccc1C(=O)O 2584654 IBCKMCMZIIKGJZ-UHFFFAOYSA-N 295.280 0.476 0 50 CCAA CCO[C@@H]1NC(=O)NC(=O)[C@]1(C)Br 4529941 REDLIYNRQBSZJD-FSPLSTOPSA-N 251.080 0.342 0 50 CCAA Cc1ccc(NC(=O)CNC(=O)[C@H]2COCCO2)c(F)c1 67757013 USXYSWNMVPATSJ-GFCCVEGCSA-N 296.298 0.604 0 50 CCAA COc1ccc(-n2c(CN(C)C)n[nH]c2=O)c(C)c1 65403631 YATMUTMAZWGUQQ-UHFFFAOYSA-N 262.313 0.939 0 50 CCAA CCN(C(=O)Cc1ccncc1)[C@H]1CCS(=O)(=O)C1 67473246 OPIWDGUSYYLPMS-LBPRGKRZSA-N 282.365 0.660 0 50 CCAA CC(C)c1cc(C(=O)N2C[C@@H](O)C[C@H]2CO)nn1C 359553490 SDWITOPEMIWYJD-UWVGGRQHSA-N 267.329 0.111 0 50 CCAA CN1C(=O)CN(Cc2cnnn2C)[C@@H]1c1ccccc1 329785009 PSMJCHPLLFCLDB-CQSZACIVSA-N 271.324 0.788 0 50 CCAA CCOc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)CN1 150932576 TYJPOLBOUCFSBP-NEPJUHHUSA-N 264.325 0.424 0 50 CCAA Cc1cc(N)n(CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)n1 77407784 OSSMGNIGFXAQES-NSHDSACASA-N 288.355 0.903 0 50 CCAA CC[C@H]1CN(c2ncnc3c2c(C)nn3C)CCN1 72406837 PZVKDIAXNYSKAE-JTQLQIEISA-N 260.345 0.860 0 50 CCAA COC(=O)c1cc(C(=O)O)cc(N(C)S(C)(=O)=O)c1 33414766 FLJKJNQTDSNBLQ-UHFFFAOYSA-N 287.293 0.567 0 50 CCAA CN(C)[C@@H]1CCCN(C(=O)NCc2nc(C3CC3)n[nH]2)C1 333907049 VNJVIISTFKVRFI-LLVKDONJSA-N 292.387 0.918 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)CN1CCOC1=O 216030092 ZSBHQDQZNCWCJB-UHFFFAOYSA-N 266.301 0.137 0 50 CCAA NC(=O)NCC(=O)NC[C@H]1COc2ccccc2C1 41997493 NXSZSBAJVNQAEQ-VIFPVBQESA-N 263.297 0.022 0 50 CCAA CN(C)Cc1ccnc(NC(=O)[C@H]2COCCO2)c1 176932244 CXBMEPGMZXAWCV-LLVKDONJSA-N 265.313 0.497 0 50 CCAA O=C1NC(=O)[C@@H]2[C@@H]1[C@H](c1ccco1)NN2Cc1ccccc1 229982352 POQODQPYHFVSQT-IHRRRGAJSA-N 297.314 0.982 0 50 CCAA C[C@@H]1CCCC[C@@H]1N1CN=C(NS(C)(=O)=O)NC1 40387208 WADAEYJORKFURI-ZJUUUORDSA-N 274.390 0.291 0 50 CCAA CC1=CC[C@@H]2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 223537197 QRFIMCAQSZRAGN-MNOVXSKESA-N 289.335 0.502 0 50 CCAA Cc1ccc(N2CC[C@H](C(=O)N[C@H](C)C(=O)O)C2=O)cc1 237452539 BKFNADCPCYKDDB-ZYHUDNBSSA-N 290.319 0.937 0 50 CCAA CC(=O)N1CCN(C(=O)c2ncoc2C2CC2)C[C@@H](O)C1 97636683 FGCDOSLQPDJPJQ-NSHDSACASA-N 293.323 0.217 0 50 CCAA Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)c(=O)n(C)c1C 426424371 PVDPCFAWCRKNFC-AOOOYVTPSA-N 278.308 0.595 0 50 CCAA COC(=O)/C(C(N)=O)=C(\C=C\N(C)C)c1ccncc1 98041283 AQWBRKGEGIRPRG-SQXBUMSNSA-N 275.308 0.569 0 50 CCAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(CCO)C(=O)[C@H]12 239284723 BYJRWLZLNXNCIP-GHYVTOPFSA-N 285.299 0.434 0 50 CCAA COCCN(Cc1cnn(C)c1)C(=O)C1CCOCC1 97618953 INEVDFKRSRLDBE-UHFFFAOYSA-N 281.356 0.822 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](N2C(=O)N3CCC[C@@]3(C)C2=O)CC1=O 239527626 ATMXZJZGFKUAAQ-LMCGPQHNSA-N 291.351 0.812 0 50 CCAA CC(C)S(=O)(=O)CC(=O)N1CCC[C@@]1(C)C(=O)O 621576335 IPILXVZYZOFAJW-NSHDSACASA-N 277.342 0.275 0 50 CCAA O=C(NCCN1CCC[C@@H](CO)C1)c1cscn1 243893347 AQCGGGKJSYNLFN-SNVBAGLBSA-N 269.370 0.577 0 50 CCAA CC[C@H](N)C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 299752476 UFVOFQIGEOBOJB-KKUMJFAQSA-N 291.395 0.475 0 50 CCAA CN(CC(=O)NCC1(CO)CCOCC1)C1CCCC1 534658070 CNRZZEOPVLTWIR-UHFFFAOYSA-N 284.400 0.766 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCCN2CCC[C@H]2C1 827939795 SRRRILCZJJGJFW-NSHDSACASA-N 274.386 0.118 0 50 CCAA NC(=O)Cc1nc(CO)n(Cc2ccccc2Cl)n1 828836741 WWGJJWLQTWSMAL-UHFFFAOYSA-N 280.715 0.500 0 50 CCAA O=C(NCCCN1CCC[C@@H](O)C1)c1cncc(O)c1 584903277 UPNOMIFYVFPJBJ-GFCCVEGCSA-N 279.340 0.364 0 50 CCAA CC[C@H](NC(=O)CN1CCCC1=O)c1ncc(C)[nH]1 670438943 YISHKVDFFVRBLM-JTQLQIEISA-N 264.329 0.908 0 50 CCAA COCc1cc(Cn2cnc3ccncc3c2=O)[nH]n1 584895931 UKHHMWJPCCAOFU-UHFFFAOYSA-N 271.280 0.709 0 50 CCAA CC(C)n1cnnc1[C@H](C)NS(=O)(=O)N1CCCC1 670434586 YQTUINAFNLMSJV-JTQLQIEISA-N 287.389 0.850 0 50 CCAA O=C(CCCn1cnnn1)N1CCO[C@@H](C2CC2)C1 670447516 UQXQHXVVZVIDBE-LLVKDONJSA-N 265.317 0.091 0 50 CCAA CCn1nc(C)c(C(=O)N[C@H](C)c2nn(C)cc2O)n1 1456792310 NGPPZPBPTOSCHO-SSDOTTSWSA-N 278.316 0.537 0 50 CCAA OC[C@@H]1CCCN(CCNCc2nccs2)C1 952977492 XTHHZMLYMDEHLU-LLVKDONJSA-N 255.387 0.937 0 50 CCAA CN1CCC2(CC1)CN(c1cncc(C(=O)O)n1)CCO2 1598589826 HORSTFWVTXFNCX-UHFFFAOYSA-N 292.339 0.476 0 50 CCAA CCc1nccn1CCC(=O)N[C@H]1COCC[C@@H]1O 1565527364 SOZJMTGMJDMVBC-QWRGUYRKSA-N 267.329 0.102 0 50 CCAA COCN(c1ncc(Br)cn1)S(C)(=O)=O 74934342 MJPNUSBHYXBRPY-UHFFFAOYSA-N 296.146 0.609 0 50 CCAA in-vitro COc1cccc(OCC(=O)N2CCOC[C@@H]2C(=O)O)c1 268988211 RDCGOPOADIGJKM-GFCCVEGCSA-N 295.291 0.386 0 50 CCAA CC[C@@H]1C[C@@H](C(=O)N2CC[C@](C)(C(N)=O)C2)CC(=O)N1 408328372 WTFLWTKGOXIKPE-RULNRJAQSA-N 281.356 0.015 0 50 CCAA O=C(CCS(=O)(=O)CCO)Nc1ccccc1 86996374 SULZULMRXQJGST-UHFFFAOYSA-N 257.311 0.422 0 50 CCAA CCn1c(S)nnc1CCNC(=O)CSC 170623387 VGBORMFOYSCIIU-UHFFFAOYSA-N 260.388 0.608 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C)C(=O)C2)cc1 170616366 ZZKVHOYFCCQUDI-LLVKDONJSA-N 282.365 0.894 0 50 CCAA Cc1cc(NC(=O)[C@H](C)N2CC(=O)N(CC3CC3)C2)on1 279145357 YASDNEDRPXJFDQ-JTQLQIEISA-N 292.339 0.822 0 50 CCAA Cc1nnc(N2CCC[C@@H](n3cc(CO)nn3)C2)s1 579329546 WUMULTDQFBYRHR-SNVBAGLBSA-N 280.357 0.772 0 50 CCAA CNC(=O)Cn1cc(NCc2cccc(OC)n2)cn1 189431106 VOQMXRXSZGSJRI-UHFFFAOYSA-N 275.312 0.645 0 50 CCAA CN(CC1(CO)CC1)[C@H]1CCCN(c2cnn(C)c2)C1=O 190019909 KWTUWEQMLYVAKC-ZDUSSCGKSA-N 292.383 0.620 0 50 CCAA Cc1cc(N2CCN(CCN3CCO[C@@H](C)C3)CC2)n[nH]1 192840672 YTJZHPWEDDXFOU-AWEZNQCLSA-N 293.415 0.561 0 50 CCAA Cn1nccc1[C@@H](NC(=O)[C@@H]1CC12CCOCC2)C(=O)O 647771846 WOXZZLCQOASXMG-GXSJLCMTSA-N 293.323 0.479 0 50 CCAA C[C@H]1CNCCN1S(=O)(=O)Cc1cccc(F)c1 193361020 QBPOAFILBZVEPR-JTQLQIEISA-N 272.345 0.949 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2ccnc3ccncc23)C1 573152568 QENNZXSMOMKSJV-ZANVPECISA-N 272.308 0.709 0 50 CCAA CCn1cc(S(=O)(=O)N2CC(OC)C2)nc1C 408058653 LHWHAJQNJAJIOF-UHFFFAOYSA-N 259.331 0.231 0 50 CCAA Cc1nc2ccccn2c1CC(=O)N[C@H]1CCNC[C@@H]1O 216358694 CHPUUJREYBNCDR-AAEUAGOBSA-N 288.351 0.024 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CS2(=O)=O)C1 238730554 ZKCKSGZYCIBCKJ-MRVPVSSYSA-N 277.342 0.155 0 50 CCAA in-vitro Cc1cc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)nc(N)n1 1704344876 PTSAETOXMAQJEV-ZYHUDNBSSA-N 286.339 0.197 0 50 CCAA CCc1ncnc(N2C[C@@H]3CNC[C@@]3(CN(C)C)C2)c1F 1772712249 QDZGDZQCJIAYRS-XHDPSFHLSA-N 293.390 0.766 0 50 CCAA COc1cccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)n1 1875251344 AAKVXIFJYLQKQM-PWSUYJOCSA-N 277.324 0.037 0 50 CCAA CN1CCO[C@@H](C(=O)N(C)C[C@@H]2CCn3ccnc3C2)C1 328636944 VUPLKAOHZAMJAV-CHWSQXEVSA-N 292.383 0.235 0 50 CCAA Cc1cc(N2CCO[C@@H](CN(C)CC(N)=O)C2)ccn1 241588313 PBWLBELLEMTNLG-ZDUSSCGKSA-N 278.356 0.012 0 50 CCAA CCOc1cncc(N2C[C@H](C(N)=O)CC[C@H]2C)n1 253370448 RAHROYNPRCCGDY-NXEZZACHSA-N 264.329 0.966 0 50 CCAA Cc1cc(NC(=O)C[C@H](O)CN)ccc1N1CCOCC1 1218873432 IIQNVYIKSVUYQC-ZDUSSCGKSA-N 293.367 0.480 0 50 CCAA CC(C)c1nsc(CN2CC(=O)NCC23COC3)n1 931623340 WMKZNECSMHRFSW-UHFFFAOYSA-N 282.369 0.362 0 50 CCAA Cn1cc(CC(=O)N2CC[C@H](CN3CCOC3=O)C2)cn1 857515407 MASKIFQJGKDISH-NSHDSACASA-N 292.339 0.263 0 50 CCAA CC1(C(=O)NC[C@]2(C)CCCN2)CC(C(=O)O)C1 1875276703 RHIDFGPIOSUBPJ-LDUAJXOISA-N 254.330 0.746 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H]1CCO[C@@H](c2cnn(C)c2)C1 1875375651 HXOVNCZOSWYVJS-KOABKASLSA-N 292.383 0.874 0 50 CCAA CCOC(=O)c1cnn(Cc2ccn(C)c(=O)c2)n1 882208778 BCWQGICRSWVNJF-UHFFFAOYSA-N 262.269 0.202 0 50 CCAA CN1C[C@@H]2CCN(C(=O)NCc3cncn3C)[C@@H]2C1 894917070 ZBMKYKFQSVXFBH-CMPLNLGQSA-N 263.345 0.266 0 50 CCAA OCCOCCN1CCN(Cc2cccc(F)c2)CC1 22595536 ZTGTYWHUCDXFRO-UHFFFAOYSA-N 282.359 0.952 0 50 CCAA Cc1nnc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)s1 169296791 NQNCLYCHYSUUSL-NGJRWZKOSA-N 281.293 0.439 0 50 CCAA CSCC[C@@H](O)C(=O)NCCc1noc(C(C)C)n1 299775961 MOZAFPRJLZTVRK-SECBINFHSA-N 287.385 0.966 0 50 CCAA NCc1ccc(NC(=O)NCCN2CCNC2=O)cc1 96152207 IGDWRXDEMSOVIF-UHFFFAOYSA-N 277.328 0.292 0 50 CCAA COCCN(C(=O)N1CCOCC1)[C@@H]1CCOC1 408354107 HXZIDJFGKZUVCK-LLVKDONJSA-N 258.318 0.176 0 50 CCAA CC(C)c1nccc(N2CC[C@@](O)(C(N)=O)C2)n1 376998846 DWZMAMHRWDXKAO-LBPRGKRZSA-N 250.302 0.027 0 50 CCAA O=C1CCCN1CCN1CCC[C@H]2C(O)=NC[C@H]21 328824601 PSWVKBCJIFYHCS-GHMZBOCLSA-N 251.330 0.660 0 50 CCAA Cc1ccc2nc(CNC[C@@](C)(O)CC(=O)O)cn2c1 2325789818 POJMXJGJGDKGKD-AWEZNQCLSA-N 277.324 0.958 0 50 CCAA C[C@@]1(C(=O)O)CCN(C(=O)C2(C(=O)O)CCC2)C1 852943402 UWSUFVRGCNTLOO-LLVKDONJSA-N 255.270 0.565 0 50 CCAA C[C@@H]1C(=O)N(NC(=O)c2ccnc(C3CC3)n2)C(=O)N1C 899033729 ZCFJDATXEREFCN-SSDOTTSWSA-N 289.295 0.281 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@@]2(C1)NCCCNC2=O 2325712143 VQJPSLARAUSIEB-AWEZNQCLSA-N 283.372 0.866 0 50 CCAA O=C1NC(=O)c2c(NC(=O)[C@H]3CCCO3)cccc21 614265 NFJLHTYTEFGBPV-SECBINFHSA-N 260.249 0.688 0 50 CCAA COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1 1640064 POUMRJPRROOAGQ-LBPRGKRZSA-N 273.292 0.924 0 50 CCAA biogenic,in-vitro Cn1nnnc1[C@@H]1CN(c2nccc3ncccc23)CCO1 2356150265 UFKCARWRCHOPSI-LBPRGKRZSA-N 297.322 0.731 0 50 CCAA CC(C)N(C)S(=O)(=O)N1CCC[C@H](C)[C@@H]1CN 246636920 WOYCJFOERQVECA-QWRGUYRKSA-N 263.407 0.631 0 50 CCAA C[C@H](NC(=O)CCn1ccc(=O)[nH]c1=O)C1=CCCCC1 67834443 WKWYZFWGTWGMDP-NSHDSACASA-N 291.351 0.932 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2nncn2C)[C@H]1OC 252512471 QZNCYCWQIHBLOG-LMLFDSFASA-N 297.359 0.368 0 50 CCAA COc1coc(C(=O)N[C@@H](CO)C(C)(C)C)cc1=O 282181105 DHKUXFPPLAYSGP-NSHDSACASA-N 269.297 0.785 0 50 CCAA CC[C@@H]1c2cccn2CCN1C(=O)CCCS(N)(=O)=O 72440324 VYHYTZAZBUIMSO-LLVKDONJSA-N 299.396 0.850 0 50 CCAA C[C@@]1(C(=O)NCCc2nnc(N)s2)CCCO1 219217021 NTNHOIXQEHYGRD-JTQLQIEISA-N 256.331 0.348 0 50 CCAA COC(=O)[C@@H](C)N1CC(S(=O)(=O)NC2CCCC2)C1 253429077 GKELZLHOHISVNN-SECBINFHSA-N 290.385 0.094 0 50 CCAA O=C1C[C@]2(NC(=O)c3ccc(O)cn3)CCCC[C@@H]2N1 1363670885 HXXMNIIEVKZSBR-SMDDNHRTSA-N 275.308 0.718 0 50 CCAA O=C1CNC(=O)N1C[C@H]1CCCN(Cc2cccnc2)C1 370112769 QCFVAYLJCQHIMO-ZDUSSCGKSA-N 288.351 0.845 0 50 CCAA C[C@@H](C(=O)N1CCOC[C@@H]1CC(=O)O)n1cccn1 128208241 LFSYTMXCCOARPW-UWVGGRQHSA-N 267.285 0.146 0 50 CCAA Cc1ccc(N2CCC(C(=O)NCC(=O)O)CC2)nc1 237780536 NGOSMCJBSIYBTJ-UHFFFAOYSA-N 277.324 0.807 0 50 CCAA Cc1nnnn1CCCN1CC[C@]2(CCCO2)CCC1=O 72133120 ZPHUYCLXJWIUAQ-AWEZNQCLSA-N 293.371 0.933 0 50 CCAA CNC(=O)[C@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 178551249 GGHRBSZWNLRECH-KBPBESRZSA-N 289.379 0.714 0 50 CCAA O=C([C@@H]1CCCN1C(=O)c1ccccc1)N1CC(O)C1 177990586 QYZWBPJFZAKMTN-ZDUSSCGKSA-N 274.320 0.494 0 50 CCAA OCCNc1nc([C@@H]2CCOC2)cc(N2CCCCC2)n1 426438942 VFJILVUNJLYRIV-GFCCVEGCSA-N 292.383 1.375 0 50 CCAA COCC1(C(=O)NCCCN2CCC(O)CC2)CCC1 339952397 UEMYJGFQKHTHJY-UHFFFAOYSA-N 284.400 0.766 0 50 CCAA CN(C)CCN1C[C@H](C(=O)N(C)Cc2ccon2)CC1=O 95380911 ZEFNSNNEDGKTDG-LLVKDONJSA-N 294.355 0.043 0 50 CCAA CCc1nnc(CNC(=O)CN2CCN(C)C2=O)s1 426397326 CCLFNARVCRMELQ-UHFFFAOYSA-N 283.357 0.084 0 50 CCAA Cc1cc(CNC(=O)c2cnc(N(C)C)nc2C)n(C)n1 97360088 PFGGPRJVQBSEKZ-UHFFFAOYSA-N 288.355 0.823 0 50 CCAA COc1ccc(-c2c(C)nn3c(=O)[nH]ncc23)c(OC)n1 96162260 YJGYKXORHRNSFJ-UHFFFAOYSA-N 287.279 0.805 0 50 CCAA Cn1cnc2ccc(NC3=CC(=O)NC3)cc2c1=O 524732468 GVAXZEANTHYLJB-UHFFFAOYSA-N 256.265 0.359 0 50 CCAA C[C@@H](Nc1ccc2c(c1)OCC(=O)N2C)C(=O)NC(N)=O 541861152 QMIMFUQZBADWMK-SSDOTTSWSA-N 292.295 0.037 0 50 CCAA CN(C)CCN1CC(=O)Nc2cccc(F)c2C1=O 534656094 FAMCCQZLVKGZRY-UHFFFAOYSA-N 265.288 0.782 0 50 CCAA Nc1ncc(C(=O)NCCCN2CCCC[C@@H]2CO)s1 584903917 OPHNZDJYHRNNHD-SNVBAGLBSA-N 298.412 0.692 0 50 CCAA Cc1nc(N)ncc1C(=O)NC1(C(N)=O)CCCCCC1 584900777 IGCSTTIAGAQPBL-UHFFFAOYSA-N 291.355 0.675 0 50 CCAA N[C@H]1COC[C@H]1Oc1cnn(Cc2ccon2)c1 685942364 JOJNKBXLLWZBJU-WDEREUQCSA-N 250.258 0.024 0 50 CCAA CC(C)[C@H]1C=CCN1C(=O)[C@@H]1CCCN(CC(N)=O)C1 952869477 LJSJMRORFIPRHS-CHWSQXEVSA-N 279.384 0.607 0 50 CCAA CC[C@H](C(=O)O)N(C)C(=O)/C=C/c1cnc(N(C)C)nc1 952972929 JLXANGBDRWPLHS-XUIVZRPNSA-N 292.339 0.877 0 50 CCAA Cc1nsc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 301441851 WAFONEQHFGVGOX-LLVKDONJSA-N 295.412 0.589 0 50 CCAA O=S1(=O)CC[C@H](N2CCN(c3ncccc3F)CC2)C1 269263267 AXXZEJHEDANLRA-NSHDSACASA-N 299.371 0.530 0 50 CCAA C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@H]1CCC(=O)N1 170934176 HUMQFIHXLLZRTI-IJLUTSLNSA-N 268.357 0.977 0 50 CCAA CN(C(=O)N=c1cc[nH]cc1F)[C@H]1CCS(=O)(=O)C1 408216902 KAPKPEMRXGEFKX-QMMMGPOBSA-N 287.316 0.293 0 50 CCAA CC[C@H](N)CNC(=O)NC[C@@H]1Cc2ccccc2CN1 892143865 GRAJJWHYYOYMHO-KBPBESRZSA-N 276.384 0.737 0 50 CCAA CC[C@]1(O)CCCN(C(=O)CN2CCCC2=O)C1 584890826 DXEFOZLIJVCQKU-ZDUSSCGKSA-N 254.330 0.372 0 50 CCAA Cn1[nH]c(=NC(=O)CSC[C@@H]2CCCCO2)ccc1=O 585125329 NZDALVRJZKMLEU-JTQLQIEISA-N 297.380 0.443 0 50 CCAA CCO[C@@H]1C[C@](CO)(NC(=O)c2cc[nH]n2)C1(C)C 188873913 IXJCQLQJMIUGLT-ZWNOBZJWSA-N 267.329 0.706 0 50 CCAA CC[C@H](C(=O)O)N1CCN(c2ncccc2C(N)=O)CC1 191428414 CVVHRNFIRMSDCR-LLVKDONJSA-N 292.339 0.166 0 50 CCAA NC[C@H](NC(=O)[C@H]1CNCCO1)c1ccc2ccccc2c1 193406288 NKQWGUIULYSPNU-JKSUJKDBSA-N 299.374 0.944 0 50 CCAA O=S1(=O)CC[C@](O)(CNC2C3CC4CC(C3)CC2C4)C1 651391868 KYSUSRNYWIECNV-FFSGTFEZSA-N 299.436 0.950 0 50 CCAA CNS(=O)(=O)CCNc1cc(C2CC2)ncn1 91625675 AEVBRLCSHGETIV-UHFFFAOYSA-N 256.331 0.315 0 50 CCAA COc1nn(C)cc1CNC(=O)[C@H]1C[C@@H]2[C@H](N)C[C@H]2C1 1615554535 LQKZPMCYDJNMQJ-PKZYVASSSA-N 278.356 0.418 0 50 CCAA CCNC(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 1616034196 HQPDOHFBWOAOMS-LLVKDONJSA-N 266.345 0.943 0 50 CCAA CN(C1CCC1)S(=O)(=O)N1CCc2ccnc(O)c2C1 1875367583 SAGYDQUKSJQIDS-UHFFFAOYSA-N 297.380 0.874 0 50 CCAA C=CC(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 1338394586 MTNICFURUVGIMU-UHFFFAOYSA-N 289.353 0.141 0 50 CCAA Cc1cc(=O)n(CCN(C)Cc2ccoc2)c(O)n1 1506405906 DKEMQDZTINYNNN-UHFFFAOYSA-N 263.297 0.982 0 50 CCAA O=C1CO[C@H](C(=O)N2CCOCC2)[C@@H](c2ccccc2)N1 1529168245 YMHCIXDNQUSXMT-KGLIPLIRSA-N 290.319 0.102 0 50 CCAA COCCn1cnnc1[C@H](C)Nc1cc(OC)nc(N)n1 1529133832 CODSZOCENDEOKN-QMMMGPOBSA-N 293.331 0.478 0 50 CCAA CN(C)c1nc(NCc2nnc3n2CCC3)ncc1F 1704308970 UHWWLXFKTXNRJL-UHFFFAOYSA-N 277.307 0.832 0 50 CCAA CCOC(=O)CNC(=O)CSc1cccc(C(=O)O)n1 5952801 RGOBZDVGDJELLK-UHFFFAOYSA-N 298.320 0.551 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)c1cccc3cc[nH]c13)C2 1857718090 NHZHYZXCKLGCCH-NEPJUHHUSA-N 299.330 0.755 0 50 CCAA CNC[C@@H]1CCN(C(=O)c2ccc3c(c2)nc(O)n3C)C1 521394626 QJWAHRMQEGAKLC-JTQLQIEISA-N 288.351 0.960 0 50 CCAA C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)O)CC2)C1 237522661 OGSOVLMYLBBFSE-QWHCGFSZSA-N 297.399 0.384 0 50 CCAA CN1CC[C@]2(CCN(C(=O)NCCn3cccn3)C2)C1 576922566 JJOKWHYIDODWAS-AWEZNQCLSA-N 277.372 0.620 0 50 CCAA CN(CCNC(=O)c1cnns1)c1ccccn1 1875282659 NTGXSSNJEJPVAX-UHFFFAOYSA-N 263.326 0.799 0 50 CCAA CO[C@H]1CCC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1875264522 MBSXYHXTTHSFQQ-MNOVXSKESA-N 295.339 0.001 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cnnn3C)n[nH]c21 1875395290 VQUJIZDIGHAYQQ-SFYZADRCSA-N 290.327 0.490 0 50 CCAA O=C(NC[C@H]1CCCO1)N1CC(n2ccnn2)C1 888093255 WWPCKSCHGLVSIJ-SNVBAGLBSA-N 251.290 0.023 0 50 CCAA C[C@@H]1CO[C@H](CO)CN1C(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 253618293 VFUGLSXGBAAZCJ-JIMTYQMOSA-N 265.353 0.887 0 50 CCAA Cc1nc(CN2CCS(=O)(=O)[C@H](C)C2)oc1C 155566535 NVPKHXQPTAGFLX-MRVPVSSYSA-N 258.343 0.910 0 50 CCAA O=C(NCC[C@@H]1CCCN1)c1ccn2cnnc2c1 97499445 WUMVNNLGZZJCKH-NSHDSACASA-N 259.313 0.601 0 50 CCAA C[C@H]1CNCCN1S(=O)(=O)c1ncn(C)c1Cl 193359816 ORDMSTVYAMEVEX-ZETCQYMHSA-N 278.765 0.056 0 50 CCAA C[C@H](CS(C)(=O)=O)N1CCC2(CCNCC2)C1 426388097 ALYINELCFRBTHS-LLVKDONJSA-N 260.403 0.495 0 50 CCAA CC(C)n1ccc(C(=O)Nc2cnn(CC(=O)O)c2)n1 647744813 LCWOGKLZQKYIGK-UHFFFAOYSA-N 277.284 0.997 0 50 CCAA CC(C)=CCCc1nc(CC(N)=O)nn1-c1cnn(C)c1 2100555562 XCCGMLKBIGMJKH-UHFFFAOYSA-N 288.355 0.927 0 50 CCAA Cc1cn2c(n1)CC[C@@H](NC(=O)N1C[C@@H]3C[C@H]1CO3)C2 2325764744 SLVQTDXFRFZQER-WOPDTQHZSA-N 276.340 0.689 0 50 CCAA CC1(C)C[C@@H](CC(N)=O)N(c2ncnc3[nH]cnc23)C1 2325854144 PUKPXWCOYJVFGM-MRVPVSSYSA-N 274.328 0.833 0 50 CCAA COC(=O)[C@@]12COC[C@@H]1CN(c1ncccc1C(=O)O)C2 2356151586 OUEXLAZXQUZNAQ-XPTSAGLGSA-N 292.291 0.406 0 50 CCAA O=C1N(CCO)CCC[C@]12CCCN2Cc1cncnc1 2356164300 NVXJKIRSBMZMGG-HNNXBMFYSA-N 290.367 0.426 0 50 CCAA CS(=O)(=O)CCN1C(=O)CN(Cc2ccccc2)C1=O 225455812 CEUXQLWEIXLCAN-UHFFFAOYSA-N 296.348 0.495 0 50 CCAA CCC1=NO[C@H](Cn2ncc(N3CCOCC3)cc2=O)C1 23129295 HMONUIKWKHRPNM-ZDUSSCGKSA-N 292.339 0.635 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1cccc(OC)c1 65370834 LZOABDHPJQNWKR-WCQYABFASA-N 293.319 0.834 0 50 CCAA CC(C)Oc1cc(N2CCC[C@@H](O)C2)nc(N)n1 65373399 TXANHFUENDJXSH-SECBINFHSA-N 252.318 0.807 0 50 CCAA C[C@H](O)C(=O)NCCCNC(=O)c1ccccc1 252540392 PISDJTWRQFMCCK-JTQLQIEISA-N 250.298 0.304 0 50 CCAA COc1cccc([C@H](C)C(=O)N[C@@H]2CNC(=O)C2)c1 330895978 SIXAMKZOIGKLFL-ONGXEEELSA-N 262.309 0.803 0 50 CCAA O=C(Cc1ccc(CO)cc1)NC[C@]1(O)CCCNCC1 72142079 GMLRRPGJPHKJSS-INIZCTEOSA-N 292.379 0.342 0 50 CCAA O=C(NCCNC[C@]1(O)CCNC1)c1ccccc1Cl 77454410 BHQLQEKIVUCZIQ-AWEZNQCLSA-N 297.786 0.384 0 50 CCAA COC[C@H](C)CC(=O)Nc1ccc(-n2nnnc2O)cc1 356971755 DDDAETTUCWSYLL-SECBINFHSA-N 291.311 0.979 0 50 CCAA CC(=O)NC(C)(C)c1noc(Cn2cc(C)cn2)n1 332689741 VFTFBSUAUURRAV-UHFFFAOYSA-N 263.301 0.994 0 50 CCAA O=C(Cn1cccnc1=O)NC[C@H]1COc2ccccc2C1 32766231 YWTSPVXOIXATKK-LBPRGKRZSA-N 299.330 0.611 0 50 CCAA CSCC[C@H](O)C(=O)NCc1cccnc1N 219439641 GXWBCYQTMKKFLP-VIFPVBQESA-N 255.343 0.394 0 50 CCAA Nc1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3)cn1 215733950 YTYZYRRZRSWHTO-MNOVXSKESA-N 274.324 0.405 0 50 CCAA O=C(O)Cn1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)n1 178223720 DFKPWVODOVBBIN-NSHDSACASA-N 287.275 0.910 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)N1CCNC(=O)CC1 426728129 BREUNHOGVSRBQW-MRVPVSSYSA-N 279.344 0.619 0 50 CCAA COc1ccc2c(c1)OC[C@@H](CNS(C)(=O)=O)C2 91305974 DQWRJORNMHKXCM-SECBINFHSA-N 271.338 0.796 0 50 CCAA O=C(Cn1cccnc1=O)NC[C@H]1CCc2ccccc2O1 97756546 WBYCDEDWLAWVFV-CYBMUJFWSA-N 299.330 0.753 0 50 CCAA CC(=O)NCCNC(=O)[C@H](c1ccc(F)cc1)N(C)C 95364503 BCPJVNVFUCGFAM-ZDUSSCGKSA-N 281.331 0.681 0 50 CCAA CCc1ncc(C(=O)NCCn2nc(C)nc2C)cn1 95373895 ZZTZXQIIIVPDLC-UHFFFAOYSA-N 274.328 0.677 0 50 CCAA CCC[C@@H]1CN(Cc2cnc(N)nc2)C[C@H]1C(=O)O 91952338 JGJJEIKFGHZJDP-GHMZBOCLSA-N 264.329 0.992 0 50 CCAA NC(=O)NCC(=O)NCCCc1ccccc1F 345702943 UMCBEPWLBNIFFQ-UHFFFAOYSA-N 253.277 0.543 0 50 CCAA CC(C)CCO[C@H](C)C(=O)N1CCOC[C@H]1C(=O)O 299747351 CTEWCUCKKIVHKZ-MNOVXSKESA-N 273.329 0.750 0 50 CCAA Cc1nccn1CCCCN1CCC([C@@H](O)C(N)=O)CC1 299744097 QWGZYFOSNYGDAD-CQSZACIVSA-N 294.399 0.530 0 50 CCAA C[S@@](=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)O)cc1 299751225 PZNQMZIUFBAXBM-BIBXISHDSA-N 297.332 0.350 0 50 CCAA Cc1cnn([C@@H](C)CNC(=O)CN2CCN(C)C2=O)c1 534592734 RJXODJPZNQQKPJ-NSHDSACASA-N 279.344 0.236 0 50 CCAA CCn1nccc1S(=O)(=O)N1CC[C@@H](N)C[C@H]1C 534662684 ZENYLMCPDSLQNR-NXEZZACHSA-N 272.374 0.403 0 50 CCAA Cc1ccncc1C(=O)N1CCN(CC(=O)O)C(=O)[C@H]1C 534658108 WFOLQAHXFUJBLW-SNVBAGLBSA-N 291.307 0.148 0 50 CCAA CCc1[nH]nc(C(=O)N[C@H]2CN(CC)C[C@@H]2OC)c1C 534631854 UQSWHTDDBNKQSS-RYUDHWBXSA-N 280.372 0.729 0 50 CCAA OC1CCN(C2CCN(Cc3ncon3)CC2)CC1 299759253 DPUXLFWFFRDUNX-UHFFFAOYSA-N 266.345 0.491 0 50 CCAA CN(C)CCN(C)C1CCN(C(=O)c2nccn2C)CC1 823692163 IHPANGCSSSZDKG-UHFFFAOYSA-N 293.415 0.518 0 50 CCAA N=c1nn[nH]n1CC(=O)NC1(c2cc(F)cc(F)c2)CC1 584891881 GIUMYOUHCHDRNK-UHFFFAOYSA-N 294.265 0.169 0 50 CCAA COC[C@@H]1CCCN1S(=O)(=O)N(C)CCC(C)(C)O 824370933 DKSYSAXFRXRVBT-NSHDSACASA-N 294.417 0.435 0 50 CCAA CC[C@@H](NC(=O)N(C)CCC(=O)NC)c1nc(C)no1 584894920 FAIHMPGANSPKFG-SECBINFHSA-N 283.332 0.607 0 50 CCAA CN1C[C@H](CNC(=O)c2cncc(F)c2)CC1=O 584897880 NDCLGFGKZLEZER-QMMMGPOBSA-N 251.261 0.429 0 50 CCAA Cc1cccc(NC(=O)CCNC(=O)[C@H]2CCN2)c1 670455282 DJEUTFOCQCYIOI-GFCCVEGCSA-N 261.325 0.802 0 50 CCAA CCN1C[C@H](CN(C)CCn2cnnc2)CC1=O 670439344 PVUJHECXEFMYAU-NSHDSACASA-N 251.334 0.078 0 50 CCAA CC(=O)NCCC1CCN(C[C@H]2COCCO2)CC1 670440160 NUTRXVRFVLOTJU-AWEZNQCLSA-N 270.373 0.640 0 50 CCAA O=C(NCC1CCN(C(=O)CCO)CC1)C1CCCC1 952963779 KGZIXIZNXXFIST-UHFFFAOYSA-N 282.384 0.914 0 50 CCAA CCC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(N)=O)cc1 1565511513 SAGPFRYBMFVIOS-STQMWFEESA-N 292.335 0.848 0 50 CCAA OC[C@H]1CN(C2CSCCSC2)C[C@@H]1CO 1565510760 GVUWEQGWMOWRPU-NXEZZACHSA-N 263.428 0.368 0 50 CCAA C[C@H](O)CN1CCN(S(=O)(=O)C2(C)CC2)C[C@H]1C 408461116 TYXREEKHHHIFJZ-MNOVXSKESA-N 276.402 0.256 0 50 CCAA CN1CC[C@H]2CN(C(=O)[C@H]3CCCCC(=O)N3)C[C@H]2C1 408522483 JUBVRNHDQKPJQF-YNEHKIRRSA-N 279.384 0.455 0 50 CCAA CS(=O)(=O)NCCN1CCc2ccccc2C1 170599821 XWQHEVJCSKLUMN-UHFFFAOYSA-N 254.355 0.594 0 50 CCAA COC(=O)C1(CNC(=O)c2cccnc2O)CCOCC1 272977076 DBBKHNNJNHEMPB-UHFFFAOYSA-N 294.307 0.487 0 50 CCAA c1nc(N2CCOCC2)cc(N2CC[C@@]3(CCOC3)C2)n1 170614721 JMRVWFUHFHEKQZ-OAHLLOKOSA-N 290.367 0.930 0 50 CCAA COC(=O)N1CCC[C@@H](NC(=O)c2ccc(C=O)[nH]2)C1 170653974 GDLSMYNXCQBIDI-SECBINFHSA-N 279.296 0.788 0 50 CCAA CO[C@@H]1CN(C(=O)c2nc[nH]c3nccc2-3)[C@@](C)(CN)C1 630378466 WKSIQEPCDLUSNK-LKFCYVNXSA-N 289.339 0.488 0 50 CCAA Cn1ncc(C(=O)N2CCO[C@@]3(CCOC3)C2)c1C1CC1 274491397 STXPLYUOHNNNHD-HNNXBMFYSA-N 291.351 0.929 0 50 CCAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccnn2C)cn1 275404458 SJDKDHLCTBPJOO-WCQYABFASA-N 289.339 0.897 0 50 CCAA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccon2)C1 276345836 HKOTVYCGBIVLKW-GFCCVEGCSA-N 279.340 0.857 0 50 CCAA C[C@H](O)CCNC(=O)[C@@H]1COc2ccc(O)cc2O1 631373528 YWYSOIMHRJEFIP-UFBFGSQYSA-N 267.281 0.419 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)CC(C)(F)F)C1 644035562 RVSZXXGMDWMFCI-LBPRGKRZSA-N 278.299 0.521 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc[nH]c1C 644058677 IVMZXSKNLBHBJF-CYBMUJFWSA-N 265.313 0.430 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)NCCc1ccco1 644273569 VCHPOMDFVIWKOP-LBPRGKRZSA-N 280.324 0.312 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CC[C@@H](C)C1 647293331 AYJXFRODQJNHPX-VWYCJHECSA-N 279.381 0.205 0 50 CCAA CO[C@@H]1C[C@H](N(C)Cc2nc(O)n[nH]2)C12CCC2 650185951 WIQKWJOXFJNSLC-DTWKUNHWSA-N 252.318 0.900 0 50 CCAA COC(=O)c1oc(S(=O)(=O)NC[C@@H](C)N)cc1C 595107067 DHJFACHKKPUNBD-SSDOTTSWSA-N 276.314 0.000 0 50 CCAA O=C(O)[C@H]1CC[C@@H](C(=O)NCCc2cc[nH]n2)C1 714303603 VBAIZOSUTXVCNR-BDAKNGLRSA-N 251.286 0.569 0 50 CCAA Cc1cnc(C)c(N2C[C@H](C)N(CCO)[C@H](C)C2)n1 578025051 GQDOMWVDWQHFGL-TXEJJXNPSA-N 264.373 0.985 0 50 CCAA O=C(N[C@@H]1CC12CCOCC2)c1ccc2c(c1)COB2O 584997875 MNWVPTJJRPWYQW-CYBMUJFWSA-N 287.124 0.203 0 50 CCAA C=CC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 791311322 XDWYYXHRMLSTDD-UHFFFAOYSA-N 278.312 0.252 0 50 CCAA O=C(CC[C@@H]1CCNC1)N1CCc2c(O)ncnc2C1 1875330305 WRRJNFNFRZUANK-SNVBAGLBSA-N 276.340 0.457 0 50 CCAA CCCn1nc(C)c(NC(=O)CNC(C)=O)c1C 1506411701 UIQRGCCCYMSRFL-UHFFFAOYSA-N 252.318 0.985 0 50 CCAA CCN(CCN1CCCC1)C(=O)C1(O)CCN(C)CC1 1506404401 DBKBXRWJRSKAQU-UHFFFAOYSA-N 283.416 0.387 0 50 CCAA CCN1CC[C@H](Nc2nc(N)c3cnn(C)c3n2)C1 1506410402 TWQMRLLSNBGRLL-QMMMGPOBSA-N 261.333 0.452 0 50 CCAA CN(C)C[C@@]1(CO)CCCN(CCc2nccn2C)C1 1506425744 DESYZQPFCJVXJG-HNNXBMFYSA-N 280.416 0.599 0 50 CCAA CN1CCC(O)(C(=O)N(C)C[C@@]2(C)CCN(C)C2)CC1 1506427705 MMLUZAOXQBHTLZ-AWEZNQCLSA-N 283.416 0.243 0 50 CCAA COCC1(CNC(=O)[C@@H]2CCc3ncnn3C2)CCC1 1857741055 AKBXEFCFSCAGGT-LLVKDONJSA-N 278.356 0.773 0 50 CCAA O=C(c1cncc(N[C@H]2CCOC2)n1)N1CCCC1 1529171776 BDAOCSGFLKFGEW-JTQLQIEISA-N 262.313 0.913 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCN(C(C)=O)CC1 336600276 RNIORJWCPHMJJL-QWHCGFSZSA-N 268.357 0.882 0 50 CCAA CC(C)OCCCC(=O)N1CCOC[C@H]1CC(=O)O 263284432 KIMDUBLIFGOWDA-LLVKDONJSA-N 273.329 0.894 0 50 CCAA CS(=O)(=O)c1ccc(N2CCOCC2)cc1N 15443368 XILNKFRGKRUSEH-UHFFFAOYSA-N 256.327 0.509 0 50 CCAA Cc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1CCO 18240793 XAKLOEQMNBAQLY-UHFFFAOYSA-N 285.303 0.850 0 50 CCAA CCn1ncc(C(=O)NC)c1NC(=O)Cc1ccccn1 1875248867 UIFPMGCXSNKQHW-UHFFFAOYSA-N 287.323 0.839 0 50 CCAA NC[C@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)CCO1 111184194 VCIBECYRKVTFEG-WCQYABFASA-N 276.336 0.739 0 50 CCAA C[C@@H](NC(=O)CSc1nncn1N)c1ccccc1 5012118 FNJVAQMWGCVJGW-SECBINFHSA-N 277.353 0.961 0 50 CCAA NC(=O)c1ccc(C(=O)NCCOC(=O)C2CC2)cc1 328589969 PLGCRCXKRJNCNW-UHFFFAOYSA-N 276.292 0.469 0 50 CCAA Cc1c(C(=O)N2CCC[C@@H](n3ccnn3)C2)cnn1C 331839053 OZWWBMPVJIFUJE-LLVKDONJSA-N 274.328 0.797 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@H](C)C1(OC)CCOCC1 911207675 KEYHHUVUZBRUAK-GFCCVEGCSA-N 298.383 0.721 0 50 CCAA Cc1ncc(C(=O)N2CCC(NCC3CC3)CC2)c(N)n1 911840175 HEUSXCAKPLBHCB-UHFFFAOYSA-N 289.383 0.971 0 50 CCAA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)c1cnccn1 952889626 CUIYXLMPXSTSNC-NXEZZACHSA-N 260.301 0.604 0 50 CCAA NC[C@@H]1C[C@@H]2CCC[C@@H]2N1S(=O)(=O)N1CC=CCC1 1875317945 HCDLUPQWFAOQKC-AVGNSLFASA-N 285.413 0.695 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCC(C[C@H](C)O)CC2)C1 1875387268 YQKWJFAYTFNJMR-NSHDSACASA-N 280.368 0.640 0 50 CCAA COCc1nccc(N2CCCN(CCO)CC2)n1 892338025 KRFUOWGCEWGRIQ-UHFFFAOYSA-N 266.345 0.127 0 50 CCAA O=S(=O)(c1cncc(F)c1)N1CC[C@@H]2CNC[C@@H]2C1 261608312 RVDCAIGAQXLOMI-NXEZZACHSA-N 285.344 0.451 0 50 CCAA COC(=O)c1ccc(N2C[C@@H](C(=O)O)C[C@@H](C)C2)nn1 263203039 MQCSKDHQESOZMC-BDAKNGLRSA-N 279.296 0.810 0 50 CCAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1cccn(C)c1=O 269193698 RXJRGFVUDHOFKX-ZYHUDNBSSA-N 263.341 0.727 0 50 CCAA CCc1occc1C(=O)N1CCC[C@](O)(C(N)=O)C1 285463517 KCWXEWXRQYKYHV-CYBMUJFWSA-N 266.297 0.294 0 50 CCAA CCn1ncc(CN[C@H](C)CS(C)(=O)=O)c1C 534637119 CMDKXAUIFUBALM-SECBINFHSA-N 259.375 0.734 0 50 CCAA CCC[C@H](C(=O)O)N1CCN(c2cnccn2)CC1 574091590 IVVASJRHUMDMFR-LLVKDONJSA-N 264.329 0.852 0 50 CCAA NC1(CC(=O)NS(=O)(=O)c2ccc(F)cc2)CC1 2325777754 AVNSJAUVDWZYNN-UHFFFAOYSA-N 272.301 0.512 0 50 CCAA Cc1c(=O)n(OCc2ccccn2)c2ccccc2[n+]1[O-] 619403 USUHRPAJSWNTRE-UHFFFAOYSA-N 283.287 0.967 0 50 CCAA CN(C1CCCCC1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 1133344 YBLZTKIPHRZLLU-LLVKDONJSA-N 295.426 0.768 0 50 CCAA CCOC(=O)[C@@H](C(C)=O)[C@H](C(C)=O)C(=O)OCC 1866987 GJEDSIHWCPPJFN-UWVGGRQHSA-N 258.270 0.523 0 50 CCAA COC(=O)c1c(NC(=O)C(N)=O)sc2c1CCC2 4858118 ZYCIXQSVGIRCSQ-UHFFFAOYSA-N 268.294 0.447 0 50 CCAA COc1cncc(S(=O)(=O)NC[C@]2(C)CCC(=O)N2)c1 416501712 MNWCVJYFHHTDDB-LBPRGKRZSA-N 299.352 0.037 0 50 CCAA O=C1CC[C@H](NC(=O)c2ccn(-c3ccccc3)n2)C(=O)N1 174272471 TURACWJWFHSDMI-NSHDSACASA-N 298.302 0.407 0 50 CCAA C[C@H](NC(=O)[C@H](C)N1CCNC(=O)C1)[C@@H]1C[C@H]2CC[C@H]1C2 249501549 AMJBXTRYCBSRKL-PEDHHIEDSA-N 293.411 0.748 0 50 CCAA O[C@@H](CN1CCO[C@@H](Cn2cncn2)C1)c1ccccc1 229552493 CFNHCENOJSWHIG-CABCVRRESA-N 288.351 0.713 0 50 CCAA COC(=O)CN(C)CCNC(=O)c1ccoc1Cl 253429845 DJVJGPVTOQKYCJ-UHFFFAOYSA-N 274.704 0.768 0 50 CCAA Cc1nnc(CN(C)C(=O)Cn2nc(C)c(C)cc2=O)o1 219191017 MJPAVDHTRJWLHZ-UHFFFAOYSA-N 291.311 0.210 0 50 CCAA CCN1CCNC(=O)[C@@H]1CC(=O)OCc1ccccc1 35826278 RVRGECYUBNFLMX-ZDUSSCGKSA-N 276.336 0.940 0 50 CCAA CN(C)c1nc2c(c(N3CCOC[C@H](O)C3)n1)CCCC2 77553437 QZASAUUIOFWWED-LLVKDONJSA-N 292.383 0.619 0 50 CCAA CN1CCO[C@H](CN(CC(=N)O)C(=O)C2CC=CC2)C1 328638557 PDUWRLQUAGQDEZ-LBPRGKRZSA-N 281.356 0.647 0 50 CCAA COC[C@@H](O)CN1CCC[C@H]1CN(C(C)=O)C1CC1 328655021 XYUQNUBCOGLTAI-KBPBESRZSA-N 270.373 0.469 0 50 CCAA CCn1cc(S(=O)(=O)N(CCO)CC(F)F)cn1 331100985 OPHMTNAEPIMZDE-UHFFFAOYSA-N 283.300 0.151 0 50 CCAA CC[C@H](CNS(C)(=O)=O)N[C@H]1CCNCC[C@H]1C 331843883 GXBDBNMZBRFNSX-UTUOFQBUSA-N 277.434 0.292 0 50 CCAA CC(=O)c1cc(CC(=O)N2CCOC[C@@H](O)C2)cs1 77375956 DJASLJWXOITNCX-NSHDSACASA-N 283.349 0.713 0 50 CCAA c1nc(N2CCC[C@@H]2Cn2cncn2)c2nc[nH]c2n1 370820982 NAWPXMHIGNVVIC-SECBINFHSA-N 270.300 0.613 0 50 CCAA CN1C(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H]3O)cc2C1=O 132229146 IYTJJSKXMGMAFN-VXGBXAGGSA-N 288.303 0.556 0 50 CCAA CN1C(=O)N(C)C2(CCN(Cc3ncc[nH]3)CC2)C1=O 216243362 RQNSNNICMPYFRZ-UHFFFAOYSA-N 277.328 0.268 0 50 CCAA COc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)ccc1F 262814435 UULLNCKAUVZBOO-UHFFFAOYSA-N 297.282 0.886 0 50 CCAA Cc1noc([C@H]2CN(Cc3ccc(CO)o3)CCN2C)n1 285660183 YKPLAYINMSVFKJ-CYBMUJFWSA-N 292.339 0.952 0 50 CCAA Cc1cnc(CCNC(=O)N[C@@H]2CCCN(C)C2=O)cn1 528005109 RZLJEYXHAXCCPH-GFCCVEGCSA-N 291.355 0.248 0 50 CCAA CC[C@H](C(=O)N1CCC([C@H](C)N)CC1)N1CCCC1=O 178826600 OTRXKAPSOWZXIQ-WCQYABFASA-N 281.400 0.973 0 50 CCAA C[C@H](Cn1cncn1)NC(=O)c1ncc(F)cc1F 222494381 OMJWNGGNVITFMQ-SSDOTTSWSA-N 267.239 0.770 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)C1(N2CCCC2)CCCC1 426503418 FBFMZNQJZPHTJW-NEPJUHHUSA-N 296.367 0.441 0 50 CCAA Cc1cc(C)n(CCCC(=O)N[C@H](C)C(=O)O)n1 426494347 QNYNSZHYPZPDNI-SNVBAGLBSA-N 253.302 0.869 0 50 CCAA Cc1cc(C(=O)NCc2[nH]cnc2C)c(=O)n(C)c1C 426497091 FCEHFAJSFLGVER-UHFFFAOYSA-N 274.324 0.964 0 50 CCAA C[C@@H](CO)NC(=O)Nc1cccc(-c2ncn(C)n2)c1 161553214 NABVNZKDGIWGDX-VIFPVBQESA-N 275.312 0.984 0 50 CCAA O=C([C@@H]1CCS(=O)(=O)C1)N1CC(c2ccccn2)C1 97805657 RWBKIAUWAZJYBE-SNVBAGLBSA-N 280.349 0.442 0 50 CCAA O=C(O)CN1CCC[C@H](c2ccn(CCO)n2)C1 426509376 MQGOYLGDUJFWBY-JTQLQIEISA-N 253.302 0.139 0 50 CCAA CCc1cnc(N)nc1N1CCN(C[C@@H]2CCCO2)CC1 95390691 YDQFAFNNMKXZJS-ZDUSSCGKSA-N 291.399 0.922 0 50 CCAA CCc1noc(CN(CC)C(=O)Nc2cn(C)nn2)n1 96180683 RSVFVHRRBOHZAF-UHFFFAOYSA-N 279.304 0.815 0 50 CCAA CC(C)[C@H](Nc1cc([C@H]2C[C@@H](O)C2)nc(N)n1)C(N)=O 244811431 SCNHESWZDLMLKU-RNSXUZJQSA-N 279.344 0.219 0 50 CCAA Cc1cn(C)[nH]c1=NC(=O)[C@@H]1CN(C)C(=O)c2ccccc21 620923053 BNXRMPVMWCLBED-CYBMUJFWSA-N 298.346 0.958 0 50 CCAA O=C(Cc1cc(F)ccc1F)N[C@H]1[C@@H]2CNC[C@@H]21 295307490 VQVFQAQZJGELHL-IWIIMEHWSA-N 252.264 0.841 0 50 CCAA CN1CC[C@@H](C(=O)NCc2ccc(C(=O)O)cc2)CC1=O 299747323 CPLWAOORPFYBJK-GFCCVEGCSA-N 290.319 0.869 0 50 CCAA CN1CCN([C@H]2COC[C@@H]2NC(=O)c2ccco2)CC1 534665439 XTTLHISPIIWPJT-RYUDHWBXSA-N 279.340 0.024 0 50 CCAA O=C(c1cc(O)nc2ccccc12)N1C[C@@H]2NCCO[C@H]2C1 534590184 UFRBQPMNXANIJW-KBPBESRZSA-N 299.330 0.753 0 50 CCAA O=C(CCCn1cccn1)NC[C@H]1CC(=O)N(C2CC2)C1 299784219 GDBUUEUMKYKDHE-GFCCVEGCSA-N 290.367 0.790 0 50 CCAA Cc1nn(C)cc1-c1cccc(C(=O)NC[C@H](O)CO)c1 299781186 SSKICFUVIBDVPY-ZDUSSCGKSA-N 289.335 0.479 0 50 CCAA CCc1nccn1C[C@@H](C)NCCc1ncnn1C 823557591 WLUAZTMSPKENHH-LLVKDONJSA-N 262.361 0.795 0 50 CCAA CCN(C)S(=O)(=O)NCc1nc2ccc(OC)cc2[nH]1 823086625 AFYGGWLVJZUPLP-UHFFFAOYSA-N 298.368 0.858 0 50 CCAA C[C@H](CCC(=O)N1CCN(C)C(=O)C1)N1CCCC1 584899849 WNPWLHYFACIBHP-GFCCVEGCSA-N 267.373 0.552 0 50 CCAA O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)N1CCNCC1 670446015 QAVYKMHBGJFAKQ-GFCCVEGCSA-N 277.372 0.021 0 50 CCAA Cc1nc([C@@H]2OCC[C@@H]2NC(=O)c2cccn2C)n[nH]1 685941937 JSYIEYNOMYUYDO-GXSJLCMTSA-N 275.312 0.712 0 50 CCAA C[C@@H](CC(N)=O)N(C)S(=O)(=O)c1ccc2nc[nH]c2c1 952873913 QMKCDIZSESFZFW-QMMMGPOBSA-N 296.352 0.447 0 50 CCAA CNC(=O)[C@H](C)CN(C)c1nc(OC)ncc1Cl 269068776 YKUOXCGPAVATMS-SSDOTTSWSA-N 272.736 0.957 0 50 CCAA Cc1nc(C)c(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)nc1C 407967741 RAWXHCFABFLXGT-LLVKDONJSA-N 297.380 0.661 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)CC1CC1 408025198 ABJOUUUGLJMBIZ-WDEREUQCSA-N 263.359 0.462 0 50 CCAA CN(CCN(C)C1CC1)C(=O)C[C@@H]1CCC(=O)N1C 408522108 DAIDSOXHMWWHMO-LBPRGKRZSA-N 267.373 0.550 0 50 CCAA CCc1nnsc1C(=O)N1C[C@@H](COC)O[C@H](C)C1 170603516 AERNCTMCQJDKAH-BDAKNGLRSA-N 285.369 0.976 0 50 CCAA C[C@@H](C(=O)O)N(C(=O)c1ccc(C(=O)O)cn1)C1CC1 647742128 CUOYLLFHSSDZQI-ZETCQYMHSA-N 278.264 0.858 0 50 CCAA O=C(O)c1cccc2c1CN(C(=O)[C@@H]1COCCO1)CC2 649258164 JVFVEFZVRAUQMG-ZDUSSCGKSA-N 291.303 0.685 0 50 CCAA CCn1cc(CN2CC[C@@](O)(Cn3ccnn3)C2)cn1 671492086 AGVSWFYCWNIOTK-ZDUSSCGKSA-N 276.344 0.132 0 50 CCAA COCCC1(C(=O)N2CC[C@@](O)(c3cnn[nH]3)C2)CCC1 583619135 SHESZYAJXVPNEQ-AWEZNQCLSA-N 294.355 0.431 0 50 CCAA Cc1cnc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc1 677503087 BCPVFZTZPLMUEE-GFCCVEGCSA-N 296.396 0.094 0 50 CCAA CNC(=O)[C@H]1CCCCN1Cc1cccc(C(=O)O)n1 97137460 PCKJTRSERPYHCF-GFCCVEGCSA-N 277.324 0.880 0 50 CCAA C=CC(=O)N1CCC[C@@H](n2cc(C(=O)O)nn2)C1 1614423236 RXSKDUGXAIWRHY-MRVPVSSYSA-N 250.258 0.326 0 50 CCAA C[C@@H](CNC(=O)C1=NN2CCCN=C2N1)c1cccs1 1615045146 YPXCLHTXEPJVKU-VIFPVBQESA-N 291.380 0.946 0 50 CCAA Cc1cc(F)cc(C)c1C(=O)NCCS(N)(=O)=O 1615590478 KYILRIBBJPQZPB-UHFFFAOYSA-N 274.317 0.461 0 50 CCAA CN(C)[C@H](C(=O)N1CC2(CNC2)C1)c1cccc(F)c1 1857682583 WQZSDEUHLLAQFC-ZDUSSCGKSA-N 277.343 0.860 0 50 CCAA Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO 366587396 XNYPKLZBACEJEN-BQBZGAKWSA-N 297.739 0.167 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NCCN2)C1 1565505216 CBNRNNHQVKGFJA-ZDUSSCGKSA-N 269.345 0.476 0 50 CCAA NCc1sccc1S(=O)(=O)N1CCOCC1 15424086 ZFHMDFJDXBKLAM-UHFFFAOYSA-N 262.356 0.228 0 50 CCAA CCC[C@]1(CO)CCN(Cc2cc[nH]c(=N)c2)C[C@H]1O 1875250108 YBORVJCWXNNCFH-UKRRQHHQSA-N 279.384 0.840 0 50 CCAA NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2022596 FUCKRCGERFLLHP-SECBINFHSA-N 266.253 0.241 0 50 CCAA in-vitro NCCc1c(-c2ccc(Cl)cc2)[nH]n(C(N)=O)c1=O 4235049 KWANSVINFHTGEL-UHFFFAOYSA-N 280.715 0.925 0 50 CCAA in-vitro CN[C@@H](C)c1cn(CC(=O)N2CCOC[C@@H]2C2CC2)nn1 641156267 PGTAWBQSGMXIJH-GXFFZTMASA-N 293.371 0.196 0 50 CCAA Cc1nn(C)cc1CNc1n[nH]cc1C(=O)N(C)C 902661312 SXKOQHJQOWKHDH-UHFFFAOYSA-N 262.317 0.766 0 50 CCAA CCNC(=O)CNC(=O)[C@@H](F)[C@@H](C)C(F)(F)F 1775999020 MDPZILHEMPEPKW-VDTYLAMSSA-N 258.215 0.775 0 50 CCAA CCOCCC(=O)N(CCO)S(=O)(=O)C(F)(F)F 1776007476 FSYKAMFTPQDZGW-UHFFFAOYSA-N 293.263 0.084 0 50 CCAA O=S(=O)(Cc1cnn(CCF)c1)c1ncc[nH]1 899479422 WIQQZRAKKBXNJR-UHFFFAOYSA-N 258.278 0.550 0 50 CCAA NC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H](N)C1 237972841 WNXVEPDCIPHBTA-TUAOUCFPSA-N 267.373 0.760 0 50 CCAA CCS(=O)(=O)N1CCNC[C@@H]1c1ccccc1 257229614 FYTVJALFDNXRBG-GFCCVEGCSA-N 254.355 0.983 0 50 CCAA COC(=O)C[C@@H]1CN(C(=O)[C@@H]2[C@H](C)C2(F)F)CCO1 408233308 STLSCKHNPHDAOM-XKSSXDPKSA-N 277.267 0.678 0 50 CCAA CN(C(=O)[C@@H]1COCCO1)C1CCC(CO)CC1 408282040 SRUHWCHJRAAAMY-MCIGGMRASA-N 257.330 0.411 0 50 CCAA OCc1cc(N2CCN(c3ncccn3)CC2)ncn1 705864055 JBXPTBRKSKTBBH-UHFFFAOYSA-N 272.312 0.086 0 50 CCAA CO[C@@H](C(=O)NC[C@H]1CNC(=O)C(C)(C)C1)C1CC1 2325800671 AVTXDLKXBYUSEL-GXSJLCMTSA-N 268.357 0.690 0 50 CCAA C[C@H]1CN(CCNC(=O)Nc2ccns2)CCO1 932023558 NFSTZGRKJCILQZ-VIFPVBQESA-N 270.358 0.985 0 50 CCAA Cc1ccc(N(CC(N)=O)S(C)(=O)=O)c(C)c1 379635 DJBQODXELXDNEV-UHFFFAOYSA-N 256.327 0.555 0 50 CCAA NNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 1029820 YDTLHKWHMIBBOM-UHFFFAOYSA-N 287.327 0.737 0 50 CCAA O=S(=O)(O)[C@@H]1Cc2c(no[n+]2[O-])-c2ccc(O)cc21 3096057 KGPMIRLONXRWJB-SECBINFHSA-N 284.249 0.166 0 50 CCAA CN1CCNC(=O)C12CCN(Cc1cccc(C#N)c1)CC2 67741343 PICVVHISNJDOES-UHFFFAOYSA-N 298.390 0.954 0 50 CCAA COCCN(C)S(=O)(=O)N[C@@H]1CN(C(C)C)C[C@H]1C 247243097 YCCYOZIBQIOXJZ-VXGBXAGGSA-N 293.433 0.128 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cnn(C)c1 247528084 XHNIZPQXEKCCJR-MNOVXSKESA-N 284.385 0.277 0 50 CCAA Cc1ccc(CN(CCCO)C[C@@H](O)CO)s1 55182487 JMPLNHUEAAIOIR-LLVKDONJSA-N 259.371 0.594 0 50 CCAA CN1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1=O 20537659 UUVDRBGKGKRNNC-UHFFFAOYSA-N 276.292 0.372 0 50 CCAA CNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230369 UDKLAAJWBQLNDZ-UHFFFAOYSA-N 272.326 0.207 0 50 CCAA Cc1nc(N(C)C)nc(NCCN2CCNC2=O)c1C 65380953 DRTKNMRTYANBJS-UHFFFAOYSA-N 278.360 0.597 0 50 CCAA COCCN1CC[C@H](C(=O)Nn2c(C)cc(C)cc2=O)C1 20233156 YBAPUUZKXLDGMZ-ZDUSSCGKSA-N 293.367 0.504 0 50 CCAA CN1CN(C(=O)c2snnc2C2CC2)CC1=O 329571740 MTYUDBGVXLGRPK-UHFFFAOYSA-N 252.299 0.287 0 50 CCAA COCC[C@H]1COCCN1C(=O)Cn1cc(C)cn1 330926729 VWXSREBRNGTKQN-LBPRGKRZSA-N 267.329 0.455 0 50 CCAA Cc1noc(C)c1CN1CCO[C@@H](CN(C)CC(=N)O)C1 328634050 MLMUMXWSVZGPOD-LBPRGKRZSA-N 296.371 0.959 0 50 CCAA NS(=O)(=O)C1CCN(Cc2ccc(CO)cc2)CC1 330696812 DXFOFOQFVYIPQM-UHFFFAOYSA-N 284.381 0.432 0 50 CCAA O=C(N[C@@H]1CCc2nnnn2CC1)c1ccc2cncn2c1 333656718 ANQOGSGYAMCPJI-LLVKDONJSA-N 297.322 0.456 0 50 CCAA Cn1cnc2cc(C(=O)N3CC(F)(F)C[C@H]3CO)cnc21 372499834 BEPLSMYQXNDBGB-VIFPVBQESA-N 296.277 0.810 0 50 CCAA CC(=O)N1CCC[C@@](O)(C(=O)N2CCc3ccccc32)C1 286179651 ZUXWDHZFYABUNM-INIZCTEOSA-N 288.347 0.949 0 50 CCAA Cn1ccnc1CN1CCN(C(=O)C[C@H]2CCOC2)CC1 329776689 KCSLNMRXYBGEQL-CYBMUJFWSA-N 292.383 0.491 0 50 CCAA C[C@H](NC(=O)c1cnnn1-c1ccccc1)c1nc(N)n[nH]1 426401860 LMRTWCMFNQOQJA-QMMMGPOBSA-N 298.310 0.459 0 50 CCAA C[C@H](CN(C)CCO)N1CCC2(CCNCC2)C1 426514944 ZWJJSQADMBOMLX-CYBMUJFWSA-N 255.406 0.375 0 50 CCAA CCc1nc(C)ccc1OCC(=O)N[C@@H]1COCC[C@H]1O 222573157 HATVFJCXUPQXJZ-CHWSQXEVSA-N 294.351 0.597 0 50 CCAA O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 239654532 BOGFZZAHJJHPMW-CSYMLDBXSA-N 291.351 0.479 0 50 CCAA COCc1cc(-c2cn(C[C@@H](O)CO)nn2)ccc1OC 91625138 XFDCJRYKLMLBEL-GFCCVEGCSA-N 293.323 0.453 0 50 CCAA NC(=O)C1CCN(C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)CC1 236194966 FCAWNOASBGEFJM-FIQHERPVSA-N 292.335 0.233 0 50 CCAA Cc1cc(C(=O)N2CCOC[C@H]2C(=O)O)nn1C(C)(C)C 299750472 NNHWKUSOKJOMID-NSHDSACASA-N 295.339 0.872 0 50 CCAA Nc1nc(N[C@H]2C[C@@H](c3cc(O)ncn3)C2)c2nc[nH]c2n1 253534769 AWZRBITZKLGNJM-KNVOCYPGSA-N 298.310 0.789 0 50 CCAA COCCc1noc([C@@H](C)NC(=O)c2nonc2C)n1 299784253 ZPOIABPRAMEOQX-SSDOTTSWSA-N 281.272 0.441 0 50 CCAA C[C@H](Cn1ccnc1)NCC1(O)CCN(C)CC1 823761182 QWPWKNHSIFFDJZ-GFCCVEGCSA-N 252.362 0.318 0 50 CCAA O=C(CN1CCCCCCC1=O)OCc1nn[nH]n1 585136171 UQBHDSAOUYFDOU-UHFFFAOYSA-N 267.289 0.036 0 50 CCAA COc1nccc(C(=O)N[C@H]2CCNC23CCC3)n1 1357925470 QHTATJYYZCTLCY-JTQLQIEISA-N 262.313 0.500 0 50 CCAA Cn1cncc1[C@H](N)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 958528223 OVJSIPKKDRUTID-FZMZJTMJSA-N 296.371 0.792 0 50 CCAA O=C(NC[C@H]1CCCOC1)C1CN(CC(F)F)C1 408521965 AWQGEADICWGRGX-SECBINFHSA-N 262.300 0.726 0 50 CCAA COC(=O)C1(NCCn2c(=O)oc3cccnc32)CCC1 170076873 GSSZZDFCCWPHJM-UHFFFAOYSA-N 291.307 0.675 0 50 CCAA CO[C@H](C)c1noc(CN(C)C(=O)[C@@H]2C[C@H]2C(=O)O)n1 268943117 LCCUCYJAZHNEQQ-BWZBUEFSSA-N 283.284 0.456 0 50 CCAA O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCc2[nH]cnc2C1 95359683 XCFMIVXTANDYPA-SECBINFHSA-N 281.337 0.243 0 50 CCAA Cc1c(C(=O)N[C@@](C)(C(=O)O)c2ccccc2)nnn1C 663140225 BQLCEAFCEROORD-CQSZACIVSA-N 288.307 0.853 0 50 CCAA Cc1cc(C[C@@H]2CN(C3CCNCC3)C[C@H]2O)n[nH]1 1529145886 ITMFCRQFARDLAP-BXUZGUMPSA-N 264.373 0.305 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCCCC1 225681402 WDBSFMAGIDPLAF-ZNSHCXBVSA-N 251.282 0.653 0 50 CCAA NC(=O)c1ccc(OCCCN2CC[C@@H]3CNC[C@@H]32)cc1 222204404 SLDOIBXNMBSHQH-HIFRSBDPSA-N 289.379 0.848 0 50 CCAA CCC[C@H]1C(=O)NCCN1C(=O)Cc1cnn(C)c1 122224461 BHYGFPMHMJNCPI-NSHDSACASA-N 264.329 0.090 0 50 CCAA Nc1nc2cccc(I)n2n1 238611177 VCAQULHUVQYCPQ-UHFFFAOYSA-N 260.038 0.916 0 50 CCAA Cc1cc(C[C@@H]2CN(c3cc(O)nc(N)n3)C[C@@H]2O)on1 1704329349 RYQYMVYUFMREIC-SCZZXKLOSA-N 291.311 0.101 0 50 CCAA C[C@H]1COCCN1CCNC(=O)c1ncccc1F 668254408 YFKYSQVJADGFNA-JTQLQIEISA-N 267.304 0.671 0 50 CCAA O=C(CN1C[C@H](O)C[C@H]1C(=O)O)NC1CCCCCC1 228619162 QKBHWIDEQRBMLK-NEPJUHHUSA-N 284.356 0.345 0 50 CCAA C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCCO2)C[C@@H](C)O1 229719101 OFTYAZIEJZTKDK-GMTAPVOTSA-N 278.374 0.109 0 50 CCAA OC[C@@H](O)C1CCN(c2nnc3ccccn23)CC1 1772709426 HPEUAENEYXHTJY-LLVKDONJSA-N 262.313 0.299 0 50 CCAA Cc1nc2ncc3c(=O)n(C[C@@H]4CCCO4)ccc3n2n1 13638694 YRZPWBJESDDYPM-JTQLQIEISA-N 285.307 0.927 0 50 CCAA COC(=O)CN[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 19093811 OXEAIHDMZQISBQ-NSHDSACASA-N 292.291 0.090 0 50 CCAA O=C(CC1=CCCC1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857705554 MFHLVMAPJFGEMA-CZUORRHYSA-N 292.379 0.976 0 50 CCAA CC(C)[C@H]1OCC[C@@H]1CNc1ccc2nnnn2n1 328611407 LIZJKGLJYZNMJF-BXKDBHETSA-N 262.317 0.992 0 50 CCAA Cc1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)CO2 423101 OJRVKDSPFDLVLY-UHFFFAOYSA-N 290.319 0.579 0 50 CCAA C[C@H](O)CN1CCN(C(=O)C2(C(=O)O)CC=CC2)C[C@@H]1C 663108969 AVSDGJYBNQTZGW-RYUDHWBXSA-N 296.367 0.321 0 50 CCAA Cc1cc(C(=O)NCC2(CC(N)=O)CC2)ns1 585130509 SEVZPIPUGJJYQF-UHFFFAOYSA-N 253.327 0.837 0 50 CCAA O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1C[C@H]2C=C[C@H]1C2 264787399 ATQNHHQOEHJQEQ-YFKTTZPYSA-N 258.325 0.921 0 50 CCAA Cc1csc(CN2CC[C@H](C(=O)O)[C@H](O)C2)n1 1704297491 AZEVALHQTPXGKI-DTWKUNHWSA-N 256.327 0.719 0 50 CCAA O=S(=O)(NCc1ncc(Br)cn1)C1CC1 907995912 UNJDLNGYBWDRCW-UHFFFAOYSA-N 292.158 0.821 0 50 CCAA CC/C=C1/CCN(C(=O)[C@H]2CN3CCN2C[C@H]3C)C1 1875297260 INUQWJYSKUEATA-LZYVLQKXSA-N 263.385 0.943 0 50 CCAA Cc1cc(-c2noc([C@H]3CN(C)CCO3)n2)cc(=N)[nH]1 1875285853 CXJSEHLOWJDDML-SNVBAGLBSA-N 275.312 0.856 0 50 CCAA C[C@H](N=c1ccc2nnnn2[nH]1)c1cc2n(n1)CCCC2 1875286821 IEDXESVAPMOWPO-VIFPVBQESA-N 284.327 0.647 0 50 CCAA CN1C[C@@H](O)[C@H](CC(=O)Nc2c[nH]nc2C(F)(F)F)C1 1875403774 BHYWDMKIXUPZMT-HTRCEHHLSA-N 292.261 0.680 0 50 CCAA CN(C)c1ccnc(C(=O)NC[C@H]2CCC3(CNC3)O2)c1 888096561 JMNWGACZKAUBNL-GFCCVEGCSA-N 290.367 0.398 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 249653607 YXEOHPZNMAUYOL-HHHUOAJASA-N 298.364 0.681 0 50 CCAA Cc1nnc(CN2CCN(c3cnn(C)c3)CC2)n1C 174900926 ISLWXCXUGWTJDF-UHFFFAOYSA-N 275.360 0.179 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](O)CC1 294218682 SHXFZQLEMLIJQH-NSHDSACASA-N 287.385 0.572 0 50 CCAA CSCCN1CCN(C(=O)c2cccc(O)n2)CC1 299798920 WJYDITSOIVVNHY-UHFFFAOYSA-N 281.381 0.908 0 50 CCAA O=C(c1cnn2c1CCCC2)N1CCOC[C@H](O)C1 77377685 SFUDVTBHUDSUIP-SNVBAGLBSA-N 265.313 0.053 0 50 CCAA O=C(c1cccc2c1CCCC2)N1C[C@@H](O)[C@H](CO)C1 333630352 BEVYUTXPMFWOMM-SWLSCSKDSA-N 275.348 0.991 0 50 CCAA CNC(=O)c1cnc(NCC[C@H]2CCCN(C)C2)cn1 2325789355 LENPOULLHGMIKI-LLVKDONJSA-N 277.372 0.980 0 50 CCAA C[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 392037 IPJUIRDNBFZGQN-PSASIEDQSA-N 253.254 0.747 0 50 CCAA O[C@H]1CCCN(c2ccnc(N3CC[C@H](O)C3)n2)C1 2356154400 URPXGZKJTQPOQV-QWRGUYRKSA-N 264.329 0.009 0 50 CCAA CN1CCOC2(CCN(C(=O)[C@@H](O)C(F)(F)F)CC2)C1 2356169684 VNLKDGLVZOHBOF-SECBINFHSA-N 296.289 0.233 0 50 CCAA O=C(NCC[C@@H](O)[C@H](O)CO)OCc1ccccc1 3136347 YCUQTHBQUKYBJR-VXGBXAGGSA-N 269.297 0.017 0 50 CCAA COC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 7881351 BFMOENNKJQPZLX-SECBINFHSA-N 263.249 0.911 0 50 CCAA O=C(N[C@@H]1CNCC[C@H]1O)OCc1ccccc1 107259780 BVGWHCKPKOUPKY-VXGBXAGGSA-N 250.298 0.636 0 50 CCAA Cc1cc(=O)n2nc(C(=O)NCc3ccccc3)nc2[nH]1 100650741 BFNJGHRFXKFODG-UHFFFAOYSA-N 283.291 0.656 0 50 CCAA O=C(NCc1nnc2n1CCCC2)c1ccc2[nH]nnc2c1 53902305 XWAXUOWHSYPMPQ-UHFFFAOYSA-N 297.322 0.816 0 50 CCAA CCC[C@@]1(C2CCN(CC(=O)O)CC2)NC(=O)NC1=O 67515536 HDXQWIFJOWPCAT-ZDUSSCGKSA-N 283.328 0.161 0 50 CCAA NC(=O)[C@@H]1CCCN1C1CCN([C@@H]2CCCC[C@H]2O)CC1 252512820 VZJIJBFVTICQGJ-QLFBSQMISA-N 295.427 0.704 0 50 CCAA Cc1cccc(OCCN(C)C[C@H](O)CO)c1C 65387185 XQDSKBCDYYTYRP-ZDUSSCGKSA-N 253.342 0.967 0 50 CCAA CN[C@@H]1CCCN(C(=O)c2ccccc2OCC(N)=O)C1 151005708 XXDFDHDJLJEWDC-LLVKDONJSA-N 291.351 0.375 0 50 CCAA CC(C)(C)n1cc(NC(=O)NC2(C(N)=O)CC2)cn1 125188668 CSZNUUZUZAPALN-UHFFFAOYSA-N 265.317 0.778 0 50 CCAA COCCCC(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 328635322 NGYKXQDGMIHTFI-CYBMUJFWSA-N 292.383 0.936 0 50 CCAA COc1ccccc1[C@H](O)CNC(=O)C1CCNCC1 154302637 QHZFAQYUZHAZBI-CYBMUJFWSA-N 278.352 0.844 0 50 CCAA CC[C@H]1CN(C(=O)c2cnn3c2OCCC3)CCO1 367788566 BRFJTBXTRHDGAW-JTQLQIEISA-N 265.313 0.917 0 50 CCAA O[C@@]1(Cn2ccnn2)CCCN(CCc2ccncc2)C1 331669246 NYQGFQXRWPQMSK-HNNXBMFYSA-N 287.367 0.743 0 50 CCAA NC[C@@H]1CC[C@@H](NC(=O)N2CCc3ccnc(O)c3C2)C1 333486666 CUEBSYFYUIWQKS-ZYHUDNBSSA-N 290.367 0.982 0 50 CCAA c1cn([C@H]2CCCN(c3ccc4nncn4n3)C2)nn1 333527313 XMENHAINVSZLQS-JTQLQIEISA-N 270.300 0.557 0 50 CCAA C[C@@H](Cn1cncn1)Nc1ccc(-c2nccn2C)nn1 71765240 PJWIVAKTOCVVAO-JTQLQIEISA-N 284.327 0.969 0 50 CCAA Cc1cccc(=O)n1CCCNC(=O)C[C@@H]1COCCN1 72173941 WUSZICXCPUPFBK-CYBMUJFWSA-N 293.367 0.042 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COc2ccccc2F)C1 284602057 NHIBFDACNYEWCB-ONGXEEELSA-N 296.298 0.306 0 50 CCAA Cc1nc(O)ccc1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 284754162 ODQVKPFSQJHTIQ-QWHCGFSZSA-N 291.351 0.641 0 50 CCAA CCc1ccccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O 287380305 NLXFFKQYOSGBHY-SNVBAGLBSA-N 296.348 0.285 0 50 CCAA N[C@H]1CCCCN(C(=O)CCc2nc(Cl)n[nH]2)C1 82099800 ZBPAYWXSTDJRNX-QMMMGPOBSA-N 271.752 0.731 0 50 CCAA CC(C)CN1CCN(C(=O)Cn2cccnc2=O)CC1 330522612 APMCSANVIHSZOB-UHFFFAOYSA-N 278.356 0.044 0 50 CCAA CC1(C)CNC(=O)c2nc(CCN3CCOCC3)[nH]c2C1 95352189 GITGQLXTHPXTEI-UHFFFAOYSA-N 292.383 0.597 0 50 CCAA C[C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@]1(C)O 91665423 BDALCLURGZGELI-YGRLFVJLSA-N 263.341 0.991 0 50 CCAA CNc1ncc(CN(C)c2ncncc2C(=O)O)cn1 95376247 BPTJWPVNFRMKMC-UHFFFAOYSA-N 274.284 0.643 0 50 CCAA Cn1nc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)ccc1=O 97775693 JMCTUDYONOXTDW-JSGCOSHPSA-N 284.319 0.135 0 50 CCAA O=C(Nc1cccc(-n2cnnc2)c1)N[C@@H]1CCNC1 97602140 ZVIFGXIVSZOBRO-LLVKDONJSA-N 272.312 0.751 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)N1CCNC(=O)C1 91593380 KSZIGTFQAAAPBP-UHFFFAOYSA-N 278.356 0.674 0 50 CCAA Cc1cccc(C)c1OC1CN(C(=O)CNC(N)=O)C1 95373110 FKIGDHKTICXXMW-UHFFFAOYSA-N 277.324 0.561 0 50 CCAA O=C(CCn1ccccc1=O)N1CCc2[nH]cnc2C1 96133515 VAUAIIFGMZZZCK-UHFFFAOYSA-N 272.308 0.546 0 50 CCAA Cn1cc(S(=O)(=O)N2CCC(CN)CC2)nc1Cl 237797726 GAEUIHTZIPDNPK-UHFFFAOYSA-N 292.792 0.433 0 50 CCAA Cc1cccc([C@]23NC(=O)[C@@H]4[C@H]5C[C@@H]([C@H](O2)[C@H]5O)[C@H]43)c1 244899967 ZTQGSZSIMVSPOG-DLYBDHGVSA-N 271.316 0.919 0 50 CCAA C[C@H](Nc1ccc2c(c1)OCC(=O)N2C)C(=O)NC(N)=O 541861153 QMIMFUQZBADWMK-ZETCQYMHSA-N 292.295 0.037 0 50 CCAA CC[C@@H](C(=O)NCc1nnc(N)s1)n1cccn1 252479766 BMPXDXNPLLMHRS-ZETCQYMHSA-N 266.330 0.584 0 50 CCAA CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H]2OC(C)(C)O[C@H]12 256009204 WNHXYQWRRURBBJ-VLEAKVRGSA-N 274.269 0.358 0 50 CCAA N=c1cc(-c2ccc(C(=O)N[C@H]3CCOC3)cc2)[nH]c(=N)[nH]1 534646633 XRGOYWBDAHDSQZ-NSHDSACASA-N 299.334 0.487 0 50 CCAA OC[C@@H]1C[C@@H](O)CN1c1ncccc1Br 367417744 IOMQJGJVBCMLQP-JGVFFNPUSA-N 273.130 0.776 0 50 CCAA C[C@H]1CN(C(=O)NCCc2ncc[nH]2)C[C@@H](C)O1 534576677 IMAOOQZCYRBXHI-AOOOYVTPSA-N 252.318 0.771 0 50 CCAA Cc1cccc(C(=O)N[C@@]2(CO)CCOC2)c1O 185286486 BPNYUFQPDWGQJU-CYBMUJFWSA-N 251.282 0.582 0 50 CCAA CC[C@@H](C(=O)O)N1CCC[C@@H](CS(=O)(=O)NC)C1 629507046 KSGAULHPEJTKQT-ZJUUUORDSA-N 278.374 0.111 0 50 CCAA c1nc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)c2nc[nH]c2n1 299789643 YZZBAMMGLAFUBK-UWVGGRQHSA-N 298.310 0.295 0 50 CCAA CC[C@@H](C(=O)N(C)C)N(C)Cc1nncn1CCOC 670441744 GUBNIDHIFLXSAK-NSHDSACASA-N 283.376 0.223 0 50 CCAA Cc1cc(C)n(C[C@@H](C)N2CCCNC(=O)C2)n1 670438631 PKZPKACEEGKVSH-GFCCVEGCSA-N 250.346 0.710 0 50 CCAA O=C(CCc1ccncn1)N1CC(=O)N(CC2CC2)C1 279344910 FBLPUHRAEPIPQQ-UHFFFAOYSA-N 274.324 0.448 0 50 CCAA CNC(=O)[C@H]1CCC[C@H]1N=c1ccn2nccc2[nH]1 585092791 NYKGOWVBBBQUTN-VHSXEESVSA-N 259.313 0.478 0 50 CCAA CC[C@H](C(=O)O)N1CCN(CCc2cnccn2)CC1 635022284 VXVWWJXWANTXHI-CYBMUJFWSA-N 278.356 0.500 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1n[nH]cc1C 643763497 BLBQAWDQDLXOPO-LBPRGKRZSA-N 252.318 0.184 0 50 CCAA CC[C@H](NCC(=O)NC1CCCCC1)C(=O)OC 192842027 CRVYGUIKXYMIAC-NSHDSACASA-N 256.346 0.977 0 50 CCAA C[C@@H](N)[C@H]1CN(C(=O)Cc2ccccc2F)CCO1 195542214 PHPPCKGHEXQWDO-ZWNOBZJWSA-N 266.316 0.943 0 50 CCAA Cn1ncc2c(N3CC[C@](O)(Cn4ccnn4)C3)ccnc21 671466588 NECTUSYHAJNKOQ-CQSZACIVSA-N 299.338 0.201 0 50 CCAA CN(C)c1nc(CNC(=O)c2cn[nH]c2)cs1 215167689 DMCPUPGBLSKKFA-UHFFFAOYSA-N 251.315 0.862 0 50 CCAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cncn1C 19811895 QDSCATYJYGCBQL-JTQLQIEISA-N 281.312 0.214 0 50 CCAA COc1nccnc1N1CCN2C(=O)OC[C@@H]2C1 1506414664 RVAIAJYOCDTWQP-QMMMGPOBSA-N 250.258 0.126 0 50 CCAA CN(C)CCN(Cc1cc(O)nc(O)n1)C[C@@H]1CCCO1 1529185931 SZTSBFPBMNYRCQ-LBPRGKRZSA-N 296.371 0.430 0 50 CCAA COc1cnc(C)cc1C(=O)N1CCS(=O)(=O)CC1 1857680518 KFDHPORGVQRUGZ-UHFFFAOYSA-N 284.337 0.269 0 50 CCAA CC1=CC2(CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)OCC1 1704304277 LWCZJJDKCWSPGG-LBPRGKRZSA-N 278.352 0.993 0 50 CCAA CO[C@@H]1C[C@H](C(=O)N(C)Cc2cc[nH]n2)CC[C@@H]1O 1704313026 FEAGOLMYWOAQTC-ADEWGFFLSA-N 267.329 0.544 0 50 CCAA Cn1cc([C@H]2OCCC[C@@H]2NS(C)(=O)=O)cn1 408383927 BNAWMIBFZMSWMY-VHSXEESVSA-N 259.331 0.189 0 50 CCAA C[C@@H](C(=O)NCC(F)(F)F)N1CCO[C@@H](CN(C)C)C1 229536809 UYPVYSHQABILQK-UWVGGRQHSA-N 297.321 0.316 0 50 CCAA OCC1(CN2CC[C@@H](n3cc(Cl)cn3)C2)COC1 377791006 YDEJLIFEDYSFNQ-LLVKDONJSA-N 271.748 0.792 0 50 CCAA CCc1cnc(N)nc1N1CC[C@H](CC(=O)NC)C1 1772710623 CNMSARZWTZWUQB-SECBINFHSA-N 263.345 0.584 0 50 CCAA COCCN1CCC[C@](O)(CNC2CCCCC2)C1=O 12204984 PNEOCOFBSDNQOE-HNNXBMFYSA-N 284.400 0.909 0 50 CCAA CN1CC[C@H](C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)CC1=O 249648041 YASLZDGAFKILTG-YQGUXNGLSA-N 278.352 0.083 0 50 CCAA C=CC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 848979030 IREPQVHILPPAMW-UHFFFAOYSA-N 274.320 0.961 0 50 CCAA CC[C@@H](COC)NC(=O)N[C@H](C)c1nnc(O)n1C 864094023 AMDFLMMQKWVDRY-SFYZADRCSA-N 271.321 0.306 0 50 CCAA CCC(=O)O[C@@H]1C[C@@H]2C(=O)NCc3cccnc3N2C1 870521736 VTXNFODKQXRBMI-GHMZBOCLSA-N 275.308 0.612 0 50 CCAA CN1C[C@@H]2CN(C(=O)Cc3cncc(O)c3)C[C@]2(C)C1 887925873 SSOSEZKUOLIOFN-DOMZBBRYSA-N 275.352 0.740 0 50 CCAA O=C1NCc2cc(NC(=O)[C@]34CC[C@H]3CNC4)cnc21 1775786696 DHCRQZCDFZMMGT-XPTSAGLGSA-N 272.308 0.263 0 50 CCAA Cc1[nH]ncc1C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 285877616 RRSOUJYCOWWEDN-NWDGAFQWSA-N 264.329 0.263 0 50 CCAA CCCN1CCN(CCc2nccn2C)CC1=O 670451831 JTTXWGPEAWDTCL-UHFFFAOYSA-N 250.346 0.517 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@]2(CO)CCOC2)c(C)c1 393906160 NXKIKFNEXMNICL-ZDUSSCGKSA-N 285.365 0.733 0 50 CCAA Nc1ccccc1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2 1875319936 ZAWGBVZUNALYQT-AOOOYVTPSA-N 267.354 0.394 0 50 CCAA O=S1(=O)CC[C@H](S[C@H]2CCS(=O)(=O)C2)C1 4012724 VRWOOWOJPSQXHK-YUMQZZPRSA-N 270.397 0.094 0 50 CCAA COc1cc(CNC2CC2)ccc1OCC(N)=O 4850706 GJJWLICRCOTEKZ-UHFFFAOYSA-N 250.298 0.811 0 50 CCAA CS(=O)(=O)N[C@@H]1CCN(C(=O)CC(F)(F)F)C1 116835506 MONXRFWVVMFJIW-ZCFIWIBFSA-N 274.264 0.089 0 50 CCAA CCOC(=O)CN1CCC[C@@H](C(=O)N2CCCC2)C1 67804097 RADGXJAUUGGHCK-GFCCVEGCSA-N 268.357 0.884 0 50 CCAA NC(=O)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)C1 71714993 LJHCMRZSUYIWKA-LBPRGKRZSA-N 279.315 0.392 0 50 CCAA C[C@@H]1CNCCN1C(=O)Cn1c(=O)[nH]c2ccccc21 124521823 WMXULQQEWLVOCF-SNVBAGLBSA-N 274.324 0.150 0 50 CCAA CCn1cc(S(=O)(=O)NCc2ncnn2C(C)C)cn1 330915856 USJHXCLSWSOXTJ-UHFFFAOYSA-N 298.372 0.554 0 50 CCAA CCN1CCN(C(=O)c2ccon2)C[C@@H]1c1nccn1C 328629509 OVYJVPKXZVXSOT-GFCCVEGCSA-N 289.339 0.927 0 50 CCAA Cc1nn(C)c2c1N(C(=O)[C@H]1CNC(=O)C1)CCS2 369812385 YBIJUVJVBDLSAA-MRVPVSSYSA-N 280.353 0.303 0 50 CCAA O=C(CCO)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 72154419 JLKBWMPKSQUUPL-GFCCVEGCSA-N 280.299 0.425 0 50 CCAA CC(C)S(=O)(=O)CC(=O)N1CCC[C@H](C(=O)O)C1 261818621 NFQACZQFIRWPTP-VIFPVBQESA-N 277.342 0.133 0 50 CCAA CCCCOC[C@H]1C[C@@]2(SC(N)=NC2=O)C(=O)O1 32498114 RHCXEJOXBSSRKO-HQJQHLMTSA-N 272.326 0.446 0 50 CCAA CS(=O)(=O)N1CCC(n2ccnc2-c2c[nH]cn2)CC1 77380140 JUSSZVJBXNHQLJ-UHFFFAOYSA-N 295.368 0.870 0 50 CCAA O=C(C[C@H]1COCCN1)NCc1cn2ccsc2n1 72157753 VDHZPZPYDGUUSF-VIFPVBQESA-N 280.353 0.391 0 50 CCAA Cc1ccn(CCC(=O)NCCCn2ccccc2=O)n1 215504672 ZBFNGUVRKWTBQI-UHFFFAOYSA-N 288.351 0.950 0 50 CCAA COC(=O)C1(CNC(=O)c2cc(OC)ns2)CC1 521396259 DHGBXKXFTGFNQJ-UHFFFAOYSA-N 270.310 0.835 0 50 CCAA CNC(=O)[C@]1(C)CCN(C(=O)c2cccc(CO)c2)C1 336097896 WOQHOQCXDHHCGV-OAHLLOKOSA-N 276.336 0.777 0 50 CCAA CN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 263155596 NACUNYFRGUPFJB-SECBINFHSA-N 294.282 0.722 0 50 CCAA Cc1nc(CNC(=O)CN2CCOC2=O)sc1C 223122953 SSBAHLQKLPCNSX-UHFFFAOYSA-N 269.326 0.828 0 50 CCAA Cc1cccc(=O)n1CCCNC(=O)c1cnc[nH]1 221169573 IFYWLFNRLUXVAT-UHFFFAOYSA-N 260.297 0.700 0 50 CCAA CC[C@@H](CO)NC(=O)c1cn(C(C)C)cc(C(=O)O)c1=O 426538611 QMNWSEQDBOJZSO-VIFPVBQESA-N 296.323 0.628 0 50 CCAA CCC[C@@H](CC(=O)O)NC(=O)c1cccc2nnnn12 426386840 CENZKKFNHNMRDP-QMMMGPOBSA-N 277.284 0.498 0 50 CCAA CN(Cc1ccccn1)C(=O)NCCN1CCCC1=O 426599018 UZTUXALTQAFKFF-UHFFFAOYSA-N 276.340 0.845 0 50 CCAA CC(=O)NC(C)(C)C(=O)N[C@@H](c1nccn1C)C1CC1 426361244 UMTSOGQXDJWFRX-LLVKDONJSA-N 278.356 0.902 0 50 CCAA C[C@H]1CN(C(=O)Cn2nnc3ccccc32)CCN1 237751246 AQPNJTLSKUGFDJ-JTQLQIEISA-N 259.313 0.252 0 50 CCAA CCN1C[C@@H](C(=O)NCCCc2cnn(C)c2)CCC1=O 91586428 SMIXHEIDSULZTE-ZDUSSCGKSA-N 292.383 0.727 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H](N)C[C@@H]1C 237608208 APLSFQPWJNOJKR-RVMXOQNASA-N 270.373 0.909 0 50 CCAA Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2CCc3nccn3C2)cn1 248134876 ODPBJRRSALEBSZ-RWMBFGLXSA-N 285.351 0.851 0 50 CCAA Cc1cccn(CC(=O)N2CCC(C)(CO)CC2)c1=O 183663781 SWCCIJJGXOUKPJ-UHFFFAOYSA-N 278.352 0.778 0 50 CCAA O=C([C@@H]1C[C@@H](O)CN1)N1CC[C@H](Cc2ccccc2)C1 299748704 HXIZJPPQYKAPBM-KFWWJZLASA-N 274.364 0.800 0 50 CCAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCC1CC1 524735245 KQKGKOFMTHZGNZ-LBPRGKRZSA-N 287.319 0.653 0 50 CCAA CC(C)(C)OC(=O)N1CCc2nnc(O)n2CC1 258056235 SAAPLFFMNGHWEB-UHFFFAOYSA-N 254.290 0.777 0 50 CCAA O=C(O)[C@H]1COCCN(C(=O)COCc2ccccc2)C1 700397395 QBXRLBCEIAEKMZ-CYBMUJFWSA-N 293.319 0.763 0 50 CCAA C[C@@H](CCC(=O)NCCN1CCNCC1)N1CCCC1 534587298 MSCZPISHRUNWTN-AWEZNQCLSA-N 282.432 0.272 0 50 CCAA C[C@H](CCNC(=O)c1cn[nH]c1)N1CCN(C)CC1 534578940 WQYYAIPYCCKBPE-LLVKDONJSA-N 265.361 0.166 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1ccc(SCCO)cc1 534584161 NDRGMUJPGWPWBW-STQMWFEESA-N 296.392 0.488 0 50 CCAA O=C1NC2(CCOCC2)C(=O)N[C@H]1Cc1ccc(O)cc1 828301561 UFPCLIOUTVWHGO-LBPRGKRZSA-N 290.319 0.099 0 50 CCAA Cn1nc(CO)c2c1CCN(Cc1nccs1)C2 584895615 ZEAMGDXBJKZTEI-UHFFFAOYSA-N 264.354 0.927 0 50 CCAA Cc1nc(CN2CCC(O)(CN(C)C)CC2)n(C)c1C 670460054 PUYHAPFEEKYMRI-UHFFFAOYSA-N 280.416 0.925 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)Cc2ccsc2)C[C@H]1O 1529089657 SWXOHJNZHOYKQT-VHSXEESVSA-N 269.322 0.585 0 50 CCAA Cc1ccn(CC(=O)N[C@@H](CC2CC2)C(=O)O)c(=O)c1 630158700 KHYLSMDZLLKTNG-NSHDSACASA-N 278.308 0.526 0 50 CCAA O=C(CN1CCCCCC1)N[C@H]1COC2(CCNCC2)C1 952970145 SZAIYHUHPANMJQ-CQSZACIVSA-N 295.427 0.890 0 50 CCAA CC1=C(C(=O)NCCSc2nncn2C)OCCO1 952972450 PJOCCPLYZSFDEB-UHFFFAOYSA-N 284.341 0.302 0 50 CCAA O=C(Cc1cc(F)cc(F)c1)N[C@H]1CCOC[C@@H]1O 1565513719 ISLUIOCXXSCURL-RYUDHWBXSA-N 271.263 0.773 0 50 CCAA CNC(=O)c1ccc(N2CCC[C@H](n3cccn3)C2)nn1 301457333 XDQCKNZEWUHHOG-NSHDSACASA-N 286.339 0.874 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N(C)c2cnn(C)c2)N(C)C1 408040232 FRNBNOCSZLMAGC-QWRGUYRKSA-N 252.318 0.102 0 50 CCAA CC[C@H](NC(=O)c1ccn(C)c1)C(=O)N1CCOCC1 268719762 ZOXZNLFKVAAHAI-LBPRGKRZSA-N 279.340 0.392 0 50 CCAA CC(=O)Nc1cccc(CNS(=O)(=O)NC(C)C)c1 272152924 DOWOVHGZZVQSIW-UHFFFAOYSA-N 285.369 0.977 0 50 CCAA Cc1noc(Cl)c1CC(=O)NC[C@@H]1CN(C)CCO1 171286860 IZMNHEJSZKOOQA-SECBINFHSA-N 287.747 0.626 0 50 CCAA O=C(Nc1nnc2n1CCCC2)c1cnn2cccnc12 272530313 MWWVSOZWDKCDCK-UHFFFAOYSA-N 283.295 0.909 0 50 CCAA Cc1noc(NCc2cnc(N3CCN(C)CC3)nc2)n1 170592325 VHRPWKRLGIBJLC-UHFFFAOYSA-N 289.343 0.532 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1ncccn1 643830115 YLMKBTKNUXAPQF-ZDUSSCGKSA-N 264.329 0.204 0 50 CCAA NC(=O)[C@@H]1CC[C@H]1C(=O)Nc1cc2ccccn2n1 655071377 KUPVWYDMFJTYFI-NXEZZACHSA-N 258.281 0.784 0 50 CCAA COCCN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 662334902 CYVCRDXQVAXDPZ-ZDUSSCGKSA-N 293.415 0.645 0 50 CCAA NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)O)nc1 676370868 QTNLGOUBMSNYCS-UWVGGRQHSA-N 291.307 0.554 0 50 CCAA CC[C@@](C)(O)Cc1cn([C@@H]2CCN(C)C2=O)nn1 585091532 UIQRCDXTJTUXLQ-ZYHUDNBSSA-N 252.318 0.385 0 50 CCAA CCCCNC(=O)[C@H](C)N1CC(S(C)(=O)=O)C1 585116090 HDXYDIOGPGRDQW-VIFPVBQESA-N 262.375 0.020 0 50 CCAA Cc1nc(N2CCN(C(=O)c3cccn3C)CC2)n[nH]1 585130559 UOYHGNRNJZOWKT-UHFFFAOYSA-N 274.328 0.414 0 50 CCAA CNC(=O)c1cccnc1N[C@H]1CCCCNC1=O 1529151157 GOIHKFJFFSWSTP-JTQLQIEISA-N 262.313 0.522 0 50 CCAA CCc1nnc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)s1 225705214 JIMSLFNYBGDRMJ-GCXDCGAKSA-N 295.320 0.693 0 50 CCAA O=C(NCCc1nc(=O)o[nH]1)c1cccc2cn[nH]c12 225722279 JCHFNHWMGPKXTC-UHFFFAOYSA-N 273.252 0.212 0 50 CCAA Cc1nnsc1C(=O)N[C@H]1CC[C@@H](C(N)=O)C1 1857532069 UDZPJTBSGWEZPI-RQJHMYQMSA-N 254.315 0.230 0 50 CCAA CN(C(=O)Cc1nnc(N)s1)[C@@H]1CCSC1 1263770907 RUTZXVUXCSFCGS-ZCFIWIBFSA-N 258.372 0.627 0 50 CCAA Cn1ccc(Cn2cc(S(C)(=O)=O)cn2)cc1=O 1120353465 MQPHGUPDIHNNKS-UHFFFAOYSA-N 267.310 0.034 0 50 CCAA Cc1ncc(CN(CCO)C(=O)CCn2cccn2)[nH]1 1704326501 YGFDVMRRFGPMCU-UHFFFAOYSA-N 277.328 0.326 0 50 CCAA CCN(C[C@H]1CCCO1)C(=O)N1CCS(=O)(=O)CC1 408397227 SKCJHZBFANYBEY-LLVKDONJSA-N 290.385 0.338 0 50 CCAA O=C(O)[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1C1CC1 262655416 LNDRZVUVSURKLG-NEPJUHHUSA-N 267.325 0.982 0 50 CCAA NC(=O)[C@@H]1CN(C[C@@H]2CC3CCC2CC3)CCO1 585116974 NYQDIUHJMNGTGI-TYUFSLCMSA-N 252.358 0.999 0 50 CCAA O=C(N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1cccnc1 1857700093 MNSSJRXJBLICAU-IHRRRGAJSA-N 291.351 0.036 0 50 CCAA CNc1cc(C(=O)N[C@H]2COCC[C@@H]2OC)ccn1 724903771 WGMVEVIPDDCYBS-QWRGUYRKSA-N 265.313 0.657 0 50 CCAA C[C@@H](c1ccccc1F)N(C)C(=O)CN1CCNCC1=O 237595085 CYDDRPNRYGAYJB-NSHDSACASA-N 293.342 0.777 0 50 CCAA CCn1nnc(C)c1CN1C[C@@H]2CN(C)C[C@]2(C)C1 933734805 WXCRTPGUFONBAS-GXTWGEPZSA-N 263.389 0.990 0 50 CCAA Cc1nccn1C[C@@H](C)CNC(=O)[C@@H]1CCCN(C)C1=O 871596518 MWVRXNFNUHSVRL-AAEUAGOBSA-N 292.383 0.812 0 50 CCAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cn(C)cn2)C1 888077851 ZAFURMIKIWTZGX-MWLCHTKSSA-N 275.312 0.745 0 50 CCAA Cc1cnn([C@@H]2[C@@H](NC(=O)CCc3cnc[nH]3)C[C@H]2O)c1 888076812 HSAZMJDUIDWPRE-OUCADQQQSA-N 289.339 0.338 0 50 CCAA CCCC[C@@H](CC(=O)O)NC(=O)Cn1cccnc1=O 426519220 ILSAGTZTKXDKSY-JTQLQIEISA-N 281.312 0.393 0 50 CCAA Cn1nc(C(=O)N2CCOCC2)c2ccccc2c1=O 609063 MKKCHGNZQWUQFK-UHFFFAOYSA-N 273.292 0.406 0 50 CCAA Cn1cnn(CC(=O)NCC2CC(C(F)(F)F)C2)c1=O 2325783016 TZHPSFXGTYFSTJ-UHFFFAOYSA-N 292.261 0.287 0 50 CCAA Cc1ccc(N(CC(N)=O)[C@@H]2SC(=O)NC2=O)cc1 1318001 CPIAGDQGPJXSIH-LLVKDONJSA-N 279.321 0.596 0 50 CCAA Cc1nc(C)n(CCCN=c2nc3ncn(C)c3c[nH]2)n1 2356148923 AAIKLOOHDGFTCE-UHFFFAOYSA-N 286.343 0.496 0 50 CCAA COCCN1Cc2nnc(-c3cc(C)[nH]n3)n2[C@@H](C)C1=O 2356157172 CTOCCXOFBOUVJV-VIFPVBQESA-N 290.327 0.526 0 50 CCAA COc1ccc(CN2CCOC(=O)C2=O)cc1OC 2864527 LCHLAEVWZIEYED-UHFFFAOYSA-N 265.265 0.589 0 50 CCAA COC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 9059098 XXBMPISPCSWPQS-UHFFFAOYSA-N 263.253 0.328 0 50 CCAA Cc1nc(C)c(C)c(N2CCN3CCN(C)C[C@H]3C2)n1 107670508 PDAGTAXHIKHDOX-AWEZNQCLSA-N 275.400 0.838 0 50 CCAA Cc1csc(CNC(=O)[C@H]2CCS(=O)(=O)C2)n1 68375490 OBDUUQKEABIQPJ-QMMMGPOBSA-N 274.367 0.502 0 50 CCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccsc1 1074563331 CTNUCADFQWIWIH-USZNOCQGSA-N 280.349 0.770 0 50 CCAA C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCO3)C(=O)O1 253430054 PKSXOFANHXJVQZ-VXNVDRBHSA-N 299.304 0.398 0 50 CCAA CCCCN1C[C@H](C(=O)NCCN2CCOCC2)CC1=O 20018259 KPVZFNVQJQCTPZ-CYBMUJFWSA-N 297.399 0.083 0 50 CCAA COCCn1ccnc1CN1CC[C@@H](COC)C1 216162113 ZPMCXBNVANAMCU-GFCCVEGCSA-N 253.346 0.998 0 50 CCAA Cc1cccc2c(=O)n(CCn3[nH]c(=O)ccc3=O)cnc12 32540532 YGKZMAAIDDFHLS-UHFFFAOYSA-N 298.302 0.255 0 50 CCAA Cn1[nH]c(CN2CCC[C@@](O)(C(F)(F)F)CC2)nc1=O 329156706 CUBADJWRUWTJNA-JTQLQIEISA-N 294.277 0.388 0 50 CCAA CCOC(=O)Cc1c(C)[n+]([O-])c2ccccc2[n+]1[O-] 34797763 VZALOCDNVQBMED-UHFFFAOYSA-N 262.265 0.521 0 50 CCAA CN1CCN(CC2CCN(Cc3cncn3C)CC2)CC1 215646039 RYINFUNNCYNKMY-UHFFFAOYSA-N 291.443 0.880 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)C(=O)c1cccnc1 71751187 ICNSTRGAMRQIOJ-QWRGUYRKSA-N 264.281 0.184 0 50 CCAA CO[C@@H](C)CS(=O)(=O)Nc1ccc2c(c1)C(=O)NC2 242389657 ZZJGTVHLSSHZHE-QMMMGPOBSA-N 284.337 0.707 0 50 CCAA COCC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 219973562 QBVDSVNTSOVSCU-GHMZBOCLSA-N 286.353 0.580 0 50 CCAA CCOC(=O)C[C@H]1CCCCN1C(=O)Cn1cncn1 77343086 CUQBPLWGLHRQTB-LLVKDONJSA-N 280.328 0.612 0 50 CCAA Cc1nc(CC(=O)N[C@@H]2C=CS(=O)(=O)C2)cs1 77489271 QKYUJQDDKPPALL-MRVPVSSYSA-N 272.351 0.421 0 50 CCAA CN(C)CCN(C)C(=O)[C@@H]1CCCO[C@H]1c1nccn1C 611824011 XKMFXIGZAVDYOX-CHWSQXEVSA-N 294.399 0.908 0 50 CCAA CCOC(=O)N1CCC(N2CC[C@H]3CNC[C@H]32)CC1 426738986 DZPYSPVKFVLUQX-WCQYABFASA-N 267.373 0.901 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCCC[C@@H]2CO)cn1C 426723883 OCGNEMFQQICOAN-LLVKDONJSA-N 264.325 0.681 0 50 CCAA Cc1ccn2c(C(=O)NC[C@@H]3CCCO3)nnc2n1 426443085 DEQORYFFBDSVCQ-VIFPVBQESA-N 261.285 0.342 0 50 CCAA C[C@@H](C(=O)NCCc1ccco1)N1CCN(C)CC1 338049949 YVEWAHCWIVCHGT-LBPRGKRZSA-N 265.357 0.574 0 50 CCAA C[C@H](CN(C)C(=O)NCc1ncc[nH]1)N1CCOCC1 426613688 XATPANQRMFOLPJ-LLVKDONJSA-N 281.360 0.272 0 50 CCAA COCC1(C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 339880804 QYRIEKOEBYWNET-SECBINFHSA-N 261.343 0.106 0 50 CCAA CC(C)Cc1cc(C(=O)NCCc2noc(CO)n2)[nH]n1 244707864 KIWMMNPZPPUGTB-UHFFFAOYSA-N 293.327 0.456 0 50 CCAA C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ncc[nH]1 385352893 CZLUWOOCNKPTNV-NXEZZACHSA-N 270.358 0.267 0 50 CCAA NC(=O)c1cc(NC2=CC(=O)NC2)ccc1-n1cccn1 524733643 ZNOUTFIYVBINCK-UHFFFAOYSA-N 283.291 0.397 0 50 CCAA Cn1cc(Cl)c(C(=O)NCC[C@]2(O)CCCOC2)n1 628009174 JRPMJSOQPSQXEB-GFCCVEGCSA-N 287.747 0.735 0 50 CCAA CN1CCN([C@H]2COC[C@@H]2NC(=O)C2CCCC2)CC1 534651130 JTXJMBORXRUZBE-KBPBESRZSA-N 281.400 0.308 0 50 CCAA COCn1nc(Br)nc1C(=O)OC 665887145 AJGJLJZUIIGEDX-UHFFFAOYSA-N 250.052 0.431 0 50 CCAA CCNC(=O)N1CCC(NC(=O)C[C@H]2CCOC2)CC1 670469707 IHFPYUQUSPETDR-LLVKDONJSA-N 283.372 0.723 0 50 CCAA CC(C)[C@H]1OCCC[C@H]1C(=O)NCc1cncnc1N 408474648 ITNCEUBABYTGNP-VXGBXAGGSA-N 278.356 1.126 0 50 CCAA Cn1nccc1CC(=O)OCCN1CCCCC1=O 170615547 YODYQPZSAOOGQW-UHFFFAOYSA-N 265.313 0.518 0 50 CCAA CC1(O)CN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 277739686 MCRYITSEOAKYPU-MRVPVSSYSA-N 251.286 0.120 0 50 CCAA CC(F)(F)CC(=O)N1CCC[C@@](O)(CC(N)=O)C1 644000084 ASRIRBWJQOSZKQ-LLVKDONJSA-N 264.272 0.261 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)Nc1nccn(C)c1=O 191911600 PPICIIOBLIIPLP-DTWKUNHWSA-N 251.286 0.534 0 50 CCAA CC1(C)OCC(NC(=O)c2n[nH]c3c2CCC3)CO1 754652329 DHAIRCCZJBDYJS-UHFFFAOYSA-N 265.313 0.780 0 50 CCAA Cc1ccc(O)c(CN2CC[C@](O)(Cn3ccnn3)C2)n1 671491548 YZEUGLCJCVUSMB-CQSZACIVSA-N 289.339 0.324 0 50 CCAA CCOCCOCCN1CCN(C)[C@@H](c2nc(C)no2)C1 585117425 CHIOPPNMUXHVKD-CYBMUJFWSA-N 298.387 0.720 0 50 CCAA CCc1c(C(=O)N2C[C@@H]3CCC[C@]3(N)C2)nnn1CC 1615622328 GNVXGNIQUSQQTG-HZMBPMFUSA-N 277.372 0.814 0 50 CCAA CCNc1cccnc1C(=O)NCCN1CCCOCC1 1616040294 DRGNEONPXHQKQR-UHFFFAOYSA-N 292.383 0.966 0 50 CCAA Cc1csc(CN(C)C(=O)c2cnc(O)nc2O)n1 1506420787 CMBVMBQCJJYPLA-UHFFFAOYSA-N 280.309 0.925 0 50 CCAA O=C(/C=C/c1cc(CO)cs1)N1C[C@H](O)CO1 1506410453 KVUVGYCEUARLFI-VWCDRPFISA-N 255.295 0.388 0 50 CCAA CC(C)(C)SCC(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1 225482375 LQFOURJVTFDLGJ-VHSXEESVSA-N 286.397 0.634 0 50 CCAA Cc1cc(CN(C)C(=O)[C@H]2C[C@@H](N)[C@H](O)C2)ccn1 1857732148 FAHORJAZMKLILW-YNEHKIRRSA-N 263.341 0.447 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2ccccc2C#N)C[C@@H]1O 216808339 ITPJCICHYGXWHP-ZFWWWQNUSA-N 274.320 0.906 0 50 CCAA CC(C)c1nocc1C(=O)N1CCOC2(CNC2)C1 638437571 OAYLWVZQGCVJQP-UHFFFAOYSA-N 265.313 0.612 0 50 CCAA COc1cc(NC(=O)N[C@@H]2CCNC2(C)C)ncn1 333147591 MBONZRCLICZJOQ-MRVPVSSYSA-N 265.317 0.747 0 50 CCAA Cn1ncn(CC(=O)Nc2ccccc2Cl)c1=O 334255575 OBZGDADMYQESFL-UHFFFAOYSA-N 266.688 0.874 0 50 CCAA CC(=O)N1CC[C@](C)(C(=O)Nc2cn(C)nc2C)C1 746856089 BOVYJFOCWCIUDU-ZDUSSCGKSA-N 264.329 0.926 0 50 CCAA Cc1ncc(Cl)c(NCC(=O)N2CCNCC2)n1 1772702993 AWQOANDDUFXPID-UHFFFAOYSA-N 269.736 0.282 0 50 CCAA CN1C[C@@H](CN2CCC3(CC2)CC(=O)N(C)C3)CCC1=O 1775980505 CBZGMLNNTICNSO-ZDUSSCGKSA-N 293.411 0.799 0 50 CCAA O=C(CC1=CCCC1)N1C[C@H]2CNC[C@@]2(CO)C1 1772818829 LVCMWMDAUOOPCQ-OCCSQVGLSA-N 250.342 0.527 0 50 CCAA CN(C)Cc1cccc(CN2CC[C@H](CO)[C@H](O)C2)c1 1875245788 RETFVLYFWOHBPG-HZPDHXFCSA-N 278.396 0.923 0 50 CCAA C[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)O 34456 FIGWKCMUEACGHJ-RXMQYKEDSA-N 287.322 0.443 0 50 CCAA biogenic,in-vitro C[C@@H]1CCN(S(=O)(=O)c2ccnn2C)[C@H]([C@@H](C)O)C1 408425996 ILANNUFWZGQXCD-MXWKQRLJSA-N 287.385 0.590 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)CN2CSCC2=O)C12CCC2 152135247 VKSTZTWBRJISHT-WDEREUQCSA-N 298.408 0.983 0 50 CCAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccc[nH]3)C[C@@H]12 1704302407 JUDKBODYFVRCGC-UKRRQHHQSA-N 277.368 0.934 0 50 CCAA O=C1CN(Cc2nnnn2C2CC2)[C@H](c2ccccc2)CN1 933329559 MFUFAVDIBVITKY-ZDUSSCGKSA-N 298.350 0.681 0 50 CCAA O=C(N[C@@H]1CCOC[C@@H]1N1CCCC1)O[C@@H]1CCOC1 952877540 QXMHHQQHZNEMHI-UPJWGTAASA-N 284.356 0.755 0 50 CCAA O=C(C1CSC1)N1CCOC[C@H]1c1cc[nH]n1 1875330064 LBCXNWWZYLOHFW-JTQLQIEISA-N 253.327 0.673 0 50 CCAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c(C)n2)C1 1875371077 ODUMKKZFRAUMPH-SECBINFHSA-N 263.301 0.476 0 50 CCAA COC(=O)/C=C/CNC(=O)c1nnn([C@@H]2CCOC2)c1C 1875333438 UWMGWVLUJQJXGY-HMDXOVGESA-N 294.311 0.007 0 50 CCAA CCS(=O)(=O)N1CCN(C2=NCCS2)CC1 1775991620 SEAZVXAWSIUQTG-UHFFFAOYSA-N 263.388 0.057 0 50 CCAA O=C(C[C@H]1CCCO1)N1CCCC[C@H]1Cc1nn[nH]n1 1775987586 DXWQQGFWKMWXTG-WDEREUQCSA-N 279.344 0.692 0 50 CCAA CCc1nccn1CCNC(=O)c1nc(C)nn1C 1776005890 OQAKUNVZIWEAHS-UHFFFAOYSA-N 262.317 0.312 0 50 CCAA O=S(=O)(c1cncc(F)c1)N1CC[C@H]2CNC[C@H]2C1 261608314 RVDCAIGAQXLOMI-UWVGGRQHSA-N 285.344 0.451 0 50 CCAA CC[C@H](C)CC(=O)C(=O)NC(C)(C)C(=O)N(C)C 2325813766 VIUOFZXENTZBEU-VIFPVBQESA-N 256.346 0.975 0 50 CCAA N=c1[nH]c2ccccc2cc1C(=O)N[C@]1(CO)C[C@H](O)C1 2325854303 WVCDLKBJBQBRGD-AVCCJPFPSA-N 287.319 0.263 0 50 CCAA COCC[C@H]1CNCCN1Cc1cc2n(n1)CCC2 903837145 DFKJIWLCPPELMA-AWEZNQCLSA-N 264.373 0.640 0 50 CCAA O=C(O)[C@H](Cc1cnc[nH]1)N1C(=O)c2ccccc2C1=O 129993 CTUUVOUXZNQMSU-NSHDSACASA-N 285.259 0.702 0 50 CCAA in-vitro O=C(N1CCN(c2ncccn2)CC1)C(F)(F)F 204960 WCMVNWLWFQNPTM-UHFFFAOYSA-N 260.219 0.688 0 50 CCAA COc1cc(/C=N/Nc2nnn[nH]2)cc2c1OCO2 4737793 BYFBPCMFCWIKSE-NYYWCZLTSA-N 262.229 0.383 0 50 CCAA CC1=NNc2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2C1 6665001 ASPVDNQTJHIVDI-UHFFFAOYSA-N 290.327 0.354 0 50 CCAA CCN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1 8606840 HIZHVNCAMFEBIZ-UHFFFAOYSA-N 262.357 0.791 0 50 CCAA O=C(CN1CCN(c2ncccn2)CC1)NC1CCCC1 55378831 PQYPYUGUSBAZKS-UHFFFAOYSA-N 289.383 0.657 0 50 CCAA COCC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 22467762 JMRUCLYQWXLQHW-UHFFFAOYSA-N 291.351 0.659 0 50 CCAA Cn1cncc1CN1Cc2ccccc2C[C@H]1C(N)=O 119744405 VGOMWGHAKQUEMN-AWEZNQCLSA-N 270.336 0.832 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cc(O)no2)[C@H]2CCO[C@H]21 1074579924 IXGXGXQGZRKRHP-GJOTXNKNSA-N 268.269 0.160 0 50 CCAA CCCC(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CCN=C1O 328887204 OMDIGLXDUNKTSL-NXEZZACHSA-N 299.396 0.875 0 50 CCAA COC1(C(=O)NC[C@H](O)c2ccc(F)cc2)CCNCC1 151450813 PHVUHGXNYPWODH-ZDUSSCGKSA-N 296.342 0.744 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N2CCCCC2)[C@H]1CN 252209664 VZOHNCFJGSHKJN-RYUDHWBXSA-N 275.418 0.776 0 50 CCAA COC(=O)[C@@H]1CC12CCN(CCN1CCO[C@H](C)C1)CC2 253396812 HJNVXLDARLTBCP-KGLIPLIRSA-N 296.411 0.982 0 50 CCAA c1cnnc(NC[C@H]2CN(C[C@H]3CCOC3)CCO2)c1 257366110 JUJWGPRFHCYFFI-OLZOCXBDSA-N 278.356 0.626 0 50 CCAA C[C@@H](NS(=O)(=O)c1cccc(N(C)C)c1)C(=O)O 262610259 VJIASCPJRDMREY-MRVPVSSYSA-N 272.326 0.504 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC(=O)N1C 282524203 ZHKAAKOWVXDIDU-NXEZZACHSA-N 276.340 0.519 0 50 CCAA C[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCO2 331893318 ONGVKWZLOZYOIC-IUCAKERBSA-N 285.321 0.559 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 285638231 FGIVGHLBSNJYGJ-VXGBXAGGSA-N 263.341 0.868 0 50 CCAA CN1CC(=O)N(C[C@H]2CCCN(c3ncccn3)C2)C1=O 370225331 SOLQBTPOUMMZKA-NSHDSACASA-N 289.339 0.587 0 50 CCAA Cc1nc(CC(=O)N2CC[C@@]3(CC(=O)NC3=O)C2)cs1 77380460 OVQXFVRMOKNSME-CYBMUJFWSA-N 293.348 0.259 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCCOC1CCOCC1 262366076 FDNBLHUKLPFDJY-GHMZBOCLSA-N 271.313 0.409 0 50 CCAA COC[C@H](NC(=O)CN1CCCC1)c1ccccn1 219179628 CRPHNJPXJXENGS-ZDUSSCGKSA-N 263.341 0.981 0 50 CCAA COCCn1nc(C)c(CNC(=O)[C@H]2C[C@@H]2C(=O)O)c1C 299751086 PKZUITYBDXLNFU-QWRGUYRKSA-N 295.339 0.483 0 50 CCAA CN1CC[C@H]2OCCN(c3nccn4cnnc34)[C@@H]2C1 284452271 CVFBSWXWMLYFSE-GHMZBOCLSA-N 274.328 0.034 0 50 CCAA NC(=O)[C@@]1(O)CCCN(c2ncccc2C(F)(F)F)C1 284494387 CPEGHXHMMMFLPV-LLVKDONJSA-N 289.257 0.917 0 50 CCAA CC(C)c1cc(C(=O)N2CC[C@@]3(CC(=O)NC3=O)C2)no1 77377490 WQKQTEXGSNJDLU-CQSZACIVSA-N 291.307 0.677 0 50 CCAA COCc1cccc(CN2CCO[C@H](C)[C@H]2C(N)=O)c1 284651929 PLKLZUCVEFHMQB-RISCZKNCSA-N 278.352 0.908 0 50 CCAA COC(=O)[C@@]12C[C@H]3C[C@@H](C[C@@](C(=O)OC)(C1)C3=O)C2=O 195528818 AGCGBVXRBQTMPO-ZPAAZFHLSA-N 280.276 0.277 0 50 CCAA COCCc1noc([C@H](C)NC(=O)NC(C)(C)CO)n1 426574912 ZTLBNPIWFISVHM-QMMMGPOBSA-N 286.332 0.390 0 50 CCAA Cc1ccc([C@@H](C)NC(=O)CN2CCOCC2)nc1 223197878 LKHVSZBOJMGRFB-GFCCVEGCSA-N 263.341 0.899 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)c1cnc(OC)nc1 426414769 UFOHGQLBKKIJFF-UHFFFAOYSA-N 280.328 0.520 0 50 CCAA CCN1CCC[C@@](C)(C(=O)NCCc2cnn[nH]2)C1 426599016 UGHFHILYRUCSTJ-CYBMUJFWSA-N 265.361 0.585 0 50 CCAA Cc1cc(C)n(C2CN(Cc3cn[nH]c3C(=O)O)C2)n1 97553237 AOBYDFNJKKMXMQ-UHFFFAOYSA-N 275.312 0.978 0 50 CCAA CN(Cc1ccc2nonc2c1)C(=O)Cn1cccnc1=O 97657376 IFRRXIBYZXLDOC-UHFFFAOYSA-N 299.290 0.438 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@H]2CNC[C@]2(C(=O)O)C1 238135672 ZSVSNUDKCSHAQF-ZANVPECISA-N 270.329 0.918 0 50 CCAA COCCn1cc(N[C@H](CS(C)(=O)=O)C2CC2)cn1 294692576 IPWZXTWEGWDEHP-GFCCVEGCSA-N 287.385 0.765 0 50 CCAA CC1(C)COC[C@H]1NC(=O)N[C@@H]1CCN(C2CCC2)C1=O 624170212 NGDRODUORJUUAY-VXGBXAGGSA-N 295.383 0.864 0 50 CCAA CCN1C[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](OC)C1 534651033 KRXZOVVBASZELF-KBPBESRZSA-N 298.408 0.825 0 50 CCAA CC(C)[C@H](NC(=O)N1CC(O)C1)c1nccn1C 534593359 OMBMTXIJFCFXIX-JTQLQIEISA-N 252.318 0.503 0 50 CCAA COc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](O)CO[C@H]23)c(C)c1 1940198338 GWNDLEZDWNIZCI-IGQOVBAYSA-N 293.319 0.261 0 50 CCAA CCCn1cnnc1CNC(=O)CSc1nnc(C)o1 823031339 TVHATWYGOUAYJE-UHFFFAOYSA-N 296.356 0.788 0 50 CCAA Cc1nc2c([nH]1)CN(CC(=O)N1C[C@H](C)O[C@H](C)C1)CC2 825031315 XJFCSOYUPLURPU-PHIMTYICSA-N 292.383 0.712 0 50 CCAA CC(C)C(=O)NCC(=O)N(C)C[C@@H]1CCN(C)C1(C)C 584896854 NEDQMHJBWZPNMO-LBPRGKRZSA-N 283.416 0.947 0 50 CCAA Cc1sc2ncn([C@H]3CNC[C@@H]3O)c(=O)c2c1C 1565531453 ODSPYZRRMPLNEK-IUCAKERBSA-N 265.338 0.580 0 50 CCAA Cc1nc([C@@H](N)C2(O)C[C@@H]3CC[C@H](C2)N3)cn1C 958527750 GJFWUWUXTOKBLT-IRZOWQPXSA-N 250.346 0.374 0 50 CCAA NC(=O)c1cccnc1NCCN1CCCC[C@@H]1CO 952863032 AOMYBUSRCBPEJX-LLVKDONJSA-N 278.356 0.439 0 50 CCAA Cc1cnc(CNCCN2CCC[C@H](CO)C2)[nH]1 952984423 VAUQISASZILPEY-LBPRGKRZSA-N 252.362 0.512 0 50 CCAA O=C(O)[C@H]1CCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 408518793 ULPVJRSSXBDZEY-XQQFMLRXSA-N 296.367 0.705 0 50 CCAA NC(=O)C1CCN(C(=O)Cc2ccc3[nH]ncc3c2)CC1 279720112 URHKOCGLJMBXAL-UHFFFAOYSA-N 286.335 0.829 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2cnn(C)c2)CC1 188656547 CBASNWLCICLPFJ-JSGCOSHPSA-N 292.383 0.884 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@](O)(Cn2ccnn2)C1 793975416 LJCIBBNRBYQNRG-GFCCVEGCSA-N 268.317 0.650 0 50 CCAA NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCC1CC1 1616038027 DKMOLSKXMHQAEW-STQMWFEESA-N 292.335 0.580 0 50 CCAA N=c1nn[nH]n1CC(=O)NC1(c2cccc(Cl)c2)CC1 1506428687 YBSLDERBJNQZMY-UHFFFAOYSA-N 292.730 0.545 0 50 CCAA O[C@@H]1CN(c2cnccn2)C[C@H]1Cc1cnccn1 1529106612 QDXQESDWHVYQDI-ZYHUDNBSSA-N 257.297 0.306 0 50 CCAA CCOc1ccccc1CNS(=O)(=O)c1nnn(C)n1 1875289735 LKWCNGUFMBAWQE-UHFFFAOYSA-N 297.340 0.087 0 50 CCAA CCc1nc(=N[C@@H]2CCC(=O)N[C@H]2C2CC2)s[nH]1 376421730 QWMSTCJJACVHRD-KCJUWKMLSA-N 266.370 0.992 0 50 CCAA Cc1cc(C)c(C(=O)N(CCO)CC(F)F)c(=O)[nH]1 231334568 OZQZOXCSSMNLSZ-UHFFFAOYSA-N 274.267 0.691 0 50 CCAA Cc1nc(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)n(C)c1C 1857669051 XROBZILVZHVSAJ-SWLSCSKDSA-N 293.367 0.960 0 50 CCAA Cn1ccnc1[C@@H](O)C1CCN(c2n[nH]c(=N)s2)CC1 1857683186 XIUAVNQPODINMQ-VIFPVBQESA-N 294.384 0.634 0 50 CCAA CCn1nc(CC(=O)NC)nc1[C@@H]1CCn2nccc2C1 1857701712 UOHAKYZWTQJTJG-SNVBAGLBSA-N 288.355 0.513 0 50 CCAA Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4187460 NUCLJVGPKPYCHU-LLVKDONJSA-N 253.323 0.912 0 50 CCAA Cc1nc(CN2CCCC[C@H]2C(=O)N2CCOCC2)n[nH]1 428251430 ZOLUCNLEEPQYMO-LBPRGKRZSA-N 293.371 0.326 0 50 CCAA CCn1nncc1CN1CCC[C@](O)(CC(=O)N(C)C)C1 643751849 CZWHUZRSBNSEDA-AWEZNQCLSA-N 295.387 0.103 0 50 CCAA Cc1n[nH]cc1CN1CC[C@@H](N=c2ccc3nccn3[nH]2)C1 548349835 ZFMMKKDXIMPPBT-CYBMUJFWSA-N 297.366 0.869 0 50 CCAA COCCN1CN(C(=O)NC[C@@H]2CC[C@H](C)C2)CC1=O 252478073 ACDYXUWIKNGGPI-NWDGAFQWSA-N 283.372 0.880 0 50 CCAA O=C(Nc1nnnn1C1CC1)c1cnn(CC2CC2)c1 905844120 CGDZKSVITGDKTP-UHFFFAOYSA-N 273.300 0.867 0 50 CCAA CCn1ncc(C(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)n1 854435228 UTXXFOBGELUXOA-VIFPVBQESA-N 291.315 0.489 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCCC[C@@H]1C(=O)CC 860491652 RVNKRRYRNUYZFA-LLVKDONJSA-N 266.341 0.991 0 50 CCAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cc[nH]c3)CC2)O1 952888163 FRTQLNMEZFHUSV-QWHCGFSZSA-N 291.351 0.900 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cnn(CC(F)(F)F)c1 1875273300 MZJBATZFDNGLAM-NSCUHMNNSA-N 291.229 0.904 0 50 CCAA O=C(N[C@H]1C[C@@]12CC2(F)F)C1(n2ccnn2)CC1 1875404501 KXXONGKQGCSVMV-IONNQARKSA-N 254.240 0.681 0 50 CCAA Cc1ncncc1C(=O)N[C@H]1CCO[C@@H]1c1cc[nH]n1 888077046 GCWJQBKQGBOKBZ-JQWIXIFHSA-N 273.296 0.768 0 50 CCAA CO[C@@H]1CCN(Cc2nc(C(=O)N3CCCO3)co2)C1 888095745 XHBHFBKFKJRURJ-SNVBAGLBSA-N 281.312 0.673 0 50 CCAA O=C(N[C@@]12CCC[C@H]1NCC2)C1=C2CCN=C2NC=C1 1775599688 CALHWWHNMNBTOR-IUODEOHRSA-N 272.352 0.603 0 50 CCAA O=C(C[C@@H]1COCCN1)NCc1cnc2c(c1)CCC2 72157435 ZLRWBECTNXTPDV-CYBMUJFWSA-N 275.352 0.565 0 50 CCAA Cc1n[nH]cc1S(=O)(=O)N1C[C@H]2CCC[C@]2(N)C1 622015024 OTWIVFWGDQDRKY-KOLCDFICSA-N 270.358 0.220 0 50 CCAA Cc1nnsc1Cn1cc(S(C)(=O)=O)cn1 901603684 QOUMRHMFNCRKEH-UHFFFAOYSA-N 258.328 0.495 0 50 CCAA CNC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 2325746285 LNQNGQUQEGGBSQ-CYBMUJFWSA-N 298.364 0.187 0 50 CCAA Cn1nnc(NC(=O)c2ccc(Br)o2)n1 2395536 OZQWDLPNANJKQF-UHFFFAOYSA-N 272.062 0.818 0 50 CCAA C/C(Nc1ccc(O)cc1)=C1\C(=O)NC(=O)N(C)C1=O 3879001 INMNHQQAFLZTAZ-YFHOEESVSA-N 275.264 0.786 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1occc1C 67458951 VKFXKPOIZZISMA-ZJUUUORDSA-N 265.313 0.266 0 50 CCAA CNC(=O)[C@H](C)CN(C)c1ncnc(Cl)c1NC 136055922 MNMJZKPCFRNRLU-SSDOTTSWSA-N 271.752 0.990 0 50 CCAA COC[C@@H](C)C(=O)N1CCO[C@H](CN(C)CC2CC2)C1 328628213 GZKDBZNRZGXHIM-TZMCWYRMSA-N 284.400 0.838 0 50 CCAA Cc1cc(C(=O)NCCNc2cccnc2)nc(N)n1 67541001 VJYYTZMAAPJPSC-UHFFFAOYSA-N 272.312 0.604 0 50 CCAA CN(CC1CC1)C[C@H]1CN(C(=O)c2ccon2)CCO1 328656366 ZGKDWAVTTXXKAU-LBPRGKRZSA-N 279.340 0.857 0 50 CCAA CC(=O)[C@H](NC(=O)CN1C[C@H](C)OC[C@H]1C)C(C)C 252470023 MYJXYRXCZFWPPR-UHIISALHSA-N 270.373 0.825 0 50 CCAA CCCn1nc(C)c(CNC(=O)[C@H]2COCCO2)c1C 67804486 XCNHJDALGDOGAD-CYBMUJFWSA-N 281.356 0.942 0 50 CCAA COCCn1ccnc1CN(C)Cc1cnccn1 216402635 HTVBRUVENLXYHB-UHFFFAOYSA-N 261.329 0.952 0 50 CCAA COc1cnc(NC(=O)C(=O)N2CCCSCC2)nc1 328596612 IEWHYRIQFIECME-UHFFFAOYSA-N 296.352 0.389 0 50 CCAA C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cc[nH]c(=O)c1 155923475 WJKZUBVQCIFXFV-MWLCHTKSSA-N 266.297 0.299 0 50 CCAA NC(=O)CCN1CCN(Cc2ccc(Cl)o2)CC1 215143594 IOYCQVPBQQLDIV-UHFFFAOYSA-N 271.748 0.926 0 50 CCAA O=C(NC[C@@H]1COCCO1)c1ncc(F)cc1F 215694534 VPNGKDUBCIFPLE-MRVPVSSYSA-N 258.224 0.505 0 50 CCAA C[C@@H](CN)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 262736792 AQDYXKVNOORJOL-LURJTMIESA-N 283.275 0.726 0 50 CCAA CCOCCN1CCN(S(=O)(=O)NC2CC2)C[C@H]1C 331915796 DVIQVFZNEKSRPI-LLVKDONJSA-N 291.417 0.026 0 50 CCAA Cc1nc(C(=O)N[C@@]2(CO)CCOc3ccccc32)no1 374243678 JDUQDSIQUIEKEF-CQSZACIVSA-N 289.291 0.778 0 50 CCAA COCCOC1CN(C(=O)N=c2cc[nH]c(C)c2)C1 332462323 PWSLECNEIWFFHU-UHFFFAOYSA-N 265.313 0.691 0 50 CCAA COC(=O)c1ccc(NC(=O)[C@@H]2CCOC2)nc1 282656390 IHIKSLKHJJLENA-SECBINFHSA-N 250.254 0.843 0 50 CCAA CCCCOCC(=O)N1CCO[C@]2(CNCCOC2)C1 72166741 SRLPZBLKSDJKPH-CQSZACIVSA-N 286.372 0.021 0 50 CCAA Cc1ncc(C(=O)NC2(CC(=O)O)CCCCC2)c(=O)[nH]1 219503747 CQAZBDOIEFDDHA-UHFFFAOYSA-N 293.323 0.986 0 50 CCAA O=C(N[C@@H]1CCCNC1)N1CCc2ccnc(O)c2C1 333739039 XHJNCSDUDPLNKX-LLVKDONJSA-N 276.340 0.607 0 50 CCAA C[C@@H](NC(=O)[C@H]1COCCN1)c1nc2ccccc2n1C 237444164 KHDKHLCFIDYLFV-ZYHUDNBSSA-N 288.351 0.739 0 50 CCAA Cc1cnn(Cc2cc(C(=O)N3CCNCC3)no2)c1 237910568 HUSWXQJGCPSPCN-UHFFFAOYSA-N 275.312 0.273 0 50 CCAA C[C@@H]1CN(C(=O)c2ccnc3ccncc23)C[C@H]1C(N)=O 285463514 KCTSYWTUNQXTCJ-BXKDBHETSA-N 284.319 0.823 0 50 CCAA O=S1(=O)CC[C@H]2CN(CCO[C@H]3CCCCO3)C[C@H]21 242048161 VTJGENOVBSDYDJ-XQQFMLRXSA-N 289.397 0.649 0 50 CCAA Cc1cc(CNC(=O)c2nnc3nc(C)ccn23)on1 426632837 DLMKMXKSMDZARW-UHFFFAOYSA-N 272.268 0.659 0 50 CCAA N[C@@H]1CCCCN(C(=O)CCc2nc(Cl)n[nH]2)C1 82099798 ZBPAYWXSTDJRNX-MRVPVSSYSA-N 271.752 0.731 0 50 CCAA Cc1ccc(CN2CCN(C(=O)CO)C[C@H](O)C2)cc1C 97729988 BMSPBGKDNGFIEX-OAHLLOKOSA-N 292.379 0.301 0 50 CCAA O=C(NCCc1cnn[nH]1)c1cnc(-c2ccccn2)nc1 426684023 YZZLPTNBZQNBBE-UHFFFAOYSA-N 295.306 0.629 0 50 CCAA NC[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 238045529 ZAGODEGKAWKJMP-OQHXTRMZSA-N 273.336 0.748 0 50 CCAA CN1CCC[C@H]1CN1CCN(c2nc[nH]n2)CC1 243893548 ARZXICCGYNRMLY-NSHDSACASA-N 250.350 0.021 0 50 CCAA CC(C)n1nccc1C(=O)NCCCn1ccnn1 343841594 HXHHBRQIJFBVLQ-UHFFFAOYSA-N 262.317 0.876 0 50 CCAA COC(=O)c1cn(C[C@H]2CCCO2)cc2c(=O)[nH]nc1-2 253399901 DKVNYGNBABSNAV-MRVPVSSYSA-N 277.280 0.642 0 50 CCAA CC(C)c1cc(C(=O)N2CCOC[C@@H]2C(=O)O)n(C)n1 299750784 OJULZKYQZWAWBW-LLVKDONJSA-N 281.312 0.469 0 50 CCAA O=C1Nc2c(F)cccc2C(=O)N2C[C@H](O)C[C@@H]12 534646008 SSGHQPAREMKLGX-MUWHJKNJSA-N 250.229 0.353 0 50 CCAA N=c1nc(N2CC[C@@H]3NCCC[C@@H]3C2)c2nc[nH]c2[nH]1 1857668402 LXBRWHUETBLOBE-BDAKNGLRSA-N 273.344 0.344 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CC1CCNCC1 824504879 RMOKHTJQIPQCGZ-KBPBESRZSA-N 283.416 0.600 0 50 CCAA C[C@H](NC(=O)N1CCOCC1)c1nnc(N)s1 584897127 BLVDZLHSVARPTP-LURJTMIESA-N 257.319 0.223 0 50 CCAA CN1CCN(C(C)(C)CNC(=O)CCc2cn[nH]c2)CC1 584887384 BYZQWGLIODEGQC-UHFFFAOYSA-N 293.415 0.485 0 50 CCAA O=C(CCC(F)(F)F)N1C[C@H](O)[C@@H](N2CCCC2)C1 584901252 FEBXRVUSEUUVMO-UWVGGRQHSA-N 280.290 0.996 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1n[nH]c(C)c1Cl 584889420 OZFBLJZDNQDOJQ-IUCAKERBSA-N 286.763 0.820 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)C1(COC)CCC1 584887421 KPUIRCMTRXXEIX-LLVKDONJSA-N 296.371 0.918 0 50 CCAA c1cc(-n2ncnc2CCCn2cncn2)ccn1 670448950 VNOCUHMJWFSIJE-UHFFFAOYSA-N 255.285 0.887 0 50 CCAA Cc1c[nH]cc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942198 OEVUEEQVRMAWRU-NWDGAFQWSA-N 276.296 0.622 0 50 CCAA CO[C@H]1COC[C@@H]1Nc1cc(C)nc(N2CCOCC2)n1 952860337 MPHZBWOWPIKPAF-RYUDHWBXSA-N 294.355 0.447 0 50 CCAA CCOC(=O)[C@@H](C#N)C(=O)CNC(=O)c1ccc(C)cc1 214282710 KXHPGBQPJZENNV-LBPRGKRZSA-N 288.303 0.997 0 50 CCAA CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H](O)C1(C)C 408081797 WKARTRNQUJJCNJ-IJLUTSLNSA-N 268.357 0.663 0 50 CCAA COc1ccc(OC)c(CC(=O)N2CC(C)(O)C2)c1 277729568 KYRCQLVQTVWVKW-UHFFFAOYSA-N 265.309 0.840 0 50 CCAA COC[C@H](O)CN(C)C(=O)c1ccc(-c2ncn[nH]2)cc1 186006444 WJSRNSOMPXKAKV-GFCCVEGCSA-N 290.323 0.551 0 50 CCAA CCc1nc(C)cc(N2CCC[C@@](O)(c3cnn[nH]3)C2)n1 583616874 POUHBHNTNYWWEA-AWEZNQCLSA-N 288.355 0.954 0 50 CCAA CC[C@H]1CN2CCC[C@H]2CN1C(=O)CCc1nn[nH]n1 631567381 GDQOPNGRNQOODL-QWRGUYRKSA-N 278.360 0.218 0 50 CCAA O=C(N=c1[nH][nH]cc1C1CC1)c1ccc2c(c1)B(O)OC2 585003993 UYWUVLVJJJVEFW-UHFFFAOYSA-N 283.096 0.179 0 50 CCAA O=C(Nc1ccc(-n2cncn2)nc1)C1(O)CCC1 681231017 OCDCJJLXFGLXLC-UHFFFAOYSA-N 259.269 0.516 0 50 CCAA NC(=O)c1c[nH]c(C(=O)N(C[C@@H]2CCCN2)C2CC2)c1 190745028 SKIYSNGCCSQUGW-JTQLQIEISA-N 276.340 0.470 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cnc(C)nc1C 643939869 UYSJQLLFWLENAG-CQSZACIVSA-N 292.339 0.200 0 50 CCAA CCOC(=O)c1ccc(CNC(=O)c2cc(O)n(C)n2)o1 597358329 JRUAPGUTSZAQFY-UHFFFAOYSA-N 293.279 0.825 0 50 CCAA CN(CC(=O)O)S(=O)(=O)c1cccc(CC(=O)O)c1 575064223 XCPZKHQVSNEUMS-UHFFFAOYSA-N 287.293 0.019 0 50 CCAA CCN(C)c1cc(NC[C@@]2(O)CCNC2)ncn1 1704305583 LSCZYBURCBLZKR-GFCCVEGCSA-N 251.334 0.069 0 50 CCAA NC(=O)Cn1cc2c(-c3ccccc3)n[nH]c(=O)c2n1 1908500618 QWJBWNSNHXOWJT-UHFFFAOYSA-N 269.264 0.272 0 50 CCAA O=C(O)c1nccnc1NCCCN1CCC[C@H](O)C1 1506430623 XWKWVUXSHXDCTP-JTQLQIEISA-N 280.328 0.434 0 50 CCAA CN(Cc1ccc(N(C)C)nc1)C[C@H]1COCCO1 215761853 PGEAWPRGVLRIFA-ZDUSSCGKSA-N 265.357 0.995 0 50 CCAA CCN1CCC[C@H](CN(C)C(=O)NCCC(=O)O)C1 1506405380 ZXDOONUJFHWQIJ-LLVKDONJSA-N 271.361 0.834 0 50 CCAA CNC(=O)CCN(C)[C@H](C)Cn1nc(C)cc1C 1506407056 NZGQQUCNBUPGSK-GFCCVEGCSA-N 252.362 0.956 0 50 CCAA CCS(=O)(=O)CCNc1nccnc1N(C)C 1704337351 VIZXLSLIIOQNDQ-UHFFFAOYSA-N 258.347 0.389 0 50 CCAA COc1cc(CN2C[C@H]3[C@@H](C2)C3(CO)CO)ccn1 1772809502 XPPCSSBSCYYXLW-TXEJJXNPSA-N 264.325 0.123 0 50 CCAA CN1CCC2(CC1)CN(C(=O)C[C@H]1CCCN1C)CCO2 1772807990 DPPWRRPHDOHXAO-CQSZACIVSA-N 295.427 0.794 0 50 CCAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)C1CCCCC1 1857729434 APLMJHRDJKFXFK-TUAOUCFPSA-N 257.330 0.194 0 50 CCAA COC(CNS(=O)(=O)c1ccc(C)cc1)OC 5415863 YSQNRFLBFRHJBP-UHFFFAOYSA-N 259.327 0.892 0 50 CCAA C[C@]1(O)CCCN(C(=O)CCN2CCCC2=O)C1 152926070 ABUIUDHEPOVOIJ-ZDUSSCGKSA-N 254.330 0.372 0 50 CCAA C[C@@H]1CN2C[C@H](NC(=O)CCCn3cccn3)C[C@H]2CO1 1857738887 COVTYRDCMWKWMT-MCIONIFRSA-N 292.383 0.641 0 50 CCAA CC(=O)N1CCC[C@@H](C(=O)N(C)CCn2cccn2)C1 110429877 TXIOKPLHCFBDAJ-CYBMUJFWSA-N 278.356 0.600 0 50 CCAA NC(=O)[C@H]1CCCCN1C(=O)Cn1ccc(C(F)F)n1 527889371 CVQYHPCMVBEWSB-SECBINFHSA-N 286.282 0.687 0 50 CCAA C[C@H]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)CC1 484398647 CIBMSKNTUSAJGN-XYPYZODXSA-N 289.339 0.586 0 50 CCAA CCOC(=O)CN(C)C(=O)[C@@H]1CN(C)C[C@@H]1C(F)(F)F 952992687 BREVWRHETOKPNY-BDAKNGLRSA-N 296.289 0.748 0 50 CCAA Cn1c(N2CCc3cc(F)c(O)cc3C2)cc(O)nc1=O 1875294851 PAVOYSLHFSMPTC-UHFFFAOYSA-N 291.282 0.893 0 50 CCAA Cc1nsc(C)c1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)O 1875291920 QAIOYVAQLJACLT-MRVPVSSYSA-N 297.336 0.127 0 50 CCAA O=C(N=c1cns[nH]1)NC[C@@H]1C[C@H]2C[C@@H]1C[C@H]2O 1875306368 BYLWPLWJNKPJQK-LURQLKTLSA-N 268.342 0.489 0 50 CCAA C=CC(=O)N(C)CC(=O)NCC(C)(C)c1ccn(C)n1 1875367547 MWISHUFZOSUIAW-UHFFFAOYSA-N 278.356 0.458 0 50 CCAA O=S1(=O)CC[C@@]2(c3nc(C4CC4)no3)CCCN21 1875305577 FPZDVWHGDFJZQD-LLVKDONJSA-N 269.326 0.972 0 50 CCAA CN(C)CCCN(C)[C@@H]1CCCN(S(C)(=O)=O)C1 12441461 OZOQFQGWTVVZDC-GFCCVEGCSA-N 277.434 0.294 0 50 CCAA CC(C)O[C@]1(CNc2nccn3nnnc23)CCOC1 895870437 ZQUXEJXFMMWREQ-LBPRGKRZSA-N 278.316 0.515 0 50 CCAA COc1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)ccc1C 659171832 UXFRSPDMAXQAOW-PWSUYJOCSA-N 279.292 0.976 0 50 CCAA O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H](c2ncc[nH]2)C1 77389214 HQVHYUMWKQLIRZ-SECBINFHSA-N 273.296 0.513 0 50 CCAA CC(C)[C@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)C 534648606 MJWOCPVYIDEKLG-JTQLQIEISA-N 252.318 0.086 0 50 CCAA C[C@H]1C[C@H](C(=O)O)CN(C(=O)c2cnncc2O)C1 2325869937 CCEMPFBVLIJIQF-YUMQZZPRSA-N 265.269 0.365 0 50 CCAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2ccno2)C1 2356157085 DKMBJAWLUOSXIV-OAHLLOKOSA-N 299.334 0.997 0 50 CCAA CSCC(C)(C)C(=O)NS(=O)(=O)c1cnccn1 225390358 IHAFVERCSDSFOZ-UHFFFAOYSA-N 289.382 0.671 0 50 CCAA CCCN(CC(=O)NC)C(=O)c1cnn(C)c1C 124043341 QDWOZCKYEPULTK-UHFFFAOYSA-N 252.318 0.327 0 50 CCAA C[C@H](CCc1ccco1)NC(=O)Cn1ccc(=O)[nH]c1=O 144373571 XLOYVUYKEBIXIY-SNVBAGLBSA-N 291.307 0.267 0 50 CCAA Cc1ncn(CC(=O)N2CCn3nc(CO)cc3C2)c1C 219259560 OVPJMXGABVCIBD-UHFFFAOYSA-N 289.339 0.231 0 50 CCAA CCn1cnnc1[C@@H]1CN(c2nccc(OC)n2)CCO1 328628975 OHGLPDPZVDYCGK-JTQLQIEISA-N 290.327 0.675 0 50 CCAA CC[C@@H](C(=O)N1CCC2(CC1)CNC(=O)C2)n1cccn1 77339621 SMRPVKIWLNMAGR-LBPRGKRZSA-N 290.367 0.963 0 50 CCAA CCN(C)S(=O)(=O)c1c(C)nn(CC(C)(C)O)c1C 152284272 FKXZDPWSRUNEAB-UHFFFAOYSA-N 289.401 0.911 0 50 CCAA COc1cccc(N2CCC[C@H](NC(=O)C(=O)O)C2=O)c1 364182959 OHDMXBVLQKDPIZ-NSHDSACASA-N 292.291 0.391 0 50 CCAA Cc1ccc(C(=O)N2CCC(c3nnc(O)o3)CC2)nn1 332444300 JKWQIOWFTFYAQQ-UHFFFAOYSA-N 289.295 0.893 0 50 CCAA CCN1CCO[C@H](C(=O)NCc2cccc(CO)c2)C1 371885298 BYZTUVWLJSWFQX-AWEZNQCLSA-N 278.352 0.516 0 50 CCAA C[C@@H]1COCC[C@@H]1CNC(=O)N1CCNC(=O)CC1 334747939 KIIAEEIYFVCDEA-GHMZBOCLSA-N 269.345 0.191 0 50 CCAA O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1C[C@@]12CCNC2 262305828 CEXSHTSUOQJFTP-YQQAZPJKSA-N 285.391 0.989 0 50 CCAA COc1cccc(OCC(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1 284581172 LGMZDYOZZRXVAZ-ZWNOBZJWSA-N 292.335 0.654 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COCc2ccccc2)C1 284641840 RICOVKHZNRAGQV-STQMWFEESA-N 292.335 0.304 0 50 CCAA Cc1c[nH]nc1CN1CCN([C@H]2CCCCNC2=O)CC1 378127998 HJQGFNZGIDUZEW-AWEZNQCLSA-N 291.399 0.504 0 50 CCAA CSc1ncccc1C(=O)NCCS(C)(=O)=O 42125896 AFNPAIRAQOJHQS-UHFFFAOYSA-N 274.367 0.578 0 50 CCAA Cc1ccc([C@H](C)NC(=O)CN(C)CCO)cn1 426423200 AAGKWNOZORSNLM-NSHDSACASA-N 251.330 0.491 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)CSC)C1 92027934 PKZWYXBQMDFHHQ-LBPRGKRZSA-N 261.387 0.987 0 50 CCAA O=c1cc(N2CCOCC2)cnn1Cc1ccccn1 95388773 XXPNNNBPDSOBIO-UHFFFAOYSA-N 272.308 0.523 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CCCN3CCC[C@H]3C2)[nH]1 426628823 UGKWADHXMTXZHG-LBPRGKRZSA-N 275.352 0.994 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1C[C@@H]2CNC[C@@H]2C1 90321511 XJHSCUIVFIBPOH-DTORHVGOSA-N 253.733 0.970 0 50 CCAA O=C1C[C@@H](N2C(=O)[C@H]3CC=CC[C@H]3C2=O)[C@H]2CO[C@H]1O2 245236906 WPWKPJTVPOJIJC-MTUAADFLSA-N 277.276 0.021 0 50 CCAA CC(C)(C)N1CC[C@H](CNC(=O)c2cnc(O)nc2O)C1 253537035 UZTKUSANVYDBIL-SECBINFHSA-N 294.355 0.738 0 50 CCAA Cc1ocnc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1 534577193 LNHAXTSRTRKUSJ-QWRGUYRKSA-N 265.313 0.576 0 50 CCAA COc1ccccc1OCC(=O)N[C@H]1CCOC[C@@H]1O 629218736 SYJVTTRBYRBGQX-QWRGUYRKSA-N 281.308 0.340 0 50 CCAA O=C1C[C@@H](C(=O)NCc2cc[nH]n2)C2(CCCC2)O1 534633023 IGEGUHRUXWLIBP-JTQLQIEISA-N 263.297 0.902 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N1CC(n2cccn2)C1 369269914 KCDIORZLSBEKNE-UHFFFAOYSA-N 257.297 0.792 0 50 CCAA O=C(NC1CCCC1)c1cn([C@H]2CCCNC2)nn1 299802916 YEEUIRFIHSWNQG-NSHDSACASA-N 263.345 0.875 0 50 CCAA CC1(C)CC(CC(=O)NCC[C@@H](O)CO)CC(C)(C)N1 584890588 QKYLZGUDCFGJDG-GFCCVEGCSA-N 286.416 0.793 0 50 CCAA O=C(NC1CCN(CCO)CC1)[C@H]1CC12CCC2 670461293 MJQVRRPVFSOZKP-GFCCVEGCSA-N 252.358 0.750 0 50 CCAA C=CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 1356509270 NYAKFCXHGXZYRL-NSHDSACASA-N 253.346 0.231 0 50 CCAA Cn1cc(C(=O)N2CCCC[C@@]23CCOC3)nn1 1347536003 PSUCYBLYOVUSIZ-LBPRGKRZSA-N 250.302 0.600 0 50 CCAA COCCNC(=O)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565512547 IGJABIGCSZXOQC-RYUDHWBXSA-N 295.339 0.564 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ncn(C)n1 276964208 DPMWMFRJNQJURS-UWVGGRQHSA-N 252.318 0.637 0 50 CCAA Cc1cc2ncc(C(=O)N3C[C@@H](F)C[C@H]3CO)c(C)n2n1 408060747 DVGLPDCFEHGHJF-QWRGUYRKSA-N 292.314 0.891 0 50 CCAA COCC1(C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 408144045 FXBTZPNLWIJQIO-UHFFFAOYSA-N 275.370 0.449 0 50 CCAA C[C@@H]1CN(c2ncc(S(N)(=O)=O)s2)[C@H](C)[C@@H](C)O1 408441838 GRCLCJNRUZRASG-BWZBUEFSSA-N 291.398 0.793 0 50 CCAA CC(C)N1CCN(C(=O)c2cnns2)CC1=O 272704608 QHZQFUWPGTXJHU-UHFFFAOYSA-N 254.315 0.231 0 50 CCAA Cc1cc(C)n(-c2ccc(CNC(=O)[C@H](C)N)cn2)n1 170599510 ZODANKGAAYRQCY-NSHDSACASA-N 273.340 0.848 0 50 CCAA Cn1nnc(=NC(=O)Cc2ccc(OC(F)F)cc2)[nH]1 584908234 FIWASDPYSFRLTE-UHFFFAOYSA-N 283.238 0.415 0 50 CCAA Cc1cc(CCNC(=O)c2ccc3c(c2)COB3O)on1 584988825 GDNWOUPBVXGCAQ-UHFFFAOYSA-N 286.096 0.173 0 50 CCAA Cn1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)n1 584906671 XWOHYGLBOXHQCD-MRVPVSSYSA-N 276.262 0.787 0 50 CCAA Cn1nnn(Cc2nc(C3CCCC3)no2)c1=O 641519617 MOGRRXDCEAMKIY-UHFFFAOYSA-N 250.262 0.066 0 50 CCAA O=C(N[C@H](CO)C(=O)O)[C@@H]1COc2ccc(Cl)cc2C1 739370021 DPNIQFUHMHYBHB-WCBMZHEXSA-N 299.710 0.453 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(CC2=CCCOC2)C1 643757918 ZHNGMMGOVXXNDP-AWEZNQCLSA-N 268.357 0.296 0 50 CCAA Cc1nn(C)c2ncc(C(=O)NCCn3ccnc3)cc12 192708727 XPYVWVJYDFSNNU-UHFFFAOYSA-N 284.323 0.903 0 50 CCAA COCc1ccc(S(=O)(=O)NC2CC(CO)C2)cc1 660147806 XWZHRWCTYSHEKQ-UHFFFAOYSA-N 285.365 0.882 0 50 CCAA CN(C)C[C@H]1COCCN(c2cc(C(N)=O)ccn2)C1 1506417903 MGYXOLRRYLMDRO-LLVKDONJSA-N 278.356 0.195 0 50 CCAA C[C@@H](CN1CCCC1)CN(C)C(=O)c1cncc(=O)[nH]1 1506419929 MICLAQJADHAGEE-LLVKDONJSA-N 278.356 0.574 0 50 CCAA CCC[C@]1(CO)CCN(Cc2nc(COC)no2)C[C@H]1O 1875247758 REJMIFOVPVZDAI-BXUZGUMPSA-N 299.371 0.561 0 50 CCAA COCC(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 12574145 NTBCIQGANCXTGW-ZDUSSCGKSA-N 288.347 0.517 0 50 CCAA O=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCCOCC1 12703004 WNDJVODZUKHBOJ-MRXNPFEDSA-N 296.411 0.862 0 50 CCAA CC(C)CN1CC[C@@H](CNC(=O)c2c[nH]nn2)C1 161964046 KBYPRWXSRZIJPY-JTQLQIEISA-N 251.334 0.512 0 50 CCAA CCOc1cc(NCCC(=O)N2CCOCC2)ncn1 124616904 ZZIZYKYCCHFMGP-UHFFFAOYSA-N 280.328 0.536 0 50 CCAA CN(C)CCCNC(=O)C(=O)Nc1ccccc1F 2850792 XHEJVXBUEAGEOQ-UHFFFAOYSA-N 267.304 0.832 0 50 CCAA CCn1c(=O)n(CC2(CO)COC2)c2ccccc21 127245819 NQXSGZHKUSSTLW-UHFFFAOYSA-N 262.309 0.832 0 50 CCAA COCC(=O)N[C@@H]1CC12CCN(CCC1(O)CCC1)CC2 952895620 YPQVLJJHSTWASQ-CYBMUJFWSA-N 296.411 0.909 0 50 CCAA C[C@@H]1N(C(=O)C(=O)N2CCC[C@H](CN)C2)CCC1(C)C 1875286406 SQBKOHVACUNXRW-NWDGAFQWSA-N 281.400 0.831 0 50 CCAA CC(=O)N1CCC(CCNC(=O)/C=C/CN(C)C)CC1 1875374202 FGWRVYSVQOSNER-SNAWJCMRSA-N 281.400 0.869 0 50 CCAA C[C@@H]1COC[C@@](CO)(CNc2cccc(CO)n2)N1C 1875398337 LZAYQHFDIIGFKH-RISCZKNCSA-N 281.356 0.067 0 50 CCAA Cc1nnc(C(=O)NCc2nn(C)c3c2CNCC3)s1 1875303540 CSVCJQQQFZDLSK-UHFFFAOYSA-N 292.368 0.156 0 50 CCAA Cc1cccn(CC(=O)N2C[C@@H](F)C[C@H]2CO)c1=O 886040562 RYMKPQFCEDQZAL-QWRGUYRKSA-N 268.288 0.088 0 50 CCAA O=C(NCCN1CCNC1=O)[C@@H]1CCCCS1 894575596 HJOSPQUPOFTNMR-VIFPVBQESA-N 257.359 0.414 0 50 CCAA O=C(NCCc1cn[nH]c1)[C@H]1CC[C@@H](C(=O)O)C1 379564468 DLBCHTMLEMNDFN-VHSXEESVSA-N 251.286 0.569 0 50 CCAA COC(=O)CNC(=O)CNC(=O)Nc1ccccc1Cl 2866157 RHZRAAPKKBWGDR-UHFFFAOYSA-N 299.714 0.751 0 50 CCAA COCCNC(=O)C(=O)NCc1ccc(C)cc1 2966229 ONWKXDWXKYFXPH-UHFFFAOYSA-N 250.298 0.374 0 50 CCAA COCCNC(=O)C(=O)NCCc1ccccc1 3058059 ZNOFXSZLVLVHHJ-UHFFFAOYSA-N 250.298 0.108 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1ccc(F)cn1 228566111 ATSPXTXXIBWYSW-VIFPVBQESA-N 254.217 0.146 0 50 CCAA COc1ccc(S(=O)(=O)NCCCO)c(C)c1C 54363546 ANJQIYTVQMKJGR-UHFFFAOYSA-N 273.354 0.973 0 50 CCAA COc1cccc(OCc2cc(C(=O)NCCO)n[nH]2)c1 67755243 PMTPGJYMKRXHLX-UHFFFAOYSA-N 291.307 0.719 0 50 CCAA COC[C@@H](NC(=O)Cc1cccnc1)c1ccnn1C 67881855 CQVHIDHSAGYHQQ-GFCCVEGCSA-N 274.324 0.862 0 50 CCAA O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CC(OC(F)F)C1 518675268 QGQSQNIQWYOMNB-SSDOTTSWSA-N 274.267 0.447 0 50 CCAA CN(CC(=N)O)C[C@H]1CN(Cc2cncn2C)CCO1 330403220 LQISJPYKOYREKR-LBPRGKRZSA-N 281.360 0.088 0 50 CCAA CCN1CCN(C(=O)c2ccon2)C[C@H]1c1ncc[nH]1 328633348 SNJMEYYPDBGIJF-NSHDSACASA-N 275.312 0.917 0 50 CCAA O=C(NC[C@@H]1CCCS1(=O)=O)[C@H]1C[C@@H]1C1CC1 153813796 OXXRMMUWXYIMSE-AXFHLTTASA-N 257.355 0.726 0 50 CCAA C[C@H]1CN(C(=O)c2cccc(-n3cccn3)n2)CCN1 155123541 KIDNHSGMWUZCLU-NSHDSACASA-N 271.324 0.701 0 50 CCAA CC[C@@H]1C(=O)NCCN1C[C@@H]1CCO[C@H]1c1ccnn1C 331818236 LMQVHENAHHJXGM-OUCADQQQSA-N 292.383 0.708 0 50 CCAA C[C@H](Oc1cccc(CO)c1)C(=O)N1CCNC(=O)CC1 372352406 XSWHZCBLQOUGGC-NSHDSACASA-N 292.335 0.295 0 50 CCAA O=C(c1cn(-c2ccccc2)nn1)N1CCOC[C@H](O)C1 77357467 FTDZQMIVUCSSDF-GFCCVEGCSA-N 288.307 0.101 0 50 CCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCNCC1 237745654 JSZOADGAFRIAFZ-UHFFFAOYSA-N 292.792 0.366 0 50 CCAA O=C(COc1cccnc1)N1CCN(c2cnccn2)CC1 219876521 GACHHPSXZHOIOT-UHFFFAOYSA-N 299.334 0.599 0 50 CCAA C[C@@H]1CN(Cc2cnnn2C)c2ccccc2C(=O)N1 378131647 OOZINSVCKIGPCI-SNVBAGLBSA-N 271.324 0.954 0 50 CCAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(CC2=CCCOC2)C1 284696967 ZMMMHYKKQWUJOI-NEPJUHHUSA-N 264.329 0.913 0 50 CCAA O=C(C(=O)N1CCCC12CCC2)N1CC[C@H]2NCC[C@H]2C1 335196778 NYCDPPFSCQXEPM-QWHCGFSZSA-N 291.395 0.742 0 50 CCAA C[C@@H]1CCCN(Cc2nc(N)nc(N(C)C)n2)[C@@H]1CCO 521398733 OFEKFNOVALGTOY-GHMZBOCLSA-N 294.403 0.503 0 50 CCAA O=C(O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2=O 263063620 BMOZZHXGKDFYBC-UHFFFAOYSA-N 297.332 0.959 0 50 CCAA O=C(Nc1nnc2ccccn12)[C@H]1CC(F)(F)CN1 263052475 UPTFDHIEEASMCX-SSDOTTSWSA-N 267.239 0.665 0 50 CCAA C[C@H]1CCc2c(sc(=O)n2Cc2nnn(C)n2)C1 289388827 MHLXCSFUEJZEGM-ZETCQYMHSA-N 265.342 0.606 0 50 CCAA C[C@H](NC(=O)N[C@H]1CCCN(C)C1=O)c1csnn1 528018995 PHIACFAQOVLJRS-YUMQZZPRSA-N 283.357 0.519 0 50 CCAA COc1ccccc1CCC(=O)NCCN1CCNC1=O 221267428 VSGPXLQVXWCBGU-UHFFFAOYSA-N 291.351 0.769 0 50 CCAA O=C(Cn1nccc1[C@H]1CCCNC1)N1CCOCC1 426506537 DEJQNPWYSZNPHI-LBPRGKRZSA-N 278.356 0.209 0 50 CCAA CC(C)CCn1cc(C(=O)N2CC[C@@H](C(=O)O)C2)nn1 178268527 DBSQFARZEHGBPQ-SNVBAGLBSA-N 280.328 0.871 0 50 CCAA Cc1cc(C)n(CC2(CNC(=O)[C@@H]3COC(=O)N3)CC2)n1 426477573 NVHSPSYJGXPFEI-NSHDSACASA-N 292.339 0.505 0 50 CCAA C[C@H](C(=O)NCCc1ncc[nH]1)N1CCCCC1 426423293 FBOKLBKOJBZREN-LLVKDONJSA-N 250.346 0.943 0 50 CCAA CSCc1noc(C[C@@H]2C(=O)N(C)C(=O)N2C)n1 96164776 NIZKZVUGFJQBEX-ZCFIWIBFSA-N 270.314 0.368 0 50 CCAA COC(=O)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2 253399903 DKVNYGNBABSNAV-QMMMGPOBSA-N 277.280 0.642 0 50 CCAA O=C(O)[C@H](Cc1cnc[nH]1)NC1CSCCSC1 534663474 SJSZNTDRSSFVEE-JTQLQIEISA-N 287.410 0.844 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)c1ccc(N)nc1 299784017 YKCIVYXDNQSZOK-VIFPVBQESA-N 290.327 0.393 0 50 CCAA CN1CCC2(CC1)CCN(S(=O)(=O)c1cnn(C)c1)C2 641590763 VVEVACNAHXLFBN-UHFFFAOYSA-N 298.412 0.527 0 50 CCAA O=C(CCN1CCCCCC1=O)NCCN1CCOCC1 827819926 GTJAWOYVPUCYBO-UHFFFAOYSA-N 297.399 0.228 0 50 CCAA COCCN1CC[C@@H](CNC(=O)c2cnc(N)s2)C1 824412382 LBUYUQKBPKLBHF-VIFPVBQESA-N 284.385 0.423 0 50 CCAA CCOCCC(=O)N[C@@H]1CCCN(c2cnccn2)C1 584901843 CILSVWCIKQBEPN-GFCCVEGCSA-N 278.356 0.988 0 50 CCAA O=C([C@H]1CCCO1)N1CCC(NCc2cc[nH]n2)CC1 584895203 OYAFSBCZKXKIBT-CYBMUJFWSA-N 278.356 0.669 0 50 CCAA CC(C)n1c(O)nc2ccc(C(=O)N3CNC(=O)C3)cc21 1553643481 QDXPMPFXHYYNNR-UHFFFAOYSA-N 288.307 0.852 0 50 CCAA COc1cc(N[C@H]2COCC[C@@H]2O)nc(OC)n1 1565515284 CUZPKLIEJATZNK-YUMQZZPRSA-N 255.274 0.056 0 50 CCAA CCOC[C@@H]1CCN(C(=O)[C@@H]2NC(=O)O[C@H]2C)C1 408514379 OTAYEHJWUIXAQA-IVZWLZJFSA-N 256.302 0.368 0 50 CCAA O=C(CNC[C@@H]1CCCO1)NC[C@H](O)c1ccccc1F 269258300 YDVBHFBEXPMNHF-FZMZJTMJSA-N 296.342 0.744 0 50 CCAA O=C1CCC[C@H]1CNS(=O)(=O)c1cccnc1 170603682 YJWWTGFBUDPYHH-VIFPVBQESA-N 254.311 0.729 0 50 CCAA COCC1(C(=O)N2CC(S(C)(=O)=O)C2)CCC1 583306709 NMRGLXBVMMAALE-UHFFFAOYSA-N 261.343 0.059 0 50 CCAA CCCCCOCC(=O)NCC[C@@H]1CCC(=O)N1 585089890 AAHPGPWDCKWJSH-NSHDSACASA-N 256.346 0.978 0 50 CCAA C[C@@H]1OCC[C@H]1C(=O)N1CCC(n2cnnc2O)CC1 551930450 QGDSYAFQYYFZKN-GXSJLCMTSA-N 280.328 0.572 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2ncc[nH]2)C1 643755520 WMPXPWIAXBQIJJ-CYBMUJFWSA-N 266.345 0.215 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cnc2cnccn12 643764373 VYKHQGDYYJPYJG-AWEZNQCLSA-N 289.339 0.196 0 50 CCAA CC[C@H](C(=O)O)N1CCC[C@H](CN2CCOCC2)C1 191431225 GBPIJHBJWYMBBY-CHWSQXEVSA-N 270.373 0.894 0 50 CCAA CS(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 192237205 SVWOSQBAFGVUNX-AWEZNQCLSA-N 298.408 0.827 0 50 CCAA Cc1cccc(CS(=O)(=O)NC[C@H]2CNCCCO2)c1 564788452 IVZAQTBSMGCLIU-CQSZACIVSA-N 298.408 0.793 0 50 CCAA C[C@H]1c2nncn2CCN1CC(=O)N1CCOC(C)(C)C1 1615002778 OAFYWQNSKFRDPV-NSHDSACASA-N 293.371 0.292 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)c1ccc(Cn3ccnn3)o1)C2 1615544611 ALOLEYUWSZRDPI-HZMBPMFUSA-N 287.323 0.483 0 50 CCAA CC(=O)Nc1nonc1NC(=O)c1cnn(C)c1C 1529166884 CEUHVVDMRMLFNV-UHFFFAOYSA-N 264.245 0.322 0 50 CCAA Cc1[nH]c(=N)nc(N2CC[C@H](CO)[C@H](O)C2)c1Cl 1875250945 FGUVQYAELOARCJ-HTQZYQBOSA-N 272.736 0.030 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CCCN[C@@H]1C 420427394 KKUAKGYZYVWPMT-NXEZZACHSA-N 272.374 0.147 0 50 CCAA C[C@@H](O)C(=O)N1CCN(CC[C@@H]2CCCCN2C)CC1 346171485 RYSWHCOWNGJKKR-KGLIPLIRSA-N 283.416 0.386 0 50 CCAA CC(=O)c1ccc(C(=O)N2CC([C@@H](F)C(=O)O)C2)[nH]1 1875271035 UUVWTNVMKUGODL-SNVBAGLBSA-N 268.244 0.712 0 50 CCAA COC(=O)CCNC(=O)c1ccc2c(c1)N(C)CCO2 370062542 KVSQIJGLDCBBCW-UHFFFAOYSA-N 278.308 0.808 0 50 CCAA O=C(CN1C[C@@H]2[C@@H](C1)C2(CO)CO)NCC1CCCCC1 1772807837 CCQWIESSVWJRML-ZIAGYGMSSA-N 296.411 0.216 0 50 CCAA O=C(O)CCNC(=O)C(=O)c1ccc2c(c1)CCC2 154734196 XTPIMGAVEZIFGK-UHFFFAOYSA-N 261.277 0.949 0 50 CCAA O=C([C@H]1C=CCN1)N1CCC(O)(c2ccccn2)CC1 1857691506 OCBSFKZXEHVJTL-GFCCVEGCSA-N 273.336 0.420 0 50 CCAA O=C1C[C@H](CN2CCc3[nH]nc(C4CC4)c3CC2)CN1 1857735475 PHTCIVGSTDIMSR-JTQLQIEISA-N 274.368 0.824 0 50 CCAA C[C@@H](CN(C(=O)c1nccnc1N)C1CC1)C(=O)O 237467272 ZCTLAYRCFYTOEA-ZETCQYMHSA-N 264.285 0.384 0 50 CCAA NC(=O)CC1CN(C(=O)[C@H]2CCc3cccc(O)c32)C1 557392406 UFFHSKYKUKKVQX-NSHDSACASA-N 274.320 0.756 0 50 CCAA Cc1ncccc1CN1CC[C@@](O)(Cn2ccnn2)C1 671492000 JWGGDGSGADXKBV-AWEZNQCLSA-N 273.340 0.619 0 50 CCAA Cn1nnnc1NC(=O)[C@@H]1COc2ccccc2C1 904204651 YCKISUCQBOZZOC-VIFPVBQESA-N 259.269 0.400 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1nncs1 930776538 HSNJUGQYTABFNT-LLVKDONJSA-N 270.358 0.265 0 50 CCAA CC[C@H]1C(=O)NCCCN1CCO[C@H]1CCOC1 933233812 LKPGXRTXTRTDSX-RYUDHWBXSA-N 256.346 0.392 0 50 CCAA O=C(NCC12COCCN1CCOC2)N1CCCCCC1 1875282523 IIGJBQUBYYHMNX-UHFFFAOYSA-N 297.399 0.673 0 50 CCAA CCn1nc(C(=O)NOC[C@H](C)O)c2ccccc2c1=O 1875295701 OIVHKTRTJGXGHI-VIFPVBQESA-N 291.307 0.459 0 50 CCAA Cc1cc(=NCCCCCC(=O)NCCC(=O)O)[nH]cn1 1875296314 PTIYHMFCFDOBMA-UHFFFAOYSA-N 294.355 0.770 0 50 CCAA CC(C)n1cc([C@@H]2C[C@H]2C(=O)NCc2nc(O)n[nH]2)cn1 1875332710 GBFULAUTGAXKJV-VHSXEESVSA-N 290.327 0.708 0 50 CCAA NC(=O)Cn1cc(NC(=O)c2ncn3ccccc23)cn1 1875324333 SPKNDNZWSAHBND-UHFFFAOYSA-N 284.279 0.268 0 50 CCAA O=C(N[C@H]1C[C@]12CC2(F)F)C1(n2ccnn2)CC1 1875404500 KXXONGKQGCSVMV-CBAPKCEASA-N 254.240 0.681 0 50 CCAA CC[C@H](O)CN1CCN(C(=O)[C@]2(C)CCCNC2)CC1 888096417 UTLSGZHYRWTZIA-DZGCQCFKSA-N 283.416 0.291 0 50 CCAA Cn1c(N2CCC[C@@](O)(C(N)=O)C2)nc2ccccc21 284738507 WKMIXFHLZQOYSM-AWEZNQCLSA-N 274.324 0.390 0 50 CCAA Cn1nccc1C(=O)N1CCC([C@H]2CCNC2)CC1 290190366 QIZXNSSFIIRYFM-LBPRGKRZSA-N 262.357 0.882 0 50 CCAA CN(C)S(=O)(=O)CCCN1CCC2(CCNCC2)C1 358497571 BWJBGQVQDCCYMA-UHFFFAOYSA-N 289.445 0.343 0 50 CCAA C[C@@](O)(CN1CCC[C@@H](S(C)(=O)=O)C1)C(F)(F)F 386351792 PGZDRDZXRUIVDA-RKDXNWHRSA-N 289.319 0.809 0 50 CCAA CCCCNC(=O)C(=O)NCCCn1ccnc1 2491716 RFGUZMMUIQZQLV-UHFFFAOYSA-N 252.318 0.306 0 50 CCAA Cc1cc(CS(=O)(=O)NC(=O)c2ccc(C)n2C)no1 2325750147 USNINZFIOLSWGO-UHFFFAOYSA-N 297.336 0.890 0 50 CCAA O=C1C[C@H](CNC(=O)c2n[nH]cc2-c2ccncc2)CCN1 2325798219 XPZBGRGSZQYTCM-SNVBAGLBSA-N 299.334 0.728 0 50 CCAA C[C@@H]1CC[C@H]2CN=C(NC[C@H]3NC(=O)CC3(C)C)N2C1 2325864581 STHPPQHCDLEVDA-GRYCIOLGSA-N 278.400 0.961 0 50 CCAA CN1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)O)CC1 339415 YSXCAKJMKCEGPG-GHMZBOCLSA-N 252.314 0.427 0 50 CCAA O=C(C[C@@H]1NCCNC1=O)Nc1ccccc1Cl 538304 UCHBSVSKHYJNSL-JTQLQIEISA-N 267.716 0.757 0 50 CCAA OC1CN(C2CCN(c3noc(C4CCC4)n3)CC2)C1 2356161964 RFONSFFMSNOMPK-UHFFFAOYSA-N 278.356 0.982 0 50 CCAA Cc1csc(CN2CCO[C@H](c3nnnn3C)C2)n1 2356165261 ACVPCBKTNDOQRT-VIFPVBQESA-N 280.357 0.549 0 50 CCAA O=C(NCCN1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2 100470142 QAQUNHWXVGVPDJ-AVGNSLFASA-N 252.358 0.871 0 50 CCAA CCOC(=O)c1c[nH]c2nc(SC)nn2c1=O 100354676 CSQMJWKDQDLZND-UHFFFAOYSA-N 254.271 0.316 0 50 CCAA O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccncc1 101127880 ZJIJZZVOWVCKJT-NNYUYHANSA-N 283.287 0.534 0 50 CCAA OCc1cn(C[C@H]2CCCN(c3ncccn3)C2)nn1 23128489 HACQKCWQEVOPPB-NSHDSACASA-N 274.328 0.477 0 50 CCAA CCn1cc(CCN2C(=O)[C@@H]3CCCN3C2=O)cn1 329581363 LHBNYZZACJNOFH-NSHDSACASA-N 262.313 0.872 0 50 CCAA CO[C@H](C)c1noc(CCC(=O)N2C[C@@H](C)N[C@H](C)C2)n1 154131542 YZWGAJOJWVYIGA-GMTAPVOTSA-N 296.371 0.918 0 50 CCAA CC1=C(C(=O)NCc2n[nH]c3c2CCC3)[C@@H](C)NC(=O)N1 67541075 DUOJIFNAHMWFAZ-SSDOTTSWSA-N 289.339 0.490 0 50 CCAA C[C@@H](C(=O)N1CCCC1)N1CCC[C@@H](C(=O)NC2CC2)C1 229239594 RFZJVVCBKUXZJZ-QWHCGFSZSA-N 293.411 0.988 0 50 CCAA C[C@@]1(C(=O)NS(=O)(=O)Cc2ccon2)CCCO1 121840500 UTGKYEIEBHIXJB-JTQLQIEISA-N 274.298 0.190 0 50 CCAA CC(C)Oc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2)cc1 151017918 RFAFSWUTKCABFA-TZMCWYRMSA-N 278.352 0.813 0 50 CCAA CSCCC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328630792 QFAXFOSWPZYSPU-JTQLQIEISA-N 268.386 0.978 0 50 CCAA Cc1nc(N(C)C)nc(N(CCO)[C@H]2CCO[C@H]2C)n1 241923325 UFAFFYOQHVFBHQ-ONGXEEELSA-N 281.360 0.222 0 50 CCAA CCNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 30861356 WDTMRUCNYNDJIO-UHFFFAOYSA-N 257.311 0.913 0 50 CCAA Cc1nn(C)c(Cl)c1CN1CC[C@H](O)C[C@@H]1C(=O)O 65372299 REHSVLFTFDQNDB-WCBMZHEXSA-N 287.747 0.792 0 50 CCAA Cc1ncc(C(=O)N2CCCC[C@]2(C)C(=O)O)c(=O)[nH]1 217120820 OMGICGTYQONJIC-CYBMUJFWSA-N 279.296 0.548 0 50 CCAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1nnn(C)n1 333284526 JOPJYJDZWALNRC-GWCFXTLKSA-N 291.359 0.180 0 50 CCAA COc1ncc(/C=C/C(=O)N2CC([C@@H]3CCOC3)C2)cn1 377414035 UVHBVIHBGSVHDK-QAVQXKDTSA-N 289.335 0.993 0 50 CCAA NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 35180691 HHDFWNDWFPXRIF-UHFFFAOYSA-N 269.326 0.072 0 50 CCAA COCCc1nc(CNC(=O)CCN2CCCC2)no1 219585497 XRFBQJDETMWSQF-UHFFFAOYSA-N 282.344 0.361 0 50 CCAA COc1ccc2ncc(=O)n(Cc3nnnn3C3CC3)c2c1 450908646 HOQYCQZTOPDWGO-UHFFFAOYSA-N 298.306 0.775 0 50 CCAA O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC(c2nc(O)n[nH]2)CC1 522061618 XKKJYPPVAJXOFM-MXWKQRLJSA-N 292.339 0.784 0 50 CCAA CN(C)C(=O)OC1CCN(C(=O)c2cn[nH]c2)CC1 496314767 UVLLKDCQSNFIPN-UHFFFAOYSA-N 266.301 0.713 0 50 CCAA CN1C(=O)C[C@@H](NC(=O)c2ccon2)[C@@H]1c1ccnn1C 285141471 FJMCLAMGNVXILG-BXKDBHETSA-N 289.295 0.110 0 50 CCAA C[C@H]1C(=O)NCCN1C(=O)NC[C@@H]1N(C)CCCC1(C)C 336482084 NSUCAXNJVKTWOH-RYUDHWBXSA-N 296.415 0.637 0 50 CCAA C[C@@H](C(=O)NC(C)(C)c1nnc(N)s1)N(C)C 426661156 BJFMVFBZZJYHBE-LURJTMIESA-N 257.363 0.422 0 50 CCAA NC(=O)[C@@H]1C[C@@H](O)CN1Cc1ncccc1Cl 528561691 IZZGLLXJNRBWBI-XCBNKYQSSA-N 255.705 0.156 0 50 CCAA O=C(O)CCn1cc(I)cn1 47218726 MIJGHVPPRUSELK-UHFFFAOYSA-N 266.038 0.962 0 50 CCAA CCOC(=O)CNS(=O)(=O)c1cccc(Cl)c1O 230467629 ULDARJKGGNAWSW-UHFFFAOYSA-N 293.728 0.887 0 50 CCAA Cc1nc(NCCCn2ccnn2)c2cnn(C)c2n1 95361263 YNJHCLJGNKANEM-UHFFFAOYSA-N 272.316 0.765 0 50 CCAA COc1ncccc1NC(=O)N[C@H](C)Cn1cncn1 96153544 TVZKBQYEZHTQBS-SECBINFHSA-N 276.300 0.892 0 50 CCAA COC(=O)c1ccc(N2C(=O)C=CC2=O)cc1C(=O)OC 97756970 YBGVBKPWEJWRSW-UHFFFAOYSA-N 289.243 0.689 0 50 CCAA CC(C)n1cnnc1Cn1ncn2cccc2c1=O 95379998 GOAZNLJSIQVZTQ-UHFFFAOYSA-N 258.285 0.717 0 50 CCAA NC(=O)[C@H](O)C1CCN(Cc2ccc(Cl)cn2)CC1 299750868 ONQNJTCQCSRWSB-GFCCVEGCSA-N 283.759 0.793 0 50 CCAA O=C([C@H]1CNCCO1)N1CCCN(C2CCCCC2)CC1 534637671 SXEDWZONHWBSHJ-OAHLLOKOSA-N 295.427 0.842 0 50 CCAA O=S(=O)(N[C@H](CO)c1ccc(F)cc1)N1CCCC1 269784683 PMUCMWRAAPPZDA-GFCCVEGCSA-N 288.344 0.789 0 50 CCAA COc1cc(OC)nc(N[C@H]2COC[C@@H]2OC)n1 290607632 FJAFYLAUSAMFQN-YUMQZZPRSA-N 255.274 0.320 0 50 CCAA CC(C)n1cnnc1CNS(=O)(=O)c1cnn(C)c1 825658374 YULDPOAVJJICSQ-UHFFFAOYSA-N 284.345 0.071 0 50 CCAA CN1CCCN(CC(=O)N2CC[C@@H](O)CC(C)(C)C2)CC1 584901418 CMQIVUXVJZYNIS-CQSZACIVSA-N 297.443 0.633 0 50 CCAA COCCN1CC[C@@H](C(=O)N(C)CC2(C)COC2)C1 584902201 XGBJAXFTQIOXMM-GFCCVEGCSA-N 270.373 0.450 0 50 CCAA CCCn1ncc(C(=O)NCCc2cnn[nH]2)c1C 584885495 PQXVSHONPIBRQO-UHFFFAOYSA-N 262.317 0.692 0 50 CCAA CC(C)n1cnnc1[C@@H](C)NC(=O)Cn1ccc(=O)cc1 584901054 IVCPZNQMEATTKU-LLVKDONJSA-N 289.339 0.898 0 50 CCAA COC[C@H]1CN(c2ccncc2C(N)=O)CC(C)(C)O1 517046197 YRJBUWHVHTWOHM-SNVBAGLBSA-N 279.340 0.811 0 50 CCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(Cl)c[nH]1 1565516229 ZXTJZVWOPIZBOO-IELRGYKMSA-N 297.742 0.690 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)c1csc(=NC2CC2)[nH]1 408293958 JKDYCRHPLQJOCG-QMMMGPOBSA-N 294.380 0.490 0 50 CCAA C=CC(=O)NCCC(=O)NC[C@H]1COC2(CCCC2)O1 271629693 YGCKGZLUXABBIU-NSHDSACASA-N 282.340 0.481 0 50 CCAA O=C(NCCCn1cccn1)c1c[nH]nc1[C@H]1CCOC1 275295676 MPSQWIHVZFLOQZ-NSHDSACASA-N 289.339 0.930 0 50 CCAA OC[C@@]1(NC2CCN(c3nccs3)CC2)CCOC1 186650770 MTRRJSUNAWYNNJ-ZDUSSCGKSA-N 283.397 0.853 0 50 CCAA CCOCCNS(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC 170610369 KUEOCKLEIANCHP-NXEZZACHSA-N 279.358 0.284 0 50 CCAA COc1cncc(C(=O)N2CCCNC(=O)[C@@H]2C)c1C 632725151 DIZPLELHINRKON-JTQLQIEISA-N 277.324 0.749 0 50 CCAA COC(=O)[C@H]1C[C@H](O)CN1Cc1nccn1C(C)C 188597377 CMHPKUISWKVTPJ-WDEREUQCSA-N 267.329 0.572 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2cscn2)CC1=O 195531145 SSDRILULUGJVLK-WEDXCCLWSA-N 265.338 0.882 0 50 CCAA Cc1c[nH]nc1CN1CCC(O)(CN(C)C)CC1 715379931 AOIGOFSPRPZGCA-UHFFFAOYSA-N 252.362 0.607 0 50 CCAA Cc1cc(C(=O)N2CCN(c3nc[nH]n3)CC2)ns1 585130564 UZWIKIRRVIINON-UHFFFAOYSA-N 278.341 0.532 0 50 CCAA C[C@@H]1CCOCCN1C(=O)c1cccn2c(O)nnc12 781013508 MOFLHPFTIRQPGG-SECBINFHSA-N 276.296 0.686 0 50 CCAA Cc1ccc(S(=O)(=O)NCCc2cnoc2)nn1 907388301 JRGWDQBLMZIFCO-UHFFFAOYSA-N 268.298 0.294 0 50 CCAA C[C@@H](CN1CCCCCC1)NCCCc1nn[nH]n1 1506420258 ZYSHEMKWWKFFKS-LBPRGKRZSA-N 266.393 0.986 0 50 CCAA CN(C(=O)COc1ccc(F)cc1)[C@H]1COC[C@@H]1O 222898430 RJBMNGIHPVKBDR-RYUDHWBXSA-N 269.272 0.423 0 50 CCAA C[C@](O)(CNC(=O)[C@@H]1CCc2ccccc2C1)C(=O)O 223389821 PNNVVXHLKJMNNF-DOMZBBRYSA-N 277.320 0.743 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N1CCC[C@]2(CCOC2)C1 1857686539 APVPOEGUSLEKPB-AWEZNQCLSA-N 279.340 0.995 0 50 CCAA Cn1nc(C(=O)O)nc1-c1cccc(CC(=O)O)c1 1875244198 CTZZQHGJXUCZLD-UHFFFAOYSA-N 261.237 0.807 0 50 CCAA Cc1ccccc1SCC(=O)N[C@H]1CCNC[C@@H]1O 222091773 WRNMGCKETYIUJY-RYUDHWBXSA-N 280.393 0.926 0 50 CCAA Cc1nc(N)cc(N2CCC3(CC2)CN(C)C(=O)CO3)n1 1800410639 YJUXYIHLVNQHPQ-UHFFFAOYSA-N 291.355 0.195 0 50 CCAA O=C(c1nc2ncccn2n1)N1CCC[C@H]1C1(O)CC1 1772810053 IBOCYWAQSGXVTQ-VIFPVBQESA-N 273.296 0.254 0 50 CCAA Cc1cccc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1 16606655 HRNYLAHLAOHSAI-NSHDSACASA-N 299.330 0.867 0 50 CCAA C[C@@H](C1CCN(c2cncc(N)n2)CC1)N1CCOCC1 1857666306 KNAPKYKZVJMKJN-LBPRGKRZSA-N 291.399 0.996 0 50 CCAA COC(=O)c1cccnc1N1C[C@H]2COC[C@@H]1CN(C)C2 1875247115 QUIPXGGWIPXTPE-RYUDHWBXSA-N 291.351 0.635 0 50 CCAA CN(CC(F)(F)F)C(=O)c1cn2c(n1)CCNCC2 1875251228 ZSFQFPDROLSTHX-UHFFFAOYSA-N 276.262 0.663 0 50 CCAA Cc1nnc(COC2CN(C(=O)[C@@]3(C)CCCOC3)C2)o1 644216610 WUELHVIZEJVBCP-AWEZNQCLSA-N 295.339 0.922 0 50 CCAA COc1ccncc1NC(=O)CN1CCCC[C@@H](O)C1=O 644339354 YEIFEJTUGAQJRD-LLVKDONJSA-N 293.323 0.402 0 50 CCAA N[C@]12CCc3nonc3[C@]1(O)CC(c1ccccc1)=[N+]2[O-] 19321841 JENTZDUNXHZRGI-KGLIPLIRSA-N 286.291 0.262 0 50 CCAA C[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@]2(CCOC2)O1 253397034 SRNXLPBPUWGLFI-MFKMUULPSA-N 282.344 0.515 0 50 CCAA O=C(O)[C@@H](CNC(=O)[C@H]1COCCO1)Cc1ccccc1 262536709 QLEZHKKAALPOSH-CHWSQXEVSA-N 293.319 0.462 0 50 CCAA Cc1cc(CC(=O)N[C@H]2CCCC[C@H]2C(N)=O)no1 267310387 MNUXRRJBNVPMMP-MNOVXSKESA-N 265.313 0.686 0 50 CCAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1CN 1875276754 YGIJCUWLTUBSQT-FDYHWXHSSA-N 276.384 0.967 0 50 CCAA CN(CC(=O)O)[C@H]1CCCN(C(=O)[C@H]2CCCCN2)CC1 1875266792 XBZABFKZRMHOLO-QWHCGFSZSA-N 297.399 0.526 0 50 CCAA CCc1nn(C)c(CC)c1CC(=O)NC/C=C/C(=O)OC 1875273161 BXHADUQWCRBRJS-BQYQJAHWSA-N 293.367 0.933 0 50 CCAA CC[C@@H](C)C(=O)N[C@H]1CC(=O)N(c2cnn(C)c2)C1 1875286459 UEJXBGDQZRIYOU-ZJUUUORDSA-N 264.329 0.688 0 50 CCAA COCCN(CCC(=O)O)C(=O)CCCC(=O)O 1875335576 VFLFJJVEUAFYIL-UHFFFAOYSA-N 261.274 0.191 0 50 CCAA CN1C[C@@](C)(CNC(=O)c2cc(O)nc(C3CC3)n2)C1=O 1875370177 DZIACIBPQPVRKZ-CQSZACIVSA-N 290.323 0.268 0 50 CCAA CCO[C@H]1CCN(C(=O)c2cnn3c2OCCC3)C1 885332783 MHZPWTBZGAEXGW-JTQLQIEISA-N 265.313 0.917 0 50 CCAA C[C@@H](N)C(=O)NCc1cn(C)nc1C(F)(F)F 157918378 RLOGSWBAMBWOAB-RXMQYKEDSA-N 250.224 0.402 0 50 CCAA Cc1c(C(=O)NCCc2nc(C(=O)O)cs2)cnn1C 90940649 IIFVXIFHCJCMOV-UHFFFAOYSA-N 294.336 0.856 0 50 CCAA COc1nscc1C(=O)N(C)CCN1CCCC1=O 2325784942 VPYJUZQCHAJULX-UHFFFAOYSA-N 283.353 0.846 0 50 CCAA O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1[C@H]2CCCC[C@H]21 245418506 ALOWQRYHNLEOME-ZNSHCXBVSA-N 257.355 0.726 0 50 CCAA O=C([C@H]1CCCO1)N1CCN(c2ccccn2)CC1 4749760 IGEAOEFDPIDREO-GFCCVEGCSA-N 261.325 0.909 0 50 CCAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1C[C@H]1C(=O)O 225480802 ZAUQRGYUJKRESK-OUAUKWLOSA-N 290.323 0.282 0 50 CCAA CC1(C)C(=O)NCCN1CCOc1ccccc1C(=O)O 113212053 DYVDAYCOZRRVNI-UHFFFAOYSA-N 292.335 0.974 0 50 CCAA COC(=O)c1ccccc1NC(=O)CN1CCN(C)CC1 20386635 SIYFBAQBBVVFTM-UHFFFAOYSA-N 291.351 0.659 0 50 CCAA c1cnc(N2CCN(Cc3cnn4cccnc34)CC2)nc1 20995235 IPPBLVWPAZDRJS-UHFFFAOYSA-N 295.350 0.842 0 50 CCAA Cc1nc([C@@H](C)NC(=O)c2cc(Cl)c[nH]c2=O)n[nH]1 67947633 MIEJDOFKDISDRT-RXMQYKEDSA-N 281.703 0.946 0 50 CCAA CCCN1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1 20410736 PBXAASGVOOQMMZ-UHFFFAOYSA-N 281.400 0.799 0 50 CCAA C[C@@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)S(C)(=O)=O 135844278 YUSWNENFABXWQN-VHSXEESVSA-N 291.369 0.523 0 50 CCAA CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 38534603 OTSGJEXXHXNHON-ZDUSSCGKSA-N 276.336 0.940 0 50 CCAA CC(C)c1cc(C(=O)N[C@H]2CC[C@H]2N)nc2ncnn12 72156083 FUGACOOSQWJCCA-BDAKNGLRSA-N 274.328 0.467 0 50 CCAA Cn1cc([C@H](O)C[C@H]2CCCN2S(=O)(=O)C2CC2)cn1 367249167 SUTNBSZFDAKZOH-DGCLKSJQSA-N 299.396 0.800 0 50 CCAA CC(C)=CC(=O)N1CCC2(CC1)NCCNC2=O 67688452 IUBZQYMGISSCRG-UHFFFAOYSA-N 251.330 0.033 0 50 CCAA COCCN1C[C@@H](Cc2nccnc2OC)CC1=O 219748415 ZIJYSRNGZUTZIP-JTQLQIEISA-N 265.313 0.523 0 50 CCAA O=C(NCCN1CCNCC1)N[C@@H]1CC=CCC1 333371716 MNMSZCGWRVQXMZ-GFCCVEGCSA-N 252.362 0.300 0 50 CCAA COC[C@H]1CCCN1C(=O)c1cccn(C)c1=O 214989869 OAUJBXVQUOGPAN-SNVBAGLBSA-N 250.298 0.636 0 50 CCAA CN1CCCN(C(=O)[C@H]2CC23CCNCC3)CC1 70252174 CVLCVHMEXQBNFP-GFCCVEGCSA-N 251.374 0.540 0 50 CCAA C[C@@H]1CN(C)C[C@H](c2nc(-c3ccn(C)c(=O)c3)no2)O1 527545847 NJNRUQXFYOARFY-MWLCHTKSSA-N 290.323 0.827 0 50 CCAA CS(=O)(=O)NC1=NCN(C2CCCCCC2)CN1 40387228 CUZBVANJVQRCHZ-UHFFFAOYSA-N 274.390 0.435 0 50 CCAA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CN(C)C)C2 220388499 RHERFVQBYVPZFK-SNVBAGLBSA-N 266.345 0.230 0 50 CCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cnn2cccnc12 616768512 FROODDUDJKTEQH-QJPTWQEYSA-N 298.306 0.030 0 50 CCAA O=C(O)c1cncnc1NCCCN1CCCC[C@@H]1CO 95371462 QUDDHIYCXKVZFT-LLVKDONJSA-N 294.355 0.824 0 50 CCAA CC(C)OCC(=O)NCc1cccc(-c2nnn[nH]2)c1 95208592 JTJZTADWKDFPRJ-UHFFFAOYSA-N 275.312 0.908 0 50 CCAA c1ncc(-c2cn(CCN3CCOCC3)nn2)cn1 95387070 WIGCKEUHAJZUEZ-UHFFFAOYSA-N 260.301 0.067 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)N1CCc2ccccc21 299741754 FVKMXYYVYRUJSV-YPMHNXCESA-N 291.326 0.473 0 50 CCAA NC(=O)[C@H]1CCCCN1C(=O)CCc1nccs1 299091302 NCUOSMTWXWFGPO-SECBINFHSA-N 267.354 0.942 0 50 CCAA NC(=O)c1cccc(C(=O)N[C@H](C(N)=O)c2ccccc2)n1 542881341 DXTQFTZICHXWPD-LBPRGKRZSA-N 298.302 0.137 0 50 CCAA CN(Cc1cnc2c(C(=O)O)cnn2c1)CC1(C)COC1 534629887 XKABHPSMWKJSAE-UHFFFAOYSA-N 290.323 0.896 0 50 CCAA CCO[C@H]1COC[C@@H]1Nc1nc(N)c2cnn(C)c2n1 534669424 SCFAEVJIJSHVIV-IUCAKERBSA-N 278.316 0.161 0 50 CCAA CN1CCC(OCCCN[C@H]2CCS(=O)(=O)C2)CC1 534575984 BWCYMXBNBNYRMZ-LBPRGKRZSA-N 290.429 0.264 0 50 CCAA CCNC(=O)c1ccc(N2CCN3C(=O)OC[C@H]3C2)nc1 370565706 NBPCFZHNDMYRLZ-LLVKDONJSA-N 290.323 0.472 0 50 CCAA O=C(CCc1cn[nH]c1)N1CCN(C(=O)C2CCC2)CC1 584886008 CPAGPPASKDUIAY-UHFFFAOYSA-N 290.367 0.813 0 50 CCAA Cc1cc(CN(C)C(=O)[C@H]2CCS(=O)(=O)C2)ccn1 584902028 RIQXJHUMJDTERA-LBPRGKRZSA-N 282.365 0.783 0 50 CCAA CN1CCC(O)(C(=O)NCC2(N(C)C)CCCCC2)CC1 584898638 AYXLZTKLJXCPEB-UHFFFAOYSA-N 297.443 0.824 0 50 CCAA Nc1cc(O)nc(CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)n1 584899974 OCKRPBCWSQEIEP-KXUCPTDWSA-N 274.324 0.635 0 50 CCAA O=C(NC1(CO)CCCCCC1)c1cncc(=O)[nH]1 584892062 IWDOAJJOCGKEDG-UHFFFAOYSA-N 265.313 0.585 0 50 CCAA COCCn1cncc1CNC(=O)c1c(C)ncnc1C 670462231 UGRZMNFCOMNPIH-UHFFFAOYSA-N 289.339 0.866 0 50 CCAA COc1nccc(C(=O)N[C@@H]2CCNC23CCC3)n1 1357925471 QHTATJYYZCTLCY-SNVBAGLBSA-N 262.313 0.500 0 50 CCAA O=C(Nc1[nH]nnc1C(=O)N1CCCC1)[C@@H]1CCSC1 1361474899 TZOONUCYXYKIKL-MRVPVSSYSA-N 295.368 0.732 0 50 CCAA Cc1ccoc1C(=O)NCC1CCN(C(=O)CO)CC1 952964486 NUTSBLWMCYJXBM-UHFFFAOYSA-N 280.324 0.549 0 50 CCAA CN1Cc2ccccc2C[C@@H]1CN(C)S(=O)(=O)N(C)C 952981056 UBJGGZDALXVBNG-CQSZACIVSA-N 297.424 0.781 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccncc1 1565525387 IZOJGHIEIZUALD-RNJOBUHISA-N 261.325 0.529 0 50 CCAA CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 408144509 MAFKUKLHVJPHOL-NWDGAFQWSA-N 295.383 0.515 0 50 CCAA COc1ccc(Cl)cc1CNC(=O)[C@H]1C[C@@H](O)CN1 276659412 PLLGPBDEPNIAKL-GHMZBOCLSA-N 284.743 0.688 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cc(C(N)=O)c[nH]1 189002278 DGOADXZHBWZMPE-NSHDSACASA-N 292.339 0.100 0 50 CCAA COC[C@@H](C)n1ccc(NC(=O)N2CCNC(=O)C2)n1 189779739 KGJHYTPPDHPYAP-SECBINFHSA-N 281.316 0.054 0 50 CCAA CCCN1CC[C@@H](Nc2nc(O)c3cnn(C)c3n2)C1 664529164 HUTUPDYCAPGOSA-SECBINFHSA-N 276.344 0.965 0 50 CCAA O=C(Cc1ccsc1)N[C@]1(C(=O)O)C[C@H](O)C1 1875291810 MGEFOMRRYIHTPY-DKTWLAJQSA-N 255.295 0.385 0 50 CCAA COCn1nccc1S(=O)(=O)N1CC(F)(F)C1 1615058460 NGNMXMIBGAFFCX-UHFFFAOYSA-N 267.257 0.127 0 50 CCAA COC(=O)[C@@H](NC(=O)/C=C\C(=O)O)c1ccccc1 100384084 MLAGUTJTKLLTIJ-KRZKBDHCSA-N 263.249 0.658 0 50 CCAA C[C@H]1CN(c2cc(N3CCCC3)ncn2)C[C@H](CO)O1 225490434 BBPXDNJHJGIKQV-NWDGAFQWSA-N 278.356 0.663 0 50 CCAA C[C@@H](CN(C)Cc1cc(O)nc(O)n1)N1CCOCC1 1529191690 BWPAYWHWRFBTGY-JTQLQIEISA-N 282.344 0.040 0 50 CCAA CNC(=O)CC1CCN(C(=O)[C@H]2CCCN(C)C2)CC1 1857529518 LISNYQHBLJVSGQ-ZDUSSCGKSA-N 281.400 0.703 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3cnc(N)nc3)C[C@@H]2O)on1 1704354206 WNXOWFIFTQODOM-YPMHNXCESA-N 289.339 0.391 0 50 CCAA Cc1ccncc1CN(C)C(=O)CS(C)(=O)=O 331069053 HIHDTNRNHJXVSG-UHFFFAOYSA-N 256.327 0.393 0 50 CCAA COCc1cc(NC(=O)N2CC(C(C)(C)O)C2)ncn1 332500467 ZEQOKSIVGFCJAD-UHFFFAOYSA-N 280.328 0.858 0 50 CCAA Cc1cc(=NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)[nH]n1C 333068368 OHGIPHCSBXZWOT-CBAPKCEASA-N 250.302 0.004 0 50 CCAA CCc1nc(=N[C@H]2CCC(=O)N[C@H]2C2CC2)s[nH]1 376421731 QWMSTCJJACVHRD-KWQFWETISA-N 266.370 0.992 0 50 CCAA NC1(CC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CCC1 237989485 SXVPAYMRDUDYBT-VXGBXAGGSA-N 268.357 0.664 0 50 CCAA O=C(c1n[nH]c2c1CCCC2)N1CCC([C@@H](O)CO)CC1 1772704111 IPULZKOKLKGTFD-ZDUSSCGKSA-N 293.367 0.494 0 50 CCAA CN1C[C@H](CN2CCN(C3CCCC3)C(=O)C2)CCC1=O 1775982238 MWKIJUZHHDOMQS-CYBMUJFWSA-N 293.411 0.942 0 50 CCAA Cc1ccc(CN2CC[C@]3(CNC(=O)CO3)C2)nc1 1775984288 NCFZVFTVJIDZMT-AWEZNQCLSA-N 261.325 0.481 0 50 CCAA CCOc1cc(/C=c2\sc3n(c2=O)CCN=3)ccc1O 13574118 UWRXRPLBGVQXJI-WQLSENKSSA-N 290.344 0.476 0 50 CCAA O=C(COCC1CC1)N[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1O 1857532800 XMAXPZUQCZSLSP-RDBSUJKOSA-N 293.367 0.565 0 50 CCAA Cn1nccc1CCC(=O)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857672829 IFMKTEWTIBKHAL-XBFCOCLRSA-N 293.367 0.351 0 50 CCAA CCC[C@]1(CO)CCN(Cc2n[nH]c(CC)n2)C[C@@H]1O 1875250597 PDVBLMBKPIPJIF-SMDDNHRTSA-N 282.388 0.713 0 50 CCAA COC(=O)[C@H]1CCc2nnc(C(=O)NC(C)C)n2CC1 601044095 NIXOEBSOFXENJW-VIFPVBQESA-N 280.328 0.542 0 50 CCAA Cc1cc(N2CCC[C@@H](c3nnc[nH]3)C2)n2ncnc2n1 241383118 MSRCFRGHWHEFPC-SNVBAGLBSA-N 284.327 0.935 0 50 CCAA NC(=O)[C@H]1CN(c2nc3ccccc3s2)C[C@@H]1C(N)=O 585117924 CENIYHPGZXZNLE-YUMQZZPRSA-N 290.348 0.319 0 50 CCAA FC(F)(F)Cn1nnnc1COc1cncnc1 901703816 NSBBMXWIIHCHHY-UHFFFAOYSA-N 260.179 0.604 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cc(C)nn1C 818192606 XCRNHJGTOFTDDW-AWEZNQCLSA-N 280.372 0.456 0 50 CCAA Cc1c[nH]nc1CN1CCCC[C@@H]1CS(N)(=O)=O 825118789 QFKIEQQPEDNCNQ-SNVBAGLBSA-N 272.374 0.361 0 50 CCAA COc1cc(CN2CCN(c3n[nH]c(C)n3)CC2)on1 931629980 YALSGZPJJACQEC-UHFFFAOYSA-N 278.316 0.432 0 50 CCAA CN1CCC[C@@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 857512531 OQROIMBIGMFECX-OAHLLOKOSA-N 291.399 0.692 0 50 CCAA O=C1NCCC[C@@H]1N1C(=O)c2cccc(F)c2C1=O 1857781066 IIVHJKBFAAWAGQ-VIFPVBQESA-N 262.240 0.700 0 50 CCAA CCC1(O)CN(C(=O)c2ccc(NC(C)=O)cn2)C1 1155697510 JYBYHKRNTUTKLQ-UHFFFAOYSA-N 263.297 0.637 0 50 CCAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)CS1 1875300550 IABNEPNUXTULGH-HDBBIHSSSA-N 295.364 0.590 0 50 CCAA Cc1nc2ccccn2c1CNC(=O)NCc1cnnn1C 894873877 UBPJBELGTIRSAK-UHFFFAOYSA-N 299.338 0.771 0 50 CCAA CCO[C@H]1C[C@@H](NC(=O)CNC(=O)c2cscn2)C1 1775986476 WNGFMRNBCQMHQJ-DTORHVGOSA-N 283.353 0.557 0 50 CCAA CCN(CC)C(=O)CN(C)C(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1N 250046684 WCNKRMGSJMWKSZ-AUZPSNTRSA-N 281.400 0.687 0 50 CCAA COCc1cc(C(=O)N(C2CC2)[C@@H](C)C(=O)O)no1 262574078 DDCXCSQEHJSFKD-ZETCQYMHSA-N 268.269 0.899 0 50 CCAA CCn1cc(C(=O)N2CCC[C@H]2C(=O)O)c(C)n1 630175706 UZJHSJCBYLCGJF-JTQLQIEISA-N 251.286 0.901 0 50 CCAA CCCOC[C@H]1CCN(C(=O)c2cc(N)n[nH]2)C1 584885698 UGDFKDAHIGMYHF-VIFPVBQESA-N 252.318 0.881 0 50 CCAA O=C(NC[C@@H]1COCCO1)c1n[nH]cc1-c1ccncc1 2325798172 SDLQYSWHKYXCNQ-LLVKDONJSA-N 288.307 0.617 0 50 CCAA O=C(N[C@@H](c1nn[nH]n1)C1CC1)C12CSC(C1)C2 2325806910 NSNUORKOOXYIKL-JKDSDDBFSA-N 265.342 0.663 0 50 CCAA O=S1(=O)CCCCN1S(=O)(=O)c1cccs1 309759 DMMWPGFEVHVRDL-UHFFFAOYSA-N 281.380 0.862 0 50 CCAA COCCNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 6697899 HKLRDUKRGCQUKZ-UHFFFAOYSA-N 293.366 0.015 0 50 CCAA CC(C)Nc1ccnc(N2CCN(C)[C@@H](CCO)C2)n1 106992034 GCHRAAMIHLMJSS-LBPRGKRZSA-N 279.388 0.800 0 50 CCAA COc1cccc(CS(=O)(=O)N2CCC[C@@H](N)C2)c1 122357418 LJLRSTKTZQOLCD-GFCCVEGCSA-N 284.381 0.948 0 50 CCAA COc1ccc(C(C)=O)cc1CN1C[C@@H](O)C[C@H]1C(N)=O 252467405 IEVRZAMQZFBENZ-STQMWFEESA-N 292.335 0.318 0 50 CCAA CCn1nc2c(cc1=O)CN([C@@H]1C[C@@H](C)OC1=O)CC2 229832609 SBIWKYAUNJRBLV-BXKDBHETSA-N 277.324 0.325 0 50 CCAA CN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1 73196039 ISBHYKVAFKTATD-SNVBAGLBSA-N 262.361 0.679 0 50 CCAA in-man Cc1ccc(S(=O)(=O)Cc2nnn(C)n2)cc1C 281548887 YOWCDOUEFADVCL-UHFFFAOYSA-N 266.326 0.801 0 50 CCAA CN(C)[C@@H]1CCCN(C(=O)c2ccc3nnnn3c2)CC1 72149564 NWGJVTIXWXQMPA-GFCCVEGCSA-N 288.355 0.681 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)Cc1c(C)nc(N)nc1C 71754511 YTWCLDVQUHOILM-RYUDHWBXSA-N 294.355 0.138 0 50 CCAA O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@@H]1CCCCO1 328625944 LEPPOYDSLZRRBJ-MNOVXSKESA-N 264.329 0.925 0 50 CCAA O=C(O)c1ccc(CS(=O)(=O)NC2CC2)cc1 37465581 GVELEFIGMHRGII-UHFFFAOYSA-N 255.295 0.967 0 50 CCAA Cc1nc(CCNC(=O)c2cn[nH]n2)sc1C 72152497 WGAIITFKLPBRKJ-UHFFFAOYSA-N 251.315 0.851 0 50 CCAA Cc1nccn1CCN(C)C(=O)[C@@H]1CC(=O)N(C(C)C)C1 77393299 HJIIZLDVMJYZMJ-CYBMUJFWSA-N 292.383 0.907 0 50 CCAA Cc1nc(C(=O)NCCN2CCOCC2)cs1 49307161 QGMNUPBZORGWRR-UHFFFAOYSA-N 255.343 0.514 0 50 CCAA COCc1noc(CNC(=O)c2ccn(C(C)C)n2)n1 426693818 RCLFIBUUVMWXII-UHFFFAOYSA-N 279.300 0.923 0 50 CCAA O=C(C[C@H]1CCOC1)N1CCCN(c2ncccn2)CC1 426533984 FRJKQDJDKGIIQA-CYBMUJFWSA-N 290.367 0.942 0 50 CCAA Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@@H](C)N(C)C 426668924 ATOUMHVNNSEHFL-GFCCVEGCSA-N 282.388 0.308 0 50 CCAA Cc1[nH]nc(CCC(=O)N2CCO[C@H](C(=O)O)C2)c1C 426380334 FSACOKHMSZFWAZ-NSHDSACASA-N 281.312 0.271 0 50 CCAA CCN(CCN(C)C)C(=O)c1nnc2nc(C)ccn12 426574862 IQAJLSNAAJXOKF-UHFFFAOYSA-N 276.344 0.456 0 50 CCAA CCc1nn(C)c(OC)c1CNC(=O)CN1CCCC1=O 180155581 QUBAPEXUMIYYCF-UHFFFAOYSA-N 294.355 0.230 0 50 CCAA CC(C)(C)OC(=O)Nc1ccn(CC(=O)O)c(=O)n1 90135414 GDZBCKTYQSHPDJ-UHFFFAOYSA-N 269.257 0.675 0 50 CCAA CC[C@H](NC(=O)Cn1ccccc1=O)[C@H]1C[C@H](O)C1 243901004 AYHZHWOKKXCTLJ-SRVKXCTJSA-N 264.325 0.514 0 50 CCAA CCn1cnc2c(N(C)CC(=O)N(C)C)ncnc21 299563946 FSEJNEGFEIPMRG-UHFFFAOYSA-N 262.317 0.371 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCN(c2ccncc2)CC1 534670029 OYDUBGCCRIIUMV-ZDUSSCGKSA-N 258.325 0.258 0 50 CCAA COCc1noc(CNC(=O)C[C@@H](C)n2cccn2)n1 534585918 KQXXLXYKJTWNNB-SECBINFHSA-N 279.300 0.680 0 50 CCAA O=C(CCC(=O)N1CCCCCC1)NCCn1ccnn1 534581934 PESQMCKARWOZLE-UHFFFAOYSA-N 293.371 0.577 0 50 CCAA Cc1c(O)cccc1C(=O)NCCCN1CCNC(=O)C1 299765115 WEBSPQZUGLXIIV-UHFFFAOYSA-N 291.351 0.252 0 50 CCAA COc1cccc2c(=O)n([C@H]3COC[C@@H]3OC)cnc12 584902729 MFNIPJWEIPOLNT-JQWIXIFHSA-N 276.292 0.991 0 50 CCAA CO[C@H]1CN(Cc2ccc(NC(C)=O)cc2)C[C@@H]1O 670439084 CVRIBBGHRDISMQ-KBPBESRZSA-N 264.325 0.837 0 50 CCAA CSC[C@H](C)NCCN1CCN(c2ncccn2)CC1 670434596 PPNITQQXMRMQDD-ZDUSSCGKSA-N 295.456 0.940 0 50 CCAA O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)N1CCNCC1 1551564646 ZFDUTBNWCUSCCK-QWRGUYRKSA-N 292.305 0.143 0 50 CCAA CCCN1CCC[C@H](CNC(=O)NCCC(=O)O)C1 952990703 WHLBGPHGNNEFHA-LLVKDONJSA-N 271.361 0.882 0 50 CCAA C[C@]1(O)CCN(Cc2nc3ccccc3[nH]2)C[C@H]1O 1565512399 KEVHHEJUAYVTFP-OCCSQVGLSA-N 261.325 0.881 0 50 CCAA O=C(NC[C@H]1CCNC[C@@H]1O)c1ccc2c(c1)CCC2 1565530313 CYDPBJRFGGMLME-CABCVRRESA-N 274.364 0.876 0 50 CCAA NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC=CCC2)cn1 270698292 XLCDQCRXNSAHQZ-JTQLQIEISA-N 281.337 0.568 0 50 CCAA O=C1NC(=O)[C@H](CCC(=O)OCCc2cccs2)N1 170626526 WSYZRKHRFPWAAE-VIFPVBQESA-N 282.321 0.822 0 50 CCAA CN1CCN(C(=O)[C@@H]2CCCCO2)C[C@H]1c1nccn1C 276824969 XTSSKQHPMHCBOZ-STQMWFEESA-N 292.383 0.804 0 50 CCAA CC(C)N1C(=O)[C@H]2C=C[C@@H](C)[C@@H](C(=O)O)[C@@H]2C1=O 169616256 HGUUWQAHRIKVEZ-UTINFBMNSA-N 251.282 0.903 0 50 CCAA in-vitro CC1(C)C[C@H](O)CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 585132212 QOIYZLJWSYZBGQ-MCIONIFRSA-N 296.411 0.859 0 50 CCAA O=C(O)CN1C(=O)c2ccccc2CS1(=O)=O 738608857 KOLQZZNOGHVUQA-UHFFFAOYSA-N 255.251 0.057 0 50 CCAA CCOc1cnc(C(=O)NCCc2ccnn2C)cn1 189102663 WYQWSQJHGCDORX-UHFFFAOYSA-N 275.312 0.581 0 50 CCAA CCc1ncc(S(=O)(=O)N2CC[C@H](C(C)(C)O)C2)[nH]1 721818344 UORFKYUQYWMAPJ-VIFPVBQESA-N 287.385 0.754 0 50 CCAA C[C@H](NC(=O)C1(O)CCCC1)c1nn(C)cc1O 1640031055 RPDXQWNMEHONSG-QMMMGPOBSA-N 253.302 0.608 0 50 CCAA Cn1cc(N2C[C@@H](NC(=O)C[C@H]3CCCO3)CC2=O)cn1 1615586426 NBCUDLRBDHOGOO-CMPLNLGQSA-N 292.339 0.211 0 50 CCAA COCCOc1ccc(CN(C)C[C@@H]2C[C@@H](O)CN2)cc1 1615570097 XWCNVQWIVPEFKX-LSDHHAIUSA-N 294.395 0.866 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCNC[C@H]1C 124339766 VPEYZNYFLJYHCU-SECBINFHSA-N 266.345 0.236 0 50 CCAA Cc1ncc(Cl)c(C(=O)NC[C@H]2COCCN2)n1 638617839 CBKVNPUQIUMLSW-QMMMGPOBSA-N 270.720 0.157 0 50 CCAA Cn1c(C(=O)NCc2ncc[nH]2)cnc1Br 1857692065 MZSXQFCWLJNPMB-UHFFFAOYSA-N 284.117 0.836 0 50 CCAA COCCN(C)C(=O)[C@@H]1CC(=O)N(c2nnc(C)s2)C1 1857697988 CJVUBJFLMHFIDU-SECBINFHSA-N 298.368 0.304 0 50 CCAA Cc1[nH]c(N)nc1C(=O)NCc1n[nH]c2c1CCC2 1775977092 GUGDLSPYDANFKT-UHFFFAOYSA-N 260.301 0.442 0 50 CCAA O=C1CO[C@@]2(CCN(c3ncnc4[nH]ccc34)C2)CN1 1772816923 BGEDLFOYZLEWRZ-ZDUSSCGKSA-N 273.296 0.053 0 50 CCAA CC(C)CN1CC[C@H](CNC(=O)c2c[nH]nn2)C1 161963914 KBYPRWXSRZIJPY-SNVBAGLBSA-N 251.334 0.512 0 50 CCAA Cc1cc(CC(=O)N2CCN3CCOC[C@H]3C2)cc(C)n1 1857688544 OSNGAROOCICNLJ-OAHLLOKOSA-N 289.379 0.784 0 50 CCAA C[C@H]1CN2C[C@@H](NC(=O)c3c(O)cccc3O)C[C@H]2CO1 1857720656 DMNGIRWZAQOUNN-DCAQKATOSA-N 292.335 0.689 0 50 CCAA CCC[C@@]1(CO)CN(Cc2cc(O)nc(O)n2)CC[C@H]1O 1857725476 YEGVBQSCEKGZBR-RISCZKNCSA-N 297.355 0.233 0 50 CCAA O=C([C@@H]1C[C@H]2CC[C@H]1NC2)N1CCC[C@@H](n2ccnn2)C1 333555542 KDOOBEBJKYNANY-AAVRWANBSA-N 289.383 0.830 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)[C@H]1COc2ccccc21 129422088 OOMQLELAXSGPGJ-PWSUYJOCSA-N 291.303 0.865 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)CCCO1 263933633 LURKBUVVYXDZBC-SECBINFHSA-N 259.331 0.220 0 50 CCAA O[C@@H](CN1CCN(c2ncns2)CC1)C1(O)CCCC1 930631630 RPJALHFUISJHPI-NSHDSACASA-N 298.412 0.326 0 50 CCAA C[C@H]1CCCN1CCNC(=O)c1cnc(C(=O)O)cn1 842655399 FRZQGRKTENKZDE-VIFPVBQESA-N 278.312 0.389 0 50 CCAA C=CC(=O)NCCC(=O)N1CCN(C(=O)OC(C)(C)C)C1 1875367536 MASUTEBBVLROND-UHFFFAOYSA-N 297.355 0.716 0 50 CCAA CCCN(C)CC(=O)N1CCC2(CC1)C[C@H](O)CCO2 886113179 MGQJSSKUGCXMOR-CYBMUJFWSA-N 284.400 0.861 0 50 CCAA CC(C)C[C@H]1CN(C)CCN1C(=O)CCc1cnn[nH]1 886600530 WPTPUPGXMPKMND-ZDUSSCGKSA-N 279.388 0.926 0 50 CCAA Cc1c(S(=O)(=O)NCc2cnsc2)cnn1C 1775989851 SUWYIEWVYXEFFT-UHFFFAOYSA-N 272.355 0.664 0 50 CCAA O=c1[nH]nc(CNc2cc(N3CCCCC3)ncn2)[nH]1 156442501 DBDSJCBDFKJDKD-UHFFFAOYSA-N 275.316 0.490 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C)C(=O)C[C@@H](N)c1ccccc1 170682405 AMSBTOJPYHRJTI-DGCLKSJQSA-N 298.408 0.968 0 50 CCAA Cc1nc(N)ncc1C(=O)N(CC(=O)O)CC(C)C 426414383 ACFHVVHFHNBPBQ-UHFFFAOYSA-N 266.301 0.550 0 50 CCAA Cn1cncc1C(=O)NC[C@H]1Cc2ccccc2CN1 721056301 BUEJYEZYAIVSGK-CYBMUJFWSA-N 270.336 0.864 0 50 CCAA COc1ccc(S(=O)(=O)Nn2cnnc2)cc1 255552 UIECUMJMTJVYMO-UHFFFAOYSA-N 254.271 0.219 0 50 CCAA CCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 2873636 MYYDWEKSHNTAFM-UHFFFAOYSA-N 269.326 0.175 0 50 CCAA COC(=O)c1sccc1S(=O)(=O)N1CCOCC1 4484314 SJAMQADHULAEBR-UHFFFAOYSA-N 291.350 0.556 0 50 CCAA C[C@@H](C(=O)O)N1C(=O)c2ccccc2S1(=O)=O 4985872 QXJJZZQKDCRNJJ-LURJTMIESA-N 255.251 0.304 0 50 CCAA CCOC(=O)C1=C(C)N[C@@]2(O)c3ccccc3C(=O)[C@@]12O 6553092 AANNAPQFFOIMQA-LSDHHAIUSA-N 289.287 0.199 0 50 CCAA CC[C@@H](C)[C@@H](NCc1nc(N(C)C)[nH]c(=N)n1)C(=O)OC 411527344 FVYLUMABAGMRQX-PSASIEDQSA-N 296.375 0.027 0 50 CCAA C#CCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1 102282887 RAFMOXYVCNOXTP-UHFFFAOYSA-N 274.320 0.467 0 50 CCAA CC1=[N+]([O-])[C@H](N2CCOCC2)[C@@](O)(c2ccccc2)C1 100342305 FEGKNQQSTLDZBN-GJZGRUSLSA-N 276.336 0.907 0 50 CCAA COCCN1CCN(C(=O)c2ccn(C(C)C)n2)CC1=O 225534043 YJAZVOCQAZOSSP-UHFFFAOYSA-N 294.355 0.395 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2noc(-c3ccccc3)n2)C1 343742084 OHFNIXUFJUCQEX-QWRGUYRKSA-N 288.307 0.816 0 50 CCAA CCN(Cc1nc(COC)no1)C(=O)c1csnn1 55183059 GBQYJYOPWUMPCL-UHFFFAOYSA-N 283.313 0.730 0 50 CCAA CSCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C 253408119 WOSGXRNPPCZLTO-MNOVXSKESA-N 285.413 0.161 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2CN)C1 252214427 XGLSZGZIPJJKHS-QWRGUYRKSA-N 261.391 0.386 0 50 CCAA O=C(c1cc(C2CC2)on1)N1CCN2C(=O)CC[C@@H]2C1 252549739 RUCGAAHVUFGZOR-SNVBAGLBSA-N 275.308 0.999 0 50 CCAA O=c1c2ccsc2ncn1CCN1CCOCC1 32534839 NJGSIJPZNFKQHA-UHFFFAOYSA-N 265.338 0.790 0 50 CCAA CC(C)n1cc(C(=O)N(C)C[C@@H]2COCCO2)cn1 77378608 HOAAPINXJWOWGS-GFCCVEGCSA-N 267.329 0.951 0 50 CCAA Cc1cc(N2CC[C@H](O)[C@@H](O)C2)n2nc(C)cc2n1 72422560 NCKMPYSHJZNWAX-QWRGUYRKSA-N 262.313 0.278 0 50 CCAA CC(=O)NCc1ccc(C(=O)N2CCN[C@H](C)C2)s1 155076128 CSYJPKZLWAHUMF-SECBINFHSA-N 281.381 0.818 0 50 CCAA COc1cc(CC(=O)N[C@H]2CNC(=O)C2)ccc1C 330728411 GZMHNKGXBNZQKC-LLVKDONJSA-N 262.309 0.551 0 50 CCAA CCn1cnnc1NC(=O)C1(S(C)(=O)=O)CCC1 331749698 FJPBZABOQYZFSO-UHFFFAOYSA-N 272.330 0.204 0 50 CCAA COc1ccc(CN2C(=O)[C@@H](CC(=O)O)N=C2O)cc1 36579942 YNZIDRBYLJOMPS-SNVBAGLBSA-N 278.264 0.795 0 50 CCAA Cc1cc(C)n2nc(C(=O)NCCc3cnc[nH]3)nc2n1 78723209 WADJXGDBQYBFDJ-UHFFFAOYSA-N 285.311 0.437 0 50 CCAA C[C@@H]1CCCC[C@H]1C(=O)Nc1[nH]nnc1C(N)=O 333405369 ORXVSIKCWXKBOJ-RNFRBKRXSA-N 251.290 0.668 0 50 CCAA CO[C@@H]1OC[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1OC 43763622 OOANEMFXAULNFI-GFQSEFKGSA-N 282.292 0.591 0 50 CCAA CC(C)[C@H](NC(=O)NCc1cnn(C(C)C)c1)C(N)=O 426525787 CNJDKDOKPFDAGY-NSHDSACASA-N 281.360 0.773 0 50 CCAA CS[C@H](C)CC(=O)N1CCOC[C@@H]1CC(=O)O 263511062 CHPNSZARGBBKQV-BDAKNGLRSA-N 261.343 0.830 0 50 CCAA N[C@@H]1CCN(c2ncccc2C(=O)N2CCCC2)C[C@H]1O 82160875 DQMGXXCTQXTFSV-CHWSQXEVSA-N 290.367 0.216 0 50 CCAA CCN1CCN(CC(=O)N2CCSCC2)CC1 334490043 BTLBLRNUCHIHJU-UHFFFAOYSA-N 257.403 0.199 0 50 CCAA CCN1C[C@@H](CNC(=O)N(C)Cc2ncc[nH]2)CC1=O 426498774 VLCADVZFKAUDMC-SNVBAGLBSA-N 279.344 0.420 0 50 CCAA N[C@@H]1CCN(Cc2cccc(N3CCOCC3)c2)C[C@H]1O 82109467 CADQQJRYXLQRLQ-HZPDHXFCSA-N 291.395 0.417 0 50 CCAA O=C(Cc1cccs1)NCCc1n[nH]c(=O)[nH]1 220037234 GUCQGEYGSTYVPU-UHFFFAOYSA-N 252.299 0.061 0 50 CCAA CN1CCCC[C@H]1CCC(=O)NCCc1n[nH]c(=O)n1C 95356741 KKWNBYKXAGDUDF-NSHDSACASA-N 295.387 0.032 0 50 CCAA CCc1noc(CCNC(=O)[C@@H]2CCC(=O)N(CC)C2)n1 91435120 NBANTAKNAKLZKJ-SNVBAGLBSA-N 294.355 0.549 0 50 CCAA CN(CC(=O)N1CCOC2(CCCC2)C1)C1CCNCC1 534583228 RDKCOPIUEOVNDL-UHFFFAOYSA-N 295.427 0.842 0 50 CCAA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2cncnc2)CC1 299784131 HVQLIPPSUYLLMH-XYPYZODXSA-N 276.340 0.759 0 50 CCAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1cccc(O)n1)CC2 299771303 VWUSUUNCRLEJBO-IFUGULHKSA-N 292.335 0.932 0 50 CCAA Cc1c(C(=O)NCCCN2CCC[C@H](O)C2)ccn1C 299769333 MEDMEOYVVRJIEK-ZDUSSCGKSA-N 279.384 0.910 0 50 CCAA Cc1ncn(CCNC(=O)N[C@H]2CCNC2)c1C 828034720 QWBOIGOPDLPJII-NSHDSACASA-N 251.334 0.161 0 50 CCAA Cc1nonc1CC(=O)N1CCC2(CC1)CN(C)C(=O)O2 584895096 CRZWQXIOPQZEBC-UHFFFAOYSA-N 294.311 0.364 0 50 CCAA CN1CC[C@@H](CN(C)C(=O)c2nc3ncccc3[nH]2)C1 584884581 GFOUGZFGOCCEMM-SNVBAGLBSA-N 273.340 0.982 0 50 CCAA Cc1ncn(CCNC(=O)CN2CCCN(C)CC2)c1C 584903461 LUPIQJCYCQWIKB-UHFFFAOYSA-N 293.415 0.254 0 50 CCAA CC(C)(CN1CCOCC1)CN1CCCNC(=O)C1 670447970 URLHEVAREKMTLW-UHFFFAOYSA-N 269.389 0.167 0 50 CCAA CN1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1=O 1551505549 NKYVZYCLCKOAHQ-TZMCWYRMSA-N 288.351 0.095 0 50 CCAA C[C@@H]1OCCN(C(=O)C[C@H]2CSCCN2)[C@@H]1C 242324441 ZBHAOCKSHVDQJX-VWYCJHECSA-N 258.387 0.717 0 50 CCAA CC[C@@H](O)CN1CCC(CNC(=O)c2ccnnc2)CC1 952965412 HAPPHTRZPLRYIE-CQSZACIVSA-N 292.383 0.689 0 50 CCAA CCCCS(=O)(=O)N1CC[C@@H](C(=O)NCC)C1 952968374 GPBOQIAEVIXPOT-SNVBAGLBSA-N 262.375 0.574 0 50 CCAA Cc1nc(-c2ccncc2)nc(N2C[C@H](O)[C@H](O)C2)c1C 277552109 XSPDTBILUOCXNV-BETUJISGSA-N 286.335 0.697 0 50 CCAA CN1CC[C@H](NC(=O)CC(N)=O)[C@H]1c1ccccc1 270618355 GSKKMWGKERMKIR-SMDDNHRTSA-N 261.325 0.423 0 50 CCAA COC[C@H](C)CC(=O)Nc1ccn([C@@H]2CCNC2)n1 547691411 SSLJSZUNENDEAL-GHMZBOCLSA-N 266.345 1.029 0 50 CCAA CCN1CCCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1=O 190846030 PGGCCHHDRGQXCD-VXGBXAGGSA-N 268.357 0.882 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1cccc(C(N)=O)c1 643879182 MFRPKQUKAQVTDE-OAHLLOKOSA-N 292.335 0.851 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCS(=O)(=O)C1 192690894 LHXSCUPKHILKJC-FXPVBKGRSA-N 261.343 0.105 0 50 CCAA O=C(c1nccs1)N1CCN(c2ncc[nH]2)CC1 655032688 GGAQUEINZORFCY-UHFFFAOYSA-N 263.326 0.829 0 50 CCAA CN(CC1(CO)CCC1)c1nc(N)c2cnn(C)c2n1 1506399100 JXVAPYLGCYHRPJ-UHFFFAOYSA-N 276.344 0.544 0 50 CCAA C[C@@](O)(CO)CNC(=O)[C@H]1CCCC(F)(F)C1 302342182 FCNTUBVZWXNIER-WPRPVWTQSA-N 251.273 0.671 0 50 CCAA CC(C)[C@@H]1CN(S(=O)(=O)Cc2ccon2)CCO1 408138307 JLKXKKBUKPABEA-NSHDSACASA-N 274.342 0.861 0 50 CCAA Cc1nsnc1C(=O)N1C[C@@H]2CNC[C@]2(CN(C)C)C1 1772712041 ZSEFJPABBXCKAG-GWCFXTLKSA-N 295.412 0.070 0 50 CCAA CC(C)C[C@@H](N)C(=O)N(CCO)Cc1ncc[nH]1 1772703817 JNLADCRHVNZIIC-SNVBAGLBSA-N 254.334 0.104 0 50 CCAA CN(C)C[C@@]12CNC[C@@H]1CN(c1nccs1)C2 1772710065 UTKGDYWSESNPQA-ZYHUDNBSSA-N 252.387 0.731 0 50 CCAA CC[C@@]12COC(=O)N1CCN(C(=O)c1nsnc1C)C2 1857677267 UEAHKWGQBYJUHW-GFCCVEGCSA-N 296.352 0.903 0 50 CCAA Cc1nccc(N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)n1 1857684169 BMMVMVYWVVMKRW-BXUZGUMPSA-N 276.340 0.252 0 50 CCAA Cc1ccncc1C(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857728906 QUCQDAYQZWBGGT-DOMZBBRYSA-N 287.319 0.563 0 50 CCAA CCc1nccn1CCCNC(=O)[C@H]1CC[C@@H](O)[C@H](N)C1 1857741560 YEQPHSQJECZOED-YNEHKIRRSA-N 294.399 0.440 0 50 CCAA CC(C)(C)OC(=O)NC(C)(C)C(=O)OS(=O)(=O)O 2567741 VKOCPCPAMXLHHZ-UHFFFAOYSA-N 283.302 0.636 0 50 CCAA in-vitro O=C(O)[C@H]1CCCC[C@H]1C(=O)NCCCN1CCOCC1 2772395 LDDFOWFYSOXOAS-OLZOCXBDSA-N 298.383 0.716 0 50 CCAA C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)COC[C@H]1CCCO1 585125207 KHTPUBLDRFCPHX-YVECIDJPSA-N 298.383 0.648 0 50 CCAA CCn1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)c(C)n1 1704304294 CLKKLMKOAUTWBU-STQMWFEESA-N 292.383 0.614 0 50 CCAA Cc1nc(N(C)C)nc(N2CC[C@H](C(=O)O)[C@H](O)C2)c1C 1704335289 CLEAFXJKTXCAHV-WDEREUQCSA-N 294.355 0.431 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N1CCOCCO1 1875277677 XYBYLYIKYGZSBD-UHFFFAOYSA-N 270.314 0.633 0 50 CCAA CN1CC[C@H](CNC(=O)c2cc(O)nc(C3CC3)n2)C1=O 1875271752 MMJGYSKJZKZPST-SECBINFHSA-N 290.323 0.268 0 50 CCAA O=C(NC[C@H]1CCC(F)(F)C(=O)N1)c1ncccn1 1875293837 DWNUQQAPVVPKPM-SSDOTTSWSA-N 270.239 0.120 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1C(=O)Cn1ncc2cccnc21 876842276 IWVXIZJJTBTTRP-RYUDHWBXSA-N 291.330 0.590 0 50 CCAA C=CC(=O)N1CC=C[C@H](NC(=O)c2ccn3nccc3n2)C1 1875388069 LTLQEDGWNZDFTB-NSHDSACASA-N 297.318 0.412 0 50 CCAA CS(=O)(=O)NC(=O)[C@@H]1CCOc2ccccc21 1875390546 FBRYAFXWVHJERY-SECBINFHSA-N 255.295 0.629 0 50 CCAA Cc1c[nH]nc1CN(C)[C@H]1COC[C@H]1Oc1cnn(C)c1 886079434 ZYYCRYAFYZDQCA-UONOGXRCSA-N 291.355 0.730 0 50 CCAA O=C1CC[C@@H](C(=O)N2CC[C@@H](Cc3nccs3)C2)N1 890207095 YPDKIOBVDMWMKM-UWVGGRQHSA-N 279.365 0.813 0 50 CCAA O=C(CCn1cnnc1)N1CCC[C@@H](c2ncc[nH]2)C1 77471071 SFBNNEMUSVPDEL-LLVKDONJSA-N 274.328 0.798 0 50 CCAA O=C(CCc1cn[nH]c1)NCC[C@H]1CCCCN1 534647299 GEYNHIYDWYLAAW-GFCCVEGCSA-N 250.346 0.991 0 50 CCAA O=C(O)[C@H]1CC(=O)N(CCc2cnc(C3CC3)nc2)C1 2325787173 GZLMRFBPDACDDA-NSHDSACASA-N 275.308 0.830 0 50 CCAA Cc1cc(S(=O)(=O)NCCc2cnoc2)sn1 907383804 HHSDCGICZPFYCD-UHFFFAOYSA-N 273.339 0.961 0 50 CCAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccno3)CC2)[C@H]1O 2356135148 RCCHWJUZLHTAJQ-QWHCGFSZSA-N 296.323 0.182 0 50 CCAA CO[C@H]1CC[C@H](NC(=O)c2cnc(O)nc2O)CC1 2356156824 SLXCNPNNTAMEOU-ZKCHVHJHSA-N 267.285 0.575 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1N 3885369 OGFHXMSWYWAUDF-UHFFFAOYSA-N 256.327 0.598 0 50 CCAA COC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 28299272 IKVVRWZZSRWNMJ-UHFFFAOYSA-N 255.295 0.914 0 50 CCAA C[C@H]1CN(c2ncccc2S(N)(=O)=O)CCCO1 171880137 CZVLWCRUAKBOMF-VIFPVBQESA-N 271.342 0.344 0 50 CCAA O=C(O)CN(C(=O)c1cnc(Cl)cn1)C1CC1 230067681 XYSXSTQLYUVIKS-UHFFFAOYSA-N 255.661 0.819 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2cccc(O)c2)C[C@H]1O 77386783 CRZUMPPPUXPQMX-TZMCWYRMSA-N 265.309 0.740 0 50 CCAA N[C@@H]1CC[C@@H]1NC(=O)CCc1nc2ccccc2nc1O 72138873 LKTXNWABGVRMDJ-ZJUUUORDSA-N 286.335 0.874 0 50 CCAA NC(=O)CCN1CCN(c2ncccc2F)CC1 32523698 IDFUBNZMUPVVHL-UHFFFAOYSA-N 252.293 0.218 0 50 CCAA Cn1nnc2c(C(=O)N3CCc4n[nH]cc4C3)ccnc21 328736528 LGHRXNHELFAAJL-UHFFFAOYSA-N 283.295 0.285 0 50 CCAA CCn1nncc1C(=O)N(CCOC)[C@@H]1CCO[C@H]1C 329039028 ZRVCEWSEMNATFO-WDEREUQCSA-N 282.344 0.564 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N(C)Cc2cnn(C)c2)N(C)C1 330537873 QSLPUHOKKQYCBT-RYUDHWBXSA-N 266.345 0.098 0 50 CCAA Cc1cc(N(C)C[C@@H](O)CO)n2nc(C)cc2n1 72479076 CUPLXLJWHGQSGN-SNVBAGLBSA-N 250.302 0.136 0 50 CCAA Cc1cnc(C(=O)NC[C@@H]2CCCN2c2cccnn2)cn1 241644727 PSYCLWWBQYLBSG-LBPRGKRZSA-N 298.350 0.974 0 50 CCAA CC[C@@H](C(N)=O)N1CCc2c(nnn2-c2ccccc2)C1 366602568 OICLYRLIHPSIIC-ZDUSSCGKSA-N 285.351 0.889 0 50 CCAA CCO[C@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1O 219768147 UXAVUFVWQGNUIX-STQMWFEESA-N 264.325 0.622 0 50 CCAA CSc1ncc(CN2CC[C@H](NC(C)=O)C2)cn1 216419674 IWEHMGMZTGYDMO-NSHDSACASA-N 266.370 0.909 0 50 CCAA CN1C(=O)CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1=O 333537104 ZGDISXRZNUZHAB-NSHDSACASA-N 289.335 0.771 0 50 CCAA O=C1NCCCC[C@@H]1n1cnc2ccncc2c1=O 32553495 JDGIJOULIXLKPA-NSHDSACASA-N 258.281 0.633 0 50 CCAA CN1CCN(c2cnn(CC[C@@H]3CCOC3)c(=O)c2)CC1 72143107 HOFFOEDGWAPODN-CYBMUJFWSA-N 292.383 0.422 0 50 CCAA CN1CC[C@@H]2CCN(C(=O)CCc3cncn3C)[C@@H]2C1 339169942 KLPQGLXDTSREJM-TZMCWYRMSA-N 276.384 0.905 0 50 CCAA Nc1ncccc1CNC(=O)c1ccc2[nH]nnc2c1 219560523 XOSUTPHSQVXFEA-UHFFFAOYSA-N 268.280 0.865 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 335864952 MWABHHRSSFHCEH-VIFPVBQESA-N 270.354 0.830 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)CCc3ccncn3)[C@H]2C1 285991946 YMAXXDMBXUEYDK-KBPBESRZSA-N 290.367 0.341 0 50 CCAA C[C@H]1OCCN(Cc2cnn3ccccc23)[C@@H]1C(N)=O 284604850 LSATXZUFULODNF-MFKMUULPSA-N 274.324 0.409 0 50 CCAA CC(=O)N1CCN(c2cc([C@@H]3CCOC3)nc(C)n2)CC1 426428236 FTIYTABUXJVCBQ-CYBMUJFWSA-N 290.367 0.957 0 50 CCAA C[C@@]12NC(=S)N[C@@H](c3ccccc3O1)[C@@H]2C(N)=O 226441256 LLGXLATYNRJHFH-VDDIYKPWSA-N 263.322 0.416 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)Nc2ccon2)CC1 180499721 SJHMTJVFSOSHOH-UHFFFAOYSA-N 288.329 0.174 0 50 CCAA CN(C)c1cnn(Cc2noc([C@@H]3CCCO3)n2)c(=O)c1 95378942 LESXPADMGKKXGE-JTQLQIEISA-N 291.311 0.592 0 50 CCAA CC(C)N1CCO[C@@H](CC(=O)NCc2ccon2)C1 97547438 NVIHVCLURQZJBM-LBPRGKRZSA-N 267.329 0.790 0 50 CCAA Cc1nc(CNC(=O)CC[C@H]2CCCN(C)C2)cc(=O)[nH]1 95389367 JVHQWNQQYDCSJI-GFCCVEGCSA-N 292.383 0.817 0 50 CCAA Cc1ccc(NC(=O)N[C@@]2(CO)CCOC2)nc1 184266537 IIIAXCANTNIBST-GFCCVEGCSA-N 251.286 0.663 0 50 CCAA CC(C)N1C[C@H](C(=O)NCCn2ccnn2)CCC1=O 299797001 PEBOOSXGAITIAT-LLVKDONJSA-N 279.344 0.041 0 50 CCAA Cc1cc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)nc(N)n1 299789416 ZTZVZHLFEUJUFI-QWRGUYRKSA-N 287.327 0.309 0 50 CCAA CN(CCN1CCOCC1)C(=O)c1nc2ncccc2[nH]1 584891796 WWOJZYHJKMLVJL-UHFFFAOYSA-N 289.339 0.362 0 50 CCAA CN(C)C(=O)O[C@@H]1CCN(C(=O)c2ccc(O)cn2)C1 1468279025 CLXWQVAWGGACMH-SNVBAGLBSA-N 279.296 0.700 0 50 CCAA C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H](C(=O)O)O1 630199969 MDZDVBMSIHJYLK-MWLCHTKSSA-N 264.281 0.325 0 50 CCAA Cc1nccc(N2CCN(C(=O)c3cncn3C)CC2)n1 278377459 MVTLADZTCSFFQH-UHFFFAOYSA-N 286.339 0.481 0 50 CCAA CO[C@@H](C)CS(=O)(=O)N1CCC(CNC(C)=O)CC1 170616485 KGYVXQAUROXFMS-JTQLQIEISA-N 292.401 0.199 0 50 CCAA CCOC(=O)[C@@H]1[C@@H](N)CCN1C(=O)OC(C)(C)C 170689181 OPTQHFDIQOZOIL-IUCAKERBSA-N 258.318 0.886 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1ccc(OC)nc1 643764471 YSJROCDYQRVXGF-AWEZNQCLSA-N 279.340 0.557 0 50 CCAA CC(=O)N1CC[C@](N)(C(=O)Nc2ccc(C)nc2)C1 643774680 KTQWYGXAYCJZEA-CYBMUJFWSA-N 262.313 0.278 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1cnn(C)c1 643878545 XNUICQHHZKUADC-GFCCVEGCSA-N 253.302 0.486 0 50 CCAA CC[C@@H](C(=O)O)N1CCC[C@H](CN2CCOCC2)C1 191431212 GBPIJHBJWYMBBY-OLZOCXBDSA-N 270.373 0.894 0 50 CCAA CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NC(C)=O 675861045 CEILDPXROWGRKC-NEPJUHHUSA-N 276.402 0.961 0 50 CCAA CC(=O)c1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 199870633 MKWXGSGTYZTMTL-UHFFFAOYSA-N 291.350 0.615 0 50 CCAA CC1(C(=O)NCc2cccc(S(C)(=O)=O)c2)COC1 1615589966 HMOSLDGIUHWTRA-UHFFFAOYSA-N 283.349 0.743 0 50 CCAA Cn1nnc(C(=O)N2CCO[C@H](c3ccccc3)CC2)n1 1615616134 WPSYJRATFFNCTI-LBPRGKRZSA-N 287.323 0.814 0 50 CCAA CN(C[C@@H]1CCCN(CCO)C1)C(=O)c1cnc(N)s1 1506420920 BZKNYYWEQYGWIL-JTQLQIEISA-N 298.412 0.502 0 50 CCAA Cc1nc(=NC[C@H](CO)Cc2ccco2)n(C)[nH]1 1704336673 JFJHFSJGMBCFET-SNVBAGLBSA-N 250.302 0.402 0 50 CCAA CCN(C)c1cc(N2CCN3C(=O)OC[C@@H]3C2)ncn1 1704303299 GOJILRWYOBWWIS-JTQLQIEISA-N 277.328 0.574 0 50 CCAA CCN(CC)C(=O)NCc1ccc(S(N)(=O)=O)cc1 4839038 PHMDVSLPKYKGAP-UHFFFAOYSA-N 285.369 0.885 0 50 CCAA Cc1cc(C(=O)N2CCNCC2)c2cnn(C)c2n1 237845570 BQHLPPXVBXTTSS-UHFFFAOYSA-N 259.313 0.322 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(N)=O 4839622 MJSXUIJCYJACGW-UHFFFAOYSA-N 284.337 0.115 0 50 CCAA O=C(c1cccs1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772712176 OSCKXKGKNREAAO-RKDXNWHRSA-N 253.323 0.421 0 50 CCAA COc1ccc(OC[C@H](O)CN2CCOCC2)cc1 19760408 OWXARFYNABKCRR-GFCCVEGCSA-N 267.325 0.767 0 50 CCAA COc1cncc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)n1 625220982 OMCARSOFPUXOQI-GXTWGEPZSA-N 292.383 0.638 0 50 CCAA CCOC[C@@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CCNC2)C1 662488120 JYFRGMQJBOOTLW-NEPJUHHUSA-N 292.383 0.985 0 50 CCAA COC(=O)CCCC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 249596390 PUZMCLTYEBZXGO-XXBVRILMSA-N 267.325 0.557 0 50 CCAA COc1ccccc1-c1cn(Cc2nnnn2C)nn1 900538085 ZEIUJRWTDGXZMO-UHFFFAOYSA-N 271.284 0.526 0 50 CCAA O=C(O)[C@H]1[C@H]2CN(C(=O)[C@@H]3CCc4cncn4C3)CC[C@H]21 910851633 NGFZEAMMAIMJLI-FOUMNBMASA-N 289.335 0.625 0 50 CCAA COc1cccc(CCNC(=O)Nc2nnn(C)n2)c1 932276434 YMEGHVIYNWOMJQ-UHFFFAOYSA-N 276.300 0.583 0 50 CCAA NC(=O)[C@H]1CCCN(CC(=O)Nc2ccccn2)C1 1875281803 XYCKWBFGTBNACQ-JTQLQIEISA-N 262.313 0.217 0 50 CCAA CCOC(=O)[C@H](CSC)NC(=O)C1(n2cncn2)CC1 1875283875 HGUIYVVVGCMNFJ-VIFPVBQESA-N 298.368 0.178 0 50 CCAA CN(c1ccccn1)S(=O)(=O)C[C@@H]1COCCO1 1875288616 PCLAFCMMLJUESF-JTQLQIEISA-N 272.326 0.263 0 50 CCAA Cn1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)O)C2)n1 1875277918 NNYBJHJWFLZJSV-RJBGGMTGSA-N 289.335 0.893 0 50 CCAA O=C(N[C@@H]1C[C@@]12CC2(F)F)C1(n2ccnn2)CC1 1875404502 KXXONGKQGCSVMV-VXNVDRBHSA-N 254.240 0.681 0 50 CCAA Cc1cc(C(=O)NC[C@]2(CO)COC[C@@H](C)N2C)c[nH]1 1875402415 FUMAVZMHUOKWNR-RISCZKNCSA-N 281.356 0.135 0 50 CCAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cn[nH]c2)C1 888077708 QNWZXCKMXICJDU-NXEZZACHSA-N 261.285 0.735 0 50 CCAA CN1CCC(O)(CNC2CSCCSC2)CC1 584898020 MGTFSNMGQPPCRM-UHFFFAOYSA-N 276.471 0.881 0 50 CCAA CN(CCF)S(=O)(=O)c1ccc(OCC(=O)O)cc1 906998077 TXJCWQYQWJJMKQ-UHFFFAOYSA-N 291.300 0.740 0 50 CCAA CN1CCN(CCCNc2ncccc2C(=O)O)CC1 746994799 QLAIHCLZAYJYLW-UHFFFAOYSA-N 278.356 0.829 0 50 CCAA CNC[C@@H](O)CN1CCN(c2ccccc2OC)CC1 227553 AJBTULAKPQTSBZ-CYBMUJFWSA-N 279.384 0.398 0 50 CCAA O=C(O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 287642 IURIKCONOHHESK-QMMMGPOBSA-N 279.701 0.064 0 50 CCAA Cc1nc2c(c(=O)n1C)CN(Cc1ccn3ncnc3c1)C2 2356170894 BUWLNFCTZJKJJG-UHFFFAOYSA-N 296.334 0.647 0 50 CCAA CCOCC[C@@H](O)CN1CCN(C[C@@H](O)CC)CC1 225530115 QGYFNUCDPODDMJ-UONOGXRCSA-N 274.405 0.162 0 50 CCAA Cc1oncc1CN1CCC[C@](O)(Cn2ccnn2)C1 343926772 DFTYGALXWRIMAL-CYBMUJFWSA-N 277.328 0.602 0 50 CCAA CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10323934 WOWRDINEBYBZIO-QMMMGPOBSA-N 268.338 0.757 0 50 CCAA CS(=O)(=O)c1ccc(C(=O)N=c2cccn[nH]2)cc1 346079813 ZXQXFKGWWQZDFZ-UHFFFAOYSA-N 277.305 0.554 0 50 CCAA CS(=O)(=O)N1CCO[C@H](CNC2CCCC2)C1 65373876 WHNGBNWXQJQDSW-LLVKDONJSA-N 262.375 0.179 0 50 CCAA CN1CCN(CCNC(=O)c2ccc(F)cc2)CC1 20819884 RFMIARRRDOMRQI-UHFFFAOYSA-N 265.332 0.803 0 50 CCAA C[C@H](c1nnnn1C)S(=O)(=O)c1nccs1 330960356 ORDUHLCMNJTVON-RXMQYKEDSA-N 259.316 0.202 0 50 CCAA CNC(=O)[C@H](C)N(C)Cc1cnc(N2CCCC2)nc1 67758338 VBIABTGANAAVDG-NSHDSACASA-N 277.372 0.643 0 50 CCAA CN(C)C[C@]1(O)CCCN(Cc2cccnc2N)C1 72407304 MGBSCHDMTKEGQT-CQSZACIVSA-N 264.373 0.552 0 50 CCAA NC1(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)CC1 218949865 UDLKYAPXAHOZHP-CHWSQXEVSA-N 294.326 0.970 0 50 CCAA CC[C@H]1CC[C@H](C(=O)N2CCc3c(ncn(C)c3=O)C2)O1 328644826 ZKNMXKAMUWMGTE-GXFFZTMASA-N 291.351 0.623 0 50 CCAA CN1CCO[C@@H](CN(CC2CC2)C(=O)Nc2ccon2)C1 328635570 NKYIECIIRYAMBO-GFCCVEGCSA-N 294.355 1.249 0 50 CCAA CC(C)(N)CN1C[C@@H](C(=O)O)[C@H](c2ccncc2)C1 219591353 ITXIDTONOHKYOY-NWDGAFQWSA-N 263.341 0.919 0 50 CCAA CC[C@H](C(N)=O)N1CCC[C@H]1[C@H]1CCCN1C(C)=O 257365332 LNAPRRBTQWBTNU-UPJWGTAASA-N 267.373 0.726 0 50 CCAA CC(C)N1CCN([C@H]2CCN(C(=O)C(C)(C)O)C2)CC1 365265988 NBHMNIKSTFXWHF-ZDUSSCGKSA-N 283.416 0.384 0 50 CCAA N[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@H]3NC4)C[C@H]21 333301803 IYIYXEKYHZOWLF-BXLXJSPXSA-N 277.412 0.960 0 50 CCAA NS(=O)(=O)CCCC(=O)N1CCC[C@H]1c1ccccn1 72458421 FPUSJFHZANQTOZ-LBPRGKRZSA-N 297.380 0.814 0 50 CCAA NC(=O)c1ncccc1C(=O)NC[C@H]1CCC[C@@H](CO)C1 492653175 MKDCEBKVAABCNF-WDEREUQCSA-N 291.351 0.709 0 50 CCAA C[C@H](Oc1ccccn1)C(=O)N1CC2(CN(C)C(=O)O2)C1 496220536 YNEHASPCZRWTOC-JTQLQIEISA-N 291.307 0.512 0 50 CCAA CN1CC[C@]2(CCN(S(=O)(=O)c3ccco3)C2)C1 292064934 PEKSZVOQJHWXBE-LBPRGKRZSA-N 270.354 0.996 0 50 CCAA CN(CCCCN1CCOCC1)C(=O)c1cnco1 222532964 INNRPNGSTRHGNV-UHFFFAOYSA-N 267.329 0.859 0 50 CCAA C[C@@H](Cc1cnccn1)N(C)C(=O)CN1CCOCC1 223373697 KMKWRLDGWGVNPB-LBPRGKRZSA-N 278.356 0.198 0 50 CCAA COc1cccc(N2CCN(C(=O)CCO)CC2=O)c1 82166520 BMXPQNKYLHRVQS-UHFFFAOYSA-N 278.308 0.253 0 50 CCAA CCN1CCC[C@@H](C(=O)N2CCN(c3nc[nH]n3)CC2)C1 426370378 GIRGPKQRZRCPPQ-GFCCVEGCSA-N 292.387 0.185 0 50 CCAA CCN1CCC[C@@](C)(C(=O)NCCCn2ccnn2)C1 95359468 GHOUHYCEDKUGIZ-CQSZACIVSA-N 279.388 0.906 0 50 CCAA Cc1nonc1OCCNC(=O)[C@H]1CCCCCN1C 91819811 XXIIMWOADMSYMW-LLVKDONJSA-N 282.344 0.747 0 50 CCAA O=C(NCCc1ccccc1F)N1C[C@@H]2NCCO[C@H]2C1 426549902 JEUOOAHBIJYUAQ-KBPBESRZSA-N 293.342 0.750 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1c1ncccn1 91713637 HILJNIBPPZRLLC-MNOVXSKESA-N 263.345 0.251 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)CCn2cnnc2)C1 91519446 WXGBFNDEDBYCKU-CQSZACIVSA-N 296.371 0.306 0 50 CCAA O=C(NCCn1cccc1)c1ccc(Cn2cnnn2)cc1 524735132 XVJVSZDFNIMVSQ-UHFFFAOYSA-N 296.334 0.953 0 50 CCAA COc1cccc(CN2CCO[C@H]3CNC[C@H]32)c1OC 299742208 IREPPMAQVHVRTO-OCCSQVGLSA-N 278.352 0.876 0 50 CCAA Cc1c(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cnn1C(C)C 299743824 MMAAEVUPZCCHHG-KOLCDFICSA-N 282.319 0.810 0 50 CCAA CCN1CCN(CC(=O)N[C@H](C)c2ncc(C)[nH]2)CC1 534638581 DYBAUZMOEDDLQR-GFCCVEGCSA-N 279.388 0.533 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCN(c2ccc(Cl)cn2)CC1 534671696 FOZGGQOZJPYMOL-LBPRGKRZSA-N 292.770 0.912 0 50 CCAA O=C(CCC(=O)c1ccccc1)N[C@@H]1CNC[C@H]1O 534587398 VEJXGZIFFOVQTF-DGCLKSJQSA-N 262.309 0.098 0 50 CCAA CS(=O)(=O)N1CCC(c2ncc(C(=O)O)s2)CC1 629335507 WPAYTRCJSADZEU-UHFFFAOYSA-N 290.366 0.980 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCCn1cc(C)cn1 534592715 LAFUPUSZXRMNHO-SECBINFHSA-N 254.290 0.052 0 50 CCAA O=C(CCCN1Cc2ccccc2C1)N[C@@H]1CNC[C@H]1O 534644710 CHNFIPBZFIXOBZ-HUUCEWRRSA-N 289.379 0.231 0 50 CCAA CC(=O)NCC1CCN(CCn2cnnc2)CC1 820581085 DJWGJTIJXLSVOP-UHFFFAOYSA-N 251.334 0.126 0 50 CCAA CN(CC(=O)NC1CC1)C[C@H]1CCN(C)C1(C)C 823690492 YNRNPXJSADUPPT-LLVKDONJSA-N 253.390 0.927 0 50 CCAA Cc1ncc(CO)c(CN2CC[C@H](N(C)C)[C@@H](O)C2)c1O 828832721 BHJGQUDGESBRSC-KBPBESRZSA-N 295.383 0.085 0 50 CCAA COCCNS(=O)(=O)CC(=O)c1ccccc1 725375705 MSWXXKHFPOVCIN-UHFFFAOYSA-N 257.311 0.435 0 50 CCAA COc1cccc2ncn(CCCc3nn[nH]n3)c(=O)c12 584898837 OTHJDIMZHQHAOW-UHFFFAOYSA-N 286.295 0.551 0 50 CCAA CNC(=O)C[C@H]1CCN(CCCn2cccn2)C1 670444010 ULBVTWNISPOOET-GFCCVEGCSA-N 250.346 0.731 0 50 CCAA O=C(COC[C@H]1CCCO1)NCCNc1cccc(F)n1 1093710537 HYLQSSJUCLGPNV-LLVKDONJSA-N 297.330 0.944 0 50 CCAA CCCc1cc(=O)n2[nH]c(NC(=O)c3cnccn3)nc2n1 1351267388 UNDWYGUJVPDZMY-UHFFFAOYSA-N 299.294 0.412 0 50 CCAA CC[C@@H]1CN(C[C@H]2CCCN(S(C)(=O)=O)C2)CCO1 245304971 HITVGYKIGFJMSN-CHWSQXEVSA-N 290.429 0.769 0 50 CCAA N[C@@H](c1ccns1)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958528678 YQEBGJMQQFLZNT-OAAZLCILSA-N 288.394 0.614 0 50 CCAA COC[C@H]1CCCN(c2nc(N)c3cnn(C)c3n2)C1 276266799 NJOIPQHOVBDFJB-VIFPVBQESA-N 276.344 0.808 0 50 CCAA Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@@H](O)C(C)(C)C1 279169129 AXORSQMIVOCDNB-GFCCVEGCSA-N 294.351 0.482 0 50 CCAA Cn1[nH]c(=NC(=O)c2ccc3c(c2)B(O)OC3)cc1C1CC1 584994048 XCNANBSXENCEPU-UHFFFAOYSA-N 297.123 0.189 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)[C@H]1CCCO1 643848030 VBSUKGDAFSLRSH-SKDRFNHKSA-N 257.286 0.258 0 50 CCAA N[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 191371213 TZZZUCZDJDQISS-VGMNWLOBSA-N 293.289 0.393 0 50 CCAA C[C@H](N)[C@H]1CCCCN1C(=O)CCn1ccccc1=O 237533885 HIPRBJOGTIMRLM-QWHCGFSZSA-N 277.368 0.967 0 50 CCAA Cc1cnc(COCC(=O)N[C@@H]2CCC(=O)NC2(C)C)o1 671832730 ZHNKURIIIUDFAL-SNVBAGLBSA-N 295.339 0.673 0 50 CCAA CC(C)c1cc(N2CCN(C)[C@H](CO)C2)ncn1 95392799 URGAIOCFAOFQHP-NSHDSACASA-N 250.346 0.713 0 50 CCAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)c1ccnnc1C 1615547388 HVNUWPLRJRNGAI-NSHDSACASA-N 276.340 0.820 0 50 CCAA CN1CCC2(CC1)CN(c1cncc(N)n1)CCO2 1857697207 KJGQWLRMNYCUIP-UHFFFAOYSA-N 263.345 0.360 0 50 CCAA Cc1csc(CN(C)C(=O)[C@H]2CC[C@@H](N)[C@H](O)C2)n1 1857717955 HRUPNAGCDAHOBT-HBNTYKKESA-N 283.397 0.898 0 50 CCAA COC(=O)c1c(I)cnn1C 35731 OTYGSOJERQNQFY-UHFFFAOYSA-N 266.038 0.811 0 50 CCAA in-vitro CCNc1ccnc(N2C[C@H]3COC[C@@H](C2)CN3C)n1 1704309945 TZHGBDYCNWLFTR-NEPJUHHUSA-N 277.372 0.675 0 50 CCAA Cc1ccc(F)cc1C(=O)N[C@H]1CCNC[C@@H]1O 219311221 VTXBDUBJXACZPN-RYUDHWBXSA-N 252.289 0.587 0 50 CCAA Cc1ncc(CN2C[C@@H]3COC[C@H](C2)N(C)C3)cn1 1772702397 RVPUCETURKPZMS-KGLIPLIRSA-N 262.357 0.547 0 50 CCAA CSCCNc1nc2nonc2nc1N1CCOCC1 12467601 BWNZXEQBCXHCQT-UHFFFAOYSA-N 296.356 0.624 0 50 CCAA COc1cccc(C(=O)NCCN2CCOCC2)c1OC 13744409 MCFOZIYESFIYDC-UHFFFAOYSA-N 294.351 0.766 0 50 CCAA COCNc1nc(N(C)C)nc(-n2cnc(SC)n2)n1 16651603 LKGJVTSZBWLEAN-UHFFFAOYSA-N 296.360 0.256 0 50 CCAA COC(=O)c1ccc(OC[C@@H](O)CN2CCOCC2)cc1 19882277 DXTSLKZHVJRFQQ-ZDUSSCGKSA-N 295.335 0.545 0 50 CCAA CN(C[C@@H]1Cc2ccccc2O1)c1nc(C(=O)O)nn1C 1857679824 XAKPLDBYWHRGCV-JTQLQIEISA-N 288.307 0.953 0 50 CCAA Cc1cn2cccc(C(=O)N3C[C@@H]4CC(=O)N[C@@H]4C3)c2n1 1857695713 VHEZHTQNHZYPOU-CMPLNLGQSA-N 284.319 0.603 0 50 CCAA N[C@H]1C[C@H](C(=O)NCc2ccnc3ccccc23)C[C@@H]1O 1857732062 APHBDUZLPMKJQE-WHOFXGATSA-N 285.347 0.949 0 50 CCAA COc1ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1C 1857738630 QKDKRBQGWBKOAS-OLZOCXBDSA-N 279.336 0.819 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)C[C@H]1C(N)=O 408473917 RVQGOQLLHDAIMO-ZWNOBZJWSA-N 299.334 0.461 0 50 CCAA CC[C@H]1C(=O)NCCN1C(=O)c1cc(C(C)C)n(C)n1 225438460 PZZUBBSMKTYORL-NSHDSACASA-N 278.356 0.894 0 50 CCAA Cc1ncccc1NC(=O)C[C@H]1CS(=O)(=O)CCN1C 644377959 SYWAOWXOWQQZOU-NSHDSACASA-N 297.380 0.447 0 50 CCAA O=C([C@H]1C[C@H]2CC[C@H]1O2)N1CCN(c2cccnn2)CC1 265080818 MSEGBZIQUBRALT-FRRDWIJNSA-N 288.351 0.693 0 50 CCAA O=C(NCCC(=O)N1CC(F)(F)C1)c1ncccc1O 1875293244 IKAVWIQVMZSUHB-UHFFFAOYSA-N 285.250 0.385 0 50 CCAA CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)N1CCOCCN1 1875267866 IRMMYYWQJPMGFO-CHWSQXEVSA-N 286.372 0.570 0 50 CCAA O=C(CN1CCCCC1=O)N=c1nc(C2CC2)[nH]s1 1875268323 VZSQZKPBLZRJAO-UHFFFAOYSA-N 280.353 0.788 0 50 CCAA NC(=O)[C@H]1C[C@@H]2[C@@H](NC(=O)c3ccnc4[nH]ncc34)C[C@H]2C1 1875358850 LRODTSFDVFSRHO-LBRZWBMMSA-N 299.334 0.588 0 50 CCAA COC(=O)/C=C/CNC(=O)COCc1cc(C)on1 1875333462 WKELNRHYOKTQLQ-ONEGZZNKSA-N 268.269 0.345 0 50 CCAA COc1ccc(CN(C)C(=O)CNCCN)cc1C 888096377 FEWULWNMRQNHRK-UHFFFAOYSA-N 265.357 0.510 0 50 CCAA Cc1ncc(CN2CCc3nn(C)c(=O)cc3C2)n1C 667677137 JOWJMQOWUBJKPG-UHFFFAOYSA-N 273.340 0.381 0 50 CCAA CC1(C(=O)O)CCN(CC[C@H]2CCS(=O)(=O)C2)CC1 696841471 OHCXSJYESCXFEM-NSHDSACASA-N 289.397 0.998 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)n2cnc(C=O)c2)cc1 585145541 QRNMCEIARIMVAS-UHFFFAOYSA-N 293.304 0.891 0 50 CCAA CC(C)(CCC(=O)N1CC=C[C@@H]1C(=O)O)N1CCOCC1 2325803098 PXVGDTRMJBPFCZ-GFCCVEGCSA-N 296.367 0.729 0 50 CCAA CCOC(=O)[C@@H]1CN(C(=O)[C@H](N)[C@@H]2CC=CCC2)CCO1 2325829147 AGHFZOKTMLPKPV-FRRDWIJNSA-N 296.367 0.461 0 50 CCAA C[C@@H](NC1=NC[C@]2(CO)COCCN12)c1ccns1 2325864244 JRTCJFWFEXWAIY-SKDRFNHKSA-N 282.369 0.227 0 50 CCAA CC(C)NS(=O)(=O)c1ccc(OCC(N)=O)cc1 469715 NQHULBAFPUEXFW-UHFFFAOYSA-N 272.326 0.237 0 50 CCAA CN(C(=O)CCn1cnnc1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356159025 IQVRRZBTIHGGNQ-TUAOUCFPSA-N 291.355 0.041 0 50 CCAA Cc1nc(CN2CCO[C@H](c3nnn(C)n3)C2)sc1C 2356168151 RMBJNQGYHWLJOE-JTQLQIEISA-N 294.384 0.857 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C[C@H]2[C@@H]2[C@@H]1[C@H]1C=C[C@H]2CC1 101050121 DOOUAZUNWYDYSF-DCHHYWPUSA-N 259.309 0.676 0 50 CCAA CN(C)c1nccnc1NC[C@@H]1CC(=O)N(C2CC2)C1 302190504 KWEGSNGYGAAUCE-JTQLQIEISA-N 275.356 0.965 0 50 CCAA O=C(c1cncc(-n2ccnn2)c1)N1C[C@@H](F)C[C@H]1CO 347405031 HOSSUMFGFMNLKL-JQWIXIFHSA-N 291.286 0.207 0 50 CCAA C[C@@]1(C(=O)N[C@H]2CCCCNC2=O)CCCCN1 136159305 RCZXFSVTJXNGRG-GWCFXTLKSA-N 253.346 0.304 0 50 CCAA COc1ccnc(N2C[C@@H](O)C[C@@H]2c2nc(C)no2)n1 352897433 MWKSPGLAIMLHMF-DTWKUNHWSA-N 277.284 0.489 0 50 CCAA C[C@H]1CN(C(=O)[C@H](C)N[C@H](C)Cn2cccn2)C[C@@H](C)O1 229347412 PVSLXIVFSAGTSL-MQYQWHSLSA-N 294.399 0.886 0 50 CCAA CC1(C)CN(C(=O)c2ccccc2OCC(N)=O)CCN1 423708626 MWBGJSHQXKMZAK-UHFFFAOYSA-N 291.351 0.375 0 50 CCAA COc1ccc(-n2nnc(C(=O)O)c2CC(=O)O)cc1 168523 AOAXTDWLQWKTNT-UHFFFAOYSA-N 277.236 0.601 0 50 CCAA C[C@@H]1CC[C@H](C(=O)N2CCO[C@@H](CN(C)CC(=N)O)C2)O1 328627410 GBRDPDAEEYOGOB-GRYCIOLGSA-N 299.371 0.248 0 50 CCAA Cc1nc(N(C)C)nc(N2CCN(C[C@H](C)O)C[C@@H]2C)n1 230196447 DEFBRTVCTYBULE-QWRGUYRKSA-N 294.403 0.137 0 50 CCAA Cc1ccc(F)cc1C(=O)N1CCN[C@H](C(=O)O)C1 71708030 LNJPXVIJOZZBPA-NSHDSACASA-N 266.272 0.633 0 50 CCAA NC(=O)NCC(=O)N1CCCN(c2ccc(F)cc2)CC1 77504878 BKQOTMVWUVSTDM-UHFFFAOYSA-N 294.330 0.533 0 50 CCAA CC(C)n1ncnc1CN1CCCNC(=O)[C@H]1C 366107671 IKMOFDLMNUOFQN-SNVBAGLBSA-N 251.334 0.569 0 50 CCAA C=CC(=O)NCCC(=O)N(C)Cc1cnn(C)c1 490763101 YUKXNGPZILYRSS-UHFFFAOYSA-N 250.302 0.071 0 50 CCAA CCc1cccnc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 372457437 KAHMEDBZUBECKR-SNVBAGLBSA-N 288.311 0.371 0 50 CCAA Cc1noc2ncnc(N3CC[C@@]4(CNC(=O)C4)C3)c12 374485627 ALJPVBMCPPDZFW-CYBMUJFWSA-N 273.296 0.643 0 50 CCAA C/C=C/CC(=O)N1CC[C@@H](CNC(=O)OCC)[C@H](O)C1 72407181 YTMLJESTZDQEPM-UHOOHFNOSA-N 284.356 0.908 0 50 CCAA C[C@@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)[C@@H]1C(=O)O 263109405 YHJZWYYSLKCVJO-KCJUWKMLSA-N 293.323 0.449 0 50 CCAA C[C@H](C(=O)N1CCOC[C@@H]1CC(=O)O)n1cccn1 128208441 LFSYTMXCCOARPW-ZJUUUORDSA-N 267.285 0.146 0 50 CCAA Cc1ncsc1CCCNC(=O)CNC(=O)N(C)C 216045137 FIKKTWFZBRUTPL-UHFFFAOYSA-N 284.385 0.772 0 50 CCAA Cn1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cn1 42006029 UNPHRSIPIXOGHY-UHFFFAOYSA-N 290.367 0.895 0 50 CCAA Cc1nc2ccc(N3CCc4ncnc(O)c4C3)nn2n1 286080278 CXERXSOZDVTQBA-UHFFFAOYSA-N 283.295 0.491 0 50 CCAA CCOc1cc(N2CCC[C@H](c3nc(=O)[nH][nH]3)C2)ncn1 286449764 MWTNPNYBRXSEQY-VIFPVBQESA-N 290.327 0.671 0 50 CCAA CCCCc1cn(CC2CCN(C(=O)CN)CC2)nn1 48200514 FEDDLOLGKANVOK-UHFFFAOYSA-N 279.388 0.818 0 50 CCAA COc1cccc(CN2CCN(C(=O)[C@H](C)O)CC2)n1 179544943 MIQQJPMWLZZWLD-NSHDSACASA-N 279.340 0.115 0 50 CCAA CCN(CCN(C)C)C(=O)N[C@H](C)c1ncnn1CC 534576110 RUIDTDFQSBJUAX-LLVKDONJSA-N 282.392 0.952 0 50 CCAA CS(=O)(=O)N1CCn2nc(CNC3CCCC3)cc2C1 299801326 ZPXCRKJYYVTQNF-UHFFFAOYSA-N 298.412 0.691 0 50 CCAA Cc1nn(CC(=O)N2CCOC[C@@H]2CC2CCC2)c(=O)o1 640371252 AAKALCIGMQDAKV-LBPRGKRZSA-N 295.339 0.562 0 50 CCAA O=C(Cn1cccn1)N1CCN(CC(F)(F)F)CC1 298097753 XAXBKUASEIREKA-UHFFFAOYSA-N 276.262 0.590 0 50 CCAA Cc1nc2ccccn2c1CN(C)C(=O)[C@@H]1C[C@@H](O)CN1 299778177 FZCLLTYAWUEHQM-NEPJUHHUSA-N 288.351 0.324 0 50 CCAA CCCCS(=O)(=O)N[C@H]1CN(C)C[C@@H]1OCC 822880428 NTFYHFWBYYECPW-QWRGUYRKSA-N 264.391 0.425 0 50 CCAA CN1CCCN(CC(=O)N(C)CCCn2cccn2)CC1 584899931 QEKNHZMSLMWXGN-UHFFFAOYSA-N 293.415 0.369 0 50 CCAA C[C@H](CN1CCOCC1)C(=O)N(C)CC1(C)COC1 584890030 NEXROFVBQSVRBX-GFCCVEGCSA-N 270.373 0.450 0 50 CCAA CCCn1nccc1C(=O)NC[C@@H]1CC(=O)N(C)C1 584888239 VRFWAOFCGXLYOB-JTQLQIEISA-N 264.329 0.501 0 50 CCAA Cc1cc(N2CCN(Cc3nonc3C)CC2)nc(N)n1 670454918 NYONIGIWIUATJP-UHFFFAOYSA-N 289.343 0.381 0 50 CCAA O=C(c1nc[nH]c2nccc1-2)N1CC(n2ccnn2)C1 1335091110 CCVNLDZLTXIHSU-UHFFFAOYSA-N 269.268 0.198 0 50 CCAA CC(C)N(C)C(=O)N1CC2(CC(=O)Nc3nccn32)C1 1414372747 XHCYEMMZODUKRF-UHFFFAOYSA-N 277.328 0.696 0 50 CCAA N[C@@H]1CCNC[C@@H]1[C@H]1CC[C@H](C(F)(F)F)NC1 757213080 NTUKAYAABLRJOS-SGIHWFKDSA-N 251.296 0.854 0 50 CCAA CCc1nnc(CN2CC[C@@](O)(CC)[C@@H](O)C2)o1 1565508648 LIAXNXJNRYQWCZ-CABZTGNLSA-N 255.318 0.340 0 50 CCAA Cc1nc2ccccc2nc1CN1CC[C@H](N)[C@@H](O)C1 1565530835 ILOXEGSJORPQFZ-NHYWBVRUSA-N 272.352 0.832 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cnn(CC2CC2)c1 630357984 XQRGMAYGRZJOBL-JOYOIKCWSA-N 276.340 0.690 0 50 CCAA Cc1ccc(OCC2CN(S(C)(=O)=O)C2)nc1 635527910 MZUWGXZDUROFKV-UHFFFAOYSA-N 256.327 0.660 0 50 CCAA CC(=O)N1CC(C(=O)N2CC[C@]3(CCOC3)C2)C1 188568077 BJIZJDQHHDIHBA-ZDUSSCGKSA-N 252.314 0.104 0 50 CCAA CC[C@@H](C(=O)O)N1CCN(c2ncccc2C(N)=O)CC1 191428404 CVVHRNFIRMSDCR-NSHDSACASA-N 292.339 0.166 0 50 CCAA Cc1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)N)C2)c(C)o1 195555332 JZOXVOLPDPCBLZ-MWLCHTKSSA-N 288.369 0.633 0 50 CCAA Cc1cnc2cc(C(=O)N[C@H]3CCC(=O)NC3=O)ccn12 583573268 PERJXCYZHSVCLA-JTQLQIEISA-N 286.291 0.178 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NCCCOc1ncccn1 585130084 HBZHWOFYXOEACP-UHFFFAOYSA-N 289.339 0.944 0 50 CCAA Cc1cncc(CN2CCC[C@@](O)(c3cnn[nH]3)C2)c1 794042959 PHPFUMHCLBBZNZ-AWEZNQCLSA-N 273.340 0.992 0 50 CCAA CCn1cc(CC(=O)N[C@H]2C[C@H](N)C23CCC3)nn1 1615555234 OTYFDWFQBRVYEW-QWRGUYRKSA-N 263.345 0.227 0 50 CCAA O=S(=O)(CCn1cnnn1)N1CCc2sccc2C1 1616038214 IYRBDMSXNWZFPZ-UHFFFAOYSA-N 299.381 0.123 0 50 CCAA O=C(NCCn1cc(Br)cn1)[C@H]1C=CCN1 1857683080 BJPXPDHBXIELCL-SECBINFHSA-N 285.145 0.290 0 50 CCAA CCN(CCN1CCOCC1)C(=O)c1cn[nH]c1 1506429629 SKGUUOOCLPUPPD-UHFFFAOYSA-N 252.318 0.204 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1Nc1cc(C(N)=O)ccn1 1506410257 JTLPYXDRGHHQFX-RYUDHWBXSA-N 278.356 0.700 0 50 CCAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1nncs1 225707535 ZHVIVBKDPMXKCM-MVIOUDGNSA-N 269.282 0.355 0 50 CCAA Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)nc1=S 1715859 AVKSPBJBGGHUMW-XLPZGREQSA-N 258.299 0.267 0 50 CCAA in-vitro CCS(=O)(=O)CCN1C(=O)[C@@H]2CCCCN2C1=O 118174464 NAKPFWYOLKGZBG-VIFPVBQESA-N 274.342 0.238 0 50 CCAA Cc1nonc1OCCNC(=O)[C@H]1CC2CCN1CC2 1775978222 CYHCXHIJWWBPEC-LLVKDONJSA-N 280.328 0.357 0 50 CCAA CN(Cc1nnc2n1-c1ccccc1OC2)S(C)(=O)=O 1775982290 JEVDQTGBNRMYOF-UHFFFAOYSA-N 294.336 0.551 0 50 CCAA CN(CCCN1CCOCC1)C[C@@H]1CCC(=O)N(C)C1 1772816337 OHHHVKZDYBZSKB-AWEZNQCLSA-N 283.416 0.509 0 50 CCAA COCCCCCC(=O)N1C[C@@H]2CNC(=O)C[C@@H]2C1 1775979378 LQRSVKOVVDXGKX-NEPJUHHUSA-N 268.357 0.788 0 50 CCAA CN1CC[C@@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2C1=O 1772813323 ZVNZIPPCPNXZSG-KGLIPLIRSA-N 287.363 0.951 0 50 CCAA CN1N=C(C(=O)Nc2cccc3nn(C)nc23)CCC1=O 1875243805 YGRLENTYKDKXPO-UHFFFAOYSA-N 286.295 0.515 0 50 CCAA CCOC(=O)CC[C@H](C)N1CCO[C@@H](CC(=O)OC)C1 253415757 UYBZQJTYVRPTPZ-RYUDHWBXSA-N 287.356 0.982 0 50 CCAA COC(=O)C(Oc1ccccc1OC)C(=O)OC 22058103 SBUXKADXTZOBJV-UHFFFAOYSA-N 254.238 0.789 0 50 CCAA in-vitro O=C(Cc1cn2ccsc2n1)N[C@@H]1CCNC1 126719074 XCHAZQWTRLVUCC-MRVPVSSYSA-N 250.327 0.416 0 50 CCAA CCS(=O)(=O)NC1CCN(Cc2nonc2C)CC1 903008950 RZLIHHCLPVFBNE-UHFFFAOYSA-N 288.373 0.282 0 50 CCAA N[C@H]1CCN(c2ccnc(C(=O)N3CCCC3)c2)C1 905627156 ZTPUYQHJJRAZDR-NSHDSACASA-N 260.341 0.855 0 50 CCAA COc1cccc([C@@H]2C[C@H](O)CN2C[C@@H](O)[C@H](C)O)c1 824774956 XHVJPHFRHXLPTF-HQRZJTNHSA-N 281.352 0.545 0 50 CCAA COC1(C(=O)Nc2cnn3ccccc23)CS(=O)(=O)C1 825497993 YZXYGDYXFFMCKC-UHFFFAOYSA-N 295.320 0.086 0 50 CCAA CCn1ccc(CC(=O)N2CC[C@H](c3n[nH]cc3N)C2)n1 864383635 BGOUGMBYDRBCNA-JTQLQIEISA-N 288.355 0.767 0 50 CCAA CN(CCN(C)S(C)(=O)=O)c1nc2cnccc2n1C 1875269049 ZNWGUXSYSJONDQ-UHFFFAOYSA-N 297.384 0.296 0 50 CCAA CCOC(=O)c1cc(C(=O)NCc2cccnc2)n(C)n1 1875317968 IERCVCOMYZJORD-UHFFFAOYSA-N 288.307 0.922 0 50 CCAA CCn1cnc2c(N[C@H]3C[C@@H](O)[C@@H]3n3cccn3)ncnc21 886095138 MDOICVVIYPWSEG-HOSYDEDBSA-N 299.338 0.829 0 50 CCAA Cc1noc(C[C@@]2(O)CCCN(CCc3cn[nH]c3)C2)n1 886079372 JLGJUMQLGWWQHS-AWEZNQCLSA-N 291.355 0.713 0 50 CCAA CN1CCCC12CCN(C(=O)c1ccc(=O)n(C)n1)CC2 1776002286 XTOMEPCBSMVZMD-UHFFFAOYSA-N 290.367 0.481 0 50 CCAA CCN(CC)c1ccc(C(=O)NC[C@@H](O)[C@H](C)O)cn1 1776000589 ZDWYFEAVLNMCEH-CMPLNLGQSA-N 281.356 0.399 0 50 CCAA O=C(N[C@@H]1CCNC[C@H]1O)c1ccc(Cl)cn1 77393926 CTGUPCXQVYRXDN-PSASIEDQSA-N 255.705 0.188 0 50 CCAA Cn1cc(CC(=O)NCc2ccc(C(=O)O)o2)cn1 630141600 MWMHUHLMLKTUHT-UHFFFAOYSA-N 263.253 0.570 0 50 CCAA Nc1ncnc(N2CCN3CCOC[C@@H]3C2)c1Cl 375941680 MJGXMSNHMRHBIJ-QMMMGPOBSA-N 269.736 0.233 0 50 CCAA CC1(C)CN(CCO[C@H]2CCOC2)CCS1(=O)=O 929823792 IWTZNCHNZSSXGW-NSHDSACASA-N 277.386 0.301 0 50 CCAA O=C1[C@@H]2CCCCN2S(=O)(=O)N1Cc1cnco1 2325799165 ZAMFLLGWSSEHTI-VIFPVBQESA-N 271.298 0.116 0 50 CCAA COC1(C(=O)N2CCC(c3c[nH]nc3C)CC2)CC(N)C1 2325801665 RKJMTJZPHOMENN-UHFFFAOYSA-N 292.383 0.930 0 50 CCAA O=C(N[C@H]1CC2CC1C2)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 2332239485 IYNRCMYMOVMINO-NWKATXIPSA-N 277.320 0.622 0 50 CCAA Cc1c(C(=O)N2CCCCC2)nnn1-c1nonc1N 76604 AVDUKLGJQCTQRY-UHFFFAOYSA-N 277.288 0.167 0 50 CCAA CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N)C(=O)O 2149460 HSQIYOPBCOPMSS-SSDOTTSWSA-N 274.321 0.228 0 50 CCAA CCC1(O)CN(S(=O)(=O)c2cc(C(=O)O)oc2C)C1 227251524 HUNBIQAJPBUYHV-UHFFFAOYSA-N 289.309 0.432 0 50 CCAA CN1CCC2(CCN(C(=O)CCN3CCNCC3)CC2)C1 65498405 OSCPODZVABMFQX-UHFFFAOYSA-N 294.443 0.226 0 50 CCAA C[C@@H]1CC(=O)c2cnc(N3CCN(CCO)CC3)nc2C1 20064266 KNFPHERYNPWPRO-NSHDSACASA-N 290.367 0.356 0 50 CCAA CCc1cc(N2CCC(O)CC2)nc(N2CCOCC2)n1 65371869 KNKXZAKZGAOIJB-UHFFFAOYSA-N 292.383 0.837 0 50 CCAA CNS(=O)(=O)NCC(=O)N[C@H](C)CCc1ccccc1 252490838 LCRDBRZQLWFGKW-LLVKDONJSA-N 299.396 0.178 0 50 CCAA CO[C@@H]1CN(C(=O)Cc2ccccc2O)C[C@H]1O 331344168 ZQWXYOBYVRFATP-VXGBXAGGSA-N 251.282 0.153 0 50 CCAA Cc1cc(N2CCN(CCCO)CC2)n2nc(C)cc2n1 72434245 DWSULSTXJJMWCR-UHFFFAOYSA-N 289.383 0.851 0 50 CCAA Cn1c(=O)c(CN2CCOC[C@H]2CO)cc2ccccc21 216407500 DJTGQPULITYEOA-CQSZACIVSA-N 288.347 0.732 0 50 CCAA O=C(Cn1ncc(=O)[nH]c1=O)c1ccc(Cl)cc1 71772393 XRSNZWNJPJQYGJ-UHFFFAOYSA-N 265.656 0.468 0 50 CCAA NC1(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)CCC1 237985049 YXTSVKPCLBAHKU-GFCCVEGCSA-N 277.372 0.788 0 50 CCAA Cn1ncnc1[C@H](NC(=O)c1cc(CO)ccn1)C1CC1 219758460 YQZWMDNHFPKHLW-GFCCVEGCSA-N 287.323 0.584 0 50 CCAA CNCC(=O)N1CC[C@H](Cc2ccc(C(=O)O)cc2)C1 72480393 HPQCKIKFSFJIBU-GFCCVEGCSA-N 276.336 0.995 0 50 CCAA CCOCCC(=O)N1CCC(n2cnnc2)CC1 221162242 UCUNDJHZLLHLNT-UHFFFAOYSA-N 252.318 0.868 0 50 CCAA O=C(COCC(F)(F)C(F)F)NCc1cc[nH]n1 223896498 NNOXQTOUQNRRDL-UHFFFAOYSA-N 269.198 0.943 0 50 CCAA Cn1cnc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)c1 426500084 KYHUMCFENPYVDY-STQMWFEESA-N 278.356 0.403 0 50 CCAA Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(C)o1 223839017 IDVFSBQMBZJFER-RYUDHWBXSA-N 252.314 0.643 0 50 CCAA COc1ccnc(N2CCN(C(=O)c3cnco3)CC2)n1 221416239 HBPZCEBSXUAHIQ-UHFFFAOYSA-N 289.295 0.436 0 50 CCAA Cc1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)no1 220319336 GNEYWEXWQQSCCV-YXCITZCRSA-N 291.351 0.965 0 50 CCAA NC[C@@H]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 178553472 PCGRGDWRFIJISK-JTQLQIEISA-N 289.314 0.827 0 50 CCAA O=C(NCCN1CCCc2ccccc21)[C@@H]1COCCO1 97515184 CWOLFJAGISMUOE-HNNXBMFYSA-N 290.363 0.971 0 50 CCAA CN(C)C1CCN(c2cc([C@@H]3CCOC3)nc(N)n2)CC1 426727451 KTMPGDOVFUESEA-LLVKDONJSA-N 291.399 1.093 0 50 CCAA CN(Cc1ccco1)C(=O)NCCCc1nn[nH]n1 426726954 VPPOPZZXINCEQC-UHFFFAOYSA-N 264.289 0.567 0 50 CCAA CC[C@@H](C(=O)NCC(=O)NC(C)C)n1cccn1 91620951 UJOWXTHLTPZLMB-JTQLQIEISA-N 252.318 0.475 0 50 CCAA CN1CCC[C@]2(CCN(C(=O)N3CCOCC3)C2)C1=O 91780529 UTYIULQNGZMDFO-CQSZACIVSA-N 281.356 0.383 0 50 CCAA O=C(NCCOCCO)c1ccc([C@H]2CCCNC2)cc1 95371587 DEOZZCBNWXDFED-HNNXBMFYSA-N 292.379 0.892 0 50 CCAA Cc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1C 251993399 JWZXDMQOJGLNJM-KYLSFTOHSA-N 267.325 0.543 0 50 CCAA Cn1cc(O[C@@H]2CN(CC3CCOCC3)C[C@H]2O)cn1 625625044 MQYPLAMDFGPLMC-ZIAGYGMSSA-N 281.356 0.271 0 50 CCAA Nc1nc(CCNC(=O)C2CCNCC2)cs1 534629883 WWKFRDRFNFUUOU-UHFFFAOYSA-N 254.359 0.384 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccc(OC)nc1 534651116 JVKSYXDXMNUZRU-QWRGUYRKSA-N 266.297 0.624 0 50 CCAA CC(C)[C@@H](NC(=O)N1CC(O)C1)c1nccn1C 534593360 OMBMTXIJFCFXIX-SNVBAGLBSA-N 252.318 0.503 0 50 CCAA CN(C)S(=O)(=O)NCCCc1nc2ccccc2n1C 534656796 FJVWKKNMRCILAN-UHFFFAOYSA-N 296.396 0.902 0 50 CCAA O=C(N=c1cc[nH][nH]1)[C@@H](Cc1ccccc1)n1cnnn1 621095679 WBSHNTKRVBBYSP-LLVKDONJSA-N 283.295 0.241 0 50 CCAA COCCn1cncc1CNC(=O)c1cccnc1OC 299765556 OEQNDAHSRJYZML-UHFFFAOYSA-N 290.323 0.863 0 50 CCAA Cc1c[nH]c(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 299781624 RLCMFRMFZHIVDO-QWRGUYRKSA-N 288.311 0.296 0 50 CCAA COCCNC(=O)c1cccc(NC(=O)[C@@H](C)N)c1C 824424370 OJYAJVWYNLVLIT-SNVBAGLBSA-N 279.340 0.657 0 50 CCAA COc1cc(C(=O)N2CCN(C)[C@H](CCO)C2)ccn1 584899053 KWPFELJDZJMMGL-GFCCVEGCSA-N 279.340 0.229 0 50 CCAA COCCN1C[C@@H](CNc2ncc(F)c(OC)n2)CC1=O 670473739 HATQJOXSAHFBFQ-SECBINFHSA-N 298.318 0.531 0 50 CCAA C[C@]1(O)CCN(CCS(=O)(=O)c2ccccc2)C[C@H]1O 1565525544 UYUURZYQITUVAB-KGLIPLIRSA-N 299.392 0.278 0 50 CCAA CS(=O)(=O)Nc1ccccc1C(=O)NC1CC1 4756650 AADPMOVELIBQES-UHFFFAOYSA-N 254.311 0.950 0 50 CCAA NC(=O)[C@@]1(O)CCN(c2ncc(Cl)cc2F)C1 278808864 RYYXYMAACDZMCQ-SNVBAGLBSA-N 259.668 0.301 0 50 CCAA CCN(C)C[C@H]1CCN([C@@H](C)CC(=O)N2CCOCC2)C1 170602807 HBWHRUBUQYISHA-LSDHHAIUSA-N 297.443 0.897 0 50 CCAA CN(OCc1ccccc1)C(=O)Cn1c(O)nnc1O 1597015085 ZMPMKYIPIBRNIW-UHFFFAOYSA-N 278.268 0.280 0 50 CCAA C[C@]1(C(N)=O)CCCCN1CC(=O)NC1CCOCC1 185946757 JJSGOGDOHOXCFR-CQSZACIVSA-N 283.372 0.012 0 50 CCAA C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@@]2(CCO[C@@H]2C)O1 547748673 YPQMSXBKAUMRSM-LALPHHSUSA-N 293.367 0.758 0 50 CCAA CC[C@@H](NC(=O)c1coc(C)c1)C(=O)N1CCOCC1 188262052 RUAGPXKZRCZISJ-GFCCVEGCSA-N 280.324 0.955 0 50 CCAA Cc1ccncc1CN1CCC[C@](O)(c2cnn[nH]2)C1 794008526 FYMCZUWBTCQPDP-CQSZACIVSA-N 273.340 0.992 0 50 CCAA CN(CC(=O)Nc1cccnc1C1CC1)S(C)(=O)=O 1615618126 FWVHMUSULWDFCZ-UHFFFAOYSA-N 283.353 0.789 0 50 CCAA Cn1c(CO)nnc1[C@@H]1CCCN(c2cnccn2)C1 1506405935 XYNADBZRJKCVLI-SNVBAGLBSA-N 274.328 0.481 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3cnc[nH]3)C[C@H]2O)on1 1529189760 XPUQYZLQZXTZJI-ZWNOBZJWSA-N 262.313 0.742 0 50 CCAA CN1CC2(CCN(c3cncc(N)n3)CC2)CC1=O 1857700770 HHSPINNTWLTOOT-UHFFFAOYSA-N 261.329 0.508 0 50 CCAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1cn[nH]c1 1704349531 AMGGXHXFDTZIKD-DGCLKSJQSA-N 272.308 0.792 0 50 CCAA CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)NC1=O 229009213 VPJGBUGEPOEHFV-RKDXNWHRSA-N 252.314 0.734 0 50 CCAA COC(=O)[C@@H]1[C@H]2CN([C@H]3CCOC4(CCNCC4)C3)C[C@H]21 1857680873 XGWJNIQRIVJXBJ-IGQOVBAYSA-N 294.395 0.638 0 50 CCAA CC[C@@]12COC(=O)N1CCN(C(=O)Cc1[nH]cnc1C)C2 1857699147 PJOFJOPRXYGHHP-CQSZACIVSA-N 292.339 0.704 0 50 CCAA CO[C@@H]1CC[C@H](C(=O)NCc2cn(C)nc2C)C[C@H]1N 1857716654 CVRYOEUPIYGNMG-CYZMBNFOSA-N 280.372 0.487 0 50 CCAA Cn1nc(C(=O)N[C@@H](CCO)c2cccs2)ccc1=O 768877793 WGUVCZGMZJWFDP-VIFPVBQESA-N 293.348 0.695 0 50 CCAA CN1C(=C2C(=O)NC(=S)NC2=O)Sc2ccccc21 238327 HSUUCAGJQUTVTB-UHFFFAOYSA-N 291.357 0.971 0 50 CCAA O=C(O)[C@H]1CN(C(=O)[C@H]2CCOc3ccccc32)CCO1 111185499 MYMQWXWHMNPNKO-WCQYABFASA-N 291.303 0.865 0 50 CCAA Cn1ncc2c1C[C@@H](C(=O)N1CC(=O)N(C3CC3)C1)CC2 336120120 BJRLEIMNSBPFQT-JTQLQIEISA-N 288.351 0.316 0 50 CCAA CN(CCN(C)C1CC1)C(=O)[C@H]1CCc2cncn2C1 343072145 CTDJAQQTWNWBAP-LBPRGKRZSA-N 276.384 0.998 0 50 CCAA Cc1n[nH]cc1CNC[C@]1(N2CCOCC2)CCCOC1 362224700 YRZCMEHBLULRJX-OAHLLOKOSA-N 294.399 0.689 0 50 CCAA Cn1cc(-c2nc(-c3cnn(CCF)c3)no2)n(C)c1=O 901998344 GEJIGDDCOOXWCN-UHFFFAOYSA-N 292.274 0.607 0 50 CCAA CN(C)CCNS(=O)(=O)Cc1ccc(F)cc1 10111707 DHLBIERLBMEVBB-UHFFFAOYSA-N 260.334 0.807 0 50 CCAA O=C(O)CCNC(=O)CCCCCNC(=O)C1CC1 1875298704 KSQGPVTZMUWFRI-UHFFFAOYSA-N 270.329 0.664 0 50 CCAA COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](CCO)C(=O)O)CC2 1875312820 BQGVKXVBKNNIJA-AAEUAGOBSA-N 293.319 0.677 0 50 CCAA CN(CC(C)(C)S(C)(=O)=O)C(=O)[C@@H](N)c1ccccc1 170070758 YIAQKJVIOBLYTI-LBPRGKRZSA-N 298.408 0.968 0 50 CCAA CN(C)C1(CNC(=O)c2c[nH]c(=O)cn2)CCCC1 534581149 KLEQFHZPQIBNQG-UHFFFAOYSA-N 264.329 0.374 0 50 CCAA CCOc1ccnc(N2CCO[C@H](CCN)C2)n1 534641437 PNCPIJCMTKKNQP-SNVBAGLBSA-N 252.318 0.429 0 50 CCAA COC[C@@H]1CCCCN(S(=O)(=O)c2cnc[nH]2)C1 372093462 FHPGLTREWRFNKF-SNVBAGLBSA-N 273.358 0.847 0 50 CCAA CC1=NNS[C@@H]1NC(=O)CSc1n[nH]c(=N)s1 1857800261 FBSRGKGMSXOZBG-YFKPBYRVSA-N 290.399 0.112 0 50 CCAA CN[C@H](C)C(=O)NS(=O)(=O)c1ccc(C)cc1C 2325778035 YJOZNTWQDZNMNN-SNVBAGLBSA-N 270.354 0.716 0 50 CCAA CCN(C[C@H](O)CS(=O)(=O)O)c1cccc(OC)c1 2517177 ZLQNJZKBJSMXCJ-NSHDSACASA-N 289.353 0.770 0 50 CCAA CC1=NC(=O)C2(CCN(c3ncc4c(ncn4C)n3)CC2)N1 2356166510 AVBPQRUSLHOSNS-UHFFFAOYSA-N 299.338 0.251 0 50 CCAA O=S1(=O)C[C@@H](O)[C@H](Nc2ccc(Cl)cc2)C1 3865623 BGCCMXFVNQHEJF-NXEZZACHSA-N 261.730 0.910 0 50 CCAA CCCCN1C(=O)[C@@H]2N=C(O)N[C@@H]2N(CC)C1=O 6051049 RCDWSMRVDGNVAD-HTQZYQBOSA-N 254.290 0.283 0 50 CCAA CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1 6730267 VDAUHLZHJLIURY-QMMMGPOBSA-N 273.310 0.837 0 50 CCAA Cc1nn(C)cc1C(=O)N1CC[C@@](C)(C(=O)O)C1 224844132 FWXYFTVSFMTQDW-GFCCVEGCSA-N 251.286 0.665 0 50 CCAA CNC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 67629581 QANWQGJCYYNVSS-MRVPVSSYSA-N 274.317 0.726 0 50 CCAA COC(=O)c1ccnc(N2Cc3cnn(CCO)c3C2)c1 67907877 WGDCWDCLMSXMDZ-UHFFFAOYSA-N 288.307 0.577 0 50 CCAA CN1CCN(C(=O)c2cccc3c2OCC3)C[C@H]1C(=O)O 67855200 DRZYDVYTYSAPBX-LBPRGKRZSA-N 290.319 0.462 0 50 CCAA Cn1ccnc1SCCNC(=O)c1nccn1C 216251881 JMRFDMSADJBVLJ-UHFFFAOYSA-N 265.342 0.676 0 50 CCAA CCN1CCN(S(=O)(=O)CC)C[C@H]1c1ncc[nH]1 328623709 JIDZRQBKGQMLDK-JTQLQIEISA-N 272.374 0.438 0 50 CCAA Cn1ccnc1CN1CCC[C@@H]1c1nc(=N)n(C)[nH]1 328894803 VXCVDBXLBMSKNN-SECBINFHSA-N 261.333 0.298 0 50 CCAA NC(=O)NCCC(=O)N1CC[C@H](Nc2ccccc2)C1 363092758 LKULEFMOAKLGAT-LBPRGKRZSA-N 276.340 0.758 0 50 CCAA Cn1cc(CNCC2(N3CCCCC3)CCOCC2)nn1 329489279 SCXWPWPWJHMYGK-UHFFFAOYSA-N 293.415 0.940 0 50 CCAA COCc1nnc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)o1 71614962 YPAWJXAPHKXYRF-CQSZACIVSA-N 294.355 0.774 0 50 CCAA Cn1nncc1CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 368564598 ZVUKUJOEASULNC-SNVBAGLBSA-N 291.355 0.222 0 50 CCAA Cc1nc2ncccn2c1C(=O)N[C@@H]1C=CS(=O)(=O)C1 215474135 QZCTZCHBHVSCSO-SECBINFHSA-N 292.320 0.078 0 50 CCAA O=C(Cc1cccnc1)NC1(C(=O)O)CCOCC1 127463524 RXKRBMYXMXJPOL-UHFFFAOYSA-N 264.281 0.374 0 50 CCAA O=C(N[C@@H]1CCN(CC(F)F)C1)c1cnn2c1CCC2 333193552 STIRGOLFMXJYBN-SECBINFHSA-N 284.310 0.899 0 50 CCAA Cc1nc2c(C(=O)N3CC(n4ccnn4)C3)ccnc2[nH]1 333206883 ASYUDSUNPHKBIL-UHFFFAOYSA-N 283.295 0.555 0 50 CCAA CCc1nc(C)c(C(=O)N[C@@]2(C(=O)O)CCOC2)s1 262139760 RUNYBKAUSHUMJG-LBPRGKRZSA-N 284.337 0.987 0 50 CCAA CCc1cc(NCCN(C)S(C)(=O)=O)n2nccc2n1 72431630 OYSUCGRYNUPLDE-UHFFFAOYSA-N 297.384 0.595 0 50 CCAA CN1C(=O)CC[C@@H](N[C@@H]2CCCOC2)[C@@H]1c1ccnn1C 284862130 PEHUWUFBLJZWMG-LALPHHSUSA-N 292.383 0.851 0 50 CCAA O=c1c2cc(F)ccc2ncn1C[C@@H]1CNCCO1 42948719 HPDXRMWKVVCVDB-JTQLQIEISA-N 263.272 0.524 0 50 CCAA Cc1cc(Cl)cc2c(=O)n(CC(N)=O)cnc12 43053809 YFYSDIOIEMWAFV-UHFFFAOYSA-N 251.673 0.844 0 50 CCAA CCn1ncnc1[C@H](C)NC(=O)CCCC(=O)O 426489933 AKLIRASQFKHRAO-QMMMGPOBSA-N 254.290 0.730 0 50 CCAA O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CCCO1 329779636 MATDEURGUYTDKV-SECBINFHSA-N 273.314 0.171 0 50 CCAA Cc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)c2cnn(C)c2n1 178265827 OYXHVQHALZOYKF-SECBINFHSA-N 288.307 0.823 0 50 CCAA Cc1[nH]nc(C(=O)NC[C@H](O)CN2CCCC2)c1Cl 426423319 GPGIYVFPVIBSPE-VIFPVBQESA-N 286.763 0.558 0 50 CCAA CN(C)C[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@@H]1CO 91474199 LFIDJFBXAOUGPK-CHWSQXEVSA-N 276.384 0.960 0 50 CCAA Cc1nc(CCC(=O)N2C[C@@H](C)[C@](O)(C(C)C)C2)n[nH]1 91595504 MHYAFCNOJROBFJ-QMTHXVAHSA-N 280.372 0.911 0 50 CCAA Cc1cc(C(=O)N2CCN(c3cnccn3)CC2)cc(O)n1 179837865 CADLBTMCAITWCQ-UHFFFAOYSA-N 299.334 0.848 0 50 CCAA Cc1nncn1CCn1ncc(N2CCCC2)cc1=O 95360323 KNRXZWJMOCDGDC-UHFFFAOYSA-N 274.328 0.444 0 50 CCAA CN(Cc1ccoc1)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 91621489 LOSLGSZUGQXHPH-SNVBAGLBSA-N 279.296 0.521 0 50 CCAA O=C(N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1)C1(CO)CC1 244734675 NJRFPKKWBSVIKO-JHJVBQTASA-N 282.384 0.014 0 50 CCAA O=C([C@H]1CCCN1)N1CCC[C@@H](C2OCCO2)C1 182105215 AOCLDIVDCJJYHX-GHMZBOCLSA-N 254.330 0.350 0 50 CCAA CNC(=O)c1noc(CN2CCC(c3cc[nH]n3)CC2)n1 244652086 GZPSYBJGNOBVBO-UHFFFAOYSA-N 290.327 0.532 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)NCC(C)(C)C(=O)O 299753642 YWESXPDCROPIJT-QMMMGPOBSA-N 274.342 0.135 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)NC(C)(C)C(=O)O 299746905 BPCOBLFHFUJPEO-DTWKUNHWSA-N 259.302 0.550 0 50 CCAA O=C(O)CCC(=O)NC[C@@H](CO)Cc1ccsc1 534586257 DQVYZVGKNNCJNT-JTQLQIEISA-N 271.338 0.880 0 50 CCAA CN1CCO[C@H](CNC(=O)c2cccc3c2CCC3=O)C1 534668897 LFSYFAOIHJGLIS-LLVKDONJSA-N 288.347 0.876 0 50 CCAA CN(CC(=O)N1CCC[C@@H](CCCO)C1)C1CCNCC1 534577783 XLCSAWQAQGTTEQ-AWEZNQCLSA-N 297.443 0.681 0 50 CCAA CCc1noc([C@@H](C)NC(=O)CSc2nc(N)n[nH]2)n1 823569513 UZUODCDCBAMDGH-RXMQYKEDSA-N 297.344 0.302 0 50 CCAA CN(CCO)CCNC(=O)N1CC(c2ccccn2)C1 828760159 STNKLCPCMWEZNI-UHFFFAOYSA-N 278.356 0.115 0 50 CCAA Cc1c[nH]c(C(=O)NCCc2nncn2C(C)C)n1 584895741 OBVCFQUDQDNNIB-UHFFFAOYSA-N 262.317 0.863 0 50 CCAA Cc1nc[nH]c1C(=O)N1CCC[C@H](c2nc[nH]n2)C1 670442511 DUKOIJLTKDQVRC-VIFPVBQESA-N 260.301 0.856 0 50 CCAA CC(C)(C)OC(=O)N1CCO[C@@H](C2=NCCN2)C1 1535543613 HBUZXPIAWDNCOM-SECBINFHSA-N 255.318 0.624 0 50 CCAA C[C@@H]1[C@H](N(C)C)CCN1C(=O)[C@@H]1CCCCC(=O)N1 408522833 MJYGNNWAHJWHTM-GRYCIOLGSA-N 267.373 0.596 0 50 CCAA O=C(c1c[nH]c2ncccc12)N1CC[C@@H](CO)[C@@H](O)C1 546696879 ZJQNPMUGSKMEKJ-CABZTGNLSA-N 275.308 0.378 0 50 CCAA CC1(C)COCCN1CCNC(=O)c1cncnc1 273594044 DEGIQVICLOJEEM-UHFFFAOYSA-N 264.329 0.317 0 50 CCAA C[C@@H]1C[C@H](O)CCN1S(=O)(=O)N1CCCCC1 170091083 PJFILYWDTOQBOG-GHMZBOCLSA-N 262.375 0.562 0 50 CCAA C[C@@H]1CC(=O)N[C@H](C(=O)N2CCNC(C)(C)C2)C1 551700619 KLYHISNGFXEMQB-UWVGGRQHSA-N 253.346 0.112 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cnn(C)c1C 643765698 YXDJWMIBMWBSFR-AWEZNQCLSA-N 280.372 0.456 0 50 CCAA Cc1cnc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)nc1 643718853 JSJALWUZNGSJHA-CQSZACIVSA-N 278.356 0.595 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1nc(C(C)C)n[nH]1 643823090 JOBRGGWJFZCINV-ZDUSSCGKSA-N 281.360 0.394 0 50 CCAA O=C1C[C@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CO1 585087041 DAKIGKBSPHDZPR-NEPJUHHUSA-N 294.351 0.314 0 50 CCAA COc1ccc(C)cc1CCNC(=O)[C@@H]1CNC(=O)O1 1615556203 BRUFPNXTHNQZBP-LBPRGKRZSA-N 278.308 0.771 0 50 CCAA Cc1nn(C)c(C)c1[C@H](O)CNC(=O)N[C@@H]1CCCOC1 1615614000 CWUYBROHJQMQQN-VXGBXAGGSA-N 296.371 0.549 0 50 CCAA COC(=O)c1cc(F)cc(C(=O)N[C@@H](C)C(=O)O)c1 1616034766 TXCSGCBEIFKJBX-LURJTMIESA-N 269.228 0.815 0 50 CCAA Cc1cccnc1CN(C)C(=O)c1cc(O)nc(O)n1 1506426216 FAKZRFLNMGANHQ-UHFFFAOYSA-N 274.280 0.863 0 50 CCAA O=C1C[C@H](C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CN1 110360725 ZUQMCGPGSLXNGS-GXSJLCMTSA-N 278.312 0.137 0 50 CCAA CC(C)(C)[C@H](N)C(=O)N1CCC[C@H](Cn2cncn2)C1 236679774 MCDRLCPGWSRBIW-NWDGAFQWSA-N 279.388 0.890 0 50 CCAA O=C(O)Cn1cc(CN2CCc3ccccc32)nn1 568060213 WDRFCOWLZWOCBL-UHFFFAOYSA-N 258.281 0.925 0 50 CCAA CC(C)[C@@H](C(=O)N(C)CC(=O)O)N1C[C@@H](C)O[C@H](C)C1 153104417 NYPVAYQNIAIVCU-WZRBSPASSA-N 286.372 0.663 0 50 CCAA COc1nccnc1N1CCC[C@](CO)(CN(C)C)C1 1772712941 WEBAMTPLLUUOKE-AWEZNQCLSA-N 280.372 0.626 0 50 CCAA OC[C@]12CNC[C@H]1CN(c1ncc(Cl)cn1)C2 1772707189 TXDLPHVATQSELF-GZMMTYOYSA-N 254.721 0.148 0 50 CCAA COc1cc(C(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)ccn1 1772813240 YKVZCLXKUDVLKW-NEPJUHHUSA-N 289.335 0.641 0 50 CCAA Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCNC2)C1 1857685860 XVNKGMOBQUMERC-MRXNPFEDSA-N 290.363 0.965 0 50 CCAA O=C(NC[C@H]1CCCCO1)c1cn2c(n1)CCNCC2 1875244984 FFEWBLHTMIJZTF-LLVKDONJSA-N 278.356 0.328 0 50 CCAA COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1ncc(C)o1 225454963 XTUSQCARZZWZPB-ONGXEEELSA-N 254.286 0.481 0 50 CCAA COC(=O)c1cc(CN2CCC[C@H]2C(N)=O)cn1C 225637879 DTOFLGLZHMHRGP-JTQLQIEISA-N 265.313 0.261 0 50 CCAA C[C@H]1CCc2c(sc3ncn(C[C@H](O)CO)c(=O)c23)C1 2889567 IQZZQILIOMSESF-IUCAKERBSA-N 294.376 0.936 0 50 CCAA C[C@H]1CN(C(=O)NCc2nc(N(C)C)n[nH]2)CCCO1 637784597 FKSHTMMPLOYYMI-VIFPVBQESA-N 282.348 0.191 0 50 CCAA CCn1nncc1CN1CCC[C@@]1(COC)C(=O)NC 643765932 RWYKFNGIEQHCCJ-CYBMUJFWSA-N 281.360 0.025 0 50 CCAA CO[C@H](C(=O)N1CCN(c2nccnc2C)CC1)C1CC1 373002099 JSWLBBDAMKDXNK-ZDUSSCGKSA-N 290.367 0.859 0 50 CCAA CN[C@@H]1CCN(C(=O)Cc2ccn(CC(F)(F)F)n2)C1 911656393 MONJISUZKHAFDC-SNVBAGLBSA-N 290.289 0.808 0 50 CCAA Cc1ccc([C@@H](O)CN2CC(S(N)(=O)=O)C2)cc1 930728453 CSMSIUOULXFMFU-LBPRGKRZSA-N 270.354 0.001 0 50 CCAA O=C(N[C@@H](CO)c1ccccc1)[C@@H]1CCn2ncnc2C1 1875283493 UOTQGBGHUVXQJD-OLZOCXBDSA-N 286.335 0.690 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CCOC[C@H]1CC(F)F 1875291767 LBARLSQPBIDJDK-BWZBUEFSSA-N 263.240 0.590 0 50 CCAA C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)CO1 1875311295 SVXXCJCNJKMJSC-QUIJIENNSA-N 253.298 0.637 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N2CCOCC23CC3)C1=O 886078215 PUSSXAJHJYGQFP-GFCCVEGCSA-N 296.367 0.405 0 50 CCAA O=C(O)[C@H]1[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CC[C@H]21 1773291452 DLQNHQADMVBMMX-ASHHDVGLSA-N 295.335 0.217 0 50 CCAA c1cn([C@@H]2CCCN(c3nccn4nnnc34)CC2)nn1 895103833 CDVBCCJGNVXURY-SNVBAGLBSA-N 285.315 0.342 0 50 CCAA C[C@H](Oc1ccccc1)C(=O)N1CCN(CCO)CC1 20406517 YYMTZPPIAKLSFL-ZDUSSCGKSA-N 278.352 0.590 0 50 CCAA COC(=O)c1cc(N)c([N+](=O)[O-])cc1C(=O)OC 147369813 DGTIIGHLJPVRGF-UHFFFAOYSA-N 254.198 0.750 0 50 CCAA COc1cc(C)ccc1OCC(=O)N1CC[C@H](N)C1 152229693 LCTNJCBIMLGJES-NSHDSACASA-N 264.325 0.942 0 50 CCAA CC(C)CN1C[C@@H](C(=O)NCCc2c[nH]cn2)CC1=O 65405562 DXDISLDESDLOON-NSHDSACASA-N 278.356 0.573 0 50 CCAA CO[C@@H](C)C(=O)NCc1ccc(CC(=O)O)cc1 630233157 QTIPTSFFPOJCRV-VIFPVBQESA-N 251.282 0.965 0 50 CCAA CC1CCN(S(=O)(=O)NCc2csc(N)n2)CC1 822425724 QMSKOCRWQGMCHB-UHFFFAOYSA-N 290.414 0.792 0 50 CCAA Cn1c(=O)c2c(ncn2Cc2ccc(F)cc2)n(C)c1=O 2970599 JFTHHWHLMDWVQC-UHFFFAOYSA-N 288.282 0.621 0 50 CCAA biogenic N=c1nc(CCNC(=O)CC2(CC(=O)O)CCCC2)o[nH]1 2325829653 OVKUZZYPUVTIPV-UHFFFAOYSA-N 296.327 0.566 0 50 CCAA C=CC(=O)N1CCC(n2ncnc2C(=O)OC)CC1 2325898643 PHXWKAHJUOQAHH-UHFFFAOYSA-N 264.285 0.414 0 50 CCAA CN1C(=O)CC[C@@H](N2Cc3cc(N)ccc3C2=O)C1=O 2325904013 CMHQPTBPDFUNKW-LLVKDONJSA-N 273.292 0.372 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)NCc1cccnc1 6714965 ISFNDJSEBBCRFD-UHFFFAOYSA-N 266.326 0.602 0 50 CCAA COCCN1CCC[C@](O)(CNCc2cccs2)C1=O 67803075 AORIPGLJFRODRK-AWEZNQCLSA-N 298.408 0.838 0 50 CCAA CNS(=O)(=O)NCC(=O)N[C@@H](C)CCc1ccccc1 252490839 LCRDBRZQLWFGKW-NSHDSACASA-N 299.396 0.178 0 50 CCAA CN1CCN(C(=O)[C@H]2CCCCO2)C[C@@H]1c1ncc[nH]1 328629739 PCQFPPIPIRRCTO-VXGBXAGGSA-N 278.356 0.794 0 50 CCAA CC(C)CN1CCN(C(=O)c2ccc[nH]c2=O)[C@@H](C)C1=O 77458818 QKHVEHKLQMRJFS-NSHDSACASA-N 291.351 0.704 0 50 CCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ncccc1O)C2 72129239 JDAXFSDEPMXDFO-UHFFFAOYSA-N 286.291 0.377 0 50 CCAA CC[C@@H](Nc1nc(C)nc2c1cnn2C)C(=O)NC 72152803 SBGMQCYLZOTTSR-SECBINFHSA-N 262.317 0.608 0 50 CCAA CCOC(=O)c1n[nH]cc1CN1CCn2cncc2C1 72170334 VSHAKWWGHAGISB-UHFFFAOYSA-N 275.312 0.799 0 50 CCAA C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 333466376 MWCJUKHBQHSCSQ-KDQWQRHNSA-N 266.341 0.177 0 50 CCAA C[C@@H]1CN(C(=O)C2C[C@@H]3CCC[C@H](C2)C3N)C[C@@H]1N 333500642 DHVZFINQINOGFZ-JBKQMZKYSA-N 265.401 0.946 0 50 CCAA C[C@H](NC(=O)c1ncncc1Cl)c1nnnn1C1CC1 239672778 BVFDUUAWRJIOEW-LURJTMIESA-N 293.718 0.942 0 50 CCAA CNC(=O)C1(C(=O)N2CC[C@@H](C3CCOCC3)C2)CC1 334421952 BLELHLPSYJCPFQ-GFCCVEGCSA-N 280.368 0.788 0 50 CCAA CC(C)Cn1ncnc1CN1C[C@H](F)C[C@H]1C(N)=O 284608439 AIMPMXKWFXEZAO-ZJUUUORDSA-N 269.324 0.332 0 50 CCAA O=C1CCCC[C@H](C(=O)N2CCn3cncc3C2)N1 290925522 LJIRMHOOBGLCTJ-LLVKDONJSA-N 262.313 0.284 0 50 CCAA COCC[C@H]1COCCN1C(=O)[C@@H]1CCCc2nn[nH]c21 615113500 SMNBHKSZDOJUIJ-WDEREUQCSA-N 294.355 0.489 0 50 CCAA Cc1nnc(NC(=O)NC[C@H]2CCCS2(=O)=O)s1 178582300 YUKDNJICWHDJJA-SSDOTTSWSA-N 290.370 0.545 0 50 CCAA CCn1nc(C)c([C@@H](C)NC(=O)Cc2nc(O)n[nH]2)c1C 426697636 ZQLQJQVZNDEEDD-SSDOTTSWSA-N 292.343 0.763 0 50 CCAA COc1ccc(CNC(=O)N2CCNC(=O)C2)cc1F 80013056 CMHCXKMJEKUHHJ-UHFFFAOYSA-N 281.287 0.476 0 50 CCAA CSCC[C@@H](NC(=O)Cn1nc(C)cc1N)C(=O)O 426624736 GOHYPSSEEWPIOK-MRVPVSSYSA-N 286.357 0.096 0 50 CCAA CNC(=O)c1ccc(CSc2nnc(CN)n2C)o1 426674314 QKZHTYOPXPNLHY-UHFFFAOYSA-N 281.341 0.519 0 50 CCAA CCc1ncc(S(=O)(=O)N2CC[C@@H](OC)C2)[nH]1 234190830 MQJDWBDISSKTLM-MRVPVSSYSA-N 259.331 0.382 0 50 CCAA COc1cc2c(cc1C(=O)N1CCNC[C@H](O)C1)CCC2 97632036 KXUXQHKGCCPYHD-ZDUSSCGKSA-N 290.363 0.590 0 50 CCAA CC(=O)N1CCN(c2ncnc3ccsc23)C[C@@H](O)C1 91626036 ACRJQQXAFFUDCQ-JTQLQIEISA-N 292.364 0.721 0 50 CCAA CSCc1noc(CNC(=O)Cn2ccc(=O)cc2)n1 244787545 PZDYACNGNPNWFS-UHFFFAOYSA-N 294.336 0.411 0 50 CCAA O=C(NCCc1ccc2c(c1)OCO2)[C@H]1C[C@H]1C(=O)O 299753313 XTNGUVGYAIOOHC-VHSXEESVSA-N 277.276 0.795 0 50 CCAA CCc1noc(CN(CC)Cc2noc(C(N)=O)n2)n1 244899943 ZTIZFVZHNQQMMC-UHFFFAOYSA-N 280.288 0.136 0 50 CCAA Cc1cc(=O)n(CCN2CCOC3(CCCC3)C2)c(O)n1 253537336 OHYUJPUMCJPBOH-UHFFFAOYSA-N 293.367 0.902 0 50 CCAA O=C(COC[C@H]1CCCCO1)NCCCn1ccnc1 252482244 DBKYKCKBHGAKSF-CYBMUJFWSA-N 281.356 0.975 0 50 CCAA COC(=O)c1cn([C@H]2CSC[C@@H]2O)cc2c(=O)[nH]nc1-2 263587295 FHIFLDWWXFNPEP-IUCAKERBSA-N 295.320 0.112 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCOCC1)C1CC=CC1 534673826 GVSWJERDAVYRTC-STQMWFEESA-N 266.341 0.168 0 50 CCAA O=C(NC[C@]1(O)CCNC1)Nc1cc(F)c(F)cc1F 299776615 AOOIWHFFZIMFLW-LBPRGKRZSA-N 289.257 0.950 0 50 CCAA CN(C)C(=O)CN1CCN(c2ccncc2F)CC1 641264049 RCHABFPTWKNARZ-UHFFFAOYSA-N 266.320 0.431 0 50 CCAA CCc1ocnc1C(=O)N1CCc2c(O)nc(N)nc2C1 299781139 KNQZQCNROBBFGS-UHFFFAOYSA-N 289.295 0.513 0 50 CCAA CCn1nc(C)c([C@@H](C)NC(=O)Cn2cnnn2)c1C 584898902 MEGCYWHVPHXXGT-MRVPVSSYSA-N 277.332 0.384 0 50 CCAA CN(C)CCN1CCN(C(=O)C[C@@H]2CCOC2)CCC1=O 584887049 VUEZATUUBOIGGH-ZDUSSCGKSA-N 297.399 0.036 0 50 CCAA CC(C)c1noc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)n1 670462528 XRRAVLGZVRTJSJ-RYUDHWBXSA-N 296.371 0.070 0 50 CCAA CN1CCN(S(=O)(=O)c2ccccc2)C[C@H]1CCO 670463008 XJVUYIUQDGZAJS-GFCCVEGCSA-N 284.381 0.374 0 50 CCAA O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cc(Cl)c[nH]1 685942231 OOFJNWOHMSOBIV-WDEREUQCSA-N 296.714 0.967 0 50 CCAA CN(C)c1ncc(CNCCN2CCC[C@@H](CO)C2)cn1 952973295 YFLKZOGNAKGNQA-CYBMUJFWSA-N 293.415 0.337 0 50 CCAA O=C(C1CCOCC1)N1CCCN([C@H]2CCOC2)CC1 1565521916 HDIZGBHPGHBVAN-AWEZNQCLSA-N 282.384 0.736 0 50 CCAA COC(=O)[C@@H](NCc1ccc2cn[nH]c2c1)[C@H](C)O 170608740 RYCGYSSWUQTJCG-UFBFGSQYSA-N 263.297 0.575 0 50 CCAA C[C@H](N)[C@@H]1CN(C(=O)c2ncc3n2CCCC3)CCO1 634288470 NOBDABMVRWYYHB-JQWIXIFHSA-N 278.356 0.408 0 50 CCAA O[C@]1(C(F)(F)F)CCN(C[C@@H]2CCc3ncnn32)C1 639512223 AUYMHJQFJODERY-WCBMZHEXSA-N 276.262 0.765 0 50 CCAA Cc1noc2ncnc(N3CCO[C@]4(CCOC4)C3)c12 192534044 ZSZTZGFDJDQGEQ-CYBMUJFWSA-N 276.296 0.922 0 50 CCAA Cc1nnnn1C[C@H](O)COc1ccc(F)cc1 193414603 PGXIURFLNQRCLC-JTQLQIEISA-N 252.249 0.561 0 50 CCAA Cc1nc(C(=O)NCc2nc3cccnc3[nH]2)no1 194610922 GXZYPHQOTBKEDY-UHFFFAOYSA-N 258.241 0.579 0 50 CCAA CCS(=O)(=O)NCCNC(=O)[C@@]1(C)C[C@@]1(F)Cl 585088737 OVRDXZDEQUKAMR-BDAKNGLRSA-N 286.756 0.357 0 50 CCAA CC(=O)NC1CCN(CC[C@@H]2COCCO2)CC1 1775976972 DOLOYPSQUXXESA-CYBMUJFWSA-N 256.346 0.392 0 50 CCAA COc1ccc(CN2CCO[C@H](CCN)C2)cc1O 215296830 VIUXJIGZOXPWSV-GFCCVEGCSA-N 266.341 0.950 0 50 CCAA O=C(O)c1cnc(NCCCN2CCC[C@H](CO)C2)cn1 1506419917 ZRWRKZQWDHEFPO-NSHDSACASA-N 294.355 0.681 0 50 CCAA CSc1cncc(NC[C@](C)(O)CN(C)C)n1 132877313 OICNMGXTQGUAQA-NSHDSACASA-N 256.375 0.923 0 50 CCAA CCn1cnnc1CN1C[C@H](O)[C@H](Cc2ccncc2)C1 1704340062 FLDIYKVPTNYEJN-KGLIPLIRSA-N 287.367 0.728 0 50 CCAA CNC(=O)CN(C)c1cc(C(=O)N2CCCCC2)ccn1 1704314360 PJISWVKMZONUOJ-UHFFFAOYSA-N 290.367 0.890 0 50 CCAA COCCN1CCC(CN(C)c2cncc(N)n2)CC1 1857675982 AFWYWTGVOJUMRD-UHFFFAOYSA-N 279.388 0.853 0 50 CCAA CN1C[C@@]2(CCCN(c3n[nH]c(=N)s3)CC2)OC1=O 1857677278 URFRXTQXTCRNIA-NSHDSACASA-N 283.357 0.762 0 50 CCAA CN1CCO[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 1857682536 MVZQFPCUXNLRDY-CQSZACIVSA-N 250.342 0.886 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)NCc1nncn1C(C)C 264716120 BBCXEDZLRSFGRX-NXEZZACHSA-N 252.318 0.900 0 50 CCAA NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1 13111193 ARLRETKXELSOBP-UHFFFAOYSA-N 277.305 0.516 0 50 CCAA COCCN1CC[C@@H](Cn2cnc3cc[nH]c3c2=O)C1 1857725566 CSEDXDWEFSGDGO-LLVKDONJSA-N 276.340 0.693 0 50 CCAA CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2 225426026 SYBGGFGFUACNPP-SRVKXCTJSA-N 288.413 0.820 0 50 CCAA Cc1nnc2n1CCN(C(=O)c1cccc(C(=O)O)c1)C2 647142940 VSYQTSHZDXTUJU-UHFFFAOYSA-N 286.291 0.941 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc2c(cn1)OCCO2 566969974 UZYPTWBIDDQUEW-DTWKUNHWSA-N 291.307 0.250 0 50 CCAA O=C(O)[C@H](CNC(=O)[C@@H]1COCCO1)Cc1ccccc1 262536713 QLEZHKKAALPOSH-STQMWFEESA-N 293.319 0.462 0 50 CCAA CC[C@@H]1C(=O)NCCCN1CC[C@H]1CCCNC1 903883826 ZTZPYXICAJGLJL-CHWSQXEVSA-N 253.390 0.977 0 50 CCAA C[C@@H](O)c1cn(CCS(=O)(=O)Nc2ccccc2)nn1 1875282686 OPMCWGRYTCNTTM-SNVBAGLBSA-N 296.352 0.773 0 50 CCAA C[C@@H]1CO[C@H](CN(C)C(=O)[C@H](O)Cc2cn(C)cn2)C1 1875323719 QCRMCDWTRQWUTI-WCFLWFBJSA-N 281.356 0.207 0 50 CCAA O=C(NCc1cnco1)c1cc(O)nc(C2CC2)n1 1875332692 FJWQIJPLHOWZSV-UHFFFAOYSA-N 260.253 0.978 0 50 CCAA COC(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 12296640 KSNGNHHCBHTIQT-GFCCVEGCSA-N 288.303 0.811 0 50 CCAA biogenic O=C(O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1875310832 DOJFGLRGDWVERF-DOUOGLJNSA-N 265.309 0.876 0 50 CCAA N[C@@H]1CN(C(=O)C[C@@H]2CNC[C@H]2O)CCc2ccccc21 2325788121 NIMUQGXNOFQVGQ-BPLDGKMQSA-N 289.379 0.042 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC(OCC(F)F)C1 859832481 GMADPELZCDQWOG-UHFFFAOYSA-N 262.256 0.123 0 50 CCAA CS(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1 219432 XWNXZHPXYWTKIW-SNVBAGLBSA-N 274.386 0.717 0 50 CCAA O=CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 468336 YNTKSTNDULJBSL-UHFFFAOYSA-N 262.265 0.330 0 50 CCAA COc1cccc(CNC(=O)C(=O)NC[C@H]2CCCO2)c1 2855953 XQNCNOXGIYLKCT-CYBMUJFWSA-N 292.335 0.607 0 50 CCAA Cc1csc([C@H](C)NS(=O)(=O)N2CCOCC2)n1 67951038 BSWJUFNYXAWULC-VIFPVBQESA-N 291.398 0.679 0 50 CCAA COC(=O)c1cc(CN2CCn3ncnc3C2)c[nH]1 351914853 FZRZTLLAMSICGY-UHFFFAOYSA-N 261.285 0.409 0 50 CCAA O=C1NC(=O)[C@H](CCc2nc(CCc3ccccc3)n[nH]2)N1 65507764 NUPPWFDMFDFYAN-NSHDSACASA-N 299.334 0.731 0 50 CCAA Cc1cnn([C@H](C)[C@H](C)NCC(=O)N2CCO[C@@H](C)C2)c1 229570492 SJFMNERLDTXCBT-MELADBBJSA-N 294.399 0.978 0 50 CCAA CCc1nc(C)sc1CNC(=O)CN1CC(=O)NC1=O 67955320 KSAVYVCCQVCIFP-UHFFFAOYSA-N 296.352 0.182 0 50 CCAA C[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@@H]1N(C)C 229827422 DJMFIKGMBSDJGG-UPJWGTAASA-N 270.373 0.591 0 50 CCAA CC(CO)(CO)NC(=O)c1cc(C(C)(C)C)on1 120653611 KRFGODYVBULPGB-UHFFFAOYSA-N 256.302 0.445 0 50 CCAA CCn1ccnc(N2CCC(c3nc(=O)[nH][nH]3)CC2)c1=O 280966178 LPDNWFQIKVTXJD-UHFFFAOYSA-N 290.327 0.059 0 50 CCAA CSc1nc(C(=O)N[C@H](C)c2nc(=O)[nH][nH]2)cs1 215209226 IEKDNNXGQYLPLO-SCSAIBSYSA-N 285.354 0.767 0 50 CCAA COCCN1CN(C(=O)c2ccoc2Cl)CC1=O 282359189 DEANPNGPXIARSX-UHFFFAOYSA-N 272.688 0.821 0 50 CCAA O=C(NC[C@]1(O)CCNC1)c1ncoc1-c1ccccc1 72172997 HUBHESWKEQLTNQ-HNNXBMFYSA-N 287.319 0.796 0 50 CCAA O=C1N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC[C@@H]12 211865663 QEUBZZYHXSGWAV-NEPJUHHUSA-N 262.284 0.858 0 50 CCAA C[C@H]1COC(C)(C)CN1C(=O)C1(S(C)(=O)=O)CCC1 331954973 IUICRZYAVWKVHU-JTQLQIEISA-N 289.397 0.980 0 50 CCAA C[C@@H]1COCCN1CCNC(=O)c1cn2ccccc2n1 331994786 VKGFKMRCBHWAAW-GFCCVEGCSA-N 288.351 0.785 0 50 CCAA CC(C)OCC(=O)N1CCC[C@H](c2nnc(O)o2)C1 330601875 VYFGPOQFIRFNIK-VIFPVBQESA-N 269.301 0.906 0 50 CCAA CCS(=O)(=O)Cc1noc(-c2cc(C)[nH]n2)n1 332407615 YOBCQTLMFKIWSH-UHFFFAOYSA-N 256.287 0.703 0 50 CCAA C[C@H](NC(=O)c1cc[nH]c(=O)c1)C(=O)NCc1ccccc1 153221855 PAOXJLSSQHYWFJ-NSHDSACASA-N 299.330 0.810 0 50 CCAA CN1CC2(CCN(c3nccnc3N(C)C)CC2)CC1=O 77284978 NARWVIKVDSILMH-UHFFFAOYSA-N 289.383 0.991 0 50 CCAA C[C@@H](NC(=O)C[C@@H](O)Cc1ccccc1)c1nncn1C 362522817 XZYZJXHEIWNZHC-YPMHNXCESA-N 288.351 0.986 0 50 CCAA NC(=O)COc1ccccc1C(=O)N1CCC[C@H](N)C1 158531419 QKMSBCKNDCYENQ-JTQLQIEISA-N 277.324 0.114 0 50 CCAA CC(C)NC(=O)c1ccnc(N2CCN[C@@H](C(=O)O)C2)c1 71749321 FEWYXBGUPHIHHG-LLVKDONJSA-N 292.339 0.083 0 50 CCAA COc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)c(C)n1 377058557 XDWRPUUWDDFUED-CMPLNLGQSA-N 293.323 0.319 0 50 CCAA O[C@@]1(CNCCc2nc3c(s2)CCCC3)CCNC1 77355575 XHWMPUSPXUMWEJ-CQSZACIVSA-N 281.425 0.878 0 50 CCAA CC(C)(C)OCC(=O)N1CCOC[C@H]1CC(=O)O 158049954 YOKKAOPOFLZDFG-SECBINFHSA-N 259.302 0.504 0 50 CCAA CN1C[C@@H](NC(=O)Cc2cccs2)C[C@H]1C(=O)O 223327954 GHJYLJYSGCKZAK-WPRPVWTQSA-N 268.338 0.564 0 50 CCAA CCN1CCC[C@H](NS(=O)(=O)c2cn[nH]c2)C1 40503726 GHSNZLJLFGOQPL-VIFPVBQESA-N 258.347 0.172 0 50 CCAA CC1(C)CN(C(=O)CSc2n[nH]c(=O)[nH]2)[C@H]1C1CC1 291151968 PZOOQCGNDGPZOU-VIFPVBQESA-N 282.369 0.837 0 50 CCAA O=C(NCc1cnn2cccnc12)[C@H]1CC(=O)N(C2CC2)C1 91676890 GHOVTZUBMLCFHW-JTQLQIEISA-N 299.334 0.356 0 50 CCAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)CO)C1 95515277 XCZMLKGOZLIIRP-CYBMUJFWSA-N 294.399 0.533 0 50 CCAA OC[C@@H]1CCCN(CCCNc2ccncn2)C1 91434781 NDDXGLQEJBVTJL-GFCCVEGCSA-N 250.346 0.983 0 50 CCAA CC(C)(C)OC(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 96379141 JBLDCOQATXUSRZ-UHFFFAOYSA-N 267.285 0.356 0 50 CCAA CN(C)[C@@H](C(=O)NCCCO)c1ccccc1F 95373133 AOAGJNXZQBSRRP-GFCCVEGCSA-N 254.305 0.927 0 50 CCAA CNC(=O)c1ccc(C)c(S(=O)(=O)NCCN(C)C)c1 96027829 COWJXBGPKGYIOX-UHFFFAOYSA-N 299.396 0.195 0 50 CCAA O[C@H]1C[C@H]2[C@@H]3[C@H](O)C[C@@H]4[C@@H]5C[C@H](O)[C@@H]6[C@@H]5[C@@H]([C@@H]2[C@H]16)[C@H]34 248070096 XQXSPPJNMCEGCY-RBGOVXENSA-N 262.349 0.483 0 50 CCAA CCC(=O)NCC(=O)N[C@H](CC)c1nc(C)no1 244787862 QFAJDDNNDCEHBK-MRVPVSSYSA-N 254.290 0.472 0 50 CCAA CC1CCN([C@@H]2CCCN(CC(=O)O)C2=O)CC1 252494415 NUSORDGUAMTZKR-LLVKDONJSA-N 254.330 0.794 0 50 CCAA O=C(O)[C@@H]1CN(c2ncccn2)CCN1Cc1cccnc1 257372008 QYLQZSQOSZQLEU-ZDUSSCGKSA-N 299.334 0.647 0 50 CCAA O=C(CCc1cn[nH]c1)N[C@H]1COC[C@@H]1N1CCCCC1 534584994 DDGPPCGQNCHDEP-KBPBESRZSA-N 292.383 0.712 0 50 CCAA COc1coc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)cc1=O 824842930 YWRKWLJPWZBQGF-MPZDIEGVSA-N 276.336 0.831 0 50 CCAA C[C@H](CNC(=O)C1(C(=O)O)CCCCC1)C(=O)O 585135147 ZVHNHNHKKBASLW-MRVPVSSYSA-N 257.286 0.858 0 50 CCAA Nc1nc(CCCNS(=O)(=O)N2CCCC2)cs1 670448694 LNFBSEQXWYQLFK-UHFFFAOYSA-N 290.414 0.588 0 50 CCAA N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1cccc(-n2cccn2)c1 1565510722 SFKHHDCTZRCRRX-XGUBFFRZSA-N 298.346 0.717 0 50 CCAA N=c1nc(O)cc([C@H]2CCN(C(=O)CC(F)(F)F)C2)[nH]1 630721717 IWRCQEJVGAFUNH-LURJTMIESA-N 290.245 0.863 0 50 CCAA CCCNC(=O)C1CCN(C(=O)[C@@H]2CCOC2)CC1 194403430 JWSUJVFBUSFQJI-GFCCVEGCSA-N 268.357 0.788 0 50 CCAA O=C(c1ccc2c(c1)COB2O)N1CCCC(F)(F)C1 585003352 PGHGZHUJZCXIJL-UHFFFAOYSA-N 281.067 0.776 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@]12CCCO2 922301709 GOULSZKZNNIFEV-RISCZKNCSA-N 266.341 0.849 0 50 CCAA CC[C@@H]1CN(C(=O)NCC(=O)O)CCN1C(C)C 1506419729 JCNQRZMPCQKEAO-SNVBAGLBSA-N 257.334 0.585 0 50 CCAA NC(=O)[C@H]1CCCN(CCCN=c2cc[nH]cc2F)C1 1506408488 SRCNMAPXPKLKTO-NSHDSACASA-N 280.347 0.642 0 50 CCAA O=C(c1cccc(=O)[nH]1)N1CC(N2CCCCC2)C1 222781245 RWJRAECIOJTGHX-UHFFFAOYSA-N 261.325 0.685 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N1CCC(C2(O)CC2)CC1 1800414817 WHPUMUMTDLUMEC-UHFFFAOYSA-N 279.340 0.730 0 50 CCAA COc1nccnc1N1CCN(C)C2(CCOCC2)C1 1800410850 CBYRHKWWQPOQQB-UHFFFAOYSA-N 278.356 0.786 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1ccc(CNC(N)=O)cc1 124818257 RPYXVMIKPGYHLR-SNVBAGLBSA-N 276.340 0.289 0 50 CCAA CN1C(=O)C[C@@H](NCc2ccc3c(c2)OCO3)C1=O 18122963 JXTAMOLJHDFRAZ-SECBINFHSA-N 262.265 0.262 0 50 CCAA CC[C@@H](C(=O)N1CC2(CNC(=O)N2C)C1)n1cccn1 1857677545 HLEHGMFRQDXOID-JTQLQIEISA-N 277.328 0.070 0 50 CCAA CC(C)n1ccnc1CN1CC[C@@](O)(Cn2ccnn2)C1 671552232 FWRSYOMYAKKRHR-AWEZNQCLSA-N 290.371 0.693 0 50 CCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H]1CC(C)(C)OC1(C)C 365486508 QBRNDJIFCVNWKR-TUAOUCFPSA-N 298.383 0.430 0 50 CCAA Cc1ncc(C(=O)N2CCO[C@H](C(=O)O)C2)c(C(C)C)n1 262852239 GLCCEBWITLTREN-NSHDSACASA-N 293.323 0.834 0 50 CCAA C[C@@](NC(=O)C1CCC(O)CC1)(C(=O)O)C1CC1 909321952 AVDQFKPSZFCTMS-RHYVWVDMSA-N 255.314 0.907 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cc(C)nn1C 818192611 XCRNHJGTOFTDDW-CQSZACIVSA-N 280.372 0.456 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCN(CC)C(=O)[C@H]1CC 861003933 YSVGCACKKLSMGL-LLVKDONJSA-N 281.356 0.100 0 50 CCAA CC1(C)Cc2n[nH]cc2CN(C(=O)C2=NO[C@H](CN)C2)C1 952894543 NVUIWQXWNIGGAO-JTQLQIEISA-N 291.355 0.424 0 50 CCAA CCCc1no[nH]c1=NS(=O)(=O)c1cncc(C)c1 1875280094 UGWMUEMCIYVNSE-UHFFFAOYSA-N 282.325 0.948 0 50 CCAA O=C1CC[C@@H](C(=O)NO[C@@H]2CCOC2)n2cccc21 1875261352 UJQZIDMKTZYNDC-KOLCDFICSA-N 264.281 0.842 0 50 CCAA C[C@@H]1CO[C@H](CN(C)C(=O)[C@@H](O)Cc2cn(C)cn2)C1 1875323717 QCRMCDWTRQWUTI-DRZSPHRISA-N 281.356 0.207 0 50 CCAA COC(=O)[C@@H]1CCN(C(=O)N(C)c2ncccc2F)O1 1875378751 DFHFESNSUJWPCR-VIFPVBQESA-N 283.259 0.956 0 50 CCAA O=C(NCc1cc[nH]n1)[C@H]1CC(=O)N(c2nccs2)C1 1177334503 YRTVZVXBRFSWGE-QMMMGPOBSA-N 291.336 0.536 0 50 CCAA O=C(N1CC(OC(F)F)C1)[C@@]12CCCN(CC1)C2 897494940 UJNCDNVLTRZBQB-LBPRGKRZSA-N 260.284 0.922 0 50 CCAA C[C@@H](O)Cn1cc(CNC(=O)c2ccccc2)nn1 899705913 KPKPZWUVJCPULE-SNVBAGLBSA-N 260.297 0.589 0 50 CCAA CO[C@H]1C[C@@H](CO)N(Cc2c(C)nn(C)c2Cl)C1 310812706 GENOYMYQPCEJKD-UWVGGRQHSA-N 273.764 0.964 0 50 CCAA O=C(CCC(F)(F)F)NC[C@@]1(O)CCCNC1 534672957 IKOPLMADWBMHTQ-SECBINFHSA-N 254.252 0.560 0 50 CCAA O=C1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)C(=O)N1 334355501 AQLFXZAQRTUHMN-IUCAKERBSA-N 250.298 0.488 0 50 CCAA Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 181984 KPFVXQWJRIFFAH-UHFFFAOYSA-N 270.292 0.482 0 50 CCAA COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(N)=O 182778 LJTFBHZNUZTCTC-NSHDSACASA-N 261.281 0.808 0 50 CCAA Cn1nnc(NC(=S)NC(=O)Cc2ccccc2)n1 558090 GMVNXDRVJQRXIL-UHFFFAOYSA-N 276.325 0.266 0 50 CCAA CC(C)(CO)NC1=NS(=O)(=O)c2ccccc21 1461773 WNZPODAUNNQYLP-UHFFFAOYSA-N 254.311 0.496 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)NCCc2ccc(F)cc2)C1 2356159882 UFIUCNGRHMYAEG-ZIAGYGMSSA-N 280.343 0.797 0 50 CCAA NC(=O)c1cc(NC(=O)c2cccnc2)cc(C(N)=O)c1 8379324 PTNIDLBRXDJHPY-UHFFFAOYSA-N 284.275 0.532 0 50 CCAA O[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cnc[nH]1 344602648 IJTQQOVAFBAHBX-RWMBFGLXSA-N 251.330 0.772 0 50 CCAA Cc1ccn(C)c(=O)c1NC(=O)N(CCO)C1CC1 332162273 RHATWMOFLVBLQY-UHFFFAOYSA-N 265.313 0.682 0 50 CCAA O=C([C@@H]1CSCN1)N1CCO[C@@H]([C@@H]2CCCO2)C1 122010891 YIEBGOAUFVZLIY-GARJFASQSA-N 272.370 0.055 0 50 CCAA COC[C@@H]1CN(C(=O)C2(C(C)=O)CC2)C[C@H](C)O1 331420814 QIHOOWMHDXPMCJ-ONGXEEELSA-N 255.314 0.618 0 50 CCAA C[C@H](N)[C@H]1CCCCN1C(=O)c1cc(C(N)=O)cn1C 122223925 RGVQFWUDCFEBDF-GXSJLCMTSA-N 278.356 0.466 0 50 CCAA C=CC(=O)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 328599761 TYKGIKZNNRQHRW-NSHDSACASA-N 252.314 0.412 0 50 CCAA CN1CCN(C(=O)[C@@H]2CCCCO2)C[C@@H]1c1ncc[nH]1 328629734 PCQFPPIPIRRCTO-NEPJUHHUSA-N 278.356 0.794 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 332863415 YHZSUQRRYUCPNJ-SVPLCASGSA-N 296.367 0.354 0 50 CCAA C[C@H](C(=O)NCCN(C)S(C)(=O)=O)n1cccc1 71760655 IXSBETCWLQHPIR-SNVBAGLBSA-N 273.358 0.057 0 50 CCAA CCOC1CC(C(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)C1 376975673 UPKVTHPPRRYSJS-GRZMOONWSA-N 294.355 0.530 0 50 CCAA C[C@H](CC(=O)NCCCC(=O)O)[C@H]1CCCNC1 157038014 LDOZPIRNCLBDCF-MNOVXSKESA-N 256.346 0.993 0 50 CCAA CNS(=O)(=O)CC(=O)N1CC[C@@H](Cc2ccncc2)C1 374696530 XWYWGDOYHJISFY-LBPRGKRZSA-N 297.380 0.022 0 50 CCAA Cc1ncc2c(c1CNC(=O)c1c[nH]c(=O)cn1)CCNC2 72410538 DVIYRPFJVSISEO-UHFFFAOYSA-N 299.334 0.049 0 50 CCAA CCNC(=O)N1CC[C@@H](N2C(=O)N3CCC[C@]3(C)C2=O)C1 335963352 UNNXHWQRMRKTDY-QMTHXVAHSA-N 294.355 0.607 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)C[C@H]1C(N)=O 284739429 MZGYCHJGTGGKFS-LDYMZIIASA-N 286.328 0.568 0 50 CCAA Cc1nc(C)c(CC(=O)NCCN2CCOCC2)s1 41179583 DKEFBDUFMSJUHV-UHFFFAOYSA-N 283.397 0.751 0 50 CCAA CCO[C@H]1CN(CCn2c(=O)oc3ccccc32)C[C@@H]1O 222991092 JWEKOCQBHDJYKZ-JSGCOSHPSA-N 292.335 0.676 0 50 CCAA Cc1ccccc1OCC(=O)N[C@@H]1CCOC[C@H]1O 222991960 PCPUBQBZKQTSFM-VXGBXAGGSA-N 265.309 0.640 0 50 CCAA NC1(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CCCC1 178195366 WTZMBAUMIAKKDO-NWDGAFQWSA-N 268.357 0.664 0 50 CCAA Cc1cccnc1CCNC(=O)[C@@H](C)N1CCN(C)CC1 426548383 BIPRBEGNUNMZAZ-CQSZACIVSA-N 290.411 0.685 0 50 CCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1n[nH]c2ccccc12 616766988 YFWHTCBVAGEBPI-OUCADQQQSA-N 297.318 0.864 0 50 CCAA COc1ncc(C(=O)NCC(=O)NC(C)(C)C)cn1 426523403 HNONRTBSUHIQFP-UHFFFAOYSA-N 266.301 0.130 0 50 CCAA CCc1nnc(NC2CCN(CC(=O)NC3CC3)CC2)o1 95392298 RYASUDHMAKTZSN-UHFFFAOYSA-N 293.371 0.787 0 50 CCAA CCc1nccn1CC(=O)N1CCC2(CC1)[C@@H](O)C[C@H]2O 91662995 ZFCSXNKZASHMTJ-TXEJJXNPSA-N 293.367 0.180 0 50 CCAA Cn1cnc(S(=O)(=O)N2CCC[C@]3(CCOC3)C2)c1 95392810 GKQNAFQQDOEPDR-LBPRGKRZSA-N 285.369 0.611 0 50 CCAA Cc1nnc2n1[C@H](C)CN(C(=O)CCn1cncn1)C2 97295024 KLAYOXCTKFPUSZ-SECBINFHSA-N 275.316 0.172 0 50 CCAA C[C@@H](NS(=O)(=O)N1CCCCC1)c1cnn(C)c1 266140091 CMINJHGSFYXFKV-SNVBAGLBSA-N 272.374 0.801 0 50 CCAA Cc1cnn([C@@H](C)C(=O)N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)c1 534650104 CHLRBXWRHYOKFI-PDWCTOEPSA-N 274.368 0.961 0 50 CCAA O=S(=O)(NC[C@@H]1CCN(C2CCCC2)C1)c1cn[nH]c1 534673609 BRORMIUDQXGEHE-NSHDSACASA-N 298.412 0.953 0 50 CCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(CCCn1cnnn1)CC2 299760590 VDYUIAPRVMKOJR-RWMBFGLXSA-N 281.360 0.068 0 50 CCAA CC(C)(CO)CNS(=O)(=O)CC(=O)c1ccccc1 725375033 CBDZDYKGMMMVJU-UHFFFAOYSA-N 285.365 0.807 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NC1CCS(=O)(=O)CC1 827847805 WDQQQIBAUXVLPS-UHFFFAOYSA-N 285.369 0.262 0 50 CCAA CCCN1C[C@H](NC(=O)c2cncn2C)CC1=O 584887320 VTSSYBOKLVXQDT-SECBINFHSA-N 250.302 0.161 0 50 CCAA O[C@H]1CN(Cc2ccncc2Cl)C[C@@H]1N1CCOCC1 670459282 DBGRDRQVLWJIFP-KBPBESRZSA-N 297.786 0.612 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)Cc2ccsc2)C1 630252845 SWQYYZIPAXSXAY-LBPRGKRZSA-N 269.322 0.993 0 50 CCAA C=CC(=O)NCCC(=O)NC[C@@H]1COC2(CCCC2)O1 271629690 YGCKGZLUXABBIU-LLVKDONJSA-N 282.340 0.481 0 50 CCAA Cc1ccc(C(=O)N2CCOC[C@H]2CO)c(C)n1 168562758 ZQTLNHAFWGGARK-LLVKDONJSA-N 250.298 0.532 0 50 CCAA O=C1C[C@H](C(=O)N(C[C@@H]2CCCN2)C2CC2)CCN1 186536281 FYYUKUJTJWOOJQ-MNOVXSKESA-N 265.357 0.256 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)c1cc(C2CC2)on1 188894094 WCXGFHKXPYUECE-QMMMGPOBSA-N 263.297 0.903 0 50 CCAA CO[C@H]1CCN(S(=O)(=O)CCn2ccnc2)C[C@@H]1C 641521062 FHQHRODENKCINK-RYUDHWBXSA-N 287.385 0.570 0 50 CCAA COCc1ncsc1C(=O)N1CCNC[C@@H]1C(F)F 571396092 ASLDNRHERGXUJA-MRVPVSSYSA-N 291.323 0.969 0 50 CCAA COCCOCCN1CCN(C(=O)c2cccn2C)CC1 584907813 MCGUTBIFNQDLJL-UHFFFAOYSA-N 295.383 0.446 0 50 CCAA O=C(NCCc1ccccn1)[C@H]1CN2CCC[C@H]2CO1 585120731 GFDZHKMXSLUEDM-UONOGXRCSA-N 275.352 0.604 0 50 CCAA CC(C)[C@H]1C[C@@H]1NC(=O)c1cnn(C)c1-n1cnnc1 1615002788 JJIBXWRNBXFHFG-KOLCDFICSA-N 274.328 0.775 0 50 CCAA Cn1ncc(CNC(=O)[C@H]2CCO[C@@H]2c2cccnc2)n1 1615049684 QKSHCWPMUZDFLL-QWHCGFSZSA-N 287.323 0.604 0 50 CCAA CC1(CNC(=O)[C@]23CNC[C@H]2CCOC3)CCNCC1 1648979044 FVIFGGQCMJAWEM-DOMZBBRYSA-N 281.400 0.118 0 50 CCAA COCCSc1nnc(NC(=O)[C@@H](C)N)s1 1529167859 RRMBSTAGZQRXLT-RXMQYKEDSA-N 262.360 0.562 0 50 CCAA OC[C@@H]1C[C@H](O)CN1c1ncccc1Br 408105686 IOMQJGJVBCMLQP-YUMQZZPRSA-N 273.130 0.776 0 50 CCAA CN(C)c1ccc(CC(=O)N[C@H]2CCNC[C@@H]2O)cc1 220004091 CHTZVZJEKFSEOH-KBPBESRZSA-N 277.368 0.134 0 50 CCAA CC(C)n1cc(S(=O)(=O)NC(C)(C)C(=O)O)cn1 567467599 BWMBVPIGNRCUPQ-UHFFFAOYSA-N 275.330 0.606 0 50 CCAA O=C(OC[C@@H]1CO1)[C@@H]1CCCC[C@H]1C(=O)OC[C@H]1CO1 143983583 XFUOBHWPTSIEOV-WRWGMCAJSA-N 284.308 0.677 0 50 CCAA in-vitro C1CO[C@@H](CCN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)CO1 1775980262 WRDKOLYIYTVHRI-PDWCTOEPSA-N 252.358 0.474 0 50 CCAA O=C(O)Cc1ccc(CN2CCC([C@H](O)CO)CC2)cc1 1772818342 QPLUMJFLNZRPFJ-OAHLLOKOSA-N 293.363 0.879 0 50 CCAA CN(C)CCNC(=O)c1ccc(N2CCOCC2)cc1 13613724 CNTBRMLMHIOIND-UHFFFAOYSA-N 277.368 0.815 0 50 CCAA COc1cccc2c1OC[C@@H](NCCN1CCNC1=O)C2 15061532 UXGAYVOVJQSDAU-LBPRGKRZSA-N 291.351 0.614 0 50 CCAA COc1ccc(CC(=O)NCCN2CCOCC2)cc1 19607009 OXDKSCXAFCESTP-UHFFFAOYSA-N 278.352 0.686 0 50 CCAA CNC(=O)Cn1cc(-n2ccnc2-c2nccn2C)cn1 1857688085 SQKDWVONIYHQEW-UHFFFAOYSA-N 285.311 0.215 0 50 CCAA CCC[C@]1(CO)CCN(c2cc(OC)nc(=N)[nH]2)C[C@H]1O 1875250867 NFEWUAPRCCCXST-QMTHXVAHSA-N 296.371 0.248 0 50 CCAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1 82349 JFUFURNMLIXMKG-GFCCVEGCSA-N 262.309 0.770 0 50 CCAA in-vitro Cc1cc(O)nc(NS(=O)(=O)c2ccc(N)cc2)n1 18129169 DYFIKPYMDZVONX-UHFFFAOYSA-N 280.309 0.874 0 50 CCAA in-vitro O=C(c1c[nH]nc1OCC(F)(F)F)N1CCOCC1 1875307421 XZOOMVLGXPANAN-UHFFFAOYSA-N 279.218 0.823 0 50 CCAA Cc1nocc1S(=O)(=O)NCCc1ccns1 882561604 HTSJLIQMFHJWHI-UHFFFAOYSA-N 273.339 0.961 0 50 CCAA Cc1ccccc1CCC(=O)N[C@@H]1CNC[C@@H]1n1ccnn1 886077639 NCFQTKXOAYJRNS-CABCVRRESA-N 299.378 0.848 0 50 CCAA C[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H](C)N1 154188438 XRJZHZPTQSKQTF-VXGBXAGGSA-N 263.341 0.447 0 50 CCAA Cc1cccc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c1F 285406051 HEESSCJHHWYKHV-CQSZACIVSA-N 280.299 0.587 0 50 CCAA Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)s1 317555674 ZJJXROSAFQPVLH-VHSXEESVSA-N 291.394 0.339 0 50 CCAA CC[C@H](NC(=O)N1CCO[C@H](C(=O)O)C1)C(F)(F)F 669504384 TXWXHJMBNGLEQI-BQBZGAKWSA-N 284.234 0.822 0 50 CCAA C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(S(C)(=O)=O)cc1 639848971 KQLASQZGFKBQAS-TZMCWYRMSA-N 299.392 0.408 0 50 CCAA CC1(C)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H](CO)O1 333466511 HOEBWYBPEHCTQZ-KXNHARMFSA-N 269.341 0.552 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 49741 HINOXWVZGLPOED-SCZZXKLOSA-N 251.238 0.705 0 50 CCAA CCN(CC(=O)NC)S(=O)(=O)c1ccc(C)cc1 528122 QAYWVUQHXQDDNS-UHFFFAOYSA-N 270.354 0.752 0 50 CCAA Cc1[nH]nc(CCC(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)c1C 2356142238 JUBZNWVFOKHLHS-WDEREUQCSA-N 276.340 0.164 0 50 CCAA NC(=O)CC[C@H]1NC(=S)N(c2ccccc2)C1=O 6096751 UNCINZHSIAEDPO-SECBINFHSA-N 263.322 0.542 0 50 CCAA C[C@@H]1CN(C(=O)[C@H](c2cncn2C)N(C)C)C[C@@H](C)O1 280730723 IOFBQGVDPIWYQB-WZRBSPASSA-N 280.372 0.659 0 50 CCAA CC1(C)C[C@]2(CCO1)NCCN1C(=O)CS[C@H]12 55152989 CEZNQEDIPGJTON-JQWIXIFHSA-N 256.371 0.819 0 50 CCAA biogenic COCC[C@H](CO)NC(=O)c1cnn(C(C)C)c1C 253432150 WVXAUTADFQXBID-LLVKDONJSA-N 269.345 0.900 0 50 CCAA O=C(C1CC1)[C@@H]1CN(C(=O)Cc2cncs2)CCO1 328674349 JSYRODNSJRAZGO-NSHDSACASA-N 280.349 0.892 0 50 CCAA CN(CC(=O)O)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 153093119 IKQHVDKKXWUTKY-FZMZJTMJSA-N 290.319 0.749 0 50 CCAA CC(C)c1cc(NCc2nnn[nH]2)n2nccc2n1 72409694 PQQSDRCSZANTDN-UHFFFAOYSA-N 258.289 0.978 0 50 CCAA CC(C)n1ncnc1CN1CCCNC(=O)[C@@H]1C 366107670 IKMOFDLMNUOFQN-JTQLQIEISA-N 251.334 0.569 0 50 CCAA O=C1C[C@@]2(CCN(C(=O)c3n[nH]c4c3CCCC4)C2)CN1 376433417 KOKBFTDBCSDHHS-HNNXBMFYSA-N 288.351 0.641 0 50 CCAA NCC(=O)N1CCC[C@H](CN2CCO[C@@H](C3CCC3)C2)C1 333133207 IDUDIIRNGVHKCZ-UKRRQHHQSA-N 295.427 0.685 0 50 CCAA Cc1ccc2c(c1)OCCN2S(=O)(=O)c1cnnn1C 333131944 DYBUCPDATNDYEI-UHFFFAOYSA-N 294.336 0.711 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2ncccc2Cl)C1 284523683 MAHVNAQRTUZZGK-CBAPKCEASA-N 255.705 0.814 0 50 CCAA CC(C)n1cc(C(=O)NCCSc2nnnn2C)cn1 77438101 KTLOUYMKUWRQFT-UHFFFAOYSA-N 295.372 0.510 0 50 CCAA CC(=O)Nc1ncc(S(=O)(=O)NCC2CC2)s1 283479798 HNQPHIIIDAWNIL-UHFFFAOYSA-N 275.355 0.790 0 50 CCAA C[C@H](CN(C)c1cncc(-n2cccn2)n1)C(=O)O 263565002 VGFOYXVKTDBGCD-SECBINFHSA-N 261.285 0.819 0 50 CCAA CC[C@@H](NC(=O)CCn1nnnc1C)c1nc(C)no1 223395405 HMULKRWEBZSIRE-SECBINFHSA-N 279.304 0.331 0 50 CCAA CC(C)(CN1CCOCC1)CN1C[C@@H]2CCN[C@@H]2C1 426517822 JOTQVWAGHYYPKP-UONOGXRCSA-N 267.417 0.639 0 50 CCAA O=C(O)[C@H]1C=CCN1C(=O)CC1=CSC2=NCCCN12 426598800 CBSUHMIKGRXREY-SNVBAGLBSA-N 293.348 0.878 0 50 CCAA COCC[C@]1(C(=O)O)CCCN(C(=O)c2cn[nH]n2)C1 91690512 NPJKKAPRJDUFTR-GFCCVEGCSA-N 282.300 0.148 0 50 CCAA Cc1nc([C@H]2CSC(C)(C)C(=O)N2)n(CC(=O)O)n1 97757922 BFOUIRYBPFCDFB-SSDOTTSWSA-N 284.341 0.354 0 50 CCAA C[C@H](CNc1nnc(C2CC2)o1)N1CCN(C)CC1 95379103 LIVRIAGEQAXRBC-SNVBAGLBSA-N 265.361 0.995 0 50 CCAA COc1cccc2sc(NC(=O)[C@@H]3C[C@@H](O)CN3)nc12 299751663 RFEHPTPZPCOWIL-SFYZADRCSA-N 293.348 0.966 0 50 CCAA CNC(=O)Cn1cc(NC(=O)CCc2cccnc2)cn1 617157461 MGXAFFNFUHLLQU-UHFFFAOYSA-N 287.323 0.595 0 50 CCAA O=C(NCC1CCN(c2ncccn2)CC1)[C@@H]1CCOC1 368977365 FVLNROHUYULCFI-CYBMUJFWSA-N 290.367 0.846 0 50 CCAA CNC(=O)[C@@H]1CCN(C(=O)c2cncc(Cl)c2)C1 622727015 ZKTQMXFQOTVTRO-MRVPVSSYSA-N 267.716 0.943 0 50 CCAA Cc1nonc1CC(=O)N[C@@H](C)c1nncn1C(C)C 299795041 LPRKGMZETYLAKD-VIFPVBQESA-N 278.316 0.970 0 50 CCAA COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](OC)C2)cc1 824504769 NSZATSIFQHAHJR-RYUDHWBXSA-N 287.337 0.075 0 50 CCAA CNS(=O)(=O)CCn1cnc2c(C)csc2c1=O 584900723 YRVUPZLZQZICKO-UHFFFAOYSA-N 287.366 0.316 0 50 CCAA O=C(CN1CCCC1)NC1CCN(C2CCOCC2)CC1 670450779 YYXYBMCODIOUPG-UHFFFAOYSA-N 295.427 0.842 0 50 CCAA Cc1nc(CC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)n[nH]1 585134783 JVNMOZKHZLBTGB-MXWKQRLJSA-N 292.339 0.900 0 50 CCAA CCCc1cc(CNS(=O)(=O)N2CCOCC2)on1 670456473 FYRYEXULRNUKAJ-UHFFFAOYSA-N 289.357 0.294 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1CCS(=O)CC1 1362063727 QAKWKFMONSMPFY-UHFFFAOYSA-N 281.337 0.264 0 50 CCAA O=C(Nc1ccc2c(c1)OCO2)N1C[C@@H](O)[C@H](F)C1 952964704 PAZLMSHJMZABHC-RKDXNWHRSA-N 268.244 0.962 0 50 CCAA CCc1ccc2occ(C(=O)NC[C@@H](O)C(N)=O)c2c1 408517811 VJNIVILKIRRTFG-LLVKDONJSA-N 276.292 0.571 0 50 CCAA C[C@H](CC[S@@](C)=O)Nc1cc(-n2cccn2)nc(N)n1 271453180 QBRRGZPJFINWLH-GSDQLPOLSA-N 294.384 0.814 0 50 CCAA C[C@H]1C(=O)N(C[C@H](n2cncn2)C(F)(F)F)C(=O)N1C 630990552 DXAXZAGSFIAZBD-BQBZGAKWSA-N 291.233 0.664 0 50 CCAA C=CC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 585091675 LYJGFNARNMCRQN-MRVPVSSYSA-N 252.236 0.552 0 50 CCAA O=c1nc(-c2nc[nH]n2)[nH]c2cc3c(cc12)OCO3 683896171 BYELWCVGGFSXTN-UHFFFAOYSA-N 257.209 0.437 0 50 CCAA CC(C)(C)c1n[nH]c(CN=c2[nH]c(C(=O)O)co2)n1 567238875 ZESTXIQGBBBREF-UHFFFAOYSA-N 265.273 0.822 0 50 CCAA CNS(=O)(=O)CCNc1nccc2cccnc12 716987429 MMOLGYYBCRNDBJ-UHFFFAOYSA-N 266.326 0.591 0 50 CCAA Cc1cnc(COCC(=O)N[C@H]2CCC(=O)NC2(C)C)o1 671832729 ZHNKURIIIUDFAL-JTQLQIEISA-N 295.339 0.673 0 50 CCAA COCC(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2 1615545797 IZJQAYYNFPVJLR-RKDXNWHRSA-N 252.236 0.291 0 50 CCAA Cc1nnc(CN(C)[C@@]2(C)CCS(=O)(=O)C2)s1 1529151871 GKKRJRUFTKEOHZ-JTQLQIEISA-N 275.399 0.856 0 50 CCAA NC(=O)CN1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704338610 VTBFUYGOYCNPNQ-IUODEOHRSA-N 285.347 0.555 0 50 CCAA O=C([C@H]1CC[C@@H](O)CC1)N(CCO)Cc1ncc[nH]1 1704308871 SRCVEKYAOFNSIT-PHIMTYICSA-N 267.329 0.282 0 50 CCAA CO[C@H](CC(C)C)C(=O)N1CCN2C(=O)NC[C@@H]2C1 416170775 MBJBDBRYVHXPNX-GHMZBOCLSA-N 269.345 0.284 0 50 CCAA Cc1ccsc1S(=O)(=O)NC[C@@H]1CNCCCO1 333474322 BFOCQYKZENBEIY-JTQLQIEISA-N 290.410 0.713 0 50 CCAA CNC(=O)c1cccc(NC(=O)CCC(=O)O)c1 13630538 WDZZPPZVHBBDJO-UHFFFAOYSA-N 250.254 0.850 0 50 CCAA CN(Cc1cnc2ccccn12)C(=O)C1=NN(C)C(=O)CC1 19840350 LVQSMTNBWLVXSW-UHFFFAOYSA-N 299.334 0.901 0 50 CCAA Cc1ccc(S(=O)(=O)N2CC3(C2)OC[C@@H]3O)cc1 169541504 QKMITJUXEPDHIP-NSHDSACASA-N 269.322 0.129 0 50 CCAA Cc1nc(-c2cccc(C(=O)N3C[C@@H]4C[C@H]3C(=O)N4)c2)no1 1857677343 XDWHFRIJRGJFMF-RYUDHWBXSA-N 298.302 0.758 0 50 CCAA O=C([C@@H]1CCOC1)N1CCC(n2cnnc2)CC1 1857688696 WWZYYMYYRIKPPA-SNVBAGLBSA-N 250.302 0.478 0 50 CCAA CNC(=O)NC1CN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 332465181 QNMNXXNYXNXRHL-CYBMUJFWSA-N 296.415 0.637 0 50 CCAA c1ncc(OCc2nnnn2CC2CCOCC2)cn1 901703591 LKPBPKIAQJGWCS-UHFFFAOYSA-N 276.300 0.469 0 50 CCAA CN1C[C@@H]2CN(C(=O)Nc3nncs3)C[C@]2(C)C1 929096329 HCNJPICGPWDSNA-KCJUWKMLSA-N 267.358 0.954 0 50 CCAA COc1cc(C(=O)N2CCO[C@]3(CCOC3)C2)ncn1 935434558 ROAUWRVYEYISDN-CYBMUJFWSA-N 279.296 0.117 0 50 CCAA O=C(c1ccccc1O)N1CC[C@H](Cc2nn[nH]n2)C1 1875286143 MOBROPZXVBLRHE-SECBINFHSA-N 273.296 0.610 0 50 CCAA O=C(N=c1[nH]ccn2nccc12)c1ccnc(F)c1 1875378841 GKAIHJCKYRYFBT-UHFFFAOYSA-N 257.228 0.938 0 50 CCAA CC1(C)CCN(CCNC(=O)[C@]23CNC[C@H]2COC3)C1 1775961400 YDCVVUOQYHLAOJ-WFASDCNBSA-N 281.400 0.071 0 50 CCAA C=CC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C 1776004692 OKVKPFTZNKBJPZ-ZDUSSCGKSA-N 257.297 0.803 0 50 CCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)c1cc(C2CC2)on1 659169428 AFYRWLIMOZOSJV-OIBJUYFYSA-N 266.253 0.524 0 50 CCAA Cn1nnnc1CN1CCC[C@@](O)(C(F)(F)F)C1 408220248 URWRJXKLMCHVBK-QMMMGPOBSA-N 265.239 0.099 0 50 CCAA O=C(N1CCCC2(CC1)CC2)[C@@]1(O)CCCNC1 638757725 ZHSWZBVRVNORCY-CQSZACIVSA-N 252.358 0.894 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1ccncc1Cl 91456731 KNFWBOGKGBAUGX-UWVGGRQHSA-N 255.705 0.452 0 50 CCAA CN(C)[C@H]1CN(C(=O)CCC(F)(F)F)C[C@@H]1O 575000466 DESWODCYKOVNBR-YUMQZZPRSA-N 254.252 0.462 0 50 CCAA Cc1cc2c(cc1C)N[C@@H](CC(=O)NC(N)=O)C(=O)N2 4030491 HBHPXIDZYDCXJJ-JTQLQIEISA-N 276.296 0.621 0 50 CCAA Cn1c(=O)[nH]c(=O)c2c1nc(N)n2CCCc1ccccc1 42035 XKGFCCNDYUVSSW-UHFFFAOYSA-N 299.334 0.638 0 50 CCAA O=C1CC[C@@H](NC(=O)c2ccc3ncoc3c2)C(=O)N1 1857798213 VMQFZBAWCSKEGL-SECBINFHSA-N 273.248 0.363 0 50 CCAA O=C(c1c[nH]c(=O)cn1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356156217 XIXNISUXAUBZOS-HNNXBMFYSA-N 299.334 0.613 0 50 CCAA COC(=O)c1ccnc(C(=O)NCC2(C(=O)OC)CC2)c1 415473608 GSDNZTDATGMMQH-UHFFFAOYSA-N 292.291 0.551 0 50 CCAA C[C@@H](C(=O)NCCN1CCC[C@@H](O)C1)n1ccnc1 106993816 SSSMBMSYVPSPKA-NWDGAFQWSA-N 266.345 0.017 0 50 CCAA Cc1cc(-n2cnnc2CCn2cccn2)n(C)n1 67654408 KFSTVYRMJYVBIU-UHFFFAOYSA-N 257.301 0.748 0 50 CCAA COc1ccc(Cl)cc1-n1c(CN)n[nH]c1=O 65380592 FFUHMECSMOJFTM-UHFFFAOYSA-N 254.677 0.681 0 50 CCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1occc1C 67712637 VKFXKPOIZZISMA-UWVGGRQHSA-N 265.313 0.266 0 50 CCAA CC[C@@H](C(N)=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 119751079 LLVUMWWIXWIVBW-IXXDHKBRSA-N 294.443 0.493 0 50 CCAA CCc1cc(N2CCNC(=O)C2)nc(N2CCCCC2)n1 32553292 XJVOLNDKDDASRN-UHFFFAOYSA-N 289.383 0.966 0 50 CCAA C[C@H]1c2ccccc2CCN1C(=O)CNC(=O)CN 124835851 BGMNHDFYVVLZGN-JTQLQIEISA-N 261.325 0.207 0 50 CCAA Cc1c(Cl)c(C(=O)N2CCOC[C@@H](O)C2)nn1C 77440675 DRNJGUMTFZAHAP-QMMMGPOBSA-N 273.720 0.215 0 50 CCAA CCN1CCN(C(=O)CN(C)C(C)C)C[C@@H]1c1ncc[nH]1 328622219 IGWPYORWCQACIX-CYBMUJFWSA-N 293.415 0.955 0 50 CCAA O=C(C1CC1)N1CCCN(C[C@@H](O)C(F)(F)F)CC1 121170859 RCNHEUVFIIOYMZ-SNVBAGLBSA-N 280.290 0.854 0 50 CCAA COCCN1CC[C@H](CNC(=O)c2cnc(N)nc2C)C1 215751180 KMLZHOXVLRJZIZ-LLVKDONJSA-N 293.371 0.065 0 50 CCAA CN(C)C[C@@]1(O)CCCN(C(=O)Cc2cccnc2)C1 72168053 WXSHRMAFSXCUSF-HNNXBMFYSA-N 277.368 0.539 0 50 CCAA O=C(c1ncncc1Cl)N1CC(F)(F)C[C@@H]1CO 372549322 YUKLXXKZWQMYIT-ZCFIWIBFSA-N 277.658 0.972 0 50 CCAA CCN(CC(=O)O)C(=O)c1ccc(N2CCNC2=O)cc1 262454977 RLXKMWSQAUEVQT-UHFFFAOYSA-N 291.307 0.763 0 50 CCAA CC(C)C[C@H]1C(=O)NCCCN1Cc1cn(C)nn1 339263502 LHCRWCRFUWNGQH-LBPRGKRZSA-N 265.361 0.552 0 50 CCAA C[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCNC(=O)C2)CC1 336443110 JAJFAUIKRQFJAM-WDEREUQCSA-N 281.356 0.030 0 50 CCAA CN1C[C@H](NC(=O)c2ccc(F)cc2F)C[C@H]1CO 222352271 VTOPACPASIGXCM-ZJUUUORDSA-N 270.279 0.760 0 50 CCAA CC(=O)N1CC[C@H](C(=O)NCc2nnc3ccccn23)C1 175759708 RALVTTZSPDPBPM-NSHDSACASA-N 287.323 0.214 0 50 CCAA C[C@@H](C(=O)N1CCO[C@H](C(=O)O)C1)C1CCOCC1 263301273 UOQMXICOJOWONW-KOLCDFICSA-N 271.313 0.361 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc2cncn2c1 287117952 YADDSORPISVEIP-KOLCDFICSA-N 276.271 0.372 0 50 CCAA COC[C@@H]1[C@@H](NC(=O)c2nccn2C)[C@@H]2CCO[C@@H]21 220056978 MKHKRLSULZSOAY-VLEAKVRGSA-N 265.313 0.200 0 50 CCAA CN(C(=O)NCCc1csc(=N)[nH]1)C1CCOCC1 426489899 JQEPPEHEGRGABG-UHFFFAOYSA-N 284.385 0.919 0 50 CCAA CN(Cc1cnccn1)c1cc([C@@H]2CCOC2)nc(N)n1 426361344 QMICNXWARTVURK-SNVBAGLBSA-N 286.339 0.989 0 50 CCAA CNC(=O)NCCC(=O)N[C@H]1c2ccccc2C[C@H]1O 293677298 KONHHIXFQKMEOE-YPMHNXCESA-N 277.324 0.080 0 50 CCAA COCCn1ccnc1[C@@H]1CCCN(S(C)(=O)=O)C1 91846893 DOXOZHLYFLZEQI-LLVKDONJSA-N 287.385 0.669 0 50 CCAA CN(Cc1ccc(OCC(=O)O)cc1)[C@H]1COC[C@@H]1O 97475462 ZHGSMJJDNXTRKL-STQMWFEESA-N 281.308 0.342 0 50 CCAA O=C(Cn1cnnn1)N[C@@H]1CCCOc2cc(F)ccc21 181641116 YALBNJYAFUFFIK-LLVKDONJSA-N 291.286 0.842 0 50 CCAA CCN(CCn1cc[nH]c1=O)Cc1nc(C)no1 244866690 WARYKAQFMSKYKS-UHFFFAOYSA-N 251.290 0.390 0 50 CCAA CCc1nnc(CNC(=O)c2n[nH]c3c2COCC3)o1 252483449 FBUKIHPKIOKSJR-UHFFFAOYSA-N 277.284 0.358 0 50 CCAA COC(=O)c1cc(O)cc(C(=O)N2CC[C@@H](CN)C2)c1 534574441 FNMFUKXJQPHTGL-VIFPVBQESA-N 278.308 0.600 0 50 CCAA CC(C)c1noc([C@@H](C)NS(=O)(=O)N(C)C)n1 822285219 VUINXAGFAHEIRV-SSDOTTSWSA-N 262.335 0.650 0 50 CCAA CCOCC(=O)Nc1ccc(-n2cnnn2)cc1OC 823316679 NUPLBWVBTSZOND-UHFFFAOYSA-N 277.284 0.646 0 50 CCAA COCCc1noc(CNC(=O)N(C)[C@H]2CCN(C)C2)n1 584892503 QEHYDAJYIADYFG-JTQLQIEISA-N 297.359 0.104 0 50 CCAA CCCn1cc(CNC(=O)CN(C)C2CCNCC2)cn1 584889267 RFUWUPZLPMSLST-UHFFFAOYSA-N 293.415 0.593 0 50 CCAA CCCn1cnnc1[C@H](C)NC(=O)c1cncn1C 584886260 CQRWDUYPZIFMFF-VIFPVBQESA-N 262.317 0.913 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)c2ccc(OC)nc2)C1 670472681 WIGNZXPWXDGCQS-SNVBAGLBSA-N 277.324 0.688 0 50 CCAA CC(=O)N1CCN(Cc2coc(C(C)C)n2)C[C@@H](O)C1 670452080 WQNIAZNZEOTDNS-CYBMUJFWSA-N 281.356 0.823 0 50 CCAA CCc1nnc(CN(C)S(=O)(=O)c2cccnc2)o1 670456608 BWUKZJWNMRGJLB-UHFFFAOYSA-N 282.325 0.848 0 50 CCAA NC(=O)c1cccnc1NCCN1CCCC[C@H]1CO 952863034 AOMYBUSRCBPEJX-NSHDSACASA-N 278.356 0.439 0 50 CCAA CCOC[C@@H]1CCCN1C(=O)Cc1c(C)nc(O)nc1O 952973568 FDPQDBPGELDWJB-JTQLQIEISA-N 295.339 0.766 0 50 CCAA Cc1cc(C)c(C(=O)N2CCOC[C@@H]2C(=O)O)o1 268993822 UNDMTSQMBFAWMZ-SECBINFHSA-N 253.254 0.822 0 50 CCAA Cc1nc(Cn2cc(C(=O)N3CCCC3)nn2)no1 278748924 JJOUTUCCLNNVRP-UHFFFAOYSA-N 262.273 0.254 0 50 CCAA Cc1ccc(C(=O)NCCc2nc(=O)o[nH]2)cc1C 280249427 ZDDYNKWQTXWSIG-UHFFFAOYSA-N 261.281 0.952 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)C[C@H]1CO 189179241 CHLZWHNQTTZEHS-KOLCDFICSA-N 298.364 0.034 0 50 CCAA O=c1[nH]ccnc1N1CCC[C@H](Nc2cnccn2)C1 663826546 PUOAPFHQMCBWOL-JTQLQIEISA-N 272.312 0.641 0 50 CCAA CN(C)[C@H]1C[C@H](N=c2nc(O)c3cnn(C)c3[nH]2)C1(C)C 585092372 SUEHOUYZSSTKNL-UWVGGRQHSA-N 290.371 0.631 0 50 CCAA CC[C@H]1OC2(CCN(C(=O)c3conc3C)CC2)NC1=O 1615593015 XAXJZOXDBCVXLL-LLVKDONJSA-N 293.323 0.840 0 50 CCAA Cn1nncc1CNC(=O)[C@@H](CN)C1CCCCCC1 1615554923 NTUKETVHIPJUOH-ZDUSSCGKSA-N 279.388 0.977 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)c1ccn(C2CCCC2)n1 1615629246 OGFZXISUQWBULC-QWHCGFSZSA-N 278.356 0.715 0 50 CCAA CCN1CC[C@@H](Nc2nc(N)c3cnn(C)c3n2)C1 1506410399 TWQMRLLSNBGRLL-MRVPVSSYSA-N 261.333 0.452 0 50 CCAA CN(C)C[C@@H](O)CN1CCN(c2ccncc2F)CC1 1506403419 RFRKLQSVDBTZNI-GFCCVEGCSA-N 282.363 0.265 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2O)n[nH]1 1529109520 CMUBDWUFZCGWGB-MFKMUULPSA-N 274.324 0.722 0 50 CCAA CN1C(=O)CCC12CCN(CC[C@H]1COCCO1)CC2 1775982201 LSXFWOIOZASALR-ZDUSSCGKSA-N 282.384 0.879 0 50 CCAA C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)CCCCO1 1772702316 QVCGSQNOAKQNSA-NTZNESFSSA-N 269.341 0.005 0 50 CCAA O=C1CCC(CCC(=O)N2C[C@H]3C[C@H](O)C[C@H]3C2)=NN1 1775981944 DZENPPTXSHJXBZ-IAZYJMLFSA-N 279.340 0.262 0 50 CCAA CNC(=O)NCc1cn(C[C@](C)(O)C(F)(F)F)nn1 900579228 ANVJNVMSGONIHJ-QMMMGPOBSA-N 281.238 0.020 0 50 CCAA Cc1nnc(CNC(=O)c2cccc3ncnn23)o1 1152894251 ISAKKOVWXHMRJC-UHFFFAOYSA-N 258.241 0.351 0 50 CCAA CCc1nc(CN2CCc3nnc(OC)cc3C2)n[nH]1 952887544 RIFWRDGDFVEGGG-UHFFFAOYSA-N 274.328 0.724 0 50 CCAA COC(=O)/C=C/CNC(=O)c1nnn(C(C)C)c1C 1875273139 AYUVVBSPUQRWNM-AATRIKPKSA-N 266.301 0.626 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CC(C(C)=O)C2)CC1 1875368981 LEOYXITXQJJMEX-UHFFFAOYSA-N 264.325 0.458 0 50 CCAA CN(CCCCCN)C(=O)c1cnc2ncnc(O)c2c1 1875347824 XOULPJIRGDFCSW-UHFFFAOYSA-N 289.339 0.931 0 50 CCAA COC(=O)/C=C/CNC(=O)c1ccnc(C2CC2)n1 1875333256 LEHVJUOXSDYYLW-NSCUHMNNSA-N 261.281 0.813 0 50 CCAA CC[C@@H]1c2ccccc2CN1C(=O)Cn1cnc(C(N)=O)n1 890614953 TZOZBNGJOQUOIC-GFCCVEGCSA-N 299.334 0.871 0 50 CCAA NC(=O)C1CCN(C(=O)c2cnc3n2CCCC3)CC1 1776002183 ITNXKYLNUHSUFF-UHFFFAOYSA-N 276.340 0.557 0 50 CCAA COc1cc(N2CC[C@]3(CCCNC3)C2)nc(N)n1 67739493 DBXDFGZNJCDDRK-ZDUSSCGKSA-N 263.345 0.647 0 50 CCAA Cc1nc([C@H](C)NC2CCN(S(C)(=O)=O)CC2)n[nH]1 65403617 GIQKWHPVXVWYDP-QMMMGPOBSA-N 287.389 0.188 0 50 CCAA CCn1cc(S(=O)(=O)NC2CC(CO)C2)nc1C 660146919 OOEVYMWJWKFOEW-UHFFFAOYSA-N 273.358 0.261 0 50 CCAA CC1(c2cc(C(=O)N=c3[nH]c(O)ncc3N)[nH]n2)CC1 2325865294 WKIKPNOQRXMZNR-UHFFFAOYSA-N 274.284 0.213 0 50 CCAA C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)O 156683 IPJUIRDNBFZGQN-SCZZXKLOSA-N 253.254 0.747 0 50 CCAA COc1cccc(NC(=O)[C@@H]2CC(=O)N=C(N)S2)c1 207402 FKZOXJMGLZMPIX-VIFPVBQESA-N 279.321 0.981 0 50 CCAA O=C(Nc1cccc(-n2cnnn2)c1)c1cnccn1 418343 KNCVOYXOESYXDB-UHFFFAOYSA-N 267.252 0.705 0 50 CCAA Cc1ccc(N([C@H](C)C(N)=O)S(C)(=O)=O)cc1C 614743 NVULRVUWCJDMCG-SNVBAGLBSA-N 270.354 0.943 0 50 CCAA CN1Cc2nnc(CO)n2[C@@H](Cc2ccccc2)C1=O 2356139061 LQPXIOAWPDWOGM-NSHDSACASA-N 272.308 0.526 0 50 CCAA COc1ccccc1CNC(=O)[C@@H]1CN(C)CC[C@H]1O 2356153999 DCXCKUUHOYXXSW-CHWSQXEVSA-N 278.352 0.624 0 50 CCAA CCCCNC(=O)C1CCN(S(=O)(=O)CC)CC1 4687465 QZUBOILZYYFUNQ-UHFFFAOYSA-N 276.402 0.964 0 50 CCAA C[C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)S(C)(=O)=O 130977855 CNXSTDPIJUKSEY-FXAINCCUSA-N 283.349 0.194 0 50 CCAA Cn1nnnc1SCc1nc2ccccc2c(=O)[nH]1 9060679 HOAFAJRJJALTMK-UHFFFAOYSA-N 274.309 0.739 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(CC(C)C)no1 67967065 APDDBQGMKWGPBY-ONGXEEELSA-N 294.355 0.161 0 50 CCAA O=S1(=O)CCC[C@H](CS(=O)(=O)[C@H]2CCCOC2)C1 328898268 WNSVRSLXLHPJHG-QWRGUYRKSA-N 296.410 0.405 0 50 CCAA Cc1csc(CNS(=O)(=O)c2c(N)noc2C)n1 281190545 OKLJLOBIQWKYSD-UHFFFAOYSA-N 288.354 0.809 0 50 CCAA O=C(N[C@@H]1CCCCNC1=O)c1cccc(-n2cnnc2)c1 215359425 JMGRCVXJEKTKLY-CYBMUJFWSA-N 299.334 0.666 0 50 CCAA Cc1cn(CCNS(=O)(=O)NCc2ccccc2)nn1 72121114 ROJCCIFQFQHSJC-UHFFFAOYSA-N 295.368 0.211 0 50 CCAA O=C(O)c1ccccc1CN1CCOC[C@H](CO)C1 77376182 JZSSEGQIJZIWBI-NSHDSACASA-N 265.309 0.826 0 50 CCAA C[C@]1(C(=O)N2CCc3ncsc3C2)CCC(=O)NC1 376148457 KVGOVEQHONCIIQ-ZDUSSCGKSA-N 279.365 0.944 0 50 CCAA O=C(Cn1cccn1)N(Cc1cccnc1)C[C@H]1CCNC1 328633832 MIGAASUABXDVJO-HNNXBMFYSA-N 299.378 0.916 0 50 CCAA CCN1CCN(C(=O)c2ccon2)C[C@@H]1c1ncc[nH]1 328633347 SNJMEYYPDBGIJF-LLVKDONJSA-N 275.312 0.917 0 50 CCAA CN1CC2(CCN(Cc3nccn3C)CC2)OC1=O 72428793 CJHHNXOSTUMMES-UHFFFAOYSA-N 264.329 0.837 0 50 CCAA C[C@H]1CNCCN1C(=O)c1cccc(-n2cncn2)c1 126111386 RRQQUUHTLXKZNL-NSHDSACASA-N 271.324 0.701 0 50 CCAA O=C([C@@H]1NCCc2[nH]cnc21)N1CC(Oc2cccnc2)C1 72448107 ONMNDJXHYQMPIE-CQSZACIVSA-N 299.334 0.281 0 50 CCAA CCn1nc(C(=O)N2CC[C@@H](N)[C@@H](OC)C2)cc1C 71754290 IRGYSHQOWVDHJS-PWSUYJOCSA-N 266.345 0.400 0 50 CCAA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1ccc(C(N)=O)o1)C[C@@H]3C2 288383528 KKAJABQLDRWGIP-GOTDPSQWSA-N 290.319 0.874 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(O)cn1 223234584 SLQFKOWLCPLYEA-ZYHUDNBSSA-N 266.297 0.711 0 50 CCAA Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC[C@@H](C)N 178662532 CGXDMBMBSUJOFD-MRVPVSSYSA-N 280.372 0.843 0 50 CCAA CC(C)(C(=O)NCCc1noc(CO)n1)N1CCCC1 426623199 JISRTDQRESVYPB-UHFFFAOYSA-N 282.344 0.095 0 50 CCAA COCC1(CNC(=O)CN2CCOCC2)CCC1 331940379 XSGYZCOWJPPWBN-UHFFFAOYSA-N 256.346 0.252 0 50 CCAA CN(C(=O)CCc1ccnn1C)C1CCNCC1 97772905 RQJNFGYOCAHOKO-UHFFFAOYSA-N 250.346 0.563 0 50 CCAA O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)NC1CC1 95117655 AUHNULQEOXPZQB-NSHDSACASA-N 270.292 0.852 0 50 CCAA CCC[C@H](C)c1cn(CCc2c[nH]c(=O)[nH]c2=O)nn1 91951830 IIQBNWCIKKBENY-VIFPVBQESA-N 277.328 0.801 0 50 CCAA Cc1nn(C)c2nc(NC[C@@H](O)CN(C)C)sc12 96152896 CMAQJKLOWAEPNX-MRVPVSSYSA-N 269.374 0.673 0 50 CCAA Cc1nc(C2(NC(=O)[C@@H]3C[C@H]3C(=O)O)CCC2)no1 299752369 TXDFYXUIEVHEAE-HTQZYQBOSA-N 265.269 0.594 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cc1c[nH]c2ncccc12 299744767 PTXXVXRHYZYDAG-KOLCDFICSA-N 290.298 0.530 0 50 CCAA CCCS(=O)(=O)NC[C@H](C)NCc1cscn1 534652294 BPMVHKOXPRPZPD-VIFPVBQESA-N 277.415 0.951 0 50 CCAA CN(C)S(=O)(=O)n1cccc1Br 261494351 VNTBYVZKNDEVDK-UHFFFAOYSA-N 253.121 0.905 0 50 CCAA Cc1n[nH]c(C)c1CNC(=O)C[C@H]1CN(C)CCN1C 299788019 QUKSGTZWZQQSKF-LBPRGKRZSA-N 279.388 0.279 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)CCn1cncn1 822619936 OIQGIMNBNQSELV-NSHDSACASA-N 262.317 0.460 0 50 CCAA Cc1nn[nH]c1C(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 828247876 FCJXMBNNMXOSPM-SNVBAGLBSA-N 291.355 0.634 0 50 CCAA Cc1ncc(C(=O)NCCN2CCC[C@H](CO)C2)cn1 828711177 NGVOZKAPIQCRFH-LBPRGKRZSA-N 278.356 0.219 0 50 CCAA O=C(O)CCN1CCC(CNC(=O)c2ccon2)CC1 828196063 HPWFIIUORHTQNT-UHFFFAOYSA-N 281.312 0.591 0 50 CCAA Cc1cc(CN2CCOC[C@H]2C(N)=O)ccc1F 585117228 VMVJZBLTRITPQB-LBPRGKRZSA-N 252.289 0.820 0 50 CCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)N(C)C)cc1 585655932 QRNYBPDKHZBTEO-UHFFFAOYSA-N 299.396 0.935 0 50 CCAA CNC(=O)C[C@H]1CCN(c2ncc(F)c(OC)n2)C1 670448192 UPGVQBWHSJHEMN-MRVPVSSYSA-N 268.292 0.587 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)CCc1nc(Cl)n[nH]1 1565530126 ODOUIPIFZQBIKR-YUMQZZPRSA-N 288.735 0.311 0 50 CCAA NC(=O)NCCC(=O)N1CCC[C@H]1C1CCOCC1 408130227 UGVJCTREJVOENS-NSHDSACASA-N 269.345 0.462 0 50 CCAA NC(=O)COCCNC(=O)CCCc1cccs1 268621338 KHHRUAGMZQXKAU-UHFFFAOYSA-N 270.354 0.689 0 50 CCAA C[C@@H]1COCC[C@@H]1NC[C@H]1CCCN1S(C)(=O)=O 170619058 PIHKDPHREDFUDD-UTUOFQBUSA-N 276.402 0.425 0 50 CCAA CC[C@@H](C(=O)O)N1CCC[C@H](CS(=O)(=O)NC)C1 629507044 KSGAULHPEJTKQT-UWVGGRQHSA-N 278.374 0.111 0 50 CCAA Cn1c(CN2CCCC[C@@]2(C)C(N)=O)nnc1C1CC1 185885742 LNPZLCQOTVTWBM-AWEZNQCLSA-N 277.372 0.922 0 50 CCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCCNC1 193352878 LNGOYHJIHMZJKT-QMMMGPOBSA-N 292.792 0.412 0 50 CCAA NC[C@H](NC(=O)c1cnc(C(=O)O)cn1)C1CCCCC1 567617821 WFSKCKJDARTBIV-JTQLQIEISA-N 292.339 0.812 0 50 CCAA Cn1nncc1CC(=O)N1CCO[C@H](c2ccccc2)C1 665896256 XTRUERANNDKHBM-AWEZNQCLSA-N 286.335 0.958 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)N[C@@H](C)C1 246665395 DUELELRPMFBHOT-JBLDHEPKSA-N 253.346 0.206 0 50 CCAA CC[C@@H](C)[C@@H]1NC(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 886025659 QIRJYLMDLCIDRD-VGMNWLOBSA-N 274.342 0.140 0 50 CCAA COc1ncc(CN2C[C@H](CO)[C@@H](CO)C2)cc1Cl 1857530301 JAXFHTUDQLTIIK-GHMZBOCLSA-N 286.759 0.776 0 50 CCAA COC(=O)Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2 1547200999 GSALSCLTOWLBJB-UHFFFAOYSA-N 288.263 0.206 0 50 CCAA O=C(O)[C@H]1CCCCN1C(=O)CCCn1cncn1 136472411 PKZMHQNKDPODAV-SNVBAGLBSA-N 266.301 0.524 0 50 CCAA CCc1nc(N2C[C@@H]3CNC[C@]3(CN(C)C)C2)no1 1775980205 WUMIKCKYYATJSZ-GWCFXTLKSA-N 265.361 0.219 0 50 CCAA Cc1nnc(CN2CCN3[C@@H](C)COC[C@H]3C2)s1 1875246308 LEULPCFIJXXQQF-GXSJLCMTSA-N 268.386 0.751 0 50 CCAA COc1ccc(CC(=O)N2CC[C@H](CO)[C@H](O)C2)cc1F 521168765 JLNVVWWXELBERU-DGCLKSJQSA-N 297.326 0.579 0 50 CCAA C[C@H]1CC(=O)c2cnc(N3CCN(C)CC3)nc2C1 9287067 ZLSFFCKMKQNWPK-SNVBAGLBSA-N 260.341 0.993 0 50 CCAA CN(C)CC(=N)NOCC1CCC2(CC1)OCCO2 904438857 ZYZWWOZQBOTDQY-UHFFFAOYSA-N 271.361 0.980 0 50 CCAA Cc1cc(O)c(COC(=O)[C@H]2CCC(=O)C2)nn1 842766366 RNYANBKABGLBMB-QMMMGPOBSA-N 250.254 0.903 0 50 CCAA CN1CC[C@@H]1CNC(=O)c1ncn(C(C)(C)C)n1 928557685 VMGHYRAOEUILCQ-SECBINFHSA-N 251.334 0.467 0 50 CCAA CCn1nnc(C)c1CN1Cc2nc(C)nc(O)c2C1 931313910 QVUBXDRTNVQPMO-UHFFFAOYSA-N 274.328 0.926 0 50 CCAA O=C(CN1Cc2n[nH]cc2[C@@H]1CO)N1CCc2ccccc21 1875275215 BNUVYTTYQOZTAW-HNNXBMFYSA-N 298.346 0.848 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CCn3ccnc32)CC1 1875367181 WVJVNHUJPGCZKD-UHFFFAOYSA-N 274.324 0.654 0 50 CCAA O=C(O)C[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C2(CC2)C1 1875306120 UEBMCVSSYSLSLP-VIFPVBQESA-N 278.312 0.593 0 50 CCAA CN1CCN(Cc2cc(O)nc(C3CC3)n2)C[C@H]1CO 1774368702 ZIKDFSDGIDBHIT-LBPRGKRZSA-N 278.356 0.168 0 50 CCAA COC(=O)[C@H]1CN(C(=O)[C@H]2C[C@H](C)O[C@H](C)C2)CCO1 260129791 ZPHVIBPNAVPHGL-WRWGMCAJSA-N 285.340 0.590 0 50 CCAA Cc1ccc(F)c(S(=O)(=O)N2CCO[C@@H](CN)C2)c1 165641620 GEQIRDCSCPYFDE-JTQLQIEISA-N 288.344 0.482 0 50 CCAA CCN(Cc1[nH]cnc1C)[C@H]1CCS(=O)(=O)C1 67804685 KQNMPLDZXLUQIF-JTQLQIEISA-N 257.359 0.727 0 50 CCAA CSCCN1CCN(C(=O)CCCC(=O)O)CC1 534577279 MZLJLCMVDIKVJQ-UHFFFAOYSA-N 274.386 0.749 0 50 CCAA CCc1nc(Cl)cc(N[C@@H]2CCC(=O)NC2=O)n1 125178307 OSMFIYWNAOJONM-ZCFIWIBFSA-N 268.704 0.910 0 50 CCAA CNc1ncnc2c1cnn2C[C@H](O)C[C@H]1CCCO1 2325777304 UNECYINUCLDQJV-NXEZZACHSA-N 277.328 0.798 0 50 CCAA O=C(O)[C@H]1CNC(=O)N1C(=O)OCc1ccccc1 56864 AYSUEIZKNBGWGN-SECBINFHSA-N 264.237 0.802 0 50 CCAA CCOC(=O)C[C@]1(C)SC(NC(C)=O)=NN1C(C)=O 367846 BGQRRQSEQJFTJN-NSHDSACASA-N 287.341 0.658 0 50 CCAA CNS(=O)(=O)c1cc2c3c(cccc3c1)C(=O)NC2=O 616568 NHMBUKSMTNSDQF-UHFFFAOYSA-N 290.300 0.632 0 50 CCAA O=C(CCCC(=O)NC[C@H]1CCCO1)NC[C@H]1CCCO1 2757200 DVPYZMXIVHCJCH-CHWSQXEVSA-N 298.383 0.747 0 50 CCAA COc1ccc(Cl)cc1NC(=O)C[C@H]1NCCNC1=O 3881141 HRCYDYJEGNBXNK-SNVBAGLBSA-N 297.742 0.765 0 50 CCAA NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 7304938 QYBXSRWKMOKNOL-QMMMGPOBSA-N 274.367 0.634 0 50 CCAA CCCn1c(=O)c2c(nc3n2CC(C)=NN3)n(C)c1=O 10329752 XTVBZXXWRHZZQI-UHFFFAOYSA-N 276.300 0.108 0 50 CCAA O=C(NN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccncc1 103200036 XWLCWOURHURFHP-PHIMTYICSA-N 271.276 0.678 0 50 CCAA CC1=C(C(=O)Nc2ccc(O)cc2)Cn2nnnc2N1C 253418257 JVLZMWRSKKWOJH-UHFFFAOYSA-N 286.295 0.741 0 50 CCAA COc1cc(NCCNC(=O)c2ccncc2)ncn1 65404117 UQQPRITVNKZYLW-UHFFFAOYSA-N 273.296 0.722 0 50 CCAA COc1cc(F)c(C(=O)N[C@H](C)c2nc(=O)[nH][nH]2)c(F)c1 216331887 DUSBRZNJQRCNJL-RXMQYKEDSA-N 298.249 0.876 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)NC[C@@]2(O)CCOC2)n1 330467553 YIXYGQOMTUCTKF-YPMHNXCESA-N 267.329 0.329 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2ccc(C)nc2)N(C)C1 330537081 SVYKOFGKEIOHKR-STQMWFEESA-N 263.341 0.725 0 50 CCAA CCc1nccn1CCNC(=O)[C@@H]1NCCc2[nH]cnc21 72477105 HYLLCNZUZAYSAE-CYBMUJFWSA-N 288.355 0.172 0 50 CCAA Cc1ncccc1C(=O)N[C@]1(C(N)=O)CCCOC1 366880566 OHPUIHOWVXOOCE-CYBMUJFWSA-N 263.297 0.154 0 50 CCAA COC(=O)C[C@@H]1CN([C@H](C)c2n[nH]c(C)n2)CCO1 331235609 FLGGANIIBFVGPK-PSASIEDQSA-N 268.317 0.438 0 50 CCAA C[C@@]1(c2ccccc2)CN(C(=O)[C@@H]2COCCN2)CCO1 237367374 XJYJWZMGIOJTNL-HOCLYGCPSA-N 290.363 0.749 0 50 CCAA Cc1nc(C(=O)NC[C@@H](C)CN2CCCC2)n(C)n1 454147693 OAGREJXVKKSYQZ-SNVBAGLBSA-N 265.361 0.585 0 50 CCAA CCc1nccn1CC(=O)N[C@H](C)Cn1cccn1 220732731 RBYOMTHMALBFGO-LLVKDONJSA-N 261.329 0.847 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)NCc1cc(C)[nH]n1 426478770 MKKSTVPAJBOZMG-SNVBAGLBSA-N 265.317 0.138 0 50 CCAA Cn1cc(NC(=O)NCCSc2ncn[nH]2)cn1 96179837 OCMXZUSODNWGCS-UHFFFAOYSA-N 267.318 0.452 0 50 CCAA Cc1cnc2c(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cnn2c1 97578740 MLWISPFLIQAFQV-SECBINFHSA-N 292.320 0.078 0 50 CCAA O=C(CCCc1cn[nH]c1)NCCN1CCC[C@@H](CO)C1 97098833 BUCROBCBJBZCHR-CQSZACIVSA-N 294.399 0.553 0 50 CCAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCCN)C[C@@H](C)O1 237509683 IQAUSBJJLZFRLH-MGPQQGTHSA-N 283.416 0.826 0 50 CCAA COc1cccc(-c2nnn(CC3OCCO3)n2)c1 179686348 AUJGBYAWQMSSOE-UHFFFAOYSA-N 262.269 0.722 0 50 CCAA Cc1ccc(CN(C)CC(=O)N[C@@H]2CCNC[C@H]2O)cc1 534658111 FBKWXSYLCCXHJZ-HUUCEWRRSA-N 291.395 0.266 0 50 CCAA CC(C)[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ncnn1C 534649799 BIDZOCLGKUHGSJ-NSHDSACASA-N 290.327 0.036 0 50 CCAA Cc1cc(C)c(CC(=O)N[C@@H]2CCNC[C@H]2O)c(C)c1 534582547 UQQGFFTXFJNHHL-HUUCEWRRSA-N 276.380 0.993 0 50 CCAA O=C(NCc1cccc(F)c1)c1n[nH]c(-n2cnnc2)n1 1940194867 YKDZITLQKRALOY-UHFFFAOYSA-N 287.258 0.455 0 50 CCAA Cc1nn2cc[nH]c(=O)c2c1I 725378621 JBDFWYFHIYRKHZ-UHFFFAOYSA-N 275.049 0.936 0 50 CCAA Cc1c(C)n2c3c(O)nc(=O)n(C)c3nc2n1C[C@H](C)O 585158444 QKXWXKSVEJYIJL-LURJTMIESA-N 291.311 0.086 0 50 CCAA O=C(NCCn1cnccc1=O)OCC(F)(F)F 585138586 JEOCUBLEWUVDIA-UHFFFAOYSA-N 265.191 0.532 0 50 CCAA Cc1cc(C(=O)N2CCC(c3nc[nH]n3)CC2)nc(N)n1 584888528 BZEVPBBYMSBIDX-UHFFFAOYSA-N 287.327 0.505 0 50 CCAA CCc1nn(C)c2c(=O)n([C@@H](C)Cn3cncn3)cnc12 584894109 XUVPINUGQUHDDL-VIFPVBQESA-N 287.327 0.545 0 50 CCAA O=C(O)c1cccc(NCCN2CC[C@@H](O)C2)n1 1330198553 LIVOEEJUVDTIKK-SECBINFHSA-N 251.286 0.258 0 50 CCAA COCc1nocc1C(=O)N[C@H]1C[C@@H](N)C12CCC2 1343201745 PTWOKHIKIIOPTA-MNOVXSKESA-N 265.313 0.821 0 50 CCAA CC(C)OC[C@@H](N)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958527915 IPVMMQAXLIMDGL-FBTJUVTCSA-N 277.386 0.209 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)CCc1ccsc1 268966094 CPXTYQGCKOSRBA-JTQLQIEISA-N 269.322 0.993 0 50 CCAA CCn1ncnc1CNC(=O)N1CC[C@@H](C)[C@@H](O)C1 408309316 LULGMKRHBGSSMS-ZJUUUORDSA-N 267.333 0.210 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)CC1 188656503 CBASNWLCICLPFJ-GXTWGEPZSA-N 292.383 0.884 0 50 CCAA Cc1nc(C)c(CNC(=O)[C@@]2(C)CNCCO2)o1 638443849 VYACKFVTYNCZJQ-GFCCVEGCSA-N 253.302 0.286 0 50 CCAA Cc1nn(C)c(-n2cccn2)c1C(=O)NCC(C)(C)O 189989654 NSXMYCFRTIZUKS-UHFFFAOYSA-N 277.328 0.415 0 50 CCAA C[C@@H]1CC[C@H](Cn2nnn(-c3ccccc3)c2=O)O1 190618572 GCCARBUVJDIBAS-ZYHUDNBSSA-N 260.297 0.997 0 50 CCAA Cc1nnsc1C(=O)N[C@H](Cc1ccncc1)C(=O)O 655600428 GEIRHJOZSDWGJS-SECBINFHSA-N 292.320 0.667 0 50 CCAA NC[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@H]1C(=O)O 656854018 OBVJVEOOSHVDCG-JHJVBQTASA-N 274.320 0.792 0 50 CCAA CCCCCOCC(=O)N1[C@@H](CO)CC[C@@H]1CO 585126366 XKVLKVIPADOOHH-VXGBXAGGSA-N 259.346 0.537 0 50 CCAA N[C@@H]1C[C@H](NC(=O)Cn2ncc3cccnc32)C12CCC2 1615555426 SYFGYWOOOSULRO-NEPJUHHUSA-N 285.351 0.817 0 50 CCAA CC(C)N(C)C(=O)N1CC[C@H](N2CCCS2(=O)=O)C1 1615547522 AXPZDDPBXHVOAF-NSHDSACASA-N 289.401 0.556 0 50 CCAA O=C(NCC1CSC1)NC[C@H]1CN2CCCN1CC2 1616034656 LDBXTLONMVHCND-LBPRGKRZSA-N 284.429 0.039 0 50 CCAA Cc1ccc(CNC(=O)[C@H]2CCc3nnnn3CC2)n1C 1647558618 KLUFIQLWKYZJSI-NSHDSACASA-N 288.355 0.589 0 50 CCAA CO[C@H](C)c1nc(CS(=O)(=O)c2nc[nH]n2)cs1 1649718696 WTMDXMCNZYJXLM-ZCFIWIBFSA-N 288.354 0.943 0 50 CCAA CO[C@H]1CCCN(C(=O)c2cn(C)c(C)cc2=O)C1 1340149379 XMSXNYTXQXCXMX-NSHDSACASA-N 264.325 0.945 0 50 CCAA CN(C)c1nc(N[C@@H]2CCS(=O)(=O)C2)ncc1F 1506408482 YLAMZZBHSFCWFG-SSDOTTSWSA-N 274.321 0.281 0 50 CCAA O=C(Cn1cccc1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704345430 XUNMFSJDWFBZGD-UKRRQHHQSA-N 285.347 0.945 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCC(=O)N(C)C)C1 643854653 HHVZSBBGNOTEDR-MNOVXSKESA-N 266.345 0.650 0 50 CCAA CC[C@@H](C)N(CCO)c1nc(C)nc(N(C)C)n1 253427293 POJFVDOUOYDNTH-SECBINFHSA-N 253.350 0.843 0 50 CCAA Cc1nsnc1C(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 1775981301 CUVPIAFIADJEQL-QWRGUYRKSA-N 296.396 0.518 0 50 CCAA O=C(C1Cc2ccccc2C1)N1C[C@H]2CNC[C@@]2(CO)C1 1772712786 QETZAPAWFLRYLS-WBVHZDCISA-N 286.375 0.442 0 50 CCAA O=C1CO[C@@]2(CCN(c3ncccc3F)C2)CN1 1772810267 FKGBHABALJKTCJ-LBPRGKRZSA-N 251.261 0.316 0 50 CCAA CN1CC(=O)N2CCN(Cc3cccc(F)c3)C[C@@H]2C1=O 14743258 QJZHJDAVBRETJN-CYBMUJFWSA-N 291.326 0.311 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1Cc2ccccc2O1 225911598 UZBLPGSJXHOFIT-CYBMUJFWSA-N 292.335 0.465 0 50 CCAA O=C1CC[C@@H](N2C(=O)c3cccc(F)c3C2=O)C(=O)N1 3981215 CRAUTELYXAAAPW-MRVPVSSYSA-N 276.223 0.227 0 50 CCAA in-vitro COC[C@]1(C(N)=O)CCCN1Cc1cn(CC2CC2)nn1 643822414 SUPRJMAKTPKEET-AWEZNQCLSA-N 293.371 0.154 0 50 CCAA C[C@H]1CN(S(=O)(=O)NC[C@@H](N)c2ccccc2)CCO1 237692129 DVYQZDLPFHUCPT-WCQYABFASA-N 299.396 0.242 0 50 CCAA CCC[C@H](NC(=O)c1cn2c(n1)CCC2)c1nn[nH]n1 571525407 LRSBFXRUWOZBIN-QMMMGPOBSA-N 275.316 0.614 0 50 CCAA C[C@@H]1CN(C(=O)NCc2cnn(C)n2)C[C@@H](C2CC2)O1 805996472 LPDIWWVSMMBKFK-SKDRFNHKSA-N 279.344 0.524 0 50 CCAA O=S(=O)(Cc1ccc2nonc2c1)NC[C@H]1CCCO1 1875288418 BJJKTEQIJNJGKX-SNVBAGLBSA-N 297.336 0.821 0 50 CCAA Cn1c(C2CC2)nc2c1CCN(C(=O)C1=NNC(=O)C1)C2 1875263795 PPRRJMQKYLFGSS-UHFFFAOYSA-N 287.323 0.058 0 50 CCAA Cc1cnc(S(=O)(=O)CC(=O)NC2CCCC2)[nH]1 1875280307 RGJXNKZHWQBQOL-UHFFFAOYSA-N 271.342 0.551 0 50 CCAA COC[C@@H]1NC(=O)CCN(C[C@@H]2Cc3ccccc32)C1=O 1875310108 DOOHOSSBZGWGII-JSGCOSHPSA-N 288.347 0.690 0 50 CCAA O=C([C@@H]1CC[C@@H]2COCC[C@H]2C1)N1C[C@H](O)CO1 1875341997 SHMBMZVZSUFSSO-QCNOEVLYSA-N 255.314 0.574 0 50 CCAA O=C(NCCCN1CCOCC1)[C@H]1CCCNCC1 534666891 LYOWWSMPUXFVTP-ZDUSSCGKSA-N 269.389 0.215 0 50 CCAA COc1nc(C(=O)Nc2noc3ncccc23)nn1C 2100534032 QFOMLWUHVLNFKG-UHFFFAOYSA-N 274.240 0.612 0 50 CCAA C[C@@H]1C(=O)[C@@H]2C[C@@]3(C)CO[C@@]2([C@@H]3O)[C@@]2(C)CC[C@@]12O 2332924318 LNLIBLOQCHPJML-CHJNWCJGSA-N 266.337 0.893 0 50 CCAA O=C(CNc1n[nH]c(=S)[nH]c1=O)OCc1ccccc1 139192 WMSNTBKZKIFHHK-UHFFFAOYSA-N 292.320 0.983 0 50 CCAA Cn1nnnc1SCC(=O)NCC(=O)c1ccccc1 523428 CPCXQOHPVRVBDC-UHFFFAOYSA-N 291.336 0.301 0 50 CCAA CCCn1nc(N(CC(=O)NC)S(C)(=O)=O)cc1C 2356146761 ULFQWLBOIAKEEX-UHFFFAOYSA-N 288.373 0.114 0 50 CCAA O=c1[nH]c2ccc(S(=O)(=O)N3CCCC3)cc2[nH]c1=O 2719006 MNQLMIIWOVBYIW-UHFFFAOYSA-N 295.320 0.001 0 50 CCAA Cc1occc1-c1nnc(SCC(N)=O)n1C 4947987 SEIKPOQXFRTWFN-UHFFFAOYSA-N 252.299 0.961 0 50 CCAA CCc1noc2ncc(S(=O)(=O)N(C)[C@@H](C)CN)cc12 225426250 DYLFGYWICFJGBA-QMMMGPOBSA-N 298.368 0.753 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cnn(C(C)C)c2C)C1 344976355 QGYUTRNKHAICJR-JQWIXIFHSA-N 294.355 0.487 0 50 CCAA O=S(=O)(C[C@H]1CCCO1)N1CCN2CCC[C@H]2C1 247479284 IZLHPCVBWSHTJT-NWDGAFQWSA-N 274.386 0.275 0 50 CCAA CN(Cc1ncc[nH]1)C(=O)CCN1CCCCO1 67640990 ZKUBWPFYSCZWSX-UHFFFAOYSA-N 252.318 0.786 0 50 CCAA CC(C)(C)CN1CCC[C@](O)(CN2CCOCC2)C1=O 20168252 RGPMILKHGLSYOW-HNNXBMFYSA-N 284.400 0.718 0 50 CCAA O=C(O)C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)CCO1 117636756 DSJCOZHWSPRCQI-FIQHERPVSA-N 265.309 0.901 0 50 CCAA Cn1cc(S(=O)(=O)NCC2(C(=O)O)CCCC2)cn1 137832516 FRIKSIASRLLXOJ-UHFFFAOYSA-N 287.341 0.343 0 50 CCAA C[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 252463402 KXXXXWSTXRLURV-HBNTYKKESA-N 290.385 0.288 0 50 CCAA Cn1cc2c(n1)CCC[C@@H]2NS(=O)(=O)c1ccnn1C 282397598 BUKFOFDZQFBBIB-NSHDSACASA-N 295.368 0.510 0 50 CCAA COCC[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 219074977 IYBKQCWGJZKLKB-LLVKDONJSA-N 253.302 0.147 0 50 CCAA Cc1cscc1C(=O)N1C[C@H](N(C)CC(=O)O)[C@H](O)C1 332668277 QCYVQGWINGFLPF-WDEREUQCSA-N 298.364 0.258 0 50 CCAA C[C@H](NC(=O)c1c[nH]nn1)c1nc(C(C)(C)C)no1 174663241 CVABCDKXJWLJFW-LURJTMIESA-N 264.289 0.976 0 50 CCAA C[C@H]1CCCN(Cc2nc(N)nc(N(C)C)n2)[C@H]1CCO 521398735 OFEKFNOVALGTOY-QWRGUYRKSA-N 294.403 0.503 0 50 CCAA C[C@H]1CN(C[C@@H]2CCCN2C(=O)CNC2CC2)C[C@@H](C)O1 237615427 XBMATRVRGHEEFX-GUTXKFCHSA-N 295.427 0.839 0 50 CCAA CN(Cc1ccccc1)c1cnn(CCO)c(=O)c1 72146747 LWUYHAUDJGJUPT-UHFFFAOYSA-N 259.309 0.872 0 50 CCAA CC[C@@H](NC(=O)c1cc(=O)[nH]c(=O)[nH]1)c1cccc(C)n1 215460317 XPYAUFPYZOCIJE-SECBINFHSA-N 288.307 0.648 0 50 CCAA CN(C)C[C@@]1(O)CCCN(C(=O)c2ncccc2O)C1 72129665 KTWJWGAAAFFCPM-AWEZNQCLSA-N 279.340 0.316 0 50 CCAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2cn3cccnc3n2)C1 284681702 RTPSJPAMQLUULG-NEPJUHHUSA-N 299.338 0.809 0 50 CCAA Cc1cnc(N2CC[C@@H](N(C)C)C2)nc1-c1ncnn1C 82039316 JGMYUXBLOAXJID-LLVKDONJSA-N 287.371 0.721 0 50 CCAA CCO[C@H]1CN(C(=O)C(C)(C)n2cccc2)C[C@@H]1O 220516466 SPLLRYPAGBMKKT-RYUDHWBXSA-N 266.341 0.831 0 50 CCAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)Cn1cnnn1 221405438 YXODROULKAFMSQ-UHFFFAOYSA-N 288.286 0.952 0 50 CCAA CCN(CC)CCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O 239331319 KMCWJCUNYIWRDS-MCYUEQNJSA-N 294.351 0.195 0 50 CCAA Cc1c[nH]c(CN2CCCN(C)C3(CCNCC3)C2)n1 97495092 XGLGZUJYBNPQOK-UHFFFAOYSA-N 277.416 0.978 0 50 CCAA COC[C@H](NS(=O)(=O)c1cnn(C)c1C)c1ccco1 293226132 FTBFNJMSWBEPMQ-JTQLQIEISA-N 299.352 0.988 0 50 CCAA Cc1nnnn1CC(=O)NC[C@@H]1COc2ccccc2C1 91966442 YBNVOFAGGNDQIV-LLVKDONJSA-N 287.323 0.349 0 50 CCAA COC[C@H]1CCCN1C(=O)Cn1ccccc1=O 97425419 NUXISBFSOPTLQZ-LLVKDONJSA-N 250.298 0.486 0 50 CCAA CCCC(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076053648 PKIZRMXPKVWRFT-MNOVXSKESA-N 250.302 0.750 0 50 CCAA CS(=O)(=O)NC[C@@H]1CCCN(c2cnccn2)C1 298444745 DLPXTTDCSOONJI-JTQLQIEISA-N 270.358 0.242 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CN)CCO1 299739060 JZDYPJYCONTCGN-IJLUTSLNSA-N 291.417 0.011 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@](C)(C(=O)O)C1 299743078 JUYGERQPSSIQMC-JOYOIKCWSA-N 286.353 0.231 0 50 CCAA Cc1cccc([C@H](CNC(=O)C2(C(N)=O)CC2)N(C)C)c1 534657434 VKHQOBCQAQTQGI-ZDUSSCGKSA-N 289.379 0.979 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CC[C@@H](CN)C1 534641448 PERXYZHQPMIBJI-JTQLQIEISA-N 272.374 0.433 0 50 CCAA C[C@@]12CCCN1C(=O)[C@@H](c1ccc(O)cc1)NC2=O 828916631 JIIQPLKFKSJSKI-RISCZKNCSA-N 260.293 0.944 0 50 CCAA O=C1CC[C@H](NC2CCN(C3CCOCC3)CC2)CCN1 828305395 LATTVMCZWJMCJZ-ZDUSSCGKSA-N 295.427 0.888 0 50 CCAA CN(Cc1nncn1C)C(=O)C[C@H]1CCCOC1 584887133 IUVLSZOXNGRXKG-SNVBAGLBSA-N 252.318 0.590 0 50 CCAA CCN1CC[C@H](CN(C)C(=O)Cc2cc(O)nnc2O)C1 584891441 XBYLGYBJNFVZOE-SNVBAGLBSA-N 294.355 0.231 0 50 CCAA CC(C)OCC(=O)N1CC[C@H](N2CCN(C)CC2)C1 670451953 PNYQYMOWNJOLNF-ZDUSSCGKSA-N 269.389 0.260 0 50 CCAA CCOCC(=O)N1CCC(C(=O)N[C@H]2CCN(C)C2)CC1 670464130 CKFAZRWCECLJEG-ZDUSSCGKSA-N 297.399 0.082 0 50 CCAA O=C(N[C@@H]1C[C@@H](C(=O)O)C[C@@H]1n1ccnn1)C1CCC1 685940880 YMVJDFLOGHFCAC-MXWKQRLJSA-N 278.312 0.599 0 50 CCAA Cc1nc(CNCCN2CCCC[C@@H]2CO)n(C)c1C 952992035 YBQZCSGGHSGTJQ-CQSZACIVSA-N 280.416 0.973 0 50 CCAA Cc1occc1C(=O)N1CCCS(=O)(=O)CC1 408008651 MKFOOVURFIRNQG-UHFFFAOYSA-N 257.311 0.849 0 50 CCAA COCCO[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 189503086 GAFKHPQMZFWZNB-GFCCVEGCSA-N 267.329 0.227 0 50 CCAA Cn1cc(CC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)cn1 564334164 HMKGIBIHYMEBSH-AXFHLTTASA-N 263.297 0.427 0 50 CCAA O=C(N[C@H]1CCNC1=O)c1cc(F)c(F)c(F)c1F 585113015 XJJFASUOONUEPN-LURJTMIESA-N 276.189 0.861 0 50 CCAA O=C(CCc1cn[nH]c1)NC1CC2(CCCNC2)C1 1875290322 SLIFJSSFIRCLMS-UHFFFAOYSA-N 262.357 0.991 0 50 CCAA CCN1CCNC(=O)[C@@H]1CC(=O)Nc1cnn(C(C)C)c1 1506408471 SEGBZLPHKZEYCV-LBPRGKRZSA-N 293.371 0.613 0 50 CCAA O[C@@H]1CN(c2ncccc2-c2ncon2)C[C@H]1F 1529113804 JAOGZHXXDOWRJV-RKDXNWHRSA-N 250.233 0.651 0 50 CCAA Cc1cccc(N2CCC(CS(N)(=O)=O)CC2)n1 127958222 NRBDDWPMROGYMP-UHFFFAOYSA-N 269.370 0.895 0 50 CCAA CCNC(=O)C1(NC(=O)c2ccon2)CCCC1 239882271 DAWGUOQPAJKANB-UHFFFAOYSA-N 251.286 0.853 0 50 CCAA C[C@H](C(=O)N1CCOCC1)N1CCC[C@@H](C2OCCO2)C1 229785651 XGKUJNGZKXBNNV-CHWSQXEVSA-N 298.383 0.319 0 50 CCAA CCOC(=O)N1CCC(NC(=O)Cn2cccn2)CC1 19939187 OETGFXDMLKOTRG-UHFFFAOYSA-N 280.328 0.620 0 50 CCAA NC[C@H](C(=O)Nc1ccn([C@@H]2CCNC2)n1)c1ccccc1 328617700 DACIBSUPVXHXLT-KGLIPLIRSA-N 299.378 1.099 0 50 CCAA CN(C)c1nccc(N2CCO[C@@H](Cn3cccn3)C2)n1 607145290 PUHRYKMPAKWYRZ-GFCCVEGCSA-N 288.355 0.645 0 50 CCAA CNC[C@H]1CCN(C(=O)c2ccc3c(c2)nc(O)n3C)C1 521394627 QJWAHRMQEGAKLC-SNVBAGLBSA-N 288.351 0.960 0 50 CCAA Cc1cn2ccc(C(=O)NC[C@@H]3CN(C)CCO3)cc2n1 635453776 RJDXYKFFMIHUQR-CYBMUJFWSA-N 288.351 0.703 0 50 CCAA COc1cccc(NC(=O)N2CCN(C[C@@H](C)O)CC2)n1 667332490 BRYRFLWCDPJELG-LLVKDONJSA-N 294.355 0.621 0 50 CCAA O=C(NC1CC1)[C@H]1CCCN1c1ncnc2nc[nH]c12 134896333 REIIAZDEJXARDG-SECBINFHSA-N 272.312 0.600 0 50 CCAA O=C1[C@H](NC(=O)C2(C(=O)O)CC2)CCN1c1ccccc1 154880023 WQHVDCOGLFFCTQ-LLVKDONJSA-N 288.303 0.773 0 50 CCAA O=C(Nc1cnns1)N[C@H]1CCN(CC(F)F)C1 931001008 XVONJCJMIVIDTI-LURJTMIESA-N 277.300 0.999 0 50 CCAA Cc1nc(O)c2c(n1)CN(C[C@@](C)(O)C(F)F)C2 931311579 JXZLSVWEUGPQTM-LLVKDONJSA-N 259.256 0.822 0 50 CCAA Cn1cc(CN2Cc3ccccc3C[C@@H]2C(=O)O)nn1 236110708 GFVXCRRFNKFLPD-CYBMUJFWSA-N 272.308 0.827 0 50 CCAA COc1ccc(CCCCN=c2[nH]c(=N)[nH]c(=N)[nH]2)cc1 1875268516 YXIRCIMCPZTTJG-UHFFFAOYSA-N 288.355 0.562 0 50 CCAA N=c1[nH]c2c(c(=N)[nH]1)CN(C(=O)c1cccc(O)c1)CC2 1875342735 FJYZKRHCRAVYMR-UHFFFAOYSA-N 285.307 0.206 0 50 CCAA O=C(c1ccc(-c2nn[nH]n2)cn1)N1CCC2(CC2)C1 1875313521 OSNQZVYQZYCXTA-UHFFFAOYSA-N 270.296 0.888 0 50 CCAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2O)CC1 1875365431 OVOIJGYKSGAWKZ-CHWSQXEVSA-N 280.368 0.831 0 50 CCAA N[C@H]1CC[C@@H](C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 1771855907 JBSWSQQINLGISM-WUHRBBMRSA-N 279.384 0.631 0 50 CCAA CNc1nc(C)cc(C(=O)N[C@@H](C)c2ncon2)n1 253418185 HSDRUMQYMDZNDV-ZETCQYMHSA-N 262.273 0.701 0 50 CCAA C[C@@H]1CO[C@H](CO)CN1C(=O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 253618295 VFUGLSXGBAAZCJ-XNQJJRNTSA-N 265.353 0.887 0 50 CCAA CC(C)N(CCN1C[C@H](C)O[C@@H](C)C1)CC(N)=O 408523417 JWONJEBHGZWZEE-RYUDHWBXSA-N 257.378 0.291 0 50 CCAA C[C@@H](CC(=O)N1CCC[C@@](O)(C(N)=O)C1)C(C)(C)C 388966044 ULHAMOZKBQPKBN-HZMBPMFUSA-N 270.373 0.898 0 50 CCAA Cc1n[nH]c(C)c1CCN[C@H](C)CS(C)(=O)=O 821381968 ZNLRPLBIBIWMOK-MRVPVSSYSA-N 259.375 0.592 0 50 CCAA COC(=O)CN(c1ccccc1F)S(C)(=O)=O 379498 AQXUKWRLXHEKPT-UHFFFAOYSA-N 261.274 0.765 0 50 CCAA COc1cc([C@@]2(C)NC(=O)NC2=O)cc(OC)c1OC 394005 APKQJCVBKQBNRG-CYBMUJFWSA-N 280.280 0.767 0 50 CCAA CC(C)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 4520347 SVVYOOFUPCMNNP-UHFFFAOYSA-N 270.310 0.704 0 50 CCAA O=S(=O)(N[C@@H]1COc2ccccc2C1)N1CCOCC1 55263685 OMHULYGNTPRQQZ-LBPRGKRZSA-N 298.364 0.157 0 50 CCAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1CC1(C)CCN(C)CC1 67473057 SDCJLIIELSFSCX-KGLIPLIRSA-N 296.459 0.645 0 50 CCAA O=C1CCC2(CCN1)CCN(C(=O)c1cnc[nH]1)CC2 67473257 SRHUFJJZCQEALP-UHFFFAOYSA-N 276.340 0.932 0 50 CCAA Cn1nc(I)c2c(O)ncnc21 307651428 LWRNXILAHVZVPS-UHFFFAOYSA-N 276.037 0.674 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1COCCO1 252431559 LKQAKFJOUMNITL-FIQHERPVSA-N 283.324 0.646 0 50 CCAA COc1ccc(CC(=O)O[C@@H]2CCN(C(C)=O)C2)nc1 328596581 DWMYNTMVNLRZIJ-CYBMUJFWSA-N 278.308 0.797 0 50 CCAA CCC[C@@H](C(=O)N1CCc2c(ncn(C)c2=O)C1)N(C)C 328641389 XVLVANWXQFGLCF-ZDUSSCGKSA-N 292.383 0.395 0 50 CCAA Cc1nonc1C[C@H](NC(=O)OC(C)(C)C)C(=O)O 253180282 DBDCZIRMICENLK-QMMMGPOBSA-N 271.273 0.898 0 50 CCAA CCO[C@@H](C)C(=O)N1CCO[C@@H](CN(C)CC(=N)O)C1 328634398 MTQLXHRXKNUSJV-QWRGUYRKSA-N 287.360 0.106 0 50 CCAA Cc1nc[nH]c1C(=O)N1CCC[C@](O)(CN(C)C)C1 72168881 KVENEKDWUUYPCH-ZDUSSCGKSA-N 266.345 0.247 0 50 CCAA O=C1CCCCN1[C@@H]1CCCN(C(=O)C2(O)CCC2)C1 364318585 SUDYUBZHQJSOBP-GFCCVEGCSA-N 280.368 0.905 0 50 CCAA N=c1nc(-n2cccn2)cc(N2CC(F)(F)C[C@H]2CO)[nH]1 368718286 GKYGBWBHSYHIFB-QMMMGPOBSA-N 296.281 0.281 0 50 CCAA C=CC(=O)NCCC(=O)N[C@H]1CCN(C2CC2)C1 490623787 KYNXDVGIXUUTQW-JTQLQIEISA-N 251.330 0.032 0 50 CCAA O[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(c2cncc(-n4cccn4)n2)[C@H]31 333275578 HYFCDKPTPVILKG-LYEQHPFYSA-N 283.335 0.868 0 50 CCAA Cn1nnnc1SCCNC(=O)[C@H](O)C1CCCCC1 215516848 OTEGPBMZYLSKIY-SNVBAGLBSA-N 299.400 0.360 0 50 CCAA Cc1ccc(N2CC[C@H](C(=O)N3CC[C@@H](N)C3)C2=O)cc1 132699435 FASWWUGBENMMPE-TZMCWYRMSA-N 287.363 0.908 0 50 CCAA C[C@@H](NC(=O)CNC(N)=O)c1ccc2c(c1)OCCCO2 223234444 MXGHOXIHLQPYAN-SECBINFHSA-N 293.323 0.693 0 50 CCAA Cc1ccn2c(C(=O)N(C)C[C@@H]3CCOC3)nnc2n1 426667316 FRASOBDJWMVJQS-JTQLQIEISA-N 275.312 0.541 0 50 CCAA O=C(Cn1ccnn1)N[C@@H]1COC2(CCCCC2)C1 426412202 GZHJBCGCFYKQGQ-NSHDSACASA-N 264.329 0.886 0 50 CCAA C[C@H](c1cccnc1)N(C)Cc1[nH]c(=O)[nH]c1C(=O)O 97288905 DJDQYZWLTKNXSJ-MRVPVSSYSA-N 276.296 0.989 0 50 CCAA O=C(NCC(=O)N1CCCC1)[C@@H](O)c1ccccc1 179660442 ODTSFHQOVOHFRE-ZDUSSCGKSA-N 262.309 0.459 0 50 CCAA CN(C)[C@H]1CN(Cc2ccc(OCC(=O)O)cc2)C[C@@H]1O 97717223 BKUKFKYPJMLKOM-KBPBESRZSA-N 294.351 0.257 0 50 CCAA C[C@H](CN1CCOCC1)C(=O)NCCc1cscn1 252502627 URXWAZTWGUCDKW-LLVKDONJSA-N 283.397 0.770 0 50 CCAA CCn1nncc1CN1C[C@@H](C)O[C@@H](c2nc(C)no2)C1 625914050 YUXBYRGFBOHLNT-BXKDBHETSA-N 292.343 0.951 0 50 CCAA CCOCCN1CCCN(C)C2(CCNCC2)C1 534644119 ZILWGLBZUBMRSU-UHFFFAOYSA-N 255.406 0.783 0 50 CCAA O=C(NCc1noc([C@@H]2CCCO2)n1)c1ncccc1O 534588820 CYQLCWQQIZSCFH-VIFPVBQESA-N 290.279 0.952 0 50 CCAA CCn1nc(C(C)C)cc1C(=O)NCc1nc(O)n[nH]1 359275100 PWTNKOOJNHLNNR-UHFFFAOYSA-N 278.316 0.780 0 50 CCAA CCn1cc(S(=O)(=O)NC[C@H](C)n2cc(C)cn2)cn1 534658088 WCFFUFDSORURGV-NSHDSACASA-N 297.384 0.947 0 50 CCAA O=C(Cn1nc2ccccc2n1)NCC[C@H]1CCOC1 534632384 JMZGUFJRHCYPFE-NSHDSACASA-N 274.324 0.974 0 50 CCAA CC[C@H](NC(=O)C1(C)COC1)c1ncnn1CC 534590264 NTJIOFQBQISHRP-VIFPVBQESA-N 252.318 0.902 0 50 CCAA CN1CCN(CC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1=O 299778376 PNIJYKSDSDFUGU-LLVKDONJSA-N 291.355 0.483 0 50 CCAA Cc1nnnn1CCC(=O)NCc1cc(C(C)(C)C)n[nH]1 299770851 ROQLWLQXFRUXNR-UHFFFAOYSA-N 291.359 0.709 0 50 CCAA CC(C)CS(=O)(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 821387341 YXUQKRBSQYPIIS-STQMWFEESA-N 290.429 0.503 0 50 CCAA COCCCn1cnnc1CN[C@H]1CCCOC1 824396855 DQGBIXILLDLURD-NSHDSACASA-N 254.334 0.583 0 50 CCAA O=C1CC[C@@H](CN2CCC3(CC2)CNCCO3)O1 828258762 VPQITCRSDMPVPA-NSHDSACASA-N 254.330 0.146 0 50 CCAA OCCn1ncnc1-c1scc2c1OCCO2 828778379 MFTLXXJWASWHEQ-UHFFFAOYSA-N 253.283 0.770 0 50 CCAA O=C(Nc1cn[nH]c1)[C@@H]1CCN(c2ncc(F)cn2)C1 585134602 BRWSYNBLSVFQTM-MRVPVSSYSA-N 276.275 0.804 0 50 CCAA CCOC(=O)C(=O)CC(=O)c1c(O)cc(C)oc1=O 585152375 VYXLJYQJMUCAGR-UHFFFAOYSA-N 268.221 0.359 0 50 CCAA O=C(N[C@H]1COC[C@@H]1O)c1ccc2c(c1)CCCO2 584897819 CTWLORNIGQSOHY-RYUDHWBXSA-N 263.293 0.501 0 50 CCAA Cc1ncn(C)c1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 670450076 YZIPIBANQSAWDA-NSHDSACASA-N 271.342 0.036 0 50 CCAA NC1CCN([C@H]2CCN(C(=O)[C@@H]3CCCS3)C2)CC1 131889642 GYMXVEFBFNLURX-STQMWFEESA-N 283.441 0.906 0 50 CCAA Cn1nc2c(c1CN[C@H]1CS(=O)(=O)C1(C)C)CCCC2 685943510 SNDRMIQJLLVKOI-ZDUSSCGKSA-N 297.424 0.964 0 50 CCAA CO[C@](C)(C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)C1CC1 408238975 WFWSJCCSGSSCQW-KBPBESRZSA-N 295.339 0.002 0 50 CCAA O=C1CN(C(=O)c2cnccn2)[C@H]2CCCC[C@@H]2N1 170662526 BEJZPRMOXMWXGT-ONGXEEELSA-N 260.297 0.360 0 50 CCAA CN1CCN(C(=O)c2ccncc2)C[C@H]1c1nccn1C 276788260 VHXJKMKULGJZRC-ZDUSSCGKSA-N 285.351 0.944 0 50 CCAA CC(C)(O)CNC(=O)[C@H]1COCCN1CC1CCC1 170083343 LVGWKSGJCOSGAX-GFCCVEGCSA-N 270.373 0.374 0 50 CCAA O=C(c1cccn1C1CC1)N1CCOC[C@@H](O)C1 77284701 PWROJWNWWFAUPF-NSHDSACASA-N 250.298 0.656 0 50 CCAA O=C(O)c1cn([C@@H]2CCN(c3ncc(F)cn3)C2)nn1 644168860 JVICNGNFBMBHDC-MRVPVSSYSA-N 278.247 0.357 0 50 CCAA O=S(=O)(N[C@H]1CCCNC1)c1ccc2c(c1)OCO2 193351395 SAZCSCNXWFMZTI-VIFPVBQESA-N 284.337 0.446 0 50 CCAA C[C@H]1CCN(C)CCN1C(=O)CCn1cnccc1=O 563636920 OYQJLNLBTQLTBM-LBPRGKRZSA-N 278.356 0.186 0 50 CCAA COC[C@@H](NS(=O)(=O)c1cc(C)c(C)s1)C(=O)O 565339418 LZTNSUJZXUGCJF-MRVPVSSYSA-N 293.366 0.743 0 50 CCAA CN(Cc1ccc(OCC(=O)O)cc1)S(C)(=O)=O 569296208 PHXLOILACKYHBM-UHFFFAOYSA-N 273.310 0.541 0 50 CCAA CNS(=O)(=O)N[C@@]1(C)CCCC[C@H]1C(=O)O 1610147334 PLKIYBPVISTZEX-CBAPKCEASA-N 250.320 0.074 0 50 CCAA Cc1nc(Cl)cc(N2C[C@H](CO)C[C@H]2CO)n1 1776007153 UBTOHVPCLSPEPF-BDAKNGLRSA-N 257.721 0.618 0 50 CCAA COC[C@H](C)OC[C@H](O)CN1CCC[C@@H]1C[C@H](C)O 225550946 GMLWGPDNDMDSSC-IGQOVBAYSA-N 275.389 0.634 0 50 CCAA NCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704314973 ZYGGMAGQLCXBNR-DOMZBBRYSA-N 285.347 0.867 0 50 CCAA C[C@@]12C[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1800411378 IPRVKUZQRJAQRZ-OQPBUACISA-N 260.297 0.109 0 50 CCAA O=C1C[C@]2(CCN(C(=O)CC3=CCCC3)C2)C(=O)N1 1857691374 INLQZGQSWUBQHV-AWEZNQCLSA-N 262.309 0.752 0 50 CCAA CO[C@H]1CN(CCC(=O)O)C[C@H]1Cc1cc(C)no1 1704340867 VVDLQAWWJVBWDF-PWSUYJOCSA-N 268.313 0.947 0 50 CCAA CC1(C)CCC[C@H]1C(=O)N[C@H]1CCC(=O)NC1=O 229009251 VPJGBUGEPOEHFV-IUCAKERBSA-N 252.314 0.734 0 50 CCAA CC1CCN(CC(=O)N2C[C@@H]3CCCN3C(=O)[C@@H]2C)CC1 1772702284 JJCIWHHQVODIOW-KBPBESRZSA-N 293.411 0.940 0 50 CCAA OCc1csc(N2CCC([C@@H](O)CO)CC2)n1 1772708812 KLMJGCYCYPIDGR-JTQLQIEISA-N 258.343 0.205 0 50 CCAA O=C(NCCCn1ccnc1)[C@H]1CC2CCN1CC2 1775984180 JBTHOVIMWBKWKD-CYBMUJFWSA-N 262.357 0.874 0 50 CCAA O=C(c1ccc(F)cc1)N1C[C@H]2[C@H](C1)C2(CO)CO 1772712992 YCHPEPMFOVDPOG-RYUDHWBXSA-N 265.284 0.499 0 50 CCAA Nc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1 18227514 CCDHGZROPTVSPY-UHFFFAOYSA-N 280.309 0.354 0 50 CCAA N=c1[nH]c2cc(C(=O)N3CCC[C@H]3C(N)=O)ccc2s1 1857739491 UDUDXHCLSAKOPY-VIFPVBQESA-N 290.348 0.799 0 50 CCAA NC(=O)[C@H]1CN(C(=O)CC[C@H](N)c2ccccc2)CCO1 237921319 JDFWERMYYLXJRZ-QWHCGFSZSA-N 291.351 0.179 0 50 CCAA Cc1cc(C(=O)N2CCC[C@H](N)C2)ccc1S(N)(=O)=O 158362443 ZXTMORUMPGNRAP-NSHDSACASA-N 297.380 0.206 0 50 CCAA COC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12 3324802 IRYUCIDSGYSPMT-UHFFFAOYSA-N 260.249 0.431 0 50 CCAA C[C@H]1CC2(CCCC2)CN1C(=O)C[C@H](N)C(=O)O 1875287581 PPBWOAIMQHBRDW-UWVGGRQHSA-N 254.330 0.970 0 50 CCAA Cn1cc(C(=O)N2C[C@@H](N)[C@H](N)C2)c2cccc(Cl)c21 1875301133 BENVKWGLPYGWOB-VXGBXAGGSA-N 292.770 0.942 0 50 CCAA CN(C(=O)c1cocn1)C1CN(C(=O)c2cocn2)C1 953881709 UADMYBIUZPNNIQ-UHFFFAOYSA-N 276.252 0.259 0 50 CCAA O=C(c1cncc(F)c1)N1CCC[C@H](OCCO)C1 178683850 OGJSXJLURDYYHS-LBPRGKRZSA-N 268.288 0.834 0 50 CCAA O=C(CN1CCC[C@H]1C(=O)NC1CC1)Nc1nccs1 193966198 CPLHXRMAPDAVEH-JTQLQIEISA-N 294.380 0.825 0 50 CCAA O=C(C[C@@]1(O)CCCNC1)NCC[C@@H]1CCCCO1 888096644 NQEROOPZAWTGEB-JSGCOSHPSA-N 270.373 0.566 0 50 CCAA Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 50542 MEDOHCUNFJVPGQ-NEPJUHHUSA-N 276.336 0.845 0 50 CCAA COc1cc(CNC[C@@H]2CCCO2)ccc1OCC(N)=O 576462 YEIVQSLKHHTXFG-LBPRGKRZSA-N 294.351 0.828 0 50 CCAA O=C(O)CCP(CCC(=O)O)CCC(=O)O 2517013 PZBFGYYEXUXCOF-UHFFFAOYSA-N 250.187 0.892 0 50 CCAA in-vitro CCOc1ccccc1C(=O)N1CCN(C)[C@H](C(=O)O)C1 67789992 KPOVVIYWCRLZEM-LBPRGKRZSA-N 292.335 0.926 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)Cc1ccccc1 65384991 DPXRFHZVOOMXHT-QWHCGFSZSA-N 277.320 0.754 0 50 CCAA O=C(O)CN(C(=O)[C@@H]1CC[C@H](C(=O)O)O1)c1ccccc1 252482569 DJDZJBBMSMCOGE-WDEREUQCSA-N 293.275 0.736 0 50 CCAA Cc1csc(NCCN=c2nc(C)[nH]s2)n1 328599164 QCULDISWGDVCTE-UHFFFAOYSA-N 255.372 1.557 0 50 CCAA Cn1ccnc1CN(C(=O)c1nc2ncccn2n1)C1CC1 216202442 LDLCPNHPHVOWAA-UHFFFAOYSA-N 297.322 0.663 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)NCc1c(C)n[nH]c1C 215722307 VUAWNZAXXZQGFJ-LBPRGKRZSA-N 298.412 0.901 0 50 CCAA Nc1ncc(Cl)cc1S(=O)(=O)N1CCC[C@H](O)C1 154229429 UIPIWFFCYPJPCZ-QMMMGPOBSA-N 291.760 0.463 0 50 CCAA COCc1cc(NC(=O)N2CC(N(C)C)C2)ncn1 332416263 CAEWPRUAJSUOMO-UHFFFAOYSA-N 265.317 0.401 0 50 CCAA C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCN2C)C(=O)O 262696067 HXYWQJPTBWVIQT-QMMMGPOBSA-N 291.307 0.668 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CC(C)(C)O)C1 332673066 RDEKWRBWOLIFDB-STQMWFEESA-N 284.400 0.859 0 50 CCAA C[C@H](N)[C@H]1CCCN(C(=O)CN2CCCCC2=O)C1 156436622 RBQAHGOIYKURDD-RYUDHWBXSA-N 267.373 0.585 0 50 CCAA COc1cncnc1NC(=O)N1CC[C@@](C)(C(=O)O)C1 263118306 WMNOZCRUONZYNN-GFCCVEGCSA-N 280.284 0.814 0 50 CCAA COC[C@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)CCO1 369618858 NFHSMVURCNRSJB-LLVKDONJSA-N 299.371 0.054 0 50 CCAA CNC[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 237173150 RNGCSZNATFOLTQ-STQMWFEESA-N 253.390 0.929 0 50 CCAA O=C(NC[C@H]1CNCCO1)c1scnc1C1CC1 520796518 QXCSMFIMUGJBAR-SECBINFHSA-N 267.354 0.739 0 50 CCAA C[C@H](Cn1cccn1)NC(=O)COc1cccnc1 219403658 XGQKZPFBOFBIAW-LLVKDONJSA-N 260.297 0.862 0 50 CCAA Cc1c(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)nnn1C 262406791 OVZOIESREZZXDX-MXWKQRLJSA-N 292.339 0.981 0 50 CCAA Cn1cc(-c2cncc(C(=O)NCC(=O)O)c2)cn1 378177968 YUXFBHJZNISHHZ-UHFFFAOYSA-N 260.253 0.297 0 50 CCAA CCCc1cc(C(=O)NC[C@@]2(O)CCNC2)ccn1 72151617 XHJWPOVHEXOFAP-CQSZACIVSA-N 263.341 0.488 0 50 CCAA CCc1nnc(N2C[C@@H](C)[C@H](C(N)=O)C2)nc1CC 284512730 DXOTURXLIFHKSU-RKDXNWHRSA-N 263.345 0.554 0 50 CCAA Cc1cc(C(=O)N2CCC3(CCN(C)CC3)C2)nc(N)n1 220712105 BKABUJKVUVDGLQ-UHFFFAOYSA-N 289.383 0.925 0 50 CCAA O=C1C[C@]2(CCN(c3nc(-c4ccccc4)no3)C2)C(=O)N1 82115177 LUNHNTKGPOKSLV-HNNXBMFYSA-N 298.302 0.980 0 50 CCAA Cn1cnnc1CCNC(=O)NCC1(O)CCCCC1 426493993 JFUJHBJWPIVSOC-UHFFFAOYSA-N 281.360 0.352 0 50 CCAA CC[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(C)C2=O)CCO1 528022429 RYEXNFNQHXQVAB-QJPTWQEYSA-N 283.372 0.864 0 50 CCAA CC[C@H](C)N(CC(=O)O)CC(=O)N1CCO[C@@H](C)C1 224893045 GBYUERRCKUDTMG-QWRGUYRKSA-N 272.345 0.419 0 50 CCAA CCN(Cc1cnn(CC)c1)C(=O)NCCC(N)=O 426433628 JTICBOBZBDRGKD-UHFFFAOYSA-N 267.333 0.310 0 50 CCAA Cc1nnc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)o1 92066870 BYEMZAWHSCVDSJ-SECBINFHSA-N 280.328 0.641 0 50 CCAA CN1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 91644787 MFRWTEZAQATIMP-NSHDSACASA-N 260.345 0.869 0 50 CCAA COCCCN(C)c1cc([C@H]2C[C@@H](N)C2)nc(N)n1 243901759 BDPMQTJXKATEGX-AOOOYVTPSA-N 265.361 0.736 0 50 CCAA Cc1cc(C)c(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)[nH]1 299744192 NVMPOESRGMMAHO-MNOVXSKESA-N 276.340 0.870 0 50 CCAA COc1ccccc1CCC(=O)NCCc1nc(N)n[nH]1 534659501 BDQNCVVWABJEKS-UHFFFAOYSA-N 289.339 0.687 0 50 CCAA O=C(CCCN1CCOCC1)N[C@@H]1CCc2c[nH]nc2C1 828015088 PLRLKYVSQNHGEJ-CYBMUJFWSA-N 292.383 0.496 0 50 CCAA CCCOC[C@H]1CCN(C(=O)Cn2nc(C)ccc2=O)C1 584887086 PFBYLQWDYCSGSP-ZDUSSCGKSA-N 293.367 0.827 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)[C@H](C)Cn1cncn1 827628032 LBYIDZFFYKDUNV-GFCCVEGCSA-N 288.355 0.268 0 50 CCAA CCCc1nc(N2CCN(Cc3nc[nH]n3)CC2)no1 670452583 NYXCUAMDEMASRB-UHFFFAOYSA-N 277.332 0.462 0 50 CCAA C[C@@H]1CN(C(=O)c2cc(O)n(C)n2)Cc2cncnc21 1412506792 JEQRZOGVYPQDRO-MRVPVSSYSA-N 273.296 0.675 0 50 CCAA COCCC(=O)N1CCC2(CC1)CO[C@H](CN)C2 1342613961 HAFCFHXUTIHIGV-NSHDSACASA-N 256.346 0.379 0 50 CCAA CCCC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 132177988 ALZCMSODPXXBAZ-STQMWFEESA-N 281.400 0.893 0 50 CCAA CC(C)OC1CN(S(=O)(=O)c2cccnc2)C1 874435615 ZJBOJCGODBDKQP-UHFFFAOYSA-N 256.327 0.880 0 50 CCAA O=C(NC[C@H]1CCCN(C(=O)CCO)C1)C1CCC1 952972453 FNHMHSYWGMJFNX-LLVKDONJSA-N 268.357 0.524 0 50 CCAA C[C@H]1C[C@H](C)CN(C(=O)c2nc(O)nc(O)c2N)C1 408236690 QBWQPHHEORMMFF-BQBZGAKWSA-N 266.301 0.588 0 50 CCAA CC(=O)NC[C@H]1CN(c2nc3ccccc3[nH]2)CCO1 170591112 MDVGTGQJVABGRX-NSHDSACASA-N 274.324 0.904 0 50 CCAA C[C@H](Cn1cncn1)C(=O)N1CC(c2ccccn2)C1 952967123 JLLPPSZLBGRFNP-LLVKDONJSA-N 271.324 0.935 0 50 CCAA Cc1n[nH]c(SCC(=O)NCc2cnn(C)c2C)n1 270357362 FMFBXINOZGBWKD-UHFFFAOYSA-N 280.357 0.564 0 50 CCAA CN(CCCN)C(=O)c1cc(-n2ccnc2)ccc1O 637854794 LAIIVRCJCKMSHJ-UHFFFAOYSA-N 274.324 0.999 0 50 CCAA C[C@@H]1CCN(C(=O)NCCN2CCOCC2(C)C)[C@H]1CO 190506866 IQHHMQXKGQQRIP-OLZOCXBDSA-N 299.415 0.510 0 50 CCAA Cc1noc(C)c1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1 567172336 JKCJXUKSDUBSBW-VIFPVBQESA-N 290.327 0.810 0 50 CCAA CC(C)O[C@]1(Cn2cncc(F)c2=O)CCOC1 657262527 VVCKKWQAOGRSQM-LBPRGKRZSA-N 256.277 0.967 0 50 CCAA COC1CC(CCNC(=O)N[C@H]2CC(=O)N(C)C2)C1 660848081 MAUCIEHHDNYBJC-YVNMAJEFSA-N 269.345 0.331 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2nonc2C)C1 794525389 ZJYKVCAIKVAYIZ-RYUDHWBXSA-N 294.355 0.703 0 50 CCAA C[C@@](Cn1cnc2ccccc21)(NS(C)(=O)=O)C(=O)O 1616035137 RRKZVYMGGRCNKQ-LBPRGKRZSA-N 297.336 0.429 0 50 CCAA CCc1c(C)noc1NC(=O)C[C@H]1C(=O)N(C)C(=O)N1C 1506425705 FXYYZFYQNFFSNK-VIFPVBQESA-N 294.311 0.766 0 50 CCAA C[C@@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)Cc1ccon1 424388518 HFQWVFXYIFPLAK-BDAKNGLRSA-N 288.325 0.690 0 50 CCAA Cc1cc(C(=O)O)nc(N[C@@H]2CCS(=O)(=O)C2)n1 231947042 GAPMPOUIWXYSSA-SSDOTTSWSA-N 271.298 0.082 0 50 CCAA CC[C@H]1C[C@@H](O)CCN1C(=O)C1(OC)CCNCC1 1772708942 FIPPTDOKCRWLLF-RYUDHWBXSA-N 270.373 0.517 0 50 CCAA O=C([C@@H]1CCCNC1)N1CC[C@](O)(C(F)(F)F)C1 161817959 DPLRXBSMHYGNNP-PSASIEDQSA-N 266.263 0.512 0 50 CCAA CCn1nc(C)cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1 1857712318 IRTFQUOLSDEJKA-AVGNSLFASA-N 292.383 0.803 0 50 CCAA Cn1nnc2c1C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)CC2 562053753 JIMIRZCIIUGDPI-JTQLQIEISA-N 299.334 0.658 0 50 CCAA N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)Cc1noc2ccccc12 250508809 NJYWNBRRNLBBSI-FLCCKXIQSA-N 287.319 0.601 0 50 CCAA CCCn1cc(C(=O)N2CCOC[C@H]2CC(=O)O)cn1 263282597 JYJWZRXQRJZJRU-LLVKDONJSA-N 281.312 0.609 0 50 CCAA O=C(O)c1cnc(C(=O)N[C@H]2CCCC[C@@H]2O)cn1 263458860 VENGLRIAUIMIHA-XVKPBYJWSA-N 265.269 0.208 0 50 CCAA CCn1nncc1C(=O)NCc1ccc([C@@H](C)O)c(C)n1 815901227 IKSBQVDTACOTNG-SNVBAGLBSA-N 289.339 0.985 0 50 CCAA CN1CC2(CN(C(=O)c3c[nH]c4cccnc34)C2)OC1=O 857291200 VTAXQOYHIQAUGL-UHFFFAOYSA-N 286.291 0.840 0 50 CCAA CC(C)CN1CCC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1 952877758 VBNCRMMSDAHYLZ-AWEZNQCLSA-N 293.411 0.940 0 50 CCAA CC1(C(=O)NC[C@@]2(C)CCCN2)CC(C(=O)O)C1 1875276704 RHIDFGPIOSUBPJ-UTVJUBTNSA-N 254.330 0.746 0 50 CCAA N[C@H](CN1CCCCC1)C(=O)N1CC[C@@]2(CCNC2)C1 888096411 FVHVOWUDEIYMJH-UKRRQHHQSA-N 280.416 0.012 0 50 CCAA CN1C[C@H](C(=O)NCc2cn(C)cn2)c2ccccc2C1=O 890107616 NDNWGBMFGQFTEK-AWEZNQCLSA-N 298.346 0.906 0 50 CCAA CCn1ncc(CNC(=O)[C@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)n1 1775960786 IVOHWYMNZFLZNC-DMWPJOQESA-N 263.345 0.288 0 50 CCAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H]1CN 237614573 CNZLAUQABNHXJC-LLVKDONJSA-N 296.392 0.962 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@H]1CO 189172480 PQONNQMZOBEEAH-PWSUYJOCSA-N 297.376 0.870 0 50 CCAA C[C@@H](N)[C@H]1CCCCN1C(=O)CCn1ccccc1=O 648048913 HIPRBJOGTIMRLM-CHWSQXEVSA-N 277.368 0.967 0 50 CCAA CC(C)n1ncc(C(=O)N[C@H]2CCCNC2=O)c1N 757922948 FJHUPTMRSFBZIW-VIFPVBQESA-N 265.317 0.055 0 50 CCAA COc1cccc(CN2CCO[C@@H](c3nnnn3C)C2)n1 2100557166 XPYKALCSFNKFBE-LLVKDONJSA-N 290.327 0.187 0 50 CCAA O=C([C@@H]1Cc2ccccc2O1)N1CCn2nccc2[C@H]1CO 2325810966 TYCSZUXEVPDFAK-HIFRSBDPSA-N 299.330 0.762 0 50 CCAA O=C(O)C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 224248 IXNULTKZCDKNME-UHFFFAOYSA-N 250.254 0.312 0 50 CCAA O=C(CCN1CCCCCCC1)NC[C@H](O)CO 55325741 VMFDDNHHHCISAO-LBPRGKRZSA-N 258.362 0.112 0 50 CCAA O=C([C@H](O)CCc1ccccc1)N1C[C@@H](F)C[C@@H]1CO 348792585 BKHTXSYSJQRDPU-BFHYXJOUSA-N 281.327 0.911 0 50 CCAA CCCc1ncncc1C(=O)N1CCN(C)[C@H](C(=O)O)C1 67559130 HOXYWQIPCDCSET-LBPRGKRZSA-N 292.339 0.270 0 50 CCAA COc1ccc(-n2cc(CCO)cn2)cc1C(N)=O 65370154 HJKIGCODUYKCNY-UHFFFAOYSA-N 261.281 0.515 0 50 CCAA C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(C)C(=O)C1 119327063 OVPYJEMGKQKEMI-SECBINFHSA-N 296.758 0.836 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCc2n[nH]cc2C1 1327628830 HURDAHVWUVAGFL-UHFFFAOYSA-N 262.313 0.377 0 50 CCAA COC[C@@H](O)CNc1nc(C)nc2c1cnn2C 72171142 LUWGMNMKKFAJOU-QMMMGPOBSA-N 251.290 0.091 0 50 CCAA c1ccc(CCN=c2[nH]ccc(=N[C@H]3CCCOC3)[nH]2)nc1 328633212 LWVQUSWFZLTHQY-AWEZNQCLSA-N 299.378 0.961 0 50 CCAA NC(=O)NCC(=O)N[C@@H]1CCCN(CC2CCCCC2)C1 72469805 MPEDSLZHMPECEB-CYBMUJFWSA-N 296.415 0.816 0 50 CCAA CC(C)CN1CCCN(C(=O)c2cn(CCN)nn2)CC1 71750058 GTWIGWOLLYVFJD-UHFFFAOYSA-N 294.403 0.041 0 50 CCAA O=C(N[C@H](Cc1ccncc1)C(=O)O)[C@@H]1CCOC1 257671768 IQBYCNMSRVRRMW-GHMZBOCLSA-N 264.281 0.230 0 50 CCAA COc1cccc2c1CC[C@@H]2NC(=O)CS(C)(=O)=O 330950016 CUGBSWDXCIZZBB-NSHDSACASA-N 283.349 0.843 0 50 CCAA Cc1cc([C@H]2CCCN2C(=O)CN2CCOCC2=O)no1 363938825 PFWZULCQFBDJCD-GFCCVEGCSA-N 293.323 0.505 0 50 CCAA C[C@@H](NC(=O)CCCN)C(=O)NCc1ccccc1 155614975 ZTWRHGQUIMUWIW-LLVKDONJSA-N 263.341 0.546 0 50 CCAA CCOc1ncccc1C(=O)NC[C@@H]1COCCO1 216054787 VDZIWGZQZBSURQ-SNVBAGLBSA-N 266.297 0.626 0 50 CCAA CCNC(=O)CN1CCN(c2ncnc3[nH]ccc23)CC1 77337740 VUXBNCQUJHTVHN-UHFFFAOYSA-N 288.355 0.216 0 50 CCAA Cc1nonc1CN1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C 521396523 PQEJJGLMYUNNRY-IVZWLZJFSA-N 252.318 0.818 0 50 CCAA CCCN(C(=O)c1ccc[nH]1)[C@@H]1CC(=O)N(C)C1=O 283341286 ATKYEAODIUQVEF-SNVBAGLBSA-N 263.297 0.624 0 50 CCAA CC(C)c1ccc(NC(=O)NC[C@@H](O)C(N)=O)cc1 241588070 OZIXJZPXLVMXNN-LLVKDONJSA-N 265.313 0.778 0 50 CCAA Cc1ccc(CN(C)C(=O)NCCN2CCOCC2)nc1 241739149 RAKCLFSODQYJEJ-UHFFFAOYSA-N 292.383 0.864 0 50 CCAA CCN1CCCN(C(=O)NC[C@@H]2CCCN2CC)CC1=O 241926420 UGBXZJSGWQPRCX-ZDUSSCGKSA-N 296.415 0.735 0 50 CCAA O[C@@]1(CNCCc2cnn(-c3ccccc3)c2)CCNC1 77392714 WANSZEFIQNMVIQ-MRXNPFEDSA-N 286.379 0.729 0 50 CCAA OC[C@@H](O)CN1CCCC12CCN(c1ncccn1)CC2 72406964 QBYUNOVTKVDFHS-ZDUSSCGKSA-N 292.383 0.265 0 50 CCAA O=C(C[C@@H]1CCOC1)NCCCn1ccccc1=O 426425215 JWWNFRJHJPORCP-LBPRGKRZSA-N 264.325 0.781 0 50 CCAA CCOC(=O)CSc1nnc(NC(=O)NC)s1 48512822 OYMHGQYFPQNLLA-UHFFFAOYSA-N 276.343 0.945 0 50 CCAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2cnc[nH]c2=O)C1 91736197 SZZHEYWWERLEFJ-CQSZACIVSA-N 293.323 0.877 0 50 CCAA c1ccc(-n2nnnc2N2CCc3[nH]cnc3C2)cc1 95360046 DKCPMDTUBINUPN-UHFFFAOYSA-N 267.296 0.948 0 50 CCAA CSc1ncc(CNC(=O)CN2CCOC2=O)n1C 244811694 SJMVCVUXSUZGFP-UHFFFAOYSA-N 284.341 0.210 0 50 CCAA Cc1ccc(C)c(OCC(=O)NC[C@@]2(O)CCNC2)c1C 244899309 ZHOWUISPNVAFIX-MRXNPFEDSA-N 292.379 0.831 0 50 CCAA CSC[C@H](C)C(=O)N1CCO[C@H](CC(=O)O)C1 299738372 KTJNTKCFUSSUQR-DTWKUNHWSA-N 261.343 0.688 0 50 CCAA Cc1noc([C@H](C)NC(=O)CCc2cnn(C)c2)n1 534587231 SMPABECHJNDQGC-QMMMGPOBSA-N 263.301 0.922 0 50 CCAA CN1CCN(C)[C@@H](CNC(=O)Cc2ccsc2)C1 264700761 CYPJMLLEQJJPDI-LBPRGKRZSA-N 267.398 0.653 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CC[C@@H](CN)C1 534639457 BVRSWWVFFZJDHH-JTQLQIEISA-N 272.374 0.181 0 50 CCAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1nccn1C)CC2 299789199 UDELVIXFQGXNPV-UHIISALHSA-N 279.340 0.565 0 50 CCAA O=C(NCc1nc(-c2ccccn2)no1)c1cnn[nH]1 828205350 BUCQEKWRSXWTGA-UHFFFAOYSA-N 271.240 0.180 0 50 CCAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)CCS(C)(=O)=O 827992373 MHWDCANWSSZZPZ-QMMMGPOBSA-N 287.385 0.649 0 50 CCAA CC(C)OCC(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1 584899795 LEOXHXORBCTAIR-RYUDHWBXSA-N 256.346 0.079 0 50 CCAA CSCC(=O)N1CCN([C@H]2CN3CCC2CC3)CC1 584895193 KTBXBFNUVBKKSO-ZDUSSCGKSA-N 283.441 0.588 0 50 CCAA COc1cccc2[nH]cc(C[C@H]3NC(=O)NC3=O)c12 669371101 ZWGKWSDJTOZKOP-SECBINFHSA-N 259.265 0.927 0 50 CCAA CN1C[C@@H](CNC(=O)c2cncc(F)c2)CC1=O 584897879 NDCLGFGKZLEZER-MRVPVSSYSA-N 251.261 0.429 0 50 CCAA COCCn1cnnc1[C@@H](C)NC1CCOCC1 584888458 MZMIAKDJSVJODP-SNVBAGLBSA-N 254.334 0.754 0 50 CCAA CC(C)O[C@H]1CN(C(=O)CCCc2cn[nH]c2)C[C@@H]1O 584891176 CGJJYYJDTWQTDV-STQMWFEESA-N 281.356 0.729 0 50 CCAA COc1ccnc(N(C)C[C@H]2CC(=O)N(C)C2)n1 670472287 BRDOYEFLSUNKPU-VIFPVBQESA-N 250.302 0.400 0 50 CCAA O=C(O)[C@@H]1[C@H](C(=O)N2CCCCC2)[C@H]2C=C[C@H]1O2 239235531 WDBSFMAGIDPLAF-DBIOUOCHSA-N 251.282 0.653 0 50 CCAA Cn1nc(C(=O)N[C@@H]2C[C@@H](N)C23CCC3)cc1O 1343083942 RTHVTIMMVUKBDF-RKDXNWHRSA-N 250.302 0.125 0 50 CCAA O=C(N1CCC(N2CC[C@@H](O)C2)CC1)[C@]1(F)CCOC1 1550905250 KQAXSXFJQKNHGJ-OCCSQVGLSA-N 286.347 0.173 0 50 CCAA C[C@H]1CN(S(=O)(=O)N2CCCC2)C[C@]1(O)C1CC1 1565526979 MKADFVPNLFHNSX-CMPLNLGQSA-N 274.386 0.420 0 50 CCAA CC1(C)CN(CCNC(=O)NC2CCOCC2)CCO1 171016811 RYBIKINTTJJQCD-UHFFFAOYSA-N 285.388 0.575 0 50 CCAA Cc1ccnc(N2CCN(c3cncc4ncnn34)CC2)n1 275767287 RBEPFAVVGUTOCL-UHFFFAOYSA-N 296.338 0.549 0 50 CCAA C[C@H]1CN(c2ncnc(N)c2Cl)CC[S@@](=O)C1 277758729 KFBPVOMZAYDVLX-BWKAKNAASA-N 274.777 0.917 0 50 CCAA Cc1ccc(CN(C)C(=O)CN2CCN(C)CC2)nc1 682815889 MAJMOUBMFZIYJJ-UHFFFAOYSA-N 276.384 0.596 0 50 CCAA C[C@@H]1CN(C(=O)N=c2cc3ccccn3[nH]2)C[C@@H]1CN 632946989 UTPZRAUJGVQXNI-MNOVXSKESA-N 273.340 0.815 0 50 CCAA CCN1CCCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1=O 190846044 PGGCCHHDRGQXCD-NEPJUHHUSA-N 268.357 0.882 0 50 CCAA O[C@@]1(c2cnn[nH]2)CCCN(c2ncc(F)cn2)C1 583616818 SOPLKQLQSIOQLP-NSHDSACASA-N 264.264 0.222 0 50 CCAA COc1cc(CCNC(=O)[C@]23CC[C@H]2CNC3)ccn1 1615549160 VJJLVEKTBKBNAY-WFASDCNBSA-N 275.352 0.749 0 50 CCAA CCn1ncnc1CN1CCC[C@H](CS(C)(=O)=O)C1 215102953 PZZOQMDWIGKTSN-NSHDSACASA-N 286.401 0.555 0 50 CCAA Cc1ccc(CN(CCCO)C(=O)[C@@H]2C[C@@H](O)CN2)cc1 1506401564 TZGILOLHSBLIQF-CABCVRRESA-N 292.379 0.429 0 50 CCAA Cc1n[nH]c(C)c1CNc1nc(N)c2cnn(C)c2n1 1529151763 DXNCUKHPGBPICW-UHFFFAOYSA-N 272.316 0.898 0 50 CCAA O=C([C@@H]1CCOC1)N1CCCN(Cc2ncc[nH]2)CC1 1529158821 NOXRBMAYUHSYDA-GFCCVEGCSA-N 278.356 0.481 0 50 CCAA CN1CCN(Cc2cccn(C)c2=O)CC12CCOCC2 1857704010 ZVHQFBSLUQISMF-UHFFFAOYSA-N 291.395 0.682 0 50 CCAA CC(=O)N1CCC[C@@H](C(=O)NC2(CN(C)C)CCC2)C1 407994738 CSCGRSPPQRWXJB-CYBMUJFWSA-N 281.400 0.845 0 50 CCAA CCCn1c(=O)c2c(nc3oc(C)cn32)n(C)c1=O 8709825 GWQWUTMTKDSZSC-UHFFFAOYSA-N 262.269 0.659 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC[C@H]1C 647293572 PNISRZMRTLFYSY-VWYCJHECSA-N 279.381 0.347 0 50 CCAA CN1CCN([C@@H]2CC(=O)N(C3CCCCC3)C2=O)CC1 19881971 CNELLFYESJIWEO-CYBMUJFWSA-N 279.384 0.694 0 50 CCAA CSCC[C@H](CO)NC(=O)c1n[nH]c2c1CCC2 154704744 JTMCOBAFTGNSTG-MRVPVSSYSA-N 269.370 0.742 0 50 CCAA C[C@H](NC(=O)c1cncc(F)c1)c1n[nH]c(=N)s1 1857687442 RGGFTOPKXIFHME-YFKPBYRVSA-N 267.289 0.976 0 50 CCAA O=C(NCc1nnc2ccccn12)[C@H]1CCn2nccc2C1 1875242958 JSULNOJURKCQGG-NSHDSACASA-N 296.334 0.805 0 50 CCAA Cc1ccsc1S(=O)(=O)NC[C@H]1CNCCCO1 333474323 BFOCQYKZENBEIY-SNVBAGLBSA-N 290.410 0.713 0 50 CCAA Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)cc1 1704310455 XRPXJNYNIRRTJO-NWDGAFQWSA-N 299.348 0.451 0 50 CCAA C[C@@H]1CN=C(N2CCN(c3nc(C(=O)O)co3)CC2)S1 844209727 MGIIYHUYCJEMEG-MRVPVSSYSA-N 296.352 0.986 0 50 CCAA Cc1ccc(O)c(C(=O)N2CC[C@H](Cc3nn[nH]n3)C2)c1 1875285991 JGORNAWTWHTZAR-SNVBAGLBSA-N 287.323 0.919 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC(c2nnc(C)o2)CC1 1875367530 LLNHLCZRWDEASC-UHFFFAOYSA-N 292.339 0.728 0 50 CCAA O=C(O)C[C@@H](NC(=O)[C@H]1CCOC1)c1nccs1 1875300427 CDNKILRQWORRRK-JGVFFNPUSA-N 270.310 0.812 0 50 CCAA CC(C)Oc1nccc(CNC(=O)/C=C/CN(C)C)n1 1875376594 CJGZWKKFJZHKOZ-AATRIKPKSA-N 278.356 0.998 0 50 CCAA Cc1nn(C)c(Cl)c1CC(=O)N(C)[C@H]1CCC(=O)NC1 1875316094 UOADARXWQJNVBN-VIFPVBQESA-N 298.774 0.661 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)[C@H]1CCCc2scnc21 1875332808 LXSPUQTWACGSMZ-ZETCQYMHSA-N 293.352 0.746 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)NCc1ccc2c(c1)OCCN2 1875400514 BWBVDSHGZCDOFW-DGCLKSJQSA-N 291.351 0.078 0 50 CCAA CC[C@H]1C(=O)NCCCN1C(=O)c1cc(=O)c(OC)co1 886529405 FQTPOSWRBGCNDP-VIFPVBQESA-N 294.307 0.389 0 50 CCAA Cc1noc(C[C@@]2(O)CCCN(Cc3ncc[nH]3)C2)n1 888077231 VFQVWLUIWVDFPJ-ZDUSSCGKSA-N 277.328 0.671 0 50 CCAA COc1cc(C(=O)N2CC3CC2(C(N)=O)C3)sn1 888100640 ZBRNMVOMVIDEBV-UHFFFAOYSA-N 267.310 0.242 0 50 CCAA O=C([C@@H]1CNCCOC1)N1CCc2ccccc2CC1 643693754 YOQKJJAJPWMFEP-OAHLLOKOSA-N 274.364 0.850 0 50 CCAA O=C(O)C[C@H]1CN(c2ncnc3[nH]ccc23)CCO1 579359573 PRFABXNJKOXNTN-QMMMGPOBSA-N 262.269 0.638 0 50 CCAA Cc1cn(C[C@H](O)CN2C(=O)c3ccccc3C2=O)nn1 899901686 SVNZACGOULHLSB-JTQLQIEISA-N 286.291 0.244 0 50 CCAA COc1cc(C(=O)N[C@@H]2CCOC2=O)cc(OC)c1OC 15108414 DXSFRCRLBQTXTG-SECBINFHSA-N 295.291 0.758 0 50 CCAA CN1C[C@@H](C(=O)NCc2nn[nH]n2)Cc2ccccc21 2325733289 FVNSEKYMBOPESA-JTQLQIEISA-N 272.312 0.125 0 50 CCAA Cc1cc(C(=O)N2CCO[C@H](C(=O)O)C2)cc2nn[nH]c12 2325852057 REMCMODDPRFIHQ-JTQLQIEISA-N 290.279 0.192 0 50 CCAA C[C@H](O)Cc1nccn1Cc1nnnn1C(C)(C)C 2325879773 HLESCDFUYWDWTB-VIFPVBQESA-N 264.333 0.596 0 50 CCAA CC(C)CN1C[C@H](C(=O)N(C)CCc2ncon2)CC1=O 1363636140 QZFDNPZZCXGEKJ-LLVKDONJSA-N 294.355 0.575 0 50 CCAA COc1ccc2[nH]c(=O)c(CN(C)S(C)(=O)=O)cc2c1 4396651 NREKJVHOKINQPJ-UHFFFAOYSA-N 296.348 0.928 0 50 CCAA CC1(C)O[C@@H]2[C@@H](O1)[C@@H](O)O[C@@H]2[C@H]1COC(C)(C)O1 22057841 JWWCLCNPTZHVLF-SPFKKGSWSA-N 260.286 0.375 0 50 CCAA in-vitro CN1C(=O)[C@H](Cc2nc(-c3ccccc3)n[nH]2)N(C)C1=O 65370388 YLQPWKLYGMUYLD-JTQLQIEISA-N 285.307 0.907 0 50 CCAA COc1cc2ccn(Cc3nnn(C)n3)c(=O)c2cc1F 351913635 UWDVMFDJLMERDL-UHFFFAOYSA-N 289.270 0.721 0 50 CCAA CN1CCN(C(=O)[C@H]2CCCCO2)C[C@H]1c1ncc[nH]1 328629735 PCQFPPIPIRRCTO-NWDGAFQWSA-N 278.356 0.794 0 50 CCAA CN1CCN(C(=O)C2=COCCC2)C[C@@H]1c1ncc[nH]1 328626302 LNQGQVBABNWEFL-GFCCVEGCSA-N 276.340 0.919 0 50 CCAA COc1ncc(Cl)c(N2C[C@H]3[C@@H](C2)OCCN3C)n1 152065148 DAPNQLZHHIHFOR-VHSXEESVSA-N 284.747 0.658 0 50 CCAA CCc1nnc2ccc(N3CCN(CC)CC3)nn12 31811070 JGILODIESBAXAW-UHFFFAOYSA-N 260.345 0.829 0 50 CCAA NC(=O)NCCC(=O)NCc1ccccc1-n1ccnc1 363107081 BTRHXROMDZXQPU-UHFFFAOYSA-N 287.323 0.547 0 50 CCAA COc1ccc(CNC(=O)N2C[C@@H](O)C[C@@H]2CO)c(F)c1 361472655 DKFSTYIXCMWQJN-MNOVXSKESA-N 298.314 0.471 0 50 CCAA CNS(=O)(=O)c1ccc(CN2CC[C@@H](CN)C2)cc1 71746764 BRZQISBQRQIZPI-LBPRGKRZSA-N 283.397 0.375 0 50 CCAA Cc1ccc2c(n1)OCCN2C(=O)CS(=O)(=O)C(C)C 332737909 WQRIBMGPBCRHTP-UHFFFAOYSA-N 298.364 0.939 0 50 CCAA CSCC[C@H](O)C(=O)N(C)Cc1nc(C)c[nH]1 217117728 QGLDQSOUMIPDQU-VIFPVBQESA-N 257.359 0.791 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccn(C)c1=O 219877007 TZWMNMXIDKMUSE-SQNXGDPESA-N 292.335 0.165 0 50 CCAA O=C1CCCC[C@H](CC(=O)N2[C@H]3COC[C@H]2C3)N1 333529206 XTTAZIUFEIIUKT-GMTAPVOTSA-N 252.314 0.435 0 50 CCAA Cc1nnnn1CCC(=O)N(Cc1ccncc1)C1CC1 219521337 AVGYJOIPKKAVJC-UHFFFAOYSA-N 286.339 0.958 0 50 CCAA Cc1cccc2nc(CN3CC[C@@](F)(CO)C3)cc(=O)n12 338588539 YMVLEGWQJWJUSQ-HNNXBMFYSA-N 291.326 0.909 0 50 CCAA Cn1ncnc1[C@@H]1COCCN1CCCN1CCCC1 375295427 HUAABTMIQAEBNF-ZDUSSCGKSA-N 279.388 0.674 0 50 CCAA CCn1nc(C)cc1C(=O)N1CCN(C)[C@H](CCO)C1 219290708 ATLSMJXPOHRDGE-GFCCVEGCSA-N 280.372 0.350 0 50 CCAA Cc1cccc(CN2CCN(C(=O)[C@H](C)O)CC2=O)c1 72425645 CHWHOXXSACEVIC-LBPRGKRZSA-N 276.336 0.547 0 50 CCAA CCN1CCN(C(=O)c2cc(=O)cc(C)o2)[C@@H](C)C1=O 223663188 CYYLFCHQZRRXPM-JTQLQIEISA-N 278.308 0.641 0 50 CCAA O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cnc2n1CCOC2 612658517 IVPUJBSVPDFVNU-HIFRSBDPSA-N 299.330 0.801 0 50 CCAA CC(C)[C@@H](C(=O)N1CC[C@H](C(=O)O)C1)N1CCCC1=O 178264050 GVRJMNAZYGQZAQ-JQWIXIFHSA-N 282.340 0.567 0 50 CCAA COc1cccc(OCC(=O)N2CC[C@H](CN)C2)c1 178527884 MUOSAEBWTWOMRF-LLVKDONJSA-N 264.325 0.881 0 50 CCAA CCO[C@H]1CN(CCC(=O)NCc2ccco2)C[C@@H]1O 223413919 QQPNYFHPPCXUCE-STQMWFEESA-N 282.340 0.368 0 50 CCAA CCO[C@H]1CN(CCS(=O)(=O)c2ccccc2)C[C@@H]1O 223550770 CFVLPQFSHIWETF-KBPBESRZSA-N 299.392 0.542 0 50 CCAA CC(C)Cc1cc(C(=O)NCCN2CCNC2=O)n(C)n1 82138291 VULHYIJRQSYHPQ-UHFFFAOYSA-N 293.371 0.374 0 50 CCAA Cc1cnc(CN(C)C(=O)[C@@H](C)N2CCN(C)CC2)[nH]1 426571453 JCJBYJBBFSAFRH-GFCCVEGCSA-N 279.388 0.312 0 50 CCAA CNC(=O)c1noc(Cn2ncc3ccccc3c2=O)n1 95391231 NDMZUGMJQWDXDU-UHFFFAOYSA-N 285.263 0.187 0 50 CCAA O=C(Cn1ccc(C(F)F)n1)N1CCOCCN1 627571265 NSOJELAOMGJDQN-UHFFFAOYSA-N 260.244 0.184 0 50 CCAA CCCc1cc(N2CC(C(=O)NC)C2)n2ncnc2n1 184110889 ZGEBZRUNNKNDPP-UHFFFAOYSA-N 274.328 0.259 0 50 CCAA CN1CC[C@@H](C(=O)N(C)CCCC(=O)O)CC1=O 299752982 WHMXSHPNFUMWTR-SECBINFHSA-N 256.302 0.178 0 50 CCAA CN1C[C@@H]2[C@@H](CCCN2Cc2nnc(C3CC3)n2C)C1=O 299741749 FUGSGJMCGMAWNK-VXGBXAGGSA-N 289.383 0.745 0 50 CCAA CC(C)[C@H](CO)NC(=O)C1(n2cnnn2)CCCCC1 252494178 NNCMKZZAYVIFRQ-NSHDSACASA-N 281.360 0.466 0 50 CCAA CC[C@H](CNC(=O)C1(C)COC1)N1CCOCC1 534654250 AITDVUMFLRDHQV-LLVKDONJSA-N 256.346 0.250 0 50 CCAA CCOc1cc(CNC(=O)N2CC(O)C2)ccc1OC 534670895 HYMCEAPJWUSCJT-UHFFFAOYSA-N 280.324 0.980 0 50 CCAA CCc1ocnc1C(=O)N[C@H]1COC[C@@H]1N1CCOCC1 534650548 NETSBQZSPXLQPW-QWRGUYRKSA-N 295.339 0.066 0 50 CCAA O=C(NCCN1CCC(CO)CC1)[C@@H]1CC12CCNCC2 534578162 LLQKHNNBKPOHRA-AWEZNQCLSA-N 295.427 0.197 0 50 CCAA CCOC(=O)[C@@H]1CCCN(c2nnc(N)s2)C1 390825312 WMKUAYNNYOCAQX-SSDOTTSWSA-N 256.331 0.900 0 50 CCAA C[C@@H](CNS(=O)(=O)C1CC1)NCc1cc(C2CC2)n[nH]1 584902531 AOKZHNJXTODLNO-VIFPVBQESA-N 298.412 0.847 0 50 CCAA Cc1nncn1CCN1CCC([C@@H](C)CO)CC1 828652166 SNSHFMASACSMNX-NSHDSACASA-N 252.362 0.927 0 50 CCAA COC[C@@H](C)NC(=O)C1CCN(CCn2cnnc2)CC1 670468376 VWLLKCQSBWBAST-GFCCVEGCSA-N 295.387 0.141 0 50 CCAA CCc1[nH]nc2c1CN(c1cncc(C(N)=O)n1)CC2 670459211 XICAUAAAAVFQQT-UHFFFAOYSA-N 272.312 0.424 0 50 CCAA CCCn1ncc(CNCc2nc(O)n[nH]2)c1C 952863849 XCBOEDOWNWDJFZ-UHFFFAOYSA-N 250.306 0.715 0 50 CCAA Cc1cccnc1C(=O)N[C@H]1CCOC[C@@H]1OCCO 1565506062 NLWQYHGEZPCQPU-RYUDHWBXSA-N 280.324 0.286 0 50 CCAA Cc1cc(CNC(=O)c2ccon2)nc(N(C)C)n1 170608557 ORXQGKNZNHLBNU-UHFFFAOYSA-N 261.285 0.769 0 50 CCAA Cn1c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cccc1=O 270347099 VRZTTZAZZBCZHN-DZGCQCFKSA-N 284.315 0.773 0 50 CCAA COC(=O)C(C)(C)NC(=O)CNC(=O)c1ccc(F)cc1 274193184 QJZMOTXRRHJWOZ-UHFFFAOYSA-N 296.298 0.623 0 50 CCAA C[C@H](c1nnnn1C)S(=O)(=O)c1cccc(F)c1 188939984 AHKUYSKOXHYHFM-SSDOTTSWSA-N 270.289 0.884 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cc[nH]c1C 644058678 IVMZXSKNLBHBJF-ZDUSSCGKSA-N 265.313 0.430 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)C1CCC(O)CC1 644230569 HRCKDMPOIKYFKJ-ODGNXRKOSA-N 296.411 0.641 0 50 CCAA COc1cccc(CN(C)C(=O)c2cncnc2N)n1 192386671 SLEFRONNHGPOMI-UHFFFAOYSA-N 273.296 0.735 0 50 CCAA COc1ccnc(N2CCN(C(=O)c3cn[nH]c3)CC2)n1 194261347 MCIHGCIKCPJLAF-UHFFFAOYSA-N 288.311 0.171 0 50 CCAA CN1CC[C@H](NCC2(C(N)=O)CCOCC2)[C@@H]2CCC[C@H]21 584069076 NPCRPFAEQIRGRT-MELADBBJSA-N 295.427 0.731 0 50 CCAA CN1CC[C@H](O)[C@@H](CN(CCO)Cc2cccs2)C1 1616182637 FSZGZXFUXGBZNP-OCCSQVGLSA-N 284.425 0.855 0 50 CCAA Oc1ncnc2c1CCN(CC[C@@H]1COCCO1)C2 1800413895 JURGEFSPXDLGNQ-SNVBAGLBSA-N 265.313 0.346 0 50 CCAA Cc1ccoc1CC(=O)N[C@]1(C(=O)O)C[C@H](O)C1 1600607044 WPGVOURWCJFBHI-LYWQIFSTSA-N 253.254 0.225 0 50 CCAA O=C(CNS(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 210368 XIXIDPABWFCPJT-LLVKDONJSA-N 298.364 0.260 0 50 CCAA Cc1c[nH]c(CN(C)CCN2CCOCC2)c(C)c1=O 1506397947 PXUQNXKOJFOOBH-UHFFFAOYSA-N 279.384 0.756 0 50 CCAA CC(=O)Nc1nonc1NC(=O)CCn1cccn1 1529190699 MPQQRVXMXMNZEN-UHFFFAOYSA-N 264.245 0.253 0 50 CCAA O=C(CCO)N1CCCN(C(=O)[C@H]2CC23CC3)CC1 1529145875 OWVNHJLIZXVEGU-LLVKDONJSA-N 266.341 0.230 0 50 CCAA CS(=O)(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529099938 IVQGBEUDTFKLPO-GHMZBOCLSA-N 256.327 0.188 0 50 CCAA CCC[C@@]1(CO)CCCN1CCC(=O)N1CCN(C)CC1 225772862 RJGHRMDIRBNCEQ-INIZCTEOSA-N 297.443 0.778 0 50 CCAA COc1ccncc1NC(=O)[C@@H]1CCS(=O)(=O)C1 131428332 CIBKPOHEKRPPEP-MRVPVSSYSA-N 270.310 0.463 0 50 CCAA CN(C)c1cc[n+](C[n+]2ccc(N(C)C)cc2)cc1 5342481 BCUPUQABJVTQPK-UHFFFAOYSA-N 258.369 0.899 0 50 CCAA COc1cc(C(N)=O)c(N(C)S(C)(=O)=O)cc1OC 13582493 WQLXGJFIKDSHFY-UHFFFAOYSA-N 288.325 0.199 0 50 CCAA CC(C)CCN1CCN2C(=O)CN(C)C(=O)[C@H]2C1 14750705 PMRRRRRJURSPEG-LLVKDONJSA-N 253.346 0.017 0 50 CCAA c1cc(C(N2CCOCC2)N2CCOCC2)ccn1 19300846 GAZGPNVOYNEFNB-UHFFFAOYSA-N 263.341 0.745 0 50 CCAA Nc1cncc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2C3)n1 1857666782 UDIWBNKCFWWMKF-TUAOUCFPSA-N 287.367 0.896 0 50 CCAA Cc1cc(C[C@@H]2CN(c3nnc(C)s3)C[C@H]2O)n[nH]1 1857735952 KAIFIKWFPJMYPC-MWLCHTKSSA-N 279.369 0.918 0 50 CCAA O=C(Cc1cc[nH]n1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1875251386 DRGHHUQPINQTGU-OCCSQVGLSA-N 286.335 0.409 0 50 CCAA COCCn1nnnc1NC(=O)c1scnc1C 906299070 IEHBBXUISCGADD-UHFFFAOYSA-N 268.302 0.337 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)NCC(C)(C)N 911845751 AKXOWBWCYIQZNN-OAHLLOKOSA-N 277.368 0.649 0 50 CCAA Cc1conc1CN1CCCC[C@@H]1CS(N)(=O)=O 931233061 DGIQHNPRWWCJDT-SNVBAGLBSA-N 273.358 0.626 0 50 CCAA N[C@@H]1CN(c2ccnc(C3CC3)n2)C[C@@H]1n1ccnn1 952887189 KXZJJSJOJBRRSQ-MNOVXSKESA-N 271.328 0.334 0 50 CCAA COCc1cncc(C(=O)NC/C=C/C(=O)OC)c1 1875273049 ZIXISFIVVLQDRR-ONEGZZNKSA-N 264.281 0.687 0 50 CCAA Cc1nnc(-c2ccccc2C(=O)NS(C)(=O)=O)o1 1875390671 BBNDAUVYURCIFT-UHFFFAOYSA-N 281.293 0.734 0 50 CCAA C[C@H]1C[C@H]1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875332870 OPUGXKWEMKMLCL-GXXJIYDSSA-N 271.338 0.264 0 50 CCAA Cc1nnccc1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 888079450 KSRWSZCZICUTJK-QJPTWQEYSA-N 273.296 0.086 0 50 CCAA COCC(C)(C)C(=O)N1CCC[C@H](Cc2nn[nH]n2)C1 1774207964 GYDMXLWUJAZIJQ-SNVBAGLBSA-N 281.360 0.653 0 50 CCAA C[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H](C)N1 154188247 XRJZHZPTQSKQTF-TXEJJXNPSA-N 263.341 0.447 0 50 CCAA C[C@@]1(C(=O)O)CCCN(C(=O)c2cnc(N)s2)C1 426442504 ILSNWCGYUHJOGV-LLVKDONJSA-N 269.326 1.052 0 50 CCAA CC(=O)c1nn(C)cc1OCc1nnn(C(C)(C)C)n1 904436542 POVUZBRPJKVQGN-UHFFFAOYSA-N 278.316 0.943 0 50 CCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1coc2c1[C@@H](O)CCC2 2325779195 NWXYXJKTLKIGLP-WPRPVWTQSA-N 297.332 0.690 0 50 CCAA COc1ccsc1C(=O)N1CCC[C@H](O)[C@H]1C(=O)O 911635467 CYPJESPTQUNVFA-CBAPKCEASA-N 285.321 0.807 0 50 CCAA CCNC(=S)N1CCN(C(=O)[C@H]2CCCO2)CC1 459207 MZCXSZNDFJMJHM-SNVBAGLBSA-N 271.386 0.204 0 50 CCAA C[C@H](C(=O)O)N(C)C(=O)c1cccc2c1OCC(=O)N2 342566055 LBOWFGVMMGWRLH-SSDOTTSWSA-N 278.264 0.563 0 50 CCAA O=C(NCc1nn[nH]n1)c1cccc(Cn2ccnc2)c1 600496829 GSZPCYLTFCPQRY-UHFFFAOYSA-N 283.295 0.375 0 50 CCAA O=C(O)C[C@@H]1C(=O)NCCN1CCc1ccccc1 9818429 BAXCJJQABRWSEO-GFCCVEGCSA-N 262.309 0.504 0 50 CCAA CC(=O)N1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 343749292 BLGIMOUBXMSYBJ-NSHDSACASA-N 272.345 0.117 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1Cc1cccnc1 67886496 CRTUVMMJFRCHNJ-KBPBESRZSA-N 276.384 0.852 0 50 CCAA COc1cc(N2CCCN(C(=O)C3CC3)CC2)ncn1 65381482 GAERAGSZBFOGPU-UHFFFAOYSA-N 276.340 0.934 0 50 CCAA COc1ccc(-c2noc(CNS(C)(=O)=O)n2)cc1 33543343 TWZADXINRHALGG-UHFFFAOYSA-N 283.309 0.794 0 50 CCAA Cn1ccnc1-c1ccc(NCCN2CCNC2=O)nn1 71614981 ITBYPEOHQFRHPS-UHFFFAOYSA-N 287.327 0.314 0 50 CCAA CN1CCO[C@@H]2CN(c3nnc(C(F)F)o3)C[C@H]21 330355280 QLYJHNBMKWLXTJ-RNFRBKRXSA-N 260.244 0.526 0 50 CCAA Cc1cnn(CC(=O)N2CCC[C@](O)(C(=N)O)C2)c1 330583736 SYKIPVYAACSDLY-GFCCVEGCSA-N 266.301 0.080 0 50 CCAA CN(CC(=O)O)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 263155600 NACUNYFRGUPFJB-VIFPVBQESA-N 294.282 0.722 0 50 CCAA CO[C@H](C)CS(=O)(=O)N1C[C@@H]2CCC[C@H](C1)N2 262148909 YSBOIQZWWCZTTC-MXWKQRLJSA-N 262.375 0.177 0 50 CCAA CC(F)(F)C(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 377402779 NRIMTPIAPYQEII-RFZPGFLSSA-N 274.189 0.764 0 50 CCAA CC(C)N1CCC(O)(CNC(=O)/C=C/CN(C)C)CC1 492144190 INBZEYUOSRYEMJ-AATRIKPKSA-N 283.416 0.456 0 50 CCAA CC(=O)N1CC(C(=O)N2CCN[C@@H](c3cccnc3)C2)C1 374387664 JPFXDGUBLSGDSX-CQSZACIVSA-N 288.351 0.033 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 332863417 YHZSUQRRYUCPNJ-WRYZSIRCSA-N 296.367 0.354 0 50 CCAA Cc1ccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)nn1 74834520 YKSLFBHVSQXETE-GFCCVEGCSA-N 276.340 0.613 0 50 CCAA C[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCNC(=O)C2)CC1 336443107 JAJFAUIKRQFJAM-GHMZBOCLSA-N 281.356 0.030 0 50 CCAA C/C=C/CN1CCC2(CCN(CCO)CC2)[C@H](CO)C1 219629115 QKXMWQIJVIDGBJ-FAAWYNLUSA-N 282.428 0.951 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)C=C2CCCCC2)C1 284499781 DFXYSAUTMGYSTM-RYUDHWBXSA-N 266.341 0.978 0 50 CCAA O=C(CCn1cncn1)N[C@@H]1CCOC[C@H]1OCC1CC1 223517299 PRYDHPBNQJLOTD-CHWSQXEVSA-N 294.355 0.369 0 50 CCAA Cc1nc(N)nc(C)c1CC(=O)N[C@H]1C[C@@H]2OCC[C@H]12 223174414 OHGUYIYUDLQFCB-USWWRNFRSA-N 276.340 0.512 0 50 CCAA Cc1nc(CCNC(=O)c2cccc(OCCN)c2)no1 426389551 ZYBYXXFWGALQOK-UHFFFAOYSA-N 290.323 0.688 0 50 CCAA Cc1cnc2nc(C(=O)N3CCC4(CN(C)C4)C3)nn2c1 614034697 FBBITKOGCAMROZ-UHFFFAOYSA-N 286.339 0.210 0 50 CCAA c1ncc(CCN=c2cc([C@H]3CCOC3)nc[nH]2)[nH]1 426571432 HGUPAZIQJADFNI-JTQLQIEISA-N 259.313 0.780 0 50 CCAA O=C(NC[C@H]1CCCO1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239174610 QHISLNKQAONDBW-HHHUOAJASA-N 265.309 0.805 0 50 CCAA O=C(O)[C@H]1CN(C(=O)Cc2n[nH]c3ccccc23)CCO1 238123985 NCTOYRFFKJHDPK-GFCCVEGCSA-N 289.291 0.417 0 50 CCAA CCn1nncc1C(=O)N[C@@H](C)c1cn(C)nc1C 293025255 LQLXDGSUEZTAKY-QMMMGPOBSA-N 262.317 0.831 0 50 CCAA C[C@]1(O)CCN(C(=O)Cc2ccc(O)c(F)c2)C[C@@H]1O 96163394 RCSLQDJZCRKNQX-JSGCOSHPSA-N 283.299 0.418 0 50 CCAA CCNC(=O)CN(Cc1cocn1)Cc1cocn1 244874831 XHZAQXFMPPSBID-UHFFFAOYSA-N 264.285 0.801 0 50 CCAA Cn1nccc1[C@H](CO)NC(=O)COc1ccc(F)cc1 622693338 FTLDUWMLJYSQES-LBPRGKRZSA-N 293.298 0.788 0 50 CCAA CS[C@H](C)C(=O)N(CC(=O)O)C1CCOCC1 299750463 NMYHUCWHIHERLY-MRVPVSSYSA-N 261.343 0.830 0 50 CCAA COCCN(CC(=O)O)C(=O)CC[C@H]1CC[C@@H](C)O1 299752402 TZVBQNXRERYLSQ-GHMZBOCLSA-N 273.329 0.894 0 50 CCAA O=C1CC[C@@H](C(=O)NC2(C3CCCC3)CC2)NC(=O)N1 534672602 LXFXVKYSKNDOQG-JTQLQIEISA-N 279.340 0.814 0 50 CCAA CC1(C)C[C@@H](C(=O)NCCc2nc(N)n[nH]2)CCO1 534659708 DBVKMEGQXDRSHZ-QMMMGPOBSA-N 267.333 0.251 0 50 CCAA CCOCC(=O)NCC[C@H](C)N1CCN(C)CC1 534577723 HQZHRGZLVIJNSL-LBPRGKRZSA-N 257.378 0.165 0 50 CCAA Cc1ccccc1OC[C@H](O)C(=O)NCCc1ncc[nH]1 534655489 AWSAYVHDSVNCFY-LBPRGKRZSA-N 289.335 0.817 0 50 CCAA Cn1cc(Cl)c(C(=O)NCCc2nccn2C)n1 534591939 JUKYKABTKNOIMT-UHFFFAOYSA-N 267.720 0.780 0 50 CCAA CS(C)(=O)=NC(=O)CNC(=O)C(F)(F)C1CC1 2325769914 PSLIGEXKQLHWMV-UHFFFAOYSA-N 268.285 0.402 0 50 CCAA O=C(NCc1nc(C2CCCCC2)no1)[C@@H]1C[C@@H](O)CN1 299761115 ROPKPHHHFCASEL-MNOVXSKESA-N 294.355 0.456 0 50 CCAA CC(C)N1CCN(CN2CCN(C(C)C)CC2)CC1 725377890 FLCYBVMCWNWFAZ-UHFFFAOYSA-N 268.449 0.996 0 50 CCAA Cn1nc(C(=O)N2CCOc3ccccc3C2)ccc1=O 584896917 IAMPLOZLUKCUEY-UHFFFAOYSA-N 285.303 0.815 0 50 CCAA C[C@H]1CN(C(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)C[C@@H](C)O1 239174571 QGEBSPUADLHOLP-RRZJSNMYSA-N 283.324 0.500 0 50 CCAA CCc1ncnc(N2C[C@H]3[C@@H](C2)OCCN3C)c1F 301969311 QEGBXZKPXZSVER-WDEREUQCSA-N 266.320 0.697 0 50 CCAA C[C@H]1COCC[C@H]1NC[C@H]1CCCN1S(C)(=O)=O 170619061 PIHKDPHREDFUDD-QJPTWQEYSA-N 276.402 0.425 0 50 CCAA Cc1nc(COC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)c(C)s1 170609501 DFJSWBCAPRVGNW-UWVGGRQHSA-N 284.337 0.836 0 50 CCAA CC(C)(NS(C)(=O)=O)c1noc(-c2ccncc2)n1 273992541 WWJHGYPSJOPAEB-UHFFFAOYSA-N 282.325 0.916 0 50 CCAA CC(C)[C@H](CNC(=O)[C@H]1C[C@H](O)CN1)c1cccnc1 277702035 WETIBPYRDLLQED-MELADBBJSA-N 277.368 0.660 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(C2CC2)no1 643938703 VWPGHTDEBKBCNR-CQSZACIVSA-N 293.323 0.659 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cnc(C)nc1C 643939868 UYSJQLLFWLENAG-AWEZNQCLSA-N 292.339 0.200 0 50 CCAA Cn1cc([C@H]2CSCCN2Cc2ncnn2C)cn1 191218919 KQFDAIAVCNIKQD-LLVKDONJSA-N 278.385 0.839 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)CC2(OC)CCC2)C1 644035104 GRDQBRQDVMPOBD-AWEZNQCLSA-N 298.383 0.435 0 50 CCAA Cc1nc2ncnn2c(N[C@@H]2C[C@H](C(=O)O)C[C@H]2O)c1C 662895217 CIFPZEDLTOWQNO-IVZWLZJFSA-N 291.311 0.377 0 50 CCAA CC(C)C[C@@H](C(=O)O)N1CCN(S(C)(=O)=O)CC1 577957717 FPBJJWARPRWFIX-JTQLQIEISA-N 278.374 0.063 0 50 CCAA Cc1cc(C(=O)NCCN2CCC3(C2)OCCO3)ns1 585131353 SNGRUMKLDFSJGX-UHFFFAOYSA-N 297.380 0.630 0 50 CCAA CCc1ccccc1S(=O)(=O)N1CCN(C)C[C@@H]1CO 585115437 ZYBNOYJAJHALEW-CYBMUJFWSA-N 298.408 0.546 0 50 CCAA COC[C@@H]1CCCCN(C(=O)NCCc2nnnn2C)C1 681067744 QNFKNYQETFMPDK-LLVKDONJSA-N 296.375 0.211 0 50 CCAA O=C(NOC[C@H]1CCOC1)c1cnc(C2CC2)nc1O 1332112555 LMEYWZLRLQSDQT-QMMMGPOBSA-N 279.296 0.758 0 50 CCAA CC(C)(C)NC(=O)CN1CCN(CC[C@@H]2CCOC2)CC1 1506421774 JRNSFQDXMJVHCI-CQSZACIVSA-N 297.443 0.945 0 50 CCAA CCn1ncnc1CN(C)C[C@H]1CCN(CCOC)C1 1506420456 HXTCAXFAOPWBCW-CYBMUJFWSA-N 281.404 0.698 0 50 CCAA Nc1ccc(C(=O)NCC2(CO)CCOCC2)cn1 223249366 NADFQEDUDRWTAP-UHFFFAOYSA-N 265.313 0.183 0 50 CCAA CCNC(=O)[C@H]1CCN(c2cnc(C(=O)O)cn2)C1 1529094690 JPQHZHFERCULPK-QMMMGPOBSA-N 264.285 0.137 0 50 CCAA COc1cc(NS(=O)(=O)c2c[nH]cn2)ccc1C(=O)O 227178080 OJCWCTWCDUZGHP-UHFFFAOYSA-N 297.292 0.917 0 50 CCAA C[C@H](C(=O)N(CCO)Cc1ncc[nH]1)N1CCCCC1 1704302554 ACNRMTREMJYIFA-GFCCVEGCSA-N 280.372 0.605 0 50 CCAA Cc1cc2n(n1)CCN(c1nc(C(=O)O)nn1C)C2 1857673565 VMDOVDQJLUZERY-UHFFFAOYSA-N 262.273 0.038 0 50 CCAA Cc1nc(C(=O)N[C@@]2(C)CCOC2)ccc1C(=O)O 162176071 ACMQFIPQIVLDHX-ZDUSSCGKSA-N 264.281 0.997 0 50 CCAA CC(C)CCOC(=O)[C@@H](C)Sc1n[nH]c(=O)[nH]c1=O 13638511 FVDCOFYVXQMGHN-SSDOTTSWSA-N 287.341 0.528 0 50 CCAA CSc1ncc(C(=O)N2CCN3CCOC[C@H]3C2)cn1 1857690763 RSYJDEUBOVALBC-LLVKDONJSA-N 294.380 0.355 0 50 CCAA Cc1ncc(C(=O)NC[C@@]2(O)CCOC2)c(C(C)C)n1 239359507 AEIUAHYNAHZWJQ-AWEZNQCLSA-N 279.340 0.790 0 50 CCAA COc1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)cc1F 261978106 RILHTZYPMQXFEZ-RNCFNFMXSA-N 282.315 0.827 0 50 CCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)c1cnn(C2CCC2)c1 907704792 YRDYLGWSPSOTND-WDEREUQCSA-N 279.296 0.580 0 50 CCAA C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1 952877815 VXKATKUSJPGSSI-VIFPVBQESA-N 298.364 0.238 0 50 CCAA CC(=O)N1C[C@H]2C[C@@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 1875276199 DHFXMYLJAPLQNR-NOZJJQNGSA-N 292.364 0.644 0 50 CCAA Cn1cc(C(=O)N2CCOc3ccccc3[C@@H]2CO)cn1 887107592 LDZJSJBIHOPZTR-ZDUSSCGKSA-N 287.319 0.988 0 50 CCAA CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn[nH]1)C2 957818638 RQWQWBQGDNUYSM-GUBZILKMSA-N 277.328 0.324 0 50 CCAA C1CC1c1nc(-c2noc([C@]34CC[C@H]3CNC4)n2)n[nH]1 1775960738 MGUFRQGSFNOABG-SDBXPKJASA-N 272.312 0.983 0 50 CCAA Nc1nccnc1C(=O)NC[C@H]1CCc2nccn2C1 276323076 PIBGNHWIOYMCGC-SECBINFHSA-N 272.312 0.248 0 50 CCAA C[C@@]1(O)CCN(C(=O)c2ccc(Cl)o2)C[C@@H]1O 96133845 YMMIRALRWPKDSM-GZMMTYOYSA-N 259.689 0.891 0 50 CCAA O=S1(=O)CC[C@H](NC2CSCCSC2)C1 584893002 RLTWWFKXHOPNET-QMMMGPOBSA-N 267.441 0.612 0 50 CCAA COc1ccccc1NC(=O)CN1C(=O)NC(C)(C)C1=O 2873044 JXKRVKIOCVUKSK-UHFFFAOYSA-N 291.307 0.964 0 50 CCAA Cn1cnc(CNC(=O)c2ccn3ccnc3n2)c1 2325876149 LQAPAWWGLRLBQI-UHFFFAOYSA-N 256.269 0.393 0 50 CCAA CC(C)[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 4762525 VEYJKJORLPYVLO-VXGBXAGGSA-N 280.324 0.487 0 50 CCAA endogenous,in-man Cc1cc(C(=O)N2CCN(Cc3noc(C)n3)CC2)[nH]n1 112295283 WDYLGIBEAVJLDW-UHFFFAOYSA-N 290.327 0.368 0 50 CCAA Cc1nc2ncccc2cc1C(=O)N1CCN(C)C(=O)C1 20272633 WDIUIDVGGOQVLB-UHFFFAOYSA-N 284.319 0.852 0 50 CCAA CCC(N)(CC)CNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 418436540 IISQXXRRRDWANS-AWEZNQCLSA-N 296.415 0.816 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@]23C=C[C@@]12CC=CC3 101046995 VCYLHQAOXOQRAP-LWWSYDQCSA-N 269.304 0.907 0 50 CCAA C[C@@H]1O[C@H](Sc2ccccc2)[C@H](O)[C@H](O)[C@H]1O 22065859 YBOVKFRFMWFKCC-KXMNOHPDSA-N 256.323 0.606 0 50 CCAA C[C@H]1CC(=O)c2cnc(N3CCN(CCO)CC3)nc2C1 20064267 KNFPHERYNPWPRO-LLVKDONJSA-N 290.367 0.356 0 50 CCAA CN(C)CCN(C)CCCNC(=O)[C@@H]1CCCOC1 345429852 QWXGNXBBGBLYKM-CYBMUJFWSA-N 271.405 0.413 0 50 CCAA Cc1nccn1C[C@@H]1CCCN1c1ccc2nnnn2n1 330168572 CTEHJMSFWCYBQS-NSHDSACASA-N 284.327 0.693 0 50 CCAA CC(C)N1CCC[C@H](CNC(=O)N2CCNC(=O)C2)C1 171702619 RYMAZRASWQQEAU-GFCCVEGCSA-N 282.388 0.248 0 50 CCAA COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1 20357999 VLMVFRLASKOYKX-SECBINFHSA-N 258.318 0.758 0 50 CCAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccccn1 67540511 DBLLUQPKCJPWTO-PWSUYJOCSA-N 276.340 0.148 0 50 CCAA CCS(=O)(=O)NC[C@H](c1cccnc1)N1CCOCC1 36096918 ATAJACRGDMWXTA-CYBMUJFWSA-N 299.396 0.394 0 50 CCAA NCCc1cc(N[C@H]2CCCN(C(=O)C3CC3)C2)ncn1 67712991 CEWSCNHKLWQPGT-ZDUSSCGKSA-N 289.383 0.791 0 50 CCAA CC(C)CO[C@@H]1CCN(C(=O)c2cnnn2C)C1 281688650 YUDZPLIFGUWVLH-SNVBAGLBSA-N 252.318 0.702 0 50 CCAA CCN1CCN(S(=O)(=O)C2CC2)C[C@H]1c1ncc[nH]1 328630891 QJWPIVVMRUSOIT-NSHDSACASA-N 284.385 0.581 0 50 CCAA CC(C)N(C)CC(=O)N1CCO[C@H](CN(C)CC2CC2)C1 328655575 YMFURVJPPJDPBK-OAHLLOKOSA-N 297.443 0.896 0 50 CCAA C[C@@H](NC(=O)CCCn1cncn1)c1cnn(C)c1 124959202 FQXGAKQKUSKRSQ-SNVBAGLBSA-N 262.317 0.669 0 50 CCAA CCn1nc(C(C)C)cc1C(=O)N1CC[C@H](O)[C@@H](O)C1 72165113 KTJJHPYUZQXZFU-STQMWFEESA-N 281.356 0.594 0 50 CCAA NS(=O)(=O)CCNC(=O)[C@@H]1CCc2ccccc21 330622251 NMFGFHSRSQCSCT-LLVKDONJSA-N 268.338 0.121 0 50 CCAA COCc1cc(N2CCO[C@H](CCN(C)C)C2)ncn1 71589536 VCJRWSZYKGWJKL-CYBMUJFWSA-N 280.372 0.780 0 50 CCAA O=S(=O)(CCC1CCCC1)N[C@@H]1COC[C@H]1O 333043761 FMRBQFWVZKCGCX-GHMZBOCLSA-N 263.359 0.246 0 50 CCAA OC[C@H](O)c1cc2n(n1)CCN(C1CCCC1)C2 219885543 ZLRZIETUUQUUDE-ZDUSSCGKSA-N 251.330 0.667 0 50 CCAA COc1cc(F)c(CN2CCN[C@@H](C(=O)O)C2)cc1OC 71497684 VNZDVARYFIJBAJ-LLVKDONJSA-N 298.314 0.701 0 50 CCAA Cc1cc(C(=O)N2CC[C@H](O)[C@@H](O)C2)ccc1F 72149259 JWNWYKINHOZAGZ-RYUDHWBXSA-N 253.273 0.702 0 50 CCAA O=C(CN1CCC[C@@H](O)C1)N1CCC(c2ncon2)CC1 426434184 ZKQGGSCBVAFVQK-GFCCVEGCSA-N 294.355 0.232 0 50 CCAA CC(=O)c1c(C)nn(CC(=O)NCc2cc[nH]n2)c1C 222276600 LMKXVMSBABBZRM-UHFFFAOYSA-N 275.312 0.742 0 50 CCAA Cn1nc(C(=O)N[C@H]2COC[C@@H]2O)cc1-c1cccs1 220097070 SOFIWSIUQCAHEU-ONGXEEELSA-N 293.348 0.638 0 50 CCAA CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc2nnnn2c1 532078377 FUTFNRBKKICDHA-GFCCVEGCSA-N 288.355 0.537 0 50 CCAA Cc1nc([C@H]2CCOC2)cc(N2CCS(=O)(=O)CC2)n1 426442523 KGNHTNSVFSVEAA-NSHDSACASA-N 297.380 0.524 0 50 CCAA CS(=O)(=O)CCN1CCC[C@@](CO)(CC2CC2)C1 91943686 ZQWVGXFUPWATQQ-CYBMUJFWSA-N 275.414 0.906 0 50 CCAA CCN1CCO[C@H](C(=O)N2CCCC[C@@H]2CN)C1 236899671 YYLOIHDFBXUYLH-NEPJUHHUSA-N 255.362 0.047 0 50 CCAA COC(=O)[C@@H]1ON2CCCC[C@@H]2[C@]1(O)C(F)(F)F 247846462 PQDZZAOOAKREIL-BKPPORCPSA-N 269.219 0.621 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)NCC[C@@H]1CCCOC1 534585532 PHIPBVMJMGYFFL-JTQLQIEISA-N 267.329 0.899 0 50 CCAA COc1ccccc1OCC(=O)N[C@H]1COC[C@@H]1OC 290452417 PGIMIZNMOVNOMJ-GWCFXTLKSA-N 281.308 0.604 0 50 CCAA Cc1nn(C)c(C)c1CN(C)c1cc(NCCO)ncn1 828767784 NOCUFDRSECJMRE-UHFFFAOYSA-N 290.371 0.868 0 50 CCAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)c1cncc(=O)[nH]1)C2 584891396 LFJDSKNDZGEQDL-QWRGUYRKSA-N 276.340 0.326 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)c2n[nH]c(C)c2Cl)C1 584895743 AXAKEFGGVYMXKV-MRVPVSSYSA-N 284.747 0.970 0 50 CCAA NC1(C(=O)NCCCN2CCC[C@H](CO)C2)CCCC1 670449260 QMXBRYLOAWEWHN-ZDUSSCGKSA-N 283.416 0.469 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)NCc1ccc(CO)cc1 952974268 WHDUGTZCOLBYBA-NSHDSACASA-N 274.324 0.723 0 50 CCAA C[C@@H]1C(=O)NCCCN1C(=O)c1cc(C2CC2)on1 188894072 WCXGFHKXPYUECE-MRVPVSSYSA-N 263.297 0.903 0 50 CCAA CN(C)C[C@@]1(O)CCCN(C[C@H]2CCc3ncnn32)C1 639761987 IYIAZCMKBUEVMT-OCCSQVGLSA-N 279.388 0.154 0 50 CCAA CN(C)c1ccc([C@@H]2CCCN2C(=O)c2cnn[nH]2)nn1 643903031 VJQBBXINRFLUNR-NSHDSACASA-N 287.327 0.638 0 50 CCAA COCC(=O)NC1CN(c2ncnc3c(C)csc23)C1 192791321 BLWWKJSMPDCVAE-UHFFFAOYSA-N 292.364 0.951 0 50 CCAA O=C(O)c1ccc(OCCNC(=O)c2cncnc2)cc1 566046296 HYBWCLWODLHBFO-UHFFFAOYSA-N 287.275 0.984 0 50 CCAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CNC(N)=O 798321037 KHAREONSKFKWRH-VIFPVBQESA-N 267.333 0.082 0 50 CCAA N[C@@]1(C(=O)O)CCN(Cc2ccc3c(c2)OCCO3)C1 67754302 NKGFNTFQZBTKAO-AWEZNQCLSA-N 278.308 0.446 0 50 CCAA CCn1ncnc1CN1CCC[C@@H](CS(C)(=O)=O)C1 215103004 PZZOQMDWIGKTSN-LLVKDONJSA-N 286.401 0.555 0 50 CCAA CC1(C)C[C@H]1C(=O)NCC1CCN(S(N)(=O)=O)CC1 1506411961 VJOIUQWWYVBSKU-JTQLQIEISA-N 289.401 0.064 0 50 CCAA O=C(C[C@@H]1CC1(F)F)N(CCO)Cc1ncc[nH]1 1704312641 WKPNWBWLUBWQEF-MRVPVSSYSA-N 259.256 0.776 0 50 CCAA Cc1cc(C[C@@H]2CN(c3cc(C)nc(N)n3)C[C@H]2O)on1 1704358368 IPKUQAJPWWTISP-ZYHUDNBSSA-N 289.339 0.703 0 50 CCAA CCOCC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 110899340 QNTOZVRTQYKSHP-ZDUSSCGKSA-N 281.356 0.764 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)NCc1[nH]nc2ncccc12 1772812316 FVLRJFAEOUYLST-UHFFFAOYSA-N 286.295 0.554 0 50 CCAA Cc1nnc2n1C[C@H](CNc1nc[nH]c3ncnc1-3)C2 1772806658 DEPYVUGNPNDRPG-QMMMGPOBSA-N 270.300 0.489 0 50 CCAA CC(C)CCOC(=O)[C@H](C)Sc1n[nH]c(=O)[nH]c1=O 13638514 FVDCOFYVXQMGHN-ZETCQYMHSA-N 287.341 0.528 0 50 CCAA CCc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)o1 19634063 NEVMKZJIDWSCRX-GJZGRUSLSA-N 280.368 0.719 0 50 CCAA O=C(c1cnn(Cc2ccccc2)c1)N1C[C@H](O)CO1 1857682074 HEBTWJVGCCJVLP-ZDUSSCGKSA-N 273.292 0.680 0 50 CCAA CCC1=NO[C@H](CN2CCC3(CC2)CNC(=O)CCO3)C1 1857708544 YWNXSMCTOCIJFL-ZDUSSCGKSA-N 295.383 0.912 0 50 CCAA CO[C@@H]1C[C@@H](C(=O)N2CCn3nc(C)cc3C2)CC[C@H]1N 1857725777 MLFAEWKSGZQWOA-IACUBPJLSA-N 292.383 0.676 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1ccncc1C 643764113 OULURBQPCAIBAF-CQSZACIVSA-N 263.341 0.856 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccn4)C(=O)[C@H]13)O2 239433446 XSEHIJHACSPQOL-FJJYHAOUSA-N 286.287 0.448 0 50 CCAA in-vitro NCCn1cc(C(=O)N[C@@H]2CCc3c(F)cccc32)nn1 566508751 YTIBLHRVDRAVDL-GFCCVEGCSA-N 289.314 0.793 0 50 CCAA CCN(CC)C[C@H](O)CN1C(=O)NC(C)(C)C1=O 112246 NVZJRQFSGFQQHN-VIFPVBQESA-N 257.334 0.020 0 50 CCAA Cc1nccc(CCC(=O)N=c2cc3n([nH]2)CCC3)n1 1875274567 JMOJLYINUDRWGN-UHFFFAOYSA-N 271.324 0.921 0 50 CCAA CN(C)C/C=C/C(=O)N(C)CCN1CC2(CCOCC2)C1 1875377026 QCCQNCOTQXEDFC-SNAWJCMRSA-N 295.427 0.675 0 50 CCAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ncc[nH]1 1875403731 ZNCONLSLECLCGP-GMTAPVOTSA-N 275.312 0.176 0 50 CCAA O=C(Cn1cncn1)N1CCC[C@@H](C2CCOCC2)C1 886144026 PADKOTWKNFTRGU-CYBMUJFWSA-N 278.356 0.943 0 50 CCAA O=C(C[C@H]1CCCO1)N1CCCC[C@@H]1Cc1nn[nH]n1 1775987583 DXWQQGFWKMWXTG-GHMZBOCLSA-N 279.344 0.692 0 50 CCAA O=C([C@H]1CCCCN1)N1CCC[C@H](n2cncn2)C1 158812460 HVCPRUIUAFEKIZ-NWDGAFQWSA-N 263.345 0.584 0 50 CCAA O=C(c1cccnc1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 262434824 SCONFWYTGJHYJZ-SMDDNHRTSA-N 276.292 0.645 0 50 CCAA O=C(O)CCC(=O)NC[C@]1(c2ccccc2)CCC(=O)N1 2325788893 PSXTUBQDURXSSJ-HNNXBMFYSA-N 290.319 0.773 0 50 CCAA O=C(C(F)F)N(Cc1ccccc1)Cc1nn[nH]n1 2325808059 ZNWFFFVVVQZUHZ-UHFFFAOYSA-N 267.239 0.994 0 50 CCAA CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C 334545 WSNLIQWJJJKFIR-UHFFFAOYSA-N 254.315 0.726 0 50 CCAA COCc1ccc(C(=O)N2CCS(=O)(=O)CC2)s1 102547722 YCIUHWPMFTVAAF-UHFFFAOYSA-N 289.378 0.765 0 50 CCAA C[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 229654140 KXXXXWSTXRLURV-AXFHLTTASA-N 290.385 0.288 0 50 CCAA COC(C)(C)CC(=O)N1CCOC[C@H]1CC(=O)O 230927667 BPNMXEHACGXLMQ-SECBINFHSA-N 259.302 0.504 0 50 CCAA Cc1cc(=O)c(C(=O)NC[C@@H](C)N2CCCCC2=O)c[nH]1 332720349 CPNBLCQSCIOYKW-LLVKDONJSA-N 291.351 0.814 0 50 CCAA NC(=O)c1cncc(NCC2(CO)CCCC2)n1 302280392 UPNLDRYNYDNMLF-UHFFFAOYSA-N 250.302 0.540 0 50 CCAA CC[C@H](C(=O)N1CC[C@@](C)(NCC(=O)O)C1)N(CC)CC 328621723 ARBLAURKACKRLY-IUODEOHRSA-N 299.415 0.772 0 50 CCAA CC(C)(C(=O)N1[C@H]2CC[C@H]1CC(O)=NC2)N1CCOCC1 328675423 KPSAOAIBXPWAAE-RYUDHWBXSA-N 295.383 0.817 0 50 CCAA CC(C)c1cc(N2CCS(=O)(=O)CC2)nc(N(C)C)n1 441813313 JLBZGWRBAMLFTK-UHFFFAOYSA-N 298.412 0.901 0 50 CCAA CCS(=O)(=O)N(CC(=O)O)c1ccc2c(c1)OCO2 76800985 DXUOWCWFXYSIGZ-UHFFFAOYSA-N 287.293 0.656 0 50 CCAA O=C(COc1ccc2c(c1)OCO2)N1CCOC[C@H](O)C1 77556069 NINQNRUNXRTACQ-SNVBAGLBSA-N 295.291 0.014 0 50 CCAA O=C(C(=O)N1CC[C@@]2(CCOC2)C1)N1CC[C@H](C2CC2)C1 336282178 CLUKIIGKKJCNHK-XJKSGUPXSA-N 292.379 0.884 0 50 CCAA CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](N)C1 157947635 PLCPYZJTMAZNMN-SNVBAGLBSA-N 282.365 0.653 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C[C@H]2CCOC2)CC1=O 241401125 NBJRRORSGUUIDF-KKOKHZNYSA-N 266.341 0.539 0 50 CCAA CCN1CCN(C(=O)c2ccncc2O)[C@H](C)C1=O 222297040 VKIILHUGKBTEDM-SECBINFHSA-N 263.297 0.480 0 50 CCAA COCCNC(=O)[C@@H](c1ccccc1)n1cnnn1 40266592 DVAVYMKNERNNJT-LLVKDONJSA-N 261.285 0.025 0 50 CCAA CCc1ccc(C(=O)N2CCOC[C@H]2CC(=O)O)[nH]1 222388271 NRIMXVOKHLMVEG-SNVBAGLBSA-N 266.297 0.893 0 50 CCAA CCO[C@@]1(C)C[C@H]1NC(=O)c1nc(O)nc(O)c1OC 529855867 PPUWFHLDYDXERB-INWYIAFRSA-N 283.284 0.194 0 50 CCAA Cc1cccc2nc(CCNC(=O)c3cncc(=O)[nH]3)[nH]c12 426612511 FBELBCHTIMKONX-UHFFFAOYSA-N 297.318 0.927 0 50 CCAA Cn1c(=O)cc(C(=O)NCCc2cnn[nH]2)c2ccccc21 426478026 OORDMRXVDPCFTM-UHFFFAOYSA-N 297.318 0.629 0 50 CCAA C[C@H]1CN([C@H](C)c2ncnn2CCO)C[C@@H](C)O1 91859745 XOCWJONMGQTSGX-OUAUKWLOSA-N 254.334 0.441 0 50 CCAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O 146755613 KDAHZWKHYACWHQ-BIMULSAOSA-N 276.336 0.964 0 50 CCAA biogenic,in-vitro CO[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1nnc[nH]1 294149612 HGSZPHLGZOSGRN-ZJUUUORDSA-N 267.333 0.904 0 50 CCAA CCc1c(C)nc(N)nc1N1CCN(CCCO)CC1 95355632 MKAVQOWUCACQAA-UHFFFAOYSA-N 279.388 0.434 0 50 CCAA Cn1nc(C(=O)O)c2c1CCN([C@H]1CCSC1)C2 534651109 WOPFHSMYOMDYIQ-QMMMGPOBSA-N 267.354 0.982 0 50 CCAA O=C(CCC(F)(F)F)N[C@H]1COC[C@@H]1N1CCOCC1 534633622 SDIXVWXIMFALJL-UWVGGRQHSA-N 296.289 0.545 0 50 CCAA CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CC23CC3)CC1 622339586 ZLOOSGJDQITLJT-NSHDSACASA-N 286.397 0.574 0 50 CCAA CCCn1cc(NC(=O)N(C)[C@@H]2CCN(C)C2)nn1 299790241 BMMJTSLKHAUHKN-SNVBAGLBSA-N 266.349 0.856 0 50 CCAA O=C1CCC(C(=O)N2CC[C@@H](Oc3ccccc3)C2)=NN1 299787441 LZDBSXCGZDCSOM-GFCCVEGCSA-N 287.319 0.932 0 50 CCAA CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O 585661718 SOLBCJOTDKNCES-NSHDSACASA-N 294.307 0.892 0 50 CCAA CN1C[C@H](CNC(=O)c2ccc3ncccc3c2)OCC1=O 670459506 ZPYWMWPYQAJNEB-ZDUSSCGKSA-N 299.330 0.822 0 50 CCAA COc1ccc([C@H](N)CC(=O)NCCO)cc1OC 584888410 CVJXTDDXAQBJPR-SNVBAGLBSA-N 268.313 0.202 0 50 CCAA Cc1nccc(N2CCN(CCO[C@@H]3CCOC3)CC2)n1 1548453492 HXTBYOFCTWJJFO-CQSZACIVSA-N 292.383 0.713 0 50 CCAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)c1ccsc1 1565511991 PFBHQCZCMMBIEW-UWVGGRQHSA-N 285.321 0.737 0 50 CCAA CCCn1cnnc1CNCc1c(C)nn(CCO)c1C 952964254 OYGXJXWAVGNKCQ-UHFFFAOYSA-N 292.387 0.784 0 50 CCAA Cc1cc(N)n(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)n1 952981513 ZOAWNCUDTKTXMY-URLYPYJESA-N 264.329 0.288 0 50 CCAA CCN1C[C@H](C(=O)N[C@@]2(C)CCO[C@H]2C)CC1=O 408181936 GPPLISAKEWPCKR-CWSCBRNRSA-N 254.330 0.539 0 50 CCAA N[C@H]1[C@H]2CC[C@@H]1CN(CC[C@@H]1CCS(=O)(=O)C1)C2 885939047 OUTHWYXWXKTEEG-FVCCEPFGSA-N 272.414 0.480 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)[C@@H]2CCCOC2)C1 630251271 FWUIMMDRZWNFHL-BXKDBHETSA-N 257.286 0.115 0 50 CCAA CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](C)O 170624193 AHMOTWXUURDDEM-QMMMGPOBSA-N 295.343 0.016 0 50 CCAA COc1ccc(O)cc1C(=O)N1CCCNC(=O)[C@@H]1C 188077733 WUMKYVLYRVNLPE-VIFPVBQESA-N 278.308 0.751 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)CCOCC(F)(F)F 188845185 SSXUUPANVGHPCG-QMMMGPOBSA-N 282.262 0.692 0 50 CCAA COC(=O)[C@H](NCc1nc2ccccc2n1C)[C@@H](C)O 191015434 DUHTVVDKPVFWKU-NOZJJQNGSA-N 277.324 0.585 0 50 CCAA CN(C)c1ccc([C@@H]2CCCN2Cc2nc(O)n[nH]2)nn1 643730824 CHOZQJFWGUEMBA-JTQLQIEISA-N 289.343 0.703 0 50 CCAA Cn1cc2c(n1)CCC[C@@H]2N=c1nc(O)c2cnn(C)c2[nH]1 572463949 DPKNJJZFRRDYKA-JTQLQIEISA-N 299.338 0.714 0 50 CCAA O[C@@]1(Cn2ccnn2)CCN(Cc2ccc3c[nH]nc3c2)C1 671492979 PXPZPOGCZOFIRG-HNNXBMFYSA-N 298.350 0.791 0 50 CCAA Cc1cccc(NC(=O)NCC(C)(CO)CO)n1 585086516 YFUANEBFCDAODJ-UHFFFAOYSA-N 253.302 0.502 0 50 CCAA CC(C)c1ccsc1C(=O)NCC(=O)NCC(=O)O 585138255 ZCFOXVZQJSKHBN-UHFFFAOYSA-N 284.337 0.802 0 50 CCAA CC[C@@H](CO)Sc1nnnn1C[C@@H]1CCCO1 585138698 IMXBNDRGKDOGFV-IUCAKERBSA-N 258.347 0.715 0 50 CCAA Cn1nc(C2CC2)cc1S(=O)(=O)N1C[C@@H]2CC[C@@]2(N)C1 1615057477 HJQDFFIQIGSZRT-GXFFZTMASA-N 296.396 0.409 0 50 CCAA O[C@H]1CNCC[C@@H]1CNC1CSCCSC1 1615718423 DOGSSPGYSSYTAY-KOLCDFICSA-N 262.444 0.395 0 50 CCAA CSCC(=O)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1615964765 XVMVNCSZXIURGG-ONGXEEELSA-N 267.354 0.201 0 50 CCAA Cc1cnc(C)c(N2CCc3c(c(C(N)=O)nn3C)C2)n1 1506419573 FXAGOOJPDATRLY-UHFFFAOYSA-N 286.339 0.489 0 50 CCAA Cn1c(=O)c2[nH]c(NCc3cccs3)nc2n(C)c1=O 1409284 NXTGUIARUDAJOG-UHFFFAOYSA-N 291.336 0.634 0 50 CCAA O=S(=O)(NCc1ccccc1)N1CCOCC1 4867680 GZSBVLGNWOCXLC-UHFFFAOYSA-N 256.327 0.353 0 50 CCAA OC[C@@H]1C[C@H](F)CN1Cc1nnnn1CC(F)(F)F 332647415 BYUUIPYSVXCRTM-BQBZGAKWSA-N 283.229 0.140 0 50 CCAA NCc1cc(C(=O)N[C@H]2CCCC[C@@H]2CO)ccn1 231793510 GNSMQUYEAMHWGX-YPMHNXCESA-N 263.341 0.821 0 50 CCAA CN1C[C@@H](CN2CCOC3(CCNCC3)C2)CCC1=O 1775983063 HDRYZKPWIJQBNI-ZDUSSCGKSA-N 281.400 0.309 0 50 CCAA Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)O)=C2)cc1 12848384 PQRGDYSTIDDYQI-UHFFFAOYSA-N 280.305 0.943 0 50 CCAA CCN(CC)c1ncccc1CNC(=O)Cn1cncn1 19143544 PSXSXQZDXUHPCZ-UHFFFAOYSA-N 288.355 0.836 0 50 CCAA C[C@@H]1CCN[C@@H](C(=O)Nc2cc(C(N)=O)n(C)c2)C1 335627383 QQBDWNIAQZYYRV-PSASIEDQSA-N 264.329 0.451 0 50 CCAA CNC(=O)[C@H]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2O)C1 408082863 ZCIYMNGDSTWXKR-RWMBFGLXSA-N 282.384 0.912 0 50 CCAA CC[C@H](C(=O)N1CCC[C@H](CN2CCOCC2)C1)N(C)C 125207513 DSJBQBKSBMDCKV-HUUCEWRRSA-N 297.443 0.897 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 239415453 UMRDXBPZTJBZPP-FJJYHAOUSA-N 286.287 0.448 0 50 CCAA in-vitro C[C@H](c1ccccn1)N(C)C(=O)C1=NN2CCCN=C2N1 673925992 VKNMGKUODZTAQG-SNVBAGLBSA-N 286.339 0.579 0 50 CCAA Cc1n[nH]cc1CNC(=O)c1cccn2c(O)nnc12 357352705 ZFKVNJXQAIOWHY-UHFFFAOYSA-N 272.268 0.396 0 50 CCAA Cn1cc(C2=CCCN(S(=O)(=O)c3ncc[nH]3)C2)cn1 907364056 DNAQDEGIMUINKI-UHFFFAOYSA-N 293.352 0.621 0 50 CCAA Cc1nn(CC2OCCO2)c(C)c1[C@@H]1COCCN1C 852963076 ORIAWXWYDNSOLC-LBPRGKRZSA-N 281.356 0.876 0 50 CCAA C[C@@]1(CO)COCCN1Cc1cn(-c2ccccc2)nn1 1875260884 ZDYYUCFHQBNGFO-OAHLLOKOSA-N 288.351 0.851 0 50 CCAA CN1CC[C@@H](CNC(=O)c2cc(O)nc(C3CC3)n2)C1=O 1875271753 MMJGYSKJZKZPST-VIFPVBQESA-N 290.323 0.268 0 50 CCAA CC(=O)N(C)CC1=Nc2ccccc2S(=O)(=O)N1 1875321661 QGEXWQQEJQFAMD-UHFFFAOYSA-N 267.310 0.487 0 50 CCAA CNC(=O)[C@H]1CCCN(c2nc3ccncc3n2C)C1 1875305270 OGRXQONLFFBUMU-JTQLQIEISA-N 273.340 0.931 0 50 CCAA C[C@H](CO)CNC(=O)Nc1n[nH]c(C(F)(F)F)n1 1776006385 VFFOEDXVBACSOB-BYPYZUCNSA-N 267.211 0.573 0 50 CCAA C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1CCC[C@@H](N)C1 251568015 BOPFGNTUINZERI-NOOOWODRSA-N 267.373 0.616 0 50 CCAA Cn1c(CN)nnc1SCCCn1cccn1 426386844 CVHFPEBGRRCEEB-UHFFFAOYSA-N 252.347 0.653 0 50 CCAA O=C(NCCc1cnn[nH]1)C1Cc2ccccc2C1 426712223 UTJOPRREIPSXDQ-UHFFFAOYSA-N 256.309 0.878 0 50 CCAA Clc1ccc(-c2nnn(Cc3nnn[nH]3)n2)cc1 12374768 RHDADGKKYHETDZ-UHFFFAOYSA-N 262.664 0.555 0 50 CCAA Cn1c(=O)c2c(nc(S)n2CC2CC2)n(C)c1=O 100104400 HFVIHTQZNWZYQZ-UHFFFAOYSA-N 266.326 0.132 0 50 CCAA biogenic CCc1nc(CCNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)no1 426641411 BJDRVMZCCRYFNH-DTWKUNHWSA-N 281.312 0.792 0 50 CCAA COc1cc(S(=O)(=O)NC[C@H](C)O)c(C)cc1C 32498328 CQNAZXNDPDMCCM-JTQLQIEISA-N 273.354 0.971 0 50 CCAA O=C(CCNc1n[nH]c(=O)[nH]c1=O)OCc1ccccc1 139195 OMABOEKNEXJCEK-UHFFFAOYSA-N 290.279 0.004 0 50 CCAA CCC[C@]1(C(=O)O)CCN(Cc2cnc(=N)[nH]c2)C[C@H]1O 2356142402 QMHXWEKXYOXEMY-RISCZKNCSA-N 294.355 0.327 0 50 CCAA COC[C@@]12COC[C@@H]1CN(c1cc(OC)nc(OC)n1)C2 2356153151 UMJWPKNAXWBKBO-HZMBPMFUSA-N 295.339 0.593 0 50 CCAA Cc1nc(N2C[C@@H]3OCCN(C)[C@H]3C2)nc(C)c1C 2356161523 YJBQLMKWNPEVEK-STQMWFEESA-N 262.357 0.921 0 50 CCAA Cc1ccc(C(N)=O)cc1S(=O)(=O)N1CCCC1 4867189 XCOBNZIECDHNFC-UHFFFAOYSA-N 268.338 0.878 0 50 CCAA CC(=O)N[C@H](C(=O)NCc1c(C)n[nH]c1C)C(C)C 103271355 CYHWGTPGIVYAHT-LBPRGKRZSA-N 266.345 0.803 0 50 CCAA C[C@H]1CC(=O)c2cnc(NCCN3CCOCC3)nc2C1 20101117 APGOYVKMUOUMSU-LLVKDONJSA-N 290.367 0.986 0 50 CCAA COc1cccc(N([C@@H](C)C(N)=O)S(C)(=O)=O)c1 65365360 FTZGUAWDAJIYBI-QMMMGPOBSA-N 272.326 0.335 0 50 CCAA C[C@]1(NC(=O)Nc2ccc(C(N)=O)nc2)CCOC1 119093568 KBLAZZNHQICIII-LBPRGKRZSA-N 264.285 0.481 0 50 CCAA Cn1ccnc1CNc1nccc(-c2ncnn2C)n1 23214065 BHFGUCMLBXRWBV-UHFFFAOYSA-N 270.300 0.618 0 50 CCAA C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)[C@@H]1CCOC1 353099070 UQRRFUCLRZVNMY-FRRDWIJNSA-N 290.429 0.815 0 50 CCAA CC(=O)Nc1cccc(N2C[C@H](C(N)=O)CC2=O)c1 33359511 AWKYANAREOXKMN-SECBINFHSA-N 261.281 0.483 0 50 CCAA C[C@H](NC(=O)Cn1ncc2ccccc21)c1nc(=O)[nH][nH]1 215124405 FXTGNDZHBAUQKC-QMMMGPOBSA-N 286.295 0.325 0 50 CCAA CCc1nc2c(N3CC[C@H](CO)[C@H](O)C3)ncnc2o1 72128174 GAHWXVUDAMPCPR-RKDXNWHRSA-N 278.312 0.360 0 50 CCAA Cc1cncc(CN2CCO[C@H](CN(C)CC(N)=O)C2)c1 282018039 KBYVKVNTCVRHBU-CQSZACIVSA-N 292.383 0.008 0 50 CCAA CCOC1CN(C(=O)N[C@@H]2CC(=O)N(CC)C2)C1 331769660 LIUKICNQOXLJPD-SECBINFHSA-N 255.318 0.038 0 50 CCAA C[C@@H]1C[C@H](NS(=O)(=O)c2cccnc2)CN1C1CC1 126202315 NAMRRCDMOSLVKT-MNOVXSKESA-N 281.381 0.985 0 50 CCAA CCn1cc(CN2CCCn3nc(CO)cc3C2)cn1 219350651 BOBBNBLLWDBGGC-UHFFFAOYSA-N 275.356 0.998 0 50 CCAA CCNC(=O)C1(NC(=O)[C@@H]2CCCOC2)CCCC1 241693955 QJCQUDCETLODMA-LLVKDONJSA-N 268.357 0.978 0 50 CCAA NCC(=O)N1CCC[C@H](CN2CCO[C@H](C3CCC3)C2)C1 333133204 IDUDIIRNGVHKCZ-HIFRSBDPSA-N 295.427 0.685 0 50 CCAA Cc1ccoc1C(=O)N1CCNC[C@@H]1C(=O)NC1CC1 72156552 NJNVKZBTQKROJG-LLVKDONJSA-N 277.324 0.281 0 50 CCAA C[C@H]1CN(C[C@@H]2CCCN2C(=O)CCN)C[C@@H](C)O1 237675552 GWECDHHUUJRMAP-XQQFMLRXSA-N 269.389 0.435 0 50 CCAA O=C(NC1CCC1)N1CCC[C@H](N2CCNC2=O)C1 372614984 XCQRAHNACNAPKC-NSHDSACASA-N 266.345 0.738 0 50 CCAA O=S1(=O)CCC[C@H](CNc2ncnc3[nH]ncc23)C1 287222109 NIEGNBSQCXGIRB-MRVPVSSYSA-N 281.341 0.590 0 50 CCAA Cc1nc(C2CC(O)C2)cc(N(C)CCCO)n1 220292152 CIXWBPZSDHOFRA-UHFFFAOYSA-N 251.330 0.842 0 50 CCAA Cc1nn(C)c(C(=O)NCc2nnc(N)s2)c1Cl 426387102 NQIXDFOUBABOBE-UHFFFAOYSA-N 286.748 0.746 0 50 CCAA CN(C)C[C@@H]1CN(C(=O)c2conc2C2CC2)CCO1 290427631 HPSMBDOMQXSNBI-LLVKDONJSA-N 279.340 0.955 0 50 CCAA COc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)c(OC)n1 82092721 WSIHCZYUOQFTCZ-IUCAKERBSA-N 283.303 0.529 0 50 CCAA CC[C@H](NC(=O)CN1CCN(C)C1=O)c1nc(C)no1 426358205 GABGIIYQDFRQDA-VIFPVBQESA-N 281.316 0.313 0 50 CCAA COCCc1noc([C@H]2CC(=O)N(C3CC3)C2)n1 96133116 DXXHLXCXKDWXOK-QMMMGPOBSA-N 251.286 0.737 0 50 CCAA NC[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 95743343 AEEKQDZDDCUGNU-ZDUSSCGKSA-N 250.298 0.719 0 50 CCAA O=C(NCCc1c[nH]cn1)c1cnc(N2CCCC2)nc1 97635036 RIHISYGJVBSVJR-UHFFFAOYSA-N 286.339 0.772 0 50 CCAA CN(Cc1nnc(O)o1)C(=O)[C@@H]1C[C@H]1c1cccnc1 622114927 BQNDDSPIBQKRAY-VHSXEESVSA-N 274.280 0.932 0 50 CCAA Cc1nonc1CN1CCCN(C)C2(CCNCC2)C1 534637701 CWXDIWLVJIGRFI-UHFFFAOYSA-N 279.388 0.638 0 50 CCAA CC(C)[C@H](NS(=O)(=O)N(C)C)c1nccn1C 534658838 YTZWFLUKNPOMKK-VIFPVBQESA-N 260.363 0.513 0 50 CCAA CC[C@H](CN=c1nc(N(C)C)[nH]s1)N1CCOCC1 534662458 JDYPFNNJWPGJFJ-SNVBAGLBSA-N 285.417 0.549 0 50 CCAA O=C(Cc1cccc(F)c1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 659776550 KREZOPUETLTFOH-IAQYHMDHSA-N 293.294 0.928 0 50 CCAA O=C(CCC(=O)Nc1nncs1)NC[C@@H]1CCCCO1 827814604 CMEXXZMCNJHPIJ-VIFPVBQESA-N 298.368 0.942 0 50 CCAA CN1CC(=O)N(CC(=O)N2CC[C@H]2c2cccs2)C1=O 823748562 ZBFDQOAHQQXPNB-VIFPVBQESA-N 293.348 0.916 0 50 CCAA CC(C)(CN1CCCC1)NC(=O)c1cc(O)nc(O)n1 584889576 BKLUAEXQSOPHPX-UHFFFAOYSA-N 280.328 0.492 0 50 CCAA Cc1cc(C(=O)NCCN2CCC[C@@H](CO)C2)c(O)cn1 584896990 NTVNSNKKLROZSS-GFCCVEGCSA-N 293.367 0.530 0 50 CCAA COc1nc(NC[C@@H]2CN(C)CCO2)ncc1F 670473400 DPWJNBDGMJTSTH-MRVPVSSYSA-N 256.281 0.367 0 50 CCAA NCc1ccc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)c(F)c1 1553505058 KBSASWIEKHBZET-WFASDCNBSA-N 292.358 0.917 0 50 CCAA Cc1ncc(C(=O)NCCc2nnc(N)s2)cn1 952873941 SFQATPTZEBAPGI-UHFFFAOYSA-N 264.314 0.191 0 50 CCAA CNC(=O)c1ccccc1NS(=O)(=O)N1CCOCC1 268760782 HCGROVZZBBOZDH-UHFFFAOYSA-N 299.352 0.035 0 50 CCAA C[C@@H](O)[C@H]1CN(C(=O)Cc2cnn3c2CCCC3)CCO1 633447743 ZNQRKKZBAWMNSK-BXUZGUMPSA-N 293.367 0.370 0 50 CCAA COC(=O)c1ccc(C(=O)NOCC(C)(C)O)o1 278555476 HIVJEFFCVMYRSK-UHFFFAOYSA-N 257.242 0.499 0 50 CCAA O=C(CCc1ccncn1)N1CCN2CCC[C@H]2C1 192350106 QIETXWGGPCLWLB-ZDUSSCGKSA-N 260.341 0.716 0 50 CCAA Cc1cnc2nc(C(=O)N[C@H](C)[C@@H](C)C(=O)O)nn2c1 581261091 IKUWEELXFVEEPU-HTQZYQBOSA-N 277.284 0.272 0 50 CCAA CCOC(=O)[C@H](NC(=O)c1cccnc1)c1cnn(C)c1 585089420 LPCQBKMCCJKCQO-GFCCVEGCSA-N 288.307 0.849 0 50 CCAA COc1ccc(Cl)cc1[C@H](C(=O)O)N(C)CC(N)=O 1506431523 NPXRMKPSMSKZLE-LLVKDONJSA-N 286.715 0.891 0 50 CCAA CCNC(=O)[C@@H]1CCN(c2nc(N)nc(C)c2Cl)C1 1506421763 JOUUSFPQVZJSDJ-MRVPVSSYSA-N 283.763 0.983 0 50 CCAA Cc1nc(C)c(C(=O)N(CCO)Cc2ncc[nH]2)o1 1704331670 RRQKUKBVPNBOBV-UHFFFAOYSA-N 264.285 0.649 0 50 CCAA Cc1nc(C)c(CC(=O)N2CC[C@](C)(O)[C@H](O)C2)s1 247984643 YUHYKNHZHCKEBK-YPMHNXCESA-N 284.381 0.647 0 50 CCAA O=C(O)[C@H]1CN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CCO1 250810321 DDNGUQQKJWRPII-YTWAJWBKSA-N 253.298 0.735 0 50 CCAA CCc1nc(=NC[C@@H]2CCN(C)C(=O)C2)s[nH]1 566136721 GMJPXGRQGQNJIH-MRVPVSSYSA-N 254.359 0.803 0 50 CCAA CCN(C[C@@H](O)COc1ccccc1)S(=O)(=O)O 16667265 CCBRZJBAAKXFGU-SNVBAGLBSA-N 275.326 0.551 0 50 CCAA Cn1nccc1[C@@H]1[C@H](C(=O)O)CCC(=O)N1C1CC1 159895443 NPNXGLHTMSDKNU-SKDRFNHKSA-N 263.297 0.947 0 50 CCAA NC(=O)COc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1 347399215 PCIISQOIMCXSLJ-QWRGUYRKSA-N 296.298 0.096 0 50 CCAA Cc1cncc(CN2CCO[C@@H](Cn3ccnn3)C2)c1 639857500 MRIRHUFVGIUMBE-CQSZACIVSA-N 273.340 0.883 0 50 CCAA Nc1cc(-c2ccc(=O)[nH]n2)ccc1N1CCOCC1 20096273 VLQDTNBOMUHYPM-UHFFFAOYSA-N 272.308 0.856 0 50 CCAA CC(=O)N1CCOC[C@H]1C(=O)Nc1nc(C)ccc1O 368348393 ZDCVUHDUDJNGTP-JTQLQIEISA-N 279.296 0.281 0 50 CCAA CC[C@@H](OC)C(=O)N1CCN(c2cnn(C)c2)CC1 266820241 UQHMGOHSPKTPAV-GFCCVEGCSA-N 266.345 0.494 0 50 CCAA COc1ccc(CN2C[C@H]3COC[C@@H]2CN(C)C3)cn1 1704315240 YIKWNZTYXQQROP-KBPBESRZSA-N 277.368 0.853 0 50 CCAA COCn1cc(NC(=O)c2cnn(CCN(C)C)c2)cn1 910627359 KEPVCUPQGIDPQG-UHFFFAOYSA-N 292.343 0.497 0 50 CCAA Cc1nn(CC(=O)Nc2cc(F)cc(F)c2O)c(=O)n1C 910987220 QQWYTYYPQHUGSL-UHFFFAOYSA-N 298.249 0.513 0 50 CCAA Cc1noc(-c2ccc(N3CC(=O)N[C@@H](C)C3)nc2)n1 829000960 JNPCFVYQTZANNK-QMMMGPOBSA-N 273.296 0.765 0 50 CCAA COCc1ccc(C(=O)NC/C=C/C(=O)OC)[nH]1 1875333254 LBHZDACMLLEQNH-ONEGZZNKSA-N 252.270 0.620 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cn([C@@H]2CCOC2)nc1C 1875312020 RBYQDAKJFRPKNG-PGLGOXFNSA-N 293.323 0.612 0 50 CCAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ncc[nH]1 886996059 SFFKGJGDMMJBIA-RKDXNWHRSA-N 251.286 0.070 0 50 CCAA CC(C)[C@H]1N(C)C[C@]12C[C@@H](O)[C@H](NS(C)(=O)=O)C2 888098716 KIYWBHNTNWSRMP-KKOKHZNYSA-N 276.402 0.015 0 50 CCAA Cn1cc(CCCNC(=O)[C@@H]2C[C@@H]2C(=O)O)cn1 268910114 MRTBYBHWEOGBHH-ZJUUUORDSA-N 251.286 0.190 0 50 CCAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CC[C@@]2(CCOC2)C1 195543665 HGNMJLQALQEHHA-XOBFJNJYSA-N 264.369 0.999 0 50 CCAA C[C@@H](C(=O)NC(C)(C)C)N1CCN(C2CC2)C(=O)C1 407966085 MJGKDEBAFUITME-JTQLQIEISA-N 267.373 0.596 0 50 CCAA CN(C[C@@H]1COCCO1)C(=O)CC1CCNCC1 534637804 NKMMWFDQZJMOJN-GFCCVEGCSA-N 256.346 0.250 0 50 CCAA O=C(O)[C@H]1C[C@H]1C(=O)NCc1nccc(C(F)(F)F)n1 634842001 DFPWNNMBAYIQAO-RITPCOANSA-N 289.213 0.832 0 50 CCAA CCNc1ncc(C(=O)N(C)C[C@@H]2COCCO2)cn1 91452057 PLZDVWCNRKNBDI-LLVKDONJSA-N 280.328 0.396 0 50 CCAA COCC[C@@H]1CCCN(CC(=O)N2CCNCC2)C1 670474114 BVTQDNFDACXZGO-ZDUSSCGKSA-N 269.389 0.167 0 50 CCAA CC(C)[C@H](C(=O)N1CCC(C(=O)O)CC1)n1cnnc1 2325795996 KVTWWKVYIWCUBU-LLVKDONJSA-N 280.328 0.798 0 50 CCAA O=C1COC2(CCNCC2)CN1Cc1ccccn1 109740241 FLSPBGQJDVITQS-UHFFFAOYSA-N 261.325 0.563 0 50 CCAA CCN1C(=S)N(CC)[C@]2(O)C(=O)c3ccccc3[C@@]12O 322109 AWXQUUFLRKRMNZ-KBPBESRZSA-N 292.360 0.659 0 50 CCAA O=C(Cn1nnc2ccccc21)NCCN1CCCC1 383118 XZHZIRYPIAJOQV-UHFFFAOYSA-N 273.340 0.643 0 50 CCAA CN1C(=O)C(Cc2ccsc2)C(=O)N(C)C1=O 4535230 JESIRJGIXICFGL-UHFFFAOYSA-N 252.295 0.957 0 50 CCAA O=C([C@@H]1CCCO1)N1CCN(c2ccccn2)CC1 4749759 IGEAOEFDPIDREO-LBPRGKRZSA-N 261.325 0.909 0 50 CCAA COc1ccc(C(=O)Nc2c(N)nc[nH]c2=O)cc1 4938766 LVFBLAUEYLSCQD-UHFFFAOYSA-N 260.253 0.613 0 50 CCAA CN(CCS(C)(=O)=O)C(=O)[C@H]1CCCCCC[C@H]1N 225487525 HNADMRSETSDLAB-NWDGAFQWSA-N 290.429 0.787 0 50 CCAA C[C@H]1CN(C(=O)[C@@H]2CCOC2)CCN1C(=O)[C@H]1CCOC1 114156931 QHMDXGBJLWRIHZ-XQQFMLRXSA-N 296.367 0.119 0 50 CCAA CCc1noc(CNC(=O)c2c(C)nc3ncccn23)n1 20386368 YYMSBFJXRSSSQJ-UHFFFAOYSA-N 286.295 0.913 0 50 CCAA Cc1ccc([C@@H]2COCCN2CCN2C(=O)CNC2=O)o1 116895348 BHJTWBXQJXGAEH-NSHDSACASA-N 293.323 0.513 0 50 CCAA CC(=O)NCCNC(=O)c1ccc(CN(C)C)cc1 20536441 FHZGSBHAMQGHGH-UHFFFAOYSA-N 263.341 0.614 0 50 CCAA Cn1ccnc1-c1noc(C[C@H]2CCCS(=O)(=O)C2)n1 349669876 DOWACMBIIPKHIP-SECBINFHSA-N 296.352 0.837 0 50 CCAA CNC(=O)C1(c2nc(-c3cc(C(N)=O)c[nH]3)no2)CCC1 351029342 ZGZUOOKYBDQEFU-UHFFFAOYSA-N 289.295 0.331 0 50 CCAA Cn1nncc1CN[C@@H]1CCCN(c2cccnn2)C1 329308393 YULDZBCOYVODPY-LLVKDONJSA-N 273.344 0.364 0 50 CCAA CC(C)c1cc(C(=O)N[C@@H]2C[C@@H](CO)N(C)C2)on1 65396748 UOBSZPXLHWFCBA-ZJUUUORDSA-N 267.329 0.593 0 50 CCAA CCN1CCN(Cc2cc(C(=O)N3CC=CC3)no2)CC1 67724870 HTZZBODEDHYRAR-UHFFFAOYSA-N 290.367 0.824 0 50 CCAA NC(=O)[C@]1(O)CCCN(C(=O)c2cccc3[nH]ccc23)C1 314536012 JFUPFIQBJBGPFU-HNNXBMFYSA-N 287.319 0.620 0 50 CCAA C[C@@H](NS(=O)(=O)C1COC1)[C@@H](O)Cc1ccccc1 330205528 DNLHGGPPRIFSCN-MFKMUULPSA-N 285.365 0.297 0 50 CCAA CC[C@@H]1COCCN1C(=O)c1ccc(-n2cnnn2)cc1 172275513 DLIANLKRGJBZQN-GFCCVEGCSA-N 287.323 0.913 0 50 CCAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CNCCO1 72163416 JYUNVVMFUQKBGD-AWEZNQCLSA-N 292.383 0.625 0 50 CCAA CNC(=O)c1ccc(/C=C/C(=O)N2CCN[C@@H](C)C2)cc1 237174156 FYOQPDYUOPESQK-ZCRIDZFUSA-N 287.363 0.880 0 50 CCAA C[C@H]1CN(S(=O)(=O)N2CC[C@H](N)C[C@@H]2C)C[C@@H](C)O1 131811001 HMODCEXRBXPPOU-YFKTTZPYSA-N 291.417 0.152 0 50 CCAA Cc1nc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)n(C)n1 333865587 SREHRXDJNKQODU-LDYMZIIASA-N 263.345 0.336 0 50 CCAA COC[C@@H]1CCN(Cc2cc3n(n2)CCNC3)C1 72169929 HRJWBEZZPONXKM-LLVKDONJSA-N 250.346 0.455 0 50 CCAA C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1CC(=O)NC(N)=O 521396512 NYCSOAHSVRMNDN-NXEZZACHSA-N 299.371 0.766 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@H]2CCC[C@H]2F)c(=O)n1 336390454 LENFWESEUOFATR-MNOVXSKESA-N 267.304 0.867 0 50 CCAA O=C(NCCCc1nccs1)[C@H]1CCS(=O)(=O)C1 426519169 COKMFUAFGJFAMR-VIFPVBQESA-N 288.394 0.627 0 50 CCAA CC(C)S(=O)(=O)NC1=NCN(Cc2ccncc2)CN1 40387374 AMISQTLPGMPNQD-UHFFFAOYSA-N 297.384 0.086 0 50 CCAA C[C@@H](C(=O)NCc1csc(N(C)C)n1)N(C)C 426497116 YRRYMHWGNMYTKW-QMMMGPOBSA-N 256.375 0.775 0 50 CCAA NCc1nnc(SC[C@@H](O)CO)n1-c1ccc(F)cc1 426623176 FZDYJHSFSJSLJE-JTQLQIEISA-N 298.343 0.310 0 50 CCAA Cc1nc(C)n(CCNC(=O)[C@H]2CCCCCN2C)n1 95376218 PQHSQOUUCBPZCZ-CYBMUJFWSA-N 279.388 0.886 0 50 CCAA COc1ccc(-c2cn([C@@H]3C=CS(=O)(=O)C3)nn2)cn1 95384734 GZUBKXFMAUTGDI-SNVBAGLBSA-N 292.320 0.832 0 50 CCAA N[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](Cn3cncn3)C2)C1 299740100 VQOHVSJYNIFELU-YNEHKIRRSA-N 277.372 0.644 0 50 CCAA CC[C@@](C)(CC(=O)O)NC(=O)[C@H]1CSCN1C(C)=O 299748792 IEFPKEHJXRCGBB-SKDRFNHKSA-N 288.369 0.667 0 50 CCAA C[C@@H]1CCC[C@@H](OCC(=O)N2CCOC[C@@H]2C(=O)O)C1 299749259 JSINQIABTHJPHF-IJLUTSLNSA-N 285.340 0.894 0 50 CCAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@H]1CC[C@@H](O)CC1)C2 534655212 DWFRNKIHNOOSRS-VFDFPUOBSA-N 252.358 0.733 0 50 CCAA CC(C)[C@@H](NC(=O)CCc1nncn1C)c1ncnn1C 534667899 JKTAMPTXPBMKRC-GFCCVEGCSA-N 291.359 0.390 0 50 CCAA CCC[C@@H](NC(=O)C(=O)N1CCCC1)c1nccn1C 299799153 QWCHZTUTSNSOHI-LLVKDONJSA-N 278.356 1.000 0 50 CCAA CC(C)[C@H](NC(=O)c1cn(C)cn1)c1ncnn1C 299760530 VVROTQNWLZCBHF-JTQLQIEISA-N 262.317 0.676 0 50 CCAA CCOCCC(=O)N1CC[C@H](N2CCN(C)CC2)C1 584901415 ZZDDJELVYSAVBO-ZDUSSCGKSA-N 269.389 0.261 0 50 CCAA CC(=O)N1CCC[C@@H](Nc2nccnc2N(C)C)C1 820569312 BKDRBNAIYSXDFU-LLVKDONJSA-N 263.345 0.965 0 50 CCAA O=C1NCCn2ncc(I)c21 585139428 FBWMEEFHBCULFH-UHFFFAOYSA-N 263.038 0.231 0 50 CCAA CN1C[C@]2(CCN(Cc3ccoc3)C2)OCC1=O 670464105 JFRAUKVKEVZDCR-ZDUSSCGKSA-N 250.298 0.713 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2COCCO2)c2ccccc21 132005029 ASTPMQHGOSYHTI-PWSUYJOCSA-N 277.276 0.617 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)OC[C@]1(C(=O)O)CNC[C@H]21 1535541463 SPPSXSKRCLNVBL-TVQRCGJNSA-N 298.339 0.297 0 50 CCAA CCn1ncnc1CNCCN1CCCC[C@H]1CO 952972494 UXPRFQBKJIHWME-LBPRGKRZSA-N 267.377 0.234 0 50 CCAA O=S(=O)(c1ccc2nc[nH]c2c1)N1C[C@@H](O)[C@H](F)C1 952984487 UVFJOQMCHBMFKV-LDYMZIIASA-N 285.300 0.266 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)Cc1c(C)nc(C)nc1O 1565530572 YPKBZSSEFAFGAH-RYUDHWBXSA-N 295.339 0.262 0 50 CCAA CC(F)(F)CC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 408372457 CCUOXQXFJSNLTG-QMMMGPOBSA-N 284.328 0.429 0 50 CCAA COCCN1CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1=O 189926508 OKVZOEDZCBQKGK-NEPJUHHUSA-N 284.356 0.119 0 50 CCAA Cc1nnc(CNC(=O)[C@H](C(=O)O)C2CCCC2)n1C 663111569 WULPPCMGVPMEBC-LLVKDONJSA-N 280.328 0.631 0 50 CCAA CCNc1ncc(C(=O)N[C@H]2CCCCNC2=O)cn1 95379993 AENYCLZNYWAWFF-JTQLQIEISA-N 277.328 0.307 0 50 CCAA CC(C)(C)n1cc(CN2CC[C@](O)(c3cnn[nH]3)C2)cn1 794017496 WNBFKJWWCAPFRL-CQSZACIVSA-N 290.371 0.850 0 50 CCAA CNC(=O)[C@@H](C)NC(=O)c1ccc2cncn2c1C 1319989876 TVPXAISKCGOACS-MRVPVSSYSA-N 260.297 0.507 0 50 CCAA CCN(CCn1cccn1)C(=O)c1cncc(=O)[nH]1 1196158553 QNRLOWDJHVQWFH-UHFFFAOYSA-N 261.285 0.129 0 50 CCAA CN1CCC2(CC1)CN(c1n[nH]c(=N)s1)CCO2 1857674770 XOXFPFUWCCVMID-UHFFFAOYSA-N 269.374 0.252 0 50 CCAA NC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](C(=O)O)C2)C1 227059704 PDALWDGUHJWBKH-GARJFASQSA-N 282.340 0.601 0 50 CCAA CC1(C)C(CNC(=O)c2cnc(C(N)=O)cn2)C1(C)C 1772710029 QVJFPMZXDQIHBB-UHFFFAOYSA-N 276.340 0.988 0 50 CCAA COc1ccc(NC(=O)NN2CCN(C)CC2)cc1OC 5042080 VUGUJFCTTCTVEB-UHFFFAOYSA-N 294.355 0.988 0 50 CCAA COc1nc(N2CCNCC2)ncc1Br 12955362 IWAONNULVXFHMA-UHFFFAOYSA-N 273.134 0.657 0 50 CCAA CN1CCN(C(=O)c2ccc(O)nc2)C[C@H]1c1ncc[nH]1 328631100 QPAHZEJUJWSFSC-NSHDSACASA-N 287.323 0.639 0 50 CCAA Cc1nc2ccc(N3CC[C@@H]4CCN(C)C[C@H]43)nn2n1 253417023 ALHQEHRXOPWDEF-NWDGAFQWSA-N 272.356 0.963 0 50 CCAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cc[nH]c3)CC2)[C@H]1O 1704306926 XYHOHDLVNLHXOS-UONOGXRCSA-N 294.351 0.522 0 50 CCAA C=CC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 863971531 XOCMXHMNIYDDBI-SECBINFHSA-N 251.307 0.860 0 50 CCAA Cn1nnc(NC(=O)N2CCC[C@H](N3CCCC3)C2)n1 827928377 LFQCKOPZNILYGF-JTQLQIEISA-N 279.348 0.302 0 50 CCAA Cn1nc(O)cc1C(=O)N1CCC[C@@H](n2ccnn2)C1 1875293824 DIQONHNIFPJVGD-SECBINFHSA-N 276.300 0.195 0 50 CCAA O=c1ccn(C2CC2)c(=O)n1Cc1ccc2nonc2c1 1875281189 UOLDHJXISJIFCY-UHFFFAOYSA-N 284.275 0.929 0 50 CCAA C[C@H](ONC(=O)C1CC(=O)NC(=O)C1)c1ccncc1 1875298323 WYXNKUIAIRXBDO-QMMMGPOBSA-N 277.280 0.243 0 50 CCAA O=C(NS(=O)(=O)c1ccco1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875285729 XGDHHLAECMNVGH-BIIVNPBRSA-N 283.305 0.508 0 50 CCAA C[C@H]1CN(C(=O)[C@H]2Cc3ccc(O)cc3CN2)CCN1 1875338110 NVEDHSQVOAEENO-IINYFYTJSA-N 275.352 0.227 0 50 CCAA CN1CCC2(CC1)CN(c1cnc(C(N)=O)nc1)C2 1875388371 YORKTWBAEUGANI-UHFFFAOYSA-N 261.329 0.108 0 50 CCAA C=CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC(C)(C)C 1875371115 PIBLVRCCMBPJKY-JTQLQIEISA-N 281.356 0.194 0 50 CCAA O=C1C[C@@H](CNC(=O)N=c2nc(C3CC3)[nH]s2)CCN1 1875306753 OIDLODWVJPOECH-ZETCQYMHSA-N 295.368 0.485 0 50 CCAA Cc1c(CN2CCC[C@@](O)(c3cnn[nH]3)C2)cnn1C 886066061 UFQLWUQCUYSCQB-ZDUSSCGKSA-N 276.344 0.330 0 50 CCAA C=CC(=O)N[C@H]1CCN(S(=O)(=O)C(C)C)C[C@H]1C 1776000270 MCXTZHNTWCJMLC-MNOVXSKESA-N 274.386 0.737 0 50 CCAA NC(=O)[C@@H]1CC[C@H](C(=O)N2CC(OC(F)F)C2)C1 897495161 WXJDXROCDNPESK-RQJHMYQMSA-N 262.256 0.338 0 50 CCAA O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccnc1 100059393 AMIPRWQADJMDPA-QSFUFRPTSA-N 283.287 0.534 0 50 CCAA COc1cc(C(=O)N2C[C@H](O)C[C@@H]2C)cc(C)n1 407968698 UUCULZPPNSSJII-GXSJLCMTSA-N 250.298 0.994 0 50 CCAA COC(=O)c1ccc(OC)c(NS(C)(=O)=O)c1 4761532 GTUWALDPIDUBBV-UHFFFAOYSA-N 259.283 0.853 0 50 CCAA O=S(=O)(NC[C@H]1CCOCO1)c1ccc(F)cc1 2325746095 HXMRBOHBPMFDGX-SNVBAGLBSA-N 275.301 0.867 0 50 CCAA CN1C[C@@]2(C)CN(C(=O)[C@@H]3C4CCN3CC4)C[C@@]2(C)C1 2325811286 LMHVZIXYOZHYAO-CWRNSKLLSA-N 277.412 0.881 0 50 CCAA Cc1nc(C(=O)NC[C@H]2CCN2C2CCOCC2)no1 902980596 PBYZIHLLRHVBHT-LLVKDONJSA-N 280.328 0.361 0 50 CCAA O=C(CSc1ccccc1)Nc1c[nH]c(=O)[nH]c1=O 619462 LIHIIRBXBIPBFH-UHFFFAOYSA-N 277.305 0.794 0 50 CCAA CCOC(=O)C1CCN(C(=O)c2nc[nH]n2)CC1 711548 KHBMJZZUSLMAPP-UHFFFAOYSA-N 252.274 0.220 0 50 CCAA COc1cc2c(cc1-c1cc(O)nc(=N)[nH]1)OCO2 2356165461 AIDNOICAMKJSGV-UHFFFAOYSA-N 261.237 0.999 0 50 CCAA Cn1cnc2nc(N3CCC[C@]4(CNC(=O)O4)C3)ncc21 2356169694 WDWYOPTVSHZEKK-ZDUSSCGKSA-N 288.311 0.442 0 50 CCAA Cc1cccc(NC(=O)C(=O)NC[C@H](C)O)c1C 2870208 PLMVVVJYSIPEQP-VIFPVBQESA-N 250.298 0.739 0 50 CCAA CC(C)OC(=O)[C@H](C)Sc1nnc(O)[nH]c1=O 3878238 FNHCRHIDFFEOOZ-YFKPBYRVSA-N 259.287 0.303 0 50 CCAA Cn1cnc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 4906246 WVIPJYOTRZPIAR-UHFFFAOYSA-N 288.282 0.621 0 50 CCAA Cn1c(NC(=O)c2cccs2)cc(=O)n(C)c1=O 483698 CYTZPNCHOLYYRN-UHFFFAOYSA-N 265.294 0.398 0 50 CCAA Cn1c(=O)c2c(-c3ccco3)ccnc2n(C)c1=O 9306826 HAVKTTGWFAUEDF-UHFFFAOYSA-N 257.249 0.892 0 50 CCAA Cc1nnc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)s1 20427212 VAPZZJJGAHMFGS-YUMQZZPRSA-N 270.358 0.894 0 50 CCAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)cn2)C1 62870654 KOLHWBXNABZCJT-CQSZACIVSA-N 293.323 0.877 0 50 CCAA O=C([C@@H]1[C@@H]2CCCO[C@@H]21)N1CCC(c2nnc(O)o2)CC1 425329040 YSBCJCILMRTVAC-AXFHLTTASA-N 293.323 0.906 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C)C1 32580871 DENOICSLETVTPQ-WCBMZHEXSA-N 250.302 0.099 0 50 CCAA O=C(CCc1ccncn1)N[C@H]1CN(c2ccccc2)C1=O 253432778 NZSAONPWSXAFQA-AWEZNQCLSA-N 296.330 0.941 0 50 CCAA COC(=O)[C@@]1(CO)CCCN1C(=O)OC(C)(C)C 219059509 XUAIAMRZYGVUOP-LBPRGKRZSA-N 259.302 0.921 0 50 CCAA O=C(N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)C1(O)CCCC1 329814348 DCWXDFBBMNDQSN-XQQFMLRXSA-N 283.368 0.680 0 50 CCAA C[C@H](N)[C@@H]1CN(C(=O)CCC(F)(F)F)CCO1 122902141 DFQZXDHFNVZNGV-YUMQZZPRSA-N 254.252 0.904 0 50 CCAA Cn1ccnc1CN1CCC[C@H]1c1nc(=N)n(C)[nH]1 328894804 VXCVDBXLBMSKNN-VIFPVBQESA-N 261.333 0.298 0 50 CCAA CCOCCCNC(=O)[C@@H](C)N1CC[C@@](O)(C(F)F)C1 451439685 OGZUEPYBLIIKIC-MFKMUULPSA-N 294.342 0.620 0 50 CCAA Cc1cnc([C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)o1 331528322 FVJRCIMLHWMEPL-MRVPVSSYSA-N 289.295 0.339 0 50 CCAA CC(=O)N[C@H](CC(=O)N[C@@H](C)CN)c1ccc(F)cc1F 262532325 OGUCWTUAQWYYTC-ISVAXAHUSA-N 299.321 0.996 0 50 CCAA O=C(CS(=O)(=O)C1CC1)N1CCOC2(CCCC2)C1 333577099 QRKNBQDRMJOXSA-UHFFFAOYSA-N 287.381 0.735 0 50 CCAA NC[C@H]1CCCN1C(=O)c1cccc(-n2cncn2)c1 238053552 MBTSWRVSVXSYSS-CYBMUJFWSA-N 271.324 0.831 0 50 CCAA NC(=O)NCC(=O)N1CCC[C@@H](OCc2cccnc2)C1 77339673 OJLOWBDUOWLRHI-GFCCVEGCSA-N 292.339 0.258 0 50 CCAA CCCC[C@@H](C(=O)OC)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 240471607 GDCTZPUTYYWCJO-SDDRHHMPSA-N 289.397 0.837 0 50 CCAA CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1c[nH]nn1 286447824 FPKKSVXLWDQSKQ-GMSGAONNSA-N 265.317 0.228 0 50 CCAA CC[C@@H]1CN(C(=O)Cc2cncn2C)C[C@]2(CCOC2)O1 526034512 SRVBOVGBABPOJG-HIFRSBDPSA-N 293.367 0.759 0 50 CCAA COC[C@H](CO)NC(=O)c1cnc(C2CCCC2)nc1N 288293761 RCQCLVJNRRHNGG-JTQLQIEISA-N 294.355 0.454 0 50 CCAA Cc1nnc(C(=O)NCc2nc(N(C)C)no2)s1 225434032 KZFKXYWUYAVACY-UHFFFAOYSA-N 268.302 0.226 0 50 CCAA Cc1cc(C)c(C(=O)N2CC[C@H]3CNC[C@H]32)c(=O)[nH]1 77470848 ZTZNDZAHQWYFAA-WDEREUQCSA-N 261.325 0.426 0 50 CCAA CCCOC[C@H]1CCN(C(=O)Cc2nc(O)n[nH]2)C1 426552046 QUUDDUVCADISTC-VIFPVBQESA-N 268.317 0.328 0 50 CCAA CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 82315571 SOXNUISQQVRTFU-LBPRGKRZSA-N 291.351 0.658 0 50 CCAA CN(C)c1ccc(CN2CCN(C)[C@H](CO)C2)cn1 225340363 JLYJJTWUXODRRS-ZDUSSCGKSA-N 264.373 0.256 0 50 CCAA CC1(C(=O)O)CCN(C(=O)CCN2CCCC2=O)CC1 426563521 YQFFXTXOOSVDJM-UHFFFAOYSA-N 282.340 0.712 0 50 CCAA CN(C[C@@H](O)Cc1ccccc1)S(=O)(=O)C1COC1 292881985 CRPWWINKJBMLAH-LBPRGKRZSA-N 285.365 0.250 0 50 CCAA Cc1ncc(C(=O)NC[C@H](C)Oc2cccnc2)c(=O)[nH]1 91745744 FYXTUYHZRNCXRU-VIFPVBQESA-N 288.307 0.671 0 50 CCAA Cc1ccccc1[C@H](C(=O)NCCS(C)(=O)=O)N(C)C 95367111 VPQIFQCCNLAZOK-CYBMUJFWSA-N 298.408 0.759 0 50 CCAA CC(C)CCC[C@H](C)N[C@@H]1CS(=O)(=O)C[C@H]1O 248243698 FWFJBLFSYAHYQY-QJPTWQEYSA-N 263.403 0.949 0 50 CCAA Cc1ccnc(C[C@H](C)N(C)Cc2nc(C(N)=O)no2)c1 244715931 LEYUKAMQLIPVNB-JTQLQIEISA-N 289.339 0.935 0 50 CCAA O=C(c1cncc(=O)[nH]1)N1CCCC2(CCNCC2)CC1 534669307 RNSRNXHKOXSKGZ-UHFFFAOYSA-N 290.367 0.766 0 50 CCAA NC(=O)[C@@H]1CC[C@@H]1C(=O)N1Cc2ccc(O)cc2C1 628538129 CGWQNUFNNXPZFI-NEPJUHHUSA-N 260.293 0.746 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N[C@H](C)c1nc(C)no1 534639475 CKMVPCDTZRZQQB-MRVPVSSYSA-N 299.356 0.942 0 50 CCAA CC[C@@H](NC(=O)CCn1cccn1)c1ncnn1C 534658826 VFUYOVZVRULYKU-SNVBAGLBSA-N 262.317 0.669 0 50 CCAA CCc1ccccc1C(=O)N[C@H]1CO[C@@H]2[C@@H](O)CO[C@H]12 1940196277 XGZCEHUEBTWKSY-IGQOVBAYSA-N 277.320 0.506 0 50 CCAA C[C@H]1CN(CC(=O)NCCc2cc[nH]n2)C[C@@H](C)O1 299759646 MJZRGCCILXBUTM-PHIMTYICSA-N 266.345 0.178 0 50 CCAA Cc1n[nH]nc1C(=O)N(C)C[C@H]1CCN(C(C)C)C1 299792158 DFNDYTDCWCQGNN-LLVKDONJSA-N 265.361 0.915 0 50 CCAA CCc1nnc(CNC(=O)N2CCC[C@H]2C(N)=O)s1 584900490 XYHYJBKGVIWGOS-ZETCQYMHSA-N 283.357 0.260 0 50 CCAA CCc1nc(C)c(CC(=O)N2CCC[C@H](O)CC2)c(O)n1 584885297 VJRCFBAMQWNRIQ-NSHDSACASA-N 293.367 0.969 0 50 CCAA Nc1nc(CNC(=O)COC[C@H]2CCCCO2)cs1 584901580 HZBYXMRZFYACBX-SNVBAGLBSA-N 285.369 0.927 0 50 CCAA Cc1cc2n(n1)CCN(Cc1cc(O)n3nc(C)nc3n1)C2 670462642 VWSWVUKSWDFXOR-UHFFFAOYSA-N 299.338 0.659 0 50 CCAA Cc1nn(CC(F)F)c(C)c1C(=O)NCCn1cnnn1 1465849043 LXNOUSUONNZGFB-UHFFFAOYSA-N 299.285 0.182 0 50 CCAA NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 408064866 YGXSFIYYYQZDNK-CSYMLDBXSA-N 266.341 0.714 0 50 CCAA C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cn(C)cn2)CCN1C 408082074 FYMBYPSQYCGJNJ-NXEZZACHSA-N 272.374 0.133 0 50 CCAA N[C@@H]1CC12CC(NC(=O)c1ncc(Br)cn1)C2 1615591195 QSJABLGXPJVXJU-JKDSDDBFSA-N 297.156 0.849 0 50 CCAA C[C@@H](O)CNS(=O)(=O)CCCNC(=O)OC(C)(C)C 1616036712 UQJDNSOPAJNFIZ-SECBINFHSA-N 296.389 0.201 0 50 CCAA COCCN1CC[C@@H](CN(C)C(=O)C2(N)CCCC2)C1 1506415661 APXASFZRJSUUQB-ZDUSSCGKSA-N 283.416 0.685 0 50 CCAA CC(C)Cc1nc(CN(C)C(=O)N[C@@H](C)C(=O)O)no1 1506396650 LOJJQKHFHNHARS-QMMMGPOBSA-N 284.316 0.883 0 50 CCAA O=C(CO)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704315341 SRLVHZLPJOMLBE-IUODEOHRSA-N 286.331 0.589 0 50 CCAA CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2C)C1 408081152 DEWPRYNTYAVEHA-WXHSDQCUSA-N 268.357 0.786 0 50 CCAA Cc1nnc(SCC(=O)NC2CCCCC2)n(N)c1=O 6200252 GJBUFHDEFUBLTF-UHFFFAOYSA-N 297.384 0.202 0 50 CCAA C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H](CC2CC2)C1 645119752 VXHVOHKCZANGQK-CMPLNLGQSA-N 288.413 0.915 0 50 CCAA CN(C)S(=O)(=O)c1cccc(Cn2ccnn2)c1 128062483 WYQXSYKCBLLFLF-UHFFFAOYSA-N 266.326 0.577 0 50 CCAA Cn1ccn2ncc(C(=O)NCc3[nH]nc4ncccc34)c12 1772806727 JOPXISVJQMQGNS-UHFFFAOYSA-N 295.306 0.874 0 50 CCAA CC(C)N(CCNC(=O)c1cnc(C(N)=O)cn1)C(C)C 1772709301 FFRYHRHZIMZKHF-UHFFFAOYSA-N 293.371 0.424 0 50 CCAA O=C1C[C@H]2NCC[C@H]2N1Cc1cn2ccccc2n1 1857687968 NQIHPPZXQLQAPK-VXGBXAGGSA-N 256.309 0.797 0 50 CCAA C[C@@H](O)CN1CCN(C(=O)C2(C(=O)O)CC=CC2)C[C@H]1C 663108970 AVSDGJYBNQTZGW-VXGBXAGGSA-N 296.367 0.321 0 50 CCAA NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 253426534 ROHNLTGNWNRMDH-UHFFFAOYSA-N 274.729 0.453 0 50 CCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1c[nH]cc1C)C2 952848552 OZVXZVNAJJTLGF-ABAIWWIYSA-N 291.351 0.548 0 50 CCAA Cc1ncc(CNC(=O)C[C@@H](O)C2CC2)c(O)n1 1875283364 PBUSAQFELMCQCD-SNVBAGLBSA-N 251.286 0.268 0 50 CCAA Cn1ncc(CN2C(=O)CN(CC3CCCC3)C2=O)n1 1875307837 MPVAFUIWSNVDAY-UHFFFAOYSA-N 277.328 0.770 0 50 CCAA COCc1cc(C2CN(C(=O)[C@@](C)(O)C3CC3)C2)no1 886084495 BLDWKIJMUNVFTR-AWEZNQCLSA-N 280.324 0.908 0 50 CCAA Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cncn2C)cn1 888095390 ZIOMKSSPPSYQFV-WCQYABFASA-N 289.339 0.884 0 50 CCAA COCc1nccc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 892854295 BGFNPOPNWYJMNI-QWHCGFSZSA-N 292.383 0.780 0 50 CCAA CCO[C@H]1C[C@@H](NC(=O)N2CCNC(=O)[C@H]2C(C)C)C1 332469386 RQXYTFAXMBEITR-GRYCIOLGSA-N 283.372 0.720 0 50 CCAA Cc1nc(CNC(=O)[C@@H]2COc3ccccc3C2)n[nH]1 91440421 JZRQOWLOVPYRJD-NSHDSACASA-N 272.308 0.981 0 50 CCAA Cc1noc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)n1 670464474 LLAKAYDUEMXJME-QWRGUYRKSA-N 252.318 0.019 0 50 CCAA CS(=O)(=O)c1cnn(CC(=O)NCc2cccs2)c1 901600451 DHJFNGPRDWYLAX-UHFFFAOYSA-N 299.377 0.665 0 50 CCAA CNC[C@@H](C)C(=O)N1CCC(CC(=O)NC)CC1 1329260000 ULEMEDBWDIRGIX-SNVBAGLBSA-N 255.362 0.217 0 50 CCAA Cn1c(NCCn2cnc3ccccc32)cc(O)nc1=O 2325867065 JMBVDVSUZSQDOE-UHFFFAOYSA-N 285.307 0.948 0 50 CCAA CC(=O)Nc1nonc1C(=O)N1CCC(C)CC1 193679 LCRHVRQEEODZQI-UHFFFAOYSA-N 252.274 0.900 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cc(=O)cc(C)[nH]1)C2 2356153810 VUFGAJVHPMLQOZ-NHYWBVRUSA-N 292.335 0.418 0 50 CCAA O=S1(=O)CC[C@H](NC(=S)N2CCCCCC2)C1 4304913 RIJJTQHJNMVQAC-JTQLQIEISA-N 276.427 0.924 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1COCCO1 247553546 ZMGQNNGUOHMEAA-WOPDTQHZSA-N 254.330 0.097 0 50 CCAA CCC(=O)NCCNc1cc(-n2cccn2)nc(C)n1 65362497 ACPVZXBFVXKMSS-UHFFFAOYSA-N 274.328 0.909 0 50 CCAA Cc1ncc(S(=O)(=O)N(C)CC(=O)O)s1 230274692 DSCCURVSUQFXHJ-UHFFFAOYSA-N 250.301 0.157 0 50 CCAA CCn1cc(S(=O)(=O)N(C)c2cccnn2)cn1 331320984 JSRMLFDGJBCUSY-UHFFFAOYSA-N 267.314 0.518 0 50 CCAA COc1ccccc1-c1n[nH]c(=O)n1[C@@H](C)C(=O)O 65372274 OMBVFJYYPQQKSE-ZETCQYMHSA-N 263.253 0.893 0 50 CCAA CN(C)c1noc(C(C)(C)S(=O)(=O)C2CC2)n1 328843900 QUNKPFSYMYFIJN-UHFFFAOYSA-N 259.331 0.948 0 50 CCAA C[S@](=O)C1(CNc2ncnc(-n3cccn3)c2N)CC1 281759285 RPNANHOOMUWVAA-FQEVSTJZSA-N 292.368 0.568 0 50 CCAA C[C@H](OCCCNC(=O)[C@@H]1C[C@H](O)CN1)c1ccccc1 150768721 DDXOPMJUZDQRIW-QEJZJMRPSA-N 292.379 0.993 0 50 CCAA Cc1cc2n(n1)CCCN(C(=O)C[C@H]1COCCN1)C2 72167280 GZSLAKZDZFEVBD-LBPRGKRZSA-N 278.356 0.302 0 50 CCAA CN(Cc1nnc[nH]1)S(=O)(=O)CCc1cccs1 242292562 YNHZLBSPXNBTPO-UHFFFAOYSA-N 286.382 0.871 0 50 CCAA O=C(O)C[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O 218713983 KHIZBLILGYLLOY-JTQLQIEISA-N 280.255 0.763 0 50 CCAA O=C(CCn1cccn1)N1CCN[C@@H](c2cccnc2)C1 368528034 NJFHWCQMUZJDNF-CQSZACIVSA-N 285.351 0.841 0 50 CCAA CCn1nccc1CN1C[C@H](OC)C[C@H]1c1ncn[nH]1 284483794 FQXBSZPTNYOZGX-NEPJUHHUSA-N 276.344 0.983 0 50 CCAA NC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCNC1 261874924 RRQAWIXSZQSZOT-KBPBESRZSA-N 289.379 0.589 0 50 CCAA Cc1cc(S(=O)(=O)NC[C@]2(C)CCC(=O)N2)c(C)o1 334890107 LIISNIYGDZAVBJ-LBPRGKRZSA-N 286.353 0.843 0 50 CCAA Cc1ccccc1[C@H]1C(=O)NCCN1CCC(=O)O 262417207 ZKTZBAMJDUPEFQ-ZDUSSCGKSA-N 262.309 0.943 0 50 CCAA CCN(C[C@@H]1CCCCO1)C(=O)c1c[nH]c(=O)cn1 221388307 PXRYGMIJSPMXEW-JTQLQIEISA-N 265.313 0.801 0 50 CCAA Nc1nnc(CCCNC(=O)[C@H]2CCC[C@@H](O)C2)s1 223741087 MIOAOOVWMOKIKN-DTWKUNHWSA-N 284.385 0.720 0 50 CCAA CN(C[C@@H]1CCCN(c2ncccn2)C1)S(C)(=O)=O 286614714 QOFPAXUWLYXSJN-NSHDSACASA-N 284.385 0.584 0 50 CCAA C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1ccnn1 287326696 VTSQPRSKXDBRQC-ZJUUUORDSA-N 265.317 0.683 0 50 CCAA O=C(CSCCN1CCCC1)NC1(C(=O)O)CCC1 426545053 LKFHFQPZZLUYDM-UHFFFAOYSA-N 286.397 0.939 0 50 CCAA CCc1nc(CCNC(=O)c2ccc(C)n(C)c2=O)no1 426623354 RTPMWLYABGWXKD-UHFFFAOYSA-N 290.323 0.612 0 50 CCAA C[C@@H]1[C@H](N(C)CCO)CCN1CC(=O)NCc1ccco1 292429453 NLWYWQPLBNJGIO-TZMCWYRMSA-N 295.383 0.283 0 50 CCAA CCCc1cc(C(=O)N[C@H](CC)C(=O)O)n(C)n1 95388881 OETBGDPKUKCVMY-SECBINFHSA-N 253.302 0.966 0 50 CCAA N[C@@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 237932497 XSKBZVKRRHFRDU-RBSFLKMASA-N 295.427 0.827 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C(=O)[C@H]1C[C@@H]1C(=O)O)C1CC1 299748209 GLHBBQUMLNEPDU-JEZHCXPESA-N 289.353 0.131 0 50 CCAA O=C(NCc1cc(F)cc(F)c1)[C@@H]1C[C@H](O)CN1 299748725 HYUUEBYIACHXGO-QWRGUYRKSA-N 256.252 0.304 0 50 CCAA CCCCO[C@H](C)C(=O)N1CCOC[C@H]1C(=O)O 299751554 QYWOHCXJGIQRFA-ZJUUUORDSA-N 259.302 0.504 0 50 CCAA Cc1cnc([C@H](C)NC(=O)CSc2nnnn2C)[nH]1 534584501 ONHGGQQMGMFXAX-ZETCQYMHSA-N 281.345 0.211 0 50 CCAA Cc1ccc2nc(CNC(=O)[C@H]3C[C@@H](O)CN3)[nH]c2c1 357901517 DNEOUOSDDWNFTN-BXKDBHETSA-N 274.324 0.210 0 50 CCAA CCCn1nccc1S(=O)(=O)N1CCC[C@@H](CN)C1 534648384 GYWODAHLMOXUPJ-NSHDSACASA-N 286.401 0.653 0 50 CCAA Cc1nc(CC(=O)N[C@H]2COC[C@@H]2N2CCCC2)cs1 534584164 OQQGRDOVSIFTGN-STQMWFEESA-N 295.408 0.973 0 50 CCAA O=C(NCC1(CN2CCOCC2)CC1)c1cncnc1 299775955 LQRQQJMEJSBFDX-UHFFFAOYSA-N 276.340 0.319 0 50 CCAA O=C(CCCN1CCCC1=O)NC[C@H]1CCCOC1 828023213 STEBMEAMTJUIBT-GFCCVEGCSA-N 268.357 0.932 0 50 CCAA CN1CCC[C@H](CCC(=O)NC2(C(=O)O)CC2)C1 823770652 WXYHJSCYSILCIK-SNVBAGLBSA-N 254.330 0.842 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)NCCc1ccncc1 827628067 OGKHAHFGYZUORY-NSHDSACASA-N 259.313 0.668 0 50 CCAA C[C@@H](CN1CCOCC1)n1cnc2cnccc2c1=O 584888553 UWOFPDUKOOBOQP-NSHDSACASA-N 274.324 0.685 0 50 CCAA C[C@@]1(C(=O)NCCCN2CCC(O)CC2)CCCCO1 584890464 XJKMAOFNUWJSHB-HNNXBMFYSA-N 284.400 0.909 0 50 CCAA CC1=C(C(=O)NCCCn2ccnn2)OCCO1 952989172 CAWPODNONSLKJX-UHFFFAOYSA-N 252.274 0.063 0 50 CCAA Cc1ccoc1C(=O)NCC1CCN([C@H](C)C(N)=O)CC1 952968901 GZQTVFGHRYLVIV-LLVKDONJSA-N 293.367 0.904 0 50 CCAA C[C@@H](C(=O)N(C)CCN(C)C1CC1)[C@@H]1CCC(=O)N1 408522113 DBDCHRGINTVUKJ-PWSUYJOCSA-N 267.373 0.454 0 50 CCAA CCOC[C@H](O)CN1CC[C@@H](N(C)Cc2noc(C)n2)C1 222075108 KUPNMBZJRZGVQV-CHWSQXEVSA-N 298.387 0.282 0 50 CCAA NC(=O)c1ccc(OCC(=O)N2CC[C@H](C(=O)O)C2)cc1 269217551 YRPJOULUBVYGSN-JTQLQIEISA-N 292.291 0.097 0 50 CCAA C[C@H]1C[C@H](O)CN1C(=O)c1cc(C(N)=O)cs1 408294527 NHLPNBVXGYQPCR-XPUUQOCRSA-N 254.311 0.442 0 50 CCAA Cc1c(S(=O)(=O)NC(=O)C2(C)CC2)cnn1C 408487607 WJXSMMXSYJEGHN-UHFFFAOYSA-N 257.315 0.334 0 50 CCAA C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)CCc1nn[nH]n1 633065487 JYMFGNNDMHNIPF-MNOVXSKESA-N 278.360 0.218 0 50 CCAA CC(CO)(CO)Cn1cc(-c2ccc(F)cn2)nn1 656454161 IWBSDTWIBUSGBX-UHFFFAOYSA-N 266.276 0.470 0 50 CCAA O=C(O)Cn1ccc(NC(=O)[C@H]2CCc3nccn3C2)n1 663145350 QGUUKHVYFCSWSQ-VIFPVBQESA-N 289.295 0.365 0 50 CCAA OC[C@H](O)CNc1nc(C2CCOCC2)ns1 663724803 AIPZRHRDJRDBEI-MRVPVSSYSA-N 259.331 0.197 0 50 CCAA Cn1nncc1CNC(=O)C[C@@H]1COc2ccccc2O1 1615552482 NWVHJANQNOLWSS-LLVKDONJSA-N 288.307 0.661 0 50 CCAA Cc1cccc2nc(NC[C@H](O)CS(C)(=O)=O)oc12 1647476910 DETQWSDWZNLIGU-VIFPVBQESA-N 284.337 0.954 0 50 CCAA C[C@@]1(C(=O)O)CCCN1C(=O)/C=C/c1cnc(N)nc1 1506400516 WECZHVANTYOWTM-OOPCZODUSA-N 276.296 0.538 0 50 CCAA Cc1nc2c(s1)[C@@H](N(C)CC(=O)NC(N)=O)CCC2 111311882 DHQIZTKMJCVZCV-VIFPVBQESA-N 282.369 0.956 0 50 CCAA CCOC(=O)c1cnc(SCC(=O)O)nc1N 191797 KXVUMCRNMDWQHQ-UHFFFAOYSA-N 257.271 0.412 0 50 CCAA in-vitro CCc1nc(N(C)Cc2nncn2CCOC)no1 1529186447 ZSUWDXXCQUBMDJ-UHFFFAOYSA-N 266.305 0.506 0 50 CCAA CC[C@](NC(=O)CN1CCOCC1)(C(=N)O)C(C)C 330792278 BZVFRMMORCHQJM-CYBMUJFWSA-N 271.361 0.775 0 50 CCAA C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)[C@H]1CCOC1 332961147 DZKGIWKDEDVLBX-ONGXEEELSA-N 275.370 0.637 0 50 CCAA C[C@@H](NC(=O)[C@@]1(C(=O)O)CC1(C)C)c1ncon1 663116146 PIDVUWPIQANHDT-KSBSHMNSSA-N 253.258 0.748 0 50 CCAA COC(=O)N1CCN(C[C@@H]2CCC(=O)N(C)C2)CC1 1775982594 AMFRUJQVTJXHOO-LLVKDONJSA-N 269.345 0.239 0 50 CCAA COc1cc(OC)nc(NC[C@H]2CN(C)CCO2)n1 135006075 RJBOYSFFIXPKAE-VIFPVBQESA-N 268.317 0.236 0 50 CCAA O=CN1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 19782386 HNLOCPQNADFVSJ-ZDUSSCGKSA-N 287.319 0.093 0 50 CCAA COCCn1ccnc1-c1nccn1[C@H]1CC(=O)N(C)C1 1857668502 BUZQWMKMMZFJTD-NSHDSACASA-N 289.339 0.796 0 50 CCAA COCC1(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)CCC1 1857707148 GGKRTWJAGDXATM-CQSZACIVSA-N 282.340 0.856 0 50 CCAA COc1nc(N2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)ncc1F 1857715485 UGUQJDVVEKGCAY-AUDJIGTPSA-N 295.314 0.600 0 50 CCAA O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1COCCN1 246529043 RTKKJZSVMFUPLL-JHJVBQTASA-N 264.300 0.786 0 50 CCAA Cc1cc(NC(=O)N2CCO[C@H](CO)C2)c(N(C)C)nn1 667485454 SVODYOIQGUMKTF-JTQLQIEISA-N 295.343 0.076 0 50 CCAA c1nc(N2CCO[C@H](COCC3CC3)C2)c2[nH]cnc2n1 302502220 VOOSJRCOLVUNGA-NSHDSACASA-N 289.339 0.985 0 50 CCAA C[C@@](O)(CNC(=O)c1cnc2ccsc2c1)C(=O)O 545310131 RYURNKHPPLVANJ-GFCCVEGCSA-N 280.305 0.862 0 50 CCAA CC(C)(c1nnn(CC2CC=CC2)n1)S(C)(=O)=O 901752303 YDIUKMGMBVJPDS-UHFFFAOYSA-N 270.358 0.919 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@@H](C)C1(OC)CCOCC1 911207676 KEYHHUVUZBRUAK-LBPRGKRZSA-N 298.383 0.721 0 50 CCAA O=C(NCCn1cnccc1=O)c1cccc2c1CCOC2 823634822 OQUMLHOXQVNWBT-UHFFFAOYSA-N 299.330 0.746 0 50 CCAA Cc1cccc(S(=O)(=O)NC(=O)[C@H](C)C(=O)O)c1 863953281 REVZSGIYYMHOIK-QMMMGPOBSA-N 271.294 0.521 0 50 CCAA Cn1nc(CC(=O)Nc2ccnnc2)c2ccccc2c1=O 1875325785 DAYPUNCCTGXWHW-UHFFFAOYSA-N 295.302 0.905 0 50 CCAA C=CC(=O)N1CCC(C(=O)Nc2[nH]nnc2C)CC1 1875367097 CHDDMAXJJSTAQS-UHFFFAOYSA-N 263.301 0.476 0 50 CCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)Cn2cccn2)C1 886086428 URZTZXRKXLJVLC-MCIONIFRSA-N 292.383 0.641 0 50 CCAA CCS(=O)(=O)NCC(=O)N1CC[C@@H](C(F)(F)F)C1 888013422 HQRCHKZGHDAYBG-SSDOTTSWSA-N 288.291 0.337 0 50 CCAA CCCn1nnnc1CN1CCN2CCC[C@H]2C1 253390687 CSARHVRWLUIILQ-NSHDSACASA-N 250.350 0.363 0 50 CCAA CO[C@@H]1CC[C@@H](C(=O)N[C@H](C(=O)O)c2ccnn2C)C1 663060865 PRYNVXJHGPJPHL-KKZNHRDASA-N 281.312 0.477 0 50 CCAA O=C(O)CN(C1CCOCC1)S(=O)(=O)c1ccccc1 572400060 NTRHKCFXTULXNM-UHFFFAOYSA-N 299.348 0.941 0 50 CCAA CC(C)n1[nH]cnc1=NC(=O)COC[C@@H]1CCCO1 574195587 YYPHJNXQUCTEAM-JTQLQIEISA-N 268.317 0.415 0 50 CCAA O=C(C[C@H]1NCCNC1=O)Nc1ccccc1F 4539067 LCPRDDUHXFAFGR-SNVBAGLBSA-N 251.261 0.242 0 50 CCAA O=C(CNC(=O)NC1CC1)Nc1cnc2ccccn12 2325757527 ZAIRDYANCSXXKX-UHFFFAOYSA-N 273.296 0.734 0 50 CCAA Cc1noc(C2(NC(=O)[C@@H]3C[C@@H](C)OC3=O)CC2)n1 2325804407 LAOPSLDHFBRPCN-SVRRBLITSA-N 265.269 0.435 0 50 CCAA COc1ncncc1CNC[C@]1(C(=O)O)CCCOC1 2325829248 DEIFQOKMJIHONZ-CYBMUJFWSA-N 281.312 0.456 0 50 CCAA Cc1cc(N[C@@H]2CCCN(CCO)C2=O)ncn1 133159317 HFEMQQJGRJQLSJ-SNVBAGLBSA-N 250.302 0.180 0 50 CCAA C[C@@H]1C(=O)N(C2CC2)Cc2nnc(Cn3cccn3)n21 2356153671 QBXAFUJHLVFECW-SECBINFHSA-N 272.312 0.589 0 50 CCAA CNC(=S)N1CCN(C(=O)c2ccco2)CC1 8829852 UVHDQYUSFSEUDP-UHFFFAOYSA-N 253.327 0.542 0 50 CCAA COc1ccc(OC)c(-n2c(CCCO)n[nH]c2=O)c1 65370788 PEIRQCCUFHMMAX-UHFFFAOYSA-N 279.296 0.503 0 50 CCAA NS(=O)(=O)c1ccc(CCn2cnnc2)cc1 65384745 QOJWJFSRAQKUAX-UHFFFAOYSA-N 252.299 0.168 0 50 CCAA Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@H]1CCOC1)C2 67772751 QIWGZBUJVYZQHH-QMMMGPOBSA-N 279.296 0.040 0 50 CCAA C[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 229662861 KGQQDOVOTLIMTO-FOGDFJRCSA-N 293.319 0.927 0 50 CCAA CCc1n[nH]c([C@@H]2CN([C@@H]3C[C@@H](C)OC3=O)CCO2)n1 229826211 LAWSILSMZUFVSS-BBBLOLIVSA-N 280.328 0.444 0 50 CCAA Cc1ccc([C@@H](C(=O)N2CCNC(=O)C2)N(C)C)cc1 65409753 OXCNMOSBGHHRMD-AWEZNQCLSA-N 275.352 0.556 0 50 CCAA COCCC1(C(=O)Nc2ccn([C@@H]3CCNC3)n2)CCC1 328633080 SJYCVHOORBDDPW-GFCCVEGCSA-N 292.383 1.563 0 50 CCAA C/C=C/CC(=O)N[C@@H]1CCOC[C@H]1OCCN(C)C 218969186 DXNSAGMFGHWUHV-IJWDBEHRSA-N 270.373 0.805 0 50 CCAA CC(=O)c1ccc(C(=O)N[C@@H](C)c2nc(=O)[nH][nH]2)s1 215516006 YVEWKGIXNBHVJI-YFKPBYRVSA-N 280.309 0.853 0 50 CCAA Cc1nnc(CCNC(=O)CN2CC[C@H](N(C)C)C2)s1 219968289 QOFVTMBPYZYFML-NSHDSACASA-N 297.428 0.141 0 50 CCAA CCN(CC)[C@@H]1CCN(C(=O)c2cnnn2C)C1 282647302 HFNYZQDDDSZOCC-SNVBAGLBSA-N 251.334 0.371 0 50 CCAA O=C(NCc1ccccc1-n1cncn1)c1cccc(=O)[nH]1 215163750 MEJFSBGEJUUQOQ-UHFFFAOYSA-N 295.302 0.886 0 50 CCAA CN1CC[C@H](C(=O)NC2(C(=O)O)CCCC2)CC1=O 262303400 LOFMWPQZEOPJNC-VIFPVBQESA-N 268.313 0.368 0 50 CCAA O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC(c2nnc(O)o2)CC1 614475341 MUMPCERWWILIHY-MYJAWHEDSA-N 279.296 0.374 0 50 CCAA COC[C@@H]1CCCN1C(=O)NCCn1ccnc1 426495849 RSILSSMLFBGIRX-NSHDSACASA-N 252.318 0.704 0 50 CCAA CCOC(=O)N1CC[C@H](N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)C1 426436535 IPVVUDUTRCQQNM-PDWCTOEPSA-N 279.384 0.899 0 50 CCAA O=c1cc(N2CCCCC2)cnn1C[C@H]1COCCO1 95390343 CJOUCVCEODCUDU-ZDUSSCGKSA-N 279.340 0.649 0 50 CCAA COCc1c(C(=O)N2C[C@@H](C)[C@@](C)(O)C2)noc1C 91452736 YIRIOHHXIYJDRO-OQPBUACISA-N 268.313 0.972 0 50 CCAA C[C@@H](C1CCN(c2nccc(N)n2)CC1)N1CCOCC1 95382055 FQZUNPIWSHIGQZ-LBPRGKRZSA-N 291.399 0.996 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)N(C)C1CCNCC1 237087615 OLFQARPCFICVRT-NSHDSACASA-N 271.386 0.118 0 50 CCAA O=C(NC[C@H]1COc2ccccc2C1)c1cnc[nH]c1=O 95517884 CWGLJSYIAJGFMV-JTQLQIEISA-N 285.303 0.751 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(c4nccs4)C(=O)[C@H]13)O2 245225737 KGBDEFWFIYRKEU-VXDIOVFMSA-N 278.289 0.514 0 50 CCAA COC[C@@H](NS(=O)(=O)C1CC1)c1ccccn1 534663948 GESMJLWRSGAKND-LLVKDONJSA-N 256.327 0.851 0 50 CCAA CSCCC(=O)NCCN1CCC(CO)CC1 534668510 HOROFZVCXDMBBV-UHFFFAOYSA-N 260.403 0.560 0 50 CCAA Cc1cnc([C@H](C)NS(=O)(=O)N(C)C(C)C)[nH]1 821724543 OFXPJPXCBMGGTJ-VIFPVBQESA-N 260.363 0.954 0 50 CCAA CCN1CCC(CN[C@@H]2CCOC2)(N(C)C)CC1 823107391 YUAKZRXSRRCLQZ-CYBMUJFWSA-N 255.406 0.781 0 50 CCAA Cc1ncc(CN2CCC(=O)N(CCN(C)C)CC2)cn1 670449778 PTWQEZBMDJNKJT-UHFFFAOYSA-N 291.399 0.381 0 50 CCAA O=C(CCn1cnnn1)NCc1ccccc1-n1ccnc1 670439978 JQGGWHHEGUIUNV-UHFFFAOYSA-N 297.322 0.565 0 50 CCAA Cc1nnc(S)n1CCNC(=O)c1ccco1 170641419 NUECORSFDNSGCU-UHFFFAOYSA-N 252.299 0.898 0 50 CCAA Cn1c(Cl)cnc1CN1CCC[C@](O)(c2cnn[nH]2)C1 583617361 AMVRGCMFBGCEPL-GFCCVEGCSA-N 296.762 0.675 0 50 CCAA Cc1cnc(N2CC[C@H](O)[C@H](C(=O)O)C2)nc1N(C)C 1615737332 IWYPWGDUVZWZQA-ZJUUUORDSA-N 280.328 0.123 0 50 CCAA CN(C)c1n[nH]c(CNCc2cnn3c2CCC3)n1 1621112534 VTNKVIJKRSIMHJ-UHFFFAOYSA-N 261.333 0.303 0 50 CCAA C[C@H](CCS(C)(=O)=O)NC(=O)[C@H](N)CC(C)(C)C 1875291367 WSUXOHIDPRWEPL-NXEZZACHSA-N 278.418 0.689 0 50 CCAA CCOc1cc2c(cc1/C=C1/NC(=O)NC1=O)OCO2 474054 RYIPKAFCFUVNEQ-FPYGCLRLSA-N 276.248 0.994 0 50 CCAA CC(=O)NCCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1616081411 BOAHQVCZNKQGEN-KGLIPLIRSA-N 291.351 0.282 0 50 CCAA COc1nc(NCCNC(=O)c2cccnc2)ncc1F 1704315579 KXMVDIXBKFMSMX-UHFFFAOYSA-N 291.286 0.861 0 50 CCAA COc1ccc(N([C@@H](C)C(=O)O)S(C)(=O)=O)cc1 211448 XQVIJJARWJWZEB-QMMMGPOBSA-N 273.310 0.934 0 50 CCAA in-vitro CN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@H]1CCN(S(C)(=O)=O)C1 329333926 XEYAWDOYSVEFLJ-SDDRHHMPSA-N 286.397 0.525 0 50 CCAA C[C@@]1(O)CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)C1 375090243 NPDHWJHOZBKISA-GXSJLCMTSA-N 296.289 0.233 0 50 CCAA CCOc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1C 6730400 HAOKPUSDIWSTLY-SECBINFHSA-N 286.353 0.546 0 50 CCAA CN(C)c1nc(N2CCN3C(=O)OC[C@H]3C2)ncc1F 1772709546 KXRHNLAVWBPHOX-MRVPVSSYSA-N 281.291 0.323 0 50 CCAA O=C(c1ccc2nc[nH]c2c1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772710861 WZROLYMKWDEXGV-GHMZBOCLSA-N 287.319 0.236 0 50 CCAA Nc1ccnc(CN2CCC[C@@H]2CN2CCOCC2)n1 135103985 VJRKGXIIGUBWRQ-GFCCVEGCSA-N 277.372 0.355 0 50 CCAA CN(C)CC(=O)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 12298385 XODCTVNIGZMHGB-ZDUSSCGKSA-N 293.342 0.604 0 50 CCAA CCCCOC(=O)[C@@H](O)[C@@H](O)C(=O)OCCCC 12405186 PCYQQSKDZQTOQG-AOOOYVTPSA-N 262.302 0.395 0 50 CCAA CC(C)(C)OC(=O)N1CCN(C(=O)C2(O)CC2)CC1 169804428 ZLHDQDQGKKCUHR-UHFFFAOYSA-N 270.329 0.591 0 50 CCAA O=C1NCC2(CN(C(=O)/C=C/c3ccccc3)C2)N1 1857687685 ZYFDMKXLJYCNDM-VOTSOKGWSA-N 257.293 0.594 0 50 CCAA CN[C@@H]1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 133063204 WAKBVFNCUFUDCO-GFCCVEGCSA-N 291.351 0.375 0 50 CCAA C[C@H]1[C@@H](C)OCCN1C(=O)CNc1ccccc1C(N)=O 253407730 INCVTVBDYQOYPZ-WDEREUQCSA-N 291.351 0.833 0 50 CCAA OCCOc1ccccc1CN1CC[C@H](CO)[C@H](O)C1 1237196164 HUGJEHGFLVHQPE-ZIAGYGMSSA-N 281.352 0.233 0 50 CCAA Cc1conc1C1CN(Cc2cnc(C(N)=O)cn2)C1 1875299693 SLKITESVSKGNLR-UHFFFAOYSA-N 273.296 0.471 0 50 CCAA O=C(Nc1ccc(O)cc1F)c1cn(C2COC2)nn1 1875278406 WTCIHGDQYICDBG-UHFFFAOYSA-N 278.243 0.946 0 50 CCAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@H]1CCc2ccnn2C1 1875311085 MKJPORMNATVHPR-YKDBICPDSA-N 289.335 0.671 0 50 CCAA NS(=O)(=O)C[C@H]1CCN(c2cnc3ccccc3n2)C1 896394084 KWLXIIROHDLVKG-JTQLQIEISA-N 292.364 0.745 0 50 CCAA O=C(Cc1cn2ccsc2n1)N1CCC[C@@](O)(CO)C1 72174592 VYDJNJJIABYQAK-ZDUSSCGKSA-N 295.364 0.284 0 50 CCAA CC1(C)CC[C@@H](C(=O)N[C@@H]2CCC(=O)NC2=O)C1 336559930 SSGQLHHTGLFOQP-RKDXNWHRSA-N 252.314 0.734 0 50 CCAA CN[C@@H](CC(C)C)C(=O)N(C)CCn1cnnc1 2325761534 QZDZIXXYOFZXDS-NSHDSACASA-N 253.350 0.371 0 50 CCAA COCCNC(=O)CN(c1ccccc1)S(C)(=O)=O 2961373 LOUAEVRKRPPHOG-UHFFFAOYSA-N 286.353 0.215 0 50 CCAA CCOc1ccccc1NC(=O)C(=O)NC[C@@H](C)O 2994050 JYNFORPZYXEIAU-SECBINFHSA-N 266.297 0.521 0 50 CCAA O=C(NCCCn1ccccc1=O)[C@H]1CCOC1 66942684 ULGNZMFFLACCTA-NSHDSACASA-N 250.298 0.391 0 50 CCAA Cc1cccnc1CCNc1nc2c(c(=O)[nH]1)CCNCC2 63855758 RUNYWZSOZQBTEF-UHFFFAOYSA-N 299.378 0.816 0 50 CCAA CO[C@@H]1C[C@@H]2C(=O)N([C@H]3CCN(C(C)C)C3=O)C(=O)N2C1 253431874 IIYRHJXONFKYIS-OUAUKWLOSA-N 295.339 0.047 0 50 CCAA O=c1nc(N2CC[C@@H](Oc3cccnc3)C2)[nH]c2[nH]ncc12 120301859 UTGCOLJCWZQDLP-SNVBAGLBSA-N 298.306 0.699 0 50 CCAA CC(C)C[C@@H](C(=O)O)N(C)C(=O)[C@@H]1CCCS1(=O)=O 519782271 VKQAIHBQDJXOAT-UWVGGRQHSA-N 291.369 0.521 0 50 CCAA CCCc1ncncc1C(=O)NCCS(C)(=O)=O 215807806 YOPIIKYHNTURAK-UHFFFAOYSA-N 271.342 0.204 0 50 CCAA O=C(NC[C@H](O)c1ccccc1Cl)[C@@H]1CNCCO1 151447836 DQXGSVPTYVVZMO-RYUDHWBXSA-N 284.743 0.478 0 50 CCAA O=C(NC[C@@H](O)c1ccccc1F)[C@@H]1CCNC1 151454508 BPLHERKBHSWAKM-BXKDBHETSA-N 252.289 0.585 0 50 CCAA O=C1C[C@H](C(=O)N2CC[C@H](N3CCCC3)C2)CCN1 153392693 JLCLUIBXPFVLEY-NEPJUHHUSA-N 265.357 0.209 0 50 CCAA O=C1C[C@H](NS(=O)(=O)N2CCCC2)[C@@H]2CCCCN12 328782728 HSMKYODXAHQYDJ-QWRGUYRKSA-N 287.385 0.070 0 50 CCAA COC(=O)[C@]1(C)CCCN(C(=O)[C@H]2CCCCC(=O)N2)C1 335522689 HYUOCXHJCQUJKN-IAQYHMDHSA-N 296.367 0.847 0 50 CCAA O=C(N[C@@H]1COCC[C@H]1O)c1cc(=O)[nH]c2ccccc12 219272036 JZEOEKQWVRNTKK-CHWSQXEVSA-N 288.303 0.408 0 50 CCAA NCCCN1C(=O)CC[C@H]2CN(Cc3c[nH]cn3)CC[C@H]21 72432138 DOSLGGPMRHYJLL-GXTWGEPZSA-N 291.399 0.571 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(C)=O)C1 336043980 SOWMTKQLRRLLEX-NEPJUHHUSA-N 254.330 0.539 0 50 CCAA NC(=O)C1(NC(=O)C2CCC(F)(F)CC2)CCOCC1 372265687 FBOURTXAKOEJKT-UHFFFAOYSA-N 290.310 0.963 0 50 CCAA O=C(CCCCc1cnn[nH]1)N1C[C@H](O)C2(CC2)C1 375289614 ZFBJHQVXBZPRFD-NSHDSACASA-N 264.329 0.501 0 50 CCAA C[C@H](C(=O)N(C1CC1)C1COC1)n1nnnc1C(C)(C)C 333038360 DQOMMWQSNCOPOK-SECBINFHSA-N 293.371 0.921 0 50 CCAA CCN1CCC(CNC(=O)N2CC[C@@H](CO)C2)CC1 606977034 QRVVOJCIQIQRRB-CYBMUJFWSA-N 269.389 0.742 0 50 CCAA CS(=O)(=O)NCC(=O)NCCCOC1CCCCC1 49032305 BVGSXKXATXXLLZ-UHFFFAOYSA-N 292.401 0.391 0 50 CCAA CN1CCCC[C@@H]1CC(=O)NCCCc1nn[nH]n1 426612294 GMCGHHBAKVJEHC-SNVBAGLBSA-N 266.349 0.123 0 50 CCAA O=C1C[C@H](C(=O)NCc2ccc3c(c2)OCCO3)CCN1 177710658 LSBPDHVYDIFLJA-LLVKDONJSA-N 290.319 0.600 0 50 CCAA O=C(CN1CCCCCCC1)NCCc1noc(CO)n1 220697913 XUIIMCVVIROAHQ-UHFFFAOYSA-N 296.371 0.487 0 50 CCAA COCC[C@@]1(CO)CCCN(Cc2noc(COC)n2)C1 92065671 SNBDYHACYILIGN-AWEZNQCLSA-N 299.371 0.827 0 50 CCAA CC1CCN(S(=O)(=O)N(C)CCN2CCCC2)CC1 343640569 FPTIKBOMCOEKTB-UHFFFAOYSA-N 289.445 0.991 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C[C@H]2[C@H]2C3CCC(CC3)[C@H]21 248065123 VZEYQDKAECHXEM-MFIUYIKDSA-N 261.325 0.900 0 50 CCAA CN1CCN(C)[C@@H](CC(=O)NCc2ccoc2)C1 244853086 VEYGWKWVJXSAQO-LBPRGKRZSA-N 251.330 0.532 0 50 CCAA CCN(CCn1cc[nH]c1=O)C[C@@H](O)c1cccc(O)c1 244748504 OIXPGGWGOVWJRY-CQSZACIVSA-N 291.351 0.938 0 50 CCAA Cc1ccc([C@@H](O)CN2CCC([C@@H](O)C(N)=O)CC2)cc1 299747178 CHLKUOSALNTTQZ-LSDHHAIUSA-N 292.379 0.587 0 50 CCAA CC(=O)N1CCC[C@@H](NC(=O)c2c(C)ncn2C)C1 534675557 UATBWNDTNLONJX-LLVKDONJSA-N 264.329 0.469 0 50 CCAA Cn1ncc2ncc(C(=O)NCCN3CCOCC3)cc21 1940197361 KLEIOSMRWMFALG-UHFFFAOYSA-N 289.339 0.030 0 50 CCAA COCCOC1CCN([C@@H]2CCNC(=O)CC2)CC1 670447790 BJXAYMYHIFQFAV-LBPRGKRZSA-N 270.373 0.783 0 50 CCAA COC[C@@H]1CCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 239653965 BLXFIKLWEHCXBV-OLZOCXBDSA-N 290.429 0.769 0 50 CCAA CC[C@H]1CN(C[C@H]2CCCN(S(C)(=O)=O)C2)CCO1 245304973 HITVGYKIGFJMSN-OLZOCXBDSA-N 290.429 0.769 0 50 CCAA Cc1cnc(C)c(N2CC[C@H](C(=O)O)[C@H](O)C2)n1 1529181090 PUSQXKQQBMYSMN-VHSXEESVSA-N 251.286 0.365 0 50 CCAA CC(C)[C@H](CO)N(C)C(=O)CCCn1cncn1 952967755 LCSKGLOITFKPMC-NSHDSACASA-N 254.334 0.534 0 50 CCAA Cc1cccc(CN(C(=O)Cn2[nH]nnc2=N)C(C)C)c1 952983029 NYQKXFRUSYVWIK-UHFFFAOYSA-N 288.355 0.831 0 50 CCAA CC(C)(C)OC(=O)N1CCC(N)(CC(N)=O)CC1 211467995 RWONVRYPHASWSW-UHFFFAOYSA-N 257.334 0.590 0 50 CCAA Cc1nc2n(n1)CCN(C(=O)[C@@H]1CCCO[C@@H]1C)C2 408330123 QAUKTDFZRGEKGU-MWLCHTKSSA-N 264.329 0.744 0 50 CCAA CCOC[C@@H](O)CN1CC[C@@H](N(C)Cc2noc(C)n2)C1 222075052 KUPNMBZJRZGVQV-OLZOCXBDSA-N 298.387 0.282 0 50 CCAA COC[C@]1(C)NC(=O)N(CCO[C@@H]2CCCCO2)C1=O 170616326 RIEFIKKHKJCIHR-MFKMUULPSA-N 286.328 0.487 0 50 CCAA CCN1CN(C(=O)N[C@@H](C)C(C)(C)CN(C)C)CC1=O 195580055 HGEXUWBCNKDWIL-NSHDSACASA-N 284.404 0.794 0 50 CCAA CCOc1ccc(NC(=O)N2CCO[C@@H](CN)C2)nc1C 659053688 SJPBEMAFSSPBRN-NSHDSACASA-N 294.355 0.980 0 50 CCAA CN(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)B(O)OC3)C1 584939171 GHWKPNSCLNZBED-CYBMUJFWSA-N 288.156 0.071 0 50 CCAA Cc1ccnc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 682852471 RUWQAKGLHNTTMY-UHFFFAOYSA-N 285.307 0.185 0 50 CCAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1ccnnc1 776620950 CYBYYROUPUFCGO-LLVKDONJSA-N 279.296 0.573 0 50 CCAA CN(Cc1cn(C)nn1)C(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21 1615552923 HSODBFUJNKPRQY-IACUBPJLSA-N 291.399 0.942 0 50 CCAA CC(C)(CNC(=O)[C@]12CNC[C@H]1COC2)C1CCOCC1 1615550558 YBOVJVHDMCQLSH-BBRMVZONSA-N 296.411 0.791 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC[C@](C)(O)C(F)(F)F 901239646 JZKRSIPTDBHLOX-JTQLQIEISA-N 282.262 0.450 0 50 CCAA CN(C)CCc1nnc(NC(=O)[C@H]2CCOC2)s1 1506404520 YQYCYBHNFYERPK-QMMMGPOBSA-N 270.358 0.617 0 50 CCAA C[C@H]1CCCCN1S(=O)(=O)NCCc1cnoc1 907389508 RHCGQEHXYWPSLC-JTQLQIEISA-N 273.358 0.926 0 50 CCAA CSCC(=O)N1C[C@@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1529119172 UJLCZZHYBTYQBJ-MWLCHTKSSA-N 269.370 0.443 0 50 CCAA CO[C@@H]1C[C@H](C(=O)N(C)Cc2ncc(C)[nH]2)CC[C@@H]1O 1704316381 ZESDZXCDDFMFBM-GRYCIOLGSA-N 281.356 0.853 0 50 CCAA CN[C@H]1CCCN(C(=O)c2ccc(N(C)C)nn2)C1 151039404 JOQKVNOTYGXAKP-JTQLQIEISA-N 263.345 0.367 0 50 CCAA CNS(=O)(=O)[C@H]1CCN(Cc2ccc(OC)nc2)C1 155795730 NCISCHWVZHWKJU-NSHDSACASA-N 285.369 0.214 0 50 CCAA CCOC(=O)CN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 19093715 QACWMXBUFFUDHL-LLVKDONJSA-N 294.282 0.610 0 50 CCAA biogenic COC(=O)[C@H]1[C@@H]2C(=O)N(C(C)C)C[C@@]23C=C[C@H]1O3 150252948 JRWQJZGOGNTXGY-PRFIWBCESA-N 251.282 0.350 0 50 CCAA CCN(CC)C(=O)CN(C)c1cc(O)nc(C)n1 162828479 WRKWPPURQAKAQK-UHFFFAOYSA-N 252.318 0.795 0 50 CCAA CCOc1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1CO 1857735173 LFDCWESLWPYSCO-UKRRQHHQSA-N 295.379 0.753 0 50 CCAA CCN1CCOC[C@@H]1C(=O)NCc1ccc(C(=O)O)cc1 630097172 VUDKYCOXXMNYRO-CYBMUJFWSA-N 292.335 0.722 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H](C(=O)O)C1 128549980 PWIACTLCHRPIFO-NSHDSACASA-N 295.339 0.739 0 50 CCAA CN(C)[C@@H](C(=O)N1CCC(C)(CO)CC1)c1cncn1C 684876859 CKUMUZCUNRASFS-CYBMUJFWSA-N 294.399 0.644 0 50 CCAA C[C@@H](C(=O)NCc1cccc(O)c1)N1CCN(C)CC1 263649894 FOCUKZBQECSZNS-LBPRGKRZSA-N 277.368 0.644 0 50 CCAA CC1(C)CC[C@H]1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 826833804 IGYHXVBECNJRCP-IUCAKERBSA-N 265.317 0.536 0 50 CCAA Cc1cc(=N[C@@H]2C[C@H](C(=O)O)C[C@@H]2n2ccnn2)cc[nH]1 952851507 MANMQQKGIFEYGV-UHTWSYAYSA-N 287.323 0.920 0 50 CCAA NC(=O)[C@]12CCOC[C@H]1CN(c1ncccc1F)C2 952851310 XKPLFUDODFCJDU-RNCFNFMXSA-N 265.288 0.549 0 50 CCAA CC(=O)N1CCOC2(C1)CN(c1cc(F)ncn1)C2 952893938 KNONDPHAADPKHY-UHFFFAOYSA-N 266.276 0.053 0 50 CCAA O=C(N=c1[nH]ncs1)N1CCCc2n[nH]cc2C1 1875267413 ITFWXNHUGBGKHH-UHFFFAOYSA-N 264.314 0.663 0 50 CCAA Cc1cc(=O)n2nc(N3CC(=O)N(C)[C@@H](C)C3)sc2n1 1875252037 RDCDBDOUZNUMPU-QMMMGPOBSA-N 293.352 0.126 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H](c1cnn[nH]1)C(C)C 1875380724 XMKMOPZYKWZMKI-GFCCVEGCSA-N 265.317 0.262 0 50 CCAA CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2cnn(C)n2)C1 888076763 ANUICABMXGOHKW-LOWVWBTDSA-N 293.371 0.187 0 50 CCAA Cc1cc(=NC(=O)C(=O)N2CCS[C@@H](C)C2)cc[nH]1 888097555 QUKCTOKZESQSLV-JTQLQIEISA-N 279.365 0.714 0 50 CCAA COc1cc(C)c(S(=O)(=O)Nc2cnn[nH]2)cc1OC 1775987766 FBAUECWUEMGCFU-UHFFFAOYSA-N 298.324 0.931 0 50 CCAA CCCN1C[C@@H](CNC(=O)N2C[C@@H](O)C3(CC3)C2)CC1=O 1775993267 XXCOAEFSMVSRKE-VXGBXAGGSA-N 295.383 0.411 0 50 CCAA Cc1noc(C)c1CC(=O)N1CC[C@H]2CNC[C@@H]2C1 261658594 YWQUVEDUHFWSHT-NWDGAFQWSA-N 263.341 0.902 0 50 CCAA CCc1nccn1CCCN1C[C@@H](C(=O)O)CC1=O 65396577 FEXBUHWUXZOOFT-JTQLQIEISA-N 265.313 0.769 0 50 CCAA Cc1cc(C(=O)NCc2csc(N)n2)nn1C 584897822 NSRTVDAMYBPOSY-UHFFFAOYSA-N 251.315 0.697 0 50 CCAA COCC1(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)COC1 2325811936 VYSFOQOXCFWNFX-LLVKDONJSA-N 299.758 0.973 0 50 CCAA COC[C@@]12COC[C@@H]1CN(c1nc(C)ccc1C(N)=O)C2 2356150944 JMGLDQVPOUOVLT-NHYWBVRUSA-N 291.351 0.588 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1OC 10008759 HZJSIUQKNRQUIF-UHFFFAOYSA-N 286.353 0.742 0 50 CCAA Nc1ncc(Cl)cc1S(=O)(=O)N1CCOCC1 178925078 NZFAGPOUDDPFKU-UHFFFAOYSA-N 277.733 0.338 0 50 CCAA Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2cc[nH]n2)cn1 347150743 VDYDFZXKHHODOR-JSGCOSHPSA-N 292.362 0.845 0 50 CCAA O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1ccccc1 26468583 PWKCCELQNORXKT-QWHCGFSZSA-N 266.366 0.257 0 50 CCAA Cc1cc(C)c(C(=O)N[C@@H]2CN3CCC2CC3)c(=O)[nH]1 65386420 UWCRYRBHEUWGCN-GFCCVEGCSA-N 275.352 0.816 0 50 CCAA C[C@@H]1CN(c2nccn(C(F)F)c2=O)C[C@@H](C)S1=O 329436445 JDFILMDWLBNABE-HTQZYQBOSA-N 291.323 0.984 0 50 CCAA O=C1NCC(=O)N2CCN(Cc3ccc(Cl)s3)C[C@H]12 65462121 JFQOEYBRRWWFIK-SECBINFHSA-N 299.783 0.544 0 50 CCAA CC(=O)N1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 72437282 GXVPGQDHEZKBIC-UHFFFAOYSA-N 286.339 0.639 0 50 CCAA CC[C@@H](NC(=O)CCNS(C)(=O)=O)c1nccs1 172409761 ICQCUBNLGMLORG-MRVPVSSYSA-N 291.398 0.650 0 50 CCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cncc(C)c1 67849864 FMURZQAZRBZNNM-RYUDHWBXSA-N 276.340 0.068 0 50 CCAA Cn1cnnc1SCCNC(=O)c1cnccn1 215883276 LEXXXJPJWHPDFQ-UHFFFAOYSA-N 264.314 0.127 0 50 CCAA COCCN1CN(C(=O)Nc2ccncc2F)CC1=O 282615617 HXMNKFQJKQCNIJ-UHFFFAOYSA-N 282.275 0.501 0 50 CCAA CCN(C(=O)C(=O)c1cccn1C)[C@@H]1CCS(=O)(=O)C1 219290348 UGLOBPQXOKDMIU-SNVBAGLBSA-N 298.364 0.243 0 50 CCAA CCCN(CC(=O)O)C(=O)[C@H]1CSCN1C(C)=O 330849830 MYHBXQDJEXMSMW-SECBINFHSA-N 274.342 0.231 0 50 CCAA O=C(C1CC1)N1CCCN(C[C@H](O)C(F)(F)F)CC1 121170708 RCNHEUVFIIOYMZ-JTQLQIEISA-N 280.290 0.854 0 50 CCAA Cc1ncc2c(c1CNC(=O)c1ccc[nH]c1=O)CCNC2 72411623 PDRZQCUXMMOYQQ-UHFFFAOYSA-N 298.346 0.654 0 50 CCAA CN1CCN(C)[C@H](CNC(=O)CCc2cccc(O)c2)C1 216105456 ZDYKLSFIAWTSCH-CQSZACIVSA-N 291.395 0.687 0 50 CCAA CCOC(=O)N1CCN(C(=O)C2CCN(C)CC2)CC1 72123811 YSJIKAAKSYHBLD-UHFFFAOYSA-N 283.372 0.629 0 50 CCAA O=C(Cn1ncc2ccccc21)N1CCOC[C@@H]1CO 223724107 VNAMVAWLNPPWSI-LBPRGKRZSA-N 275.308 0.256 0 50 CCAA CS(=O)(=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 222283226 RAMGHFDGOMARIE-VXGBXAGGSA-N 289.328 0.911 0 50 CCAA C[C@H](C(=O)NCc1nc(-c2ncccn2)no1)N(C)C 426510174 RRIDCSDUSUHVRL-MRVPVSSYSA-N 276.300 0.093 0 50 CCAA Cc1cc(=O)c2cccc(C(=O)N[C@H](C)C(N)=O)c2[nH]1 97288861 DHKZFROJDOUCDD-MRVPVSSYSA-N 273.292 0.440 0 50 CCAA CC(=O)NC[C@H]1CN(Cc2ccc3cn[nH]c3c2)CCO1 179709918 FNPKRRBLBUNNFQ-AWEZNQCLSA-N 288.351 0.900 0 50 CCAA CCCC[C@H](CO)NC(=O)c1cnc(NC)nc1 97572173 YSRWOUOIKVBVMY-SNVBAGLBSA-N 252.318 0.799 0 50 CCAA COC(=O)c1ccc(NC(=O)N[C@H]2CCNC2=O)cc1 95510204 YSFKYQNNOKGCSS-JTQLQIEISA-N 277.280 0.483 0 50 CCAA CCn1nccc1S(=O)(=O)N(C)C[C@@H]1CCCNC1 534640394 YPHCCVZJQQZXEV-LLVKDONJSA-N 286.401 0.523 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)CNC(=O)N(C)C 822619891 CQMXEURCLXHQFP-SNVBAGLBSA-N 267.333 0.049 0 50 CCAA CCN1CCC[C@@H]1CN1CCC2(CC1)CNCCO2 823110196 MZAPVCWMRUKGDE-CQSZACIVSA-N 267.417 0.925 0 50 CCAA C[C@](O)(CCCO)CNC(=O)c1cc(O)ccc1F 584884872 DETNOGIXBFEXJE-ZDUSSCGKSA-N 271.288 0.785 0 50 CCAA CCc1noc(CN(C)S(=O)(=O)N(C)C(C)C)n1 670473097 UOPJUDCKOOITTH-UHFFFAOYSA-N 276.362 0.649 0 50 CCAA CN(CCC(C)(C)O)C(=O)[C@@H]1CSC(C)(C)C(=O)N1 584899262 YSRQPGTYZHKOEH-VIFPVBQESA-N 288.413 0.616 0 50 CCAA COc1ccnc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)n1 670473350 BWFXDYIBSAKAIL-RYUDHWBXSA-N 278.356 0.521 0 50 CCAA CC(C)c1nnc(CN2CCO[C@@H](C(=O)N(C)C)C2)o1 670434964 SOJRDVSTABBLSF-SNVBAGLBSA-N 282.344 0.482 0 50 CCAA CCN1CCC[C@H]1C(=O)NCCN1CCC(CO)CC1 952986236 KJFUMTCZVXQFMZ-AWEZNQCLSA-N 283.416 0.291 0 50 CCAA Cc1ncc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N(C)C)cn1 1565511903 XIRMDIUDWRJUHK-RNJOBUHISA-N 276.340 0.232 0 50 CCAA CCS(=O)(=O)N1CCOC[C@@H]1c1nc(C)no1 408027423 LFXPXHWDHAHLEZ-MRVPVSSYSA-N 261.303 0.101 0 50 CCAA C=CC(=O)NC[C@H]1CC(=O)N(C)[C@@H]1c1nccn1C 408525903 KMEFDJOJRUFQLR-SKDRFNHKSA-N 262.313 0.242 0 50 CCAA C[C@H]1CN(CC(=O)NC(N)=O)c2cccc(F)c2O1 185985983 RCAAFBGMYWDKPX-ZETCQYMHSA-N 267.260 0.608 0 50 CCAA CCNC(=O)NC(=O)CN1CCSCC[C@@H]1C 170616730 ORAFLMLBWHRWDZ-VIFPVBQESA-N 259.375 0.660 0 50 CCAA COC(=O)[C@H](NCc1ccc(F)c(F)c1)[C@H](C)O 191966401 CTEMRUKWFBRZMG-WRWORJQWSA-N 259.252 0.977 0 50 CCAA O=C(Nc1cnns1)[C@@H]1COCCN1CC1CCC1 192217972 XVCBTBDDOVBQPU-JTQLQIEISA-N 282.369 0.978 0 50 CCAA CC1(C)[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)O)[C@@H]2CCO[C@H]21 647736867 PBRAODFXHDLRMZ-VAPHQMJDSA-N 253.298 0.637 0 50 CCAA Cc1nnnn1C[C@@H](O)COc1ccc(F)cc1 193414621 PGXIURFLNQRCLC-SNVBAGLBSA-N 252.249 0.561 0 50 CCAA CN1CC(=O)N(CCN2CC[C@H](C(C)(C)C)[C@@H](O)C2)C1=O 585094378 UEJFHHZDQYQAMX-RYUDHWBXSA-N 297.399 0.609 0 50 CCAA Cn1cccc1C(=O)NCCCn1cnc2c(N)ncnc21 585130297 MPLILRRWIZBORX-UHFFFAOYSA-N 299.338 0.567 0 50 CCAA O=C(Cn1ncn2nccc2c1=O)N[C@H]1CC=CCC1 1318962111 KGMONAMILYOBOM-JTQLQIEISA-N 273.296 0.116 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)N1CCN(C)CC1 1615615855 SIVGYYRKIJDETK-MRXNPFEDSA-N 289.379 0.569 0 50 CCAA Cn1cncc1C(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615735296 CJSWXBFVQCWCMH-STQMWFEESA-N 286.335 0.803 0 50 CCAA O=C(c1ccncc1F)N1CCC([C@@H](O)CO)CC1 1772706751 VGJRNNRSWSKZIO-LBPRGKRZSA-N 268.288 0.426 0 50 CCAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3cncn3C)C[C@@H]2CC1=O 1704350987 KVRIZMQWLWHNRE-GRYCIOLGSA-N 290.367 0.749 0 50 CCAA Cn1cnc(S(=O)(=O)N2CCCC[C@H]2CN)c1Cl 237815361 NJEKQPYKGUVUSJ-QMMMGPOBSA-N 292.792 0.575 0 50 CCAA O=C1N(CC2CC2)CCC[C@]1(O)CN1CCCOCC1 12048901 VUAVNJLELIJERT-HNNXBMFYSA-N 282.384 0.472 0 50 CCAA Cc1cnnc(N(C)CCN2CCOCC2)c1C 1857680319 GQDNUMJFGXLJPB-UHFFFAOYSA-N 250.346 0.862 0 50 CCAA Cc1cnc2cc(C(=O)N3CCO[C@H](CN)C3)ccn12 662766792 MTKIQVPHUWZKGC-GFCCVEGCSA-N 274.324 0.442 0 50 CCAA Cc1cc(C(=O)N(C)Cc2nncn2C)c2cnn(C)c2n1 585083481 ZGGHTPKEMYOGHH-UHFFFAOYSA-N 299.338 0.677 0 50 CCAA O=S(=O)(CC1(F)CC1)Nc1ccnc2ncnn12 903619454 BZUILTQTWKXJQG-UHFFFAOYSA-N 271.277 0.368 0 50 CCAA COc1cc(Cn2cnc3c(cnn3C3CC3)c2=O)on1 919329993 BJQBKSSCMPJMPB-UHFFFAOYSA-N 287.279 0.973 0 50 CCAA CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H](O)c1cnc[nH]1 865190603 BPNMQYQNMIQAAV-AGIUHOORSA-N 278.356 0.528 0 50 CCAA Cc1ccnc(N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)n1 952890031 MPKHHACEPJLGMX-GHMZBOCLSA-N 274.328 0.912 0 50 CCAA CO[C@]1(C)C[C@H](NS(=O)(=O)c2cn[nH]c2)C1(C)C 1875261112 MKGRFYNJTMGWEJ-GXSJLCMTSA-N 273.358 0.892 0 50 CCAA CCN(CC)[C@@H]1CCN(C(=O)N[C@@H]2CN(C)C[C@H]2OC)C1 1875277891 MDWBFGRZPOSUMB-MGPQQGTHSA-N 298.431 0.441 0 50 CCAA CN1CCN(C(=O)N2CCOCC2)c2ncccc2C1 1875316838 INJALXKRPQKKSV-UHFFFAOYSA-N 276.340 0.786 0 50 CCAA COCC1(S(=O)(=O)N2CCO[C@@H](C)C2)CCC1 1309030922 DXYZPZRJVGOAIK-JTQLQIEISA-N 263.359 0.606 0 50 CCAA Cc1cc(CNC(=O)[C@H]2C[C@H](O)CN2)ccc1F 150810845 QNNQAZAGRIVSGF-CMPLNLGQSA-N 252.289 0.473 0 50 CCAA CC(C)(C(=O)O)n1cc(NC(=O)c2ccnnc2)cn1 262858539 YPJRVSYAJKRSAW-UHFFFAOYSA-N 275.268 0.745 0 50 CCAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ncn[nH]1 97960644 GHQNMKXHBGBQQQ-RNFRBKRXSA-N 252.661 0.827 0 50 CCAA Cc1cc(O)nc(CCNC(=O)[C@H]2CCCNCC2)n1 534647932 IHXHFJRXFWDLIG-NSHDSACASA-N 278.356 0.539 0 50 CCAA COc1cccc(CN2CCO[C@H](c3nnnn3C)C2)n1 2100557171 XPYKALCSFNKFBE-NSHDSACASA-N 290.327 0.187 0 50 CCAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2cn[nH]c2)C1 2356140452 JPSUXBQPFZOKDA-HNNXBMFYSA-N 298.350 0.732 0 50 CCAA O=C(NCCOc1ccccc1)C(=O)NC[C@H]1CCCO1 2988549 SQUXENNQUKVOHC-CYBMUJFWSA-N 292.335 0.477 0 50 CCAA Cc1ccc(-c2nnc3[nH]c(=O)n(C)c(=O)c3n2)cc1 4386740 PXYDTOXNXVDRLB-UHFFFAOYSA-N 269.264 0.387 0 50 CCAA Cc1ccc(N2C(=O)C[C@@H](NCC(=O)O)C2=O)c(C)c1 4574979 POPOIGVXHDEKMX-SNVBAGLBSA-N 276.292 0.610 0 50 CCAA CN1CCN(NC(=S)NCCc2ccccc2)CC1 9187102 QKFBTDTTXLWDPV-UHFFFAOYSA-N 278.425 0.856 0 50 CCAA COc1cccc(OCC(=O)N2CCC(O)(CO)CC2)c1 67956110 AIPUTJLYMXEGIT-UHFFFAOYSA-N 295.335 0.420 0 50 CCAA CN1CCN(CCNS(=O)(=O)c2ccccc2)CC1 22934671 IWMUWWNBTKEHHV-UHFFFAOYSA-N 283.397 0.212 0 50 CCAA C[C@@H]1C[C@H](S(=O)(=O)N2CC[C@@]3(CCOC3)C2)CCO1 329591611 NWCSNDZBVLAYJS-JHJVBQTASA-N 289.397 0.996 0 50 CCAA O=C(CCn1cc(Cl)cn1)N1CCOC[C@@]12CCOC2 281664988 CCRUHZWTSUJJQI-ZDUSSCGKSA-N 299.758 0.945 0 50 CCAA O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@H]1CCCCO1 328625943 LEPPOYDSLZRRBJ-GHMZBOCLSA-N 264.329 0.925 0 50 CCAA CC(C)c1noc(CN2C(=O)NC3(CCNCC3)C2=O)n1 77490025 ORZDDTBNVCYUQK-UHFFFAOYSA-N 293.327 0.367 0 50 CCAA Cc1nnnn1CCCN1CCC[C@](O)(CN(C)C)CC1 72130875 ANTXIQDOXOSAAM-CQSZACIVSA-N 296.419 0.150 0 50 CCAA CC[C@@H](C)N(CC(=O)O)C(=O)[C@@H]1CCNC(=O)C1 237045064 XJNKJLRPFRDEHN-RKDXNWHRSA-N 256.302 0.224 0 50 CCAA Cn1ccnc1C[C@H]1CCCN(C(=O)[C@@H]2CCCN2)C1 237889633 ICLNZPMVDAVJDJ-OLZOCXBDSA-N 276.384 0.953 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CCc2nccs2)CCO1 263035843 VCUKYFADNDWROQ-MRVPVSSYSA-N 270.310 0.388 0 50 CCAA Cc1cc(N2CC[C@@](O)(c3c[nH]nn3)C2)nc(C)n1 284668838 WJCSFNRRYSHVEB-LBPRGKRZSA-N 260.301 0.309 0 50 CCAA Cc1cc(C)n2nc(C)c(C(=O)NCCc3cnn[nH]3)c2n1 426689348 XIFWZOHUZUPPDN-UHFFFAOYSA-N 299.338 0.745 0 50 CCAA Cc1cc(CNC(=O)[C@@H](C)N2CCN(C)CC2)ccn1 426411280 JRYMGILTQOWXHE-CYBMUJFWSA-N 276.384 0.642 0 50 CCAA CN1Cc2ccccc2C[C@@H]1CNC(=O)Cn1ccnn1 426658476 REJYNHZPZCSCHU-CQSZACIVSA-N 285.351 0.451 0 50 CCAA C[C@@H](Cn1cncn1)NC(=O)c1ncc(F)cc1F 222494317 OMJWNGGNVITFMQ-ZETCQYMHSA-N 267.239 0.770 0 50 CCAA O=C(CNC(=O)c1ccsc1)NCc1cccc(O)n1 543125248 SVXBOPRUYKBIQM-UHFFFAOYSA-N 291.332 0.895 0 50 CCAA O=C(O)[C@@H]1CN(Cc2ccc3c(c2)CCO3)CCO1 86805764 BHURUSOLGMRAES-ZDUSSCGKSA-N 263.293 0.907 0 50 CCAA COc1ccc(-c2nnnn2C)c(OC)c1OC 96138867 RMJKMZWMEULBGF-UHFFFAOYSA-N 250.258 0.903 0 50 CCAA NC[C@@H]1CCN(C(=O)c2ccccc2N2CCOCC2)C1 178577933 WHZJSPXUJGGFGO-ZDUSSCGKSA-N 289.379 0.944 0 50 CCAA Cc1cc(N2CCC3(CC2)OCCC[C@@H]3O)nc(N)n1 95355584 CRWCSFQXSJUAMK-NSHDSACASA-N 278.356 0.878 0 50 CCAA N[C@H]1CN(C(=O)c2ccc(CO)cc2)C[C@@H]1C1CC1 91586470 DCSBGGSLALKYGD-KGLIPLIRSA-N 260.337 0.988 0 50 CCAA Cc1nc(CCn2cc(-c3cncnc3)nn2)cc(=O)[nH]1 95358978 AZJBNCZNSULXBB-UHFFFAOYSA-N 283.295 0.370 0 50 CCAA Cc1ccc([C@H](C(=O)NC(C)(C)C(N)=O)N(C)C)cc1 91794517 RSARDLDJUCPXHB-GFCCVEGCSA-N 277.368 0.978 0 50 CCAA CS(=O)(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1 91596038 GZOHOLQPAGXUSH-LLVKDONJSA-N 282.365 0.610 0 50 CCAA Cc1ccccc1[C@@H]1CN(C(CO)CO)C[C@H]1C(=O)O 91270473 AIOZDAYORFQKSK-UONOGXRCSA-N 279.336 0.448 0 50 CCAA N[C@]12[C@H]3[C@@H]4[C@H]3[C@H]3[C@@H]1[C@H]2[C@]4(Br)C31OCCO1 252428207 ULOACUZXAWMIQS-OPCCIOTMSA-N 270.126 0.326 0 50 CCAA CC1=NO[C@](C)(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N)C1 534644147 MAPAQRQZFLHLEL-WGBDABJCSA-N 251.330 0.737 0 50 CCAA COc1ccc2c(c1)C(=O)N(CCN(C)C)CC(=O)N2 534662622 NORVICOZILIUJN-UHFFFAOYSA-N 277.324 0.651 0 50 CCAA Cc1cc(CC(=O)NCCN2CCC[C@H](CO)C2)on1 299777597 NFHQSFUKXHHWBE-LBPRGKRZSA-N 281.356 0.346 0 50 CCAA CCCn1cc(NC(=O)NCCc2nnc(N)s2)nn1 299800841 WPXCWIXXYCUUIY-UHFFFAOYSA-N 296.360 0.486 0 50 CCAA COCC[C@@H]1CN(S(=O)(=O)CC(C)C)CCO1 824384106 GPAGDOSCTDMLKC-LLVKDONJSA-N 265.375 0.710 0 50 CCAA C[C@H](CS(C)(=O)=O)N1CCC2(CCN(C)C2)CC1 823770106 MXZRHUGUQFZLFA-GFCCVEGCSA-N 274.430 0.837 0 50 CCAA CN(CC(=O)NCc1cncn1C1CC1)C1CCNCC1 823666873 PIJCAZKZWWOQRB-UHFFFAOYSA-N 291.399 0.518 0 50 CCAA O=C(O)CCNC(=O)NCc1nc2ccc(F)cc2[nH]1 828032264 MRKODLLNYJNYMU-UHFFFAOYSA-N 280.259 0.976 0 50 CCAA CN(CC(=O)NCc1cccc(CO)c1)C1CCNCC1 584887681 AAGYZNWWLJLAFO-UHFFFAOYSA-N 291.395 0.479 0 50 CCAA O=C(O)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 51603032 WHYUBQDDXPSEIK-NSHDSACASA-N 270.329 0.032 0 50 CCAA CCCS(=O)(=O)N(C)C[C@H]1CC(=O)N(CC)C1 952991881 WUGBZFMRJSPXOU-SNVBAGLBSA-N 262.375 0.526 0 50 CCAA Cc1cc(C)n(CCCC(=O)N[C@H]2COCC[C@@H]2O)n1 1565516651 SRGBZSSBFGTXEL-STQMWFEESA-N 281.356 0.546 0 50 CCAA NCC[C@@H]1CN(C(=O)/C=C/c2cc(CO)cs2)CCO1 952868125 ZDAUKLPACDHGHM-YYRQZUAOSA-N 296.392 0.830 0 50 CCAA Cn1nccc1[C@@H](N)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 958527934 IZNTVKINVWQQRN-BXUZGUMPSA-N 296.371 0.792 0 50 CCAA Cc1ccccc1SCC(=O)N[C@@H]1CCNC[C@H]1O 77518973 WRNMGCKETYIUJY-VXGBXAGGSA-N 280.393 0.926 0 50 CCAA CCN(CC)CC(=O)N1CCN(c2ncc(F)cn2)CC1 269442622 BMMAUYMOPKXWCA-UHFFFAOYSA-N 295.362 0.606 0 50 CCAA CN(C)c1noc(CN2CCCC3(C2)OCCO3)n1 170598216 QNGMUIMBJHDEJE-UHFFFAOYSA-N 268.317 0.475 0 50 CCAA Cc1cc(N2CC(=O)N(C3CC3)C2)n2ncnc2n1 279029062 DFCAYPVMRZKUTQ-UHFFFAOYSA-N 258.285 0.201 0 50 CCAA CCc1[nH]ccc1C(=O)N1CCC[C@](O)(CC(=O)NC)C1 644033468 UDNKXEQHXSFDDZ-HNNXBMFYSA-N 293.367 0.680 0 50 CCAA C[C@@H](CC(F)(F)F)NCCN(C)S(C)(=O)=O 67435117 JOZOCMKXWJQBTA-ZETCQYMHSA-N 262.297 0.808 0 50 CCAA COC[C@@H]1[C@H](NC(=O)c2cncn2C)[C@H]2CCO[C@@H]12 1074514813 WFQGXJPASTTXCW-CNVPUSNMSA-N 265.313 0.200 0 50 CCAA NC(=O)[C@]1(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CCOC1 585091105 YERNYZNKZFXIIO-DYNIEEOBSA-N 266.341 0.573 0 50 CCAA CCCCCOCC(=O)N1CCN(C)C[C@H]1CO 585127624 FNCAWLWSFSGEMN-LBPRGKRZSA-N 258.362 0.328 0 50 CCAA Cc1cc(COCC(=O)N2C[C@@H]3CC[C@]3(N)C2)no1 1615548616 YHQOGSKGCFFMNG-GWCFXTLKSA-N 265.313 0.449 0 50 CCAA CNC(=O)CN1CCC(N[C@H]2COC[C@@H]2CC(C)C)CC1 1616040269 BWRBHEBCTFUNEQ-ZFWWWQNUSA-N 297.443 0.848 0 50 CCAA Cc1c(C(=O)N2C[C@H](O)[C@@H](F)C2)cnc2ccnn12 1616099110 GGEBKFSXGNKUQT-UWVGGRQHSA-N 264.260 0.193 0 50 CCAA O=c1c2[nH]ccc2ncn1Cc1n[nH]c2c1CCC2 1857672162 AAJHVAUXIXCLBC-UHFFFAOYSA-N 255.281 0.985 0 50 CCAA COCCN1CC[C@@H](CN(C)c2nc(C(=O)O)co2)C1 1529090290 FYTZYABPMWLVNZ-JTQLQIEISA-N 283.328 0.777 0 50 CCAA C[C@@H](C(=O)N(CCO)Cc1ncc[nH]1)N1CCCCC1 1704302556 ACNRMTREMJYIFA-LBPRGKRZSA-N 280.372 0.605 0 50 CCAA N[C@H](Cc1ccncc1)C(=O)NCc1[nH]nc2ncccc12 1772809734 DYOBXZUMHINICZ-GFCCVEGCSA-N 296.334 0.539 0 50 CCAA CSCCC(=O)N1C[C@H]2CNC[C@]2(CN(C)C)C1 1772700724 DRIUBIRRNFBNGF-YPMHNXCESA-N 271.430 0.349 0 50 CCAA COC[C@@H](C)NC(=O)c1cnc2scc(C)n2c1=O 16647952 LHDWMBFYCNCSOG-SSDOTTSWSA-N 281.337 0.829 0 50 CCAA O=C1C[C@@H](N2CCOCC2)C(=O)N1C1CCCCC1 19881619 FIQPBTUGSJTEIR-GFCCVEGCSA-N 266.341 0.779 0 50 CCAA Cc1cnc2cc(C(=O)NC[C@@H]3CN(C)CCO3)ccn12 519660190 ZTENDDSIGNQEJN-CYBMUJFWSA-N 288.351 0.703 0 50 CCAA Cc1cnc(N2CCC[C@H]2CO)nc1N1CCC[C@@H]1CO 225297107 YFTHVGZUQGDJKE-OLZOCXBDSA-N 292.383 0.707 0 50 CCAA O=C(CN1CCOCC1)c1ccc2c(c1)OCCO2 19806006 WMPGOGWLGNXURO-UHFFFAOYSA-N 263.293 0.973 0 50 CCAA CN1C(=O)CN(C(=O)[C@H]2CCC(=O)N2C)c2ccccc21 934099846 MKZHNASVMLJEDA-GFCCVEGCSA-N 287.319 0.617 0 50 CCAA N[C@H]1CCN(c2cccc(CNC(=O)c3cc[nH]n3)n2)C1 864318538 RUMQHINMGXJMOQ-JTQLQIEISA-N 286.339 0.272 0 50 CCAA COCCCOCC(=O)N1CCCc2n[nH]cc2C1 952892517 OGHACHWOAQWQQG-UHFFFAOYSA-N 267.329 0.738 0 50 CCAA O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1C[C@@H]2C[C@H]1CS2 1875291678 ICMAAPQSVBYHIY-IMHINIOTSA-N 283.349 0.581 0 50 CCAA O=C(NN1CCSCC1)c1cc(O)nc(C2CC2)n1 1875313217 ZMXFXDRXHUMTCG-UHFFFAOYSA-N 280.353 0.753 0 50 CCAA C[C@@H]1CCCN1C(=O)CNC(=O)/C=C/CN(C)C 1875379053 MIXHNHFXHDKQFE-OKPNEXGHSA-N 253.346 0.231 0 50 CCAA O=C(O)[C@@H]1COCCN(CCn2cc(Cl)cn2)C1 700435693 UJPGONARZQJICQ-VIFPVBQESA-N 273.720 0.570 0 50 CCAA Cc1cccc(CC(=O)N2CCN(C)[C@H](C(=O)O)C2)c1 67724156 YJDOINOOGDMAOR-ZDUSSCGKSA-N 276.336 0.765 0 50 CCAA CCN1CC[C@@H](N=c2nc(OC)cc(OC)[nH]2)C1 389313856 GJHSESOZKIWBLX-SECBINFHSA-N 252.318 0.422 0 50 CCAA CNC1(C(=O)N(C)Cc2csnc2OC)CC1 723220817 GYVVLLXPEFGOBM-UHFFFAOYSA-N 255.343 0.862 0 50 CCAA CCS(=O)(=O)[C@@H](C)C(=O)N=c1[nH][nH]c2c(F)cccc12 2100544899 AMYQPOWQGDNCAT-ZETCQYMHSA-N 299.327 0.886 0 50 CCAA CN(C)[C@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@@H]1O 571700015 NOPAJMZERYXNSV-STQMWFEESA-N 274.324 0.310 0 50 CCAA CC(=O)NC[C@@H]1CCCCN1Cc1nnc2cccnn12 2325803882 HYXTZOJWGCOMRL-LBPRGKRZSA-N 288.355 0.615 0 50 CCAA C=CC(=O)N(CC)CC(=O)NCc1ccc(O)nc1 900747908 MVNFAVOCCPPQIZ-UHFFFAOYSA-N 263.297 0.438 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)CN1C(=S)Nc1ccccc1 174759 SXSUDRGUXPALIB-UWVGGRQHSA-N 266.322 0.903 0 50 CCAA biogenic O=C1c2ccc(Br)cc2C(=O)N1n1cnnc1 290333 ZXNGJVBAMKNYIJ-UHFFFAOYSA-N 293.080 0.973 0 50 CCAA COC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 4038545 BHEWJAXNLVWPSC-NQMVMOMDSA-N 258.343 0.885 0 50 CCAA biogenic CC(C)[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)O 4787338 IEHDJWSAXBGJIP-NEPJUHHUSA-N 264.325 0.782 0 50 CCAA endogenous,in-man CCN1CCC[C@H](CNS(=O)(=O)C[C@H](C)OC)C1 225428073 RFUUNSGVMDZQJO-NWDGAFQWSA-N 278.418 0.673 0 50 CCAA CNc1nc(C)cc(C(=O)NC2CCOCC2)n1 280766536 MBHYIKNTHUVWCB-UHFFFAOYSA-N 250.302 0.736 0 50 CCAA COC(=O)CN1CCC(N[C@@H]2CCNC2(C)C)CC1 67688783 XORZRHGAPANURI-GFCCVEGCSA-N 269.389 0.354 0 50 CCAA COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1O 65397426 KVIWMAYIBZTNLV-SSDOTTSWSA-N 251.238 0.838 0 50 CCAA O=C([C@H](O)c1ccc(Cl)cc1)N1CCC(O)(CO)CC1 67878992 GFLJMJYEPMKSSM-GFCCVEGCSA-N 299.754 0.719 0 50 CCAA O=C(N[C@H]1CCOC1)c1ccnc(NC(=O)C2CC2)c1 354338266 FEBZILRWJKJBFC-NSHDSACASA-N 275.308 0.949 0 50 CCAA Cc1ncc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)cn1 219846021 XIRMDIUDWRJUHK-YVECIDJPSA-N 276.340 0.232 0 50 CCAA O=C(C[C@H]1CCNC1)NCCNC(=O)c1ccc(F)cc1 128487287 HIRLPGYKQOXVDW-LLVKDONJSA-N 293.342 0.671 0 50 CCAA CSc1c(C(=O)N2CCOC[C@]23CCOC3)cnn1C 328694609 GBUCRDKZTHHFMM-CYBMUJFWSA-N 297.380 0.774 0 50 CCAA CCN1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1c1ncc[nH]1 328624430 JWIJHVPNGYIJEJ-LBPRGKRZSA-N 288.355 0.581 0 50 CCAA CCc1nccn1CC(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 72141807 ZTYJPXFATGBYJN-AWEZNQCLSA-N 292.339 0.499 0 50 CCAA Cn1nccc1C(=O)N1CCC[C@H](Cn2cncn2)C1 331368175 BWEVRAIRFRQUSG-NSHDSACASA-N 274.328 0.564 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)/C=C\C(N)=O)cc1 71778539 XKJKZMFYPYPYMK-SREVYHEPSA-N 268.294 0.418 0 50 CCAA c1nc(-c2noc([C@@H]3CCc4n[nH]cc4C3)n2)n[nH]1 328884908 YUCXTXCIMOSEAF-ZCFIWIBFSA-N 257.257 0.850 0 50 CCAA O=C(CN1CCCS1(=O)=O)N(CC1CC1)CC1CC1 329321299 UJJDAIHYQAGVDI-UHFFFAOYSA-N 286.397 0.671 0 50 CCAA Cc1cccc(CN2CC[C@H](O)C[C@@H]2C(=O)O)n1 65393657 ARPKTMPXZFKAEP-NWDGAFQWSA-N 250.298 0.800 0 50 CCAA O=S1(=O)CCC[C@H](Nc2nccn3nccc23)C1 129453534 SFTPHHICPWGBJC-VIFPVBQESA-N 266.326 0.718 0 50 CCAA CN(C)C[C@]1(O)CCCN(C(=O)c2ncccc2O)C1 72129664 KTWJWGAAAFFCPM-CQSZACIVSA-N 279.340 0.316 0 50 CCAA Nc1ccc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)cn1 215331257 QRKLVRARCDNXCL-GFCCVEGCSA-N 288.351 0.891 0 50 CCAA O=C(C(=O)N1CC[C@@]2(CCOC2)C1)N1CC[C@@H](C2CC2)C1 336282177 CLUKIIGKKJCNHK-CZUORRHYSA-N 292.379 0.884 0 50 CCAA CCCN(CC(=O)O)C(=O)c1ccc(C)[nH]c1=O 132985717 LLDBENBPIIIKAJ-UHFFFAOYSA-N 252.270 0.620 0 50 CCAA Cc1ccc([C@H](C)NC(=O)CN2CCOCC2)nc1 223197924 LKHVSZBOJMGRFB-LBPRGKRZSA-N 263.341 0.899 0 50 CCAA CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCNCC2)C1 328579425 HQFQKQYBDAOXDG-JTQLQIEISA-N 268.357 0.929 0 50 CCAA Cc1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)n1C 288628767 WJDAZKJAWSWUHD-CYBMUJFWSA-N 279.384 0.910 0 50 CCAA CSCC[C@@H](NC(=O)Cc1nonc1C)C(=O)O 426438971 RENUSMYJIBECFT-SSDOTTSWSA-N 273.314 0.243 0 50 CCAA C[C@H](Cn1cncn1)NC(=O)CN(C)Cc1ccncc1 223718226 YLGQDAWQNNZZJT-GFCCVEGCSA-N 288.355 0.310 0 50 CCAA CN(C)c1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96160540 QUGJRRBFWKFPNN-UHFFFAOYSA-N 294.355 0.741 0 50 CCAA C[C@H](NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)O 178831425 BXZSYZCOMRMNFU-HCWXCVPCSA-N 282.218 0.033 0 50 CCAA CC(=O)c1ccc(N2C[C@H](CO)[C@H](CN(C)C)C2)nc1 91594274 UXTPBGBEXXXQDD-ZIAGYGMSSA-N 277.368 0.891 0 50 CCAA CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 238937435 VJRHTNSLYDVIAG-FBDQPXRJSA-N 263.293 0.903 0 50 CCAA CCc1nnc(CNC(=O)CSCc2nc(C)no2)o1 426399385 JPMYALOILRXDLJ-UHFFFAOYSA-N 297.340 0.873 0 50 CCAA CCN1C[C@H](C(=O)NCc2cnn3cccnc23)CC1=O 95372734 JDBZSGMMCBNGSS-SNVBAGLBSA-N 287.323 0.214 0 50 CCAA CCCC[C@@H]1C(=O)N(C)CCN1Cc1nc(C)n[nH]1 252486494 HMERSNJJJMMHOY-LLVKDONJSA-N 265.361 0.946 0 50 CCAA C[C@H](O)CC(=O)O[C@@H](C)CC(=O)O[C@H](C)CC(=O)O 257400895 CWLWBMWELZSMPG-YIZRAAEISA-N 276.285 0.486 0 50 CCAA biogenic Nc1ncc(C(=O)N2CCC[C@@]3(CCNC3)C2)s1 534652413 QDLDEMRFROPHIZ-LBPRGKRZSA-N 266.370 0.941 0 50 CCAA Fc1cnc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)nc1 299768906 NGQRYXQCCLLOGP-QWRGUYRKSA-N 276.275 0.557 0 50 CCAA COCCNCCc1cn(CCCc2nc(C)no2)nn1 1331244923 WPOLAKRSJPLNHO-UHFFFAOYSA-N 294.359 0.381 0 50 CCAA Cn1nc(CO)c2c1CCN([C@@H]1CCSC1)C2 584901702 QRUVMPRHBNBGRF-SECBINFHSA-N 253.371 0.776 0 50 CCAA O=C(NCCN1CCCC[C@H]1CO)c1cncc(F)c1 670453701 AEWLHSGJKWKCTO-ZDUSSCGKSA-N 281.331 0.797 0 50 CCAA CCOCC1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 670461080 WGHXGZYTRNAQEN-GFCCVEGCSA-N 289.397 0.696 0 50 CCAA CN(CCN(C)C1CCCC1)C(=O)CSCC(N)=O 584884247 QKOACRYHTGXWLF-UHFFFAOYSA-N 287.429 0.538 0 50 CCAA Cc1cc(C(=O)NCC2CCN([C@H](C)C(N)=O)CC2)no1 1001179957 KZYISOJNICGINU-SNVBAGLBSA-N 294.355 0.299 0 50 CCAA CCc1ncoc1C(=O)N1CCC[C@@H](CC(N)=O)C1 1346883118 NEZXRCIBKBNUBX-VIFPVBQESA-N 265.313 0.965 0 50 CCAA CCc1oncc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(C)=O 1565528696 OMOYSZNADINCKD-MHNYQROPSA-N 293.323 0.259 0 50 CCAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@@H]1CCOC1 952860139 FZHHYVXFILPATF-SECBINFHSA-N 289.295 0.646 0 50 CCAA COc1ccc(C)cc1NC(=O)N[C@@H]1CCC(=O)NC1=O 271192388 SLFSBNIMYOBIHZ-SECBINFHSA-N 291.307 0.930 0 50 CCAA NS(=O)(=O)N1CC[C@@]2(C1)OCc1ccccc12 185924057 VEICYFFBCQTMDG-NSHDSACASA-N 254.311 0.321 0 50 CCAA CCn1ncc2ncn(Cc3cnc(C)nc3)c(=O)c21 631020124 WCGXTFKXPYNQKR-UHFFFAOYSA-N 270.296 0.760 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccoc2)CN1C 95508595 UIKLYEWQQVZFSC-OLZOCXBDSA-N 293.367 0.951 0 50 CCAA O=C(NC[C@@H](O)c1ccc(Cl)cc1)[C@H]1CNCCO1 187372750 QXQNJZHOLATLSH-VXGBXAGGSA-N 284.743 0.478 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(c2cnccn2)C1 643720041 SNGZXWSDOAPTKZ-ZDUSSCGKSA-N 264.329 0.286 0 50 CCAA CC(C)CN1CCO[C@H](CNC(=O)Nc2ccncn2)C1 194178929 GZKLMSNSMCKKAU-GFCCVEGCSA-N 293.371 0.955 0 50 CCAA CS[C@@H](CO)[C@H](C)NC(=O)c1[nH]c(C)nc1C 598691754 WHEAYKLRYPEMSB-RCOVLWMOSA-N 257.359 0.869 0 50 CCAA CC[C@@H]1C(=O)NCCN1C[C@@H](OC)C1CCOCC1 585116920 MKLHGQWUQGGDDS-CHWSQXEVSA-N 270.373 0.638 0 50 CCAA NS(=O)(=O)C1CN(C(=O)Nc2ccccc2Cl)C1 952850155 UWFCFLBNESEEKH-UHFFFAOYSA-N 289.744 0.845 0 50 CCAA N[C@H]1CC12CC(NS(=O)(=O)N1CCCCC1)C2 1615588049 BLTFJOSMUSFVNX-YVNMAJEFSA-N 259.375 0.187 0 50 CCAA O=C1OCCN1C1CCN(CC[C@@H]2COCCO2)CC1 1775983330 VVRFJKGDVKWZCB-CYBMUJFWSA-N 284.356 0.709 0 50 CCAA O=C(NC12CC(C(=O)O)(C1)C2)N1CCOC2(CCC2)C1 1875275359 BYDVAGXJELJMTI-UHFFFAOYSA-N 280.324 0.958 0 50 CCAA C[C@H](CC(=O)O)NC1CCN(C(=O)N(C)C)CC1 1875344291 BFDCCXVCDADJBH-SECBINFHSA-N 257.334 0.585 0 50 CCAA NC[C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)CCO1 111184192 VCIBECYRKVTFEG-YPMHNXCESA-N 276.336 0.739 0 50 CCAA CC1(C)O[C@@H]2C(=O)[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]2O1 4262106 QSRFRZJIRAOQSJ-PEBGCTIMSA-N 258.270 0.583 0 50 CCAA in-vitro COCC1(O)CCN(c2nc(C)cc(OC)n2)CC1 340079523 HPFFFGAASHGSOX-UHFFFAOYSA-N 267.329 0.771 0 50 CCAA CNC(=O)[C@H]1CCCN(c2ncc(C)c(O)n2)C1 1875319792 RWJHQNJXVDARCL-VIFPVBQESA-N 250.302 0.453 0 50 CCAA Nn1cnnc1SCC(=O)NC1CCCCC1 5581145 GHOXKJJGABHKOC-UHFFFAOYSA-N 255.347 0.533 0 50 CCAA COc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)N(C)C 12653645 GIOGCKNUWGWJHH-UHFFFAOYSA-N 298.364 0.838 0 50 CCAA Cc1nc([C@@H]2CCc3ncnn3C2)n(-c2cnn(C)c2)n1 1857678084 RXIAKRLMYFYQMO-SNVBAGLBSA-N 284.327 0.631 0 50 CCAA COC(=O)c1cc(=N)[nH]c(N2CCc3nc(C)[nH]c3C2)n1 1857709693 MBIHUODGYWHRIF-UHFFFAOYSA-N 288.311 0.270 0 50 CCAA O=C(N1CC[C@@H](Oc2ccccn2)C1)[C@@]1(O)CCOC1 334129943 SRULXPDCHLAWFX-BXUZGUMPSA-N 278.308 0.213 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1ccccn1)C2 1704309333 REZFTSMFMNTESQ-JSGCOSHPSA-N 275.352 0.413 0 50 CCAA O=C(O)C1CC2(C1)C[C@H](NC(=O)C1(O)CCCC1)CCO2 910615958 PTHPLHJXIXWGQU-IQLKVPPVSA-N 297.351 0.820 0 50 CCAA CC1=NO[C@](C)(C(=O)N2CCN(C3CC3)C(=O)C2)C1 928996571 WGPFDHNDJOXTNO-ZDUSSCGKSA-N 265.313 0.375 0 50 CCAA C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1C(=O)c1cnn(C)n1 1875277753 CLVSWIZYKFWWMZ-AYMMMOKOSA-N 266.301 0.529 0 50 CCAA Cc1ccc(O)c(C(=O)N2CC[C@@H](Cc3nn[nH]n3)C2)c1 1875285990 JGORNAWTWHTZAR-JTQLQIEISA-N 287.323 0.919 0 50 CCAA COC(=O)c1cc(CN2CC[C@H](CO)C2)n(C)n1 1875281452 BLWBZWYONBOJOE-VIFPVBQESA-N 253.302 0.021 0 50 CCAA O=C(O)c1cc(CCNC(=O)[C@@H]2C[C@@H]3CC[C@@H]32)[nH]n1 1875313397 MQMRXZAOBUOGCB-UJNFCWOMSA-N 263.297 0.813 0 50 CCAA Cc1ccc(C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)n1C 889646187 HDQXQKCBFGNUTK-AWEZNQCLSA-N 289.339 0.204 0 50 CCAA COCc1cn(Cc2nsc(N(C)C)n2)nn1 1775994593 ZGYHLVHQIZCZBY-UHFFFAOYSA-N 254.319 0.390 0 50 CCAA C[C@H]1CN(C(=O)C2CN(C3CCOCC3)C2)CC[C@H]1O 897453581 OQWDEGYPAKUILV-SMDDNHRTSA-N 282.384 0.327 0 50 CCAA Cc1nc2n(n1)CCN(C(=O)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1N)C2 262680857 XEEWJYAWIDZOHY-DJIHRAIXSA-N 275.356 0.302 0 50 CCAA O=C(C[C@@H]1CNCCO1)NCc1ccc2nsnc2c1 534590077 ZKOAEVMJOKWYIY-SNVBAGLBSA-N 292.364 0.686 0 50 CCAA COCc1noc(CN2CCC[C@]2(COC)C(=O)O)n1 643877945 FEIGXBAQZLWPFA-LBPRGKRZSA-N 285.300 0.282 0 50 CCAA CCN1C[C@H](Nc2cc(C(=O)O)ncn2)CC1=O 705789980 ISQSBBLRQYFAPU-SSDOTTSWSA-N 250.258 0.208 0 50 CCAA O=C(CCn1cnnc1)N(CCO)Cc1cccs1 952975832 MAGDXPYGRFXQFR-UHFFFAOYSA-N 280.353 0.751 0 50 CCAA CC1=C(C(N)=O)C(c2ccco2)C(C(N)=O)=C(C)N1 19418626 LLJMAYNIGALNBU-UHFFFAOYSA-N 261.281 0.485 0 50 CCAA O=C(NCCc1nn[nH]n1)[C@H]1SCCc2sccc21 2325807019 UUUCUZRXKGBNHH-JTQLQIEISA-N 295.393 0.951 0 50 CCAA O=c1[nH]cc(-c2cccc(Br)n2)c(=O)[nH]1 334551 NEMNPKYHIHTMIW-UHFFFAOYSA-N 268.070 0.888 0 50 CCAA O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCOCC1 440419 WMQVMYNQVDMYOR-UHFFFAOYSA-N 288.303 0.812 0 50 CCAA O=S1(=O)C[C@@H](Nc2ccc(Cl)cc2)[C@@H](O)C1 988924 BGCCMXFVNQHEJF-ZJUUUORDSA-N 261.730 0.910 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)N(CCO)Cc2ccccc2)C1 2356145890 WZBBTQCEUOELTE-HUUCEWRRSA-N 292.379 0.320 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)CCOC(C)C)N(C)C1 346702884 VGURZMXYSXPEOT-STQMWFEESA-N 272.389 0.979 0 50 CCAA CN(Cc1ccccc1-n1cccn1)C[C@H](O)CO 65491462 GHQWSHZJUHRJBJ-ZDUSSCGKSA-N 261.325 0.657 0 50 CCAA O=C([C@H]1CCc2nncn2C1)N1CCC(F)(F)C1 328952789 IAHRKPPRQYHTNK-QMMMGPOBSA-N 256.256 0.708 0 50 CCAA CCOc1ncccc1C(=O)N[C@@H](C)c1nc(=O)[nH][nH]1 215370227 DQEYPCGANIOGQD-ZETCQYMHSA-N 277.284 0.383 0 50 CCAA Cc1onc(N)c1S(=O)(=O)NCc1ccccn1 72240906 TZHNIJDGRJXVIV-UHFFFAOYSA-N 268.298 0.439 0 50 CCAA O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@H]1CCCS1 328617384 CQPSQAZVMWSFIY-NXEZZACHSA-N 266.370 1.252 0 50 CCAA COc1cc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)on1 328628948 OFXPRJKHLYIDMO-VIFPVBQESA-N 291.311 0.535 0 50 CCAA COCCN1CN(C(=O)c2cscn2)CC1=O 282419929 JICVTMXWSNXFOY-UHFFFAOYSA-N 255.299 0.031 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(C(=O)N1CCOCC1)C1CC1 126869295 RMGDSPBJBHMAGV-JTQLQIEISA-N 290.385 0.336 0 50 CCAA Cn1ccc(S(=O)(=O)N2C[C@H](O)Cc3ccccc32)n1 332001569 PHXPRIBBZQFJRL-LLVKDONJSA-N 293.348 0.532 0 50 CCAA CCC[C@@H](N)CNS(=O)(=O)c1c(C)nn(C)c1C 158392385 XIUSNOBNIPUVQH-SNVBAGLBSA-N 274.390 0.443 0 50 CCAA NC[C@H](NC(=O)[C@@H]1C[C@@]12CCNC2)C1CCCC1 333646299 VCTXNSVZCWDBHY-SGMGOOAPSA-N 251.374 0.620 0 50 CCAA C[C@H]1C[C@@H](C)CN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 241338641 MCQOWQOTAJGLJI-TUAOUCFPSA-N 288.413 0.268 0 50 CCAA CN1C(=O)C[C@@H](N2CCC(c3ccncn3)CC2)C1=O 333937007 LBWSXEPKYKWCOX-GFCCVEGCSA-N 274.324 0.413 0 50 CCAA NCc1nc(O)c2nnn(Cc3ccccc3)c2n1 49478757 LSIQGXFUVPMWOV-UHFFFAOYSA-N 256.269 0.434 0 50 CCAA COc1cccc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c1F 285418389 HTQPEBFNFKBKEK-CQSZACIVSA-N 296.298 0.287 0 50 CCAA CN(Cc1cc[nH]n1)C(=O)[C@H]1CCc2cncn2C1 335547363 FTVNHCPCNRUWQL-JTQLQIEISA-N 259.313 0.827 0 50 CCAA Cc1nc(CN2CCC[C@](O)(Cn3ccnn3)C2)oc1C 284592221 PALZUXNNRNPUIT-CQSZACIVSA-N 291.355 0.910 0 50 CCAA COc1ccc(CC(=O)N2CCC[C@](O)(C(N)=O)C2)cc1 285649523 UMNOSUFOWAHIPO-OAHLLOKOSA-N 292.335 0.077 0 50 CCAA O=C(c1ccoc1Cl)N1CC[C@](O)(c2c[nH]nn2)C1 284991611 ZFHMPNCIHDIOHW-LLVKDONJSA-N 282.687 0.785 0 50 CCAA Cc1cc2c(cc1C(=O)N[C@@H]1CCOC[C@H]1O)OCCO2 222661307 IEQACEBKZHLLJH-VXGBXAGGSA-N 293.319 0.646 0 50 CCAA O=C1NCCCc2[nH]c(-c3ccc4[nH]c(=O)[nH]c4c3)nc21 95352118 VSPGEBFOCVFGSR-UHFFFAOYSA-N 283.291 0.922 0 50 CCAA CCc1nc2ccccc2n1CCC(=O)NCc1nn[nH]n1 426690764 VXHUWQXTIJFTPO-UHFFFAOYSA-N 299.338 0.818 0 50 CCAA CCn1cc(S(=O)(=O)N2CC(C)(C)[C@@](C)(O)C2)cn1 91518767 DZZZRECMCHFWKT-LBPRGKRZSA-N 287.385 0.685 0 50 CCAA COC(=O)c1ccc(C(=O)Nc2n[nH]c(C)n2)n1C 293138901 ROYBAMQKKNWWBJ-UHFFFAOYSA-N 263.257 0.491 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)c2ccc[nH]c2=O)C1 91594598 PKUYZVJCHMOBRW-OAHLLOKOSA-N 294.351 0.626 0 50 CCAA CN1CCN(C)[C@@H](CC(=O)NCCc2cccnc2)C1 244852809 UZMLIFLHTLONDR-AWEZNQCLSA-N 276.384 0.376 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)CC(=O)N2)C1 211341064 XIWXXFOVFFAQNF-ZDUSSCGKSA-N 268.313 0.845 0 50 CCAA COc1c[nH]c(C(=O)NCc2c[nH]nc2C)cc1=O 604419451 STZRBLGNTHLRMF-UHFFFAOYSA-N 262.269 0.345 0 50 CCAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1CCCNC1)C2 534583212 PQKZZXWNTAEIFK-NDBYEHHHSA-N 252.358 0.869 0 50 CCAA CN(C)c1cc(Sc2nnc(CN)n2C)ncn1 534669742 UFWWLTDSETYVGA-UHFFFAOYSA-N 265.346 0.281 0 50 CCAA O=S(=O)(NCCc1nccs1)N1CCCC1 264160812 FSFVFDUTXQMJDJ-UHFFFAOYSA-N 261.372 0.616 0 50 CCAA Cc1c(C(=O)N[C@H]2C[C@@H](C(=O)O)N(C)C2)ccn1C 534651653 HASZVCOKKRGHPS-ONGXEEELSA-N 265.313 0.221 0 50 CCAA CCc1c(C)nn(C)c1NC(=O)NCCN1CCNC1=O 299792556 FJFRMIDBJDAUMS-UHFFFAOYSA-N 294.359 0.438 0 50 CCAA CCn1cc(C(=O)N2C[C@H](N(C)C)C[C@H]2C(=O)O)cn1 299790092 BEIPYGKUSAKEIE-MNOVXSKESA-N 280.328 0.132 0 50 CCAA Cc1[nH]nc2c1CN(C(=O)CN(C)C1CCNCC1)CC2 823666865 CMGXDADUIJYMRW-UHFFFAOYSA-N 291.399 0.287 0 50 CCAA CC(=O)N[C@@H](C)C(=O)N(C)CC1(CO)CCCC1 584898581 KWCLDTISRQUXMG-JTQLQIEISA-N 256.346 0.522 0 50 CCAA COCCc1nc(Cn2cnc3cccnc3c2=O)no1 584885326 VJKAFRFVJKAWSE-UHFFFAOYSA-N 287.279 0.412 0 50 CCAA CN1CCN(CC(=O)NCC2CCCCC2)C[C@H]1CO 585136513 IWYFSLNRMYXXKE-AWEZNQCLSA-N 283.416 0.291 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N[C@H](C)c1ncnn1C 584888433 SZMOELIPNMFVHJ-SECBINFHSA-N 262.317 0.575 0 50 CCAA Cc1cc2nc(CN(C)S(N)(=O)=O)[nH]c2cc1C 670461333 HZPQOOQBMMZKTI-UHFFFAOYSA-N 268.342 0.815 0 50 CCAA Cc1nnsc1CN(C)CC(=O)NC[C@H]1CCCO1 244626528 FNJSRJUJGNIBQH-SNVBAGLBSA-N 284.385 0.574 0 50 CCAA CC1(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)COC1 1553450244 QDNPQDDXGBYWRG-SNVBAGLBSA-N 253.346 0.546 0 50 CCAA Cc1cc(N)n(CC(=O)NC[C@@H](c2ccco2)N(C)C)n1 952987532 OHTNIUWRHOOVRM-NSHDSACASA-N 291.355 0.786 0 50 CCAA Cc1nn(CCO)cc1CN(C)C[C@]1(C)CCN(C)C1 952983872 YGECQTNXZSAVQY-OAHLLOKOSA-N 280.416 0.957 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 408010589 PJQFSMHZTZQBDQ-HTQZYQBOSA-N 294.273 0.427 0 50 CCAA CC(C)[C@@H](CO)ONC(=O)[C@@H]1CCCCC(=O)N1 408522274 GQRJCTVQXYFWHJ-VHSXEESVSA-N 258.318 0.110 0 50 CCAA Nc1cccc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)c1 279156825 PLAOKPBDZAAQRV-UHFFFAOYSA-N 281.337 0.222 0 50 CCAA COCC[C@@H](C)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 275731798 ZWCMZLQMSHQRKD-CHWSQXEVSA-N 294.399 0.764 0 50 CCAA C[C@@H]1OCC[C@@H]1C(=O)NC[C@H](n1cncn1)C(F)(F)F 633984205 LWFOMWRMOUAOKU-CIUDSAMLSA-N 292.261 0.923 0 50 CCAA COC[C@H](C)n1ccc(NC(=O)N2CCNC(=O)C2)n1 189779723 KGJHYTPPDHPYAP-VIFPVBQESA-N 281.316 0.054 0 50 CCAA CCn1cnc2c(N[C@@H]3C[C@@H](C(=O)O)C[C@@H]3O)ncnc21 662897704 VNUGEKURDNTLCC-HLTSFMKQSA-N 291.311 0.482 0 50 CCAA Cc1ccnc(N2CCC[C@@](O)(c3cnn[nH]3)C2)n1 583616784 CFMOGYCYTRZMTN-LBPRGKRZSA-N 260.301 0.391 0 50 CCAA CCn1nc(C(C)C)cc1C(=O)N1C[C@@H](O)CO1 92020034 SDOHINZJRGHENC-SECBINFHSA-N 253.302 0.775 0 50 CCAA CCNC(=O)CN1CCN(Cc2ccc(F)nc2)CC1 779154019 NERHQRVKAILNGI-UHFFFAOYSA-N 280.347 0.474 0 50 CCAA O=S(=O)(Cc1nnnn1C1CC1)c1cccnc1 1641432576 MTPNLPPZEVISPG-UHFFFAOYSA-N 265.298 0.377 0 50 CCAA CCCNC(=O)CN1CCN(Cc2ccncc2F)CC1 1615571955 IBRVDNHAECUHSV-UHFFFAOYSA-N 294.374 0.865 0 50 CCAA Cc1nc(C)n(CCCNC(=O)c2nc(Cl)n(C)n2)n1 1857695923 FDYUCJMSKQYQBT-UHFFFAOYSA-N 297.750 0.497 0 50 CCAA CN1CCN(C(=O)CCC(F)(F)F)[C@H](CN)C1 122650699 PPZZSFGTGYJKLO-MRVPVSSYSA-N 253.268 0.430 0 50 CCAA COc1nc(C)cc(N(C)CC2(O)CCOCC2)n1 548692917 UQFLBJMZFWVJSK-UHFFFAOYSA-N 267.329 0.771 0 50 CCAA Cc1cccc(C(=O)N2CC[C@@]3(CNC(=O)CO3)C2)n1 1772816009 DFROHLMSVPMCKF-CQSZACIVSA-N 275.308 0.121 0 50 CCAA CN(CCCN1CCOCC1)C[C@H]1CCC(=O)N(C)C1 1772816338 OHHHVKZDYBZSKB-CQSZACIVSA-N 283.416 0.509 0 50 CCAA CC(C)(C)CN1C[C@@H](NC(=O)C2=NNC(=O)CC2)CC1=O 12072725 BKSUXEOIAOVNHA-VIFPVBQESA-N 294.355 0.016 0 50 CCAA O=C(NCCN1CCOCC1)[C@@H]1COc2ccccc2O1 19782469 HVBJSLGYFGKQCI-AWEZNQCLSA-N 292.335 0.275 0 50 CCAA Cc1ccc(-c2noc(CN3C[C@@H](N)C[C@@H](O)C3)n2)cc1 1857677842 OJUIGCGOUFNORO-QWHCGFSZSA-N 288.351 0.939 0 50 CCAA O=C(c1cncc(O)c1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857717359 MJCJQADHCQLHPM-ICCXJUOJSA-N 278.308 0.399 0 50 CCAA Cc1[nH]nc2c1CN(C(=O)[C@@H]1CCc3ncnn3C1)CC2 1857723228 WUNIQEQZSFPGPL-SNVBAGLBSA-N 286.339 0.457 0 50 CCAA O=C(NCCCN1CCc2ccccc21)[C@@H]1C[C@@H](O)CN1 226825691 TXUUXWQWFCKEME-KGLIPLIRSA-N 289.379 0.278 0 50 CCAA CCn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cc[nH]n1 328644800 ZIWHLKUVVSAUGY-BXKDBHETSA-N 275.312 1.342 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1ncc(C)cn1 643828794 IZDYOQJCQMHVEY-AWEZNQCLSA-N 278.356 0.512 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1noc(C2CC2)n1 643825735 XYMRVEHMEMADFT-CYBMUJFWSA-N 280.328 0.413 0 50 CCAA Cn1cc([C@@]2(C)CN(C(=O)[C@@](C)(N)C3CC3)CCO2)cn1 237710249 GQNNXBCRRZRAKS-CABCVRRESA-N 292.383 0.622 0 50 CCAA Cc1c[nH]cc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 496722444 RVPUGIRQPFQGQD-JTQLQIEISA-N 297.355 0.939 0 50 CCAA CO[C@H]1CCCN(C(=O)NCCc2cnn(C)c2)C1 263980984 QDVFFIVCJUQCJP-LBPRGKRZSA-N 266.345 0.783 0 50 CCAA CC1(Cn2cc(Cn3ccccc3=O)nn2)COC1 905057904 ZWNCDKZRQZTGHE-UHFFFAOYSA-N 260.297 0.525 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 851040111 FRFOOUGQRQTCRP-MYJAWHEDSA-N 283.353 0.580 0 50 CCAA Cc1nc2ccccc2cc1C(=O)N1C[C@@H](N)[C@H](N)C1 1875270234 WTGRQZPWTFEBFC-CHWSQXEVSA-N 270.336 0.654 0 50 CCAA CC[C@H](C)C(=O)N[C@H]1CC(=O)N(c2cnn(C)c2)C1 1875286455 UEJXBGDQZRIYOU-UWVGGRQHSA-N 264.329 0.688 0 50 CCAA Cc1csc(S(=O)(=O)NCc2cc(C)[nH]n2)n1 1875257211 CTDHTAJVRHIKBI-UHFFFAOYSA-N 272.355 0.962 0 50 CCAA CC1(C)CN(c2ncnc3c2NC(=O)CO3)CCO1 1875294957 YZVYXQFACXUONR-UHFFFAOYSA-N 264.285 0.423 0 50 CCAA N[C@@H](Cc1cc[nH]n1)C(=O)Nc1cccc2c1NC(=O)C2 1875355886 DJSZRWPAMWHNGM-JTQLQIEISA-N 285.307 0.413 0 50 CCAA C[C@H]1CC(=O)N[C@@H]1C(=O)N1CCC[C@H]1c1cc[nH]n1 1875397107 LPBHICZYWGNLQV-PEXQALLHSA-N 262.313 0.598 0 50 CCAA O=C(O)c1cc(CNc2nccc3nc[nH]c23)[nH]n1 1875333389 RBMYGAGMCWOPQS-UHFFFAOYSA-N 258.241 0.991 0 50 CCAA CN(C(=O)Cc1nnc(O)c2ccccc12)C1CC(N)C1 1875319806 SVIYGKMIBJHRCD-UHFFFAOYSA-N 286.335 0.826 0 50 CCAA COc1cc2c(cn1)N(C(=O)c1cc(O)nn1C)CC2 1875312579 PNCQDBGXYVJVJK-UHFFFAOYSA-N 274.280 0.732 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCC=C[C@H]2COC)C1 1875387528 MANANDRKZRUTHJ-LBPRGKRZSA-N 264.325 0.434 0 50 CCAA Oc1n[nH]c(CCN=c2cc[nH]c(-c3nccs3)n2)n1 1875344127 FFQZYRBQORTEAU-UHFFFAOYSA-N 289.324 0.500 0 50 CCAA COC[C@H](CO)NC(=O)c1ccc(O)c(F)c1F 1875392453 CPDRXGLMZBPGKU-LURJTMIESA-N 261.224 0.408 0 50 CCAA C/C(=C\Cl)CS(=O)(=O)Cc1nnn(C)n1 899497095 PICYIDCLJNROCI-ZZXKWVIFSA-N 250.711 0.268 0 50 CCAA C[C@H](C(=O)N1CCc2ccnc(O)c2C1)S(C)(=O)=O 408369745 BCSPYPRDTXFYGO-MRVPVSSYSA-N 284.337 0.105 0 50 CCAA Cc1nn(C)c(C(=O)N[C@@H](CC(=O)O)C(=O)O)c1Cl 426495553 BMDVJDCSVZFOBJ-YFKPBYRVSA-N 289.675 0.040 0 50 CCAA NC(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1 619426 UCASKLWVMXHOOO-UHFFFAOYSA-N 276.321 0.597 0 50 CCAA CO[C@H](C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 112033769 LCMLWGPJACJMOE-RNFRBKRXSA-N 268.235 0.301 0 50 CCAA COC[C@@H]1CN(C(=O)C2(C)COC2)CC(C)(C)O1 343753180 TXASVYPIHKBVHF-JTQLQIEISA-N 257.330 0.675 0 50 CCAA Cn1ccc(CNC(=O)N2CCCC[C@H]2CCO)n1 343712665 BOPSOMPLSQZSRI-LBPRGKRZSA-N 266.345 0.867 0 50 CCAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)N1CCOCC1 115141276 WINUOQBDRDBNOX-KXUCPTDWSA-N 254.286 0.376 0 50 CCAA CCC[C@H](CC)S(=O)(=O)CC(=O)N1CCOCC1 359176390 WMMKFWVZUFFBGB-NSHDSACASA-N 277.386 0.839 0 50 CCAA C[C@H]1OCC[C@@]1(O)CNC(=O)Cc1ccsc1 228684922 ZFFGMTMMQLRLPE-BXKDBHETSA-N 255.339 0.947 0 50 CCAA CC(C)Oc1cc(N2CCCNC(=O)C2)nc(N)n1 65387044 GMNNOJIMSUEZOO-UHFFFAOYSA-N 265.317 0.172 0 50 CCAA CNS(=O)(=O)CCCN[C@@H]1CC(C)(C)OC1(C)C 119830507 UBXVDWPBCRPSNR-SNVBAGLBSA-N 278.418 0.861 0 50 CCAA Cc1nsc(N2CCCN(C(=O)c3cnn[nH]3)CC2)n1 329777323 OZWVCCNQDPSHGH-UHFFFAOYSA-N 293.356 0.317 0 50 CCAA CNC(=O)c1ccc(/C=C/C(=O)N2CCNC[C@@H]2C)cc1 126041180 ZLTCFXSNYLDAPA-ZCRIDZFUSA-N 287.363 0.880 0 50 CCAA COCc1ccc(C(=O)N2CCOC[C@@H]2C(=O)O)o1 262495992 MTXJOCTXAATGKY-SECBINFHSA-N 269.253 0.352 0 50 CCAA Cn1c(O)ncc(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)c1=O 333776867 SSFWDLZWWSTNEA-DCAQKATOSA-N 289.335 0.818 0 50 CCAA CN(C)c1ccc(CN2C[C@@H](N)C[C@H]2C(=O)O)cn1 77555428 DIAMLANLCZSKJH-QWRGUYRKSA-N 264.329 0.134 0 50 CCAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CN)C[C@@H](C)O1 237509583 TVYMJWJLOMJTJP-UTUOFQBUSA-N 255.362 0.045 0 50 CCAA Cc1csc(CNC(=O)N[C@@H]2COC[C@H]2O)c1 334092996 PDSQFPOJHICCBK-NXEZZACHSA-N 256.327 0.615 0 50 CCAA CCCN(CCO[C@@H]1CCCCO1)[C@H]1CC(=O)N(C)C1=O 338333667 WGGTTWAUASKWGR-GXTWGEPZSA-N 298.383 0.999 0 50 CCAA C[C@@H]1O[C@H](C)[C@H](C(=O)N2CC3CC2(C(N)=O)C3)[C@H]1C 529527593 VBSNATBEXJQBEH-BHZQNPLKSA-N 266.341 0.522 0 50 CCAA Cc1nnc(CC(=O)NCC2(N3CCOCC3)CC2)s1 614025785 AICFSEPNJYICLI-UHFFFAOYSA-N 296.396 0.370 0 50 CCAA Cc1ncc(CNC(=O)Cc2cscn2)c(=N)[nH]1 614739969 XDULIQDLWUAZHY-UHFFFAOYSA-N 263.326 0.513 0 50 CCAA COCc1noc(C[C@@H]2CN(c3ccncn3)CCO2)n1 91391058 KJAKDDCVHURQFS-SNVBAGLBSA-N 291.311 0.454 0 50 CCAA Cc1nnc(CN2CC[C@]3(CCCN(C)C3=O)C2)n1C 91452597 YRLFVRABGWYLFC-CQSZACIVSA-N 277.372 0.568 0 50 CCAA CC(C)Cn1cc(C(=O)N[C@H]2CCCNC2=O)cn1 295764447 KCJLCSFXRXLQAT-NSHDSACASA-N 264.329 0.548 0 50 CCAA CSCC(=O)N[C@@H](C1CCNCC1)[C@H]1C[C@@H](O)C1 244691674 JHBOJBPQYGYTEO-LOWVWBTDSA-N 272.414 0.605 0 50 CCAA CC[C@H](NC(=O)CCCn1cncn1)c1ncnn1C 244574930 CTUIMWFZEICLAU-JTQLQIEISA-N 277.332 0.454 0 50 CCAA Cc1nccn1CC(=O)N1CCN(Cc2ccccn2)CC1 297442092 UZGWBOSBIXPLDZ-UHFFFAOYSA-N 299.378 0.931 0 50 CCAA Cc1cc(C)nc(N[C@@H](Cc2c[nH]cn2)C(=O)O)n1 257666436 YXKJVNPEENVFGT-JTQLQIEISA-N 261.285 0.924 0 50 CCAA N[C@@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]2[C@H]3[C@@]1(Br)C41OCCO1 252427975 MNHATYKLHPXJQR-GJAWKPGMSA-N 270.126 0.326 0 50 CCAA COC(=O)c1ccc(C=c2sc3ncnn3c2=O)cc1 263629291 STACNHBMSMLHQT-UHFFFAOYSA-N 287.300 0.485 0 50 CCAA CCc1nccn1CCN1C[C@H](O)[C@@H](N2CCCCC2)C1 299769029 LGWAMKXNRRANBQ-GJZGRUSLSA-N 292.427 0.977 0 50 CCAA CCc1nc(CN(C)C(=O)c2ccc(CO)o2)no1 584896045 HHOSQGGFQUYOIF-UHFFFAOYSA-N 265.269 0.990 0 50 CCAA O=C(O)C[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1c1cnn[nH]1 1076022906 UZNFWGBNHAKBGV-APPZFPTMSA-N 292.274 0.429 0 50 CCAA CS(=O)(=O)CCN1CCC[C@@H](c2cc[nH]n2)C1 670452422 CJONGRLHDBGKFF-SNVBAGLBSA-N 257.359 0.634 0 50 CCAA CCCN1C[C@@H](NCc2ncnn2CC)CC1=O 952981420 SZSGPDRYGNEYFK-JTQLQIEISA-N 251.334 0.399 0 50 CCAA O=C(NCC1CCN(C[C@H](O)CO)CC1)c1ccco1 952984245 JFJAIIVNTSXLHE-LBPRGKRZSA-N 282.340 0.075 0 50 CCAA C[C@@H]1CN(C(=O)c2ncccc2O)CC[S@](=O)C1 408394473 KKLXGGMOVFYOPM-LZVRBXCZSA-N 268.338 0.628 0 50 CCAA Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)ccn1 408448488 VUMKKUQYGIBIGL-JTQLQIEISA-N 282.365 0.897 0 50 CCAA Cn1cncc1[C@@H]1CNC[C@H]1CNC(=O)C1(C)CC1 1772715736 FFRGPRJYPOZZPD-WDEREUQCSA-N 262.357 0.639 0 50 CCAA CC(C)Cn1ccnc1CN1C(=O)CN(C)C1=O 170592647 ZYGZZGNHHZFAJC-UHFFFAOYSA-N 250.302 0.933 0 50 CCAA Cc1nccnc1N1CCC[C@@](O)(CC(=O)N(C)C)C1 643718602 ALKSUQPXJBIYBU-CQSZACIVSA-N 278.356 0.595 0 50 CCAA O=C(c1cc(-c2ccco2)[nH]n1)N1CCO[C@@H]2CNC[C@@H]21 569474267 QUGDKGYEHKMDDA-WCQYABFASA-N 288.307 0.483 0 50 CCAA CN(C(=O)c1ccc(-c2nn[nH]n2)cn1)C1CCC1 736749651 PWBBFPIMYCWOQB-UHFFFAOYSA-N 258.285 0.886 0 50 CCAA CC[C@]12C[C@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1772815950 DZXWXPQYWOBFDB-IINYFYTJSA-N 277.324 0.516 0 50 CCAA CC(=O)NC1CN(c2nc(C(F)(F)F)ns2)C1 408109600 YRHYRPPKTAXOBV-UHFFFAOYSA-N 266.248 0.882 0 50 CCAA COC(=O)[C@@H](C[C@H]1CCNC1=O)NC(=O)OC(C)(C)C 142329662 HTQMBOWAEPNWLI-RKDXNWHRSA-N 286.328 0.579 0 50 CCAA CCOC(=O)[C@H](CCC(=O)O)NC(=O)C(F)(F)F 16125522 FDYYYAZAOZPMTO-YFKPBYRVSA-N 271.191 0.461 0 50 CCAA C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1 19421699 VVUCMCKOTBEULW-SECBINFHSA-N 258.318 0.758 0 50 CCAA COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2504640 PHMBNDDHIBIDRQ-JTQLQIEISA-N 281.264 0.929 0 50 CCAA in-vitro NCc1cc(C(=O)N[C@H]2CCCC[C@H]2CO)ccn1 231793516 GNSMQUYEAMHWGX-AAEUAGOBSA-N 263.341 0.821 0 50 CCAA CN1CCO[C@H](CN(Cc2cc[nH]n2)CC2CC2)C1 328653419 WVXSTOJRZBUQQE-AWEZNQCLSA-N 264.373 0.952 0 50 CCAA CC[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCO1 532072925 IBFKPKDGCVWAHS-SNVBAGLBSA-N 261.285 0.375 0 50 CCAA COCCN1CN(C(=O)NC[C@@H]2CC[C@@H](C)C2)CC1=O 252478075 ACDYXUWIKNGGPI-VXGBXAGGSA-N 283.372 0.880 0 50 CCAA COc1ccnc(C(=O)N[C@H](C)c2nnnn2C)c1 252479140 AZWUYAOSPJCWQV-SSDOTTSWSA-N 262.273 0.105 0 50 CCAA CN(C)C(=O)c1ccc(N2CC[C@@H](CCN)C2)nc1 125451570 RNJAUPKJLJRVSF-LLVKDONJSA-N 262.357 0.959 0 50 CCAA CN(C)c1cncc(N2C[C@H]3COC[C@@H](C2)CN3C)n1 1704326301 UDZHXKOXGOBJJK-NEPJUHHUSA-N 277.372 0.309 0 50 CCAA O=C1CC[C@H]2CN(C(=O)C3(n4cccn4)CC3)CC[C@@H]2N1 825191711 APDKNADBAVAMTL-RYUDHWBXSA-N 288.351 0.499 0 50 CCAA CNC(=O)NC(=O)CN1CC[C@@H](Cc2nccs2)C1 934338445 ZFRAVLPTRFGRMN-VIFPVBQESA-N 282.369 0.463 0 50 CCAA O=C(O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1875271212 CBWIQVNZKFJGJM-OPRDCNLKSA-N 292.339 0.669 0 50 CCAA O=C(Cc1ccccc1)N1CCC2(CC1)NCNC2=O 1875320851 MSPSEVVKRFCECZ-UHFFFAOYSA-N 273.336 0.267 0 50 CCAA CO[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1c1cn(C)nn1 886078244 RZRWWUFUBKJUCK-WCQYABFASA-N 290.323 0.592 0 50 CCAA CC[C@H](C(=O)O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 248949542 JVRCECLMTZFIBS-IJLUTSLNSA-N 256.346 0.502 0 50 CCAA C[C@H](NC(=O)N1CC(=O)N(CC2CC2)C1)c1ccn(C)n1 889230242 SSONRBLQCOTGJT-JTQLQIEISA-N 291.355 0.702 0 50 CCAA C[C@@H]1C[C@H](NC(=O)c2ccnc(CN)c2)CCN1C 130434963 BYHAEYKWLAHVLA-ZYHUDNBSSA-N 262.357 0.753 0 50 CCAA CN1C[C@@H](NC(=O)[C@@H](CN)c2ccccc2)CC1=O 261617801 UHDHNYVYMXCJOF-RYUDHWBXSA-N 261.325 0.076 0 50 CCAA CSC[C@H](C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 405270797 ONMRCCXDEKBZDL-GARJFASQSA-N 258.387 0.263 0 50 CCAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1ccc[nH]1 888097404 IGPHVTGHHSLYBQ-SNVBAGLBSA-N 266.297 0.872 0 50 CCAA O=C(NC1CC(CCO)C1)[C@]12CCC[C@H]1NCC2 1263247343 UHJKMWBVMZIIBH-YZVRNYIASA-N 252.358 0.796 0 50 CCAA COC(=O)[C@@]12CC[C@@H](CNC1)N2C(=O)OC(C)(C)C 203361993 AYCQTHMFGGLVNQ-TVQRCGJNSA-N 270.329 0.901 0 50 CCAA O=C(N[C@H]1C[C@H]2[C@H](O)[C@H](O)C[C@@H]12)c1nccc2cccnc12 2325786887 TYQDFJQQIGSDSX-OVKLUEDNSA-N 299.330 0.490 0 50 CCAA Cc1cc(C)n(CC(=O)NC[C@H](O)c2cccc(O)n2)n1 2356135404 CHUQEMOQPKAVJH-LBPRGKRZSA-N 290.323 0.450 0 50 CCAA COCCNC(=O)C(=O)Nc1ccc(OC)cc1OC 2982901 FUBPXJWDTVTLGD-UHFFFAOYSA-N 282.296 0.405 0 50 CCAA C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 115404044 QYZHCSDQTRLEDP-NWDGAFQWSA-N 290.367 0.828 0 50 CCAA O=P(O)(O)C(Cc1cccnc1)P(=O)(O)O 26735782 KZMOFWIRXNQJET-UHFFFAOYSA-N 267.114 0.306 0 50 CCAA in-vitro O=C1NCCN2CCN(C(=O)/C=C/c3ccccc3)C[C@@H]12 65468360 OKAJCKHWTXUEGG-UZYOAWRESA-N 285.347 0.342 0 50 CCAA CC(C)NC(=O)C(=O)NC[C@H]1COc2ccccc2O1 27240917 CIBVHXZQSUIJJX-JTQLQIEISA-N 278.308 0.467 0 50 CCAA CC(=O)N1CCC(n2cc(CN3CC[C@@H](O)C3)nn2)CC1 23399157 CYRJEMGADPZJOQ-CQSZACIVSA-N 293.371 0.028 0 50 CCAA C[C@H]1CN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 229567680 AGNYUHJILJVILM-OUAUKWLOSA-N 290.385 0.240 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1N 252516278 RFJHFISUQFAGCV-CDGCEXEKSA-N 279.384 0.441 0 50 CCAA C[C@H](C[S@@](C)=O)N(C)C(=O)NC[C@H]1CCCO1 253369897 JOOBMISYARYUPY-VHCOLVSPSA-N 262.375 0.574 0 50 CCAA C[C@@H]1C[C@@H]1c1cc(NC(=O)[C@@H]2CN(C)CCO2)[nH]n1 124861567 HIZBZHIUPQRQGR-YWVKMMECSA-N 264.329 0.802 0 50 CCAA COCC(=O)NCc1cn(-c2cccc(OC)c2)nn1 368860380 MTUDGCNRULDEFD-UHFFFAOYSA-N 276.296 0.539 0 50 CCAA Cc1nccnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 32578171 YZHGRKSMOMKMLV-ZDUSSCGKSA-N 290.367 0.860 0 50 CCAA O=C(CN1CCOC1=O)NCc1cnn2ccccc12 72172647 IMIMUPQTHBHEEE-UHFFFAOYSA-N 274.280 0.403 0 50 CCAA CCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 219736418 SAGPFRYBMFVIOS-CHWSQXEVSA-N 292.335 0.848 0 50 CCAA Cc1cc[nH]c1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 284598882 HPSFJUIJRCDUHL-RYUDHWBXSA-N 263.341 0.868 0 50 CCAA COCc1ccc(CN2C[C@@H](OC)C[C@H]2C(N)=O)cc1 284602828 QAYRSTDIBCEXGE-KBPBESRZSA-N 278.352 0.908 0 50 CCAA Nc1nc(C2CC(N)C2)cc(N2CCc3n[nH]cc3C2)n1 220593467 XCJPHYPQPLRXCN-UHFFFAOYSA-N 285.355 0.549 0 50 CCAA COC1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 223968904 FODSUUBLMVEZEF-UHFFFAOYSA-N 277.372 0.879 0 50 CCAA Cc1cccc2nc(C(=O)NCCn3ccnn3)c(F)n12 426584130 UIINBRUCWKESMV-UHFFFAOYSA-N 288.286 0.803 0 50 CCAA Cc1cc(CNC(=O)Nc2nc(C)n(C)n2)no1 48087856 OEAJLJRRRCEIRC-UHFFFAOYSA-N 250.262 0.742 0 50 CCAA CCCN(CCO)C(=O)c1c(C)[nH]c(C)cc1=O 426548789 NLDQVKHTCVHWHL-UHFFFAOYSA-N 252.314 0.836 0 50 CCAA COCCn1ccnc1[C@H]1CCCN(S(C)(=O)=O)C1 91846894 DOXOZHLYFLZEQI-NSHDSACASA-N 287.385 0.669 0 50 CCAA CC(C)c1noc(-c2cc(=O)n(C)c(=O)n2C)n1 95371629 GOYBJCNDUWTYGO-UHFFFAOYSA-N 250.258 0.257 0 50 CCAA CC(C)(C)c1nnc(NCCc2nc(N)n[nH]2)o1 95381384 JXQNFIBRFYWYJT-UHFFFAOYSA-N 251.294 0.722 0 50 CCAA C[C@@H](c1ccncn1)N(C)CC(=O)Nc1ccn(C)n1 244594050 DFOSMKRQAOUKOC-JTQLQIEISA-N 274.328 0.842 0 50 CCAA CC(C)COCCC(=O)N1CCO[C@H](C(=O)O)C1 299753788 ZIVMMXJJQBQAQI-JTQLQIEISA-N 259.302 0.361 0 50 CCAA Cc1cnc(CN2CCOC[C@H]2CO)c(C)c1O 253537402 VNUUWXMSERVIDA-LLVKDONJSA-N 252.314 0.597 0 50 CCAA Cn1cc(C(=O)NC[C@@H]2CCOC(C)(C)C2)nn1 622678719 BCRLANHQZHFKAX-SECBINFHSA-N 252.318 0.750 0 50 CCAA CC[C@@H](NC(=O)CN(C)C1CCNCC1)c1ccnn1C 534660503 HGOQSYHBZWWYMV-CYBMUJFWSA-N 293.415 0.671 0 50 CCAA CCCn1nccc1S(=O)(=O)NC[C@@H]1CCCNC1 534657443 FIPUYYVAVVXRIF-LLVKDONJSA-N 286.401 0.571 0 50 CCAA O=C(c1cc[n+]([O-])cc1)N1CC[C@@H]2NCCC[C@@H]2C1 299802028 ZXRVOYBGONUORY-OLZOCXBDSA-N 261.325 0.534 0 50 CCAA CN1C(=O)CCC12CCN(CCS(C)(=O)=O)CC2 828256289 OSHZVCRLPUSFIO-UHFFFAOYSA-N 274.386 0.118 0 50 CCAA CCCS(=O)(=O)NCc1cncn1CCOC 822993548 LGOLBHIDLSTSGE-UHFFFAOYSA-N 261.347 0.359 0 50 CCAA COC(C)(C)C(=O)NCCCN1CCCC[C@@H]1CO 828710765 CJUGQQIIRIGXOS-GFCCVEGCSA-N 272.389 0.765 0 50 CCAA COC(=O)NCCNC(=O)c1n[nH]cc1Br 952993068 AXVQOTJQPYMSJW-UHFFFAOYSA-N 291.105 0.258 0 50 CCAA CCOc1cc(NCC(=O)N=S(C)(C)=O)nc(C)n1 585134616 CECQREMRUJCTPU-UHFFFAOYSA-N 286.357 0.850 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)CCc1n[nH]c(C)c1C 584900084 VQTOHZCAOVTCRK-KBPBESRZSA-N 294.399 0.794 0 50 CCAA Cc1ocnc1C(=O)NC[C@H]1COCCN(C)C1 584904183 VPDFQZWYQXBELO-SNVBAGLBSA-N 253.302 0.291 0 50 CCAA CCn1cccc1C(=O)N1CCn2c(O)nnc2C1 1348232500 BYHQSZDPFHGJIU-UHFFFAOYSA-N 261.285 0.461 0 50 CCAA O=C(Cn1ncnn1)N1CC[C@H]1c1ccc(F)cc1 1352434008 SXHFHXWSVZWCEF-NSHDSACASA-N 261.260 0.786 0 50 CCAA CC(=O)N[C@H](C)CC(=O)N(CCO)Cc1cccs1 952980784 QJMYTZOXACUYDX-SNVBAGLBSA-N 284.381 0.984 0 50 CCAA CCC[C@]1(C)C(=O)NCCN1C[C@H](O)C(F)(F)F 187305623 JLOIRVFESMEYIC-WCBMZHEXSA-N 268.279 0.900 0 50 CCAA c1cnn(CCN2CCN(c3cncc4ncnn34)CC2)c1 276345925 HMIDBUOJCJTHTE-UHFFFAOYSA-N 298.354 0.143 0 50 CCAA CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 1599322134 IKGWUDZJCDUEOO-DBIOUOCHSA-N 291.369 0.536 0 50 CCAA Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)ncn1 301259539 OFMKEUKZPHAZGK-UHFFFAOYSA-N 289.383 0.529 0 50 CCAA CNC(=O)N[C@H]1CCN(CC[C@H]2CCCCO2)C1 408256500 LYYJDPDHPSOHSZ-NWDGAFQWSA-N 255.362 0.949 0 50 CCAA O[C@@H](CN1CCOCC1)Cn1ccnc1-c1cccnc1 305289464 FPLMWZLINCXHSJ-AWEZNQCLSA-N 288.351 0.638 0 50 CCAA Cc1ncsc1CCNC(=O)[C@H]1CNCCOC1 704021668 IJQNEIJCXWZINL-JTQLQIEISA-N 269.370 0.346 0 50 CCAA CC(C)N(C(=O)CN1CCCNC(=O)[C@H]1C)C(C)C 189300854 SFMIEZNJXBLNCL-GFCCVEGCSA-N 269.389 0.842 0 50 CCAA COCCO[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 189503063 GAFKHPQMZFWZNB-LBPRGKRZSA-N 267.329 0.227 0 50 CCAA COCCN1CCCN(C(=O)CCc2ncccn2)CC1 643215777 LZAYVFHBIURDHV-UHFFFAOYSA-N 292.383 0.590 0 50 CCAA Cc1ccnc(N2CC[C@@H](n3cc(C(N)=O)nn3)C2)c1 643758913 KYCMZXGNHZVDHD-SNVBAGLBSA-N 272.312 0.532 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cncc(OC)c1 643829799 MGORSKQXIQLZRA-HNNXBMFYSA-N 293.367 0.817 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1ccc(F)c(O)c1 219276948 KOVUYDUQXBETHY-VIFPVBQESA-N 283.255 0.847 0 50 CCAA N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 237911290 CUYZXPOHTQCGSC-QNWHQSFQSA-N 268.357 0.520 0 50 CCAA Cc1cccc(C(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)n1 1772704277 DOENQPBMCIDTON-PHIMTYICSA-N 262.309 0.063 0 50 CCAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCNC[C@H]2C)C1 163611128 FMGZGNDUDRZCCT-GRYCIOLGSA-N 275.418 0.503 0 50 CCAA COC[C@]1(C(=O)O)CCCN(C(=O)Cn2cc(C)cn2)C1 448992092 KIAOXMBPDJRLPY-AWEZNQCLSA-N 295.339 0.531 0 50 CCAA CC(=O)N(C)CC(=O)N1CC[C@@H](Oc2ccncc2)C1 346016163 RVQCAECZXOLENF-CYBMUJFWSA-N 277.324 0.540 0 50 CCAA O[C@@H](CN1CCC(c2cn[nH]c2)CC1)Cn1cccn1 377493098 ILGSUTNRBJAAEI-AWEZNQCLSA-N 275.356 0.847 0 50 CCAA COCC1(S(=O)(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 903550623 SNMXHQJOPDTUGF-CHWSQXEVSA-N 296.392 0.710 0 50 CCAA CN(C)CC(=O)N1CCOc2ccccc2[C@H]1C(=O)O 911061246 BPMMHAZVLKAUAT-ZDUSSCGKSA-N 278.308 0.595 0 50 CCAA C=CC(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 820437429 HKMPQQFKKUKLKA-UHFFFAOYSA-N 281.400 0.915 0 50 CCAA CCn1nc(C)c(CN2C[C@@H](N3CCOCC3)[C@H](C)C2)n1 823476669 AJMGHAZZHDHUJD-IUODEOHRSA-N 293.415 0.759 0 50 CCAA O=C(N=c1nc[nH]n1-c1ncccn1)C12CCCN1CCC2 1875302865 KOJDQBSXQVWMEA-UHFFFAOYSA-N 299.338 0.046 0 50 CCAA CCOc1cc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)[nH]n1 1775988237 ISOMLIKTCIEWCI-YUMQZZPRSA-N 287.341 0.114 0 50 CCAA Cn1c(O)nnc1C1CN(C(=O)OC(C)(C)C)C1 1775955560 FBNYLBBIDZOSRT-UHFFFAOYSA-N 254.290 0.855 0 50 CCAA CC(=O)NC[C@H]1CCCCN1C(=O)Cc1ccc(O)cn1 1776006629 SCUFOWRVCJQRNG-CYBMUJFWSA-N 291.351 0.847 0 50 CCAA COc1ccsc1C(=O)N1CCC(O)(C(=O)O)CC1 262533609 SZLBJIHHWAPMRQ-UHFFFAOYSA-N 285.321 0.808 0 50 CCAA O=C(O)C[C@@H]1COCCN1CCCn1cccn1 97514302 PSLJKXNXCDVWMF-LLVKDONJSA-N 253.302 0.449 0 50 CCAA CO[C@@H]1CCCN(c2ncnc3c2CCNCC3)C1 72426322 XDZXRPLNXUXKOU-LLVKDONJSA-N 262.357 0.780 0 50 CCAA Cc1nc(NCCn2cc(C(=O)O)nn2)ccc1C#N 312772637 LYONUOAIIPKIQW-UHFFFAOYSA-N 272.268 0.664 0 50 CCAA CC[C@H](C)N1CCN(c2nccc(CO)n2)CC1 450854675 DXNISCBDMPGLMK-NSHDSACASA-N 250.346 0.889 0 50 CCAA O=C(O)C1(C(=O)N2CC[C@@H](c3cc(O)n[nH]3)C2)CC=CC1 2325829294 FKXDIUAOBOBPOA-SECBINFHSA-N 291.307 0.852 0 50 CCAA O=c1[nH]c(=O)n(CCc2ccccc2)c2nc[nH]c12 491301 NWGXLQKHTDLHSS-UHFFFAOYSA-N 256.265 0.656 0 50 CCAA biogenic CN[C@H]1CCCN(C(=O)c2ccccc2S(C)(=O)=O)C1 133240827 SUWJEAMYVAMBGB-NSHDSACASA-N 296.392 0.914 0 50 CCAA O=C(c1cn[nH]c1)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356157285 IPFNTPFZAYDIME-ZFWWWQNUSA-N 287.319 0.504 0 50 CCAA Nc1nc(SCC(=O)c2ccc(O)cc2O)n[nH]1 6132438 IMUGRISBLCZHHC-UHFFFAOYSA-N 266.282 0.773 0 50 CCAA Cc1ccoc1C(=O)NCCn1nc(O)ccc1=O 67785539 XHWWAMOYJPEACW-UHFFFAOYSA-N 263.253 0.280 0 50 CCAA CC(C)CN(CC(=O)O)C(=O)[C@@H]1CCN(C)C(=O)C1 138145450 FVMFFQUODAKENM-SNVBAGLBSA-N 270.329 0.424 0 50 CCAA CCOC(=O)C1=C(CN2C[C@@H](C)OC[C@H]2C)NC(=O)NC1 252453061 ZBUXMWFSHDLJFY-NXEZZACHSA-N 297.355 0.226 0 50 CCAA CCCN1C[C@H](C(=O)NC[C@@H]2CCCO2)CC1=O 32497068 MEDDAYKEUQIIKL-MNOVXSKESA-N 254.330 0.540 0 50 CCAA O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@H]1C[C@H](O)CN1 151478795 NQMGKKADPNMCKE-TUAOUCFPSA-N 284.743 0.212 0 50 CCAA COC[C@@H]1[C@H](NC(=O)c2cc(C)no2)[C@H]2CCO[C@@H]12 1074570268 CDDIHVROHIQGRP-CNVPUSNMSA-N 266.297 0.763 0 50 CCAA Cc1cc(=O)n(CC(=O)N[C@@H](CC(=O)O)C(C)C)nc1C 219915647 CHPRSWFQKASUNK-NSHDSACASA-N 295.339 0.476 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)N1CC(=O)N(CC)C1 336117908 VAWNDGMKXCCHIB-GHMZBOCLSA-N 254.330 0.840 0 50 CCAA CCOC(=O)c1cnc2ncnn2c1/C=C/N(C)C 40385488 AEAWEOSYRDDRJW-AATRIKPKSA-N 261.285 0.833 0 50 CCAA Cc1csc(S(=O)(=O)N2CCCNC(=O)[C@@H]2C)c1 336261521 KVHDXNRNVFPCQN-VIFPVBQESA-N 288.394 0.956 0 50 CCAA O=C(O)C[C@H]1NC(=O)N(CCc2cccc(F)c2)C1=O 504815546 KHIZBLILGYLLOY-SNVBAGLBSA-N 280.255 0.763 0 50 CCAA CCCc1cc(C(=O)N2CC[C@H](NC(C)=O)C2)no1 85532665 BKAGRPPJNVUBJO-JTQLQIEISA-N 265.313 0.978 0 50 CCAA COc1ccc(C(=O)NC[C@H]2COCCO2)c(OC)c1 48808679 LVULSOQVIPHMEU-NSHDSACASA-N 281.308 0.849 0 50 CCAA CC(C)(C)N1C[C@@H](CNC(=O)c2cncc(=O)[nH]2)CC1=O 426489767 QXVINHNJBNQVOG-SECBINFHSA-N 292.339 0.147 0 50 CCAA CN1C[C@@H](NS(=O)(=O)CC2CCCC2)CC1=O 330079702 OMVRJVIKDLGBFU-JTQLQIEISA-N 260.359 0.327 0 50 CCAA CC(C)[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C(=O)O 91643355 DYHVLNLZDOGVMG-QWHCGFSZSA-N 298.383 0.524 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCC(N(C)C)CC2)cn1C 426615168 OVPLNVDNKBNVTB-UHFFFAOYSA-N 277.368 0.860 0 50 CCAA Cn1ccnc1[C@@H](NC(=O)Cn1ccnn1)C1CC1 426370345 IGQIGVCAOPNKQY-NSHDSACASA-N 260.301 0.279 0 50 CCAA CN(CCO)C[C@@H]1CN(C(=O)CC2CCC2)C[C@@H]1CO 91587016 ANYPTROFZVQALU-ZIAGYGMSSA-N 284.400 0.168 0 50 CCAA O=C(NCCN1CCCC1)c1ccnc(-n2cnnc2)c1 97637879 DGMQYRZOBZURDT-UHFFFAOYSA-N 286.339 0.488 0 50 CCAA CC(C)=CC(=O)N1CCN(c2nnc(C)s2)C[C@H](O)C1 97631891 YVYATNWAIMUYNZ-LLVKDONJSA-N 296.396 0.822 0 50 CCAA CC(C)n1cnnc1CN(C)CC(=O)Nc1ccn(C)n1 244712721 KVKUYUMLQUZLIO-UHFFFAOYSA-N 291.359 0.663 0 50 CCAA Cn1[nH]c(CN2CC(C)(C)CC[C@@H]2CO)nc1=O 621380616 ABXGPAHYKNREHM-SECBINFHSA-N 254.334 0.091 0 50 CCAA CC(=O)OC1(OC(C)=O)[C@H]2[C@@H]3[C@@H]4[C@H]5C[C@@H]3[C@@H]1[C@H]5C(=O)[C@H]42 254384020 ITQKYDIBXXYCQW-ZZNREVMMSA-N 276.288 0.766 0 50 CCAA CN1CC[C@@H](NC(=O)c2cnc(O)c3ccccc23)C1=O 527047475 OQLGLBIHUYDWCB-GFCCVEGCSA-N 285.303 0.901 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)CCCn2ccnc2)C1 299744654 TYZOSFWWFFAPEW-SNVBAGLBSA-N 251.286 0.596 0 50 CCAA O[C@H]1[C@H](O)CO[C@H](Nc2ccc(Cl)cc2)[C@@H]1O 257367479 GFNOCUJAOLWDMO-YTWAJWBKSA-N 259.689 0.191 0 50 CCAA CCCn1nccc1S(=O)(=O)N1C[C@@H]2CC[C@H]1CNC2 534629390 AAANUZMCJQUYNX-NEPJUHHUSA-N 298.412 0.666 0 50 CCAA Cc1nnc(N2C[C@@H](c3c[nH]nn3)[C@@H](CC(=O)O)C2)s1 299778369 QIPKBIAXFZUMKA-JGVFFNPUSA-N 294.340 0.659 0 50 CCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1ncon1)CC2 299784748 KQALXTUKNKJCET-JBLDHEPKSA-N 253.302 0.574 0 50 CCAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](O)C2 828635314 GNOJXKOSCHJYAF-VIFPVBQESA-N 281.381 0.459 0 50 CCAA CN1CC[C@](C)(C(=O)N2CCN(C(=O)C3CCC3)CC2)C1 584887525 QZMPPFQSLZZFLZ-INIZCTEOSA-N 293.411 0.799 0 50 CCAA Cc1cc(O)nc(CCNC(=O)[C@H]2CCOC2)n1 584900873 PKOCUBUOMXDHBW-VIFPVBQESA-N 251.286 0.186 0 50 CCAA CCc1noc([C@H](C)NS(=O)(=O)c2cn(C)c(C)n2)n1 670454437 AELZRTDDSVCDJS-ZETCQYMHSA-N 299.356 0.713 0 50 CCAA CCN(CC)S(=O)(=O)c1nnc(NC(C)=O)s1 36182715 JFLOTQQUIPBTEU-UHFFFAOYSA-N 278.359 0.527 0 50 CCAA CN1CCNC[C@H]1C(=O)Nc1c[nH]nc1-c1ccccc1 1548556425 BBUFWDGPOPISGW-ZDUSSCGKSA-N 285.351 0.919 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)COc1cccnc1 1565530527 UASIEMILUZNWAD-RYUDHWBXSA-N 266.297 0.381 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)c1ncccc1O 42425266 WIRCQBGFVSQTCQ-VIFPVBQESA-N 263.297 0.528 0 50 CCAA CN1C(=O)C[C@@H](Nc2ccc(C(F)(F)F)nn2)C1=O 167097877 ACFMNEKIXCPEPN-RXMQYKEDSA-N 274.202 0.665 0 50 CCAA Cn1cnnc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 631803725 HZFFHFKHYWJCHI-NSHDSACASA-N 299.400 0.064 0 50 CCAA COC[C@]1(C)CCN(C(=O)NCc2nc(N(C)C)n[nH]2)C1 637788958 IPVIDJZFIWZICW-CYBMUJFWSA-N 296.375 0.439 0 50 CCAA CC[C@]1(CO)CCCN1C(=O)CNC(=O)C(C)(C)C 189257507 HUYTYJCBGXRFNU-CQSZACIVSA-N 270.373 0.912 0 50 CCAA Cc1noc(CCNC(=O)[C@H]2CCCO[C@@H]2C)n1 190717628 XSTLBALMOBGDJF-SCZZXKLOSA-N 253.302 0.852 0 50 CCAA CN1CCC[C@H]1CN(C)[C@H]1CCCCN(CC(=O)O)C1=O 643875918 FDWBMWXFCVDLLA-STQMWFEESA-N 297.399 0.478 0 50 CCAA CCc1nncn1CCNC(=O)N[C@@H]1CC[C@H](C(=O)O)C1 646151495 VQLKDWSBNMSFCI-VHSXEESVSA-N 295.343 0.393 0 50 CCAA CN(CC(=O)Nc1ccnc(Cl)c1F)S(C)(=O)=O 585125597 YBOJCGHNFNZBAW-UHFFFAOYSA-N 295.723 0.704 0 50 CCAA Cn1ccc(C(=O)NCCCOc2ncccn2)n1 585127122 QMKFQAXDYYXEAB-UHFFFAOYSA-N 261.285 0.409 0 50 CCAA C[C@@H](CC(=O)N1CC(O)(C(N)=O)C1)Cc1cccc(F)c1 585128795 NRFJSCPXPHDNBD-SNVBAGLBSA-N 294.326 0.453 0 50 CCAA Cc1ncc(C(=O)N[C@@H]2COC3(CCNCC3)C2)cn1 1506408713 ZMZLCYYZGUOHOC-LBPRGKRZSA-N 276.340 0.426 0 50 CCAA CN1CCCN(CC(=O)Nc2cnn3c2NCCC3)CC1 1506406467 KYACWPUWGWRAFS-UHFFFAOYSA-N 292.387 0.275 0 50 CCAA CCn1cc(S(=O)(=O)N[C@H]2CC[C@H](N)C2)c(C)n1 216559849 KVCVVWSOBHLFHH-UWVGGRQHSA-N 272.374 0.370 0 50 CCAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cnc[nH]1 1704352209 RXWVVOODQGOHOT-YPMHNXCESA-N 272.308 0.792 0 50 CCAA N[C@@H]1CCC[C@H](C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)C1 237893426 SHTLJMBMVLNLMG-RFQIPJPRSA-N 282.384 0.910 0 50 CCAA C[C@H]1CN(S(=O)(=O)NC[C@H]2CCCO2)C[C@@H](C)O1 229719106 OFTYAZIEJZTKDK-OUAUKWLOSA-N 278.374 0.109 0 50 CCAA CN1CCN(C(=O)c2cnc(N)s2)CC12CCOCC2 1775983569 ZTYCGJHFJYKCLZ-UHFFFAOYSA-N 296.396 0.662 0 50 CCAA COCCN1CCC[C@@](O)(CNC2CCCC2)C1=O 12576483 MLICMYNMNVXODG-CQSZACIVSA-N 270.373 0.519 0 50 CCAA O=[S@](C[C@H](O)COCc1ccccc1)c1ncn[nH]1 16513281 WVHZLSMZVGECNH-WYRIXSBYSA-N 281.337 0.490 0 50 CCAA Cc1cc(C[C@@H](C)NC(=O)CN2CCOCC2)n[nH]1 155329852 DTWSFULRMGMVRU-SNVBAGLBSA-N 266.345 0.098 0 50 CCAA C[C@@H]1CN2C[C@@H](NC(=O)c3csc(=N)[nH]3)C[C@H]2CO1 1857720475 WECDEYFBFAFBMA-VGMNWLOBSA-N 282.369 0.147 0 50 CCAA O[C@H]1[C@H]2c3cc4c(cc3CN3CC[C@@H](C[C@H]1O)[C@@H]23)OCO4 4102378 VJILFEGOWCJNIK-VAIJKOLBSA-N 289.331 0.829 0 50 CCAA biogenic C=CC(=O)N1CCC(C(=O)N=c2cc(C)o[nH]2)CC1 328600568 YSBDFCUSYGMZJG-UHFFFAOYSA-N 263.297 0.768 0 50 CCAA COc1ccnc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)c1 264156458 ICSISLLEDVGSRL-GFCCVEGCSA-N 291.351 0.775 0 50 CCAA C[C@]1(C(=O)Nc2cccc3c2CNC3=O)CCNC(=O)C1 905566391 VAIHCMLQMYQEIC-HNNXBMFYSA-N 287.319 0.785 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)NCC1CCOCC1)C2 1239287429 AVQXMIDZSHEUFV-AAEUAGOBSA-N 253.346 0.546 0 50 CCAA C[C@H](OC(=O)C1(n2cnnn2)CCCCC1)C(=O)N(C)C 845304570 BJGQYVSSIIJMAD-JTQLQIEISA-N 295.343 0.352 0 50 CCAA C[C@]1(C(=O)NCCc2nc(O)n[nH]2)C[C@H]2CC[C@@H]1O2 1875293194 GJMKDZQWSYQVPK-LWINAJNOSA-N 266.301 0.127 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@H]1CCCn2nccc21 1875266366 NWNZBIGNGVUVQF-UWVGGRQHSA-N 251.286 0.597 0 50 CCAA O=C(O)CC[C@H](O)C(=O)N[C@@H](CCCO)c1ccccc1 1875330286 WFUSUMXGUWGKMA-STQMWFEESA-N 295.335 0.842 0 50 CCAA C[C@H]1[C@H](C)CCCN1C(=O)CN1CCNCC1=O 237497727 HRJYMBQPXOFRFN-MNOVXSKESA-N 253.346 0.065 0 50 CCAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cn2c(n1)CCC2 886995259 IKTGMXZCSSUQOA-VXGBXAGGSA-N 291.351 0.489 0 50 CCAA Cc1cnc(N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)nc1C 1775961878 GOKIMVBGQOCOSD-VXGBXAGGSA-N 272.356 0.758 0 50 CCAA Cc1cc(C(=O)N2CC[C@@](O)(CO)C2)ccc1F 313650517 ZEGQOVLLHBBNNR-ZDUSSCGKSA-N 253.273 0.703 0 50 CCAA Cc1nc([C@H](C)NCc2c(CO)cnc(C)c2O)n[nH]1 392334177 FVFZQVLNYSGDOM-QMMMGPOBSA-N 277.328 0.865 0 50 CCAA COC(=O)[C@H](CC(=O)O)NC(=O)c1cc(OC)cs1 831066987 MIVQGNICSHRNTO-ZETCQYMHSA-N 287.293 0.503 0 50 CCAA CCCOCCS(=O)(=O)N[C@@H](C)[C@@H]1COCCO1 2325803795 BMUUVPGLTQRKIF-QWRGUYRKSA-N 281.374 0.136 0 50 CCAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCOCC1 246257 XWGOGAHEPWTCCH-UHFFFAOYSA-N 285.321 0.714 0 50 CCAA COc1ccc(-c2nnc3nc(O)n(C)c(=O)c3n2)cc1 451038 IWFHUQMQPDIHEG-UHFFFAOYSA-N 285.263 0.500 0 50 CCAA biogenic CCCNC(=O)C(=O)NCc1ccc2c(c1)OCO2 2993545 ADUOVAUXSIWSAG-UHFFFAOYSA-N 264.281 0.558 0 50 CCAA Cc1cccc(NS(=O)(=O)c2cnc(O)[nH]c2=O)c1 4270298 VXEUAPQCSDQNGU-UHFFFAOYSA-N 281.293 0.585 0 50 CCAA Cc1ccc(CNC(=O)CSc2n[nH]c(N)n2)o1 20854670 HPVWMCQOJMHWKJ-UHFFFAOYSA-N 267.314 0.697 0 50 CCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CC1=CCCCC1 67676252 HAXJHHZOWTXDLJ-STQMWFEESA-N 279.384 0.941 0 50 CCAA CCNC(=O)NC(=O)Cn1cnc(-c2ccccc2)n1 117557854 XSTJWKLNVYLODV-UHFFFAOYSA-N 273.296 0.791 0 50 CCAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)CCN1CCCCO1 65426784 FWQJPRGUGHHVSV-NEPJUHHUSA-N 281.356 0.283 0 50 CCAA CCc1ncc2c(n1)CN(C(=O)C[C@H](C)NC(C)=O)C2 67606047 HXCYBAISRYCBTR-VIFPVBQESA-N 276.340 0.796 0 50 CCAA COc1nccnc1CN1CCC(N(C)CCCO)CC1 253425379 SXDYPDKZISKHFS-UHFFFAOYSA-N 294.399 0.764 0 50 CCAA Cc1nc(CN(C)S(=O)(=O)c2cncc(F)c2)no1 330779265 CHPOFCQSCPXFCZ-UHFFFAOYSA-N 286.288 0.733 0 50 CCAA N=c1nc(-n2cccn2)cc(N2CCCC[C@@H](CO)C2)[nH]1 362358481 FMRQJJDBOIKESB-LLVKDONJSA-N 288.355 0.674 0 50 CCAA COCc1nc(CNC(=O)c2ccc3c(c2)OCO3)no1 219071079 KOTWYRAYITZQEH-UHFFFAOYSA-N 291.263 0.875 0 50 CCAA C[C@H]1CN(C(=O)C2C[C@@H]3CCC[C@H](C2)C3N)C[C@H]1N 333500641 DHVZFINQINOGFZ-CHQMDOKHSA-N 265.401 0.946 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCC[C@H]1COC(=O)NC 490736225 VLWZOVMIWGUPAB-NSHDSACASA-N 297.355 0.416 0 50 CCAA Cc1ccc(N2CC[C@H](C(=O)NCCC(=O)O)C2=O)cc1 237784681 LBCNGVMHUWAFMP-GFCCVEGCSA-N 290.319 0.939 0 50 CCAA COc1cc2c(cc1CN1CC[C@H](CO)[C@@H](O)C1)OCO2 72154423 WUOHUJOFFVOFPI-PWSUYJOCSA-N 295.335 0.599 0 50 CCAA Cc1nonc1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 223719132 CTXDOGTUWJIHOI-XRNSZHNASA-N 291.311 0.354 0 50 CCAA Cc1cc(CC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)n[nH]1 288412275 TYOQXDUZECNPMD-GFCCVEGCSA-N 290.367 0.732 0 50 CCAA CN1CCO[C@@H](C(=O)N2CCC[C@@H]2c2ccc(O)nn2)C1 530074845 FCVUIXIDZSGPNY-VXGBXAGGSA-N 292.339 0.176 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cnc(OC)nc1 220716667 UFIADUQNRFZOPT-QCNOEVLYSA-N 293.323 0.265 0 50 CCAA CC(C)CN1CCO[C@H](CNCc2cncn2C)C1 236784297 IJLLITIZNOPYGL-CQSZACIVSA-N 266.389 0.867 0 50 CCAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 97301252 YPUNSGPHOWNNSR-JTQLQIEISA-N 279.344 0.525 0 50 CCAA Cc1cc(C)n2nc(Cc3nc([C@@H]4CCOC4)n[nH]3)nc2n1 97463581 ZSQNWINKZWLBQF-SNVBAGLBSA-N 299.338 0.954 0 50 CCAA CCCc1cncnc1N1CCC(N[C@@H](C)C(N)=O)CC1 95526610 PMTZSCRXQBPHAF-NSHDSACASA-N 291.399 0.861 0 50 CCAA Cc1cnc(CNC(=O)c2cn3cccnc3n2)cn1 97307768 CDQXVQAHEJMKQN-UHFFFAOYSA-N 268.280 0.758 0 50 CCAA CCn1cc(CCN2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)cn1 621316864 FDCGCYVNDIQYFM-GXTWGEPZSA-N 290.371 0.678 0 50 CCAA O[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC1CCOCC1 252508644 XQELWYLFLXAXQS-HZPDHXFCSA-N 291.395 0.785 0 50 CCAA CC[C@H](NC(=O)CCc1ccnn1C)c1ncnn1C 534590903 NCQVAJLBZWCMNQ-NSHDSACASA-N 276.344 0.749 0 50 CCAA Cc1cnn(CCNC(=O)[C@@H](C)N2CCCC2)c1 534578544 YPIRUXAGRXDCGW-GFCCVEGCSA-N 250.346 0.792 0 50 CCAA CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cnnn2)cc1 575443983 IFLCUHBIGBVHNC-MRVPVSSYSA-N 274.284 0.831 0 50 CCAA CN1CCC(CNC(=O)[C@]2(C)CCN(C)C2)CC1 823759311 BGTVSGQPXHSZNR-CQSZACIVSA-N 253.390 0.786 0 50 CCAA CN(CCCN1CCOCC1)C(=O)C[C@@H]1CCCOC1 584888125 NIRNYOMBRGMZJZ-AWEZNQCLSA-N 284.400 0.984 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCC[C@H](N(C)C)C2)cn1C 584898281 PNWMUECRIIYIGP-LBPRGKRZSA-N 277.368 0.860 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1OCC1CCC1)c1nc[nH]n1 1565528841 YFCIHRFVFDHDKW-QWRGUYRKSA-N 280.328 0.509 0 50 CCAA CN(CCN(C)C1CC1)C(=O)[C@H]1CC[C@H]1C(N)=O 408518002 RKADSLSAPPMMDQ-MNOVXSKESA-N 253.346 0.051 0 50 CCAA O=C(NC[C@H](O)c1ccccc1F)C1CCNCC1 269076436 CHOKYFNHADRBAE-ZDUSSCGKSA-N 266.316 0.975 0 50 CCAA Cc1ccccc1CNC(=O)CN1C[C@H](C)[C@@H](O)C1 221699986 GTPQTKSSRKKRNQ-JSGCOSHPSA-N 262.353 0.924 0 50 CCAA CC[C@H](O)CN1CCC(CNC(=O)c2ccnnc2)CC1 952965399 HAPPHTRZPLRYIE-AWEZNQCLSA-N 292.383 0.689 0 50 CCAA CN1CC[C@@H]2CCN(C(=O)NCCn3ccnc3)[C@@H]2C1 272157240 CZQBSMDTJPUOKK-CHWSQXEVSA-N 277.372 0.619 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C[C@H]1CO 275298452 MOTSNVHUMKSUBO-ZJUUUORDSA-N 299.348 0.664 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)NCCc1cnn(C)c1 276832662 HIMZODABRWKZPQ-PWSUYJOCSA-N 251.330 0.894 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)Nc1n[nH]c(OC)n1 277293750 JFLXHADRZQICEB-HTQZYQBOSA-N 254.290 0.957 0 50 CCAA CCc1nsc(NC[C@H]2CCCN2S(C)(=O)=O)n1 301769784 JWXCGAHPTORFCY-MRVPVSSYSA-N 290.414 0.936 0 50 CCAA CCCOCC(=O)N1CCNC(=O)[C@@H]1CC(C)C 189094449 CVACFZXKIPZOTF-NSHDSACASA-N 256.346 0.786 0 50 CCAA CO[C@@H]1CN(Cc2ccncc2F)C[C@H]1c1cnn[nH]1 643767233 PBPFDCGBOOOBFV-GXFFZTMASA-N 277.303 0.953 0 50 CCAA Cc1c(CNC(=O)c2ccc(C(=O)O)o2)cnn1C 191587888 VAXYCPWOQHCQOD-UHFFFAOYSA-N 263.253 0.950 0 50 CCAA CC(C)CN1C[C@@H](C(=O)N2CC(OC(F)F)C2)CC1=O 573310444 PEVLCHKZEQMJBZ-VIFPVBQESA-N 290.310 0.941 0 50 CCAA CN1CCN(c2cnc3ccccc3n2)C[C@@H]1CO 585134705 HCDRJMHGESTCAQ-LLVKDONJSA-N 258.325 0.743 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)N[C@H](C)C1 246665378 DUELELRPMFBHOT-CKYFFXLPSA-N 253.346 0.206 0 50 CCAA Cn1nncc1CNC(=O)C[C@H]1COc2ccccc2O1 1615552484 NWVHJANQNOLWSS-NSHDSACASA-N 288.307 0.661 0 50 CCAA COc1nccnc1N1CCC([C@@H](O)CO)CC1 1772805977 WKLQBPLXHZQIAR-JTQLQIEISA-N 253.302 0.055 0 50 CCAA O=S(=O)(NC[C@H]1CCCO1)c1ccc2c(c1)OCCO2 308590 VAIIMHTTXBBGHH-SNVBAGLBSA-N 299.348 0.915 0 50 CCAA CCc1[nH]nc2c1CN(c1nc(N)c3cnn(C)c3n1)CC2 1506417769 BOAQUGOZPKTUPV-UHFFFAOYSA-N 298.354 0.794 0 50 CCAA CN1C2(CCC2)COC[C@]1(CO)CNCC1(O)CCC1 629602465 FUXNYLJEZRWREK-CQSZACIVSA-N 284.400 0.107 0 50 CCAA O=C(CN1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1)NCC1CC1 247806458 ZNYVFGSXNQNIIN-QLFBSQMISA-N 277.412 0.929 0 50 CCAA CN1CCN(c2cncc(N)n2)CC12CCOCC2 1857695439 JTVSVTVLDNDOCS-UHFFFAOYSA-N 263.345 0.360 0 50 CCAA CN(CCO)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 5043049 MMFXZGDUIQNFHU-UHFFFAOYSA-N 293.728 0.651 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)C=C(C2CC2)C2CC2)C1 818464897 CBONOEXTENLBJP-MRXNPFEDSA-N 292.379 0.962 0 50 CCAA COc1cc(C(=O)NC[C@H]2CCCN2CCCO)ncn1 820989888 DAWZPHMKSGZRCN-LLVKDONJSA-N 294.355 0.062 0 50 CCAA CC1(C)[C@@H](N)C[C@@H]1NC(=O)c1ccccc1OCC(N)=O 864091902 ITNFNDCUCTWMPC-RYUDHWBXSA-N 291.351 0.406 0 50 CCAA N=c1nc(C2CN(C(=O)NCC(F)(F)F)C2)cc[nH]1 1875282419 CUIDYBKACFZJEN-UHFFFAOYSA-N 275.234 0.560 0 50 CCAA CCOc1cncc(=NS(=O)(=O)c2cnccc2C)[nH]1 1875280065 SCOSLDMPGWTXSQ-UHFFFAOYSA-N 294.336 0.801 0 50 CCAA O=C(NCC[C@H]1CCSC1)N1CCOCCN1 896077194 YECTYCXCJMRSDN-JTQLQIEISA-N 259.375 0.676 0 50 CCAA COc1nc(C)cc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)n1 896971389 QZMVWYKVLCWVRW-AEJSXWLSSA-N 253.302 0.480 0 50 CCAA CCNS(=O)(=O)c1ccc(NC(=O)C(=O)O)cc1 20199513 AYELSYDKPZXHHB-UHFFFAOYSA-N 272.282 0.008 0 50 CCAA O[C@H]1COCCN(CCOc2ccc(F)cc2)C1 77379024 DXLHEEIWDFBGRG-GFCCVEGCSA-N 255.289 0.898 0 50 CCAA O=C(Cn1ccnn1)N1CCC[C@@H](c2ncc[nH]2)C1 426443063 BWUOSHAYMNXVRM-SNVBAGLBSA-N 260.301 0.407 0 50 CCAA N=C(O)N1CC[C@@H](NC(=O)[C@@H](O)Cc2ccccc2)C1 331068005 QYCMDIOZWXDXMY-NEPJUHHUSA-N 277.324 0.273 0 50 CCAA CCn1ncnc1CN1CCC[C@@]1(COC)C(=O)O 643878611 ZUZIWILCMVCTOK-GFCCVEGCSA-N 268.317 0.364 0 50 CCAA Nn1cnn2c(SCC(=O)c3cccs3)nnc12 33281 VBHXLEVSDWWDPE-UHFFFAOYSA-N 280.338 0.676 0 50 CCAA CC(C)N(C)C(=O)[C@@H](C)N1CCS(=O)(=O)[C@@H](C)C1 245472654 PGAUFHSPTIGOQZ-WDEREUQCSA-N 276.402 0.361 0 50 CCAA COC(=O)c1cc(OC)c(OC)cc1NS(C)(=O)=O 143714 LSIQTXCPHWTCIP-UHFFFAOYSA-N 289.309 0.862 0 50 CCAA COC(=O)CNS(=O)(=O)c1ccc(OC)cc1 183370 GCWTVZKDBPLSKR-UHFFFAOYSA-N 259.283 0.147 0 50 CCAA Cn1nccc1CN1CCC[C@@]12CCCN(CCO)C2=O 2356165384 GCAXKIPWJDSUIP-OAHLLOKOSA-N 292.383 0.369 0 50 CCAA Nc1nc2c(s1)c(=O)[nH]c(=O)n2CCc1ccccc1 4843269 YBOCXMILQKELLL-UHFFFAOYSA-N 288.332 0.971 0 50 CCAA CC[C@H](C)[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O 100808913 YUUGKJGNJNCMLU-ZWKOPEQDSA-N 293.367 0.278 0 50 CCAA Cc1ccc([C@H](O)Cn2nnc(C(=O)O)c2CO)c(C)c1 409444173 OACKBDZVBYIFPY-GFCCVEGCSA-N 291.307 0.819 0 50 CCAA Cc1nn(C)c(N)c1[C@]1(O)C(=O)Nc2ccccc21 170625876 PZKVSZXPUFVKKG-ZDUSSCGKSA-N 258.281 0.499 0 50 CCAA CSCC[C@H](NC(=O)C1CCOCC1)C(=O)O 20249645 CEJHNCJVJMXCQQ-VIFPVBQESA-N 261.343 0.736 0 50 CCAA CNC(=O)[C@@H]1CCCN(C(=O)c2cccc(C(=O)O)c2)C1 230348788 WAWGFVZQQWFULA-GFCCVEGCSA-N 290.319 0.983 0 50 CCAA Cc1nonc1OCCN[C@@H](C)C(=O)Nc1nccs1 65468611 MQJXAMIGVLGKKC-ZETCQYMHSA-N 297.340 0.830 0 50 CCAA Cc1cnccc1NC(=O)NCCN1CCOCC1 121479981 NYKAXKOROGCQMQ-UHFFFAOYSA-N 264.329 0.844 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)C(=O)c1ccco1 67885634 KKUAYEIVMGYKMW-WPRPVWTQSA-N 253.254 0.382 0 50 CCAA Nc1ncnc2c1ncn2Cc1cc(=O)c(O)co1 328598375 MAVSICZLDZAWKZ-UHFFFAOYSA-N 259.225 0.116 0 50 CCAA CN(CC1CC1)C[C@@H]1CN(C(=O)c2ccon2)CCO1 328656364 ZGKDWAVTTXXKAU-GFCCVEGCSA-N 279.340 0.857 0 50 CCAA O=C(C[C@H]1CNCCO1)N(C[C@H]1CCCN1)C1CC1 328642937 RFHLHXDOQOHCFQ-YPMHNXCESA-N 267.373 0.108 0 50 CCAA CC1=NO[C@H](C(=O)NCCSc2nc(C)n[nH]2)C1 71745445 NXVSEGDEKJGWHQ-QMMMGPOBSA-N 269.330 0.486 0 50 CCAA CC[C@H](Cn1cncn1)N[C@H]1CCO[C@]2(CCOC2)C1 329511043 KITSSPPORRRXEF-HZSPNIEDSA-N 280.372 0.984 0 50 CCAA C[C@H](NS(=O)(=O)C1COC1)[C@@H](O)Cc1ccccc1 330205526 DNLHGGPPRIFSCN-GWCFXTLKSA-N 285.365 0.297 0 50 CCAA O=C([C@@H]1C[C@H](O)CN1)N1CC[C@@H](Cc2ccccc2)C1 151707003 HXIZJPPQYKAPBM-KKUMJFAQSA-N 274.364 0.800 0 50 CCAA CCCS(=O)(=O)CC(=O)N1CCC[C@@H](C)[C@H]1CN 236782571 HACYJDGDTLOBET-GHMZBOCLSA-N 276.402 0.397 0 50 CCAA CCOc1cccc(S(=O)(=O)N2CC(C(=O)O)C2)c1 282775009 IASHCCKIPPVMNN-UHFFFAOYSA-N 285.321 0.790 0 50 CCAA CN1C[C@@H]2CC[C@H](C1)N(Cc1cc3n(n1)CCNC3)C2 215564980 OCPZVHFMVZSIBP-GXTWGEPZSA-N 275.400 0.512 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)N1CCOCC(F)(F)C1 335325862 CTUHYBLUXZLZDO-VIFPVBQESA-N 294.323 0.402 0 50 CCAA O=C1NC(=O)N2CCN(C(=O)c3cc(F)ccc3F)C[C@H]12 335831292 NSLYGIJEJLEPBU-SNVBAGLBSA-N 295.245 0.341 0 50 CCAA O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1cnc2n1CCC2 262352477 BJUGWYYOCZBLLS-VIFPVBQESA-N 299.352 0.457 0 50 CCAA CC(C)N1CCN(c2nccc3c(O)ncnc23)CC1=O 521462904 QESOAMLCJDYVSG-UHFFFAOYSA-N 287.323 0.787 0 50 CCAA COc1ccc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1F 285644697 UFPNYHCNLLYZLI-AWEZNQCLSA-N 296.298 0.287 0 50 CCAA O=C(O)C[C@@H]1CC[C@H](NC(=O)Cc2cccs2)B(O)O1 199517773 IOOWNWLVCOUUEX-WPRPVWTQSA-N 297.141 0.449 0 50 CCAA fda Nc1nc(=NCc2ccccn2)cc([C@@H]2CCOC2)[nH]1 426477161 FSCGINYIVSKTOV-SNVBAGLBSA-N 271.324 0.992 0 50 CCAA CSCCC(=O)N1CCC2(CC1)CN[C@@H](C(=O)O)C2 91391402 TUPUEXDTVNRBKT-SNVBAGLBSA-N 286.397 0.795 0 50 CCAA COc1cccc(-c2cc(C(=O)N[C@@H](C)C(N)=O)[nH]n2)c1 91829469 QFJPOLODCKQKNJ-QMMMGPOBSA-N 288.307 0.689 0 50 CCAA Nc1nnc(CCn2cc([C@@H]3CCOC3)nn2)s1 92028287 SXLQFMVEADYGGP-SSDOTTSWSA-N 266.330 0.458 0 50 CCAA CCOC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 97759049 DZKBYAYNLABWHO-UHFFFAOYSA-N 259.302 0.921 0 50 CCAA CC(C)N1CCC[C@H](C(=O)NCCCn2ccnn2)C1 95365389 ORJVMCURCLCQGJ-ZDUSSCGKSA-N 279.388 0.905 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CCNC[C@H]1C 534659094 HRLUTMXDYNBJKX-SNVBAGLBSA-N 272.374 0.194 0 50 CCAA CSc1nc(C(=O)N[C@H]2CNCC[C@H]2O)cs1 534650508 POAGHVFXIPEIHM-POYBYMJQSA-N 273.383 0.318 0 50 CCAA O=C1C[C@@H](C(=O)N2CCCNCC2)C2(CCCC2)O1 534666138 RTIHLUSEECRPAX-NSHDSACASA-N 266.341 0.684 0 50 CCAA Cc1nccn1CC(=O)N1CCN(CC(F)(F)F)CC1 297464796 XXIRNQBAULMWIG-UHFFFAOYSA-N 290.289 0.898 0 50 CCAA Cc1nnc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)s1 299797153 MPDODSXKEBPUAM-RYUDHWBXSA-N 282.413 0.878 0 50 CCAA CCn1cnnc1CN1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857734755 QAGHUXBNAHPSEI-GRYCIOLGSA-N 266.345 0.270 0 50 CCAA CS(=O)(=O)c1nccn1-c1cccc(C(=O)O)c1 725236980 HAFSMOSKHUYZJA-UHFFFAOYSA-N 266.278 0.974 0 50 CCAA CO[C@H]1CN(S(=O)(=O)c2ccc(C)cc2F)C[C@@H]1O 824504885 SNVVXUAYUGMKEW-QWRGUYRKSA-N 289.328 0.514 0 50 CCAA O=C1NC2(CCOCC2)C(=O)N[C@H]1c1ccccc1 828301496 JUHWPWBHUUBWPI-NSHDSACASA-N 260.293 0.523 0 50 CCAA COc1ccccc1[C@@H]1CC(=O)Nc2nc(=N)[nH]c(N)c21 585655817 VBTLURXOCSKHEG-QMMMGPOBSA-N 285.307 0.954 0 50 CCAA C[C@@H](c1ccccn1)N(C)C(=O)N1CCS(=O)(=O)CC1 408398810 YAAQDTOPIPJPAM-NSHDSACASA-N 297.380 0.925 0 50 CCAA CN(C[C@@H]1CCCC[C@@H]1O)C(=O)N[C@@H]1CCOC1 195555414 FSYIJGMPCYWSBF-TUAOUCFPSA-N 256.346 0.968 0 50 CCAA Cc1cc(C)nc(N2CCC[C@@](O)(Cn3ccnn3)C2)n1 570949837 UYLTWRCDVSKUHJ-AWEZNQCLSA-N 288.355 0.716 0 50 CCAA O=C(O)[C@H](O)CNS(=O)(=O)c1ccc(C2CC2)cc1 577887332 OCZCLRWSXNNPEW-LLVKDONJSA-N 285.321 0.288 0 50 CCAA CN(CCN1CCCCC1)c1nc(O)c2cnn(C)c2n1 585090379 HMGXRARUTKHBAH-UHFFFAOYSA-N 290.371 0.991 0 50 CCAA CC(C)=CCN1CC[C@H](N2CCN(C)CC2)[C@@H](O)C1 1614363236 SUEXTTGYLCKSHH-GJZGRUSLSA-N 267.417 0.635 0 50 CCAA Cc1csc(CNS(=O)(=O)N2CCCC2)n1 408082069 OWSFIVIALBSDCJ-UHFFFAOYSA-N 261.372 0.882 0 50 CCAA COCC(=O)N1CCN(c2ccc(OC)cn2)CC1 330758971 FSSKUUDBCGSONA-UHFFFAOYSA-N 265.313 0.385 0 50 CCAA C[C@@H]1OCCN(S(=O)(=O)C[C@H]2CCCCO2)[C@H]1C 247150802 SXPXFIRYOAOOSG-SDDRHHMPSA-N 277.386 0.995 0 50 CCAA C[C@H]1SCCn2c(CN(C)S(C)(=O)=O)nnc21 1775983165 IGISFNWMHIUNQI-SSDOTTSWSA-N 276.387 0.477 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1cnn2ccccc12 224778909 UXDWLJCULCWHML-NSHDSACASA-N 275.264 0.260 0 50 CCAA C[C@H]1CN(C(=O)CN2CCNC(=O)C2)[C@@H]1c1ccccc1 900880899 FWMIKYMSQRVZNI-LRDDRELGSA-N 287.363 0.638 0 50 CCAA CCc1nn(C)cc1S(=O)(=O)N[C@]12CCC[C@H]1CNC2 903609833 QYGWAHUAHOBGGK-GWCFXTLKSA-N 298.412 0.403 0 50 CCAA O=C1CC(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)=NN1 1875258584 YURFHMRGBSWPIS-LLVKDONJSA-N 297.318 0.686 0 50 CCAA CN(CC(=O)O)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)CC1 1875266793 XBZABFKZRMHOLO-STQMWFEESA-N 297.399 0.526 0 50 CCAA COC(=O)/C=C/C(=O)N1CCC[C@H](n2ccnn2)CC1 1875389259 IARONZXAFDBPPV-ZWNMCFTASA-N 278.312 0.561 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N(C)Cc2ncc[nH]2)C1=O 886075540 NREDCGJPWYZRGO-NSHDSACASA-N 294.355 0.396 0 50 CCAA O=C(O)[C@H](Cc1ccccc1O)NC(=O)[C@@H]1CCOC1 1775991895 OCOWAYFLDVTCNX-MNOVXSKESA-N 279.292 0.541 0 50 CCAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCc3ccccc3CC2)N1 1775960201 YDOATDRCALYGIV-KGLIPLIRSA-N 288.347 0.819 0 50 CCAA O=C(O)CN1CCC(NC(=O)c2cncc(F)c2)CC1 426739106 UWNUCOMPIDZQET-UHFFFAOYSA-N 281.287 0.500 0 50 CCAA CCc1nc(CN2CCCN([C@H](C)CO)CC2)no1 364894135 JMBPDXPGPIYTLO-LLVKDONJSA-N 268.361 0.521 0 50 CCAA CNS(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 368506081 AAYQLNJLJCDYEY-UONOGXRCSA-N 295.408 0.657 0 50 CCAA CS(=O)(=O)NCCN1C[C@@H](CN)[C@H](c2ccccc2)C1 261866757 WXBGGCPJHGNNRC-KGLIPLIRSA-N 297.424 0.210 0 50 CCAA CC1(C)CC(=O)O[C@H]1CNC(=O)N[C@@H]1Cc2nccn2C1 2325799565 IDIJKSNVSWMYEI-ZJUUUORDSA-N 292.339 0.449 0 50 CCAA Cc1cc(S(=O)(=O)N2CC[C@H](N)C2)c(F)cc1F 123583408 ZLBFDXOUGTXDBH-QMMMGPOBSA-N 276.308 0.995 0 50 CCAA Cc1cccn2c(=O)c(C=O)c(N3CCN(C)CC3)nc12 465647 ZTJAYTWWHYUFJW-UHFFFAOYSA-N 286.335 0.567 0 50 CCAA CN(C)c1ccnc(NC(=O)NCCCc2nc[nH]n2)n1 225478236 XCTKFOALLKKAOY-UHFFFAOYSA-N 290.331 0.415 0 50 CCAA CC(C)N(Cc1cnn(C)c1)C[C@@H]1CN(C)CC[C@H]1O 20203766 BFWAEQRHGISHFW-LSDHHAIUSA-N 280.416 0.943 0 50 CCAA CC(C)[C@@H](C)NC(=O)CN1CCOC[C@]12CCOC2 249443812 FQMIPDDJBPZVJZ-TZMCWYRMSA-N 270.373 0.638 0 50 CCAA CCOCCCNC(=O)c1ccc(-n2cnnn2)cc1 20427663 ABNKXLIPVCUOCX-UHFFFAOYSA-N 275.312 0.819 0 50 CCAA Cc1nn(Cc2n[nH]c(=O)n2[C@H](C)C(=O)O)c(C)c1C 65490122 KZJCMDOQGDAFLZ-SECBINFHSA-N 279.300 0.387 0 50 CCAA O=C(NCCN1CCCc2ccccc21)[C@H]1C[C@@H](O)CN1 216318625 ZDUVGNDVSOYARQ-ZIAGYGMSSA-N 289.379 0.278 0 50 CCAA CC(C)C[C@H]1C(O)=NCCCN1Cc1nnn(C)n1 328792444 RJBXEIDKMCNIAX-JTQLQIEISA-N 266.349 0.787 0 50 CCAA O=C(CCn1cccn1)N1CCN[C@H](c2cccnc2)C1 368528033 NJFHWCQMUZJDNF-AWEZNQCLSA-N 285.351 0.841 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C(F)(F)F 521920429 OUJBPOPIJSHNMS-PHDIDXHHSA-N 277.202 0.745 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)CC[C@H]1NC(=O)NC1=O 47644384 AOLZYQPHJOUNEX-SNVBAGLBSA-N 294.311 0.238 0 50 CCAA Cn1nc(-c2ccccc2CO)nc1N1CCOCC1 426434490 PYHCRATZIDOMFL-UHFFFAOYSA-N 274.324 0.811 0 50 CCAA O=C(Cn1ccc([C@H]2CCCNC2)n1)NC1CCOCC1 426535189 PDZREYXUQOZNAC-LBPRGKRZSA-N 292.383 0.645 0 50 CCAA CCn1nc(C(C)C)cc1C(=O)N[C@@]1(C(=O)O)CCNC1 95511436 FXEZFIINPOKHPU-AWEZNQCLSA-N 294.355 0.573 0 50 CCAA CN(Cc1ccoc1)C(=O)CN1CC[C@@H](N(C)C)C1 244719219 LYVMCLZCFJCUMN-CYBMUJFWSA-N 265.357 0.874 0 50 CCAA CN(C)C[C@@H](O)CNc1ncc(F)c(N(C)C)n1 534640181 WGEVCGMGEYEPCK-QMMMGPOBSA-N 257.313 0.016 0 50 CCAA COCCOCC(=O)NC[C@H](C)n1cc(C)cn1 534655955 IWIQOBYOLGHFJJ-NSHDSACASA-N 255.318 0.532 0 50 CCAA O=C(CCc1ccncc1)N1C[C@@H]2NCCO[C@H]2C1 534592629 LEVOPGJXHCSAHD-STQMWFEESA-N 261.325 0.213 0 50 CCAA CC(C)N1CC[C@@H](CNC(=O)CCS(C)(=O)=O)C1 623485644 QWXJBVJVGZWAOH-NSHDSACASA-N 276.402 0.268 0 50 CCAA CN1CC(=O)N(CC(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)C1=O 296989950 RROPUUIKXYWZAD-GRYCIOLGSA-N 291.351 0.599 0 50 CCAA CC[C@H](C)C(=O)NCc1nnc2n1CCNCC2 299784342 OXFGPACRUPORJN-VIFPVBQESA-N 251.334 0.086 0 50 CCAA CC[C@H](NC(=O)CCn1cnnn1)c1ncc(C)[nH]1 670461319 QEFWPOCGCSEQJR-VIFPVBQESA-N 263.305 0.362 0 50 CCAA NC(=O)C1(NC(=O)Cn2ccc(=O)cc2)CCCCC1 584902889 JTUKGLGPFWPUMY-UHFFFAOYSA-N 277.324 0.153 0 50 CCAA O=C(NCc1nc(CO)n[nH]1)[C@H](O)c1ccc(Cl)cc1 1363285324 FHRYXBLFXUMGRS-LLVKDONJSA-N 296.714 0.300 0 50 CCAA C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@]1(O)C1CCC1 1565509924 MOEHFENBAUXFKS-ZUZCIYMTSA-N 280.368 0.652 0 50 CCAA C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@]1(O)C1CCC1 1565509160 FCGIJMVMOGPTFK-LKFCYVNXSA-N 266.341 0.261 0 50 CCAA CC[C@H]1CN2CCCC[C@H]2CN1C(=O)CCc1nn[nH]n1 631674387 IYXORVBJQQBFOZ-RYUDHWBXSA-N 292.387 0.608 0 50 CCAA Cc1cc(O)c(COC(=O)CCN2CCCC2=O)nn1 788044987 VGTWSOXRHRECFO-UHFFFAOYSA-N 279.296 0.546 0 50 CCAA Cn1cc(CC(=O)N2CCCO[C@@H](CF)C2)cn1 1614648256 HLZXRKPDPYXYHM-NSHDSACASA-N 255.293 0.550 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)N1CCC(O)CC1 1615551114 ALWNBOHLMHRIIL-INIZCTEOSA-N 290.363 0.779 0 50 CCAA COC(=O)C[C@H](C)CC(=O)Nc1cnc(C(=O)OC)cn1 1615587683 IPLYEZOBXVEJCD-MRVPVSSYSA-N 295.295 0.791 0 50 CCAA C=CC(=O)NCCC(=O)NC1(C(F)(F)F)CC1 1636896278 YBJYYGPXUSOZEC-UHFFFAOYSA-N 250.220 0.890 0 50 CCAA CC(=O)Nc1nonc1NC(=O)Cn1nc(C)cc1C 1529195939 RTVURPOPWTYCGC-UHFFFAOYSA-N 278.272 0.480 0 50 CCAA CC[C@@H](C(=O)N1CCC(CNC)CC1)N1CCCC1=O 152249388 WACUQEKPHKSEOL-ZDUSSCGKSA-N 281.400 0.845 0 50 CCAA COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 34547457 NJRYBJQLRONERE-VIFPVBQESA-N 261.318 0.977 0 50 CCAA in-vitro Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(N)=O 16649337 XASGGAZEVLUKCR-UHFFFAOYSA-N 272.326 0.109 0 50 CCAA CN(C)c1ncccc1CNC(=O)c1cnccn1 19148263 ZYJXMFTYGPHCIS-UHFFFAOYSA-N 257.297 0.868 0 50 CCAA O=C(O)c1cccc(CN2C[C@H]3[C@@H](C2)C3(CO)CO)c1 1857703408 LGAXETMTQDOIKR-BETUJISGSA-N 277.320 0.417 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccc[nH]1 644228041 XUMSLVZGCRNARS-LOWVWBTDSA-N 263.341 0.732 0 50 CCAA Cc1c[nH]cc(C(=O)N[C@@H]2CCC(=O)NC23CCC3)c1=O 332705053 AETLOXIAMZPHCW-LLVKDONJSA-N 289.335 0.614 0 50 CCAA Cc1cnc(N2CC[C@](O)(Cn3ccnn3)C2)nc1C 671466126 BPQNOASBTRRQGK-CYBMUJFWSA-N 274.328 0.326 0 50 CCAA C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN2CCC1CC2 252487951 IFPBZGZDMNUUMD-LLVKDONJSA-N 291.351 0.705 0 50 CCAA Cc1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 19849729 BEANEFWHCPUPDV-UHFFFAOYSA-N 291.351 0.382 0 50 CCAA CCCCNC(=O)[C@H](C)N1CC[C@@H](n2ccnn2)C1 585116357 RWESBVIDVDTFGZ-NWDGAFQWSA-N 265.361 0.830 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)COc1cccnc1 263941245 HLUCPRWJBGOLQR-LBPRGKRZSA-N 277.324 0.588 0 50 CCAA O=C([C@H](O)c1cnc[nH]1)N1CCC[C@@H]1CN1CCCCC1 865141856 XIJHQOHNFDSJBE-TZMCWYRMSA-N 292.383 0.920 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@@H]1CCCc2c[nH]nc21 1875259428 NWFSMTMPIGCJGX-NXEZZACHSA-N 251.286 0.666 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cnc(N(C)C)cn1 1875273186 DWZVHHCCWYYJRR-SNAWJCMRSA-N 264.285 0.002 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCc2cccc3c2CCNC3)[C@H]2C[C@H]21 1772258234 VRPBQRPJOYGBJV-XUWVNRHRSA-N 285.391 0.932 0 50 CCAA Cc1ncnc(N(C)CC(=O)N2CCN(C)CC2)c1C 894957824 KCCGTQKIBWCLIE-UHFFFAOYSA-N 277.372 0.304 0 50 CCAA C[C@@H](NCc1nnn(C)n1)C1CN(C(=O)OC(C)(C)C)C1 252507973 WZAUJPGIUUVKFK-SECBINFHSA-N 296.375 0.555 0 50 CCAA Cc1nc(=NCC(C)(C)N2CCOCC2)s[nH]1 408236207 NWCIPTVWYVWWDE-UHFFFAOYSA-N 256.375 0.791 0 50 CCAA OC[C@@H]1COCCN(c2nnnn2-c2ccccc2)C1 77504632 YRZVYHDZBFHXOU-LLVKDONJSA-N 275.312 0.107 0 50 CCAA Cc1nn(C)cc1C(=O)NCc1csc(N)n1 584899523 AJLLOPQFZMUWQO-UHFFFAOYSA-N 251.315 0.697 0 50 CCAA O=C(O)CSCCOCCSCC(=O)O 1690032 FOAZYQMVLNFBKU-UHFFFAOYSA-N 254.329 0.639 0 50 CCAA CCN1CCn2c(nnc2[C@@H](C)n2ccnc2)C1=O 2356152584 QEUUQKKCWPKPRM-SECBINFHSA-N 260.301 0.560 0 50 CCAA O=C1NC[C@H]2CN(C(=O)c3ccc4c(c3)CCCO4)C[C@@H]12 2356164544 XFPUHXPZPMJRPM-QWHCGFSZSA-N 286.331 0.830 0 50 CCAA CC[C@H](C)[C@@H](O)C(=O)N[C@@H](C)C(=O)N1CCCC1 343778297 XVKQGWQPZSVVSM-GARJFASQSA-N 256.346 0.521 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cc2ccccc2n1C 67649454 GVPWCCDMRJSUDE-DOMZBBRYSA-N 286.379 0.826 0 50 CCAA CNC(=O)[C@@H](C)CN(C)c1ncnc(Cl)c1NC 136055888 MNMJZKPCFRNRLU-ZETCQYMHSA-N 271.752 0.990 0 50 CCAA Cc1csc(CN(C)S(=O)(=O)N2CCOCC2)n1 118436183 ZRWLCLPGLHFNDB-UHFFFAOYSA-N 291.398 0.460 0 50 CCAA CN1CC[C@@H](C(=O)N[C@H](C(=O)O)c2ccccc2)CC1=O 138454921 NKUGCQPXGCQJJB-YPMHNXCESA-N 290.319 0.797 0 50 CCAA CN1CCc2ccc(NC(=O)[C@H]3CCC(=O)N3)cc2C1=O 123714214 ZRWXWHCYKSLKTH-GFCCVEGCSA-N 287.319 0.532 0 50 CCAA Cc1nonc1C(=O)N(C)CCCc1cnn(C)c1 67695285 PKLDLPVNUQMHCU-UHFFFAOYSA-N 263.301 0.816 0 50 CCAA COC[C@H](O)CN[C@@]1(CO)CCCc2ccccc21 252490632 KYCZMPHCTYIOIO-UKRRQHHQSA-N 265.353 0.807 0 50 CCAA O=C(O)CSCC(=O)Nc1ccc2c(c1)C(=O)NCC2 601988178 ZFAMASUUHIGVNW-UHFFFAOYSA-N 294.332 0.729 0 50 CCAA CN1CCC(CNC(=O)CNC(=O)c2ccccc2)CC1 74900335 VUEKECLLMNTNNI-UHFFFAOYSA-N 289.379 0.874 0 50 CCAA CN(CCCc1cnn(C)c1)C(=O)[C@H](O)C(F)(F)F 71388697 TWSXKVIHWSSPIA-VIFPVBQESA-N 279.262 0.734 0 50 CCAA OC[C@]1(F)CCCN(c2ccnc(N3CCOCC3)n2)C1 376184829 PDOYODZSDCDYDR-AWEZNQCLSA-N 296.346 0.614 0 50 CCAA O=C1C[C@H](C(=O)N2CC[C@@H](N3CCCC3)C2)CCN1 153392584 JLCLUIBXPFVLEY-VXGBXAGGSA-N 265.357 0.209 0 50 CCAA CCC(=CC(=O)N1C[C@@H](OC)C[C@H]1C(N)=O)CC 284620431 PACCSYCPWJKISL-QWRGUYRKSA-N 254.330 0.834 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)c1ncccc1O 220710773 ADFFANLCUXULLX-SECBINFHSA-N 291.311 0.516 0 50 CCAA CC(C)(CN1C[C@H]2CC[C@@H](C1)NC2)N1CCOCC1 426541746 XIROFXTXIIBPET-KBPBESRZSA-N 267.417 0.781 0 50 CCAA CN(C)C(=O)NCC(=O)N1CCC[C@@H](Cn2ccnc2)C1 223640853 XTYFWPZFANTJPP-LBPRGKRZSA-N 293.371 0.393 0 50 CCAA Cc1nc(CC(N)=O)nn1-c1ccc2c(c1)OCO2 91304045 ASMHDUMJYOZMKB-UHFFFAOYSA-N 260.253 0.332 0 50 CCAA CN(C)[C@H](C(=O)NCC(=O)NC1CC1)c1ccccc1F 91486949 OFQKBPWRYCIFFS-AWEZNQCLSA-N 293.342 0.823 0 50 CCAA C[C@@H]1CNCCN1S(=O)(=O)CCOc1ccccc1 426534547 XPHQRZKYKFNXGG-GFCCVEGCSA-N 284.381 0.689 0 50 CCAA Cn1cc([C@@H]2CNCCN2C(=O)c2cccn2C)cn1 181355290 XSTLMNKWQKLFDP-ZDUSSCGKSA-N 273.340 0.545 0 50 CCAA COC(=O)CCn1cc(C(=O)OC)c2n[nH]c(=O)c-2c1 253402846 GRSSVBWDZAEULV-UHFFFAOYSA-N 279.252 0.026 0 50 CCAA COc1coc(C(=O)Nc2ccn3nnnc3c2)cc1=O 604419723 UPIBPLWTSNKQEC-UHFFFAOYSA-N 287.235 0.338 0 50 CCAA Cn1cc(CCC(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)cn1 534653123 SIVRGQOBZOVDRM-VXGBXAGGSA-N 276.340 0.289 0 50 CCAA COc1nc(C(=O)N=c2cc(-c3ccco3)[nH][nH]2)nn1C 1940193420 BJOWQYKLVKYFEP-UHFFFAOYSA-N 288.267 0.481 0 50 CCAA O=C(NCCN1CCC[C@H](CO)C1)c1ncccc1O 299790891 BYMYLIIBLODVCF-NSHDSACASA-N 279.340 0.221 0 50 CCAA CC(C)n1cnnc1CCN[C@@H](C)CN1CCN(C)CC1 823789485 WKCJNPUQUZRBGO-AWEZNQCLSA-N 294.447 0.627 0 50 CCAA CN(C)CCC1CCN(c2cc3nncn3c(N)n2)CC1 823693086 VTDZXMXLMFVFNX-UHFFFAOYSA-N 289.387 0.875 0 50 CCAA CCOC(=O)N1CCC(N[C@H]2CN(C)C[C@@H]2OCC)CC1 584886116 HNDKROQMTXKAJD-KBPBESRZSA-N 299.415 0.916 0 50 CCAA CC[C@@H](C(=O)O)C(=O)N1CCN(C(=O)C2CC2)CC1(C)C 585134299 MCQCEKSVPRVYFO-LLVKDONJSA-N 296.367 0.957 0 50 CCAA CC[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ncc(C)[nH]1 670468717 FDCCJDLIOCCRPH-SECBINFHSA-N 275.312 0.693 0 50 CCAA COc1cc(CN(C)c2nccn3nnnc23)sn1 1337983815 OTNJFJPGNGPRAN-UHFFFAOYSA-N 277.313 0.621 0 50 CCAA C[C@@H](C(=O)N1C[C@@H](N(C)C)[C@H](C)C1)N1CCCCC1=O 685939520 FBBBGIYBYRZBNK-FRRDWIJNSA-N 281.400 0.796 0 50 CCAA O=S(=O)(NC[C@H]1COCCO1)c1cnn2ccccc12 1434545970 VBISGWWLYLKUKX-JTQLQIEISA-N 297.336 0.028 0 50 CCAA COc1c(C(=O)O)sc(S(N)(=O)=O)c1OC 1554770500 OZORAJJZNXBTLC-UHFFFAOYSA-N 267.284 0.111 0 50 CCAA CCSCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 952974830 FWZGUVMQWFKQMU-SECBINFHSA-N 259.375 0.646 0 50 CCAA C[C@H]1CCCN(C(=O)CN2CCNCC2=O)[C@@H]1C 237693885 HRJYMBQPXOFRFN-WDEREUQCSA-N 253.346 0.065 0 50 CCAA Cc1ccnc(N2CC[C@@H](N=c3ccc4nccn4[nH]3)C2)n1 547694716 JQWNGQVWSCSLAK-GFCCVEGCSA-N 295.350 0.940 0 50 CCAA C[C@H](O)[C@H]1CN(C(=O)N[C@H]2CCCn3nccc32)CCO1 637758664 DSJSKARFYIETIF-GMXVVIOVSA-N 294.355 0.509 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1Cc1csnn1 188912352 MOLPVPZRHDJKLC-JTQLQIEISA-N 254.359 0.885 0 50 CCAA CN(Cc1nc(=O)o[nH]1)C(=O)Cc1cc(F)ccc1F 640452972 MELIIHYEWAZMDZ-UHFFFAOYSA-N 283.234 0.842 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1nc(C(C)(C)C)no1 643826208 IAMVUJBXXIAMHO-CQSZACIVSA-N 296.371 0.833 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ccncc1F 643852439 CLXXROJTCDGZIX-ZDUSSCGKSA-N 282.271 0.927 0 50 CCAA O=C(O)CCCCNC(=O)[C@H]1CCc2ncncc2C1 647729849 XVECOJTZHKDVIG-JTQLQIEISA-N 277.324 0.953 0 50 CCAA Cc1sc(C(N)=O)cc1NC(=O)[C@H]1CN(C)CCO1 676184246 OXHWVSLPQJKQNI-SECBINFHSA-N 283.353 0.425 0 50 CCAA O=C(COC[C@@H]1CCCO1)Nc1cnc2nccn2c1 585126371 XNNROBHWXFRSIG-NSHDSACASA-N 276.296 0.863 0 50 CCAA Cn1ccc(-c2cc(C(=O)NC3CC4(C3)C[C@@H]4N)no2)n1 1615547342 SVQGIGUZYNKASU-ZAQGZADTSA-N 287.323 0.685 0 50 CCAA Cc1nn[nH]c1NC(=O)Cn1c(C)nc2ccccc2c1=O 1630642697 RMDLTPKKZPNKDQ-UHFFFAOYSA-N 298.306 0.770 0 50 CCAA CN1CCC[C@H]1CNc1cc(NCCO)ncn1 1506406202 FCXNHZHQNJZLPN-JTQLQIEISA-N 251.334 0.387 0 50 CCAA O[C@H]1CN(c2ccncc2F)C[C@@H]1N1CCOCC1 1506403972 QFELFLMIWFQDID-STQMWFEESA-N 267.304 0.102 0 50 CCAA CCn1ncnc1CN1C[C@@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1529158624 HJWJLSBLQRLYRB-DGCLKSJQSA-N 290.371 0.365 0 50 CCAA Cc1cc(C(N)=O)c(N2CC[C@H](N(C)C)C2)nc1C 1529133866 DSZOEMTVWDCJQK-NSHDSACASA-N 262.357 0.938 0 50 CCAA COCC1(CNc2cc3nncn3c(N)n2)CCC1 1529133678 VPJJJIXSRCVZSJ-UHFFFAOYSA-N 262.317 0.935 0 50 CCAA N[C@H]1CC[C@H](NC(=O)CCn2cc(Cl)cn2)C1 214897482 LMBJGTQAGGBTBJ-UWVGGRQHSA-N 256.737 0.923 0 50 CCAA CCc1cc(N[C@H]2CNCC[C@H]2OC)nc(N(C)C)n1 1704313394 PJNANGDTOCEKBE-NWDGAFQWSA-N 279.388 0.894 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCNC[C@@](C)(F)C2)o1 334966778 FVXVZMKJESCRSB-LLVKDONJSA-N 276.333 0.910 0 50 CCAA O=C(O)[C@H]1COCCN(C(=O)c2n[nH]c3ccccc23)C1 1772815295 GGGRQGXEUDMRSE-SECBINFHSA-N 289.291 0.736 0 50 CCAA Cc1nn[nH]c1C(=O)NCc1cccn2nccc12 1772809187 OODSFKUWKLRMMK-UHFFFAOYSA-N 256.269 0.691 0 50 CCAA Cc1nnnn1CCC(=O)NCc1cccn2nccc12 1772807712 SRNZSGQJYGCGJY-UHFFFAOYSA-N 285.311 0.336 0 50 CCAA CC1CCN(C[C@H](O)CN2CCC(CN)CC2)CC1 15781557 UAWYAZCAXAUSNL-HNNXBMFYSA-N 269.433 0.750 0 50 CCAA Cc1cc(C)n([C@@H]2CCN(c3nc(C(=O)O)nn3C)C2)n1 1857680759 OGCRSEKQSRDAJH-SNVBAGLBSA-N 290.327 0.778 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccc2c(c1)OCO2 129388720 LHRFCCVVCNOEAZ-SNVBAGLBSA-N 293.275 0.731 0 50 CCAA CCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C 180653 VGEDYZGUKKAHLN-UHFFFAOYSA-N 291.355 0.824 0 50 CCAA Cn1nccc1[C@H]1OCC[C@@H]1Nc1cncc(C(N)=O)n1 424101548 YSZRJJZNDFADJX-UFBFGSQYSA-N 288.311 0.251 0 50 CCAA C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ncc[nH]1 632331230 IEAFEKIZDCVSAW-QWRGUYRKSA-N 284.385 0.657 0 50 CCAA O=C(O)CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 238186365 FVXYMQRTNKVULJ-MRVPVSSYSA-N 266.228 0.452 0 50 CCAA COc1nccc(C(=O)NC[C@@H]2CCN(C)C(=O)C2)n1 823199036 XOMHJJHPJKQPDH-SECBINFHSA-N 278.312 0.083 0 50 CCAA C[C@H]1CS(=O)(=O)CCN1Cc1cnn(CCF)c1 929694195 UUDLCGUWMXREHS-JTQLQIEISA-N 275.349 0.472 0 50 CCAA C=CS(=O)(=O)CCC(=O)Nc1ccc2c(c1)nnn2C 952883275 ZFKGBJGMUFXCQR-UHFFFAOYSA-N 294.336 0.855 0 50 CCAA O=C1C[C@@]2(CCCN(C(=O)/C=C/CN3CCCC3)C2)CN1 1875338214 PWOOMSLAGJZQRM-WMHVBEDNSA-N 291.395 0.767 0 50 CCAA COCCn1cc(C(=O)N[C@H]2C[C@H](N)C23CCC3)cn1 1775961216 HMYQTECEPSJVMH-RYUDHWBXSA-N 278.356 0.529 0 50 CCAA O=S(=O)(CCc1cn[nH]c1)c1nc(CO)cs1 899512531 GCQKMTLFCRTLPO-UHFFFAOYSA-N 273.339 0.375 0 50 CCAA COC[C@@H](OC)C(=O)Nc1ccc(C(=O)O)cc1 659120297 JOZCZUSZXGIOJZ-SNVBAGLBSA-N 253.254 0.985 0 50 CCAA COC[C@@]1(C(=O)Nc2cnn(C)c2C)CCCN1 643710162 WDWOSRNLDQUGJL-GFCCVEGCSA-N 252.318 0.436 0 50 CCAA CCC[C@H](NC(=O)N1CCc2n[nH]cc2C1)C(=O)O 396824398 MAKOXESLBYDTHC-JTQLQIEISA-N 266.301 0.731 0 50 CCAA CO[C@@H]1CN[C@@H](C(=O)NS(=O)(=O)Cc2ccccc2)C1 2325764971 JYSZKGKBJLKWMB-NWDGAFQWSA-N 298.364 0.010 0 50 CCAA Cc1cc(F)c2c(c1)N[C@H](C(=O)NCC1(O)CC(N)C1)C2 2325801706 SKTVMCUDDBHZMQ-MEXZMNCTSA-N 293.342 0.439 0 50 CCAA CC(C)(C)OC(=O)N1CC(=O)N2CCCC(=O)NC[C@H]2C1 2325712122 PTADMIRKJJUSBD-JTQLQIEISA-N 297.355 0.344 0 50 CCAA Cc1cc(C)c2c(c1)[C@](O)(N1CCOCC1)C(=O)N2 440574 HGFYELXKZPKSOD-CQSZACIVSA-N 262.309 0.733 0 50 CCAA CCOC(=O)N1CCN(C(=O)c2cnsn2)CC1 479777 ZRMKGEWKAQYBII-UHFFFAOYSA-N 270.314 0.452 0 50 CCAA Cc1ccc(-n2cnnn2)cc1N1C(=O)N[C@H](C)C1=O 225454139 BARLHGRFDFOULB-MRVPVSSYSA-N 272.268 0.415 0 50 CCAA O=S(=O)(C1CC1)N1CCS[C@H]2COCC[C@@H]21 134686563 UCBQLUOPOGRCJK-UWVGGRQHSA-N 263.384 0.685 0 50 CCAA CCCn1nccc1C(=O)N1C[C@H](N(C)C)C[C@H]1CO 65396598 MRORKSREWKMQDW-NEPJUHHUSA-N 280.372 0.430 0 50 CCAA CC(C)Cn1ncnc1CS(=O)(=O)[C@@H](C)[C@H](C)O 330736095 WTHSUDWNZJRYLK-UWVGGRQHSA-N 275.374 0.618 0 50 CCAA CC(=O)N1CCN(C(=O)CCN2CCC[C@H](C)C2)CC1 20608374 WUEAYOSHDCKICK-ZDUSSCGKSA-N 281.400 0.799 0 50 CCAA CC(C)(C)c1ncc2c(n1)CN(C(=O)Cn1cnnn1)C2 67655131 OAEWLZBSYFGEMK-UHFFFAOYSA-N 287.327 0.303 0 50 CCAA COc1ccc([C@@H](O)Cn2nnc(CO)c2CO)cc1 409444169 MJHLEASMNHKLRX-ZDUSSCGKSA-N 279.296 0.005 0 50 CCAA O=C(O)Cn1c(Cc2ccccc2F)n[nH]c1=O 65405883 URNMUAHXLGXGBZ-UHFFFAOYSA-N 251.217 0.386 0 50 CCAA CCS(=O)(=O)NC[C@@H](c1cccnc1)N1CCOCC1 36096916 ATAJACRGDMWXTA-ZDUSSCGKSA-N 299.396 0.394 0 50 CCAA COC1(CNC(=O)c2cnnn2C)CCCCC1 281470574 UTACUPVWTWCXQC-UHFFFAOYSA-N 252.318 0.894 0 50 CCAA CCc1cc(N2CC(C(C)(C)O)C2)n2ncnc2n1 436467269 ZKTPMYYRORYPNX-UHFFFAOYSA-N 261.329 0.894 0 50 CCAA COc1cccc(N2CCC[C@@H](NC(=O)C(=O)O)C2=O)c1 364182958 OHDMXBVLQKDPIZ-LLVKDONJSA-N 292.291 0.391 0 50 CCAA NC(=O)CNc1nc(-c2ccncc2)nc2c1CCNC2 71748796 RAWAXUMEDDSYBA-UHFFFAOYSA-N 284.323 0.082 0 50 CCAA CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O 35024357 AYMLQYFMYHISQO-MRVPVSSYSA-N 255.274 0.930 0 50 CCAA CN1CC[C@@H](CNS(=O)(=O)c2cccnc2)C1 333217270 VUASWINBCWADEZ-JTQLQIEISA-N 255.343 0.312 0 50 CCAA CCc1cc(CN(C)C(=O)c2nnc(CN(C)C)o2)on1 71752576 ZECUXQYQIVMAED-UHFFFAOYSA-N 293.327 0.954 0 50 CCAA CC(C)c1nccc(C(=O)N[C@@H]2CCNC[C@H]2O)n1 77408245 ZMDUYLDKICLRCT-MWLCHTKSSA-N 264.329 0.053 0 50 CCAA O=C(CCOC1CCOCC1)N1CC[C@](O)(C2CC2)C1 373354509 LLNYDPAGZWVRRC-OAHLLOKOSA-N 283.368 0.946 0 50 CCAA NC(=O)c1cccc(C[C@@H]2CCN(CCOCCO)C2)c1 72149426 UKGRMGKTNDDLTD-AWEZNQCLSA-N 292.379 0.659 0 50 CCAA CCCc1cc(N2CCS(=O)(=O)CC2)n2nccc2n1 72426725 XTGSGXCXQCOGTJ-UHFFFAOYSA-N 294.380 0.917 0 50 CCAA COCC1(C(=O)N2CCC[C@H](CC(N)=O)C2)CCOCC1 378035620 HNVPHTJEPSAKFQ-GFCCVEGCSA-N 298.383 0.544 0 50 CCAA CC[C@@H](NC(=O)CNS(C)(=O)=O)c1nccs1 130574243 VAOCKFRGABPWFR-SSDOTTSWSA-N 277.371 0.260 0 50 CCAA CC(C)N1C[C@@H](NC(=O)N(C)Cc2ncc[nH]2)CC1=O 426405178 RBLTZKNRHYEPBO-JTQLQIEISA-N 279.344 0.560 0 50 CCAA COCCNS(=O)(=O)c1cnc(NC(C)=O)s1 40456193 ATCWRMJWOGNZTE-UHFFFAOYSA-N 279.343 0.026 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N(CCO)Cc1nccs1 426582941 ZREBYJNMTWNTAX-UHFFFAOYSA-N 292.364 0.990 0 50 CCAA Nc1n[nH]c(CNC(=O)c2nc3ccccc3[nH]2)n1 426641599 VYSMTZZKYVILSS-UHFFFAOYSA-N 257.257 0.193 0 50 CCAA CN(Cc1cn(C)nn1)C(=O)[C@@H](CO)c1ccccc1 618817269 UYHNQKJDFZSZDL-ZDUSSCGKSA-N 274.324 0.550 0 50 CCAA Cc1nc([C@H](C)NC(=O)CCCn2cccn2)n[nH]1 343337781 PTZREZICZMUZJG-VIFPVBQESA-N 262.317 0.967 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 299743662 OLASIMGHZMOBFD-NSHDSACASA-N 291.303 0.933 0 50 CCAA Cc1cnn([C@@H](C)CNS(=O)(=O)c2cn(C)cn2)c1 534633531 RTIXZHZKZJSQBE-JTQLQIEISA-N 283.357 0.465 0 50 CCAA CCC(=O)N[C@@H](c1nnc2n1CCNCC2)C(C)C 299798290 RWEDBOLIFXKOBQ-GFCCVEGCSA-N 265.361 0.647 0 50 CCAA C[C@H]1CN(C2CCN(C(=O)c3cnn[nH]3)CC2)C[C@@H](C)O1 299779122 PVNICSRSVOZJNT-PHIMTYICSA-N 293.371 0.519 0 50 CCAA CCc1noc(CCN[C@@H](C)CN2CCOCC2)n1 823569380 JAVOTEOAIJTKFP-NSHDSACASA-N 268.361 0.485 0 50 CCAA OC[C@@H]1CN(C2CSCCSC2)C[C@H]1CO 670446911 GVUWEQGWMOWRPU-UWVGGRQHSA-N 263.428 0.368 0 50 CCAA Cc1cc2c(cc1C(=O)N[C@H]1CCOC[C@@H]1O)OCCO2 1565525346 IEQACEBKZHLLJH-RYUDHWBXSA-N 293.319 0.646 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)[C@@H](N)CCS2(=O)=O 72267140 WMBSIHWRPQTLQI-QMMMGPOBSA-N 276.358 0.122 0 50 CCAA in-vitro Cc1cc2cc(CNC(=O)Cn3[nH]nnc3=N)ccc2[nH]1 952975334 MUCNBHXBODWPGE-UHFFFAOYSA-N 285.311 0.192 0 50 CCAA Cc1noc([C@H]2C[C@@H](O)CN2C[C@H](O)C(F)(F)F)n1 408390404 VLFUNIHVVDTHTA-PRJMDXOYSA-N 281.234 0.409 0 50 CCAA CC(C)(C)OC(=O)Cn1cccc(C(=O)O)c1=O 168592928 VGHJFZGVOHCGDO-UHFFFAOYSA-N 253.254 0.888 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1ccn(C(C)C)n1 643824183 LROREFOTLGLAPX-AWEZNQCLSA-N 280.372 0.930 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)Nc1nccn(C)c1=O 191911591 PPICIIOBLIIPLP-RKDXNWHRSA-N 251.286 0.534 0 50 CCAA NC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc(F)cc1 647737400 VCENUKPRTATMIQ-OPRDCNLKSA-N 280.255 0.189 0 50 CCAA Cc1ncc(CN(C)C(=O)C2=NN3CCCN=C3N2)s1 649302665 GCOXAYQCXXLIJZ-UHFFFAOYSA-N 292.368 0.388 0 50 CCAA O=C(O)COc1cccc(CNS(=O)(=O)C2CC2)c1 570141733 VDTOFKXMIPAKSS-UHFFFAOYSA-N 285.321 0.732 0 50 CCAA O[C@@]1(Cn2ccnn2)CCN(CCOCC(F)(F)F)C1 671554488 BPRRZMFFKBJZHL-JTQLQIEISA-N 294.277 0.294 0 50 CCAA CO[C@@H]1CCCN(C(=O)c2cn(C)c(C)cc2=O)C1 1340149377 XMSXNYTXQXCXMX-LLVKDONJSA-N 264.325 0.945 0 50 CCAA CCn1cc(S(=O)(=O)NC(C)(C)CCN(C)C)cn1 1259841797 IHGQDHAEYQQUEB-UHFFFAOYSA-N 288.417 0.912 0 50 CCAA CC(C)[C@@]1(O)CN(C(=O)CCCn2cncn2)C[C@@H]1C 212547377 YCPYIWGLCXQPEH-JSGCOSHPSA-N 280.372 0.924 0 50 CCAA COc1ccc(NS(=O)(=O)N2CCOCC2)cc1 6703482 AYSPVXLLPOIYGP-UHFFFAOYSA-N 272.326 0.684 0 50 CCAA CCOC[C@@H]1CCCCN1C(=O)Cn1nc(C)oc1=O 640398431 JIFLUSSOLSXQIL-NSHDSACASA-N 283.328 0.562 0 50 CCAA C[C@@H]1CCCN(C(=O)c2cncn2C)[C@H]1C(=O)O 235292641 YOYQENRZEAYBLS-PSASIEDQSA-N 251.286 0.745 0 50 CCAA COCC[C@H]1COCCN1C(=O)CCn1cc(C)cn1 360942969 IENRMVVCAWQSAG-ZDUSSCGKSA-N 281.356 0.846 0 50 CCAA C[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C[C@H]1n1ccnc1 330981399 VQBBAYXPMPMVLU-VXGBXAGGSA-N 299.396 0.727 0 50 CCAA COc1ccc(OC)c(CNC(=O)[C@H]2NC(=O)O[C@H]2C)c1 225576008 KQVFLTGMWJZTLW-UFBFGSQYSA-N 294.307 0.817 0 50 CCAA CN(C)c1ccnc(C(=O)N(C)[C@H]2CCCCNC2=O)c1 130597951 ALHUYMDZWQDBEP-ZDUSSCGKSA-N 290.367 0.888 0 50 CCAA O=C(CNC(=O)c1cccc(F)c1)N[C@H]1C[C@@H](C(=O)O)C1 263292244 MHTNBBQDLQABGF-JGZJWPJOSA-N 294.282 0.535 0 50 CCAA O=C(NC1(C(=O)O)CCOCC1)c1ncc2n1CCCC2 902091747 LRCSCSLIQUQROY-UHFFFAOYSA-N 293.323 0.583 0 50 CCAA CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@@H](O)C(=O)N2)CC1 1772797820 ZTKKUHVQXIJPRT-WDEREUQCSA-N 284.356 0.883 0 50 CCAA CO[C@@H](C)[C@H](C)NC(=O)c1c[nH]nc1-c1ccn(C)n1 1776004085 NIMAHYYFGAIELP-IUCAKERBSA-N 277.328 0.963 0 50 CCAA OCCN1CCN(CCOc2ccc(F)cc2)CC1 33359702 PVJMIAKSWMUEOW-UHFFFAOYSA-N 268.332 0.814 0 50 CCAA NS(=O)(=O)C1(CN=c2cc[nH]cc2Cl)CCC1 721541175 IDPBSQZKEWPNKB-UHFFFAOYSA-N 275.761 0.780 0 50 CCAA Cc1nocc1CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 934354920 JFEFOMSIWHAVSW-GXSJLCMTSA-N 256.327 0.602 0 50 CCAA Cn1cccc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 864275586 ZKBHLSPBDNVPKB-LLVKDONJSA-N 280.324 0.882 0 50 CCAA COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)cc1 4815640 CVLUTDPQFAGIPK-JTQLQIEISA-N 287.279 0.809 0 50 CCAA COCCN(CC(N)=O)C(=O)Cc1ccc(OC)cc1 2325728759 COTWDWSYSUALSK-UHFFFAOYSA-N 280.324 0.198 0 50 CCAA NC1CCN(Cc2cn(-c3cccc(O)c3)nn2)CC1 2325787091 ABQCQYHPGHNXQV-UHFFFAOYSA-N 273.340 0.896 0 50 CCAA Cn1cncc1CC(=O)N1CC(c2cc(O)no2)C1 2325803456 HVLOFFSBIOCLDN-UHFFFAOYSA-N 262.269 0.282 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 56457 YTJJPFRVBNFIBN-UHFFFAOYSA-N 256.283 0.470 0 50 CCAA O=C(NC(=S)N1CCOCC1)c1ccc2c(c1)OCO2 613110 SUPNXSJZTFJWGA-UHFFFAOYSA-N 294.332 0.762 0 50 CCAA CN1CCN(NC(=O)COc2ccc3c(c2)CCC3)CC1 4750499 DEEVNPVNWANIAK-UHFFFAOYSA-N 289.379 0.833 0 50 CCAA Cc1nc(N(C)C)nc(N2CCN(C[C@@H](C)O)C[C@H]2C)n1 225336138 DEFBRTVCTYBULE-GHMZBOCLSA-N 294.403 0.137 0 50 CCAA O=C(NCCn1cccn1)c1ccc2nccn2c1 171745000 ZWIOVBGWFDEUCN-UHFFFAOYSA-N 255.281 0.961 0 50 CCAA CN(C)S(=O)(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 247986714 ZDEBNQZASPDBNP-UTLUCORTSA-N 276.358 0.511 0 50 CCAA C[C@H]1Oc2ccccc2N(CC(=O)N=c2cccn[nH]2)C1=O 346046028 ATHCUKVZGVOXAD-SNVBAGLBSA-N 298.302 0.651 0 50 CCAA COCC(=O)N1CCCN(Cc2ccc(CO)o2)CC1 65427973 ZXQBFRLBEJMLKP-UHFFFAOYSA-N 282.340 0.453 0 50 CCAA Fc1cnc(NCc2nnn[nH]2)nc1N1CCCC1 65384613 JYCVSWZTPDHINV-UHFFFAOYSA-N 264.268 0.341 0 50 CCAA Cn1nc(NC(=O)Cn2cncn2)c2ccccc21 63884750 VFOBLBJKEYUFBT-UHFFFAOYSA-N 256.269 0.804 0 50 CCAA CNC(=O)C1CCN(Cc2cc(C)nc(N(C)C)n2)CC1 252507554 WOLJGGGCLURLST-UHFFFAOYSA-N 291.399 0.809 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1Cc1cc(OC)cc(OC)c1 67935311 YBAZVRZBZDXGRW-FZMZJTMJSA-N 293.367 0.351 0 50 CCAA C[C@H]1CN(C[C@H]2CCCN2CC(N)=O)C[C@@H](C)O1 229467466 OZYSVDNFXMKBOT-GRYCIOLGSA-N 255.362 0.045 0 50 CCAA CC(C)n1cc(C(=O)NC[C@@]2(O)CCCNCC2)cn1 72153936 PGJZKMIMEYVVEO-CQSZACIVSA-N 280.372 0.698 0 50 CCAA O=C(c1ccnnc1)N1CC(O)(c2ccc(F)cc2)C1 328586518 ZRVXWKLYDHFNKE-UHFFFAOYSA-N 273.267 0.959 0 50 CCAA CC(=O)NCCNc1cc(-n2cnc(C)c2C)ncn1 72446714 VADZOVMMNZEWLR-UHFFFAOYSA-N 274.328 0.827 0 50 CCAA CCc1cc(NCCS(=O)(=O)NC)n2nccc2n1 72425094 NCRWYICFJDMKSK-UHFFFAOYSA-N 283.357 0.253 0 50 CCAA Cc1nc2n(n1)CCN(c1ccnc(N(C)C)n1)C2 330220950 LDQWLQMIVWVRKT-UHFFFAOYSA-N 259.317 0.463 0 50 CCAA CC1(C)CN(c2nccn3cnnc23)C[C@]2(CCOC2)O1 373669279 BJEWTAUZMONKEZ-AWEZNQCLSA-N 289.339 0.899 0 50 CCAA Cc1cn2cc(CNC(=O)C3=NNC(=O)CC3)nc2s1 216371370 PSWCVRUVOULBHB-UHFFFAOYSA-N 291.336 0.586 0 50 CCAA CCc1n[nH]c([C@H]2CN(C(=O)c3ccc[nH]3)CCO2)n1 173562205 UVLJOEIBCQSJJT-SNVBAGLBSA-N 275.312 0.909 0 50 CCAA O=C(CN1C[C@@H](F)C[C@H]1CO)N1CCc2ccccc2C1 335908726 ORAQPFSXAIWARB-GJZGRUSLSA-N 292.354 0.976 0 50 CCAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)C3CC3)C2)n1C 72439394 VWEBEKZHHGNBRQ-LBPRGKRZSA-N 291.399 0.993 0 50 CCAA Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@H]2CCCN2)C1 237889569 ICLNZPMVDAVJDJ-QWHCGFSZSA-N 276.384 0.953 0 50 CCAA CN1CC[C@H](C(=O)N2CC[C@@](C)(C(=O)O)C2)CC1=O 178260921 VXJDBSWIZRJFOS-TVQRCGJNSA-N 268.313 0.178 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)C2(N3CCCC3)CCCC2)CCO1 426477422 PIVVCPRKFKSSIE-LBPRGKRZSA-N 296.367 0.707 0 50 CCAA C[C@]1(O)CCN(C(=O)c2ccc3nccn3c2)C[C@@H]1O 96148992 GCKPDBYIVVDJIK-FZMZJTMJSA-N 275.308 0.292 0 50 CCAA Cc1cc(C)nc(CN(C)C(=O)Cn2cccnc2=O)c1 97570815 ATVRWSKICHECHO-UHFFFAOYSA-N 286.335 0.914 0 50 CCAA Cc1nc(C)c(C)c(NCCc2noc(CO)n2)n1 92046999 BSPIDFSUQNHPNK-UHFFFAOYSA-N 263.301 0.932 0 50 CCAA CCNC(=O)CN1CCN(c2ccnc(C)c2)CC1 96180808 NTXCJYYSVAPNJF-UHFFFAOYSA-N 262.357 0.648 0 50 CCAA Cn1cc(CCC(=O)N2[C@H]3CC[C@@H]2CCNC3)cn1 97527252 WBVDINWUUZGKJA-OLZOCXBDSA-N 262.357 0.706 0 50 CCAA CCn1cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cn1 245227379 FHZXWPAHZSKREM-NSHDSACASA-N 284.385 0.372 0 50 CCAA O=C(NC[C@H]1CCC2(CCNCC2)O1)C1CCOCC1 299794222 JWFRZYARQZAIOA-CYBMUJFWSA-N 282.384 0.830 0 50 CCAA O=C(NCC1CCN(c2cnccn2)CC1)c1cncnc1 828202232 LSHKCXUMGQUQHM-UHFFFAOYSA-N 298.350 0.913 0 50 CCAA C[C@H](CN1CCCC1)C(=O)N1CCCNC(=O)C1 828308670 CPYHEKWQTPDUCS-LLVKDONJSA-N 253.346 0.067 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)c1ccc[nH]1 584890657 PVVRAYSVOBJYFZ-SECBINFHSA-N 263.301 0.744 0 50 CCAA CN(CC1(CO)CCCC1)S(=O)(=O)c1cn[nH]c1 670452050 KOXYBCVJQLLSIF-UHFFFAOYSA-N 273.358 0.583 0 50 CCAA CN(CCN(C)C1CC1)C(=O)[C@@H]1CCCc2nn[nH]c21 408517229 CWCDXSWVCIRAGA-LLVKDONJSA-N 277.372 0.777 0 50 CCAA C[C@H]1C(=O)NCCN1C(=O)c1cc2c([nH]c1=O)CCCC2 109270526 DNILNEIPHFGZOT-VIFPVBQESA-N 289.335 0.214 0 50 CCAA C=CC(=O)N1CCC(n2cc(C(=O)O)nn2)CC1 1588656669 WHFLZAJNHNWYPC-UHFFFAOYSA-N 250.258 0.326 0 50 CCAA C[C@H]1CC[C@@H](C(N)=O)CN1c1cc(=O)n2ccccc2n1 170604140 DRMRZFVMXHDWSU-WDEREUQCSA-N 286.335 0.785 0 50 CCAA CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)C1=CCCC1 548026046 SALHTIFFFGSHMQ-RYUDHWBXSA-N 283.347 0.453 0 50 CCAA CCc1ncncc1C(=O)N[C@H]1CCN(C)C(=O)C1 684487549 SFNCCAVPYJIXBM-VIFPVBQESA-N 262.313 0.390 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)Cc1ccncc1 644057776 JDNPWLYHAOGDSA-AWEZNQCLSA-N 277.324 0.117 0 50 CCAA O=C(O)c1coc(N2CCN(c3ncc[nH]3)CC2)n1 649395063 OEQQMNNCFDIYJV-UHFFFAOYSA-N 263.257 0.423 0 50 CCAA CC(C)CN1CCN(C(=O)NCCCC(=O)N(C)C)CC1 193841463 PBHDSSKNMUKOQK-UHFFFAOYSA-N 298.431 0.838 0 50 CCAA Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCCC(=O)N1)CC2 193999178 OEZMRIATCDUYOQ-GHMZBOCLSA-N 291.355 0.076 0 50 CCAA CCn1nc(C)c(CNC(=O)[C@@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)n1 1615551497 CFBKBZNVTFTRNF-KKOKHZNYSA-N 277.372 0.596 0 50 CCAA CCOCCc1nnc(NC(=O)[C@@H](C)n2cncn2)s1 1529168174 YKHYRMAFFSKCIW-MRVPVSSYSA-N 296.356 0.908 0 50 CCAA CC(C)N1C[C@H](CN2CC3(CNC(=O)N3)C2)CCC1=O 1800410609 XCTXAPNBHLFJDL-NSHDSACASA-N 280.372 0.001 0 50 CCAA CNC(=O)CCCC(=O)N1CCOC[C@H]1C1CC1 368810860 QBRBEYUGFBTYRX-NSHDSACASA-N 254.330 0.540 0 50 CCAA CCc1ncnc(N2CCN3CCOC[C@@H]3C2)c1F 371810648 SBFXKGIIAQZKOT-JTQLQIEISA-N 266.320 0.699 0 50 CCAA S=C(Nc1ccccc1)NC12CN3CN(CN(C3)C1)C2 19323316 FFQPQQSFGFXWSC-UHFFFAOYSA-N 289.408 0.531 0 50 CCAA C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CO 8436838 MDSIZRKJVDMQOQ-GORDUTHDSA-N 262.091 0.151 0 50 CCAA in-vitro,metabolite O=C(c1cccnc1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857669200 UKNCVBMOZKUBCD-DOMZBBRYSA-N 287.319 0.645 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2c[nH]c(=N)s2)C[C@H]1O 1875243194 VOJYGLRCVHNFSH-ZWNOBZJWSA-N 299.396 0.541 0 50 CCAA Cc1cc2c(cc1S(=O)(=O)N1CC[C@@H](N)C1)OCO2 225424922 DWPMGLOSCXYRRB-SECBINFHSA-N 284.337 0.445 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)N[C@@H]2CCCn3nccc32)CCO1 635524949 OYEUPXRMEQUJTF-KOLCDFICSA-N 294.311 0.213 0 50 CCAA CCOC[C@H](C)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 332407736 MLTGUNYAMASYBU-MISXGVKJSA-N 280.372 0.707 0 50 CCAA CCOC(=O)CC[C@@H](C)N1CCO[C@H](CC(=O)OC)C1 253415758 UYBZQJTYVRPTPZ-VXGBXAGGSA-N 287.356 0.982 0 50 CCAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)c1cncc(F)c1 356671307 JAXMSTCEBIGQQP-ZEGGKSINSA-N 295.314 0.380 0 50 CCAA Cc1cn(C)nc1Cn1cnc2c(N(C)C)ncnc21 901478351 FDIJOKFPFBPRNS-UHFFFAOYSA-N 271.328 0.983 0 50 CCAA O=C1CC[C@@H](NCC2(O)CCCC2)[C@H]([C@H]2CCCO2)N1 905494928 GGPYHCCEYRFDSK-YRGRVCCFSA-N 282.384 0.707 0 50 CCAA COc1nccc(C(=O)N2CCC[C@H]2Cn2ccnn2)n1 935890346 SDEVPHFNRVHBNW-JTQLQIEISA-N 288.311 0.382 0 50 CCAA Cc1ccc(CC(=O)NCCn2ccc(O)nc2=O)cc1 952883259 VNZBZCLMUAGHIH-UHFFFAOYSA-N 287.319 0.616 0 50 CCAA Cc1cc(NC(=O)c2cn(C3COC3)nn2)cn(C)c1=O 1875276058 IKDYPPCERHRQJF-UHFFFAOYSA-N 289.295 0.109 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N1C[C@@H]2C[C@@H](O)[C@H]1C2 1875296328 QORGBCGCGWBBDZ-NBEYISGCSA-N 280.353 0.824 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@]1(C)CCCCNC1=O 1875333106 AXWXCVDEBOZOMA-GFUIURDCSA-N 268.313 0.138 0 50 CCAA O=C(N[C@@H]1CCCC[C@H]1O)NS(=O)(=O)c1ccccn1 1875328355 NHTABRRIURYORA-NXEZZACHSA-N 299.352 0.373 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)[C@]1(C)CCOC1 1875380740 YDBJWPIPDNHEMZ-CYBMUJFWSA-N 254.330 0.658 0 50 CCAA CC(C)OC[C@H](O)CN1C(=O)CN(C2CCCC2)C1=O 157636560 GWHQCNHYTMUKFF-GFCCVEGCSA-N 284.356 0.979 0 50 CCAA COc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1 262696312 BDBOYFXVMNIUDD-UHFFFAOYSA-N 279.292 0.747 0 50 CCAA O=C([C@@H]1CC(F)(F)CN1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 263184083 HBMPHXSZLOYNPM-KAMPLNKDSA-N 272.295 0.619 0 50 CCAA O=C(CN(Cc1ccccn1)C1CC1)N1CCOCC1 181306536 PSQPLQIKVQCXFW-UHFFFAOYSA-N 275.352 0.905 0 50 CCAA CCc1nc(CCN[C@H](C)CS(C)(=O)=O)no1 584896804 OPGYPQKAGYJSFT-MRVPVSSYSA-N 261.347 0.197 0 50 CCAA COC(=O)C1(NC(=O)C[C@H]2CO[C@H](CN)C2)CCCC1 2325780229 QTUZFQSXWPKFSM-QWRGUYRKSA-N 284.356 0.342 0 50 CCAA CNC(=O)/C(=C/NC(=O)c1ccccc1)C(=O)OC 2325899681 QVVSCWLJCRTJBD-NTMALXAHSA-N 262.265 0.219 0 50 CCAA Cc1ccc(OC[C@@H](O)CN(CCO)CCO)cc1C 2940546 DKXMDEQVOHMKNG-AWEZNQCLSA-N 283.368 0.330 0 50 CCAA Nc1c(N)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O 8733295 QDBLBKLKHLHVQD-UHFFFAOYSA-N 252.661 0.344 0 50 CCAA Cc1cc2c(=N[C@H]3CC[S@@](=O)C3)[nH]ccn2n1 330045970 IKVQYBFVWDMYFZ-HUTHGQBESA-N 250.327 0.393 0 50 CCAA O=C([C@@H]1CCC(O)=N1)N1CCO[C@@H](COCC2CC2)C1 330131721 LBDDHBDRIGAJFH-NEPJUHHUSA-N 282.340 0.759 0 50 CCAA Cc1ncn(CC2(CS(C)(=O)=O)CC2)c(=O)c1C 331381329 JOKDTGHHOLWVRM-UHFFFAOYSA-N 270.354 0.685 0 50 CCAA Cn1nnc2c1C[C@H](C(=O)N1CCC[C@@H]1CF)CC2 329302210 NHQOFJQFPDTMCR-NXEZZACHSA-N 266.320 0.881 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)N(C)Cc1cnc(N(C)C)nc1 332150512 OIEIYMFZOQIBGL-VXGBXAGGSA-N 278.356 0.926 0 50 CCAA Cc1nc2sccn2c1C(=O)NC[C@]1(O)CCNC1 72165305 HZLVYVCWMJVCRC-LBPRGKRZSA-N 280.353 0.158 0 50 CCAA CNC(=O)c1cccc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1 263360134 YEBCEUUQFHXAED-PHIMTYICSA-N 276.292 0.639 0 50 CCAA CNC(=O)[C@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 178551267 GGHRBSZWNLRECH-UONOGXRCSA-N 289.379 0.714 0 50 CCAA CCn1nc(C)c([C@H](C)NC(=O)Cc2nc(O)n[nH]2)c1C 426697637 ZQLQJQVZNDEEDD-ZETCQYMHSA-N 292.343 0.763 0 50 CCAA O=C(Cn1cccc1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 222406341 CDUIJOXUJDBYKE-SLBVQIDZSA-N 289.379 0.856 0 50 CCAA NC(=O)CN1CCC(N[C@@H]2CCCSC2)CC1 61587984 CMLVKPIXQTWFFW-LLVKDONJSA-N 257.403 0.421 0 50 CCAA OCCNc1nc([C@H]2CCOC2)cc(N2CCCCC2)n1 426438943 VFJILVUNJLYRIV-LBPRGKRZSA-N 292.383 1.375 0 50 CCAA CN(CC(=O)NCc1nc(C2CCCCC2)no1)C(N)=O 426526298 UIJOEAJMHHKTMS-UHFFFAOYSA-N 295.343 0.744 0 50 CCAA C[C@@H]1CN(C(=O)c2coc(CN3CCOCC3)c2)CCN1 95365839 SUXSQXLVYKZDGC-GFCCVEGCSA-N 293.367 0.546 0 50 CCAA CN1C(=O)[C@@H]2N=C(Cc3ccccc3)N[C@H]2N(C)C1=O 95495701 QOZZUTNLSJJWNT-NEPJUHHUSA-N 272.308 0.449 0 50 CCAA CC(C)NC(=O)CNC(=O)c1cc(C(F)(F)F)n[nH]1 97759480 QPQNBYOSHRTHEW-UHFFFAOYSA-N 278.234 0.683 0 50 CCAA CN(CCn1cccn1)C(=O)[C@@H]1CSC(C)(C)C(=O)N1 97515140 ZRPDPJVVKKBGHI-JTQLQIEISA-N 296.396 0.352 0 50 CCAA CCc1ncc(C(=O)N2CCO[C@@H](C(=O)O)C2)s1 237066906 GGAFPVKNFHMXOD-SSDOTTSWSA-N 270.310 0.631 0 50 CCAA CN1CCCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 239164967 NGANAPMADUZCKP-AWEZNQCLSA-N 287.363 0.956 0 50 CCAA Cc1cc(C)n(CCC(=O)N(C)Cc2ncon2)n1 244659788 HIRMLUMJVVYHSV-UHFFFAOYSA-N 263.301 0.932 0 50 CCAA CC(C)(C)OC(=O)N1[C@H]2C[C@H]3[C@H](OC(=O)[C@H]31)[C@H]2N 601012592 QMVRDHPPSUKTIG-QVWMKHDWSA-N 254.286 0.247 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)CCc1n[nH]c(C)c1C 534591602 GHSSYULSECQOTG-STQMWFEESA-N 280.372 0.404 0 50 CCAA CNC(=O)[C@H](C)N(C)C(=O)NCCCNc1cccnc1 534631025 SWBWPNAAHVXOSL-NSHDSACASA-N 293.371 0.660 0 50 CCAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)C1CCNCC1)C2 534577273 YSALWGQXISVUKJ-ITGUQSILSA-N 252.358 0.869 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)NCc1nccn1C(C)C 534662604 MLLXFEAUJQLADX-LLVKDONJSA-N 288.417 0.881 0 50 CCAA COCCOCC(=O)N[C@@H](c1nccn1C)C(C)C 299795376 MRAFOZOCVHVVAS-GFCCVEGCSA-N 269.345 0.896 0 50 CCAA Nc1nc2c(c(-c3ncnn3CCO)n1)CCCC2 828778257 BXKVJRZPOPRTIW-UHFFFAOYSA-N 260.301 0.188 0 50 CCAA O=C1CCCN1CCCn1cnc2cccnc2c1=O 584899784 CHIPJNSSXUCVTN-UHFFFAOYSA-N 272.308 0.804 0 50 CCAA CCC(=O)N1CCC(C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 822529263 ALAQCHRIMSWFRL-GFCCVEGCSA-N 295.383 0.359 0 50 CCAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](O)C2 823597189 UVVSXYQZHHUXPV-SNVBAGLBSA-N 295.408 0.942 0 50 CCAA CCc1csc(CCNC(=O)c2cc(N)n[nH]2)n1 584895589 KQSYLGKHANNREA-UHFFFAOYSA-N 265.342 0.983 0 50 CCAA C[C@@H](Cn1cncn1)n1cnc2ccncc2c1=O 584902898 BBZCTMMQWJFQJR-VIFPVBQESA-N 256.269 0.644 0 50 CCAA Cc1cnc(N2CC[C@@H](O)[C@@H](C(=O)O)C2)nc1N(C)C 1529105870 IWYPWGDUVZWZQA-VHSXEESVSA-N 280.328 0.123 0 50 CCAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC(=O)NC1=O 210320696 JLVDUUZOMURIAK-SNVBAGLBSA-N 287.319 0.906 0 50 CCAA COC[C@]1(C(=O)O)CCN(c2cc(C)nc(OC)n2)C1 517033424 JYNAIFBKTUZHHI-ZDUSSCGKSA-N 281.312 0.721 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1nc(C)ccc1O 643762930 NCBFORSOUFGSHB-AWEZNQCLSA-N 279.340 0.562 0 50 CCAA CCOC[C@@H](O)Cn1cnc2cccc(F)c2c1=O 193813678 MOLMSYRTHIYQCZ-VIFPVBQESA-N 266.272 0.933 0 50 CCAA COC[C@@]1(C)CCN(c2nc(=N)[nH]c3c2cnn3C)C1 570696949 YDWOINYTUSIHAP-ZDUSSCGKSA-N 276.344 0.639 0 50 CCAA NC(=O)[C@@]1(O)CCN(C(=O)NCC2(C3CC3)CCC2)C1 1615056997 ORFBFJLUVIEYQG-CQSZACIVSA-N 281.356 0.198 0 50 CCAA CC[C@@H](C)[C@@H](C(=O)N1CCN(C)CC1)n1cnnn1 1615151847 FUGIAPKOGFNFMQ-MNOVXSKESA-N 266.349 0.034 0 50 CCAA Cn1cc(CNC(=O)[C@H]2CNCC23CCCCC3)nn1 1615554059 PWOSDRRPBNJQID-GFCCVEGCSA-N 277.372 0.601 0 50 CCAA C[C@](O)(C(=O)NCc1cccc(S(C)(=O)=O)c1)C1CC1 1615589393 AWYMZFLAIWWTFH-CQSZACIVSA-N 297.376 0.867 0 50 CCAA Cc1nc(CN[C@H]2CC=CC[C@@H]2C(N)=O)n(C)c1C 1616110799 BOTJXSFFCBQZLU-RYUDHWBXSA-N 262.357 0.947 0 50 CCAA CS(=O)(=O)NC1CCN(Cc2cccnc2N)CC1 215835639 CUVNKLYYPYMRDP-UHFFFAOYSA-N 284.385 0.177 0 50 CCAA Cn1ccnc1SCCNC(=O)c1c[nH]c(=O)cn1 215966284 DCUDDJWHUJQADW-UHFFFAOYSA-N 279.325 0.026 0 50 CCAA O=C(O)CCN1CCN(C(=O)CN2CCCCCC2)CC1 1506416132 HZOLRRAEJZFJPZ-UHFFFAOYSA-N 297.399 0.481 0 50 CCAA Nc1nc(NCCc2noc(CO)n2)cc(NC2CC2)n1 1506400807 XWCGGNLAPJUVOO-UHFFFAOYSA-N 291.315 0.163 0 50 CCAA Cc1ccc(C(=O)NC[C@@H](C)O)cc1NS(C)(=O)=O 128333306 BFVKVENUFXVOEO-SECBINFHSA-N 286.353 0.477 0 50 CCAA COC(=O)[C@@H]1CCN(C(=O)NCc2ccncc2)C1 339302767 FPROCYBUVQDTQE-LLVKDONJSA-N 263.297 0.786 0 50 CCAA CC(C)CN1CCC(NCCn2ccnn2)CC1 227993293 UWRLZYYWYHFKRP-UHFFFAOYSA-N 251.378 0.988 0 50 CCAA Cc1nsnc1C(=O)NCc1nnc2n1CCC2 1857689804 YJBBIYOYUBBMOQ-UHFFFAOYSA-N 264.314 0.314 0 50 CCAA Cc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)o1 12340830 JVNHHCCCFVXDAA-UITAMQMPSA-N 275.289 0.269 0 50 CCAA CCCCOC(=S)N[C@H]1CCS(=O)(=O)C1 5107246 GIRGMDBHGDTPQA-QMMMGPOBSA-N 251.373 0.865 0 50 CCAA O=C1C[C@H]2NCC[C@H]2N1CCc1nc(-c2cccnc2)no1 1857692673 ORMRANHKWZFGRF-VXGBXAGGSA-N 299.334 0.637 0 50 CCAA C[C@H]1C(=O)NCCN1C(=O)Cc1cnn2c1CCCC2 630903095 PMLGUXDOMOKTBE-JTQLQIEISA-N 276.340 0.109 0 50 CCAA CC(C)N1CC[C@@H](NC(=O)[C@@H]2CCCN2C2CC2)C1=O 332995792 FZQXVXCJTZOHLE-OLZOCXBDSA-N 279.384 0.739 0 50 CCAA CCc1cccnc1-c1noc([C@H]2CN(C)C(=O)CN2)n1 904607765 ROWUTEIGWTWNHR-SNVBAGLBSA-N 287.323 0.797 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC(N(C)C(C)=O)CC1 1253346653 RXSGCWHISHYYIG-UHFFFAOYSA-N 281.356 0.148 0 50 CCAA O=C(NCc1cocn1)C(F)(F)c1cnccn1 1875332895 PPFIXWPWUUXOQN-UHFFFAOYSA-N 254.196 0.873 0 50 CCAA COC(=O)/C=C/CCNC(=O)COCc1nnc(C)s1 1875314238 OJTMYJSHTPJYNN-HWKANZROSA-N 299.352 0.599 0 50 CCAA Cc1cccn2c(=O)cc(N3CC(=O)N(C)[C@H](C)C3)nc12 1875305266 NVYREAOQTXYXGM-LLVKDONJSA-N 286.335 0.670 0 50 CCAA Cn1cccc1CN1CCC[C@](O)(Cc2nncn2C)C1 886088081 BQIJSLWVFIKFNO-HNNXBMFYSA-N 289.383 0.723 0 50 CCAA Cn1nnc(CNC[C@@H]2CCOc3ccccc32)n1 365945353 LMKUBXNHLWWKAO-JTQLQIEISA-N 259.313 0.866 0 50 CCAA OC[C@H]1CN(c2ncnc3sccc23)CC[C@@H]1O 396813495 SXXAYPISBNRDBN-SCZZXKLOSA-N 265.338 0.871 0 50 CCAA C[C@@H]1CO[C@H](CN(C)C(=O)N=c2nc3n([nH]2)CCCC3)C1 2325790177 WCGNKOFTZJCXTB-QWRGUYRKSA-N 293.371 0.925 0 50 CCAA CN(CC1(C)OCCO1)S(=O)(=O)c1ccccc1N 399140 BOKFQBCWYCCRIG-UHFFFAOYSA-N 286.353 0.652 0 50 CCAA O=C(O)C[C@@H]1C(=O)NCCN1CC1CCCCC1 1926633 AJFRMWAAAYOLHJ-LLVKDONJSA-N 254.330 0.842 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1c[nH]c(=N)s1)C2 2356146701 QSYHASRTUPKKAB-UFBFGSQYSA-N 283.353 0.291 0 50 CCAA O=C1COC2(CCN(c3ncnc4[nH]ccc34)CC2)CN1 2356152271 WLLQCHWXGXPVTQ-UHFFFAOYSA-N 287.323 0.443 0 50 CCAA CCNS(=O)(=O)c1ccc(OC)c(C(=O)NC)c1 6743167 IFXKLZMGMYLREG-UHFFFAOYSA-N 272.326 0.353 0 50 CCAA Cc1n[nH]c(N2CCN(c3ccccc3)CC2)nc1=O 8584681 RRSBVHMJCFEPDV-UHFFFAOYSA-N 271.324 0.800 0 50 CCAA CN(CCS(C)(=O)=O)C(=O)[C@@H]1CCCCCC[C@@H]1N 225487426 HNADMRSETSDLAB-NEPJUHHUSA-N 290.429 0.787 0 50 CCAA CN1CCN(C[C@@H](O)COc2ccccc2F)CC1 20295291 KFWBSDDHURYSQJ-GFCCVEGCSA-N 268.332 0.813 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cnn(C)c1C1CC1 67460345 VZFKWSWMWZSSCY-OLZOCXBDSA-N 291.399 0.335 0 50 CCAA Cc1cccc(N([C@H](C)C(N)=O)S(C)(=O)=O)c1 65361936 FEBBYUYHTXSRDV-SECBINFHSA-N 256.327 0.635 0 50 CCAA CC(C)CN1C[C@H](C(=O)NC[C@@H](C)c2ncon2)CC1=O 1364243765 OLIBQIUIZHMNPO-GHMZBOCLSA-N 294.355 0.794 0 50 CCAA Cn1nnnc1SCCNC(=O)CN1CCCCCC1 65421322 VHBOTTSGPSUKND-UHFFFAOYSA-N 298.416 0.294 0 50 CCAA N=C(O)[C@]1(O)CCCN(CCOCC(F)(F)F)C1 330367096 LKFDRQLKPSTHKX-VIFPVBQESA-N 270.251 0.927 0 50 CCAA O=C(NCCc1nc(=O)o[nH]1)[C@@H]1C[C@H]1c1ccco1 363830865 VBXGSRYPGKPUNU-HTQZYQBOSA-N 263.253 0.418 0 50 CCAA CC(C)(C)[S@](=O)CCNC(=O)C1(C(=O)O)CC1 154886938 PAOYSOGBEBPUDD-KRWDZBQOSA-N 261.343 0.515 0 50 CCAA O=C(O)CN1CCOC[C@H]1C[C@@H](O)c1cccs1 262649059 KUIYRUCZWSZZPW-NXEZZACHSA-N 271.338 0.957 0 50 CCAA O=C(O)c1[nH]ncc1CN1CCC(c2ncn[nH]2)CC1 215515558 ZOKJDUCWDHSTAL-UHFFFAOYSA-N 276.300 0.606 0 50 CCAA CN(C)[C@@H]1C[C@@H](CO)N(Cc2ccccc2C(=O)O)C1 216495155 ZNDUDORPRQTTLY-OLZOCXBDSA-N 278.352 0.882 0 50 CCAA CS(=O)(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 213416270 QNSNIWQIVJPNNJ-VIFPVBQESA-N 260.359 0.327 0 50 CCAA CC(=O)NC1CCN(C(=O)[C@@H](C)Oc2cccnc2)CC1 605089030 WOYPWMSXBWMHHF-LLVKDONJSA-N 291.351 0.976 0 50 CCAA COc1cccc(CN2CCO[C@H](C)[C@H]2C(N)=O)n1 284625248 NJIHQKUVPDEPFC-SKDRFNHKSA-N 265.313 0.165 0 50 CCAA NC(=O)[C@]1(O)CCCN(Cc2ccc(F)cc2)C1 284722685 BVEKEBMEVOQBFB-ZDUSSCGKSA-N 252.289 0.638 0 50 CCAA Cc1cccc(CNC(=O)CN2C[C@@H](C)[C@H](C(N)=O)C2)c1 286366734 YMFVIINSUYHFJJ-TZMCWYRMSA-N 289.379 0.664 0 50 CCAA CC(C)C[C@@H](CC(=O)O)NC(=O)c1cncc(=O)[nH]1 426424432 YOFXNQATCGPNKD-QMMMGPOBSA-N 267.285 0.389 0 50 CCAA O=C(NCCc1cn[nH]c1)N[C@H]1CC12CCNCC2 612985475 CXZISPWASYTOPS-NSHDSACASA-N 263.345 0.394 0 50 CCAA Cc1nc(CNC(=O)[C@@H]2COc3ccccc3C2)cc(=O)[nH]1 95530366 TYPMCVWRELQDPH-LBPRGKRZSA-N 299.330 0.946 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1c[nH]c2cccnc12 622003835 GKBPNBQJHWIAIN-PSASIEDQSA-N 272.308 0.960 0 50 CCAA Cc1noc(C)c1[C@@H](C)C(=O)N1CCOC[C@H]1C(=O)O 299752990 WIYUDGWEZFXJFP-XCBNKYQSSA-N 282.296 0.707 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](O)[C@H](O)C[C@H]2C1 261361185 YCYQIUUXRYFEQD-XWLWVQCSSA-N 257.330 0.985 0 50 CCAA Cc1cnccc1CNC(=O)[C@@H](C)N1CCN(C)CC1 275213454 LGHCDUHPILZLLX-CYBMUJFWSA-N 276.384 0.642 0 50 CCAA CC1=NO[C@](C)(C(=O)NCCCN2CCC(O)CC2)C1 828631057 OAMSLYLJWOAFDP-AWEZNQCLSA-N 283.372 0.504 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)c2ccc(O)cn2)C1 584894912 YDXJFBMTAQKMBW-NSHDSACASA-N 279.340 0.437 0 50 CCAA COCC[C@@H]1CN(C(=O)C2(Cn3ccnc3)CC2)CCO1 584889228 ITRLICZLSCPPIY-CYBMUJFWSA-N 293.367 0.927 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)Cc2ccccn2)C1 584901326 KHPAHZVXLPAAOX-LLVKDONJSA-N 261.325 0.609 0 50 CCAA O=C(CCN1CCOCC1)N1CCN(CC2CCC2)CC1 584901760 OEZJAEWQTQEKOH-UHFFFAOYSA-N 295.427 0.653 0 50 CCAA O=c1c2ncccc2ncn1CCSc1cnn[nH]1 584897453 RZLNRJBRHSDRLS-UHFFFAOYSA-N 274.309 0.702 0 50 CCAA COCC[C@@H]1CN(CCn2cnnc2C)CCO1 670461300 UUNPKCOEXBFWBZ-GFCCVEGCSA-N 254.334 0.324 0 50 CCAA CSC[C@@H](C)NCCN1CCN(c2ncccn2)CC1 670434595 PPNITQQXMRMQDD-CYBMUJFWSA-N 295.456 0.940 0 50 CCAA Cn1ccc(CN[C@H]2COC[C@H]2Oc2cn[nH]c2)c1 685941241 VNASCAGMYVYDTI-QWHCGFSZSA-N 262.313 0.684 0 50 CCAA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)c1ncc(F)cn1 1551463134 XLDCVXRWMAMFOP-NXEZZACHSA-N 278.291 0.743 0 50 CCAA Cc1nc(O)[nH]c1C(=O)N1CCNC(=O)[C@@H]1CC(C)C 408522248 GBOWNMWPLAVAHZ-VIFPVBQESA-N 280.328 0.410 0 50 CCAA C=CC(=O)NCCNC(=O)[C@H]1CC12CCSCC2 1585032942 NVWABDYYKIWFFR-SNVBAGLBSA-N 268.382 0.938 0 50 CCAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1nccnc1N 275817807 YLGWSTKPMUJPPL-MWLCHTKSSA-N 264.329 0.850 0 50 CCAA O=C(Cc1c(F)cccc1F)N1CC[C@@H](CO)[C@@H](O)C1 192622687 KHUBEVNVESSPDJ-ZANVPECISA-N 285.290 0.709 0 50 CCAA C[C@@H](C(=O)Nc1ccn(CC(=O)O)n1)C1CCOCC1 192879129 FSLPYKFBEPLXPW-SECBINFHSA-N 281.312 0.969 0 50 CCAA C[C@H](C(=O)N1CCOC[C@@H]1C(=O)O)N1CCCCCC1 663025607 BLADNUZVZMHHFX-VXGBXAGGSA-N 284.356 0.563 0 50 CCAA CCN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 95483519 SNGYJUXCRUQVNF-UHFFFAOYSA-N 278.381 0.894 0 50 CCAA Cn1nnc(CN=c2[nH]c(Cl)nc3[nH]ccc23)n1 1875272184 VYKTWBFKIXGSGO-UHFFFAOYSA-N 264.680 0.169 0 50 CCAA CCc1c(C)nn(C)c1NC(=O)CCn1nnnc1C 1506421664 KQQDEEYQKBPYDS-UHFFFAOYSA-N 277.332 0.615 0 50 CCAA Cc1cnc(C(=O)NC2(CO)CCOCC2)cn1 226802160 UYTAFJFBZGARAN-UHFFFAOYSA-N 251.286 0.056 0 50 CCAA CN(C)c1nc(NCCc2ncnn2C)ncc1F 1704308379 PLDOQQYXBAXULN-UHFFFAOYSA-N 265.296 0.465 0 50 CCAA Cc1cc(C)c(S(=O)(=O)N[C@H]2CNC[C@@H]2O)c(C)c1 700006241 QGDDKMPUCZXUOK-RYUDHWBXSA-N 284.381 0.223 0 50 CCAA CC(=O)NCC1CCN(CC[C@H]2COCCO2)CC1 1775982804 DUILBPMWJUSCSE-AWEZNQCLSA-N 270.373 0.640 0 50 CCAA O=C1CCCN1CCC(=O)N1CCC[C@H](C2(O)CC2)C1 1772809808 FAVFHPLYQHFQKH-LBPRGKRZSA-N 280.368 0.762 0 50 CCAA O=c1[nH]c2ccc(S(=O)(=O)N3CCCC3)cc2[nH]1 18085969 KUEZVOJXJLEZFI-UHFFFAOYSA-N 267.310 0.641 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N1CC(c2ccccn2)C1 1857692748 SALKZJUOZRULAY-UHFFFAOYSA-N 272.308 0.987 0 50 CCAA Cc1ccc2nc[nH]c(=NCCN(C)S(C)(=O)=O)c2n1 1857697841 ONTCHCKMTLDPQS-UHFFFAOYSA-N 295.368 0.058 0 50 CCAA Cc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1 20707440 RGJWPBRQLITFBG-HNNXBMFYSA-N 294.395 0.345 0 50 CCAA CC(C)[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)O 262354520 BRQLLTXCIYJHHA-SNVBAGLBSA-N 287.341 0.217 0 50 CCAA CN1CCCC[C@H](C(=O)NCCc2ccccn2)C1=O 585122026 KWDCJJRKBMDSNL-CYBMUJFWSA-N 275.352 0.999 0 50 CCAA O=C(O)[C@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1 262915350 DHHDNOPRYDBHSF-CYBMUJFWSA-N 291.303 0.476 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc(O)ccc1F)C2 1704312652 HCULPGAVHFBXAU-QWRGUYRKSA-N 294.326 0.934 0 50 CCAA CCc1onc(C)c1Cn1cnc2c(nnn2C)c1=O 917828376 DGBSTQSZRRPMKO-UHFFFAOYSA-N 274.284 0.432 0 50 CCAA COc1cccc(CN2CC(=O)NCC23COC3)c1C 931622745 QUNZTNIJYBMLPR-UHFFFAOYSA-N 276.336 0.704 0 50 CCAA O=C1NC[C@@H](C(=O)Nc2ccccc2N2CCOCC2)N1 1875253280 SIMDDYOUBMXTOE-NSHDSACASA-N 290.323 0.143 0 50 CCAA O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@H]2O)c1cc(O)cc(=O)o1 1875311998 QQLDQWARWFTXBL-GCZLSLAPSA-N 279.292 0.625 0 50 CCAA CCO[C@H]1C[C@@](O)(CNC(=O)/C=C/CN(C)C)C1(C)C 1875376093 ZJZZZOUZQWYZGZ-RMRLKUHTSA-N 284.400 0.787 0 50 CCAA Cc1noc(-c2cn(CC(=O)N3CCCC3)cn2)n1 1875324240 NTQLQSSAFPOONZ-UHFFFAOYSA-N 261.285 0.864 0 50 CCAA Cc1noc(C[C@@]2(O)CCCN(Cc3c[nH]nc3C)C2)n1 888076984 BCJWMBIIXQRSJT-AWEZNQCLSA-N 291.355 0.979 0 50 CCAA Cc1cnc2c(cnn2CC(=O)N2CCC(O)CC2)c1 891703138 RGQZNEIDHNJVSB-UHFFFAOYSA-N 274.324 0.723 0 50 CCAA CCCN1C[C@@H](CNC(=O)N2C[C@H](O)C3(CC3)C2)CC1=O 1775993263 XXCOAEFSMVSRKE-NEPJUHHUSA-N 295.383 0.411 0 50 CCAA COc1cc(C)nc(N2N=C([C@H](C)OC)CC2=O)n1 899351349 HKUIZFCZJVEAOE-QMMMGPOBSA-N 264.285 0.921 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(C(=O)CCc3ccncc3)C[C@H]21 299794337 IVVHVYZZZTYEGM-PJXYFTJBSA-N 260.293 0.803 0 50 CCAA CCN1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 100060710 VJYPVBPDHWHTOV-AWEZNQCLSA-N 287.363 0.956 0 50 CCAA N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nn1cnnc1 71721703 LZUAIRMOCGRWPO-LLVKDONJSA-N 270.296 0.400 0 50 CCAA COC(=O)[C@@H]1CCCN1C[C@@H]1CCS(=O)(=O)C1 408399876 LYTTUSDCLSBOKZ-UWVGGRQHSA-N 261.343 0.059 0 50 CCAA O=C(NCCN1CCc2ccccc21)[C@@H]1C=CCN1 534676885 NQUMYKARZFABHZ-ZDUSSCGKSA-N 257.337 0.693 0 50 CCAA CC(C)(O)[C@@H]1CCN(S(=O)(=O)c2cn[nH]c2)C1 721803473 JERHCWVBMSPXAX-MRVPVSSYSA-N 259.331 0.191 0 50 CCAA Cn1c(C(=O)NCCc2ccccc2)cc(=O)n(C)c1=O 1425237 YWCLYUKFMPBKKF-UHFFFAOYSA-N 287.319 0.057 0 50 CCAA CC(C)(C)c1nsc(NC(=O)N[C@@H]2CNOC2)n1 926015555 IXNVTEMQWAZQQW-ZCFIWIBFSA-N 271.346 0.861 0 50 CCAA NCCc1nc(NCCCc2nnn[nH]2)c2ccccc2n1 65406912 DYPLTKHOJLDFND-UHFFFAOYSA-N 298.354 0.689 0 50 CCAA CCCc1cc(N2CCN(C)[C@H](C(=O)O)C2)nc(C)n1 67880459 XIXMWRJCTMOMHG-LBPRGKRZSA-N 278.356 0.943 0 50 CCAA CC(C)C[C@@H](N)C(=O)N(C)CC1(CO)CCOCC1 71755301 BRPWAVRLRLBSIP-GFCCVEGCSA-N 272.389 0.607 0 50 CCAA CN(Cc1noc2c1CCCC2)C(=O)c1cn[nH]n1 72165386 DVILLKJDWBUVDF-UHFFFAOYSA-N 261.285 0.944 0 50 CCAA CN1C[C@H]2CN(C(=O)CCC(=O)c3cnn(C)c3)C[C@H]2C1 253429730 UCMLVQGMSMUJSI-BETUJISGSA-N 290.367 0.403 0 50 CCAA CC(=O)N1CC[C@](C)(C(=O)NCc2cc(C)no2)C1 365616953 DGYFSWFYNRWHEQ-ZDUSSCGKSA-N 265.313 0.858 0 50 CCAA CCN1CCO[C@@H](C(=O)N2CCCC[C@@H]2CN)C1 236897782 YYLOIHDFBXUYLH-VXGBXAGGSA-N 255.362 0.047 0 50 CCAA Cc1cnccc1N1CCO[C@H](CN(C)CC(N)=O)C1 367163488 COLIMBFOQFCMBQ-GFCCVEGCSA-N 278.356 0.012 0 50 CCAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCN)C[C@@H](C)O1 237509717 GWECDHHUUJRMAP-JHJVBQTASA-N 269.389 0.435 0 50 CCAA O=C(O)CNC(=O)CN1CCC[C@@H](Oc2ccccc2)C1 367980316 DMOBNDYHOFOMFN-CYBMUJFWSA-N 292.335 0.731 0 50 CCAA O=C(N1CCN2CCOC[C@@H]2C1)C(F)(F)C1(O)CCC1 368218333 FQOKYMONDCODOC-JTQLQIEISA-N 290.310 0.080 0 50 CCAA COCC[C@H]1COCCN1C(=O)C1CCC(O)CC1 368289511 YUZRIOXHEVOPTG-CPCZMJQVSA-N 271.357 0.801 0 50 CCAA CC(C)Cc1cc(C(=O)NC[C@@]2(O)CCNC2)on1 72174302 AEFCTRFTEKUWGE-CYBMUJFWSA-N 267.329 0.327 0 50 CCAA CCc1nccn1CCC(=O)N1CC[C@H](CO)[C@H](O)C1 72166893 ZVSZHBANHXFIPT-VXGBXAGGSA-N 281.356 0.037 0 50 CCAA C[C@@H](C(=O)N1CCOCC1)N1CCC[C@@H](c2ccn[nH]2)C1 229219763 XCFDXHXMGGWXBL-QWHCGFSZSA-N 292.383 0.836 0 50 CCAA O=C(Nc1ccc(Cl)cn1)N1CCS(=O)(=O)CC1 175861988 YPHHXIUGOCASMZ-UHFFFAOYSA-N 289.744 0.997 0 50 CCAA COC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C 44560085 KRWPOGQDZNCNLK-HTQZYQBOSA-N 274.317 0.577 0 50 CCAA CCn1ccnc1C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 291587881 HCQAGINSXAKASK-NWDGAFQWSA-N 278.356 0.448 0 50 CCAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1)c1cnc[nH]1 222942615 LTGUGSLMKCQCGU-YXCITZCRSA-N 290.367 0.781 0 50 CCAA Cc1cc(C)n([C@H]2CCN(C(=O)Cc3nc(O)n[nH]3)C2)n1 426428291 SGACCLUHTLNCQQ-JTQLQIEISA-N 290.327 0.340 0 50 CCAA CN(Cc1n[nH]c2c1CCC2)C(=O)NCCCC(=O)O 426412291 NCXKXTDHMCYRGC-UHFFFAOYSA-N 280.328 0.905 0 50 CCAA O=C(Cc1nc(O)n[nH]1)N[C@H]1CCc2ccccc21 426584928 WAEMMDJQIPXGDW-JTQLQIEISA-N 258.281 0.857 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3C4C5[C@@]6(CCC[C@]516)[C@@H]2[C@@H]43 248021151 HZYORRWLOHIHCH-LEHOLSQPSA-N 257.293 0.120 0 50 CCAA C[C@@H]1CC[C@H](CCC(=O)N2CCOC[C@H]2C(=O)O)O1 299753265 XNYGHQIEDDPLFG-MXWKQRLJSA-N 271.313 0.646 0 50 CCAA Oc1cc(CN2CCC[C@@]3(CCNC3)C2)nc(O)n1 534636304 HQRMILQCMMRAQD-ZDUSSCGKSA-N 264.329 0.463 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(c3cc([C@@H]4CCOC4)ncn3)C[C@H]21 299791665 HJDMRRUDAPDPKZ-DNJQJEMRSA-N 275.308 0.747 0 50 CCAA CCc1ncnc(N2CC[C@](C)(O)[C@@H](O)C2)c1F 96132336 MGYGDMBTJBOFQO-CABZTGNLSA-N 255.293 0.500 0 50 CCAA Cn1ccnc1CCNc1cc([C@H]2CCOC2)nc(N)n1 299788814 XTZODSDZFLORHT-JTQLQIEISA-N 288.355 0.951 0 50 CCAA CCN1CCNC(=O)[C@@H]1CC(=O)NCCc1nccs1 299786971 OJKWEOCUGOPJOP-JTQLQIEISA-N 296.396 0.012 0 50 CCAA COCCn1cnnc1CNC(=O)[C@H]1CCCCCN1C 670469944 JHWXPBZDWXJKHZ-GFCCVEGCSA-N 295.387 0.415 0 50 CCAA CN(CC[C@H]1CCCCO1)S(=O)(=O)c1cn[nH]c1 952872820 DFXGXYNTUVACJK-SNVBAGLBSA-N 273.358 0.989 0 50 CCAA C[C@H](C(N)=O)N1CCC(CNC(=O)c2ccco2)CC1 952978617 REEUXSJKRHSNMJ-SNVBAGLBSA-N 279.340 0.595 0 50 CCAA CC(C)(O)C(C)(C)NC(=O)[C@@H]1CCS(=O)(=O)C1 221145189 XJUVYGBUSNUQLF-MRVPVSSYSA-N 263.359 0.087 0 50 CCAA CCC[C@@]1(C)C(=O)NCCN1Cc1ccn(C)n1 275402084 IXNFKUJCHCCUKD-ZDUSSCGKSA-N 250.346 0.911 0 50 CCAA CS(=O)(=O)NCC(=O)N1CC[C@H]1c1ccc(F)cc1 1857693277 PNHDYEHOQUFFSR-NSHDSACASA-N 286.328 0.648 0 50 CCAA N=c1[nH]c(CCNC(=O)c2ccns2)cs1 1857702350 JWEFRBVQYGEUMD-UHFFFAOYSA-N 254.340 0.985 0 50 CCAA Cc1cc(NC(=O)[C@H]2CCCO[C@H]2C)nc(=O)[nH]1 191942465 FMXUCZRZSOEWND-IUCAKERBSA-N 251.286 0.832 0 50 CCAA CCn1cc(CN(C)S(=O)(=O)N(C)C)c(C)n1 716375232 YWSOYVOKGNKZQQ-UHFFFAOYSA-N 260.363 0.450 0 50 CCAA CN(C)C(=O)[C@@H]1COCCN1C(=O)c1ccncc1 1875290163 BOLVLYOANCZYPK-NSHDSACASA-N 263.297 0.011 0 50 CCAA CCN(CCn1cccn1)C(=O)NCCC(=O)O 1506412568 ZOEQKQCIMKQRAB-UHFFFAOYSA-N 254.290 0.389 0 50 CCAA O=C(O)c1ccc(NCCCN2CCC[C@@H](O)C2)nn1 1506423260 GRMOJNFZISXQGB-SNVBAGLBSA-N 280.328 0.434 0 50 CCAA CCNC(=O)c1cn2c(n1)CCN(C(C)=O)CC2 1875245475 BEPONXHXRQWNKR-UHFFFAOYSA-N 250.302 0.037 0 50 CCAA CC1(C)[C@]2(C(=O)NO[C@@H]3CCOC3)CC[C@@]1(C)C(=O)O2 1875268582 ZPFYCEAZNIYPFI-BIGNPOOSSA-N 283.324 0.945 0 50 CCAA Cn1cccc1CN1CCC[C@](O)(CC(N)=O)C1 643745916 ZLEUWONNZOLIJB-ZDUSSCGKSA-N 251.330 0.227 0 50 CCAA CCCCS(=O)(=O)N[C@@H]1CCC(=O)NC12CCC2 374743520 JRUHXLRZYFXZKF-SNVBAGLBSA-N 274.386 0.907 0 50 CCAA CNc1nc(N2CCOC3(CCN(C)CC3)C2)ncc1F 1550721186 ZEUTUHROVNEQIG-UHFFFAOYSA-N 295.362 0.958 0 50 CCAA COC(=O)CSc1nc2nc3c(cn2n1)C(=O)CCC3 2199797 BVINRYCGSVQKGE-UHFFFAOYSA-N 292.320 0.908 0 50 CCAA CN(C)c1nc(N2CCN3C(=O)OC[C@@H]3C2)ncc1F 1772709549 KXRHNLAVWBPHOX-QMMMGPOBSA-N 281.291 0.323 0 50 CCAA CC(C)N1CC[C@H](N2C[C@H]3[C@H](C2)C3(CO)CO)C1 1772804304 LQCYADXDEPOGOF-AVGNSLFASA-N 254.374 0.002 0 50 CCAA CCOC(=O)Cc1nnc(NC(=O)c2nc[nH]n2)s1 18177667 IXSXXZUTUOUROO-UHFFFAOYSA-N 282.285 0.014 0 50 CCAA COc1ccc(S(=O)(=O)NCCCO)cc1C 19780808 IMCOQEMQWMYJNE-UHFFFAOYSA-N 259.327 0.664 0 50 CCAA C[C@H](CNC(=O)c1ccc2c(c1)OCO2)n1cncn1 4988371 HCSKIYOMGDVMCL-SECBINFHSA-N 274.280 0.998 0 50 CCAA Cc1nc(O)cc(CNC(=O)[C@]2(C)CC23CCNCC3)n1 1857681515 LZXWEJKVWLJBKV-AWEZNQCLSA-N 290.367 0.887 0 50 CCAA Cc1nc(CC(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cs1 1857706407 PVSGXRPWESKVRX-KGYLQXTDSA-N 296.392 0.992 0 50 CCAA CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)COC)n1 408515231 LBARUQCXSAOUHY-VIFPVBQESA-N 298.343 0.831 0 50 CCAA CC(C)(CO)N1CCN([C@@H](C(=O)O)C2CC2)CC1 635018008 XVTCLTSHHMSRGP-LLVKDONJSA-N 256.346 0.238 0 50 CCAA CCOC(=O)c1cnn(C[C@H]2C[C@@H](N)[C@H](O)C2)c1 1857778101 CWZUPZJTQXVYQX-JMJZKYOTSA-N 253.302 0.158 0 50 CCAA O=C(Cn1ncc2ccccc21)NO[C@H]1CCOC1 1875259150 UKJIOJGVYJAQPW-NSHDSACASA-N 261.281 0.873 0 50 CCAA Oc1nc(O)c2c(n1)CN(CC[C@@H]1COCCO1)C2 1875299478 MKVIAJFCLSXJIX-MRVPVSSYSA-N 267.285 0.009 0 50 CCAA C[C@@H]1CCN(S(=O)(=O)c2n[nH]c3ncccc23)C1 1875289789 OQKCWXTUMRCBKE-MRVPVSSYSA-N 266.326 0.988 0 50 CCAA C[C@H](C(=O)Nc1ccc(Cl)cn1)N1C[C@@H](N)[C@H](N)C1 1875323302 DMVBNJZDKVGVGK-SZEHBUNVSA-N 283.763 0.032 0 50 CCAA OCc1cc(-n2cc(CN3CCC(O)CC3)nn2)ccn1 899718994 NATFHSYQALGXMV-UHFFFAOYSA-N 289.339 0.111 0 50 CCAA O=C1CC2(CCN(C(=O)c3cncc(O)c3)CC2)N1 1324460447 YUAXIHQDPXAFTP-UHFFFAOYSA-N 261.281 0.282 0 50 CCAA O=C(N[C@H]1CCCC2(C1)OCCO2)c1cc[nH]n1 253426589 UDCRTPRGIBRNLB-VIFPVBQESA-N 251.286 0.825 0 50 CCAA CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCn1cccn1 183183310 MYWIQVSEUCGPSB-NWDGAFQWSA-N 271.386 0.829 0 50 CCAA CNc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)O)O2)cn1 328018710 RVEPCNNIWDTEJT-BDAKNGLRSA-N 265.269 0.694 0 50 CCAA Cc1nc([C@H](C)NS(=O)(=O)c2c(C)n[nH]c2C)n[nH]1 392668259 ZEQSHFBDRPPXCF-ZETCQYMHSA-N 284.345 0.493 0 50 CCAA O=C1CC[C@@H](Nc2cc(C(F)F)ncn2)C(=O)N1 724648456 PCPGLKSKXXYGJN-RXMQYKEDSA-N 256.212 0.631 0 50 CCAA Cn1c(O)nnc1C1CN(C(=O)Nc2nccs2)C1 2325789334 KMABAWUTSRUJQJ-UHFFFAOYSA-N 280.313 0.609 0 50 CCAA COCC[C@H]1COCCN1Cc1nnc2cccnn12 2325803726 YDWRHMHHZMABMA-NSHDSACASA-N 277.328 0.362 0 50 CCAA C[C@@H](O)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 236725 YHRUVVJCYRHQGX-ZCFIWIBFSA-N 263.702 0.526 0 50 CCAA CC(C)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)O 2556550 YXXMEXYAHMBYIU-VIFPVBQESA-N 274.317 0.737 0 50 CCAA O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc(F)cc1 2860503 NVCSDUCAYCKZLF-QMMMGPOBSA-N 251.217 0.362 0 50 CCAA CCOC(=O)CSC(=S)C(=O)N1CCOCC1 3080813 CPHKZRPPFWSWGF-UHFFFAOYSA-N 277.367 0.469 0 50 CCAA O=C(NC[C@@H](O)c1cccc(O)n1)c1n[nH]c2c1CCC2 2356139722 IVWBNUZHDOMXPP-LLVKDONJSA-N 288.307 0.462 0 50 CCAA CC1(C)C(=O)NC(=O)N1Cc1noc(-c2cnsn2)n1 225606709 RFZGPYYRXGJJLA-UHFFFAOYSA-N 294.296 0.419 0 50 CCAA Cc1ncnc2c1ncn2-c1cncc(C(N)=O)c1 65509131 RQSADVLKNSXUOM-UHFFFAOYSA-N 254.253 0.618 0 50 CCAA C[C@@H]1C[C@@H](N2CCN(C[C@@H](O)C(C)(C)C)CC2)C(=O)O1 229458394 FQAKGBKNALVEGV-JHJVBQTASA-N 284.400 0.715 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cn[nH]c1 215439103 WDTXUQBBQYCJRO-QWRGUYRKSA-N 252.318 0.247 0 50 CCAA C=CC(=O)N(C)C[C@H](O)COCc1ccc2c(c1)OCO2 328597453 HMFHJFXVQLCHRK-LBPRGKRZSA-N 293.319 0.937 0 50 CCAA CO[C@@H](C)CC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328637341 VWRXKUOUKIBRKY-WDEREUQCSA-N 266.345 0.650 0 50 CCAA CC(=O)N[C@H](C)C(=O)N1CCN(CC2CCOCC2)CC1 172463774 OKDIJQWQMSTMQO-GFCCVEGCSA-N 297.399 0.082 0 50 CCAA Cc1cc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)n[nH]1 363538744 BATMTLGCEDUJPH-ZDUSSCGKSA-N 291.399 0.570 0 50 CCAA Cn1cccc1C(=O)C(=O)NCCCn1ccccc1=O 215226853 FKNBOCGHUHSMQK-UHFFFAOYSA-N 287.319 0.576 0 50 CCAA CC(C)(C)n1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)cn1 236762676 JBLOBRZVHIAQGV-LLVKDONJSA-N 295.339 0.954 0 50 CCAA CC(C)(O)CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C 174833185 YRQPJUCTFDIBQZ-SECBINFHSA-N 288.413 0.821 0 50 CCAA CNC(=O)[C@H]1CN(C(=O)c2c(C(C)C)n[nH]c2C)CCO1 368066106 XJMSPEWAJODCSR-SNVBAGLBSA-N 294.355 0.429 0 50 CCAA CCn1nccc1S(=O)(=O)N[C@H](C(=O)O)C(C)C 262477640 VFZBRFOOMIURRW-VIFPVBQESA-N 275.330 0.291 0 50 CCAA O=C(O)Cn1cnc2c(N3CCOCC3)nc(Cl)nc21 72324008 LYVQSQNXZQEXLT-UHFFFAOYSA-N 297.702 0.401 0 50 CCAA CN1C[C@@H](C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1=O 132591754 AWIPGRDIZUECFQ-CMPLNLGQSA-N 292.339 0.479 0 50 CCAA COCc1cccc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1 286799202 KFKDHJLXTAWUJX-NEPJUHHUSA-N 280.299 0.871 0 50 CCAA CC[C@](C)(O)CNC(=O)C(=O)Nc1nc(C)cs1 176049856 NQSHSYJKMGPUMR-NSHDSACASA-N 271.342 0.667 0 50 CCAA Cc1nonc1CC(=O)N[C@H](CC(=O)O)C(C)C 426502851 GQPWDBJMBHPBAG-MRVPVSSYSA-N 255.274 0.536 0 50 CCAA Cc1nc(CN2CC[C@]3(CCCN(CCO)C3=O)C2)no1 91966615 KCLWZUOLHCKWAS-CQSZACIVSA-N 294.355 0.185 0 50 CCAA Cc1nc2ccccc2n(CCn2cnnc2)c1=O 95376630 CRPNTKZPXWISCK-UHFFFAOYSA-N 255.281 0.997 0 50 CCAA CNCCCCNC(=O)c1cc(C)c(C)n(C)c1=O 97772775 TVNIUGKSEKNDRD-UHFFFAOYSA-N 265.357 0.732 0 50 CCAA Cc1cncnc1C1CCN(C(=O)Cn2ccnn2)CC1 426612658 UZIKLEJIRBXMPA-UHFFFAOYSA-N 286.339 0.783 0 50 CCAA O=C1c2n[nH]c(=O)n2CCN1Cc1cccc(F)c1 96511706 IENZMAUYDVMKRK-UHFFFAOYSA-N 262.244 0.367 0 50 CCAA O=C(CCCn1cnnn1)Nc1ccc(-c2nc[nH]n2)cc1 524733384 MZSKQFSESJLCCM-UHFFFAOYSA-N 298.310 0.877 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H](N)c2ccccc2)CC1=O 299741962 AMRICLINZFDWLY-HTUGSXCWSA-N 287.363 0.812 0 50 CCAA Cc1ccn2c(C(=O)N3C[C@@H]4CC[C@H](C3)[C@H]4N)nnc2n1 534592170 GUNYJACPHHIYFW-JGPRNRPPSA-N 286.339 0.242 0 50 CCAA NCC[C@H]1CN(C(=O)Nc2ccc3[nH]nnc3c2)CCO1 299761432 RJPICCRHFNFSGJ-JTQLQIEISA-N 290.327 0.539 0 50 CCAA CS(=O)(=O)CC(=O)NCCCC[C@H]1CCCO1 584900189 KQMMKJDZYWZZMS-JTQLQIEISA-N 263.359 0.497 0 50 CCAA O=C(N[C@H]1COC[C@@H]1O)c1cccc(-c2cn[nH]c2)c1 584897440 NXWMXMUAWFGUEJ-STQMWFEESA-N 273.292 0.566 0 50 CCAA CCN(C)S(=O)(=O)N(C)CC1(CO)CCC1 670446627 VGRCZTCGISCBPD-UHFFFAOYSA-N 250.364 0.277 0 50 CCAA CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)O)C1=O 685939241 GHXRIUWJKLBDEB-MRVPVSSYSA-N 257.286 0.651 0 50 CCAA COCCN1CC[C@@H](CNCc2cnc(C)nc2)C1 952979990 SXQOVJIIGHREJM-ZDUSSCGKSA-N 264.373 0.843 0 50 CCAA Cc1ccn(CCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N(C)C)n1 1565526191 JULZJKIRSSNMBN-ATGSNQNLSA-N 292.383 0.415 0 50 CCAA COc1nccc(NC(=O)NC[C@@H]2CCCO2)n1 276539819 OPGSANMTRQKQFG-QMMMGPOBSA-N 252.274 0.786 0 50 CCAA C[C@H]1c2nncn2CCN1C(=O)c1cnn2cccnc12 276722736 CPDGNKHDWCXPJU-VIFPVBQESA-N 283.295 0.538 0 50 CCAA Cc1noc2ncn(Cc3ncnn3C(C)C)c(=O)c12 631018319 QFLIVVLNTXQGED-UHFFFAOYSA-N 274.284 0.914 0 50 CCAA COC[C@H]1CN(c2nc(C)nc(N)n2)C[C@@H](C)O1 631233824 MTOPZAIBVOKWGD-VXNVDRBHSA-N 253.306 0.002 0 50 CCAA CN1CCCC[C@H](C(=O)N2CC(OC(F)F)C2)C1=O 635830448 ODSPCUORFFOBOV-VIFPVBQESA-N 276.283 0.695 0 50 CCAA Cn1cncc1CCN[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 643960059 MZSOJUYGKLRBQA-ZNMIVQPWSA-N 278.400 0.540 0 50 CCAA CCc1cnc(CNC(=O)CN2CCCC[C@@H](O)C2=O)o1 644436295 ZPJDSGPLNAEUQQ-LLVKDONJSA-N 295.339 0.227 0 50 CCAA O=C1CNCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 585086691 HDYXNFAAJRZOKY-SECBINFHSA-N 293.289 0.219 0 50 CCAA Cn1nncc1NC(=O)N1C[C@H](N)C2(CCC2)C1 1615059263 YKLQIEIOYZIDAH-QMMMGPOBSA-N 250.306 0.160 0 50 CCAA CCc1cc(CC(=O)N[C@@H]2CCNC23CCC3)n(C)n1 1615548792 TULKOBPTJOAERA-CYBMUJFWSA-N 276.384 0.926 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(C)o1 1506429225 RPPINZAWCLLVAP-SECBINFHSA-N 298.368 0.597 0 50 CCAA O=C(CCC(F)(F)F)N1CC(N2CCOCC2)C1 911647409 BQXBJGFECCWRON-UHFFFAOYSA-N 266.263 0.872 0 50 CCAA COCCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529151906 GZVYWBDFTBNJMM-UKRRQHHQSA-N 279.336 0.984 0 50 CCAA Cc1ccsc1C(=O)N1CC[C@H](C(=O)O)[C@H](O)C1 1704299728 RNRRANDIORVYRJ-DTWKUNHWSA-N 269.322 0.964 0 50 CCAA CCc1ccc(N(CC(=O)NC)S(C)(=O)=O)cc1 468733 LUORUFWQMTWYON-UHFFFAOYSA-N 270.354 0.761 0 50 CCAA CCCN1CCN(C[C@@H]2CCC(=O)N(C)C2)CC1=O 1775980289 XMFFVZAOPUDHLT-GFCCVEGCSA-N 267.373 0.409 0 50 CCAA COC(=O)C1=CC(c2ccccc2)=NS(=O)(=O)N1C 12848707 PSYCKFIPCZDLLH-UHFFFAOYSA-N 280.305 0.723 0 50 CCAA O=C1N=C(S)NC(=O)[C@@H]1C(=O)Nc1ccccc1 3874204 JARCFMKMOFFIGZ-UHFFFAOYSA-N 263.278 0.184 0 50 CCAA investigational C[C@H](O)c1nc(-c2cccnc2N(C)C)n(CCCO)n1 1857675476 ZFPSNCUDVMHOLB-JTQLQIEISA-N 291.355 0.842 0 50 CCAA CC(C)(C)c1cc(CNC(=O)[C@H]2C[C@H](N)[C@@H](O)C2)[nH]n1 1857721066 XYPIDRJGGFFJSY-LSJOCFKGSA-N 280.372 0.422 0 50 CCAA COc1cc(NC(=S)NN)cc(OC)c1OC 2528168 XNRLYRGZEKWEMJ-UHFFFAOYSA-N 257.315 0.873 0 50 CCAA in-vitro Cc1cn(CC(=O)NC(C)(CO)CO)c2ccccc12 120551337 JFGWSRWWWBLAKP-UHFFFAOYSA-N 276.336 0.809 0 50 CCAA COc1ccc(CNC(=O)[C@@H]2C[C@H](OC)CN2C)cn1 330518697 GREYPRFYGUNEEU-RYUDHWBXSA-N 279.340 0.426 0 50 CCAA N=C(O)c1cccc(CNC(=O)N2CCNC(=O)CC2)c1 332395100 YCOLOIYPTVJSBY-UHFFFAOYSA-N 290.323 0.601 0 50 CCAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)NCCCC(=O)N(C)C)C1 263386711 YDWBQSRHGPZJFM-MNOVXSKESA-N 299.371 0.607 0 50 CCAA C[C@](O)(CN1CCN(C(=O)C(=O)O)CC1)c1ccccc1 396766833 PNVQRPKCDWWKBP-HNNXBMFYSA-N 292.335 0.123 0 50 CCAA N[C@@H]1C[C@H](C(=O)Nc2cnc3[nH]ncc3c2)[C@H]2C[C@H]21 1122635476 AKIJRZRBAZKGEC-ZRUFSTJUSA-N 257.297 0.880 0 50 CCAA O=C(NOCc1cccnc1)[C@@H]1CO[C@@H]2COC[C@H]21 1875293522 SWPQRTDKZDJIEW-QJPTWQEYSA-N 264.281 0.291 0 50 CCAA Cn1nccc1C(=O)NCCc1cnn(-c2ccccc2)n1 1875316382 MPQNUVWIQCWGRL-UHFFFAOYSA-N 296.334 0.973 0 50 CCAA N=c1[nH]cc(CNCc2cc(O)ccc2Cl)c(=N)[nH]1 1875341632 AKHWYWONJKZMGT-UHFFFAOYSA-N 279.731 0.951 0 50 CCAA Cc1nc2nccc(NCc3cc(C(=O)O)n[nH]3)n2n1 1875333509 YPSZRJCNPHQMSQ-UHFFFAOYSA-N 273.256 0.466 0 50 CCAA CN1CCC(NC(=O)[C@H](c2cncn2C)N(C)C)CC1 1776002241 WCTNVDJDELQKEX-ZDUSSCGKSA-N 279.388 0.233 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@@H]1C(=O)O 159906551 NNHISXLDTMECLW-WDEREUQCSA-N 268.313 0.463 0 50 CCAA CC1(C)CN(C(=O)C[C@@H]2COCCN2)CCCO1 367643710 MAWGKNNLSJUOGM-LLVKDONJSA-N 256.346 0.392 0 50 CCAA Cc1noc([C@@H]2[C@H](C(=O)NO[C@H]3CCOC3)C2(C)C)n1 2325792445 DVIJHNXTMHBQQS-AEJSXWLSSA-N 281.312 0.954 0 50 CCAA N[C@H](CCO)C(=O)N1CCC(Nc2ccccc2F)CC1 2325800939 NUFBAIXIQHJNNB-CYBMUJFWSA-N 295.358 0.938 0 50 CCAA COc1ccc(N2C(=O)CS(=O)CC2=O)cc1 406422 ZYTYZJMMVLRABW-UHFFFAOYSA-N 253.279 0.317 0 50 CCAA N=C(N)N1CCN(Cc2ccc3c(c2)OCO3)CC1 2215438 CRHBZGWMAVQQAI-UHFFFAOYSA-N 262.313 0.426 0 50 CCAA O=C(Nc1ccccc1)N[C@H]1CCS(=O)(=O)C1 4064215 YPZANXMTGWZCDC-JTQLQIEISA-N 254.311 0.995 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(Cc1ccn3ncnc3c1)C2 2356166241 YIHSTQVHENBCTJ-KGLIPLIRSA-N 287.367 0.492 0 50 CCAA N=C(N)SC[C@H]1CN=C(N2CCOCC2)S1 4965035 MBUKRFNZQZHIRW-SSDOTTSWSA-N 260.388 0.417 0 50 CCAA CCN(c1nc(C)nc2c1cnn2C)[C@H]1CCNC1=O 225646354 GZPUJMCMWGULME-JTQLQIEISA-N 274.328 0.387 0 50 CCAA CC(=O)c1ccccc1OC[C@H](O)CN1CCOCC1 20419461 QGRBFZOIRDCXLZ-CYBMUJFWSA-N 279.336 0.961 0 50 CCAA CCN1CC2(CCN(C(=O)[C@@H]3[C@H]4CNC[C@H]43)CC2)OC1=O 102727665 OGUJJOHBICDDHL-GDNZZTSVSA-N 293.367 0.285 0 50 CCAA CC1=N[C@@]2(CCCc3c2no[n+]3[O-])N(O)C1(C)C 23633892 IRJKPCYJCVDWOF-NSHDSACASA-N 252.274 0.741 0 50 CCAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1Cc1cccnc1N 67740354 UGWIXGONCVZDHF-NEPJUHHUSA-N 277.372 0.090 0 50 CCAA COCc1cc(CNC(=O)Nc2nncs2)n[nH]1 23431135 DVSPMHBATZNHKX-UHFFFAOYSA-N 268.302 0.729 0 50 CCAA CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cocn1 1795313896 VQCQPMMFXOKNIF-JGPRNRPPSA-N 263.297 0.946 0 50 CCAA CCCc1cc(NCCc2n[nH]c(=O)[nH]2)nc(C)n1 67643551 ARKVCGLQDXWXKW-UHFFFAOYSA-N 262.317 0.804 0 50 CCAA CCO[C@H](C)c1noc(CN(C)C(=O)[C@H]2C[C@@H]2C(=O)O)n1 362535309 STCAQBGTDYYWNT-VGMNWLOBSA-N 297.311 0.846 0 50 CCAA Cc1cc(CN[C@]2(CO)CCOC2)nc(N(C)C)n1 252499037 RUDURPFURQSXHJ-ZDUSSCGKSA-N 266.345 0.092 0 50 CCAA O[C@]1(CNCCCN2CCc3ccccc32)CCNC1 77505813 YDJSUPKTMIBUNR-INIZCTEOSA-N 275.396 0.753 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 329685454 UTANGGMIBGWSDO-JHJVBQTASA-N 278.356 0.942 0 50 CCAA CN[C@@H](C)CNS(=O)(=O)c1c[nH]c2ncccc12 261562166 GIGQRZJWPSVLCJ-QMMMGPOBSA-N 268.342 0.449 0 50 CCAA Cc1cccc(C(=O)N[C@H](C(=O)NCCN)C(C)C)c1 236748191 RZZARVKPPVAEGG-ZDUSSCGKSA-N 277.368 0.824 0 50 CCAA O=C(O)CNC(=O)c1ccn(-c2c(F)cccc2F)n1 237931541 AHFUOTDCOBYCBT-UHFFFAOYSA-N 281.218 0.965 0 50 CCAA CC1(CO)CCN(C(=O)[C@@]2(C)CCCNC2=O)CC1 336102021 YSHCOILVHXPFPV-AWEZNQCLSA-N 268.357 0.524 0 50 CCAA COc1ccc(CN2CCC[C@@](O)(CO)C2)cc1O 72420139 QVPKUXPHHFVOSN-AWEZNQCLSA-N 267.325 0.720 0 50 CCAA Cc1nnc(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)n1C1CC1 285700724 BVYXMUYHIIMZJP-SECBINFHSA-N 294.359 0.943 0 50 CCAA COc1ccccc1C(=O)N[C@H]1COC[C@H]1n1ccnn1 284896656 GXGWCDACNIMXKP-NWDGAFQWSA-N 288.307 0.657 0 50 CCAA Nc1nc(=NC2CCOCC2)cc([C@@H]2CCOC2)[nH]1 426493874 ADHGVBIGBYFSKO-SECBINFHSA-N 264.329 0.576 0 50 CCAA Cc1nc(CN(C)C(=O)[C@H]2CCC[C@H](O)C2)no1 222546658 HAJMDADKXYMXCF-UWVGGRQHSA-N 253.302 0.888 0 50 CCAA COCC[C@H]1COCCN1c1cc(C)nc2ncnn12 292429270 UUUSYYGFFLYECD-NSHDSACASA-N 277.328 0.674 0 50 CCAA CC[C@H](Sc1nnc(CNC)n1C)C(=O)OC 426434835 KOHYEMPQDHLZNR-ZETCQYMHSA-N 258.347 0.578 0 50 CCAA COC(=O)c1n[nH]c2c1CN(c1nc(N)ncc1C)CC2 91974012 RPNCBZFPLNIPCB-UHFFFAOYSA-N 288.311 0.440 0 50 CCAA CC[C@@H](C(=O)NC1(C(N)=O)CCCC1)n1cccn1 91459448 DASUGEKUWGUBNE-JTQLQIEISA-N 264.329 0.749 0 50 CCAA COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239235716 WNYOLNYKQKTZMM-YAZVNUIRSA-N 261.277 0.213 0 50 CCAA Cn1cc([C@@H](NC(=O)Cc2c[nH]cn2)[C@H]2C[C@@H](O)C2)cn1 244899797 ZQHMCDODNAQYPI-BHYNMZESSA-N 289.339 0.314 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)NCC1CCNCC1 534590916 IQUXHNXTRPRDKM-UHFFFAOYSA-N 286.401 0.489 0 50 CCAA CC(C)CS(=O)(=O)CCNC(=O)C1CCNCC1 534655103 CCYLYMQTUOFMII-UHFFFAOYSA-N 276.402 0.173 0 50 CCAA CCN1CCN(CC(=O)NCC2(COC)CCCC2)CC1 456859003 OXORBHSOWDYHOS-UHFFFAOYSA-N 297.443 0.947 0 50 CCAA CSCCC(=O)N1CCN(c2nc[nH]n2)CC1 299796323 QDBDVEZPXWWOMM-UHFFFAOYSA-N 255.347 0.206 0 50 CCAA O=C(CCn1cnc2ccccc21)N1C[C@@H](O)[C@H](F)C1 1857689050 CQSMUXJYJWJAOW-ZWNOBZJWSA-N 277.299 0.968 0 50 CCAA COc1nn(C)cc1CNC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21 1341535745 GUCULLJMWHFDSZ-YTWAJWBKSA-N 264.329 0.028 0 50 CCAA CC[C@@H](C(=O)NCC1CCN(CCO)CC1)N(C)CC 828759855 IABPALUYUSUQAR-AWEZNQCLSA-N 285.432 0.537 0 50 CCAA Cc1cc(N2CCOC3(CCN(C)CC3)C2)nc(N)n1 826773410 WZEXJYFPVQBUEV-UHFFFAOYSA-N 277.372 0.668 0 50 CCAA CC(C)C[C@H](NC(=O)c1cc(O)n(C)n1)C(=O)O 585135014 UDYHLAFEJSWRHR-QMMMGPOBSA-N 255.274 0.355 0 50 CCAA NC1CCN([C@@H]2CCN(C(=O)[C@H]3CCCS3)C2)CC1 131889865 GYMXVEFBFNLURX-CHWSQXEVSA-N 283.441 0.906 0 50 CCAA NC(=O)c1ccc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)nc1 670468948 NIOMIKVIQVENEN-STQMWFEESA-N 290.367 0.216 0 50 CCAA COc1cccc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c1 684577299 ZDRWKJIOGCSCMX-JTQLQIEISA-N 298.364 0.594 0 50 CCAA CCCOCCS(=O)(=O)N[C@H](C)[C@@H]1COCCO1 2325803794 BMUUVPGLTQRKIF-MNOVXSKESA-N 281.374 0.136 0 50 CCAA C[C@H](Cn1cccn1)C(=O)NC1(C(N)=O)CCCC1 952984349 ZPWIAGBYEHBCRM-SNVBAGLBSA-N 264.329 0.434 0 50 CCAA C[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H](C)S1=O 408351827 JDAPGDJERFXSOQ-NXEZZACHSA-N 267.416 0.262 0 50 CCAA NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CCCCC(=O)N1 408515169 BZCHZFNHWUPOBR-UZWSLXQKSA-N 293.367 0.158 0 50 CCAA COc1ncccc1NC(=O)NCC(=O)N1CCOCC1 271930422 WKGXTUNCKZUNHK-UHFFFAOYSA-N 294.311 0.071 0 50 CCAA CN(C[C@H](O)CO)C(=O)[C@H]1CCCc2ccccc21 273964662 ZRAGISKWKNTPCV-JSGCOSHPSA-N 263.337 0.918 0 50 CCAA Cc1ccc(C(=O)N2CCOC[C@@H]2CO)c(C)n1 168562664 ZQTLNHAFWGGARK-NSHDSACASA-N 250.298 0.532 0 50 CCAA CC(C)CN1CCN(c2ccc(C(N)=O)nn2)[C@@H](C)C1=O 548286126 VELVFDXDYRYFNN-JTQLQIEISA-N 291.355 0.269 0 50 CCAA COC(=O)C[C@]1(NCc2ccon2)CCCOC1 170083206 FBHQNGMOJMSEEN-GFCCVEGCSA-N 254.286 0.877 0 50 CCAA CC(=O)CCCC(=O)O[C@@H](C)CNS(C)(=O)=O 170609491 DOXLEQWEHKDWOI-VIFPVBQESA-N 265.331 0.227 0 50 CCAA CC(=O)N1CC[C@@](N)(C(=O)Nc2ccc(C)nc2)C1 643774681 KTQWYGXAYCJZEA-ZDUSSCGKSA-N 262.313 0.278 0 50 CCAA Cn1nncc1CC(=O)N1CC[C@@H](CN2CCCC2)C1 669046428 YCGVPLHLXQCJDH-LBPRGKRZSA-N 277.372 0.302 0 50 CCAA Cc1nnc(N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)o1 583618064 ZIJJCACOOFQNLV-PWSUYJOCSA-N 273.296 1.157 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CC2(CCOC2)C1 908455431 PNKJTLRWXLNNED-UHFFFAOYSA-N 252.314 0.270 0 50 CCAA CCc1cc(C(=O)N2CCOC[C@@H]2CCO)n(C)n1 694903345 HANYJXFBLURQBN-NSHDSACASA-N 267.329 0.206 0 50 CCAA Cc1noc(CNC(=O)C(F)(F)[C@H](O)C(C)C)n1 1615585695 APPBJKTWZCEJAI-MRVPVSSYSA-N 263.244 0.646 0 50 CCAA CCN1CC[C@@H](NC(=O)C(C)(C)CO)C(F)(F)C1 1615614497 ICPJVGYVGPKRPY-SECBINFHSA-N 264.316 0.851 0 50 CCAA COC(=O)N[C@H](C)C(=O)N1CCC2(CCCO2)CC1 1857688259 ZKCYGMVIVXFSHQ-SNVBAGLBSA-N 270.329 0.903 0 50 CCAA COCCOCC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(C)=O 1501018284 ZKYMRMZNNKZACT-UWVGGRQHSA-N 276.285 0.102 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccnn3C)C[C@H]2O)on1 1529196148 VNPJNBNYHLFDRW-ZWNOBZJWSA-N 290.323 0.392 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)C3CCC3)C[C@H]2O)n[nH]1 1529195937 RPWNUBYCRMDEQV-DGCLKSJQSA-N 263.341 0.880 0 50 CCAA O=C1NC[C@]2(C(=O)O)CN(C(=O)CC3CCCCC3)C[C@H]12 217034219 XFOBMBILHZRDHP-ABAIWWIYSA-N 294.351 0.616 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCc2ncc[nH]2)CC[C@@H]1O 1704325332 LUTROHWQNBZNFH-KXUCPTDWSA-N 253.302 0.202 0 50 CCAA CC(C)c1nnc(N2CC[C@]3(CNC(=O)CO3)C2)s1 1800410751 ZRXHGIQJEYKJQJ-LBPRGKRZSA-N 282.369 0.757 0 50 CCAA CCn1nnc2c(N[C@@H](C)CC(=O)NC)ncnc21 1875271964 AIWNOYLRKKLBNU-ZETCQYMHSA-N 263.305 0.178 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(CCCn1cccn1)C2 1772705552 XSHGYWUCBDSIDE-KBPBESRZSA-N 264.373 0.536 0 50 CCAA COCCNC(=O)C(=O)Nc1cccc(OC)c1 2902158 OQLIYYXWHBZNJR-UHFFFAOYSA-N 252.270 0.396 0 50 CCAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2ncc[nH]2)C[C@H]1N 1857737718 ZSSIBXXGFCHWIT-YNEHKIRRSA-N 294.399 0.991 0 50 CCAA Cc1ccc(C(=O)N[C@H]2CCO[C@H](CO)[C@H]2O)s1 1857740709 VVXNKWUBKBTDBN-NGZCFLSTSA-N 271.338 0.297 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CCOC[C@H]1c1ncon1 407981890 VXXREMPHJLFBFR-JTQLQIEISA-N 291.311 0.634 0 50 CCAA CCc1nn(C)c2[nH]nc(NC(=O)[C@H](C)C(=O)O)c12 263563524 UFKMWCIOGJCEFR-YFKPBYRVSA-N 265.273 0.518 0 50 CCAA Cn1cncc1CNC(=O)N[C@H]1CC[C@@H](CO)CC1 812486593 XKGKSVPPUJHQKB-PHIMTYICSA-N 266.345 0.770 0 50 CCAA CC1(C)CC[C@H]1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 826833803 IGYHXVBECNJRCP-DTWKUNHWSA-N 265.317 0.536 0 50 CCAA CCN(CCO)c1cnc(I)cn1 952881053 DSVTXJGKFDUNEL-UHFFFAOYSA-N 293.108 0.900 0 50 CCAA CCc1cnc(CC(=O)N2CCC(=O)N3CCC[C@H]32)[nH]1 888161324 JEIYACFGPYWRNC-GFCCVEGCSA-N 276.340 0.695 0 50 CCAA COC(=O)[C@@H]1CCc2nnc(C(=O)N3CCCC3)n2C1 1771829796 DTHZINDHPMOOJG-SECBINFHSA-N 278.312 0.250 0 50 CCAA O=C(c1cc2ccccc2c(=O)[nH]1)N1CCCNCC1 237872845 FMOWDVKOAMMMLJ-UHFFFAOYSA-N 271.320 0.964 0 50 CCAA NC1(C(=O)N2CCC[C@H](N3CCCC3=O)C2)CCC1 335410292 OMFJLPFQPZGRDB-NSHDSACASA-N 265.357 0.481 0 50 CCAA CS(=O)(=O)Nc1cc(Br)ccc1C(N)=O 1252727363 PVMQFUHAHSDJOY-UHFFFAOYSA-N 293.142 0.920 0 50 CCAA O=C(CCc1nc(O)n[nH]1)N[C@@H]1c2ccccc2C[C@@H]1O 2100473491 NBTBJLQAQBVEDT-GXFFZTMASA-N 288.307 0.217 0 50 CCAA CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](Cn3ccnc3)C2)C1 2325848578 KLMBXXSIIUBHIJ-BJHJDKERSA-N 276.340 0.256 0 50 CCAA O=C(O)CCCC(=O)N1CCN(c2ccccn2)CC1 152847 VWJSKYWONUUYBB-UHFFFAOYSA-N 277.324 0.985 0 50 CCAA O=C(O)[C@H]1O[C@@H](C(=O)O)[C@@H]2[C@H]1C(F)(F)C2(F)F 1235906 ZBYYITGKQLENSW-DUHBMQHGSA-N 258.123 0.440 0 50 CCAA COCCNC(=O)Cn1nc(C(F)(F)F)cc1C 2917711 BWVQUXBPGPGFOS-UHFFFAOYSA-N 265.235 0.973 0 50 CCAA COC(=O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O 4101984 YCBFAGMROPHMRR-JTQLQIEISA-N 291.259 0.689 0 50 CCAA CCCn1[nH]c(=NC(=O)Cn2ccccc2=O)cc1C 2356151656 SCCXFWWGPAZPBI-UHFFFAOYSA-N 274.324 0.824 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)NC(C)C)cs1 6681568 QWONNXXGAUWEQB-UHFFFAOYSA-N 262.356 0.794 0 50 CCAA OCCN1CCN(C[C@H](O)COc2ccccc2F)CC1 20294301 LYVMZVTVWDWCEE-ZDUSSCGKSA-N 298.358 0.175 0 50 CCAA CSCC[C@@H](NC(=O)c1csc(N)n1)C(=O)O 55188183 SJANDWFPOTXUGV-RXMQYKEDSA-N 275.355 0.661 0 50 CCAA COC(=O)c1cccc(C(=O)N2CCC(=O)NC[C@H]2C)c1 20866193 ZPFZLDHNWUUBGA-SNVBAGLBSA-N 290.319 0.824 0 50 CCAA CN1CCO[C@@H](C(=O)N2CCc3ccccc3[C@H]2CO)C1 248609987 WXPZFINWGLTKFD-HUUCEWRRSA-N 290.363 0.435 0 50 CCAA CN(C)c1ncccc1CNc1cc(NCCO)ncn1 67817899 DDNFYRKJBWKGAD-UHFFFAOYSA-N 288.355 0.954 0 50 CCAA COCCC(=O)N1CCN(CC2=CCCN(C)C2)CC1 65433164 RMFXXNPPRKZPOR-UHFFFAOYSA-N 281.400 0.429 0 50 CCAA Cc1nnc(N2C[C@@H](CC(=O)O)[C@@H](c3cnn[nH]3)C2)s1 1076056052 QIPKBIAXFZUMKA-SFYZADRCSA-N 294.340 0.659 0 50 CCAA CC(C)[C@H](C)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 251277761 CTSWURCRDDZUEP-FFNLUWKOSA-N 290.363 0.954 0 50 CCAA O=C1NC(=O)[C@@H](CCc2nc(CCc3ccccc3)n[nH]2)N1 65507762 NUPPWFDMFDFYAN-LLVKDONJSA-N 299.334 0.731 0 50 CCAA Nc1nnc(CCNC(=O)c2n[nH]c3c2CCC3)s1 67784159 PMNSZNDTHXLTTH-UHFFFAOYSA-N 278.341 0.305 0 50 CCAA CNC(=O)NC1CN(C(=O)NCc2ccc(C)c(F)c2)C1 252509453 YOCKHNLNGCPDOE-UHFFFAOYSA-N 294.330 0.957 0 50 CCAA CCCCNC(=O)CN(C)C(=O)c1ccc(=O)n(C)c1 216172282 ARLHEKSVYODALR-UHFFFAOYSA-N 279.340 0.374 0 50 CCAA O=C(c1cc2n(n1)CCCO2)N1CCOCC12CC2 328713494 CAOGHDOFFKDTPA-UHFFFAOYSA-N 263.297 0.671 0 50 CCAA CCOC(=O)[C@@H]1CC[C@@H](Nc2ccc(C(N)=O)nn2)C1 253429994 WQOAVMNGJRSGRB-RKDXNWHRSA-N 278.312 0.719 0 50 CCAA CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)O)C1=O 30678320 GLPLDJICXMMSBB-QMMMGPOBSA-N 272.301 0.587 0 50 CCAA CN(CC(=O)O)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 153093031 IKQHVDKKXWUTKY-SMDDNHRTSA-N 290.319 0.749 0 50 CCAA O=C(Nc1ccn(Cc2ccccc2)n1)[C@@H]1C[C@@H](O)CN1 366337709 IEKXWGWJIBAUTH-OLZOCXBDSA-N 286.335 0.593 0 50 CCAA O=C1CCCN1C[C@H](O)CN1CCC2(CCOCC2)CC1 367464445 SQOWQNFMZGWUOK-CQSZACIVSA-N 296.411 0.862 0 50 CCAA CN1C(=O)CC[C@@H](NC(=O)NCC2=CCCCC2)C1=O 333784913 VECJMWPNYMRRTN-LLVKDONJSA-N 279.340 0.933 0 50 CCAA Cn1cc(N2CCN(C(=O)[C@H]3CCC[C@@H](N)C3)CC2)cn1 237692616 NCGAZHACCZGYCC-QWHCGFSZSA-N 291.399 0.586 0 50 CCAA O=C(COC[C@H]1CCCCO1)NCCc1cn[nH]c1 216133291 RRMOZEGRPOGFAQ-GFCCVEGCSA-N 267.329 0.654 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)c1ccc2c(c1)CCO2 335787094 BNIPHNNWFDNBQU-JTQLQIEISA-N 274.320 0.972 0 50 CCAA Cc1noc(COCC(=O)N2CCOC[C@H](C)C2)n1 372887201 ZJEDJMKWRMVETN-SECBINFHSA-N 269.301 0.390 0 50 CCAA CN(C)c1cccc(C(=O)N2C[C@H](N(C)C)C[C@H]2CO)c1 220243247 DULAYHNBBNCPCN-CABCVRRESA-N 291.395 0.890 0 50 CCAA CCCc1nc(C)c(CNC(=O)Cn2nnnc2N)s1 222789140 RCHKSAKWODSLDM-UHFFFAOYSA-N 295.372 0.289 0 50 CCAA O=C(NCCCc1cccnc1)[C@H]1CCS(=O)(=O)C1 426728322 SZVGBBQBJAFIHQ-LBPRGKRZSA-N 282.365 0.565 0 50 CCAA CN1CCC[C@H]1CNC(=O)c1nnc2ccccc2n1 289617933 GRIZEYJXZBHIOJ-JTQLQIEISA-N 271.324 0.849 0 50 CCAA CCCn1nc(C)c(CNC(=O)CN(C)C(N)=O)c1C 426691307 QCISRIWJOVMBAJ-UHFFFAOYSA-N 281.360 0.537 0 50 CCAA CN(C(=O)c1ccccc1Cn1cncn1)[C@@H]1CCNC1 179114847 UXWVWVQSYDRIQN-CYBMUJFWSA-N 285.351 0.760 0 50 CCAA COCn1cc(I)c(C(=O)OC)n1 238850619 CAVJEEHZFCIPKD-UHFFFAOYSA-N 296.064 0.878 0 50 CCAA CC(C)C(=O)N1CCC[C@H](c2nccn2CC(N)=O)C1 95499849 GUGWOLOLFXHCEY-NSHDSACASA-N 278.356 0.730 0 50 CCAA OCCOCCNc1nccc(-c2cccnc2)n1 96164937 QZASOYVUEYTTDI-UHFFFAOYSA-N 260.297 0.959 0 50 CCAA COC1(CNC(=O)N2CCS(=O)(=O)C[C@@H]2C)CCC1 181580308 DCPOWYLJNDCFKJ-JTQLQIEISA-N 290.385 0.384 0 50 CCAA Oc1cc(C(F)(F)F)nc2nc(N3CCNCC3)nn12 253534659 TYTDNQYMVQNZHD-UHFFFAOYSA-N 288.233 0.258 0 50 CCAA NC(=O)NCC(=O)NC[C@@H]1CCN(C2CCCCC2)C1 534657440 CVYAAWDZKAZMJH-NSHDSACASA-N 282.388 0.426 0 50 CCAA CCn1ncnc1CN1CC[C@H]2OCc3cnnn3[C@H]2C1 299757641 LOLFWYHUKJBRQM-NWDGAFQWSA-N 289.343 0.235 0 50 CCAA CC(=O)N1CCCC[C@H]1C(=O)NCc1csc(N)n1 827731029 JHSSTZUYWZDRFW-JTQLQIEISA-N 282.369 0.743 0 50 CCAA COc1ccc2ncn(CCc3nc(N)n[nH]3)c(=O)c2c1 584900796 BKNSJIWUSYRSJR-UHFFFAOYSA-N 286.295 0.348 0 50 CCAA O=c1c2ncccc2ncn1C[C@@H](O)CN1CCCC1 584887035 FVZBAAWFGKGZHL-NSHDSACASA-N 274.324 0.248 0 50 CCAA CS(=O)(=O)CCN[C@H]1CN(c2ccccc2)C1=O 1335411287 DIMVMDKPIBAAQG-NSHDSACASA-N 268.338 0.036 0 50 CCAA O=C(NCc1nc(CO)n[nH]1)C12CCC(CC1)CC2 1353751471 BKBNGBORRFSEPT-UHFFFAOYSA-N 264.329 0.884 0 50 CCAA CCCCCS(=O)(=O)N1CCN(C(=O)C(F)F)CC1 408514916 XNDTUVQKXOHKRL-UHFFFAOYSA-N 298.355 0.916 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2cccc3nonc23)C[C@H]1CO 275235901 DWXMFKVFDBJZIZ-BDAKNGLRSA-N 297.336 0.472 0 50 CCAA C[C@@H]1CCCCCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 631969889 GOUXHASEUDJJGZ-OLZOCXBDSA-N 290.429 0.911 0 50 CCAA CN(CCNS(C)(=O)=O)C(=O)c1ccc(F)cc1 690943163 KOMZIZVBYBJWSK-UHFFFAOYSA-N 274.317 0.447 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccon1 643950485 IJSLMEVGLVHSRB-GFCCVEGCSA-N 267.285 0.042 0 50 CCAA COC1(CC(=O)N2CCC[C@@](O)(CC(N)=O)C2)CCC1 644001750 VWUUFGGWVYIDHJ-CYBMUJFWSA-N 284.356 0.175 0 50 CCAA CN(C)[C@@H]1C[C@H](NC(=O)c2ccn(C)c(=O)c2)C1(C)C 585089413 LLVXBWAYHOSTLJ-NWDGAFQWSA-N 277.368 0.844 0 50 CCAA CCN(C1(C(=O)O)CC1)S(=O)(=O)c1cnn(C)c1C 1615571325 JCVFHNLAUFEXTI-UHFFFAOYSA-N 287.341 0.356 0 50 CCAA C1CN(C2CCN(CC[C@H]3COCCO3)CC2)CCO1 1800414574 UUYXRASLXZVMJY-HNNXBMFYSA-N 284.400 0.589 0 50 CCAA CSc1ncccc1C(=O)N[C@H]1CCNC1=O 222775541 INKCRDHAFLNJLN-QMMMGPOBSA-N 251.311 0.422 0 50 CCAA CCN(CC)CC(=O)Nc1sc(NC)nc1C(N)=O 1529161166 AHPVPTDNUSSBSV-UHFFFAOYSA-N 285.373 0.564 0 50 CCAA C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O 609965 JIFXULKCWCQJDP-LURJTMIESA-N 262.718 0.492 0 50 CCAA Cc1nnc(CCNC(=O)c2nsnc2C)s1 1800411120 GFUBILIHMAJFDC-UHFFFAOYSA-N 269.355 0.979 0 50 CCAA Cn1ccnc1CNC(=O)[C@@]1(C)CC12CCNCC2 1857705316 BTJNKUGHYJSPCV-CYBMUJFWSA-N 262.357 0.816 0 50 CCAA O=S(=O)(c1cnsc1)N1CC(Oc2ncccn2)C1 1875397431 ZYSYWXQCWZZGSN-UHFFFAOYSA-N 298.349 0.385 0 50 CCAA O=C1N(CC2CC2)CCC[C@@]1(O)CN1CCSCC1 12387371 SIDFAXCBHYSCGM-CQSZACIVSA-N 284.425 0.799 0 50 CCAA CS(=O)(=O)N1C[C@@H](C(=O)O)Oc2ccccc21 13534122 IRHUTUSIVLDLCK-VIFPVBQESA-N 257.267 0.298 0 50 CCAA Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)NCC[C@@]341 13831510 ONBWJWYUHXVEJS-VNTCJJKQSA-N 271.316 0.856 0 50 CCAA O=C(O)CCC(=O)NCC(=O)NCCc1ccccc1 2904421 HHCSKNAVLHKVQX-UHFFFAOYSA-N 278.308 0.326 0 50 CCAA C[C@H]1C[C@@H]1c1nc(C(C)(C)NS(C)(=O)=O)no1 225607036 GQTUMHKZMQAOOP-BQBZGAKWSA-N 259.331 0.977 0 50 CCAA C[C@H](O)CN1CCN(CC(=O)Nc2cccnc2)C[C@H]1C 240744107 HUORSKQOEYUPBQ-OLZOCXBDSA-N 292.383 0.407 0 50 CCAA Cn1ccc(CN2CCC[C@H]2c2nc[nH]n2)cc1=O 931134602 DWDNJMLYDJAWIC-NSHDSACASA-N 259.313 0.841 0 50 CCAA O=C(O)CN1CC[C@H](n2nnc(-c3cccs3)n2)C1=O 853005019 XTWGZWDKZAJQOA-ZETCQYMHSA-N 293.308 0.260 0 50 CCAA C[C@H](c1nnnn1C)N1CCn2ncc(CN(C)C)c2C1 952890093 RVVKHUZINDSQOL-SNVBAGLBSA-N 290.375 0.045 0 50 CCAA N=C(N)NCc1cccc(NC(=O)Cn2cccn2)c1 1875254176 HAAKARAYJLYWTB-UHFFFAOYSA-N 272.312 0.505 0 50 CCAA CN[C@H](CC(C)(C)C)C(=O)NS(=O)(=O)[C@@H](C)COC 1875291119 NYARPRMJBXPTOF-VHSXEESVSA-N 294.417 0.492 0 50 CCAA CCO[C@]1(C(=O)N=c2cc(C(F)(F)F)[nH][nH]2)CCOC1 1875271656 KQNOMANDBKAUER-SNVBAGLBSA-N 293.245 0.985 0 50 CCAA Cc1ccc(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)o1 885297937 NNWIXMKJBKTLHE-SNVBAGLBSA-N 286.353 0.268 0 50 CCAA N[C@H](CN1CCCCC1)C(=O)N1CC[C@]2(CCNC2)C1 888096410 FVHVOWUDEIYMJH-HIFRSBDPSA-N 280.416 0.012 0 50 CCAA CCc1cc(CC(=O)N[C@@]23CCC[C@H]2NCC3)n(C)n1 1775961310 PMPICHNDBQOFPK-UKRRQHHQSA-N 276.384 0.926 0 50 CCAA Cn1ccnc1[C@H](NC(=O)c1cnc(O)cn1)C1CC1 252490411 KSWDLGSDZKMKGF-LLVKDONJSA-N 273.296 0.797 0 50 CCAA O=C(O)[C@H]1CN(C(=O)C2CCSCC2)CCO1 257740115 XVWHDKXOQIKOOJ-SECBINFHSA-N 259.327 0.442 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@H]1COc2ccccc2C1 268912550 OHOMHTGTMZDSTI-GMTAPVOTSA-N 261.277 0.827 0 50 CCAA Nc1nccnc1C(=O)NC[C@@H]1CCc2nccn2C1 276323080 PIBGNHWIOYMCGC-VIFPVBQESA-N 272.312 0.248 0 50 CCAA CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Cl)cn1 664270149 RORDRGNJPSORGE-YUMQZZPRSA-N 277.733 0.354 0 50 CCAA CO[C@H]1C[C@@H](CO)N(CC(=O)N(C)Cc2ccco2)C1 312436692 BRWOQQMHEMLBRX-AAEUAGOBSA-N 282.340 0.320 0 50 CCAA Cc1nnsc1C(=O)N1CCC[C@@H](OCCO)C1 330954528 AMEDFXULQRBPOP-SECBINFHSA-N 271.342 0.460 0 50 CCAA N[C@H]1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 429070265 MJZTWSOOLVHXJR-VIFPVBQESA-N 261.281 0.191 0 50 CCAA CCCN1CC[C@H](Nc2cc(OC)nc(=N)[nH]2)C1 389926817 XTBFZMRBAMRWHS-VIFPVBQESA-N 251.334 0.794 0 50 CCAA O=C1CC[C@@H](Nc2cc(N3CCCC3)ncn2)C(=O)N1 1857797732 HKMYQUHLUBTGCP-SECBINFHSA-N 275.312 0.294 0 50 CCAA CCNc1nccnc1N1CCn2c(CCO)nnc2C1 2325790941 YZHWEDVSLKGAJV-UHFFFAOYSA-N 289.343 0.055 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 49739 HINOXWVZGLPOED-WPRPVWTQSA-N 251.238 0.705 0 50 CCAA Cn1cc(CN2C[C@@H]3CNC(=O)[C@@H]3C2)c2cccnc21 2356165072 RSSOFGITGKBSKZ-GXFFZTMASA-N 270.336 0.751 0 50 CCAA C[C@@H]1C[C@H]1NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 246009476 RGTYEXPRCKIEIP-IWSPIJDZSA-N 262.375 0.475 0 50 CCAA CCC(=O)N1CCCC[C@@H]1C(=O)N1CC(=O)N(C)[C@@H](C)C1 225741775 SPTLCJANIBVENR-NWDGAFQWSA-N 295.383 0.467 0 50 CCAA CCOC(=O)N1CCN(C(=O)NCCOC)CC1 9875642 SLDUJFPHPUKNHE-UHFFFAOYSA-N 259.306 0.117 0 50 CCAA CCN1CCC(N(C)C(=O)[C@@H](C)NC(C)=O)CC1 112893822 DYHCTKYNTUNHFT-SNVBAGLBSA-N 255.362 0.454 0 50 CCAA NC(=O)[C@H]1CCCN1C[C@]1(O)CCCN2CCCC[C@@H]21 63856062 RUCRBEMYFGIZDG-UMVBOHGHSA-N 281.400 0.316 0 50 CCAA CCCc1noc(CN2CCN(CCO)CC2)n1 23374893 BYIZSBHLNUEZSV-UHFFFAOYSA-N 254.334 0.132 0 50 CCAA CC(=O)O[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 26892827 NXEJETQVUQAKTO-PRTGYXNQSA-N 260.242 0.158 0 50 CCAA in-vitro Cn1nnnc1Cn1cccc(C(F)(F)F)c1=O 330784313 ROZRHGLEELKPKE-UHFFFAOYSA-N 259.191 0.439 0 50 CCAA C[C@@H]1C[C@H](S(=O)(=O)N2CCOC(C)(C)C2)CCO1 253429493 NJHMKIHUUHZNMV-GHMZBOCLSA-N 277.386 0.995 0 50 CCAA C[C@@H](CN)N(C)C(=O)[C@@H](C)NC(=O)C1CCCC1 429350996 DYINZFBJDRBNFZ-VHSXEESVSA-N 255.362 0.487 0 50 CCAA COc1cccc(CC(=O)N2CCN(C3CC3)C(=O)C2)n1 328660253 VAXLROHCVABEHP-UHFFFAOYSA-N 289.335 0.466 0 50 CCAA CC[C@H](O)CNC(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1 355800670 WWGJCGKUNFFVGE-RWMBFGLXSA-N 281.356 0.868 0 50 CCAA CCc1ccc(S(=O)(=O)N2CCCNC(=O)C2)s1 74835863 AQTCQFGKTSKOLO-UHFFFAOYSA-N 288.394 0.821 0 50 CCAA O=C(Cn1cnnc1O)N1CC[C@]2(CCCOC2)C1 357098168 AKKZZHOXXZHPSE-GFCCVEGCSA-N 266.301 0.013 0 50 CCAA O=C(C[C@@H]1COCCN1)NCCCn1nccc1C1CC1 72156270 TZLSDYIHHGDDOW-CYBMUJFWSA-N 292.383 0.645 0 50 CCAA Cc1n[nH]c(=NC[C@@H]2CCCN(c3ncccn3)C2)o1 367840201 FSQHVPJKZSYSLX-NSHDSACASA-N 274.328 0.918 0 50 CCAA Cc1cc(=O)c(C(=O)NC[C@H](C)N2CCCCC2=O)c[nH]1 332720355 CPNBLCQSCIOYKW-NSHDSACASA-N 291.351 0.814 0 50 CCAA C[C@H](C(=O)N1CCOC[C@]12CCOC2)n1cccn1 282292603 YNNWGMIVLBSSFR-DGCLKSJQSA-N 265.313 0.462 0 50 CCAA C=CC(=O)NCCC(=O)N[C@@H]1CCCCC12OCCO2 490644586 FYZJTYHAOBJPAW-LLVKDONJSA-N 282.340 0.481 0 50 CCAA Cc1cccnc1[C@H](C)NC(=O)c1cn(CCN)nn1 77504770 KUPNUUZVPLSWJI-JTQLQIEISA-N 274.328 0.431 0 50 CCAA C[C@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)[C@H]1C(=O)O 263109404 YHJZWYYSLKCVJO-GZMMTYOYSA-N 293.323 0.449 0 50 CCAA CNC[C@H]1CCCN(C(=O)/C=C/c2ccnn2C)C1 159060991 JYQONSOLWUXNDP-BTDICHCPSA-N 262.357 0.891 0 50 CCAA CCN1CCN(C(=O)COc2ncccn2)CC1 72441243 ZKEPTICXBFFLKP-UHFFFAOYSA-N 250.302 0.020 0 50 CCAA CN(C)[C@H]1CCCN(CC(=O)Nc2cnn(C)c2)CC1 72156203 ZCHFGVSRRSVISI-ZDUSSCGKSA-N 279.388 0.775 0 50 CCAA C[C@@H](C(=O)N(C)CC1(CO)CCOCC1)n1ccnc1 426412299 OZVOJSBAJXVNPB-LBPRGKRZSA-N 281.356 0.692 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)C1 238900577 JQKUFOMHSHPODM-ZJUUUORDSA-N 281.399 0.235 0 50 CCAA OC[C@H](O)Cn1cc(COCc2ccccc2)nn1 91768921 QCPNSMVYZWOAEN-CYBMUJFWSA-N 263.297 0.348 0 50 CCAA c1cc(CN2CCN([C@H]3CCNC3)CC2)c2nonc2c1 97772690 RFAUXDHTYGLWHJ-ZDUSSCGKSA-N 287.367 0.702 0 50 CCAA CN[C@@H](C)C(=O)N1CCN(c2ccccc2OC)C(=O)C1 91908360 TVOYHQAQDUVZPA-NSHDSACASA-N 291.351 0.478 0 50 CCAA CC(C)[C@]1(O)CN(C(=O)CCc2n[nH]c(N)n2)C[C@H]1C 91503682 UUZUCIVPPRJVEH-NOZJJQNGSA-N 281.360 0.185 0 50 CCAA CN(C)c1ccccc1-c1nc(CC(N)=O)nn1CCO 96142230 BIWHVBCFUXRILU-UHFFFAOYSA-N 289.339 0.031 0 50 CCAA CN(C)[C@@H]1C[C@@H](CO)N(Cc2cccc(C(=O)O)c2)C1 97547549 IRZJEPXTYMHRGF-KGLIPLIRSA-N 278.352 0.882 0 50 CCAA CCC[C@H]1CN(CC(=O)O)C[C@@H]1NC(=O)c1cc(C)[nH]n1 91770494 ZVBMAXQYGVZUJL-JQWIXIFHSA-N 294.355 0.633 0 50 CCAA CCOCCNC(=O)c1cnc(C2CC2)[nH]c1=O 97609982 KOOGWWJVLCPRPM-UHFFFAOYSA-N 251.286 0.414 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3[C@@H]4[C@@H]3[C@@H]3[C@]5(CCC[C@]135)[C@H]42 248021155 HZYORRWLOHIHCH-ZYJPZKKHSA-N 257.293 0.120 0 50 CCAA COCn1nc(Br)nc1N1CCN(C)CC1 524728986 ONELEJLTSIFILQ-UHFFFAOYSA-N 290.165 0.396 0 50 CCAA Cc1ccc(NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)cn1 626449004 UAVBOVHFUIYLRP-VXGBXAGGSA-N 288.311 0.431 0 50 CCAA CC(C)Cc1nn(C)c2cnc(S(C)(=O)=O)nc12 601013381 OAPFIFYLVOVLQQ-UHFFFAOYSA-N 268.342 0.965 0 50 CCAA Cc1noc(-c2cncnc2NC[C@H]2COCCO2)n1 252485129 GNWMJYNEBXDXQT-VIFPVBQESA-N 277.284 0.662 0 50 CCAA CC[C@@H](NC(=O)CNS(C)(=O)=O)c1cc(C)ccn1 534639471 CCMXTADFXOLQMQ-SNVBAGLBSA-N 285.369 0.507 0 50 CCAA CCCN1CCNC2(CCC3(CC2)OCCO3)C1=O 382743056 WSUIUBWCLQCOJF-UHFFFAOYSA-N 268.357 0.884 0 50 CCAA COC(=O)c1ccnc(NC(=O)c2nc(OC)n(C)n2)c1 1940195245 QQJDBWSTCAFJHA-UHFFFAOYSA-N 291.267 0.258 0 50 CCAA O=C(c1cn[nH]c1)N1CCCO[C@@H](CN2CCCC2)C1 299790965 CWFGMCKKIMIYPS-ZDUSSCGKSA-N 278.356 0.737 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)N(C)C1CCS(=O)(=O)CC1 299765488 HIVRWVODHYSYOD-NSHDSACASA-N 299.396 0.555 0 50 CCAA C[C@@H]1CCCCN1CC(=O)N(C)Cc1nncn1C 827887468 IEUQXKVQFIEYOR-LLVKDONJSA-N 265.361 0.648 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)CCn1c(C)cccc1=O 824506802 RDHZNCBKTLSXKV-RYUDHWBXSA-N 280.324 0.077 0 50 CCAA CCCn1cnnc1[C@H](C)NC(=O)CN1CCCCC1=O 584895224 LMLOPCUFWQWPAV-NSHDSACASA-N 293.371 0.878 0 50 CCAA Cc1ncn(CCNC(=O)c2cncc(=O)[nH]2)c1C 670455428 VZMGNHQLDIYLBS-UHFFFAOYSA-N 261.285 0.013 0 50 CCAA CC(C)(C)N1C[C@H](NC(=O)NC2CSC2)CC1=O 1413776399 QYHWTCYFICEGLU-MRVPVSSYSA-N 271.386 0.800 0 50 CCAA CCOc1cc(C(=O)NCC(C)(C)N2CCOCC2)[nH]n1 1362014921 OQVTYVAOHHXKJA-UHFFFAOYSA-N 296.371 0.649 0 50 CCAA Cc1cc(C)cc(CCC(=O)N[C@H]2CNC[C@@H]2O)c1 1565509244 LWODOHHMCJOLHX-KBPBESRZSA-N 262.353 0.685 0 50 CCAA C[C@@H]1c2cccn2CCN1C(=O)c1nc(O)nc(O)c1N 408235156 JGFKEOZLRZVGAT-SSDOTTSWSA-N 289.295 0.489 0 50 CCAA COCCN1C[C@@H](C(=O)N2CCC(F)CC2)CC1=O 881609730 FGSQKMUTWSIHGQ-JTQLQIEISA-N 272.320 0.442 0 50 CCAA O=C(c1cncnc1)N1CCN(Cc2ccncc2)CC1 274038804 XODAGDUIDFRMBR-UHFFFAOYSA-N 283.335 0.830 0 50 CCAA NS(=O)(=O)c1ccccc1N1CC[C@H](n2cccn2)C1 631279833 TUQISVYTRDPAER-NSHDSACASA-N 292.364 0.982 0 50 CCAA CO[C@H]1CN(C(=O)[C@H](C)OCC2CC2)C[C@H]1OC 170612265 JVEHERFMBPUXTH-ZMLRMANQSA-N 257.330 0.674 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)CC1 188656481 CBASNWLCICLPFJ-TZMCWYRMSA-N 292.383 0.884 0 50 CCAA CCC1(CO)CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 188988236 UWMBISAXXYARHK-WDEREUQCSA-N 258.337 0.698 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(c2nnc(C3CC3)o2)C1 643718972 NKTZVXGRULGUAV-CQSZACIVSA-N 294.355 0.757 0 50 CCAA CN(C(=O)[C@@H]1CCc2nnnn2CC1)c1ccn(C)n1 651760675 LVELFYJJRVZKBO-SECBINFHSA-N 275.316 0.022 0 50 CCAA CCC1CCN(S(=O)(=O)N[C@H](C)CC(=O)O)CC1 656509096 LLSWERKOEXBRIS-SECBINFHSA-N 278.374 0.806 0 50 CCAA Cc1ccc(S(=O)(=O)NC2(CC(=O)O)COC2)c(C)c1 1615587941 WGGPTBVRKDCBCV-UHFFFAOYSA-N 299.348 0.825 0 50 CCAA CC(C)N(C)C(=O)N1CC[C@@H](N2CCCS2(=O)=O)C1 1615547519 AXPZDDPBXHVOAF-LLVKDONJSA-N 289.401 0.556 0 50 CCAA Cc1ccc(-c2noc(CCNC(=O)CO)n2)cc1F 1616038125 VDTUJJZXTMNWOM-UHFFFAOYSA-N 279.271 0.835 0 50 CCAA O=C(O)c1nccnc1NCCCN1CCC[C@H](CO)C1 1506417937 CSCCURBMEQJFMG-NSHDSACASA-N 294.355 0.681 0 50 CCAA Cc1ccn2c(NC(=O)CCc3ccnn3C)nnc2n1 1506403685 YOIAVWNHKOOHJP-UHFFFAOYSA-N 285.311 0.738 0 50 CCAA CCOC(=O)c1cncc(B(O)OC(C)(C)C(C)(C)O)c1 200309539 RBDBYHKXEVSZSL-UHFFFAOYSA-N 295.144 0.512 0 50 CCAA CCC[C@H]1COC[C@H]2CN(C(=O)Cn3cccn3)CCN12 1529111437 YFXQURNASMYDNQ-UONOGXRCSA-N 292.383 0.595 0 50 CCAA COC[C@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H](C)O1 331044454 SQYBEVAHMAYJSF-NWDGAFQWSA-N 267.329 0.454 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCNC[C@@H]1C 125430094 VPEYZNYFLJYHCU-VIFPVBQESA-N 266.345 0.236 0 50 CCAA C[C@@H](NC(=O)[C@]1(C(=O)O)CC1(C)C)c1ncon1 663116144 PIDVUWPIQANHDT-KBUNVGBDSA-N 253.258 0.748 0 50 CCAA Cc1nsnc1C(=O)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775983743 ADJMQDUTLJRTJE-BRPSZJMVSA-N 253.327 0.689 0 50 CCAA O=C(N[C@@H]1CCO[C@@H]1C(=O)O)c1ccn(C2CCCC2)n1 1857532053 BNYGPOKUIFMSPS-PWSUYJOCSA-N 293.323 0.970 0 50 CCAA Cn1nc2c(c1-c1ccccc1)CCN(CC(N)=O)CC2 1857708062 SCKCCIADYIZBIO-UHFFFAOYSA-N 284.363 0.973 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)c1cccc(-n2cncn2)c1 262690223 GDWGXOUDTSYVBY-LBPRGKRZSA-N 286.291 0.957 0 50 CCAA Cc1c(C(=O)N[C@H](Cc2ccccc2)C(=O)O)nnn1C 262848124 FOPNEKJPNMBUBZ-LLVKDONJSA-N 288.307 0.549 0 50 CCAA C=CC(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 863971304 NVVVKMUWBCZSCN-UHFFFAOYSA-N 277.299 0.759 0 50 CCAA N[C@H]1CCCCCN(C[C@H](O)Cn2cccn2)C1 864097254 QZNZPXZKJVYUSV-STQMWFEESA-N 252.362 0.447 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC(NC(=O)OC(C)(C)C)C1 1875367309 TXPYNJCLMSSXKL-UHFFFAOYSA-N 297.355 0.366 0 50 CCAA COC(=O)/C=C/CCNC(=O)[C@H](O)c1cccc(OC)c1 1875314248 OQNYTUXQDZFMHK-SMDADKPZSA-N 293.319 0.964 0 50 CCAA C=CC(=O)NC[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1875368164 WENMQACHZPFZHM-QWRGUYRKSA-N 272.370 0.493 0 50 CCAA COc1nscc1C(=O)N=c1cc2n([nH]1)CCC2 1875301759 SNOUYURERBEHOM-UHFFFAOYSA-N 264.310 0.969 0 50 CCAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)C2CN(C(C)=O)C2)C1 888077703 QFRTUEAVTHIDNN-VXGBXAGGSA-N 292.339 0.176 0 50 CCAA N[C@@H]1CCN(S(=O)(=O)c2cccc3ncccc23)C1 158367904 DGOFOADSQUDCGX-SNVBAGLBSA-N 277.349 0.957 0 50 CCAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)CCn1cccn1 263477084 FLVJOETVNAIHHP-MNOVXSKESA-N 265.313 0.985 0 50 CCAA NC[C@]1(F)C[C@@H](C(=O)N2CCCC[C@H]2Cn2ccnn2)C1 2325779214 ONAVVOJAFUFCOF-SGMGOOAPSA-N 295.362 0.736 0 50 CCAA C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N[C@@H](CCO)C(=O)O)C1 2325829351 HJMMLZSIOAJYNX-SFGNSQDASA-N 281.312 0.027 0 50 CCAA C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 392036 IPJUIRDNBFZGQN-WCBMZHEXSA-N 253.254 0.747 0 50 CCAA COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)CF 2507503 MXOOUCRHWJYCAL-ZETCQYMHSA-N 263.265 0.981 0 50 CCAA in-vitro O=C1CCCN1CCCNC(=S)NC[C@@H]1CCCO1 2766693 JNLFWBSIAHWGBI-NSHDSACASA-N 285.413 0.642 0 50 CCAA CCn1ncnc1CN1CCC[C@@]12CCCN(C)C2=O 2356165923 QYVXTWHMSUAEBM-CQSZACIVSA-N 277.372 0.885 0 50 CCAA CC(=O)n1nc(C)c(S(=O)(=O)N2CCCC2)c1C 8768907 DYPJFKAJWLCEBQ-UHFFFAOYSA-N 271.342 0.945 0 50 CCAA O=C(NCCC(=O)N1CC(O)C1)c1ccccc1F 55576231 FHCVPNXGGLHUMD-UHFFFAOYSA-N 266.272 0.149 0 50 CCAA CN(Cc1cn(C2CCNCC2)nn1)C[C@H]1CCCO1 23543491 PYMJSJONEKIMFI-CQSZACIVSA-N 279.388 0.813 0 50 CCAA CCOC(=O)C[C@H](O)C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C 253404568 MDIPWINHJAZJNZ-PKFCDNJMSA-N 287.356 0.620 0 50 CCAA O=C(NC[C@@H]1CCN(C2CC2)C1)N1CCN2CCC[C@H]2C1 171901552 FHDWJOWTKBNHJS-ZFWWWQNUSA-N 292.427 0.960 0 50 CCAA N=C(O)CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccon1 328606510 RWBMSUMRRPTBMV-YUMQZZPRSA-N 270.264 0.352 0 50 CCAA C[C@@H]1CCO[C@@H]1C(=O)NCCn1c(S)nnc1C1CC1 152723835 IXKHKGHCJRCOHF-SCZZXKLOSA-N 296.396 0.985 0 50 CCAA CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CNCCO1 215234507 PSPRSQHGXQZKTM-LBPRGKRZSA-N 276.296 0.170 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CC[C@](O)(C(F)(F)F)C1 261573684 MJHIRLKYVOGKPM-HCVRKRLWSA-N 267.203 0.233 0 50 CCAA O=C(NC1C[C@@H]2C[C@H]2C1)[C@H]1CCCCS1(=O)=O 333397763 FCYUVVMTFPLFLN-ATZCPNFKSA-N 257.355 0.868 0 50 CCAA O=C(CCn1cncn1)N1CC[C@](O)(c2ccccc2)C1 219215151 QHQQYIGXZXXFHN-OAHLLOKOSA-N 286.335 0.788 0 50 CCAA O=C(NC1CCNCC1)c1cn(Cc2ccccc2)nn1 262216497 YHHVWIROSJUGEX-UHFFFAOYSA-N 285.351 0.808 0 50 CCAA CCn1nc(C)c(C(=O)N2CCC[C@@](O)(CO)CC2)c1C 72154355 QTZDZKRSCROVIJ-HNNXBMFYSA-N 295.383 0.869 0 50 CCAA N[C@H]1CCCN(C(=O)c2cc(-n3cccn3)ccn2)C1 157776507 DCFWTIGPYBOJMK-NSHDSACASA-N 271.324 0.831 0 50 CCAA Nc1ncccc1CN1CCOC[C@H]1CC(=O)O 72152487 VCVWCKCCYKBWKY-SNVBAGLBSA-N 251.286 0.339 0 50 CCAA O=C(O)[C@H]1C[C@@H]1C(=O)NCc1ccc(-n2cncn2)cc1 262591688 HVLCCFZSSUZAJE-RYUDHWBXSA-N 286.291 0.604 0 50 CCAA COCCN1CN(Cc2cccc3c2OCCO3)CC1=O 282496492 NWJNDJQNDKFMDL-UHFFFAOYSA-N 292.335 0.706 0 50 CCAA COCc1cc(N2CCO[C@@H](CCN(C)C)C2)ncn1 71589537 VCJRWSZYKGWJKL-ZDUSSCGKSA-N 280.372 0.780 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(F)cn2)C1 284807802 LBPQXRZIUBAJSG-VHSXEESVSA-N 254.261 0.443 0 50 CCAA CCc1ncnc(N2C[C@H](F)C[C@H]2C(N)=O)c1F 284611134 QRQAYOVICIZYRE-SVRRBLITSA-N 256.256 0.580 0 50 CCAA CNCc1nnc(SCc2nonc2C)n1C 426500054 FMYWQGZUFFGCCY-UHFFFAOYSA-N 254.319 0.518 0 50 CCAA CCO[C@@H](C)C(=O)NCc1ccc(C(=O)NC)o1 426574852 VVTJTOVBSGEQJH-QMMMGPOBSA-N 254.286 0.680 0 50 CCAA C[C@@H](Nc1nnc(C2CCC2)o1)c1n[nH]c(=O)[nH]1 95359932 JGCNRQHWBHGKBR-RXMQYKEDSA-N 250.262 0.922 0 50 CCAA Cc1cc(=O)c2cccc(C(=O)N(CCO)CCO)c2[nH]1 97259351 PCIVUYFWZGSZGR-UHFFFAOYSA-N 290.319 0.263 0 50 CCAA Cc1nnc(N2CCC[C@@](O)(CN(C)C)CC2)o1 95380674 NBTFCYXPCVNLGC-LBPRGKRZSA-N 254.334 0.661 0 50 CCAA CCc1ncc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)cn1 95357805 ARBMCBQFLNGSEZ-STQMWFEESA-N 290.367 0.632 0 50 CCAA C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CC[C@H]1C(=O)O 626764320 HVLLWXUMHNLSJR-LMLFDSFASA-N 297.355 0.393 0 50 CCAA C[C@@H](CC(F)(F)F)NCc1noc(C(N)=O)n1 534642706 PEIJLDUVCNDUMO-BYPYZUCNSA-N 252.196 0.599 0 50 CCAA Cn1cncc1C(=O)N1CCN(CC(F)(F)F)CC1 278792126 YNBZQYJYWSEMMR-UHFFFAOYSA-N 276.262 0.740 0 50 CCAA Cc1ccccc1OC[C@@H](O)C(=O)NCCc1ncc[nH]1 534655488 AWSAYVHDSVNCFY-GFCCVEGCSA-N 289.335 0.817 0 50 CCAA CNC(=O)c1noc(CNC(=O)c2cc(C)n(C)c2C)n1 299788154 VPQPQNSIPAIEJL-UHFFFAOYSA-N 291.311 0.315 0 50 CCAA CCN1CCC(N[C@H]2COC[C@@H]2N2CCN(C)CC2)CC1 823107052 GPFFIHASIAOSIN-HOTGVXAUSA-N 296.459 0.075 0 50 CCAA O=C(CN1CCC[C@@H](O)C1)N1CCN(CC2CCC2)CC1 584900996 NDDOPDKLUOQPRM-OAHLLOKOSA-N 295.427 0.387 0 50 CCAA CCNC(=O)N1CCC(N[C@H]2CCNC(=O)CC2)CC1 670472623 JOPXDQMWTPDAOV-LLVKDONJSA-N 282.388 0.439 0 50 CCAA O=C(Cn1cc(C2CC2)nn1)NOCc1ccccn1 1334185570 DCBQIJZNSOENOW-UHFFFAOYSA-N 273.296 0.799 0 50 CCAA COc1nccc(C(=O)N2C[C@@H]3CCC[C@]3(N)C2)n1 1342286962 FDLLLSMMNLEXCO-ZANVPECISA-N 262.313 0.439 0 50 CCAA NCc1ccc(C(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)cc1 1565512014 YJCRCQFXHUBSFU-STQMWFEESA-N 273.336 0.695 0 50 CCAA COC[C@H](NC(=O)Cn1nc(C)cc1N)c1ccnn1C 952972710 QTWJNNCDZDYQFK-JTQLQIEISA-N 292.343 0.011 0 50 CCAA Cc1cc(C(=O)N2CSC[C@H]2C(=O)O)nn1C 304175757 TVVXNYJGUIPSLU-QMMMGPOBSA-N 255.299 0.328 0 50 CCAA C[C@H]1[C@@H](C(=O)NCC2(C(N)=O)CCOCC2)C1(F)F 408230860 JIVALIBDUPRECQ-YUMQZZPRSA-N 276.283 0.286 0 50 CCAA COC[C@@H]1CN(C(=O)C2CC(C)(O)C2)C[C@H](C)O1 408455947 FTASAMFCVYPUIM-URAGZPLESA-N 257.330 0.410 0 50 CCAA CCOCc1cccc(S(=O)(=O)Nc2nnn(C)n2)c1 1475644333 GXPMCJHWMQTLFJ-UHFFFAOYSA-N 297.340 0.547 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2F)CCN1 187157078 VQOAXDQEBGTJJS-MRVPVSSYSA-N 276.308 0.947 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(CCC2CCOCC2)C1 643818242 KDXSJDHGBJCVSA-HNNXBMFYSA-N 284.400 0.766 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCCC[C@H]1C(=O)OCC 900443593 WSKDXMBIUVLEQU-LBPRGKRZSA-N 296.367 0.965 0 50 CCAA Cc1ccc(Cn2cnc([C@@H]3COCCN3)n2)c(C)n1 579343368 URWOXBGHYAQDMD-ZDUSSCGKSA-N 273.340 0.999 0 50 CCAA Nc1nc(Cl)c(N)c(NCCSCCCO)n1 1639440790 WNAGWLJTDHZBJS-UHFFFAOYSA-N 277.781 0.822 0 50 CCAA CN[C@H]1CCN(Cc2cc(=O)n3c(C)cccc3n2)C1 1615046072 UIBSAELJCKWJFD-LBPRGKRZSA-N 272.352 0.797 0 50 CCAA Cc1n[nH]c([C@H]2CN(C[C@H]3CCCO3)CCO2)n1 246994120 NJGDWCFDZGYVJW-GHMZBOCLSA-N 252.318 0.665 0 50 CCAA COC[C@H]1CCCN(S(=O)(=O)NCC2(C)COC2)C1 1506416762 FGLQROXAZGGYND-NSHDSACASA-N 292.401 0.216 0 50 CCAA CC(C)n1ncc(=NC(=O)CSc2nncn2C)[nH]1 1875249066 BWZXVUNVTIJGRS-UHFFFAOYSA-N 281.345 0.140 0 50 CCAA Cc1nncn1CCN1CCOC2(CCNCC2)C1 1529167701 QMTPDORKTOMSJM-UHFFFAOYSA-N 265.361 0.041 0 50 CCAA CCn1ccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)n1 1529119100 BNLQATNBQBBQJR-IUODEOHRSA-N 287.367 0.728 0 50 CCAA CC(C)N1CC[C@@H](NC(=O)c2ncccc2O)C1=O 114799756 AKHQVSDHVZYYDW-SECBINFHSA-N 263.297 0.526 0 50 CCAA COc1nc(NCCN2CCN(C)CC2)ncc1F 1704307151 UXNRMULPEUUJJB-UHFFFAOYSA-N 269.324 0.284 0 50 CCAA Cn1cnc(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)c1 1704277928 YXIBLXIWVCCEEY-OCCSQVGLSA-N 286.335 0.491 0 50 CCAA Cc1cccc(CCN2CCN(C(=O)CN(C)C)CC2)n1 573320347 UMAQUVSNCIUVCF-UHFFFAOYSA-N 290.411 0.638 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)COCC(F)(F)F 364948004 BTENRXFCQNJIJZ-ZETCQYMHSA-N 268.235 0.302 0 50 CCAA O=C(CCc1cnccn1)N1CCC([C@@H](O)CO)CC1 1772817111 HZHIXFQTSJOXNX-ZDUSSCGKSA-N 279.340 0.001 0 50 CCAA CC(C)=CCN1CCCN(C(=O)CN2CCOC2=O)CC1 1772816510 OLZGSWYQSULCJU-UHFFFAOYSA-N 295.383 0.939 0 50 CCAA CN(C)c1nccnc1N1C[C@@H]2CNC(=O)C[C@@H]2C1 1775981986 FNOMOHZSNJRXFR-ZJUUUORDSA-N 261.329 0.115 0 50 CCAA NC(=O)CC[C@@H](NC(=O)NC1CCCCC1)C(=O)O 5725539 QAIUXEOCNPPITQ-SECBINFHSA-N 271.317 0.337 0 50 CCAA CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N 12648890 AIZZFYPYPULRFL-IUCAKERBSA-N 258.318 0.744 0 50 CCAA CCOC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 16697910 NFRFKIUDOXVXNV-LBPRGKRZSA-N 263.293 0.977 0 50 CCAA O=c1ccc(O)nn1CN1CCc2ccccc2C1 19809724 VMTACTMCEADZKB-UHFFFAOYSA-N 257.293 0.965 0 50 CCAA CCCNS(=O)(=O)c1ccc(OCC(N)=O)c(C)c1 6730500 VUJHKUVUOIGZPI-UHFFFAOYSA-N 286.353 0.547 0 50 CCAA O=C(NCCNC(=O)C(F)(F)F)C(F)(F)F 1602828 BSMXDULOVFUYER-UHFFFAOYSA-N 252.114 0.343 0 50 CCAA Cn1ccc(NC(=O)CNC(=O)c2cc(Cl)cn2C)n1 521394068 SZIMGAVODXTHIS-UHFFFAOYSA-N 295.730 0.781 0 50 CCAA C[C@H]1CNCCN1C(=O)c1ccc(-n2cncn2)c(F)c1 125422457 WPUHWKVHEDGQIZ-JTQLQIEISA-N 289.314 0.840 0 50 CCAA O=C(COCc1ccccc1)N1CC[C@H](CO)[C@H](O)C1 545281668 REERWFFWBWPHEI-ZIAGYGMSSA-N 279.336 0.405 0 50 CCAA O=C(O)CN(CC1CC1)C1CC(NC(=O)[C@@H]2CCOC2)C1 262708915 KTMQSKSUKCRHHB-PNESKVBLSA-N 296.367 0.467 0 50 CCAA C[C@@H]1OC(=O)N[C@@H]1C(=O)NCC(=O)c1cccc(F)c1F 869561549 PSQJIKZLOSUGBC-KGFZYKRKSA-N 298.245 0.761 0 50 CCAA Cc1cnc(C2(NS(=O)(=O)c3ccnn3C)CCC2)[nH]1 952884086 WIKPYTQNBQYTQP-UHFFFAOYSA-N 295.368 0.809 0 50 CCAA COCc1nc([C@@H]2COCCN2C(=O)C2CC2)no1 1875258216 ZCXAEVRVAIENAO-VIFPVBQESA-N 267.285 0.526 0 50 CCAA CCCC[C@@H]1CCN(C(=O)C(=O)N2C[C@H](OC)[C@H](N)C2)C1 1875335342 DCXWMOLEJTTYSK-UPJWGTAASA-N 297.399 0.210 0 50 CCAA NC/C=C/C(=O)NCC(=O)N1CCc2ccccc2C1 1875338202 PQKDFGGRHFUKIT-ZZXKWVIFSA-N 273.336 0.202 0 50 CCAA O=C(CO)NCCc1c(C(=O)O)[nH]c2ccccc12 1776003165 DEJNCDUGUUNDND-UHFFFAOYSA-N 262.265 0.517 0 50 CCAA Cc1ncc(C(=O)N2CCC(F)(F)[C@H](CO)C2)c(N)n1 1776002437 PTQKXDFEQDJSRB-QMMMGPOBSA-N 286.282 0.457 0 50 CCAA C=CC(=O)N[C@@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C 1776000272 MCXTZHNTWCJMLC-WDEREUQCSA-N 274.386 0.737 0 50 CCAA CN1C[C@H](NC(=O)c2[nH]nc3c2CCCC3)CC1=O 20452994 DULOXOREOJEIFR-MRVPVSSYSA-N 262.313 0.249 0 50 CCAA O=C(N[C@H]1CCCS(=O)(=O)C1)c1ccnc(C(=O)O)c1 168935125 OEARDMAQUBDYCI-VIFPVBQESA-N 298.320 0.087 0 50 CCAA CC(C)[C@H](NC(=O)c1nn(C)cc1Cl)C(=O)O 426412984 PCVYERYPIYYTLO-ZETCQYMHSA-N 259.693 0.913 0 50 CCAA CCCN1CC[C@H](NC(=O)c2cnc(N)s2)C1 584885629 KYXUKGFZYFBWLB-QMMMGPOBSA-N 254.359 0.939 0 50 CCAA CCOC(=O)c1c[nH]c2cc(Br)nn2c1=O 364277909 XHLBRTGRONOWOM-UHFFFAOYSA-N 286.085 0.962 0 50 CCAA O=C(NCc1ccon1)[C@@]12CNC[C@]1(F)CCOC2 2325792018 UFMWLBBALCGQMU-NWDGAFQWSA-N 269.276 0.009 0 50 CCAA Cn1nc2c(c1C(=O)N1CC[C@@H]3[C@H](C(=O)O)[C@@H]3C1)CCC2 910852345 UUPIKIQULVDDLI-XRNSZHNASA-N 289.335 0.702 0 50 CCAA O=C(Cc1ccc(F)c(F)c1)N1C[C@H]2COC[C@@]2(CO)C1 2356169397 ANOVUAPOTAGPBS-NHYWBVRUSA-N 297.301 0.975 0 50 CCAA COCCOCC(=O)N1CCN(CC(F)(F)F)CC1 54483113 HJVYASCVAXBAKQ-UHFFFAOYSA-N 284.278 0.356 0 50 CCAA CSCc1noc(CN2C[C@@H](C(=O)O)CC2=O)n1 65405990 WAJRJMQVTIQJCB-LURJTMIESA-N 271.298 0.366 0 50 CCAA C[C@H](O)c1cccc(N2Cc3cnn(CCO)c3C2)n1 67910290 BRHKXZYVHSEDKP-JTQLQIEISA-N 274.324 0.844 0 50 CCAA CCc1noc(CC)c1CN1C(=O)[C@@H]2COCCN2C1=O 348940071 NMEMNDKAJBJILX-NSHDSACASA-N 293.323 0.962 0 50 CCAA CC[C@H](C(=O)N1CC[C@](C)(NCC(=O)O)C1)N(CC)CC 328621722 ARBLAURKACKRLY-DOMZBBRYSA-N 299.415 0.772 0 50 CCAA O=C(CCN1CCCCO1)NCCSc1ncn[nH]1 63835659 PHZLZGVIBBRSSC-UHFFFAOYSA-N 285.373 0.431 0 50 CCAA CC[C@H](C(=O)N[C@H]1CCC[C@@H]1CN)N1CCCC1=O 236872233 QEKRXNUEEFTZLE-GRYCIOLGSA-N 267.373 0.631 0 50 CCAA CO[C@H]1C[C@@H](CO)N(CC(=O)NCC2CCCCC2)C1 330549926 RMBOIPBJJDBVSB-KBPBESRZSA-N 284.400 0.765 0 50 CCAA CN(Cc1cccnc1)C(=O)C(C)(C)S(C)(=O)=O 330746268 WFYLQLZTYRIOOE-UHFFFAOYSA-N 270.354 0.863 0 50 CCAA CN(CC(=N)O)C[C@H]1CN(C(=O)c2cc[nH]c2)CCO1 331254013 WHRPJPMKQAINBW-NSHDSACASA-N 280.328 0.323 0 50 CCAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1O 71614190 VVSWDMJYIDBTMV-PMMQCXHCSA-N 282.292 0.194 0 50 CCAA CN(C)CCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 39917974 JOIQBAFHBFHQSQ-SNVBAGLBSA-N 255.362 0.311 0 50 CCAA O=C([C@H]1Cc2cc(F)ccc2O1)N1CC(=O)N(C2CC2)C1 365751416 BTGDAUXGZQXHSJ-CYBMUJFWSA-N 290.294 0.920 0 50 CCAA CCn1cnnc1CCNC(=O)c1cnn2c1CCCC2 72127353 CTMRXPIUQCXYGJ-UHFFFAOYSA-N 288.355 0.803 0 50 CCAA Cc1ccc(C(=O)N2CCN[C@@H](C(=O)O)C2)c(O)c1 71747113 KYWWFGLBCXHNCA-SNVBAGLBSA-N 264.281 0.199 0 50 CCAA CCOC(=O)C(=O)Nc1ccc(O)c(C(=O)O)c1 71772800 QXDCQCVDGANBQO-UHFFFAOYSA-N 253.210 0.592 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cccc3cc[nH]c23)C1 284677572 VKEFZARDJMTXDD-JQWIXIFHSA-N 287.319 0.883 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1cnn2ncccc12 263401048 GOABKQSSKJBRKQ-SNVBAGLBSA-N 260.253 0.419 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCCO[C@@H](C)C2)cn1C 426739780 NYVBMQZDQFHMHW-NSHDSACASA-N 264.325 0.945 0 50 CCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)NCc2ccoc2)C1 426399012 KJROAIPPWUYAHC-SNVBAGLBSA-N 287.341 0.100 0 50 CCAA O=C1CCNC(=O)N1CC(=O)N1CCc2ccccc21 95518421 CACOAJQPVSWCQH-UHFFFAOYSA-N 273.292 0.518 0 50 CCAA Cc1nnc2n1[C@@H](C)CN(C(=O)CCn1cncn1)C2 97295027 KLAYOXCTKFPUSZ-VIFPVBQESA-N 275.316 0.172 0 50 CCAA Cc1nn(C)c2nc(N3CCN(C)[C@H](CO)C3)sc12 96167125 MDOSEUAOQKBUHF-VIFPVBQESA-N 281.385 0.451 0 50 CCAA CC(C)(C)OC(=O)N1CC(N2CCS(=O)(=O)CC2)C1 95627009 VTLZFUQRXCVISU-UHFFFAOYSA-N 290.385 0.336 0 50 CCAA COC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C 97757388 SQXMHHJVEHPDJY-MRVPVSSYSA-N 288.348 0.316 0 50 CCAA O=C(Cn1cnnn1)N[C@H]1CCCOc2cc(F)ccc21 181641093 YALBNJYAFUFFIK-NSHDSACASA-N 291.286 0.842 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)CS(=O)(=O)C2CCCC2)C1 299745347 YFDHQXNMLXRBLV-VIFPVBQESA-N 289.353 0.277 0 50 CCAA COCC(C)(C)CNC(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 534648017 HTACFEOWBJMQFJ-SECBINFHSA-N 285.344 0.058 0 50 CCAA Nc1n[nH]c(CCNC(=O)N2CCc3ccccc3C2)n1 534651138 OVDIWJZXRMHOKP-UHFFFAOYSA-N 286.339 0.697 0 50 CCAA Cn1nc2cccc(S(=O)(=O)N3CCC(N)CC3)c2n1 534654278 HMBMJIYZYHXZIN-UHFFFAOYSA-N 295.368 0.080 0 50 CCAA CC[C@@H](C)C(=O)NCc1nnc2n1CCNCC2 299784332 OXFGPACRUPORJN-SECBINFHSA-N 251.334 0.086 0 50 CCAA CC(C)N(C)C[C@@H](C)NCCc1nnc(O)n1C 821197320 RFWANBAHKASLLC-SNVBAGLBSA-N 255.366 0.382 0 50 CCAA CC[C@H](NC(=O)Cn1cnnn1)c1ccc(C)cn1 584890637 ZCWNMCYKMBPOAG-JTQLQIEISA-N 260.301 0.644 0 50 CCAA CN(CC(=O)N1CCC2(CCCO2)CC1)C1CCNCC1 584903024 DYXJNARJIWGTDR-UHFFFAOYSA-N 295.427 0.842 0 50 CCAA O=C(O)[C@H]1[C@H](C(=O)N2CCCCC2)[C@H]2C=C[C@H]1O2 239235532 WDBSFMAGIDPLAF-GWOFURMSSA-N 251.282 0.653 0 50 CCAA Cn1cncc1-c1cnc(N2CCC[C@@H](O)C2)nc1 629761012 QRZAYXGURFMKDW-LLVKDONJSA-N 259.313 0.838 0 50 CCAA CCn1ccnc1[C@H]1OCC[C@@H]1NS(=O)(=O)C1CC1 275383201 YVCGXIZSKHCQOO-QWRGUYRKSA-N 285.369 0.815 0 50 CCAA C[C@]1(C(=O)N2CC(OC(F)F)C2)CCC(=O)NC1 548827969 ZDWCKPDOQAZUQL-NSHDSACASA-N 262.256 0.353 0 50 CCAA N=c1nc(N2CCN(C[C@@H]3CCCO3)CC2)s[nH]1 407949548 QJGPTVQDQACYLX-VIFPVBQESA-N 269.374 0.252 0 50 CCAA Cc1cncnc1N1CC[C@H](c2cc(O)nc(O)n2)C1 641650281 LKJFWLYQVSSAQY-VIFPVBQESA-N 273.296 0.980 0 50 CCAA Cc1nnc(N2CC[C@@H](CS(C)(=O)=O)C2)nc1C 644141757 JWKAVRSUIAPIIY-SNVBAGLBSA-N 270.358 0.359 0 50 CCAA Cc1nccc(CCC(=O)N2CCOC[C@H]2C(=O)O)n1 647733488 FXWDYESBCWJJDP-NSHDSACASA-N 279.296 0.030 0 50 CCAA CO[C@]1(CNc2cc3nncn3c(C)n2)CCOC1 576208411 PUZMFOWYLJRIRF-LBPRGKRZSA-N 263.301 0.650 0 50 CCAA O=C(O)C1CC(S(=O)(=O)N2CCSCC2)C1 723272858 YSUDGWBJWYPWCG-UHFFFAOYSA-N 265.356 0.228 0 50 CCAA O[C@@]1(CN2CCN(c3nccs3)CC2)CCCNC1 72453883 RZGXELLUXFQGKN-ZDUSSCGKSA-N 282.413 0.380 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1CCCc2n[nH]cc21 584984467 YWWKLSQWVLKJRR-UHFFFAOYSA-N 283.096 0.220 0 50 CCAA Cn1cccc1C(=O)N1CCN(CC(F)(F)CO)CC1 585130008 FBZXRMKXCBJMMO-UHFFFAOYSA-N 287.310 0.411 0 50 CCAA Cc1cc(COCC(=O)N[C@]23CCC[C@H]2NCC3)no1 1615545331 GOHVGULLMGXZOG-OCCSQVGLSA-N 279.340 0.900 0 50 CCAA O=C(NCCn1cnnc1C1CC1)[C@H](O)C1CC1 1615557160 INVSTMQTYYEJQV-SNVBAGLBSA-N 250.302 0.043 0 50 CCAA Cc1noc(C)c1C(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1615747164 CZKDVTMJTBARNT-UWVGGRQHSA-N 263.297 0.841 0 50 CCAA O[C@H]1CN(Cc2cccnc2)C[C@@H]1Cc1cnccn1 1615739802 LEJJNURGROHFGI-ZFWWWQNUSA-N 270.336 0.907 0 50 CCAA CCOCCC(=O)N1C[C@H](Cc2cc(C)no2)[C@@H](O)C1 1616077347 CYTJXIMOCZHWRM-AAEUAGOBSA-N 282.340 0.771 0 50 CCAA Cc1nc(CC(=O)Nc2nnnn2C)c(C)s1 904195046 QLYJTGIWBXDRQH-UHFFFAOYSA-N 252.303 0.465 0 50 CCAA O=C(O)c1nccnc1NCCCN1CCC(O)CC1 1506421539 JDJMNGPFRPKROV-UHFFFAOYSA-N 280.328 0.434 0 50 CCAA COc1ccc(CC(=O)NC(=S)N2CCOCC2)cc1 587219 NDJCCYZODBGVEI-UHFFFAOYSA-N 294.376 0.971 0 50 CCAA CN1CCC[C@]2(CO)CCN(Cc3cncnc3)C[C@@H]12 1704337574 ALBKPSVUAYLVCZ-HUUCEWRRSA-N 276.384 0.755 0 50 CCAA CCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 2065794 PINGWVFRAYFUSL-UHFFFAOYSA-N 282.321 0.357 0 50 CCAA CCc1cc(-c2nc([C@@H](C)NC(N)=O)no2)n[nH]1 350532992 PVLNPPDXNIOYON-RXMQYKEDSA-N 250.262 0.751 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC[C@H](OCC(C)C)C1 860038971 CDZDFYXIEQUIBX-LBPRGKRZSA-N 268.357 0.904 0 50 CCAA C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1C(=O)O 263257251 FVCGJDPJQXOUEG-OUAUKWLOSA-N 271.313 0.646 0 50 CCAA O=C(c1ccsc1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772710361 QNZCKWOYVREHPV-NXEZZACHSA-N 253.323 0.421 0 50 CCAA COc1cc(CN2C[C@H]3[C@H](C2)C3(CO)CO)ccn1 1772809500 XPPCSSBSCYYXLW-RYUDHWBXSA-N 264.325 0.123 0 50 CCAA CS(=O)(=O)N(CC(N)=O)Cc1ccc(F)cc1 4858102 BHMGGGRGGYJMAX-UHFFFAOYSA-N 260.290 0.073 0 50 CCAA O=C(c1cn2cccnc2n1)N1C[C@H]2CCCN[C@H]2C1 247888718 XTEKTQVRULULKF-MNOVXSKESA-N 271.324 0.553 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1cc(-n2cccn2)ccn1 238080518 SISPYBKZBZTJDY-GFCCVEGCSA-N 286.291 0.957 0 50 CCAA COCc1cccc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)n1 247828271 GLOKZLFBCUDVRW-OCCSQVGLSA-N 280.324 0.186 0 50 CCAA O=C1CC[C@@H](C(=O)Nc2ccc3c(c2F)CCNC3)N1 261679073 HHHOMIQIDUFGHB-NSHDSACASA-N 277.299 0.689 0 50 CCAA COc1ccc(C(=O)N2CCOC[C@@H]2C(=O)O)c(C)c1 262482990 KSWNNIDTFYABGL-GFCCVEGCSA-N 279.292 0.929 0 50 CCAA CN(C)CCC[C@H]1CN(C(=O)C2(C(=O)O)CC2)CCO1 585095656 YRNALPHAXCBQNQ-NSHDSACASA-N 284.356 0.420 0 50 CCAA COC[C@H](O)CN1CCNC(=O)C[C@H]1c1ccccc1 126506694 MALYCLCLBLRVGZ-KGLIPLIRSA-N 278.352 0.557 0 50 CCAA CCN(CC(N)=O)C(=O)c1nn(C)c2c1C[C@H](C)O[C@@H]2C 1875300175 PFCBSFQVUYFSQR-DTWKUNHWSA-N 294.355 0.390 0 50 CCAA COc1nccc(C(=O)N2C[C@@H](N)C3(CCC3)C2)n1 1775961921 IPYHHYBPYRLSLP-SNVBAGLBSA-N 262.313 0.439 0 50 CCAA O=C(CN1CCO[C@@]2(CCOC2)C1)NCc1cccs1 185210102 LLXHARAGZVRDIA-AWEZNQCLSA-N 296.392 0.856 0 50 CCAA COCc1nc(CNc2cc(OC)ncn2)no1 65489332 WSBBUBBPIUBRFH-UHFFFAOYSA-N 251.246 0.627 0 50 CCAA O=C(O)CCCNC(=O)CN1Cc2ccccc2C1 426383862 PIYMNKZVHODEKA-UHFFFAOYSA-N 262.309 0.983 0 50 CCAA c1ccc2[nH]c(CN3CCO[C@H](c4nn[nH]n4)C3)nc2c1 2100534688 UDHWMVYPZZDIDI-NSHDSACASA-N 285.311 0.650 0 50 CCAA C[C@H]1C(C(=O)N2C[C@H]3C(C(=O)O)=NO[C@H]3C2)[C@@H]1C 2325802846 AGUGMYAZTKHOHZ-XUTVFYLZSA-N 252.270 0.186 0 50 CCAA CC(=O)NC[C@H]1CCCCN1Cc1nnc2cccnn12 2325803881 HYXTZOJWGCOMRL-GFCCVEGCSA-N 288.355 0.615 0 50 CCAA CCCCN1C(=O)[C@H]2N=C(O)N[C@@H]2N(CC)C1=O 6051047 RCDWSMRVDGNVAD-JGVFFNPUSA-N 254.290 0.283 0 50 CCAA COc1ccc(NC(=O)C[S@](=O)CC(=O)O)cc1 8887924 PCRAZKINHYKMDI-GOSISDBHSA-N 271.294 0.467 0 50 CCAA Cc1c(C(=O)OCCO)[n+](=O)c2ccccc2n1O 101211344 ZKDPFNGMOUTNTM-UHFFFAOYSA-N 265.245 0.251 0 50 CCAA in-man O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(CCO)C(=O)[C@@H]21 104320408 BYJRWLZLNXNCIP-AHLTXXRQSA-N 285.299 0.434 0 50 CCAA COCCCNS(=O)(=O)c1cccc(C(=O)OC)c1 24257888 QPRVCZFJIOBMNM-UHFFFAOYSA-N 287.337 0.788 0 50 CCAA CCN1CCC[C@](C)(C(=O)NCCCn2cncn2)C1 65529207 KHDXJEXFBOFXAO-AWEZNQCLSA-N 279.388 0.906 0 50 CCAA O=C([C@@H]1CCCO1)N1CCC2(CC1)NCCc1[nH]cnc12 65432811 LIFCOAZNYFMNIL-LBPRGKRZSA-N 290.367 0.552 0 50 CCAA CC(=O)N1CCO[C@H](CNC(=O)CCc2cccnc2)C1 67787817 DGDOMILHEPZSPZ-CQSZACIVSA-N 291.351 0.378 0 50 CCAA CSCC[C@@H](NC(=O)C1CCOCC1)C(=O)O 20249643 CEJHNCJVJMXCQQ-SECBINFHSA-N 261.343 0.736 0 50 CCAA CN1CC[C@@H](N2C(=O)C3(CCSCC3)N=C2O)C1=O 330304933 QGKPHZFNACHLAY-MRVPVSSYSA-N 283.353 0.239 0 50 CCAA C[C@H](C(=O)O)[C@@H](C)NC(=O)c1cnc(Cl)cn1 230070039 HCOMGZIOYMVGNO-NTSWFWBYSA-N 257.677 0.969 0 50 CCAA Cc1onc(N)c1S(=O)(=O)N1CCC[C@H](N(C)C)C1 281099721 FBMRQRSMKUPIQM-VIFPVBQESA-N 288.373 0.280 0 50 CCAA Cc1nc(CN2C[C@H]3[C@@H](C2)OCCN3C)oc1C 131248161 BSXFBBDNBLXETL-NWDGAFQWSA-N 251.330 0.806 0 50 CCAA Cn1ccc(CN2CCC[C@H]2c2nc(C(N)=O)no2)c1 328627019 FRUMICDZYQCOTA-JTQLQIEISA-N 275.312 0.844 0 50 CCAA O=C(NCCN1CCNC1=O)c1cnc2ccccc2c1 219930140 WSHQLTGYUKGKRH-UHFFFAOYSA-N 284.319 0.990 0 50 CCAA O=C(/C=C/c1ccc(F)c(F)c1)N1C[C@H](O)C[C@H]1CO 376013362 NKXLJGCPESNTDN-OVXAFGJRSA-N 283.274 0.932 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H](N)C2CCOCC2)CC(C)(C)O1 261603811 AHHJXCPSXFXMDD-PWSUYJOCSA-N 270.373 0.766 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1ccn([C@@H]2CCCNC2)n1 261664297 BGIOAFMJMIPGAI-VXGBXAGGSA-N 277.372 0.242 0 50 CCAA CCn1nncc1CN1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 333125259 AFTOPZWKRZWGIK-XRRVDJEJSA-N 286.335 0.995 0 50 CCAA O=C(Cn1cnnn1)N[C@@H](Cn1ccnc1)c1ccccc1 219572444 QITVVOOQRRTKGS-ZDUSSCGKSA-N 297.322 0.427 0 50 CCAA O=C(N[C@H]1CCc2nnnn2CC1)c1ccc2cncn2c1 333656725 ANQOGSGYAMCPJI-NSHDSACASA-N 297.322 0.456 0 50 CCAA CCOC(=O)c1nccn1CCSc1nncn1C 71707795 OUSJXYONWJFVFX-UHFFFAOYSA-N 281.341 0.981 0 50 CCAA Cc1nonc1CN1[C@@H](C)[C@H](C)N(C)C(=O)[C@H]1C 521396525 PQEJJGLMYUNNRY-LPEHRKFASA-N 252.318 0.818 0 50 CCAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)N1CCCCC1 131801462 HQFYUTYYNMAHOH-GHMZBOCLSA-N 261.391 0.529 0 50 CCAA C[C@@H]1CN(S(C)(=O)=O)CCN1C1CCN(C)CC1 374267331 ATZRRNOXHJWJHM-LLVKDONJSA-N 275.418 0.046 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)N1CC(=O)N(CC)C1 336117911 VAWNDGMKXCCHIB-MNOVXSKESA-N 254.330 0.840 0 50 CCAA CN1CCOC[C@H](CNc2cncc(C(=O)N(C)C)n2)C1 72151014 YENSTCUBYHACRF-LLVKDONJSA-N 293.371 0.169 0 50 CCAA CC(=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 82230363 VQIUVCYQSQEKPX-UHFFFAOYSA-N 275.356 0.745 0 50 CCAA COc1cccnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 528032903 NLQBGCIXRKAPPO-UWVGGRQHSA-N 263.297 0.184 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N[C@H]1CCC(=O)N(C)C1 82284690 STKQTVTZFKTDER-JTQLQIEISA-N 264.329 0.388 0 50 CCAA CC1=NO[C@](C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)C1 426602525 OZGOGHHCSJFLAR-HAYRHPOISA-N 252.270 0.330 0 50 CCAA Cc1nc(C)c(C)c(N2C[C@H](CCO)[C@@H](N)C2)n1 92028560 ZRSRGVCKEMFJFA-RYUDHWBXSA-N 250.346 0.548 0 50 CCAA CC(=O)N1CCC[C@H](C(=O)NCCn2cccc2)C1 95386806 UGGVVAGCBUMRAD-ZDUSSCGKSA-N 263.341 0.863 0 50 CCAA Cc1ncc(C(=O)NCCCOC(C)C)c(=O)[nH]1 92046116 KMNNDCWXZWRLBP-UHFFFAOYSA-N 253.302 0.623 0 50 CCAA CN(C)c1nc(NCCN2CCOC2=O)ncc1F 95378957 HWBNWKKXNGVQMJ-UHFFFAOYSA-N 269.280 0.546 0 50 CCAA COc1cccc(C)c1NC(=O)N(C)C[C@H](O)CO 95520245 BMWSQSQVSMAJOV-JTQLQIEISA-N 268.313 0.821 0 50 CCAA Cn1cc(O[C@@H]2CN(CCOC3CCC3)C[C@H]2O)cn1 625628836 HOPCCUWHVJOIEI-ZIAGYGMSSA-N 281.356 0.413 0 50 CCAA Cc1ccc2[nH]nc(CNC(=O)CN3CCOCC3)c2c1 299794251 JOACUZQVEPBNMQ-UHFFFAOYSA-N 288.351 0.820 0 50 CCAA C[C@@H](Cn1cccn1)NCC1(N(C)C)CCN(C)CC1 584888221 PIVCDMUIVPMQIW-AWEZNQCLSA-N 279.432 0.887 0 50 CCAA Cn1nc(CO)c2c1CCN([C@@H]1CCCOC1)C2 584898784 DUKXEGSIBHZXCA-SNVBAGLBSA-N 251.330 0.450 0 50 CCAA Cc1nnnn1CCC(=O)NCc1cnc2c(c1)CCC2 584897349 BXMYDZARWJAMDI-UHFFFAOYSA-N 286.339 0.572 0 50 CCAA CC(=O)N[C@@H]1C[C@@H](C(=O)O)C[C@@H]1n1cc(C2CC2)nn1 685942375 SDUYXLDJOGKSLQ-FOGDFJRCSA-N 278.312 0.696 0 50 CCAA Cc1nnc(Cn2nnc(C(=O)N3CCCC3)c2C)o1 1361853764 HPGZLESCSXAGRM-UHFFFAOYSA-N 276.300 0.562 0 50 CCAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1cnn[nH]1 1565525968 CZOLSRFKWJWXFE-QWRGUYRKSA-N 289.295 0.166 0 50 CCAA N=c1nn[nH]n1CC(=O)N1CC[C@H]1c1ccc(F)cc1 952868067 XPLPHUJMOAFARM-JTQLQIEISA-N 276.275 0.198 0 50 CCAA CC[C@H](COC)N[C@H]1CCCN(c2nccn(C)c2=O)C1 275428722 FDXOLVAUFFGSNU-OLZOCXBDSA-N 294.399 0.764 0 50 CCAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cc[nH]n2)cn1 275516328 XJWXUYNXOZDLAZ-CMPLNLGQSA-N 275.312 0.793 0 50 CCAA Cc1ccc(C[C@@H](CNS(C)(=O)=O)C(=O)O)cc1 548542553 NQYJFKAZLDSYFK-NSHDSACASA-N 271.338 0.788 0 50 CCAA CC(C)[C@@](C)(O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 408259848 ASZVYCRDKKWASA-GIPNMCIBSA-N 254.330 0.130 0 50 CCAA CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N1CCCCCC1 408388573 VVMLIYCSWURQOQ-CHWSQXEVSA-N 281.400 0.893 0 50 CCAA C[C@H]1C[C@H](CN2CCC(S(N)(=O)=O)CC2)CCO1 408358611 GXEUFFIUJIMYRR-WDEREUQCSA-N 276.402 0.554 0 50 CCAA CO[C@@H]1CN(C(=O)CSCC(N)=O)CC[C@@H]1C 187992409 OLKQGXWRNWXGRU-DTWKUNHWSA-N 260.359 0.088 0 50 CCAA O=C(CCn1c(O)nc2ccccc21)N1C[C@H](O)[C@@H](F)C1 1615696775 QXFIDQALSCKPDM-CABZTGNLSA-N 293.298 0.673 0 50 CCAA O=S1(=O)CCC(Nc2ncnc3cc[nH]c23)CC1 1772807072 PKBADOQAMMYWAI-UHFFFAOYSA-N 266.326 0.947 0 50 CCAA O[C@H]1CNCC[C@@H]1n1ccnc1-c1cnsc1 1875245652 KGCLWFHDFJGUMU-UWVGGRQHSA-N 250.327 0.902 0 50 CCAA CN(C)CCc1nnc(NC(=O)[C@@H]2CCCNC2)s1 1529133845 CUZLHZMQXYOWGV-SECBINFHSA-N 283.401 0.580 0 50 CCAA NS(=O)(=O)c1cnc(N2CCC[C@H](F)C2)s1 408226372 NLHDYZDQNKNQSI-LURJTMIESA-N 265.335 0.729 0 50 CCAA Cc1nc(=NC[C@@H](CO)Cc2ccco2)n(C)[nH]1 1704336672 JFJHFSJGMBCFET-JTQLQIEISA-N 250.302 0.402 0 50 CCAA CC(=O)Nc1ncc(S(=O)(=O)N2CCOCC2)s1 12379792 BSGVACGFGCXGNA-UHFFFAOYSA-N 291.354 0.122 0 50 CCAA COC(=O)c1sc(NC(=O)C(=O)N2CCC[C@H](C)C2)nc1C 160180117 JVJDECHGJBWVKD-GFCCVEGCSA-N 325.390 1.435 0 50 CCAA C[C@@H]1CCc2c(sc3ncn(C[C@H](O)CO)c(=O)c23)C1 2889568 IQZZQILIOMSESF-BDAKNGLRSA-N 294.376 0.936 0 50 CCAA C[C@@H]1NCCC[C@@H]1C(=O)N1CCNC[C@@H]1c1cccnc1 333418684 SEPIXTDZVDTSFR-AEGPPILISA-N 288.395 0.943 0 50 CCAA NC(=O)C1(CNC(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)CCOCC1 246375232 HBPJOZLSBIZVNJ-JZRPKSSGSA-N 292.379 0.677 0 50 CCAA CNC(=O)c1ccc(CN2C[C@@H](F)C[C@H]2CO)cc1 344869759 ZHWAINZWRQJVBB-STQMWFEESA-N 266.316 0.951 0 50 CCAA CN(C)c1ccnc(N2C[C@H]3COC[C@@H](C2)CN3C)n1 1704312961 JLLPLYSLGCXEEZ-NEPJUHHUSA-N 277.372 0.309 0 50 CCAA O=C(c1ccc(Cl)cn1)N1CC(N2CCOCC2)C1 911649779 UDNCJFNOOSFORO-UHFFFAOYSA-N 281.743 0.892 0 50 CCAA CCc1noc(CN[C@@H]2C[C@@H](O)C23CCOCC3)n1 931792587 OMWFQEHPKODLFJ-NXEZZACHSA-N 267.329 0.652 0 50 CCAA O=S(=O)(N1CCCC1)N1CC[C@H]2CCNC[C@@H]21 1875268557 YTLJISPUZRBSLR-MNOVXSKESA-N 259.375 0.011 0 50 CCAA FC1(F)C[C@@H]2CN(c3nnnn3[C@H]3CCOC3)C[C@H]21 1875290340 UTFLPVGVAYFKRC-HRDYMLBCSA-N 271.271 0.726 0 50 CCAA NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)CCC2)c1ccccn1 1875330541 SIFLVHPTMYRQCE-ZDUSSCGKSA-N 284.319 0.855 0 50 CCAA O=C(NOC1CCC1)[C@H]1CO[C@@H](Cn2cccn2)C1 1875301092 DJBBWIOFBXYBDK-ZYHUDNBSSA-N 265.313 0.889 0 50 CCAA C[C@@H]1C(=O)N(C[C@H](O)CC(F)(F)F)C(=O)[C@H]1C 189385262 VPHIJKVDTOHGHM-LYFYHCNISA-N 253.220 0.941 0 50 CCAA COC[C@]1(C(=O)Nc2ccc(OC)nc2)CCNC1 382405179 YURJEFQDNWKYPB-ZDUSSCGKSA-N 265.313 0.655 0 50 CCAA Cc1occc1C(=O)N1CCC[C@@](O)(C(=O)O)C1 395419313 JKFRRMRTPUKZFZ-LBPRGKRZSA-N 253.254 0.640 0 50 CCAA CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 398494458 HMWDNONDMPBRCP-LLVKDONJSA-N 293.348 0.315 0 50 CCAA CCCc1nnc(N2C[C@H]3COC[C@@H](C2)C(=O)N3C)s1 2100483090 QROSZERFHRTKFF-ZJUUUORDSA-N 296.396 0.784 0 50 CCAA CNC[C@H](C)N=c1[nH]c(=Nc2ccccc2)c2nc[nH]c2[nH]1 2325799942 AIOHRZRWXUSYAU-JTQLQIEISA-N 297.366 0.960 0 50 CCAA O=C1C[C@@H](CC(=O)Nc2ccc(O)c(=O)cc2)CCCN1 2325810416 JWBUUWZWJALGNW-JTQLQIEISA-N 290.319 0.997 0 50 CCAA CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C 193527 SBKPFMGFBDGZAH-ZCFIWIBFSA-N 268.342 0.851 0 50 CCAA COC1(CN(C)C)CCN(c2cncc(C(N)=O)n2)CC1 2356142145 GKADRPQOYATKLY-UHFFFAOYSA-N 293.371 0.123 0 50 CCAA Cn1cnc2nc(N[C@H]3CCCCNC3=O)ncc21 2356143297 BNMWSOTUSFUHDG-QMMMGPOBSA-N 260.301 0.444 0 50 CCAA Cn1cnc2cc(C(=O)N3CCN4C(=O)NC[C@H]4C3)ccc21 133361124 ACZKBCFWZHESBN-NSHDSACASA-N 299.334 0.423 0 50 CCAA O=C1CN(C(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CN1 55325685 CCGZAXLWGIMTSA-LBPRGKRZSA-N 293.367 0.474 0 50 CCAA O=C(Cn1nc2ccccc2n1)NCCn1cccn1 20541363 FYVPTFDZIFHDOI-UHFFFAOYSA-N 270.296 0.444 0 50 CCAA CCc1nccn1CCn1ncc(N(C)C)cc1=O 20861400 ILKOVFFJKUVRQI-UHFFFAOYSA-N 261.329 0.768 0 50 CCAA Cc1nc(CCNC(=O)c2cc(C3CC3)n[nH]2)cc(=O)[nH]1 67907970 RLTBJDPYYVQHHW-UHFFFAOYSA-N 287.323 0.651 0 50 CCAA CCCn1nc2c(cc1=O)CN([C@H]1C[C@@H](C)OC1=O)CC2 229324248 ASTIHFOOPMZESY-MFKMUULPSA-N 291.351 0.715 0 50 CCAA Cc1cc(C(=O)NCCSc2cn[nH]n2)nc(C)n1 67677588 UZJKNOWVIICIDB-UHFFFAOYSA-N 278.341 0.734 0 50 CCAA CC(=O)N[C@@H](C)c1nc2ccccc2n1CC(N)=O 32497939 NCTGYJFWHGULJJ-QMMMGPOBSA-N 260.297 0.719 0 50 CCAA CN(C)C[C@]1(CO)CCCN(Cc2cnc[nH]2)C1 215747403 HBYMINALDZBZJO-CYBMUJFWSA-N 252.362 0.546 0 50 CCAA COCc1cc(NCc2nnn[nH]2)n2nccc2n1 72447319 KHBOOZSVEAVJPS-UHFFFAOYSA-N 260.261 0.001 0 50 CCAA CCc1nc(CN2C[C@@H](O)[C@H](N(C)CC(=O)O)C2)cs1 328607982 XWSQDWFVXCZVLJ-GHMZBOCLSA-N 299.396 0.267 0 50 CCAA O=C(Cn1cccn1)N(Cc1cccnc1)C[C@@H]1CCNC1 328633833 MIGAASUABXDVJO-OAHLLOKOSA-N 299.378 0.916 0 50 CCAA O[C@H](CN1CCCC[C@H]1Cn1cccn1)Cn1cccn1 257365333 MDMPEJCURGNABH-LSDHHAIUSA-N 289.383 0.995 0 50 CCAA NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F 153039906 JPMIHPKFMYXWCF-UHFFFAOYSA-N 259.187 0.991 0 50 CCAA Cc1noc(C)c1CCC(=O)N1CCC[C@](O)(CO)CC1 72159160 ASXPFVOGINBSDA-OAHLLOKOSA-N 296.367 0.960 0 50 CCAA Cc1nc2ncnn2c2ccn(CCCN(C)C)c(=O)c12 72140622 DSNUFSSMIYARHI-UHFFFAOYSA-N 286.339 0.699 0 50 CCAA Cc1cc(N2CCN(C3CCCC3)C(=O)C2)nc(N)n1 32520236 SMPIRAPMNYIRTO-UHFFFAOYSA-N 275.356 0.958 0 50 CCAA CCn1c(=O)c2ccccc2n(CC(=O)OC)c1=O 35287493 QXNJSDJBJBWZTN-UHFFFAOYSA-N 262.265 0.356 0 50 CCAA CN(C)C(=O)C1(CNC(=O)C2(C(=O)O)CC2)CCCC1 154891614 HJWWYCWHBBYQJM-UHFFFAOYSA-N 282.340 0.616 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 237008098 HZFJGBHJCUUTOI-IHRRRGAJSA-N 283.416 0.541 0 50 CCAA CCn1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c(C(C)C)n1 237232511 JJPIRPLZZVSZIY-LLVKDONJSA-N 295.339 0.952 0 50 CCAA CC1(C)CN(C(=O)CN2CCOCC2=O)[C@H]2CCC[C@H]21 334815704 KAUMVIMKWQFEDT-NEPJUHHUSA-N 280.368 0.882 0 50 CCAA COCCn1ccnc1CN1CCCC[C@@H]1CC(N)=O 215205727 NMVFNPJICGHNKS-GFCCVEGCSA-N 280.372 0.759 0 50 CCAA Cc1ccn(CC(=O)N2C[C@@H](F)C[C@H]2CO)c(=O)c1 336430024 FHQKJXZNRWIZNH-QWRGUYRKSA-N 268.288 0.088 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1cnn2c1CCCC2 263277290 JBAZXIXBUUYIQE-SNVBAGLBSA-N 293.323 0.535 0 50 CCAA CC[C@H](Nc1nc(C)nc2c1cnn2C)C(=O)NC 72152802 SBGMQCYLZOTTSR-VIFPVBQESA-N 262.317 0.608 0 50 CCAA C[C@@H](NC(=O)Cn1cccnc1=O)c1nc2ccccc2[nH]1 42024781 PSXKXBQVCQBWDM-SNVBAGLBSA-N 297.318 0.997 0 50 CCAA CN(CC(=O)NCCCc1cccnc1)C(N)=O 426511693 OJVSKUDRWXFRIZ-UHFFFAOYSA-N 250.302 0.141 0 50 CCAA O=C1C[C@]2(CCN(c3noc(-c4ccccc4)n3)C2)C(=O)N1 82109505 BHRFATKITBUMSC-HNNXBMFYSA-N 298.302 0.980 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)NCCCn1ccnc1 95366832 RTTKXCAERCNTIJ-UHFFFAOYSA-N 288.355 0.868 0 50 CCAA Cn1nnnc1SCCNC(=O)c1cc(Cl)c[nH]1 426728289 OBQPVKKSCIUYAT-UHFFFAOYSA-N 286.748 0.714 0 50 CCAA O=S(=O)(NC[C@@H]1CCCN1)c1cccc2c1OCCO2 178919654 LMZYZTXKPUDSBD-JTQLQIEISA-N 298.364 0.488 0 50 CCAA Nc1nnc(CCNC(=O)c2ccc3nccn3c2)s1 91526385 NCJJDURBNHUZCA-UHFFFAOYSA-N 288.336 0.741 0 50 CCAA O=S(=O)(N[C@@H]1CCNC[C@H]1O)c1ccccc1Cl 534652448 KSTLOTNWZIIUOS-NXEZZACHSA-N 290.772 0.341 0 50 CCAA OCC(CO)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 243893529 ARPCGDGQUCJNAE-QEJZJMRPSA-N 265.353 0.311 0 50 CCAA C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCO 524730015 RDUNYMHADUIKKS-NVBFEUDRSA-N 290.319 0.205 0 50 CCAA biogenic COc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)ccn1 534633562 HRGYXXYAEZKLSK-STQMWFEESA-N 291.351 0.683 0 50 CCAA NC(=O)c1cncc(N2CCCN(C(=O)C3CC3)CC2)n1 548692306 MPQNZXLAJGDKKU-UHFFFAOYSA-N 289.339 0.024 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2)CN1 299763111 ZLZHWTIPAMFMCQ-PWSUYJOCSA-N 278.308 0.329 0 50 CCAA NC(=O)c1ccnc(NC[C@@H]2CC(=O)N(C3CC3)C2)c1 828248063 KQJWIQDNOPAHTE-VIFPVBQESA-N 274.324 0.603 0 50 CCAA O=C(Cn1ncnn1)N1CC[C@@H]1c1ccc(F)cc1 1352434004 SXHFHXWSVZWCEF-LLVKDONJSA-N 261.260 0.786 0 50 CCAA CN(Cc1nc(=O)o[nH]1)c1ccc2nnc(C(F)F)n2n1 1353530982 DWAFPQNNFYYLOA-UHFFFAOYSA-N 297.225 0.375 0 50 CCAA O=C1CN(Cc2nc(-c3ccsc3)no2)CCN1 16388928 PMBGTRVEKIZOOM-UHFFFAOYSA-N 264.310 0.730 0 50 CCAA CCOCCOc1cccc(C(=O)N[C@H]2CNC[C@@H]2O)c1 1565516176 WMHPFVGSRHTKJM-KBPBESRZSA-N 294.351 0.164 0 50 CCAA C[C@H]1CN(C(=O)CCS(C)(=O)=O)C[C@]1(O)C1CC1 1565512636 QZJBDTUKYOZMQI-JOYOIKCWSA-N 275.370 0.041 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)CN(C)Cc1cccnc1 1565516064 WITZNXWICVNVIJ-KBPBESRZSA-N 293.367 0.434 0 50 CCAA C[C@H](c1ccccn1)N(C)S(=O)(=O)N1CCN(C)CC1 952986523 YRGOEMURRLUWOB-GFCCVEGCSA-N 298.412 0.567 0 50 CCAA C[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1)Oc1ccccc1Cl 269210078 AFSZLTVWMMTXOQ-CKYFFXLPSA-N 298.770 0.946 0 50 CCAA C[C@@H](Cn1cccn1)NC(=O)c1c[nH]nc1[C@H]1CCOC1 275271994 JLPVWYRBGKHVRR-QWRGUYRKSA-N 289.339 0.929 0 50 CCAA Cn1cc(CNC(=O)Cc2n[nH]c3c2CCCC3)cn1 188349281 SKCONEHFASDJEK-UHFFFAOYSA-N 273.340 0.881 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)c1cc[nH]n1 583650513 TWEIGCDHMAOCEI-ZETCQYMHSA-N 283.357 0.800 0 50 CCAA CCCCOCC(=O)N1CC2(CC(=O)Nc3nccn32)C1 1603122238 FSIMGEMUOPVWCW-UHFFFAOYSA-N 292.339 0.580 0 50 CCAA CCc1nccn1C[C@H](C)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1506407823 QKMZIOQSFDLWGB-AHDPXTMNSA-N 293.411 0.898 0 50 CCAA Cn1c(C(=O)N2CCC[C@@H](N)C2)cnc1Br 1857692096 NZVGQHLWGUOYHB-SSDOTTSWSA-N 287.161 0.746 0 50 CCAA O=C(CSc1nc(O)cc(=O)[nH]1)Nc1nccs1 2871108 SXGRQOISUKAHKS-UHFFFAOYSA-N 284.322 0.663 0 50 CCAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cnn[nH]3)C[C@H]2C1 1529185433 MURWGMBZYNCJFI-BKUVIOGVSA-N 277.372 0.996 0 50 CCAA Cc1nn(C)c(C)c1CC(=O)N1CC[C@@](O)(C(F)F)C1 1615591437 WBKBDZZPLLDZGL-ZDUSSCGKSA-N 287.310 0.808 0 50 CCAA CC(=O)N1C(=O)/C(=C2/N=C(S)NC2=O)c2ccccc21 18144029 QLTAQYZCTZDTFS-MDZDMXLPSA-N 287.300 0.706 0 50 CCAA COc1ccc(CN2CCN(CCO)CC2)c(OC)c1 19606990 VSSDIGTYXJQFAO-UHFFFAOYSA-N 280.368 0.814 0 50 CCAA O=C1CC2(CCN(CCCn3cccn3)CC2)OCCN1 1857686648 AUMXIIDQWGBCRB-UHFFFAOYSA-N 292.383 0.644 0 50 CCAA CCc1nccn1CCCNC(=O)[C@H]1C[C@@H](N)[C@H](O)C1 1857720744 HXDZJNWJPMSXBC-QJPTWQEYSA-N 280.372 0.050 0 50 CCAA N[C@@H]1C[C@H](C(=O)N2CCc3ccc(O)cc3C2)C[C@H]1O 1857728702 MSORIJZAIVRCPS-ZLKJLUDKSA-N 276.336 0.375 0 50 CCAA CN1CCO[C@H](CN(Cc2cnnn2C)CC2CC2)C1 328636702 OGCAIHGIKYMSLG-AWEZNQCLSA-N 279.388 0.358 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H](C(N)=O)[C@H](c2cnc[nH]2)C1 642881890 AVOVOFGSOJZINO-RKDXNWHRSA-N 280.328 0.846 0 50 CCAA CCn1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)O)cn1 655598929 OEEJQBGXVPAVMY-LBPRGKRZSA-N 288.307 0.724 0 50 CCAA Nc1[nH]nc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c1Cl 247694783 YYXLMIRQJLFILX-RQJHMYQMSA-N 298.730 0.828 0 50 CCAA NC(=O)c1cnc(N2CC[C@H](c3nc[nH]n3)C2)c(Cl)c1 569232949 XJMLVGRHBZYOSQ-ZETCQYMHSA-N 292.730 0.946 0 50 CCAA O=C(C1CC1)N1CCN(c2nccc3c(O)ncnc23)CC1 580903740 XCNQSXBTRVIYBB-UHFFFAOYSA-N 299.334 0.789 0 50 CCAA CC(C)c1nsc(Cn2cnc3c(nnn3C)c2=O)n1 917829105 MPAOYZRWMVRBNJ-UHFFFAOYSA-N 291.340 0.548 0 50 CCAA CCOC(=O)CN(C)C(=O)C1=C[S@](=O)CCC1 1136428528 CESIFRORQFAZTG-QGZVFWFLSA-N 259.327 0.434 0 50 CCAA NCCNC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1 876503094 YTHAQMCAEAVZPH-NWDGAFQWSA-N 267.760 0.718 0 50 CCAA c1cnc(N2CCC(c3nnc4n3CCOC4)CC2)nc1 1875267089 YBYUYWQQSOCUHT-UHFFFAOYSA-N 286.339 0.982 0 50 CCAA CCNS(=O)(=O)c1cc(OC)ncc1N1CCCC1 1875298981 UNMKTFHPVXYCSC-UHFFFAOYSA-N 285.369 0.989 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)[C@@H]1CCc2ccccc21 1875280480 NCGHDMBMUDYOMC-LLVKDONJSA-N 272.308 0.899 0 50 CCAA Cc1nonc1CNS(=O)(=O)Cc1cscn1 1875298041 MVVQYBZNXKVFQD-UHFFFAOYSA-N 274.327 0.454 0 50 CCAA Cc1nc(CN2C(=O)C(C)(C)CS2(=O)=O)no1 1875291875 OIWXADVDDLDPRR-UHFFFAOYSA-N 259.287 0.076 0 50 CCAA NC(=O)c1cncc(C=C2CCS(=O)(=O)CC2)c1 1875325717 ABXDGGVUTXEFNK-UHFFFAOYSA-N 266.322 0.773 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@H]3COCCO3)[C@@H]2C1 1875306203 XERNPUHKNCAZSJ-ISUQUUIWSA-N 269.297 0.017 0 50 CCAA O=C(COC1CCCC1)N[C@@H]1C[C@@H](O)C12CCOCC2 887023546 IBUMNBROFFFPJL-CHWSQXEVSA-N 283.368 0.992 0 50 CCAA CC[C@H](CO)NS(=O)(=O)c1ccc2oc(=O)ccc2c1 35610292 JRLVTKDNYREPQT-SNVBAGLBSA-N 297.332 0.842 0 50 CCAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)COCC(F)(F)F 408320238 NUULHZUZBGKBEP-SFYZADRCSA-N 280.246 0.445 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1ccnn1C 643878116 JVPNPWWQBJAERE-LBPRGKRZSA-N 253.302 0.486 0 50 CCAA CCc1ocnc1C(=O)NCCCc1nn[nH]n1 584901483 WMARWERZLYSQJW-UHFFFAOYSA-N 250.262 0.113 0 50 CCAA N[C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)N1CCCC1 903551118 WMBPSEIHCSWBBJ-CHWSQXEVSA-N 281.381 0.541 0 50 CCAA O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](c2nc[nH]n2)C1 828388894 DIPMIIZDKMYGQA-MRVPVSSYSA-N 282.329 0.096 0 50 CCAA N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N(CC1CC1)CC1CC1 2332237526 YNWMDGFYAJCBAD-VXGBXAGGSA-N 286.397 0.007 0 50 CCAA CN1CCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1 796452 VJVSNPXBBRHNRF-UHFFFAOYSA-N 284.337 0.321 0 50 CCAA OC[C@@]12COC[C@@H]1CN(c1nnc(CC(F)(F)F)o1)C2 2356135705 PNTFQAWEKLDSQW-XVKPBYJWSA-N 293.245 0.620 0 50 CCAA O=C(C1CC1)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 2356147238 NOVIKAVHUZOUMV-JYYAWHABSA-N 287.359 0.992 0 50 CCAA Cc1cnc(C(=O)NC[C@]2(O)CCO[C@@H]2C)cn1 228678963 YKQITOBNUJPIOD-BXKDBHETSA-N 251.286 0.055 0 50 CCAA CC(C)(C)OC(=O)N1CCC(N2CCNC(=O)C2=O)CC1 9740299 TYCCTYJRBMDZDJ-UHFFFAOYSA-N 297.355 0.344 0 50 CCAA CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 20460635 QBXDATZYOPTKLL-WDEREUQCSA-N 291.417 0.420 0 50 CCAA O=C(Cn1ccnn1)N1CCN(Cc2ccsc2)CC1 329633238 SIQDLTLYNMVHIN-UHFFFAOYSA-N 291.380 0.684 0 50 CCAA CCCn1nc(C)c(CNC(=O)[C@@H]2C[C@H](N)CN2C)c1C 67834481 IILCXPBPSLGBLW-JSGCOSHPSA-N 293.415 0.558 0 50 CCAA CCN1C(=O)NC(=O)C12CCN(Cc1coc(C)n1)CC2 72462790 RKXWXFRTKFUQGQ-UHFFFAOYSA-N 292.339 0.889 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2CNC[C@@H]2O)c2[nH]ncc2c1 262117493 FRCVUSRPPYGGRI-JQWIXIFHSA-N 274.324 0.181 0 50 CCAA COC[C@H]1[C@@H](NC(=O)COc2cccnc2)[C@@H]2CCO[C@@H]21 219238746 IVTPEZVMPHTDAN-JURCDPSOSA-N 292.335 0.627 0 50 CCAA O=C1NCCC[C@@H]1NS(=O)(=O)c1sccc1Cl 333097647 PLOXYVOZVFKADX-ZETCQYMHSA-N 294.785 0.958 0 50 CCAA C[C@@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)[C@H]1CN 237521117 FKNFLRAIFHDWTR-SKDRFNHKSA-N 278.356 0.323 0 50 CCAA Cc1cnc(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cn1 131317487 HZWSJYCKXUKMJG-JQWIXIFHSA-N 274.324 0.668 0 50 CCAA CCN(Cc1cnn(CC)c1)C(=O)CN1CCN(C)C1=O 426442756 ABRQTZZXIZCURK-UHFFFAOYSA-N 293.371 0.619 0 50 CCAA COC(=O)[C@@]1(C)CCN(C(=O)Nc2nncs2)C1 177062239 JEEVKTJCZMLOFH-JTQLQIEISA-N 270.314 0.955 0 50 CCAA Cc1cc(CNC(=O)[C@H](C)N2CCN(C)CC2)cnc1C 426606766 QARCEYCSTQTIMS-AWEZNQCLSA-N 290.411 0.951 0 50 CCAA Cc1nc(O)c(C(=O)NCc2nnc(N)s2)c(C)c1C 426509290 FDBZALIIAQFLDX-UHFFFAOYSA-N 293.352 1.076 0 50 CCAA OCCn1nc(C2CC2)nc1CCCN1CCOCC1 96141618 HWMHDDQPBWKKSP-UHFFFAOYSA-N 280.372 0.413 0 50 CCAA CN(C)S(=O)(=O)CCNC(=O)c1nc2ccccc2[nH]1 426421151 LVULWYGFAWPBKE-UHFFFAOYSA-N 296.352 0.184 0 50 CCAA COCc1nc(C2CCOCC2)nn1C[C@@H]1COCCO1 97743669 XZPDWLZIZAPPSQ-GFCCVEGCSA-N 297.355 0.734 0 50 CCAA CCn1ccnc1C1CCN(C(=O)CNC)CC1 91872930 FFXBHJGUHSLCSO-UHFFFAOYSA-N 250.346 0.828 0 50 CCAA Cc1nnc2ccc(N3CC[C@@]4(CCN(C)C4)C3)nn12 292307467 NZLHCTDLUJLYHA-CQSZACIVSA-N 272.356 0.965 0 50 CCAA CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)N1CC[C@H](N)C1 237416543 OIFBQOXGOVTTEK-QWHCGFSZSA-N 296.392 0.202 0 50 CCAA NCCCCCNC(=O)c1cc(=O)nc2sccn12 97785152 XWRBVYBFWMXJGI-UHFFFAOYSA-N 280.353 0.615 0 50 CCAA C[C@@H](CN1CCOCC1)C(=O)NCc1cccnc1N 240163591 JCCLASPCLPXYLI-NSHDSACASA-N 278.356 0.248 0 50 CCAA CC(C)n1ccc(C(=O)NCCCn2ccnn2)n1 343886994 RVRABMLIVFNKSC-UHFFFAOYSA-N 262.317 0.876 0 50 CCAA Cn1cc(C(=O)O)c(CN2C(=O)c3ccccc3C2=O)n1 521398690 BKSSCQWZROKDJG-UHFFFAOYSA-N 285.259 0.915 0 50 CCAA O=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1nc[nH]n1 524732846 SUTTVCMOMBDUPO-QMMMGPOBSA-N 290.312 0.471 0 50 CCAA CC[C@H](C)[C@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)O 299743671 ONDKJWZLGSXLCY-SFGNSQDASA-N 288.369 0.523 0 50 CCAA O=C(Nc1ccc(Cc2nnn[nH]2)cc1)C1(O)CCC1 184870574 HWQJKEHXPWTVJF-UHFFFAOYSA-N 273.296 0.644 0 50 CCAA CC(C)(C(=O)N[C@H]1CCc2c[nH]nc2C1)N1CCOCC1 374884571 ZAZVWUGZEIJUJF-LBPRGKRZSA-N 292.383 0.494 0 50 CCAA CN(C(=O)CCc1cnn(C)c1)C1CCS(=O)(=O)CC1 299769457 ROOAAYUGZOKICE-UHFFFAOYSA-N 299.396 0.388 0 50 CCAA CN(CC(=O)NCCc1ncc[nH]1)C1CCCC1 827825768 NEMPJGRCFFRZEK-UHFFFAOYSA-N 250.346 0.943 0 50 CCAA N[C@@H]1CC[C@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 584892128 LLZZNFRYXGZZES-NTSWFWBYSA-N 277.250 0.567 0 50 CCAA Cc1csc(CNS(=O)(=O)N2CCN(C)CC2)n1 670456691 GFKHYZOTSIJCIO-UHFFFAOYSA-N 290.414 0.033 0 50 CCAA Cc1cc(N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)nc(C)n1 1421317924 SDVSAVBCSDBURW-WDEREUQCSA-N 284.385 0.963 0 50 CCAA CS(=O)(=O)Nc1ccc([C@H]2CCNC[C@@H]2N)cc1 757207406 AUPCQPNREPPIRI-NEPJUHHUSA-N 269.370 0.462 0 50 CCAA CS(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCCCO2)nn1 1548453266 YTUPPTOIEIOWDG-VIFPVBQESA-N 299.352 0.778 0 50 CCAA NC(=O)[C@@H]1CCC[C@H]1NCCOCC(F)(F)F 170089212 VPHDCUQNSZLQKK-HTQZYQBOSA-N 254.252 0.809 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1ccn(C)c1 643763731 GIYZXCNBPIZWFP-ZDUSSCGKSA-N 251.330 0.491 0 50 CCAA Cn1c(CN2CCOC[C@@]23CCOC3)nnc1C1CC1 193666264 ZVYSLQBWDVFHCP-AWEZNQCLSA-N 278.356 0.684 0 50 CCAA CC(C)(C)n1cnc(C(=O)N2CCC[C@@H](C(=O)O)C2)n1 564453063 AXWZVRRWILHHRB-SECBINFHSA-N 280.328 0.970 0 50 CCAA Cn1cc(CN(CC(=O)O)Cc2ccccc2)nn1 652455821 ASUNPRYMZJZTKP-UHFFFAOYSA-N 260.297 0.902 0 50 CCAA COC[C@]1(C(=O)OC(C)(C)C)CCCN1CCO 599483764 HFWYLRKWAXVEAA-ZDUSSCGKSA-N 259.346 0.801 0 50 CCAA O=C(NCCC(=O)N1CCN[C@H]2C[C@H]21)OCC(F)(F)F 1616039870 XKNXLNICUZNDRH-JGVFFNPUSA-N 295.261 0.238 0 50 CCAA CSCCN1CCN(c2cc(NCCO)ncn2)CC1 1506401363 CVFVRPYZMFPDDX-UHFFFAOYSA-N 297.428 0.366 0 50 CCAA COCCN1CCC[C@H](CNc2cnc(C(=O)O)cn2)C1 1506401863 GMXICZGEIWNYFU-LLVKDONJSA-N 294.355 0.945 0 50 CCAA C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1C(=O)O 1857531963 WXOLXVRLUGENJG-DCAQKATOSA-N 291.369 0.538 0 50 CCAA Cn1cnc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1 1704354180 VJUOFSLRZYPBKR-TZMCWYRMSA-N 286.335 0.803 0 50 CCAA CC[C@H](C(=O)OC)C(=O)N1CC[C@H](N2CCCC2)C1 225629426 QLIRGVSTPPGATN-RYUDHWBXSA-N 268.357 0.882 0 50 CCAA NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CC2)C1 328890497 RQTHHYFXNZMPCH-WCQGTBRESA-N 286.397 0.560 0 50 CCAA CN(CC(F)(F)F)C(=O)CN1CCCC[C@@H](O)C1=O 644322952 CSIFEQNIQWCMTM-MRVPVSSYSA-N 282.262 0.381 0 50 CCAA C[C@@H]1CC[C@@H](CCC(=O)N(CCN(C)C)CC(=O)O)O1 237433386 CMPVSBJBQYHUIJ-NEPJUHHUSA-N 286.372 0.809 0 50 CCAA Cc1ccoc1C(=O)N1CCOC[C@H]1CC(=O)O 128216866 KGFMAIKPCYAEBE-SECBINFHSA-N 253.254 0.904 0 50 CCAA COc1ccc(C)cc1N(CC(N)=O)S(C)(=O)=O 379637 QHKMIYYALDEWLU-UHFFFAOYSA-N 272.326 0.255 0 50 CCAA Cc1nc(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cn1C 249870000 JGDNYFLJOMMBRW-RKDXNWHRSA-N 273.358 0.526 0 50 CCAA CC(C)C[C@@H](N)C(=O)N1CCOCCOCCOCC1 3900506 UTWPBEBEZACJCY-CYBMUJFWSA-N 288.388 0.252 0 50 CCAA CCc1nc(S(=O)(=O)Cc2cscn2)n[nH]1 818267753 LYBDDZZYNFVCHT-UHFFFAOYSA-N 258.328 0.798 0 50 CCAA N[C@H]1CC[C@H](C(=O)N2CCc3ncccc3C2)C[C@@H]1O 1857719768 UXJZOBJWLBFHOC-JKOKRWQUSA-N 275.352 0.455 0 50 CCAA CCCCCOCC(=O)N1CCO[C@H](Cn2ccnn2)C1 585127523 CEPPHIPZEVJOFQ-ZDUSSCGKSA-N 296.371 0.712 0 50 CCAA CCc1nc(N2C[C@H](O)C[C@H]2C(N)=O)c2ccsc2n1 585117964 KBVDICPTPHZVKC-APPZFPTMSA-N 292.364 0.679 0 50 CCAA CSc1ncc(CN2C[C@H]3COC[C@@H]2CN(C)C3)cn1 1704314612 UYUNVUIDQHRTHQ-STQMWFEESA-N 294.424 0.961 0 50 CCAA COc1nccc(C(=O)N(C)CC2(O)CCC2)n1 935381062 PFEPBGBXIIVBII-UHFFFAOYSA-N 251.286 0.472 0 50 CCAA COc1ccc(CCN2C(=O)NC[C@H](O)C2=O)cc1OC 1875278858 PQQAIHGIJCDTAA-JTQLQIEISA-N 294.307 0.159 0 50 CCAA CCC(=O)N1CCC[C@H](NC(=O)c2csc(=N)[nH]2)C1 1875344288 AYCIFFHVEQXACC-QMMMGPOBSA-N 282.369 0.686 0 50 CCAA CCN(CC)c1ccc(C(=O)NC[C@@H](O)[C@@H](C)O)cn1 1776000592 ZDWYFEAVLNMCEH-ZYHUDNBSSA-N 281.356 0.399 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)CCOCc1ccccc1 268986420 QELYTOXRVOPPLT-CYBMUJFWSA-N 293.319 0.905 0 50 CCAA O=C(c1cn[nH]c1)N1CCC[C@H](CN2CCOCC2)C1 283475158 IUPBMAHPJLVRKF-GFCCVEGCSA-N 278.356 0.594 0 50 CCAA C[C@@H]1CCN(CCNC(=O)c2ccc(C(=O)O)nc2)C1 653293168 LKENIBXMINPCTI-SNVBAGLBSA-N 277.324 0.851 0 50 CCAA C[C@@H]1CN(C2CC2)CCN1C(=O)c1csc(=N)[nH]1 402686212 BHBWHNXJRCROJC-MRVPVSSYSA-N 266.370 0.864 0 50 CCAA C[C@@H]1C[C@@H](NC(=O)c2cccn3nccc23)C(=O)O1 879988690 HOPZWYFRLDRLAM-PSASIEDQSA-N 259.265 0.768 0 50 CCAA O=S(=O)(c1ccc2c(c1)OCCO2)n1ccnc1 6700574 PGJLUYYPETUURE-UHFFFAOYSA-N 266.278 0.891 0 50 CCAA O=C1CN(C(=O)c2n[nH]c3c2CCC3)[C@H]2CCCC[C@H]2N1 225470199 PQIAWKXPZONMMO-NEPJUHHUSA-N 288.351 0.782 0 50 CCAA CCCSCC(=O)N1CCC[C@H](CS(N)(=O)=O)C1 225557839 HLALKBNSBOUHCW-JTQLQIEISA-N 294.442 0.657 0 50 CCAA CCOc1ccc(S(=O)(=O)Nc2ccc(O)nn2)cn1 225707164 ZRAZHSRYTYTTDO-UHFFFAOYSA-N 296.308 0.777 0 50 CCAA Cc1ccccc1NC(=O)C[C@H](NCCN(C)C)C(=O)O 20362801 BZXYZYUZPIVCFH-ZDUSSCGKSA-N 293.367 0.928 0 50 CCAA OC1CCN(c2ccnc(NCCc3ncc[nH]3)n2)CC1 65406416 FVQUFMZSVQMXSV-UHFFFAOYSA-N 288.355 0.815 0 50 CCAA O=P(O)(O)C(CNc1cccc(O)c1)P(=O)(O)O 22340755 TXEQJUJUPGDOHB-UHFFFAOYSA-N 297.140 0.486 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)[C@@H](OC)c1ccccc1 67446947 XTKZRZVIUJUNJS-AGIUHOORSA-N 291.351 0.048 0 50 CCAA COCCN1CCC[C@](O)(CNCc2ccncc2)C1=O 71278768 PTWJAFZKOIPEHW-HNNXBMFYSA-N 293.367 0.171 0 50 CCAA CN(CCn1cccn1)C(=O)CCc1ccnn1C 124024905 ZXOAAUPGDIXXCK-UHFFFAOYSA-N 261.329 0.708 0 50 CCAA CN1CCO[C@H](C(=O)NCc2cccc(N(C)C)n2)C1 152244721 FZWDECGEPOYMRK-LBPRGKRZSA-N 278.356 0.094 0 50 CCAA CN(C)C[C@@H]1CCN(C(=O)c2ccc(F)cc2O)C[C@H]1O 215983558 WAICCKFNYXMCGA-IINYFYTJSA-N 296.342 0.916 0 50 CCAA COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ncnn1C 241693864 QIKMVEZPALINSQ-NHCYSSNCSA-N 264.329 0.589 0 50 CCAA O=C(NCCc1nc(=O)o[nH]1)[C@H]1CC12CCCC2 333348745 VJIOTPMWFDPKIQ-MRVPVSSYSA-N 251.286 0.602 0 50 CCAA C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC1C[C@H]2C[C@@H]2C1 333466378 MWCJUKHBQHSCSQ-UYAIAHHASA-N 266.341 0.177 0 50 CCAA Cn1ccnc1CN[C@@H]1CCCN(c2ccncn2)C1 377558580 KNPUTNMFZBWZHQ-GFCCVEGCSA-N 272.356 0.969 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)CCOC[C@@H]1CCCO1 262155163 RRRXOMPFJQWAPD-QWRGUYRKSA-N 271.313 0.648 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H](N)C1 158397751 JNFYLCRNEWRMER-LLVKDONJSA-N 266.345 0.365 0 50 CCAA Cn1ccnc1[C@H]1CCCN(CC(=O)N2CCOCC2)C1 82091849 IIHJKTYHTHMVJN-ZDUSSCGKSA-N 292.383 0.458 0 50 CCAA CN(CCO)c1cc(C2CC(N)C2)nc(C2CC2)n1 223576699 OWIZZULGECQSOJ-UHFFFAOYSA-N 262.357 0.987 0 50 CCAA CCc1cnc(N)nc1N1CCN(c2cnccn2)CC1 91390949 ATQBKJIZOFAMLP-UHFFFAOYSA-N 285.355 0.738 0 50 CCAA O=C(CN1C(=O)COc2cccnc21)N1CCCOCC1 95509142 VCARAIOIQRTHJT-UHFFFAOYSA-N 291.307 0.056 0 50 CCAA O=C(CN1CCCCC1=O)N[C@H]1CCc2c[nH]nc2C1 334631382 RGFZCGKEZBURCE-NSHDSACASA-N 276.340 0.396 0 50 CCAA O=C1[C@H]2[C@@H]3[C@H]4C[C@H]2[C@@H](O)[C@H]4O[C@H]3N1Cc1ccccc1 238900553 JNIYESDZDSVWHU-FQSQWYRASA-N 271.316 0.997 0 50 CCAA CCOc1ncccc1[C@@H](C(=O)O)N1CCOCC1 95371548 BSLQTXUGDKSUSC-NSHDSACASA-N 266.297 0.938 0 50 CCAA CC(C)N1C[C@@H](C(=O)Nc2ccn(CC(=O)O)n2)CC1=O 299752374 TXZSCLDLROTHAC-VIFPVBQESA-N 294.311 0.163 0 50 CCAA CN(CC(=O)NC[C@@H]1CCCCO1)C1CCNCC1 534659589 OMCJGVRXQTYDPA-ZDUSSCGKSA-N 269.389 0.356 0 50 CCAA CCn1nccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)NC2 534639502 FIMANYZRBRZAIE-QWRGUYRKSA-N 284.385 0.276 0 50 CCAA CC[C@@H](NC(=O)Cn1cccn1)c1ncnn1CC 534588389 VMZAKHQDAPMLTK-SNVBAGLBSA-N 262.317 0.762 0 50 CCAA O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N2Cc3ccccc3C[C@H]12 828328346 SUGAAZLWIUWMLV-UONOGXRCSA-N 296.330 0.404 0 50 CCAA O=C(NCCCN1CCCC[C@@H]1CO)[C@H]1CC[C@@H](O)CC1 828710833 MASPJPYDPUWXHH-KFWWJZLASA-N 298.427 0.891 0 50 CCAA Cn1cnnc1CN1CCN(c2ccccc2)C(=O)C1 670462256 VOFSALWGGRGMDF-UHFFFAOYSA-N 271.324 0.664 0 50 CCAA CN1C[C@@H](NC(=O)CCc2cccn2C)CCC1=O 584898530 RHPUWYMAGBBVRS-NSHDSACASA-N 263.341 0.695 0 50 CCAA CC(=O)c1[nH]c(C)c(C(=O)NCCc2nc(N)n[nH]2)c1C 952986467 DWNUBHKSPXUKCH-UHFFFAOYSA-N 290.327 0.507 0 50 CCAA CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)[nH]n1 952993318 MPFSNZLHCAFPDM-ZETCQYMHSA-N 275.330 0.663 0 50 CCAA C=CC(=O)NCCC(=O)NC1CCN(C(=O)OCC)CC1 269421362 JAVWIEAJJJLDMT-UHFFFAOYSA-N 297.355 0.416 0 50 CCAA Cn1c(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cccc1=O 270348062 VRZTTZAZZBCZHN-UKRRQHHQSA-N 284.315 0.773 0 50 CCAA Cc1cc(CN=c2[nH]c(C)nc(=N)[nH]2)cc(N2CCCC2)n1 631277670 HZXVRKAINABUFR-UHFFFAOYSA-N 299.382 0.930 0 50 CCAA CS(=O)(=O)NCc1ccc(Cn2cncn2)cc1 170626668 SYPDLNRXDSVMRT-UHFFFAOYSA-N 266.326 0.376 0 50 CCAA CC1(C)COCCN1CCNC(=O)c1cccnc1O 170863777 MUOCUVUCCNYFRI-UHFFFAOYSA-N 279.340 0.628 0 50 CCAA CS(=O)(=O)CC(=O)N1CCC[C@H]1CN1CCCCC1 408013558 DUMSEDIFRAMGOS-LBPRGKRZSA-N 288.413 0.508 0 50 CCAA COc1ccc2c(c1)OC[C@@H]2CC(=O)N[C@@H]1COC[C@H]1O 578730375 WWTDHLOKYKUVMX-ZWKOPEQDSA-N 293.319 0.437 0 50 CCAA Cc1nccc([C@@H]2CCCN(Cc3nnn(C)n3)C2)n1 685034503 OHIWQEDNAUNQAS-LLVKDONJSA-N 273.344 0.688 0 50 CCAA C1CN(C2CCN(CC[C@@H]3COCCO3)CC2)CCO1 1800414575 UUYXRASLXZVMJY-OAHLLOKOSA-N 284.400 0.589 0 50 CCAA O[C@H]1CN(Cc2cnc(N3CCCCC3)nc2)C[C@@H]1F 1616112434 MNDZJJBTXAREBP-STQMWFEESA-N 280.347 0.982 0 50 CCAA CC1=CCCN(C(=O)CN2CCCC[C@H](O)C2=O)C1 644459699 IXUYRNUQJRMHQJ-LBPRGKRZSA-N 266.341 0.538 0 50 CCAA Cc1cc(C)n2nc(C)c(C(=O)N3CCNCC3)c2n1 237711597 MQTQSCKCKRFXRG-UHFFFAOYSA-N 273.340 0.700 0 50 CCAA Cc1cc(C)nc(N2CCC[C@@](O)(C(=O)O)C2)n1 1875272944 KKNYOFQGBLRDMX-LBPRGKRZSA-N 251.286 0.509 0 50 CCAA CC1CCN(CC(=O)N(CCO)Cc2ncc[nH]2)CC1 1704324892 GUOSFMQHUQBOBM-UHFFFAOYSA-N 280.372 0.463 0 50 CCAA Nc1ccnc(N2C[C@@H](O)[C@H](Cc3ccccn3)C2)n1 1704313139 GUSJVKMPNUSZHZ-ZYHUDNBSSA-N 271.324 0.494 0 50 CCAA CCN1CCOC[C@@H]1C(=O)NCCC1(O)CCC1 368606337 VKNUMANMVBKDAF-LLVKDONJSA-N 256.346 0.128 0 50 CCAA C[C@@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1cccs1 247279737 YMYVCFXBDCVOOL-ZJUUUORDSA-N 297.380 0.111 0 50 CCAA COc1ncccc1CN1CC[C@@]2(CNC(=O)CO2)C1 1772807207 RGFZASSLOQYPHH-CQSZACIVSA-N 277.324 0.181 0 50 CCAA CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 16637265 LCZKSVCCOMAQIZ-MNOVXSKESA-N 276.402 0.963 0 50 CCAA O=C(c1ccc2c(c1)OCO2)N1CCc2nncn2CC1 11838649 BJVKIFADZUMBTE-UHFFFAOYSA-N 286.291 0.705 0 50 CCAA O=C1C[C@@H]2CN(c3nc(CO)nc4ccccc34)C[C@@H]2CN1 1857688179 WOFKTELDOPUFIE-MNOVXSKESA-N 298.346 0.694 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)C(C)=C2CCC2)C1 818488665 RYOINVUZMMANGB-OAHLLOKOSA-N 280.368 0.976 0 50 CCAA C[C@@H]1Oc2c(cccc2C(=O)N2CCNC[C@@H]2C)NC1=O 125446608 RGKQHNVKAGEVGA-UWVGGRQHSA-N 289.335 0.840 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C)nc1O 407994025 YNRDGNCYBVSJQT-NSHDSACASA-N 277.324 0.836 0 50 CCAA C[C@H](O)CN1CCN(S(=O)(=O)c2ccco2)[C@H](C)C1 225424036 LAQLPLMQVXULII-MNOVXSKESA-N 288.369 0.355 0 50 CCAA Cn1cc([C@]2(C)CN(C(=O)CNC3CC3)CCO2)cn1 237713066 HLBRHYAFHJKESM-AWEZNQCLSA-N 278.356 0.246 0 50 CCAA O=C(N1CCCC1)[C@@]1(O)CCCN(Cc2cncnc2)C1 344876040 MPEHZEXCIDEQMN-OAHLLOKOSA-N 290.367 0.426 0 50 CCAA Cn1ncc2c1CCCN(CC1CN(S(C)(=O)=O)C1)C2 930710369 BNTGBRFACYUTKU-UHFFFAOYSA-N 298.412 0.060 0 50 CCAA CC(C)(C)c1nnc(C(=O)N2C[C@@H](O)C3(CC3)C2)o1 1875282911 XYAWZWIVBGABSG-MRVPVSSYSA-N 265.313 0.964 0 50 CCAA COC(=O)/C=C/CCNC(=O)[C@@H](O)c1cccc(OC)c1 1875314249 OQNYTUXQDZFMHK-VSZOKUSCSA-N 293.319 0.964 0 50 CCAA COC(=O)C1(CNC(=O)N2CCC[C@H]2C)COC1 1875312036 GOZNHBLVNXDLLA-SECBINFHSA-N 256.302 0.370 0 50 CCAA O=C1NC[C@@H](C(=O)Nc2cccc3nc(O)[nH]c23)O1 1875324158 JUOGCNYKWCAZJY-ZETCQYMHSA-N 262.225 0.315 0 50 CCAA Cc1cc(S(=O)(=O)N[C@@H](C)Cn2cccn2)ccn1 1775998827 KWRDBHVHANIJRS-NSHDSACASA-N 280.353 0.954 0 50 CCAA O=C1NCc2ccc(C(=O)NCCn3ccnc3)cc2N1 1776003160 CXNNIWYWIJXGIS-UHFFFAOYSA-N 285.307 0.948 0 50 CCAA c1ccc(N2CCN(C[C@@H]3COCCO3)CC2)nc1 252481531 CNOLHWZODIMSMI-CYBMUJFWSA-N 263.341 0.619 0 50 CCAA Cc1ccc(S(=O)(=O)NC[C@]2(O)CCCNC2)s1 534662656 SXDAUUSRYHLYOJ-NSHDSACASA-N 290.410 0.449 0 50 CCAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccnn1 701815130 QDWQGGHCKGOOCQ-QWHCGFSZSA-N 255.277 0.865 0 50 CCAA CC1(C)CN[C@@H](C(=O)N2CCc3c[nH]c(=N)nc3C2)C1 2325795917 FEXDQULSEJHLNN-SNVBAGLBSA-N 275.356 0.162 0 50 CCAA O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCNCC1 3602924 PBMYDGKWBMRMIV-LBPRGKRZSA-N 273.336 0.471 0 50 CCAA CCN(Cc1nc(COC)no1)C(=O)c1cnc(C)cn1 55182769 UAGGMOGHQTZXFB-UHFFFAOYSA-N 291.311 0.977 0 50 CCAA C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@H]1CCN(C)C1=O 246621566 DOKPXZKHYRTPOA-TUAOUCFPSA-N 284.356 0.308 0 50 CCAA COc1cccc(-n2ccc3c(nnc4ncnn43)c2=O)c1 67630427 LMHNRJKNTSGSGX-UHFFFAOYSA-N 294.274 0.832 0 50 CCAA COC[C@H]1[C@@H](NC(=O)Cn2cc(C)cn2)[C@H]2CCO[C@H]21 1074594456 NCINXBQXFVCHLN-UVLXDEKHSA-N 279.340 0.358 0 50 CCAA O=C(Nn1cnnc1)[C@H]1CCCN(Cc2ccco2)C1 67726605 PSQFPOCJESUNTE-NSHDSACASA-N 275.312 0.853 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)CCO1 251097985 JNSFGLXBPMHOSS-SVDPJWKOSA-N 253.298 0.735 0 50 CCAA COCCN1CCC[C@H](c2nc3c([nH]2)CCCNC3=O)C1 65382402 IPRHSYVTSMNARO-NSHDSACASA-N 292.383 0.912 0 50 CCAA COC(=O)[C@H]1CCCN1CP12(OCCO1)OCCO2 35327749 HCNWHSKRAKSQAW-SNVBAGLBSA-N 293.256 0.888 0 50 CCAA Cc1cc(N2CCC[C@@H]2c2nc(C(N)=O)no2)ncn1 328614804 AMBWSLRQVZNTFX-MRVPVSSYSA-N 274.284 0.608 0 50 CCAA COCc1cccc(C(=O)N2CCOC[C@@H](O)C2)n1 77458729 SPFFLWQTNMNBTK-NSHDSACASA-N 266.297 0.061 0 50 CCAA Cc1nc[nH]c1C(=O)N1CCC(N2CCC[C@@H](O)C2)CC1 72153651 NUWZCDXJUMAAPA-CYBMUJFWSA-N 292.383 0.779 0 50 CCAA O=C1CCCCCN1CCCNC(=O)C1(C(=O)O)CC1 154763379 NJZVRUQABGYQJP-UHFFFAOYSA-N 282.340 0.760 0 50 CCAA CC(C)N(CC(=O)O)C(=O)[C@@H]1C[C@H]1C1CCNCC1 521396624 NPJMDTLVDNQPPV-NWDGAFQWSA-N 268.357 0.944 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NC2CCSCC2)N(C)C1 334380668 IRFCQEGSYMGCRL-QWRGUYRKSA-N 258.387 0.717 0 50 CCAA COCC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 371626807 GEOJDTHJIGRWKD-SNVBAGLBSA-N 277.324 0.127 0 50 CCAA CC(C)c1nc(CN(C)C(=O)CNC(N)=O)cs1 77357521 VFJMZSSXKYKFIM-UHFFFAOYSA-N 270.358 0.893 0 50 CCAA CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 372729708 XCQWPBRVAICESW-VIFPVBQESA-N 298.368 0.051 0 50 CCAA CN1CCCN(CC(=O)NCCCc2cnn(C)c2)CC1 220035258 CXJLQXXKJPMHBF-UHFFFAOYSA-N 293.415 0.106 0 50 CCAA O=c1c2ccsc2ncn1C[C@@H]1CNCCO1 32516125 AIWQUTMBOIPCRP-QMMMGPOBSA-N 251.311 0.446 0 50 CCAA COCCCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 176483850 YLKQREVUDCHEPB-QWRGUYRKSA-N 255.362 0.947 0 50 CCAA Cc1nc(C)c(C)c(N[C@@H]2CCOC[C@H]2OCCO)n1 220402534 PHQNMANFUVZLHW-CHWSQXEVSA-N 281.356 0.980 0 50 CCAA O=C(c1onc2c1CCCC2)N1CCOC[C@@H](O)C1 426427881 CWALGMBTFDWHPB-VIFPVBQESA-N 266.297 0.387 0 50 CCAA CC(C)Cc1noc(CN(C)C(=O)[C@@H]2COC(=O)N2)n1 426395916 GLYZCGRMUSUCGY-QMMMGPOBSA-N 282.300 0.335 0 50 CCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccco1)C2 95358765 YLGBIXWSBPAKSU-WDEREUQCSA-N 298.364 0.776 0 50 CCAA COCC[C@]1(O)CCN(c2nc(C(N)=O)cs2)C[C@H]1C 91876387 NDLVVORKMIROJR-NOZJJQNGSA-N 299.396 0.856 0 50 CCAA CN(Cc1ccoc1)C(=O)[C@H]1CCC(=O)NC(=O)N1 97295113 RDXMZMYRNRZYSW-SECBINFHSA-N 265.269 0.226 0 50 CCAA COCCN(C)C[C@@H]1CN(Cc2nc(C)c[nH]2)C[C@@H]1CO 91663184 GVARKYDRNXMWFR-ZIAGYGMSSA-N 296.415 0.337 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)C1Cc2ccccc2C1 230739509 SVQJUHVNNRCHSX-UHFFFAOYSA-N 290.363 0.876 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 299751065 PJOKGPMDHBRLMV-QJPTWQEYSA-N 285.340 0.894 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)[C@H](C)N1C(=O)OC(C)(C)C 498050774 PULURDQJGWVSBE-CIUDSAMLSA-N 259.302 0.918 0 50 CCAA Nc1cnc(N2CCC3(CC2)OCCO3)cc1N 669382646 JCLBBZZCQNAWQH-UHFFFAOYSA-N 250.302 0.589 0 50 CCAA C[C@@H](CCC(=O)N1CCN(C)C(=O)C1)N1CCCC1 584899850 WNPWLHYFACIBHP-LBPRGKRZSA-N 267.373 0.552 0 50 CCAA CCOCCC(=O)OCCCNc1ccc2nccn2n1 585135943 JSIQJFLCSNNVPU-UHFFFAOYSA-N 292.339 1.501 0 50 CCAA Nc1cc(O)nc(CCNC(=O)CCCN2CCCC2)n1 584893194 MRRKEKWWMFVJEK-UHFFFAOYSA-N 293.371 0.299 0 50 CCAA N[C@@H]1CNCC[C@@H]1[C@H]1CC[C@H](C(F)(F)F)NC1 757215687 WYYGDDNDDMKZKV-SGIHWFKDSA-N 251.296 0.854 0 50 CCAA CCn1cc(CN2CCN(C)[C@@H](C(=O)O)C2)cn1 244778739 PVRMWQDSYYAMGR-LLVKDONJSA-N 252.318 0.104 0 50 CCAA C[C@H]1[C@H](C)N(S(=O)(=O)c2cn(C)cn2)CCN1C 408082076 FYMBYPSQYCGJNJ-UWVGGRQHSA-N 272.374 0.133 0 50 CCAA Cc1ncn(CC(=O)NCc2ccco2)c(=O)c1C 188235824 AKKPULCVJZPMGQ-UHFFFAOYSA-N 261.281 0.770 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccnc(C)n1 664267108 BKNRQYGORNAGEN-RKDXNWHRSA-N 257.315 0.009 0 50 CCAA Oc1cccnc1CN1CCOC[C@@H]1c1nc[nH]n1 584847213 IBVLXARSBHWPPR-SNVBAGLBSA-N 261.285 0.479 0 50 CCAA O=C(NOC[C@@H]1CCOC1)[C@H]1CSCCS1 788576371 UVMGTNYGJHIISS-RKDXNWHRSA-N 263.384 0.919 0 50 CCAA O=C(O)COCC(=O)NCC1CC(C(F)F)C1 1875281392 RORZANFLWUFVIN-UHFFFAOYSA-N 251.229 0.495 0 50 CCAA Cc1cc(COCC(=O)N2C[C@H]3CCC[C@@]3(N)C2)no1 1615554860 VVBUJOYZKBAQIM-BXUZGUMPSA-N 279.340 0.839 0 50 CCAA Cc1nsnc1C(=O)NCCN=c1cc[nH]cc1C 1857693932 STJYZZXBUJNRIN-UHFFFAOYSA-N 277.353 0.814 0 50 CCAA Cc1[nH]nc(C(=O)N(CCO)Cc2ncc[nH]2)c1Cl 1772707809 ZOGXVJSADINBSU-UHFFFAOYSA-N 283.719 0.729 0 50 CCAA CC(=O)N[C@H](C(=O)NCc1[nH]nc2ncccc12)C(C)C 1772805566 OQZRVKLYUUKNLN-LBPRGKRZSA-N 289.339 0.735 0 50 CCAA O=C(C[C@@H]1SCCNC1=O)Nc1ccc2c(c1)OCO2 6759977 MHOBEBLBYGELTK-NSHDSACASA-N 294.332 0.976 0 50 CCAA CC(=O)NCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 220577418 FGXRHWAKSXZWJX-DCAQKATOSA-N 268.313 0.367 0 50 CCAA CC(C)(C)NC(=O)CNC(=O)[C@H]1CCC[C@H](C(=O)O)C1 121895533 UVMZPSDMJRHNMN-UWVGGRQHSA-N 284.356 0.908 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)Cc1c[nH]c2ncccc12 262691333 BPILOWHMFMQBGB-NSHDSACASA-N 289.291 0.417 0 50 CCAA O=C(NCCN1CCOCC1)c1cc2c(s1)CCOC2 264155992 SQVKDIDDOHAZRL-UHFFFAOYSA-N 296.392 0.883 0 50 CCAA O=C(O)CCC1CCN(C(=O)c2cc3n(n2)CCO3)CC1 902057058 HRQDAPNOZUGLMG-UHFFFAOYSA-N 293.323 0.993 0 50 CCAA CN1C[C@@H](OC(=O)c2ncccc2F)CCC1=O 1122976954 JVSXDYPVLUBFDU-QMMMGPOBSA-N 252.245 0.998 0 50 CCAA Cn1cc(O[C@@H]2COC[C@@H]2NCc2ccncc2)cn1 862494409 NSNMIULWAIDIGD-UONOGXRCSA-N 274.324 0.751 0 50 CCAA CC(C)[C@@H](O)C1(CN[C@@H]2CCC(=O)N(C)C2)CC1 1875275711 YHKMCBQUBWAKMJ-DGCLKSJQSA-N 254.374 0.994 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@H]1CCCc2n[nH]cc21 1875259369 ATFISRSTFJMNQB-IUCAKERBSA-N 251.286 0.666 0 50 CCAA C[C@H]1C[C@@H](OC(=O)c2cccc3nn[nH]c23)C(=O)O1 1875252182 HITSGEUKPAAWLU-IMTBSYHQSA-N 261.237 0.819 0 50 CCAA O=C1C[C@H]2CCCCN2C(=O)[C@@H]([C@@H]2CCCO2)N1 1875311150 OPVSNUQPVPKFET-JFGNBEQYSA-N 252.314 0.435 0 50 CCAA O=C(N1CC[C@H](C(F)(F)F)C1)C1(n2cnnn2)CC1 888025270 SCZCBDYFSSFRCC-ZETCQYMHSA-N 275.234 0.573 0 50 CCAA COCCCCS(=O)(=O)N1CCCc2n[nH]cc2C1 1775961472 CPDCYQZLDYUSJX-UHFFFAOYSA-N 287.385 0.914 0 50 CCAA Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)O)c1F 262378653 GPAJGDFHYVZMJI-ZETCQYMHSA-N 261.274 0.886 0 50 CCAA O=C1NC(=O)N2CCN(C(=O)CCCC(F)(F)F)C[C@H]12 330631222 FMRMXNPHGPFFDB-SSDOTTSWSA-N 293.245 0.482 0 50 CCAA COCCS(=O)(=O)N1CCC[C@@H](CCO)CC1 332061956 ZBALWHQDXCUOEP-LLVKDONJSA-N 265.375 0.447 0 50 CCAA NC[C@H]1C[C@@H](NC(=O)NCC[C@@H](N)Cc2ccccc2)C1 2325766239 GKHUVTQPPQTIJA-KFWWJZLASA-N 290.411 0.983 0 50 CCAA OCCOCCN1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100413615 YBWZIUSRUYRBBB-JYJNAYRXSA-N 280.412 0.825 0 50 CCAA Cc1nnc2c3ccccc3c(N(C)CCC(N)=O)nn12 343913065 NEPJZVFKYWUEOJ-UHFFFAOYSA-N 284.323 0.898 0 50 CCAA CN(C)C(=O)c1cc(N2C[C@H](C(=O)O)CC2=O)ccc1O 65494742 WQWKOVLPOYYNII-MRVPVSSYSA-N 292.291 0.532 0 50 CCAA C[C@H]1CN(C(=O)NC[C@H]2CCCO2)CCN1CC(C)(C)O 249174676 YIYOHPREYDWCHZ-QWHCGFSZSA-N 299.415 0.652 0 50 CCAA CC[C@H](C(=O)N1CCC(CC(=O)NC)CC1)N(C)C 120296866 LETMAIQCXHGRCN-GFCCVEGCSA-N 269.389 0.701 0 50 CCAA CCNC(=O)c1ccc(NCCn2ccnn2)nc1 302202135 VSDJBTRRKXMYNH-UHFFFAOYSA-N 260.301 0.535 0 50 CCAA C[C@@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)NC(N)=O 429242688 WRZUEQUKODESCQ-VXNVDRBHSA-N 263.297 0.032 0 50 CCAA C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cc(F)c[nH]1 331643697 NLDULWCEJHLOLH-QMMMGPOBSA-N 274.317 0.803 0 50 CCAA COc1ccc2[nH]c(CNC(=O)CNC(N)=O)cc2c1 215873912 XGHLAYFUDZZLKB-UHFFFAOYSA-N 276.296 0.461 0 50 CCAA C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)C1(C)COC1 378008922 VCFUIPPQLVIUPI-VXGBXAGGSA-N 268.357 0.345 0 50 CCAA CC[C@H](N)C(=O)N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 263299324 YXIFGJXAZBAKSK-KFWWJZLASA-N 296.459 0.741 0 50 CCAA Cc1ccccc1C(=O)N1CCO[C@]2(CNCCOC2)C1 72125521 XHZGIJLZLQIGON-MRXNPFEDSA-N 290.363 0.826 0 50 CCAA c1cncc(-c2noc(CCNc3ncncn3)n2)c1 223440070 HPIOHNVWLYRBFX-UHFFFAOYSA-N 269.268 0.971 0 50 CCAA Cc1nnc(N2CCN(Cc3nccn3C)CC2)o1 91656430 BUAHBXWAOBEFNW-UHFFFAOYSA-N 262.317 0.434 0 50 CCAA Cc1c(S(=O)(=O)N2CCCO[C@@H](C)C2)cnn1C 293492720 RGVKIJKSUPQUTI-VIFPVBQESA-N 273.358 0.528 0 50 CCAA Cc1ccc2nc(C(=O)NCCN3CCNC3=O)cn2c1 91494082 JTAAPQBPHALELM-UHFFFAOYSA-N 287.323 0.398 0 50 CCAA Cc1cc(C)c(C(=O)N2CC[C@@H]3CNC[C@@H]32)c(O)n1 701159343 ZTZNDZAHQWYFAA-MNOVXSKESA-N 261.325 0.838 0 50 CCAA CNc1ncc(C(=O)N2C[C@@H](C)[C@@](C)(O)C2)cn1 91624777 XSIMTOSDYRVEOK-PELKAZGASA-N 250.302 0.361 0 50 CCAA O=C([C@@H]1CCCN1)N1CCC[C@@H](C2OCCO2)C1 182105239 AOCLDIVDCJJYHX-MNOVXSKESA-N 254.330 0.350 0 50 CCAA O=S(=O)(CCCF)N1CCCc2n[nH]cc2C1 1330606791 SDKBHYLJOBNAHI-UHFFFAOYSA-N 261.322 0.847 0 50 CCAA CC[C@H](NC(=O)Cn1cc(C)cn1)[C@H]1C[C@H](O)C1 252539892 OQGOXMFBZSVDTK-SRVKXCTJSA-N 251.330 0.857 0 50 CCAA CC(C)[C@H](NS(=O)(=O)c1cccnc1)c1ncnn1C 534581928 UJPGKAQMDROQLS-NSHDSACASA-N 295.368 0.886 0 50 CCAA Cc1cc(Sc2nnc(CN)n2C)nc(N(C)C)n1 534652379 ITANMBSCMUJURK-UHFFFAOYSA-N 279.373 0.589 0 50 CCAA CN(CC(=O)NCc1nnc(N)s1)C1CCCC1 534646040 GUQMWHRMHXZGRM-UHFFFAOYSA-N 269.374 0.611 0 50 CCAA Cc1cc(O)ccc1C(=O)NC[C@](C)(O)CCCO 584884176 YNVFHLSZFSSIPN-CQSZACIVSA-N 267.325 0.954 0 50 CCAA CC(C)n1cnnc1[C@H](C)NC(=O)CN1CCOCC1 822280949 PRVKESXVHIPOJP-NSHDSACASA-N 281.360 0.368 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1n[nH]c(CC)c1C 584890700 RGAGAOPYBCZSIF-RYUDHWBXSA-N 280.372 0.729 0 50 CCAA C[C@H](O)CN1CCCN(C(=O)[C@@]2(F)CCOC2)CC1 981821612 OYEUJQPQMKDNPF-WCQYABFASA-N 274.336 0.030 0 50 CCAA CCOc1cc(C(=O)N[C@@H](CO)C2CCOCC2)[nH]n1 1362792714 IHNPKDQKMGENBE-NSHDSACASA-N 283.328 0.326 0 50 CCAA Cc1cccc(OC[C@H](O)CNC(=O)[C@H]2C[C@H]2C(=O)O)c1 268915713 QAOGCIUYQDHHRP-KGYLQXTDSA-N 293.319 0.572 0 50 CCAA CCc1ccccc1OCC(=O)N1CCOC[C@H]1C(=O)O 268964802 CCZNLSYEGUYQDO-LBPRGKRZSA-N 293.319 0.940 0 50 CCAA CC[C@H](C(=O)NC1(C(N)=O)CCCC1)N(C)CC 952974795 JXFNACLEFHQLQH-SNVBAGLBSA-N 255.362 0.631 0 50 CCAA O=S1(=O)CC[C@@H](CO)N1Cc1c(F)cccc1F 952992616 QBXWEFOAPUHOFD-QMMMGPOBSA-N 277.292 0.861 0 50 CCAA Cc1nnc(N2C[C@H](C)N(CCO)[C@H](C)C2)s1 517011284 TYOUXKZBWOLXIO-DTORHVGOSA-N 256.375 0.738 0 50 CCAA CC(=O)NC1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 190527968 FZOOUXFTOVTADI-ZDUSSCGKSA-N 278.283 0.476 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccoc1 643944888 QFJLWMIRNRABTO-GFCCVEGCSA-N 252.270 0.386 0 50 CCAA O=C(CC(F)(F)F)N1CCOC[C@]12CCOC2 194431237 QFLMKPJSXIDWDI-SECBINFHSA-N 253.220 0.957 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)CN(C)C(C)C 195311273 XKVVCTFAIDKNIK-LLVKDONJSA-N 255.362 0.454 0 50 CCAA CC(C)[C@H](NC(=O)c1cccn2c(O)nnc12)C(=O)O 566225318 DLDDKFWPGFXYHP-QMMMGPOBSA-N 278.268 0.274 0 50 CCAA O=C(Cc1ccc2c(c1)CCCO2)NCCn1cncn1 579358139 KANHTAYWWZKPDV-UHFFFAOYSA-N 286.335 0.962 0 50 CCAA Nc1nccnc1C(=O)N[C@@]1(C(=O)O)CCc2ccccc21 678979138 QMOMCTSSURNVFE-HNNXBMFYSA-N 298.302 0.715 0 50 CCAA O=C(N[C@]12CCC[C@H]1CNC2)c1ccc2c(n1)CNCC2 1615554079 JMNYECMSYOGDKV-LRDDRELGSA-N 286.379 0.599 0 50 CCAA CC[C@]1(O)CCN(c2ncc(F)c(N(C)C)n2)C[C@@H]1O 222223890 OGFMWTTUCMOQCV-GWCFXTLKSA-N 284.335 0.394 0 50 CCAA CC(C)[C@@]1(CO)CCN(CC(=O)N2CCN(C)CC2)C1 368002080 ZXHSUDARVPHYKC-HNNXBMFYSA-N 283.416 0.101 0 50 CCAA Cc1ccccc1CNC(=O)C(=O)NC[C@H]1CCCO1 2812184 ICEWNGRUTNXNHM-CYBMUJFWSA-N 276.336 0.906 0 50 CCAA CCS(=O)(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 4843172 OJIMIZQGMWLPPZ-UHFFFAOYSA-N 298.364 0.921 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CC(N(C)C)C1 1857529277 GICSDNIDUNMLPO-ZJUUUORDSA-N 292.383 0.828 0 50 CCAA O=C(c1cccc(O)n1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1857717292 PQCFSSOWOMIOTL-BXUZGUMPSA-N 299.330 0.858 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cc(C)ncn1 643829993 UQLAWDRCTLXZCT-AWEZNQCLSA-N 278.356 0.512 0 50 CCAA CC(=O)NCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 250752489 FGXRHWAKSXZWJX-MXWKQRLJSA-N 268.313 0.367 0 50 CCAA Cc1nc(CC(=O)N2CC[C@@H](C(=O)O)[C@@H](C)C2)n[nH]1 822443816 FFPYUMUOFOOWRF-IONNQARKSA-N 266.301 0.225 0 50 CCAA CN(C[C@@H](O)C1(O)CCCC1)[C@H]1CC[C@H](O)CC1 930249207 UVFIBRNXCKFMMI-JHJVBQTASA-N 257.374 0.888 0 50 CCAA CC(C)(C)OC(=O)[C@@]1(C)CCN(c2nc(N)nc(N)n2)C1 858566436 UQKGUOWVQVKLBT-ZDUSSCGKSA-N 294.359 0.594 0 50 CCAA CC(C)C[C@H]1NC(=O)[C@H](C[C@H]2CCCOC2)NC1=O 1875278778 DOPHIMHNOFDUKC-UTUOFQBUSA-N 268.357 0.832 0 50 CCAA O=C(c1cnsc1)N1CCc2nc(O)nc(O)c2C1 1875320365 AJFFFHSKFFIDJK-UHFFFAOYSA-N 278.293 0.543 0 50 CCAA CN1C[C@H]2CN(C(=O)NCc3cncn3C)C[C@H]2C1 894913239 LRUNETUGLSVLQZ-PHIMTYICSA-N 263.345 0.123 0 50 CCAA Cn1ncc2c(=O)n(C[C@H](O)C(F)(F)F)cnc21 330367144 OADYQHYDWBOJMK-LURJTMIESA-N 262.191 0.053 0 50 CCAA C[C@@]1(CNC(=O)[C@H]2CCc3nn[nH]c3C2)CCOC1 332771509 SOWOWNRGSJPPFX-ZANVPECISA-N 264.329 0.452 0 50 CCAA CC[C@H]1CN(C(=O)c2cnc(N)s2)CCN1C 584889471 SATFSUNJMCWPIT-QMMMGPOBSA-N 254.359 0.892 0 50 CCAA CC[C@@H](C)C(=O)C(=O)N[C@H](C)C(=O)NCC(C)C 2325811319 OWENBYJMQHGSMS-NXEZZACHSA-N 256.346 0.879 0 50 CCAA C[C@@](Cn1cccn1)(NC(=O)C1CC=CC1)C(N)=O 889645701 YXLLXGXHFMIPEF-ZDUSSCGKSA-N 262.313 0.210 0 50 CCAA Cc1cc2c(=O)n(C)c(SCC(N)=O)nc2s1 1060559 BVEGPBAEQYTXRD-UHFFFAOYSA-N 269.351 0.881 0 50 CCAA O=S1(=O)C[C@@H](Nc2ccccc2Cl)[C@@H](O)C1 1232221 NAQFNWLMABSPOE-ZJUUUORDSA-N 261.730 0.910 0 50 CCAA NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1 1678299 YLVGCKUYWFCKIV-LBPRGKRZSA-N 288.307 0.733 0 50 CCAA CCOc1ccc(S(=O)(=O)NCCCO)cc1 6703387 VRAHGYSAZKLMET-UHFFFAOYSA-N 259.327 0.746 0 50 CCAA O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCOCC1 101587786 VXCRDHAXAIKGBV-RYUDHWBXSA-N 292.335 0.187 0 50 CCAA Cn1c(CN2CCN(CCO)CC2)nc2ccccc21 22909978 NUEMSBDGHNNMMB-UHFFFAOYSA-N 274.368 0.683 0 50 CCAA CS[C@H](CO)[C@H](C)Nc1nccnc1C(=O)O 228448751 VVVMRJHFSVFNDD-NKWVEPMBSA-N 257.315 0.699 0 50 CCAA CS(=O)(=O)c1ccc(N2CC[C@@H](O)C2)c(F)c1 144997404 NMJCPXPANCZGAL-MRVPVSSYSA-N 259.302 0.800 0 50 CCAA Cn1nc(C(C)(C)C)cc1C(=O)NC1(C(N)=O)CC1 150740278 NLBNVPPSDVYTBV-UHFFFAOYSA-N 264.329 0.465 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)Cn1ccnc1 219626176 FWUUZYBNAIDNBD-SNVBAGLBSA-N 262.317 0.762 0 50 CCAA COC[C@@H](C)N1CCN(C(=O)CCC2CCNCC2)CC1 253418618 UDOVPCVLFSNYAR-CQSZACIVSA-N 297.443 0.945 0 50 CCAA CC(C)SCCN1CCCC[C@H]1CNS(N)(=O)=O 328597625 IEWKSRRMKPSPRM-NSHDSACASA-N 295.474 0.776 0 50 CCAA COC(=O)c1coc(CN2CCC[C@](O)(CO)CC2)n1 72169696 UACKXFRISQYHRV-CYBMUJFWSA-N 284.312 0.171 0 50 CCAA COC[C@@H](O)CN1CCC[C@@H]1CN(C(C)=O)C1CC1 328655022 XYUQNUBCOGLTAI-KGLIPLIRSA-N 270.373 0.469 0 50 CCAA Cc1cc(CS(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)on1 330113732 DGUKGBHXXLXJAY-GFCCVEGCSA-N 297.380 0.759 0 50 CCAA Cc1nc([C@H]2CCCN(Cc3cn[nH]c3C(=O)O)C2)n[nH]1 214972575 YKKARUKOKHVPTR-VIFPVBQESA-N 290.327 0.914 0 50 CCAA CCN1C[C@H](C(=O)N=c2cc[nH]cc2C(C)=O)CC1=O 330987792 JJYFOBUDEMKJNA-SNVBAGLBSA-N 275.308 0.513 0 50 CCAA C/C(=C\CC[P@@](=O)(O)OP(=O)(O)O)CO 34020319 YYYUHBYKZCBOPY-ZZXKWVIFSA-N 260.119 0.610 0 50 CCAA in-vivo CC(=O)N[C@@H](COC(C)=O)[C@@H](O)c1ccccc1 71771052 DPVWBNJZHVDKKE-STQMWFEESA-N 251.282 0.788 0 50 CCAA COc1nc(C)c(C(=O)N2CCOC[C@H](CO)C2)s1 77485943 LSQXRMFSVLEYPJ-VIFPVBQESA-N 286.353 0.541 0 50 CCAA O[C@H](CNc1ncnc2c1CCNCC2)CN1CCCC1 72440171 DFRJIZNQELOUAL-GFCCVEGCSA-N 291.399 0.033 0 50 CCAA Cc1ccc(N2CC[C@@H](C(=O)NCC(=O)O)C2=O)cc1 237783552 KTAJEEGZEOAHMJ-NSHDSACASA-N 276.292 0.549 0 50 CCAA CC(=O)N[C@H](C(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C 227492567 LWKZTOMARNTHMM-NHCYSSNCSA-N 256.346 0.783 0 50 CCAA Nc1nc(NCC2(CO)CCC2)cc(C2CC(N)C2)n1 223586460 LESWREBDXMTVKT-UHFFFAOYSA-N 277.372 0.838 0 50 CCAA CN1CC[C@H]2CN(C(=O)CCn3nnc4ccccc43)C[C@H]21 82134415 KHVXVGMLELOLFK-SWLSCSKDSA-N 299.378 0.984 0 50 CCAA Cc1c(CC(=O)N(C)[C@H]2CCN(C3CC3)C2)cnn1C 340188613 IXHMWMFFJHCQAY-AWEZNQCLSA-N 276.384 0.966 0 50 CCAA CC[C@@H]1CN(C(=O)Cc2cncn2C)C[C@@]2(CCOC2)O1 526034513 SRVBOVGBABPOJG-UKRRQHHQSA-N 293.367 0.759 0 50 CCAA O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccccc1 40386457 YPIAZKQFQZTKPC-VIFPVBQESA-N 271.280 0.875 0 50 CCAA CN(CCCO)C(=O)Cn1nccc1[C@H]1CCCNC1 426684575 WHKCHXWOPPSXEO-LBPRGKRZSA-N 280.372 0.191 0 50 CCAA Cc1cnc(CNC(=O)c2nc3nc(C)cc(C)n3n2)cn1 426443151 HCCQTHJFCDLSKW-UHFFFAOYSA-N 297.322 0.770 0 50 CCAA CCc1nccn1C[C@H](C)NCCN1CCNCC1 426530942 RRQUQXLXYGZXJZ-ZDUSSCGKSA-N 265.405 0.329 0 50 CCAA O=C(O)[C@@H]1Cc2[nH]cnc2CN1Cc1cccc2nonc12 97447025 UJZVBISYDWRVJL-LBPRGKRZSA-N 299.290 0.957 0 50 CCAA CCCCNC(=O)CN(C)C(=O)c1cnc(NCC)nc1 97772758 GHORQDJKMNPYAV-UHFFFAOYSA-N 293.371 0.897 0 50 CCAA Cc1n[nH]c(C)c1-c1nc(N2CCOCC2)n(C)n1 96140917 LSPXBOCKQIBMCO-UHFFFAOYSA-N 262.317 0.659 0 50 CCAA CCn1nncc1C(=O)N[C@H](C)C1CCOCC1 293671016 JONOIRMPBOQGKM-SECBINFHSA-N 252.318 0.843 0 50 CCAA Cc1ncc(C(=O)N(C)[C@@H](C)c2ccon2)c(=O)[nH]1 91505107 NZCPPILONPESKJ-ZETCQYMHSA-N 262.269 0.900 0 50 CCAA CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1C 257358412 UDGNJVOMHNFBJL-JSFFLRCESA-N 282.336 0.932 0 50 CCAA CN(C)c1cncc(NCCN2CCC(CO)CC2)n1 534655123 GMCWFALRGRWWCO-UHFFFAOYSA-N 279.388 0.659 0 50 CCAA CCCN(Cc1nccn1C)C(=O)N[C@H](C)C(=O)N(C)C 534584976 MUIFIGWOSLJTPU-LLVKDONJSA-N 295.387 0.818 0 50 CCAA CCOC[C@H](O)CNC(=O)NCCc1cccnc1 355932323 FDAWSVNHPSYHHF-GFCCVEGCSA-N 267.329 0.321 0 50 CCAA COCCn1ccnc1CN(C)Cc1nc(C)no1 824466388 QFAXCLMXIGPLQK-UHFFFAOYSA-N 265.317 0.853 0 50 CCAA CN(C)C[C@@]1(CO)CCCN(C(=O)c2cncc(O)c2)C1 670459216 MOGHSEJZMMDMDO-HNNXBMFYSA-N 293.367 0.564 0 50 CCAA COCCN1C[C@H](CNc2ccc(C(N)=O)cn2)CC1=O 670458334 RZDUXHBRQGGHEV-JTQLQIEISA-N 292.339 0.087 0 50 CCAA CCc1nc(CN(C)CCn2cnnc2C)no1 670446929 NJAKIFZVHQONJV-UHFFFAOYSA-N 250.306 0.664 0 50 CCAA O=C(Nc1ccc(F)c(Cl)c1)N[C@H]1CNC[C@@H]1O 1565510951 MBTJLBJTJPFOKO-UWVGGRQHSA-N 273.695 0.933 0 50 CCAA Cc1o[nH]c(=N)c1S(=O)(=O)NC(=O)C(C)(C)C1CC1 408478081 PRELZAMEXCIEQU-UHFFFAOYSA-N 287.341 0.637 0 50 CCAA C=CC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1 408515285 WWRFRYFHNRWKCW-UHFFFAOYSA-N 286.339 0.506 0 50 CCAA O=C(O)CCNC(=O)c1cn(-c2ccc(F)cc2)nn1 170044036 ROVMVARHYFHOAJ-UHFFFAOYSA-N 278.243 0.611 0 50 CCAA CONC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O 190068754 XDSYVNRDFXTQAA-LBPRGKRZSA-N 277.324 0.957 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2noc(C3CC3)n2)C1 643815261 IQHFFKJHRHYWRM-AWEZNQCLSA-N 294.355 0.410 0 50 CCAA CN1CCN(c2ccc(NC(=O)c3ncc[nH]3)cn2)CC1 665853468 KZZIGTDBALMZDI-UHFFFAOYSA-N 286.339 0.809 0 50 CCAA COc1ccccc1Cn1nnnc1N1CCCOCC1 1616031917 AYMHNYXYAUHRLC-UHFFFAOYSA-N 289.339 0.957 0 50 CCAA CN(Cc1ncon1)C(=O)C1(C(=O)O)CCCC1 911652917 DEMNCQXXYYNUMY-UHFFFAOYSA-N 253.258 0.673 0 50 CCAA CCOCCN1CCN([C@@H]2CCOC2=O)C[C@H]1C 247058325 FTFZIBPSBUTFNC-VXGBXAGGSA-N 256.346 0.345 0 50 CCAA COCCN1CCN(C[C@@H]2CCC(=O)N(C)C2)CC1 1772812626 MOUQQLGRMGVOAW-CYBMUJFWSA-N 269.389 0.119 0 50 CCAA CC(C)N1CC[C@H](N2C[C@H]3[C@@H](C2)C3(CO)CO)C1 1772804305 LQCYADXDEPOGOF-RWMBFGLXSA-N 254.374 0.002 0 50 CCAA OC1=NNC=Cc2c1cnc1nc(C(F)(F)F)nn21 12409608 WPNCCYPDINQVFU-UHFFFAOYSA-N 270.174 0.937 0 50 CCAA O=C(c1cccn2cnnc12)N1CC[C@@H]2NCCC[C@@H]2C1 1857697569 DQUPSKGTTCUNKT-YPMHNXCESA-N 285.351 0.943 0 50 CCAA N[C@H]1CC[C@H](C(=O)NCCOc2ccccc2)C[C@@H]1O 1857735715 HRVWJSDLENEDFQ-UBHSHLNASA-N 278.352 0.670 0 50 CCAA COC[C@H]1CCCN(c2nc(O)c3cnn(C)c3n2)C1 408147816 CVUFCCFYDJWAPB-VIFPVBQESA-N 277.328 0.932 0 50 CCAA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(O)n1 328728844 FBSZDRLRJSPUSD-GFCCVEGCSA-N 293.367 0.970 0 50 CCAA O=C(N[C@H]1CC=CCC1)N1CCN([C@@H]2CCNC2)CC1 335299139 RWNWMGSQGYJIMO-UONOGXRCSA-N 278.400 0.784 0 50 CCAA O=C(Cc1cn2ccccc2n1)N1CC[C@@](F)(C(=O)O)C1 262745562 JUWUOEZJAWWXSH-AWEZNQCLSA-N 291.282 0.902 0 50 CCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(Cc1cccnc1)C2 1704329706 YFRNSAHYZMAIGM-KBPBESRZSA-N 291.351 0.299 0 50 CCAA Cc1nnc([C@]23CCC[C@H]2CN(c2nnnn2C)C3)o1 912373735 QBKLAZKVXJFPEZ-CABZTGNLSA-N 275.316 0.460 0 50 CCAA CC[C@H]1C(=O)NCCCN1CCO[C@@H]1CCOC1 933233811 LKPGXRTXTRTDSX-NEPJUHHUSA-N 256.346 0.392 0 50 CCAA Cn1nc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1C(F)F 934093248 LIMMLQFJLINRKS-SSDOTTSWSA-N 298.293 0.851 0 50 CCAA Cc1cc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)on1 1875252413 VKHLKPPNRAHRBX-MRVPVSSYSA-N 273.314 0.539 0 50 CCAA CC(C)N(C(=O)Cc1nnn(C(C)(C)C)n1)[C@@H](C)C(=O)O 1875323349 FQNULRQZXCETMB-VIFPVBQESA-N 297.359 0.681 0 50 CCAA O=C(NCC1(n2ccnn2)CC1)[C@@]12C[C@H]3CC[C@H](N3)[C@@H]1C2 1875404510 LFRPCCARUBBWKT-OXJKWZBOSA-N 287.367 0.414 0 50 CCAA COCc1nccc(N[C@H]2CCCN(C(N)=O)C2)n1 892741021 MYKMNUAGYDGSMN-VIFPVBQESA-N 265.317 0.578 0 50 CCAA CC[C@@H]1C[C@H]1NS(=O)(=O)c1cnn2ncccc12 1775989442 NWNTUHGNBVZPPD-RKDXNWHRSA-N 266.326 0.806 0 50 CCAA COc1cccc([C@@H](C(=O)O)N2CCNCC2)c1 37963507 QCWJCNJQHRBLNG-LBPRGKRZSA-N 250.298 0.726 0 50 CCAA in-vitro COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCOCC2(CC2)C1 253419097 JXKDCRKEGZGTLQ-GHMZBOCLSA-N 267.325 0.825 0 50 CCAA CCNc1nc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)cs1 282323183 WDZOTPXDCGESOR-QMMMGPOBSA-N 282.369 0.878 0 50 CCAA Nc1nc2c(c(NC[C@H]3CCS(=O)(=O)C3)n1)CCCC2 91746185 XKGLYXCPLMSZKC-SECBINFHSA-N 296.396 0.784 0 50 CCAA Cn1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)n1 1341346931 LSLIGSHRROOBAE-CHWSQXEVSA-N 256.309 0.775 0 50 CCAA COC(=O)c1ccc(OC[C@H]2CNC(=O)O2)cc1 380680 YNAGFUQOMIAQJN-SNVBAGLBSA-N 251.238 0.960 0 50 CCAA CC[C@H](CO)NC(=O)C(=O)Nc1cccc(OC)c1 2851493 JDYWGYFQYKISMK-SECBINFHSA-N 266.297 0.521 0 50 CCAA CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 3979132 UMQUQWCJKFOUGV-VIFPVBQESA-N 279.340 0.984 0 50 CCAA in-vivo Nc1ncnc2c1ncn2CCNCCCCCO 4334664 CVPTTZZCRDVGSU-UHFFFAOYSA-N 264.333 0.161 0 50 CCAA investigational C[C@@H](C(=O)NCc1ccco1)[C@@H](C)S(C)(=O)=O 225702118 ISZVSEBZEMXUSE-RKDXNWHRSA-N 259.327 0.965 0 50 CCAA COCCS(=O)(=O)N[C@@H]1CN(C(C)C)C[C@H]1C 247008002 OIIJCDALQUOXND-GHMZBOCLSA-N 264.391 0.281 0 50 CCAA CN(Cc1nncn1-c1ccccc1)S(C)(=O)=O 67676325 UOACPJWWPUTMSC-UHFFFAOYSA-N 266.326 0.659 0 50 CCAA Cc1ccoc1C(=O)N1Cc2cnn(CCO)c2C1 67561909 JCHDJEUVXAQJRI-UHFFFAOYSA-N 261.281 0.933 0 50 CCAA CCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC)c1 33359673 NBFCSJQAPKHUEL-UHFFFAOYSA-N 276.745 0.998 0 50 CCAA O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc[nH]1 332123755 ALJIEOXTFQLDHM-GFCCVEGCSA-N 277.324 0.524 0 50 CCAA CCOC(=O)c1nnn(CC(C)=O)c1C(=O)OCC 216698313 NVGACCOYXZKQON-UHFFFAOYSA-N 269.257 0.221 0 50 CCAA CN(C)C[C@]1(O)CCN(C(=O)CCOc2ccccc2)C1 72164489 TYEXAODADOQOHN-MRXNPFEDSA-N 292.379 0.981 0 50 CCAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCC=C(C)C 365384887 LHCMRLFTHZWHGX-VXGBXAGGSA-N 254.330 0.441 0 50 CCAA COc1cccc2c1OC[C@H](NC(=O)C(=O)O)C2 364885604 UAFLPGMZMRXCSY-MRVPVSSYSA-N 251.238 0.200 0 50 CCAA O=C(NCc1nc(=O)[nH][nH]1)c1ccccc1OC(F)F 216387291 QAYXHXXMQRJNNA-UHFFFAOYSA-N 284.222 0.629 0 50 CCAA Cc1c(S(=O)(=O)N[C@H]2CCC[C@@H]2CN)cnn1C 261587142 UWAAJZWVBIFAFB-ZJUUUORDSA-N 272.374 0.134 0 50 CCAA O=C(N[C@H]1[C@@H]2c3ccccc3C[C@H]21)[C@@]1(O)CCOC1 334112973 DPPBSGHRZUOFOQ-RGCMKSIDSA-N 259.305 0.592 0 50 CCAA CN(C)c1ccc(CCNC[C@]2(O)CCCNC2)cc1 72418368 PKFDUOBWBXFACN-INIZCTEOSA-N 277.412 0.999 0 50 CCAA Cc1ccc(CS(=O)(=O)NCC(=O)O)cc1F 262462267 SLJMSMBRKLZTJD-UHFFFAOYSA-N 261.274 0.638 0 50 CCAA O=C1CCCN1CC(=O)N1CCC[C@H](N2CCCC2)C1 336167202 VIPNPOUKUBRRDW-ZDUSSCGKSA-N 279.384 0.696 0 50 CCAA Cn1[nH]c(CN2CCC[C@@H](C(F)(F)F)C2)nc1=O 336395960 LAJCXZBDUULMKC-SSDOTTSWSA-N 264.251 0.883 0 50 CCAA CCOc1ncccc1C(=O)N[C@H](C)c1nc(=O)[nH][nH]1 215370268 DQEYPCGANIOGQD-SSDOTTSWSA-N 277.284 0.383 0 50 CCAA CCC[C@H](C)C(=O)NCCNC1=NCCCCN1 521396956 SCXQFIRQUTWAAA-NSHDSACASA-N 254.378 0.868 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)NCc1cccnc1N 219856348 COYGQAIKCUOOBO-NSHDSACASA-N 296.396 0.538 0 50 CCAA CNc1cc(N2CCC[C@@H]2CNC(=O)COC)ncn1 173438437 NBONFDCJTNVSML-SNVBAGLBSA-N 279.344 0.250 0 50 CCAA C[C@@H]1CN(c2cnccn2)C[C@H]1C(=O)N1CCOCC1 284561638 IAMUFLXCWAKDGB-VXGBXAGGSA-N 276.340 0.408 0 50 CCAA Cn1cccc1C(=O)N[C@H]1CS(=O)(=O)C1(C)C 606444887 QYAQHXZAQBLGHQ-VIFPVBQESA-N 256.327 0.331 0 50 CCAA Cc1cc(NC(=O)CN(C)S(C)(=O)=O)sn1 176837819 GTYGWLJITPVAOO-UHFFFAOYSA-N 263.344 0.281 0 50 CCAA C[C@@H]1OCC[C@@]1(O)CNC(=O)c1nc[nH]c2nccc1-2 614205944 ZWDOCVZQLZBQFP-ISVAXAHUSA-N 276.296 0.179 0 50 CCAA O=C(O)[C@H]1CC(=O)N(c2cccc(-n3cncn3)c2)C1 199475285 GHCQGAZPDXSBFY-VIFPVBQESA-N 272.264 0.705 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)c2ccc(O)nn2)C1 91534910 CBJUECQBDQVZQO-CQSZACIVSA-N 295.339 0.433 0 50 CCAA COCCN(C)C[C@@H]1CN(c2ccncc2)C[C@@H]1CO 91586464 LYDLTFPDJNJTHS-ZIAGYGMSSA-N 279.384 0.705 0 50 CCAA CC(=O)N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 95390323 BXUAQUBPQXFTAQ-LBPRGKRZSA-N 288.355 0.786 0 50 CCAA Cc1nnc(Cn2ncc(N3CCCC3)cc2=O)o1 95388120 HRLQQBDHDHVDHI-UHFFFAOYSA-N 261.285 0.583 0 50 CCAA O=C(CN1CCCN(Cc2c[nH]cn2)CC1)N1CCCC1 180009951 MBBWMIFCQMFXMN-UHFFFAOYSA-N 291.399 0.540 0 50 CCAA CCCN1CCN(CCn2ccnc2C)C[C@H](C(=O)O)C1 97468198 NYXXUWUJGYFSTC-CQSZACIVSA-N 294.399 0.920 0 50 CCAA C[C@H](c1ccncn1)N(C)CC(=O)N1CCOCC1 244691691 JHKYZEBZEQSOJQ-LLVKDONJSA-N 264.329 0.328 0 50 CCAA COc1cc(NC(=O)CCN2CC(O)C2)cc(OC)c1 252484926 GKNOYYUQYIZGFU-UHFFFAOYSA-N 280.324 0.709 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)[C@H]1Cc2cc(F)ccc2O1 299747857 FJRGGEBOMZTTAU-CMPLNLGQSA-N 295.266 0.441 0 50 CCAA CN(CC(=O)O)c1ncc(CN2C[C@H]3CC[C@H]2C3)cn1 534590744 RBBHHVKIEZZYSJ-JQWIXIFHSA-N 276.340 0.982 0 50 CCAA CCO[C@H]1COC[C@@H]1Nc1cc(OC)nc(N)n1 534668539 DANNWLKAIUXBQO-YUMQZZPRSA-N 254.290 0.283 0 50 CCAA Cc1cc(N)n(CC(=O)N2CCC[C@@](C)(C(=O)O)C2)n1 299756789 IWTHVENNVILPOZ-CYBMUJFWSA-N 280.328 0.487 0 50 CCAA C[C@H]1Cc2cc(C(=O)N3CCS(=O)(=O)CC3)ccc2O1 299784801 JLMFLUCQVGGZRW-JTQLQIEISA-N 295.360 0.881 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)c1ccc(CO)o1 828825981 CYOGUUDXQJVRJC-UHFFFAOYSA-N 275.308 0.739 0 50 CCAA CCc1nnc(CN(C)C(=O)[C@H](C)NC(=O)OC)o1 584885015 NSCDUJFOWGLWAJ-ZETCQYMHSA-N 270.289 0.335 0 50 CCAA COCCn1cnnc1CN(C)Cc1nnc(C)o1 670467772 HKVMPNCXRWQFBD-UHFFFAOYSA-N 266.305 0.248 0 50 CCAA C[C@@H](NC(=O)N1CCC(N)CC1)c1cn2ncsc2n1 670447603 YEEBDHAFCUMXJS-MRVPVSSYSA-N 294.384 0.985 0 50 CCAA CS(=O)(=O)CCC(=O)NCc1ccc2nsnc2c1 670440534 BUJWPFIMYWKBLC-UHFFFAOYSA-N 299.377 0.742 0 50 CCAA CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)O)C1=O 685939242 GHXRIUWJKLBDEB-QMMMGPOBSA-N 257.286 0.651 0 50 CCAA C[C@H]1C(=O)N(C)CCN1C(=O)CCc1cn[nH]c1 863907619 HTMPUONIJDWSNM-VIFPVBQESA-N 250.302 0.031 0 50 CCAA Cc1nc(CN(C)[C@H](C)C(=O)N2CCCC2)no1 243957180 CHEXOIPFAMDNAG-SECBINFHSA-N 252.318 0.821 0 50 CCAA CC1=C(C(=O)N[C@@H](C)c2n[nH]c(C)n2)OCCO1 952974753 BPHQHYNEXCHKJZ-LURJTMIESA-N 252.274 0.569 0 50 CCAA C[C@H](OCCCNC(=O)[C@H]1C[C@@H](O)CN1)c1ccccc1 276586636 DDXOPMJUZDQRIW-NWANDNLSSA-N 292.379 0.993 0 50 CCAA C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H](C)c1cccnc1 170613288 GSYZPLLRVWNJFA-ZJUUUORDSA-N 285.369 0.539 0 50 CCAA C[C@H](OCC(F)(F)F)C(=O)N1CCO[C@@H](C(=O)O)C1 408513454 NGFBCUBLQXKZPU-NKWVEPMBSA-N 285.218 0.266 0 50 CCAA COCCN1CCCN(Cc2cccnc2)CC1=O 190766065 RARPAESCPAINHR-UHFFFAOYSA-N 263.341 0.762 0 50 CCAA COC[C@@]1(C(=O)NCc2c(C)noc2C)CCCN1 643663868 DTEODDZBFZBBBQ-CYBMUJFWSA-N 267.329 0.676 0 50 CCAA COC(=O)[C@H](O)C(C)(C)NCc1nc2ccccc2n1C 192305887 GPRFHLZELGVRRC-ZDUSSCGKSA-N 291.351 0.975 0 50 CCAA Cn1nccc1[C@H](NC(=O)[C@@H]1CC12CCOCC2)C(=O)O 647771849 WOXZZLCQOASXMG-ONGXEEELSA-N 293.323 0.479 0 50 CCAA Cc1cc(S(C)(=O)=O)cc(C(=O)NCCC(=O)O)c1C 569971454 AJQOAGYYYZXTJP-UHFFFAOYSA-N 299.348 0.911 0 50 CCAA O[C@]1(c2cnn[nH]2)CCCN(CC2CCOCC2)C1 794010467 RUCXMMQFZRYSAC-CYBMUJFWSA-N 266.345 0.515 0 50 CCAA Cc1nonc1CN1CC[C@@H](N(C)CCO)[C@H]1C 795546931 FTVPBQMBTYXLAW-ZYHUDNBSSA-N 254.334 0.265 0 50 CCAA CCc1nc(C)cc(N2CCC[C@](O)(C(N)=O)C2)n1 225475758 HHPLCAWDUJWGFJ-CYBMUJFWSA-N 264.329 0.164 0 50 CCAA COC(=O)c1c[nH][nH]c1=NC(=O)c1oc(C)nc1C 1875249831 DLFOIBMQWHRXBN-UHFFFAOYSA-N 264.241 0.475 0 50 CCAA CC(C)(N)C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704347191 JAWWBBVXUIOEEK-NEPJUHHUSA-N 263.341 0.493 0 50 CCAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)C[C@@H]2CCCCO2)C1 229310600 OVRHXNZGMZLQJA-AVGNSLFASA-N 290.429 0.815 0 50 CCAA CCN(C)C[C@@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 524698686 AWKYNCYHFQDBDJ-UONOGXRCSA-N 284.400 0.982 0 50 CCAA Cc1cc(C(=O)N2CCN(C(=O)N(C)C)CC2)ns1 335228373 BFEISEMOUJZHAB-UHFFFAOYSA-N 282.369 0.891 0 50 CCAA C[C@@H]1COCCN1CCNC(=O)c1ncccc1F 668254409 YFKYSQVJADGFNA-SNVBAGLBSA-N 267.304 0.671 0 50 CCAA CNC(=O)c1ccc(N2C[C@@H]3CCCN3C(=O)[C@@H]2C)nn1 1772711239 GLSMKFXNTGBMEP-UWVGGRQHSA-N 289.339 0.036 0 50 CCAA CN1C[C@H](CN2CCC3(CC2)CC(=O)N(C)C3)CCC1=O 1775980503 CBZGMLNNTICNSO-CYBMUJFWSA-N 293.411 0.799 0 50 CCAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1 82355 JFUFURNMLIXMKG-LBPRGKRZSA-N 262.309 0.770 0 50 CCAA in-vitro COc1ncnc2c1CN([C@@H]1CCCCNC1=O)CC2 120337903 KNZVYAOGZVLXBJ-GFCCVEGCSA-N 276.340 0.512 0 50 CCAA C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCO1 265141547 QKHATVBBJKLPEC-VIFPVBQESA-N 281.337 0.972 0 50 CCAA O=C(NOCCN1CCCC1=O)[C@H]1Cc2ccccc21 856040205 BBSRNILLLNXJFR-ZDUSSCGKSA-N 274.320 0.997 0 50 CCAA CC(C)[C@@H](CCO)NC(=O)C1CN(C)CCN(C)C1 863948180 QKSWSRYGNBNXRO-CYBMUJFWSA-N 271.405 0.003 0 50 CCAA CC(C)C[C@@H](C)OC(=O)N1CC2(C[C@@H](O)CNC2=O)C1 952884208 WAZIQZCAZBURPU-GHMZBOCLSA-N 284.356 0.740 0 50 CCAA O=C1C[C@@H]2COCCN2C(=O)[C@@H](CCc2ccccc2)N1 1875290336 UKNZLRDLFKSBEM-ZIAGYGMSSA-N 288.347 0.735 0 50 CCAA Cc1ccn2cc(CNC(=O)/C=C/CN(C)C)nc2n1 1875376039 WHZVBICXFQTASN-SNAWJCMRSA-N 273.340 0.772 0 50 CCAA CCCC[C@H](CN)NC(=O)c1cnc2[nH]c(O)nc2c1 1875346446 DRQPXHHBEAGCTE-SECBINFHSA-N 277.328 0.911 0 50 CCAA CO[C@]1(CNC(=O)c2cnn3ccncc23)CCCOC1 1875307076 JTJYSJCZPGTXNU-AWEZNQCLSA-N 290.323 0.655 0 50 CCAA CO[C@@H]1C[C@H](CNc2cccnn2)N(c2ccncn2)C1 1775959717 RYIMGVBQUDRPKW-VXGBXAGGSA-N 286.339 0.972 0 50 CCAA CCO[C@@H]1CCCN(C(=O)C2(OC)CCNCC2)C1 151897256 HRSFDHDWVJPGFB-GFCCVEGCSA-N 270.373 0.783 0 50 CCAA CC(C)[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)C 534648607 MJWOCPVYIDEKLG-SNVBAGLBSA-N 252.318 0.086 0 50 CCAA COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccco1 643971179 AYPYDOAVNAXAND-NSHDSACASA-N 289.309 0.534 0 50 CCAA CN1C(=O)[C@H](C(=O)NCC2CC(O)C2)Cc2ccccc21 2325781114 MGKLRKOVWNQYIM-GDKBPFBDSA-N 288.347 0.709 0 50 CCAA Cc1cc(C)n([C@H](C)CNC[C@@H](O)Cn2cccn2)n1 2325812545 TWTVCFPPTZAZQI-ZIAGYGMSSA-N 277.372 0.908 0 50 CCAA COC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2F)[C@H]1C 2325839104 IWPQTLZWBDIVPZ-QRNINRFLSA-N 298.358 0.733 0 50 CCAA O=C(O)CC[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O 56711 FEFFSKLJNYRHQN-SECBINFHSA-N 277.232 0.601 0 50 CCAA in-vitro CC[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)O 258731 PGPKGVWYCBSFDJ-JTQLQIEISA-N 273.310 0.837 0 50 CCAA aggregator CCCNS(=O)(=O)c1ccc(OCC(=O)OC)cc1 2838382 IIHFMFMYXFPAGI-UHFFFAOYSA-N 287.337 0.927 0 50 CCAA Cc1nccn1CCNC(=O)CN1C[C@H](C)O[C@H](C)C1 4945559 GEYOVDOVNRBBLI-TXEJJXNPSA-N 280.372 0.417 0 50 CCAA CC[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cncc(C)c1 1364048789 WKOGKTKEGHKSNS-GFCCVEGCSA-N 297.380 0.679 0 50 CCAA CCCn1ncc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)O)c1C 65409485 ABLIXKIDQCOVAZ-CMPLNLGQSA-N 295.339 0.652 0 50 CCAA COc1ccc([C@@H]2C[C@@H]2NC(=O)[C@H]2CNC(=O)N2)cc1 252512651 UEDLFNIFVLRAMO-SDDRHHMPSA-N 275.308 0.349 0 50 CCAA C=CC(=O)N(C)C[C@@H](O)COCc1ccc2c(c1)OCO2 328597452 HMFHJFXVQLCHRK-GFCCVEGCSA-N 293.319 0.937 0 50 CCAA Cc1cccnc1N1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 77486294 MHSPKQIKWSGTEO-UHFFFAOYSA-N 299.334 0.436 0 50 CCAA Cc1nc(CC(=O)N2CCC[C@H]2c2n[nH]c(=O)[nH]2)cs1 72478887 OVTYCRARLXOEGO-VIFPVBQESA-N 293.352 0.769 0 50 CCAA O=C1CC[C@H](C(=O)N2C[C@@H](F)C[C@H]2CO)n2cccc21 333276143 IPSFCYJUIUNNJN-JBLDHEPKSA-N 280.299 0.937 0 50 CCAA Cc1n[nH]c(C)c1CCN(C)C[C@]1(O)CCCNC1 77320146 JSEWDDLHYQCBOD-AWEZNQCLSA-N 266.389 0.615 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)o1 215061870 AHPNPSAEEKBDNH-AWEZNQCLSA-N 292.291 0.615 0 50 CCAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCNCC2)[nH]n1 237722831 RVOKJOAXEQORGZ-UHFFFAOYSA-N 288.355 0.472 0 50 CCAA C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N)C2)CCS1 335030904 ULADAMOVMLRVJV-MNOVXSKESA-N 285.413 0.290 0 50 CCAA CC1=C[C@@H](C)CN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 336455748 LWMOLZOCKXCJOI-KOLCDFICSA-N 272.370 0.781 0 50 CCAA COc1cc(C)nc(N2CCCN(CCO)CC2)n1 605147610 NEBSXLHMXZRXGD-UHFFFAOYSA-N 266.345 0.298 0 50 CCAA NC(=O)c1csc(N2CCC[C@@]3(CC2)CNC(=O)O3)n1 72147475 SJFHVGOIYOHKJC-GFCCVEGCSA-N 296.352 0.711 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(C)nc2)C1 284716957 CDGGTHAMJKJWAX-NWDGAFQWSA-N 250.298 0.612 0 50 CCAA CCc1cncc(C(=O)N2CC[C@](O)(c3c[nH]nn3)C2)c1 284748213 YNHJZKYQLNRMSZ-CQSZACIVSA-N 287.323 0.496 0 50 CCAA COC(=O)COCC(=O)Nc1nnc(C(F)F)s1 287394473 BBQHZYQUIGCUQR-UHFFFAOYSA-N 281.240 0.604 0 50 CCAA CS(=O)(=O)NC1=NCN(CCc2cccs2)CN1 40387254 SPNBICRSYUVPOB-UHFFFAOYSA-N 288.398 0.016 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)CCO1 178280124 ARTYTIYBJXJFMS-NSHDSACASA-N 289.291 0.417 0 50 CCAA NC(=O)[C@@H]1CCCC[C@H]1NC(=O)CN1CCCCCC1=O 177774963 BYDUFYZWJSVOFA-VXGBXAGGSA-N 295.383 0.549 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)NC1(C(=O)O)CCC1 426372293 QJYXPDOJUIRGMA-VIFPVBQESA-N 288.369 0.368 0 50 CCAA O=C(O)CC1(NC(=O)CN2CCC[C@@H](O)C2)CCCCC1 426477382 LRARIOICUDPSNH-GFCCVEGCSA-N 298.383 0.737 0 50 CCAA CO[C@H]1CN(C(=O)NCCc2ccncc2)C[C@@H]1O 426693767 OITOGDBGUZZANP-RYUDHWBXSA-N 265.313 0.025 0 50 CCAA O=C(N1CCC2(CCNC[C@H]2CO)CC1)C1(O)CCCC1 97594729 BNQBHNSUGMBHGN-ZDUSSCGKSA-N 296.411 0.502 0 50 CCAA COc1coc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cc1=O 333310223 NWZBCHRVGOMZIL-NYWQGFLHSA-N 277.320 0.850 0 50 CCAA c1cnc(N2CCCO[C@@H](CN3CCOCC3)C2)nc1 91536309 UYHBDXXBWLVXFG-ZDUSSCGKSA-N 278.356 0.404 0 50 CCAA CC(C)c1nccc(C(=O)N[C@@H]2CCCNC2=O)n1 426442797 AWNWZRBSBXBCGO-SECBINFHSA-N 262.313 0.608 0 50 CCAA CCOCCCNC(=O)CN1CCN(CC)CC1 342332443 GNSCSTPWWVDTPU-UHFFFAOYSA-N 257.378 0.167 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)[C@]1(F)CCNC1 299738757 GANXGTUPVUTBJU-LBPRGKRZSA-N 255.293 0.951 0 50 CCAA COC(C)(C)C(=O)NCc1nc(C(=O)O)cs1 181862250 WXQPTLFCUZSMNH-UHFFFAOYSA-N 258.299 0.883 0 50 CCAA O=C(NCCCCn1ccccc1=O)[C@H]1C[C@H]1C(=O)O 299750081 MPJMJMMKKXHVFA-WDEREUQCSA-N 278.308 0.465 0 50 CCAA CCCCO[C@H](C)C(=O)N1CCO[C@H](C(=O)O)C1 299748184 GJHJKNMPJYVFQS-ZJUUUORDSA-N 259.302 0.504 0 50 CCAA CC(C)C(=O)N1CCC[C@H](NC(=O)c2cncc(=O)[nH]2)C1 534577639 BQEWROTVYQDARV-JTQLQIEISA-N 292.339 0.147 0 50 CCAA CCc1nc(CN2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)n[nH]1 299782866 GNGSZXCIYMLXIA-UHIISALHSA-N 280.372 0.871 0 50 CCAA Cc1ccc(C(=O)N2CC(O)C2)cc1OCCCN 299762983 OBPSFBOIQZPTQK-UHFFFAOYSA-N 264.325 0.539 0 50 CCAA COCCN(C)CC(=O)N1CCC[C@@H](CN2CCCC2)C1 584898183 HYNFCPAGCNOCSI-HNNXBMFYSA-N 297.443 0.899 0 50 CCAA COc1nccnc1NCCN1CCC(CO)CC1 584901359 RKWGYUOTBZTUEW-UHFFFAOYSA-N 266.345 0.601 0 50 CCAA O=C(CCn1cnnn1)NCCc1cn2ccccc2n1 584884436 BVGLNFSFMURGHN-UHFFFAOYSA-N 285.311 0.070 0 50 CCAA O=C1OC[C@H]2CN(C3CSCCSC3)CCN12 670448476 ADOSHNZNNDMIQF-SECBINFHSA-N 274.411 0.971 0 50 CCAA Cn1nccc1CN1CCC[C@H](c2nnc(CO)n2C)C1 670439023 CGYBAYHMNGIAOS-NSHDSACASA-N 290.371 0.421 0 50 CCAA CO[C@@H]1COC[C@H]1NC(=O)NCc1ccc(C(=O)O)cc1 516462907 AETDRSFRBSBCBZ-VXGBXAGGSA-N 294.307 0.598 0 50 CCAA CC(C)S(=O)(=O)N1CCC[C@](CO)(CN(C)C)C1 952871714 CDTXVKBXJJHQDK-LBPRGKRZSA-N 278.418 0.361 0 50 CCAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2cn[nH]c2)C1 276517810 QIKMAXMNNHVFKD-ZDUSSCGKSA-N 278.356 0.593 0 50 CCAA O=C(CC1OCCCO1)NS(=O)(=O)C1CCC1 408123984 SASCNFYYCXXISP-UHFFFAOYSA-N 263.315 0.138 0 50 CCAA COC(=O)[C@]1(CO)CCCN1C(=O)OC(C)(C)C 219059439 XUAIAMRZYGVUOP-GFCCVEGCSA-N 259.302 0.921 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(CCOCC2CCCC2)C1 643807863 DTWLGTLFMWHISR-HNNXBMFYSA-N 284.400 0.896 0 50 CCAA O=C(O)CN1CC[C@H](n2cnc3sccc3c2=O)C1=O 663218796 HSNJWDJBVVAZAH-QMMMGPOBSA-N 293.304 0.316 0 50 CCAA CC1CCC(N(C)C(=O)CN2C[C@H](O)C[C@@]2(C)CO)CC1 583650902 BHGZGHZCPGUCHR-MNSOJDNVSA-N 298.427 0.841 0 50 CCAA Cc1cc(C(=O)NCCCN2CCCN(C)CC2)ncn1 677552128 QMUHFRDFKCWANR-UHFFFAOYSA-N 291.399 0.542 0 50 CCAA COc1cccc(-n2cc(NS(=O)(=O)N(C)C)nn2)c1 585129223 CAZWDQGONKARII-UHFFFAOYSA-N 297.340 0.494 0 50 CCAA CN1C(=O)NCC12CN(C(=O)COCc1ccccc1)C2 1857676233 DTPLJHZFTJDIOJ-UHFFFAOYSA-N 289.335 0.439 0 50 CCAA CC[C@H]1CN(C(=O)NCC(=O)O)CCN1C(C)C 1506419727 JCNQRZMPCQKEAO-JTQLQIEISA-N 257.334 0.585 0 50 CCAA CN(C)CCc1nnc(NC(=O)c2cncn2C)s1 1506414428 PSAWGHHKUPQQMS-UHFFFAOYSA-N 280.357 0.628 0 50 CCAA COCCN1C[C@@H]2CC[C@H]1CN(c1cc(C)nc(N)n1)C2 219873954 BPDAXNBMZHXTFW-STQMWFEESA-N 291.399 0.914 0 50 CCAA N[C@H]1CC[C@H](NC2CCN(C(=O)c3cnccn3)CC2)C1 222172330 FMGALIWSOFBDCE-AAEUAGOBSA-N 289.383 0.551 0 50 CCAA CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)O 2504758 BWPKSNMGVTYXQQ-VIFPVBQESA-N 274.317 0.737 0 50 CCAA in-vitro O=C(NCC(=O)N1CCOCC1)c1ccc(Cl)cc1 4833341 WDVGQRCDMMOPEG-UHFFFAOYSA-N 282.727 0.929 0 50 CCAA CCc1ncc(S(=O)(=O)N2CCC[C@@H]2C2(O)CC2)[nH]1 1772810494 KINBRIGHNVCEKE-SECBINFHSA-N 285.369 0.650 0 50 CCAA CN1CCN(Cc2nnc3n2Cc2ccccc2OC3)CC1 1775981882 XXBRQNYRQLIEAS-UHFFFAOYSA-N 299.378 0.966 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccncc1O 408520856 XSCJPEYVITXDKH-LLVKDONJSA-N 277.324 0.774 0 50 CCAA Cn1nc(C(=O)N[C@@]2(CC(=O)O)CCOC2)cc1C1CC1 630204113 NYOXMGTYYGHTSJ-CQSZACIVSA-N 293.323 0.661 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H](C(N)=O)[C@@H](c2cnc[nH]2)C1 642881888 AVOVOFGSOJZINO-DTWKUNHWSA-N 280.328 0.846 0 50 CCAA CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ncc[nH]1 252477679 TTXSBAYGRVUACE-WDEREUQCSA-N 286.401 0.559 0 50 CCAA O=C(O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccon1 262681368 SUBAKLVDQUQLAX-VIFPVBQESA-N 274.298 0.444 0 50 CCAA CNC(=O)[C@H]1CCCN(C(=O)COc2cccnc2)C1 264792487 SFVNSUUPUHJHDZ-NSHDSACASA-N 277.324 0.445 0 50 CCAA CC(C)(C)c1nc(Cn2cc(C(N)=O)nn2)no1 853678027 AFFKJUCDDBQSNS-UHFFFAOYSA-N 250.262 0.106 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCCO)n[nH]c21 1875294862 XVNJBAJQFXHSCR-BDAKNGLRSA-N 267.329 0.886 0 50 CCAA COC(=O)/C=C/CNC(=O)c1nc(C)[nH]c2nccc1-2 1875333410 SNILVCIPWCQBSM-ONEGZZNKSA-N 274.280 0.677 0 50 CCAA O=C(CN1CCS[C@H]2CCCC[C@H]21)NCc1nn[nH]n1 1875331083 NYZBZUOFYJPWLJ-ZJUUUORDSA-N 296.400 0.176 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H](c1ncc(C)[nH]1)C1CC1 1875367648 ZQJJFOBAHHOOSZ-CYBMUJFWSA-N 276.340 0.930 0 50 CCAA Cc1cc(N2CC[C@@H](n3cc([C@@H](C)O)nn3)C2=O)n(C)n1 881330381 PPEYGAFVHUPRHZ-MWLCHTKSSA-N 290.327 0.351 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CC1)CNS(=O)(=O)C2 1775955163 ZPDHIPOWAHMJLI-UHFFFAOYSA-N 290.385 0.937 0 50 CCAA CO[C@@H]1CCN(C(=O)c2cn(CC(F)(F)F)nn2)C1 899699428 KXWNPJCOLJBYML-SSDOTTSWSA-N 278.234 0.701 0 50 CCAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H](N)C1 237614742 IKCPATNGEKUKCO-SNVBAGLBSA-N 282.365 0.572 0 50 CCAA C[C@H]1C[C@@H](NC(=O)c2ccnc(CN)c2)CCN1C 130435639 BYHAEYKWLAHVLA-JQWIXIFHSA-N 262.357 0.753 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C2CC2)CCO1 238196844 LJERFJQCMBQKRF-MXWKQRLJSA-N 253.298 0.735 0 50 CCAA COCCN1CCN(C(=O)c2cccc(CN)c2)CC1 252509740 YUQDBFUFMZTZCW-UHFFFAOYSA-N 277.368 0.550 0 50 CCAA Cn1nnc(CN(Cc2ccco2)C[C@@H]2CCCO2)n1 194443147 ZHHQQZSJGNCIFX-LBPRGKRZSA-N 277.328 0.984 0 50 CCAA C[C@@H]1Oc2ccc(Cl)cc2N(C[C@@H](O)CO)C1=O 5751793 YIAHFLWLLVEPPS-IONNQARKSA-N 271.700 0.807 0 50 CCAA in-man O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 862045271 UTORPBLHNYXLRF-FUUJXVPSSA-N 277.320 0.622 0 50 CCAA CC1=C(C(N)=O)[C@H](c2ccccn2)N2N=CNC2=N1 71251 IYWZJDMCQAIMDW-JTQLQIEISA-N 256.269 0.100 0 50 CCAA CCNS(=O)(=O)c1ccc(C)c(C(=O)NC)c1 6704441 BUJFEFHDUPBNJM-UHFFFAOYSA-N 256.327 0.653 0 50 CCAA CCC(=O)N1CCCC[C@H]1C(=O)N1CC(=O)N(C)[C@@H](C)C1 225741798 SPTLCJANIBVENR-RYUDHWBXSA-N 295.383 0.467 0 50 CCAA COCCNC(=O)c1ccc(N2C[C@@H](F)C[C@H]2CO)nc1 343990526 UKXUYRWKDGYGFP-RYUDHWBXSA-N 297.330 0.367 0 50 CCAA COCCN1C[C@H](C(=O)NC2(CO)CCCCC2)CC1=O 53075004 XGXGGBBBYHYDKN-GFCCVEGCSA-N 298.383 0.293 0 50 CCAA Cc1nc(O)[nH]c(=O)c1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 106236387 JZEYETJCWURTQN-XHNCKOQMSA-N 299.352 0.251 0 50 CCAA O=C1N[C@@H](CC(=O)N2C[C@@H]3CC[C@H](C2)N3)c2ccccc21 65370869 UKESURQMUBRVGS-WDMOLILDSA-N 285.347 0.824 0 50 CCAA CN(c1cc(N(C)[C@@H]2CCOC2)ncn1)[C@H]1CCOC1 230225946 ZJDGKEAEOUYBJZ-TXEJJXNPSA-N 278.356 0.927 0 50 CCAA CC[C@H](CO)NS(=O)(=O)c1ccc(OC)cc1 35188658 QDUHDSHCMVWLAM-SECBINFHSA-N 259.327 0.744 0 50 CCAA Cn1cncc1CNC(=O)N1CCC(C)(CO)CC1 360290436 QHRRNBACXDQYFY-UHFFFAOYSA-N 266.345 0.724 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)[C@@H]1CCOC1 257365081 NWWYUNJORDPPAO-GRYCIOLGSA-N 274.386 0.274 0 50 CCAA Cc1nn(C)cc1C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 285682925 HVKQQJMMACFKDU-OLZOCXBDSA-N 278.356 0.274 0 50 CCAA C[C@H]1CN(C(=O)c2n[nH]c3ccccc3c2=O)C[C@H](C)N1 153970868 VLIHAGSRPKPCTO-UWVGGRQHSA-N 286.335 0.746 0 50 CCAA NC(=O)c1ccccc1CC(=O)N1CC[C@H](n2cccn2)C1 366096388 ZVHLFFKUDYGYFM-ZDUSSCGKSA-N 298.346 0.998 0 50 CCAA O[C@]1(CNCCc2nc3c(s2)CCC3)CNCCOC1 77406988 FLVNJJRMFRIYPK-CQSZACIVSA-N 297.424 0.115 0 50 CCAA COC(=O)c1sc(NCCNS(C)(=O)=O)nc1C 155994167 ZEHVCZBHYFIASZ-UHFFFAOYSA-N 293.370 0.199 0 50 CCAA O=C(O)CNC(=O)CN1CCC[C@H](Oc2ccccc2)C1 367980317 DMOBNDYHOFOMFN-ZDUSSCGKSA-N 292.335 0.731 0 50 CCAA C=CC(=O)NCCC(=O)N[C@H]1CCCCC12OCCO2 490644587 FYZJTYHAOBJPAW-NSHDSACASA-N 282.340 0.481 0 50 CCAA Cn1ccnc1CN1CC[C@H]2NCCC[C@]2(C(=O)O)C1 72151827 STYBKWMJYNNGGJ-RISCZKNCSA-N 278.356 0.449 0 50 CCAA O=C(CN1CCCCCCC1=O)N[C@H]1C[C@@H](C(=O)O)C1 263172483 GCERAHIQDMUKAG-PHIMTYICSA-N 282.340 0.759 0 50 CCAA CCn1cc(C(=O)N2CCCN(C(=O)C3CC3)CC2)cn1 158341537 VGNFFFDNTOTHJQ-UHFFFAOYSA-N 290.367 0.988 0 50 CCAA CC[C@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CCN1C(C)C 216254164 BRSMVTUDFXFEDB-JTQLQIEISA-N 294.355 0.008 0 50 CCAA CN(Cc1cnc(N2CCCC2)s1)C[C@@H](O)CO 216305383 CPPQTGDHEJLAQY-SNVBAGLBSA-N 271.386 0.528 0 50 CCAA CCCN1CCN(Cc2c[nH]cn2)[C@H]2CS(=O)(=O)C[C@H]21 72481101 KIPTYEXEGCCKEK-OLZOCXBDSA-N 298.412 0.103 0 50 CCAA N[C@@H]1CCCCN(C(=O)c2ccc3[nH]nnc3c2)C1 82108486 GOMMADNGDDXCEB-SNVBAGLBSA-N 259.313 0.911 0 50 CCAA COc1cccc(C(=O)N(C)C[C@@H](C)O)c1OCCCN 426510338 ZBSSQIBNEBFDBN-LLVKDONJSA-N 296.367 0.876 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1CCCCO1 228509992 ASNQJBJUPMRTGE-SNVBAGLBSA-N 258.318 0.030 0 50 CCAA Cn1nc2c(c1C(=O)N1CCO[C@H](C(=O)O)C1)CCCC2 426548663 YEUIVHOVOAHHER-NSHDSACASA-N 293.323 0.225 0 50 CCAA Cc1nc(CCN(C)C(=O)[C@H](C)N2CCN(C)CC2)no1 426423383 KMGLDNCXMIRMDD-NSHDSACASA-N 295.387 0.015 0 50 CCAA Cn1nc2n(c1=O)C[C@H](c1nc(-c3cccnn3)no1)CC2 95509815 ZCKQVSNJNIQXOS-MRVPVSSYSA-N 299.294 0.152 0 50 CCAA Cc1cc(C)n([C@@H]2CCN(C(=O)Cc3nc(O)n[nH]3)C2)n1 426428296 SGACCLUHTLNCQQ-SNVBAGLBSA-N 290.327 0.340 0 50 CCAA O=C1[C@H]2[C@H](C(=O)N1Cc1ccncc1)[C@H]1CC[C@H]2O1 239309629 HTMHCYIBYXFDHW-DDHJBXDOSA-N 258.277 0.744 0 50 CCAA Cc1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)c(=O)[nH]c1C 92097576 VIUFQKSIWHPMLN-VIFPVBQESA-N 282.321 0.032 0 50 CCAA Cc1ocnc1C(=O)NCCNC(=O)c1cccnc1 97259236 PFZPXVADJLDMJL-UHFFFAOYSA-N 274.280 0.538 0 50 CCAA CC(C)N1CCC(CC(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)CC1 92077756 GEMQISIPLWNCGS-JTQLQIEISA-N 295.387 0.786 0 50 CCAA Cc1cc(C(=O)N[C@H]2C[C@@H](O)C2)ccc1-n1cncn1 298082259 AMRQQSFEQMDKRC-TXEJJXNPSA-N 272.308 0.829 0 50 CCAA NC(=O)[C@H]1CCCN1CCC(=O)Nc1cccnc1 244858593 VOBQTRLKMZVVCY-LLVKDONJSA-N 262.313 0.360 0 50 CCAA Cc1nn[nH]c1C(=O)NCC1(N(C)C)CCCC1 534665371 NWIUHKAPCHLTJT-UHFFFAOYSA-N 251.334 0.717 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1cccc2c1NCCC2 534660450 KOSCWVAUBUHDGS-STQMWFEESA-N 275.352 0.761 0 50 CCAA Cc1cc(N2C[C@@H]3CCN[C@@H]3C2)nc(N2CCOCC2)n1 534645491 YSIAAPLOSCODNG-QWHCGFSZSA-N 289.383 0.420 0 50 CCAA Nc1nccc(N2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 299761569 KVWSMCYWFMOFKB-UWVGGRQHSA-N 273.300 0.001 0 50 CCAA Cc1nccn1CCCC(=O)N1CCN2C(=O)OC[C@@H]2C1 299765786 AZXURGKWPRHZIN-LBPRGKRZSA-N 292.339 0.635 0 50 CCAA O=C(NC1CCN(c2cnccn2)CC1)[C@H]1CCOC1 299765822 YBJDXLTYFRHODC-NSHDSACASA-N 276.340 0.598 0 50 CCAA Cc1cccc2[nH]c(CNC(=O)C3(C(N)=O)CC3)nc12 299770838 RMPFCSHENQHAOF-UHFFFAOYSA-N 272.308 0.753 0 50 CCAA COc1cccc(C(=O)N[C@@H]2CCOC2)c1OCCCN 299800861 SWJAPAIQEDGJSK-LLVKDONJSA-N 294.351 0.942 0 50 CCAA CN(CCCS(=O)(=O)N(C)C)CC1(CO)CCC1 828686004 UFAPFIWKRANPOG-UHFFFAOYSA-N 278.418 0.362 0 50 CCAA CCCc1nc(NC[C@H]2CC(=O)N(CCOC)C2)no1 823023302 AVTBWLIVGHJTGF-SNVBAGLBSA-N 282.344 0.929 0 50 CCAA CC(C)(C)n1nc(CC(N)=O)nc1-c1cc2ncccn2n1 826842462 UJIHMYAPSMOMMZ-UHFFFAOYSA-N 299.338 0.771 0 50 CCAA Cc1[nH]nc2c1CN(C(=O)CCc1nncn1C)CC2 584892840 WWMGUDZMBSKMIV-UHFFFAOYSA-N 274.328 0.364 0 50 CCAA O[C@H]1CN(CCCc2ccco2)C[C@@H]1N1CCOCC1 670473385 KHSBHNMFZKCHBN-GJZGRUSLSA-N 280.368 0.590 0 50 CCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCCSC(F)(F)F 915710427 GKOCXDWWKCHSQR-YFKPBYRVSA-N 299.274 0.344 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)c2cc(F)ccc2C)[C@@H](O)C1 991626722 OOCCMSMTCCEECA-KBPBESRZSA-N 294.326 0.846 0 50 CCAA Cc1ncc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)[nH]1 630131641 RMVTVNUTTKDSDX-JTQLQIEISA-N 281.312 0.814 0 50 CCAA O=C(CN1CCCCCCC1)NC[C@H]1CCNC[C@@H]1O 1565506939 DHHWIJLRJNRGFG-KGLIPLIRSA-N 283.416 0.339 0 50 CCAA CO[C@@H]1COCC[C@@H]1N(C)CC(=O)N1CCCC1 880425483 OMFWYVITZVLRDL-NWDGAFQWSA-N 256.346 0.345 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)O)C2)c1 547941687 ZBBRHWRSLWKBAL-ZJUUUORDSA-N 299.352 0.772 0 50 CCAA CCNC(=O)CNC(=O)CCc1cccc(N(C)C)c1 170607608 RULOICXSXUMOMC-UHFFFAOYSA-N 277.368 0.938 0 50 CCAA Cc1cc(NC(=O)[C@@H](C)N2CC(=O)N(CC3CC3)C2)on1 279145359 YASDNEDRPXJFDQ-SNVBAGLBSA-N 292.339 0.822 0 50 CCAA CO[C@H]1CN(C(=O)CSCC(N)=O)CC[C@H]1C 187992329 OLKQGXWRNWXGRU-BDAKNGLRSA-N 260.359 0.088 0 50 CCAA C[C@H]1C[C@@H](N2CCOCC2)CN1CCc1cnccn1 639641533 KTTRJLPLAQJGEZ-DZGCQCFKSA-N 276.384 0.814 0 50 CCAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@H](C)N 582240030 NGLXUTGOALIAFS-DCAQKATOSA-N 266.345 0.587 0 50 CCAA CNC(=O)[C@@H]1CCC[C@@H]1N=c1ccn2nccc2[nH]1 585092792 NYKGOWVBBBQUTN-ZJUUUORDSA-N 259.313 0.478 0 50 CCAA CC[C@H]1C(=O)NCCN1C(=O)CCC1CCNCC1 113221821 ZHSAIMVSIDQTSY-LBPRGKRZSA-N 267.373 0.503 0 50 CCAA CN(C)C(=O)[C@H]1CN(C(=O)CC2=CCCC2)CCO1 1857688651 VADVUGRRJJSYHH-GFCCVEGCSA-N 266.341 0.802 0 50 CCAA CN1C(=O)CCO[C@H]2CN(c3nccs3)C[C@@H]21 1857740881 RBIXYKKUQBSFFE-IUCAKERBSA-N 253.327 0.579 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2cn(C)cn2)C[C@H]1O 1875251189 QEXLUPXPCZIIPA-TZMCWYRMSA-N 281.356 0.406 0 50 CCAA Cc1ncc(CN(CCO)Cc2cccnc2N)[nH]1 1704303422 IPSIBNIMYIASOY-UHFFFAOYSA-N 261.329 0.690 0 50 CCAA Cc1ccc(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)o1 643993897 NJFDBNTWMXZCQN-CYBMUJFWSA-N 266.297 0.431 0 50 CCAA CCc1nc(=N[C@H]2CCC(=O)N[C@@H]2C2CC2)s[nH]1 376421729 QWMSTCJJACVHRD-GZMMTYOYSA-N 266.370 0.992 0 50 CCAA O=C(O)[C@@H]1COCCN(C(=O)CCCn2cccn2)C1 1775980197 WLIBCDWYCVUNFM-NSHDSACASA-N 281.312 0.223 0 50 CCAA O=C(C1CCC1)N1CCN(CC[C@@H]2COCCO2)CC1 1775980843 CNQIGSLFJMZFQK-CQSZACIVSA-N 282.384 0.736 0 50 CCAA O=C(O)/C=C\C(=O)NCCNC(=S)Nc1ccccc1 15836742 BWSVSYMGZWMCJF-SREVYHEPSA-N 293.348 0.730 0 50 CCAA CCOC(=O)[C@]12COCC[C@H]1CN(c1cncc(N)n1)C2 1857678885 UAUBAXXNQGRGOA-IINYFYTJSA-N 292.339 0.465 0 50 CCAA Cc1nc(-c2nccn2Cc2nc(O)n[nH]2)n(C)c1C 1857700476 IGWXXPCILXZCPU-UHFFFAOYSA-N 273.300 0.772 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(C)nc1O 407994024 YNRDGNCYBVSJQT-LLVKDONJSA-N 277.324 0.836 0 50 CCAA CCCCCNC(=O)c1nc(N)nc(N2CCOCC2)n1 328592634 QLNPXXKYZIHPES-UHFFFAOYSA-N 294.359 0.210 0 50 CCAA O=C(c1cc2n(n1)CCCO2)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 329900371 NSQIFUDIKNXRRU-LYIQGSDWSA-N 289.335 0.915 0 50 CCAA O=C(NCC1(C(=O)O)CCOCC1)[C@H]1CCCCO1 138138759 YFTSDAIUWBSFEV-SNVBAGLBSA-N 271.313 0.553 0 50 CCAA O=C(c1ccoc1C1CC1)N1CCO[C@@H](c2nn[nH]n2)C1 375991348 ADLZYNJHHGQUQN-SNVBAGLBSA-N 289.295 0.884 0 50 CCAA Cn1ncc(CN2CCOc3ccccc3[C@H]2C(=O)O)n1 903930803 IDKZITOIENYWRC-ZDUSSCGKSA-N 288.307 0.835 0 50 CCAA Cc1[nH]nc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)c1Cl 1704310953 WCZOEXWCEWIUGJ-ZJUUUORDSA-N 298.774 0.661 0 50 CCAA C=CC(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 1120459304 IICVWQOOPANGDD-UHFFFAOYSA-N 286.328 0.748 0 50 CCAA CC1=C(C)C[C@](C)(C(=O)N[C@@H](CO)C(N)=O)CC1 935925318 BEXLEKLBKNCPLL-GXFFZTMASA-N 254.330 0.475 0 50 CCAA C=CC(=O)N(C)CC(=O)NC(C)(C)C(=O)N1CCCC1 861488298 OCYVIRISFRKJTE-UHFFFAOYSA-N 281.356 0.148 0 50 CCAA COC[C@H]1CN(C(=O)NCC2(N(C)C)CC2)C[C@H](C)O1 864094328 QUVRQKVNWKVHAR-NWDGAFQWSA-N 285.388 0.526 0 50 CCAA O=C(NCc1nc(=O)o[nH]1)c1ccc(-c2cn[nH]c2)cc1 1151977891 RENBEKBMUZMZBT-UHFFFAOYSA-N 285.263 0.683 0 50 CCAA COC(=O)/C=C/CCNC(=O)[C@@H](C(C)C)N1CCCC1=O 1875312177 VKLHNEOMFSXHJS-YOIVXCQUSA-N 296.367 0.869 0 50 CCAA CC[C@@H]1CN(C)CCN1C(=O)Cc1ccccc1C(N)=O 1875391301 VNOHKLSKENWIMS-CYBMUJFWSA-N 289.379 0.881 0 50 CCAA CCN(CC)C(=O)N1Cc2nn(C)cc2[C@H]1C(=O)OC 1775993285 PMNHVAKXWBPNII-NSHDSACASA-N 280.328 0.912 0 50 CCAA C=CC(=O)N1CCC[C@H](Cn2cc(C(=O)NC)nn2)C1 1776005248 BZVRBVBJXZEYPD-JTQLQIEISA-N 277.328 0.062 0 50 CCAA CN1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 100037282 MZUGQZOSAPNDII-CYBMUJFWSA-N 291.326 0.705 0 50 CCAA Cc1cc(NC[C@@H]2CCCS(=O)(=O)C2)n2ncnc2n1 329462461 QCXVNIOZIUPNQA-JTQLQIEISA-N 295.368 0.669 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1O)c1ccc2nccnc2c1 629219952 IACLAGJLVROIKC-AAEUAGOBSA-N 273.292 0.509 0 50 CCAA CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ncc[nH]1 647900826 VMFBRIGVKOTQOI-MNOVXSKESA-N 284.385 0.657 0 50 CCAA CCN([C@H](C)C(=O)O)S(=O)(=O)N(C)C1CCOCC1 899564192 GOBWFRUPWHUUMW-SECBINFHSA-N 294.373 0.137 0 50 CCAA COc1ccccc1C(=O)Nc1c[nH]c(=O)[nH]c1=O 4487589 VDLRWLUZPBRQHU-UHFFFAOYSA-N 261.237 0.324 0 50 CCAA CCO[C@@H]1C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O1 4521113 OSPOBRCWZOKNRC-TUAOUCFPSA-N 258.270 0.799 0 50 CCAA C[C@H](C(=O)Nc1nccs1)N1CCC(C(N)=O)CC1 10505762 REVDVPJREHKAHR-MRVPVSSYSA-N 282.369 0.667 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N2CCNC[C@H]2C)C1 226639196 OORYSZQYRLEKRE-GHMZBOCLSA-N 261.391 0.257 0 50 CCAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1cccc(-n2cnnc2)n1 1074581483 LFGLZJFADAUQMG-MVWJERBFSA-N 285.307 0.570 0 50 CCAA COc1cccc(C(=O)NCc2nc(=O)[nH][nH]2)c1C 216337886 YUIPTDSSQBWDRM-UHFFFAOYSA-N 262.269 0.345 0 50 CCAA CO[C@@](C)(CNC(=O)c1ccc(O)nn1)C1CC1 331822196 IHTXLMWKWDICEX-LBPRGKRZSA-N 251.286 0.727 0 50 CCAA CC[C@@H](NC(=O)[C@@H]1CCCCC(=O)N1)C(C)(C)O 358576120 GHBAFXHLPAFBBA-VHSXEESVSA-N 256.346 0.711 0 50 CCAA Cc1onc(N)c1S(=O)(=O)NCc1ccco1 72240901 FNVSHEQNVLELFP-UHFFFAOYSA-N 257.271 0.637 0 50 CCAA Cc1ccncc1C(=O)N1CC[C@H](CO)[C@@H](O)C1 72144214 GLXZVZRFUFQWNI-PWSUYJOCSA-N 250.298 0.205 0 50 CCAA COc1cc(C(=O)OC[C@H](O)CO)cc(OC)c1OC 71772165 VJOXHQFUIQIVNC-SECBINFHSA-N 286.280 0.222 0 50 CCAA CN1CCO[C@H](C(=O)N2CCC(C3CCOCC3)CC2)C1 157079397 XPGUSPFTGPBZQL-HNNXBMFYSA-N 296.411 0.982 0 50 CCAA CCN1CCO[C@@H](C(=O)NCc2cccc(CO)c2)C1 371885299 BYZTUVWLJSWFQX-CQSZACIVSA-N 278.352 0.516 0 50 CCAA Cc1cccn2c(=O)cc(CN3CC[C@](F)(CO)C3)nc12 338586894 FLODZUJOPRHOJH-OAHLLOKOSA-N 291.326 0.909 0 50 CCAA CCc1onc(C)c1C(=O)N1CCN([C@@H]2CCNC2)CC1 377572770 TVTUHBZAMUPGHO-GFCCVEGCSA-N 292.383 0.665 0 50 CCAA O=C(c1cn[nH]n1)N1CCOc2ccc(CO)cc2C1 72134360 HTEDVJAIZKMKBD-UHFFFAOYSA-N 274.280 0.332 0 50 CCAA CCCc1occc1C(=O)N1C[C@@H](OC)C[C@H]1C(N)=O 284834255 MZUKKDRPLXTHMZ-ONGXEEELSA-N 280.324 0.947 0 50 CCAA COC[C@@H]1CN(C(=O)c2cn[nH]c2C)CC(C)(C)O1 285398201 FTMGKDCRGMRCFP-JTQLQIEISA-N 267.329 0.984 0 50 CCAA CN(C(=O)c1cc(C(C)(C)C)on1)[C@@H]1COC[C@H]1O 287156375 FKCIUAVTEJVKRI-NXEZZACHSA-N 268.313 0.804 0 50 CCAA CCn1c(C)ccc(C(=O)N(C)Cc2ncon2)c1=O 426597371 GTYFXHLKRWMIJZ-UHFFFAOYSA-N 276.296 0.832 0 50 CCAA COC[C@H](c1ccccn1)N(C)C(=O)NCCC(N)=O 426443045 SCSBAUUMJNQRBD-LLVKDONJSA-N 280.328 0.286 0 50 CCAA Cc1ccn2c(C(=O)NC[C@H]3CCCO3)nnc2n1 426443083 DEQORYFFBDSVCQ-SECBINFHSA-N 261.285 0.342 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)N(C)[C@H]2CCNC2)n1 179122739 AYKLEYBINYXDDV-RYUDHWBXSA-N 250.346 0.881 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C)n(C)c1=O 426420516 YRDZPVFCCKNOFQ-LBPRGKRZSA-N 291.351 0.434 0 50 CCAA COCC[C@]1(O)CCN(C(=O)C2(N)CC2)C[C@H]1C 91808425 WXPLEMUXCOQSCM-ZWNOBZJWSA-N 256.346 0.114 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H]2CCNC[C@H]2O)s1 534645994 IBSNLUATAOBREO-RKDXNWHRSA-N 276.383 0.058 0 50 CCAA COCCc1noc([C@@H]2CC(=O)N(C(C)C)C2)n1 96180885 RBGGIPABTFRORY-SECBINFHSA-N 253.302 0.983 0 50 CCAA Cc1ccc([C@@H]2CN(C(=O)CO)C[C@H]2N(C)C)cc1 95528089 DDHDZYXBTLNONV-UONOGXRCSA-N 262.353 0.843 0 50 CCAA O=C(C1CCN(CC[C@H]2CCOC2)CC1)N1CCOCC1 437584101 YZZJGOLFKDUNBH-AWEZNQCLSA-N 296.411 0.984 0 50 CCAA O=C(NCC(=O)N1CC2(CCOC2)C1)c1cccnc1 294411902 MYAQTQPAIQRIBF-UHFFFAOYSA-N 275.308 0.060 0 50 CCAA Cn1cc([C@H](NC(=O)Cc2c[nH]cn2)[C@H]2C[C@@H](O)C2)cn1 244899798 ZQHMCDODNAQYPI-LJWDBELGSA-N 289.339 0.314 0 50 CCAA CNS(=O)(=O)N1CCc2c(O)ccc(F)c2C1 2325805912 CRRGIIJPJOOMDG-UHFFFAOYSA-N 260.290 0.354 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CCC(N)CC1 534581174 YWPNCXFFYGMHQH-UHFFFAOYSA-N 272.374 0.576 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1O 261493605 FRLQBOQOJKLDMI-UHFFFAOYSA-N 257.311 0.722 0 50 CCAA CCn1cnnc1[C@@H](C)NS(=O)(=O)c1cccnc1 823592649 ZHAXHVVKHZIHKH-SECBINFHSA-N 281.341 0.733 0 50 CCAA COC[C@H]1CCCN1S(=O)(=O)NCC(C)(C)COC 824371081 UDQHPBZCBMDFBU-LLVKDONJSA-N 294.417 0.604 0 50 CCAA Cc1nc(CN2CCC(N(C)CCO)CC2)n(C)c1C 670467099 COEGPNVMBZCRAX-UHFFFAOYSA-N 280.416 0.925 0 50 CCAA CC(C)c1ncc(C(=O)N[C@H](C)c2nc(N)n[nH]2)cn1 584884234 AKYUSUKSKGSSFG-SSDOTTSWSA-N 275.316 0.791 0 50 CCAA O=C1CN(CCn2cnnc2)CCN1CCc1ccccc1 670465143 MVADRAQHLODPQW-UHFFFAOYSA-N 299.378 0.665 0 50 CCAA CC[C@H]1CCCCN1CC(=O)NCC1(O)CCN(C)CC1 670455070 VSQRWUGFDGHWAF-AWEZNQCLSA-N 297.443 0.824 0 50 CCAA CN1CCCCC[C@H]1C(=O)N1CCC2(CC1)CNC(=O)C2 952874007 SQFHYWWSFYUFMV-ZDUSSCGKSA-N 293.411 0.990 0 50 CCAA CC1(CNC(=O)[C@@H]2CCCN(CC(N)=O)C2)CCCC1 952967696 KUIGLUXSJXVZEU-GFCCVEGCSA-N 281.400 0.880 0 50 CCAA CC1(C(=O)NC[C@H]2CCCN(C(=O)CO)C2)CCCC1 952977124 SKFNNPAJHDNLBV-GFCCVEGCSA-N 282.384 0.914 0 50 CCAA O=C1N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC[C@H]12 211865503 QEUBZZYHXSGWAV-VXGBXAGGSA-N 262.284 0.858 0 50 CCAA COc1cccc(SCC(=O)N[C@H]2CCNC[C@@H]2O)c1 1565509343 SGEKUCBIBFZVBJ-STQMWFEESA-N 296.392 0.626 0 50 CCAA C[C@@H]1[C@@H](C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1(F)F 408233338 TUBFFERDJDHGDO-PRJMDXOYSA-N 259.256 0.124 0 50 CCAA O=C1[C@@H]2CCCCN2C(=O)N1CCCN1CCOCC1 170607718 ANZDZORMELKJSG-LBPRGKRZSA-N 281.356 0.525 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1ccc2[nH]c(=O)[nH]c2c1 169980521 DZEDANBYGKZSCL-UHFFFAOYSA-N 278.117 0.110 0 50 CCAA CCS(=O)(=O)CCn1nnc(-c2ccco2)n1 193411607 QBUDOAREFMPTES-UHFFFAOYSA-N 256.287 0.368 0 50 CCAA C[C@@H]1CN(CCNC(=O)c2cccc(C(=O)O)c2)CCO1 567987405 BLOLSMTVHKVKRM-LLVKDONJSA-N 292.335 0.835 0 50 CCAA O=S1(=O)C=C[C@H]2ONC(c3cccc(O)c3)=C21 669385187 JCUOMFNMABQYNE-SECBINFHSA-N 251.263 0.906 0 50 CCAA Cn1ccnc(NCC2(CS(C)(=O)=O)CC2)c1=O 674413216 CRQDLAKWZQJRRY-UHFFFAOYSA-N 271.342 0.017 0 50 CCAA O=C(N[C@H](CO)C1(O)CC1)OCc1ccccc1 150110034 ZQPVQUQXMBCDFE-LLVKDONJSA-N 251.282 0.799 0 50 CCAA C=CS(=O)(=O)CCN1CCNC(=O)[C@@H]1c1ccccc1 1615553514 SDSPTICHOLFKKF-ZDUSSCGKSA-N 294.376 0.718 0 50 CCAA O=C(NCCOC[C@H]1CCOC1)[C@]1(O)C[C@H]2CC[C@H]1C2 1615585587 DLDUGIZMPLDPMM-ABHRYQDASA-N 283.368 0.707 0 50 CCAA N[C@H]1CC12CC(NC(=O)c1cccn(C3CC3)c1=O)C2 1615546946 QBOGBAARGRLADW-RHJSQNMRSA-N 273.336 0.793 0 50 CCAA CS(=O)(=O)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616076204 KJEIIJDHSHZOTI-KBPBESRZSA-N 296.392 0.704 0 50 CCAA Cc1nc(N2CCOCC2)sc1C(=O)N[C@H]1CCNC1 1857739071 CBMFOEGZQZLGTM-JTQLQIEISA-N 296.396 0.380 0 50 CCAA CCOCCC(=O)N1C[C@@H](O)[C@H](Cc2cc(C)no2)C1 1529125952 CYTJXIMOCZHWRM-DGCLKSJQSA-N 282.340 0.771 0 50 CCAA O=C(CCO)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529168044 WCXJATJEOFJSSJ-TZMCWYRMSA-N 265.309 0.330 0 50 CCAA Cn1ccc(C(=O)N2CC3(CCC3)CS2(=O)=O)c1 1875304261 FQMMSZJNQJCVHB-UHFFFAOYSA-N 268.338 0.981 0 50 CCAA C[C@H](C(=O)NCc1cccc(C(=O)O)c1)S(C)(=O)=O 135180439 ZHUFFWCHCQZLHS-MRVPVSSYSA-N 285.321 0.434 0 50 CCAA CCn1c(C)nnc1CN1CCOC[C@H]1CCOC 365834442 ANMXZRMWFDKVGZ-GFCCVEGCSA-N 268.361 0.844 0 50 CCAA CCc1nc(N)nc(N2CCN3C(=O)OC[C@@H]3C2)c1C 1772701057 HXYUWSINNAEQKH-VIFPVBQESA-N 277.328 0.570 0 50 CCAA CN(C)C(=O)[C@H]1CN(c2cnc3ccccc3n2)CCO1 1857680300 GIQDNEJNQYJIEA-CYBMUJFWSA-N 286.335 0.923 0 50 CCAA O=C1NC[C@@H](C(=O)N2CCOc3ccccc3C2)N1 1857682608 KOBMMUOOAWQUIF-JTQLQIEISA-N 261.281 0.089 0 50 CCAA NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 4272220 KRLDJQLCLSBYJY-UHFFFAOYSA-N 299.330 0.932 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1 4202901 ARLOIFJEXPDJGV-NSHDSACASA-N 264.281 0.682 0 50 CCAA in-vitro Cn1ncc(CN2CCOc3ccccc3[C@@H]2C(=O)O)n1 903930802 IDKZITOIENYWRC-CYBMUJFWSA-N 288.307 0.835 0 50 CCAA COc1cncc(S(=O)(=O)NCc2ocnc2C)c1 907597043 LURMHKJKXFUACR-UHFFFAOYSA-N 283.309 0.865 0 50 CCAA O=C(O)[C@@]12CCC[C@@H]1N(C(=O)[C@H]1C[C@@H](O)C1)CC2 910391444 KCLUZNZVJMHVSQ-MPXOCVNLSA-N 253.298 0.613 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@@H]1CCC[C@@H](N)C1 237134833 TULLAPYRDNQTST-VXGBXAGGSA-N 267.373 0.585 0 50 CCAA C[C@H]1OC(=O)N[C@H]1C(=O)NCC(=O)c1cccc(F)c1F 869561550 PSQJIKZLOSUGBC-KSBSHMNSSA-N 298.245 0.761 0 50 CCAA Cn1c(C(=O)N[C@H](CC(=O)O)C(=O)O)cc2ccccc21 1875349602 DJGNAKACPUUTLI-SECBINFHSA-N 290.275 0.836 0 50 CCAA CC(C)Cc1cc(=NC(=O)[C@@H](O)Cc2ccccn2)[nH][nH]1 1875321464 JNFICOQDAAELIU-ZDUSSCGKSA-N 288.351 0.967 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)Nc1cncc2c1CCC2 1875401122 GDKJRYJWAUFRAO-ZWNOBZJWSA-N 261.325 0.479 0 50 CCAA O=c1cc(CN2CCC[C@@H](n3nccn3)C2)[nH]c2ccnn12 1775996615 AMELLHHHUZHTNY-GFCCVEGCSA-N 299.338 0.451 0 50 CCAA Cc1cccc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1F 285406046 HEESSCJHHWYKHV-AWEZNQCLSA-N 280.299 0.587 0 50 CCAA O=C(O)CN(C(=O)[C@@H]1CCCS1(=O)=O)C1CCC1 655587629 VYOZMQYUGBHRGR-VIFPVBQESA-N 275.326 0.029 0 50 CCAA C[C@@H](ONS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)O 709056071 CEOMJPUUNSTHDU-MRVPVSSYSA-N 285.321 0.858 0 50 CCAA Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)NCCO 1821694 MASXEBZBCDXCPU-SNAWJCMRSA-N 285.321 0.363 0 50 CCAA c1ccc2c(c1)c(N1CCOCC1)nn1nnnc21 1757993 CTMGUNZNMOACAV-UHFFFAOYSA-N 256.269 0.509 0 50 CCAA Cn1c(=O)[nH]c2nnc(/C=C/c3ccccc3)nc2c1=O 3984581 UMFNKVICJQZYQM-BQYQJAHWSA-N 281.275 0.582 0 50 CCAA biogenic CCc1ccccc1N[C@H]1CS(=O)(=O)C[C@H]1O 4158576 RLDPGUMJZNEKKX-NWDGAFQWSA-N 255.339 0.819 0 50 CCAA C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 4899428 FVSDTYGQCVACMH-BWKAKNAASA-N 265.331 0.733 0 50 CCAA COC(=O)Cc1cc(=O)n2nc(-c3ccccc3)nc2[nH]1 100071891 UOZGPSVDMOZGJQ-UHFFFAOYSA-N 284.275 0.800 0 50 CCAA O[C@H]1CCN(c2ncnc3sc4c(c23)CCNC4)C1 65374745 OKIREQQQYLEVHV-QMMMGPOBSA-N 276.365 0.908 0 50 CCAA Cn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2 267655 SFOMBJIIZPCRJH-UHFFFAOYSA-N 269.264 0.041 0 50 CCAA biogenic CO[C@H](C)C(=O)NC1CCC(NC(=O)[C@@H](C)OC)CC1 330437157 PSOWXORRVFAZAW-QYNFOATHSA-N 286.372 0.600 0 50 CCAA c1ccc(CCN=c2[nH]ccc(=N[C@@H]3CCCOC3)[nH]2)nc1 328633213 LWVQUSWFZLTHQY-CQSZACIVSA-N 299.378 0.961 0 50 CCAA CC(C)N(C)CC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328627992 NGUPOCMPJZCCCK-LBPRGKRZSA-N 279.388 0.565 0 50 CCAA O=C(O)C[C@@H]1COCCN1S(=O)(=O)c1ccccc1 128303936 HPUQCTCFDLTAGL-SNVBAGLBSA-N 285.321 0.551 0 50 CCAA CC(C)(CC(=O)N1CCOC[C@H]1C(N)=O)C(F)(F)F 369174617 PVPBJAWCBIPTDN-ZETCQYMHSA-N 282.262 0.678 0 50 CCAA CNC[C@H](C)C(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 263270205 OTRRVZXZVUYNBP-GBJTYRQASA-N 297.443 0.942 0 50 CCAA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1ccco1 220462724 ODAKRTWWADTSAD-NEPJUHHUSA-N 282.340 0.745 0 50 CCAA CN1CC[C@@]2(CCN(C(=O)NCc3cncn3C)C2)C1 291826569 FNYKJLKYYUGGON-CQSZACIVSA-N 277.372 0.657 0 50 CCAA COC(=O)[C@]1(C)CCN(C(=O)Nc2nncs2)C1 177062250 JEEVKTJCZMLOFH-SNVBAGLBSA-N 270.314 0.955 0 50 CCAA C[C@H](C(=O)N1CCOCC1)N1CCC[C@@H](c2ccn[nH]2)C1 229219773 XCFDXHXMGGWXBL-CHWSQXEVSA-N 292.383 0.836 0 50 CCAA CCn1c(C)ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1=O 426387143 UKFXPWFCULKWKU-AOOOYVTPSA-N 278.308 0.770 0 50 CCAA O=C(C[C@H]1CCOC1)N1CCC(O)(Cn2ccnc2)CC1 426541565 SBFIYANVTDGXES-CYBMUJFWSA-N 293.367 0.663 0 50 CCAA O=C(Cn1c(=O)[nH]c2ccccc21)NCC[C@@H]1CCNC1 178958512 PIZJHGWOOFWLLW-NSHDSACASA-N 288.351 0.445 0 50 CCAA Cc1nnc(CN(C)C(=O)NCCCn2ccnc2)o1 426621581 IARCLXVKQFLHFT-UHFFFAOYSA-N 278.316 0.806 0 50 CCAA COc1cccc2c1OC[C@H](CNC(=O)CNC(N)=O)C2 95357602 ZTDNSPPNVNQBEC-VIFPVBQESA-N 293.323 0.031 0 50 CCAA N=C(N)N1CCN(C(=O)OCc2ccccc2)CC1 144079924 YZQVHXJHBNPJED-UHFFFAOYSA-N 262.313 0.834 0 50 CCAA O=C(N1CCC2(CCNC[C@@H]2CO)CC1)C1(O)CCCC1 97594728 BNQBHNSUGMBHGN-CYBMUJFWSA-N 296.411 0.502 0 50 CCAA O=C(NCCOCc1ccc(Cl)cc1)[C@@H]1CNCCO1 97360173 OGSVRKHUVLNBBF-ZDUSSCGKSA-N 298.770 0.961 0 50 CCAA O=C(NCCc1nc2c(s1)CCC2)[C@H]1C=CCN1 534591472 VQRVLVWGWWBQMC-SNVBAGLBSA-N 263.366 0.819 0 50 CCAA Cc1cccn2cc(CNC(=O)CCCn3cnnn3)nc12 299786769 XJCNSNYFGXTFLI-UHFFFAOYSA-N 299.338 0.726 0 50 CCAA COc1cc(OC)nc(N2CCN3C(=O)OC[C@@H]3C2)n1 496055237 FPQWYXHLHVIYAX-QMMMGPOBSA-N 280.284 0.135 0 50 CCAA COc1cccc2ncn(C[C@H]3CNCCO3)c(=O)c12 670444984 ZCSITLUDZMWOHC-SNVBAGLBSA-N 275.308 0.394 0 50 CCAA O=C(O)CCC(=O)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565529433 ISXMPVLAFSTWCU-RYUDHWBXSA-N 285.340 0.942 0 50 CCAA C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2cccc(=O)n2C)C1 1455678167 UMUCFGYBMKHIMX-SNVBAGLBSA-N 286.335 0.943 0 50 CCAA CCOC[C@H]1CCCN1C(=O)CCS(C)(=O)=O 952869925 QHTJQWRXBVLQBP-SNVBAGLBSA-N 263.359 0.449 0 50 CCAA C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O 630177737 UKFDAUPQPYPZQQ-SCZZXKLOSA-N 251.286 0.664 0 50 CCAA O=C(O)[C@H](C1CC1)N1CCN([C@H]2CCC[C@@H]2O)CC1 635017325 SUIVVIXNGCWMLR-AVGNSLFASA-N 268.357 0.381 0 50 CCAA Cn1cc(C(=O)N[C@@H]2CCN(C(N)=O)C2)c(C(C)(C)C)n1 408074632 UVZKARSEXGDBCZ-SECBINFHSA-N 293.371 0.600 0 50 CCAA CNC[C@H]1CCCN1S(=O)(=O)c1ccccn1 195555321 WXSJIOQOXQOWDW-SNVBAGLBSA-N 255.343 0.454 0 50 CCAA Cc1nc(Cn2nnc(C(=O)N3CCC[C@@H]3C)c2C)no1 567047357 ITXTVOOHIBXKEV-QMMMGPOBSA-N 290.327 0.951 0 50 CCAA C[C@H]1CN(c2ncnc3[nH]cnc23)C[C@@H](C)N1CCO 572107891 LCUKWFZPUBFVEX-AOOOYVTPSA-N 276.344 0.244 0 50 CCAA Cc1nccnc1N1CC[C@@H](n2cc(C(=O)O)nn2)C1 583625721 HQJKPINKGDQPAF-SECBINFHSA-N 274.284 0.526 0 50 CCAA Cc1ncccc1C(=O)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1615734297 DOSFIWWHGPLDSU-WFASDCNBSA-N 298.346 0.856 0 50 CCAA C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[C@@H](C(=O)O)C1)CS2 218270922 RWKXEFIEXPKHBG-KKFJDGPESA-N 298.364 0.374 0 50 CCAA O=C(c1ccoc1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529181829 PVMQRMBTIYOWOF-DGCLKSJQSA-N 273.292 0.745 0 50 CCAA Cc1nn(C)cc1NC(=O)CN1CC[C@H](C(=O)O)C1 1529181845 QFYLQIJFJMEKEC-VIFPVBQESA-N 266.301 0.074 0 50 CCAA Cn1cc[n+](C)c1CCCCCc1n(C)cc[n+]1C 1775976560 RUMKCILEKQDLJI-UHFFFAOYSA-N 262.401 0.968 0 50 CCAA CC(C)COC(=O)[C@@H](O)[C@@H](O)C(=O)OCC(C)C 17877836 ONZOGXRINCURBP-AOOOYVTPSA-N 262.302 0.107 0 50 CCAA Cc1nn(CC(=O)N2CCC[C@H](OC3CCC3)C2)c(=O)o1 630077657 VKNXGJUTSXBKSH-LBPRGKRZSA-N 295.339 0.705 0 50 CCAA Cn1ccnc(N2CCC[C@H](N[C@@H]3CCCOC3)C2)c1=O 328647529 TZWFNXPONFEOII-QWHCGFSZSA-N 292.383 0.518 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CCN1Cc1cnn(C(C)C)c1 247985852 IOAPKWCEHLCMMV-OLZOCXBDSA-N 281.356 0.962 0 50 CCAA CO[C@H]1CN(C(=O)N=c2ccc(C3CC3)n[nH]2)CCO1 585119986 DWBQVXLMBBKTNK-GFCCVEGCSA-N 278.312 0.613 0 50 CCAA O=C(OCCF)N1CCN(CC(F)(F)CO)CC1 874433472 JKDRMFAQXOAQFZ-UHFFFAOYSA-N 270.251 0.338 0 50 CCAA CS(=O)(=O)C1CN(C(=O)c2ccc(O)c(F)c2F)C1 1875392528 HBYWGXGBAQMHBV-UHFFFAOYSA-N 291.275 0.539 0 50 CCAA CCCOc1ccnc(N2C[C@@H](O)C[C@H]2CO)n1 882204940 APENMTAPJDQFIE-UWVGGRQHSA-N 253.302 0.197 0 50 CCAA CCn1cccc1CN1CCC[C@@](O)(CC(=O)NC)C1 886085347 KRFVKRSHGKOKRE-OAHLLOKOSA-N 279.384 0.971 0 50 CCAA Cn1ncc(CN2CCC[C@H]2c2ccc(N)nn2)n1 886080414 RKXRHOMSAWIQFX-NSHDSACASA-N 259.317 0.524 0 50 CCAA Cc1nccn1-c1cc(C(=O)NCCC(=O)O)ccn1 1775996426 DIWRSMHCFUVUBI-UHFFFAOYSA-N 274.280 0.780 0 50 CCAA O=C(CO)NCCc1nc(-c2cc(F)cc(F)c2)no1 1776006354 ORBHRISSNJYLLR-UHFFFAOYSA-N 283.234 0.666 0 50 CCAA CN(Cc1nc(-c2ccco2)no1)CC(C)(CO)CO 157526692 CDOJKGIRRULFIQ-UHFFFAOYSA-N 281.312 0.752 0 50 CCAA C[C@@H](CNC(=O)c1ccc2nccnc2c1)S(N)(=O)=O 355341052 LRQAHXAABYTJKC-QMMMGPOBSA-N 294.336 0.037 0 50 CCAA CCOCCS(=O)(=O)N1[C@H]2CCNC[C@H]1CC2 374089937 YLQJDYDDAZMVTQ-GHMZBOCLSA-N 262.375 0.179 0 50 CCAA CO[C@H](CNC(=O)c1c(C(=O)O)cnn1C)C(C)C 901897902 NCSGWLUBGBYMJY-SECBINFHSA-N 269.301 0.519 0 50 CCAA CCN(CCN1CCCC1)S(=O)(=O)c1cn[nH]c1 952866607 DBVUFUXDMPNBLW-UHFFFAOYSA-N 272.374 0.516 0 50 CCAA O=C(O)[C@@H]1CN(c2ncnc3ccsc23)CC[C@@H]1O 2100544943 BZQRNIISNHNRGP-APPZFPTMSA-N 279.321 0.963 0 50 CCAA COc1ccc(CNC23CN4CN(CN(C4)C2)C3)cc1 19321452 RQSHVUSHZTXOIR-UHFFFAOYSA-N 274.368 0.343 0 50 CCAA COc1cccc(C(=O)N[C@H]2CNCC[C@H]2O)c1OC 534590859 DRSWYKHCFUUKPO-WDEREUQCSA-N 280.324 0.156 0 50 CCAA COc1ncc(C)cc1NC(=O)N(C)[C@H]1CNC[C@@H]1O 415256655 ALCROXPKHRJVFG-QWRGUYRKSA-N 280.328 0.195 0 50 CCAA O[C@@]12C[C@@H]([C@H]3CO[C@H]1O3)n1nc(C(F)(F)F)nc1N2 101648433 JAJQCHRNDZFNPR-LICXJRRXSA-N 278.190 0.097 0 50 CCAA CCN(CCN(C)C)C(=O)[C@@H](N)c1c(C)n[nH]c1C 67655070 CYDANHCFDASGGQ-LBPRGKRZSA-N 267.377 0.436 0 50 CCAA Cc1n[nH]c(C)c1CNc1nc(N)nc2c1CCNCC2 72418212 DAUXITLCHDSUGV-UHFFFAOYSA-N 287.371 0.699 0 50 CCAA COCCn1cncc1CNC(=O)c1cnc(C)cn1 218921700 OJWQNWQMZSOYEU-UHFFFAOYSA-N 275.312 0.558 0 50 CCAA O=S(=O)(C1CC1)N1CCN(Cc2ccon2)CC1 173661137 WOOYWSLGEWWJEN-UHFFFAOYSA-N 271.342 0.284 0 50 CCAA O=C(c1scc2c1OCCO2)N1CC[C@H](CO)[C@H](O)C1 72153384 FAQOKAQMSCJPPG-RKDXNWHRSA-N 299.348 0.335 0 50 CCAA Cn1cc(N2CC[C@H](N3CCC[C@@H](CCN)C3)C2=O)cn1 443061908 SMDWVQDNYQELRG-JSGCOSHPSA-N 291.399 0.586 0 50 CCAA COCCCn1nccc1CN1CCO[C@@H](COC)C1 374995137 OFTXLRHVCQBREO-CQSZACIVSA-N 283.372 0.767 0 50 CCAA CNC[C@H]1CCCN1S(=O)(=O)c1cn(C(C)C)cn1 237283305 SDJAJDDSJWISPQ-LLVKDONJSA-N 286.401 0.837 0 50 CCAA COCc1cccc(CC(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1 284647490 RTOREDGPLVXXSN-BXUZGUMPSA-N 290.363 0.955 0 50 CCAA O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@]23CCOC3)C1 263571574 JOYCXYCCQPVQLI-JMSVASOKSA-N 297.351 0.895 0 50 CCAA Cn1c(SCCC(=O)O)nnc1C1CCNCC1 426535969 WLFVWFMHQOXVIX-UHFFFAOYSA-N 270.358 0.849 0 50 CCAA CCCN1CCC(CNC(=O)c2n[nH]nc2C)CC1 193963659 YLHCBAHCRBCXPJ-UHFFFAOYSA-N 265.361 0.965 0 50 CCAA O=C(NCCn1cnnc1)[C@@H]1COc2ccccc2C1 426503062 DXIQQGSGJROAGB-LBPRGKRZSA-N 272.308 0.646 0 50 CCAA Cc1cc(C)n([C@@H](C)CNC(=O)Cn2cccnc2=O)n1 97394463 CRYJVJDFRQWSQE-LBPRGKRZSA-N 289.339 0.434 0 50 CCAA CN(CCc1cnn(C)c1)Cc1cn[nH]c1C(=O)O 97766520 DBLOAHGBBUSUMR-UHFFFAOYSA-N 263.301 0.516 0 50 CCAA CCn1nc(C(C)C)cc1C(=O)N1CCO[C@H](C(N)=O)C1 91876861 TUPJPRMPJUJYME-LBPRGKRZSA-N 294.355 0.353 0 50 CCAA Cc1ccc2nc(C(=O)N3CC[C@@H](O)C3)c(F)n2c1 426734197 ZKOZIVYBDFXHQW-SECBINFHSA-N 263.272 0.989 0 50 CCAA COc1ccccc1CCNC(=O)[C@@H]1CCCN1C(N)=O 97553417 RWFMHFHKCZAKFD-LBPRGKRZSA-N 291.351 0.897 0 50 CCAA CC(=O)N1CCN(Cc2ccccc2C(=O)O)C[C@H](O)C1 91973917 YENGZOJBJHZWAC-ZDUSSCGKSA-N 292.335 0.410 0 50 CCAA Cc1nccn1CCCn1ncc(N(C)C)cc1=O 95380568 KUSHRCKGOFVLCM-UHFFFAOYSA-N 261.329 0.905 0 50 CCAA CCc1nc(CN2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)n[nH]1 621317311 WRAOTMDBCGGPGA-WCBMZHEXSA-N 277.332 0.100 0 50 CCAA Cc1nc([C@@H](C)NC(=O)c2ccc(-n3cnnn3)cc2)n[nH]1 343327741 BLHLUEFKLZYETR-MRVPVSSYSA-N 298.310 0.580 0 50 CCAA CN(CCN(C)C1CCCC1)C(=O)C[C@H]1CNCCO1 534581913 HBYAVJWNARAGHO-AWEZNQCLSA-N 283.416 0.698 0 50 CCAA Cc1cc(C)n(CCC(=O)NCCn2ccnn2)n1 534666136 LUDIQEDPXZDFON-UHFFFAOYSA-N 262.317 0.298 0 50 CCAA CC(C)(C)N1CC[C@H](CNC(=O)CN2CCOCC2)C1 616998702 UAWZTRZBCNVMGR-CYBMUJFWSA-N 283.416 0.555 0 50 CCAA O=C(CCOC[C@H]1CCCO1)N1CC(O)(C2CC2)C1 372688087 AGYNESRMWJDHOA-GFCCVEGCSA-N 269.341 0.555 0 50 CCAA CCc1n[nH]cc1C(=O)N[C@@H](C)c1nncn1CCOC 299800632 UPBWDHRWFBBKAV-VIFPVBQESA-N 292.343 0.701 0 50 CCAA Cc1nccn1[C@@H](C)CC(=O)NCCn1ccnn1 827802689 SJELXKYVEUFZBS-JTQLQIEISA-N 262.317 0.551 0 50 CCAA CN1CCCC[C@H]1CCC(=O)NCCc1cnn[nH]1 584892282 PNCICAMWHJWDOI-LBPRGKRZSA-N 265.361 0.728 0 50 CCAA Cc1nc(-n2cc(I)cn2)n[nH]1 585122775 DUTZKBQBRKTKTI-UHFFFAOYSA-N 275.053 0.903 0 50 CCAA CNc1ncccc1C(=O)NCCc1csc(N)n1 584894281 AFNODUYOIOZKJD-UHFFFAOYSA-N 277.353 1.135 0 50 CCAA Cc1nc(CC(=O)N[C@@H](CC(C)C)C(=O)O)n[nH]1 585134880 NSAPIQCHCXYQQP-QMMMGPOBSA-N 254.290 0.271 0 50 CCAA COCCN1CCC[C@@H](CN(C)C(=O)CN2CCCC2)C1 584898051 CBCXIAPEZSLETO-HNNXBMFYSA-N 297.443 0.899 0 50 CCAA CON(C)CCCNS(=O)(=O)c1conc1C 952876580 BYOPQHDMEFQENV-UHFFFAOYSA-N 263.319 0.145 0 50 CCAA CC1=C(C(=O)N[C@H](CO)Cc2ccccc2)OCCO1 952974377 BNQRQKFMZRARIX-ZDUSSCGKSA-N 277.320 0.985 0 50 CCAA CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1nn[nH]n1 952868947 JCMBAXLCVUWELZ-GFCCVEGCSA-N 286.339 0.263 0 50 CCAA COCC(=O)N1C[C@H](NC(C)=O)CC[C@@H]1C(F)(F)F 408061964 XRNUCHVAVITLGL-RKDXNWHRSA-N 282.262 0.691 0 50 CCAA CCOC1CC(O)(CNC(=O)[C@@H]2CCCO[C@H]2C)C1 408474778 QBOCETPVVPEGNF-WDBLDGLGSA-N 271.357 0.848 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2nc(N(C)C)no2)C1 643855882 NNOOUEMCVNPXNU-ZJUUUORDSA-N 292.343 0.821 0 50 CCAA O[C@@H]1CCN([C@H]2CCC[C@H]2NCCn2cccn2)C1 643959899 JIUOHRRBWQRBRG-MCIONIFRSA-N 264.373 0.460 0 50 CCAA Cc1noc2ncnc(N3C[C@@H]4CN(C)C[C@@H]4C3)c12 192553021 CNBWNHMLVLYNIP-AOOOYVTPSA-N 259.313 0.924 0 50 CCAA CC(C)S(=O)(=O)CCCN1CCOC[C@]12CCOC2 193731561 UHIQVBPYHYZRBX-CYBMUJFWSA-N 291.413 0.691 0 50 CCAA CN(C)CCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1 656432473 MEXPRRZVFIVQPV-UHFFFAOYSA-N 295.368 0.019 0 50 CCAA CC(C)(C)n1nnc(CC(=O)N[C@@H]2CCC[C@@H]2C(=O)O)n1 659154801 VOSYMRURADQCHL-DTWKUNHWSA-N 295.343 0.340 0 50 CCAA Cc1sc(NC(=O)CN(C)[C@H]2CNC[C@@H]2O)c(C)c1C 572945811 HTYPCCHYNFWVAV-RYUDHWBXSA-N 297.424 0.876 0 50 CCAA CCc1noc(C)c1C(=O)N[C@@H]1CCOC[C@H]1O 222253037 OPMWFXGHBDRGNO-NXEZZACHSA-N 254.286 0.425 0 50 CCAA C[C@@H](CN1CCCC1)CN(C)C(=O)NCCC(=O)O 1506412773 OQKFIHZOJPYYLO-LLVKDONJSA-N 271.361 0.834 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cccnc1 112192320 DUYSTFTULMEYSK-VIFPVBQESA-N 256.327 0.587 0 50 CCAA Cn1cnc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1 1704278359 VJUOFSLRZYPBKR-OCCSQVGLSA-N 286.335 0.803 0 50 CCAA C[C@H](C(N)=O)[C@@](O)(Cn1cncn1)c1cc(F)ccc1F 144692386 ARTKJILLNLYJNZ-OQPBUACISA-N 296.277 0.566 0 50 CCAA in-vitro Cn1cc(CCC(=O)N2CC[C@@](C)(C(=O)O)C2)cn1 262202692 VIPVJBURDABMKQ-CYBMUJFWSA-N 265.313 0.676 0 50 CCAA CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 6747189 MOGCUWCOIALRDV-MRVPVSSYSA-N 286.353 0.871 0 50 CCAA CCc1nc(N2CCC([C@@H](O)CO)CC2)ncc1C 1772817134 INHIPCSYYVVTBB-ZDUSSCGKSA-N 265.357 0.917 0 50 CCAA CSCCC(=O)N1C[C@@H]2CNC[C@]2(CN(C)C)C1 1772700720 DRIUBIRRNFBNGF-AAEUAGOBSA-N 271.430 0.349 0 50 CCAA Cc1nc(N)nc(N2CCOC3(CCN(C)CC3)C2)c1C 1772804840 FQZIZHFLZNFXRM-UHFFFAOYSA-N 291.399 0.977 0 50 CCAA c1ccc(C(N2CCOCC2)N2CCOCC2)nc1 19327541 MTQKWTQKEVGBSK-UHFFFAOYSA-N 263.341 0.745 0 50 CCAA C[C@@]1(O)CCCN(C(=O)CCN2CCCC2=O)C1 152926182 ABUIUDHEPOVOIJ-CYBMUJFWSA-N 254.330 0.372 0 50 CCAA COc1cc(OC)cc(C(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)c1 1857691555 PYMVTJIJRFJPHP-GXFFZTMASA-N 290.319 0.664 0 50 CCAA Cc1cc(CN2CCO[C@H](CN(C)CC(=N)O)C2)no1 330401054 KDWCZXBMSSRXAY-GFCCVEGCSA-N 282.344 0.651 0 50 CCAA CC(C)N1CC[C@@H](NC(=O)[C@H]2CCCN2C2CC2)C1=O 332995790 FZQXVXCJTZOHLE-CHWSQXEVSA-N 279.384 0.739 0 50 CCAA CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1)c1ccc(F)cc1 237196440 NYJVUNQXWJTULM-HZSPNIEDSA-N 295.358 0.267 0 50 CCAA COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2c[nH]nc2C(C)C)C1 592951363 IDQBDNOUKXQYSY-NXEZZACHSA-N 295.339 0.529 0 50 CCAA O=C(COc1cncnc1)NC[C@H]1Cc2ccccc2O1 901706961 QYRMLIGDZAWITC-GFCCVEGCSA-N 285.303 0.975 0 50 CCAA N[C@]1(CO)CCCN(Cc2ccccc2-n2cncn2)C1 904401398 HTUIKRVGACFTHJ-OAHLLOKOSA-N 287.367 0.553 0 50 CCAA O=S(=O)(N1CCCC1)N1CC[C@H]2CCNC[C@H]21 1875268556 YTLJISPUZRBSLR-GHMZBOCLSA-N 259.375 0.011 0 50 CCAA Cn1cc(CCCNC(=O)[C@H]2CC[C@@H](N)C2)cn1 237774688 VTTIXQVVOXTMRD-NWDGAFQWSA-N 250.346 0.596 0 50 CCAA CN1CCN(CCNc2cccc(F)c2C(N)=O)CC1 891619561 FSBWLXVLHIUUBG-UHFFFAOYSA-N 280.347 0.584 0 50 CCAA CCOc1cc(N2CC[C@@](O)(CN(C)C)C2)nc(C)n1 895009560 BVVYKVGKNDZTOG-CQSZACIVSA-N 280.372 0.687 0 50 CCAA CN1CCn2nc(NC(=O)NCCc3cn[nH]c3)cc2C1 1774372579 DOOPLUFPRREUPC-UHFFFAOYSA-N 289.343 0.416 0 50 CCAA CC[C@@H]1C[C@H]1NS(=O)(=O)c1cnc2cccnn12 1775989286 JQPVCICKIZHDQJ-RKDXNWHRSA-N 266.326 0.806 0 50 CCAA C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ncc[nH]1 311581580 OQTMLOQGAYHPBH-GHMZBOCLSA-N 284.385 0.657 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C2CC2)C[C@H]1C 402764959 FJQXJUSIIFWDQJ-SECBINFHSA-N 298.412 0.884 0 50 CCAA N[C@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 237928410 UEOJSQMOQFRWEI-LURJTMIESA-N 280.271 0.826 0 50 CCAA CCN(C[P@](=O)(O)CN1CCCC1=O)C(C)=O 439404 QYZXIOGDCNETJZ-UHFFFAOYSA-N 262.246 0.663 0 50 CCAA CC(=O)c1cc(C(=O)N2CCOCC2)c(=O)[nH]c1C 10339455 HVKKFKHOOUVFRB-UHFFFAOYSA-N 264.281 0.358 0 50 CCAA COc1cccc([C@H]2C[C@@H](O)CN2S(C)(=O)=O)c1 225714541 BAZBZYQUHCUAEY-ZYHUDNBSSA-N 271.338 0.763 0 50 CCAA O=S1(=O)CCN(Cc2nc(-c3cccnc3)no2)CC1 103287470 PAJPXYFPFMXSLW-UHFFFAOYSA-N 294.336 0.362 0 50 CCAA NC(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)s1 117107086 PINNZWPPENIFLT-ZETCQYMHSA-N 282.321 0.784 0 50 CCAA Cc1nc([C@@H]2CCCN2CC(=O)NC[C@H]2CCCO2)no1 248058090 UYZYEGFWMNEVJL-NEPJUHHUSA-N 294.355 0.810 0 50 CCAA COCc1nn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(=O)o1 118954097 RXVJNLNGVLUBHS-GMTAPVOTSA-N 297.355 0.924 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc(C)c(C)s1 67541370 HNPLZEPPUUVSHT-ZJUUUORDSA-N 281.381 0.653 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@@H]2C[C@H](O)C2(C)C)c[nH]1 230956277 NTUOCLYHSIVDOU-MNOVXSKESA-N 250.298 0.573 0 50 CCAA CNS(=O)(=O)CCNc1nc(N(C)C)nc(C)c1C 65410156 OUFZUJWXRJRTIP-UHFFFAOYSA-N 287.389 0.121 0 50 CCAA Cc1n[nH]cc1CN1CCN(Cc2nccn2C)CC1 32511847 OXDUVNARGQHVJW-UHFFFAOYSA-N 274.372 0.769 0 50 CCAA Cc1cc(CN(C)S(=O)(=O)[C@H]2CCOC2)no1 329559628 MAFWIKHVYFRXQA-JTQLQIEISA-N 260.315 0.534 0 50 CCAA CCS(=O)(=O)NCCN1C[C@@H](CO)Cc2ccccc21 366441639 PRZQWTOASNQBSO-LBPRGKRZSA-N 298.408 0.597 0 50 CCAA NC(=O)C[C@H]1CCCN(C(=O)Cc2ccoc2)C1 127799076 PVNZTNWFLRFMPG-SNVBAGLBSA-N 250.298 0.936 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2cncn2C)C1 284627064 SIRDWDCNHKGHKD-KBPBESRZSA-N 292.383 0.632 0 50 CCAA CC(C)N1CC[C@@H](N2C(=O)[C@H]3CCCN3C2=O)C1=O 240444290 FXFSXODRCGTIHK-NXEZZACHSA-N 265.313 0.422 0 50 CCAA Cc1n[nH]c(C)c1[C@H](N)C(=O)NCCCc1cnn(C)c1 222497452 BYDWXOSTKRUVET-ZDUSSCGKSA-N 290.371 0.509 0 50 CCAA COc1ccc2c(c1)[C@@H](NC(=O)CN1CCOCC1)CO2 45027540 CFAYQJBZYQSHPE-ZDUSSCGKSA-N 292.335 0.577 0 50 CCAA COC[C@@H](NC(=O)CCCn1cncn1)c1ccccn1 223052104 QFNQMGLZKBCJHT-CYBMUJFWSA-N 289.339 0.957 0 50 CCAA O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1cnco1 221268557 OJNRSLZZGXWHMY-SNVBAGLBSA-N 273.296 0.863 0 50 CCAA Cc1ncc(CC(=O)N2C[C@@H](C)[C@](O)(C(C)C)C2)c(=O)[nH]1 91706985 BYMCQMKGFDSWDV-MEBBXXQBSA-N 293.367 0.486 0 50 CCAA CCc1csc(CNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 91644986 LTJKELAIRZESFC-QMMMGPOBSA-N 296.352 0.310 0 50 CCAA COCCN1C[C@H](c2nc(-c3cccnn3)no2)CC1=O 91745983 QUXOJSDGXUSJIC-SECBINFHSA-N 289.295 0.489 0 50 CCAA CSCC(=O)N1CCC2(CC1)OCCC[C@H]2O 91830997 RQBDAVQIXLKDEW-SNVBAGLBSA-N 259.371 0.882 0 50 CCAA CC(=O)NCCCC(=O)N1C[C@@H](C(=O)O)[C@H](C(C)C)C1 91965439 HDWIPLHFDSYFEI-NWDGAFQWSA-N 284.356 0.718 0 50 CCAA CN(Cc1ncon1)C(=O)CCCN1CCCC1=O 244718993 LUSSSYLMGYWDMS-UHFFFAOYSA-N 266.301 0.431 0 50 CCAA CC(C)CN1CCN(CCn2cc[nH]c2=O)C[C@@H]1CCO 252508535 XORIHXOTXYRNSU-AWEZNQCLSA-N 296.415 0.201 0 50 CCAA CC(C)[C@@H](CO)NC(=O)[C@H](c1ccccc1)n1cnnn1 252479597 BIHPNHCDPUYUNN-OLZOCXBDSA-N 289.339 0.396 0 50 CCAA O=S(=O)(N1CCCC1)N1C[C@@H]2CC[C@H]1CNC2 534673015 RGXCNXASHSHOKN-MNOVXSKESA-N 259.375 0.011 0 50 CCAA O=C(NCCN1CCC(CO)CC1)c1cc(O)ccc1F 534645452 JUNCBEVHWOIQJV-UHFFFAOYSA-N 296.342 0.965 0 50 CCAA O=C(O)CCCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1 534657522 SPKFQHXZWANTGQ-RYUDHWBXSA-N 284.356 0.611 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ncnn1C 276724081 PZRMZISQWBSUDW-SSDOTTSWSA-N 285.329 0.459 0 50 CCAA O[C@@]12CCOC[C@@H]1CN(Cc1cc[nH]n1)[C@H]1CCOC[C@H]12 299791479 DCJORAMRBBXEGJ-ATGSNQNLSA-N 293.367 0.398 0 50 CCAA Cc1nc[nH]c1CN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299794693 LWEDCDWZJDWVPU-STQMWFEESA-N 274.328 0.655 0 50 CCAA CCCS(=O)(=O)NC[C@H](C)N(C)CC1(C)COC1 822993528 DDFXJEKOGCHJRF-NSHDSACASA-N 278.418 0.673 0 50 CCAA Cc1ncn(CCNC(=O)c2cc3ncccn3n2)c1C 828219184 SKYBLOQMDZMDDL-UHFFFAOYSA-N 284.323 0.973 0 50 CCAA CCCc1nnsc1C(=O)N[C@H]1CCC(=O)N(C)C1 584892844 FMPVWHWNQGBBOG-QMMMGPOBSA-N 282.369 0.841 0 50 CCAA CCN(CC(N)=O)S(=O)(=O)c1ccc(F)cc1 1070552 CERCRJJKHBQLAX-UHFFFAOYSA-N 260.290 0.322 0 50 CCAA O=C(CCC(F)(F)F)NC1CCN(CCO)CC1 670445473 ILMQRELXTCUUHU-UHFFFAOYSA-N 268.279 0.902 0 50 CCAA Cn1cc(C(=O)NC2CCN(C3CCC3)CC2)nc1O 1362846481 CIVUHDFNSAIELQ-UHFFFAOYSA-N 278.356 0.872 0 50 CCAA COC(=O)[C@@H](NCc1ccccc1OC)[C@@H](C)O 170606977 YOAVUFRRVSGUKQ-SKDRFNHKSA-N 253.298 0.707 0 50 CCAA CCS(=O)(=O)N1C[C@H](c2cccnc2)[C@@H](C(=O)O)C1 169676089 UDXDIGFLCATLBQ-MNOVXSKESA-N 284.337 0.531 0 50 CCAA CCOC(=O)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O 100041530 RSNKXJXWNHBZEU-SECBINFHSA-N 299.323 0.945 0 50 CCAA in-vitro CCO[C@H]1C[C@@](O)(CNC(=O)c2cnn(C)c2)C1(C)C 191769566 BRTPGOMJJYMXJW-SMDDNHRTSA-N 281.356 0.716 0 50 CCAA CO[C@@H](C(=O)N[C@@H]1CCC[C@@H]1C(=O)O)[C@H]1CCOC1 659154884 WGXVBKLRAQNUNC-UKKRHICBSA-N 271.313 0.407 0 50 CCAA C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@](C)(C(=O)O)C1 585139523 MTAJESUVSALDRF-RNCFNFMXSA-N 265.313 0.912 0 50 CCAA CCn1nc(C)c(CNC(=O)[C@@H](C)NC(=O)C2CCC2)n1 1615045350 KTPMIADNAZFGFI-SNVBAGLBSA-N 293.371 0.527 0 50 CCAA COCCC1(CNc2ccnc(S(N)(=O)=O)c2)CC1 1615586673 WVNXQLPZRFYCIP-UHFFFAOYSA-N 285.369 0.958 0 50 CCAA CCS(=O)(=O)C1CN(C(=O)C2(C)CCOCC2)C1 1615589459 CJXQXBUNMBGIPU-UHFFFAOYSA-N 275.370 0.449 0 50 CCAA CC1(C)OC[C@H]([C@H](O)C(=O)N[C@H]2CCCSC2)O1 1615605774 NMQHEBUINRELGD-AEJSXWLSSA-N 275.370 0.511 0 50 CCAA N=c1cc(C(=O)N2CCC[C@]3(CCOC3)C2)[nH][nH]1 1857699627 XCFNBSOJSQJUNN-LBPRGKRZSA-N 250.302 0.465 0 50 CCAA OCCOCCN1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 103574423 LLGKVRVOYKMGNT-KKUMJFAQSA-N 268.401 0.802 0 50 CCAA COCCN1CC[C@H](CN(C)c2cncc(N)n2)C1 1857680350 HIMIRFGBCNTDTA-LLVKDONJSA-N 265.361 0.463 0 50 CCAA O=C([C@H]1CCOC1)N1CCC(n2cnnc2)CC1 1857688695 WWZYYMYYRIKPPA-JTQLQIEISA-N 250.302 0.478 0 50 CCAA Nc1nc(O)cc(N2C[C@H](O)[C@H](Cc3ccncc3)C2)n1 1704336304 FSVPPKIAHYBVSG-MNOVXSKESA-N 287.323 0.199 0 50 CCAA CO[C@@H]1[C@H](C)[C@@H](NC(=O)C2(S(C)(=O)=O)CC2)C1(C)C 408205042 PLJZHZBSYXJNRW-OPRDCNLKSA-N 289.397 0.739 0 50 CCAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(C2CC2)no1 328715187 OIPPZPUPGASFRT-MRVPVSSYSA-N 270.310 0.469 0 50 CCAA O=C(N[C@@H]1CCOC1=O)c1cn(CC2CCCCC2)nn1 12613142 HLNSJNWRMNNGGD-LLVKDONJSA-N 292.339 0.904 0 50 CCAA Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)CCC3 19818743 DEOFTNKOQGMBCG-UHFFFAOYSA-N 259.265 0.151 0 50 CCAA COc1ccc(N2C(=O)N[C@@H](CC(=O)O)C2=O)cc1 166982570 FDZAKDNYUHGFFM-VIFPVBQESA-N 264.237 0.595 0 50 CCAA biogenic Nc1cncc(N2CCN(c3ncccn3)CC2)n1 111177248 VABPDFFLWGCHFZ-UHFFFAOYSA-N 257.301 0.175 0 50 CCAA CCCn1c(C)nnc1CN1CCC[C@](O)(CC(N)=O)C1 643807227 QYTKVMNTVBUWNO-AWEZNQCLSA-N 295.387 0.199 0 50 CCAA N[C@H]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 237853240 YSEXQMFLGMJJES-JTQLQIEISA-N 275.287 0.580 0 50 CCAA Cc1cc(N2CCC[C@H](c3nnc[nH]3)C2)n2ncnc2n1 241383117 MSRCFRGHWHEFPC-JTQLQIEISA-N 284.327 0.935 0 50 CCAA COc1ccc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)cn1 247902602 RHROWZDEOBFDHY-MFKMUULPSA-N 266.297 0.048 0 50 CCAA CCOC[C@H](O)CN1CCN(c2ccnc(C)n2)CC1 266353418 JVCWHXCQZADKGS-CYBMUJFWSA-N 280.372 0.304 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1ccc2cccnc2n1 901573180 OMBDURLEFFQCAN-NSHDSACASA-N 287.275 0.555 0 50 CCAA CC(C)NC(=N)NCCNC(=O)c1ccc(O)cc1 848990845 XWENWGQZYRYHJB-UHFFFAOYSA-N 264.329 0.644 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 1875259393 GAOTXWUBCXYQPK-ZYHUDNBSSA-N 294.307 0.465 0 50 CCAA O=c1nc(Cc2ccccc2)[nH]n1Cc1nnc2n1CCC2 1875281100 PKUCLTPYMDKLLL-UHFFFAOYSA-N 296.334 0.748 0 50 CCAA CN(Cc1nc(O)n[nH]1)c1ncnc2c1CCCC2 1875294670 MOGVMZDLTBIREB-UHFFFAOYSA-N 260.301 0.816 0 50 CCAA Cn1nc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c2c1CCOC2 1875290653 VQSPUQAKNZHOGM-GWCFXTLKSA-N 293.367 0.774 0 50 CCAA C[C@H](O)c1cn(CCS(=O)(=O)Nc2ccccc2)nn1 1875282685 OPMCWGRYTCNTTM-JTQLQIEISA-N 296.352 0.773 0 50 CCAA CS(=O)(=O)NC(=O)c1csc(-c2cnccn2)n1 1875391225 LQKZROIGRNWRGH-UHFFFAOYSA-N 284.322 0.290 0 50 CCAA O=C(NC[C@@H]1CNCCOC1)NC1CCCCC1 72135193 YUPCYYUZAHLKKK-NSHDSACASA-N 255.362 0.854 0 50 CCAA OC1=NCCCN1C1CCN(CC2(O)CCC2)CC1 328604940 JBRWXZORVRJWNP-UHFFFAOYSA-N 267.373 0.986 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccccc1C 534647853 ITOOKFZOCSNVLA-RYUDHWBXSA-N 284.381 0.602 0 50 CCAA CC[C@@H]1CCN(C(=O)c2[nH]nnc2[C@@H]2CCCN2)CCO1 2325774926 HEXHHCTWKLJTLY-MNOVXSKESA-N 293.371 0.870 0 50 CCAA C[C@H]1NC(=O)OC12CN(C(=O)[C@@]13CCC[C@@H]1C3)C2 2325783300 MKWFMQQGUFVQNL-KBVBSXBZSA-N 250.298 0.886 0 50 CCAA CO[C@@H]1[C@@H]2CCC[C@H]2[C@H]1N=c1nc(O)c2c(ncn2C)[nH]1 2325786822 HFAXRHUOYNDSIU-TURQNECASA-N 289.339 0.716 0 50 CCAA O=C(Cc1ccoc1)NC[C@H]1CCC[C@@H](C(=O)O)O1 2325807567 DJFJOQUMFAQIAB-MNOVXSKESA-N 267.281 0.961 0 50 CCAA CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCOC2)C1 246042067 XFRRJZDQAIFTJH-FRRDWIJNSA-N 267.373 0.901 0 50 CCAA CCC[C@@H](N)C(=O)N[C@H](CCSC)C(=O)OC 2172700 VBKZYWWMOVNWTB-RKDXNWHRSA-N 262.375 0.525 0 50 CCAA O=C(NCCCC(=O)N1CCOCC1)c1cccnc1 2294984 AVNAFTKUGTXGKV-UHFFFAOYSA-N 277.324 0.450 0 50 CCAA OCCOCCN1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100413618 YBWZIUSRUYRBBB-HRCADAONSA-N 280.412 0.825 0 50 CCAA C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)CN1CCCC1 225392546 HABWSRIJJNSEDF-RYUDHWBXSA-N 267.373 0.455 0 50 CCAA O=C(NN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccnc1 101172327 SNZDEDFVINMDFY-QWRGUYRKSA-N 273.292 0.902 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2ccon2)[C@H]2CCO[C@H]21 1074588401 KGIFFPOPGKBZIM-YKDSUIRESA-N 252.270 0.454 0 50 CCAA C[C@H]1OCCN(C(=O)CN(C)C)[C@@H]1c1nc(C2CC2)no1 347446501 KMEASXQGIMQGSO-SKDRFNHKSA-N 294.355 0.797 0 50 CCAA COc1ccccc1N1C[C@@H](C(=O)NCCN)CC1=O 35686511 ZASODKHZZYDHGQ-JTQLQIEISA-N 277.324 0.123 0 50 CCAA CCN1C(=O)[C@H]2CN(Cc3cccnc3C)CCN2C1=O 362009649 JDZVZSPEDGDIKT-CYBMUJFWSA-N 288.351 0.858 0 50 CCAA C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCO[C@H]2CCC[C@@H]21 333319301 WQZVAFRXWBNSMF-BJDJZHNGSA-N 275.370 0.747 0 50 CCAA O=C(CCn1cncn1)N1CC[C@@](O)(c2ccccc2)C1 219215057 QHQQYIGXZXXFHN-HNNXBMFYSA-N 286.335 0.788 0 50 CCAA CC[C@H](NC(=O)Cn1cnnn1)c1nccs1 131600805 GPQLTDBEOXXAGM-ZETCQYMHSA-N 252.303 0.397 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@H](C(=O)O)C2)n1 178266225 MPXPJRGHDFFVFM-QWRGUYRKSA-N 265.313 0.994 0 50 CCAA Cc1cc(C)n([C@H]2CCN(C(=O)CN3CCOCC3)C2)n1 222991870 MBHFFBZBMCRURT-AWEZNQCLSA-N 292.383 0.606 0 50 CCAA C[C@@H]1C[C@H](NC(=O)c2csnn2)CN1C1CC1 177037386 COEPEMVOHRSGNS-SFYZADRCSA-N 252.343 0.893 0 50 CCAA O=C(NCc1c(F)cccc1Cl)NC[C@@H](O)CO 426441677 ASJDZXKPUXSRPQ-SSDOTTSWSA-N 276.695 0.632 0 50 CCAA CNCc1nnc(SCCCn2cccn2)n1C 426380179 WKJVFJLGUYENIY-UHFFFAOYSA-N 266.374 0.913 0 50 CCAA CCc1cc(C(=O)NCCCCNC)cc(=O)[nH]1 97323901 RDCZYRYWDTVPNU-UHFFFAOYSA-N 251.330 0.667 0 50 CCAA Cc1noc(CN(C)C(=O)CCN(C)[C@H]2CCN(C)C2)n1 244601814 DSCDWGNPESVAIC-LBPRGKRZSA-N 295.387 0.362 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)c2ncc(F)cc2F)[C@H](O)C1 244678626 IHBHKEIPMZCDHD-GHMZBOCLSA-N 299.277 0.071 0 50 CCAA Cc1ccc(C)c(OCC(=O)NC[C@]2(O)CCNC2)c1C 244899308 ZHOWUISPNVAFIX-INIZCTEOSA-N 292.379 0.831 0 50 CCAA CS(=O)(=O)N1CCc2cc(NC3=CC(=O)NC3)ccc21 524733449 SPFFZAZZERECAY-UHFFFAOYSA-N 293.348 0.434 0 50 CCAA CCCN1CCN(c2cc(NC[C@H](C)O)ncn2)CC1 298455452 YJVFHPBZZQQQOV-LBPRGKRZSA-N 279.388 0.801 0 50 CCAA COC[C@H](NS(=O)(=O)N1CCCC1)c1ccccn1 534652317 ZITSMVJVZXGYHN-LBPRGKRZSA-N 285.369 0.699 0 50 CCAA O=C([C@@H]1C[C@@H]2C[C@@H]2C1)N1C[C@H]2CCO[C@@]2(C(=O)O)C1 705129788 XZDGSQDRSLJNRC-SLVJWFQDSA-N 265.309 0.735 0 50 CCAA COCC(C)(C)CNC(=O)C[C@H]1C(=O)N(C)C(=O)N1C 534648018 HTACFEOWBJMQFJ-VIFPVBQESA-N 285.344 0.058 0 50 CCAA CSc1ncc(CNC(=O)CNC(=O)C(C)C)n1C 824959631 SJSRNXLUWZGGPL-UHFFFAOYSA-N 284.385 0.530 0 50 CCAA COCCn1ccnc1CN(C)C[C@H]1CCOC1 584894806 FYLGUKQFXQUHAK-GFCCVEGCSA-N 253.346 0.998 0 50 CCAA CS(=O)(=O)CCN1CCOc2ccc(CO)cc2C1 670439663 OGMFLPLNCCPJDF-UHFFFAOYSA-N 285.365 0.418 0 50 CCAA Cn1cccc1[C@@H]1COCCN1C(=O)c1ncc[nH]1 1447525592 SHIKIQBOPKDNGZ-NSHDSACASA-N 260.297 0.962 0 50 CCAA Cn1ccc(C(=O)N2CCC[C@H](OCCO)C2)c1 269553701 ZFWATKFPWLSPTK-LBPRGKRZSA-N 252.314 0.639 0 50 CCAA Cc1ccoc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1CC(N)=O 275553220 FFCXWZCVFUFEIW-QWRGUYRKSA-N 297.330 0.558 0 50 CCAA Cc1o[nH]c(=N)c1S(=O)(=O)NC(=O)[C@@H]1C[C@H]1C1CCC1 408498067 KDZORWWCMMVZMR-DTWKUNHWSA-N 299.352 0.637 0 50 CCAA Cc1nnc(N2CCC[C@H](N3CCCC3=O)C2)o1 561194289 YNMSUTPNSQJLNM-JTQLQIEISA-N 250.302 0.969 0 50 CCAA CC[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@@H](N)C2)C1 662983817 OAVFSAJATVMIGM-LPWJVIDDSA-N 281.400 0.829 0 50 CCAA Cc1cc(CCNC(=O)[C@@H]2NCC23CCCC3)nn1C 1615548298 RQECOHNFXGAIEB-ZDUSSCGKSA-N 276.384 0.919 0 50 CCAA Cc1ccc(CC(=O)N[C@@H](C(=O)O)C2CCOCC2)cn1 1615556845 FSCOIAARDSDROY-CQSZACIVSA-N 292.335 0.929 0 50 CCAA Cn1ccnc1CCN1CCC([C@H](O)CO)CC1 1772703485 LOLSRLHRVUKGOD-GFCCVEGCSA-N 253.346 0.028 0 50 CCAA CCC1CCN(S(=O)(=O)N[C@@H]2CCNC2)CC1 903483886 PHPQBWMHPQWXNQ-LLVKDONJSA-N 261.391 0.305 0 50 CCAA CC(=O)NC(C)(C)C[C@@H](C)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1506419041 XRVORUPHGGVABH-JSFFLRCESA-N 298.427 0.743 0 50 CCAA CN(CC(=O)NCC1CCN(CCO)CC1)C1CCCC1 1506418091 OYDGPYVUJLQDFN-UHFFFAOYSA-N 297.443 0.681 0 50 CCAA C[C@@H]1CCCCN1CC(=O)N(CCO)Cc1ncc[nH]1 1704314781 SDLAOWJAHZUNNA-GFCCVEGCSA-N 280.372 0.605 0 50 CCAA Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C2(C)C)ns1 606444870 CYVLRSBCFHYWMB-QMMMGPOBSA-N 274.367 0.757 0 50 CCAA CC(=O)NCC(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 407980968 QDPMZSVTUKBWMR-JTQLQIEISA-N 265.317 0.303 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)N[C@@H]2CO)C1 110915069 DMNLMJMGLDXXBB-RNCFNFMXSA-N 270.329 0.494 0 50 CCAA in-vitro CN(C)C(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@H]2O3)CC1 353798250 AGJRQKSYSMOTGJ-KXUCPTDWSA-N 252.314 0.291 0 50 CCAA CCCn1c(C)c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc12 12373990 UGRBJATXGAXEHY-UHFFFAOYSA-N 275.312 0.703 0 50 CCAA COCC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 408517662 LYFQIYBNMNGKRS-OLZOCXBDSA-N 299.415 0.326 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1c(O)cccc1O)C2 1704306587 POBZPVCYQNQEPR-QWRGUYRKSA-N 292.335 0.500 0 50 CCAA O=S1(=O)CC[C@H](CO)N1Cc1c(F)cccc1F 952992614 QBXWEFOAPUHOFD-MRVPVSSYSA-N 277.292 0.861 0 50 CCAA C[C@@H](NC[C@]1(CO)COC[C@@H](C)N1C)c1cn(C)cn1 1875398689 BITUKAKQRHQSCU-BZPMIXESSA-N 282.388 0.152 0 50 CCAA O=C(NC[C@@H]1CC2(CCNCC2)CO1)c1ccc[nH]1 877335021 HGDAZYNRDJDRBR-NSHDSACASA-N 263.341 0.903 0 50 CCAA O=C(O)C[C@@H]1CN(S(=O)(=O)C2(C(F)F)CC2)CCO1 1776002792 DMDHWRSJTCPTCZ-SSDOTTSWSA-N 299.295 0.289 0 50 CCAA O=C(O)[C@H]1COCCN(C(=O)Cc2ccsc2)C1 700378823 VCBIWNXHMQRQJM-SNVBAGLBSA-N 269.322 0.850 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ncccc1O 330883980 PGEPSAUAWHSAOP-MRVPVSSYSA-N 272.326 0.292 0 50 CCAA N=C(O)N1CC[C@H](NC(=O)[C@@H](O)Cc2ccccc2)C1 331068006 QYCMDIOZWXDXMY-RYUDHWBXSA-N 277.324 0.273 0 50 CCAA COCc1noc(CNc2cc(C)nc(N)n2)n1 91997216 IYNZYTWEFXXASM-UHFFFAOYSA-N 250.262 0.509 0 50 CCAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)Cn2cccn2)C1 379254195 DLVMHFNKFOXGLF-DTWKUNHWSA-N 276.262 0.764 0 50 CCAA CNS(=O)(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 888095648 AESLFQQTJYVZLY-ITGUQSILSA-N 281.381 0.171 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 57238 VVKAGQHUUDRPOI-VXGBXAGGSA-N 279.292 0.931 0 50 CCAA CCOC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 61994 XRHNRZAAXVKGNS-UHFFFAOYSA-N 283.305 0.784 0 50 CCAA O=C(Cn1c(CO)nc2ccccc21)N1CCOCC1 285456 OAUYLPIXBHRBQN-UHFFFAOYSA-N 275.308 0.387 0 50 CCAA CN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1 468256 RVNFZOUQAVCWKI-UHFFFAOYSA-N 268.338 0.586 0 50 CCAA CCOC(=O)CNC(=O)CNC(=O)OCc1ccccc1 2166432 LQNGDEFGCCDDES-UHFFFAOYSA-N 294.307 0.592 0 50 CCAA O=C(O)CC[C@@H](NC(=O)c1ccccc1O)C(=O)O 2173019 SLCAFYIDOSJSMB-MRVPVSSYSA-N 267.237 0.440 0 50 CCAA C[C@H](c1nnc2n1CCOCC2)N1CCOCC1 2356149618 MDJOCSZHGPNFDH-SNVBAGLBSA-N 252.318 0.244 0 50 CCAA COC(=O)Cc1cc(=O)oc2cc(O)cc(O)c12 6520424 VJCONJYUQIRPQG-UHFFFAOYSA-N 250.206 0.920 0 50 CCAA biogenic CCOC(=O)N1CCN(c2ncnc3[nH]cnc23)CC1 6530438 NVDONUZZBAEOBG-UHFFFAOYSA-N 276.300 0.631 0 50 CCAA COc1ccc(C(=O)N[C@@H]2CCN(C)C2=O)c(OC)n1 20867019 XDOMRMDATKVBSP-SECBINFHSA-N 279.296 0.059 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@@H](C)O1 20427589 FEMCBTWGBDGCAL-PHIMTYICSA-N 287.323 0.912 0 50 CCAA COC(=O)[C@@H](N)CNC(=O)c1ccc(Cl)s1 117053548 OYKYFRIJVSLWRQ-YFKPBYRVSA-N 262.718 0.632 0 50 CCAA COC[C@H]1[C@@H](NC(=O)Cc2cnc[nH]2)[C@H]2CCO[C@H]21 1074584089 QDUHQPIZDBZTFX-RSLMWUCJSA-N 265.313 0.118 0 50 CCAA Cc1cnc(=O)n(CCCN2C(=O)C(C)(C)N=C2O)c1 330892194 DCXUPPRMSSWWIC-UHFFFAOYSA-N 278.312 0.477 0 50 CCAA CC(C)N(C)CC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328627991 NGUPOCMPJZCCCK-GFCCVEGCSA-N 279.388 0.565 0 50 CCAA CCS(=O)(=O)C1CN(C(=O)c2ccccc2NC)C1 331898976 DZNWTKLUYVZRIS-UHFFFAOYSA-N 282.365 0.987 0 50 CCAA CCc1nc(C)c(C(=O)N[C@@H]2C=CS(=O)(=O)C2)o1 215232172 RGJXHIKITNVODM-MRVPVSSYSA-N 270.310 0.586 0 50 CCAA COc1ccc(CNC(=O)N2C[C@H](O)C[C@H]2CO)c(F)c1 361472657 DKFSTYIXCMWQJN-WDEREUQCSA-N 298.314 0.471 0 50 CCAA CCCn1cc(C(=O)N2CCN[C@@H](C(=O)O)C2)c(C)n1 71404199 MYGYNHWPKCWLMK-LLVKDONJSA-N 280.328 0.100 0 50 CCAA CC[C@H](C)N(CC(=O)O)C(=O)[C@H]1CCNC(=O)C1 236915513 XJNKJLRPFRDEHN-IUCAKERBSA-N 256.302 0.224 0 50 CCAA CCOC1CC(CN2CCOC[C@@H]2c2nc[nH]n2)C1 367143727 LIYGWBJTFDKJOJ-HTAVTVPLSA-N 266.345 0.993 0 50 CCAA CCn1nccc1CCN1C[C@H](F)C[C@H]1C(N)=O 285457200 LFOZNDMEGJMCMZ-KOLCDFICSA-N 254.309 0.343 0 50 CCAA COC[C@H](CO)NC(=O)c1cc(OC)cc(C(=O)O)c1 426649482 DMZXGBOHXKPKHM-JTQLQIEISA-N 283.280 0.131 0 50 CCAA C[C@@H]1CN(C)C[C@H](c2nc(Cc3ccnn3C)no2)O1 527544688 JUWDGYUKGIUNAJ-MWLCHTKSSA-N 277.328 0.786 0 50 CCAA COc1cccc(N(CC(=O)O)S(=O)(=O)N(C)C)c1 45795939 ITIPNJJPSBYXCG-UHFFFAOYSA-N 288.325 0.393 0 50 CCAA C[C@@H]1O[C@H](C)[C@@H](C(=O)N2CC3CC2(C(N)=O)C3)[C@@H]1C 529527595 VBSNATBEXJQBEH-CBPLICCWSA-N 266.341 0.522 0 50 CCAA CNC(=O)c1ccc(N2CC[C@@]3(CCCN(C)C3)C2)nn1 292667212 CTYSOTOPJDGYGY-OAHLLOKOSA-N 289.383 0.758 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)C1 238900574 JQKUFOMHSHPODM-UWVGGRQHSA-N 281.399 0.235 0 50 CCAA O=C(CCC(=O)NC1(C(=O)O)CCC1)NC1CCCC1 238071642 ALNCXSCWLDJYKY-UHFFFAOYSA-N 282.340 0.949 0 50 CCAA CC(C)[C@]1(O)CN(CCN2CCCC2=O)C[C@H]1C 91410554 BDSBNFBVDNNHJW-TZMCWYRMSA-N 254.374 0.948 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@H](C(N)=O)C2)c(=O)[nH]c1C 91872370 CRELMXIJKYWEEY-SNVBAGLBSA-N 277.324 0.329 0 50 CCAA COCC[C@]1(CO)CCCN(CCCn2cnnn2)C1 91526483 WNRPVWDPBWQWMP-CYBMUJFWSA-N 283.376 0.174 0 50 CCAA CCN1CCN(Cc2cn(C)nc2C)[C@H](C)C1=O 97772805 RGPLWTYJEOUURH-LLVKDONJSA-N 250.346 0.781 0 50 CCAA Cc1nonc1CNC(=O)C1CCN(C(=O)N(C)C)CC1 244673755 HUYUIZLEJSLYTA-UHFFFAOYSA-N 295.343 0.388 0 50 CCAA COc1cccnc1N1CC[C@@H](n2cc(C(N)=O)nn2)C1 624307069 YKNXUJUEWQFXRD-SECBINFHSA-N 288.311 0.232 0 50 CCAA O=C1C[C@H](C(=O)N2CCCNCC2)C2(CCCC2)O1 534666137 RTIHLUSEECRPAX-LLVKDONJSA-N 266.341 0.684 0 50 CCAA Cn1nc2cccc(S(=O)(=O)N3CCC[C@H](N)C3)c2n1 534640057 VPAZXYGTUHJXKC-VIFPVBQESA-N 295.368 0.080 0 50 CCAA CCc1cc(Sc2nnc(CN)n2C)nc(N(C)C)n1 534587141 DPYPSTXXRIEWNB-UHFFFAOYSA-N 293.400 0.843 0 50 CCAA CC(=O)c1ccc(NC(=O)NC[C@]2(O)CCNC2)cc1 299792905 GCMFKUGNKZYVRB-AWEZNQCLSA-N 277.324 0.735 0 50 CCAA CCc1c(C)nn(C)c1NC(=O)N[C@@H]1CNCC[C@H]1O 299758060 ADGNCKNIPPAODC-GHMZBOCLSA-N 281.360 0.135 0 50 CCAA Cc1ncn(CCNS(=O)(=O)c2cccnc2)c1C 825284765 JAXFUELFTLZTEB-UHFFFAOYSA-N 280.353 0.873 0 50 CCAA CN1CCC(CCC(=O)NC[C@H]2CN(C)CCN2C)CC1 823761124 KDUMLKHHUOIPCT-HNNXBMFYSA-N 296.459 0.470 0 50 CCAA CC[C@@](O)(CCCO)CNC(=O)c1cccc(N)n1 584892162 CGUDVNAYCGGSFQ-CYBMUJFWSA-N 267.329 0.307 0 50 CCAA CCc1ncc(S(=O)(=O)N(C)Cc2nncn2CC)[nH]1 670452397 UYDGQSPTOMYACL-UHFFFAOYSA-N 298.372 0.404 0 50 CCAA CCS(=O)(=O)NC[C@H](C)NCc1nncn1C(C)C 670453704 RAKYITBNUIAGGO-JTQLQIEISA-N 289.405 0.276 0 50 CCAA CC(C)n1cccc1C(=O)N(C)[C@H]1COC[C@@H]1O 244898899 ZDQDZDPMFUTBAE-RYUDHWBXSA-N 252.314 0.901 0 50 CCAA CC(C)(CNCCSc1cnn[nH]1)N1CCOCC1 952981546 NCLKRWWYMFRSBV-UHFFFAOYSA-N 285.417 0.597 0 50 CCAA CN(C)c1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1 277043477 KOBYXIVADRUSFW-NSHDSACASA-N 270.354 0.508 0 50 CCAA CO[C@@H]1CN(C(=O)c2nc[nH]c3nccc2-3)[C@](C)(CO)C1 634075021 RGBYKLPPDXGSEK-XPTSAGLGSA-N 290.323 0.521 0 50 CCAA COCC(=O)N1CCN(c2nccc(C(C)C)n2)CC1 186511405 FYTQJFADWIUEBH-UHFFFAOYSA-N 278.356 0.895 0 50 CCAA CNC(=O)[C@H]1CN(Cc2ccc(F)nc2)CCO1 170601331 CKKWROYXGXQIDJ-SNVBAGLBSA-N 253.277 0.168 0 50 CCAA CN1CCCN(C(=O)c2nn[nH]c2-c2ccccc2)CC1=O 170619317 VDZCELHQGNJZFU-UHFFFAOYSA-N 299.334 0.776 0 50 CCAA C[C@@](O)(CN1CCC(S(N)(=O)=O)CC1)C(F)(F)F 407960174 XAJXRSXBPBMLSB-MRVPVSSYSA-N 290.307 0.053 0 50 CCAA Cc1ccc(NC(=O)CC[C@H]2NC(=O)NC2=O)c(O)c1 641993469 NZQABGDSOFYGGF-SECBINFHSA-N 277.280 0.627 0 50 CCAA CC(F)(F)CC(=O)N1CCC[C@](O)(CC(N)=O)C1 644000085 ASRIRBWJQOSZKQ-NSHDSACASA-N 264.272 0.261 0 50 CCAA CCOCC(=O)N1CCC[C@H](n2cc(C(=O)O)nn2)C1 566287541 GUVYXZLGXIFNTP-VIFPVBQESA-N 282.300 0.176 0 50 CCAA Cn1ccc(CC(=O)N2CCCC[C@H]2CC(=O)O)n1 653319571 SZYXLGFNHFPSAT-NSHDSACASA-N 265.313 0.818 0 50 CCAA CS(=O)(=O)C1(C(=O)N2CC(OC(F)F)C2)CC1 571805552 BCDONEPCUFVFNX-UHFFFAOYSA-N 269.269 0.014 0 50 CCAA CC(C)(C)CS(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)O)C1 579978737 BMHNRHLINKHORA-ZJUUUORDSA-N 293.385 0.520 0 50 CCAA Cn1cccc1C(=O)N[C@@H]1CCc2nnnn2CC1 585130114 IIWPKYZDXMWKQK-SECBINFHSA-N 260.301 0.147 0 50 CCAA Cc1cnc(N)nc1N1CCN(C(=O)N(C)C)CC1 91818866 HPRZQESXZNHENO-UHFFFAOYSA-N 264.333 0.171 0 50 CCAA COCCN1CCN(C(=O)[C@]2(C)C[C@@H](N)CCO2)C[C@@H]1C 1616036282 IDUZESMPGOHUCI-YDHLFZDLSA-N 299.415 0.062 0 50 CCAA CC(=O)N[C@@H](C(=O)NCc1nc[nH]c1C)C(C)C 222699205 NJJOOXXOWDCSPV-LLVKDONJSA-N 252.318 0.495 0 50 CCAA Cn1nncc1CNC(=O)C[C@@H]1C[C@H]2COC[C@@H]12 1857527720 MDIQZZKCZMZXJF-QXEWZRGKSA-N 250.302 0.104 0 50 CCAA CN(C)S(=O)(=O)N[C@H]1CCCCCC[C@@H]1O 1857671281 RSYVLIVQNPSNFK-UWVGGRQHSA-N 250.364 0.466 0 50 CCAA N=c1[nH]nc(N2CCO[C@@H](C(F)(F)F)C2)s1 1857675967 IUVKMDWEJQTPMY-SCSAIBSYSA-N 254.237 0.718 0 50 CCAA CN(Cc1ccoc1)C(=O)[C@H]1CC[C@@H](O)[C@H](N)C1 1857737890 ICANGTQRLBSYAW-QJPTWQEYSA-N 252.314 0.726 0 50 CCAA Cc1cc(C(N)=O)c(NCC(=O)NC2CC2)nc1C 1704333287 YRUXLNVZVHGRAG-UHFFFAOYSA-N 262.313 0.488 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](C(=O)O)C1 214475713 OYVCKUZJORUIFX-JGVFFNPUSA-N 261.274 0.068 0 50 CCAA COCC(=O)N1CCN[C@@H](c2cccc(F)c2)C1 335313520 ZRSSUVVGQGETHK-GFCCVEGCSA-N 252.289 0.945 0 50 CCAA C=CC(=O)N(C)CC(=O)N1C[C@H](CO)C2(CCC2)C1 1875370345 LCLXPACEQJRMEG-LLVKDONJSA-N 266.341 0.252 0 50 CCAA OC[C@]12CNC[C@@H]1CN(Cc1ccn3nccc3c1)C2 1772711403 IDFBONWXZVDIGJ-UKRRQHHQSA-N 272.352 0.348 0 50 CCAA Cn1c(=O)c(=O)n(C)c2cc(Br)ccc21 5424558 JKFMIMJEBVNKOA-UHFFFAOYSA-N 269.098 1.000 0 50 CCAA CCOC(=O)C1=C(C)N[C@@]2(O)c3ccccc3C(=O)[C@]12O 13772032 AANNAPQFFOIMQA-HUUCEWRRSA-N 289.287 0.199 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)Cn1ncc2ccccc21 262492426 MEDGHBNDMIBAID-LBPRGKRZSA-N 289.291 0.348 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H](C)Cc1c(C)noc1C 859494357 SSZBGNQHCPDTPQ-SECBINFHSA-N 279.340 0.983 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(OCCO)C3)n[nH]c21 1875396597 ODLLMGARGYMWSZ-BDAKNGLRSA-N 295.339 0.265 0 50 CCAA N[C@@H]1CCc2nc(C(=O)N3CCCC[C@@H]3C(=O)O)cn2C1 1875354125 AISOWHDSNGXTOG-MWLCHTKSSA-N 292.339 0.236 0 50 CCAA NC(=O)CN1CCN(Cc2cccc(Cl)c2)CC1 20437232 DNMKWMYTWBVWLJ-UHFFFAOYSA-N 267.760 0.943 0 50 CCAA COCC1(O)CN(S(=O)(=O)c2cc(C)sc2C)C1 295871800 YWLCARRDXFTURD-UHFFFAOYSA-N 291.394 0.747 0 50 CCAA CCn1ccnc1CN1CCN(S(=O)(=O)CC)CC1 330365718 QDBRKWCJAWJROM-UHFFFAOYSA-N 286.401 0.370 0 50 CCAA Cn1cnc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3CC[C@H]2O3)c1 2325777677 UYDKAIRFNPGKAD-IVZWLZJFSA-N 299.352 0.183 0 50 CCAA N[C@H]1C=C[C@@H](CC(=O)NCCCN=c2nccc[nH]2)C1 2325798978 MKFDMHRAHRQGDZ-NEPJUHHUSA-N 275.356 0.110 0 50 CCAA Nc1ncnc2c1ncn2C[C@@H]1C[C@H]1[C@H]1CCNC1 2325857946 VRPRGCWYVOUHMA-GUBZILKMSA-N 258.329 0.654 0 50 CCAA CCCc1nc(C(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)cs1 2356137991 DLAUJMGUYZYCLK-DTWKUNHWSA-N 279.365 0.914 0 50 CCAA Cn1nnnc1[C@@H]1CN(c2ncc(Cl)cc2F)CCO1 2356139372 WUUKSJQFEZRBDL-VIFPVBQESA-N 298.709 0.976 0 50 CCAA CCN=c1ccnc(N2C[C@H]3COC[C@@]3(COC)C2)[nH]1 2356146042 OVNMVZBBLLURSG-FZMZJTMJSA-N 278.356 0.430 0 50 CCAA CCCCN1C(=O)[C@@H]2N=C(O)N[C@H]2N(CC)C1=O 6051048 RCDWSMRVDGNVAD-SFYZADRCSA-N 254.290 0.283 0 50 CCAA CCOCc1ccc(C(=O)Nn2cn[n+](C)c2)cc1 6844517 ZIUKZACQDFABDY-UHFFFAOYSA-O 261.305 0.628 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)NC2=O 22052895 DHJXKTPWDXJQEK-UHFFFAOYSA-N 269.301 0.596 0 50 CCAA in-vitro CCN1C[C@H](CN(C)C(=O)Cc2c(C)n[nH]c2C)CC1=O 1506406758 GAJVAATZCGARER-LBPRGKRZSA-N 292.383 0.896 0 50 CCAA NC(=O)c1noc([C@H]2CCCN2CCn2cccn2)n1 328636613 ODKTZJPPYYTLCY-SECBINFHSA-N 276.300 0.202 0 50 CCAA CC[C@H](CNS(C)(=O)=O)N[C@H]1CCNCC[C@@H]1C 331843878 GXBDBNMZBRFNSX-TUAOUCFPSA-N 277.434 0.292 0 50 CCAA O=C(CCCNCc1ccccc1)N[C@@H]1CCOC[C@H]1O 219940707 IUDPGSHOLPKMMR-HUUCEWRRSA-N 292.379 0.822 0 50 CCAA CCc1ncc(C(=O)NCCNC(=O)C(F)(F)F)cn1 71757251 CXEJJYRWPBZWMD-UHFFFAOYSA-N 290.245 0.447 0 50 CCAA COC(=O)[C@@H]1CNC[C@H]1CNC(=O)OC(C)(C)C 258106969 WWJZPYMFPNHZBD-DTWKUNHWSA-N 258.318 0.520 0 50 CCAA Cc1cncc(CNC(=O)N2CC(=O)N(C3CC3)C2)c1 334597648 VQADDMBJDXPGQS-UHFFFAOYSA-N 274.324 0.864 0 50 CCAA O=C(CN1CCCC1)NCc1noc([C@H]2CCCO2)n1 222840016 OIEDVAKGQQAHQD-SNVBAGLBSA-N 280.328 0.633 0 50 CCAA Cc1cccc2ncc(C(=O)NCCn3ccnc3)c(=O)n12 426674144 HHHFCFVWRMPIHE-UHFFFAOYSA-N 297.318 0.629 0 50 CCAA Cc1nc2ccccn2c1CC(=O)N[C@H](C)Cn1cncn1 426593663 JMNWGTVYUDHXON-LLVKDONJSA-N 298.350 0.982 0 50 CCAA Cc1ccn2cc(C(=O)NCCOCCO)nc2c1 49753070 WDZISGWTJLCIKO-UHFFFAOYSA-N 263.297 0.381 0 50 CCAA COc1ncc(C(=O)NCCN2CCCC[C@@H]2CO)cn1 426489735 YECKVHSIDQCTQH-GFCCVEGCSA-N 294.355 0.062 0 50 CCAA C[C@@H]1[C@H](N(C)CCO)CCN1Cc1ccc(CO)o1 292854911 UPSJJYBBHRIAFS-BXUZGUMPSA-N 268.357 0.659 0 50 CCAA CC(C)(C)[C@H]1OCCC[C@H]1CN=c1[nH]c(=N)[nH]c(=N)[nH]1 623981817 WDFJIYHXJCJZBX-IUCAKERBSA-N 280.376 0.372 0 50 CCAA CS(=O)(=O)N1CCc2ccc(NC3=CC(=O)NC3)cc21 524732981 HUYWCIFLEFLICB-UHFFFAOYSA-N 293.348 0.434 0 50 CCAA O=C(O)CN(C(=O)[C@@H]1CCCO1)C1CCOCC1 299742322 BESXJZPOUKHZAG-JTQLQIEISA-N 257.286 0.258 0 50 CCAA CC(C)CN1CCN(C(=O)NCCC(=O)O)[C@@H](C)C1=O 263368594 MEPVKBLGWXLCPA-JTQLQIEISA-N 285.344 0.359 0 50 CCAA CC(C)[C@@H](NC(=O)c1cc2ncccn2n1)c1ncnn1C 534585488 FAPXLMJXFHDQMX-GFCCVEGCSA-N 299.338 0.985 0 50 CCAA Cc1nc[nH]c1CN1CC[C@@H](Nc2ncccn2)[C@H](O)C1 299757296 KQGHDGWPZIIEOS-DGCLKSJQSA-N 288.355 0.555 0 50 CCAA C[C@@H](CO)NS(=O)(=O)CC(=O)c1ccccc1 725375468 HPEGUAUTJYRCPU-VIFPVBQESA-N 257.311 0.170 0 50 CCAA CCN1C[C@H](c2nc(CC(N)=O)nn2C(C)(C)C)CC1=O 823102351 FHLJARNHTUKTGZ-SECBINFHSA-N 293.371 0.397 0 50 CCAA CSCCC(=O)NCCCN1CCC[C@@H](CO)C1 584895703 YHDHZRYDUFRTDI-GFCCVEGCSA-N 274.430 0.950 0 50 CCAA CC(=O)N1CCN(Cc2nccs2)C[C@@H](O)C1 670451158 UJKYIAWGPBTCGG-SNVBAGLBSA-N 255.343 0.168 0 50 CCAA CN(C(=O)Cc1nc(C2CC2)n[nH]1)[C@H]1CCCCNC1=O 1412482341 KAQVIZSKADHANT-JTQLQIEISA-N 291.355 0.352 0 50 CCAA OC[C@H]1CCN(CCc2ccc(O)cc2)C[C@@H]1O 1529180420 IPUYZDAOEHHHIM-OCCSQVGLSA-N 251.326 0.610 0 50 CCAA COC(=O)C1(NC(=O)OC(C)(C)C)CC(CN)C1 1535543609 GHQPBZLZESNOIG-UHFFFAOYSA-N 258.318 0.792 0 50 CCAA Cc1cc(C(=O)NCCc2ccc(O)c(CO)c2)ncn1 1363258552 GNUUZVUTIHZKFS-UHFFFAOYSA-N 287.319 0.955 0 50 CCAA Cc1noc(-c2ccn3c(CC(=O)O)nnc3c2)n1 70451544 KGRIFBGKVJCIGY-UHFFFAOYSA-N 259.225 0.715 0 50 CCAA in-vitro C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cccc(=O)n2C)C1 1455678164 UMUCFGYBMKHIMX-JTQLQIEISA-N 286.335 0.943 0 50 CCAA Cc1ccn2ncc(C(=O)N[C@H]3CC[S@@](=O)C3)c2n1 408306053 OSYBLPGOCCYPMT-ZRNGKTOUSA-N 278.337 0.289 0 50 CCAA CC[C@@H](NC(=O)[C@@H]1CCCCC(=O)N1)C(OC)OC 408523673 UNZGXHWNBCMFON-ZJUUUORDSA-N 272.345 0.559 0 50 CCAA C[C@H](Cn1cccn1)NC(=O)c1c[nH]nc1[C@@H]1CCOC1 275271989 JLPVWYRBGKHVRR-GHMZBOCLSA-N 289.339 0.929 0 50 CCAA Cc1c([C@H]2OCC[C@@H]2C(=O)N2CCCO2)cnn1C 275331614 FZKBEMMGRDWXNS-JQWIXIFHSA-N 265.313 0.970 0 50 CCAA O=C(NCCc1nc2cc(F)ccc2[nH]1)[C@H]1CNCCO1 188262426 CJOHKCXHJOIJIW-GFCCVEGCSA-N 292.314 0.349 0 50 CCAA NC(=O)c1cc(C(=O)NCC[C@@H](O)c2ccccc2)c[nH]1 742823251 KEKMBWFYVYDHOT-CYBMUJFWSA-N 287.319 0.967 0 50 CCAA COc1cccc(-c2cn(CCN3CCOCC3)nn2)n1 641032481 AXRKPKUWNUUJLS-UHFFFAOYSA-N 289.339 0.681 0 50 CCAA CN(CC(=O)N(C)C)C[C@@H]1CCCO[C@H]1c1nccn1C 667480953 BLRNJVGCAALPMI-GXTWGEPZSA-N 294.399 0.908 0 50 CCAA COc1cnc(C(=O)N2CCCNC(=O)[C@@H]2C)c(F)c1 1615057773 JHVVNJDRBUSOAH-QMMMGPOBSA-N 281.287 0.580 0 50 CCAA Cc1noc([C@H]2C[C@@H](O)CN2Cc2cnn(CCF)c2)n1 1615002453 DIQLHVKOLBJEJC-VXGBXAGGSA-N 295.318 0.852 0 50 CCAA O=C1CNCCN1[C@@H]1CCCN(C[C@H]2C[C@H]3CC[C@H]2N3)C1 1615587666 PRUOLQQLGITALT-KBUPBQIOSA-N 292.427 0.023 0 50 CCAA O=S(=O)(NCCc1cnoc1)c1ccns1 907388409 LTKXYRMUDDWCJN-UHFFFAOYSA-N 259.312 0.652 0 50 CCAA CCN([C@@H]1CCN(CC(F)(F)F)C1)S(=O)(=O)NC 907358981 FOSPZAOHLXVPOA-MRVPVSSYSA-N 289.323 0.409 0 50 CCAA COc1ccc(/C=c2\sc3ncnn3c2=O)cc1 13150186 SUKZTPQBMIEINA-POHAHGRESA-N 259.290 0.707 0 50 CCAA COC(=O)c1cnc(N2CC[C@H]3CCN(C)C[C@H]32)nc1 408028959 VJGYULXRJZTMKO-ZYHUDNBSSA-N 276.340 0.794 0 50 CCAA NC1(C(=O)N2CCC[C@H](Cn3cncn3)C2)CCCC1 237887029 SZHPXEPMTNRTII-LBPRGKRZSA-N 277.372 0.788 0 50 CCAA O=C(O)[C@H]1CCCN(C(=O)Cn2cc(C3CC3)nn2)C1 128549071 QGGYSQIDEPJFJY-JTQLQIEISA-N 278.312 0.479 0 50 CCAA Cc1nn(C)cc1CN1CCN(C(=O)[C@H]2CCCO2)CC1 160963847 MWVXGUFWRMZGPJ-CQSZACIVSA-N 292.383 0.552 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@H]1CCCOCC1 901337068 RARZUANNQHLWNH-NSHDSACASA-N 254.330 0.706 0 50 CCAA Cc1nc(NC[C@@H](O)CN2CCCCC2)ncc1C(=O)O 910276225 CMAKVCPLLXATMF-LLVKDONJSA-N 294.355 0.742 0 50 CCAA COc1ncc(-c2cc(NC(C)=O)ncn2)c(OC)n1 1240903333 JCTIQPUVJRKMMF-UHFFFAOYSA-N 275.268 0.909 0 50 CCAA CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)O)CCN1 1857778242 RCTFOATVBWSHCO-RKDXNWHRSA-N 258.318 0.964 0 50 CCAA C[C@H](NCc1cnn2c1CN(C)CC2)c1c[nH]ccc1=N 952886928 VFHSNTCQOYEESX-NSHDSACASA-N 286.383 0.987 0 50 CCAA O=C1C[C@]2(CCCN(C(=O)/C=C/CN3CCCC3)C2)CN1 1875338213 PWOOMSLAGJZQRM-LLCTXKFZSA-N 291.395 0.767 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)CC1CCOCC1 257720948 URVAGFDDVNCWMH-JTQLQIEISA-N 257.286 0.115 0 50 CCAA O=C(O)CC1(NC(=O)c2cncc(F)c2)CCOCC1 262817075 VGZNCJCBQFXPBA-UHFFFAOYSA-N 282.271 0.974 0 50 CCAA CC(C)n1cnnc1CN1CCN([C@@H]2CCNC2)CC1 299763587 YFAJCIWHQBGSGS-CYBMUJFWSA-N 278.404 0.339 0 50 CCAA O=C(N[C@@H]1CCO[C@@H]1C(=O)O)c1cc(F)ccc1F 703004478 DONQKTQBWGLOAL-ZJUUUORDSA-N 271.219 0.937 0 50 CCAA O=C(O)Cc1csc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)n1 719087689 NKUVHWJFJABJNC-KXUCPTDWSA-N 296.348 0.954 0 50 CCAA Cc1c[nH]nc1C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 907959313 ZZYNLJGZMBAKFC-AATLWQCWSA-N 263.297 0.947 0 50 CCAA CC1(C)C[C@H](CC(=O)N=c2cc3n([nH]2)CCOC3)CN1 2325789164 ADNLWHPQSVWNIZ-JTQLQIEISA-N 278.356 0.552 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)NCCCNC2=O 2325712094 IZOWNDIPYZIZJH-UHFFFAOYSA-N 255.318 0.085 0 50 CCAA O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1 4899447 OIDKVWTWGDWMHY-RYUDHWBXSA-N 278.308 0.256 0 50 CCAA endogenous,in-man CCOc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1 6730526 JNVYWGKXEHPOHC-UHFFFAOYSA-N 272.326 0.191 0 50 CCAA CCOCCN1CCN(C(=O)c2ccon2)CC1 110918828 NTGMNOHYZQWTCG-UHFFFAOYSA-N 253.302 0.469 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c[nH]1 230956270 NTUOCLYHSIVDOU-GHMZBOCLSA-N 250.298 0.573 0 50 CCAA Cc1ccc(S(=O)(=O)NCCCn2cncn2)cc1 32498274 SZLSZNMQRPAGPW-UHFFFAOYSA-N 280.353 0.955 0 50 CCAA CCC[C@](C)(O)C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328618684 DXEYJNGCOGOVOZ-FZMZJTMJSA-N 280.372 0.776 0 50 CCAA O=C1O[C@@H](CN2CCC3(C2)OCCO3)CC12CC2 252500751 TUYNFOJEHAKTNG-SNVBAGLBSA-N 253.298 0.531 0 50 CCAA CN1CCO[C@@H](CN(CC(=N)O)C(=O)[C@@H]2CCCOC2)C1 328638171 OZPGBMKVTPYGHI-VXGBXAGGSA-N 299.371 0.107 0 50 CCAA O=C(NC[C@H]1COCCO1)c1ncc(F)cc1F 215694581 VPNGKDUBCIFPLE-QMMMGPOBSA-N 258.224 0.505 0 50 CCAA O=C(CCc1cccnc1)NC[C@@H]1CCNC[C@H]1O 72153059 KZMFNRBVQSTKST-QWHCGFSZSA-N 263.341 0.101 0 50 CCAA Cc1nc(CNS(=O)(=O)c2ccnn2C)sc1C 330914636 JEBWKZKFBXMEKS-UHFFFAOYSA-N 286.382 0.972 0 50 CCAA Cc1cc(NCCN2CCNC2=O)n2nc(C)cc2n1 72430798 WYOMYSBLAFVCLT-UHFFFAOYSA-N 274.328 0.783 0 50 CCAA Cn1ccnc1[C@H]1CCN(c2cncc(OCCO)n2)C1 364651383 YIENOZVKRXMDQV-NSHDSACASA-N 289.339 0.575 0 50 CCAA CCNC(=O)CN1CCN(Cc2nccn2C(C)C)CC1 72148439 FFLHUOQCILJTTG-UHFFFAOYSA-N 293.415 0.718 0 50 CCAA CCOCCn1nc(C)cc1C(=O)N[C@H]1CC[C@H]1N 72152234 QWBAEBCZJLIWBF-MNOVXSKESA-N 266.345 0.448 0 50 CCAA O=S(=O)(c1cn[nH]c1)N1C[C@@H](CO)Cc2ccccc21 366151539 IYGSHRBQLNPICN-JTQLQIEISA-N 293.348 0.770 0 50 CCAA NC(=O)CC[C@@H]1CCCN(C(=O)[C@H]2CSCN2)C1 156403706 SUZGMPHWXZKHDN-VHSXEESVSA-N 271.386 0.153 0 50 CCAA O=C(C(=O)N1CC[C@]2(CCCN2)C1)N1CC2(CCCC2)C1 335378365 QIRRUFRMKPAOLN-MRXNPFEDSA-N 291.395 0.744 0 50 CCAA CC1=C[C@H](C)CN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1 336290918 XTDDLLWCBMNOQY-ONGXEEELSA-N 274.386 0.691 0 50 CCAA Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2C(=O)O)c(O)n1 262485272 BBUIBEDYCOUIIF-RKDXNWHRSA-N 264.281 0.741 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@H](C(=O)O)C1 262486161 VNAKGRMBEHIKJI-SRVKXCTJSA-N 285.340 0.894 0 50 CCAA Cn1cncc1CN1CCNC(=O)[C@@H]1Cc1ccccc1 215569912 RTHBAKOYWIKXSP-HNNXBMFYSA-N 284.363 0.963 0 50 CCAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(N)n[nH]1 221424248 KEYIVGZAZGTYFZ-SNVBAGLBSA-N 279.344 0.465 0 50 CCAA COCCCn1cnnc1CNC(=O)CN1CCCC1 222653652 HJSWDFBRGCRPGX-UHFFFAOYSA-N 281.360 0.027 0 50 CCAA CCCN(C(=O)Cc1nc(O)n[nH]1)[C@@H]1CCCC[C@H]1O 426597214 KEWTXJUUSODLHD-NXEZZACHSA-N 282.344 0.595 0 50 CCAA Cc1ccnc(N2CC[C@@H](N3CCN(C)CC3)C2)n1 95385323 YCBGNHIMVGVYKL-CYBMUJFWSA-N 261.373 0.611 0 50 CCAA CCN(CCc1c(C)n[nH]c1C)[C@H]1COC[C@@H]1O 426589689 AKYRXGDPSYCHBL-STQMWFEESA-N 253.346 0.651 0 50 CCAA O=C(Cn1ccnn1)N1CC[C@H](Oc2ccccc2)C1 426489849 BRMQORBPKDCLAN-ZDUSSCGKSA-N 272.308 0.958 0 50 CCAA O=C1NCCCc2[nH]c(-c3n[nH]c4c3CCC4)nc21 95356016 RGDXPFRRQTYQJH-UHFFFAOYSA-N 257.297 0.965 0 50 CCAA COCCNC(=O)N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1 244700847 JVCVEVIZTYNIMZ-JHJVBQTASA-N 285.388 0.071 0 50 CCAA CN1CCO[C@@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)C1 534582593 YPEZEKCUTXVZSF-ZETCQYMHSA-N 292.261 0.489 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)CCN1CCCC1 534636347 UCUJBSJKNLCUIZ-RYUDHWBXSA-N 256.346 0.392 0 50 CCAA CCCS(=O)(=O)NCCCn1ccccc1=O 822993580 WXNALGXHXVEJCC-UHFFFAOYSA-N 258.343 0.568 0 50 CCAA CCc1noc([C@@H](C)NS(=O)(=O)c2cnn(CC)c2)n1 823603580 ROANJBYWYOJCLB-MRVPVSSYSA-N 299.356 0.888 0 50 CCAA COCCN1CC[C@@H](CNC(=O)[C@H]2CC[C@H](O)CC2)C1 824412389 LVOGMPICYJNIIG-IHRRRGAJSA-N 284.400 0.622 0 50 CCAA CN(Cc1cnn(C)c1)[C@@H]1CCC[C@H]1S(C)(=O)=O 239637074 BIRJQMYJGFJXMQ-VXGBXAGGSA-N 271.386 0.818 0 50 CCAA O=C(c1cnn2ccncc12)N1CCOCC12CC2 1344716073 BAAKRARLIINOPV-UHFFFAOYSA-N 258.281 0.734 0 50 CCAA O=C(CC1=CCCC1)N[C@H]1CCOC[C@@H]1OCCO 1565525699 PHSZAAFGIUZXED-STQMWFEESA-N 269.341 0.769 0 50 CCAA CCN(Cc1ccc(F)cc1)C(=O)Cn1[nH]nnc1=N 952971889 YLETUOMVFDIBJK-UHFFFAOYSA-N 278.291 0.273 0 50 CCAA CCc1ncnc(N(C)CC(=O)N2CCOCC2)c1F 270942226 MSRZCURJFFWNLF-UHFFFAOYSA-N 282.319 0.473 0 50 CCAA CCOCCC(=O)N1CCN(C)[C@H](c2nccn2C)C1 276781453 UYBDOECDZYLPTL-LBPRGKRZSA-N 280.372 0.662 0 50 CCAA CN1CCO[C@@H](C(=O)Nc2cn(C)nc2C(F)(F)F)C1 407974148 LYKLYUKYJMOCKI-MRVPVSSYSA-N 292.261 0.708 0 50 CCAA O=C(NS(=O)(=O)[C@H]1CCOC1)[C@H]1C[C@@H]1C1CC1 408133092 NGVIVAWHYYQWQK-AEJSXWLSSA-N 259.327 0.267 0 50 CCAA C[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 170617173 VDDYNJQZMPQGQT-VIFPVBQESA-N 280.324 0.350 0 50 CCAA C=CC(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 408525919 PGKKKHZELQZGFB-UHFFFAOYSA-N 293.411 0.965 0 50 CCAA Cn1cc(C(=O)NS(=O)(=O)CCC2CCCC2)nn1 408505456 ZGVBECRJZTUCTH-UHFFFAOYSA-N 286.357 0.455 0 50 CCAA CCN(CC(N)=O)C(=O)Cc1cc(F)ccc1F 189712244 WHIBDEZORCIZPV-UHFFFAOYSA-N 256.252 0.841 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1n[nH]cc1C 643765990 XQFPWSXFKBCXMQ-ZDUSSCGKSA-N 266.345 0.445 0 50 CCAA CCOC(=O)[C@@]1(C(C)C)CCN(S(C)(=O)=O)C1 193551403 UWZFMKVCQWFLTI-NSHDSACASA-N 263.359 0.857 0 50 CCAA O[C@]1(Cn2ccnn2)CCN(c2ccnc3ccncc23)C1 671466681 LTNUGOCLLOAFFQ-OAHLLOKOSA-N 296.334 0.863 0 50 CCAA CC[C@@H](C)[C@H](C(=O)NCCCn1ccnc1)n1cnnn1 1615156293 UGCKCXPUCRQUHC-VXGBXAGGSA-N 291.359 0.663 0 50 CCAA CNC(=O)[C@@H](NC(=O)c1nccn1C)c1ccccc1 1506398129 GZFIKIYAGOXYLI-NSHDSACASA-N 272.308 0.637 0 50 CCAA O=C(NCc1cncn1C1CC1)c1cnc(O)cn1 220362146 IHSRCLVUTNCGJN-UHFFFAOYSA-N 259.269 0.644 0 50 CCAA CN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)NC1=S 94024 QFCBOFBPTGGCBO-POHAHGRESA-N 292.316 0.837 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1cccnc1 225675311 JERWRHFLMJMVBC-WISYIIOYSA-N 274.276 0.352 0 50 CCAA CN(C)CCCN1CCN(c2cncc(N)n2)CC1 1857682104 NQXMCALKCGEWDL-UHFFFAOYSA-N 264.377 0.133 0 50 CCAA COC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2579370 SSATZBUCOTXXGA-DJLDLDEBSA-N 259.302 0.824 0 50 CCAA in-vitro C[C@H]1CN(C(=O)[C@@H]2CCCN2)CCN1CC(F)(F)F 237621936 KRTXNQAVPJJCDH-UWVGGRQHSA-N 279.306 0.833 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)c1cncn1C 576742543 TWZBCVFJTLJPFL-ONGXEEELSA-N 253.302 0.344 0 50 CCAA O=C1CO[C@]2(CCN(Cc3ccn4nccc4c3)C2)CN1 1772804622 BVFGLOYZMTYHSZ-OAHLLOKOSA-N 286.335 0.425 0 50 CCAA C[C@@H](COc1ccccc1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772816462 RNOJEZVUMMFNDG-AEGPPILISA-N 277.364 0.987 0 50 CCAA C[C@H]1[C@@H](C)N(C[C@@H](O)C(F)(F)F)CCS1(=O)=O 248393471 LUKKEBAUJXVIGL-GJMOJQLCSA-N 275.292 0.417 0 50 CCAA COC(=O)N1C[C@@H]2CCC(=O)C[C@H]2C[C@H]1C(=O)O 150099280 RICCPAMKOBPCLO-NRPADANISA-N 255.270 0.897 0 50 CCAA O=C([C@H]1OCC[C@H]1Cn1ccnc1)N1CCCNCC1 1857533172 XDOVYYCXZVQYEV-STQMWFEESA-N 278.356 0.110 0 50 CCAA Cc1nnnn1CC(=O)Nc1ccnn1C1CCCC1 123280967 ZTYLPDCPWBAMTJ-UHFFFAOYSA-N 275.316 0.932 0 50 CCAA Cn1c(=O)oc2ccc(NC(=O)[C@@H]3COCCN3)cc21 237707649 JLKKUICFUAAPFA-VIFPVBQESA-N 277.280 0.058 0 50 CCAA CC(=O)N1CC[C@H](C(=O)N2CCC[C@H](C)[C@@H]2CN)C1 237708280 QRKKVDLIPYYAPK-DRZSPHRISA-N 267.373 0.441 0 50 CCAA O=C(NCCCCO)c1ccnc2[nH]c(O)nc12 585140781 KWVXIHDXMJZJMV-UHFFFAOYSA-N 250.258 0.166 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cnn(C)c2)C[C@H](C(=O)O)O1 909896847 DONLRSKMUXFVAP-NUGNTBJXSA-N 293.323 0.224 0 50 CCAA Cn1ccc(C(=O)N2CCc3occc3[C@@H]2C(=O)O)n1 910202649 IXXCWEMDNRLODJ-LLVKDONJSA-N 275.264 0.837 0 50 CCAA O=C(NC[C@@H]1CCCNC1)[C@@H]1CCO[C@H]1C1CC1 911703437 DRLGBCVPLYOIRG-RTXFEEFZSA-N 252.358 0.917 0 50 CCAA CCOC(=O)Cc1csc(NC(=O)CN(C)C)n1 16551933 OEMCGHNSQYNGMW-UHFFFAOYSA-N 271.342 0.749 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H]1COc2ccccc2C1 858480644 YSHDRHFHCFSKIO-GFCCVEGCSA-N 274.320 0.751 0 50 CCAA C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(C)CCNC2)CCN1C 237565745 PSZWLOFMBDIYRS-DYEKYZERSA-N 253.390 0.927 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cnn(C(C)C)c1N 1875273262 KHMNNDUWXUEMMQ-SNAWJCMRSA-N 266.301 0.505 0 50 CCAA CNC(=O)c1ccc(CC(=O)NC/C=C/C(=O)OC)cc1 1875333151 FCOKEVGJRONWGJ-ONEGZZNKSA-N 290.319 0.434 0 50 CCAA O=C(NCCc1ccccc1Cl)[C@H]1C[C@H](O)CN1 277679825 VAEKOGWOLVSKKI-CMPLNLGQSA-N 268.744 0.722 0 50 CCAA O=C(O)CN1CCN(CCOCc2ccccc2)CC1 309665457 PDRFOXYXFMROQJ-UHFFFAOYSA-N 278.352 0.905 0 50 CCAA CNC(=O)CC1CCN(CCOCCOC)CC1 79474070 NUPKBNMKIPBBQK-UHFFFAOYSA-N 258.362 0.498 0 50 CCAA NCC[C@@H](NC(=O)[C@H]1CCc2nccn2C1)C(F)(F)F 655464712 GABGFFVYNCSLDY-DTWKUNHWSA-N 290.289 0.841 0 50 CCAA CCOC(=O)Cn1c2ccccc2n2nc(C)c(=O)nc12 52840 UCMIVQLHDLAMFI-UHFFFAOYSA-N 286.291 0.916 0 50 CCAA COc1ncccc1CN1CCO[C@H](c2nnn(C)n2)C1 2100539576 OMWGXMBWQQWVSR-NSHDSACASA-N 290.327 0.187 0 50 CCAA Cn1cc([C@H]2C[C@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H]3C(=O)O)cn1 2325769509 LPPXOTISHMGBCF-VEGXAWMVSA-N 289.335 0.988 0 50 CCAA O=C(OCCc1nn[nH]n1)c1coc2c1CSC2 2325774807 VGACBKWGPCSANK-UHFFFAOYSA-N 266.282 0.939 0 50 CCAA CCCC1CN(c2ncnc3c2ncn3C[C@H](O)CO)C1 2325815248 ZITNRJZBRJBCGR-NSHDSACASA-N 291.355 0.416 0 50 CCAA Nc1ncc(C(=O)NC/C=C/CO)cc1Br 2325879891 LMMXIBRMIIJQHJ-OWOJBTEDSA-N 286.129 0.705 0 50 CCAA O=C(N[C@@H]1CCCC2(CC2)C1)N[C@@H]1CCNC1=O 895624654 ACITVHYKJSKRNE-NXEZZACHSA-N 251.330 0.897 0 50 CCAA O=C1C[C@H](NC(=O)c2nn(-c3ccccc3)cc2O)CO1 1450518744 JQOOZQXQWTXXMD-VIFPVBQESA-N 287.275 0.623 0 50 CCAA N[C@@H]1CCN(C(=O)c2cc(F)cc3nccnc23)C1 132392414 RWPUPINGVLIBTF-SECBINFHSA-N 260.272 0.942 0 50 CCAA COC(=O)C1CCN(C(=O)N2CCOCC2)CC1 192146 VFNJYPDVHNTYDV-UHFFFAOYSA-N 256.302 0.324 0 50 CCAA COC(=O)[C@H]1C(=O)N(C(C)=O)C[C@H]1c1ccccc1 210411 ICMXWPXCOAOFCK-NWDGAFQWSA-N 261.277 0.948 0 50 CCAA COc1ccc(C(=O)NCC(=O)NC2=NCCS2)cc1 467509 VELLEKMMAOHDOT-UHFFFAOYSA-N 293.348 0.644 0 50 CCAA aggregator Cc1ccc(CNC(=O)C(=O)NC[C@H]2CCCO2)cc1 2966617 OVULKDCFIBMZEL-CYBMUJFWSA-N 276.336 0.906 0 50 CCAA COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(N)=O 6697868 SDFGEDGDQYBSBH-LURJTMIESA-N 292.744 0.501 0 50 CCAA CN(Cc1cccn1C)C(=O)[C@H]1CCc2nncn2C1 342937375 PBJCFTLWGAUGFU-NSHDSACASA-N 273.340 0.838 0 50 CCAA O=C1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H]2CCCC[C@H]2N1 225470268 PQIAWKXPZONMMO-VXGBXAGGSA-N 288.351 0.782 0 50 CCAA CN(Cc1ccc2ccccc2n1)C(=O)[C@@H]1C[C@@H](N)CN1 67786329 UJRIAAVIRDXEAR-DOMZBBRYSA-N 284.363 0.882 0 50 CCAA CC1(C)CN(Cc2cc(C(N)=O)cs2)C[C@H](CO)O1 421361234 KPXKGCKWDIDRLO-SNVBAGLBSA-N 284.381 0.819 0 50 CCAA CC1CCN(S(=O)(=O)NCC2(C(=O)O)CCC2)CC1 138536358 KXRJINIJJWVEMP-UHFFFAOYSA-N 290.385 0.808 0 50 CCAA CC(C)N(C)CC(=O)Nc1ccn([C@H]2CCNC2)n1 328643902 ZBUXHFLCCJXEKJ-NSHDSACASA-N 265.361 0.696 0 50 CCAA COCCN(Cc1nccs1)C(=O)C[C@@H]1COCCN1 72145720 NFCNFHBVHWZJDG-LLVKDONJSA-N 299.396 0.497 0 50 CCAA CC1(C)NC(=O)N(c2cnn(C[C@H]3CCCO3)c2)C1=O 367610948 YBIGVUQRBWUVAY-SNVBAGLBSA-N 278.312 0.897 0 50 CCAA C[C@H](C(=O)NCCN1CCC[C@@H](O)C1)n1ccnc1 216178646 SSSMBMSYVPSPKA-VXGBXAGGSA-N 266.345 0.017 0 50 CCAA CCc1nccn1CCNC(=O)[C@H]1NCCc2[nH]cnc21 72477104 HYLLCNZUZAYSAE-ZDUSSCGKSA-N 288.355 0.172 0 50 CCAA Cc1nn(C)c(C)c1[C@H]1COCCN1CC(=O)N1CCC1 374468746 FBQLCEQXGQGFDA-CYBMUJFWSA-N 292.383 0.643 0 50 CCAA COCc1cccc(S(=O)(=O)N(C)[C@@H](C)C(=O)O)c1 262407928 KZFQQUZKTFDIFB-VIFPVBQESA-N 287.337 0.927 0 50 CCAA Cc1ncsc1CCC(=O)N1CCOC[C@H](CO)C1 77375710 SYHSIEIYZHAPDH-NSHDSACASA-N 284.381 0.851 0 50 CCAA C[C@H]1CN(C(=O)C(C)(C)O)CC2(CCOCC2)O1 375926302 FWVQBXRKAPKGFU-JTQLQIEISA-N 257.330 0.554 0 50 CCAA CCc1cc(C(=O)N2C[C@H](OC)C[C@H]2c2ncn[nH]2)[nH]n1 285826383 PEOSQSIXNALDNA-KOLCDFICSA-N 290.327 0.692 0 50 CCAA COC(=O)[C@@H](N)Cc1ccc(Br)cn1 133652661 YIQQDZYOYYDNNJ-QMMMGPOBSA-N 259.103 0.887 0 50 CCAA CC(C)(CO)CNc1cc(C2CC(N)C2)nc(N)n1 220480022 GPCNOPZQYGTSJU-UHFFFAOYSA-N 265.361 0.694 0 50 CCAA COC[C@H]1CN(c2ccc(C(N)=O)nn2)CC(C)(C)O1 285143111 SQRMFKHGJBQNJA-SECBINFHSA-N 280.328 0.206 0 50 CCAA COCC1(NC(=O)c2ccn(C)c(=O)c2)CCC1 285119097 HMTLLYCLDSJNFX-UHFFFAOYSA-N 250.298 0.684 0 50 CCAA COc1ccccc1CC(=O)N1C[C@H](F)C[C@H]1C(N)=O 286825299 LOXPMBVLHNIHCD-MNOVXSKESA-N 280.299 0.662 0 50 CCAA CC(=O)N1CCCC[C@@H]1C(=O)NCCn1ccnc1 221428392 MWVQVAVSPLXIOM-GFCCVEGCSA-N 264.329 0.400 0 50 CCAA Cc1ccn2ncc(C(=O)N[C@H](C)c3nc[nH]n3)c2n1 176228201 AGPLWOALGRGXBW-MRVPVSSYSA-N 271.284 0.647 0 50 CCAA COCCN1CCC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)C1 426359055 MTYZFWULYPHTDD-NDBYEHHHSA-N 296.367 0.134 0 50 CCAA NC1CC(c2cc(NC3CCN(CCO)CC3)ncn2)C1 222667522 OBBAVJWREPUVDM-UHFFFAOYSA-N 291.399 0.550 0 50 CCAA CC(C)[C@@H](NC(=O)CCCc1cn[nH]c1)C(=O)O 426395117 DKJXYFPMVAVPSO-LLVKDONJSA-N 253.302 0.958 0 50 CCAA Cc1nn(C)c(C(=O)N(C)C[C@@H]2COCCO2)c1Cl 426372517 UYCYXSBZQJPBBS-SECBINFHSA-N 287.747 0.869 0 50 CCAA Cn1nc(C2CC2)cc1NC(=O)NCCN1CCNC1=O 96130445 LDQIQRIEMATHKS-UHFFFAOYSA-N 292.343 0.444 0 50 CCAA O=C1N[C@H](C(=O)N2CCSCC2)Cc2ccccc21 97117712 WDRSQUWFHALVHM-LBPRGKRZSA-N 276.361 0.917 0 50 CCAA CCN(CC)CC1(NC(=O)c2cncc(=O)[nH]2)CC1 534648601 KQUJNPUBNNMJLU-UHFFFAOYSA-N 264.329 0.374 0 50 CCAA Cc1nnc(CN2CCC3(CC2)CNC(=O)O3)s1 299789832 ADAIKRXHOPJPHY-UHFFFAOYSA-N 268.342 0.921 0 50 CCAA CCc1noc(CCNC(=O)c2ccc3nnnn3c2)n1 584885955 VXDWKSZOXUFFTM-UHFFFAOYSA-N 287.283 0.042 0 50 CCAA CCOCCC(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 584890903 MUKPCZSGECPMBF-STQMWFEESA-N 270.373 0.471 0 50 CCAA COCCn1cncc1CNC(=O)c1cc(OC)ccn1 584900465 HSOANCDBGNGNPD-UHFFFAOYSA-N 290.323 0.863 0 50 CCAA Cc1ccc(-n2nnnc2N2CCN3C(=O)NC[C@H]3C2)cc1 267680480 PHPOJVJNRARNPY-LBPRGKRZSA-N 299.338 0.185 0 50 CCAA O=C(NC[C@@H]1CCCN(C(=O)CCO)C1)C1CCC1 952972462 FNHMHSYWGMJFNX-NSHDSACASA-N 268.357 0.524 0 50 CCAA CC(C)(C)OC(=O)N1CC(O)([C@@H](N)C2CCOCC2)C1 958527840 GMZYSAALVUGUJN-NSHDSACASA-N 286.372 0.722 0 50 CCAA Cc1noc([C@@H]2[C@@H](C)OCCN2S(C)(=O)=O)n1 408030816 NSIAAGPJAFGLEX-SVRRBLITSA-N 261.303 0.099 0 50 CCAA Cc1nn(C)c(NC(=O)[C@H](C)N2CCN(C)CC2)c1C 408201902 GSYRTIYRHDAIKF-LBPRGKRZSA-N 279.388 0.611 0 50 CCAA CC(=O)N1CCn2ncc(I)c21 411056871 COJYAKUOGRNFRN-UHFFFAOYSA-N 277.065 0.854 0 50 CCAA CO[C@@H](CS(=O)(=O)N1CCC[C@]1(C)C(=O)O)C(C)C 630446685 RAWSEGYBLRHYJP-CMPLNLGQSA-N 293.385 0.926 0 50 CCAA C[C@@H]1C(=O)N(C[C@@H](n2cncn2)C(F)(F)F)C(=O)N1C 630990558 DXAXZAGSFIAZBD-RNFRBKRXSA-N 291.233 0.664 0 50 CCAA C[C@H]1CN(C(=O)[C@H]2C[C@@H](C)O[C@H]2C)C[C@@H](C(=O)O)O1 1594201258 DXJXLWYXWRBWCZ-NMUGVGKYSA-N 271.313 0.500 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)O)C2)c1 547941686 ZBBRHWRSLWKBAL-VHSXEESVSA-N 299.352 0.772 0 50 CCAA CCOc1cnc(C(=O)N2CCC[C@H](O)C2)cn1 188171666 PFLBMHOLTXSGIN-VIFPVBQESA-N 251.286 0.472 0 50 CCAA O=C(O)CNC(=O)c1ccnc(OCC(F)(F)F)c1 190532375 FPMGTJWVIAGGRS-UHFFFAOYSA-N 278.186 0.837 0 50 CCAA O=C(N[C@]1(C(=O)O)CCc2ccccc21)[C@H]1COCCO1 675990878 LQGSIJZTYWZJTD-IUODEOHRSA-N 291.303 0.444 0 50 CCAA CC(C)n1cc([C@@]2(O)CCCN(S(C)(=O)=O)C2)nn1 583616419 PCXGDMZDOUZUKP-LLVKDONJSA-N 288.373 0.102 0 50 CCAA CN(C)[C@H]1C[C@H](N=c2[nH]ccn3cnnc23)C1(C)C 585092171 IBNQNHCOKMNHNI-UWVGGRQHSA-N 260.345 0.687 0 50 CCAA Cc1cc(Cl)ccc1C(=O)N[C@H]1CNC[C@@H]1O 699966284 AJPMYDFBFYSCMM-QWRGUYRKSA-N 254.717 0.711 0 50 CCAA C[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)c2ccc(F)cn2)C1=O 799608900 TYDJMYMGKQKQQZ-RISCZKNCSA-N 293.298 0.975 0 50 CCAA Cc1c(C(F)(F)F)n[nH]c1C(=O)N1CCO[C@H](CN)C1 1648979163 DWXMRYDMMYGPFN-SSDOTTSWSA-N 292.261 0.537 0 50 CCAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NCC(=O)O 1506428331 YSWBRXTZQJAHNU-UHFFFAOYSA-N 280.259 0.928 0 50 CCAA Cc1cc(C(=O)O)nc(NCCCN2CCC[C@@H](O)C2)n1 1506403415 RCTFATLNXZNSDW-LLVKDONJSA-N 294.355 0.742 0 50 CCAA Cc1noc(C)c1CCC(=O)N1CC[C@H](CO)[C@H](O)C1 1857717989 JPAALMJPHCXAIA-DGCLKSJQSA-N 282.340 0.426 0 50 CCAA C[C@H](O)CN1CCC(CN[C@@H]2C[C@@H](C)OC2=O)CC1 229446761 HWLQYKXTLMQJCE-DMDPSCGWSA-N 270.373 0.373 0 50 CCAA CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1cn[nH]c1 228895277 OHNRJHYHYHNJQT-GIPNMCIBSA-N 264.329 0.881 0 50 CCAA COc1cccc(C(=O)NCCN(C)C)c1OC 5013899 IJEQYBHFJROAAJ-UHFFFAOYSA-N 252.314 0.995 0 50 CCAA O=C(c1ccn2ncnc2c1)N1CCc2nocc2C1 1857680234 IPTBCQIIUACGEV-UHFFFAOYSA-N 269.264 0.916 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2C[C@H]3[C@H]4CC[C@H](N4)[C@H]3C2)CC[C@H]1O 1857688716 XYQYTABJUMNCTG-RBAROFTJSA-N 294.395 0.371 0 50 CCAA CCc1ncc(NC(=O)CN2CCCC[C@@H](O)C2=O)cn1 644403490 UILCXUMWCOBNSL-LLVKDONJSA-N 292.339 0.351 0 50 CCAA Cc1c([C@H]2[C@H](Nc3ncccn3)CC(=O)N2C)cnn1C 328612560 PDQPCRBANVCPGP-YPMHNXCESA-N 286.339 0.902 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2ccc(COC)o2)C1 643757503 NSHRFNFKYZOJIT-OAHLLOKOSA-N 296.367 0.889 0 50 CCAA CC[C@H]1C(=O)NCCCN1Cc1nnn(C(C)(C)C)n1 933231387 MUVSGNDFIKUYOB-JTQLQIEISA-N 280.376 0.529 0 50 CCAA CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)O)CCN1 1857778240 RCTFOATVBWSHCO-DTWKUNHWSA-N 258.318 0.964 0 50 CCAA O=C(c1cocn1)N1CCCN(c2ncccn2)CC1 1057106240 QGDNXOQXOWPASD-UHFFFAOYSA-N 273.296 0.817 0 50 CCAA O=S(=O)(N1CCCC1)N1CC[C@@H]2CCNC[C@@H]21 1875268558 YTLJISPUZRBSLR-QWRGUYRKSA-N 259.375 0.011 0 50 CCAA C[C@H]1CN(Cc2cn(C[C@@H]3CCC(=O)N3)nn2)C[C@@H](C)O1 887550158 KRLKDTRWUFRLFB-TUAOUCFPSA-N 293.371 0.166 0 50 CCAA CC(=O)NC[C@@H]1CN(Cc2cc(C)on2)CCCO1 888103773 YGYQZDIGVQINOD-CYBMUJFWSA-N 267.329 0.710 0 50 CCAA Cc1ncccc1CCNC(=O)[C@]12CNC[C@H]1CCOC2 1775770421 VENBUUWVRHCFIS-ZBFHGGJFSA-N 289.379 0.675 0 50 CCAA CCS(=O)(=O)c1ccccc1C(=O)N(C)[C@H]1CCNC1 179099896 UMEXDKGXQJRQJJ-NSHDSACASA-N 296.392 0.914 0 50 CCAA CC(C)c1nnc(CN2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)o1 72145664 XNLGWGXGFHBJBU-USZNOCQGSA-N 281.356 0.757 0 50 CCAA Cn1c(CN2CCN3CCOC[C@H]3C2)nnc1C1CC1 375243635 ZTVWNFDPLJMFJJ-GFCCVEGCSA-N 277.372 0.209 0 50 CCAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)c2cnncc2O)C1 2325869936 CCEMPFBVLIJIQF-SFYZADRCSA-N 265.269 0.365 0 50 CCAA NC(=O)CNC(=O)c1ccc(Br)cc1 401325 PBFAWYLUUYXNJN-UHFFFAOYSA-N 257.087 0.664 0 50 CCAA CNc1ncccc1C(=O)NC[C@H](O)c1cccc(O)n1 2356159702 NHNFHNQDQLLGSJ-NSHDSACASA-N 288.307 0.687 0 50 CCAA C[C@@H](O)CNC(=O)C(=O)NCc1ccc(Cl)cc1 2813982 IMCWUEVCUTZIEG-MRVPVSSYSA-N 270.716 0.453 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)Cn1cc(C)cn1)C2 2356164172 IGARPTUSTKOKOP-JSGCOSHPSA-N 279.340 0.313 0 50 CCAA CCCS(=O)(=O)N1CCN(c2ccccn2)CC1 7262827 NYMBVWUZYDVROA-UHFFFAOYSA-N 269.370 0.943 0 50 CCAA CS(=O)(=O)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100803343 SQEPXEYASAOAHF-AVGNSLFASA-N 270.398 0.776 0 50 CCAA C[C@H]1[C@@H](C)NCCN1C(=O)c1ccc(S(N)(=O)=O)cc1 423591723 CNCYOIWSYGDGFB-ZJUUUORDSA-N 297.380 0.156 0 50 CCAA Cn1ccn2ncc(C(=O)N3CC[C@@]4(CCCNC4)C3)c12 67743119 PEKANCZZYAOOFB-OAHLLOKOSA-N 287.367 0.889 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)C1=NN(C)C(=O)CC1 20204602 AIKYRIQGMTZAOW-SNVBAGLBSA-N 277.328 0.386 0 50 CCAA CCn1nc2c(cc1=O)CN([C@H]1C[C@@H](C)OC1=O)CC2 229832619 SBIWKYAUNJRBLV-SKDRFNHKSA-N 277.324 0.325 0 50 CCAA COC[C@H](O)CN1C(=O)C[C@@](C)(c2ccsc2)C1=O 328587089 VCANRBWOIHSTJB-MFKMUULPSA-N 283.349 0.772 0 50 CCAA CC[C@@H](C(=O)N1CC[C@](C)(NCC(=O)O)C1)N(CC)CC 328621725 ARBLAURKACKRLY-WFASDCNBSA-N 299.415 0.772 0 50 CCAA Cn1ccnc(N2CCC[C@H](N[C@@H]3CCSC3)C2)c1=O 328630975 JZNONEUUXXKLMQ-NWDGAFQWSA-N 294.424 0.844 0 50 CCAA CO[C@]1(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)CCOC1 329848048 NDVBBTUWHFJVMH-NZBPQXDJSA-N 299.367 0.587 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(C[C@@H]3CCCO3)C[C@H]2C)CC1 257366275 QETRANVCDIKPDR-VNQPRFMTSA-N 295.427 0.650 0 50 CCAA C[C@@H]1NCCC[C@@H]1NC(=O)N1CC[C@@H]2NCC[C@@H]2C1 333641199 IGXVKIQWGRMUAF-RNJOBUHISA-N 266.389 0.520 0 50 CCAA Cc1nnc(CNC(=O)[C@@H]2Cc3ccccc3O2)o1 216247199 OMFXTTKDNBYHKL-NSHDSACASA-N 259.265 0.998 0 50 CCAA CCC[C@@H](C)N1C[C@@H](C(=O)N(C)CCC(=O)O)CC1=O 262733095 CLHCSJHHCBTVSK-MNOVXSKESA-N 284.356 0.957 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CCO1 238198063 AGJQAZHPTRGKTD-SECBINFHSA-N 279.296 0.603 0 50 CCAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cn[nH]c2)CC1 214976082 FJGSOWQWAUJAAZ-LBPRGKRZSA-N 289.339 0.729 0 50 CCAA CN1C[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]nc2C2CC2)C1=O 285826042 FOIKKROOFZOLMO-ZYHUDNBSSA-N 288.351 0.980 0 50 CCAA CC1(C)[C@H]2CN(C(=O)CN3CSCC3=O)C[C@H]21 174099483 KUWXOBDUBVZJGN-DTORHVGOSA-N 254.355 0.634 0 50 CCAA CC[C@@H]1C(=O)NCCN1Cc1cccn(C(F)F)c1=O 606444837 BTVOONBLXCPENO-SNVBAGLBSA-N 285.294 0.954 0 50 CCAA CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O)Cc1ccccn1 426423218 ALDNKIYGUNSLNQ-IMRBUKKESA-N 289.335 0.302 0 50 CCAA CN(Cc1ncon1)C(=O)c1ccc2c(c1)OCC(=O)N2 426478853 GZEVDXDGUOTDTL-UHFFFAOYSA-N 288.263 0.673 0 50 CCAA COc1ccc(-c2ccc(NCCO)nn2)c(OC)n1 426589179 YJFHNXZSDZBJQJ-UHFFFAOYSA-N 276.296 0.960 0 50 CCAA C[C@@]1(C(=O)NCCCn2ccccc2=O)CCCO1 426429812 NFQTWFYZDOGYQN-AWEZNQCLSA-N 264.325 0.924 0 50 CCAA Cc1nsc(C)c1C(=O)NCc1nc(C(N)=O)co1 617487134 OXNDDLIHXKYCAW-UHFFFAOYSA-N 280.309 0.777 0 50 CCAA Cc1cc(C(F)(F)F)cc(=O)n1C[C@H](O)CO 95515147 SLLULOAZALIRLN-QMMMGPOBSA-N 251.204 0.529 0 50 CCAA CC(C)(C)N1C[C@H](C(=O)NCCCCCO)CC1=O 242944167 HDGDNYLRBBLJCX-LLVKDONJSA-N 270.373 0.912 0 50 CCAA Cc1cccc2nc(Cn3nc4cnccn4c3=O)cn12 181695378 GWSADFDOYNIENS-UHFFFAOYSA-N 280.291 0.895 0 50 CCAA Cn1cc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCc3nccn3C2)cn1 248134874 ODPBJRRSALEBSZ-AVGNSLFASA-N 285.351 0.851 0 50 CCAA Cc1ncoc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 252553265 VIVHQLBZQQOBCV-ADEWGFFLSA-N 290.323 0.959 0 50 CCAA O=C(c1cn2c(n1)COCC2)N1C[C@@H](O)Cc2ccccc21 626706983 OCVZMLXHPAPTNB-LBPRGKRZSA-N 299.330 0.977 0 50 CCAA CCCn1ccnc1CNC(=O)Cn1ccccc1=O 534634838 IYTMJTUXYFFQCF-UHFFFAOYSA-N 274.324 0.771 0 50 CCAA CCN(Cc1nc(C)no1)C[C@@H]1CC(=O)N(CCOC)C1 299801558 YMNYJZUOLZHQHW-LBPRGKRZSA-N 296.371 0.695 0 50 CCAA CC(C)OC[C@H](N)C(=O)Nc1ccc(N(C)C)nc1 662364602 JDIYIEZHOILGEQ-NSHDSACASA-N 266.345 0.838 0 50 CCAA O=C(NOC1CCC1)[C@@H]1CCCN1C(=O)C1CC1 1332505853 BVVIEYQWXNVXSM-NSHDSACASA-N 252.314 0.988 0 50 CCAA Cc1ccnn1CCC(=O)NCCN1CCCC[C@H]1CO 670452529 SBRWFTQDRBNIGI-AWEZNQCLSA-N 294.399 0.545 0 50 CCAA Cc1nnsc1C(=O)N1CCN(C(=O)C2CC2)C1 1339045053 HAVVAAMXQYQKNQ-UHFFFAOYSA-N 266.326 0.498 0 50 CCAA N=c1nn[nH]n1CC(=O)N1CC[C@@H]1c1ccc(F)cc1 952868068 XPLPHUJMOAFARM-SNVBAGLBSA-N 276.275 0.198 0 50 CCAA CC[C@H](NC(=O)c1ccc(C(N)=O)cc1)C(OC)OC 408514516 IIENPRVCRNWZFS-NSHDSACASA-N 280.324 0.913 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)Cc2ccsc2)C1 630252844 SWQYYZIPAXSXAY-GFCCVEGCSA-N 269.322 0.993 0 50 CCAA Cn1c(S)nnc1CNC(=O)COC1CCCC1 170623270 PAZFEKXSUURCDM-UHFFFAOYSA-N 270.358 0.679 0 50 CCAA CCc1c(C(=O)N[C@@H]2COC[C@H]2O)cnn1CCC(C)C 517219775 XZJNFULYBQZFFF-TZMCWYRMSA-N 295.383 0.981 0 50 CCAA O=C(Cn1c(=O)[nH]c2ccccc21)NC[C@@H]1CCNC1 273000915 HMKPFIHGQBIFSE-SNVBAGLBSA-N 274.324 0.055 0 50 CCAA Cc1noc2ncn(Cc3nc(C4CC4)nn3C)c(=O)c12 631017772 KTFKJCHUFJSVEX-UHFFFAOYSA-N 286.295 0.747 0 50 CCAA Cc1nc(N2CC[C@@H](Cc3cnn(C)c3)C2)[nH]c(=N)n1 631143314 RKUWALNDKBSQRR-JTQLQIEISA-N 273.344 0.395 0 50 CCAA O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cncnc2)C1 273821945 OQGDXPDYGAUCRP-GFCCVEGCSA-N 288.351 0.855 0 50 CCAA CCN(CC)CC(=O)N1CCN(C)[C@H](c2nccn2C)C1 275767152 XKQLEUJWFCSGIU-ZDUSSCGKSA-N 293.415 0.577 0 50 CCAA CC[C@@H]1CN(C[C@@H]2CCc3ncnn32)CCN1CCOC 639478805 RPPDCIUNPQXPFQ-KGLIPLIRSA-N 293.415 0.808 0 50 CCAA COC[C@]1(C(=O)O)CCCN(c2nnc(C)c(C)n2)C1 565542131 CJFQELIHFGXOHH-ZDUSSCGKSA-N 280.328 0.806 0 50 CCAA CN(C(=O)[C@H]1CCc2nnnn2CC1)c1cnn(C)c1 570520569 ZGBXCFWRYJFLKN-VIFPVBQESA-N 275.316 0.022 0 50 CCAA CCOc1ccc(N2CCN([C@@H](CC)C(=O)O)CC2)nn1 662230820 HKDUHIUANHCEFY-NSHDSACASA-N 294.355 0.861 0 50 CCAA Cc1nc(CC(=O)N2CCC([C@@H](O)CO)CC2)cs1 1772709365 JBAHCOYZRDKKEN-LBPRGKRZSA-N 284.381 0.586 0 50 CCAA O=C1CC[C@@H](C(=O)NCc2cccn3nccc23)N1 1772813713 PWHULDDLWHIXBV-JTQLQIEISA-N 258.281 0.229 0 50 CCAA CN(C)CCCC(=O)N1CCC[C@@H](CCNCC(N)=O)C1 1698678614 AJOXJLBPHBEHPY-ZDUSSCGKSA-N 298.431 0.032 0 50 CCAA C[C@H](Cn1cncn1)C(=O)N1CCC2(CC1)COC(=O)O2 1506428227 YIHTYRAHAYRCFU-SNVBAGLBSA-N 294.311 0.442 0 50 CCAA COCCn1nnnc1NC(=O)c1cnc(C)s1 906299441 MGGYOXWPGNUEBQ-UHFFFAOYSA-N 268.302 0.337 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCOCC3)n[nH]c21 1857529862 RZSOICPQBHRQNP-BDAKNGLRSA-N 265.313 0.904 0 50 CCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccccc2)C[C@H]1O 1529134174 NIDCWDKGQAEARF-UONOGXRCSA-N 298.408 0.371 0 50 CCAA O=C(CN1CCO[C@H](C2CCC2)C1)Nc1nncs1 334034888 NBNTZUXWKGBCOS-JTQLQIEISA-N 282.369 0.978 0 50 CCAA CCN(CC)S(=O)(=O)N1CCC[C@H](C)[C@H]1CN 249815378 JAQPQDHYXKRMHT-WDEREUQCSA-N 263.407 0.632 0 50 CCAA COc1cnc(N2CCOC3(CCN(C)CC3)C2)nc1 1772805342 LHCHBOWSOJLUQA-UHFFFAOYSA-N 278.356 0.786 0 50 CCAA NCC1CCN(c2cnn(Cc3ccncc3)c(=O)c2)CC1 19111730 OGRPMKLBYVZUHJ-UHFFFAOYSA-N 299.378 0.862 0 50 CCAA CN1C[C@]2(CCCN(c3cncc(N)n3)CC2)OC1=O 1857668123 DMUWWXYLYYGDDA-CYBMUJFWSA-N 277.328 0.870 0 50 CCAA Cc1nnc2n1C[C@@H](CNC(=O)c1cscn1)C2 1857687838 HRIKJSVXMGYPPH-MRVPVSSYSA-N 263.326 0.645 0 50 CCAA Cc1ccccc1OCC(=O)N1C[C@@H]2CC(=O)N[C@@H]2C1 1857692330 ZLRMZMXSPXMEKH-NWDGAFQWSA-N 274.320 0.721 0 50 CCAA Cc1[nH]nc2c1CN(C(=O)[C@H]1CCc3ncnn3C1)CC2 1857723226 WUNIQEQZSFPGPL-JTQLQIEISA-N 286.339 0.457 0 50 CCAA Cc1nc(C)c(C(=O)Nc2ccnc3ncnn23)o1 1875246411 FWYTYASTHQAEEH-UHFFFAOYSA-N 258.241 0.981 0 50 CCAA Cc1cc(=O)oc2cc(NC(=O)C[C@H](N)C(=O)O)ccc12 57176 ARZPQBJTLVVDNP-JTQLQIEISA-N 290.275 0.842 0 50 CCAA in-vitro C=CC(=O)N(CC)CC(=O)NCc1cnn(C)c1C 901229643 NGXBTOBTOVPBEW-UHFFFAOYSA-N 264.329 0.379 0 50 CCAA COc1cc(C)c(S(=O)(=O)NOCC(=O)O)cc1C 1875253798 VASQDIXKYCCIOE-UHFFFAOYSA-N 289.309 0.607 0 50 CCAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1)c1cccnc1 1875300538 HEPOCQBBSLGIFT-IUCAKERBSA-N 252.295 0.770 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCCOC(=O)C2CC2)CC1 1875365910 KXSIPOCBSHQMJS-UHFFFAOYSA-N 294.351 0.480 0 50 CCAA CC(C)n1cc(Cn2cc3c(n2)C[C@H](O)CC3)nn1 1875336983 MONXWEZVJJNOJT-GFCCVEGCSA-N 261.329 0.953 0 50 CCAA Cc1cc(OC(F)F)c(C(=O)NC[C@H](O)CN)s1 888096725 ODVCEWUFXRGYQU-ZCFIWIBFSA-N 280.296 0.707 0 50 CCAA OC[C@H]1COCCN1c1nc(C2CCOCC2)ns1 895933612 JSSITXXVWKTGPP-JTQLQIEISA-N 285.369 0.630 0 50 CCAA Cn1nnc(CN2CCC(OC[C@@H]3CCCO3)CC2)n1 194440188 BIQSDQYKKAONLZ-LBPRGKRZSA-N 281.360 0.370 0 50 CCAA Cc1ccc(OCC(=O)N[C@H](CO)[C@@H](C)O)cc1C 387630147 FCYBHPFAQNWBAQ-DGCLKSJQSA-N 267.325 0.540 0 50 CCAA CC1(C)C[C@H](O)CCN(C(=O)c2cc(N)n[nH]2)C1 395383732 KWUDHGFFZBEZMT-MRVPVSSYSA-N 252.318 0.615 0 50 CCAA O=C(NO[C@@H]1CCCCO1)C1(n2nccn2)CC1 2325789849 RXDMZXPAWZCNAJ-SECBINFHSA-N 252.274 0.342 0 50 CCAA C[C@H](C(=O)NCc1c[nH]ccc1=O)N1CCSCC1 2325800980 PGPPMJCBBUAICN-SNVBAGLBSA-N 281.381 0.428 0 50 CCAA COC(=O)[C@H](CCSC)NC(=O)C(F)(F)F 2169466 GRAAOQUKOGOXJR-YFKPBYRVSA-N 259.249 0.960 0 50 CCAA CCOC(=O)C(C[C@H](C)C(=O)OC)C(=O)OCC 2166417 POERXGUGCHUEOK-QMMMGPOBSA-N 260.286 0.928 0 50 CCAA CCOCCCNC(=O)C1CCN(S(C)(=O)=O)CC1 2499801 QQPXMMBXOFNIIM-UHFFFAOYSA-N 292.401 0.201 0 50 CCAA CC[C@@H](C)NC(=O)C(=O)NC[C@H]1COc2ccccc2O1 4185196 MGYIPNGCRNEGHP-MNOVXSKESA-N 292.335 0.857 0 50 CCAA CNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 6697198 VWQCVFXAGAIWLZ-UHFFFAOYSA-N 278.280 0.477 0 50 CCAA CC(C)(CO)NC(=O)c1ccccc1NCC(=O)O 55132522 WDYCDTDQRDJIOB-UHFFFAOYSA-N 266.297 0.684 0 50 CCAA CS(=O)(=O)[C@H]1CCC[C@@H]1NCCCn1cccn1 135726974 QWKWVGCYPFPUQS-RYUDHWBXSA-N 271.386 0.829 0 50 CCAA c1ccc([C@@H](Cn2cnnc2)N2CCOCC2)nc1 65422273 CJJYQRUGLOIVCE-CYBMUJFWSA-N 259.313 0.747 0 50 CCAA COc1cc(C)nc(NCCCS(C)(=O)=O)n1 122398556 MNPMPEPUMHBXHH-UHFFFAOYSA-N 259.331 0.640 0 50 CCAA COc1ccc(C(=O)NC[C@H]2CCn3ccnc3C2)nn1 328638837 WOMPJHXDIMORBQ-JTQLQIEISA-N 287.323 0.674 0 50 CCAA O=C(C1[C@@H]2CCC[C@@H]12)N1CCC[C@@](O)(Cn2ccnn2)C1 328931263 HUORTGWMMGOKTO-JMSVASOKSA-N 290.367 0.678 0 50 CCAA C[C@H]1CNCCN1C(=O)c1n[nH]c2ccccc2c1=O 126409684 VLUNHXIZDIFUMQ-VIFPVBQESA-N 272.308 0.357 0 50 CCAA CN(Cc1cnccn1)C(=O)[C@H]1NCCc2[nH]cnc21 72463847 UTQFDTQTNWYXAB-LBPRGKRZSA-N 272.312 0.045 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCc2ccnn2C)o1 215444718 PMDGVIUNTFWDAZ-UHFFFAOYSA-N 261.281 0.654 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cc(C)no2)[C@@H]2CCO[C@@H]21 219605994 CDDIHVROHIQGRP-QSFUFRPTSA-N 266.297 0.763 0 50 CCAA Cc1nc(N2CCOC[C@@H](CO)C2)c2c(C)noc2n1 77302685 MYKLXCRNPGRTII-SNVBAGLBSA-N 278.312 0.680 0 50 CCAA C[C@@H]1CC2(CCNCC2)CN1C(=O)CCn1ccnn1 333356983 CFHNTEIBOATZOO-GFCCVEGCSA-N 277.372 0.659 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)C(=O)O)c2ccccc21 368139496 SAIBGVDTKHDSBH-JTQLQIEISA-N 262.265 0.685 0 50 CCAA C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)O)ccc2O1 261696980 NOWKRZSMQLJLPO-QMMMGPOBSA-N 285.321 0.763 0 50 CCAA Nc1nc2c(c(C(=O)NCc3cccnc3N)n1)CCCC2 219452215 DSESJTUXIFCXPS-UHFFFAOYSA-N 298.350 0.845 0 50 CCAA O=C(NCCc1noc([C@@H]2CCCO2)n1)c1ccnnc1 219736928 XDOMMMNJKHGJBO-JTQLQIEISA-N 289.295 0.684 0 50 CCAA CCn1nccc1/C=C/C(=O)N1C[C@H](O)C2(CC2)C1 375286812 LYGKDOXAXLTWDS-PCAWENJQSA-N 261.325 0.900 0 50 CCAA CC(C)c1ccc(NC(=O)NC[C@H](O)C(N)=O)cc1 241588071 OZIXJZPXLVMXNN-NSHDSACASA-N 265.313 0.778 0 50 CCAA COC[C@@H](CO)NC(=O)c1ccc(-n2cccc2)nc1 242183902 XCWDZIZQMYLLSB-GFCCVEGCSA-N 275.308 0.609 0 50 CCAA CCCN(C(=O)c1cccnc1)[C@@H]1CC(=O)N(C)C1=O 283419644 FUOQRPKVOMLPDY-LLVKDONJSA-N 275.308 0.691 0 50 CCAA COc1nc(C)ccc1C(=O)N1CCOC[C@@H]1CC(=O)O 263268945 HXICXRPUHISHNQ-JTQLQIEISA-N 294.307 0.714 0 50 CCAA COC[C@H]1CN(C(=O)c2cn(C)cn2)CC(C)(C)O1 285682808 ZYTRLECTWDCICI-SNVBAGLBSA-N 267.329 0.686 0 50 CCAA Cn1cc([C@@H](NC(=O)C2(CO)CC2)C2CC(O)C2)cn1 223115255 VIBLLUBCNINMBL-NHNAUAITSA-N 279.340 0.121 0 50 CCAA CCOCC(C)(C)NC(=O)c1nnc2nc(C)ccn12 426722441 NDLAJNPIXUEYIC-UHFFFAOYSA-N 277.328 0.978 0 50 CCAA Cn1nc(C(=O)N2CCC[C@@]3(CCCO3)CC2)ccc1=O 97766352 OEFFAGFEIHRMRV-OAHLLOKOSA-N 291.351 0.956 0 50 CCAA O=C(CCCn1cncn1)NC1(C(=O)O)CCCC1 238076145 YMOWNTDOBIXDNZ-UHFFFAOYSA-N 266.301 0.572 0 50 CCAA Cc1c(C(=O)N2CCN(C)C3(CCNCC3)C2)cnn1C 97759167 RFQWLFMUVIAFEK-UHFFFAOYSA-N 291.399 0.238 0 50 CCAA C[C@@]1(O)CCN(C(=O)CSc2ccccn2)C[C@@H]1O 96153591 GKVVICNHVAOIGR-GXFFZTMASA-N 282.365 0.518 0 50 CCAA N[C@@H]1CCCN(S(=O)(=O)CCOc2ccccc2)C1 534669738 QNCQAMUNZMDVPC-GFCCVEGCSA-N 284.381 0.818 0 50 CCAA O=C(NCCn1ccnn1)[C@H]1CCCCN1C(=O)C1CC1 534635631 IKFDSROBIOXBRS-GFCCVEGCSA-N 291.355 0.185 0 50 CCAA CN(C[C@@H]1CCCN(CCO)C1)C(=O)CN1CCCC1 584898264 QKEZQTXWDVRPKX-AWEZNQCLSA-N 283.416 0.245 0 50 CCAA Cc1nonc1CN1C[C@@H]2CCC[C@H](C1)C(=O)N2C 670440195 ZOOIGRVVOBENCR-MNOVXSKESA-N 264.329 0.821 0 50 CCAA CN(CC1(CO)CCC1)S(=O)(=O)c1cccnc1 670443554 CCLPAETTZBBBKA-UHFFFAOYSA-N 270.354 0.865 0 50 CCAA Cc1nocc1Cn1cc(O[C@@H]2COC[C@@H]2N)cn1 685942329 IPEJYJNEPNVGBT-NWDGAFQWSA-N 264.285 0.333 0 50 CCAA CC[C@H](C(=O)O)N1CCC[C@@H](CS(=O)(=O)NC)C1 629507043 KSGAULHPEJTKQT-NXEZZACHSA-N 278.374 0.111 0 50 CCAA CC[C@H]1CN(C(=O)Cc2ccncc2)CCN1C[C@@H](C)O 272410993 OPLBWFJPBFFBEP-HIFRSBDPSA-N 291.395 0.928 0 50 CCAA Cc1noc(C)c1CCNC(=O)[C@H]1C[C@H](F)CN1 188535558 KPEHDSGVLONHHY-GXSJLCMTSA-N 255.293 0.650 0 50 CCAA OCc1ccnc(N2CCN(C[C@@H]3CCCO3)CC2)n1 681006414 ASGXMMIZWONWAP-ZDUSSCGKSA-N 278.356 0.270 0 50 CCAA O[C@]1(c2cnn[nH]2)CCCN(Cc2cncc(F)c2)C1 794009366 LZIJVRFYCMLYMM-CYBMUJFWSA-N 277.303 0.822 0 50 CCAA Cc1cc(COCC(=O)N[C@H]2CCNC23CCC3)no1 1614948077 SYORDDBOOSGDFO-LBPRGKRZSA-N 279.340 0.900 0 50 CCAA COC[C@H]1CC[C@H]1NC(=O)CNC(=O)NCc1ccco1 1615001016 JIVFXCZFDBSHHG-ZYHUDNBSSA-N 295.339 0.620 0 50 CCAA Cn1nnc(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)n1 1615604659 CTZDTDWUCWDZQT-SNVBAGLBSA-N 297.315 0.315 0 50 CCAA Cc1cc(C(=O)N2CCC([C@H](O)CO)CC2)no1 1772703719 DMVZXTBLGAWUOZ-LLVKDONJSA-N 254.286 0.188 0 50 CCAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2ccccc2)C[C@@H]1O 1616076418 NIDCWDKGQAEARF-KGLIPLIRSA-N 298.408 0.371 0 50 CCAA Cn1cc(C(=O)N2CCC[C@@H]2C2(O)CC2)ccc1=O 1772814603 JJKWSUMZNVHDKL-LLVKDONJSA-N 262.309 0.515 0 50 CCAA O=C(CN1CCO[C@@H](C2CCC2)C1)Nc1nncs1 334034889 NBNTZUXWKGBCOS-SNVBAGLBSA-N 282.369 0.978 0 50 CCAA CC(=O)N1CCN(C[C@@H]2CCC(=O)N(C)C2)CC1 1800409640 JAOTXHHFXAMXPV-GFCCVEGCSA-N 253.346 0.019 0 50 CCAA Cc1cc(C(=O)N(CCO)Cc2cncn2C)no1 1704311961 HATNGOVFXAQOKK-UHFFFAOYSA-N 264.285 0.351 0 50 CCAA O=C(CNC1CC1)N[C@H]1COC[C@H]1Cc1ccncc1 1704346973 DOBNUPDEZBVRLE-OCCSQVGLSA-N 275.352 0.507 0 50 CCAA COC(=O)[C@@H]1[C@H]2CN([C@@H]3CCOC4(CCNCC4)C3)C[C@H]21 1857680875 XGWJNIQRIVJXBJ-MQYQWHSLSA-N 294.395 0.638 0 50 CCAA Cc1ncc(N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)nc1C 1857692824 WCFOSBIXNUPASJ-SWLSCSKDSA-N 290.367 0.561 0 50 CCAA O=C(NCc1ccccc1)c1cn2c(n1)CCNCC2 1875245487 BTMJPZPBQMNFKI-UHFFFAOYSA-N 270.336 0.959 0 50 CCAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)c2ccncc2F)C1 331764225 AQRHRDAHNZAPRB-KCJUWKMLSA-N 291.286 0.941 0 50 CCAA Cn1cc([C@@]2(C)CN(C(=O)[C@](C)(N)C3CC3)CCO2)cn1 237710700 GQNNXBCRRZRAKS-HUUCEWRRSA-N 292.383 0.622 0 50 CCAA Cn1cc(CC(=O)N[C@H](Cc2ccncc2)C(=O)O)cn1 655600422 FYSHKVHDEAHAFI-GFCCVEGCSA-N 288.307 0.170 0 50 CCAA Cn1cc(CCC(=O)N2c3ccccc3C[C@H]2C(N)=O)cn1 155223110 NYSLLECICWURGH-AWEZNQCLSA-N 298.346 0.796 0 50 CCAA Cc1ncc(C(=O)N2CCOC[C@@H]2CC(=O)O)c(C)n1 263332434 VHDOLDWSGUBZFP-JTQLQIEISA-N 279.296 0.409 0 50 CCAA CCC[C@]1(C(=O)O)CCN(Cc2cnn(C)c2)C[C@H]1O 1704308149 GENPDCLFYBCEQD-OCCSQVGLSA-N 281.356 0.858 0 50 CCAA NC(=O)[C@@](O)(CN1CCOCC2(CC2)C1)c1ccccc1 851920101 UQQNPTGHXSICAQ-MRXNPFEDSA-N 290.363 0.472 0 50 CCAA CC1(C)CN(C(=O)[C@H](O)c2cnc[nH]2)C[C@]2(CCOC2)O1 867951608 PTKTYTYZYAXHOK-RISCZKNCSA-N 295.339 0.240 0 50 CCAA COc1cc(Cn2c(=O)ccn(C3CC3)c2=O)on1 1875280846 BOHAJXBULSICGJ-UHFFFAOYSA-N 263.253 0.390 0 50 CCAA C[C@@H]1c2cc(O)ccc2CCN1c1nc(=N)[nH]c(=N)[nH]1 1875268538 AZKFLAKZMHVXBR-SSDOTTSWSA-N 272.312 0.526 0 50 CCAA CCc1cccc(C(=O)N(C)Cc2nc(O)n[nH]2)n1 1875296389 UHDRVLUSXVZGMJ-UHFFFAOYSA-N 261.285 0.740 0 50 CCAA NC[C@H](O)CNC(=O)c1ccc(C(F)(F)F)[nH]1 1875293740 AQPVIJKOAHVCAF-YFKPBYRVSA-N 251.208 0.083 0 50 CCAA O=C1CCCC[C@@H](C(=O)OC[C@@H]2COC(=O)O2)N1 1875264184 RGZYKINFBJAIBH-SFYZADRCSA-N 257.242 0.124 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)Nc2nnn(C)c2C)C1=O 886078352 WZBIHADFWZNPIE-SNVBAGLBSA-N 295.343 0.090 0 50 CCAA CO[C@H]1CCCCN(CC(=O)Nc2nnn(C)c2C)C1=O 886078350 WZBIHADFWZNPIE-JTQLQIEISA-N 295.343 0.090 0 50 CCAA O=C([C@@H]1CCCN1)N1CCO[C@H]([C@@H]2CCCO2)C1 237942264 WEWQJSYRMCYPEE-SRVKXCTJSA-N 254.330 0.145 0 50 CCAA CCn1c(C2CCN(Cc3c[nH]cn3)CC2)n[nH]c1=O 67820368 SUGBMDJRGYITSA-UHFFFAOYSA-N 276.344 0.694 0 50 CCAA Cn1nnc(CN2CC[C@H](Oc3cccnc3)C2)n1 194448157 FPQKLZWEQWAPLM-NSHDSACASA-N 260.301 0.258 0 50 CCAA Cc1c(CSc2nnc(CN)n2C)cnn1C 426421166 MIBWNLVZVOGMEX-UHFFFAOYSA-N 252.347 0.608 0 50 CCAA O=C(NCCn1ccnn1)c1n[nH]c2c1CCCC2 534577615 IQSPQWRWMRDINR-UHFFFAOYSA-N 260.301 0.310 0 50 CCAA O=S(=O)(N1CCCCC1)N1CCC[C@@]2(CCNC2)C1 367887447 SGQMVKARXPTVNO-ZDUSSCGKSA-N 287.429 0.793 0 50 CCAA CC1(C)C[C@H](O)CCN(C(=O)Cc2cc[nH]n2)C1 395397564 RHIZHTRKAFTYBC-LLVKDONJSA-N 251.330 0.962 0 50 CCAA COc1cc(CNCc2nc(O)n[nH]2)ccc1F 952867273 LQWQWCOGHZHKRO-UHFFFAOYSA-N 252.249 0.948 0 50 CCAA COC(=O)[C@H]1CN(C(=O)C(=O)N(C)C)Cc2ccccc21 2325773919 ZGNQJMNFOZUIHO-LBPRGKRZSA-N 290.319 0.374 0 50 CCAA Cc1ccsc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1C(=O)O 2325790420 KHEOYAPCZUWNNL-JGVFFNPUSA-N 291.350 0.265 0 50 CCAA CC(C)N(CCc1nn[nH]n1)C(=O)[C@H]1CO[C@H](C)C1 2325808782 WPGYXMURGXMQJQ-NXEZZACHSA-N 267.333 0.404 0 50 CCAA O=C([C@@H]1CCC2(CCOCC2)NC1)N1CCN[C@@H]2C[C@H]21 2325827583 KOMLKZGBSCAFMQ-JHJVBQTASA-N 279.384 0.108 0 50 CCAA COC(=O)c1ccc2c(=O)n(NC(C)=O)c(S)nc2c1 2359823 JBHJWZDKMWGYMV-UHFFFAOYSA-N 293.304 0.562 0 50 CCAA O=c1cc(-c2nc(Cc3ccccc3)n[nH]2)[nH]c(=O)[nH]1 102333066 JRMJXMJYHCIYDE-UHFFFAOYSA-N 269.264 0.439 0 50 CCAA CN(C)c1ncccc1CN1C(=O)[C@H]2COCCN2C1=O 348839207 WMSLNZYCKYYDCS-LLVKDONJSA-N 290.323 0.311 0 50 CCAA CCc1c(C)nn(CCN2C[C@H](C(=O)O)CC2=O)c1C 65403838 BLCPHLNIJAGJLJ-LLVKDONJSA-N 279.340 0.995 0 50 CCAA CC(C)c1nc(-c2cc(=O)[nH]c(=O)[nH]2)n(-c2ccccn2)n1 67725779 ORLVQLXPBUBBPD-UHFFFAOYSA-N 298.306 0.829 0 50 CCAA CCOc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1 22606540 KTSHRVLTQXAHIC-UHFFFAOYSA-N 286.353 0.915 0 50 CCAA CC[C@@H]1CN(C(=O)C2(OC)CCNCC2)CCO1 150903119 NAVSMVZUQIMUDW-LLVKDONJSA-N 256.346 0.392 0 50 CCAA CC[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@@H]1N(C)C 229917296 RYWKUONYHYWLNA-MCIONIFRSA-N 284.400 0.981 0 50 CCAA Cc1nccn1[C@H](C)C(=O)N[C@@H]1CC(=O)N(C)C1 32580872 DENOICSLETVTPQ-PSASIEDQSA-N 250.302 0.099 0 50 CCAA CC(C)c1ncc(C(=O)OCCN2C(=O)CNC2=O)s1 253424633 IUNMQZSQCHRYQZ-UHFFFAOYSA-N 297.336 0.975 0 50 CCAA COC1(C(=O)NC[C@@H](O)c2ccccc2F)CCNCC1 151453741 YWFWITMUUQVVLG-CYBMUJFWSA-N 296.342 0.744 0 50 CCAA C[C@H]1C(=O)NCCN1C(=O)NC[C@H]1N(C)CCCC1(C)C 336482083 NSUCAXNJVKTWOH-NWDGAFQWSA-N 296.415 0.637 0 50 CCAA NC(=O)[C@@H]1CN(Cc2ccccc2C(=O)O)CCO1 216376509 RLPMZSPPFMLBQC-NSHDSACASA-N 264.281 0.071 0 50 CCAA COc1ccccc1[C@H]1CN(CCO)CCN1CCO 374533507 AJLRNDGFQCTRLX-CQSZACIVSA-N 280.368 0.339 0 50 CCAA CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1COc2ccccc2[C@H]1O 378143902 FJKLSMVAWMZOJP-JTNHKYCSSA-N 290.319 0.218 0 50 CCAA CCN(C(=O)CN(C)Cc1cccnc1)[C@H]1COC[C@@H]1O 223198245 MEJIISUYQIYFPI-KBPBESRZSA-N 293.367 0.122 0 50 CCAA C[C@@H](C(=O)NCCCc1nn[nH]n1)n1cc(Cl)cn1 426510610 JFJCFXWOLWBLKO-ZETCQYMHSA-N 283.723 0.360 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H](C(=O)O)C2)n1 178266257 MPXPJRGHDFFVFM-GHMZBOCLSA-N 265.313 0.994 0 50 CCAA CCN1CC[C@@]2(CCC1=O)CN(CCC(=O)O)CCN2C 95371340 ZMPUXRHLSSTDBW-HNNXBMFYSA-N 297.399 0.480 0 50 CCAA C[C@@]1(O)CCN(C(=O)Cc2ccc(O)c(F)c2)C[C@@H]1O 96153016 RCSLQDJZCRKNQX-GXTWGEPZSA-N 283.299 0.418 0 50 CCAA NC(=O)COc1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1 299749685 LHQYVTGWMPIEON-LLVKDONJSA-N 292.291 0.240 0 50 CCAA CCN(C)c1cc(Sc2nnc(CN)n2C)ncn1 534650011 QNBXPQRGYLVJSC-UHFFFAOYSA-N 279.373 0.671 0 50 CCAA COCCCC1CCN(C(=O)CNC(=O)N(C)C)CC1 584889174 NBYFXRDZQLSXHA-UHFFFAOYSA-N 285.388 0.923 0 50 CCAA COc1cc(C(=O)NCCN2CCC[C@H](CO)C2)ccn1 828711263 WDXXKETZCQCPTB-LBPRGKRZSA-N 293.367 0.524 0 50 CCAA COc1ccc2nc(CCNS(=O)(=O)N(C)C)[nH]c2c1 824757855 OIJQGZJXIJXZQJ-UHFFFAOYSA-N 298.368 0.510 0 50 CCAA CN1CC[C@](C)(CN(C)C(=O)c2cnc(N)s2)C1 584903120 ZUKSUMBEJMFFGF-LBPRGKRZSA-N 268.386 1.139 0 50 CCAA Cc1cc(C(=O)NCCc2nc(N)cc(O)n2)cnc1C 584893485 FUOYMRROJKZUPZ-UHFFFAOYSA-N 287.323 0.749 0 50 CCAA CN(C)C(=O)NCC(=O)NC1(CO)CCCCCC1 584896081 GWOOFVONRLDIHE-UHFFFAOYSA-N 271.361 0.459 0 50 CCAA Cc1ccc(S(=O)(=O)NCc2nc(N(C)C)no2)cc1 170599234 MGOOTFVFGAKDNU-UHFFFAOYSA-N 296.352 0.923 0 50 CCAA CC[C@H]1CC[C@H](C(=O)NCc2cnc(C)nc2N)O1 390832736 SYMRAOBBNUPAMG-WDEREUQCSA-N 264.329 0.941 0 50 CCAA COc1ccc(C)cc1C(=O)N[C@H]1CCOC[C@@H]1O 706718418 JTHGIEWJQYBSQO-RYUDHWBXSA-N 265.309 0.883 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1cnn(C)c1 643878546 XNUICQHHZKUADC-LBPRGKRZSA-N 253.302 0.486 0 50 CCAA CC(C)(Cc1ccc(O)cc1)C(=O)N1CC(O)(CO)C1 1615590384 LQDCDAFUYWSMMG-UHFFFAOYSA-N 279.336 0.527 0 50 CCAA Cc1noc([C@H](NC(=O)[C@H]2C[C@H]2C(=O)O)C(C)C)n1 1600805117 UDZMTXNCPZMHHU-DJLDLDEBSA-N 267.285 0.912 0 50 CCAA NC(=O)C1CN(C(=O)Cc2ccc(O)c(Cl)c2)C1 1520395319 JJYYKPMSDDFGMB-UHFFFAOYSA-N 268.700 0.532 0 50 CCAA CC[C@]1(O)CCN(CCCn2cc(C)cn2)C[C@@H]1O 213393260 LGTKOYBWSWHIDS-KBPBESRZSA-N 267.373 0.789 0 50 CCAA O=C1C[C@H]2NCC[C@H]2N1Cc1noc(-c2ccco2)n1 1800410547 VCEUIWLJZFUPJH-RKDXNWHRSA-N 274.280 0.792 0 50 CCAA Cc1nc([C@@H]2CCCN2C[C@@H](O)Cn2cccn2)no1 229298275 BYQWERLXCIHIIJ-NEPJUHHUSA-N 277.328 0.773 0 50 CCAA COC(C)(C)CC(=O)N1CCO[C@H](CC(=O)O)C1 230927299 LTWABUJAQPYCAL-SECBINFHSA-N 259.302 0.504 0 50 CCAA O=C(O)C[C@H]1CN(C(=O)COCC2CC2)CCO1 262772672 MMHQYTJOZZFQRI-JTQLQIEISA-N 257.286 0.115 0 50 CCAA Cc1nonc1CC(=O)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775979706 OGDYSPCZGLWHNJ-MYJAWHEDSA-N 251.286 0.150 0 50 CCAA Cc1nnc2n1C[C@H](CNC(=O)c1csc(N)n1)C2 1772707382 RJDYRSPGIBCQNE-ZETCQYMHSA-N 278.341 0.228 0 50 CCAA Cc1cc(CC(=O)N2CCS(=O)(=O)CC2)cc(C)n1 1775979977 QQLWFUSCTYGBOR-UHFFFAOYSA-N 282.365 0.498 0 50 CCAA CN1CCOC2(CCN(C(=O)[C@H]3[C@@H]4CC[C@H]3CN4)CC2)C1 1772806215 WEHKXYOWBYLZPW-MELADBBJSA-N 293.411 0.308 0 50 CCAA COCCN1CCC[C@@](O)(CNC2CCC2)C1=O 12193716 FXEWKMMXRZLTNA-CYBMUJFWSA-N 256.346 0.128 0 50 CCAA Cc1nc(CN2CCC(CS(N)(=O)=O)CC2)cn1C 1857673106 GNJAMWIABATPNW-UHFFFAOYSA-N 286.401 0.229 0 50 CCAA COC(=O)c1cncnc1N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857727750 ZICYUDJPEJCTDE-USWWRNFRSA-N 293.323 0.239 0 50 CCAA O=C(O)Cc1cccc(-c2nc(N3CCNCC3)n[nH]2)c1 1875249527 ZBJPTSKEVFMLOL-UHFFFAOYSA-N 287.323 0.508 0 50 CCAA Cc1occc1C(=O)N1CCC[C@](O)(Cn2ccnn2)C1 331379513 IIINQZJTOAHVDU-CQSZACIVSA-N 290.323 0.847 0 50 CCAA CC(C)CNC1(CO)CCN(C(=O)c2cc[nH]n2)CC1 912592320 NRXMXWKTQQLKJC-UHFFFAOYSA-N 280.372 0.622 0 50 CCAA CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccoc2)C1 823832127 KKOONDHIYGTBLR-WPRPVWTQSA-N 280.280 0.331 0 50 CCAA N=c1nc(N2CCN(c3ncc(F)cn3)CC2)cc[nH]1 1875275839 XRBFZYDSPBPFIQ-UHFFFAOYSA-N 275.291 0.145 0 50 CCAA Cc1nnc([C@H]2COCCN2CCOC2CC2)o1 1875271413 HASSIHDMUIMRBH-LLVKDONJSA-N 253.302 0.930 0 50 CCAA Cc1cc(C(=O)O)ccc1C(=O)N[C@]1(CCO)CCOC1 1875277607 UBZRFPOOALSPSF-OAHLLOKOSA-N 293.319 0.965 0 50 CCAA CN(C)c1cccc(C(=O)NC[C@]2(O)CCSC2)n1 1875293608 WNYJGTVWLGUYEW-CYBMUJFWSA-N 281.381 0.745 0 50 CCAA NC(=O)C[C@@H]1CN(C(=O)c2ccc3ccoc3c2)C[C@H]1O 1875402807 LZVPYTPGGGKSFU-VXGBXAGGSA-N 288.303 0.741 0 50 CCAA O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1 19881643 DKONCPVCBHSGAT-GFCCVEGCSA-N 277.299 0.363 0 50 CCAA C=CC(=O)N[C@H]1CCC(=O)N[C@H]1c1ccnn1CC 1776007306 UEZHZUHMSVLLEF-TVQRCGJNSA-N 262.313 0.525 0 50 CCAA O[C@@H](Cn1cc2ccncc2n1)C1(O)CCOCC1 899879118 BFEDXBHVTJOROC-LBPRGKRZSA-N 263.297 0.334 0 50 CCAA Cc1cccc(C(=O)NCC(=O)NCC(F)F)c1O 280628557 XDQQRCKKHNNRNV-UHFFFAOYSA-N 272.251 0.812 0 50 CCAA COCc1cccc(CN2CCC[C@@](O)(C(N)=O)C2)c1 284918126 SXVCHVATRBJSPY-HNNXBMFYSA-N 278.352 0.645 0 50 CCAA COC(=O)c1cccnc1NC[C@@H]1CNCCOC1 72172599 KXXQSSXPIYGKGH-JTQLQIEISA-N 265.313 0.516 0 50 CCAA Cn1ncc2c(=O)n(C[C@@H](O)C(F)(F)F)cnc21 330367145 OADYQHYDWBOJMK-ZCFIWIBFSA-N 262.191 0.053 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccon1 692323806 QWABALXNWRDQBV-LLVKDONJSA-N 254.242 0.380 0 50 CCAA Cn1ccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)n1 864279629 GBBNSHDOHWIAET-JTQLQIEISA-N 281.312 0.277 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1ccc(C(=O)O)cc1 426431442 WHERODNRVCUOEV-QWRGUYRKSA-N 265.265 0.528 0 50 CCAA NC[C@]1(F)C[C@H](C(=O)N2CCCC[C@@H]2Cn2ccnn2)C1 2325779215 ONAVVOJAFUFCOF-YRGRVCCFSA-N 295.362 0.736 0 50 CCAA COc1ccc(CC(=O)N[C@@H]2CCO[C@@H]2C(N)=O)c(C)c1 2325791260 HUWNSNHRQMEBAA-OCCSQVGLSA-N 292.335 0.305 0 50 CCAA C[C@@H](CO)N(C)C(=O)C[C@@H]1NC(=O)c2ccccc21 897258654 GEVDSJLZTZWEQU-CABZTGNLSA-N 262.309 0.700 0 50 CCAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@H]1C(C)C 2223763 IRACCIZVXUKPDN-QWRGUYRKSA-N 297.355 0.008 0 50 CCAA CCCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10433998 VWXPTCCQKGTLEP-UHFFFAOYSA-N 277.390 0.031 0 50 CCAA Cn1nnnc1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 225501286 UAALGZHJGULPKF-CABZTGNLSA-N 295.293 0.796 0 50 CCAA COCCN(c1cc(C)nc2ncnn12)[C@@H]1CCOC1 225607341 RMOUAIBDYKPTNE-LLVKDONJSA-N 277.328 0.674 0 50 CCAA O=C(/C=C/c1cccs1)NC(=S)NN1CCOCC1 23634584 VGXZHCXKTPHKEX-ONEGZZNKSA-N 297.405 0.999 0 50 CCAA NC(=O)C1(O)CCN(C(=O)COc2ccccc2F)CC1 315037274 HPVIXZSPUUHITL-UHFFFAOYSA-N 296.298 0.043 0 50 CCAA CCOC(=O)[C@H](CC)Sc1nnc(CO)n1C 252494805 OFJCDMNPTXWXHD-ZETCQYMHSA-N 259.331 0.741 0 50 CCAA N[C@@H]1CCCCC[C@H]1NCCCN1CCNCC1 331922940 CIFZCXJXFLZFKQ-ZIAGYGMSSA-N 254.422 0.531 0 50 CCAA CCCC(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CCN=C1O 328887206 OMDIGLXDUNKTSL-VHSXEESVSA-N 299.396 0.875 0 50 CCAA O=C1CCCN1[C@@H]1CCCN(CCn2cc[nH]c2=O)C1 71714480 IGFXKTBEDHWBDC-GFCCVEGCSA-N 278.356 0.263 0 50 CCAA CN1CCN2CCN(C(=O)c3ccc(CO)cc3)C[C@@H]2C1 218953578 NJQUMOXDXPTSMZ-HNNXBMFYSA-N 289.379 0.251 0 50 CCAA COC[C@H]1CCCCN(C(=O)C2CN(C(C)=O)C2)C1 373763948 YQASTDNWUGKQNE-LBPRGKRZSA-N 268.357 0.740 0 50 CCAA NC(=O)c1csc(N2CCC[C@]3(CC2)CNC(=O)O3)n1 72147476 SJFHVGOIYOHKJC-LBPRGKRZSA-N 296.352 0.711 0 50 CCAA CCNC(=O)CN1CCN(Cc2ccnc(CC)n2)CC1 215435740 AGIQOIWDAZMXST-UHFFFAOYSA-N 291.399 0.293 0 50 CCAA O=C1CCCN1CC(=O)N1CCC[C@@H](N2CCCC2)C1 336167201 VIPNPOUKUBRRDW-CYBMUJFWSA-N 279.384 0.696 0 50 CCAA O[C@]1(c2c[nH]nn2)CCN(CCc2cccnc2)C1 284523498 DSMKTTFVEDQCOB-CYBMUJFWSA-N 259.313 0.336 0 50 CCAA C[C@H]1CCCC[C@@H]1N1CN=C(NS(C)(=O)=O)NC1 40387210 WADAEYJORKFURI-UWVGGRQHSA-N 274.390 0.291 0 50 CCAA CCn1cc(S(=O)(=O)N2CCOCC(F)(F)C2)cn1 288352891 IZMSHDBBANEZTE-UHFFFAOYSA-N 295.311 0.559 0 50 CCAA O=C(CO)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 91873292 NFGZGGXLIBBRNN-HNNXBMFYSA-N 280.368 0.620 0 50 CCAA CNC[C@@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1 237099496 GKIDDSOJNXWHEN-NSHDSACASA-N 263.345 0.366 0 50 CCAA COC[C@]1(O)CCN(C(=O)c2c[nH]c(=O)cn2)CC1(C)C 91997790 DDPWRQJFZUKZGN-CQSZACIVSA-N 295.339 0.020 0 50 CCAA CCc1c(C)cc(C(=O)NC[C@H](C)N)c(=O)n1C 97674310 YZEKKUDVYRSJNM-VIFPVBQESA-N 251.330 0.333 0 50 CCAA CCOCC(=O)N1C[C@@H](CO)C[C@H](CN2CCCC2)C1 92065509 PDWGQBHYVKUCOU-KGLIPLIRSA-N 284.400 0.576 0 50 CCAA CCC[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C(=O)O 91713542 AWVLNFVYVWIONV-GHMZBOCLSA-N 280.328 0.628 0 50 CCAA O=C(CCn1cnnn1)N1CCOC2(CCCC2)C1 244633552 GEVPNNOMPSQHBN-UHFFFAOYSA-N 265.317 0.235 0 50 CCAA Cc1cnc(C)c(N2CCN(C[C@@H]3COCCO3)CC2)n1 252488405 IRHZYDKKHAIFQR-CQSZACIVSA-N 292.383 0.631 0 50 CCAA Cc1ccn2cc(C(=O)NC3(C(=O)O)CC3)nc2c1 263138279 IQSAYVDGAHOLDN-UHFFFAOYSA-N 259.265 0.990 0 50 CCAA CCn1cc(S(=O)(=O)NCCn2cnc(C)c2C)cn1 823603596 VBZUWUWWHANCBT-UHFFFAOYSA-N 297.384 0.695 0 50 CCAA NC(=O)CN1CCC[C@@H](C(=O)N2CCC3(CCCC3)C2)C1 826838674 ASHNPBOUAIIWGD-CYBMUJFWSA-N 293.411 0.976 0 50 CCAA CN1CCCNC(=O)C12CCN([C@@H]1CCOC1)CC2 823778345 GTMKRESCCFRYMU-GFCCVEGCSA-N 267.373 0.062 0 50 CCAA CN(CCn1cnc2cccc(F)c2c1=O)S(C)(=O)=O 584899507 MCEGRDDFMSJOCL-UHFFFAOYSA-N 299.327 0.427 0 50 CCAA CC1(C)CC(CC(=O)NCC[C@H](O)CO)CC(C)(C)N1 584890589 QKYLZGUDCFGJDG-LBPRGKRZSA-N 286.416 0.793 0 50 CCAA CN1CC2(CCN(CCc3nccn3C)CC2)OCC1=O 670471758 RQIDJKMBFJTYJL-UHFFFAOYSA-N 292.383 0.286 0 50 CCAA CC(C)Cn1cncc1CNC(=O)N[C@H]1CCNC1 670438670 AGMLOUVVEFTOIY-NSHDSACASA-N 265.361 0.700 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CN1CCC(C)CC1 670435308 SYGARALCTPKBSM-GJZGRUSLSA-N 297.443 0.942 0 50 CCAA Cc1ccoc1-c1nc(CC(N)=O)nn1CC(C)(C)O 670460155 ZVJSIAQKIBPWLD-UHFFFAOYSA-N 278.312 0.645 0 50 CCAA CN1Cc2ccccc2C[C@@H]1CN(C)S(C)(=O)=O 952971710 TWUQVCICJLFPOQ-CYBMUJFWSA-N 268.382 0.935 0 50 CCAA COCCc1noc([C@@H](C)NC(=O)C2=C(C)OCCO2)n1 952987022 IMDKPIFUIQKZFQ-MRVPVSSYSA-N 297.311 0.714 0 50 CCAA C[C@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)CC1CC1 408438104 FNSATCCLICBDLM-NSHDSACASA-N 290.429 0.503 0 50 CCAA COC[C@@]1(C)NC(=O)N(CCO[C@H]2CCCCO2)C1=O 170616329 RIEFIKKHKJCIHR-GXFFZTMASA-N 286.328 0.487 0 50 CCAA CN1CCN(C(=O)c2ccncc2)C[C@@H]1c1nccn1C 276788256 VHXJKMKULGJZRC-CYBMUJFWSA-N 285.351 0.944 0 50 CCAA COc1cccc([C@H](C(=O)O)N2CCn3ncnc3C2)c1 634690714 RGGCEXWDECIRFR-CYBMUJFWSA-N 288.307 0.928 0 50 CCAA Cc1ccnc(CN2CCO[C@@H](Cn3ccnn3)C2)c1 639855749 PXFORRWCDABUME-CQSZACIVSA-N 273.340 0.883 0 50 CCAA CNC(=O)[C@@H]1CCC[C@H]1N=c1ccn2nccc2[nH]1 585092789 NYKGOWVBBBQUTN-NXEZZACHSA-N 259.313 0.478 0 50 CCAA CC1=C(C)C(=O)N(CCC(=O)N[C@H](CCO)C(C)C)C1=O 585129620 PRECZGRJLOGAJP-GFCCVEGCSA-N 296.367 0.605 0 50 CCAA C[C@@H](Cc1nn[nH]n1)NC(=O)C1CCSCC1 736086682 NQOXRNGVNWGMSE-ZETCQYMHSA-N 255.347 0.390 0 50 CCAA O=C(c1cn[nH]c1)N1CCC[C@H](N2CCCC2=O)C1 215015584 WFUPCUQVGXSWOE-NSHDSACASA-N 262.313 0.637 0 50 CCAA CC(=O)NCC1CCN(C(=O)[C@@]2(C)CC(C)=NO2)CC1 1506409337 GPPMMMUWTHRVKP-CQSZACIVSA-N 281.356 0.916 0 50 CCAA CC1=C(C(=O)NC[C@H](CO)Cc2ccco2)OCCO1 1506397805 YNCNOFSNJPTVDO-LLVKDONJSA-N 281.308 0.825 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3COC3)nn(C)c21 1857529588 AYKPQFHGETWUSX-SFYZADRCSA-N 265.313 0.571 0 50 CCAA CCOc1ncccc1C(=O)N1CC[C@@H]2CNC[C@@H]21 213069700 KALFBVOFADARES-PWSUYJOCSA-N 261.325 0.914 0 50 CCAA COc1nc(N(C)Cc2cnn(C)c2)ncc1F 1704336922 MOLJVIHROWLNHB-UHFFFAOYSA-N 251.265 0.994 0 50 CCAA Cc1cccc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)n1 1704329665 ACAYNYXRODFOMK-OKILXGFUSA-N 276.292 0.751 0 50 CCAA Nc1c(C=O)c(=O)[nH]c(=O)n1-c1ccc(Cl)cc1 8733321 HGPDFCPJGNYKIW-UHFFFAOYSA-N 265.656 0.574 0 50 CCAA in-vitro CN1C[C@@H](NC(=O)NC[C@H]2CCC(C)(C)O2)CC1=O 336090564 UNQBTPISCVWLDX-VHSXEESVSA-N 269.345 0.474 0 50 CCAA Nc1ccn(CC(=O)OCc2ccccc2)c(=O)n1 140269461 GHSMNPUUFLPTTG-UHFFFAOYSA-N 259.265 0.569 0 50 CCAA COc1ncc(Cl)c(N2CCN3CCOC[C@@H]3C2)n1 371808717 KHDXORXDGBXMLO-VIFPVBQESA-N 284.747 0.659 0 50 CCAA COC1(C(=O)NCc2[nH]nc3ncccc23)CCNCC1 1772805655 OHMBSFDQVIQAID-UHFFFAOYSA-N 289.339 0.343 0 50 CCAA Cc1ccc(C(=O)NC(=O)CSc2n[nH]c(N)n2)cc1 5615240 NOEIIZYFMFWRDR-UHFFFAOYSA-N 291.336 0.744 0 50 CCAA O=c1[nH]/c(=C\c2ccccc2)c(=O)[nH]/c1=C\c1ccccc1 13890120 RFSUEJIDSYCCLL-NFLUSIDLSA-N 290.322 0.721 0 50 CCAA in-vitro COc1ccc(CCCNC(=O)[C@H]2C[C@H](N)[C@@H](O)C2)cc1 1857710075 GPIBKUMMKIPXQF-QEJZJMRPSA-N 292.379 0.842 0 50 CCAA O=C(N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1cnccn1 1857738927 FFHINQDTRIIRGN-MBNYWOFBSA-N 288.351 0.458 0 50 CCAA CC[C@H](NC(=O)CCn1cnc2c(N)ncnc21)[C@@H](C)O 615859400 HCWOZSCRJKYCEQ-BDAKNGLRSA-N 292.343 0.074 0 50 CCAA Cc1cc(NCCNC(=O)C(F)F)n2ncnc2n1 225626716 RXPNKQUEMQYHPD-UHFFFAOYSA-N 270.243 0.226 0 50 CCAA O=C(O)c1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1 15223341 KABYJTOTRSDYPC-YFHOEESVSA-N 274.301 0.070 0 50 CCAA O=C(NCCN1CCOCC1)C(=O)Nc1cccc(F)c1 19831569 NHTOTFCRCMFLJE-UHFFFAOYSA-N 295.314 0.213 0 50 CCAA COCc1noc(CN2C[C@H](CO)Oc3ccccc32)n1 371526226 QBQZOCBRCGCKTM-SNVBAGLBSA-N 291.307 0.976 0 50 CCAA CCNCC1CCC(C(=O)N[C@@H](C)C(=O)O)CC1 1875272303 ZXKCYHNZKYVELU-WHXUTIOJSA-N 256.346 0.992 0 50 CCAA CCn1cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)O)nn1 1775994099 SYDCTVXDBNQTIR-JTQLQIEISA-N 268.317 0.869 0 50 CCAA C[C@@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1C)[C@@H]1C[C@H]2CC[C@H]1C2 1775985182 XFRUIFKUJXGGGI-HTOHHLTDSA-N 294.395 0.765 0 50 CCAA CN(C)c1n[nH]c(-c2cccc(S(C)(=O)=O)c2)n1 1775987471 DPZIIJYRCWVRDV-UHFFFAOYSA-N 266.326 0.941 0 50 CCAA NC(=O)C[C@H]1CCCCN1C(=O)CC1(N)CCC1 237892572 QUDPFAFHWNFIBM-SNVBAGLBSA-N 253.346 0.514 0 50 CCAA O=C(C1CCNCC1)N1CCN(CC(F)(F)F)CC1 40835261 WJLDVFIBWONWJP-UHFFFAOYSA-N 279.306 0.693 0 50 CCAA Cc1ccc(F)cc1C(=O)N[C@@H]1CCNC[C@H]1O 77286664 VTXBDUBJXACZPN-VXGBXAGGSA-N 252.289 0.587 0 50 CCAA COCC[C@@H]1CN(S(=O)(=O)C(C)C)CCO1 824384120 KVIHEGXWVDILBK-SNVBAGLBSA-N 251.348 0.462 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 630155039 FEJMODQANNXDKY-CWSCBRNRSA-N 253.298 0.879 0 50 CCAA O=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 257552 YCAZLVRLLIGVAA-UHFFFAOYSA-N 289.284 0.545 0 50 CCAA Cn1c(=O)c2cc(Br)ccc2n(C)c1=O 1431546 FGSNYLHKLUUNQB-UHFFFAOYSA-N 269.098 1.000 0 50 CCAA O=C(CCn1cnnn1)N1CC2(COc3ccccc3C2)C1 2356137392 WVJQXQFDDOSVGF-UHFFFAOYSA-N 299.334 0.527 0 50 CCAA NC(=O)c1ccc(-c2nnn(CCOCC(F)F)n2)cc1 225439191 YZJCUXLOQXNECR-UHFFFAOYSA-N 297.265 0.721 0 50 CCAA CN(C)C1(CNC(=O)CCCn2cccn2)CCOCC1 112624511 HMOCLDLXPMWGHV-UHFFFAOYSA-N 294.399 0.890 0 50 CCAA Nc1nc(N)c2nc(-c3cccc(O)c3)cnc2n1 28711056 UOORQSPLBHUQDQ-UHFFFAOYSA-N 254.253 0.957 0 50 CCAA in-vitro CCn1c(CC2CCN(C[C@@H]3CCOC3)CC2)n[nH]c1=O 65526652 GEGPTLRHFDVJJB-ZDUSSCGKSA-N 294.399 0.882 0 50 CCAA O=C(NC[C@]1(CCO)CCOC1)c1cccnc1S 119004702 ZGNFEODGWPYUPR-ZDUSSCGKSA-N 282.365 0.889 0 50 CCAA CN(Cc1cnn(C)c1)Cc1cn(C2CCNCC2)nn1 23153526 AAENCDCZTCGMCF-UHFFFAOYSA-N 289.387 0.568 0 50 CCAA O=C(Cc1cccnc1)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076096063 KTLGZTJLANABGC-KGLIPLIRSA-N 299.334 0.588 0 50 CCAA CC[C@@H](C)[C@@H](O)CNC(=O)c1cc(C(=O)OC)on1 252484101 FOVIFQBJCYPTOM-APPZFPTMSA-N 270.285 0.598 0 50 CCAA N=C(O)[C@H](c1ccccc1)N1CCN2C(=O)NC(=O)[C@H]2C1 332576890 GRPHMTWUSQMAKG-MNOVXSKESA-N 288.307 0.499 0 50 CCAA C[C@@H]1C[C@@H](C(=O)Nc2ccc(-n3nnnc3O)cc2)CO1 329316703 HQRWSVTYFFCPLY-RKDXNWHRSA-N 289.295 0.731 0 50 CCAA O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1cn[nH]c1 215834739 SJYKHWAFDJAZDD-NSHDSACASA-N 286.339 0.846 0 50 CCAA Cc1ccc(CC(=O)N[C@H]2C[C@@H](C(=O)O)N(C)C2)cc1 219912271 BGEGNTNDTUUTDJ-STQMWFEESA-N 276.336 0.811 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccoc2C2CC2)C1 284696614 XEORMRMWHBSHJK-ONGXEEELSA-N 278.308 0.872 0 50 CCAA C[C@H](Cn1cccn1)C(=O)NCCN1CCCC1=O 219126241 FELNPIIXBHRQBJ-LLVKDONJSA-N 264.329 0.258 0 50 CCAA Cc1cc(N)n(CC(=O)N(C)Cc2nc(C3CC3)no2)n1 219012089 JAVMBDDJJHVJQN-UHFFFAOYSA-N 290.327 0.693 0 50 CCAA CC(C)[C@](O)(C(=O)O[C@@H]1CCN2CCC[C@H]12)[C@H](C)O 43161945 JMQIGMSZSFQWEH-FMCLSXCISA-N 271.357 0.534 0 50 CCAA C[C@@H]1CN(c2ncncc2Br)C[C@H]1C(N)=O 284568236 IOHPIBOUMHJWQR-RNFRBKRXSA-N 285.145 0.797 0 50 CCAA C[C@H]1CCO[C@H]1C(=O)NCCc1nnc(S)n1C 160179680 UQXSOZLMOYTDMF-IONNQARKSA-N 270.358 0.188 0 50 CCAA COc1ccccc1CS(=O)(=O)[C@@H]1CCNC1 40449876 IPYADHMTWMUGFC-LLVKDONJSA-N 255.339 0.972 0 50 CCAA CCN(CCN(C)C)c1cc([C@H]2CCOC2)nc(N)n1 426438697 MRMVUQRRLUUDFH-NSHDSACASA-N 279.388 0.951 0 50 CCAA COCC1(CNC(=O)[C@@H](C)CN2CCOCC2)CCC1 337654651 NBFSAFNYEHZQGC-ZDUSSCGKSA-N 284.400 0.888 0 50 CCAA COc1ccc(CCN2C(=O)COC[C@H]2O)cc1OC 334162956 JBYNVBNPTXJPEX-CYBMUJFWSA-N 281.308 0.424 0 50 CCAA Cn1nc(I)c2c(N)ncnc21 95644252 XDRBSXBQEOQZKM-UHFFFAOYSA-N 275.053 0.550 0 50 CCAA c1ccc(CCc2cn(CCN3CCNCC3)nn2)cc1 95357016 DQLNBAAWVRIQIY-UHFFFAOYSA-N 285.395 0.969 0 50 CCAA CNC(=O)C[C@@H](C)N(C)Cc1nc(CSC)no1 244874840 XIDPOGPHWUESPD-MRVPVSSYSA-N 272.374 0.889 0 50 CCAA CC(C)[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1)c1cccnc1 299752960 WETIBPYRDLLQED-IHRRRGAJSA-N 277.368 0.660 0 50 CCAA CC(C)C(=O)N1CCC[C@H](NS(=O)(=O)N(C)C)C1 534673439 FUNDHPCDXUVYLG-JTQLQIEISA-N 277.390 0.029 0 50 CCAA CCc1cc(C(=O)N[C@H]2CN(C)C[C@@H]2OC)cc(O)n1 534676169 FFXYBXHWPGKZTA-RYUDHWBXSA-N 279.340 0.408 0 50 CCAA CCO[C@H]1COC[C@@H]1Nc1ncc(F)c(N(C)C)n1 534586735 UQIVGGAMDNFRBV-UWVGGRQHSA-N 270.308 0.898 0 50 CCAA O=C(NCCS(=O)(=O)N1CCCC1)Nc1cccnc1 299777989 RFYDXKUVTTTXMW-UHFFFAOYSA-N 298.368 0.629 0 50 CCAA O=C1N[C@H](c2ccc(O)cc2)C(=O)N2CCCC[C@H]12 828317526 DWXBWUYGNAMEGG-VXGBXAGGSA-N 260.293 0.944 0 50 CCAA Cn1cc(S(=O)(=O)NCCc2nc(C3CC3)no2)cn1 825658348 NBHJUDMLLWLLCA-UHFFFAOYSA-N 297.340 0.202 0 50 CCAA COCC1(CNC(=O)CN2CCCN(C)CC2)CCC1 584892391 AWYYHTGPEKHRPS-UHFFFAOYSA-N 283.416 0.557 0 50 CCAA O=C(Cn1nc2ccccc2n1)N1C[C@H]2CCN[C@H]2C1 1565512690 DVBGGZTVBSARPT-MFKMUULPSA-N 271.324 0.252 0 50 CCAA CC1(C)C(C)(C)C1(C(=O)O)C(=O)N[C@@H]1CCNC(=O)CC1 1589204448 BWIPDZUSIMGBHZ-VIFPVBQESA-N 296.367 0.908 0 50 CCAA CC1(C)COC(=O)[C@@H]1OC(=O)c1cnn2ccncc12 170609465 XQNAPUYXFRQFDL-JTQLQIEISA-N 275.264 0.838 0 50 CCAA NC(=O)[C@H]1CCC[C@H](C(=O)NS(=O)(=O)C2CCC2)C1 408480517 CXBVOHRBEKGIJE-IUCAKERBSA-N 288.369 0.277 0 50 CCAA COc1ccccc1S(=O)(=O)NC1CC(C(=O)O)C1 703584774 KZAXOAHBAPFCRU-UHFFFAOYSA-N 285.321 0.837 0 50 CCAA NC(=O)c1cn([C@@H]2CCN(Cc3cccc(F)c3)C2)nn1 643787740 GBXOIVITCPQLMJ-GFCCVEGCSA-N 289.314 0.963 0 50 CCAA Cn1cc([C@H]2N(C(=O)c3ncn(C)n3)CC2(C)C)cn1 579132725 JRYWCYXOGMKVCL-SNVBAGLBSA-N 274.328 0.772 0 50 CCAA CC(C)c1[nH]nc(C(N)=O)c1NC(=O)Cc1ccn(C)n1 579112453 KUQVKMCKWDHCCB-UHFFFAOYSA-N 290.327 0.547 0 50 CCAA C[C@@H](CNC(=O)c1cnn2c1CCC2)N1CCCCC1=O 579674530 XBFKJAJJQPPBQG-NSHDSACASA-N 290.367 0.960 0 50 CCAA CC(C)n1cc(NC(=O)c2ccc3c(c2)B(O)OC3)cn1 585009478 YMKPQNGLQNDQOT-UHFFFAOYSA-N 285.112 0.934 0 50 CCAA CC[C@H]1C(=O)NCCN1CC(C)(C)N1CCOCC1 585117467 FGBHJDNQWRTKPM-LBPRGKRZSA-N 269.389 0.308 0 50 CCAA CN(C)C[C@]1(O)CCCN(Cc2nnnn2C(C)(C)C)C1 585116225 MEHDVAZJYMRHHD-CQSZACIVSA-N 296.419 0.317 0 50 CCAA Cc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](O)[C@@H](O)C1 867825238 VDBYZGJXGPOLHB-MNOVXSKESA-N 289.328 0.250 0 50 CCAA C[C@H]1CCO[C@@H]1C(=O)N1C[C@H](C)[C@@](C)(C(=O)O)C1 1857527791 JOZDFJUURHWZTE-YVNDNENWSA-N 255.314 0.981 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2ccnc(NC)c2)C[C@@H]1O 216966004 HINUSQUTYXVZHC-FZMZJTMJSA-N 279.340 0.471 0 50 CCAA COc1nc(N[C@@H](C)Cn2cncn2)ncc1F 1704351875 KPLGJTZTEIOYJK-ZETCQYMHSA-N 252.253 0.716 0 50 CCAA Cn1cncc1CN(CCO)C(=O)C[C@@H]1CCCOC1 1704313838 KKEUDZVDKYAGSH-LBPRGKRZSA-N 281.356 0.558 0 50 CCAA COC(=O)c1cccc(OCCn2nnnc2C)c1 131868311 UOTDARKCSHOOMG-UHFFFAOYSA-N 262.269 0.847 0 50 CCAA CCc1nc(=NCc2cnc3c(cnn3C)c2)[nH][nH]1 1875279777 CYCSNYKBMUSAGR-UHFFFAOYSA-N 257.301 0.683 0 50 CCAA COc1ncc(Cl)c(N2CCN3CCOC[C@H]3C2)n1 371808716 KHDXORXDGBXMLO-SECBINFHSA-N 284.747 0.659 0 50 CCAA C=CC(=O)N(C)CC(=O)NCC1([S@](C)=O)CCC1 861506692 VLUPSJJWLRSNQS-SFHVURJKSA-N 272.370 0.048 0 50 CCAA COC(=O)C12CC(C(=O)N3CC(OC(F)F)C3)(C1)C2 592791343 NSQOVDWBVJFBGA-UHFFFAOYSA-N 275.251 0.780 0 50 CCAA Cc1ncc(Cl)c(N2CCO[C@H](C(=O)O)C2)n1 1772710620 YPATUTQAMBWWKE-QMMMGPOBSA-N 257.677 0.728 0 50 CCAA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1 169694055 PKBOQYMJBKCFPT-FOCJUVANSA-N 285.299 0.800 0 50 CCAA O=C([C@H]1CCc2ncnn2C1)N1CCc2ncccc2C1 1857721692 BLAASVPSEJHZTO-LBPRGKRZSA-N 283.335 0.820 0 50 CCAA O=C(NCc1ccccc1)NC[C@H]1CCNC[C@@H]1O 710043183 FGNJZTNVWUUQQH-OLZOCXBDSA-N 263.341 0.456 0 50 CCAA Cn1ccnc(N2CCC[C@H](N[C@H]3CCCOC3)C2)c1=O 328647530 TZWFNXPONFEOII-STQMWFEESA-N 292.383 0.518 0 50 CCAA c1ccc(CN2C[C@@H]3C[C@H]2CN3CCn2cnnn2)cc1 931494005 NSHZGLMEXIKYJQ-GJZGRUSLSA-N 284.367 0.632 0 50 CCAA Cc1cccc(F)c1C(=O)N1CCN(C)[C@H](CO)C1 1262186354 XSOZTXIOODKKBA-NSHDSACASA-N 266.316 0.883 0 50 CCAA CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCCO3)C2)n1C 1875272707 WTFXCKFHNZRKNQ-AWEZNQCLSA-N 293.371 0.713 0 50 CCAA CCOC(=O)c1cn(C)nc1NC(=O)[C@@H]1C[C@H](C)CO1 889848784 WEARZHMYIZCFRF-WPRPVWTQSA-N 281.312 0.960 0 50 CCAA CC(C)c1nc(CNC(=O)[C@H]2C[C@H](O)CN2)cs1 236842402 ADDAGWYQUKNMLO-VHSXEESVSA-N 269.370 0.606 0 50 CCAA O=C1C[C@H](C(=O)NCCCOC2CCCC2)CN1 195375946 YOHUOISRBVEUJS-JTQLQIEISA-N 254.330 0.588 0 50 CCAA CC[C@@H]1CC[C@H](C(=O)N2CCO[C@H]([C@H](C)O)C2)O1 408470885 ROBLXYKGSZOLHK-QCNOEVLYSA-N 257.330 0.552 0 50 CCAA CC[C@@H]1CN(C(=O)[C@H](CCSC)NC(=N)O)C[C@H]1O 330514150 LCAGWQVMFIXRAO-KXUCPTDWSA-N 289.401 0.420 0 50 CCAA COc1cc(CN2CCN(CC(=N)O)CC2)ccn1 330510819 DSODSNJJZNRLGN-UHFFFAOYSA-N 264.329 0.743 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)NCc1csc(N)n1 584896424 VLVZBSHRRZJRNP-ZETCQYMHSA-N 265.342 1.108 0 50 CCAA CN(c1ccc(S(C)(=O)=O)cc1)[C@H]1[C@@H]2CNC[C@@H]21 2325776911 NGSGWAYHWNXKFV-ITGUQSILSA-N 266.366 0.744 0 50 CCAA O=C(O)CSC1=NS(=O)(=O)c2ccccc21 4206686 LYHWDWXFGPHJOQ-UHFFFAOYSA-N 257.292 0.953 0 50 CCAA CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 6697987 RZCOVGKOUGQPOR-UHFFFAOYSA-N 272.326 0.353 0 50 CCAA Cc1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1 6747587 XOFNDCCCKDEBFV-UHFFFAOYSA-N 261.281 0.828 0 50 CCAA Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)o1 343113192 XKIBLNWAFSGDMP-SNVBAGLBSA-N 286.357 0.382 0 50 CCAA COC(=O)CCC(=O)Nc1ccc(C(=O)OC)nn1 225591631 JIBMWCYEOOGJSI-UHFFFAOYSA-N 267.241 0.155 0 50 CCAA Cc1nonc1CN1CCC[C@@](O)(CC(=O)N(C)C)C1 818250093 NWFPSTQZYGFWIL-CYBMUJFWSA-N 282.344 0.183 0 50 CCAA Cc1c([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)O)cnn1C 249376634 LBFHIJXQHCZUNG-CNUIFLNQSA-N 251.286 0.626 0 50 CCAA Cc1oncc1NS(=O)(=O)c1cn(C)c(C)n1 136503744 NFXUIWYFISQDGI-UHFFFAOYSA-N 256.287 0.826 0 50 CCAA CCC(CC)NC(=O)c1nnc2n1CC[C@H](C(=O)OC)C2 601044129 HNSPKTMTDYLBIO-VIFPVBQESA-N 294.355 0.932 0 50 CCAA COc1ccc(C(=O)N=c2[nH]nc3n2CCCC3)nn1 329334786 KVWHTKVWAUJZQL-UHFFFAOYSA-N 274.284 0.087 0 50 CCAA CCOc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1 150932502 TYJPOLBOUCFSBP-RYUDHWBXSA-N 264.325 0.424 0 50 CCAA CN(C)[C@@H]1CCCN(Cc2cnn(CCC(=O)O)c2)C1 214967242 UIZJDKATSWAORO-CYBMUJFWSA-N 280.372 0.884 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@H]2C[C@H](O)C2(C)C)c[nH]1 230956280 NTUOCLYHSIVDOU-QWRGUYRKSA-N 250.298 0.573 0 50 CCAA CC[C@H]1CCCN(C(=O)NCc2nnn(C)n2)CC1 253433287 VFIFHVGRHDPXIF-JTQLQIEISA-N 266.349 0.932 0 50 CCAA O=C(N[C@H](Cc1ccncc1)C(=O)O)[C@H]1CCOC1 257671771 IQBYCNMSRVRRMW-WDEREUQCSA-N 264.281 0.230 0 50 CCAA O=C(NCCNC[C@]1(O)CCCNC1)c1ccc(F)cc1 72418295 OFTBGVCLEPYVJA-HNNXBMFYSA-N 295.358 0.260 0 50 CCAA O=C(c1cnn2ncccc12)N1CCC[C@H]1Cn1ccnn1 329155975 BVLUNTHECKZESH-NSHDSACASA-N 297.322 0.626 0 50 CCAA Cn1cc(NC(=O)C2(N)Cc3ccccc3C2)cc1C(N)=O 370798246 LAJGJCCYYSQEPR-UHFFFAOYSA-N 298.346 0.559 0 50 CCAA CC(C)N1C[C@H](NC(=O)Cc2cncnc2)CC1=O 290153323 PYNDQLMOOCLWIV-LLVKDONJSA-N 262.313 0.145 0 50 CCAA CNC[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 178408797 UMHXWZMTSYYSBF-WFASDCNBSA-N 273.380 0.769 0 50 CCAA CCN(CCn1cccn1)C(=O)NCCCc1nn[nH]n1 426599525 HYGOOUPPOSWIFD-UHFFFAOYSA-N 292.347 0.061 0 50 CCAA O=C(CN1CC[C@H](CO)[C@@H](O)C1)Nc1ccc(Cl)cn1 514753660 HWFUCDXKPDVLGA-KOLCDFICSA-N 299.758 0.349 0 50 CCAA CC(C)N1C[C@@H](C(=O)NCCc2cnn[nH]2)CCC1=O 426712796 STGACOUBOINWJL-JTQLQIEISA-N 279.344 0.110 0 50 CCAA CCN1C(=O)[C@@H]2[C@H]3C[C@H]4[C@H](O[C@]1(C(C)C)[C@H]42)[C@H]3O 238900861 KLDJVKPOYBMPEF-UQALXCMBSA-N 251.326 0.843 0 50 CCAA COc1ccsc1C(=O)N1CCO[C@@H](C(=O)O)C1 161383508 UBNBEDIPEWGLLN-MRVPVSSYSA-N 271.294 0.682 0 50 CCAA Cc1nc2ccccc2n(CCCn2cnnn2)c1=O 95367067 DILOBMUMSXTYAJ-UHFFFAOYSA-N 270.296 0.782 0 50 CCAA O=C(O)c1ccc(CN2CCC[C@H](CO)C2)nc1 94762235 MHWQKCVKHUBHQZ-JTQLQIEISA-N 250.298 0.984 0 50 CCAA Cc1nc2c(c(N3CC[C@](C)(O)[C@@H](O)C3)n1)CCC2 96147937 YDYPSEDDHWWCBG-JSGCOSHPSA-N 263.341 0.596 0 50 CCAA Cc1ccc2nc(C(=O)N3CC[C@@H]3C(=O)O)cn2c1 95497605 JEOMOASUDWSJOT-SNVBAGLBSA-N 259.265 0.942 0 50 CCAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CN(C)C)C2 95499979 PVRRWVSRGVKFDX-LLVKDONJSA-N 278.352 0.924 0 50 CCAA COCc1noc(Cn2ccc3ncccc3c2=O)n1 95392897 FWTGTLYIMVDCEG-UHFFFAOYSA-N 272.264 0.974 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)NCCc2nnc(N)s2)n1 244602073 DXBVOZAZQSIKIE-VIFPVBQESA-N 294.384 0.854 0 50 CCAA Nc1n[nH]c(CCNC2CCN(Cc3ccco3)CC2)n1 534661278 LYCPSHMVIPPSGZ-UHFFFAOYSA-N 290.371 0.777 0 50 CCAA Cn1ccnc1CN(CCO)CCN1C[C@@H]2CC[C@H]1C2 1076061900 HWJGWXBIQRNQGF-KGLIPLIRSA-N 278.400 0.699 0 50 CCAA CCN1CCCC[C@@H]1CNC(=O)NCCC(=O)O 818208133 VZACPHBIBCKQOV-SNVBAGLBSA-N 257.334 0.635 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc(C)cc1 823350068 GMNVRMWJZZCFFH-KBPBESRZSA-N 298.408 0.992 0 50 CCAA C[C@H](C(=O)NCC1(O)CCN(C)CC1)N1CCCCC1 823761221 XNIVEVUONHQYOK-CYBMUJFWSA-N 283.416 0.434 0 50 CCAA CCN(CC)S(=O)(=O)NCCn1nc(C)c(C)c1C 823086699 XMXCAYWGMRBMKA-UHFFFAOYSA-N 288.417 0.985 0 50 CCAA CC(C)OC(=O)N1CCC(N[C@@H]2CCN(C)C2=O)CC1 584890764 NJJWBNYJTFUECO-GFCCVEGCSA-N 283.372 0.816 0 50 CCAA O=C1CCc2c1cccc2C(=O)N1CC[C@H](O)[C@@H](O)C1 584884606 RPLAKCUNKKVHFO-KBPBESRZSA-N 275.304 0.383 0 50 CCAA O=C(CCN1CCCC1=O)NCCC1(O)CCCC1 584897785 XTXDWVKBKJQQLI-UHFFFAOYSA-N 268.357 0.810 0 50 CCAA Cn1c(O)nc(N[C@H](CO)c2ccc(F)cc2F)cc1=O 1363152204 HGXXBEHBAYASHK-SNVBAGLBSA-N 297.261 0.910 0 50 CCAA Cn1nncc1CN1CC[C@@H](n2cc(C3CC3)nn2)C1 1550538124 CFRNDNXUAYWUOL-LLVKDONJSA-N 273.344 0.731 0 50 CCAA Cn1c(C(=O)N[C@H]2CNC[C@@H]2O)cc2c(Cl)cccc21 1565529305 ARYKJYLJGHNVJL-GWCFXTLKSA-N 293.754 0.894 0 50 CCAA COc1ccc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cn1 96179951 RHROWZDEOBFDHY-GXFFZTMASA-N 266.297 0.048 0 50 CCAA COC1(CC(=O)Nc2nccn(C)c2=O)CCC1 276796724 VJDJYLGCIHAXOX-UHFFFAOYSA-N 251.286 0.678 0 50 CCAA CC[S@](=O)CC(=O)OCC(=O)OC(C)(C)C 170616564 OPXQRKYCJMGUMI-INIZCTEOSA-N 250.316 0.640 0 50 CCAA C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)CCN1 188365667 PBXHWIZOUJZFMK-CYBMUJFWSA-N 261.369 0.939 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ccon2)C1 643810374 BIVMBJBACZEHDA-ZDUSSCGKSA-N 267.329 0.480 0 50 CCAA COCC1=CCN(C(=O)CN2CCCC[C@H](O)C2=O)CC1 644437357 VOPGZFBQWNCOHU-ZDUSSCGKSA-N 296.367 0.165 0 50 CCAA NC(=O)[C@H]1CC[C@H]1C(=O)Nc1cc2ccccn2n1 655071379 KUPVWYDMFJTYFI-VHSXEESVSA-N 258.281 0.784 0 50 CCAA Cc1cnn(CC(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)c1 659224100 NGAREYYXYCDFHX-MNOVXSKESA-N 265.313 0.761 0 50 CCAA Cn1ccc(C(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)n1 585113729 WOUAIVIMBKRVMJ-CQSZACIVSA-N 295.339 0.651 0 50 CCAA CN(C)[C@H]1CCCCN(C(=O)c2nccn2C)C1 1506408851 XXWWQSMVFNNWSK-NSHDSACASA-N 250.346 0.976 0 50 CCAA CCOC(=O)[C@@H]1CN(Cc2ccco2)C(=O)C1=O 1534035 YGYRGGBYAUAMKP-SECBINFHSA-N 251.238 0.370 0 50 CCAA in-vitro O=C(NCc1ccccn1)C(=O)Nc1nccs1 2299203 YAAZRXKKMKRSTJ-UHFFFAOYSA-N 262.294 0.793 0 50 CCAA Cc1nccc(N2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 1704297132 IFAZRCAPFKIVHG-YPMHNXCESA-N 273.340 0.856 0 50 CCAA CCCS(=O)(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704311537 AXTZXPXFGWLUHK-OLZOCXBDSA-N 284.381 0.969 0 50 CCAA Cc1ncc(C)c(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)n1 1704299268 HFYHMILGYIBTJU-TZMCWYRMSA-N 285.351 0.923 0 50 CCAA CN1C[C@@]2(CCCN(c3cncc(N)n3)CC2)OC1=O 1857668124 DMUWWXYLYYGDDA-ZDUSSCGKSA-N 277.328 0.870 0 50 CCAA Cc1c(C(=O)NCc2n[nH]c(=N)s2)ccn1C 1857693946 UCTOBOYBMGVQKO-UHFFFAOYSA-N 251.315 0.528 0 50 CCAA CCCc1cnc(N2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)nc1 1875240805 FIBXNRDWBVLKIU-STQMWFEESA-N 290.367 0.865 0 50 CCAA C[C@H](O)CN1CCN(S(=O)(=O)c2ccco2)[C@@H](C)C1 230254570 LAQLPLMQVXULII-QWRGUYRKSA-N 288.369 0.355 0 50 CCAA N=c1nc(O)cc([C@@H]2CCN(C(=O)C3CC=CC3)C2)[nH]1 630722938 LZTSMWDWCRDWOZ-SNVBAGLBSA-N 274.324 0.877 0 50 CCAA COCCCn1ccc(NC(=O)[C@]2(C)CCC(=O)NC2)n1 242106236 WIASDVZNLZOEQV-CQSZACIVSA-N 294.355 0.774 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cc2c(cn1)OCCO2 566969975 UZYPTWBIDDQUEW-IUCAKERBSA-N 291.307 0.250 0 50 CCAA O=C1[C@H](N2CCC[C@@H](Cn3ccnn3)C2)CCN1C1CC1 162606674 MZRLXHHDCNEESJ-TZMCWYRMSA-N 289.383 0.753 0 50 CCAA COC(=O)[C@H](C)NC(=O)N1CC(=O)Nc2ccccc21 9059036 NBWIJMORKJPPME-QMMMGPOBSA-N 277.280 0.716 0 50 CCAA NC(=O)[C@](O)(CN1CCO[C@H](C2CC2)C1)c1ccccc1 851950894 AKTUBWBSSMXECM-HOCLYGCPSA-N 290.363 0.470 0 50 CCAA Cc1noc(C)c1CC(=O)N1CCOC[C@H]1CC(=O)O 129452274 XANQKUKMJBKUQN-SNVBAGLBSA-N 282.296 0.536 0 50 CCAA Cn1ncc2c1CCCN(C(=O)[C@@H]1C[C@@]13CCNC3)C2 952895385 UHUVBDXWVHUVPA-SWLSCSKDSA-N 274.368 0.695 0 50 CCAA Cc1occc1CN(C)S(=O)(=O)N1CCN(C)CC1 952995468 NJCVRDZKICXKAC-UHFFFAOYSA-N 287.385 0.512 0 50 CCAA CC(C)(CO)S(=O)(=O)Cc1cnnn1-c1ccccc1 1875279363 VYYDQJLIMBPIJH-UHFFFAOYSA-N 295.364 0.953 0 50 CCAA CN(C)[C@H]1c2ccccc2C(=O)N1[C@H]1CCC(=O)NC1=O 1875290418 DEDHMWRLLDHXOU-SMDDNHRTSA-N 287.319 0.508 0 50 CCAA COC(=O)[C@]1(NC(=O)[C@H](N)CC(C)C)CCCSC1 1875383325 OYBRARRGRXRIPT-MFKMUULPSA-N 288.413 0.915 0 50 CCAA CO[C@@H]1CN(CCC2(O)CCC2)C[C@H]1c1cn(C)nn1 886071794 JNKYKBGAJGKOGY-WCQYABFASA-N 280.372 0.534 0 50 CCAA CCC[C@H](NC(=O)C1=C(C)C(C)(C)OC1=O)c1nn[nH]n1 1775986946 GYIPLHIRDAAFLL-QMMMGPOBSA-N 293.327 0.809 0 50 CCAA OCCN1CCN(CCn2cc(Cl)cn2)CC1 312827845 HUFVMQRFKHZBGK-UHFFFAOYSA-N 258.753 0.146 0 50 CCAA O=C(Cn1ccnn1)N1CCC[C@H](c2ncc[nH]2)C1 426443043 BWUOSHAYMNXVRM-JTQLQIEISA-N 260.301 0.407 0 50 CCAA CC(C)C[C@@H](C(=O)O)N1CCN([C@H]2CCOC2)CC1 629489046 AEAPEQVQJMWKTG-STQMWFEESA-N 270.373 0.892 0 50 CCAA O=C(O)[C@H](C1CC1)N1CCN([C@H]2CCOC2)CC1 635018491 NKYYYRWQXYLRAZ-RYUDHWBXSA-N 254.330 0.256 0 50 CCAA O=C1CC[C@@H](NC(=O)[C@H]2CC23CCCC3)C(=O)N1 334355502 AQLFXZAQRTUHMN-RKDXNWHRSA-N 250.298 0.488 0 50 CCAA COCC[C@H]1CN(C(=O)c2cncc(O)c2)CCO1 584886458 VHQRBKKEKLKOSF-LBPRGKRZSA-N 266.297 0.665 0 50 CCAA COc1cc(Cn2cc(S(C)(=O)=O)cn2)ccn1 901602125 CLSHPWMCDFNYHL-UHFFFAOYSA-N 267.310 0.739 0 50 CCAA NC(=O)C[C@@H]1CCCCN1Cc1noc2c1COCC2 929519036 HNACQXPQHLTWHO-JTQLQIEISA-N 279.340 0.977 0 50 CCAA O=C(NC1C[C@H]2C[C@@H]2C1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 862045272 UTORPBLHNYXLRF-RAUHKYNCSA-N 277.320 0.622 0 50 CCAA CCCCOC(=O)[C@@H](O)[C@H](O)C(=O)OCCCC 1577189 PCYQQSKDZQTOQG-UWVGGRQHSA-N 262.302 0.395 0 50 CCAA CCCN1Cc2nnc(-c3cnn(C)c3)n2[C@H](C)C1=O 2356159481 CMIXBWVWVMEOJW-SECBINFHSA-N 274.328 0.992 0 50 CCAA CC(C)(CO)[C@H](O)C(=O)N[C@H]1CCC[C@H](C(=O)O)C1 4018437 YWSFEKQJLZGRIO-LPEHRKFASA-N 273.329 0.125 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)N[C@H](C)C1 247296091 OHMNGQXFDHOEOH-FXPVBKGRSA-N 271.386 0.117 0 50 CCAA Cn1nnc(CN2CCC[C@H](Oc3ncccc3F)C2)n1 281568968 DUDVEESGLBTOIE-JTQLQIEISA-N 292.318 0.788 0 50 CCAA CNCC(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 219875658 JRBDFPWGXRXGRT-NEPJUHHUSA-N 262.309 0.533 0 50 CCAA C=CC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 328597863 JEQMHQQOGUWNLD-UHFFFAOYSA-N 284.323 0.497 0 50 CCAA CCCCO[C@@H](C)C(=O)N1CCc2c(ncn(C)c2=O)C1 328640552 XLEFQFTYJBKEAU-NSHDSACASA-N 293.367 0.870 0 50 CCAA COCCNC(=O)[C@H](c1ccccc1)n1cnnn1 71376238 DVAVYMKNERNNJT-NSHDSACASA-N 261.285 0.025 0 50 CCAA Cn1cncc1CNC(=O)[C@]1(O)CCc2ccccc2C1 368230215 VTXFQUMLWUXHPU-INIZCTEOSA-N 285.347 0.956 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)/C=C/c1ccccn1 521363665 YXFGIWGNIWELME-SGUJLRQBSA-N 262.265 0.407 0 50 CCAA CN1C(=O)C[C@@H](N[C@H]2CCCOC2)[C@@H]1c1ccnn1C 284965508 WSEJTLUVOFZSEH-MISXGVKJSA-N 278.356 0.461 0 50 CCAA CN(C)[C@H](/C=C/c1ccccc1)CS(N)(=O)=O 43763742 WJZRJFXLYOPLGY-IDVQTMNDSA-N 254.355 0.919 0 50 CCAA Cc1nc2ccccc2n1CC(=O)NCCCc1nn[nH]n1 426518833 RSAMHFLTEPAKLM-UHFFFAOYSA-N 299.338 0.607 0 50 CCAA O=c1cc(CN(CCO)CCO)[nH]c2c(F)cccc12 91620375 LOHJAROWCRENFI-UHFFFAOYSA-N 280.299 0.454 0 50 CCAA CNc1cc(C(=O)NCCCN2CCCC2=O)ccn1 97742891 XUACHMYXCBJYIM-UHFFFAOYSA-N 276.340 0.866 0 50 CCAA c1n[nH]cc1[C@@H]1OCCC[C@H]1CN=c1ccc2nncn2[nH]1 624686689 OEMPBZBIUBSKQV-IINYFYTJSA-N 299.338 0.849 0 50 CCAA C[C@H]1CO[C@H](C)CN1S(=O)(=O)N[C@@H]1CCC[C@H]1CN 299739971 UHAIKCPORAGJJW-WHOHXGKFSA-N 291.417 0.057 0 50 CCAA CCCc1cc(N[C@@H]2CCNC[C@H]2O)nc(C)n1 534630530 GZOBZKKSDJWSID-VXGBXAGGSA-N 250.346 0.872 0 50 CCAA COC(=O)c1cccc(NC(=O)N[C@@H]2CNCC[C@H]2O)c1 299755587 AJRZTXJCYQWWSH-VXGBXAGGSA-N 293.323 0.318 0 50 CCAA NC(=O)Cc1nc(-c2ccc3c(c2)CCCO3)n[nH]1 826841941 FJPLUQSLFUMTHG-UHFFFAOYSA-N 258.281 0.825 0 50 CCAA CCn1cnnc1CN(C)Cc1c[nH]nc1C(=O)O 823592591 QVWFUXMKXWEGTE-UHFFFAOYSA-N 264.289 0.351 0 50 CCAA CN(CC(=O)NCc1ccon1)Cc1ccccn1 823715065 MBHRLNPGSFQYSP-UHFFFAOYSA-N 260.297 0.818 0 50 CCAA COc1ncc(CN2CCOC[C@H](CN(C)C)C2)cn1 824852134 XJWWGPGLAUHAMS-CYBMUJFWSA-N 280.372 0.495 0 50 CCAA Cc1nc([C@H](C)NC(=O)CNS(C)(=O)=O)c(C)s1 584903905 KEMQLPNPUQWHHB-LURJTMIESA-N 291.398 0.486 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1 584898261 FDSLSJCVGAUHTG-KBPBESRZSA-N 292.383 0.237 0 50 CCAA c1cnc(N2CCN(CCN[C@H]3CCSC3)CC2)nc1 584889339 ITUQTBXFAWIDPE-ZDUSSCGKSA-N 293.440 0.694 0 50 CCAA COc1ccnc(N2CCN(Cc3[nH]cnc3C)CC2)n1 670469327 ORAVMPIKSIZLSK-UHFFFAOYSA-N 288.355 0.839 0 50 CCAA O=C(c1ccn(CC(F)(F)F)n1)N1CC=C[C@H]1CO 1337411238 WIYQXVNAIJNNOS-QMMMGPOBSA-N 275.230 0.818 0 50 CCAA CC[C@H](c1ccccn1)N(C)C(=O)Cn1cnnn1 952860047 AXYLSEVXPWECHR-LLVKDONJSA-N 260.301 0.678 0 50 CCAA CN1C[C@@H](CNc2ncnc3[nH]ccc23)OCC1=O 885939056 PJYYMMJFPAUWTO-MRVPVSSYSA-N 261.285 0.227 0 50 CCAA Cn1ccc(C(=O)N2CCC[C@@H](OCCO)C2)c1 269553698 ZFWATKFPWLSPTK-GFCCVEGCSA-N 252.314 0.639 0 50 CCAA O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(-n2ccnn2)c1 270418464 JXBYNDSWCOFZNQ-WCQYABFASA-N 284.319 0.934 0 50 CCAA C[C@@H]1CN(CC(=O)NC(N)=O)c2cccc(F)c2O1 185985966 RCAAFBGMYWDKPX-SSDOTTSWSA-N 267.260 0.608 0 50 CCAA CCS(=O)(=O)N[C@H](C(=O)O)c1cccc(OC)c1 275222974 IRHSNOKLWWUDGH-JTQLQIEISA-N 273.310 0.760 0 50 CCAA CC(C)(C)OC(=O)N[C@H](Cc1cn[nH]c1)C(=O)O 703495704 SUWZGXDLLRDDCP-MRVPVSSYSA-N 255.274 0.930 0 50 CCAA CCS(=O)(=O)C[C@H](C)NCc1ccnc(N(C)C)n1 170591969 YWCMQELXNAVHKQ-JTQLQIEISA-N 286.401 0.455 0 50 CCAA CCN1CN(C(=O)[C@@H]2CCO[C@H]2c2nccn2C)CC1=O 408048558 NSKRUYATYSORJX-ZYHUDNBSSA-N 292.339 0.146 0 50 CCAA COC(C)(C)CCn1cnc2c(nnn2C)c1=O 647135225 HBRKKERGBFLXRW-UHFFFAOYSA-N 251.290 0.340 0 50 CCAA O=C(Cc1c(F)cccc1F)N1CC[C@@H](CO)[C@H](O)C1 192622656 KHUBEVNVESSPDJ-TVQRCGJNSA-N 285.290 0.709 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 583652291 ZIRHKYAZDIOHLQ-VIFPVBQESA-N 274.280 0.364 0 50 CCAA Cn1cnn(CC(=O)NC[C@@H]2CCCC2(F)F)c1=O 1615589947 HMJFPMLWNWGQNP-QMMMGPOBSA-N 274.271 0.133 0 50 CCAA CCNC(=O)N[C@@H]1CCN(c2nc(O)cc(COC)n2)C1 1616034435 LLRYBBQVOSHLGX-SECBINFHSA-N 295.343 0.226 0 50 CCAA CCN1CCC[C@H]1CN1CCN(S(=O)(=O)CC)CC1 1506424563 DFDSEWXRQXXJOY-ZDUSSCGKSA-N 289.445 0.438 0 50 CCAA O=C(C1CCOCC1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857713126 FIDYOHZLDDQOGH-WXHSDQCUSA-N 269.341 0.411 0 50 CCAA CCOCc1nnc2n1CC[C@H](C(=O)OC)CC2 601044347 PCLXZPVSDPMDPY-SECBINFHSA-N 253.302 0.940 0 50 CCAA Cc1ncc(C[n+]2csc(CCO)c2C)c(=O)[nH]1 13520371 SRDGSXVLAVRBLU-UHFFFAOYSA-O 266.346 0.319 0 50 CCAA in-vitro CCn1nc(CC(=O)NC)nc1[C@H]1CCn2nccc2C1 1857701710 UOHAKYZWTQJTJG-JTQLQIEISA-N 288.355 0.513 0 50 CCAA CN1CCCCC[C@H]1C(=O)N1CCO[C@@]2(CCNC2)C1 1857704568 XQFGGBZAQLOFNK-DZGCQCFKSA-N 281.400 0.452 0 50 CCAA CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCc2cncn2C1 569579596 OQOHLFANHXNRBJ-SNVBAGLBSA-N 259.313 0.827 0 50 CCAA O=C(c1cccnc1)N1CCOC[C@H]1c1ncon1 328992418 FSSFKBGPIHZUES-JTQLQIEISA-N 260.253 0.678 0 50 CCAA NC[C@H]1CCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1 238054096 SRVOHYUKVHHRGO-GFCCVEGCSA-N 289.314 0.970 0 50 CCAA COCCN1CN(C(=O)[C@@H]2CCCc3c[nH]nc32)CC1=O 367040053 DIUHSBJNOHLDPO-LLVKDONJSA-N 292.339 0.104 0 50 CCAA C[C@]1(C(=O)NCc2ccc(CO)c(F)c2)CCC(=O)NC1 373857847 ZWRRTZKOXHWBCF-HNNXBMFYSA-N 294.326 0.851 0 50 CCAA N[C@@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 157906169 BGOQEAHHYLRJNW-CYBMUJFWSA-N 259.353 0.432 0 50 CCAA CN(C[C@H](O)CO)C(=O)c1ccccc1-n1cccc1 935192925 MISRTUVVLVVCFS-LBPRGKRZSA-N 274.320 0.903 0 50 CCAA COC(=O)C1(C)CC(C(=O)N2CC(c3nc(C)no3)C2)C1 1875278430 YWRMWOWXRCEPJT-UHFFFAOYSA-N 293.323 0.893 0 50 CCAA CO[C@]1(C)C[C@@H](NS(=O)(=O)c2cn[nH]c2)C1(C)C 1875261114 MKGRFYNJTMGWEJ-MWLCHTKSSA-N 273.358 0.892 0 50 CCAA O=C([C@@H]1C[C@@H]2CC[C@H]1O2)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1875302298 JLDGUVHWFISDJC-AYDOGRCQSA-N 281.308 0.114 0 50 CCAA C[C@H]1CN=C(N2CCc3nc(N(C)C)ncc3C2)N1C 1875355958 IBSSDLIXGBSUEU-JTQLQIEISA-N 274.372 0.591 0 50 CCAA CN1C[C@@H](O)[C@H](CC(=O)NCCn2ccc(C3CC3)n2)C1 1875403761 ATPHGRUSYMTXFL-TZMCWYRMSA-N 292.383 0.189 0 50 CCAA Cc1nc(C2CN(c3cc(-n4ccnc4)ncn3)C2)n[nH]1 895328680 NNFHTRNFLDRAOT-UHFFFAOYSA-N 282.311 0.693 0 50 CCAA C=CC(=O)N1[C@H]2CCC[C@H]1CC1(C2)NC(=O)NC1=O 1776005300 GLYFPBFFFVZVSS-IUCAKERBSA-N 263.297 0.294 0 50 CCAA COC[C@](C)(NC(=O)c1cnn2ccccc12)C(=O)O 262157767 GNOCSBPJSOUJDJ-ZDUSSCGKSA-N 277.280 0.554 0 50 CCAA NS(=O)(=O)C[C@@H]1CCCN1C(=O)C1[C@H]2CCCC[C@H]12 408271381 WVZGRJWQRABVGN-DCAQKATOSA-N 286.397 0.702 0 50 CCAA COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 336961675 CHNWFSRTDWLNEC-NCKSRDSBSA-N 265.309 0.431 0 50 CCAA Cc1nn(C)cc1CC(=O)Nc1cnc2ccccn2c1=O 2100557444 SPFDNDDSUXWTIX-UHFFFAOYSA-N 297.318 0.918 0 50 CCAA Cc1nc(C)n(CC(=O)NCC2(C(=O)O)CCC2)n1 2325798858 FOBVUEAWYHYONM-UHFFFAOYSA-N 266.301 0.266 0 50 CCAA CO[C@H]1[C@@H]([C@H](O)CO)O[C@@H]2OC3(CCCCC3)O[C@H]12 4262147 GWIJXRQWFMLKAN-RMPHRYRLSA-N 274.313 0.155 0 50 CCAA CCn1ncc(S(=O)(=O)Nc2ccn(C)n2)c1C 6706500 GTMQWGPAIHSDQW-UHFFFAOYSA-N 269.330 0.746 0 50 CCAA CCCN1C[C@@H](C(=O)N2CC(OC(F)F)C2)CC1=O 412267030 FZJNZXYKFMHTAG-QMMMGPOBSA-N 276.283 0.695 0 50 CCAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1=NNC(=O)CC1 67641870 KXHRLDHAQOYWAZ-UHFFFAOYSA-N 291.355 0.932 0 50 CCAA CCCN(CC(=O)O)C(=O)[C@H]1CCN(C)C(=O)C1 139707789 GSBUJCFLYOCJAT-VIFPVBQESA-N 256.302 0.178 0 50 CCAA CCOC(=O)[C@@H](NC(=O)[C@@H]1NCC1(C)C)C1CC1 1329118296 NAFUNYFSKBWHOK-UWVGGRQHSA-N 254.330 0.442 0 50 CCAA COCCn1ccnc1CN1CCN(C)C(=O)[C@H]1C 67787436 QUUFQRVNQIPCDG-LLVKDONJSA-N 266.345 0.192 0 50 CCAA Cn1nnc2c1C[C@@H](C(=O)N1CCC(F)(F)C1)CC2 329565495 KKTYUFNNPUKHNV-QMMMGPOBSA-N 270.283 0.788 0 50 CCAA CC[C@H](C)OCC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 330399783 IUJZLTUCMAUNTE-VHSXEESVSA-N 278.374 0.081 0 50 CCAA COCCN1C[C@@H](C(=O)NCCCSC)CC1=O 123630673 OCYRDMKROAHPCX-JTQLQIEISA-N 274.386 0.351 0 50 CCAA O[C@@]1(CNCCCn2nccc2C2CC2)CCCNC1 72456569 MFAYZGDSWLVJEU-HNNXBMFYSA-N 278.400 0.855 0 50 CCAA CC(C)n1cc(C(=O)N[C@@H]2CCCCNC2=O)cn1 77522663 STTYHPSZUQUXTH-LLVKDONJSA-N 264.329 0.863 0 50 CCAA CC(C)N1C[C@H](C(=O)N(C[C@@H](C)C(=O)O)C2CC2)CC1=O 236594063 ZRYFIFXDARKCOY-GHMZBOCLSA-N 296.367 0.955 0 50 CCAA Cc1nc(N2CCOC[C@H](CO)C2)c2c(C)noc2n1 77302683 MYKLXCRNPGRTII-JTQLQIEISA-N 278.312 0.680 0 50 CCAA C[C@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@@H](C)N1 521394614 LNWFBKPIXXZPNE-GRYCIOLGSA-N 256.346 0.391 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1ccnn1C1CCCC1 262833195 YCGRSNYUFTXGND-LBPRGKRZSA-N 293.323 0.924 0 50 CCAA COC(=O)NCc1cc2n(n1)CCCN(C(C)=O)C2 82097867 COACDSFQGCOWNA-UHFFFAOYSA-N 266.301 0.491 0 50 CCAA COCc1noc(CNc2cc([C@@H]3CCOC3)ncn2)n1 426465453 NKQGVGUNYMAQDU-SECBINFHSA-N 291.311 1.122 0 50 CCAA CC(C)N1CCN(C(=O)c2cncc(=O)[nH]2)C[C@H]1C 426503580 QIHQBSKQOZAYIF-SNVBAGLBSA-N 264.329 0.325 0 50 CCAA CN(C)c1nc(N)cc(N2C[C@H](C3CC3)[C@@H](N)C2)n1 92045471 YZSVAQLGCHGSHH-ZJUUUORDSA-N 262.361 0.298 0 50 CCAA CSCc1noc(CN2Cc3cnn(CCO)c3C2)n1 244734682 NJYUSPJSLQZHEA-UHFFFAOYSA-N 295.368 0.637 0 50 CCAA Cc1nc(C2(NC(=O)[C@H]3C[C@H]3C(=O)O)CCC2)no1 299752370 TXDFYXUIEVHEAE-JGVFFNPUSA-N 265.269 0.594 0 50 CCAA NC(=O)[C@@H]1CN(CCn2cccn2)C[C@H]1C(F)(F)F 299743770 MBNMQDOXAOVVDE-RKDXNWHRSA-N 276.262 0.479 0 50 CCAA O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1C[C@@H](O)CN1 262528605 PEEUCIAMQNXHEZ-MFKMUULPSA-N 288.351 0.335 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CCCc1cn[nH]c1 534637713 YPERWNLRJXPFGM-VXGBXAGGSA-N 276.340 0.669 0 50 CCAA O=C(O)CCn1cc(CN2CCSCC2)cn1 534664644 LQHHJMYIYBTSOA-UHFFFAOYSA-N 255.343 0.907 0 50 CCAA CNC(=O)c1cccnc1NC[C@@H](O)CN1CCCCC1 360952291 YTRJQBMZVWFIPS-GFCCVEGCSA-N 292.383 0.700 0 50 CCAA Cn1c(CCNc2cc([C@H]3CCOC3)ncn2)n[nH]c1=O 299779316 QQOWXXKRBMZISY-VIFPVBQESA-N 290.327 0.057 0 50 CCAA O=C(NCc1nc(O)n[nH]1)C1CCN(C2CCCC2)CC1 827758237 YIFHGJQFPABTFU-UHFFFAOYSA-N 293.371 0.781 0 50 CCAA CCN(C)C(=O)Cn1nnnc1N1CCC[C@@H](C)[C@@H]1C 685945074 RYYFAZGDSGNHCC-MNOVXSKESA-N 280.376 0.776 0 50 CCAA Cc1noc(C)c1CCNC(=O)[C@H]1C[C@H]1C(=O)O 268876426 BJKCWSDKVLRIJY-VHSXEESVSA-N 252.270 0.671 0 50 CCAA CC[C@@H]1C(=O)NCCCN1C(=O)CCCn1ccnc1 886509698 YXBFLLCZRSRHMX-GFCCVEGCSA-N 278.356 0.790 0 50 CCAA C[C@H](N)C(=O)N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 166612511 ZOUJTTOHTCIQMB-IHRRRGAJSA-N 282.432 0.351 0 50 CCAA CCn1nccc1S(=O)(=O)N[C@H]1CCO[C@H]1C 274546488 GCCLTDRAZQXKHP-IUCAKERBSA-N 259.331 0.359 0 50 CCAA CCn1cc(S(=O)(=O)N(C)[C@@H](C)C[S@](C)=O)cn1 274646917 BDXGKVHHCQDGQZ-XYZCENFISA-N 293.414 0.291 0 50 CCAA CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCSC2)CCN1C 631607631 CFHDQJCNFKTHAP-LOWVWBTDSA-N 272.414 0.701 0 50 CCAA C[C@@H]1[C@H](N)CCN1C(=O)Cc1cccc2c1CCNC2 638236034 UHMQLNNJWQAEQQ-IAQYHMDHSA-N 273.380 0.823 0 50 CCAA Cc1cc(NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)nnc1C 560401914 NDISYEFQMSEHJE-YVECIDJPSA-N 286.335 1.511 0 50 CCAA COC[C@H]1CN(C(=O)c2[nH]nnc2C)CC(C)(C)O1 583617300 DKBBTPQRNQYRJC-SECBINFHSA-N 268.317 0.379 0 50 CCAA O=C(NCCc1ccccn1)[C@@H]1CN2CCC[C@H]2CO1 585120729 GFDZHKMXSLUEDM-KBPBESRZSA-N 275.352 0.604 0 50 CCAA O=C(CC1OCCO1)N[C@H]1CCN(c2ncccc2F)C1 789989673 KWYFVQTYPBFHIW-JTQLQIEISA-N 295.314 0.679 0 50 CCAA C[C@@H]1CCCC[C@@H]1CC(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1616037210 BXSQISYAIXHVMR-JHJVBQTASA-N 294.395 0.912 0 50 CCAA Cc1nnc(CN2CC3(CNC(=O)N3C)C2)s1 1875247777 RZQMSGZYIQHSFM-UHFFFAOYSA-N 253.331 0.056 0 50 CCAA COCCN(C)CC(=O)N(C)C[C@]1(C)CCN(C)C1 1506413670 JRZMPCVLQMEVGA-CQSZACIVSA-N 271.405 0.365 0 50 CCAA COc1nccnc1N1C[C@H](O)[C@@H](N2CCCCC2)C1 1506431757 YAGJFCUMHSVYTK-RYUDHWBXSA-N 278.356 0.521 0 50 CCAA CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1)c1cccs1 226821914 IRAOEEMJUAFJBR-OUAUKWLOSA-N 283.397 0.190 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1ccncc1C 643764112 OULURBQPCAIBAF-AWEZNQCLSA-N 263.341 0.856 0 50 CCAA CSCc1noc(CN2CC[C@](C)(O)[C@H](O)C2)n1 247541481 SLKFCEAQDYTLQF-KCJUWKMLSA-N 273.358 0.250 0 50 CCAA Cc1nsnc1C(=O)N1CCC[C@H]1C1(O)CC1 1772814059 HKSDJMYBAJAJII-QMMMGPOBSA-N 253.327 0.976 0 50 CCAA O=C(c1cc(-n2cnnn2)n[nH]1)N1C[C@@H]2CCC[C@@H]21 1857695229 AJJXDNUEQCYLIR-CBAPKCEASA-N 259.273 0.010 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCCCNc2cccnc2)C[C@H]1O 1857732797 HLSQJRGEMBAXDB-CYZMBNFOSA-N 278.356 0.098 0 50 CCAA Cn1nc(C(=O)N2CCc3n[nH]cc3C2)nc1Cl 1857733632 RRUDGHMDWXWWNN-UHFFFAOYSA-N 266.692 0.390 0 50 CCAA O=C(NCc1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 2848272 TUOSAPVMLPJDJW-GFCCVEGCSA-N 280.299 0.737 0 50 CCAA O=C(CCO)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709960793 MGKAJGZJNAKORT-KBPBESRZSA-N 279.336 0.859 0 50 CCAA CC(C)(CO)ONC(=O)[C@H]1CCCN1c1ncccn1 823302948 UQCNOFPHIQATLH-SNVBAGLBSA-N 280.328 0.264 0 50 CCAA O=C1NCC2(CCOCC2)[C@H]1NCc1c(F)cncc1F 933031445 JBZZCEGLDZMZBQ-LBPRGKRZSA-N 297.305 0.745 0 50 CCAA CC(=O)c1ccc(S(N)(=O)=O)cc1NC[C@@H](C)N(C)C 952992721 RTIQMGGVDMZPHP-SECBINFHSA-N 299.396 0.899 0 50 CCAA COc1cccc(O)c1S(=O)(=O)N[C@H]1CCOC1 1875289599 CIUTXRWRQGGAIU-QMMMGPOBSA-N 273.310 0.468 0 50 CCAA O=C1CC2(CCC2)[C@H](C(=O)N=c2[nH][nH]c3cccnc23)CN1 1875297271 IQDBTSPWTGWGAV-VIFPVBQESA-N 299.334 0.625 0 50 CCAA CN(C)C/C=C/C(=O)N[C@H]1CCO[C@@H](c2cnn(C)c2)C1 1875375652 HXOVNCZOSWYVJS-OOPLNXAUSA-N 292.383 0.874 0 50 CCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2cnn(C)n2)C1 888076764 ANUICABMXGOHKW-WZRBSPASSA-N 293.371 0.187 0 50 CCAA Cc1nc2ccc(NC(=O)[C@@H](N)CO)cc2s1 169811928 VHIWSZWMDKXNLV-QMMMGPOBSA-N 251.311 0.863 0 50 CCAA O=C1OC[C@@H]2CN(CCn3cc(Cl)cn3)CCN12 495982718 PBMXGCFOQMKQHW-JTQLQIEISA-N 270.720 0.673 0 50 CCAA CC(C)n1ccnc1CN1C[C@H](O)[C@@H](N(C)C)C1 216439221 GDVVDRWHNNYDJC-RYUDHWBXSA-N 252.362 0.571 0 50 CCAA C[C@@H](C(=O)N[C@@H]1CC[C@H](CC(=O)O)C1)n1cncn1 711307510 WPIMQIHOVFBMLX-LPEHRKFASA-N 266.301 0.599 0 50 CCAA NC[C@@H]1C[C@H]2CN(C(=O)[C@@H]3NC[C@@H]4CCC[C@@H]43)C[C@@H]12 2325788225 UCXABRUFICDNOR-LQSBQDLSSA-N 263.385 0.428 0 50 CCAA CC1(C)CC(=O)O[C@H]1CNC(=O)N[C@H]1Cc2nccn2C1 2325799563 IDIJKSNVSWMYEI-UWVGGRQHSA-N 292.339 0.449 0 50 CCAA Cc1nc2ccccc2c2nc(-n3cnnn3)nn12 440016 NZWWKQTUJFCMDR-UHFFFAOYSA-N 252.241 0.562 0 50 CCAA Cc1nn(C)c2nc(C(=O)Nc3nc[nH]n3)ccc12 342337715 SZVIEUNLJOIXHF-UHFFFAOYSA-N 257.257 0.647 0 50 CCAA Cc1cc(C)c(NC(=O)C(=O)NCCO)c(C)c1 2994005 BUDVRRIRPYQXBA-UHFFFAOYSA-N 250.298 0.659 0 50 CCAA O=C(NC[C@@H]1COc2ccccc2O1)C(=O)N1CCCC1 3002794 FLQQOGQBFOQWIJ-LLVKDONJSA-N 290.319 0.565 0 50 CCAA CN1CCO[C@]2(CCN(Cc3ccn4ncnc4c3)C2)C1 2356163872 VHWIPHGUMIBBBC-OAHLLOKOSA-N 287.367 0.636 0 50 CCAA CCN1C[C@@H](NC(=O)c2ccccc2-c2nc[nH]n2)CC1=O 67787337 ILFXNCYKPZUXQE-JTQLQIEISA-N 299.334 0.822 0 50 CCAA C[C@@](O)(CCCO)CNC1CSCCSC1 67642136 NAYRSVHJRKMYMN-LLVKDONJSA-N 265.444 0.948 0 50 CCAA Cc1nc(NC[C@@H]2CCNC[C@H]2O)c2c(C)nn(C)c2n1 72454239 NLPSADLHECNEDR-WDEREUQCSA-N 290.371 0.362 0 50 CCAA CCc1ccc(CN2C(=O)NC3(CCNCC3)C2=O)nc1 77522541 NPEDUDDWNIJUFY-UHFFFAOYSA-N 288.351 0.818 0 50 CCAA Cc1noc([C@H]2CCN(CC(=O)N=c3cc(C)o[nH]3)C2)n1 328947920 BQMFDQWUMAQJJK-JTQLQIEISA-N 291.311 0.524 0 50 CCAA C[C@@H](c1nnnn1C)S(=O)(=O)c1nccs1 330960357 ORDUHLCMNJTVON-YFKPBYRVSA-N 259.316 0.202 0 50 CCAA CC(C)[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)O 236774989 RAONQOFECWZDHI-NSHDSACASA-N 289.295 0.501 0 50 CCAA COC(=O)C(=C/C(C)=C/N1CCOCC1)C(=O)OC 32619420 RBJUDXANRLTHCQ-MDZDMXLPSA-N 269.297 0.495 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@]2(C(=O)O)CC[C@H]1CN2 257957743 MMKQDCKXCAFEMX-QPUJVOFHSA-N 256.302 0.813 0 50 CCAA CCOC1CC(CN2CCN3C(=O)N(C)C(=O)[C@@H]3C2)C1 367061692 HVSXDRFIXKKHIY-MCIGGMRASA-N 281.356 0.380 0 50 CCAA O=C(O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 238191805 KFIYZAUBKSNNGH-MRVPVSSYSA-N 296.710 0.894 0 50 CCAA COc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1 35993540 RSMMZHGBIKDSEM-UHFFFAOYSA-N 284.381 0.940 0 50 CCAA C[C@H](C(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1)S(C)(=O)=O 378049611 ZEUBVBSAADMJSW-GMTAPVOTSA-N 289.397 0.836 0 50 CCAA CCO[C@H]1C[C@@](NC(=O)[C@@H]2CCCO2)(C(=O)O)C1(C)C 263479215 AGKWUMMMTGIZQL-PKFCDNJMSA-N 285.340 0.940 0 50 CCAA Cn1ccnc1CCNC(=O)COC[C@@H]1CCCCO1 223900768 RFNTVYBTRWXYLJ-LBPRGKRZSA-N 281.356 0.665 0 50 CCAA COC[C@H](O)CNC(=O)c1cnc(-c2ccccn2)nc1 426628729 HKFMUWZKGAUISK-LLVKDONJSA-N 288.307 0.276 0 50 CCAA CSc1ncc(C(=O)NCc2cc(O)nc(C)n2)cn1 222392938 JBDUZUNGTDCLSH-UHFFFAOYSA-N 291.336 0.933 0 50 CCAA O=C(NCc1nc(C2CC2)no1)c1cnc(O)cn1 223269108 ISNWQTRQQGUFTQ-UHFFFAOYSA-N 261.241 0.373 0 50 CCAA NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCCCC1=O 177774981 BYDUFYZWJSVOFA-NEPJUHHUSA-N 295.383 0.549 0 50 CCAA Cc1ccc(C(=O)N2CC[C@H](N)C2)cc1S(C)(=O)=O 132364857 CYHJGNNNYMMOGP-NSHDSACASA-N 282.365 0.572 0 50 CCAA CNC(=O)Cn1cc(-c2ccc(S(C)(=O)=O)cc2)cn1 426389693 NTQZWFZUJJFHDO-UHFFFAOYSA-N 293.348 0.700 0 50 CCAA NCCCOc1cc(Cl)ccc1C(=O)N1CC(O)C1 426441685 BXIFJUDPTNLHQH-UHFFFAOYSA-N 284.743 0.884 0 50 CCAA CC1(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)COC1 95499202 ROUKXDACGGMGLH-UHFFFAOYSA-N 299.352 0.492 0 50 CCAA Cc1c(C(=O)OC[C@H](C)O)[n+](=O)c2ccccc2n1O 526055752 QBSCHOUVVWWNJY-QMMMGPOBSA-N 279.272 0.639 0 50 CCAA C[C@@H](OCC(F)(F)F)C(=O)N1CCO[C@@H](CC(=O)O)C1 299747803 FCUBVEHOQOGTLE-SFYZADRCSA-N 299.245 0.656 0 50 CCAA O=C(NCCn1cccn1)c1ccc(Cn2cnnn2)cc1 253413413 USOGDQBWFBIFLL-UHFFFAOYSA-N 297.322 0.348 0 50 CCAA Cn1cc(S(=O)(=O)Cc2cc(Cl)n(C)n2)cn1 2325758815 YWWUPBWRYNFWJA-UHFFFAOYSA-N 274.733 0.781 0 50 CCAA CCn1cc(S(=O)(=O)NC[C@@H](C)n2cc(C)cn2)cn1 534658087 WCFFUFDSORURGV-LLVKDONJSA-N 297.384 0.947 0 50 CCAA O=C(NCCn1cncn1)[C@H]1CCCCN1C(=O)C1CC1 299770829 RVFFLGVEWAHLOZ-GFCCVEGCSA-N 291.355 0.185 0 50 CCAA O=C1N[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 299886890 XYDSJAMKIWEAES-NNYUYHANSA-N 268.272 0.477 0 50 CCAA CS(=O)(=O)c1ccc(CN2C[C@@H]3CCN[C@@H]3C2)cc1 97805689 GVZOHEKQVNDZEW-GXTWGEPZSA-N 280.393 0.884 0 50 CCAA CCCCS(=O)(=O)N1CC[C@H](CC(=O)NC)C1 822877544 ABNPWPZEANEOES-SNVBAGLBSA-N 262.375 0.574 0 50 CCAA CN1C[C@H](C(=O)N(C)CC2(CO)CCCC2)CCC1=O 584899577 BTSMUSLNVSKYNQ-GFCCVEGCSA-N 282.384 0.866 0 50 CCAA COCC1(CNC(=O)CN(C)C2CCNCC2)CCC1 584891214 RHGFLMDXLLABEK-UHFFFAOYSA-N 283.416 0.603 0 50 CCAA Cc1cc(C(=O)NCCn2cnc(C)c2C)n(C)n1 670449841 HUULRCCXWYFMMA-UHFFFAOYSA-N 261.329 0.972 0 50 CCAA O=C(N1CCCn2nncc2C1)[C@]12CC[C@H]1CNC2 1342378818 HAYWBGVVAMLPLP-GWCFXTLKSA-N 261.329 0.010 0 50 CCAA O=C(N[C@H](CCO)C1CCCCC1)c1c[nH]nn1 130148510 GGSBTAULIDKWLZ-SNVBAGLBSA-N 252.318 0.866 0 50 CCAA CC1=C(C(=O)N[C@H](C)c2n[nH]c(C)n2)OCCO1 952974759 BPHQHYNEXCHKJZ-ZCFIWIBFSA-N 252.274 0.569 0 50 CCAA CNc1nc(N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2NC(C)=O)ncc1F 1565508252 KKQLFAXNRDJARL-VFRUTBLMSA-N 295.318 0.361 0 50 CCAA O=C([C@@H]1COc2ccc(O)cc2O1)N1CC[C@H](O)C1 631607947 NDTHYXNHJLSJTO-CABZTGNLSA-N 265.265 0.125 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1n[nH]c(OC)n1 277293778 JFLXHADRZQICEB-YUMQZZPRSA-N 254.290 0.957 0 50 CCAA O=C(CO)NC[C@@H]1CSCCN1Cc1ccccc1 277476406 ZPIKUGJPDKUZAF-CYBMUJFWSA-N 280.393 0.713 0 50 CCAA CNC(=O)CNC(=O)c1cc(C)n(-c2ccccc2)n1 170623607 LWFCMAPSDZHAGL-UHFFFAOYSA-N 272.308 0.657 0 50 CCAA CCc1ncc(CN2CCC[C@]2(COC)C(=O)NC)cn1 643765769 BMPRMFYEEMARFF-HNNXBMFYSA-N 292.383 0.766 0 50 CCAA CC1(C)C[C@@H]1NC(=O)N1CC[C@@H](n2cc(C(N)=O)nn2)C1 644329878 UBLFGJMMYFNGSS-SCZZXKLOSA-N 292.343 0.132 0 50 CCAA Cc1noc2ncnc(N3CCO[C@@]4(CCOC4)C3)c12 192534059 ZSZTZGFDJDQGEQ-ZDUSSCGKSA-N 276.296 0.922 0 50 CCAA O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CCCCO1 655600359 DNMXBGHWXCRYBW-RYUDHWBXSA-N 278.308 0.763 0 50 CCAA Cc1cc(CS(=O)(=O)N[C@H]2C[C@@H](O)C23CCC3)no1 657183554 CRNDOAVNZUNZEY-WDEREUQCSA-N 286.353 0.706 0 50 CCAA COCc1ncsc1C(=O)N1CCNC[C@H]1C(F)F 571396093 ASLDNRHERGXUJA-QMMMGPOBSA-N 291.323 0.969 0 50 CCAA Cn1ncc(CN2CCOC[C@@H]2C(=O)O)c1C(F)(F)F 579721762 CBMDRHOTJCFMCI-MRVPVSSYSA-N 293.245 0.724 0 50 CCAA CC1(C)CN(c2cncc3ncnn23)C[C@]2(CCOC2)O1 684601924 HKMIKRYVFGUNHV-AWEZNQCLSA-N 289.339 0.899 0 50 CCAA Cc1ccc(CC(=O)N[C@H](C(=O)O)C2CCOCC2)cn1 1615556844 FSCOIAARDSDROY-AWEZNQCLSA-N 292.335 0.929 0 50 CCAA O=S(=O)(N[C@@H](CO)c1ccccn1)N1C[C@H]2CC[C@H]1C2 1616036311 ISMOAYYNFSXJSU-GVXVVHGQSA-N 297.380 0.434 0 50 CCAA CCOC(=O)N1CCN(CC[C@@H]2COCCO2)CC1 1800411406 JHJUKQSHCVVAMM-GFCCVEGCSA-N 272.345 0.566 0 50 CCAA O=C(NC1(CO)CC=CC1)[C@H]1CCc2ncnn2C1 1857732810 ICEPXGPFLUUVHJ-JTQLQIEISA-N 262.313 0.038 0 50 CCAA COc1nc(N2C[C@@H]3COCC[C@]3(CO)C2)ncc1F 1772704575 UWILMVXSEPSEMI-NOZJJQNGSA-N 283.303 0.460 0 50 CCAA CC(C)N1C[C@H](CN2CCNC(=O)CC2)CCC1=O 1772808265 KQCKBEBJGHBBGP-LBPRGKRZSA-N 267.373 0.455 0 50 CCAA Cc1cccc(CC(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)c1 1772707007 XMBWWODKKAAGRZ-OKILXGFUSA-N 275.348 0.597 0 50 CCAA Cc1cn2nc(C(=O)NCCc3ccccn3)cc2c(=O)[nH]1 206646577 QYFOUARGWQDCAS-UHFFFAOYSA-N 297.318 0.699 0 50 CCAA CN1C(=O)NCC12CN(C(=O)c1cn3ccsc3n1)C2 1857668435 ROWNHFFPSVMKII-UHFFFAOYSA-N 291.336 0.245 0 50 CCAA O=C1C[C@H]2CN(S(=O)(=O)Cc3ccc(F)cc3)C[C@H]2N1 1857674049 PJCARUZWQMCMPU-CMPLNLGQSA-N 298.339 0.476 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCCn1ccnc1 100626662 XKOJXENWDLLGAY-RVMXOQNASA-N 289.335 0.912 0 50 CCAA CN[C@H]1CCCN(Cc2cc(=O)n3nccc3[nH]2)C1 330362972 HKJWKFHIJTVABU-JTQLQIEISA-N 261.329 0.206 0 50 CCAA CCOC[C@@H](C)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 328646228 SOLIDXNQNWBGCK-CHWSQXEVSA-N 294.399 0.764 0 50 CCAA Cn1cc([C@]2(C)CN(C(=O)[C@](C)(N)C3CC3)CCO2)cn1 237714558 GQNNXBCRRZRAKS-LSDHHAIUSA-N 292.383 0.622 0 50 CCAA CCc1cc(CNS(=O)(=O)CC[C@H]2CCOC2)n[nH]1 815014919 CLUPJMLHSHJDAN-SNVBAGLBSA-N 287.385 0.818 0 50 CCAA CC(C)(O)CC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 907953069 NITCGISLTBJQMW-AATLWQCWSA-N 255.314 0.763 0 50 CCAA CCC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)CO)C1=O 1120855804 TYRKTHUFDIWFDG-WFASDCNBSA-N 292.335 0.587 0 50 CCAA C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H](N)CC(C)(C)C 1875291369 WSUXOHIDPRWEPL-VHSXEESVSA-N 278.418 0.689 0 50 CCAA Cc1cnc(CNC(=O)[C@H]2NCCc3c2cnn3C)s1 1875392611 KIPBXYSXHDPDDW-LBPRGKRZSA-N 291.380 0.688 0 50 CCAA O=C(NCC1OCCO1)N1CC[C@]2(C1)OC[C@@H]1C[C@H]12 1875329440 WKIYVEATJNNIGB-OPQQBVKSSA-N 268.313 0.180 0 50 CCAA Cn1c(C(N)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1776006633 YPGIDMURIWQABE-SNVBAGLBSA-N 279.344 0.167 0 50 CCAA COC[C@H]1CN(C(=O)c2ccc(C(=O)O)cc2)CCO1 262304657 OKLWPNSNEIVTBV-GFCCVEGCSA-N 279.292 0.872 0 50 CCAA Cc1nc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)no1 900478539 WPQRZXNDZIBFHV-GHMZBOCLSA-N 258.281 0.733 0 50 CCAA Cc1ccccc1S(=O)(=O)N1CC2(CN(C)C2)C1 1254584522 UYKZDBRAVMINNE-UHFFFAOYSA-N 266.366 0.931 0 50 CCAA NC(=O)[C@H]1CCN(C(=O)CCCc2nc(C3CC3)no2)C1 2325735069 UFDLJVXECAJCFU-JTQLQIEISA-N 292.339 0.604 0 50 CCAA O=C([C@@H]1Cc2ccccc2O1)N1CCn2nccc2[C@@H]1CO 2325810968 TYCSZUXEVPDFAK-ZFWWWQNUSA-N 299.330 0.762 0 50 CCAA COC(=O)CC[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O 1710417 YCBFAGMROPHMRR-SNVBAGLBSA-N 291.259 0.689 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 4855997 LZBXMORZXQHGHH-UHFFFAOYSA-N 268.338 0.878 0 50 CCAA O=C(CO)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 225536170 RIELSRLCEXBBOG-GZMMTYOYSA-N 257.236 0.591 0 50 CCAA COC(=O)[C@@H](C(C)C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100304261 OPRFJHWXEZHHLK-KKJSVHSVSA-N 277.320 0.991 0 50 CCAA Cc1cc(CN2CCC[C@H]2C(=O)N2CCOCC2)on1 67738533 PRZJAUILRILFTF-ZDUSSCGKSA-N 279.340 0.806 0 50 CCAA O=C(NCC(F)(F)F)c1cn(C[C@H]2CCCNC2)nn1 65405288 FNXNYXDXTUMDGT-QMMMGPOBSA-N 291.277 0.570 0 50 CCAA c1ccc(OCCOCCN2CCNCC2)cc1 20272697 JCSSXESIMUMETL-UHFFFAOYSA-N 250.342 0.987 0 50 CCAA CNC(=O)CCc1cccc(N2C[C@@H](C(=O)O)CC2=O)c1 65452039 CGTKGCVZVWILRM-NSHDSACASA-N 290.319 0.803 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(C[C@@H]3CCCO3)C[C@@H]2C)CC1 229306990 QETRANVCDIKPDR-CWRNSKLLSA-N 295.427 0.650 0 50 CCAA C[C@H](Cn1cncn1)NCc1ccc2nonc2c1 65407077 YEUWEPXJCCJGPK-SECBINFHSA-N 258.285 0.993 0 50 CCAA CCOC(=O)c1cccnc1N1CCN2CCOC[C@@H]2C1 328587329 BSTKATMQDOZVQF-LBPRGKRZSA-N 291.351 0.779 0 50 CCAA CN(C)c1ncc(CN2CCCC[C@@H]2CO)cn1 216338683 GVRRANCFYUFVES-GFCCVEGCSA-N 250.346 0.889 0 50 CCAA O=C(c1c[nH]c2ncccc12)N1CCS(=O)CC1 329349107 CXLJDCMBPPAAOI-UHFFFAOYSA-N 263.322 0.767 0 50 CCAA Cc1ccn2ncc(C(=O)N3CC(n4ccnn4)C3)c2n1 329410674 AJWLJAVCLSIQEB-UHFFFAOYSA-N 283.295 0.326 0 50 CCAA O=C([C@H]1CCC(O)=N1)N1CCO[C@@H](COCC2CC2)C1 330131724 LBDDHBDRIGAJFH-VXGBXAGGSA-N 282.340 0.759 0 50 CCAA Cc1nc2ncccn2c1C(=O)N[C@@H]1CC[C@@H](N)C1 71751813 KIFJUFWVTKJQCD-NXEZZACHSA-N 259.313 0.647 0 50 CCAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)C)C1 72437175 PPHLVYKOQZAIIK-JTQLQIEISA-N 291.417 0.420 0 50 CCAA C[C@]1(C(=O)N[C@H]2CCc3nnnn3CC2)C[C@H]1F 333367388 DXRNGOFIGJMNRN-RNSXUZJQSA-N 253.281 0.242 0 50 CCAA O=C(C(=O)N1CC[C@]2(CCOC2)C1)N1CC[C@H](C2CC2)C1 336282175 CLUKIIGKKJCNHK-BBRMVZONSA-N 292.379 0.884 0 50 CCAA COCc1noc(CCNC(=O)Cc2csc(C)n2)n1 72439339 AUIFPKAMUDQQBZ-UHFFFAOYSA-N 296.352 0.882 0 50 CCAA Cc1noc([C@@H]2CN(C(=O)c3cn[nH]c3C)CCN2C)n1 284716108 RXTDZGKIYDGUQJ-NSHDSACASA-N 290.327 0.538 0 50 CCAA COCc1cc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)no1 173448511 NLSFPQXXLZQCAH-SECBINFHSA-N 276.296 0.831 0 50 CCAA CC(C)CN1CCN(C(=O)c2cccc(N)n2)[C@H](C)C1=O 223166980 XFQZATBBDASWGI-LLVKDONJSA-N 290.367 0.993 0 50 CCAA O=C1C[C@@]2(CCN(C(=O)CCc3ccccn3)C2)C(=O)N1 82096600 CYHCOPYUXMKYFW-OAHLLOKOSA-N 287.319 0.279 0 50 CCAA CCNC(=O)c1ccc(N(C)C[C@@H](C)C(=O)O)nc1 263561331 RTFFASSWZTURPP-SECBINFHSA-N 265.313 0.988 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cnc(C)nc2)[C@@H]2CCO[C@@H]21 220707671 CSUULRDALJFVKY-CYDGBPFRSA-N 277.324 0.565 0 50 CCAA CNC(=O)c1n[nH]c(-c2cccc(OC)c2OC)n1 426409325 NDPVCZVFXMIOMH-UHFFFAOYSA-N 262.269 0.849 0 50 CCAA CN(C)Cc1csc(CN2C[C@H](O)[C@@H](N(C)C)C2)c1 97660493 JHRJXSITQKEGBU-KBPBESRZSA-N 283.441 0.916 0 50 CCAA COc1cccn(CC(=O)N(C)C[C@H]2CCCCO2)c1=O 95520850 DFFSALZXRXQYJD-GFCCVEGCSA-N 294.351 0.884 0 50 CCAA Cc1cnc(N)nc1N[C@H]1CN(C(C)C)C[C@@H]1O 91690177 IMWOPDQTHUTBGD-UWVGGRQHSA-N 251.334 0.233 0 50 CCAA O=C(CCc1ccncc1)NCCN1CCCC[C@H]1CO 97394425 IDHXFGFKBDBTMH-HNNXBMFYSA-N 291.395 0.977 0 50 CCAA OCc1ccnc(N2CC[C@@]3(O)CCNC[C@H]3C2)c1 95388995 BQHPETPRZCDTIT-JSGCOSHPSA-N 263.341 0.125 0 50 CCAA O=C(CCCN1CCCCC1=O)NCc1nc[nH]n1 244764102 PBJOBFRFSWWDNE-UHFFFAOYSA-N 265.317 0.214 0 50 CCAA CCc1nccn1CCN1CCN(c2nc[nH]n2)CC1 244715966 LFVZMSYRFMFIAQ-UHFFFAOYSA-N 275.360 0.386 0 50 CCAA COc1ccc(NC2=CC(=O)NC2)cc1-n1cnnn1 524734888 HBKQIURIHGUMNW-UHFFFAOYSA-N 272.268 0.097 0 50 CCAA C[C@H](OCC1CC1)C(=O)N1CCOC[C@@H]1C(=O)O 299748117 GCTZRIYTBIDHPL-WCBMZHEXSA-N 257.286 0.114 0 50 CCAA COCC1(CNC(=O)N(C)Cc2nnc(C)o2)CC1 534637060 DOVDTDIYPSJGQK-UHFFFAOYSA-N 268.317 0.946 0 50 CCAA Cn1ccnc1[C@@H]1[C@@H](C(N)=O)CCC(=O)N1C1CC1 536948685 RZUQEHYDNIYURQ-ONGXEEELSA-N 262.313 0.348 0 50 CCAA Cc1nc[nH]c1C(=O)NCC1(CO)CCOCC1 534637732 LLAVAMYVYQYTCV-UHFFFAOYSA-N 253.302 0.237 0 50 CCAA CCCc1cc(CN(C)C(=O)c2nc(=O)n(C)[nH]2)n[nH]1 1940195151 GKLMUNWSBBSHCL-UHFFFAOYSA-N 278.316 0.056 0 50 CCAA Cc1nccn1CC[C@H](C)NCCc1ncnn1C 821182069 RMJIREHGESKGCB-NSHDSACASA-N 262.361 0.931 0 50 CCAA CC1CCN([C@H](C)c2n[nH]c(CC(N)=O)n2)CC1 822182658 AYTOJTSQOOQPDA-SECBINFHSA-N 251.334 0.625 0 50 CCAA O=C1NC2(CC2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12 828301429 CDOGAOMZPRQEFP-LBPRGKRZSA-N 269.304 0.858 0 50 CCAA CN1CCOC[C@@H](Cn2cnc3cccnc3c2=O)C1 584899478 YYNXIOITYZEMKE-LLVKDONJSA-N 274.324 0.370 0 50 CCAA Cn1nc(CO)c2c1CCN(C1CCOCC1)C2 584897934 LKWFHQYZMMQTBJ-UHFFFAOYSA-N 251.330 0.450 0 50 CCAA CC(C)OCC(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 584902286 HDBCTXJUPJTOHV-UHFFFAOYSA-N 282.340 0.457 0 50 CCAA CCCc1ncncc1C(=O)N[C@@H]1CCS(=O)(=O)C1 584893293 MWSJETYKPFUJNK-SECBINFHSA-N 283.353 0.346 0 50 CCAA O=C(CC1CCNCC1)N[C@@H]1CCc2c[nH]nc2C1 584894526 CHIJQBPTGKISKU-GFCCVEGCSA-N 262.357 0.773 0 50 CCAA COC(=O)[C@@H](C)NC(=O)c1ccnc(-n2cccn2)c1 163624670 KFIORJYUUMBKTG-SECBINFHSA-N 274.280 0.559 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCNC(=O)[C@H]2c2ccccc2)C1 269211975 CWFMOGFLJZHYAK-BFHYXJOUSA-N 287.363 0.814 0 50 CCAA COCCN1CCCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1=O 190874065 BYUZVVXNLDGRRF-OLZOCXBDSA-N 298.383 0.509 0 50 CCAA CN(C)c1nccc(=NC[C@@H](CO)[C@@H]2CCOC2)[nH]1 571349488 YFYDIJYFMDEOOU-MNOVXSKESA-N 266.345 0.021 0 50 CCAA CC(C)(C)OC(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 585139552 WWGZCQOWPXEVQH-WRWORJQWSA-N 293.341 0.399 0 50 CCAA Cc1nc(CN2CC[C@@H](C(N)=O)C2)c2ccccn12 585117680 RHXKXLPLZPSWJB-LLVKDONJSA-N 258.325 0.950 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCC[C@H](C2(O)CC2)C1 1772808848 COTYOUDZMXNDBT-JTQLQIEISA-N 275.370 0.185 0 50 CCAA Cn1nnc(-c2ccc(C(=O)Nc3nccn3C)cc2)n1 1506425775 RGNPROFGYFCVTQ-UHFFFAOYSA-N 283.295 0.863 0 50 CCAA O=C(CCSCc1ccc(F)cc1)N[C@H]1CNC[C@@H]1O 210209331 LVSMRSUMQOCICT-STQMWFEESA-N 298.383 0.898 0 50 CCAA Cn1nc2c(c1NC(=O)[C@@H]1CCCN1)CSC2 1529099384 WNQBYNOUFIHUKP-QMMMGPOBSA-N 252.343 0.857 0 50 CCAA Cc1c[nH]ccc1=NCCNc1nc(N)[nH]c2ncnc1-2 1529158430 CRCUXKPTNQNTRZ-UHFFFAOYSA-N 284.327 0.536 0 50 CCAA CN(C)C(=O)NCC(=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704358222 GTEPZRCXGCFJSQ-BXUZGUMPSA-N 283.372 0.411 0 50 CCAA Cn1ncc2c(O)nc(CN3C[C@H]4C[C@@]4(C)C3)nc21 1772814509 CSCLOCZGIHIUQG-OQPBUACISA-N 259.313 0.911 0 50 CCAA CN(CCCCN1CCOCC1)CC[C@H]1COCCO1 1775981361 RGZAWDHFGNHHLX-HNNXBMFYSA-N 286.416 0.836 0 50 CCAA COC(C)(C)CCNC(=O)c1cnc(C(N)=O)cn1 1772712799 ZCNQIANEZRRZDN-UHFFFAOYSA-N 266.301 0.120 0 50 CCAA CN1CCNC(=O)[C@H]1CC(=O)N1CCCCCCC1 15078444 RHBNHXLPAUAZJY-GFCCVEGCSA-N 267.373 0.599 0 50 CCAA O=c1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2o1 528145 XGHIAGQGHAGULM-UHFFFAOYSA-N 295.316 0.814 0 50 CCAA Nc1c(O)nc(O)nc1C(=O)N1C[C@H]2CCCC[C@@H]2C1 408369808 CBADLJOWOWNMIJ-HTQZYQBOSA-N 278.312 0.732 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H](N)C[C@H]1C 408519127 APLSFQPWJNOJKR-XQHKEYJVSA-N 270.373 0.909 0 50 CCAA O=c1[nH]c2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2 1606495 CTFWHSOMLHCMRJ-UHFFFAOYSA-N 257.293 0.622 0 50 CCAA in-vitro CC(=O)NC[C@H]1CN(C(=O)[C@@H](N)c2ccccc2)CCO1 236662095 TXVLJVPANTVLFW-KBPBESRZSA-N 291.351 0.050 0 50 CCAA O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cncnc1 1875261023 JUMLKSZSQUYRJA-UHFFFAOYSA-N 288.311 0.200 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1ccn(C2CCCC2)n1 262083566 FNLOJCCHLHHVOI-GFCCVEGCSA-N 293.323 0.924 0 50 CCAA COc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)ccc1C 262030437 XLRVURPIIYHQRA-RISCZKNCSA-N 278.352 0.997 0 50 CCAA CC1(C(=O)O)CCN(C(=O)NCCc2cnccn2)CC1 389954339 ODQZFZGMBHJKPC-UHFFFAOYSA-N 292.339 0.915 0 50 CCAA CC(C)[C@@H](NCc1nncs1)C(=O)N1CCOCC1 1875271366 YFHLFOQVJXLNCU-LLVKDONJSA-N 284.385 0.511 0 50 CCAA O=C1C[C@@H](NC(=O)COCc2cccc(Cl)c2)C(=O)N1 1875295590 KLWJLQYYPQEAMB-SNVBAGLBSA-N 296.710 0.388 0 50 CCAA CO[C@@H]1C[C@@H]2C[C@H](C(=O)NCCc3nc(O)n[nH]3)C[C@@H]21 1875280471 MLPIQVJVIRUANS-AATLWQCWSA-N 280.328 0.230 0 50 CCAA CCc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)[nH]1 1875280615 AVJOANRREZIPKT-CYBMUJFWSA-N 251.330 0.374 0 50 CCAA Cc1cc2[nH]c(=O)c(C(=O)N3C[C@@H]4C[C@H]3[C@H]3C[C@H]34)cn2n1 1875302443 QSQRNRRWNSYYBE-GMOBBJLQSA-N 284.319 0.811 0 50 CCAA Cc1nn(C)c(C)c1-c1cc(C(=O)NS(C)(=O)=O)n[nH]1 1875390246 CGBQILLOOUNHJL-UHFFFAOYSA-N 297.340 0.116 0 50 CCAA COC(=O)[C@H](OC)C1CCN(C(=O)C2CC2)CC1 1875308578 MMQKHJVENWUZFG-LLVKDONJSA-N 255.314 0.823 0 50 CCAA CN1CC2(C1)CN(C(=O)CCC(=O)Nc1nncs1)C2 1177449552 QZFLPGDPDKZFMK-UHFFFAOYSA-N 295.368 0.031 0 50 CCAA COc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2)c1OC 151100420 DCZZYSPIQVQCHX-QWRGUYRKSA-N 280.324 0.043 0 50 CCAA COc1ncccc1CNC(=O)NCCCC(=O)O 262901704 CVOZYEZYYLODHH-UHFFFAOYSA-N 267.285 0.754 0 50 CCAA Nc1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)[nH]n1 80639648 NAMSJHARGVJXSK-SNVBAGLBSA-N 263.345 0.692 0 50 CCAA CC1(C)CC[C@H](CO)N(C[C@H](O)Cn2cccn2)C1 621377852 HXYCLJIDBUCMBV-OLZOCXBDSA-N 267.373 0.727 0 50 CCAA Cn1cc(CN2CCN(C(=O)C3CCC3)CC2)cn1 342998166 ISQFDSOPRSMIPT-UHFFFAOYSA-N 262.357 0.864 0 50 CCAA C[C@H]1C[C@H](C)CN(C(=O)c2ccn(Cc3nn[nH]n3)n2)C1 2325806736 CYWJUXUPMOKILV-UWVGGRQHSA-N 289.343 0.563 0 50 CCAA O=C(CSCc1nn[nH]n1)N1CCC[C@@H]2CC[C@@H]21 2325806975 RCPYHQJLOPBGCR-BDAKNGLRSA-N 267.358 0.834 0 50 CCAA O=C(NC(=S)N[C@H]1CCSC1=O)c1ccco1 1797821 HMYADISTWYIYBT-LURJTMIESA-N 270.335 0.916 0 50 CCAA Cc1nn(C)cc1CC(=O)N1C[C@H]2COC[C@@H](C1)CN2C 2356160595 ZKEJJIQQPDYYOB-OCCSQVGLSA-N 292.383 0.060 0 50 CCAA Cc1nnnn1-c1cccc(NC(=O)c2nccnc2N)c1 114679106 VTVLUOABZSJHDX-UHFFFAOYSA-N 296.294 0.595 0 50 CCAA CCN1C[C@@H](NC(=O)N(C)CC2(O)CCC2)CC1=O 331586084 MFIWKKHKHPFHGI-JTQLQIEISA-N 269.345 0.164 0 50 CCAA Cn1nnc2c(C(=O)N3CCC(F)(F)C3)ccnc21 328763994 ZUSIXONZGIJJIM-UHFFFAOYSA-N 267.239 0.845 0 50 CCAA CCc1nn(C)c(Cl)c1CN1CC[C@H](CO)[C@@H](O)C1 72148251 VZLQKGDHJWHMOE-SKDRFNHKSA-N 287.791 0.811 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 35982061 FIFVSQIZNIIPJZ-UHFFFAOYSA-N 297.380 0.581 0 50 CCAA CN(CCCc1cnn(C)c1)C[C@]1(O)CCCNC1 72478259 IUAMIVOYRDOMJW-AWEZNQCLSA-N 266.389 0.399 0 50 CCAA Cn1ccnc1CCN1C[C@H](O)[C@@H](N2CCCC2)C1 670449211 OYWMSPUMHSCUJK-STQMWFEESA-N 264.373 0.104 0 50 CCAA C[C@H]1CCCN(C(=O)c2ccc(C(N)=O)nc2)[C@H]1CN 156973107 SJQODZLRMVMNHS-CABZTGNLSA-N 276.340 0.380 0 50 CCAA CC(C)[C@@H]1C(=O)N(C)CCN1C(=O)c1cccn(C)c1=O 215801878 FYFWXTNJDLJTJS-GFCCVEGCSA-N 291.351 0.324 0 50 CCAA Cc1ccc(O)c(NC(=O)[C@@]2(C)CCCNC2=O)n1 373786045 GKBRLNWCUVIMJO-ZDUSSCGKSA-N 263.297 0.950 0 50 CCAA CN(CC(=O)O)Cc1cnc(N2CCCCC2)nc1 218623353 BITRVXYVWIETDT-UHFFFAOYSA-N 264.329 0.983 0 50 CCAA C[C@@H](C(=O)NCCN(C)S(C)(=O)=O)n1cccc1 71760653 IXSBETCWLQHPIR-JTQLQIEISA-N 273.358 0.057 0 50 CCAA CN(C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12)C1CC1 336575250 BFWHFSGZAPKCFP-QWRGUYRKSA-N 251.330 0.944 0 50 CCAA CCn1ccc(C(=O)N2CC[C@](O)(CN(C)C)C2)cc1=O 72153337 XZXWLGZSELJUKS-HNNXBMFYSA-N 293.367 0.007 0 50 CCAA Cc1ccnc(N2CCC[C@](O)(Cn3ccnn3)C2)n1 284700205 JSMRILKAISNCJO-CYBMUJFWSA-N 274.328 0.408 0 50 CCAA N[C@@H](CO)C(=O)N1CCC(c2nccn2CC2CC2)CC1 82096484 PPMKECYCVCCLHD-ZDUSSCGKSA-N 292.383 0.319 0 50 CCAA CCc1nccn1CC(=O)N[C@@H](C)Cn1cccn1 220732679 RBYOMTHMALBFGO-NSHDSACASA-N 261.329 0.847 0 50 CCAA C[C@@H]1CN(C2CCN(Cc3nccc(N)n3)CC2)CCO1 177947286 HYHVLRAFTFCXQO-GFCCVEGCSA-N 291.399 0.744 0 50 CCAA C[C@@H](O)[C@@H]1CN(C(=O)c2nc[nH]c3nccc2-3)CCO1 616322263 DMXVMPKQEJNAEG-SCZZXKLOSA-N 276.296 0.131 0 50 CCAA CN(C)C/C=C/C(=O)NCCN1C(=O)Cc2ccccc21 265629307 IXYWOTNCTBUQDZ-VMPITWQZSA-N 287.363 0.810 0 50 CCAA CCN1C[C@@H](C(=O)NCCCn2ccnn2)CCC1=O 91412093 MUBNWHOCWPYRTK-NSHDSACASA-N 279.344 0.043 0 50 CCAA CCN1C[C@H](C(=O)NCCCn2ccnn2)CCC1=O 91412089 MUBNWHOCWPYRTK-LLVKDONJSA-N 279.344 0.043 0 50 CCAA Cc1c[nH]c(CN2CCN(C)[C@@]3(CCNC(=O)CC3)C2)n1 91657112 PBXPJZRVPPPGKV-HNNXBMFYSA-N 291.399 0.504 0 50 CCAA O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)NC1CC1 95117654 AUHNULQEOXPZQB-LLVKDONJSA-N 270.292 0.852 0 50 CCAA CN1CCCN(CCC(=O)N2CC(C)(C)[C@@](C)(O)C2)CC1 91643268 VWLFLEHPJNRGDA-INIZCTEOSA-N 297.443 0.633 0 50 CCAA Cc1nnnn1-c1cccc(C(=O)N[C@@H](CO)C(C)C)c1 252508252 XIGMJGJMHXNLHT-ZDUSSCGKSA-N 289.339 0.717 0 50 CCAA CN(C)C[C@@H]1CCN(S(=O)(=O)N2CCCCC2)C1 358505300 SGZRWYCTQYYYKH-LBPRGKRZSA-N 275.418 0.601 0 50 CCAA Cc1cc(C(=O)N2C[C@H]3C[C@@H]3C2)nc2nc(O)nc(O)c12 628508958 DCRUAMGBSORKES-HTQZYQBOSA-N 286.291 0.836 0 50 CCAA C[C@H]1CNCC[C@H]1NS(=O)(=O)CCOc1ccccc1 534647179 CAHIJIJDQHICSC-GXTWGEPZSA-N 298.408 0.983 0 50 CCAA COCC(C)(C)CNC(=O)c1c[nH]c2cc(C)nn2c1=O 534665530 AUQFXEYJDTXJSN-UHFFFAOYSA-N 292.339 0.733 0 50 CCAA Cc1occc1C(=O)N1CCN2C(=O)OC[C@@H]2C1 371993183 SDWNWMQETDAYHY-VIFPVBQESA-N 250.254 0.865 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@H](C)c1c(C)nn(C)c1C 299766999 GQKYNEWKOGAROV-ZCFIWIBFSA-N 262.317 0.954 0 50 CCAA Cc1nonc1CC(=O)NCCN=c1cc[nH]cc1C 827856023 APQHNGHJGAOUHE-UHFFFAOYSA-N 275.312 0.274 0 50 CCAA CO[C@H](C)C(=O)N1CCC(CNC(=O)c2ccon2)CC1 824230172 HQXBIZZMZRMFJD-SNVBAGLBSA-N 295.339 0.678 0 50 CCAA CCCn1nccc1C(=O)NCCc1nc(N)cc(O)n1 584891827 WAPBPTIWYLFHGK-UHFFFAOYSA-N 290.327 0.343 0 50 CCAA C[C@@H](NC(=O)C1(Cn2ccnc2)CC1)C(C)(C)O 670453644 JZSAKUBMNBFKSL-SNVBAGLBSA-N 251.330 0.939 0 50 CCAA CC(C)N1CCN(c2cncc(C(N)=O)n2)C[C@H]1C 670452519 WLYQOECHOFGYKO-SNVBAGLBSA-N 263.345 0.494 0 50 CCAA CCn1cnc2c(NCCc3nnc[nH]3)ncnc21 268661701 XEHWZBVYQPQGNI-UHFFFAOYSA-N 258.289 0.619 0 50 CCAA Cc1ccc(F)c(C(=O)N[C@@H]2CCNC[C@H]2O)c1F 77541172 SAJVUOGPXFQWKO-NXEZZACHSA-N 270.279 0.726 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1cncc(F)c1 165201277 TXIFUBLQCZEMKF-VIFPVBQESA-N 254.217 0.146 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccncc1F 643950164 BFZJVAURICFWTO-AWEZNQCLSA-N 295.314 0.588 0 50 CCAA CC(C)n1ccc(CN2CC[C@@](O)(Cn3ccnn3)C2)n1 671552204 DEPAOACLWRNWBU-AWEZNQCLSA-N 290.371 0.693 0 50 CCAA C[C@H](C(=O)Nc1nnc(C(C)(C)C)s1)S(N)(=O)=O 1615055480 NZBMCXCSCCSGQS-RXMQYKEDSA-N 292.386 0.451 0 50 CCAA Cn1c(=O)n(C)c2cc(/C=C3/NC(=O)NC3=O)ccc21 94624 LDLYWVUBEZLXBM-VMPITWQZSA-N 272.264 0.057 0 50 CCAA Cc1ccn2c(NC(=O)CCN3CCCC3=O)nnc2n1 1529185865 RIADTAFJJYWGOG-UHFFFAOYSA-N 288.311 0.384 0 50 CCAA C[C@H](C(=O)N1CCCN(CCCO)CC1)N1CCCCC1 1529099174 SGSHQCSGRNNAJP-OAHLLOKOSA-N 297.443 0.778 0 50 CCAA COCCOC1CCN(CC(=O)N2CCCC2)CC1 116994481 VPMLIYMUZMPLJY-UHFFFAOYSA-N 270.373 0.736 0 50 CCAA COC1C(OC)C(OC)C(OC)C(OC)C1OC 14556035 HQIAQQCYNCTUPJ-UHFFFAOYSA-N 264.318 0.090 0 50 CCAA in-vitro CCS(=O)(=O)C[C@H](C)N(C)c1nccc(OC)n1 264880494 CMGXLHLXWPVEFM-VIFPVBQESA-N 273.358 0.745 0 50 CCAA Cc1cn(CCNC(=O)c2nsnc2C)nn1 1775978943 REIJIXFIEHKHPY-UHFFFAOYSA-N 252.303 0.176 0 50 CCAA O=S1(=O)CC[C@H](CO)N1CC1CC2(CCC2)C1 1857533423 BBLQGPFLBPAQCY-LLVKDONJSA-N 259.371 0.963 0 50 CCAA O=C(CN1C[C@@H]2CCOC[C@]2(CO)C1)Nc1ccccc1 1857669390 IKBDNVMNSWIRCT-XJKSGUPXSA-N 290.363 0.956 0 50 CCAA CC(C)c1nc(CCN(C)C(=O)[C@H]2C[C@@H](N)[C@H](O)C2)no1 1857725146 KNZMRFCCPSSZLU-HBNTYKKESA-N 296.371 0.292 0 50 CCAA CC[C@]1(C)CN(C(=O)c2ccc3nnnn3c2)CCO1 527481812 OICAEZAURYNQAF-CYBMUJFWSA-N 275.312 0.765 0 50 CCAA CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)C1CC1 328619486 FVXFPLOCXGCIKM-JTQLQIEISA-N 269.370 0.870 0 50 CCAA Cc1cnc(C)c(N2CC[C@@](O)(Cn3ccnn3)C2)n1 671467277 VWXVZKNPJWUEBU-ZDUSSCGKSA-N 274.328 0.326 0 50 CCAA COC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1 4841877 ZLWXOCVODGRYDK-UHFFFAOYSA-N 287.337 0.797 0 50 CCAA COc1ncccc1C(=O)N1CCOC[C@H]1CC(=O)O 129358729 SCMXLNSVVALBFO-SECBINFHSA-N 280.280 0.406 0 50 CCAA O=C(CO)N1CCN(c2c(F)cncc2Cl)CC1 1875286851 JMMKFCRXGNCRKR-UHFFFAOYSA-N 273.695 0.515 0 50 CCAA C=CC(=O)N1CCC(C(=O)NO[C@H]2CCCCO2)CC1 1875369457 OZFIDFMPESBZCZ-ZDUSSCGKSA-N 282.340 0.985 0 50 CCAA Cc1cc(=NC(=O)Cn2c(C(C)C)noc2=O)[nH]o1 1875391551 AQGYAFNDKXYIAQ-UHFFFAOYSA-N 266.257 0.317 0 50 CCAA C=CC(=O)N[C@@H]1CCC[C@@H]1N1CCCN(C)CC1 1875365968 CFZOKGCEKLNUPL-OLZOCXBDSA-N 251.374 0.847 0 50 CCAA CC(C)(C(=O)N1C[C@H](N)C2(CCC2)C1)n1ccc(N)n1 1775962345 GNEFQWOTDPOEGU-JTQLQIEISA-N 277.372 0.540 0 50 CCAA OC1=NCCN1CCN1CC[C@](O)(C(F)(F)F)C1 328673478 PELSGQMVDDCYEG-SECBINFHSA-N 267.251 0.215 0 50 CCAA Cn1nc(C(=O)O)cc1C(=O)N1CCCOC(C)(C)C1 901871084 KTWDFXKQKAUMOL-UHFFFAOYSA-N 281.312 0.759 0 50 CCAA OCc1ccc(-c2n[nH]c(N3CCOCC3)n2)cc1 2100534288 BNWVPEHSWVPUMM-UHFFFAOYSA-N 260.297 0.801 0 50 CCAA OCC1(CO)COC(C(Cl)(Cl)Cl)OC1 1901 QMSJBEPHXPSJPT-UHFFFAOYSA-N 265.520 0.701 0 50 CCAA in-man COc1cc(C=O)ccc1OCC(=O)N1CCOCC1 59499 BQTSMYCTOXDRPF-UHFFFAOYSA-N 279.292 0.745 0 50 CCAA biogenic O=C1N(CCO)CCC[C@@]12CCCN2Cc1cncnc1 2356164301 NVXJKIRSBMZMGG-OAHLLOKOSA-N 290.367 0.426 0 50 CCAA CNc1ncc[nH]c1=N[C@H]1CC[C@@H](C(=O)O)CC1 2356166653 HGJZWFKMWCJYCJ-DTORHVGOSA-N 250.302 0.996 0 50 CCAA Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(N)=O 4867671 TUDHFNDKPOXVBM-UHFFFAOYSA-N 286.353 0.546 0 50 CCAA C[C@H](O)CN1CCN(CC(=O)Nc2ccncc2)C[C@H]1C 247094792 HVHRISYUIODRGS-OLZOCXBDSA-N 292.383 0.407 0 50 CCAA COCCNC(=O)[C@H]1CC(=O)N(c2ccc(O)cc2)C1 10372532 UDWYORWFWWCIFN-JTQLQIEISA-N 278.308 0.508 0 50 CCAA Cc1noc(C)c1-n1c([C@H]2CCCN(C)C2)n[nH]c1=O 65417762 KYUNPNNCCMKSEQ-JTQLQIEISA-N 277.328 0.975 0 50 CCAA CCOC(=O)CN1CCC[C@H](C(=O)N2CCCC2)C1 67804095 RADGXJAUUGGHCK-LBPRGKRZSA-N 268.357 0.884 0 50 CCAA CS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@H](O)C1CCC1 332482389 VKBHJNNGAOHIOT-NWDGAFQWSA-N 289.397 0.573 0 50 CCAA COc1cc(S(=O)(=O)NCCCO)c(OC)cc1C 32497863 WUUTUSIPIPPRDB-UHFFFAOYSA-N 289.353 0.673 0 50 CCAA NC(=O)CN1CCN(C(=S)Nc2ccccc2)CC1 35984827 NNVCBWSZCLWLKH-UHFFFAOYSA-N 278.381 0.486 0 50 CCAA O=C(c1cc(O)nc(C2CC2)c1)N1CC(n2ccnn2)C1 329989083 HSGQGSXGXWCOJV-UHFFFAOYSA-N 285.307 0.953 0 50 CCAA COC(=O)CCNC(=O)COc1cnc(SC)nc1 521394972 JPKVLNAWBHSKJF-UHFFFAOYSA-N 285.325 0.257 0 50 CCAA NC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 72164189 WFYDUVNRFZJNEX-NSHDSACASA-N 299.733 0.655 0 50 CCAA O=C1C[C@]2(CCN(C(=O)C3(O)CCCC3)C2)CN1 336426885 ICAMXZGMRPGOAZ-GFCCVEGCSA-N 252.314 0.030 0 50 CCAA CCCCOc1ncccc1CNC(=O)[C@H]1COC(=O)N1 283652353 CWLUZJZKTGHYTE-LLVKDONJSA-N 293.323 0.985 0 50 CCAA CNC(=O)Cc1noc(CN2CCCC[C@@H]2C(F)F)n1 337519942 OVMXKLWDDYHNKA-MRVPVSSYSA-N 288.298 0.978 0 50 CCAA C[C@@H]1CN(C(=O)Nc2cccnn2)C[C@@]2(CCOC2)O1 242048046 VSGQCELWCUKQOM-ZWNOBZJWSA-N 278.312 0.888 0 50 CCAA C[C@H]1OCCN(CCc2ccccc2F)[C@@H]1C(N)=O 284590159 KPIOEVKVKUQGPZ-MFKMUULPSA-N 266.316 0.943 0 50 CCAA CC1(C)[C@@H](NC(=O)CCc2ccncc2)CS1(=O)=O 606444873 HOHAQLKTJFDBPI-NSHDSACASA-N 282.365 0.706 0 50 CCAA O=C(O)COc1cccc(CNC(=O)[C@@H]2CCCO2)c1 263531821 MUBRLCWNMQCQFZ-LBPRGKRZSA-N 279.292 0.945 0 50 CCAA COC[C@@H]1CCCN1C(=O)c1cnc(OC)nc1 426707211 MPKPSUPXCCDPNF-JTQLQIEISA-N 251.286 0.736 0 50 CCAA C[C@@H](c1nnnn1C)n1ccc(C(F)(F)F)cc1=O 289513591 COTZLIOMHNWJAY-LURJTMIESA-N 273.218 1.000 0 50 CCAA CCC(=O)NCCNc1cc(N(C)C)nc(C)n1 82230220 HCIMVNSRBAQQIH-UHFFFAOYSA-N 251.334 0.789 0 50 CCAA Cc1ccc(-c2ccc(C(=O)N[C@H]3COC[C@@H]3O)cc2)nn1 426599786 SZUXYZAVGJRJIU-GJZGRUSLSA-N 299.330 0.942 0 50 CCAA CN(C(=O)c1cc2ccccc2[nH]c1=O)[C@@H]1CCNC1 179078755 QHRPKBSRUMCSNH-LLVKDONJSA-N 271.320 0.962 0 50 CCAA Cc1ccc(N2CC[C@@H](C(=O)N[C@@H](C)C(=O)O)C2=O)cc1 237471603 BKFNADCPCYKDDB-JQWIXIFHSA-N 290.319 0.937 0 50 CCAA Cc1nn(C)c2nc(N[C@H]3COC[C@@H]3O)sc12 96136854 BDIASRDEMXLANX-BQBZGAKWSA-N 254.315 0.510 0 50 CCAA CN(CCN1CCCC1)Cc1nnc([C@H]2C[C@@H](N)C2)n1C 244701113 KAJXTZUCWNUDNC-BETUJISGSA-N 292.431 0.547 0 50 CCAA CN(CCCn1cnnn1)C[C@@H]1CCCCN1C 244899998 ZUBAEOJYKAARPN-LBPRGKRZSA-N 252.366 0.479 0 50 CCAA CN1CCC2(CC1)CN(C(=O)CCC(=O)O)CCCN2C 534582863 FWEMSMPFRAEOMB-UHFFFAOYSA-N 297.399 0.480 0 50 CCAA CC(C)Cc1noc([C@@H](C)NC(=O)N2CC(O)C2)n1 534667794 NWANUUKHUKMEBM-MRVPVSSYSA-N 268.317 0.715 0 50 CCAA CCCn1cnnc1CNC(=O)Cc1ccncc1 823031326 QJXQRIVPYYBNHR-UHFFFAOYSA-N 259.313 0.942 0 50 CCAA CN(C)C(=O)CC[C@@H]1CCCN(S(C)(=O)=O)C1 827868470 WNFQRTHUSFSTAG-JTQLQIEISA-N 262.375 0.526 0 50 CCAA CC(C)[C@H]1NC(=O)[C@H](CCCCN(C)C)NC1=O 823693048 KGGCCPSBOYOMOS-WDEREUQCSA-N 255.362 0.358 0 50 CCAA CCc1nc(CNC(=O)CCCn2cnnn2)cs1 584892576 LRIKAYYACHKAHZ-UHFFFAOYSA-N 280.357 0.789 0 50 CCAA O=C(NCCN1CCC[C@@H](CO)C1)c1cc(O)ccc1F 584894372 XBGIOOWXIQFFSS-LLVKDONJSA-N 296.342 0.965 0 50 CCAA Cc1nc(NCC[C@@H](O)CO)nc2c1CCCC2 584901900 JBKBEAXZRYXXIM-SNVBAGLBSA-N 251.330 0.819 0 50 CCAA CCc1ncc(S(=O)(=O)N(C)Cc2noc(CC)n2)[nH]1 670448958 QLHITHQGQLHCGE-UHFFFAOYSA-N 299.356 0.738 0 50 CCAA O=C([C@H]1CSCCS1)N1CC(N[C@H]2CCOC2)C1 1363637482 YWIRAENRLSSCBH-GXSJLCMTSA-N 288.438 0.424 0 50 CCAA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1cc[nH]n1 276673323 NIVXNTQFXQOFQE-JOYOIKCWSA-N 275.312 0.651 0 50 CCAA CN1C(=O)CC[C@H](C(=O)NCC(=O)O)[C@@H]1c1ccccc1 170047797 OFIUVQFXQMUYAP-FZMZJTMJSA-N 290.319 0.797 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(c2ccncc2C)C1 643720803 NLGLPFUXAJPZPU-CQSZACIVSA-N 263.341 0.857 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](N2CCCC2=O)C1 195544844 YYXKRRBTYKZTAZ-OBJOEFQTSA-N 281.400 0.973 0 50 CCAA COc1ccc(C(=O)N[C@@H](C(=O)O)C2CCOCC2)cn1 668312543 YRKKJUIJNPWHDR-GFCCVEGCSA-N 294.307 0.700 0 50 CCAA Cc1cc(C)n2ncc(C(=O)N3CCOCC3)c2n1 12849597 HRPFHHGWOIELMB-UHFFFAOYSA-N 260.297 0.819 0 50 CCAA CCC[C@]1(C(=O)O)CCN(CCc2nccn2C)C[C@H]1O 1704325634 OGIBAUXFHSQFHK-DOMZBBRYSA-N 295.383 0.900 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCCc2cnc[nH]2)CC[C@@H]1O 1704337150 XCGSAIJOMJRIEH-ADEWGFFLSA-N 267.329 0.244 0 50 CCAA CC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2CCNC[C@@H]2O)c1C 216837794 SWHGIEWIOPUYKN-NEPJUHHUSA-N 293.367 0.534 0 50 CCAA CC(C)CN1CCN(C(=O)c2cnn[nH]2)[C@@H](C)C1=O 408376601 XHWNOALXJKNNDP-VIFPVBQESA-N 265.317 0.134 0 50 CCAA CC(=O)c1ccnc(N2C[C@@H]3CNC[C@@]3(CO)C2)c1 1772708511 HUFSJGYPWWHWJP-JSGCOSHPSA-N 261.325 0.302 0 50 CCAA CN(C)CCNC(=O)c1ccc(CN2CCOCC2)cc1 13668970 ZYLVODNDVFOOJH-UHFFFAOYSA-N 291.395 0.810 0 50 CCAA CN1C[C@H](NC(=O)c2ccc3c(c2)CCO3)CCC1=O 19840292 JUSCIKIKXSIUNT-GFCCVEGCSA-N 274.320 0.972 0 50 CCAA Cc1c([C@H]2CNC[C@@H]2C(=O)Nc2cnn(C)c2)cnn1C 643641682 OAJJUGDNWJASQQ-OLZOCXBDSA-N 288.355 0.404 0 50 CCAA CCCN1C[C@H](C(=O)N2C[C@@H](F)C[C@H]2CO)CC1=O 332662442 GGUZBOJVTGYCJX-VWYCJHECSA-N 272.320 0.176 0 50 CCAA N[C@@H]1CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 132557510 PJPGABDAXKTYRM-LLVKDONJSA-N 288.351 0.739 0 50 CCAA C[C@H]1[C@H](C)CCCN1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 246666747 YFMCGEAADRXSHU-RHYQMDGZSA-N 283.372 0.849 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(Cc1ccc(F)cc1)C2 1704312474 COBIRKGFZOCQKD-YPMHNXCESA-N 264.300 0.773 0 50 CCAA CC[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)c1nnnn1C 1122037351 JNPVKBLIWBIMFZ-YIZRAAEISA-N 268.321 0.138 0 50 CCAA CC(C)C[C@@H](NC(=O)c1cc(O)n(C)n1)C(=O)O 863981907 UDYHLAFEJSWRHR-MRVPVSSYSA-N 255.274 0.355 0 50 CCAA C[C@@H](Cn1cnnc1)NC(=O)c1cccc(CC(=O)O)c1 1875270873 RRWINOZMMKWALM-JTQLQIEISA-N 288.307 0.724 0 50 CCAA CS(=O)(=O)NC(=O)[C@H]1CCOc2ccccc21 1875390547 FBRYAFXWVHJERY-VIFPVBQESA-N 255.295 0.629 0 50 CCAA O[C@@H]1CCN([C@H]2CCC[C@H]2NCCc2cn[nH]c2)C1 886082446 BODUIVCUUFGCAB-MCIONIFRSA-N 264.373 0.530 0 50 CCAA CC[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CC(=O)NC1=O 1776000045 OCZYFSWFZCTIPT-VHSXEESVSA-N 294.282 0.514 0 50 CCAA COCCN(CC(=O)O)C(=O)C1(COC)CCC1 426549215 UYOLUPBZQXQIPD-UHFFFAOYSA-N 259.302 0.363 0 50 CCAA NS(=O)(=O)C1(CNc2ncc(Cl)cn2)CCC1 721540403 GDQANDBSTWQCNN-UHFFFAOYSA-N 276.749 0.753 0 50 CCAA CN1C(=O)[C@@H](C(=O)NCC2CC(O)C2)Cc2ccccc21 2325781115 MGKLRKOVWNQYIM-KGPNIALWSA-N 288.347 0.709 0 50 CCAA CC[C@H](C)CC(=O)C(=O)NC1(C(N)=O)CCCC1 2325813751 CDWJLPMWEVEBAA-VIFPVBQESA-N 254.330 0.906 0 50 CCAA CCN(CC)C[C@@H](O)CN1C(=O)NC(C)(C)C1=O 112249 NVZJRQFSGFQQHN-SECBINFHSA-N 257.334 0.020 0 50 CCAA O=C(O)CC[C@H](NC(=O)c1ccccc1)C(=O)O 1624515 LPJXPACOXRZCCP-VIFPVBQESA-N 251.238 0.734 0 50 CCAA biogenic,in-vitro COCCNC(=O)C(=O)NCc1ccc(OC)cc1 2979292 QPGTYZVLNOERCG-UHFFFAOYSA-N 266.297 0.074 0 50 CCAA CC(C)OC(=O)[C@@H](C)Sc1nnc(O)[nH]c1=O 3878237 FNHCRHIDFFEOOZ-RXMQYKEDSA-N 259.287 0.303 0 50 CCAA CCOC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(C)=O 225763595 BLSZCEJLLYFYBP-ADEWGFFLSA-N 284.356 0.749 0 50 CCAA CCN1C(=O)C[C@@H](N2CCC(C(=O)OC)CC2)C1=O 20500952 WPLBCJSZGABFJR-SNVBAGLBSA-N 268.313 0.019 0 50 CCAA CCOc1cncc(N2C[C@@H](OC)C[C@H]2CO)n1 343797516 YAFVYDSOMOWZJF-UWVGGRQHSA-N 253.302 0.461 0 50 CCAA O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1ccc(F)cc1 20745658 QNFCIGUSLSLMQR-SECBINFHSA-N 275.243 0.939 0 50 CCAA CCN(c1ccc(OCC(=O)NC)cc1)S(C)(=O)=O 10009944 YNJMIJJQYLNVKI-UHFFFAOYSA-N 286.353 0.597 0 50 CCAA NC(=O)[C@@H]1CCCN1C1CCN([C@H]2CCCC[C@H]2O)CC1 252512821 VZJIJBFVTICQGJ-SOUVJXGZSA-N 295.427 0.704 0 50 CCAA COCC[C@@H]1CCCCN(C(=O)CN2CCOCC2=O)C1 253432102 WJTDWWLVIXKTAM-ZDUSSCGKSA-N 298.383 0.510 0 50 CCAA COC(=O)c1nc(S(C)(=O)=O)ncc1Br 35570102 IQAFWUQJFVDYTK-UHFFFAOYSA-N 295.114 0.429 0 50 CCAA C[C@H]1CN(C(=O)c2n[nH]c3ccccc3c2=O)C[C@@H](C)N1 153970764 VLIHAGSRPKPCTO-AOOOYVTPSA-N 286.335 0.746 0 50 CCAA O=S(=O)(c1cn[nH]c1)N1C[C@H](CO)Cc2ccccc21 366151540 IYGSHRBQLNPICN-SNVBAGLBSA-N 293.348 0.770 0 50 CCAA N[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(-n2cccn2)cc1 72125613 ONFJKDWHEMIQND-OLZOCXBDSA-N 292.364 0.640 0 50 CCAA COc1c(F)ccc(F)c1C(=O)NCc1n[nH]c(=O)[nH]1 126964720 AQFJJXUTZZKRHQ-UHFFFAOYSA-N 284.222 0.315 0 50 CCAA O=C(O)CCOCCOCCOCCOCCC(=O)O 35977596 LGEVPLDBBPWJIC-UHFFFAOYSA-N 294.300 0.002 0 50 CCAA Cc1noc(CN2CCN(C(=O)[C@@H]3CCC[C@@H]3N)CC2)n1 237688978 QUFZQXGOCIOBQS-NEPJUHHUSA-N 293.371 0.150 0 50 CCAA COCCN1C[C@H](Cc2nccnc2OC)CC1=O 219748481 ZIJYSRNGZUTZIP-SNVBAGLBSA-N 265.313 0.523 0 50 CCAA CCc1ccnc(C(=O)N2CC[C@](O)(c3c[nH]nn3)C2)c1 284473174 ALNDFLSRRWVASN-CQSZACIVSA-N 287.323 0.496 0 50 CCAA CO[C@H]1C[C@@H](CN(C)c2ncnc3nc[nH]c23)N(C)C1 284544502 LXLNLJVTGGNMDK-UWVGGRQHSA-N 276.344 0.508 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)co1 284637172 NSVJFIQPOMFNMX-AWEZNQCLSA-N 290.323 0.847 0 50 CCAA O=C1CN(CC(=O)N2CC3(CCC3)[C@H]2C2CC2)C(=O)N1 336491732 SMTQTWIXJLXFJN-GFCCVEGCSA-N 277.324 0.329 0 50 CCAA CCOc1cc(N2CCC(c3nc(=O)[nH][nH]3)CC2)ncn1 287764845 NJTVEAZNXRWATM-UHFFFAOYSA-N 290.327 0.671 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCc1cn[nH]c1 426441916 OFMBOPWVXQWMSD-STQMWFEESA-N 280.372 0.566 0 50 CCAA CCO[C@@]1(C)C[C@H]1NC(=O)N[C@H]1COC[C@H]1n1ccnn1 527914102 AJHYQJJLVKXEGM-WGBDABJCSA-N 295.343 0.085 0 50 CCAA Nc1nnc([C@H](NC(=O)CCO)c2ccccc2)s1 222310915 WHZKQUZHJLDWCF-SNVBAGLBSA-N 278.337 0.708 0 50 CCAA CCO[C@@H](C)C(=O)NCCCn1nc(C)nc1C 426477335 FPOULDFMVRFZCP-VIFPVBQESA-N 254.334 0.826 0 50 CCAA C[C@@H]1OCCN(S(=O)(=O)C[C@@H]2CCCCO2)[C@@H]1C 178375851 SXPXFIRYOAOOSG-WOPDTQHZSA-N 277.386 0.995 0 50 CCAA CCO[C@H]1CN(C(=O)c2cc(CC)[nH]c(=O)c2)C[C@@H]1O 220002601 XYMWLFUYGKKCJE-RYUDHWBXSA-N 280.324 0.159 0 50 CCAA Cc1cc(C)n([C@@H](C)CNC(=O)CN(C)C(N)=O)n1 426430615 DRCOCXXEVJFIGN-JTQLQIEISA-N 267.333 0.188 0 50 CCAA CCOC(=O)N1CC[C@H](N2C[C@@H]3CC[C@H](C2)[C@H]3N)C1 426533762 IGYOKPSGEPRDDS-RNJOBUHISA-N 267.373 0.886 0 50 CCAA OCc1ccc(C[C@@H]2CCN(C(CO)CO)C2)cc1 91440248 WVGSTJLUNZOJPE-AWEZNQCLSA-N 265.353 0.397 0 50 CCAA COc1ccc2c(c1)OC[C@H](CNS(C)(=O)=O)C2 91305972 DQWRJORNMHKXCM-VIFPVBQESA-N 271.338 0.796 0 50 CCAA Cc1nnc(N2CCN(c3ncnc4[nH]cnc34)CC2)o1 95378768 ZXXAFAANGIWSEC-UHFFFAOYSA-N 286.299 0.371 0 50 CCAA O=C(CC1CCS(=O)(=O)CC1)N1CCc2[nH]cnc2C1 96160154 VVHRPKAQUZBLNX-UHFFFAOYSA-N 297.380 0.509 0 50 CCAA CC[C@H](CO)NC(=O)c1coc(CN2CCOCC2)c1 97528962 ILERAEKHDOKTDB-GFCCVEGCSA-N 282.340 0.613 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3[C@@H]4[C@@H]3[C@@H]3[C@]5(CC=CC[C@]135)[C@H]42 248066537 WDYAGNOENDYYHH-QEGVTJPOSA-N 269.304 0.286 0 50 CCAA C[C@H](Cn1cncn1)C(=O)NCC1(N(C)C)CCOCC1 252486821 HPADSPRKLQWNJI-GFCCVEGCSA-N 295.387 0.141 0 50 CCAA CC[C@@H]1CN(Cc2cnc(N(C)CC(=O)O)nc2)CCN1 534636375 TYPGDTKGQWZIMJ-GFCCVEGCSA-N 293.371 0.181 0 50 CCAA COC[C@H](NC(=O)CCC(=O)O)c1ccccn1 534663443 OJSZMYYRCNUDEE-JTQLQIEISA-N 252.270 0.750 0 50 CCAA Cn1cnnc1CCC(=O)NCC[C@@H]1CCCOC1 534644104 QBAYLFAQHMKTER-NSHDSACASA-N 266.345 0.681 0 50 CCAA NC(=O)c1ccc(NCCN2CCC[C@@H](CO)C2)nc1 828711136 JAPCRUHWGUJVBL-LLVKDONJSA-N 278.356 0.297 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)c1coc(CN)n1 670460091 UFQTZDWDIGICGB-UHFFFAOYSA-N 275.312 0.101 0 50 CCAA COC(C)(C)CCNC(=O)[C@@H]1CSC(C)(C)C(=O)N1 670442522 KGUGNHJUEXQCCF-VIFPVBQESA-N 288.413 0.928 0 50 CCAA CC(=O)N1CC[C@@]2(O)CCN(Cc3ncc(C)[nH]3)C[C@H]2C1 1565506306 POASBTFMSJWQGJ-ZFWWWQNUSA-N 292.383 0.523 0 50 CCAA O=C(NCCc1ccccc1)N[C@@H]1CNCC[C@@H]1O 1565509568 MOQUBSHVJGSNJF-OLZOCXBDSA-N 263.341 0.251 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCc1ccncc1 1565527343 AEBQLCLKBKFKFG-UKMLZYKCSA-N 289.379 0.848 0 50 CCAA CC(C)c1cc(N2CC(=O)N[C@@H](C)C2)n2ncnc2n1 516848277 OKWITEWKURUWKO-VIFPVBQESA-N 274.328 0.572 0 50 CCAA Cn1cc(CC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)cn1 564334165 HMKGIBIHYMEBSH-DCAQKATOSA-N 263.297 0.427 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)c1coc(Br)c1 713828676 CLLUHYHMOAXRIR-HTQZYQBOSA-N 289.129 0.759 0 50 CCAA CN1CC[C@@]2(CCN(S(=O)(=O)c3ccn(C)n3)C2)C1 573202939 PNKSZHPQGAAFTH-GFCCVEGCSA-N 284.385 0.136 0 50 CCAA COc1ccnc(N2CCN(Cc3cn[nH]c3)CC2)n1 678135879 UZXXSLCDZIOIOA-UHFFFAOYSA-N 274.328 0.531 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)c1ccc2[nH]ccc2n1 1646353333 CARZZBZJPZIQIT-VIFPVBQESA-N 272.308 0.914 0 50 CCAA CN(C)C[C@H]1COCCN(CCN2CCCC2=O)C1 1506410529 VJHQSDLOKBOWHS-CYBMUJFWSA-N 269.389 0.119 0 50 CCAA CC(C)c1nnsc1C(=O)N[C@@H]1COCC[C@H]1O 219475843 BOKAXELIMGHUNT-HTQZYQBOSA-N 271.342 0.541 0 50 CCAA Cc1cc(CN2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)on1 216415413 FCCWWHFIYMHFGM-LFSVMHDDSA-N 252.314 0.547 0 50 CCAA Cc1cc2c(cn1)CN(C(=O)C1=NN(C)C(=O)CC1)C2 1857673030 LZDKMHSNXFTJAZ-UHFFFAOYSA-N 272.308 0.840 0 50 CCAA CCOC(=O)N1CCC(NC[C@H]2CCNC[C@@H]2O)CC1 215137163 ZDINPJPGDOQGBL-YPMHNXCESA-N 285.388 0.167 0 50 CCAA CCc1nccn1CCC(=O)N(CCO)Cc1ncc[nH]1 1704328933 PFHNCUWQQABOLW-UHFFFAOYSA-N 291.355 0.580 0 50 CCAA O=C1c2ccccc2C(=O)N1CCCCN1CCNCC1 114668469 ZJXFTACMMJQFRO-UHFFFAOYSA-N 287.363 0.968 0 50 CCAA Cc1cnn(CC(=O)Nc2cnn(CC(=O)O)c2)c1 647744795 KOVFXBSDECGKDU-UHFFFAOYSA-N 263.257 0.111 0 50 CCAA O=C(c1onc2ncccc12)N1C[C@@H](O)[C@H](F)C1 1775980568 ZWORCQKPPONMEV-HTQZYQBOSA-N 251.217 0.378 0 50 CCAA O=C(N1CCC(C2(O)CNC2)CC1)C(F)(F)F 1775956474 FGJOFIUFXZSYHL-UHFFFAOYSA-N 252.236 0.122 0 50 CCAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc2sccc2[nH]1 1857678926 MKFIALYTLDQWRV-XRNSZHNASA-N 296.348 0.470 0 50 CCAA O=C1C[C@H](c2ccc(-c3ncn(CCO)n3)cc2)CN1 1875241525 BEGRHLJTNWZMQU-LBPRGKRZSA-N 272.308 0.541 0 50 CCAA CN(C(=O)[C@H]1C[C@@H](N)[C@H](O)C1)C1Cc2ccccc2C1 1875241586 FZEVTZDVFIOTFE-NWANDNLSSA-N 274.364 0.710 0 50 CCAA COCC(=O)N1CC[C@H](Nc2ccc3nc(C)cn3n2)C1 328592286 ISUZCTPUVUKGJL-NSHDSACASA-N 289.339 0.697 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2cc(F)cc3[nH]cnc23)CCO1 238127677 YFIFMZMRJVOJJD-SNVBAGLBSA-N 293.254 0.628 0 50 CCAA CN1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)CC1 20481504 ZKEJRROGUJNZQC-LSDHHAIUSA-N 280.368 0.882 0 50 CCAA CCO[C@H]1C[C@H]1C(=O)NCc1nncn1C(C)C 264716124 BBCXEDZLRSFGRX-ZJUUUORDSA-N 252.318 0.900 0 50 CCAA CCOc1cc(N2CCCn3[nH]c(=N)cc3C2)ncn1 1875286728 CILWKAKMDOEZFD-UHFFFAOYSA-N 274.328 0.895 0 50 CCAA O=C(NOCc1cccnc1)[C@@H]1CO[C@H]2COC[C@H]12 1875293524 SWPQRTDKZDJIEW-UTUOFQBUSA-N 264.281 0.291 0 50 CCAA Cn1nccc1-c1[nH]nnc1CNC(=O)OCC1CC1 1875289339 JWXWHPIWLJBPPR-UHFFFAOYSA-N 276.300 0.841 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CC[C@@H](C(=O)OC)C2)CC1 1875370620 WCMNTWJYOLCADX-GFCCVEGCSA-N 294.351 0.433 0 50 CCAA CCc1cccnc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 885297381 GTHLIGRZRMLHLJ-JTQLQIEISA-N 297.380 0.395 0 50 CCAA COCCN(C(=O)N1CCOCC1)[C@H]1CCOC1 408354109 HXZIDJFGKZUVCK-NSHDSACASA-N 258.318 0.176 0 50 CCAA CCc1ncc(S(=O)(=O)N2CCC[C@@]3(CCNC3)C2)[nH]1 534653066 PTPOQBVDMTXIGC-ZDUSSCGKSA-N 298.412 0.736 0 50 CCAA Cc1cc(N2CCC(O)(CN(C)C)CC2)nc(C)n1 710621267 DLLIAFJKBUGMAD-UHFFFAOYSA-N 264.373 0.986 0 50 CCAA CC(C)CN1CCC(NCc2nc(O)n[nH]2)CC1 392378716 KAPYMRWAJIPCLM-UHFFFAOYSA-N 253.350 0.720 0 50 CCAA Cn1nc(Cn2ncn3nccc3c2=O)cc1Cl 2325819490 GRQMTYIYIHEEBX-UHFFFAOYSA-N 264.676 0.326 0 50 CCAA C[C@@H]1CC[C@@H]2CN=C(NC[C@H]3NC(=O)CC3(C)C)N2C1 2325864582 STHPPQHCDLEVDA-IJLUTSLNSA-N 278.400 0.961 0 50 CCAA O=S(=O)(NN1CCOCC1)c1ccc(F)cc1 461498 KHLZGLNUTZHMQD-UHFFFAOYSA-N 260.290 0.351 0 50 CCAA O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccccn1 520625 YETAOURHBQZESU-UHFFFAOYSA-N 295.298 0.994 0 50 CCAA Cn1nnnc1S[C@H]1CC(=O)N(c2ccccc2)C1=O 1076452 CYINJCKAAXWNHN-VIFPVBQESA-N 289.320 0.634 0 50 CCAA CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 2641079 OFLHWHRLEZFVMI-UHFFFAOYSA-N 284.337 0.067 0 50 CCAA CCOC[C@H](O)CNC(=O)CC(=O)Nc1ccc(C)cc1 55060769 XYYMZZRZRMZJSJ-CYBMUJFWSA-N 294.351 0.837 0 50 CCAA CS(=O)(=O)N[C@H]1CCN(C(=O)CC(F)(F)F)C1 116835508 MONXRFWVVMFJIW-LURJTMIESA-N 274.264 0.089 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc2ccccc2cn1 67491178 XWBQHYMTVXAYRD-OCCSQVGLSA-N 298.346 0.523 0 50 CCAA CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCC2CC2)CC1 152954369 ZACNIIZGGQWAHZ-CQSZACIVSA-N 293.411 0.942 0 50 CCAA COc1ncc(Cl)c(N2CC[C@H]3OCC(=O)N[C@H]3C2)n1 366615919 IHIZGGOWLBJXJF-DTWKUNHWSA-N 298.730 0.232 0 50 CCAA CC[C@H](C)[C@@H](N)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 237049685 HZFJGBHJCUUTOI-MELADBBJSA-N 283.416 0.541 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)N1CC(=O)N(C2CC2)C1 334310552 OZWJLCCGJDCFQV-VXGBXAGGSA-N 266.341 0.982 0 50 CCAA Cc1cc(N[C@H]2CCCN(CCO)C2=O)ncn1 133159533 HFEMQQJGRJQLSJ-JTQLQIEISA-N 250.302 0.180 0 50 CCAA O=C(Cn1cc(-c2ccccc2)nn1)NC1(C(=O)O)CC1 237938538 ZMMAOJGADYBYNY-UHFFFAOYSA-N 286.291 0.679 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)N[C@H]2CC23CC3)CC1 335129439 LPIGANMMYRUWHI-JTQLQIEISA-N 266.345 0.548 0 50 CCAA C[C@@H]1C[C@H](NC(=O)c2ccc(C(N)=O)s2)CCN1 336229960 WTGQKUDMVHUNFO-HTQZYQBOSA-N 267.354 0.717 0 50 CCAA CS(=O)(=O)NCCN1CCC[C@@H]1[C@H]1CCCC[C@H]1O 337317358 YVOMWKMSBFWPOJ-JHJVBQTASA-N 290.429 0.551 0 50 CCAA CCCCCNC(=O)C(=O)N[C@@H](C)Cn1cccn1 241720823 QSNCUPZETKWHQI-NSHDSACASA-N 266.345 0.694 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N2CCOC[C@H]2C)C1 242339163 ZFKBVMKIKSRXMM-GHMZBOCLSA-N 262.375 0.684 0 50 CCAA O=C(NCC(=O)N1CCCC1)c1cc(C(F)F)[nH]n1 426515514 KUCYRHHFNXJRKK-UHFFFAOYSA-N 272.255 0.700 0 50 CCAA C[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(C(N)=O)cn1 237553832 JWAUKMZCBOVLHA-JOYOIKCWSA-N 276.340 0.522 0 50 CCAA CCN1CCC[C@@](C)(C(=O)NCc2cc(=O)[nH]c(C)n2)C1 95381169 KMNIRWAMZUKJDT-OAHLLOKOSA-N 292.383 0.817 0 50 CCAA Cc1cc(C)n2c(C(=O)N3CCc4[nH]cnc4C3)nnc2n1 95369879 CAHOJYATGIXIQR-UHFFFAOYSA-N 297.322 0.663 0 50 CCAA CCc1cnc(N)nc1N(C)C[C@H](C)N1CCOCC1 91434700 UWWJLYBQJKGYNH-NSHDSACASA-N 279.388 0.778 0 50 CCAA CN(C)C[C@@H]1CN(C(=O)c2cscn2)C[C@@H]1CO 91713220 GJQPRYKIVPODBP-NXEZZACHSA-N 269.370 0.385 0 50 CCAA COc1ccccc1OCCN1CCO[C@H]2CNC[C@H]21 299741551 GHNGJIWRMHFLSC-DOMZBBRYSA-N 278.352 0.747 0 50 CCAA COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2[C@@H]3[C@@H]4[C@H]5[C@H]([C@@H]2[C@@]35C)[C@@H]41 253596757 VTUWEGRJJIFTKA-HZIHGKFSSA-N 262.305 0.953 0 50 CCAA C[C@@H](Cn1ccnc1)NCC1(CN2CCN(C)CC2)CC1 534673737 XTEKNWAPUDHJPI-HNNXBMFYSA-N 291.443 0.889 0 50 CCAA CNC(=O)Cc1cccc(NC(=O)N[C@@H]2CCOC2)c1 299760930 QCAVUYQLUPXKBV-GFCCVEGCSA-N 277.324 0.886 0 50 CCAA CNC(=O)Cc1cccc(NC(=O)N[C@H]2CCOC2)c1 299760931 QCAVUYQLUPXKBV-LBPRGKRZSA-N 277.324 0.886 0 50 CCAA C[C@@H](NC(=O)Cn1ccnn1)c1nc(C2CC2)no1 299758588 NEBCTADWFBIHHT-SSDOTTSWSA-N 262.273 0.416 0 50 CCAA CCOC(=O)[C@H]1CCc2c(C(=O)OC)c(O)cc(=O)n21 1531864978 FOAKEOPDNAGJFH-MRVPVSSYSA-N 281.264 0.391 0 50 CCAA CC(C)[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1C(=O)O 1565510579 FEYYUZLVGJJTCU-ZJUUUORDSA-N 263.359 0.320 0 50 CCAA CCc1c(C)nn(C)c1NC(=O)N[C@H]1CNCC[C@@H]1O 1565510601 ADGNCKNIPPAODC-QWRGUYRKSA-N 281.360 0.135 0 50 CCAA CCn1ncnc1CNCCN1CCC[C@@H](CO)C1 952989190 QWMBTDGXMLOHJF-GFCCVEGCSA-N 267.377 0.092 0 50 CCAA Cc1o[nH]c(=N)c1S(=O)(=O)NC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1 408499267 LRSBLDQYLBXMSE-HLTSFMKQSA-N 299.352 0.637 0 50 CCAA CCn1cnc2c(N3CC(CN(C)C)C3)ncnc21 408523778 VGBWISKKZLBJFI-UHFFFAOYSA-N 260.345 0.844 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c(F)c2)CCN1 188471306 DNNTZMLYAWCOJH-SNVBAGLBSA-N 289.314 0.840 0 50 CCAA Cn1cc(CNC(=O)N[C@H]2CCNC2)c(C(F)(F)F)n1 574771886 XUDPMLWBOHGVNA-QMMMGPOBSA-N 291.277 0.600 0 50 CCAA NCCn1cc(C(=O)NCc2ccccc2F)nn1 89698295 DLIGTCIVPCQGNR-UHFFFAOYSA-N 263.276 0.306 0 50 CCAA CCC(C)(C)CNC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 1615055160 HGRUDPQGGIDXSW-CQSZACIVSA-N 296.371 0.806 0 50 CCAA COCCN1CCN(C(=O)[C@]2(C)C[C@H](N)CCO2)C[C@H]1C 1616036279 IDUZESMPGOHUCI-NFAWXSAZSA-N 299.415 0.062 0 50 CCAA C[C@]12C[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1800411376 IPRVKUZQRJAQRZ-AMIZOPFISA-N 260.297 0.109 0 50 CCAA CNC(=O)C[C@@H]1CCN(c2ncccc2C(=O)NC)C1 1704335266 BYKQZHLPTAQNGB-JTQLQIEISA-N 276.340 0.404 0 50 CCAA CN1CCC2(CC1)CN(c1nc(CO)cs1)CCO2 1772808697 YPNHXMVIEYRILY-UHFFFAOYSA-N 283.397 0.936 0 50 CCAA Cc1nccn1C[C@@H](C)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772807267 LHIBRWZOABQKID-RTXFEEFZSA-N 265.357 0.113 0 50 CCAA CC(C)[C@@H](C(=O)N(C)[C@H](C)C(=O)O)N1CCCC1=O 262886125 MOICBYSECRULMV-KOLCDFICSA-N 270.329 0.565 0 50 CCAA CCOC(=O)/N=c1/snnc2c(C(=O)OCC)cnn12 169514432 WDIYKWCQUMHLNY-FMIVXFBMSA-N 297.296 0.420 0 50 CCAA CN(CCc1ncon1)C(=O)[C@@H]1CCn2nccc2C1 1857731510 SZLCDJAAJZZCHW-SNVBAGLBSA-N 275.312 0.530 0 50 CCAA CN1CCc2cc(-c3[nH]c(=N)[nH]c4ncnc3-4)cnc21 1875247775 RVRRJZRRBMAWBF-UHFFFAOYSA-N 267.296 0.771 0 50 CCAA NCCOc1ccc(F)cc1C(=O)N[C@@H]1CCCNC1=O 426497263 OFXZXPLJTOJHMT-LLVKDONJSA-N 295.314 0.172 0 50 CCAA CCc1cccnc1C(=O)N1CCC[C@]1(COC)C(N)=O 643940155 AALDVLDFJARINU-HNNXBMFYSA-N 291.351 0.751 0 50 CCAA CCCS(=O)(=O)N1C[C@H](c2cccnc2)[C@@H](C(=O)O)C1 249699090 WOMPUZXRWCVPBM-NEPJUHHUSA-N 298.364 0.921 0 50 CCAA Cc1ncc(C(=O)N2CCO[C@@H](C(=O)O)C2)c(C(C)C)n1 262852232 GLCCEBWITLTREN-LLVKDONJSA-N 293.323 0.834 0 50 CCAA C[C@H](C(=O)N1CCO[C@@H](Cn2cccn2)C1)n1cccn1 264719535 HEGXAZTYAAHUIJ-CHWSQXEVSA-N 289.339 0.568 0 50 CCAA CC(C)[C@@H](O)CC(=O)N1CCC[C@@H](c2nc(O)n[nH]2)C1 843877232 DCWLIYJOJPJRDU-ZJUUUORDSA-N 282.344 0.623 0 50 CCAA CCc1cc(C(=O)NCc2c[nH]nc2[C@H]2CCNC2)n[nH]1 952851165 WBLWUHSRDSNMQE-VIFPVBQESA-N 288.355 0.702 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N[C@](C)(COC)C(=O)OC 1875264891 VUCZHMDAFYDEIY-HOTUBEGUSA-N 260.334 0.054 0 50 CCAA CCNC(=O)CNC(=O)c1cc(C)nc2c1C(=O)CCC2 1775989450 OAVJAWZYTHQMIO-UHFFFAOYSA-N 289.335 0.775 0 50 CCAA Cn1cc(CCCNC(=O)[C@H]2C[C@H]2C(=O)O)cn1 268910111 MRTBYBHWEOGBHH-VHSXEESVSA-N 251.286 0.190 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1nc(C)no1 643878347 QMMYDKCUMDWFJX-LLVKDONJSA-N 255.274 0.444 0 50 CCAA C[C@H](C(=O)NC1CCCC1)N(C)Cc1ncon1 670457162 TUGCDYGARTYDLS-SECBINFHSA-N 252.318 0.949 0 50 CCAA O=C(N[C@H](CO)C1CC1)c1nnc2c(F)cccc2c1O 2325804904 AYJGRRFDQFACPW-SNVBAGLBSA-N 291.282 0.975 0 50 CCAA O=S1(=O)C=C[C@@H](S(=O)(=O)c2ccccc2)C1 1318914 DVWMJUAFBDCLCG-SNVBAGLBSA-N 258.320 0.771 0 50 CCAA Cc1nc(CNC(=O)[C@@H]2CN(C)CC[C@H]2O)sc1C 2356142715 DSGAWPRSIPNODI-GHMZBOCLSA-N 283.397 0.689 0 50 CCAA CCOC(=O)c1sc(NS(C)(=O)=O)nc1C 4411675 GOSNIJDJHSGMRZ-UHFFFAOYSA-N 264.328 1.000 0 50 CCAA Cc1cc(C(=O)NC[C@@]2(O)CCO[C@H]2C)ccn1 228689403 JMULSNVAQOKPSY-GWCFXTLKSA-N 250.298 0.660 0 50 CCAA COC(=O)CC1=NN(c2nc(C)cc(C)n2)C(=O)C1 100421563 GEIGROSBPKCYRF-UHFFFAOYSA-N 262.269 0.749 0 50 CCAA CCC1(CO)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 345054453 NPIHCZBWTAMEHT-JTQLQIEISA-N 254.330 0.276 0 50 CCAA CCCCN1C[C@@H](C(=O)N2CCN(C)CC2)CC1=O 20018263 OGWNBFPTMDHRRC-LBPRGKRZSA-N 267.373 0.409 0 50 CCAA O=C(C1CCNCC1)N1CCN(c2ccccc2)C(=O)C1 20235042 RMCZKMYMZHNYDF-UHFFFAOYSA-N 287.363 0.861 0 50 CCAA O=C(O)Cn1cc(NC(=O)c2ccc3c(c2)OCO3)cn1 38029666 IZKOYXHQPZYILL-UHFFFAOYSA-N 289.247 0.949 0 50 CCAA COC(=O)c1ccc(NC(=O)C(=O)N2CCOCC2)cc1 38725069 WOOIEQNVPFLZSG-UHFFFAOYSA-N 292.291 0.271 0 50 CCAA C[C@H](Cn1cccn1)C(=O)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 71730498 BKNYXBQSDGUXFR-DGTMBMJNSA-N 293.367 0.109 0 50 CCAA COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)O)C2 363789697 OVKZPIXSNKOJER-MRVPVSSYSA-N 251.238 0.200 0 50 CCAA O=C(O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 368627537 XCYNDLQMKZISLR-SSDOTTSWSA-N 270.235 0.744 0 50 CCAA COC(=O)CN1CCN(c2cccc(OC)c2)CC1 35800851 DCILPPQPAQEZKF-UHFFFAOYSA-N 264.325 0.990 0 50 CCAA Cc1nonc1OCCNC(=O)c1cccc2ccnn12 72163489 HTYHRLDZZVKSNR-UHFFFAOYSA-N 287.279 0.835 0 50 CCAA O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCOC[C@H]1O 218890018 QZLSZZWFGIOJMQ-GHMZBOCLSA-N 279.292 0.224 0 50 CCAA CN(Cc1cc[nH]n1)c1cc(C2CC(N)C2)nc(N)n1 218922771 YTYWFBZTUMTVHM-UHFFFAOYSA-N 273.344 0.623 0 50 CCAA NC[C@H]1CCCCN1C(=O)c1ccc(C(N)=O)nc1 237957189 FDSIJPNAQHCJFE-SNVBAGLBSA-N 262.313 0.134 0 50 CCAA O=C(O)CN(C(=O)Cn1c(=O)[nH]c2ccccc21)C1CC1 238076891 USVAPLQKIDTKAI-UHFFFAOYSA-N 289.291 0.405 0 50 CCAA COCc1cccc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1 285639014 TXVCQSMVIUTOQE-HNNXBMFYSA-N 292.335 0.285 0 50 CCAA COC(=O)CN1C(=O)N2CCN=C2c2ccccc21 40385438 GTMPSOZGJZIZEC-UHFFFAOYSA-N 259.265 0.862 0 50 CCAA biogenic O=C(O)[C@@H]1CCCN1C(=O)c1cnn2ncccc12 263567365 GOABKQSSKJBRKQ-JTQLQIEISA-N 260.253 0.419 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(=O)cc(C)[nH]1 426562991 MMFYSPOUUUOFAN-KBPBESRZSA-N 293.367 0.521 0 50 CCAA CC(=O)NC(C)(C)C(=O)N[C@@H](C)c1n[nH]c(C)n1 426496771 CBUYFWKDJSGYPO-LURJTMIESA-N 253.306 0.205 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)Cc1cc(C2CC2)no1 614456508 RYUIKJDURJRLPF-KWQFWETISA-N 277.324 0.878 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)NCc1cccc(-c2nnn[nH]2)c1 95274419 YDGTUYGXOOFWNP-CABZTGNLSA-N 288.355 0.856 0 50 CCAA C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccc(O)nc1 290956693 PSJOKHLLZVMESD-DGCLKSJQSA-N 291.351 0.722 0 50 CCAA CCCc1nnc(N2CCN(C[C@@H](O)CN(C)C)CC2)o1 95382794 BNEJGLKSBVCFBR-LBPRGKRZSA-N 297.403 0.067 0 50 CCAA Cc1n[nH]c(C)c1[C@H](N)C(=O)NCC1(O)CCCCC1 91625588 VOFUZRILGVPKII-LBPRGKRZSA-N 280.372 0.838 0 50 CCAA CC(C)c1nccn1[C@H](C)C(=O)N1CCS(=O)(=O)CC1 95391334 HRFLUMOONQSDFX-LLVKDONJSA-N 299.396 0.825 0 50 CCAA O=C1NCCCc2[nH]c([C@@H]3CCCN(CCO)C3)nc21 95527461 LSKVIZCGAXUNBC-SNVBAGLBSA-N 278.356 0.257 0 50 CCAA C[C@@H](NC(N)=O)C(=O)Nc1ncn(C2CCCCC2)n1 182721408 HBNBDQZMXOZVMF-MRVPVSSYSA-N 280.332 0.779 0 50 CCAA CC1(C)COC[C@H]1NC(=O)N[C@H]1CCN(C2CCC2)C1=O 624170210 NGDRODUORJUUAY-NWDGAFQWSA-N 295.383 0.864 0 50 CCAA CC(C)OC(=O)[C@H]1[C@H]2O[C@@H]3C=C[C@@H](O)[C@@H](C[C@H]2O)[C@@H]31 257345893 MKDLWWZQFRZOGY-LAFJZYIASA-N 268.309 0.249 0 50 CCAA CC(C)(C)N1CC[C@H](CNC(=O)CSCC(N)=O)C1 534586376 VVJKLCKDXKQNPC-SNVBAGLBSA-N 287.429 0.442 0 50 CCAA CN(C)CC(C)(C)NC(=O)C(=O)c1cccn1C 457232936 HYLCMDWMUHEKGR-UHFFFAOYSA-N 251.330 0.664 0 50 CCAA Cc1cc(C)n(CCN[C@@H](C)CN(C)C)c(=O)n1 823683209 OALASSDLUCGLRP-NSHDSACASA-N 252.362 0.400 0 50 CCAA COC[C@@H](C)NCC1(CN2CCN(C)CC2)CC1 824344088 GVBGAKRMSGPNAT-CYBMUJFWSA-N 255.406 0.639 0 50 CCAA C[C@H](Cn1cccn1)C(=O)N1CCc2n[nH]cc2C1 827628083 RHHKVFRUOVSATE-SNVBAGLBSA-N 259.313 0.827 0 50 CCAA Cn1nnc(-c2ccc(-c3ncnn3CCO)cc2)n1 828778378 MFNJBERKRRIWGI-UHFFFAOYSA-N 271.284 0.128 0 50 CCAA C[C@H](CN1CCOCC1)NCCC1(O)CCCC1 821285508 MPJLNISTWANXEP-CYBMUJFWSA-N 256.390 0.992 0 50 CCAA CC(=O)NCc1nnc2n1CCN(CC=C(C)C)CC2 820585017 BVMGLAMRDPNFJT-UHFFFAOYSA-N 277.372 0.739 0 50 CCAA C[C@H]1CN(Cn2nnc3ccccc3c2=O)C[C@@H](C)O1 16116123 IDHLJCLDIBQKOV-PHIMTYICSA-N 274.324 0.858 0 50 CCAA CC(C)c1noc(CN(C)C(=O)CCS(C)(=O)=O)n1 952990870 ZVZVHUKPWQIEPD-UHFFFAOYSA-N 289.357 0.586 0 50 CCAA C[C@@H](C(=O)O)N1C[C@H](NC(=O)OC(C)(C)C)CC1=O 953095561 CYTYYYDNPYXXOF-JGVFFNPUSA-N 272.301 0.585 0 50 CCAA C[C@@H](c1ccon1)N(C)C(=O)[C@@H]1CCCN(CC(N)=O)C1 952964299 PDCJEIQGSZOQMR-WDEREUQCSA-N 294.355 0.391 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1ccco1 77393060 JZYLABGECVXXLF-PWSUYJOCSA-N 279.340 0.277 0 50 CCAA NC(=O)[C@H]1CC[C@H](C(=O)OCCC(F)(F)F)O1 170617327 IGYFFQRVXDCFFK-PHDIDXHHSA-N 255.192 0.515 0 50 CCAA CC1(C)CC[C@@H](CN2CCN(C(C)(C)C(N)=O)CC2)O1 408336330 ZVRNXNMPIZLVML-LBPRGKRZSA-N 283.416 0.826 0 50 CCAA O=C(Nc1cc2cc[nH]c2cn1)N1CCO[C@@H](CO)C1 654140558 KTRNBCPGJKSHET-SNVBAGLBSA-N 276.296 0.788 0 50 CCAA Cn1ncc2c(=O)n(Cc3cc(C4CC4)no3)nnc21 657251939 NIIJWWBAXBZKNO-UHFFFAOYSA-N 272.268 0.439 0 50 CCAA Cc1ccnn1CC(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1615555928 ZWHCEOJHKIAKHG-UKRRQHHQSA-N 270.336 0.932 0 50 CCAA N[C@H]1CC[C@@H](C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 1771855901 JBSWSQQINLGISM-FVCCEPFGSA-N 279.384 0.631 0 50 CCAA CNc1nc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)ncc1F 1506424091 YSQRKRXKMWSHJG-RYUDHWBXSA-N 295.362 0.693 0 50 CCAA CCOc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1 6703183 KFZAWLWNRDNPSV-MRVPVSSYSA-N 272.326 0.237 0 50 CCAA O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H]1C1(O)CC1 1772809115 MRUIZJFYRQWTSP-GFCCVEGCSA-N 299.330 0.824 0 50 CCAA COC(=O)[C@@H](Cc1ccc(N(C)C)cc1)NC(C)=O 169620378 OCFBTMWOSFKWMI-CYBMUJFWSA-N 264.325 0.973 0 50 CCAA Cc1cc(C[C@@H]2CN(c3n[nH]c(=N)s3)C[C@@H]2O)n[nH]1 1875247169 YFPMYHYBAMANOR-APPZFPTMSA-N 280.357 0.022 0 50 CCAA Cc1cccc(OCC(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1 1875241659 VQTLLOYJJNQGBK-CTHBEMJXSA-N 293.319 0.017 0 50 CCAA CN1CCC([C@H]2CCN(C(=O)Cc3cnnn3C)C2)CC1 612998935 FJRJPHNKZKFTIW-ZDUSSCGKSA-N 291.399 0.548 0 50 CCAA O=C(CN1CCc2ccccc21)N[C@H]1CCOC[C@@H]1O 629230343 YRNOMJIGQUNCPL-JSGCOSHPSA-N 276.336 0.315 0 50 CCAA CN(C(=O)[C@@H]1CCCSC1)N1CCS(=O)(=O)CC1 952880739 IOYMVWQEYBRXRK-SNVBAGLBSA-N 292.426 0.233 0 50 CCAA C[C@H](N=c1[nH]ccn2nnnc12)c1cc2n(n1)CCCC2 1875287033 SHEWVJMHFNVPFD-VIFPVBQESA-N 284.327 0.647 0 50 CCAA O=S(=O)(NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1ccns1 1875298073 NPZPIARIIFXJMZ-KHWQERMQSA-N 286.378 0.845 0 50 CCAA O=C1CC[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)CN1 1875266895 CDIQJDKMWLSHHL-QMMMGPOBSA-N 276.296 0.068 0 50 CCAA CN(C[C@@H]1CCCNC1)C(=O)c1cnn2c(=O)cc[nH]c12 1875347895 YKMSSPIBNVBOQZ-SNVBAGLBSA-N 289.339 0.094 0 50 CCAA O=C(CN1CCS[C@H]2CCCC[C@@H]21)NCc1nn[nH]n1 1875331081 NYZBZUOFYJPWLJ-UWVGGRQHSA-N 296.400 0.176 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CC3(CCOCC3)C2)C1 1875387082 NEBZGKUZYMGDPQ-UHFFFAOYSA-N 264.325 0.270 0 50 CCAA O=C(NC[C@@H]1C[C@H]2C[C@@H]1C[C@H]2O)c1cc(O)cc(=O)o1 1875313482 RZNFHEZYXDJVQV-SDNRWEOFSA-N 279.292 0.482 0 50 CCAA Cc1cc(N2CCN([C@@]3(C(=O)O)CCOC3)CC2)ncn1 886095286 QVOKQULLZKDSLZ-AWEZNQCLSA-N 292.339 0.151 0 50 CCAA C=CC(=O)NCC(=O)N[C@H]1CCOc2ccccc21 888098821 SAAYLZWKSHRXPF-NSHDSACASA-N 260.293 0.929 0 50 CCAA COC(=O)[C@@H](N)CCc1c[nH]nc1C(F)(F)F 1772715805 QUYALJQDLJIPTN-LURJTMIESA-N 251.208 0.861 0 50 CCAA O=C(C[C@@H]1COCCN1)N1CCO[C@@H]2CCCC[C@@H]21 129018883 OTRKTJHAQFRECX-FRRDWIJNSA-N 268.357 0.535 0 50 CCAA NC(=O)NC(=O)CCN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 250820181 FYJKACFEEOKPES-BBBLOLIVSA-N 283.328 0.289 0 50 CCAA CCc1ccnc(C(=O)N2C[C@H](OC)C[C@H]2CO)c1 284966484 WXLKEOYVCJQTKD-NWDGAFQWSA-N 264.325 0.866 0 50 CCAA CC(C)N(CCN1C[C@H](C)O[C@H](C)C1)CC(N)=O 408523418 JWONJEBHGZWZEE-TXEJJXNPSA-N 257.378 0.291 0 50 CCAA NC(=O)C1(NC(=O)[C@H]2CCCNCC2)CCCC1 846671750 YCVDJVYBLMJWJB-JTQLQIEISA-N 253.346 0.290 0 50 CCAA O=C(Nc1cnn2c1NCCC2)c1n[nH]c2c1COCC2 2100545266 MAMTUMNHKKZGQK-UHFFFAOYSA-N 288.311 0.747 0 50 CCAA CN(C)C[C@H](C(=O)NCc1nn[nH]n1)c1ccccc1 2325798151 QSKZVBHNNRFWEB-NSHDSACASA-N 274.328 0.161 0 50 CCAA CN1Cc2c(NC(=O)[C@@H]3C=CCN3)cccc2C1=O 2325890778 UZRBEAQIUHHCJS-LBPRGKRZSA-N 257.293 0.739 0 50 CCAA COc1cc(C(=O)N[C@H](C)C(=O)O)cc(OC)c1OC 78391 LYDVPBQLBMIUQN-SSDOTTSWSA-N 283.280 0.915 0 50 CCAA biogenic COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)O 188828 UNIZLVGRBADFIM-UHFFFAOYSA-N 269.253 0.184 0 50 CCAA O=C(N[C@H]1CS[C@@H](C(=O)O)C1=O)c1ccccc1 191728 TUQYCYZBIRJGAQ-WCBMZHEXSA-N 265.290 0.554 0 50 CCAA S=C(NCCc1ccccc1)NN1CCOCC1 306871 DUSWJMPWEXUOTH-UHFFFAOYSA-N 265.382 0.940 0 50 CCAA CCCN1Cc2nnc(CN3CCOCC3)n2[C@H](C)C1=O 2356143119 VUMOZUJTEJWSHB-LLVKDONJSA-N 293.371 0.424 0 50 CCAA CCc1ncnc(N2CCC3(CC2)CNC(=O)CO3)c1F 2356165409 HHLIXBQEMDITFP-UHFFFAOYSA-N 294.330 0.664 0 50 CCAA C[C@H](C(N)=O)N(c1ccc(F)cc1)S(C)(=O)=O 4839835 MZGYXMOKYUDEPO-SSDOTTSWSA-N 260.290 0.466 0 50 CCAA CCn1ccc(C(=O)NCCCN2CCCC2=O)n1 6741262 XUCRAIPBKLHZTK-UHFFFAOYSA-N 264.329 0.645 0 50 CCAA COCCN(Cc1cnn(C)c1)C[C@@H]1CCOC1 55073427 WREZXURZOVIGPR-LBPRGKRZSA-N 253.346 0.905 0 50 CCAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccncc1 67851269 LBOJMMKRPSPFAU-NEPJUHHUSA-N 276.340 0.148 0 50 CCAA Cc1cnc(CN2CCC[C@@H](Cn3cc(CO)nn3)C2)[nH]1 20209220 REAKOCXNSVUGLS-GFCCVEGCSA-N 290.371 0.714 0 50 CCAA O=S1(=O)CCN(Cc2nc3ccccc3[nH]2)CC1 131175517 BDMPADFQQHIJNC-UHFFFAOYSA-N 265.338 0.793 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](CC1CCC1)[C@@H](O)C(N)=O 38314492 KCDNFVJMBIUAFE-VHSXEESVSA-N 272.345 0.916 0 50 CCAA in-vitro CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)C1CC1 123003441 PECWYMVJSHKZFZ-WCBMZHEXSA-N 292.426 0.768 0 50 CCAA CC(C)N1C[C@@H](C(=O)NCCSc2ncn[nH]2)CC1=O 77485075 PILRGMKNTALBEP-VIFPVBQESA-N 297.384 0.270 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)o1 330668803 ZGEUTCQUUPOPLQ-QMMMGPOBSA-N 270.314 0.547 0 50 CCAA CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CNCCO2)cc1 152004767 LKLNWNSZDHWHBD-GJZGRUSLSA-N 291.395 0.914 0 50 CCAA CCN(C(=O)CCCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 77299564 SCTHSBQTOMILKI-LBPRGKRZSA-N 299.396 0.768 0 50 CCAA OCCOc1cncc(N2CCC[C@@H](c3ncc[nH]3)C2)n1 368721100 DNDDBGQLSXVJRV-LLVKDONJSA-N 289.339 0.955 0 50 CCAA CC1CCN(CC(=O)N2C[C@@H](F)C[C@H]2CO)CC1 334234563 ZXFQAEICARVYOD-RYUDHWBXSA-N 258.337 0.650 0 50 CCAA CCc1nccn1CC(=O)N1CC[C@@H](N)[C@@H](OC)C1 71730484 RKNFJOZRNNXRPV-MNOVXSKESA-N 266.345 0.020 0 50 CCAA CNCC(=O)N1CCC[C@H](OCc2ccccn2)C1 71749647 CFXMNOGJHZLCEP-ZDUSSCGKSA-N 263.341 0.809 0 50 CCAA CS(=O)(=O)[C@H]1CCN(C(=O)NCCn2cccc2)C1 239762107 CKVMHAVAALFNDY-NSHDSACASA-N 285.369 0.317 0 50 CCAA CC(C)(C)c1cc(CNC(=O)Cn2cnnn2)[nH]n1 223070704 ZSGMMBNEEMUNJS-UHFFFAOYSA-N 263.305 0.010 0 50 CCAA CN(CC(=O)NCC1(COc2ccccc2)CC1)C(N)=O 426545004 JGQDUIIYNQOXNS-UHFFFAOYSA-N 291.351 0.972 0 50 CCAA Cc1ccn2c(C(=O)N3CCCN(C)CC3)nnc2n1 426436771 UGOVVYTXRJPLFX-UHFFFAOYSA-N 274.328 0.210 0 50 CCAA O=C(NCCOCCO)N1CCOc2ccccc2C1 426479595 ASKVBEVNQFHSIX-UHFFFAOYSA-N 280.324 0.600 0 50 CCAA CC(=O)NC(C)(C)C(=O)NCCCOc1cccnc1 426544434 PTKNUNJFUXZPQM-UHFFFAOYSA-N 279.340 0.881 0 50 CCAA CCOC[C@H](O)CNC(=O)c1cc(C(C)C)nn1C 82147909 SQRKPWKOQUJVGV-SNVBAGLBSA-N 269.345 0.671 0 50 CCAA Cc1nonc1CN(C)c1cc([C@H]2CCOC2)nc(N)n1 426728319 SSIANIVWYQBURZ-VIFPVBQESA-N 290.327 0.891 0 50 CCAA O=C([C@H]1CCC[C@@H](O)C1)N1CCC(n2cnnc2)CC1 223597179 YBLKDTMMJMFKMJ-WCQYABFASA-N 278.356 0.993 0 50 CCAA CC1(C)C[C@H]1C(=O)N1CCN(CCC(=O)O)CC1 232911820 ALHIRQWZDYPLFB-JTQLQIEISA-N 254.330 0.651 0 50 CCAA CN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F 95099918 LMLOOYLJVCUWCD-UHFFFAOYSA-N 295.182 0.617 0 50 CCAA Cn1ccnc1-c1cn(C[C@H]2CCS(=O)(=O)C2)nn1 91793829 XUXCBBOSHCZQNV-SECBINFHSA-N 281.341 0.113 0 50 CCAA CC(C)N1C[C@@H](c2nc(CN3CCOCC3)no2)CC1=O 96132286 YCCZFVBLMQMOPU-NSHDSACASA-N 294.355 0.626 0 50 CCAA O=C(NCCn1cc(Cl)cn1)[C@@H]1CC(=O)N(C2CC2)C1 91974266 AOOYWDHZUGBFKI-SECBINFHSA-N 296.758 0.664 0 50 CCAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CO)C2 92021891 PNBDCSUZLFKCTJ-SECBINFHSA-N 251.282 0.355 0 50 CCAA O=C(O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 521398707 MFOJSXRKNQFBTO-CBAPKCEASA-N 250.172 0.882 0 50 CCAA C[C@H](O)CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)O 257400894 CWLWBMWELZSMPG-DJLDLDEBSA-N 276.285 0.486 0 50 CCAA biogenic O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1C=CCN1 534646730 GWNMTEBXDNZQBK-AWEZNQCLSA-N 293.411 0.666 0 50 CCAA CN(CC(=O)NC[C@H]1CCCCO1)C1CCNCC1 534659588 OMCJGVRXQTYDPA-CYBMUJFWSA-N 269.389 0.356 0 50 CCAA CN(C)C(=O)NCC(=O)NC[C@H]1CCN(C(C)(C)C)C1 534581721 QFCHCWMLVRIORS-LLVKDONJSA-N 284.404 0.494 0 50 CCAA COc1cccc2c1NC(=O)CN(CCN(C)C)C2=O 534578159 ATZOZVFPYAWXHJ-UHFFFAOYSA-N 277.324 0.651 0 50 CCAA CCN(CCOC)C(=O)N[C@H](C)Cn1cncn1 299672094 URBZCSSXUHXYSP-SNVBAGLBSA-N 255.322 0.345 0 50 CCAA CCCCS(=O)(=O)NCCc1nc(C)cc(O)n1 822880404 ICFPRXPONRBBQP-UHFFFAOYSA-N 273.358 0.753 0 50 CCAA O=C(NCCOc1ccccc1F)[C@H]1C=CCN1 827690918 ISFKIALXFGPXRA-LLVKDONJSA-N 250.273 0.849 0 50 CCAA CCc1nnc(NCCCN2CCC(C(N)=O)CC2)s1 584893632 TVFUGYLVDYEFEP-UHFFFAOYSA-N 297.428 1.100 0 50 CCAA CCc1noc([C@H](C)NC(=O)c2ncc[nH]c2=O)n1 823569524 WLKITESFRYCYKB-LURJTMIESA-N 263.257 0.206 0 50 CCAA COCc1nocc1C(=O)N[C@@H]1C[C@H](N)C12CCC2 1343201747 PTWOKHIKIIOPTA-WDEREUQCSA-N 265.313 0.821 0 50 CCAA O=C(O)Cc1csc(NC(=O)c2ncccn2)n1 61957862 GKUNTEPVIJNSBA-UHFFFAOYSA-N 264.266 0.813 0 50 CCAA in-vitro CCc1ccccc1OCC(=O)N1CCOC[C@@H]1C(=O)O 268964801 CCZNLSYEGUYQDO-GFCCVEGCSA-N 293.319 0.940 0 50 CCAA O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1COCCN1CC1CCC1 185861847 BYTYLHRPLDCXQS-ZNMIVQPWSA-N 294.395 0.541 0 50 CCAA C[C@@H]1CCCCCN1S(=O)(=O)C[C@H]1CN(C)CCO1 631969888 GOUXHASEUDJJGZ-CHWSQXEVSA-N 290.429 0.911 0 50 CCAA Cc1nccc(NC(=O)N(C)CC2(O)CCOCC2)n1 408386156 QSZLXFPCCXIGTR-UHFFFAOYSA-N 280.328 0.790 0 50 CCAA C[C@H](CO)[C@@H](C)NC(=O)Cn1cc(C2CC2)nn1 305445446 PBTMVCSDPATBJP-RKDXNWHRSA-N 252.318 0.289 0 50 CCAA COc1cccc(CN2C[C@H](O)C[C@H]2C(N)=O)c1Cl 665049417 TUFMIFYBLCCCRD-ZJUUUORDSA-N 284.743 0.769 0 50 CCAA N[C@H]1CC12CC(NC(=O)c1coc3c1C(=O)NCCC3)C2 1615545863 KNICYBNEBUTNDR-DYNOMCFFSA-N 289.335 0.565 0 50 CCAA COCCCCN(C)C(=O)[C@H](O)[C@@H]1COC(C)(C)O1 1615604590 AJYNXJQKPHIAAZ-WDEREUQCSA-N 275.345 0.384 0 50 CCAA O=C(c1cnc(C2CC2)nc1O)N1CC[C@@H]2CNC[C@@H]21 1616104443 BEOWOEZLJHZABU-KOLCDFICSA-N 274.324 0.494 0 50 CCAA CC(=O)N1CCCN(CC[C@H]2COCCO2)CC1 1775979535 JRFFSHVTIZEUEQ-ZDUSSCGKSA-N 256.346 0.346 0 50 CCAA COCCOC1CCN(c2cncc(N)n2)CC1 1857679394 KACIFSIBJBYOFK-UHFFFAOYSA-N 252.318 0.691 0 50 CCAA C[C@@H]1CN2C[C@H](NC(=O)C3CC=CC3)C[C@H]2CO1 1857724288 SYBHCBJKSNZSNW-RTXFEEFZSA-N 250.342 0.930 0 50 CCAA CO[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1Cc1cc(C)no1 1529191979 LPKYJOZPQUNTEM-YPMHNXCESA-N 295.339 0.135 0 50 CCAA Cc1nnsc1C(=O)N1CC[C@@H](C)C[C@H]1C(N)=O 408366276 WMFFNQXTRNTTGW-SVRRBLITSA-N 268.342 0.573 0 50 CCAA O=C(CO)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1704337921 IBNKDSWHIQGKDB-IUODEOHRSA-N 286.331 0.901 0 50 CCAA CN(C)c1nc(=NCc2c(Cl)cnn2C)[nH][nH]1 331245390 RUVJIKKNBKHSQC-UHFFFAOYSA-N 255.713 0.292 0 50 CCAA CN1CCN(C(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)CC1 13116492 UOVMFIQDEOSINK-QCNOEVLYSA-N 264.325 0.283 0 50 CCAA Cc1cc(N)n(CC(=O)NCc2cnc3ccccn23)n1 19790795 GSDZICXOEHZAJD-UHFFFAOYSA-N 284.323 0.738 0 50 CCAA NC(=O)c1ccc(C(=O)NCC[C@H](O)C(F)(F)F)cn1 225402817 MKVABRGOGIJGLS-QMMMGPOBSA-N 291.229 0.224 0 50 CCAA COc1ccccc1OCC(=O)NC[C@]1(O)CCOC1 229691108 PZVRHHLYFAWBRQ-CQSZACIVSA-N 281.308 0.342 0 50 CCAA C[C@H](NC(=O)c1cccnc1)[C@@H](C)N1CCOCC1 264299266 RIPCZYJMDXRWFO-NWDGAFQWSA-N 263.341 0.921 0 50 CCAA OCC1(Cn2cc([C@@H](O)c3ccccc3)cn2)COC1 902852456 UNCIYSROFFPPOX-AWEZNQCLSA-N 274.320 0.974 0 50 CCAA CCOCCN1CCC2(CC1)C[C@](C)(O)[C@@H](O)CO2 1704325837 UFRSHIMYNLPNSY-STQMWFEESA-N 273.373 0.390 0 50 CCAA CN1CCC[C@]2(CO)CCN(c3nc(CO)cs3)C[C@@H]12 1704330658 ZSFFWTJCACCYKJ-TZMCWYRMSA-N 297.424 0.918 0 50 CCAA COc1ncc(CN2CC[C@H](O)[C@H](CO)C2)cc1Cl 1235696467 FEKJKGBBWBXVOW-JQWIXIFHSA-N 286.759 0.919 0 50 CCAA O=C(c1nc(=O)c2ccccc2[nH]1)N1CC[C@@H]2CNC[C@@H]21 857768003 KAYTUIIYQONGHK-SKDRFNHKSA-N 284.319 0.357 0 50 CCAA Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2nc[nH]n2)n1C 952888656 MKLRHISGEQDNNR-GXSJLCMTSA-N 275.312 0.712 0 50 CCAA Cn1cnc(N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)cc1=O 1875399181 QWOFPOAMLNMISD-QJPTWQEYSA-N 289.339 0.228 0 50 CCAA C=CC(=O)NCC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1875372096 WIZAGVRJXMMGPH-NILFDRSVSA-N 256.305 0.743 0 50 CCAA Cn1nccc1CNC(=O)[C@@H]1CCCO[C@H]1c1ncc[nH]1 888076084 WUAFWSDVPGSMKF-VXGBXAGGSA-N 289.339 0.927 0 50 CCAA CN(Cc1nncn1C)C(=O)c1n[nH]c2ccccc12 19867205 NDOOSAWXEVYAJH-UHFFFAOYSA-N 270.296 0.964 0 50 CCAA CCc1ocnc1C(=O)N1CCO[C@H](CC(=O)O)C1 262826975 RPFCWWNZXRAZED-MRVPVSSYSA-N 268.269 0.553 0 50 CCAA Cn1nccc1C1CCN(CCN2CCNC2=O)CC1 290387815 SBLIFRQPVHULGX-UHFFFAOYSA-N 277.372 0.625 0 50 CCAA CO[C@H]1CCCN(c2ncnc3c2CCNCC3)C1 72426323 XDZXRPLNXUXKOU-NSHDSACASA-N 262.357 0.780 0 50 CCAA COCCN(C)C(=O)C12CC3C[C@](O)(C1)C[C@@](O)(C3)C2 2325805146 SULDPDLJKWBHCQ-HUOOROGZSA-N 283.368 0.537 0 50 CCAA CN1C[C@@H](N(C)c2cc(-n3ccnc3)ncn2)CCC1=O 895953906 SJCYDXWKIIWTPT-NSHDSACASA-N 286.339 0.719 0 50 CCAA O=C(CSc1nnc2ccccn12)N1CCOCC1 203059 VAVHIJOQIIOLGW-UHFFFAOYSA-N 278.337 0.680 0 50 CCAA COC[C@@]12COC[C@@H]1CN(c1ccc(C(=O)OC)cn1)C2 2356151610 PTZWDDSDOQCVNB-WFASDCNBSA-N 292.335 0.967 0 50 CCAA O=C(c1ccsc1)N1CCC2(CC1)C[C@@H](O)[C@@H](O)CO2 2356161966 RGBBHLFWGMWSBJ-NEPJUHHUSA-N 297.376 0.865 0 50 CCAA CN(C)C(=O)c1ccc(CN2C[C@@H]3CNC(=O)[C@@H]3C2)o1 2356164202 JEYHPOCLSCVCGB-GXSJLCMTSA-N 277.324 0.159 0 50 CCAA Cc1csc2ncc(C(=O)NC[C@@H]3CCCO3)c(=O)n12 6504994 ZGXVBXUNNMKWJG-VIFPVBQESA-N 293.348 0.973 0 50 CCAA COC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@@]23C=C[C@H]1O3 100846446 NSUAJMBIBIXWTK-BLTAXRJOSA-N 289.287 0.735 0 50 CCAA CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H]1C(N)=O 225441361 DUWQRNXDTRYDEX-NSHDSACASA-N 289.401 0.445 0 50 CCAA CC(=O)N1CCC(N(C)C[C@@H]2CCCN(CCO)C2)CC1 65409303 BAXPOTXNADESQM-HNNXBMFYSA-N 297.443 0.633 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N[C@H]2CCCCNC2=O)C1 248856198 NVOVRWSEVLNMAP-QWRGUYRKSA-N 289.401 0.221 0 50 CCAA O[C@@H]1COCCN(Cc2cnc(-c3ccccn3)nc2)C1 77519075 KIYRGOKXLFUSOR-ZDUSSCGKSA-N 286.335 0.732 0 50 CCAA O=C(NCCn1cnnc1)c1cccc(-n2cccn2)c1 77302649 MYBILTVHQKVRAU-UHFFFAOYSA-N 282.307 0.894 0 50 CCAA COC(=O)[C@H](CNCc1ccc(OC)cc1)[C@@H](C)O 39022872 BHTXFDCKVRIWTI-ZWNOBZJWSA-N 267.325 0.955 0 50 CCAA Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H]1CCOC1 241338535 MBMPEZBTOCTCLR-SNVBAGLBSA-N 288.311 0.881 0 50 CCAA CC[C@H]1COCCN1S(=O)(=O)c1cn(C)cn1 77524186 UUMUCBITRBYZGY-VIFPVBQESA-N 259.331 0.220 0 50 CCAA O=C(N[C@H]1CCN(CC(F)F)C1)c1cnn2c1CCC2 333193554 STIRGOLFMXJYBN-VIFPVBQESA-N 284.310 0.899 0 50 CCAA O=C1CCC(C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)=NN1 369844363 CCGKRZSETPCFPH-NEPJUHHUSA-N 293.367 0.918 0 50 CCAA C[C@H](NC(=O)[C@H]1COCCN1)c1nc2ccccc2n1C 237533491 KHDKHLCFIDYLFV-CMPLNLGQSA-N 288.351 0.739 0 50 CCAA COCc1nc(CNC(=O)c2cnn(C(C)C)c2)no1 77542098 ZGCYHFSHLPATDM-UHFFFAOYSA-N 279.300 0.923 0 50 CCAA O=C([C@@H]1COCCN1)N1CCO[C@H](c2ccccc2F)C1 237876813 KECRAOCAUAHJFM-KBPBESRZSA-N 294.326 0.714 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)Cn1nnc2ccccc21 238071452 UEMHHSWFMNMAOJ-LLVKDONJSA-N 274.280 0.507 0 50 CCAA CN1CCN(C(=O)C2(N)CC2)C[C@@H]1c1ccccc1 71767901 GGQJCPLMIVXCAG-CYBMUJFWSA-N 259.353 0.993 0 50 CCAA CN1CCO[C@@H](C(=O)N2CCC[C@H]2c2ccc(O)nn2)C1 530074843 FCVUIXIDZSGPNY-NWDGAFQWSA-N 292.339 0.176 0 50 CCAA COc1ncc(C(=O)N(C)[C@@H]2CCN(C)C2)cn1 426493207 OYYMXOGPMFTWPV-SNVBAGLBSA-N 250.302 0.261 0 50 CCAA Cc1ccn2c(C(=O)NCC[C@@H]3CCCOC3)nnc2n1 426678239 XLTDLZOTYVLULF-NSHDSACASA-N 289.339 0.979 0 50 CCAA C[C@@H](C(=O)NCCc1nncn1C)N1CCCCC1 426701603 MKKMNSJIHWHRMO-NSHDSACASA-N 265.361 0.348 0 50 CCAA COCCOc1cccc(C(=O)N2CC[C@H](N)C2)c1 237181783 JVJDECHGJBWVKD-LBPRGKRZSA-N 264.325 0.885 0 50 CCAA CCc1nccn1CC(=O)N1Cc2nnc(C)n2[C@H](C)C1 97137828 JLQMECLECFANLX-SNVBAGLBSA-N 288.355 0.949 0 50 CCAA O=C(NCc1nc(O)n[nH]1)c1cccc2nccnc12 348058218 YSZXXPOBMCSKGC-UHFFFAOYSA-N 270.252 0.384 0 50 CCAA Cc1nc2sccn2c1C(=O)NCCc1nc(N)n[nH]1 534670889 AYXCPLRFPYXWCQ-UHFFFAOYSA-N 291.340 0.377 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)Cc1nonc1C 534632393 VXZWJXGFLXNNRO-VIFPVBQESA-N 278.316 0.799 0 50 CCAA CN(C)[C@@H]1C[C@H]2C(=O)Nc3cccc(F)c3C(=O)N2C1 534658191 GZILRKNPMOXTJU-KCJUWKMLSA-N 277.299 0.923 0 50 CCAA CC(C)[C@H](NC(=O)C1(Cn2ccnc2)CC1)C(=O)O 534581245 FIQNNCQDKKDNCJ-JTQLQIEISA-N 265.313 0.889 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@@H](C)C1CCN(C)CC1 534580308 BISJQVPIVMGPBQ-QMMMGPOBSA-N 251.334 0.573 0 50 CCAA O=C(NCCOc1ccccc1F)[C@@H]1C=CCN1 827690919 ISFKIALXFGPXRA-NSHDSACASA-N 250.273 0.849 0 50 CCAA CNc1ncccc1C(=O)N[C@@H](C)c1nc(N)n[nH]1 584889342 KIYYASHWNOSRQX-LURJTMIESA-N 261.289 0.315 0 50 CCAA CC(=O)N1CCN(Cc2cnccc2Cl)C[C@H](O)C1 670464654 NMBSJHQEBARZNJ-LBPRGKRZSA-N 283.759 0.760 0 50 CCAA Cn1cc(CNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cn1 240529927 AIHLFQDHUTWHFF-NNYUYHANSA-N 275.308 0.559 0 50 CCAA N[C@H](C1CCC1)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958528180 NRDGACGDRXKZBY-FBTJUVTCSA-N 259.371 0.585 0 50 CCAA O=C(NC[C@H]1CCNC[C@@H]1O)c1ccncc1Cl 1565515148 RZGYFPXTONLEIM-KCJUWKMLSA-N 269.732 0.435 0 50 CCAA CCc1ccnc(C(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)c1 630012461 QJSGAJJLUKYFGT-CHWSQXEVSA-N 287.323 0.294 0 50 CCAA COc1cc(NC(=O)N(C)CC2(O)CCOCC2)ncn1 275632107 LOTLQQLFSOBBNK-UHFFFAOYSA-N 296.327 0.490 0 50 CCAA CN(CC1(CO)CC1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 275929464 WAHOYGLGCQHNGC-UHFFFAOYSA-N 289.335 0.711 0 50 CCAA O=C(C1CSC1)N1CCC(c2nc(O)n[nH]2)CC1 632808046 KOMWXMGWYOENPK-UHFFFAOYSA-N 268.342 0.579 0 50 CCAA CO[C@](C)(C(=O)NCCOC(N)=O)c1ccccc1F 170613619 IYUKRFZQGSJRSS-ZDUSSCGKSA-N 284.287 0.899 0 50 CCAA CN(C)c1n[nH]c(CNC(=O)N2C[C@@H]3COC[C@@]3(C)C2)n1 637789825 ZLSFEABCUDTEOM-NOZJJQNGSA-N 294.359 0.049 0 50 CCAA O=C(CN1CCCNC1=O)NOCc1cccnc1 747173709 BVRLCHCSFBFSLP-UHFFFAOYSA-N 264.285 0.045 0 50 CCAA O=C(CCc1ccoc1)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617714 IFLMGZSYVIIXGF-AWEZNQCLSA-N 290.323 0.841 0 50 CCAA CC(C)N1CCN(c2cc(C(N)=O)nc(Cl)n2)CC1 585132865 BNPCOKJNJRWBAM-UHFFFAOYSA-N 283.763 0.759 0 50 CCAA O=C1NCC2(CCCC2)C(=O)N1CCn1ccnc1 1615547544 JJYKQHFXCSNPPJ-UHFFFAOYSA-N 262.313 0.995 0 50 CCAA C[C@H](CCN(C)C(=O)NCC(=O)O)N1CCCC1 1506397218 ROQVUPYTNQFUIY-SNVBAGLBSA-N 257.334 0.587 0 50 CCAA O=C1OCC[C@@H]1N1CCO[C@H](c2nccs2)C1 225349087 CQOPLYMQEQKQOH-IUCAKERBSA-N 254.311 0.832 0 50 CCAA CCN(Cc1nc(C(F)(F)F)no1)[C@H](C)C(N)=O 1529162132 WTTZDLMTMZRURQ-RXMQYKEDSA-N 266.223 0.784 0 50 CCAA C[C@@H]1OCC[C@@]1(O)CNC(=O)Cc1cccnc1 228704891 FQHRJAYXWUEKPY-GXFFZTMASA-N 250.298 0.280 0 50 CCAA O=C(NCCC(=O)N1CCSC1)c1ncccc1O 1875261291 SFACJXXKVKWWLL-UHFFFAOYSA-N 281.337 0.440 0 50 CCAA Cc1cc(N2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)nc(N)n1 1704298290 IIMUWGYDYJWKGK-PWSUYJOCSA-N 288.355 0.439 0 50 CCAA O=C(O)[C@H]1C[C@@H](O)CCN1C(=O)COCc1ccccc1 65382009 RQVZNWBHOVNSMK-QWHCGFSZSA-N 293.319 0.640 0 50 CCAA CC(=O)N[C@@H]1CCCN(C(=O)C2(CN)CCCC2)C1 122986701 HOZFYACFLVZMHL-GFCCVEGCSA-N 267.373 0.633 0 50 CCAA Cc1cc(C)n(C[C@@H]2CN([C@H]3CCOC3=O)CCO2)n1 247102037 IGWXXLQZRWWXJG-STQMWFEESA-N 279.340 0.516 0 50 CCAA O=C(N[C@H]1CCCN2CCC[C@@H]12)c1n[nH]c2c1COCC2 1772808682 YDSRNHCVMWBMQW-STQMWFEESA-N 290.367 0.839 0 50 CCAA Nc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O 5783849 QQLJBZFXGDHSRU-UHFFFAOYSA-N 250.663 0.268 0 50 CCAA world Cc1nc[nH]c1CN1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857734683 ZZJDRPBEEAKCTC-OCCSQVGLSA-N 276.340 0.641 0 50 CCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1conc1C1CC1 616775296 GVRIUKAPSRJUKZ-DMDPSCGWSA-N 288.307 0.853 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)C(F)(F)F)CC1 111867498 AMBNSCGBNVWWQQ-UHFFFAOYSA-N 253.224 0.375 0 50 CCAA CC(C)n1cnnc1CNC(=O)c1ccc(C(=O)O)cn1 649462850 AEJGZKJKSHWIRF-UHFFFAOYSA-N 289.295 0.882 0 50 CCAA NC(=O)[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 132315503 VRLKOQBNXRVERN-WDEREUQCSA-N 266.272 0.647 0 50 CCAA COC/C(C)=C/Cn1cc(S(C)(=O)=O)ccc1=O 901556948 IKGQEWSFZJQHPO-UXBLZVDNSA-N 271.338 0.845 0 50 CCAA CNc1ccnc(N2C[C@H]3COC[C@@H](C2)CN3C)n1 1704337151 XGVPHDCIZQIRAF-MNOVXSKESA-N 263.345 0.285 0 50 CCAA CCC(=O)N[C@@H]1CCN(c2nc(O)cc(COC)n2)C1 952881956 SOTPSOKDLFFASZ-SECBINFHSA-N 280.328 0.434 0 50 CCAA CCOC(=O)CCS(=O)(=O)NCc1cncc(F)c1 952882944 LOZSREYJRIHUGK-UHFFFAOYSA-N 290.316 0.593 0 50 CCAA Cc1ncc(CCC(=O)N2CCOCCN2)s1 1875278702 WSEOZANREVFBTP-UHFFFAOYSA-N 255.343 0.748 0 50 CCAA CC1(C)COC(=O)[C@@H]1NC(=O)C[C@H]1C=C[C@@H](N)C1 1875315800 IALJAPLJOIJWJK-NGZCFLSTSA-N 252.314 0.348 0 50 CCAA O=C1C[C@H](CNc2ccc3c(c2)NC(=O)NC3)CN1 1776003363 LESLDZGQUAUBOH-MRVPVSSYSA-N 260.297 0.870 0 50 CCAA O=C(NC[C@H]1CNCCOC1)NC1CCCCC1 72135194 YUPCYYUZAHLKKK-LLVKDONJSA-N 255.362 0.854 0 50 CCAA O=C([C@@H]1CNCCOC1)N1CCOc2ccccc2C1 643651417 WIXNPDMZSVGOKE-CYBMUJFWSA-N 276.336 0.644 0 50 CCAA CN1C[C@H](c2nnc3n2CCSCC3)CC1=O 2100483812 NHURYIXDDDIXMI-MRVPVSSYSA-N 252.343 0.513 0 50 CCAA C[C@@H]1CC[C@@H](NC(=O)C(=O)C2CCCC2)C(=O)N1 2325811422 YINZIJWFJSHGRO-PSASIEDQSA-N 252.314 0.529 0 50 CCAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 556252 LABXQKPQFSMXPS-LLVKDONJSA-N 294.282 0.329 0 50 CCAA CCOC(=O)CNC(=O)CNC(=O)c1ccc(OC)cc1 1815635 SZRYBRUXNOYSEI-UHFFFAOYSA-N 294.307 0.104 0 50 CCAA COCCNC(=O)C(=O)N[C@@H](C)c1ccccc1 2899638 ZTGHIIIPMGBLDI-JTQLQIEISA-N 250.298 0.626 0 50 CCAA CCCCn1nc(C(=O)N2CC(N(C)C)C2)ccc1=O 225527780 UIPSXTYQZQNNDJ-UHFFFAOYSA-N 278.356 0.429 0 50 CCAA CCCC(=O)[C@H](OC(C)=O)C(=O)C(C)(OC)OC 101173057 KYBYSKMLXIEUNQ-JTQLQIEISA-N 260.286 0.865 0 50 CCAA O=C(CSc1n[nH]c(=O)[nH]1)NC[C@@H]1C[C@H]2CC[C@H]1C2 248682288 XDGKIEVDFPUBTB-CIUDSAMLSA-N 282.369 0.743 0 50 CCAA O=C(NCCN1CCc2ccccc2C1)c1c[nH]c(=O)cn1 67856839 HVCZZRPGTAWEFH-UHFFFAOYSA-N 298.346 0.558 0 50 CCAA Cc1noc([C@@H]2CCN(CC(=O)N=c3cc(C)o[nH]3)C2)n1 328947921 BQMFDQWUMAQJJK-SNVBAGLBSA-N 291.311 0.524 0 50 CCAA C[C@@H]1CCC[C@@H]1OC[C@@H](O)CN1CCN(CCO)CC1 22917810 CYSUXZOTEMFZIJ-ILXRZTDVSA-N 286.416 0.162 0 50 CCAA O=c1[nH]c2c(c(=O)[nH]1)CCN(Cc1ccccc1)C2 30678404 DYNBNPAECUWPPS-UHFFFAOYSA-N 257.293 0.622 0 50 CCAA CNC(=O)CCN=c1[nH]c2ccc(F)cc2n1C 431013832 KHFFRFUPBXCLGQ-UHFFFAOYSA-N 250.277 0.682 0 50 CCAA CCc1csc(CNC(=O)CN2CC[C@H](N(C)C)C2)n1 218971811 YJIFBSTZOFVSCG-LBPRGKRZSA-N 296.440 0.958 0 50 CCAA C[S@](=O)C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccccc1 262397881 LRPIEWJRSWYYFB-RGGGEEOPSA-N 295.360 0.943 0 50 CCAA C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N=c1ccc(O)n[nH]1 375525375 PZLLVVHJANHEGG-GHMZBOCLSA-N 299.334 0.710 0 50 CCAA CCc1ncc(C(=O)N2CCO[C@H](C(=O)O)C2)s1 237066979 GGAFPVKNFHMXOD-ZETCQYMHSA-N 270.310 0.631 0 50 CCAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(O)nc1 285607437 YFDNAQCFWJALMW-GWCFXTLKSA-N 288.307 0.781 0 50 CCAA C[C@@H](Cn1ccnc1)NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 333819558 JMDCEYDXFRMMGU-RWMBFGLXSA-N 277.372 0.617 0 50 CCAA NC(=O)[C@]1(O)CCCN(c2ncccc2C(F)(F)F)C1 284494391 CPEGHXHMMMFLPV-NSHDSACASA-N 289.257 0.917 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)CCc1cccnc1 220624213 RXYLWSQGTUTZFP-CHWSQXEVSA-N 264.325 0.934 0 50 CCAA O=C(O)CCCS(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 159664449 MLQAFRLDONXVNN-NXEZZACHSA-N 261.343 0.913 0 50 CCAA O=C(Nc1ncc[nH]1)[C@@H](Cc1ccccc1)n1cnnn1 223217300 JOBLGUJJYWROME-LLVKDONJSA-N 283.295 0.819 0 50 CCAA CN[C@@H]1CCCN(C(=O)c2ccc(CNC(N)=O)cc2)C1 132966986 BHWASKWSZKRVND-CYBMUJFWSA-N 290.367 0.679 0 50 CCAA C[C@H](C(=O)N1CCO[C@@H](C(=O)O)C1)C1CCOCC1 263301271 UOQMXICOJOWONW-GXSJLCMTSA-N 271.313 0.361 0 50 CCAA CCO[C@H](C)C(=O)NC1CCN(c2cnccn2)CC1 426716222 WKZPCQARWFOZPC-LLVKDONJSA-N 278.356 0.987 0 50 CCAA C[C@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)C1=CCCCC1 95510088 UHDKYHSPRYACMC-JTQLQIEISA-N 291.351 0.703 0 50 CCAA Cc1nonc1CC(=O)N1C[C@H](C2CC2)[C@@H](N)C1 91626267 OKJFHHRYWBGELG-ZJUUUORDSA-N 250.302 0.116 0 50 CCAA Cn1ccnc1C1CCN(Cc2nc(C(N)=O)no2)CC1 91951189 BNZKSMQHCHLKEX-UHFFFAOYSA-N 290.327 0.282 0 50 CCAA O=C1NCCCc2[nH]c([C@H]3CC(=O)N(C4CC4)C3)nc21 95378795 PCJSJWKYFBRONH-QMMMGPOBSA-N 274.324 0.564 0 50 CCAA COC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 91893252 KPTUIOBALREHDD-WDEREUQCSA-N 290.323 0.779 0 50 CCAA C[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)Cc2ccccc2O1 294010279 YDPDLBWYGQFJRR-SNVBAGLBSA-N 289.335 0.997 0 50 CCAA CCC1=NO[C@@H](CN2CCc3n[nH]c(C(=O)NC)c3C2)C1 244773950 PJGQFWIQWFDMAH-SNVBAGLBSA-N 291.355 0.682 0 50 CCAA N[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 299740264 XSKBZVKRRHFRDU-KFWWJZLASA-N 295.427 0.827 0 50 CCAA O=C(CN1CCC2(CC1)CNCCO2)N1CCCCCC1 534652315 YWKFTMOLWAJDNB-UHFFFAOYSA-N 295.427 0.843 0 50 CCAA Cc1cccc(Cl)c1S(=O)(=O)N[C@@H]1CNC[C@H]1O 534587166 XWFNBJMZALXJHO-NXEZZACHSA-N 290.772 0.259 0 50 CCAA O=C(O)CC[C@H]1CCCN1S(=O)(=O)[C@@H]1CCOC1 656161583 CCNIYTXFWAMUBI-NXEZZACHSA-N 277.342 0.434 0 50 CCAA CS(=O)(=O)N1CCCO[C@H](CN2CCCCC2)C1 824864468 PCYKZEDRILJZOI-GFCCVEGCSA-N 276.402 0.523 0 50 CCAA CCn1cnnc1[C@H](C)NS(=O)(=O)c1cccnc1 823592650 ZHAXHVVKHZIHKH-VIFPVBQESA-N 281.341 0.733 0 50 CCAA COc1cccc2c(=O)n([C@@H]3CCS(=O)(=O)C3)cnc12 584896052 PZEPCISAXZGQSN-SECBINFHSA-N 294.332 0.765 0 50 CCAA CSCC(=O)N1C[C@@H]2CCC[C@H](C1)C(=O)N2C 670468340 GFJJVNJMBRPKFV-ZJUUUORDSA-N 256.371 0.819 0 50 CCAA COC(C)(C)CNC(=O)N1C[C@H](N)C2(CCC2)C1 1553457678 RWMGZYUCUWLEFA-JTQLQIEISA-N 255.362 0.934 0 50 CCAA CCn1nncc1CNC(=O)N1C[C@@H](N)C2(CCC2)C1 1553509015 JMSAVSXPBPNTTD-LLVKDONJSA-N 278.360 0.321 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)Cc1ccc(CO)cc1 1565510003 HWRLWTBMBBTBNI-KBPBESRZSA-N 288.347 0.658 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CC[C@H](N)C[C@@H]1C 1565516154 NTFQFVLFJXPKRH-QWRGUYRKSA-N 286.401 0.964 0 50 CCAA N[C@H]1CCN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1O 1565513143 CADQQJRYXLQRLQ-HOTGVXAUSA-N 291.395 0.417 0 50 CCAA Cc1nc(CN(C)S(=O)(=O)N2CCCC[C@@H]2C)no1 408168290 IRJKAPLRKREZEP-VIFPVBQESA-N 288.373 0.929 0 50 CCAA O=C(COCc1ccccc1)N[C@H]1CCNC[C@@H]1O 219515717 MQUIXQZVBUNPQK-STQMWFEESA-N 264.325 0.042 0 50 CCAA COCc1nc2n(n1)C[C@H](NC(=O)c1ccn(C)c1)CC2 268684642 PIXAQTJURJXAAE-LLVKDONJSA-N 289.339 0.508 0 50 CCAA O[C@@]1(CN2CCN(c3ccc(F)cc3F)CC2)CCNC1 1580880575 SYGKJCIVJDBZCO-HNNXBMFYSA-N 297.349 0.811 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1Cc1ccnn1C 189832217 INSMGHMSZHCEMY-GFCCVEGCSA-N 250.346 0.767 0 50 CCAA CC1(C)C[C@@]1(C(=O)O)C(=O)N1CCC(NC(N)=O)CC1 663089686 CPUVEBMWCWCLCJ-ZDUSSCGKSA-N 283.328 0.147 0 50 CCAA C[C@@H](C(=O)N1CCCc2c(cnn2C)C1)N1CCOCC1 575760346 LPZIIPIQRSACQU-LBPRGKRZSA-N 292.383 0.416 0 50 CCAA O=C(O)c1csc(NC(=O)[C@H]2COCCO2)c1 575937861 CCTKOEUHIHYXFS-SSDOTTSWSA-N 257.267 0.800 0 50 CCAA C[C@H]1CN(c2ncc(F)cn2)C[C@@H](C)N1CCO 580402465 ISIGRPSWLUPEBS-AOOOYVTPSA-N 254.309 0.507 0 50 CCAA CCCCCOCC(=O)N[C@H](C)[C@H]1CN(C)CCN1C 585126293 VNQUWHXWACOMKN-ZIAGYGMSSA-N 285.432 0.944 0 50 CCAA CC[C@H](C)N(Cc1ccncc1)C(=O)CNC(N)=O 1506405881 LWOJRTNSPQVWFW-JTQLQIEISA-N 264.329 0.877 0 50 CCAA CC(=O)NC(C)(C)C[C@@H](C)NCCc1nncn1C 1506406631 NIVKBJJTYLDVBG-SNVBAGLBSA-N 267.377 0.641 0 50 CCAA O=C(Cn1cccn1)N[C@H]1COC[C@H]1Cc1ccncc1 1616073711 UFCLWTQNWAIUQA-KGLIPLIRSA-N 286.335 0.652 0 50 CCAA COC(=O)c1cc2c(nc1Cl)CCS(=O)(=O)C2 1857778617 BAYAYFKVOJBMND-UHFFFAOYSA-N 275.713 0.993 0 50 CCAA C[C@H](C(=O)N(CCO)Cc1ncc[nH]1)N1CCCCCC1 1704326611 JKDGXOCFYPVMRV-CYBMUJFWSA-N 294.399 0.995 0 50 CCAA O=C(c1ccon1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704280542 XGQYXHOFIJKQLP-BXKDBHETSA-N 274.280 0.140 0 50 CCAA CN1CC[C@@H]2CN(CCc3nccn3C)C[C@@H]2C1=O 1772805658 OKJGUGSHEPWNGV-NEPJUHHUSA-N 262.357 0.373 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)/C=C/c1ccccc1)C2 1875244653 XZPUJPLMXITTPI-AFJNRPGYSA-N 286.331 0.673 0 50 CCAA Cc1cccc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)n1 1875245117 KRNYVOVXOKVZLO-NEPJUHHUSA-N 289.335 0.319 0 50 CCAA CC(C)CCn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C 192135 WNCWKFRPEYCECO-UHFFFAOYSA-N 279.344 0.535 0 50 CCAA biogenic O=C(O)[C@@H]1CNCCN1C(=O)OCc1ccccc1 2539982 KEIDRYXLYCWVSP-NSHDSACASA-N 264.281 0.682 0 50 CCAA in-vitro C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N1CCC(n2cnnc2O)CC1 632807261 BNIVKIOXOJSTPF-SCVCMEIPSA-N 294.355 0.961 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O)c2cnn(C)c2n1 237842411 QJYNDSTXZRMZDW-LLVKDONJSA-N 288.307 0.966 0 50 CCAA C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)COC[C@@H]1CCCO1 585125206 KHTPUBLDRFCPHX-XQHKEYJVSA-N 298.383 0.648 0 50 CCAA CC(C)CN1CCO[C@H](CNC(=O)c2ccn(C)n2)C1 589443784 NJOXVFMKQLBFIG-GFCCVEGCSA-N 280.372 0.507 0 50 CCAA CCCC(=O)N1CCC[C@H](C(=O)Nc2ncnn2C)C1 162931951 ZYZWEVYNUGSGIO-JTQLQIEISA-N 279.344 0.792 0 50 CCAA Cc1nnc2ccc(N3CC[C@@](O)(C(F)(F)F)C3)nn12 266772711 YPTAPGSSKIGODE-JTQLQIEISA-N 287.245 0.936 0 50 CCAA CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2)CC1 36379759 MUWOCYONAOKDIN-NSHDSACASA-N 283.372 0.818 0 50 CCAA in-vitro CC(=O)N1CCC[C@H](C(=O)OCc2nnc(C)cc2O)C1 802173896 SYADJQLRYFFFII-NSHDSACASA-N 293.323 0.792 0 50 CCAA Cn1ncc(CN2CC[C@H](n3cc(C4CC4)nn3)C2)n1 931119688 AMBBKQPUFGUCNU-LBPRGKRZSA-N 273.344 0.731 0 50 CCAA Cc1cc(N2C[C@@H](N)[C@H](c3cncn3C)C2)nc(C)n1 872783368 WRIBKCJJMZTPKI-VXGBXAGGSA-N 272.356 0.758 0 50 CCAA Cc1cc(NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)on1 1875282567 JVGFIHABEXHSSI-BDAKNGLRSA-N 285.325 0.634 0 50 CCAA O=C(C1CC(N2CCOCC2)C1)N1CCNCC12CC2 1875360543 DGSQMCTUPQFOIC-UHFFFAOYSA-N 279.384 0.062 0 50 CCAA Cc1cnc2c(C(=O)NCC3(C)COC3)cnn2c1 896334534 OYCAKAAIFZMBDQ-UHFFFAOYSA-N 260.297 0.804 0 50 CCAA C[C@@H]1CN(C(=O)C2CN(C3CCOCC3)C2)CC[C@@H]1O 897453580 OQWDEGYPAKUILV-RISCZKNCSA-N 282.384 0.327 0 50 CCAA O=C(c1ncccc1O)N1CCN2C(=O)CC[C@H]2C1 168577404 SAYKLESVWOSWGA-VIFPVBQESA-N 261.281 0.234 0 50 CCAA O=C(O)[C@H]1C[C@@H](O)CCN1C(=O)c1cccs1 65507975 ZASMKOBPIXNNLL-JGVFFNPUSA-N 255.295 0.798 0 50 CCAA O=C(O)[C@@H]1CCCN(S(=O)(=O)NCC2=CCCC2)C1 663443438 DZUGHAQGAYEQKR-LLVKDONJSA-N 288.369 0.728 0 50 CCAA C[C@@H]1N(CCNS(C)(=O)=O)CCOC1(C)C 407948823 LCIHRSIECLERLV-VIFPVBQESA-N 250.364 0.035 0 50 CCAA Cn1cccc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 864275587 ZKBHLSPBDNVPKB-NSHDSACASA-N 280.324 0.882 0 50 CCAA CNC(=O)c1cc(N2CC[C@@](F)(CO)C2)ccn1 893728328 QNSORNOHCYEXNS-LBPRGKRZSA-N 253.277 0.352 0 50 CCAA CSc1nccc(N[C@@H]2CCS(=O)(=O)C2)n1 1155051371 WPNFNNOLDYAJSO-SSDOTTSWSA-N 259.356 0.798 0 50 CCAA c1ccc2[nH]c(CN3CCO[C@@H](c4nn[nH]n4)C3)nc2c1 2100534687 UDHWMVYPZZDIDI-LLVKDONJSA-N 285.311 0.650 0 50 CCAA CCn1nnc2cc(C(=O)N3[C@H]4CC[C@H]3C(=O)NC4)ccc21 2325787464 ALNBYWNERFLHOO-GWCFXTLKSA-N 299.334 0.554 0 50 CCAA CN1C(=O)CC[C@H](N2Cc3ccc(N)cc3C2=O)C1=O 2325901387 CAZZZPLILVNKBD-NSHDSACASA-N 273.292 0.372 0 50 CCAA O=C(CNS(=O)(=O)c1ccccc1)NCc1ccco1 467283 QERUYJGOUSNCOY-UHFFFAOYSA-N 294.332 0.874 0 50 CCAA COc1ccccc1OCC(=O)N1CCC(C(N)=O)CC1 785425 ABJKHVWZDXKCCZ-UHFFFAOYSA-N 292.335 0.798 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(=O)[nH]c1)C(=O)O 2540525 OGAQTPLFVQFAJL-VIFPVBQESA-N 282.296 0.895 0 50 CCAA COc1ccc(CCNC(=O)C(=O)NC(C)C)cc1 2864945 YZMKIQULUWOBPZ-UHFFFAOYSA-N 264.325 0.879 0 50 CCAA COC(=O)COC(=O)C[C@H](CC(N)=O)c1ccccc1 2917935 FEDMOWXXISZDCB-NSHDSACASA-N 279.292 0.752 0 50 CCAA Cn1nnnc1[C@@H]1CN(Cc2nc(C3CC3)no2)CCO1 2356168897 GTYYSRGSIRRSAE-VIFPVBQESA-N 291.315 0.044 0 50 CCAA CCO[C@H]1NC(=O)NC(=O)[C@@]1(C)Br 4529942 REDLIYNRQBSZJD-IYSWYEEDSA-N 251.080 0.342 0 50 CCAA COC(=O)N[C@H](C)C(=O)Nc1cnc2n1CCCC2 67805701 DJTMGCAHENCBGB-MRVPVSSYSA-N 266.301 0.902 0 50 CCAA O=C(Nc1nc[nH]n1)[C@H]1CC(=O)N(c2ccccc2F)C1 20736561 AFTBSFKEYGQJFU-QMMMGPOBSA-N 289.270 0.935 0 50 CCAA COC(=O)[C@@H]1COC[C@H](OC)N1C(=O)OC(C)(C)C 118552386 CSKNBUYMLWBSIE-IUCAKERBSA-N 275.301 0.768 0 50 CCAA CC1=C(C(=O)NCCc2c(C)n[nH]c2C)[C@H](C)NC(=O)N1 67822192 LZEDTNDREVNWQB-VIFPVBQESA-N 291.355 0.661 0 50 CCAA CCCCNc1cc(N2CC[C@@H](C(N)=O)C2)nc(N)n1 281250653 UPZCRDPERZNTKT-SECBINFHSA-N 278.360 0.582 0 50 CCAA CN(CC1CC1)C[C@H]1CN(C(=O)[C@H]2CCCOC2)CCO1 328623665 CBEFDOKFDPOKRS-GJZGRUSLSA-N 296.411 0.982 0 50 CCAA N[C@@H]1CC[C@@H](NC(=O)CCn2cc(Cl)cn2)C1 72163310 LMBJGTQAGGBTBJ-NXEZZACHSA-N 256.737 0.923 0 50 CCAA C[C@H]1CN(c2nccn(C(F)F)c2=O)C[C@H](C)S1=O 329436449 JDFILMDWLBNABE-YUMQZZPRSA-N 291.323 0.984 0 50 CCAA CNc1nc(C)cc(C(=O)N[C@]2(C)CCOC2)n1 287761365 QPPCSGFKEROUDQ-GFCCVEGCSA-N 250.302 0.736 0 50 CCAA C[C@H](C(=O)O)N(C)C(=O)c1cc(C2CC2)n(C)n1 262733083 CLGWEPGKVPUUSK-SSDOTTSWSA-N 251.286 0.843 0 50 CCAA Cc1noc([C@]2(O)CCN(C(=O)C3(O)CCCCC3)C2)n1 373023418 IFFKJWULALTOQH-AWEZNQCLSA-N 295.339 0.493 0 50 CCAA CNS(=O)(=O)CC(=O)N1CC[C@H](Cc2ccncc2)C1 374696528 XWYWGDOYHJISFY-GFCCVEGCSA-N 297.380 0.022 0 50 CCAA O=C(c1cn2cc(Cl)cnc2n1)N1CCOC[C@H](O)C1 77540913 PAKWEJJKPMLWAR-SECBINFHSA-N 296.714 0.216 0 50 CCAA Cn1cnnc1SCC(=O)N[C@H]1C[C@@H]2OCC[C@H]12 223067252 ZQUANSDMCIHBDI-VGMNWLOBSA-N 268.342 0.201 0 50 CCAA O=C(c1cnc[nH]1)N1CCCO[C@@H](Cn2cccn2)C1 221393641 JRAYTELMKWWPNZ-LLVKDONJSA-N 275.312 0.538 0 50 CCAA CN(C)c1nc(N)nc(C(=O)OCc2ccccc2)n1 225503573 TZHLYLOFGUJSEJ-UHFFFAOYSA-N 273.296 0.877 0 50 CCAA CCOC(=O)[C@H](C)Oc1ccc(-n2cnnn2)cc1 220948639 XPLNSCSCLBTDIU-VIFPVBQESA-N 262.269 0.993 0 50 CCAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)c1 222251603 BMZYEQKNCJNHEB-FOCJUVANSA-N 285.299 0.800 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@H]1CO 179616379 VHAFLHRGEIWVCN-QJPTWQEYSA-N 257.330 0.554 0 50 CCAA CN(C)[C@H](C(=O)NCCCO)c1cccc(F)c1 95378755 KCUVUUIRFUEZSX-LBPRGKRZSA-N 254.305 0.927 0 50 CCAA CCc1cnc(N)nc1N(C)C[C@@H](C)N1CCOCC1 91434699 UWWJLYBQJKGYNH-LLVKDONJSA-N 279.388 0.778 0 50 CCAA O=C(CCN1CC(O)C1)Nc1ccsc1C(=O)O 244633667 GHGTZKAITYULEC-UHFFFAOYSA-N 270.310 0.451 0 50 CCAA C[C@H](Cn1cnc2ccccc2c1=O)NCCn1cncn1 534656033 ZOYMCEIETADTCA-GFCCVEGCSA-N 298.350 0.666 0 50 CCAA Cc1cccc([C@H](C)NS(=O)(=O)N2CCN(C)CC2)n1 534634868 WGBKOCXHYMKUDA-LBPRGKRZSA-N 298.412 0.533 0 50 CCAA CC(C)n1cnnc1[C@H](C)NC(=O)CN1CCC(O)CC1 299785768 KLMCGZYXTAKLMT-NSHDSACASA-N 295.387 0.493 0 50 CCAA Cc1nc(CCn2cnc3cccnc3c2=O)no1 584887011 VFYAJKQCRPJCHN-UHFFFAOYSA-N 257.253 0.726 0 50 CCAA O=C(Nc1cccnc1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239235652 WKVLWXBEDYOYLD-DBIOUOCHSA-N 260.249 0.674 0 50 CCAA CNC(=O)C1(C)CCN(C(=O)[C@@H]2CC(C)=NO2)CC1 670435730 IQFIKHRYRWGRGP-JTQLQIEISA-N 267.329 0.526 0 50 CCAA Cc1ccc(-c2cc(C(=O)NCCn3ccnn3)n[nH]2)o1 679878751 JEXZLWXCGXRSFW-UHFFFAOYSA-N 286.295 1.000 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)c2ccc(OC)nc2)C1 670472680 WIGNZXPWXDGCQS-JTQLQIEISA-N 277.324 0.688 0 50 CCAA CN1C[C@@H](NC(=O)c2nc[nH]c2C(F)(F)F)CC1=O 1433669496 KRFMGNXULRCJOS-YFKPBYRVSA-N 276.218 0.389 0 50 CCAA Clc1cnn(CCN2CCN([C@H]3CCNC3)CC2)c1 244882757 XYISDPJDVFUTDN-ZDUSSCGKSA-N 283.807 0.516 0 50 CCAA CC(C)N(C)Cc1nc(CN2C(=O)NC(C)(C)C2=O)no1 274071209 UDAGUMJJIMLFKI-UHFFFAOYSA-N 295.343 0.740 0 50 CCAA CC(C)C[C@@H](CN)C(=O)N[C@H](C)CCn1cncn1 170677856 HTEUNANKGWSPFT-NEPJUHHUSA-N 267.377 0.794 0 50 CCAA CC(C)[C@H](NC(=O)C1CCN(C2CC2)CC1)C(N)=O 170615779 KZUUFASIZYWNPT-LBPRGKRZSA-N 267.373 0.487 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CNCCO2)[C@@H](c2ccccc2)CO1 187899015 HPNMHUNNXMMLIU-BPLDGKMQSA-N 290.363 0.963 0 50 CCAA O=C([C@@H]1CCC[C@H](O)C1)N1CCC(n2cnnc2)CC1 1074621407 YBLKDTMMJMFKMJ-YPMHNXCESA-N 278.356 0.993 0 50 CCAA C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)[C@H]1CCCO1 585125228 KVEGCRJMLYFSAX-CHWFTXMASA-N 254.330 0.666 0 50 CCAA CNC1CC(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)C1 1615555297 QCSBKRMFGAYTFK-ALWXLRNYSA-N 291.317 0.643 0 50 CCAA C[C@@H]1CN(C(=O)[C@@]2(C)CCCN2)C[C@]2(CCNC2)O1 1616041278 NRHUVRLOEGPALX-MRVWCRGKSA-N 267.373 0.108 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)C2=C(C)OCCO2)C1 1506401941 HGBKVVCQSANLQQ-SNVBAGLBSA-N 268.313 0.249 0 50 CCAA CCc1c(C)nn(C)c1NC(=O)CN(C)CCOC 1506424564 ATPSJOMCBNCCSH-UHFFFAOYSA-N 268.361 0.808 0 50 CCAA C[C@H]1CN(c2ncc(F)c(N(C)C)n2)CC(=O)N1 1506431649 TXQUYHBFRAXGKO-ZETCQYMHSA-N 253.281 0.006 0 50 CCAA O=C(O)Cc1ccc(CN2C[C@@H]3CNC(=O)C[C@@H]3C2)cc1 1800407861 ADUBFBJRFJGJMO-KGLIPLIRSA-N 288.347 0.882 0 50 CCAA CN(CCC(=O)O)C(=O)c1cnn(CC2CC2)c1 630137074 LWJRFEKVNDSUSK-UHFFFAOYSA-N 251.286 0.840 0 50 CCAA NC(=O)C[C@]1(O)CCCN(Cc2ncccc2Cl)C1 528524085 BFRLVSAMQRBGCM-CYBMUJFWSA-N 283.759 0.937 0 50 CCAA CC[C@@H](C)OCC(=O)N1CCC([C@H](O)C(=O)OC)CC1 443879150 FKGDBXNOYXATBD-MFKMUULPSA-N 287.356 0.574 0 50 CCAA O=S(=O)(CCN1CCNCC1)c1ccccc1 19850749 TWLDIXBOMAAMPT-UHFFFAOYSA-N 254.355 0.366 0 50 CCAA C[C@H]1CN2C[C@H](NC(=O)c3ccc(O)cn3)C[C@H]2CO1 1857710501 ZZVOXLDCMZLGKL-AXFHLTTASA-N 277.324 0.379 0 50 CCAA COCCN1CCN(C(=O)Nc2cccc(OC)n2)CC1 667333597 IOXDESXTHNPSIK-UHFFFAOYSA-N 294.355 0.886 0 50 CCAA COCCOc1cccc(C(=O)NCCn2ccnn2)c1 584908503 LJUUKHZFFKGHCL-UHFFFAOYSA-N 290.323 0.733 0 50 CCAA Cn1ccn2c(CSC[C@H]3CCOC3)nnc2c1=O 902509698 IGPYLOKOFLWNJZ-VIFPVBQESA-N 280.353 0.698 0 50 CCAA CNC(=O)c1n[nH]c(C2CCN(C(=O)[C@H]3C[C@H]3C)CC2)n1 818477613 FZFHSUVQLYNGPH-SCZZXKLOSA-N 291.355 0.526 0 50 CCAA CCn1cc(CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)nn1 931773608 QHFZCUXJTGTDNX-LLVKDONJSA-N 288.355 0.970 0 50 CCAA O=C(NN1CCCNC1=O)c1coc(C2CCOCC2)n1 1875252794 RAEBQTKKBQAHJH-UHFFFAOYSA-N 294.311 0.629 0 50 CCAA CCOC1CC2(C1)C[C@H]2NC(=O)C1(n2cncn2)CC1 1875392497 FREYTAPPAOFFGN-QWKFWESOSA-N 276.340 0.841 0 50 CCAA CN(C)C[C@@]1(O)CCN(c2cc(-n3ccnc3)ncn2)C1 895008864 GZSNKLZTRDUWRK-AWEZNQCLSA-N 288.355 0.165 0 50 CCAA O=C1CCCN1CCN1CCN(CC(F)(F)F)CC1 76805708 XHTPMRMMUIPHMA-UHFFFAOYSA-N 279.306 0.789 0 50 CCAA C[C@H]1OCC[C@]1(O)CNC(=O)c1cccc2c[nH]nc12 331591366 USPWZNYHQGRGRY-OTYXRUKQSA-N 275.308 0.833 0 50 CCAA O=S(=O)(NC[C@@]1(O)CCCNC1)c1ccccc1 534638589 NCYKTLAXPBYACL-GFCCVEGCSA-N 270.354 0.079 0 50 CCAA O=C([C@H]1CCOC1)N1CCC(c2nc[nH]n2)CC1 371923054 MJCYBRVYXSLPBX-JTQLQIEISA-N 250.302 0.547 0 50 CCAA Cc1noc([C@@H]2[C@H](C(=O)NO[C@@H]3CCOC3)C2(C)C)n1 2325792446 DVIJHNXTMHBQQS-BBBLOLIVSA-N 281.312 0.954 0 50 CCAA C/C=C/C(=O)O[C@@H]1C=C[C@H](O)[C@H](O)CCC(=O)O[C@@H]1C 2332926211 UONWLSGBOITROJ-YWQOKNFCSA-N 284.308 0.478 0 50 CCAA CN(C)C(=O)CSc1nnnn1-c1ccccc1 617578 LGBQAGJTKMBHLP-UHFFFAOYSA-N 263.326 0.843 0 50 CCAA Cn1nnc([C@@H]2CN(C(=O)CC3CCCC3)CCO2)n1 2356141568 HNYDJEQPARFLBZ-NSHDSACASA-N 279.344 0.690 0 50 CCAA OCCOCCN(CCOCCO)Cc1ccccc1 3157018 HBHHHXUOMCTWCK-UHFFFAOYSA-N 283.368 0.506 0 50 CCAA CCOC(=O)NCc1ccc(S(N)(=O)=O)cc1 4206718 PWRGLCWLRAPYLW-UHFFFAOYSA-N 258.299 0.580 0 50 CCAA COc1ccc(CCNC(=S)NN)cc1OC 6411682 QQXGPRQIXQPVTQ-UHFFFAOYSA-N 255.343 0.584 0 50 CCAA CN(C)c1ccc(N[C@@H]2CC(=O)N(N(C)C)C2=O)cc1 100571976 TUAYASLEKCKWKH-GFCCVEGCSA-N 276.340 0.769 0 50 CCAA CC(C)n1cnc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 281196969 JXJWOHDSDOHJMY-GFCCVEGCSA-N 285.369 0.771 0 50 CCAA O=C(O)[C@@H]1CCC[C@H](C(=O)N2CCS(=O)(=O)CC2)C1 111472404 JPVYPOHTNDYSCD-VHSXEESVSA-N 289.353 0.134 0 50 CCAA CC(F)(F)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 225838306 DQPXXXPLMLZLLA-UHFFFAOYSA-N 289.326 0.408 0 50 CCAA CC1(C)[C@]2(C(=O)Nn3cnnc3)CC[C@@]1(C)OC2=O 67446957 SHXGCSILEMITOW-NEPJUHHUSA-N 264.285 0.470 0 50 CCAA C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCCO1 248274471 XSNLBIMSNZTEND-HBNTYKKESA-N 290.385 0.094 0 50 CCAA Cc1nc([C@H](C)NC(=O)c2cc(Cl)c[nH]c2=O)n[nH]1 67947634 MIEJDOFKDISDRT-YFKPBYRVSA-N 281.703 0.946 0 50 CCAA CC(C)(C)c1nnnn1C[C@@H]1CCCS(=O)(=O)C1 328816788 CXPVRGRPUHVTAG-VIFPVBQESA-N 272.374 0.795 0 50 CCAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 169025 QSNFIHUMOVLUQU-MNOVXSKESA-N 267.256 0.574 0 50 CCAA CNS(=O)(=O)CCNc1nc2ccccc2n1C 231004304 MVTQJWULPIPASJ-UHFFFAOYSA-N 268.342 0.534 0 50 CCAA CC(C)OCC(=O)N1CCC[C@@H](c2nnc(O)o2)C1 330601873 VYFGPOQFIRFNIK-SECBINFHSA-N 269.301 0.906 0 50 CCAA O=C(CN1CCc2[nH]ncc2C1)Nc1nccs1 125824559 XSPGQDNIFSZMQU-UHFFFAOYSA-N 263.326 0.863 0 50 CCAA Cn1nnnc1CN1C(=O)N[C@]2(CCC(C)(C)C2)C1=O 366825322 PVBLTCWEQOCLHB-LBPRGKRZSA-N 278.316 0.211 0 50 CCAA Cn1cc(CN2CCC(c3ccnn3CCO)CC2)nn1 331954658 REXRMMGIJWUVIN-UHFFFAOYSA-N 290.371 0.384 0 50 CCAA O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccoc1 332175138 XDKJXLSWYKLEFM-GFCCVEGCSA-N 278.308 0.789 0 50 CCAA CC(C)S(=O)(=O)CC(=O)NC1(C(=O)O)CCCC1 261919071 XLFPOVYLAFYHAX-UHFFFAOYSA-N 277.342 0.323 0 50 CCAA CN(C(=O)N=c1[nH]nc(C(C)(C)C)s1)[C@H]1CNC[C@@H]1O 333121830 GQUOEEMROJUSGE-YUMQZZPRSA-N 299.400 0.054 0 50 CCAA C[C@H](O)C(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1 71759011 NXZGNJKBOYTOIA-JTQLQIEISA-N 299.330 0.702 0 50 CCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCc1ccsc1 42970680 KUGXDBHIUHLINJ-QMMMGPOBSA-N 267.310 0.353 0 50 CCAA Cc1cc(C(F)(F)F)nc(N2CCN[C@H](C(N)=O)C2)n1 374952469 LTKQFPQYWCXRQT-ZETCQYMHSA-N 289.261 0.067 0 50 CCAA CN1C(=O)CC[C@@H](N[C@H]2CCCOC2)[C@@H]1c1ccnn1C 284862143 PEHUWUFBLJZWMG-YWPYICTPSA-N 292.383 0.851 0 50 CCAA Nc1nc(CNC(=O)c2ccc3cc[nH]c3c2)n[nH]1 223797186 CLOKDGNKAJSGHU-UHFFFAOYSA-N 256.269 0.798 0 50 CCAA O=C(Cc1ccsc1)N1C[C@H](O)[C@@H](N2CCCC2)C1 223342309 QRDCQYKLAROUES-STQMWFEESA-N 280.393 0.958 0 50 CCAA C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccc(C(=O)O)cc1 263555882 OGFPPCRANLBNGA-JOYOIKCWSA-N 299.348 0.982 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)c1ccc2c(=N)[nH]cnc2c1 613876650 PWYJMGHGRGZLHE-VIFPVBQESA-N 299.334 0.393 0 50 CCAA O=C(c1cnc[nH]1)N1CCOc2ccc(CO)cc2C1 221345606 TZTFCLGPECZHFE-UHFFFAOYSA-N 273.292 0.937 0 50 CCAA Cn1ccc2c(C(=O)N3CC[C@@H](N)[C@H](O)C3)cccc21 82134590 LZOCYUAAGPUJSU-TZMCWYRMSA-N 273.336 0.712 0 50 CCAA NC(=O)c1ccnc(N2CCC3(CC2)OCCC[C@@H]3O)c1 91617062 UVAUEKDOKFAXDH-LBPRGKRZSA-N 291.351 0.691 0 50 CCAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(N)nc1)CC2 91848860 RQVSJHDCAYXUKM-NEPJUHHUSA-N 291.351 0.666 0 50 CCAA Cc1nc(NCCOc2nonc2C)c2cnn(C)c2n1 95392144 HNLFHRUHIZAZMK-UHFFFAOYSA-N 289.299 0.854 0 50 CCAA COc1c[nH]c(C(=O)N2CCC(F)CC2)cc1=O 97272569 MSMPFGYTWMGBIX-UHFFFAOYSA-N 254.261 0.958 0 50 CCAA O=S1(=O)CCN(Cc2cc(-c3ccncc3)no2)CC1 244619969 FJLAZWQLDJBSKV-UHFFFAOYSA-N 293.348 0.967 0 50 CCAA CC[C@@H](NC(=O)Cn1cccnc1=O)c1nccs1 348921445 MORCYWDJRCGOFD-SECBINFHSA-N 278.337 0.967 0 50 CCAA CCN(C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2N)C1 299738528 BYYFCJOPRSAGSS-AVGNSLFASA-N 253.390 0.914 0 50 CCAA COCC1(CNC(=O)[C@H](NC(C)=O)C(C)C)CC1 534653067 VCVHLIDZMNFSDQ-LLVKDONJSA-N 256.346 0.690 0 50 CCAA CCCn1nccc1S(=O)(=O)NC1CCNCC1 534586760 VHSAUDTXTQSNPA-UHFFFAOYSA-N 272.374 0.323 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)CSc1nc(N)n[nH]1 822620008 YNYNXXRCCQPITM-QMMMGPOBSA-N 295.372 0.271 0 50 CCAA CCN1CCC(CN[C@H]2CCOC2)(N(C)C)CC1 823107392 YUAKZRXSRRCLQZ-ZDUSSCGKSA-N 255.406 0.781 0 50 CCAA COc1ccc(Cc2ncnn2CCO)c(OC)c1 828778491 RKYDEVSDOGMRPA-UHFFFAOYSA-N 263.297 0.878 0 50 CCAA CCc1nc(S(=O)(=O)NCC(=O)O)cn1CC1CC1 663250651 COYIDJWYPWDFRZ-UHFFFAOYSA-N 287.341 0.218 0 50 CCAA Cn1ncnc1CCN[C@@H]1CCC(=O)N(CC2CC2)CC1 584897041 IWSGMEACTVJOFS-CYBMUJFWSA-N 291.399 0.738 0 50 CCAA O[C@H]1CN(c2cc(C3CC3)ncn2)C[C@@H]1N1CCOCC1 670473496 PQLDBKBDDGDVNK-KBPBESRZSA-N 290.367 0.236 0 50 CCAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1)O[C@H]1CNOC1 585137079 HFLXCKPLCABXRM-KGLIPLIRSA-N 291.351 0.891 0 50 CCAA CC(C)c1nccn1CCCNC(=O)[C@@H]1CCN1 670448670 WPPQAXJUAYEFQQ-NSHDSACASA-N 250.346 0.875 0 50 CCAA O=C1NC(=O)[C@H](CCC(=O)N2C[C@H]3CC=CC[C@H]3C2)N1 952982722 YLUJLVASRMWDNW-AXFHLTTASA-N 277.324 0.399 0 50 CCAA CC1=C(C(=O)NCC[C@H]2CCCN2C)OCCO1 952976452 NNMUVHMDJHUJSL-LLVKDONJSA-N 254.330 0.865 0 50 CCAA Cn1nc(C2CC2)cc1CNC(=O)[C@]12CC[C@H]1CNC2 1579992952 OSHKVEWRIVGMIA-NHYWBVRUSA-N 274.368 0.913 0 50 CCAA C[C@H]1CO[C@H](CO)CN1C(=O)Cc1cnn2c1CCCC2 631877314 BSWSTVCLDRWXQH-AAEUAGOBSA-N 293.367 0.370 0 50 CCAA CN(C)c1ccc(S(=O)(=O)Nc2nnc[nH]2)cc1 170617489 MWBHHXQSMRILMC-UHFFFAOYSA-N 267.314 0.672 0 50 CCAA CC[C@H](C)S(=O)(=O)NC(=O)c1nn(CC)nc1C 408134423 UCYMYFKEHLYCQR-ZETCQYMHSA-N 274.346 0.465 0 50 CCAA C[C@@H]1COCCCN1C(=O)NCc1nc(N(C)C)n[nH]1 637786335 GYYAGISLTHHRJX-SECBINFHSA-N 282.348 0.191 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(c2ccnc(C3CC3)n2)C1 643714337 QXPJCSVNAQGKPA-AWEZNQCLSA-N 276.340 0.561 0 50 CCAA NC(=O)C[C@]1(O)CCCN(CCOCC2CCCC2)C1 643807864 DTWLGTLFMWHISR-OAHLLOKOSA-N 284.400 0.896 0 50 CCAA CN1CCN(CC(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1=O 564401495 CMXBPGPSRMDIJS-UONOGXRCSA-N 287.363 0.433 0 50 CCAA O=C(O)CCN(Cc1ccccc1)C(=O)[C@H]1COCCO1 675946507 HOGKUSXIMRFABS-CYBMUJFWSA-N 293.319 0.905 0 50 CCAA CCCN1CC[C@@H](CNc2nccnc2C(=O)O)C1 584886328 FXCZQIODRBLRTD-JTQLQIEISA-N 264.329 1.319 0 50 CCAA CS(=O)(=O)C1(C(=O)N2CCC[C@@H](CCO)CC2)CC1 1548490855 HHAGOTVYLVUNNS-LLVKDONJSA-N 289.397 0.575 0 50 CCAA NC(=O)[C@@H](NC(=O)C[C@H](N)Cc1ccccc1)C1CC1 1875287698 VPGFUZIVUUSVMJ-OCCSQVGLSA-N 275.352 0.327 0 50 CCAA CN(Cc1cncn1C)CC1(CO)CCOCC1 215828661 QTKPTLKILNNLHO-UHFFFAOYSA-N 253.346 0.641 0 50 CCAA CN1CCN(C)[C@@H](CNc2ncc(F)c(N(C)C)n2)C1 1506400179 ARFSJNZYFHTARH-JTQLQIEISA-N 282.367 0.339 0 50 CCAA C[C@H](C(=O)NC1CCCC1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1529146320 MQRGDOCTRQJBMN-RKEKIRQTSA-N 296.411 0.497 0 50 CCAA O=C(CNc1ccc(F)cc1)N1C[C@@H](O)[C@H](F)C1 1857681985 FHKLZVAQPICRKI-GHMZBOCLSA-N 256.252 0.779 0 50 CCAA CCn1ccnc1CN1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704335196 AUXQVCFBPKXBEU-BETUJISGSA-N 279.296 0.264 0 50 CCAA CCn1cc(S(=O)(=O)N2CC(N(C)C)C2)nc1C 408182056 ICBDHDGKSODVPL-UHFFFAOYSA-N 272.374 0.146 0 50 CCAA Cc1cc(C(=O)N2CCCN([C@@H](C)CO)CC2)n[nH]1 368948424 CIRYBUYTMZLTJV-NSHDSACASA-N 266.345 0.247 0 50 CCAA COCCC1(C(=O)N2CCS(=O)(=O)CC2)CC1 161511685 TZPKGKDMQVAKIU-UHFFFAOYSA-N 261.343 0.060 0 50 CCAA O=C1CO[C@]2(CCN(Cc3[nH]nc4ncccc34)C2)CN1 1775978235 DGENBRPDPSIAOA-CQSZACIVSA-N 287.323 0.049 0 50 CCAA COCCN1C(=O)N(C(C)C)C(=O)C12CCN(C)CC2 14753841 GNHOZTGFZAEHBQ-UHFFFAOYSA-N 283.372 0.770 0 50 CCAA CN1C2(CCC2)COC[C@@]1(CO)CN[C@H]1COC(C)(C)C1 527948659 JQFCAAJHNOHGDV-CJNGLKHVSA-N 298.427 0.759 0 50 CCAA CCOCCN1CCN(c2ccc3nnnn3n2)C[C@H]1C 240333528 FEASGEFOLHGHNQ-LLVKDONJSA-N 291.359 0.066 0 50 CCAA CNC(=O)c1ccc(N2C[C@H](OC)C[C@H]2COC)nn1 343733683 DCPWFHHUDREBPO-VHSXEESVSA-N 280.328 0.076 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCC[C@@]12CCOC2 1124019228 BMRMCUUPZGOYOR-AWEZNQCLSA-N 266.341 0.850 0 50 CCAA Cc1ncc(C(=O)NCCc2cccnc2)c(N)n1 857435172 YQRYNKOAKHFVKK-UHFFFAOYSA-N 257.297 0.735 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)N=c2nc(C3CC3)[nH]s2)C1 1875268137 NHXAORITWNTFHW-SECBINFHSA-N 295.368 0.580 0 50 CCAA COCc1cc(C(=O)N[C@@H]2CCOC23CCOCC3)no1 890438765 MKNQTEJNYYCJQV-GFCCVEGCSA-N 296.323 0.889 0 50 CCAA O=C1CC[C@H](N2Cc3cc(C(=O)O)ccc3C2=O)C(=O)N1 958536053 BMBNTSFSFRJPGO-JTQLQIEISA-N 288.259 0.146 0 50 CCAA CC(C)c1nccc(NC[C@]2(CO)COCCN2C)n1 895613562 YKHMXQODBSTIEM-AWEZNQCLSA-N 280.372 0.705 0 50 CCAA N[C@@H]1CN(C(=O)CN2CCC(CO)CC2)CC12CCC2 1775962568 STJDCDZNDJNUEH-CYBMUJFWSA-N 281.400 0.031 0 50 CCAA C=CC(=O)NCCC(=O)N(C)c1c(C)noc1C 1319327006 QGPKNRDSJYQJIF-UHFFFAOYSA-N 251.286 0.947 0 50 CCAA C[C@H]1CC[C@@H](N2CCN(CCOCCO)CC2)C1 23280147 HXVIECWWFQJMOW-UONOGXRCSA-N 256.390 0.802 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)c3cncc(O)c3)[C@@H]2C1 285678575 HNKVTMOHZBEEQE-CHWSQXEVSA-N 277.324 0.332 0 50 CCAA Cn1ccnc(NCC[C@H](O)C(F)(F)F)c1=O 608086209 QHMQFGXWHCJTBR-LURJTMIESA-N 251.208 0.506 0 50 CCAA CCC1(O)CCN(C(=O)CCn2ccnn2)CC1 330436254 NFPPJEIRIQNCHL-UHFFFAOYSA-N 252.318 0.432 0 50 CCAA COc1ccc(NC(=O)N[C@@H]2CNC[C@H]2O)cc1 534665535 LLLZGVSDACOJRG-GHMZBOCLSA-N 251.286 0.149 0 50 CCAA COc1nccnc1NC1CCS(=O)(=O)CC1 686301186 QZPIFWWRKGZSDW-UHFFFAOYSA-N 257.315 0.474 0 50 CCAA Cc1c(NC(=O)c2cnn(C)c2N)cccc1C(N)=O 725157011 GTALAKVIAWHKOQ-UHFFFAOYSA-N 273.296 0.662 0 50 CCAA CCOC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 296102 ZFRGTRQJVGNREC-UHFFFAOYSA-N 299.348 0.884 0 50 CCAA Cn1nnnc1SCC(=O)NCc1ccco1 421107 LYQLJCRNAOFUAS-UHFFFAOYSA-N 253.287 0.212 0 50 CCAA CCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1 614837 SLLGIYVMUCPROV-UHFFFAOYSA-N 276.745 0.836 0 50 CCAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCC3)ccc21 615135 VGHOTDOJGUEBQG-UHFFFAOYSA-N 295.364 0.662 0 50 CCAA CCOC(=O)[C@@H](Sc1cc(C)nc(N)n1)C(C)=O 616479 PAUCTRRADXDUBD-VIFPVBQESA-N 269.326 0.980 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)cc1 617360 YDHWEEPSGQVJGO-LLVKDONJSA-N 268.338 0.633 0 50 CCAA CC(=O)CSc1nc(N(C)C)nc(N(C)C)n1 619317 DDNYOERRJOXQAJ-UHFFFAOYSA-N 255.347 0.685 0 50 CCAA NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 2878222 HDRSROPGQIMMCL-SNVBAGLBSA-N 268.338 0.573 0 50 CCAA CCNS(=O)(=O)c1ccc(CCC(N)=O)cc1 4811247 SWMRQXYZPJDRRY-UHFFFAOYSA-N 256.327 0.403 0 50 CCAA CCOC(=O)C(C(=O)OCC)=C(N)C(F)(F)F 100301220 UCZJFVPDDKIJMO-UHFFFAOYSA-N 255.192 0.888 0 50 CCAA Cc1oc(CNC(=O)[C@@H](C)S(C)(=O)=O)cc1C(=O)O 134435108 NGJVQJXRTWQCCZ-SSDOTTSWSA-N 289.309 0.336 0 50 CCAA CN1CCN(CCNS(=O)(=O)Cc2ccccc2)CC1 20819566 AMJUWWCSLYNNRP-UHFFFAOYSA-N 297.424 0.353 0 50 CCAA O=C(O)C[C@H]1NC(=O)N(c2ccnc(Cl)c2)C1=O 409413100 CGNHOHAHXKIUFH-ZCFIWIBFSA-N 269.644 0.635 0 50 CCAA Nc1nc(NCc2ccncc2)cc(N2CCOCC2)n1 65371205 RMIDGFUJORGBDU-UHFFFAOYSA-N 286.339 0.903 0 50 CCAA CN(CC1CC1)C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)CCO1 328623666 CBEFDOKFDPOKRS-HUUCEWRRSA-N 296.411 0.982 0 50 CCAA Cc1noc(CN(C)C(=O)c2nnc(CN(C)C)o2)n1 71754385 FNZKUJYFHHPQLP-UHFFFAOYSA-N 280.288 0.095 0 50 CCAA CC(=O)N[C@@H]1[C@@H](NC(=O)Cc2ccncc2)[C@H]2CCO[C@H]21 219280188 NFGCIIAPKDMUMD-FAAHXZRKSA-N 289.335 0.032 0 50 CCAA C=CC(=O)NCCC(=O)N[C@H]1COc2ccccc2[C@@H]1O 366530510 LNIIWAPPNGGYJF-NHYWBVRUSA-N 290.319 0.290 0 50 CCAA CCC1=NO[C@H](C(=O)NCc2cnc3cnccn23)C1 219593806 PDRRRZDZWJJGHL-NSHDSACASA-N 273.296 0.900 0 50 CCAA O[C@@]1(CN2CCC(CCn3cccn3)CC2)CCNC1 72424718 QGFWPICBOPQYCC-HNNXBMFYSA-N 278.400 0.710 0 50 CCAA F[C@H]1C[C@@H](CN[C@H]2CCOC2)N(c2cccnn2)C1 369545650 IYUIXNDQOCCZRX-SRVKXCTJSA-N 266.320 0.772 0 50 CCAA O=C(NC1CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1NC2 333625919 ZHYOEONKZWHJAK-FMKGYKFTSA-N 291.395 0.644 0 50 CCAA Cn1cncc1CNC[C@]1(N2CCOCC2)CCSC1 237934131 KZYJWOUJYVEGIG-CQSZACIVSA-N 296.440 0.718 0 50 CCAA NC(=O)[C@]1(O)CCCN(Cc2cccc(F)c2F)C1 284913715 SQWOYCRRLZFGOI-ZDUSSCGKSA-N 270.279 0.777 0 50 CCAA C[C@H]1CN(Cc2nc(N(C)C)no2)C[C@H]1N1CCOCC1 241720850 QSVQIRHBMCLCKQ-NWDGAFQWSA-N 295.387 0.288 0 50 CCAA CC(C)c1[nH]ccc1C(=O)NCC(=O)N1CCOCC1 285884823 SUBIICHYUXDXJR-UHFFFAOYSA-N 279.340 0.727 0 50 CCAA Cn1ncc(NC(=O)Cn2ncc3cccnc32)n1 48135088 UHHGCKIJQYFAIX-UHFFFAOYSA-N 257.257 0.199 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N[C@H](C(=O)O)C(C)C 426395478 YQEJNMLNPIVSTK-VIFPVBQESA-N 255.274 0.192 0 50 CCAA c1cnn([C@H]2CCN(c3nccn4cnnc34)C2)c1 292442026 VXZSWXWIZSXJOI-JTQLQIEISA-N 255.285 0.772 0 50 CCAA O=C(O)CCN1CCN(Cc2nccs2)CC1 94969217 LPYYRGYQRNWKOZ-UHFFFAOYSA-N 255.343 0.735 0 50 CCAA C[C@H]1OCCN(C(=O)Nc2ccc(C(N)=O)nc2)[C@@H]1C 180596527 OWOHWAAFZCIXLA-RKDXNWHRSA-N 278.312 0.822 0 50 CCAA CNC(=O)[C@H]1CN(c2ccncc2Cl)CCO1 181152801 ZCOBTHRRXCGPEY-SNVBAGLBSA-N 255.705 0.686 0 50 CCAA O=C([C@@H]1CCCN1)N1CCC[C@H](C2OCCO2)C1 182105197 AOCLDIVDCJJYHX-QWRGUYRKSA-N 254.330 0.350 0 50 CCAA Cc1ccc([C@H](O)CN2CCC([C@H](O)C(N)=O)CC2)cc1 299747175 CHLKUOSALNTTQZ-CABCVRRESA-N 292.379 0.587 0 50 CCAA CCCN(CC(=O)O)C(=O)c1ccnc(-n2cncn2)c1 184886684 HZSJGGCSJDPUHY-UHFFFAOYSA-N 289.295 0.599 0 50 CCAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(CCn1ccnc1)CC2 299795820 MEVAJQRPDGENTR-HZSPNIEDSA-N 265.357 0.887 0 50 CCAA CN(CCc1noc(C2CC2)n1)C(=O)[C@H]1C=CCN1 299769799 VDGHOZZQXQTZJM-SNVBAGLBSA-N 262.313 0.476 0 50 CCAA O=C(O)C(=O)CSN1C(=O)c2ccccc2C1=O 725377537 SFSKFZLMOPODDS-UHFFFAOYSA-N 265.246 0.585 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)NCC1(COC)CCC1 824346826 GDBUAGFLCXVAPE-LLVKDONJSA-N 278.418 0.721 0 50 CCAA CN1CC[C@](C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)C1 823754952 JLVMTTOWALHANV-WTBMIXGQSA-N 252.314 0.117 0 50 CCAA COC[C@H](C)NC(=O)C1CCN(CCn2cnnc2)CC1 670468377 VWLLKCQSBWBAST-LBPRGKRZSA-N 295.387 0.141 0 50 CCAA C=CC(=O)N1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 1335867606 VNRHTJZYDSSECC-GFCCVEGCSA-N 289.335 0.997 0 50 CCAA Cc1cc(CCNC(=O)[C@]23CC[C@H]2CNC3)nn1C 1341161166 LAGOJLWACINJSK-FZMZJTMJSA-N 262.357 0.387 0 50 CCAA Cc1cnc(CCNC(=O)N2C[C@H](N)C3(CCC3)C2)cn1 1553489030 OIZZCHXENIMXTL-ZDUSSCGKSA-N 289.383 0.850 0 50 CCAA CNC(=O)C1CN(C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)C1 170082687 KZCXJSPGVPIUAX-TVQRCGJNSA-N 274.320 0.756 0 50 CCAA NC(=O)NCCC(=O)N1CC[C@@H](N2CCCCC2)C1 408101824 UTNJLMPJJZPPKG-LLVKDONJSA-N 268.361 0.132 0 50 CCAA CO[C@]1(CNC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)CCOC1 408336037 XVVDEYRARNBTCJ-OXHZDVMGSA-N 269.341 0.866 0 50 CCAA CN1CC[C@H](C(=O)NCCN2CCOCC2(C)C)CC1=O 170863688 SAPFRCXNRLIAAU-LBPRGKRZSA-N 297.399 0.082 0 50 CCAA NC(=O)C[C@]1(O)CCCN(Cc2ccc3c(c2)CCO3)C1 643745826 VPLANISXLDLKHO-MRXNPFEDSA-N 290.363 0.824 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1ncnn1C(C)(C)C 643823532 UIJUQJKCNQOTGA-CQSZACIVSA-N 295.387 0.499 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc(OC)nc1 643944719 MQLICNQYDOHNKR-AWEZNQCLSA-N 293.323 0.197 0 50 CCAA O=C(O)c1cn([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)nn1 565032315 XQSCZUFLJIPKOS-KOLCDFICSA-N 294.311 0.319 0 50 CCAA O=C([C@@H]1CCCN1)N1CCC([C@@H](O)C(F)(F)F)CC1 195554389 AGQLRGJTNKELIU-VHSXEESVSA-N 280.290 0.900 0 50 CCAA Cc1cn(C)nc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 572975961 HLHWFAJDBMAZGX-LLVKDONJSA-N 295.339 0.586 0 50 CCAA C=CC(=O)NCCC(=O)NCc1csc(C)n1 773282181 WAQXUAOHFFZLKS-UHFFFAOYSA-N 253.327 0.760 0 50 CCAA NCc1ccc(C(=O)NCCCc2nnn[nH]2)cc1 95146504 VMYNSBWGMIPHGH-UHFFFAOYSA-N 260.301 0.021 0 50 CCAA Cc1ccc(=O)n(CC(=O)N2CCOC[C@@H]2C2CCC2)n1 1615047023 YCCYEHGKHCHUTR-CYBMUJFWSA-N 291.351 0.579 0 50 CCAA Cn1cncc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1523434206 NGNJVAIIUPIAIO-DGCLKSJQSA-N 256.309 0.775 0 50 CCAA CN(CCn1cnnc1)C[C@H]1CC(=O)N(C(C)(C)C)C1 1506413806 VYILCFOCALESHO-GFCCVEGCSA-N 279.388 0.857 0 50 CCAA CC(=O)Nc1nonc1NC(=O)CCCn1cncn1 1529125656 VCWSTJGJTHBDRN-UHFFFAOYSA-N 279.260 0.038 0 50 CCAA CCn1ncnc1[C@H](C)NC(=O)c1nsnc1C 1857689432 PSDACAPAWHJWKJ-ZETCQYMHSA-N 266.330 0.949 0 50 CCAA CC(=O)NCC(=O)N1CCCC[C@@H]1c1ccnn1C 407959398 UMCNISMSONBCNQ-GFCCVEGCSA-N 264.329 0.610 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)N(C)c1cnn(C)c1 408233075 RKHMCZJRZFHBMP-LLVKDONJSA-N 250.302 0.394 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(CC2(COC)CCC2)C1 643818346 LTPNMYXYMRNBIT-HNNXBMFYSA-N 284.400 0.766 0 50 CCAA CC(=O)N1CC(C(=O)N(C)[C@H]2CC[C@H](O)CC2)C1 336067348 PBDNSOOIPCXIDF-HAQNSBGRSA-N 254.330 0.227 0 50 CCAA COCc1nc(O)cc(NCc2nc(C(N)=O)co2)n1 1875331794 VYPWMZXZBAPXAM-UHFFFAOYSA-N 279.256 0.028 0 50 CCAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCOCC1 11844123 SZCWOAWDWNIEPZ-LBPRGKRZSA-N 297.399 0.082 0 50 CCAA N=c1[nH]c(CCNC(=O)c2ccn3ncnc3c2)cs1 1857675316 SIXAOKZSDDFQRK-UHFFFAOYSA-N 288.336 0.571 0 50 CCAA CN(C[C@@H]1CCCC[C@@H]1O)C(=O)N[C@H]1CCOC1 253369621 FSYIJGMPCYWSBF-SRVKXCTJSA-N 256.346 0.968 0 50 CCAA O=C(NCc1ccccc1Cn1cncn1)C1CCNCC1 261765369 ROSVKTPAYDULJM-UHFFFAOYSA-N 299.378 0.942 0 50 CCAA CN(C)C(=O)c1ccc(NCCCn2ccnn2)nc1 127401666 QKRWYZRYUZHSCR-UHFFFAOYSA-N 274.328 0.877 0 50 CCAA C[C@H](NC(=O)C(=O)c1cnn(C)c1)[C@@H](O)c1ccccc1 811540664 ZCXAGORVNAIJFR-GXFFZTMASA-N 287.319 0.841 0 50 CCAA CCc1nc[nH]c1C(=O)N1Cc2nc(C)nc(O)c2C1 823553331 MZOBPWOHKMKNHD-UHFFFAOYSA-N 273.296 0.932 0 50 CCAA Cc1noc(=O)n1Cc1nccn1CC(F)(F)F 1875391611 JERJAFCQBCSYPB-UHFFFAOYSA-N 262.191 0.952 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC1([C@@H]2CCCO2)CC1 1875369911 PSDWQEVXHNLRNV-NSHDSACASA-N 266.341 0.849 0 50 CCAA COc1cc(C)nc(N2N=C([C@@H](C)OC)CC2=O)n1 899351348 HKUIZFCZJVEAOE-MRVPVSSYSA-N 264.285 0.921 0 50 CCAA CCCc1nccn1Cc1cc(=O)n(C)c(=O)n1C 179171738 DGZGRURXZYHFKL-UHFFFAOYSA-N 262.313 0.281 0 50 CCAA Nc1ccc(C(=O)NCC2CCS(=O)(=O)CC2)cn1 299778245 OQDGRRGACPZPRV-UHFFFAOYSA-N 283.353 0.218 0 50 CCAA CNC(=O)C[C@@H](C)NC(=O)c1ccc2n[nH]cc2c1 519806303 BSIPVELAOUPPCS-MRVPVSSYSA-N 260.297 0.817 0 50 CCAA COC(=O)[C@H]1CN[C@H](C)CN1C(=O)OC(C)(C)C 209811261 JFCNGYNPDVUMGR-RKDXNWHRSA-N 258.318 0.757 0 50 CCAA Cn1cc([C@@H]2CCO[C@@H]2C(=O)Nc2cnn[nH]2)cn1 2325765489 VNVDBPIRKRIPPQ-WPRPVWTQSA-N 262.273 0.049 0 50 CCAA O=C(O)CNC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 2139626 NFIMAMRWMUEMAT-UWVGGRQHSA-N 291.307 0.062 0 50 CCAA CCOC(=O)[C@]1(c2csc(N)n2)COC(=O)C1 2477880 LYYVOYIVHCKYQX-JTQLQIEISA-N 256.283 0.473 0 50 CCAA Cc1csc(CN2CCO[C@@H](c3nnnn3C)C2)n1 2356165260 ACVPCBKTNDOQRT-SECBINFHSA-N 280.357 0.549 0 50 CCAA O=C(c1ccnnc1)N1CCc2nc(C3CC3)nn2CC1 2356168567 JDACPHVKKGKNLS-UHFFFAOYSA-N 284.323 0.644 0 50 CCAA CCNC(=S)N1CCN(C(=O)c2ccco2)CC1 8829372 WTHJFZZYJCGDDV-UHFFFAOYSA-N 267.354 0.932 0 50 CCAA C[C@H]1C[C@@H](C)CN(CC(=O)N2CCC(C(N)=O)CC2)C1 9698342 CTGWQLJDINTDGC-TXEJJXNPSA-N 281.400 0.688 0 50 CCAA CCN(CC)C(=O)CN1C(=O)[C@@H]2CCC(=O)C[C@H]2C1=O 100505542 HCVODTZKOAMLJM-GHMZBOCLSA-N 280.324 0.209 0 50 CCAA NC(=O)CCC(=O)N1CCC[C@@H](CN2CCCC2)C1 20201100 GFCHGSYUSGPHKS-LBPRGKRZSA-N 267.373 0.586 0 50 CCAA CO[C@H]1C[C@@H](CO)N(Cc2cccc(C(=O)N(C)C)c2)C1 330555657 VRANXMBDTGPYQS-GJZGRUSLSA-N 292.379 0.970 0 50 CCAA COc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCCCN1 154301494 SNHHAQBACLCKPW-QWHCGFSZSA-N 278.352 0.987 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)N(C)Cc1ccon1 216969772 QPFDSLHIGMOWJD-NSHDSACASA-N 285.369 0.891 0 50 CCAA C[C@H]1NC(=O)N(Cc2cccnc2-n2ccnc2)C1=O 360443141 BQPNNKQVPISNNT-SECBINFHSA-N 271.280 0.708 0 50 CCAA Cc1cc(CN2CCn3c(nn(CC(F)F)c3=O)C2)no1 373850333 LDKDNTZHZJFLCT-UHFFFAOYSA-N 299.281 0.622 0 50 CCAA O=C(C[C@@H]1CCNC1)NCCn1c(=O)[nH]c2ccccc21 130058200 FOLRPOKEUZWMSS-NSHDSACASA-N 288.351 0.445 0 50 CCAA CCCc1cc(C(=O)N(CCO)Cc2nccn2C)no1 82125510 RFOTZHJHKRFIFL-UHFFFAOYSA-N 292.339 0.995 0 50 CCAA CCc1nc(NC(=O)NCCn2ccc(C)n2)nn1C 48170808 MLYXQUNIOZDXMV-UHFFFAOYSA-N 277.332 0.704 0 50 CCAA Cc1cc(C)n2nc(CC(=O)NCc3cnn(C)c3)nc2n1 338158483 JVKXBVGOIOFBDY-UHFFFAOYSA-N 299.338 0.334 0 50 CCAA CCc1nc(C)c(CC(=O)N[C@H](C)C(=O)O)c(O)n1 426502872 ITQHCDINKJMTJY-SSDOTTSWSA-N 267.285 0.185 0 50 CCAA Cc1cccc(=O)n1CCC(=O)N[C@H](CC(C)C)C(N)=O 97436993 PIZCTDAPZCUCDC-GFCCVEGCSA-N 293.367 0.563 0 50 CCAA O=C(NCC[C@@]1(O)CCCOC1)c1ncccc1F 616563501 TXEICTGRVQXHRB-ZDUSSCGKSA-N 268.288 0.882 0 50 CCAA NC(=O)CN1CCC(c2nc(-c3ccncc3)no2)CC1 96130655 CFOFMFOXSBSBER-UHFFFAOYSA-N 287.323 0.796 0 50 CCAA Cc1c(S(=O)(=O)N2CCCO[C@H](C)C2)cnn1C 293492714 RGVKIJKSUPQUTI-SECBINFHSA-N 273.358 0.528 0 50 CCAA COc1cccn(CC(=O)N2CCC[C@H](N)CC2)c1=O 95530392 RNVNTTLLCWGCJE-NSHDSACASA-N 279.340 0.197 0 50 CCAA Cc1cnc(C)c(N2CCN(C(=O)c3cnc[nH]3)CC2)n1 244742142 OCMNAMSCKGEASN-UHFFFAOYSA-N 286.339 0.779 0 50 CCAA CC(=O)c1c(C)nn(CC(=O)NCCc2ncc[nH]2)c1C 534649855 PXWJYHFBGPZZLE-UHFFFAOYSA-N 289.339 0.785 0 50 CCAA Cc1n[nH]c(C)c1CN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299797872 ORPWQEQTMOTHKV-KBPBESRZSA-N 288.355 0.964 0 50 CCAA Cc1n[nH]c(C)c1CCN(C)[C@H](C)C(=O)N(C)C 299775530 JXWVUDZXMNKCJU-LLVKDONJSA-N 252.362 0.978 0 50 CCAA CC(=O)N[C@H]1CCN(CCC(=O)NCc2cccs2)C1 299766397 IXIWIDJZWZLXFG-LBPRGKRZSA-N 295.408 0.965 0 50 CCAA Cc1ccnn1CCN1CCC(N2CCOCC2)CC1 299781754 UTWYPKLDFFCSMR-UHFFFAOYSA-N 278.400 0.988 0 50 CCAA COCCN1CC[C@H](CN(C)C(=O)CN2CCCC2)C1 584899999 ZOHQNHQJDYPSJK-CQSZACIVSA-N 283.416 0.509 0 50 CCAA CCCOC[C@H]1CCN(C(=O)CN2CCCN(C)CC2)C1 584886882 QKWCBHCJHQSQKC-HNNXBMFYSA-N 297.443 0.899 0 50 CCAA C[C@@H]1O[C@H](Nc2ccc(Cl)cc2)[C@H](O)[C@H](O)[C@@H]1O 584904328 QENQZHRGYAQHKK-XQFKGYICSA-N 273.716 0.579 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cncc(F)c1 584903834 FVOGMOZMVQXJKB-RYUDHWBXSA-N 267.304 0.670 0 50 CCAA Cn1cnnc1CCC(=O)NC[C@]1(C)CCCO1 670461657 ORMVIUGVBKITSS-LBPRGKRZSA-N 252.318 0.433 0 50 CCAA NC(=O)C1CN(C(=O)Cc2cccnc2Cl)C1 1347405912 BITSGXWBFQPRTK-UHFFFAOYSA-N 253.689 0.221 0 50 CCAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cc[nH]n1 888089564 NTQAKXPVHIYEIX-SNVBAGLBSA-N 299.290 0.489 0 50 CCAA CC[C@H](N)C(=O)N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 166610376 YXIFGJXAZBAKSK-ZNMIVQPWSA-N 296.459 0.741 0 50 CCAA CC(C)N(C)CC(=O)N1CCN(C)[C@H](c2nccn2C)C1 276789836 VJJVTRDFVYJVCO-ZDUSSCGKSA-N 293.415 0.575 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)NCc1nccc(N)n1 277419889 UWBWATHHLQPUBF-NXEZZACHSA-N 264.329 0.880 0 50 CCAA Cc1cc(C(=O)NS(C)(=O)=O)nn1[C@@H](C)C1CC1 408335447 VCBDHKDRFZVEDI-QMMMGPOBSA-N 271.342 0.852 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)Cc1ccc(O)nc1 408522676 LLFGGAKNZXLSTK-LBPRGKRZSA-N 291.351 0.703 0 50 CCAA Cc1ncn(CC(=O)Nc2nccs2)c(=O)c1C 188212057 FKVWNOPCLUFRMH-UHFFFAOYSA-N 264.310 0.955 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cc(C)no1 643827988 QGHYOAOVWOEAHU-CYBMUJFWSA-N 267.329 0.710 0 50 CCAA Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)C2)c(C)o1 193348495 RWTFLXDQTMHSTA-VIFPVBQESA-N 273.310 0.992 0 50 CCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)c1cccc2c1OCO2 659170352 UGCCXBQITFFCCX-GZMMTYOYSA-N 279.248 0.387 0 50 CCAA COCCN1CC[C@H](CN(C)C(=O)C(C)(C)N)C1 1506430137 WWWGTOPTNVESNY-LLVKDONJSA-N 257.378 0.150 0 50 CCAA CN(C)CC1(O)CCN(C(=O)c2cc(O)ccc2N)CC1 1506424059 YXUJWPDCGPVDKC-UHFFFAOYSA-N 293.367 0.503 0 50 CCAA CCS(=O)(=O)N1CCC[C@H](n2ccnn2)CC1 907353712 PSLFITZIXWELGO-JTQLQIEISA-N 258.347 0.655 0 50 CCAA NC(=O)CN1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529195949 SDPXGYUFRJPRAR-IUODEOHRSA-N 285.347 0.555 0 50 CCAA O[C@@H]1CN(CCCn2cccn2)C[C@H]1Cc1cnccn1 1529152246 QVYMISQQSZELLR-UKRRQHHQSA-N 287.367 0.599 0 50 CCAA Cc1cccc(F)c1S(=O)(=O)NCc1nnn(C)n1 331125087 QWPGPUXVBIMCLB-UHFFFAOYSA-N 285.304 0.136 0 50 CCAA Sc1nnc(-c2ccncc2)n1CCN1CCOCC1 5778243 WXOZCQBYFQWPCD-UHFFFAOYSA-N 291.380 0.961 0 50 CCAA CCc1nc(N)nc(N2CCN3C(=O)OC[C@H]3C2)c1C 1772700981 HXYUWSINNAEQKH-SECBINFHSA-N 277.328 0.570 0 50 CCAA Cn1nccc1[C@@H]1[C@@H](C(=O)O)CCC(=O)N1C1CC1 159895704 NPNXGLHTMSDKNU-CABZTGNLSA-N 263.297 0.947 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)Cc2nonc2C)C[C@@H]1O 1875245711 NFAXPGINTRASID-GXTWGEPZSA-N 297.355 0.293 0 50 CCAA CC(C)(C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccccc1 1875244406 IUXVRSXPDZEAKF-AAVRWANBSA-N 291.347 0.608 0 50 CCAA Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H](C)N)on1 515352308 WAXDVWIYOOGYBL-DCAQKATOSA-N 284.335 0.359 0 50 CCAA C[C@H]1CN(C(=O)C2(C(=O)O)CC=CC2)CCN1C[C@@H](C)O 663108958 AVSDGJYBNQTZGW-NWDGAFQWSA-N 296.367 0.321 0 50 CCAA O=C(NC[C@@H](CCO)c1ccccc1)[C@H]1CCNC1 262625123 IOWCSIGSNKHUGH-KGLIPLIRSA-N 262.353 0.878 0 50 CCAA O=C(O)c1cccc(NC[C@H](CO)[C@H]2CCOC2)n1 263383135 DAXWRRBDOLOGCP-VHSXEESVSA-N 266.297 0.837 0 50 CCAA Cc1nonc1CNC(=O)N1CCOC[C@H]1[C@@H]1CCCO1 873282091 BNZXBPVIFUMDQM-RYUDHWBXSA-N 296.327 0.467 0 50 CCAA CO[C@H](CN)C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 952894111 MAVMLXFGNPXIEB-LLVKDONJSA-N 266.345 0.294 0 50 CCAA C[C@H](c1ncccn1)N1CCN(CCS(C)(=O)=O)CC1 1875271351 TYBSFVQEKUEYGZ-GFCCVEGCSA-N 298.412 0.200 0 50 CCAA Cn1cncc1[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C(=O)O 1875310769 BXHLLADLHPQIDU-NXEZZACHSA-N 288.307 0.689 0 50 CCAA NS(=O)(=O)C1(CNc2ncc3c(n2)CCCC3)CCC1 895606859 QYGCZYATAKBSMM-UHFFFAOYSA-N 296.396 0.979 0 50 CCAA CCN(CC)c1ccc(C(=O)NC[C@H](O)[C@H](C)O)cn1 1776000590 ZDWYFEAVLNMCEH-JQWIXIFHSA-N 281.356 0.399 0 50 CCAA CN1C[C@@H](NC(=O)c2[nH]nc3c2CCCC3)CC1=O 20452992 DULOXOREOJEIFR-QMMMGPOBSA-N 262.313 0.249 0 50 CCAA CN1C[C@H](C(=O)NCc2ccc3nc[nH]c3c2)CC1=O 426438828 IXWZUYPTMCOLBN-SNVBAGLBSA-N 272.308 0.657 0 50 CCAA COC[C@H]1COCCN1C(=O)c1cnc2ccnn2c1C 2325791579 RGZYTARZBXHBCS-NSHDSACASA-N 290.323 0.525 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)[C@@H]1CCSC1 923194130 LCGJUZZKYLVWAQ-SPFKKGSWSA-N 255.339 0.965 0 50 CCAA COC1(CN(C)C)CCN(c2nc(C(=O)O)nn2C)CC1 2356134262 GQKLNGKUIHMFCN-UHFFFAOYSA-N 297.359 0.060 0 50 CCAA O=[S@@](C[C@H](O)COc1ccccc1)c1ncn[nH]1 4947607 SKIPBNCUOWMZAC-DYBLOJMWSA-N 267.310 0.352 0 50 CCAA C[C@H]1COCCN1C(=O)c1nnc2ccccc2n1 280736153 IZUQMLDWNNYLAM-VIFPVBQESA-N 258.281 0.886 0 50 CCAA NCCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100662907 COOLVEBELLKVCB-UHFFFAOYSA-N 287.319 0.342 0 50 CCAA biogenic C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)CN1CCCC1 225392630 HABWSRIJJNSEDF-NWDGAFQWSA-N 267.373 0.455 0 50 CCAA Cc1cccc(NC(=O)CN2CC[C@@H](CO)[C@@H](O)C2)c1 225666642 ABJOZQJWBNOZOH-JSGCOSHPSA-N 278.352 0.609 0 50 CCAA COc1ccc(CN2CCN(C)[C@H](CCO)C2)cc1O 104446457 XHPQTUPUOZMRAB-CYBMUJFWSA-N 280.368 0.899 0 50 CCAA CC(=O)Nc1c(O)cc(N2CCOCC2)c2nonc12 105812104 GYVLKXAGKJVDEX-UHFFFAOYSA-N 278.268 0.723 0 50 CCAA O=C1NC(=O)[C@](Cc2ccccc2F)(C2CCNCC2)N1 67790370 CIWZEYTXDWJMMU-HNNXBMFYSA-N 291.326 0.946 0 50 CCAA O=C1NCCN(C(=O)CCC2CCCC2)[C@H]1CCO 67673917 VNTUYQXYHOBCPK-LBPRGKRZSA-N 268.357 0.666 0 50 CCAA CCOC(=O)N1CCC(NN2CCOCC2)CC1 23282720 BWSCKMQNFWPWCK-UHFFFAOYSA-N 257.334 0.444 0 50 CCAA NC(=O)C1(CNC(=O)c2c(O)cccc2F)CCOCC1 120032360 VRKSZIONIDDOID-UHFFFAOYSA-N 296.298 0.543 0 50 CCAA CCOc1ccc(CN2CCNC(=O)CC2)cc1CO 215219205 YUBXEFOFEVMTRR-UHFFFAOYSA-N 278.352 0.900 0 50 CCAA CN(C[C@H]1CCn2ccnc2C1)C(=O)[C@@H]1CCOC1 328637523 WACUBSZIOOJBRV-NWDGAFQWSA-N 263.341 0.940 0 50 CCAA Cc1cc(CN2C(=O)NC3(CCNCC3)C2=O)on1 77378577 RQWBFFBTXMJXRO-UHFFFAOYSA-N 264.285 0.157 0 50 CCAA Cc1nn(C)c(C)c1CN(C)c1nc(N)nc2[nH]cnc12 32551013 ARJKGAZJDIPJOH-UHFFFAOYSA-N 286.343 0.922 0 50 CCAA CO[C@H]1C[C@@H](CO)N(CC(=O)Nc2ccc(Cl)cn2)C1 330554869 VJSZNYRAIKRCCL-QWRGUYRKSA-N 299.758 0.755 0 50 CCAA O[C@@]1(Cn2ccnn2)CCCN(Cc2ccncc2)C1 285400523 GATVXLUESSLTHO-AWEZNQCLSA-N 273.340 0.700 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(C)n[nH]c1C 368502152 FFALGXSZISJWKW-UWVGGRQHSA-N 290.364 0.347 0 50 CCAA C[C@H](NS(C)(=O)=O)C(=O)NCCCc1ccncc1 219091585 ZYIUIFSITKYIAQ-JTQLQIEISA-N 285.369 0.068 0 50 CCAA CN(C)[C@@H](CNC(=O)c1ccc2nc(O)[nH]c2n1)C1CC1 448747337 JNALFKXBHVOVSL-NSHDSACASA-N 289.339 0.734 0 50 CCAA CC1CCN(C(=O)CS(=O)(=O)[C@H](C)[C@@H](C)O)CC1 172888500 NNNXORXFSJGJJW-GHMZBOCLSA-N 277.386 0.429 0 50 CCAA Cc1nc(S(=O)(=O)N2CC(c3ccccn3)C2)cn1C 72122457 SJNVKEWVCXDMPY-UHFFFAOYSA-N 292.364 0.912 0 50 CCAA NC(=O)[C@]1(O)CCCN(C(=O)c2ccc3ncccc3c2)C1 285434758 IODMJOMLBJMMII-INIZCTEOSA-N 299.330 0.687 0 50 CCAA CNC[C@H](C)C(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 263270206 OTRRVZXZVUYNBP-ZQDZILKHSA-N 297.443 0.942 0 50 CCAA CCO[C@H]1CN(C(=O)Cn2cnc3ccccc32)C[C@@H]1O 222875873 ATERADPEZSDCGJ-KBPBESRZSA-N 289.335 0.645 0 50 CCAA O=C(Cn1nccc1[C@@H]1CCCNC1)NC1CCOCC1 426386895 MBAONCJQUWFZOO-GFCCVEGCSA-N 292.383 0.645 0 50 CCAA Cc1nnsc1CNC(=O)CN1CCCN(C)CC1 220690020 ORVUITKDASMUQH-UHFFFAOYSA-N 283.401 0.100 0 50 CCAA O=C(O)C1(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 192984156 CEBQDVHTXMPGSB-ZJUUUORDSA-N 253.298 0.925 0 50 CCAA Cc1nc(C)n(CCCNC(=O)[C@H](C)N(C)C)n1 426491134 XCVCDANTVVGURB-VIFPVBQESA-N 253.350 0.351 0 50 CCAA Cc1cc2nc(CCC(=O)NCc3nn[nH]n3)[nH]c2cc1C 426477278 VBFYOYPODSCLPP-UHFFFAOYSA-N 299.338 0.942 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NC[C@H]1CCCO1 239174612 QHISLNKQAONDBW-PREPNJAASA-N 265.309 0.805 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)c2ccn(C)n2)C1 91713518 AHKZSABSBOGGHV-AWEZNQCLSA-N 281.356 0.671 0 50 CCAA CCNC(=O)[C@H]1CCN(Cc2cnn(CCC(=O)O)c2)C1 97772727 SXZFROIKVCRNIN-LBPRGKRZSA-N 294.355 0.316 0 50 CCAA Cc1ccc(CNC(=O)c2ccc3nnnn3c2)o1 97819633 KBQNJFGKOPAGAG-UHFFFAOYSA-N 257.253 0.956 0 50 CCAA O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCS(=O)(=O)CC1 246219594 QKMHADAYTXQFCO-GARJFASQSA-N 257.355 0.680 0 50 CCAA C[C@H]1C[C@H](c2cccnc2)N(c2nc(=N)[nH]c(=N)[nH]2)C1 624100498 VPDJHPXOSSSLOB-WCBMZHEXSA-N 271.328 0.679 0 50 CCAA O=C(CO)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252537285 KWVLQPCKVSOQBC-TYNCELHUSA-N 277.320 0.542 0 50 CCAA COC1(CCN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)CCC1 625629227 VCUFHNSWLCYTEC-ZIAGYGMSSA-N 295.383 0.803 0 50 CCAA N[C@@H]1CCN(S(=O)(=O)CCOc2ccccc2)C1 534639254 WXQWVOGJHSANME-LLVKDONJSA-N 270.354 0.428 0 50 CCAA C[C@@H](NC(=O)C(=O)N1CCCCC1)c1nncn1C 822281070 ZSXPLJLZWQAJAS-SECBINFHSA-N 265.317 0.005 0 50 CCAA C[C@@H](CNS(=O)(=O)C1CC1)NCC1(CO)CCCC1 828686794 WSYWVALRKXLZJX-NSHDSACASA-N 290.429 0.599 0 50 CCAA O=c1[nH]c2cc3c(cc2n(C2CC2)c1=O)OCCO3 669368973 UFEGKAOSUJXABW-UHFFFAOYSA-N 260.249 0.796 0 50 CCAA COc1ncc(CN2CCC[C@H](CS(C)(=O)=O)C2)cn1 824851788 HHZIMACYOOAAIF-NSHDSACASA-N 299.396 0.742 0 50 CCAA CN(CCCN1CCOCC1)C(=O)C1(C)COC1 584899940 FHUPLRMWILIPBC-UHFFFAOYSA-N 256.346 0.204 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)NCc1ccc(C(F)(F)F)o1 1875401154 GZDRBPJUSZDSOA-VXNVDRBHSA-N 292.257 0.885 0 50 CCAA O=C(CNc1ccc(F)cc1)N1CC[C@H](CO)[C@H](O)C1 1529186871 LRCKELCIVUISSM-ZWNOBZJWSA-N 282.315 0.439 0 50 CCAA COC[C@H](O)CN1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 245343874 WFRGQZLJJAJBRL-YIYPIFLZSA-N 254.374 0.410 0 50 CCAA CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1cn[nH]c1 270173629 FIYDZPULAYAABX-WPRPVWTQSA-N 282.369 0.898 0 50 CCAA CC1(C)C(C)(C)C1(C(=O)O)C(=O)N[C@H]1CCNC(=O)CC1 1589204447 BWIPDZUSIMGBHZ-SECBINFHSA-N 296.367 0.908 0 50 CCAA Cc1noc(C)c1CN1CCOC[C@@H]1CC(=O)O 97776013 KBHAGJYVQYTDSS-JTQLQIEISA-N 254.286 0.967 0 50 CCAA CCc1ncc(C(=O)N2CC(C(=O)NC)C2)s1 170597375 KYTWQFMXMRCQKN-UHFFFAOYSA-N 253.327 0.524 0 50 CCAA COC(=O)[C@@](C)(O)CNC(=O)c1cc(C)c(OC)c(C)c1 408514169 XXFWTPADTBOLRK-HNNXBMFYSA-N 295.335 0.966 0 50 CCAA C[C@H](NC(=O)NC[C@@H]1CCCO1)C(=O)NC[C@@H]1CCCO1 1615046195 CMEPZZRDJMSQHO-SRVKXCTJSA-N 299.371 0.148 0 50 CCAA COC(=O)c1cc(NS(=O)(=O)CCCCF)n(C)n1 1616034749 NDVAZZXONRSGKI-UHFFFAOYSA-N 293.320 0.698 0 50 CCAA CN(C)c1nccnc1NCCN1CCCC[C@H]1CO 1529191885 HYHNGKLVDDISLJ-LBPRGKRZSA-N 279.388 0.801 0 50 CCAA Cc1cnc(CN2CCO[C@H]3C[C@H](CO)C[C@@H]32)[nH]1 1857710030 DUPNRTBLMDJJBW-WOPDTQHZSA-N 251.330 0.690 0 50 CCAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N[C@]1(C)CCS(=O)(=O)C1 407961334 DHYHBOFPGMQRMC-BTQIBKBOSA-N 275.370 0.493 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC[C@@H]1C 647293571 PNISRZMRTLFYSY-DCAQKATOSA-N 279.381 0.347 0 50 CCAA CC(C)[C@@]1(CO)CCCN(Cc2nnnn2C)C1 339699372 COUZIHOVUNFZBL-LBPRGKRZSA-N 253.350 0.441 0 50 CCAA C=CC(=O)N1CCC[C@](O)(C2(C(=O)O)CCC2)C1 1875369925 QUGFVWYQFDPTQQ-CYBMUJFWSA-N 253.298 0.781 0 50 CCAA CN(C)c1ncccc1NC(=O)CN1CCOCC1 134995104 KANYBHONHFMQRJ-UHFFFAOYSA-N 264.329 0.418 0 50 CCAA CN(CCCN1CCOCC1)CC[C@@H]1COCCO1 1775984222 KKRPBRDDGIKBDM-CQSZACIVSA-N 272.389 0.446 0 50 CCAA O=C(c1ccc2nc[nH]c2c1)N1C[C@H]2[C@H](C1)C2(CO)CO 1772710868 WZROLYMKWDEXGV-QWRGUYRKSA-N 287.319 0.236 0 50 CCAA COCCn1ccc2c(cnc3nc(SC)nn32)c1=O 12409652 FUHSSEIWXMMCNC-UHFFFAOYSA-N 291.336 0.808 0 50 CCAA COc1cnc(C)cc1C(=O)N1CC2(CNC(=O)N2C)C1 1857677993 HWQGXIJYPLGYDJ-UHFFFAOYSA-N 290.323 0.248 0 50 CCAA Cc1cc(C)c(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c(C)c1 1875244692 ZPUHJTGLEZCFHD-QHSBEEBCSA-N 291.347 0.869 0 50 CCAA CN(C)C(=O)c1n[nH]c(-c2ccc3c(c2)CN(C)C3=O)n1 1875246980 IJVMOSKAVWJDGE-UHFFFAOYSA-N 285.307 0.759 0 50 CCAA C[C@H]1[C@H](CO)CCCN1c1cc(N2CCOCC2)ncn1 665753603 PQHRMRRJTLWGDS-STQMWFEESA-N 292.383 0.910 0 50 CCAA CCOC(OCC)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C 12999424 NAJJNAWUYHRZEE-UHFFFAOYSA-N 282.300 0.032 0 50 CCAA O=C1CC[C@@H](C(=O)NO[C@H]2CCOC2)n2cccc21 1875261354 UJQZIDMKTZYNDC-ONGXEEELSA-N 264.281 0.842 0 50 CCAA Cc1noc2ncnc(N3CCCn4[nH]c(=N)cc4C3)c12 1875286701 BJOURMZSGZRWEW-UHFFFAOYSA-N 285.311 0.946 0 50 CCAA C[C@@H](O)[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)C(=O)O 1875291914 PVFXFLBXPWRXCL-BFVZDQMLSA-N 293.319 0.893 0 50 CCAA CN1CCC[C@@H](CNC(=O)Cn2nnc(C(C)(C)C)n2)C1 1875280569 XMJJQMLEKJNLEX-NSHDSACASA-N 294.403 0.429 0 50 CCAA NO[C@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1CN2 1875287728 XNURLFWYFSIYON-RWMBFGLXSA-N 261.325 0.061 0 50 CCAA CN(C)S(=O)(=O)CCn1cc(-c2cncs2)nn1 1875281910 DYZFCSXYXMVVCH-UHFFFAOYSA-N 287.370 0.293 0 50 CCAA Cc1cccc(C(=O)N[C@@H](C(=O)O)c2nn[nH]n2)c1 1875354365 FQLXOMMHRXJEBC-MRVPVSSYSA-N 261.241 0.064 0 50 CCAA CCN(CC(=O)NC)C(=O)c1ccc2cncn2c1C 1771649010 ULMAZAZRJOGNBG-UHFFFAOYSA-N 274.324 0.851 0 50 CCAA C[C@H](O)CN1CCN(CCC(=O)NC(C)(C)C)C[C@H]1C 252505711 MEOZEFQDBVZOIU-OLZOCXBDSA-N 285.432 0.678 0 50 CCAA COC[C@H](C)S(=O)(=O)NC1CCC(C(=O)O)CC1 262467651 TYFQLEQADILCIQ-IDKOKCKLSA-N 279.358 0.584 0 50 CCAA COC[C@@]1(C(=O)O)CCN(c2ccnc(N(C)C)n2)C1 312517792 CCRNXOSTYCCLSL-CYBMUJFWSA-N 280.328 0.470 0 50 CCAA OC[C@H]1COCCN(c2nnnn2-c2ccccc2)C1 77504631 YRZVYHDZBFHXOU-NSHDSACASA-N 275.312 0.107 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)NC1(C(=O)O)CCC1 426739109 VOGYOIWEQQMNOJ-QMMMGPOBSA-N 251.286 0.876 0 50 CCAA Cc1cc(N2CC[C@](F)(CO)C2)n2ncnc2n1 338420515 HXVUUKXUADICOT-LLVKDONJSA-N 251.265 0.343 0 50 CCAA CN(C)C1(CNC(=O)c2ncc[nH]c2=O)CCCCC1 823653533 NIJWMAGLBULHHX-UHFFFAOYSA-N 278.356 0.764 0 50 CCAA O=C(NC[C@@H](O)c1ccccc1F)c1cc(CO)[nH]n1 2325864898 DLXSGWSJUWEKHI-GFCCVEGCSA-N 279.271 0.505 0 50 CCAA Cc1ccc(-c2nnc(SCC(N)=O)n2N)cc1 382555 ONOGABKUTGXOLH-UHFFFAOYSA-N 263.326 0.545 0 50 CCAA Cn1cnc2nc(=NCc3cn4ccncc4n3)[nH]cc21 2356158300 XTERZKQHGJQKBH-UHFFFAOYSA-N 280.295 0.440 0 50 CCAA O=C1CN(C(=O)c2n[nH]c3c2CCC3)[C@H]2CCCC[C@@H]2N1 225470234 PQIAWKXPZONMMO-RYUDHWBXSA-N 288.351 0.782 0 50 CCAA C[C@@H](NCCN1C(=O)CNC1=O)c1ccccc1N(C)C 134095155 GTPQHPWQNOIFEZ-LLVKDONJSA-N 290.367 0.955 0 50 CCAA C[C@H](CN)NC(=O)N1CC[C@@H](Oc2ccncc2)C1 418524595 NEOJDNUIEIBFPL-ZYHUDNBSSA-N 264.329 0.592 0 50 CCAA O=c1[nH]nc(Cn2cccn2)n1Cc1ccccc1 65405976 MLHLQDYMVRTXAF-UHFFFAOYSA-N 255.281 0.865 0 50 CCAA CCC[C@](C)(CO)NC(=O)N[C@H]1CCN(C(C)=O)C1 120908253 FRYKYNRHLUERSZ-WCQYABFASA-N 271.361 0.458 0 50 CCAA O=C([C@H]1CC12CCCC2)N1CCS(=O)(=O)CC1 329970135 UTTLVARYHVNFCM-SNVBAGLBSA-N 257.355 0.824 0 50 CCAA C[C@H](N)[C@H]1CN(C(=O)CCC(F)(F)F)CCO1 122902587 DFQZXDHFNVZNGV-JGVFFNPUSA-N 254.252 0.904 0 50 CCAA Cn1ccnc1-c1nnc(NC(=O)[C@H]2CCOC2)s1 366837339 ICKKZSNFUCVQLQ-ZETCQYMHSA-N 279.325 0.914 0 50 CCAA O=C(COC[C@H]1CCCCO1)NCCn1ccnc1 215245917 WRACNPTYWVISNI-GFCCVEGCSA-N 267.329 0.585 0 50 CCAA CCS(=O)(=O)C1CN(C(=O)c2ccn(C(C)C)n2)C1 331523280 MJJBWLANJVWXOI-UHFFFAOYSA-N 285.369 0.723 0 50 CCAA CC1CCC(O)(CN2CC[C@]3(C2)NC(=O)N(C)C3=O)CC1 369689369 XJWRIXBOSGLGBG-WDIPEOLASA-N 295.383 0.554 0 50 CCAA O=C(NCCNC[C@@]1(O)CCCNC1)c1ccc(F)cc1 72418296 OFTBGVCLEPYVJA-OAHLLOKOSA-N 295.358 0.260 0 50 CCAA O=C(NCc1cnc2cnccn12)c1cnccn1 216074333 YOOUYWFIYCFOFK-UHFFFAOYSA-N 254.253 0.449 0 50 CCAA CCC(=O)N1CCN(C(=O)c2ccncc2F)C1 333284038 MXYLDFCLSIBXOE-UHFFFAOYSA-N 251.261 0.873 0 50 CCAA Cc1noc(C)c1C(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 218967262 RTNOOSWCJKJPAU-STQMWFEESA-N 293.367 0.963 0 50 CCAA CCn1cnnc1NC(=O)C1CCN(C(=O)N(C)C)CC1 285582939 AVKNKDNGXZDPAB-UHFFFAOYSA-N 294.359 0.630 0 50 CCAA CO[C@]1(CN2CCN(C)[C@@H](c3nc(C)no3)C2)CCOC1 606444046 AFHJZIOIGXLWNG-OCCSQVGLSA-N 296.371 0.472 0 50 CCAA C[C@@H]1C[C@@H](NC(=O)c2csnn2)CN1C1CC1 177037410 COEPEMVOHRSGNS-HTQZYQBOSA-N 252.343 0.893 0 50 CCAA O=C(C[C@@H]1CCCOC1)N1CCN(c2cnccn2)CC1 192601835 YIAKMKRTLLSEAE-ZDUSSCGKSA-N 290.367 0.942 0 50 CCAA C[C@@H](C(=O)NCc1nc(-c2ncccn2)no1)N(C)C 426510175 RRIDCSDUSUHVRL-QMMMGPOBSA-N 276.300 0.093 0 50 CCAA CN(CC(=O)N[C@H]1C[C@@H]2OCC[C@H]12)Cc1cccnc1 223046474 WVZLEYCUCJCUDC-RDBSUJKOSA-N 275.352 0.807 0 50 CCAA N[C@@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1O 82138697 CPZATEDQCCKYGK-TZMCWYRMSA-N 285.351 0.433 0 50 CCAA COc1coc(CSc2nnc(CCN)n2C)cc1=O 426597412 NIJIHKGGGMGOEP-UHFFFAOYSA-N 296.352 0.570 0 50 CCAA COc1cccc(SCC(=O)N[C@@H]2CCNC[C@H]2O)c1 426422026 SGEKUCBIBFZVBJ-CHWSQXEVSA-N 296.392 0.626 0 50 CCAA CCC1(C(=O)O)CCN(C(=O)CN2CCC[C@H](O)C2)CC1 426575024 OGEBOTAEMNAVND-LBPRGKRZSA-N 298.383 0.547 0 50 CCAA Cc1nc(NCCN2CCCOC2=O)c2cnn(C)c2n1 95352538 JSOIXOPBBUEWAV-UHFFFAOYSA-N 290.327 0.926 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2CNCCO2)C[C@@H](c2ccccc2)O1 237608311 QXROZWMRPKIGET-SNPRPXQTSA-N 290.363 0.963 0 50 CCAA Cc1nc(CCC(=O)N2CCCCCC2)n(CCO)n1 96131208 NOODLWOYTYGARW-UHFFFAOYSA-N 280.372 0.914 0 50 CCAA COCCN1CC[C@@H](C(=O)NCCc2c(C)n[nH]c2C)C1 244874802 XHOPEROGSJBYAY-CYBMUJFWSA-N 294.399 0.654 0 50 CCAA CC(=O)N(C)c1cccc(S(=O)(=O)N(C)C)c1 257173350 KWEHWVPLJXIXAT-UHFFFAOYSA-N 256.327 0.920 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccnc2ccnn12 626898399 QEVUXYCOBCKVDO-RKDXNWHRSA-N 273.296 0.126 0 50 CCAA CN(CCN1CCCC1)S(=O)(=O)N1CCCC1 355406428 HFZFTJGYYZNQHQ-UHFFFAOYSA-N 261.391 0.355 0 50 CCAA Cc1ccc(OCCS(=O)(=O)N2CCN[C@H](C)C2)cc1 534669266 HATJZBVZRJOQID-CYBMUJFWSA-N 298.408 0.997 0 50 CCAA CN(Cc1cscn1)C(=O)NCCn1cncn1 827887583 NESILCQWPKVGAK-UHFFFAOYSA-N 266.330 0.576 0 50 CCAA CC(=O)c1ccc(C(=O)N[C@H]2CNCC[C@H]2O)s1 820604418 LVSGKVMRNSPQNE-DTWKUNHWSA-N 268.338 0.403 0 50 CCAA CNCCN1C(=O)CC[C@@H]2CN(Cc3cnc[nH]3)CC[C@@H]21 1565509633 RTETVLMEJXDYJG-OCCSQVGLSA-N 291.399 0.442 0 50 CCAA NS(=O)(=O)c1ccc(Br)nc1F 958531969 VWHMNNSLLSQKNX-UHFFFAOYSA-N 255.068 0.631 0 50 CCAA C[C@](O)(CN1CCC(S(N)(=O)=O)CC1)C(F)(F)F 407960175 XAJXRSXBPBMLSB-QMMMGPOBSA-N 290.307 0.053 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)CC1 408010590 PJQFSMHZTZQBDQ-JGVFFNPUSA-N 294.273 0.427 0 50 CCAA C[C@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@@H](C)N1C 408169691 SXAVLJSFOLXVPL-PHIMTYICSA-N 277.372 0.707 0 50 CCAA C[C@@H](OCC(F)(F)F)C(=O)N1CCO[C@@H](C(=O)O)C1 408513455 NGFBCUBLQXKZPU-RNFRBKRXSA-N 285.218 0.266 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2conc2C)C1 643757523 ODYHZZYNXAYHCR-ZDUSSCGKSA-N 267.329 0.446 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(Cc2ccc3c(c2)CCO3)C1 643745825 VPLANISXLDLKHO-INIZCTEOSA-N 290.363 0.824 0 50 CCAA O=C(O)c1cn([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)nn1 565032316 XQSCZUFLJIPKOS-ONGXEEELSA-N 294.311 0.319 0 50 CCAA Cc1ncc(CNC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)c(=N)[nH]1 571842182 QALDBCNAQMGDPL-JTNHKYCSSA-N 276.340 0.771 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC(CC(=O)NC)CC1 900916544 CLEKUGASXSYXNV-UHFFFAOYSA-N 295.383 0.396 0 50 CCAA C[C@@H](NS(=O)(=O)N1CCCCC1)c1cnccn1 585086768 LRNKTTAOBQILSW-SNVBAGLBSA-N 270.358 0.858 0 50 CCAA C/C=C/[C@@H](O)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 585121082 FKWZMCIOUOKECK-YLGNMVSYSA-N 280.368 0.688 0 50 CCAA OCc1ccnc(N2CCN(C[C@H]3CCCO3)CC2)n1 681006413 ASGXMMIZWONWAP-CYBMUJFWSA-N 278.356 0.270 0 50 CCAA CCn1cc(CNC(=O)[C@@]23CCCC[C@@H]2NCC3)nn1 1615553343 JNZFEYUZUQKCCX-GXTWGEPZSA-N 277.372 0.837 0 50 CCAA CCn1cc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cn1 1529120140 VAYVSUKTWSHSMC-UKRRQHHQSA-N 289.383 0.970 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)c1nsnc1C 1857688550 PAKIMBQZGQODIK-YUMQZZPRSA-N 257.315 0.380 0 50 CCAA C[C@@H]1CN2C[C@@H](NC(=O)[C@H]3CCCO3)C[C@H]2CO1 1857725207 MVSIIVWQWWBXJG-NOOOWODRSA-N 254.330 0.143 0 50 CCAA C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H](N)CC(C)(C)C 1875291370 WSUXOHIDPRWEPL-ZJUUUORDSA-N 278.418 0.689 0 50 CCAA CC(C)OC[C@H]1CN(S(=O)(=O)c2cnc[nH]2)CCO1 372220675 DRJVRRJJRFQLDR-SNVBAGLBSA-N 289.357 0.224 0 50 CCAA CCCN1CCC[C@@H]1C(=O)N1CC[C@@H](CNC)C1 262568982 AXYTUHCTDNZWJR-QWHCGFSZSA-N 253.390 0.929 0 50 CCAA C[C@@H](Nc1nccn2cnnc12)C(=O)NC(C)(C)C 134798145 AHRFQPRJEAEQRD-MRVPVSSYSA-N 262.317 0.839 0 50 CCAA NC(=O)C1CCN(CC(=O)Nc2ccccc2F)CC1 7435749 NPYDYHPCBHYISK-UHFFFAOYSA-N 279.315 0.962 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N2CCC[C@H]3CNC[C@H]32)c1 331391307 QGYVRILGWHTKJS-NWDGAFQWSA-N 298.412 0.837 0 50 CCAA CCCCNC(=O)[C@H](C)N1CCO[C@H](Cn2ccnn2)C1 585116237 MXRKVFIUTVXGFQ-STQMWFEESA-N 295.387 0.284 0 50 CCAA Cc1nc(S(=O)(=O)N2CC[C@H](OCC3CC3)C2)cn1C 390830947 OMKHFEFIVLJDKF-LBPRGKRZSA-N 299.396 0.918 0 50 CCAA CC(C)(C)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 16322847 MDOYIBRBFYLVBA-SECBINFHSA-N 262.375 0.573 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1c(C)cc(C)nc1OC 859141043 BYNQJWPARDCGBI-UHFFFAOYSA-N 291.351 0.968 0 50 CCAA CCCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 30493636 PNKGGZUXWHYANJ-UHFFFAOYSA-N 292.382 0.412 0 50 CCAA CO[C@H](C)c1noc(CN2CC[C@@H]3CCNC(=O)[C@@H]3C2)n1 1875281607 KGEXRHSZUBEEEC-OUAUKWLOSA-N 294.355 0.735 0 50 CCAA CO[C@H](C(=O)O)C1CCN(c2ncccn2)CC1 1875304907 YYPQCWTWSSHBBM-JTQLQIEISA-N 251.286 0.793 0 50 CCAA CCn1nnc(C)c1CS(=O)(=O)c1ncc(C)[nH]1 1776004240 PEUDGSOOSWCGNC-UHFFFAOYSA-N 269.330 0.612 0 50 CCAA CO[C@H]1C[C@@H](NCC(=O)N2CCOCC2)C12CCC2 308390245 IVYBWYRSCSOSGL-NEPJUHHUSA-N 268.357 0.392 0 50 CCAA O=C(O)C(=O)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 396747991 MADFAAIYQBUGGD-SNVBAGLBSA-N 266.297 0.098 0 50 CCAA CN1CCC[C@H]1C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1 426517772 DPLCCRZOBKPIIB-NWDGAFQWSA-N 278.308 0.728 0 50 CCAA O=S(=O)(N[C@H]1CCOC1)c1cnc(C2CC2)o1 2325803847 GHWIURPHPTYKLT-QMMMGPOBSA-N 258.299 0.619 0 50 CCAA COc1ccc(CC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 70136 KVEDBUQPONGYNX-UHFFFAOYSA-N 275.264 0.253 0 50 CCAA O=c1c2c3c(sc2ncn1C[C@@H](O)CO)CCCC3 151080 JTRZWCKGTOGJOO-MRVPVSSYSA-N 280.349 0.690 0 50 CCAA CN1CCO[C@@H](CNC(=O)c2ccnc(Cl)c2)C1 110483911 ZNHBCPZGIXXVIW-JTQLQIEISA-N 269.732 0.795 0 50 CCAA Cc1nnc2n1C[C@@H](CNC(=O)CN(C)C1CCC1)CC2 600816346 BOONKXKTSHSGJA-GFCCVEGCSA-N 291.399 0.749 0 50 CCAA Cc1ccccc1CC(=O)NCCN1CCOCC1 20418450 VCIWSOWEKJJPNC-UHFFFAOYSA-N 262.353 0.986 0 50 CCAA CCn1nc(C)c(CNC(=O)CN2CCCC2=O)c1C 66478516 ZOLFSEXKTBGKHP-UHFFFAOYSA-N 278.356 0.758 0 50 CCAA COC(=O)[C@H]1COC[C@@H](OC)N1C(=O)OC(C)(C)C 118552378 CSKNBUYMLWBSIE-RKDXNWHRSA-N 275.301 0.768 0 50 CCAA Cc1ccc([C@@H](O)Cn2nnc(C(=O)O)c2CO)c(C)c1 409444174 OACKBDZVBYIFPY-LBPRGKRZSA-N 291.307 0.819 0 50 CCAA C[C@H]1CNCC[C@@H]1NS(=O)(=O)N1CCC[C@@H](C)C1 252135886 LMCIOTHOTMDASU-WOPDTQHZSA-N 275.418 0.551 0 50 CCAA CC(C)Oc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1 151036399 PPIRPWOCNGFVSA-CHWSQXEVSA-N 278.352 0.813 0 50 CCAA CCc1nc2n(n1)C[C@@H](N[C@@H](CC)Cn1cncn1)CC2 328840053 OQSYJSGXLSVMRG-RYUDHWBXSA-N 289.387 0.815 0 50 CCAA CC[C@H](O)CC(=O)N1CCNC(=O)[C@H]1CC(C)C 331334568 PUVJLBCVTMRESL-WDEREUQCSA-N 256.346 0.521 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N2C[C@H]3CC[C@H]2C3)C[C@H]1C(=O)O 263178287 TUOQGTBTYUZHOX-VPOLOUISSA-N 288.369 0.368 0 50 CCAA O=C(Cn1ncc2c1C[C@H](O)CC2)NCc1ccco1 331560696 SGGZADCZORPZGH-LLVKDONJSA-N 275.308 0.642 0 50 CCAA Cn1c(C(=O)N2CCO[C@@]3(CCCOC3)C2)cccc1=O 286541114 YTCDUPFZACWRRL-HNNXBMFYSA-N 292.335 0.407 0 50 CCAA Cc1c[nH]nc1CNC[C@@]1(N2CCOCC2)CCCOC1 377407997 CYMHQEYMRQGHPE-HNNXBMFYSA-N 294.399 0.689 0 50 CCAA CCS(=O)(=O)C1CN(C(=O)c2ccnc(N(C)C)c2)C1 456287700 IKXXBNJMFGOYPD-UHFFFAOYSA-N 297.380 0.407 0 50 CCAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)CN)C[C@@H](C)O1 237509750 TVYMJWJLOMJTJP-IJLUTSLNSA-N 255.362 0.045 0 50 CCAA CC(C)Cc1cc(C(=O)N2C[C@H](CO)[C@@H](CO)C2)n(C)n1 219849555 CYNZUMWHAWGELM-VXGBXAGGSA-N 295.383 0.291 0 50 CCAA O=C([C@@H]1CCCCN1)N1CCC[C@H](Cn2cncn2)C1 237936377 RLFVGPJECIYLFE-STQMWFEESA-N 277.372 0.659 0 50 CCAA O=C(c1ccc(-n2cnnn2)cc1O)N1CCSCC1 41128080 DWLRIHXRFZAIKO-UHFFFAOYSA-N 291.336 0.557 0 50 CCAA COC[C@H](NC(=O)Cn1ccnc1)c1ccnn1C 220046632 BSMHYMFRXVOOJV-JTQLQIEISA-N 263.301 0.121 0 50 CCAA Cc1ccn2c(C(=O)NCC[C@H]3CCCOC3)nnc2n1 426678232 XLTDLZOTYVLULF-LLVKDONJSA-N 289.339 0.979 0 50 CCAA CC(C)C[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C(=O)O 178259536 ULVYXTDJZHWZLA-WDEREUQCSA-N 284.356 0.718 0 50 CCAA Cc1nonc1OCCNC(=O)CCc1cccnc1 223116466 YOPOCTQNUYQTBI-UHFFFAOYSA-N 276.296 0.901 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(C(=O)C[C@H]3CCCOC3)C[C@H]21 426739074 PCLLLYKPMJUZGE-SVDPJWKOSA-N 253.298 0.592 0 50 CCAA O=C(N[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCC[C@@H](C(=O)O)C1 191597197 PKDGVZZFJYCDCH-HBNTYKKESA-N 294.351 0.757 0 50 CCAA Cn1nnc2cc(C(=O)N3CC[C@@H](C(=O)O)C3)ccc21 237830243 XUEQVLCXTIJMCR-SECBINFHSA-N 274.280 0.515 0 50 CCAA Cc1nnc(CN(C)C(=O)CN2CCCCCC2=O)o1 95506418 OTQSFHHUGBUEAJ-UHFFFAOYSA-N 280.328 0.739 0 50 CCAA CC(=O)N(C)CC(=O)N[C@H]1CCN2CCCC[C@@H]12 334208439 XILCCUSNFPKDJS-RYUDHWBXSA-N 253.346 0.208 0 50 CCAA O=C1CCNC(=O)N1C[C@H]1COc2ccccc2O1 95513049 JJPFDPPFGWGWMQ-VIFPVBQESA-N 262.265 0.768 0 50 CCAA O=C(CCCn1cnnn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 524732576 BNHSPMKUKPKZFR-OCCSQVGLSA-N 293.371 0.607 0 50 CCAA CCn1c(CN2CCC(O)CC2)nnc1[C@H]1C[C@H](N)C1 244673921 HYDMYFIDIZHYKS-XYPYZODXSA-N 279.388 0.459 0 50 CCAA O=S(=O)(Cc1ccccc1)c1nccn1CCO 526059835 RUWUFMLNNCJXGS-UHFFFAOYSA-N 266.322 0.849 0 50 CCAA CSC[C@H](C)C(=O)N1CCO[C@@H](CC(=O)O)C1 299738373 KTJNTKCFUSSUQR-IUCAKERBSA-N 261.343 0.688 0 50 CCAA COc1ccc(C(=O)N2CCc3n[nH]c(=O)cc3C2)cc1 263619054 WQOBBTFSQZLSMI-UHFFFAOYSA-N 285.303 0.977 0 50 CCAA CC(C)C(=O)N[C@@H]1CC[C@H](C(=O)N2CCCC2)C[C@H]1O 1940197017 MGRZXVGHWKZEBN-YNEHKIRRSA-N 282.384 0.911 0 50 CCAA CN1CCCCC[C@@H]1C(=O)N1CCS(=O)(=O)CC1 823778624 HVCSOUXQCROODN-LLVKDONJSA-N 274.386 0.118 0 50 CCAA CS(=O)(=O)Nc1ccc([C@@H]2NCCC[C@@H]2N)cc1 757209153 FYRAFTAWQKHEOS-RYUDHWBXSA-N 269.370 0.810 0 50 CCAA C[C@H]1CN(C(=O)N=c2cc3ccccn3[nH]2)C[C@@H]1CN 632946992 UTPZRAUJGVQXNI-QWRGUYRKSA-N 273.340 0.815 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)[C@H](C)n1cccn1 643853131 SWHZPCWCBGZICN-GXFFZTMASA-N 281.312 0.536 0 50 CCAA CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@@H]1CCNC1 571638794 ZICWDJBHLBPMKT-LLVKDONJSA-N 287.323 0.700 0 50 CCAA O=C(COC[C@H]1CCCO1)NC[C@@H]1CCn2ccnc2C1 583615062 ULPSZOYLBZYMKB-CHWSQXEVSA-N 293.367 0.757 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2scnc2Cl)CCO1 583650622 SHPIIDWSWFYSRN-RXMQYKEDSA-N 276.701 0.722 0 50 CCAA CC/C=C/C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 584906949 PBQNXKLMSTZTNK-YIALFULDSA-N 279.384 0.893 0 50 CCAA CCn1nnc2cc(C(=O)N(C)Cc3nncn3C)ccc21 585083390 FQUCSUOHAKCZFQ-UHFFFAOYSA-N 299.338 0.852 0 50 CCAA C[C@H](CN(C)C(=O)c1cc(O)ccc1N)N1CCOCC1 1506431203 DUWSDOQENXDGDW-LLVKDONJSA-N 293.367 0.767 0 50 CCAA NS(=O)(=O)[C@H]1CCN(c2c(F)cncc2Cl)C1 1857530495 AJHBASXUTODGAF-LURJTMIESA-N 279.724 0.741 0 50 CCAA CN(C)CC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 328635840 NQRASIZHPYQWTP-ZDUSSCGKSA-N 269.389 0.117 0 50 CCAA O=C(c1cnsc1)N1CCC([C@H](O)CO)CC1 1772705499 NDHKVIRFTYUWGK-SNVBAGLBSA-N 256.327 0.349 0 50 CCAA O=C(NCc1cccn2nccc12)c1nc2ncccn2n1 1772808793 BKEJYFPRAQNHQR-UHFFFAOYSA-N 293.290 0.702 0 50 CCAA CN(C)C/C=C/C(=O)NCC(F)(F)C(C)(C)O 1875309173 WCXOYYKZMHKQSP-AATRIKPKSA-N 250.289 0.627 0 50 CCAA O=C(NCCCN1CCOCC1)c1ccccc1O 19932869 UZGIBSKECUCFSM-UHFFFAOYSA-N 264.325 0.844 0 50 CCAA COCCc1noc(CN(C)CC(=O)N2CCCCC2)n1 151031126 MKOPZIVSHYBHMK-UHFFFAOYSA-N 296.371 0.703 0 50 CCAA Cc1ccnn1CCN1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857690713 PSHSIVNIRCZREN-DZGCQCFKSA-N 292.383 0.155 0 50 CCAA Cn1cc(CN2CCCC[C@H]2C(=O)N2CCOCC2)nn1 408023393 RHQVIVZDZZBFHY-ZDUSSCGKSA-N 293.371 0.028 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)NCc1ccncc1 644239618 WDSSKKKMRLWLFM-LBPRGKRZSA-N 277.324 0.071 0 50 CCAA O=C(O)[C@@H]1CCCN(C(=O)Cn2cc(C3CC3)nn2)C1 128549299 QGGYSQIDEPJFJY-SNVBAGLBSA-N 278.312 0.479 0 50 CCAA CCC[C@]1(C(=O)O)CCN(Cc2n[nH]c(C)n2)C[C@@H]1O 1704312817 BMQVHBICSCAIHS-GWCFXTLKSA-N 282.344 0.551 0 50 CCAA C[C@@H]1CN(CCn2cc([C@H](O)C3CC3)nn2)C[C@@H](C)O1 952882093 PFDLPWMIZZLFKY-JTNHKYCSSA-N 280.372 0.831 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C1 1875273158 BWROBTYZJAYTCT-RUULKOMLSA-N 296.367 0.773 0 50 CCAA Cc1cc(NC(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)on1 1875291428 YKWRPJCCTSMHSE-HRDYMLBCSA-N 253.258 0.206 0 50 CCAA Cc1cc(C(=O)N=c2ccn(CCC(=O)O)[nH]2)ns1 1875393687 KYDOLNZLECCXNU-UHFFFAOYSA-N 280.309 0.797 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cncnc1C 888075967 IAVIRYCHQRAQJI-AWEZNQCLSA-N 292.339 0.152 0 50 CCAA COc1cc(C)nc(N2CC(c3n[nH]c(C)n3)C2)n1 895330709 WRYVOJWIFWMHOW-UHFFFAOYSA-N 260.301 0.824 0 50 CCAA O=C1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC1 299237688 VOFCRRPEUGNRJM-UHFFFAOYSA-N 274.276 0.823 0 50 CCAA COc1ccc(CN2CCC(O)(C(N)=O)CC2)cc1F 312566501 YWVAORBYIRXEGE-UHFFFAOYSA-N 282.315 0.647 0 50 CCAA CS[C@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 328597862 JDEMOIHYFVNCNC-LBPRGKRZSA-N 271.430 0.588 0 50 CCAA O=C(CCc1cn[nH]c1)NC1(C(=O)O)CCCC1 426518817 QDZHWSKGYSJFSG-UHFFFAOYSA-N 251.286 0.856 0 50 CCAA COc1ncccc1C(=O)N1CC[C@@](OC)(C(=O)O)C1 630254249 OWCJNXKZXRSVSP-ZDUSSCGKSA-N 280.280 0.406 0 50 CCAA CC[C@@H](C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccccc1 2100556965 WEZNNWZNUKINNV-KJWHEZOQSA-N 291.347 0.824 0 50 CCAA CCN1C(=S)N(CC)[C@@]2(O)c3ccccc3C(=O)[C@]12O 322104 AWXQUUFLRKRMNZ-ZIAGYGMSSA-N 292.360 0.659 0 50 CCAA O=C(c1cccc(-n2cnnn2)c1)N1CCOCC1 1060622 ADRFMVMNIORKEZ-UHFFFAOYSA-N 259.269 0.135 0 50 CCAA O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCN1CCOCC1 101815281 ZFVOIDZFVVBEQC-RYUDHWBXSA-N 298.770 0.836 0 50 CCAA CCC1(CO)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 345054454 NPIHCZBWTAMEHT-SNVBAGLBSA-N 254.330 0.276 0 50 CCAA C[C@H](CS(C)(=O)=O)NCc1cccc(N2CCC2=O)c1 252509525 YPBSHLLFMRPWLL-LLVKDONJSA-N 296.392 0.946 0 50 CCAA CN(CC1CC1)C[C@H]1CN(C(=O)c2cnns2)CCO1 328636502 OBCBHKHULWSFGS-NSHDSACASA-N 296.396 0.721 0 50 CCAA O[C@H](CN1CCCC[C@H]1Cn1cncn1)Cn1cccn1 257365017 GQVDGXQFSSEUNY-UONOGXRCSA-N 290.371 0.390 0 50 CCAA CCCN1C[C@H](C(=O)NC[C@H]2CCCO2)CC1=O 32497070 MEDDAYKEUQIIKL-GHMZBOCLSA-N 254.330 0.540 0 50 CCAA CCN1CCO[C@@H](C(=O)N2CC[C@@H](N3CCCC3)C2)C1 363173730 KQJNFOBWLGASHA-ZIAGYGMSSA-N 281.400 0.404 0 50 CCAA CCCc1noc(CS(=O)(=O)[C@H](C)[C@@H](C)O)n1 330921010 PXSCSWDFYBTPLP-HTQZYQBOSA-N 262.331 0.706 0 50 CCAA O=C(NCc1csc(N2CCOCC2)n1)c1cnn[nH]1 72158735 XIFSVPNQCDNYJU-UHFFFAOYSA-N 294.340 0.028 0 50 CCAA CCOC(=O)c1cn2ccnc(N3CCOCC3)c2n1 34247739 UUJNKCUAOJHVOQ-UHFFFAOYSA-N 276.296 0.743 0 50 CCAA Cn1nccc1COCC(=O)N1CC2(CCOC2)C1 341994535 BMLUCXPKONPXRJ-UHFFFAOYSA-N 265.313 0.186 0 50 CCAA O=C(CN1CCOc2ccccc2C1)N[C@@H]1CCOC1 215266267 DJZAYYNFMLAAHY-CYBMUJFWSA-N 276.336 0.786 0 50 CCAA C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCO[C@H](C(=O)O)C1 262933635 GPPWLIZOOPKDLG-WOPDTQHZSA-N 285.340 0.894 0 50 CCAA O=C(Cc1cccnc1)N[C@@H]1CNCCC1(F)F 335654369 UNNBUGOZILULBW-SNVBAGLBSA-N 255.268 0.738 0 50 CCAA CNS(=O)(=O)C1CCN(C(=O)[C@H]2CC2(C)C)CC1 335923740 UBSVOGKCRZCCPA-SNVBAGLBSA-N 274.386 0.573 0 50 CCAA C[C@H](C(=O)N1CCOC[C@@H]1C(=O)O)C1CCOCC1 263233162 CADREHRGZHHUPP-GXSJLCMTSA-N 271.313 0.361 0 50 CCAA COc1cccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1 284885054 QUOWORGKZLDDCF-BXKDBHETSA-N 262.309 0.889 0 50 CCAA Cc1cc(CC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)n[nH]1 241846689 SMUWEVCFIUBDQB-BQSGVUBFSA-N 263.341 0.784 0 50 CCAA CCO[C@@H](C)C(=O)NC1CCN(c2cnccn2)CC1 426716224 WKZPCQARWFOZPC-NSHDSACASA-N 278.356 0.987 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1c(C2CC2)cnn1C 614455681 MWDSFUSYXTVSHA-KWQFWETISA-N 276.340 0.694 0 50 CCAA CCc1nccn1CCCNC(=O)CN1CCN(C)C1=O 426517831 LQAYAMCJVVTNDL-UHFFFAOYSA-N 293.371 0.319 0 50 CCAA CCn1ncc(CN(C)C(=O)CN(C)CCO)c1C 426531869 VMBQTRQIWNGYMC-UHFFFAOYSA-N 268.361 0.094 0 50 CCAA Cc1cnn(CCNC(=O)[C@@H]2Cc3ccccc3C(=O)N2)c1 426647386 VWZWRLCWQASOAW-AWEZNQCLSA-N 298.346 0.662 0 50 CCAA Cc1cc(C(=O)NCCOc2nonc2C)c(=O)[nH]c1C 92001903 DUIHWGPWCPCUIO-UHFFFAOYSA-N 292.295 0.492 0 50 CCAA CN(C)[C@@H](C(=O)NCCCO)c1cccc(F)c1 95378756 KCUVUUIRFUEZSX-GFCCVEGCSA-N 254.305 0.927 0 50 CCAA O=C1C[C@@H](C(=O)N[C@H](C(=O)O)c2ccccc2)CCN1 238005541 IIJNSBXXIUBFEA-JQWIXIFHSA-N 276.292 0.455 0 50 CCAA CS(=O)(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 91596039 GZOHOLQPAGXUSH-NSHDSACASA-N 282.365 0.610 0 50 CCAA Cc1ccc([C@H](C(=O)NCCOCCO)N(C)C)cc1 91364771 JFQXLHNDBSBARG-CQSZACIVSA-N 280.368 0.723 0 50 CCAA CN(C)c1ccc(CC(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cc1 96137479 KTWVIHQFGFUALJ-GOEBONIOSA-N 292.379 0.639 0 50 CCAA COc1cc(NC[C@H]2CCCCN2C)nc(N)n1 234919604 SDWFFJDGEXMDTO-SECBINFHSA-N 251.334 0.964 0 50 CCAA Nc1nc(CNC(=O)[C@H]2CCOc3ccccc3C2)n[nH]1 95517061 ZEBBNHZDVUCXJG-JTQLQIEISA-N 287.323 0.645 0 50 CCAA C[C@@H](c1ccncn1)N(C)CCCS(=O)(=O)N(C)C 244873515 WRKXSOYYHXHGIG-NSHDSACASA-N 286.401 0.751 0 50 CCAA C[C@H]1CN(S(=O)(=O)NC[C@H](N)c2ccccc2)CCO1 299738661 DVYQZDLPFHUCPT-AAEUAGOBSA-N 299.396 0.242 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)c2cccc(F)c2F)[C@H](O)C1 252480474 CASYDESERWRLKK-VXGBXAGGSA-N 298.289 0.676 0 50 CCAA Cc1cc(N2CCC([C@@H](O)C(N)=O)CC2)c(C#N)c(C)n1 299742865 IYUDLADGHQYCBK-CQSZACIVSA-N 288.351 0.633 0 50 CCAA Cn1ccnc(N2CC(O)(c3ccc(F)cc3)C2)c1=O 184288021 LIDPDSLQSMULHX-UHFFFAOYSA-N 275.283 0.627 0 50 CCAA CCc1nn(C)c2c1NC(=O)[C@@H](CC)N(C)C2=O 534667011 RSUKPYFITZLNDP-MRVPVSSYSA-N 250.302 0.785 0 50 CCAA Cc1cnc([C@H](C)NC(=O)Cn2cc(C)c(O)nc2=O)[nH]1 534662661 ZECMPECEWGUENN-VIFPVBQESA-N 291.311 0.166 0 50 CCAA CC(C)C[C@H]1C(=O)N(CCN(C)C)CC(=O)N1C 821429167 BKVRINWNLVJMJR-NSHDSACASA-N 255.362 0.263 0 50 CCAA O=S(=O)(NCCc1nc(C2CC2)no1)c1cn[nH]c1 828388915 LCUPAPLZZMOCHI-UHFFFAOYSA-N 283.313 0.191 0 50 CCAA CN(CCC(C)(C)O)C(=O)[C@H]1CSC(C)(C)C(=O)N1 584899261 YSRQPGTYZHKOEH-SECBINFHSA-N 288.413 0.616 0 50 CCAA CCc1nc(CN(C)C(=O)CCCn2cnnn2)no1 584886796 IAXILLRJGZEJCV-UHFFFAOYSA-N 279.304 0.057 0 50 CCAA CCN1CCN(C(=O)[C@@H]2CC(=O)OC23CCCC3)CC1=O 584889436 QTRLBVQEKGJIAD-NSHDSACASA-N 294.351 0.553 0 50 CCAA COc1cccc(C)c1C(=O)NCC[C@H](O)CO 584901649 JTCIOCGBYZDXCG-JTQLQIEISA-N 253.298 0.477 0 50 CCAA CCc1nccn1CCn1cnc2c(cnn2C)c1=O 584886212 MWTUJOKKGSQTHZ-UHFFFAOYSA-N 272.312 0.589 0 50 CCAA O=c1c2ncccc2ncn1CC1(CO)CCOCC1 584888339 JAMSJHBQCBQUHT-UHFFFAOYSA-N 275.308 0.581 0 50 CCAA O=S(=O)(c1cn[nH]c1)N1CCN(CC2CCCC2)CC1 670441473 INMCGUVNZMLHGT-UHFFFAOYSA-N 298.412 0.906 0 50 CCAA Cn1nc(C(=O)N[C@H]2C[C@@H](N)C23CCC3)cc1O 1343083939 RTHVTIMMVUKBDF-BDAKNGLRSA-N 250.302 0.125 0 50 CCAA N[C@@H]1CNC[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C1 757213242 PLIAAMRPHXVDHD-QCLAVDOMSA-N 251.296 0.854 0 50 CCAA O=C(CNC[C@H]1CCCO1)NC[C@@H](O)c1ccccc1F 269258297 YDVBHFBEXPMNHF-BXUZGUMPSA-N 296.342 0.744 0 50 CCAA C[C@H]1CCCCN1C1CN(C(=O)CCS(C)(=O)=O)C1 952981188 MEYAACGJQFSXOT-NSHDSACASA-N 288.413 0.506 0 50 CCAA CCCNC(=O)CNC(=O)Cn1nc(C)c(C(C)=O)c1C 952874296 ZTTVQRUNBTYPRP-UHFFFAOYSA-N 294.355 0.345 0 50 CCAA O=C(NCCCn1cccn1)c1c[nH]nc1[C@@H]1CCOC1 275295673 MPSQWIHVZFLOQZ-LLVKDONJSA-N 289.339 0.930 0 50 CCAA COC[C@@H](O)Cn1nnc(Cc2ccccc2C)n1 170610596 RJSHGPSITZESED-LBPRGKRZSA-N 262.313 0.580 0 50 CCAA CO[C@@H]1CN(C(=O)c2cnn3c2CCC3)[C@](C)(CO)C1 634071151 QSYKVXIZDKSLSM-HZMBPMFUSA-N 279.340 0.441 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)NCCc1ccnn1C 190259172 CGHZDBXKIDDQCB-ZYHUDNBSSA-N 251.330 0.894 0 50 CCAA COC[C@]1(C(N)=O)CCCN1CC1=CCCOC1 643762985 OXINIRJMJRZEPK-ZDUSSCGKSA-N 254.330 0.299 0 50 CCAA O=C(O)[C@@H]1CCCCN1C(=O)c1ccc2c(n1)OCCO2 653471324 DJQWFBSETDRUIK-JTQLQIEISA-N 292.291 0.932 0 50 CCAA C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccccn1 195555175 FCKLUGLMINZLSO-MNOVXSKESA-N 269.370 0.972 0 50 CCAA N[C@]1(C(=O)O)CCN(Cc2ccc3c(c2)OCCO3)C1 67754299 NKGFNTFQZBTKAO-CQSZACIVSA-N 278.308 0.446 0 50 CCAA O=C(NC1CC1)C1(C(=O)N2CC(OC(F)F)C2)CC1 673135748 DXNHVXJVGDCPDP-UHFFFAOYSA-N 274.267 0.495 0 50 CCAA C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)[C@H]1CCCO1 585125231 KVEGCRJMLYFSAX-VPOLOUISSA-N 254.330 0.666 0 50 CCAA COC[C@H]1CC[C@H]1NC(=O)CNC(=O)c1ccoc1C 1615000919 GWCURKNSMVJEAP-ZYHUDNBSSA-N 280.324 0.859 0 50 CCAA CC1(C)OC[C@H]([C@@H](O)C(=O)N[C@@H]2CCCSC2)O1 1615605783 NMQHEBUINRELGD-OPRDCNLKSA-N 275.370 0.511 0 50 CCAA CC1(C)OC[C@H]([C@@H](O)CNC(=O)Cc2ccco2)O1 1615604933 HBKROSRDOUIAEJ-WDEREUQCSA-N 269.297 0.451 0 50 CCAA C[C@H](CS(C)(=O)=O)N(Cc1nccn1C)C1CC1 113260682 UMWDDWPPPDNHFJ-SNVBAGLBSA-N 271.386 0.818 0 50 CCAA COCCCN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704326467 XPFBQPIXURADOB-DGCLKSJQSA-N 251.330 0.348 0 50 CCAA Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)O)n1C 128259953 VBAXOTSPGDHMFP-JTQLQIEISA-N 266.297 0.649 0 50 CCAA Cc1nsnc1C(=O)NC[C@H]1Cc2nnc(C)n2C1 1775982361 UDLXBFUKUCJCOL-MRVPVSSYSA-N 278.341 0.349 0 50 CCAA Cc1nc(CN(C)C[C@H]2CCC(=O)N(C)C2)no1 1775982096 HMDJESCGYQACTK-SNVBAGLBSA-N 252.318 0.678 0 50 CCAA COc1cc(I)nc(N)n1 15021393 OUUIKPWOPKWOHG-UHFFFAOYSA-N 251.027 0.672 0 50 CCAA CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 16189292 MIUKDKYPDGUKEM-UHFFFAOYSA-N 290.366 0.129 0 50 CCAA COc1cnc(C)cc1C(=O)N1CC[C@H](NC(C)=O)C1 1857700346 FQFNFRXMJBLMQA-NSHDSACASA-N 277.324 0.749 0 50 CCAA Cn1cc(C(=O)NCc2cnc3ccccn23)ccc1=O 1857685184 PVNHDOMKWKOIBG-UHFFFAOYSA-N 282.303 0.963 0 50 CCAA Cc1cc(CC(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)on1 1857730415 PLPZZADKIKHQSL-RISCZKNCSA-N 291.307 0.085 0 50 CCAA CS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 407967851 RIJPNVACGPPLQJ-UWVGGRQHSA-N 297.380 0.475 0 50 CCAA CCn1cc([C@@H](C)NC(=O)N[C@@H]2CCCN(C)C2=O)cn1 527992005 DVBZDABIKOXDNO-ZYHUDNBSSA-N 293.371 0.884 0 50 CCAA CCN1CCN(C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)CC1 252431304 HCCOMQIAASWHSJ-WUHRBBMRSA-N 278.352 0.673 0 50 CCAA C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)[C@H]1c1ccccc1 900880901 FWMIKYMSQRVZNI-MLGOLLRUSA-N 287.363 0.638 0 50 CCAA O=S1(=O)CCCN1CCN1[C@H]2CC[C@H]1c1c[nH]nc1C2 931296653 QUDWBBVREOLLDV-GWCFXTLKSA-N 296.396 0.507 0 50 CCAA Cc1cc(C(=O)NCc2cnnn2C)nn1C(C)C 1120837668 ZBHOHXLZSTWDLE-UHFFFAOYSA-N 262.317 0.831 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)O)C1 236813979 NDXUIPBMTICRIW-WDEREUQCSA-N 268.313 0.321 0 50 CCAA NC(=O)c1ncc(NS(=O)(=O)CCCCF)s1 952882836 KUROEXKTHQRHCZ-UHFFFAOYSA-N 281.334 0.733 0 50 CCAA Cn1cc(Br)c(CN[C@@H]2COCC[C@H]2O)n1 1875270539 OPDCWLNFQZFWEQ-NXEZZACHSA-N 290.161 0.422 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCc2cnn(C)c2)CC1 1875365595 DXIIMGDWXQYZQX-UHFFFAOYSA-N 276.340 0.461 0 50 CCAA O=C(NC1CCS(=O)CC1)c1cc(O)nc(C2CC2)n1 1875332761 JBFRHFKQCSACFM-UHFFFAOYSA-N 295.364 0.701 0 50 CCAA Cc1nccnc1CCN1C[C@@H](O)[C@H](CC(=O)N(C)C)C1 1875399152 QDOMIQJMSJHTFE-TZMCWYRMSA-N 292.383 0.099 0 50 CCAA COc1nn(C)cc1CNC(=O)[C@H]1NCC12CCCC2 1775758482 UFJLEJIGWREYNY-LLVKDONJSA-N 278.356 0.577 0 50 CCAA CCc1cc(N2CCC[C@](O)(C(N)=O)C2)nc(C)n1 284575257 JASGTPNZLOJIRU-CYBMUJFWSA-N 264.329 0.164 0 50 CCAA O=C(c1cncc(F)c1)N1CCC[C@@H](OCCO)C1 178683859 OGJSXJLURDYYHS-GFCCVEGCSA-N 268.288 0.834 0 50 CCAA Cc1cc(CNC(=O)[C@H]2CCCNCC2)n(C)n1 96179545 MVYAPCQRAZDWDO-NSHDSACASA-N 250.346 0.734 0 50 CCAA Cc1csc(CN2CCC(O)(C(N)=O)CC2)n1 310334491 AWXUSWVRVPDINZ-UHFFFAOYSA-N 255.343 0.264 0 50 CCAA CCc1nnc(CN2CCC[C@@]2(COC)C(=O)O)n1C 643877879 CLVBKULOOCHSGH-CYBMUJFWSA-N 282.344 0.443 0 50 CCAA CO[C@H](C)[C@H](C)NCC1(O)CN(C(=O)OC(C)(C)C)C1 895205794 HLZANIQMZAAYMM-WDEREUQCSA-N 288.388 0.981 0 50 CCAA Cc1ccc(CNC(=O)C(=O)NCCCO)cc1 2993554 HFHCXYBTGJWZJN-UHFFFAOYSA-N 250.298 0.110 0 50 CCAA Cn1cnnc1CN1CCC[C@]12CCCN(C1CC1)C2=O 2356164697 CUAIIANDLUGYAX-OAHLLOKOSA-N 289.383 0.935 0 50 CCAA Oc1ccccc1CCc1nnc2n1CCNCC2 2356169741 XVUBAOMTKAUBKB-UHFFFAOYSA-N 258.325 0.915 0 50 CCAA COc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C1 4192877 NMCQKQUWCARVDB-VIFPVBQESA-N 269.322 0.612 0 50 CCAA COC(=O)CCN1C[C@H](C)N(CCC(=O)OC)C[C@@H]1C 101363039 VSGRPYHDZGUYJH-RYUDHWBXSA-N 286.372 0.507 0 50 CCAA CCc1cnc(C)nc1N1CCS(=O)(=O)CC1 65410135 WVXVUVYVQMZJAP-UHFFFAOYSA-N 255.343 0.582 0 50 CCAA COc1cccc(CN2CCC[C@](O)(CN)C2=O)c1OC 67473475 MCDIVWFCTYCSRZ-HNNXBMFYSA-N 294.351 0.516 0 50 CCAA NC(=O)N1CCCN(C(=O)c2cc(F)ccc2O)CC1 332254496 MNQCMSJYGRKTCX-UHFFFAOYSA-N 281.287 0.758 0 50 CCAA CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](O)C1 229578326 HOZOACZUEZTPNI-CHWSQXEVSA-N 291.351 0.640 0 50 CCAA CC(C)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 77425907 UGLVZYNWGFGHLA-CYBMUJFWSA-N 280.372 0.374 0 50 CCAA COc1ccccc1OCCN(C)C(=O)[C@@H]1CNCCO1 237144919 SMDMXORNUIBRQE-AWEZNQCLSA-N 294.351 0.521 0 50 CCAA CO[C@@H]1CCN(Cc2cccc(OCC(N)=O)c2)C1 216429297 NNWSDNUGHFQBSN-CYBMUJFWSA-N 264.325 0.771 0 50 CCAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3CSCN3)C2)no1 158641019 SBSWZUMQHTWDPY-WDEREUQCSA-N 296.396 0.822 0 50 CCAA CCCc1cc(C(=O)N2CC[C@](O)(CC)[C@H](O)C2)no1 72457272 FVWMWNZSYUPVJA-TZMCWYRMSA-N 282.340 0.975 0 50 CCAA O=S(=O)(N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1)C1CC1 368073864 SXVWONJYFSFZRZ-RYUDHWBXSA-N 289.397 0.778 0 50 CCAA O=C(O)c1ccnc(-c2ccnc(N3C[C@@H]4C[C@H]3CN4)n2)c1 77323340 DEOFDIJQDGCIQE-QWRGUYRKSA-N 297.318 0.787 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1cccc(-n2cccn2)n1 238085483 KDKROOSCQSKYOQ-LLVKDONJSA-N 286.291 0.957 0 50 CCAA CC[C@H]1COCCN1C(=O)Cn1nc(C)ccc1=O 77504698 FKDGWPQXLMXNPJ-NSHDSACASA-N 265.313 0.189 0 50 CCAA Cc1ncccc1O[C@@H]1CCN(c2ccc(C(N)=O)nn2)C1 373626262 PUEBVSCHJCXSHU-LLVKDONJSA-N 299.334 0.937 0 50 CCAA O=C(CO)N1CCN(C[C@@H]2CCOc3ccccc32)CC1 375292464 LSCHDWAUUXKGAN-ZDUSSCGKSA-N 290.363 0.689 0 50 CCAA COCCC[C@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 91724347 GGYRVOOZKFZVOU-CYBMUJFWSA-N 282.344 0.446 0 50 CCAA CCC(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1 244149375 UTZKZMQTGWQJMA-UHFFFAOYSA-N 297.399 0.083 0 50 CCAA O=C(CCn1cccc1)Nc1ccn2nnnc2c1 524734783 NTMGRPFJKSVNDW-UHFFFAOYSA-N 256.269 0.955 0 50 CCAA Oc1cc(C2CC2)nc2nc(N3CCNCC3)nn12 253534658 SOTDPBRBZYVZJO-UHFFFAOYSA-N 260.301 0.117 0 50 CCAA O=C(O)c1cnc(N2CCCCS2(=O)=O)nc1 606242795 PXOLYVJOFRDGTA-UHFFFAOYSA-N 257.271 0.105 0 50 CCAA CC(=O)NCCCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1 534590672 LAJWTUKYYDWKPU-KBPBESRZSA-N 297.399 0.272 0 50 CCAA CC(C)c1nccc(CN2C[C@H](O)C[C@H]2C(=O)O)n1 534589148 ANULPYKNNXIRDK-MNOVXSKESA-N 265.313 0.620 0 50 CCAA COCCc1noc(CNS(=O)(=O)c2cccnc2)n1 534674473 MDVWJZGGPJMBHB-UHFFFAOYSA-N 298.324 0.132 0 50 CCAA CC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(C)(C)C2)C[C@@H]1O 1940193729 SQEKALAJTSCDCF-AVGNSLFASA-N 282.384 0.911 0 50 CCAA Cn1nccc1C(=O)NC[C@H]1CCC2(CCNCC2)O1 299787915 YVJIABOTRMIQQO-LLVKDONJSA-N 278.356 0.451 0 50 CCAA Cn1cncc1C(=O)NCCSc1nc[nH]n1 828202248 QEZQSPFOZYVMHN-UHFFFAOYSA-N 252.303 0.060 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](O)CC2)C1 584892442 NZCMOLWUMGOFDW-UTUOFQBUSA-N 268.357 0.522 0 50 CCAA Cc1ocnc1C(=O)NCCCN1CCCC[C@@H]1CO 584893617 UIEACOJSYSVIMV-GFCCVEGCSA-N 281.356 0.950 0 50 CCAA CCN1CCN(Cc2ncnn2-c2cccnc2)CC1 670458845 QQVAOBLIOGFPOI-UHFFFAOYSA-N 272.356 0.800 0 50 CCAA CC(C)[C@](C)(O)C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 408300659 ZICRDOKOHQQWLR-UBHSHLNASA-N 271.357 0.800 0 50 CCAA CC(C)CS(=O)(=O)NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 408502381 QUNWRETYDKTSCF-AEJSXWLSSA-N 273.354 0.704 0 50 CCAA CN1CC[C@](C)(C(=O)N2CC(OC(F)F)C2)C1=O 635831547 ZIQYLOVXFRCVJN-NSHDSACASA-N 262.256 0.305 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1cnccn1 643852457 CTYSMMGGBGSOCR-LBPRGKRZSA-N 265.269 0.182 0 50 CCAA Cc1nnc2n1C[C@@H](C(=O)N1CCC=C(F)C1)N(C)C2 644407908 JIPUOGSVCZIIFI-NSHDSACASA-N 279.319 0.486 0 50 CCAA COC(=O)CCN1CC[C@H](N(C)CCN2CCCC2)C1=O 585094253 XANZTHGNUSOQKY-ZDUSSCGKSA-N 297.399 0.178 0 50 CCAA CN(Cc1cn(C)nn1)C(=O)[C@@H]1CNCC12CCCCC2 1615553342 JNLQVDNELVYZGX-ZDUSSCGKSA-N 291.399 0.943 0 50 CCAA C[C@H](C(=O)N1CC(c2nc(O)cc(O)n2)C1)C1CC1 1615585760 DLPYBXQMOPVRIR-ZETCQYMHSA-N 263.297 0.860 0 50 CCAA Cc1cc(C[C@H]2CN(C(=O)c3cc(C)on3)C[C@@H]2O)on1 1615733599 JWCHUMAKCGRTBE-GWCFXTLKSA-N 291.307 0.955 0 50 CCAA COCCOc1ccnc(NC(=O)N[C@H](CO)C(C)C)n1 1616036079 MTNCKENLUBJSMY-SNVBAGLBSA-N 298.343 0.640 0 50 CCAA CCNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529145841 NRLMHXADTUYTHD-KGLIPLIRSA-N 289.335 0.649 0 50 CCAA Cn1nc(C(=O)NCc2ccccc2)c2c1CCNC2 19681652 XXNLYRKHCSNZTA-UHFFFAOYSA-N 270.336 0.996 0 50 CCAA COC(=O)c1cnc(N2C[C@H]3COC[C@@H]2CN(C)C3)cn1 1875244520 SVOIAXLTODCLGP-QWRGUYRKSA-N 292.339 0.030 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(CC2(COC)CCC2)C1 643818347 LTPNMYXYMRNBIT-OAHLLOKOSA-N 284.400 0.766 0 50 CCAA Cn1cc(S(=O)(=O)NCc2cn3c(n2)CCCC3)cn1 263750850 GSDAPCXYHJOWMO-UHFFFAOYSA-N 295.368 0.431 0 50 CCAA Cc1ccnn1CCC(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1704339180 DCKQCTVCWXUVLQ-KBPBESRZSA-N 292.383 0.371 0 50 CCAA CC(C)C(=O)N[C@@H]1CC12CCN(Cc1nnn(C)n1)CC2 952895072 RUIWPRGRLPDEPY-LLVKDONJSA-N 292.387 0.337 0 50 CCAA CON(C)C(=O)CCN[C@@H]1CCC[C@@H]1n1ccnc1 952995396 KWWIMDBXYKQUJW-NEPJUHHUSA-N 266.345 0.976 0 50 CCAA Cc1cc(CNC(=O)c2cc3n(n2)C[C@H](C)NC3=O)ccn1 1875274324 MUQLAHCBZUPQND-JTQLQIEISA-N 299.334 0.648 0 50 CCAA CN1C[C@@H]2CN(C(=O)CC3(O)CCOCC3)C[C@]2(C)C1 887921005 NVNWYFUGXLPAQD-OCCSQVGLSA-N 282.384 0.328 0 50 CCAA COCc1nc(C(=O)N2CCOC[C@H]2C(=O)O)cs1 262544110 SEQONIDAIDBPHE-QMMMGPOBSA-N 286.309 0.215 0 50 CCAA Nc1ccccc1S(=O)(=O)N1CC2(CCOC2)C1 294157121 PDLFCHXJKPRFHV-UHFFFAOYSA-N 268.338 0.680 0 50 CCAA CN(CCN1CCCCCC1)C(=O)[C@@H]1C=CCN1 534587460 NJXUWYDDBBUIDS-ZDUSSCGKSA-N 251.374 0.849 0 50 CCAA CC(C)(F)C(=O)NC[C@H](C(=O)O)C1CCOCC1 864279843 HDZKQIBVWLXFEP-VIFPVBQESA-N 261.293 0.978 0 50 CCAA Cn1[nH]c(=NC(=O)N2CCN3CC[C@H]2C3)cc1C(F)F 2325769558 XUGSLRIEVLFLPY-QMMMGPOBSA-N 285.298 0.701 0 50 CCAA Cc1ccnc(NCCOCCOCC(=O)O)n1 900987663 NYETXRFOFRCDIL-UHFFFAOYSA-N 255.274 0.315 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCO[C@@H]3COCC[C@@H]32)o1 907749501 ZBRFDSMAFBLJPA-WDEREUQCSA-N 287.337 0.766 0 50 CCAA CC(=O)Nc1nc(C(=O)NC[C@@H]2CCN2C)cs1 928568621 HSKAHFBNLZCIJM-QMMMGPOBSA-N 268.342 0.535 0 50 CCAA O=C(NC[C@H]1COc2ccccc2O1)C(=O)N1CCCC1 3002795 FLQQOGQBFOQWIJ-NSHDSACASA-N 290.319 0.565 0 50 CCAA CN(C)c1nc2c(c(N3C[C@H](O)C[C@@H](O)C3)n1)CCCC2 2356161652 DCNQPLDGVJQLGB-GHMZBOCLSA-N 292.383 0.353 0 50 CCAA O=C(Cn1nnc2ccccc2c1=O)NCc1ccccn1 9061303 LFMXMSGOLYPYQB-UHFFFAOYSA-N 295.302 0.503 0 50 CCAA OCCNc1cc(N2CCC[C@@H](c3ccn[nH]3)C2)ncn1 67742457 FJILJFLDOQDZCC-LLVKDONJSA-N 288.355 0.988 0 50 CCAA CCc1cc(NCCNS(C)(=O)=O)nc(N(C)C)n1 65371559 XSCVQSCVCPMOLG-UHFFFAOYSA-N 287.389 0.066 0 50 CCAA CC(C)N(CC(N)=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 230168156 VGHCSQJMUFWCJU-OLZOCXBDSA-N 297.399 0.352 0 50 CCAA COC[C@H](CO)NC(=O)N=c1cc(-c2ccoc2C)o[nH]1 353337348 MNGKWYJXZGVHQZ-VIFPVBQESA-N 295.295 0.794 0 50 CCAA CCn1cc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)cn1 328616222 BMIFPPWCKFLGPD-LBPRGKRZSA-N 288.355 0.755 0 50 CCAA COc1ccc(OC)c2c1CC[C@@](N)(C(=O)O)C2 39417023 SVFFDKYNFVUNGU-ZDUSSCGKSA-N 251.282 0.975 0 50 CCAA C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)C[C@H]1CCCO1 257366162 LYXHBDPRJJFASX-MXWKQRLJSA-N 262.375 0.035 0 50 CCAA Cc1cc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)n[nH]1 363538743 BATMTLGCEDUJPH-CYBMUJFWSA-N 291.399 0.570 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)CC(=O)N1C 282524217 ZHKAAKOWVXDIDU-ZJUUUORDSA-N 276.340 0.519 0 50 CCAA CCCCS(=O)(=O)NC[C@H]1CC(=O)N(C(C)C)C1 74863832 VAZFUWXGOSNDHZ-LLVKDONJSA-N 276.402 0.963 0 50 CCAA CC(C)(C)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)no1 262918083 DNQHOXJEFBUWKT-SECBINFHSA-N 282.296 0.898 0 50 CCAA Cc1nc(C)c(N2C(=O)[C@@H]3COCCN3C2=O)s1 241171111 KEHXUKPBMYWXKV-QMMMGPOBSA-N 267.310 0.927 0 50 CCAA CN(C)CC(=O)N1CCN(c2ccccc2)C(=O)C1 82138772 WDFQQMLLPQEBFW-UHFFFAOYSA-N 261.325 0.423 0 50 CCAA O=C(NCc1ccc(O)cc1)NC[C@H](O)CN1CCCC1 426628783 PEZQPBYNFSFMRK-AWEZNQCLSA-N 293.367 0.648 0 50 CCAA O=C(NCc1cccnc1)N1C[C@H](O)[C@@H](N2CCCC2)C1 426549919 KVUIWCIEDGNNBO-KBPBESRZSA-N 290.367 0.432 0 50 CCAA C[C@@H]1CN(C(=O)c2nnc3ccccc3n2)CC(=O)N1C 291669263 WECHKNLKLMNKFT-SECBINFHSA-N 285.307 0.328 0 50 CCAA O=C1NCCN(C(=O)C2Cc3ccccc3C2)[C@@H]1CCO 426371980 HGVJHURWOIGECP-CQSZACIVSA-N 288.347 0.111 0 50 CCAA CCO[C@@H](C)C(=O)NC(C)(C)c1nnc(N)s1 426370828 UASMKYPTVWDSGI-LURJTMIESA-N 258.347 0.897 0 50 CCAA Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 91547160 HNARSGSKTWITMR-GFCCVEGCSA-N 292.383 0.955 0 50 CCAA CS(=O)(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 91518943 YZDAEHQEOWGBHX-UONOGXRCSA-N 295.408 0.937 0 50 CCAA Cc1cn(CCNC(=O)COC[C@@H]2CCCCO2)nn1 244795577 RJCDIOKDUCKHFX-LBPRGKRZSA-N 282.344 0.288 0 50 CCAA C[C@@H](Oc1ccc(F)cc1F)C(=O)NCc1nc(N)n[nH]1 534633652 DFEXMIJXIAKUDJ-ZCFIWIBFSA-N 297.265 0.749 0 50 CCAA Cc1nc([C@H](C)NS(=O)(=O)N2CCCC2)n[nH]1 352513042 UHGQPDLPSUKNSS-ZETCQYMHSA-N 259.335 0.104 0 50 CCAA CC(C)(C)c1noc(CNC(=O)C[C@H]2CCNC2)n1 299794954 KBYZNZGYZNMVTH-SECBINFHSA-N 266.345 0.983 0 50 CCAA O=C(Cn1cnnn1)NCCc1nc2ccccc2o1 577295284 VSZGZICNMCBMIV-UHFFFAOYSA-N 272.268 0.173 0 50 CCAA O=C(NCCN1CCCC[C@@H]1CO)c1ncccc1O 828711009 YBPWKYOLWWMFPM-LLVKDONJSA-N 279.340 0.364 0 50 CCAA Nc1cc(O)nc(CCN[C@@H]2CCCSC2)n1 584895713 NAVCKIMUWSNMNK-MRVPVSSYSA-N 254.359 0.792 0 50 CCAA C[C@H]1CN(CC(=O)NCC2CC2)CCN1c1cnccn1 1413087209 AZVOEHVNNXSCOJ-LBPRGKRZSA-N 289.383 0.513 0 50 CCAA O=C(NCC1CCN(C(=O)CCO)CC1)c1ccoc1 952975044 DBQPRDKUUSNOHR-UHFFFAOYSA-N 280.324 0.630 0 50 CCAA CC(C)[C@H]1CN(c2ncccn2)C[C@@H]1NC(=O)C1(N)CC1 91644205 YWZHRSDRUPCDLQ-NEPJUHHUSA-N 289.383 0.545 0 50 CCAA O=C(Cc1c(F)cccc1F)N1CC[C@H](CO)[C@@H](O)C1 192622674 KHUBEVNVESSPDJ-RNCFNFMXSA-N 285.290 0.709 0 50 CCAA C=CC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 585124748 QKIRDZCMBORCIF-VXGBXAGGSA-N 250.342 0.932 0 50 CCAA O=C(c1cnc(C2CC2)[nH]1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1606552306 WHRUPBKAROIPHK-YMTOWFKASA-N 291.307 0.460 0 50 CCAA COC1CC(C(=O)O)(N(C)C(=O)c2ccco2)C1 1875275167 LMYRSJYFEMGEFY-UHFFFAOYSA-N 253.254 0.984 0 50 CCAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3cnc(O)[nH]3)CCN21 1615953246 XSCBPKIBEJEFHV-MNOVXSKESA-N 294.355 0.441 0 50 CCAA Cn1nccc1C(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615955899 XQDNLBZCOULQSW-STQMWFEESA-N 286.335 0.803 0 50 CCAA Cc1nnc2n1C[C@H](CNC(=O)c1cscn1)C2 1857687839 HRIKJSVXMGYPPH-QMMMGPOBSA-N 263.326 0.645 0 50 CCAA Cn1cc(CCC(=O)N2CCC[C@@H]2C(=O)O)cn1 237767083 TWTLGQOHIBQKIW-SNVBAGLBSA-N 251.286 0.428 0 50 CCAA CN1CCN(C(=O)N=c2ccc(C3CC3)n[nH]2)CC1 448145413 CIYQFGYXTQPYGM-UHFFFAOYSA-N 261.329 0.555 0 50 CCAA OCCNc1nc2nonc2nc1N1CCCCC1 11816999 LRKCFFIGSWMHQU-UHFFFAOYSA-N 264.289 0.407 0 50 CCAA COCCN1C[C@H](C(=O)NCCCSC)CCC1=O 12023512 LMVBDHGGETZUIU-LLVKDONJSA-N 288.413 0.741 0 50 CCAA CN(C)S(=O)(=O)c1ccc(N2CCOCC2)nc1 19938615 IDHWPIKQVQMKCK-UHFFFAOYSA-N 271.342 0.169 0 50 CCAA Cc1nnc(CCNC(=O)c2c(C)ncn2C)s1 1857690959 WNOPLDLVUFIQNR-UHFFFAOYSA-N 265.342 0.861 0 50 CCAA COc1ncccc1C(=O)N[C@@H]1CCc2ncnn2C1 112657772 BRCLMWANYKUQAO-SECBINFHSA-N 273.296 0.427 0 50 CCAA NS(=O)(=O)c1ccccc1CNC(=O)[C@H]1CCCCO1 241139422 JQRZDPAZFQNBEF-LLVKDONJSA-N 298.364 0.519 0 50 CCAA NC(=O)C[C@]1(O)CCCN(CCc2ccccn2)C1 643804339 QSRDISKMSPQDIF-CQSZACIVSA-N 263.341 0.326 0 50 CCAA COCCCn1ccc(NC(=O)[C@H]2CCNC2)n1 237253362 SWPURIKXUVHELM-JTQLQIEISA-N 252.318 0.468 0 50 CCAA CCc1c(C(=O)NCCC(N)=O)cnn1C(C)(C)C 266657851 LBKVRMYULJJDJV-UHFFFAOYSA-N 266.345 0.806 0 50 CCAA Cn1nc(Cn2cc(C(N)=O)nn2)cc1C(F)(F)F 902299499 ZVVRFUIQLUGANA-UHFFFAOYSA-N 274.206 0.178 0 50 CCAA COc1cc(CN2CC[C@H](CO)[C@H](O)C2)cc(OC)c1 1203851836 GZFDHJABTNTHHH-IUODEOHRSA-N 281.352 0.879 0 50 CCAA Cn1ncnc1C(=O)NCc1ccc(CCO)cc1 903041570 QRFWBDIDNSDDJA-UHFFFAOYSA-N 260.297 0.280 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)Cc1cnn(C)c1C 907859146 SPFSOBWMCZDKJT-UHFFFAOYSA-N 278.356 0.721 0 50 CCAA OC[C@@]1(O)CCCN(c2[nH]cnc3nc(Cl)cc2-3)C1 865870408 UETKDPBZAZYTRV-GFCCVEGCSA-N 282.731 0.887 0 50 CCAA CCCn1cc(CNC(=O)c2noc(C)n2)nn1 1875282576 KCXFFAAUXCCFKL-UHFFFAOYSA-N 250.262 0.310 0 50 CCAA O=C(N[C@H](CO)Cc1ccoc1)c1cnn2c1NCCC2 1875311798 ARNLOTVTZYFCOK-NSHDSACASA-N 290.323 0.625 0 50 CCAA Cn1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)ccc1=O 262708312 KKXIWGXJDANYRR-SCZZXKLOSA-N 264.281 0.368 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)[C@@H]1COc2ccccc2O1 263290749 MBUOAJHYBWSWHP-SBMIAAHKSA-N 277.276 0.806 0 50 CCAA COc1ccc(OCCNC(=O)[C@H]2CNC(=O)C2)cc1 194780858 BYMJVJNRVYYYGY-SNVBAGLBSA-N 278.308 0.326 0 50 CCAA O=C(O)C[C@H]1COCCN1S(=O)(=O)Cc1ccccc1 72159158 DCIUWRIUVJFUSC-LBPRGKRZSA-N 299.348 0.692 0 50 CCAA CN1C[C@@H](NC(=O)c2ncccc2F)CCC1=O 668987963 OPARSZDMNFQXKN-QMMMGPOBSA-N 251.261 0.571 0 50 CCAA Cc1cc(NC(=O)CN2CC[C@H](NC(=N)O)C2)on1 330508982 CHPFQYPLVHGPHY-QMMMGPOBSA-N 267.289 0.078 0 50 CCAA CCCC[C@@H](CC(=O)O)NC(=O)c1cc(N)n[nH]1 426693638 DAFZTBUOQMVBCR-ZETCQYMHSA-N 254.290 0.755 0 50 CCAA O=C(Cc1cn2ccsc2n1)N1C[C@H](O)[C@@H](F)C1 1616107661 DBKFAZZUIGRYMW-IUCAKERBSA-N 269.301 0.480 0 50 CCAA O=C(CCc1ccccc1)Nc1c[nH]c(=O)[nH]c1=O 110476 CGUNIKKUSSDBRY-UHFFFAOYSA-N 259.265 0.635 0 50 CCAA COc1cc(C(=O)O)ccc1OCCNS(C)(=O)=O 1601443 ZHAJSGOGGVXYAC-UHFFFAOYSA-N 289.309 0.321 0 50 CCAA CCOC(=O)Cc1csc(NC(=O)C(=O)OCC)n1 2852263 QNVBMRBNNIXYJP-UHFFFAOYSA-N 286.309 0.750 0 50 CCAA COC(=O)[C@@]12COC[C@@H]1CN(Cc1nccn1C1CC1)C2 2356168492 GJOUUQMIUVVNEC-NHYWBVRUSA-N 291.351 0.839 0 50 CCAA CC[C@H](NC(=O)OC)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100879895 GYFZSFVIPDAGCG-HHKYUTTNSA-N 278.308 0.886 0 50 CCAA Cc1cc(C)c(C(=O)N[C@H]2CN3CCC2CC3)c(=O)[nH]1 65386421 UWCRYRBHEUWGCN-LBPRGKRZSA-N 275.352 0.816 0 50 CCAA CC1CCN(C(=O)CS(=O)(=O)[C@@H](C)[C@@H](C)O)CC1 172888498 NNNXORXFSJGJJW-MNOVXSKESA-N 277.386 0.429 0 50 CCAA CN(C[C@H]1CCCCN1C)C(=O)c1cc[n+]([O-])cc1 20785223 KNNKIIGDCBWDJD-CYBMUJFWSA-N 263.341 0.876 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 331483793 XPOOJTVGXPUIHL-YIYPIFLZSA-N 284.400 0.715 0 50 CCAA CC(C)[C@@H](NC(=O)CS(C)(=O)=O)c1ccccn1 67770922 NMJGFQBKWKIQFF-GFCCVEGCSA-N 270.354 0.940 0 50 CCAA CCc1ccc(CN(CCOC)C(=O)[C@H](N)CO)cc1 65371315 GBBLHKZLWOOULS-CQSZACIVSA-N 280.368 0.544 0 50 CCAA C[C@H](c1ccc(F)cc1)n1c(CCN)n[nH]c1=O 65386701 YKBGHBGNVPGCRW-MRVPVSSYSA-N 250.277 0.821 0 50 CCAA CNc1nc(OCC(F)(F)F)nc(N2CCOCC2)n1 449017 GVMLVDWTBSRCIJ-UHFFFAOYSA-N 293.249 0.691 0 50 CCAA biogenic Cc1cc(C)n(C[C@@H]2CN(Cc3cnn(C)n3)CCO2)n1 253393865 DHBPPXHBLRUBEF-AWEZNQCLSA-N 290.371 0.529 0 50 CCAA CC(C)[C@@H](O)C(=O)N1CCC(Cn2ccnn2)CC1 367553874 QKPDCDOOFBXODO-GFCCVEGCSA-N 266.345 0.534 0 50 CCAA Cc1ncc(CN(C)CC2CCN(CCO)CC2)[nH]1 216525572 DVWJIZODLRVBRQ-UHFFFAOYSA-N 266.389 0.854 0 50 CCAA CCn1ncnc1CN(C)CCN1CCCCC1=O 216007126 IPFCKCRCLJMNAK-UHFFFAOYSA-N 265.361 0.742 0 50 CCAA COC1(C(=O)N2CC[C@H](c3cnn(C)c3)C2)CCOCC1 284344972 MNUSNAZPUCWAFM-LBPRGKRZSA-N 293.367 0.932 0 50 CCAA CSc1ncc(CN2CC[C@@H](NC(C)=O)C2)cn1 216419624 IWEHMGMZTGYDMO-LLVKDONJSA-N 266.370 0.909 0 50 CCAA COc1cc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)ccn1 72133714 JOLKLTIZUFXGMK-CQSZACIVSA-N 291.307 0.757 0 50 CCAA CCO[C@H]1CN(C(=O)CSc2ccccn2)C[C@@H]1O 219983359 AXEPJXATDLORKW-QWRGUYRKSA-N 282.365 0.782 0 50 CCAA Cn1nc(CC(=O)Nc2cnccn2)c2ccccc2c1=O 341824617 OGYDSLKAIIIWJL-UHFFFAOYSA-N 295.302 0.905 0 50 CCAA CCNC(=O)[C@@H]1CCN(C(=O)c2cnc(SC)nc2)C1 220734330 DEJMTXYWZRSDER-SECBINFHSA-N 294.380 0.797 0 50 CCAA Cc1n[nH]c(C)c1CCCNC(=O)c1cncc(=O)[nH]1 426470966 WPUHBPPBMAXBFG-UHFFFAOYSA-N 275.312 0.472 0 50 CCAA OC[C@@H]1CCCN1c1cc(NC2(CO)CCC2)ncn1 292978198 HSUYRNTWOOIUER-NSHDSACASA-N 278.356 0.765 0 50 CCAA Cc1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)c(C)s1 334409226 SHLLVCJTEXHGEW-SECBINFHSA-N 288.394 0.874 0 50 CCAA Cn1cccc(C(=O)NCC[C@H]2CCCOC2)c1=O 529600307 KHLAOXFUEUWNNQ-LLVKDONJSA-N 264.325 0.932 0 50 CCAA C[C@@H](NC(=O)CSCCN1CCCC1)c1nncn1C 244734380 NEJBLEOMCDOJPN-LLVKDONJSA-N 297.428 0.821 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)CN(C)Cc1ccncc1 252478130 AEBQFSUWZKHDMS-KBPBESRZSA-N 293.367 0.434 0 50 CCAA Cc1ccc(NC(=O)N2CCS(=O)(=O)CC2)nc1 184229058 PRVNTSAXODSLBD-UHFFFAOYSA-N 269.326 0.652 0 50 CCAA Cc1noc(C)c1S(=O)(=O)NCC(F)(F)CO 184291877 ZNYKWQNOWIGVOD-UHFFFAOYSA-N 270.257 0.197 0 50 CCAA CCN1CC[C@@H](NS(=O)(=O)c2cccnc2)C1 359934265 ACVVXGPGQHFPJW-SNVBAGLBSA-N 255.343 0.454 0 50 CCAA COc1cc(C(=O)NCCc2nccn2C)ccn1 534662719 LSCWHZFWVQENCM-UHFFFAOYSA-N 260.297 0.796 0 50 CCAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1cnn[nH]1)C2 299781058 HJCKQSGDTKXYGM-SECBINFHSA-N 288.307 0.794 0 50 CCAA COCCN1C[C@H](CNC(=O)C(=O)c2ccco2)CC1=O 299763571 OUXSMMGHNDXMLL-JTQLQIEISA-N 294.307 0.073 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1Cc1cccc(OC)c1OC 299794513 KMOZSOLMVJMADP-RYUDHWBXSA-N 293.367 0.351 0 50 CCAA COCCN1C[C@@H](CNc2ncnc3[nH]ccc23)CC1=O 824412287 ADESCJNHKMXXNE-SNVBAGLBSA-N 289.339 0.865 0 50 CCAA C[C@H](CN1CCCCC1)NCCc1nnc(O)n1C 821260153 QYJZRAOEWPQGFO-LLVKDONJSA-N 267.377 0.527 0 50 CCAA Cc1[nH]ccc1C(=O)NCCS(=O)(=O)C1CC1 1335952005 OKIFFCZIDYOMII-UHFFFAOYSA-N 256.327 0.630 0 50 CCAA COC[C@@H]1[C@H](NC(=O)COc2cccnc2)[C@H]2CCO[C@@H]12 1565509611 IVTPEZVMPHTDAN-QHSBEEBCSA-N 292.335 0.627 0 50 CCAA O=C(CN1CCCCCC1)N1CCN2C(=O)OC[C@H]2C1 952980972 SFCGFNSNCGYEFV-GFCCVEGCSA-N 281.356 0.525 0 50 CCAA O=C(O)[C@H](C1CC1)N1CCN(CC2CCOCC2)CC1 635015188 DSJZMRGHFUKHIV-AWEZNQCLSA-N 282.384 0.894 0 50 CCAA CC(C)c1nnc2ccc(NC(=O)Cn3cnnn3)cn12 189250936 AKRMVTAPWLHTTP-UHFFFAOYSA-N 286.299 0.478 0 50 CCAA CCN1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1=O 190563585 VMNKWOLKAQJOLE-UHFFFAOYSA-N 296.348 0.352 0 50 CCAA CN(C[C@H]1CCCN1C)[C@H]1CCCCN(CC(=O)O)C1=O 643875916 FDWBMWXFCVDLLA-OLZOCXBDSA-N 297.399 0.478 0 50 CCAA CC[C@@H]1CN(C)CCN1C(=O)NCc1nc(COC)n[nH]1 666115380 FTNFMLRAGAHPCL-SNVBAGLBSA-N 296.375 0.187 0 50 CCAA Cc1cc(N2CCC[C@](O)(c3cnn[nH]3)C2)nc(C)n1 583616880 QPZZOPBYPSASHI-CYBMUJFWSA-N 274.328 0.700 0 50 CCAA CCc1noc(CN(C)c2cc(OC)nc(N)n2)n1 1506427646 LSMSKVCZOKMEHU-UHFFFAOYSA-N 264.289 0.649 0 50 CCAA CN(CC(=O)N1CC(C)(C)CC[C@H]1CO)C(=O)C1CC1 1615550142 VYSVZAQKPJLTKB-LBPRGKRZSA-N 282.384 0.864 0 50 CCAA Cn1nnc(S(=O)(=O)N[C@H]2CCc3cc(F)ccc32)n1 1615604657 CTZDTDWUCWDZQT-JTQLQIEISA-N 297.315 0.315 0 50 CCAA COc1ccccc1S(=O)(=O)N1CC[C@]1(C)CO 1775993627 SRVZANYIGHOWPB-GFCCVEGCSA-N 271.338 0.841 0 50 CCAA COCCCCN1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857691201 ZWMFERXVGJIXFO-TZMCWYRMSA-N 270.373 0.376 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cccn3C)C[C@@H]2O)on1 1704354920 MKRYMDMBHLBKHH-RISCZKNCSA-N 289.335 0.997 0 50 CCAA Cc1[nH]ccc1C(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704342759 PUHJEJRCLWLHEF-BXUZGUMPSA-N 286.335 0.789 0 50 CCAA CC[C@H](C)[C@H](C)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 365018921 PHCWVMCFVZFDGW-DCAQKATOSA-N 276.402 0.948 0 50 CCAA CS(=O)(=O)N[C@H]1CC(=O)N(CC2CCCCC2)C1 12455737 CETAPQZJMGDADX-NSHDSACASA-N 274.386 0.717 0 50 CCAA COc1ccc(OC[C@H](O)CN(C)S(=O)(=O)O)cc1 19809188 LJBCZHMVDVIARO-SECBINFHSA-N 291.325 0.170 0 50 CCAA C[C@H](NC(=O)CNC(N)=O)c1ccccc1-n1cccn1 153496094 DWJVYYZJZWFQRZ-JTQLQIEISA-N 287.323 0.718 0 50 CCAA CC(=O)N1C[C@H]2C[C@@]2(C(=O)N=c2cc3n([nH]2)CCC3)C1 1857527449 LCNUJNXJIDEPRY-QMTHXVAHSA-N 274.324 0.058 0 50 CCAA c1nc(N2CCO[C@@H](COCC3CC3)C2)c2[nH]cnc2n1 302502219 VOOSJRCOLVUNGA-LLVKDONJSA-N 289.339 0.985 0 50 CCAA Cn1cc([C@]2(C)CN(C(=O)[C@@H](N)C(C)(C)C)CCO2)cn1 119399454 NSTGRYUBNGWQRV-DOMZBBRYSA-N 294.399 0.868 0 50 CCAA NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 529779051 WYOHIXBUZQRSDY-NGDQXYMTSA-N 266.341 0.260 0 50 CCAA Cn1ncnc1CN1CCOc2ccccc2[C@H]1C(=O)O 903926050 CKTKRISDYWSHMH-ZDUSSCGKSA-N 288.307 0.835 0 50 CCAA COc1ncc(CN2C[C@H]3COC[C@@H]2CN(C)C3)cn1 1704329778 CQNHSMIKAWKPEV-STQMWFEESA-N 278.356 0.248 0 50 CCAA COC[C@@H]1CN(C(=O)NCC2(N(C)C)CC2)C[C@H](C)O1 864094329 QUVRQKVNWKVHAR-RYUDHWBXSA-N 285.388 0.526 0 50 CCAA C[C@H](O)c1cn(CCS(=O)(=O)c2ccccn2)nn1 1875282850 VJXQMNCYDADULR-VIFPVBQESA-N 282.325 0.200 0 50 CCAA CC(=O)N1CC(N2C[C@H](c3nc(C4CC4)no3)CC2=O)C1 1875269021 VMKOCWTZOUDOGF-SNVBAGLBSA-N 290.323 0.494 0 50 CCAA Cc1noc(=O)n1CCS(=O)(=O)c1ccccc1 1875391710 WNUKLDDJCJRCFC-UHFFFAOYSA-N 268.294 0.619 0 50 CCAA Cc1nonc1C(=O)N1CCOc2ccccc2[C@@H]1CO 887111548 SOSHXEAGAMIMKB-NSHDSACASA-N 289.291 0.946 0 50 CCAA O=C(C[C@@H]1COCCN1)N1CCO[C@@H]2CCCC[C@H]21 129018528 OTRKTJHAQFRECX-JHJVBQTASA-N 268.357 0.535 0 50 CCAA Cc1cnn([C@@H]2[C@@H](N[C@@H]3CCCS(=O)(=O)C3)C[C@H]2O)c1 1775959587 ILGAGPPSLXJMKJ-YVECIDJPSA-N 299.396 0.033 0 50 CCAA OC1(CN2CCC[C@](O)(C(F)(F)F)C2)CCOCC1 408417836 XGWMNUQIEDRGEE-LLVKDONJSA-N 283.290 0.917 0 50 CCAA O=C1NC(=O)[C@]2(CCN(Cc3cc(F)ccc3F)C2)N1 371047318 BTQVUHHXKYEEOM-CYBMUJFWSA-N 281.262 0.749 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ccon1 692323808 QWABALXNWRDQBV-NSHDSACASA-N 254.242 0.380 0 50 CCAA CO[C@H]1[C@@H](N=c2nc(O)c3c(ncn3C)[nH]2)[C@H]2CCC[C@H]21 2325786820 HFAXRHUOYNDSIU-QCBRBAQYSA-N 289.339 0.716 0 50 CCAA CC(C)[C@@]12CC[C@H](NC(=O)N[C@@H]3C[C@H](O)[C@H](O)C3)[C@@H]1C2 2325796514 WBSJOXCHWQGFDW-ZDDLAMDLSA-N 282.384 0.995 0 50 CCAA CN(CCN1CCCC1=O)S(=O)(=O)c1ccccn1 132022486 ODQGKQUHVOGHPN-UHFFFAOYSA-N 283.353 0.325 0 50 CCAA CN(Cc1ccccc1)Cc1nc2c([nH]1)c(=O)[nH]c(=O)n2C 2219789 JJEZJTWKHCGDLJ-UHFFFAOYSA-N 299.334 0.582 0 50 CCAA C[C@H]1C(=O)NCCN1C(=O)c1cccc(C(=O)O)c1 110672879 MRRCZHAOOTVNCF-QMMMGPOBSA-N 262.265 0.345 0 50 CCAA Cc1nc(N(C)C)nc(N2CCN(C[C@H](C)O)C[C@H]2C)n1 225336107 DEFBRTVCTYBULE-MNOVXSKESA-N 294.403 0.137 0 50 CCAA Nc1ccnc(N2C[C@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2C3)n1 102512775 ZNFFNEHLCXKAGU-UTUOFQBUSA-N 287.367 0.896 0 50 CCAA CCc1ccc(CN2C[C@H](N)C[C@H]2C(=O)NC)nc1 67756481 PGNJLLBANYNSOV-YPMHNXCESA-N 262.357 0.292 0 50 CCAA CC(C)C(=O)CNC(=O)c1ccc2nnn(C)c2c1 135137072 JGBKVAFKEXVHQN-UHFFFAOYSA-N 260.297 0.923 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)NCC(F)(F)CO 346549425 BUUUHKRNLCYHIT-DTWKUNHWSA-N 251.273 0.935 0 50 CCAA COC[C@@H](C)C(=O)N1CCC(c2ccnn2CCO)CC1 135350860 JIFRFXICKKHNRU-GFCCVEGCSA-N 295.383 0.864 0 50 CCAA Cc1nc(C)n(CCCN2C[C@@H](C(=O)O)CC2=O)n1 65381661 QGIMCACTSMDAFI-JTQLQIEISA-N 266.301 0.218 0 50 CCAA Cc1cc(C(=O)NCCN2CCOC2=O)nc(C)n1 65458228 ZGOVENXSMSVKTK-UHFFFAOYSA-N 264.285 0.275 0 50 CCAA O=C(c1cn(C[C@@H]2CCCNC2)nn1)N1CC=CC1 65405061 WPHPYTTWWSYTIG-LLVKDONJSA-N 261.329 0.290 0 50 CCAA CC(C)(C)C(=O)C(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076092212 OZJLAWXIIJWHGV-MNOVXSKESA-N 292.339 0.566 0 50 CCAA Cc1cc(NS(=O)(=O)c2cccc(C(N)=O)c2)no1 33359632 MZWFWVZEBOPSBD-UHFFFAOYSA-N 281.293 0.883 0 50 CCAA COC(=O)[C@H]1COCCN1C(=O)[C@@H]1[C@H]2CCC[C@H]21 253199055 WCXDEWKHVOHSGD-YTWAJWBKSA-N 253.298 0.433 0 50 CCAA CN(CC(N)=O)C[C@@H]1CN([C@@H]2C=CCCC2)CCO1 253398438 QUGLVFIXOJZQIS-CHWSQXEVSA-N 267.373 0.213 0 50 CCAA COCc1c(C(=O)N2CCC[C@@](O)(CO)C2)noc1C 72144574 HEPNIERMPQATPL-ZDUSSCGKSA-N 284.312 0.089 0 50 CCAA Cc1c(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)cnn1C 261587139 UWAAJZWVBIFAFB-VHSXEESVSA-N 272.374 0.134 0 50 CCAA O=C([C@H]1C[C@@]12CCOC2)N1CCN(C2CC2)CC1 368121521 TUPMIKMMRPBCMJ-TZMCWYRMSA-N 250.342 0.720 0 50 CCAA CN(C)c1ccc(CC(=O)NCCn2cncn2)cc1 219879312 MHPHJCQAAHEUOO-UHFFFAOYSA-N 273.340 0.703 0 50 CCAA Cc1cn(CCNC(=O)c2cnn(C(C)C)c2)nn1 77385833 SEEOALDWSMUEFX-UHFFFAOYSA-N 262.317 0.794 0 50 CCAA CC1(C)CN(CC(=O)N2CCNC2=O)[C@@H]2CCC[C@H]2O1 369740457 SGZKPRJDNQYTLR-GHMZBOCLSA-N 281.356 0.570 0 50 CCAA Cn1cc(C(N)=O)cc1C(=O)N1CCCC[C@@H]1CN 237874509 YXERVURAMYBTGX-SNVBAGLBSA-N 264.329 0.077 0 50 CCAA CCOCCCNC(=O)[C@H](C)N1CC[C@](O)(C(F)F)C1 451439684 OGZUEPYBLIIKIC-GXFFZTMASA-N 294.342 0.620 0 50 CCAA Cc1cc(C)n(-c2cncc(N(C)CC(=O)O)n2)n1 263423053 QBLOCHCISOMTOK-UHFFFAOYSA-N 261.285 0.800 0 50 CCAA COCCN1C[C@@H](NC(=O)c2ccncc2)CC1=O 222386973 SNMSFXRSSUTHSH-NSHDSACASA-N 263.297 0.059 0 50 CCAA CN(C)S(=O)(=O)NCc1noc(-c2cccs2)n1 49470560 KDSIQJLYRWACDH-UHFFFAOYSA-N 288.354 0.694 0 50 CCAA Cn1ccnc1CN=c1cc([C@H]2CCOC2)nc(N)[nH]1 426498533 KJNHJZZLPVFHBK-VIFPVBQESA-N 274.328 0.330 0 50 CCAA Cc1cc(NC(=O)Cn2ccnn2)n(-c2ccccn2)n1 48194361 ZNYRPCQOHRFDPY-UHFFFAOYSA-N 283.295 0.806 0 50 CCAA CCn1nccc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C 223557909 GMJVJOZPDUXSRG-GWNIPJSYSA-N 278.356 0.350 0 50 CCAA COc1cc(OC)cc(N2CC[C@@H](N(C)CCO)C2=O)c1 177845027 JXCNXLSEFXSYNC-CQSZACIVSA-N 294.351 0.733 0 50 CCAA Cc1nc(C)c(S(=O)(=O)N2CCC[C@H](O)C2)s1 178553905 AMPKYUQXNGYJTP-VIFPVBQESA-N 276.383 0.905 0 50 CCAA CC(C)S(=O)(=O)N1CCn2nc([C@@H](O)C3CC3)cc2C1 220609650 KXKPLGXDCXVTPU-ZDUSSCGKSA-N 299.396 0.880 0 50 CCAA C[C@@H](CN(C)C(=O)NCc1ncc[nH]1)N1CCOCC1 426613689 XATPANQRMFOLPJ-NSHDSACASA-N 281.360 0.272 0 50 CCAA CC[C@@]1(CO)CCCN(C(=O)Cc2cnc[nH]c2=O)C1 91381378 XRUXZBQJPOLNKI-CQSZACIVSA-N 279.340 0.324 0 50 CCAA COc1cccc(-c2cc3n(n2)[C@H](O)CNC3=O)c1 98211108 PYVNPBFTQZQKRS-GFCCVEGCSA-N 259.265 0.793 0 50 CCAA CC(C)CCN1CCN(C(=O)CN(C)C)C[C@@H](C(=O)O)C1 97572278 ZMZPODWIIQHYES-ZDUSSCGKSA-N 299.415 0.439 0 50 CCAA CO[C@@H]1CN(Cc2cc(C)no2)C[C@H]1c1cnn[nH]1 621317180 RBYASPGLPIQWKS-CMPLNLGQSA-N 263.301 0.716 0 50 CCAA O=C(c1ccoc1)N1CCCN(C(=O)[C@@H]2C=CCN2)CC1 534588815 LATKAVQKMFIQSF-ZDUSSCGKSA-N 289.335 0.482 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1Nc1ncc(F)c(N2CCCC2)n1 534637910 UYHXHXGCNVNARX-RYUDHWBXSA-N 295.362 0.957 0 50 CCAA COc1cc(NCCN2CCC(CO)CC2)nc(N)n1 534580348 MTCHNILMHZQBMO-UHFFFAOYSA-N 281.360 0.184 0 50 CCAA COCCCN(C(=O)c1ncc[nH]1)C1CCN(C)CC1 615046057 IMZJJRDRFCAGRQ-UHFFFAOYSA-N 280.372 0.983 0 50 CCAA CCn1c(C)cc(C)c(C(=O)N(C)[C@H]2COC[C@@H]2O)c1=O 299757281 JZUFHFWFNWEZRR-RYUDHWBXSA-N 294.351 0.317 0 50 CCAA Cc1cnn(CCC(=O)N2CCOC[C@H](CN(C)C)C2)c1 299782658 TVPDJXUMUDKHSX-CQSZACIVSA-N 294.399 0.618 0 50 CCAA Cc1nc(N2CCOCC2)ccc1NC(=O)C(C)(C)N 646255417 LQMBWWMPDSVMLY-UHFFFAOYSA-N 278.356 0.902 0 50 CCAA CC(C)Cc1nc(CNS(=O)(=O)N(C)C(C)C)no1 821487777 UFFPADBGYOVTDL-UHFFFAOYSA-N 290.389 0.943 0 50 CCAA O=C1N[C@H](Cc2ncnn2CCCO)c2ccccc21 670434028 ZZMMUKOOGGKJIW-GFCCVEGCSA-N 272.308 0.688 0 50 CCAA CCOC(=O)c1c(C)nc(N2C[C@@H](O)[C@H]2C)nc1C 1875316276 FQTPLFIGNQGODA-NXEZZACHSA-N 265.313 0.840 0 50 CCAA CC(C)(C)OC(=O)N1CCO[C@H](C2=NCCN2)C1 1535543614 HBUZXPIAWDNCOM-VIFPVBQESA-N 255.318 0.624 0 50 CCAA C[C@H](N)C(=O)N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 166612610 ZOUJTTOHTCIQMB-MCIONIFRSA-N 282.432 0.351 0 50 CCAA C[C@@H](O)C[C@@H]1COCCN1C(=O)c1ccc2[nH]nnc2c1 274430180 QAZVZFOZVXAQKS-MWLCHTKSSA-N 290.323 0.570 0 50 CCAA C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)C1(C)CC1 408226677 OUSXUGJAYNKFMS-RTHLEPHNSA-N 253.389 0.568 0 50 CCAA O=C(NC[C@@H]1CCCOC1)C1CN(CC(F)F)C1 408521966 AWQGEADICWGRGX-VIFPVBQESA-N 262.300 0.726 0 50 CCAA Cc1cc(C(=O)N(C)[C@@H]2CCNC2)ccc1S(N)(=O)=O 408513554 XVHIQUUYWHCKCC-LLVKDONJSA-N 297.380 0.076 0 50 CCAA C[C@H]1CN(C(=O)CN[C@H]2CCCn3nccc32)C[C@@H](C)O1 640216513 BGWXEFSCIWOEHJ-XQQFMLRXSA-N 292.383 0.943 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccnc(C)c2)C1 644035474 QCSFFCPBGPQRQO-OAHLLOKOSA-N 291.351 0.493 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cn[nH]c1 644227397 PNWZRFMCGRACCG-UTUOFQBUSA-N 264.329 0.127 0 50 CCAA O=C(NC1CC1)C1(C(=O)N2CC(OC(F)F)C2)CCC1 562446587 MMVGMLADTASDJU-UHFFFAOYSA-N 288.294 0.885 0 50 CCAA Cn1cnn(-c2ccc(NC(=O)[C@H]3CCCN3)cc2)c1=O 195555044 OVPXRWUXJUKJLT-GFCCVEGCSA-N 287.323 0.262 0 50 CCAA O=C(CNC(=O)c1ccc(F)cc1)NC1CSC1 585131556 ZCUMIVVVAIBMFF-UHFFFAOYSA-N 268.313 0.787 0 50 CCAA O=C(CCc1cccnc1)N1CCOC[C@H](O)C1 77300334 BYSGRCYFGAWJMN-GFCCVEGCSA-N 250.298 0.234 0 50 CCAA O=S(=O)(N1CCCC1)N1CCC[C@@H](C2(O)CC2)C1 1772812510 KUHCKJSPKHDYJS-LLVKDONJSA-N 274.386 0.564 0 50 CCAA CC1=C(C(=O)N2CC[C@H](CN(C)C)C2)OCCO1 1506424883 CZFMEFGRUGUWRB-LLVKDONJSA-N 254.330 0.675 0 50 CCAA O[C@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1Cc1ccncc1 1704359621 VUHCDCXQHGJIHI-NEPJUHHUSA-N 296.334 0.788 0 50 CCAA CS(=O)(=O)C1(C(=O)Nc2nncs2)CCC1 331750573 FRAAUDKNQMPTFZ-UHFFFAOYSA-N 261.328 0.444 0 50 CCAA COc1ncc(C)cc1NC(=O)NC1(C(N)=O)CC1 125620019 KRKJZKGJGISVED-UHFFFAOYSA-N 264.285 0.538 0 50 CCAA CO[C@H]1C[C@H](N(C)S(=O)(=O)C2COC2)C12CCC2 333057275 HSDWIUGAARBXTR-QWRGUYRKSA-N 275.370 0.604 0 50 CCAA CCS(=O)(=O)NCCNC(=O)c1ccc(F)cc1O 123393961 ICBZCPXKPJVMCJ-UHFFFAOYSA-N 290.316 0.200 0 50 CCAA COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1 12651921 TWBMOZBLGOYZIK-UHFFFAOYSA-N 281.312 0.393 0 50 CCAA COCc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C 14806781 NBLBCGUCPBXKOV-UHFFFAOYSA-N 266.301 0.226 0 50 CCAA in-vitro NC(=O)c1cc(S(=O)(=O)NCc2ccco2)cs1 16624359 YQPMQZGBBPLXRA-UHFFFAOYSA-N 286.334 0.919 0 50 CCAA NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 16651183 GQJUKXIUASYIHJ-UHFFFAOYSA-N 298.364 0.125 0 50 CCAA O[C@@H](COCc1ccccc1)CN1CCOCC1 19537387 AFOBAUYOOAMFMF-CQSZACIVSA-N 251.326 0.896 0 50 CCAA CCCOCC(=O)N1CCC[C@@](O)(Cn2ccnn2)C1 330526301 LUXFFXDSYMXFTC-ZDUSSCGKSA-N 282.344 0.058 0 50 CCAA Cc1nc(C)c(S(=O)(=O)N2CCN[C@@H](C)C2)s1 237694613 ONBMOPVCZDAQKL-ZETCQYMHSA-N 275.399 0.742 0 50 CCAA Cc1cc(CC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)no1 583325373 JYVAVSSYNCQYJG-AXFHLTTASA-N 264.281 0.990 0 50 CCAA CSC[C@H](C)C(=O)N1CC[C@@H](c2cc(O)nc(=N)[nH]2)C1 585131508 XQMXZYCVUBEXTD-DTWKUNHWSA-N 296.396 0.910 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)N1CCC(N)CC1 911618810 DRLWKJDGAGWASG-MRXNPFEDSA-N 289.379 0.745 0 50 CCAA CCS(=O)(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 13680637 SQUGTGCJHOYVLI-JTQLQIEISA-N 270.310 0.089 0 50 CCAA Cn1nncc1NS(=O)(=O)c1cccc2c1OCCC2 844828818 IOUIYJOOXGVQFL-UHFFFAOYSA-N 294.336 0.941 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@H]1CCC[C@H]1N 237135507 UKHJXKIWASVPMP-WDEREUQCSA-N 253.346 0.195 0 50 CCAA CCn1nnc(C)c1CN1CCC[C@@H](NC(=O)NC)C1 952993875 LFKZMYYWTWZYBL-LLVKDONJSA-N 280.376 0.500 0 50 CCAA Cc1ccc(NC(=O)c2cn(C3COC3)nn2)nc1 1875275368 CKALHPAUVFLZLM-UHFFFAOYSA-N 259.269 0.805 0 50 CCAA C[C@]1(C(=O)NCCN2CCOC2=O)Cc2ccccc2N1 1875301381 HLEGQGBCXNAHQE-OAHLLOKOSA-N 289.335 0.982 0 50 CCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccoc2C2CC2)C1 885296969 SQTZRMFTLYHEPZ-SECBINFHSA-N 298.364 0.908 0 50 CCAA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(C)n1)C2 888097891 SEXNDHUWLRFQFH-KBUPBQIOSA-N 293.415 0.384 0 50 CCAA O=C(c1ccsc1)N1CCC(O)(C(=O)O)CC1 262468407 JDYKOFLSNZYYNZ-UHFFFAOYSA-N 255.295 0.800 0 50 CCAA O=C(Cn1ccc(C(F)(F)F)n1)N[C@H]1C[C@@H](C(=O)O)C1 263046787 DMPRWLCMSHGHRE-KNVOCYPGSA-N 291.229 0.881 0 50 CCAA CC(C)(C)c1noc(CN2C[C@@H](C(=O)O)CC2=O)n1 65489924 MVVKQGLMSBOUBU-ZETCQYMHSA-N 267.285 0.800 0 50 CCAA COc1ccc(=Nc2ncc(C)c(N(C)C)n2)[nH]n1 2100540735 NRKOFGYNDMLOIJ-UHFFFAOYSA-N 260.301 0.815 0 50 CCAA O=C([C@H]1CCCO1)N1CCN(c2ncccn2)CC1 475876 YDVNPRYCQGGRRX-LLVKDONJSA-N 262.313 0.304 0 50 CCAA CN1CC(=O)N(CC(=O)N2CCc3sccc3C2)C1=O 54844641 HVPACWAEDFIECT-UHFFFAOYSA-N 293.348 0.527 0 50 CCAA OCC1(O)CCN(Cc2nc(-c3cccnc3)no2)CC1 67843282 YDBUBOKQNVICDV-UHFFFAOYSA-N 290.323 0.451 0 50 CCAA COC(=O)[C@H]1CCC[C@H](NC(=O)c2ncccn2)C1 252551341 UCODBVFRPLCDJL-UWVGGRQHSA-N 263.297 0.938 0 50 CCAA Nc1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1)C2 39205463 PUDMEXIJNZOGIC-UHFFFAOYSA-N 256.309 0.910 0 50 CCAA Cc1nc(CN2CCN(C(=O)c3cnn(C)c3)CC2)no1 332118903 VVRZGZOQBGHFII-UHFFFAOYSA-N 290.327 0.070 0 50 CCAA O=C(O)c1ccccc1CN1CCOC[C@@H](CO)C1 77376184 JZSSEGQIJZIWBI-LLVKDONJSA-N 265.309 0.826 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1c1ncnc(N)c1Cl 284534433 KCOQMPMKKOEPRV-UHNVWZDZSA-N 259.672 0.114 0 50 CCAA C[C@@H](Sc1ccccn1)C(=O)NCCc1n[nH]c(=O)[nH]1 222281350 IAQMDNZRMRIMBX-MRVPVSSYSA-N 293.352 0.333 0 50 CCAA C[C@]1(NC(=O)CCCn2cccn2)CCS(=O)(=O)C1 221178466 NTGUXLJLISURSC-LBPRGKRZSA-N 285.369 0.357 0 50 CCAA CCn1cnnc1CCNC(=O)c1n[nH]c(C)c1Cl 426485584 KEJMVCYXEAYYFA-UHFFFAOYSA-N 282.735 0.955 0 50 CCAA CC(C)(C)N1C[C@@H](C(=O)NC2(C(=O)O)CCC2)CC1=O 426529193 CJGLBTNQMKXLNZ-VIFPVBQESA-N 282.340 0.757 0 50 CCAA O=C(N[C@]1(CCO)CCOC1)c1nc[nH]c2nccc1-2 614078152 NGKXPYSJVPNANB-CYBMUJFWSA-N 276.296 0.181 0 50 CCAA O=C(O)C[C@H]1CCCCN1C(=O)CCCN1CCOCC1 426661259 NOVNWDVSHCTMKO-CYBMUJFWSA-N 298.383 0.955 0 50 CCAA CNC[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 178408806 UMHXWZMTSYYSBF-DOMZBBRYSA-N 273.380 0.769 0 50 CCAA COCc1cc(CNC(=O)NC2(CO)CCCC2)[nH]n1 426580894 APXWACNGSWDASJ-UHFFFAOYSA-N 282.344 0.660 0 50 CCAA O=C(Cn1ccnn1)NC[C@H]1CCCN(C(=O)C2CC2)C1 426529476 UJYWBHHHLAKZOF-LLVKDONJSA-N 291.355 0.043 0 50 CCAA CCCn1cc(CNC(=O)CN2CCC[C@H](O)C2)cn1 230543366 BTTWHTLGKLBUPM-ZDUSSCGKSA-N 280.372 0.366 0 50 CCAA O=C(O)c1[nH]ncc1CN1CC(N2CCCCC2)C1 97675348 ZDDGZCUZCBJNNF-UHFFFAOYSA-N 264.329 0.778 0 50 CCAA O=c1[nH]ccn1CCN1CCC2(CC1)OCCC[C@H]2O 243901601 BDGCBIXOSAVBFX-GFCCVEGCSA-N 281.356 0.182 0 50 CCAA C[C@@H](c1ccncn1)N(C)CC(=O)N1CCOCC1 244691692 JHKYZEBZEQSOJQ-NSHDSACASA-N 264.329 0.328 0 50 CCAA CSCc1noc(CN(C)C[C@H]2COCCO2)n1 244811465 SDGUGHJBAQGVCY-VIFPVBQESA-N 273.358 0.780 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1cccc(O)n1 253537111 XUEXVTZBDLOWAI-RYUDHWBXSA-N 277.324 0.380 0 50 CCAA C=CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 299228199 YDIUKXJWFYMVGM-UHFFFAOYSA-N 287.363 0.876 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1nc2ccc(C)cn2c1F 534647341 WEVWLAMFERRVIZ-UWVGGRQHSA-N 293.298 0.925 0 50 CCAA CC(C)c1nccn1CCCNC(=O)C[C@H]1CNCCO1 299796189 ODQGAXMMAWBKJP-ZDUSSCGKSA-N 294.399 0.891 0 50 CCAA Cc1cc(N)n(CC(=O)NCCCn2cc(Cl)cn2)n1 299777676 LJBNMAODCYEQOL-UHFFFAOYSA-N 296.762 0.830 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)CCCN1CCCC1 824506843 TVIKOZMABWCIMX-STQMWFEESA-N 270.373 0.783 0 50 CCAA O=C(NCCCN1CCCC[C@H]1CO)[C@H]1CC[C@H](O)CC1 828710834 MASPJPYDPUWXHH-KKUMJFAQSA-N 298.427 0.891 0 50 CCAA O=C(CCCN1CCOCC1)NC[C@@H]1CCOC1 828022274 OBGVMPZDSBPBNB-LBPRGKRZSA-N 256.346 0.252 0 50 CCAA COc1ncc(CN(C)[C@@H]2CCS(=O)(=O)C2)cn1 824852055 ONPWPRPFKJHXDL-SNVBAGLBSA-N 271.342 0.104 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCC2(CCC(=O)N2C)CC1 584894359 LDJQKLJXDXLGCJ-UHFFFAOYSA-N 277.328 0.340 0 50 CCAA COCCN1CCC(CN(C)C(=O)C2(C)COC2)CC1 584901670 BDRVWFQYGYBHTF-UHFFFAOYSA-N 284.400 0.840 0 50 CCAA CSCCN1CCN(C(=O)c2[nH]cnc2C)CC1 670449797 HTQYFDOICRNDFY-UHFFFAOYSA-N 268.386 0.839 0 50 CCAA CNC(=O)[C@@H]1CCN(C(=O)CN(C)Cc2ccccn2)C1 670456419 PMDPSMQTIYGECL-GFCCVEGCSA-N 290.367 0.108 0 50 CCAA COCCn1ccc(NC(=O)c2ccnc(O)c2)n1 1340626490 RADIHVYPZCDQHS-UHFFFAOYSA-N 262.269 0.882 0 50 CCAA COC[C@@H](C(N)=O)n1c(S)nc2ccccc2c1=O 133218129 BKYAYVYUZROCAN-VIFPVBQESA-N 279.321 0.358 0 50 CCAA O=C(NC[C@@H]1CCCO1)c1ccnc(C(=O)O)c1 168890938 LOIHGEOJRNLXQO-VIFPVBQESA-N 250.254 0.689 0 50 CCAA C[C@@H](C[C@H](O)c1ccccc1)NC(=O)[C@H]1C[C@@H](O)CN1 276690938 VJNKPJOTUYLLCD-ASEORRQLSA-N 278.352 0.338 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)N1CCCN(C)C(=O)C1 408474105 DZODYPGNOXOKRE-VXGBXAGGSA-N 268.357 0.882 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1CC[C@]2(C1)CC2(F)F 585005071 WMFIMCHDIIRZNE-CYBMUJFWSA-N 293.078 0.776 0 50 CCAA Cc1nc(N2CCN(C(=O)c3cc(C)sn3)CC2)n[nH]1 585129942 CMQZKXVDZYSOSS-UHFFFAOYSA-N 292.368 0.840 0 50 CCAA O=C(O)c1nc[nH]c1C(=O)N1CCC(F)(F)CC1 97446866 DJMDQJKNMNNSPB-UHFFFAOYSA-N 259.212 0.979 0 50 CCAA C[C@H](NC(=O)NC[C@H]1CCCO1)C(=O)NC[C@H]1CCCO1 1615046193 CMEPZZRDJMSQHO-QJPTWQEYSA-N 299.371 0.148 0 50 CCAA COCCn1cncc1CN1C[C@@H]2CC[C@H]1CNC2 1506409299 GNFJMFZXPNPEHS-OLZOCXBDSA-N 264.373 0.713 0 50 CCAA COc1cccc(CCNC(=O)[C@H]2C[C@H](O)CN2)c1 226311108 IXGGDFGFJWKTQU-WCQYABFASA-N 264.325 0.077 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCc2cnn(C)c2)CC[C@@H]1O 1704304337 DCEDZQLAWSPKJR-GRYCIOLGSA-N 267.329 0.212 0 50 CCAA COc1ccccc1S(=O)(=O)NCC[C@H]1CCNC1 110797634 VPEDGCJBPYGPTK-LLVKDONJSA-N 284.381 0.973 0 50 CCAA COc1ccccc1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO 330553100 XZBIZHAHTNGMFQ-UWVGGRQHSA-N 289.328 0.789 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cnc(C)nc1 643763239 XCPDTUZEAPEWQU-CYBMUJFWSA-N 264.329 0.251 0 50 CCAA Cc1nc(N)cc(N2CCOC3(CCN(C)CC3)C2)n1 1772819645 XXYMUCRODZETOT-UHFFFAOYSA-N 277.372 0.668 0 50 CCAA c1cnc(N2CCN(CC[C@H]3COCCO3)CC2)nc1 1775982931 VJSPHQCSWQZEAN-ZDUSSCGKSA-N 278.356 0.404 0 50 CCAA Cc1ncnc(C)c1C(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1875244446 KSINLMYTALSXCF-OLZOCXBDSA-N 290.367 0.496 0 50 CCAA C[C@@H]1CN(C(=O)NCc2nnnn2CC2CC2)CCCO1 548432316 TXPFJDCAVMILMG-SNVBAGLBSA-N 294.359 0.404 0 50 CCAA O[C@]1(Cn2ccnn2)CCN(CCc2ccccc2)C1 671492069 MRCMBCUKZLUSNX-OAHLLOKOSA-N 272.352 0.958 0 50 CCAA CCc1nc(CN2CCC[C@H](N[C@H]3CCOC3=O)C2)no1 253606516 QHCAUIFSOPLMNG-QWRGUYRKSA-N 294.355 0.502 0 50 CCAA C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)COC[C@H]1CCCO1 585125573 XJBRFDMMUFODNG-XQHKEYJVSA-N 298.383 0.683 0 50 CCAA Cc1cc(N2C[C@H]3COC[C@@H](C2)CN3C)nc(N(C)C)n1 1704308333 HVHHJICKKGRJBT-OLZOCXBDSA-N 291.399 0.618 0 50 CCAA Cc1nc(Cn2cnc3c(cnn3C3CC3)c2=O)no1 919355477 DECKLCDVWCBRTQ-UHFFFAOYSA-N 272.268 0.668 0 50 CCAA C=CC(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1 863946985 AYLVWLVKTABDRQ-JSGCOSHPSA-N 278.356 0.436 0 50 CCAA O[C@]1(CN2CCN(CCc3ccccc3)CC2)CCNC1 952876995 JZYQSLAGOGDLNQ-QGZVFWFLSA-N 289.423 0.571 0 50 CCAA CC1CC(CS(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)C1 952877930 WWKLCCBSSQEXKP-ILDUYXDCSA-N 287.385 0.072 0 50 CCAA C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CC=CC[C@@H]1C(=O)O 1875291614 GCZUXVGEODFKAY-MMWGEVLESA-N 269.297 0.326 0 50 CCAA Cc1cc2ccccc2n1CC(=O)N[C@H](CO)CC(=O)O 1875313933 YSPDUWYSTBUHRB-LBPRGKRZSA-N 290.319 0.902 0 50 CCAA CO[C@H]1CCCCN(CC(=O)Nc2ncccc2O)C1=O 888076377 BDOZHFBYRANZLT-NSHDSACASA-N 293.323 0.753 0 50 CCAA Cc1cn2ccc(C(=O)N[C@@]3(C)CCNC3=O)cc2n1 889027791 RWPPFOGTAVZZHW-AWEZNQCLSA-N 272.308 0.651 0 50 CCAA CCN(CC(=O)O)C(=O)C1CC2(C1)[C@H](C(=O)O)C2(F)F 1775998137 SVHAGGZEHLVKTF-WINXVSCGSA-N 291.250 0.666 0 50 CCAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H]1CN 237614639 CNZLAUQABNHXJC-NSHDSACASA-N 296.392 0.962 0 50 CCAA CN(CC(C)(C)S(C)(=O)=O)C(=O)[C@H](N)c1ccccc1 170070756 YIAQKJVIOBLYTI-GFCCVEGCSA-N 298.408 0.968 0 50 CCAA CCNC(=O)[C@@H](C)NC(=O)c1cnc(NCC)nc1 91254803 WVOJFHIGVFSTDZ-MRVPVSSYSA-N 265.317 0.163 0 50 CCAA O=C(O)C(=O)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 396747990 MADFAAIYQBUGGD-JTQLQIEISA-N 266.297 0.098 0 50 CCAA O=C(COc1cccc(F)c1)N1C[C@@H](O)[C@H](F)C1 952989839 DKGLSYRNYCKATQ-GHMZBOCLSA-N 257.236 0.746 0 50 CCAA C[C@@H]1C2C(N(C)C(=O)N1C)N(C)C(=O)N(C)[C@@H]2C 289182 IPCWYXAIQSTRTG-LGUIWLBCSA-N 254.334 0.700 0 50 CCAA biogenic O=C(NCCc1ccccc1Cl)[C@@H]1C[C@@H](O)CN1 299752679 VAEKOGWOLVSKKI-PWSUYJOCSA-N 268.744 0.722 0 50 CCAA O=C1C[C@H](COC(=O)[C@@]23CCCC(=O)N2CCC3)CCN1 2325807890 CMTJVKSHTDUUNI-ABAIWWIYSA-N 294.351 0.601 0 50 CCAA CN(C)c1ncccc1-c1n[nH]c(N2CCOCC2)n1 2356148139 IZFFDVVSOFDSNV-UHFFFAOYSA-N 274.328 0.769 0 50 CCAA Cc1ccc(S(=O)(=O)NN2CCOCC2)s1 2888887 IKEQTJVUVMSNSQ-UHFFFAOYSA-N 262.356 0.582 0 50 CCAA CN1CCc2ccc(C(=O)N3C[C@H]4C(=O)OC[C@H]4C3)nc21 2356152042 NVQMNUUTQDWIDT-GHMZBOCLSA-N 287.319 0.319 0 50 CCAA Cn1cc(NC(=O)c2nn(C)c(=O)c3ccccc23)cn1 170622243 OZUQYFIASZJTMH-UHFFFAOYSA-N 283.291 0.919 0 50 CCAA CC1=C(C(=O)NCCc2c(C)n[nH]c2C)[C@@H](C)NC(=O)N1 67822191 LZEDTNDREVNWQB-SECBINFHSA-N 291.355 0.661 0 50 CCAA CN1CCN(C(=O)Cn2ccnn2)[C@@H](c2ccccc2)C1 175116288 COKKYQQUAWLRDF-CQSZACIVSA-N 285.351 0.793 0 50 CCAA COc1ccc(CN2CCN(CCO)CC2)cc1O 23115164 BOQPCEIIHGBEOL-UHFFFAOYSA-N 266.341 0.511 0 50 CCAA CCN1CCCC[C@H]1C(=O)NC[C@H](O)c1nccn1C 39500767 OUUPUFBBIBINGK-RYUDHWBXSA-N 280.372 0.444 0 50 CCAA C[C@H]1CNCCN1C(=O)c1cn(Cc2cccs2)nn1 126006381 YYSBOZDTJCCXPI-JTQLQIEISA-N 291.380 0.822 0 50 CCAA CCOCC(C)(C)CNC(=O)[C@H]1C[C@H](O)CN1C(C)=O 366455617 SEWFTZDCIDZEDK-NWDGAFQWSA-N 286.372 0.147 0 50 CCAA C[C@H]1CCCC[C@@H]1C(=O)Nc1[nH]nnc1C(N)=O 333405366 ORXVSIKCWXKBOJ-BQBZGAKWSA-N 251.290 0.668 0 50 CCAA COCCN1CCCN([C@@H](C)c2nncn2C)CC1=O 367854342 ACCMBTVSZZYCMG-NSHDSACASA-N 281.360 0.057 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c(F)c2)CCN1 237567319 DNNTZMLYAWCOJH-JTQLQIEISA-N 289.314 0.840 0 50 CCAA CN(C)CC(C)(C)Cn1cnc2cn(C)nc2c1=O 72166183 JKOMGJYJRZWVHL-UHFFFAOYSA-N 263.345 0.718 0 50 CCAA CCc1cc(C(=O)NCCc2cnc[nH]2)cc(=O)[nH]1 214985786 WHHNGORJVMADJO-UHFFFAOYSA-N 260.297 0.633 0 50 CCAA O=S(=O)(NCc1ccccc1)N1CCC(O)CC1 71404236 HWPMSTQPPRYHFV-UHFFFAOYSA-N 270.354 0.478 0 50 CCAA CC(C)Oc1ccc(C(=O)N2CCOC[C@H]2C(=O)O)cn1 262437677 FSKXOZXRMSOZFH-NSHDSACASA-N 294.307 0.794 0 50 CCAA CCOC(=O)[C@]1(C)[C@@H](N(C)C)C(C)(C)S1(=O)=O 45028142 HRHZNGNCDIBWTD-KWQFWETISA-N 263.359 0.445 0 50 CCAA CCCO[C@H]1CCCN(C(=O)Cc2nc(O)n[nH]2)C1 426613608 JETILMMEDVHQPJ-VIFPVBQESA-N 268.317 0.470 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)c1cncc(=O)[nH]1 426377949 KDZNXZSVQJDNPS-SECBINFHSA-N 261.285 0.175 0 50 CCAA NC(=O)C1CCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 426431133 TVSDONZBTODBJU-JTQLQIEISA-N 291.355 0.264 0 50 CCAA C[C@@H](C(=O)NCc1cccc(-c2nn[nH]n2)c1)n1cccn1 426361356 SHZNGZWLKXBCML-JTQLQIEISA-N 297.322 0.941 0 50 CCAA CC(C)n1cnnc1[C@H](C)NC(=O)CNC(=O)N(C)C 221154414 KBJAYSRWMCEDEN-VIFPVBQESA-N 282.348 0.307 0 50 CCAA CSCC[C@@H](O)C(=O)NCCn1c(C)cc(C)nc1=O 221298685 IZWQALNKYBADRR-LLVKDONJSA-N 299.396 0.090 0 50 CCAA CN(C)CCN1C[C@@H](C(=O)NCc2nccs2)CC1=O 95386090 JMBUEPMIGIFOLX-JTQLQIEISA-N 296.396 0.169 0 50 CCAA CCN1CCCC[C@@H]1C(=O)NCCc1c[nH]cn1 97610267 SZDZKMIJISFIFR-GFCCVEGCSA-N 250.346 0.943 0 50 CCAA c1nnnn1CCCN1CCC(N2CCCC2)CC1 243902104 BGBWRUKGYMPLJF-UHFFFAOYSA-N 264.377 0.623 0 50 CCAA Cc1cnccc1NC(=O)N[C@]1(CO)CCOC1 183446340 XAIATRILOMULRK-LBPRGKRZSA-N 251.286 0.663 0 50 CCAA NC(=O)c1cccnc1NCCN1CCC(CO)CC1 534660423 LRRVCLLMQJJEAZ-UHFFFAOYSA-N 278.356 0.297 0 50 CCAA O=C(O)CN1CCn2nc(CNc3ncccn3)cc2C1 299779162 UKOBBVMSAFSQCC-UHFFFAOYSA-N 288.311 0.185 0 50 CCAA O[C@H]1COC[C@@H]1NC1CCN(Cc2ccco2)CC1 584891521 KJTQVIISQYGRDQ-KBPBESRZSA-N 266.341 0.593 0 50 CCAA O=C(NCCN1CCCC[C@H]1CO)c1ncccc1O 828711010 YBPWKYOLWWMFPM-NSHDSACASA-N 279.340 0.364 0 50 CCAA CCc1nnc(CN(C)C(=O)c2c(C)ncn2C)o1 584900993 JVJAXTUJXFRNRG-UHFFFAOYSA-N 263.301 0.946 0 50 CCAA COCCN1CC[C@@H](CN(C)C(=O)c2[nH]nnc2C)C1 584902982 CREAHWPKGJETFB-NSHDSACASA-N 281.360 0.153 0 50 CCAA CCCn1cnnc1[C@H](C)NC(=O)CN1CCOCC1 584895755 BQYXTCPODKHRIX-NSHDSACASA-N 281.360 0.198 0 50 CCAA Cn1cc(CCCn2cnc3c(cnn3C)c2=O)cn1 670445958 AVNQUAGQPMYBPB-UHFFFAOYSA-N 272.312 0.496 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N(C)Cc1nncn1C 670456750 ZJHOTTSUCNEMNS-UHFFFAOYSA-N 285.329 0.241 0 50 CCAA CSCC(=O)NCC1(N(C)C)CCN(C)CC1 670460094 YZABRCZNXHWFCK-UHFFFAOYSA-N 259.419 0.492 0 50 CCAA O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1ccncc1F 685942892 XUVQVYHLGQCQEI-NWDGAFQWSA-N 292.270 0.520 0 50 CCAA Cc1cc2c(N3CC(NC(=O)[C@@H]4C[C@H]4C)C3)nccn2n1 1363939529 GPPICJSPWKJARX-BXKDBHETSA-N 285.351 0.999 0 50 CCAA Cc1nc(N)nc(C)c1CC(=O)N[C@H]1C[C@H]2OCC[C@@H]12 1565513825 OHGUYIYUDLQFCB-ZMLRMANQSA-N 276.340 0.512 0 50 CCAA Cc1cc(C)nc(CN(C)C(=O)[C@@H](N)Cc2cnc[nH]2)c1 952972320 UJLFCHQBPYSQQG-AWEZNQCLSA-N 287.367 0.950 0 50 CCAA C=CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 269468048 TYRSXFIZKGVERZ-UHFFFAOYSA-N 288.351 0.423 0 50 CCAA C[C@H](NC(=O)C1(O)CCC1)c1cccc(S(N)(=O)=O)c1 276706769 XHRNIMFCPGAOAW-VIFPVBQESA-N 298.364 0.426 0 50 CCAA O=C1[C@@H]2CNC[C@@H]2C(=O)N1CCN1CCc2ccccc2C1 169792113 VPJUCHZVXLPJTB-GASCZTMLSA-N 299.374 0.249 0 50 CCAA C[C@@H]1O[C@H](C)CN(c2ncc(S(N)(=O)=O)s2)[C@H]1C 408441839 GRCLCJNRUZRASG-CSMHCCOUSA-N 291.398 0.793 0 50 CCAA CC(C)(C)OC(=O)N1CC2(CC(=O)c3ncnn32)C1 642883017 KRZFSAZYFATKMS-UHFFFAOYSA-N 264.285 0.811 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)[C@@H](OC)C1CC1 668294030 OTMZCJQZNQMVTH-GXFFZTMASA-N 271.313 0.504 0 50 CCAA O=C(Cc1ccccc1O)N1CCOC2(CCNCC2)C1 1857685446 JRYMGBRNTWXFNY-UHFFFAOYSA-N 290.363 0.916 0 50 CCAA Nn1c(SCC(=O)O)nnc1-c1ccccc1 100112488 MXKJHOYDQUYSEW-UHFFFAOYSA-N 250.283 0.836 0 50 CCAA in-vitro NC(=O)[C@@H]1CCCCN1C(=O)COC1CCCC1 407993681 QZUSRWJTUXBRIT-NSHDSACASA-N 254.330 0.812 0 50 CCAA CN(C)S(=O)(=O)N1CCN(c2ccccc2F)CC1 1069801 ZNPZCERTBDAKIN-UHFFFAOYSA-N 287.360 0.754 0 50 CCAA Cc1ncc(C(=O)N2CC[C@@](CF)(C(=O)O)C2)c(C)n1 1875292075 VVFFIRGXRHPNRS-ZDUSSCGKSA-N 281.287 0.980 0 50 CCAA CN1CCC2(CC1)CN(C(=O)[C@H]1[C@@H]3CC[C@H]1CN3)CCO2 1772819422 LFNHEUDLRCXPQX-MELADBBJSA-N 293.411 0.308 0 50 CCAA COc1cc(S(=O)(=O)NCCO)ccc1Cl 11566254 SSQGVXCEDPZKBV-UHFFFAOYSA-N 265.718 0.619 0 50 CCAA CC(C)C[C@@H]1NC(=O)[C@H]2CN(CC3CC3)CCN2C1=O 14746260 BWGLXIMVJYDDEK-QWHCGFSZSA-N 279.384 0.454 0 50 CCAA Cc1ccc(CN2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 19881915 QXLMIQHNNNGYBE-AWEZNQCLSA-N 288.347 0.955 0 50 CCAA CCCn1cc(C(=O)N2CC3(CN(C)C3)C2)c(C)n1 1857708444 USGNYYHWZASJME-UHFFFAOYSA-N 262.357 0.989 0 50 CCAA NC(=O)C1(NC(=O)[C@H]2CCn3nccc3C2)CCCC1 1857717489 VTTPCTAWCKRMTC-JTQLQIEISA-N 276.340 0.360 0 50 CCAA COc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)ccc1F 127528150 IECGROVWSPOMND-LLVKDONJSA-N 283.255 0.760 0 50 CCAA COC(=O)c1ccc(CNC(=O)[C@@]2(F)CCNC2)s1 831742043 SZVBLJFRHLENCC-GFCCVEGCSA-N 286.328 0.853 0 50 CCAA C=CS(=O)(=O)CCC(=O)Nc1ccc2nc(C)nn2c1 952881265 QSEMPXLDRIULHQ-UHFFFAOYSA-N 294.336 0.925 0 50 CCAA COCC(C)(C)C(=O)NC1(C)CN(C(=O)OC)C1 952964513 SQMCLQOXPPXRHP-UHFFFAOYSA-N 258.318 0.616 0 50 CCAA O=C(N=c1[nH]ncs1)N1CC(c2ccccn2)C1 1875281947 GMEZGBUPNYJBFZ-UHFFFAOYSA-N 261.310 0.986 0 50 CCAA O=S(=O)(Nc1cnn([C@@H]2CC2(F)F)c1)c1cn[nH]c1 1875280905 GACDJQFVDUGEDW-MRVPVSSYSA-N 289.267 0.987 0 50 CCAA O=C(N[C@H]1CCC[C@@H](C(=O)O)C1)[C@H]1CCc2nn[nH]c2C1 1875271209 CBWIQVNZKFJGJM-AEJSXWLSSA-N 292.339 0.669 0 50 CCAA COC(=O)C(=O)CC(=O)c1c(C)[nH]c(C(=O)OC)c1C 1875391074 WBNRQRMQLHHJAI-UHFFFAOYSA-N 281.264 0.733 0 50 CCAA C=CC(=O)N1CCC(C(=O)NC[C@](C)(O)C(C)C)CC1 1875370289 JGOUPVTVEFOBKW-HNNXBMFYSA-N 282.384 0.934 0 50 CCAA O=C(C1OCCO1)N1CCO[C@H](c2noc(C3CC3)n2)C1 1875311712 KSHWEIJPMBPNGF-VIFPVBQESA-N 295.295 0.220 0 50 CCAA O=C1CC[C@@H](CNC(=O)c2cc(O)nc(C3CC3)n2)O1 1875333003 USZGIUMCYBVITO-QMMMGPOBSA-N 277.280 0.495 0 50 CCAA CNC(=O)C[C@@H]1CN(c2cc(=N)[nH]cc2Cl)C[C@H]1O 1875398349 MFKABOPLQSSCDL-GMSGAONNSA-N 284.747 0.081 0 50 CCAA NC(=O)c1cc(N2CCCC[C@H]2C(=O)O)ncn1 1875349763 LUXVHNAXTCTGQB-QMMMGPOBSA-N 250.258 0.019 0 50 CCAA CN1C[C@@H]2CCN(C(=O)NCc3cncn3C)[C@H]2C1 894917072 ZBMKYKFQSVXFBH-JQWIXIFHSA-N 263.345 0.266 0 50 CCAA COCCn1cc(NC(=O)[C@H]2C[C@H](F)CN2)cn1 188381122 QBVIMKUVURFOEC-WCBMZHEXSA-N 256.281 0.168 0 50 CCAA CS(=O)(=O)c1ccc(-c2n[nH]c(CO)n2)cc1 426371960 FYALYHDGHMXURT-UHFFFAOYSA-N 253.283 0.368 0 50 CCAA O=C(NC[C@]1(C(=O)O)CCCOC1)[C@H]1CCOC1 630338638 ZMGZGDRTNXMPLV-JOYOIKCWSA-N 257.286 0.021 0 50 CCAA O=C(O)c1ccc(S(=O)(=O)N(CCO)CC2CC2)cc1 688369910 MZAJCFIHOGKOGX-UHFFFAOYSA-N 299.348 0.778 0 50 CCAA Cn1ncnc1Cn1nc(O)c(Cl)c(Cl)c1=O 918256510 VYIQSHDTZQKMJU-UHFFFAOYSA-N 276.083 0.433 0 50 CCAA COc1cccc(OCCOCCNCCO)c1 2980656 SHWCESBJWIXBRB-UHFFFAOYSA-N 255.314 0.673 0 50 CCAA COC(=O)CSCCNC(=O)[C@@H]1CCCCC[C@H]1N 225437169 JJDAFLGYHMPRHW-GHMZBOCLSA-N 288.413 0.916 0 50 CCAA Cn1c(=O)c(C(=O)NCCCO)c(O)c2ccccc21 100270309 RLYJBKXAZRFFAK-UHFFFAOYSA-N 276.292 0.356 0 50 CCAA CC[C@]1(C)NC(=O)N(CCCNC(=O)NC2CC2)C1=O 112429842 FFLNFJRTYYKOLE-ZDUSSCGKSA-N 282.344 0.559 0 50 CCAA CO[C@@H](CNC(=O)N1CCc2ccccc21)C(=O)O 227308412 QRCVIYBKTZAOEH-NSHDSACASA-N 264.281 0.858 0 50 CCAA C[C@H]1CN(CNC(=O)[C@@H](O)c2ccccc2)C[C@@H](C)O1 102188842 NRXIDDDXFLVSRX-SCRDCRAPSA-N 278.352 0.903 0 50 CCAA Cc1cc(C(=O)NC[C@]2(O)CCO[C@H]2C)ccn1 228689411 JMULSNVAQOKPSY-GXFFZTMASA-N 250.298 0.660 0 50 CCAA Cc1ccoc1C(=O)N1CCN(CCn2cncn2)CC1 67673397 BIYZNFZUVQBLQT-UHFFFAOYSA-N 289.339 0.638 0 50 CCAA COc1nccnc1N1CCC2(CC1)CC(=O)N(C)C2 77470416 DHGMJKFVVRCIRK-UHFFFAOYSA-N 276.340 0.934 0 50 CCAA O=C1C=CC(=O)N1c1ccc(N2C(=O)C=CC2=O)cc1 156949 AQGZJQNZNONGKY-UHFFFAOYSA-N 268.228 0.545 0 50 CCAA biogenic,in-vivo CO[C@@]1(C(=O)N2CC[C@@H](c3nccn3C)C2)CCOC1 329944790 FLNIOSRPCBKFEB-RISCZKNCSA-N 279.340 0.542 0 50 CCAA O=C(CCCn1cnnn1)N1C[C@H]2CC=CC[C@H]2C1 71768021 RVTDCORXJPMHHW-TXEJJXNPSA-N 261.329 0.878 0 50 CCAA CCOc1cccc(C(=O)N[C@@H]2CCC(=O)NC2=O)c1 152115163 JGZNPMVTNMXKOB-LLVKDONJSA-N 276.292 0.620 0 50 CCAA O=C1C[C@]2(CCN(C(=O)c3n[nH]c4c3CCCC4)C2)CN1 376433421 KOKBFTDBCSDHHS-OAHLLOKOSA-N 288.351 0.641 0 50 CCAA CC(C)c1cncnc1N1CCN[C@@H](C(=O)O)C1 71747039 VSWCWXMXALGNFU-SNVBAGLBSA-N 250.302 0.463 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]1OC 333965173 PSGJGMSSTXJASV-HKLHZYFVSA-N 269.341 0.863 0 50 CCAA CC(C)(C)c1nc(CN2CC[C@H](CO)[C@H](O)C2)no1 72151330 KICNYSCFRYEOQT-NXEZZACHSA-N 269.345 0.542 0 50 CCAA CC1(C)CN(C(=O)CN2CCOCC2=O)[C@@H]2CCC[C@@H]21 334815705 KAUMVIMKWQFEDT-NWDGAFQWSA-N 280.368 0.882 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1cnn2cc(C)cnc12 71639617 PUTPJIFEPVZBFD-RYUDHWBXSA-N 290.323 0.571 0 50 CCAA CSc1ncc(C(=O)NCc2noc(C)n2)cn1 220102280 PCTSFYCHAMVFIN-UHFFFAOYSA-N 265.298 0.820 0 50 CCAA Cc1noc([C@H]2CN(Cc3cc[nH]n3)CCN2C)n1 285455793 JUYOZHQZAVTVFB-LLVKDONJSA-N 262.317 0.590 0 50 CCAA CCS(=O)(=O)N1CC(=O)Nc2c(F)cccc21 242302228 YQPHPARLBFDZGM-UHFFFAOYSA-N 258.274 0.934 0 50 CCAA CSCCCN=c1cc([C@@H]2CCOC2)nc(N)[nH]1 426470882 OYBXNFGLTYALNE-SECBINFHSA-N 268.386 1.150 0 50 CCAA O=C1CCCN1CC1CCN(C(=O)c2cnccn2)CC1 82114638 CUKOSBRBVLAKRC-UHFFFAOYSA-N 288.351 0.951 0 50 CCAA CCc1noc([C@@H](C)NC(=O)c2cnc(OC)nc2)n1 426382869 CZIKITWHCJUWRP-SSDOTTSWSA-N 277.284 0.922 0 50 CCAA CCc1nnc(CN(CC)C(=O)CN2C(=O)CC[C@@H]2C)o1 95501795 JBEOLYGHVLDBDH-JTQLQIEISA-N 294.355 0.991 0 50 CCAA OCCO[C@H]1C[C@@H](O)C12CCN(c1ccncc1)CC2 91746270 QINXXIPGYHPBOY-KGLIPLIRSA-N 278.352 0.810 0 50 CCAA Cc1n[nH]c(C)c1CCCN(C)Cc1nc(C(N)=O)no1 244633456 GDIHCIZEEYVGOD-UHFFFAOYSA-N 292.343 0.573 0 50 CCAA CC[C@@H](NC(=O)Cn1ccccc1=O)[C@H]1C[C@H](O)C1 243901002 AYHZHWOKKXCTLJ-IJLUTSLNSA-N 264.325 0.514 0 50 CCAA O=C(NCc1nc[nH]n1)[C@H]1COc2cc(F)ccc2C1 624585333 UIHGPZRBSVTJKX-SECBINFHSA-N 276.271 0.811 0 50 CCAA COCC1CCN(C(=O)N[C@H](C)c2ncnn2C)CC1 353121480 DVMZNUAGEBMNGP-SNVBAGLBSA-N 281.360 0.944 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)CCN1CCCC1=O 534654430 RBFDYSPJEHFMEV-NSHDSACASA-N 293.371 0.878 0 50 CCAA CCCSCC(=O)NCc1nc(COC)no1 534635562 NRLQUSIOMQGSCE-UHFFFAOYSA-N 259.331 0.975 0 50 CCAA O=C(CCc1n[nH]c2c1CCCC2)NCc1nc(O)n[nH]1 828031961 ASIHOQQWLYHXTQ-UHFFFAOYSA-N 290.327 0.361 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)CC(C)C)CC1 120080 MGLJJZGMTHSNIG-UHFFFAOYSA-N 262.375 0.526 0 50 CCAA CN(Cc1ncon1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 670446621 LNGWDUOMRJKGSH-LBPRGKRZSA-N 294.355 0.671 0 50 CCAA COc1ccc(C(=O)N[C@]2(CO)CCOC2)c(C)c1 273359645 CICXEBHUSQLGFJ-AWEZNQCLSA-N 265.309 0.885 0 50 CCAA Cc1cnc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)cn1 275344863 LTFAPJIUDCRFAZ-JQWIXIFHSA-N 287.323 0.779 0 50 CCAA CC[C@@]1(CO)CCCN(Cc2nc(C(N)=O)no2)C1 91411654 QIOXFAORLKIAMM-GFCCVEGCSA-N 268.317 0.153 0 50 CCAA Cc1cccc(C(=O)NC2CCS(=O)(=O)CC2)n1 407995583 IHXWXMLVERZHIE-UHFFFAOYSA-N 268.338 0.697 0 50 CCAA Cc1cccn(CC(=O)N2CCC(=O)[C@H](C)C2)c1=O 188291683 KPQSOMDREBPEFA-LLVKDONJSA-N 262.309 0.594 0 50 CCAA CC(=O)C1(C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)CC1 556557277 FMGIMVZHPNVCBJ-GFCCVEGCSA-N 277.324 0.689 0 50 CCAA Cc1nc(CC(=O)N2CCOC[C@@H]2C(=O)O)c(C)s1 649421379 NATMIQMDENLESV-SNVBAGLBSA-N 284.337 0.614 0 50 CCAA CN(CCCOc1ccc(F)cc1)C(=O)[C@H]1C[C@@H](O)CN1 195543244 YUYSCSKDBPTRIX-TZMCWYRMSA-N 296.342 0.776 0 50 CCAA CC(C)n1cc(C2=CCCN(S(N)(=O)=O)CC2)nn1 572334487 GTWASHOOJHIZFW-UHFFFAOYSA-N 285.373 0.542 0 50 CCAA CCCCNC(=O)N1CCCC[C@@H]1CS(N)(=O)=O 585135206 OSQVMXVGXCHJGE-SNVBAGLBSA-N 277.390 0.639 0 50 CCAA N[C@@]1(Cc2nc(-c3nc[nH]n3)no2)CCSC1 1875279650 OFCCQJMEQGUSNK-SECBINFHSA-N 252.303 0.232 0 50 CCAA CC(=O)NCCC(=O)Nc1cnn2c1NCCC2 1506426400 OJLMSDPWDRWFGU-UHFFFAOYSA-N 251.290 0.163 0 50 CCAA CCN1CCN(CCNS(=O)(=O)C2(C)CC2)CC1 408226045 LKLFHMOIHXSSBD-UHFFFAOYSA-N 275.418 0.096 0 50 CCAA C[C@@H](CCNC(=O)c1cnc(C(N)=O)cn1)N1CCCC1 1772708300 FMLYUIKYOJVINH-JTQLQIEISA-N 291.355 0.180 0 50 CCAA O=C(Cn1nc2ccccc2n1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775982933 VKFFXLUXVIIRBW-ZSBIGDGJSA-N 286.335 0.661 0 50 CCAA CCC[C@@H](CC)NC(=O)c1cnc(C(N)=O)cn1 1772704846 QBRSAXQFDXDGOL-MRVPVSSYSA-N 250.302 0.884 0 50 CCAA CCc1c(C)nc(N)nc1N1CC[C@H](C(=O)O)C1 1772700907 JSIBTAKDQNVAQU-QMMMGPOBSA-N 250.302 0.841 0 50 CCAA O=C1CO[C@@]2(CCN(Cc3cnsc3)C2)CN1 1772818460 FPFJZBUAXHDDTD-NSHDSACASA-N 253.327 0.234 0 50 CCAA O=C(CSc1nncc(=O)[nH]1)NCc1ccco1 5626277 YTAUVXBOAPFCDU-UHFFFAOYSA-N 266.282 0.166 0 50 CCAA Cc1nnc2n1C[C@@H](CNC(=O)c1ccn3nccc3c1)C2 1857717388 NLACZBWEHSLEMC-LLVKDONJSA-N 296.334 0.837 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)CCc1cnccn1)C2 1857735246 NYQCPGIAOAFYJK-OCCSQVGLSA-N 290.367 0.198 0 50 CCAA CCc1ccnc(NC(=O)Cn2cc(C)c(O)nc2=O)c1 1875250718 ANXWQAJYEZPYFZ-UHFFFAOYSA-N 288.307 0.853 0 50 CCAA O=C(c1ccoc1)N1CCC[C@](O)(Cn2ccnn2)C1 331414598 SFONAEPEELANHO-CYBMUJFWSA-N 276.296 0.538 0 50 CCAA CO[C@@H]1COC[C@H]1n1cc(-c2nc(C3(C)CC3)no2)nn1 333243009 QLYOSFOYZSTJNE-NXEZZACHSA-N 291.311 0.966 0 50 CCAA CC(C)CN1CCO[C@@H](CNC(=O)c2ccn(C)n2)C1 589443786 NJOXVFMKQLBFIG-LBPRGKRZSA-N 280.372 0.507 0 50 CCAA C[C@@H](OC(=O)c1nc[nH]c2nccc1-2)c1nncn1C 1118479766 UYCTWTGAIFVYBN-SSDOTTSWSA-N 272.268 0.956 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3(CO)CC3)n[nH]c21 1875394116 WDZAMJRLRIEZNX-BDAKNGLRSA-N 279.340 0.934 0 50 CCAA Cc1cc(C(=O)NC2(c3ncccn3)CCOCC2)n[nH]1 886937626 LOXFCKAIWONQMV-UHFFFAOYSA-N 287.323 0.944 0 50 CCAA Cc1c(S(=O)(=O)NCC23CC(CN2C)C3)cnn1C 1775989896 UGVYAZBCEUIKBZ-UHFFFAOYSA-N 284.385 0.101 0 50 CCAA CCc1nn(C)cc1C(=O)N1CCC[C@@](F)(CO)C1 335726235 AZEMNUMZFGSKPH-ZDUSSCGKSA-N 269.320 0.919 0 50 CCAA CCc1ccc(S(=O)(=O)N2CC[C@@H]2CO)cc1C(=O)O 907121992 ZRKLYBHAIJLXDG-SNVBAGLBSA-N 299.348 0.703 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)c1sc(C)nc1C 1614715756 NXEXKUZPDHFPJV-DTWKUNHWSA-N 255.343 0.477 0 50 CCAA O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 122596 JUSWZYFYLXTMLJ-JTQLQIEISA-N 255.295 0.924 0 50 CCAA biogenic,in-vitro N=c1ccc(-c2cnc3c(N4CC[C@@H](O)C4)nccn23)c[nH]1 2356143825 AEDMUHHSRQOKQB-LLVKDONJSA-N 296.334 0.775 0 50 CCAA CN1C[C@H]2C[C@@H](N(C)C(=O)c3ccnn3C)C[C@H]2CC1=O 2356146630 NULOUQBDKHOGFB-TUAOUCFPSA-N 290.367 0.749 0 50 CCAA Cc1cccn2ncc(C(=O)N3C[C@H]4C(=O)OC[C@H]4C3)c12 2356151800 ZXJAMEKMUWAEQD-ZYHUDNBSSA-N 285.303 0.888 0 50 CCAA COC(=O)CN[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 4892000 OXEAIHDMZQISBQ-LLVKDONJSA-N 292.291 0.090 0 50 CCAA CCOC(=O)CC(=O)Nc1ccccc1S(N)(=O)=O 113725774 YIJMSVJAKCSSHU-UHFFFAOYSA-N 286.309 0.226 0 50 CCAA C[C@@H](O)[C@@H]1NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1=O 28654882 FEYGPPGRDJJIHD-ULOPGQLASA-N 299.330 0.300 0 50 CCAA C[C@@H]1CCC[C@@H]1OC[C@@H](O)CN1CCN(C)CC1 22917795 IPEVRAKFVVFBAI-RDBSUJKOSA-N 256.390 0.800 0 50 CCAA CC[C@@H]1CN(CC(N)=O)CCC(=O)N1Cc1ccccc1 71776315 YTGBBLYMTVJCLN-CQSZACIVSA-N 289.379 0.985 0 50 CCAA CSCC[C@@H](O)C(=O)NCc1cnc2cnccn12 216127769 YISXZWKUOPACLX-SNVBAGLBSA-N 280.353 0.460 0 50 CCAA O=C(CC1(n2cccc2)CCOCC1)Nc1nn[nH]n1 218281183 MXIMPAANYJKWQX-UHFFFAOYSA-N 276.300 0.536 0 50 CCAA COC[C@@H](O)CN1C(=O)N(C)C2(CCCCC2)C1=O 367763783 QFPXBSUTAKVXJI-JTQLQIEISA-N 270.329 0.591 0 50 CCAA CCC[C@](C)(O)C(=O)N1CCC(n2cncn2)CC1 372072579 PNJSHANAMUHWJT-ZDUSSCGKSA-N 266.345 0.993 0 50 CCAA COC[C@@H]1CCCCN(C(=O)C2CN(C(C)=O)C2)C1 373763947 YQASTDNWUGKQNE-GFCCVEGCSA-N 268.357 0.740 0 50 CCAA C[C@H]1COCC[C@@H]1CNc1ccc(C(N)=O)nn1 286273367 GKBVAVSHXBTWTH-DTWKUNHWSA-N 250.302 0.660 0 50 CCAA CC(=O)N[C@@H](CC(C)C)C(=O)NCCc1csc(N)n1 223474703 AEQDJCOBTMXKLI-NSHDSACASA-N 298.412 0.935 0 50 CCAA CNC(=O)c1ccc(NC(=O)N(C)CCN)c(OC)c1 528697005 JBKDYKXOAWVVRV-UHFFFAOYSA-N 280.328 0.477 0 50 CCAA CNC(=O)Cn1cnc(NC(=O)[C@H](C)C2CC2)n1 178517878 BQHMRTPEDHWAQI-SSDOTTSWSA-N 251.290 0.009 0 50 CCAA O=C(NCCn1cnnc1)[C@H]1COc2ccccc2C1 426503061 DXIQQGSGJROAGB-GFCCVEGCSA-N 272.308 0.646 0 50 CCAA CCc1ccc(C(=O)NC[C@H]2CN(C(C)=O)CCO2)[nH]1 426705881 TXLNOKOHNOPGTM-LBPRGKRZSA-N 279.340 0.554 0 50 CCAA Cc1nn(CC(=O)N(C)[C@H]2CCNC2)c(C)c1Cl 179102149 JKEOWDFVQHTRQC-JTQLQIEISA-N 270.764 0.974 0 50 CCAA CCNC(=O)N1CCC(Nc2ncncc2C(=O)O)CC1 95357096 CECNYHZGEDARMB-UHFFFAOYSA-N 293.327 0.781 0 50 CCAA CN1CCCC[C@@H]1CCC(=O)NCCc1n[nH]c(=O)n1C 95356742 KKWNBYKXAGDUDF-LLVKDONJSA-N 295.387 0.032 0 50 CCAA CCn1nccc1S(=O)(=O)N1CCC[C@H](CN)C1 534590701 WKYGMWICLAQAJP-SNVBAGLBSA-N 272.374 0.262 0 50 CCAA CCc1c(C)nc(C)nc1NC[C@@H](O)CN(C)C 534660494 AAPBLOZFHPIVEF-LLVKDONJSA-N 252.362 0.990 0 50 CCAA CCN1C[C@H](NC(=O)Nc2cn(C)nc2C)CC1=O 299781394 DLDHSPBOHUPUCD-SECBINFHSA-N 265.317 0.471 0 50 CCAA CN1CCCC[C@@H]1CCC(=O)NCCc1cnn[nH]1 584892281 PNCICAMWHJWDOI-GFCCVEGCSA-N 265.361 0.728 0 50 CCAA Cc1cccc(C2(NC(=O)NC[C@@H](O)CO)CC2)c1 584894057 DOOAOZKHRACYLG-GFCCVEGCSA-N 264.325 0.637 0 50 CCAA C[C@H](CN1CCN(C)CC1)NCCc1noc(C2CC2)n1 584903279 WTBUIASCARTMPK-GFCCVEGCSA-N 293.415 0.715 0 50 CCAA C[C@H]1CC[C@@H](C)N1C(=O)CC[C@@H]1NC(=O)NC1=O 1116258333 FWOFTIFYJFPEEW-YIZRAAEISA-N 253.302 0.374 0 50 CCAA O=C(O)CN(C(=O)C12CC(C1)C2)C1CCOCC1 630129190 IJURBVOQWSKJRM-UHFFFAOYSA-N 253.298 0.879 0 50 CCAA COC[C@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H](C)O1 276039087 QSFKRFIOWKETGC-WDEREUQCSA-N 280.324 0.261 0 50 CCAA CCN(C)C(=O)[C@H](C)NC(=O)N(CCOC)CC(F)F 187891305 DVIKRXQZODAUII-VIFPVBQESA-N 295.330 0.776 0 50 CCAA Cc1nc2ccc(NC(=O)[C@H](N)CO)cc2s1 169811929 VHIWSZWMDKXNLV-MRVPVSSYSA-N 251.311 0.863 0 50 CCAA CN1CC[C@@H](C(=O)N(CC(C)(C)O)C2CC2)CC1=O 408376104 RCAHRPYZZFUDHQ-SNVBAGLBSA-N 268.357 0.617 0 50 CCAA CN1CCN(S(C)(=O)=O)[C@@H](c2ccccc2)C1 219085505 AYCAEQQHCIJEFU-GFCCVEGCSA-N 254.355 0.935 0 50 CCAA Cc1n[nH]cc1CN1CCS(=O)(=O)CC[C@@H]1C 192053497 WPQOUMVWUVKEFA-VIFPVBQESA-N 257.359 0.727 0 50 CCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)c1ccc2c(c1)OCCO2 659171856 VZPKPMYEPCHZAL-JOYOIKCWSA-N 293.275 0.430 0 50 CCAA CCc1nn(C)cc1CN1C[C@@H](OC)C[C@H]1CO 583617561 VWPSXLFVPOXDSH-RYUDHWBXSA-N 253.346 0.564 0 50 CCAA COCCCOC(=O)Cc1ccc(C(N)=O)cc1 585079405 HDBGKOIWPUFXDI-UHFFFAOYSA-N 251.282 0.908 0 50 CCAA CSC[C@H](C)C(=O)N1CCN(c2nnc(C)n2C)CC1 585130654 XSQUJRGNKKEHGC-JTQLQIEISA-N 297.428 0.771 0 50 CCAA C=CC(=O)NCCC(=O)N1CC[S@](=O)C(C)(C)CC1 1624190437 QYDFCFBMIUCNOI-IBGZPJMESA-N 286.397 0.438 0 50 CCAA C[C@H]1c2cccn2CCN1C(=O)c1cnc2nc[nH]n2c1=O 1506408869 MYMBLONLTJJPFN-VIFPVBQESA-N 298.306 0.436 0 50 CCAA CC1(C)CC(CC(=O)NC[C@@]2(O)CCNC2)CC(C)(C)N1 1506403865 ZRKIBTZJFNDYGD-MRXNPFEDSA-N 297.443 0.774 0 50 CCAA Cc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)no1 225722276 JOKSNBLJCNUNLB-ZXZZCXTASA-N 264.237 0.576 0 50 CCAA O=C(c1cnc(O)c(Cl)c1)N(CCO)Cc1ncc[nH]1 1704304966 PQOCWRJXSMOCOY-UHFFFAOYSA-N 296.714 0.798 0 50 CCAA Cc1cc(C[C@@H]2CN(c3ncnc4[nH]cnc34)C[C@@H]2O)n[nH]1 1704325005 BNQCKESJVJKINT-KOLCDFICSA-N 299.338 0.424 0 50 CCAA CC(=O)Cn1nc2n(c1=O)C(=O)N(c1cccc(C)c1)C2 1547200998 GOWCRBHRQLADPZ-UHFFFAOYSA-N 286.291 0.931 0 50 CCAA O=C1CCCN1CC(=O)N1CCOCC2(CC2)C1 336535205 AABJXWJXJQMXRR-UHFFFAOYSA-N 252.314 0.248 0 50 CCAA CC(C)N1C[C@H](CN2CCN(CCO)CC2)CCC1=O 1772813793 UPPDPKJUOYJFBB-AWEZNQCLSA-N 283.416 0.243 0 50 CCAA O=C(N[C@@H]1CCOC1)c1cn(Cc2ccccc2F)nn1 12030457 CCAOMRNYBUVRDR-LLVKDONJSA-N 290.298 0.984 0 50 CCAA CC(C)N(C)Cc1nnnn1CC(=O)NCC(F)(F)F 12745588 WOGWWTPCZPCTIH-UHFFFAOYSA-N 294.281 0.192 0 50 CCAA c1ccc([SnH4+2]c2ccccc2)cc1 169747073 REDQKWLFDLRJJO-UHFFFAOYSA-N 276.955 0.271 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@@H]2O)on1 1875241284 SUAKHSPUHQZPQB-MFKMUULPSA-N 290.323 0.311 0 50 CCAA COc1cnc(NS(=O)(=O)c2cccnc2)nc1 225632955 MAMZKAUPWRSTFO-UHFFFAOYSA-N 266.282 0.681 0 50 CCAA N[C@H]1CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 132557274 PJPGABDAXKTYRM-NSHDSACASA-N 288.351 0.739 0 50 CCAA COCCN1CCN(Cc2nnc3n2CCCC3)C[C@H]1C 368682774 BAUVYFZNMUYVFG-CYBMUJFWSA-N 293.415 0.767 0 50 CCAA Cn1cnc(CNC(=O)CCc2ccccc2C(=O)O)n1 911405469 BAKQMOXPKPCQTD-UHFFFAOYSA-N 288.307 0.762 0 50 CCAA O=C(Nc1cnsn1)N[C@@H]1CCN(CC(F)F)C1 931394244 VIEVIMMMBRVKEY-ZCFIWIBFSA-N 277.300 0.999 0 50 CCAA CS(=O)(=O)CCNC(=O)[C@H]1CCc2ccccc2C1 844344082 QOMQQYUJMMXMGJ-ZDUSSCGKSA-N 281.377 0.952 0 50 CCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cc[nH]c1)C2 952848347 LDHKSNAMXNIPGZ-RISCZKNCSA-N 277.324 0.239 0 50 CCAA Cc1cc(O)c(COC(=O)CC[C@@H]2CCC(=O)N2)nn1 1875332608 AQIAOMHSKCSXDV-VIFPVBQESA-N 279.296 0.593 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3Cc4nccn4C3)[C@@H]2C1 1875304521 MJRGZJZUCAMXHX-LZQZFOIKSA-N 289.335 0.671 0 50 CCAA CC(=O)NC[C@](O)(c1ncc(C)o1)C(F)(F)F 1875320761 JLYRAVRMBIZLKF-QMMMGPOBSA-N 252.192 0.869 0 50 CCAA Cc1ccnc2c(N3C[C@@H](O)[C@H](CC(N)=O)C3)ccnc12 1875398218 HLHKRGCYSLAHFS-ZYHUDNBSSA-N 286.335 0.611 0 50 CCAA CO[C@@H](CNC(=O)/C=C/CN(C)C)[C@@H]1CCOC1 1875377259 WOIZEOXVGFBSDS-RVAOTSRCSA-N 256.346 0.272 0 50 CCAA CN1CCO[C@@H](CNCc2cocn2)[C@@H]1c1ccnn1C 886095038 KPCCWXIXMRLULA-KBPBESRZSA-N 291.355 0.570 0 50 CCAA CC(=O)SC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)O 34065198 YACVCCXVPMISTO-SVRRBLITSA-N 277.367 0.888 0 50 CCAA C[C@H](C(=O)Nc1ccc2c(c1)CNCCO2)S(C)(=O)=O 261734591 LMPAXGYNMABEEP-SECBINFHSA-N 298.364 0.540 0 50 CCAA CSC[C@H](NC(=O)c1cccc(O)n1)C(=O)O 426597194 IHUKGQXWYSKHNI-ZETCQYMHSA-N 256.283 0.333 0 50 CCAA O=C(N[C@@H]1COC[C@H]1O)[C@H]1CCc2ccccc2O1 334012320 WDWUUZMQOPLYKW-NQBHXWOUSA-N 263.293 0.256 0 50 CCAA COc1cc(C(=O)N2CC[C@H](O)C2(C)C)nn1C 336796657 UYGCKNAJWJEMNG-VIFPVBQESA-N 253.302 0.414 0 50 CCAA COC1(CC(=O)N2CCNC(=O)C[C@@H]2C)CCC1 369589453 YNKZXULXWVXZLW-JTQLQIEISA-N 254.330 0.683 0 50 CCAA CSCCN1CCN(C(=O)c2cnc(N)s2)CC1 584885824 UBNRWPFLPZAKIP-UHFFFAOYSA-N 286.426 0.846 0 50 CCAA CC(C)(O)CCN1CC[C@@H](S(=O)(=O)NC2CC2)C1 372136873 QYNJYMMYAWWORC-LLVKDONJSA-N 276.402 0.304 0 50 CCAA CCc1ncc(S(=O)(=O)NCCn2cnc(C)c2C)[nH]1 823484551 VCOJONKIDBAADF-UHFFFAOYSA-N 297.384 0.764 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N1CCOC2(CCCCC2)C1 886041028 CZTPYFVTZSFYHX-OLZOCXBDSA-N 282.384 0.925 0 50 CCAA Cn1ccc(=NC(=O)CN2CCc3ccccc3CC2)[nH]1 2100543357 QNLTWVYLSHKNHK-UHFFFAOYSA-N 284.363 0.881 0 50 CCAA O=C(NO[C@H]1CCCCO1)C1(n2nccn2)CC1 2325789850 RXDMZXPAWZCNAJ-VIFPVBQESA-N 252.274 0.342 0 50 CCAA C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)O 392035 IPJUIRDNBFZGQN-WPRPVWTQSA-N 253.254 0.747 0 50 CCAA CCOc1cccc(C(=O)NN2CCN(C)CC2)c1 6690903 YXOGHHMPQZFPLA-UHFFFAOYSA-N 263.341 0.978 0 50 CCAA O=S1(=O)C[C@@H](N2CCOCC2)[C@]12C[C@H]1CC[C@H]2C1 101094008 WMRMKRNQLFZEAN-WUHRBBMRSA-N 271.382 0.674 0 50 CCAA COC(=O)[C@H]1CCc2nnc(Cn3nc(C)cc3C)n2C1 601045242 UNLZCZAZZBNHNO-NSHDSACASA-N 289.339 0.875 0 50 CCAA CN[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)s2)C1 134061097 DKTONVSPNRZAFZ-MRVPVSSYSA-N 267.354 0.671 0 50 CCAA CNC(=O)CC1CCN(CC(C)(C)N2CCOCC2)CC1 67821809 QVZCSIFLVUPLLC-UHFFFAOYSA-N 297.443 0.945 0 50 CCAA O=C(NCc1csc(-c2ncccn2)n1)c1cn[nH]n1 72148041 SYFRNSVKHZISAJ-UHFFFAOYSA-N 287.308 0.648 0 50 CCAA CC[C@@H]1CN(C(=O)COC(C)C)CCN1C[C@H](C)O 330691374 QVXAJGSKXRWXCO-QWHCGFSZSA-N 272.389 0.715 0 50 CCAA O=C(O)CCCNC(=O)CNC(=O)OCc1ccccc1 149122939 UEKVGPXONDXSNG-UHFFFAOYSA-N 294.307 0.894 0 50 CCAA CCOc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1 150932615 TYJPOLBOUCFSBP-VXGBXAGGSA-N 264.325 0.424 0 50 CCAA Cc1ccc(N2C[C@@H](C(=O)N(C)CC(=O)O)CC2=O)cc1 237151913 IVJXICBLAIAVFL-NSHDSACASA-N 290.319 0.891 0 50 CCAA CCn1ncnc1[C@@H](C)NC(=O)C(=O)c1cccn1C 71745171 GTMHLTVWWWLVJN-SECBINFHSA-N 275.312 0.697 0 50 CCAA CCN1CCO[C@@H](C(=O)NCc2cnn3ccccc23)C1 367729239 OSLASFVOYSAOBB-CQSZACIVSA-N 288.351 0.671 0 50 CCAA CCC[C@@H](C)N1C[C@H](C(=O)N(C)CCC(=O)O)CC1=O 262733092 CLHCSJHHCBTVSK-GHMZBOCLSA-N 284.356 0.957 0 50 CCAA C=CC(=O)NCCC(=O)N[C@@H]1CCOC2(CCC2)C1 490624991 VHXQONOUUVEDCI-LLVKDONJSA-N 266.341 0.897 0 50 CCAA CCc1nc(C)c(C(=O)N[C@]2(C(=O)O)CCOC2)s1 262139759 RUNYBKAUSHUMJG-GFCCVEGCSA-N 284.337 0.987 0 50 CCAA NC(=O)c1csc(C(=O)NC[C@@H]2CCCCN2)c1 130664367 NIYKSCNXGFCXSF-VIFPVBQESA-N 267.354 0.719 0 50 CCAA NC(=O)CCCn1ncc(N2CCCCC2)cc1=O 72150582 MPWWREKSASCFNL-UHFFFAOYSA-N 264.329 0.499 0 50 CCAA OC[C@H]1CCN(Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1O 72144132 SOOPYPRZHJQGJS-ZWNOBZJWSA-N 277.324 0.845 0 50 CCAA CC[C@H](C)[C@H](NS(=O)(=O)NCc1ccccc1)C(N)=O 72168491 JCRBUIRWNPMCSQ-JQWIXIFHSA-N 299.396 0.511 0 50 CCAA OCCOc1ccccc1CN1CCC[C@](O)(CO)C1 72468604 MTIVAAOPBIBZSX-OAHLLOKOSA-N 281.352 0.377 0 50 CCAA C[C@]1(C(=O)NCCSc2cnn[nH]2)CCCO1 426699903 IZMBSGINQQDWHY-SNVBAGLBSA-N 256.331 0.582 0 50 CCAA COc1csc(C(=O)N2CCO[C@H](C(=O)O)C2)c1 161383139 DUUXSPJGUFWLQA-QMMMGPOBSA-N 271.294 0.682 0 50 CCAA O=C(C[C@H]1CCCOC1)NCCSc1nc[nH]n1 426470562 JBXNNVKOHUSZML-SECBINFHSA-N 270.358 0.830 0 50 CCAA COc1ccnc(C(=O)NC[C@@H]2CN(C(C)=O)CCO2)c1 426590027 SIEKFBQPUKTAFP-GFCCVEGCSA-N 293.323 0.067 0 50 CCAA CSC[C@H]1CCCN(C(=O)Cn2cccnc2=O)C1 97766595 WAVJVGSIIYALLQ-NSHDSACASA-N 281.381 0.845 0 50 CCAA Cc1cccc(CN2CCN(c3ncc[nH]c3=O)CC2)n1 97505647 CTURXABNKAWMHS-UHFFFAOYSA-N 285.351 0.796 0 50 CCAA COC[C@]1(O)CCN(C(=O)c2ccc(N)nc2)CC1(C)C 91907829 CXGFABNGMNCJOQ-OAHLLOKOSA-N 293.367 0.913 0 50 CCAA CSCc1noc(CN2CCN([C@H]3CCNC3)CC2)n1 244788107 QJLSJKUARMTQRA-NSHDSACASA-N 297.428 0.412 0 50 CCAA COc1cncnc1NC(=O)NC1(CO)CCC1 297371472 HPBCUSBQJHWRBI-UHFFFAOYSA-N 252.274 0.522 0 50 CCAA C[C@@H](OCC1CC1)C(=O)N1CCOC[C@H]1C(=O)O 299748116 GCTZRIYTBIDHPL-SCZZXKLOSA-N 257.286 0.114 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C2(N)CCCCC2)CC1=O 299753163 XCWXBHHOMWJQNK-UTUOFQBUSA-N 279.384 0.774 0 50 CCAA O=C1N[C@@H](C(=O)N2CCC3(CCOCC3)CC2)CO1 375922635 OGEPMNFECYDNNV-SNVBAGLBSA-N 268.313 0.514 0 50 CCAA CCCn1cc(NC(=O)NCc2nnc3n2CCC3)nn1 299762838 BOGCTPSHYBTXKC-UHFFFAOYSA-N 290.331 0.548 0 50 CCAA CC1CCN(S(=O)(=O)N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)CC1 822425706 HJCFFFTWDUZHEA-KPWCQOOUSA-N 299.440 0.645 0 50 CCAA C[C@H](NC(=O)CCCn1cnnn1)c1cccnc1 828000425 BZGGFCCXJNKNCP-JTQLQIEISA-N 260.301 0.726 0 50 CCAA CC1(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)CCOCC1 828896695 HUTCSBUUQXCOIL-KBPBESRZSA-N 284.400 0.180 0 50 CCAA O=C1C[C@H](C(=O)NCCc2cn[nH]c2)C2(CCCC2)O1 828244593 XKDJRKVOWUOSHH-LLVKDONJSA-N 277.324 0.944 0 50 CCAA COCCN(C)CC(=O)N1CC[C@H](N2CCCCC2)C1 670468329 POKSSBRFFZLZEE-AWEZNQCLSA-N 283.416 0.651 0 50 CCAA C=CC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 1338394567 MNPVESYHCMOVDI-NSHDSACASA-N 251.330 0.969 0 50 CCAA O=C(OCc1ccccc1)N1CCN[C@@H](CO)C1 54965276 WYLJXEXNZWQHBJ-GFCCVEGCSA-N 250.298 0.589 0 50 CCAA in-vitro O=C1CCc2c1cccc2C(=O)N1C[C@@H](O)[C@H](F)C1 952971942 RFCALPATKKSKDP-DGCLKSJQSA-N 263.268 0.970 0 50 CCAA CONC(=O)N1CCN(Cc2cnc(C)s2)CC1 167089812 PXHKZDUQDSZUPS-UHFFFAOYSA-N 270.358 0.840 0 50 CCAA OCc1cn([C@@H]2CCCC[C@@H]2NCCn2ccnc2)nn1 276317933 NWPZSWRJUCBSRY-UONOGXRCSA-N 290.371 0.740 0 50 CCAA CO[C@H]1CN(C(=O)NCc2ncoc2C)C[C@H]1OC 276914953 QVUYZJXJBXCNOQ-PHIMTYICSA-N 269.301 0.538 0 50 CCAA Cc1nn(CC(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)c(=O)o1 640372707 VUPZODRMWIHXCS-GXTWGEPZSA-N 293.323 0.315 0 50 CCAA Cc1cnn(CCNC(=O)[C@@H]2C[C@H](C)CC(=O)N2)c1 556228600 DRTOTTHYORQDTA-ONGXEEELSA-N 264.329 0.222 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1ccn(C)c1 643765512 VIAQILPGRYAEGP-AWEZNQCLSA-N 265.357 0.752 0 50 CCAA CN1N=C(C(=O)N(CC(=O)O)CC(C)(C)C)CCC1=O 692579907 YEZRLKMDBGLJRM-UHFFFAOYSA-N 283.328 0.554 0 50 CCAA O=C(NC1CCC(CO)CC1)N[C@H]1CC(=O)N(C2CC2)C1 1614867791 HBANNRMHFABSME-MCIGGMRASA-N 295.383 0.600 0 50 CCAA COCCS(=O)(=O)NCCNc1cccc(F)n1 1615585417 FJCRBOMVCIGMJP-UHFFFAOYSA-N 277.321 0.198 0 50 CCAA O=C(O)CCN1CCN(C(=O)c2cncc(O)c2)CC1 111684378 BVEUCDCONQEHDZ-UHFFFAOYSA-N 279.296 0.020 0 50 CCAA CN(C)c1cnc(C(=O)N2CCC[C@H](N(C)C)C2)cn1 408078490 CJXUMCYFELHNAO-NSHDSACASA-N 277.372 0.709 0 50 CCAA CN(C)c1nc(NCCCN2CCOCC2)ncc1F 1704326794 NBFSNTWTSJKFDJ-UHFFFAOYSA-N 283.351 0.816 0 50 CCAA CCOC[C@@H]1CN(c2cc(CO)c(F)cn2)CCO1 528188935 HGJFZRYOFMYRGS-NSHDSACASA-N 270.304 0.955 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(Cc2ccncc2Cl)C1 643805501 LPIKUZUAYHQUGU-ZDUSSCGKSA-N 283.759 0.937 0 50 CCAA NS(=O)(=O)CC1CCN(c2ncnc3cc[nH]c23)CC1 1772818259 BHUICZKKFFUKIR-UHFFFAOYSA-N 295.368 0.463 0 50 CCAA CCN1C(=O)N(C)C(=O)C12CCN([C@H](C)COC)CC2 14754906 KQWMWQXZUXBIHL-LLVKDONJSA-N 283.372 0.770 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 16322914 NWRQXIQGLPCWCL-JGVFFNPUSA-N 273.285 0.727 0 50 CCAA O=C(NCCN1CCOCC1)c1cccc(F)c1 19535674 LZVHSFMQIFUNHP-UHFFFAOYSA-N 252.289 0.888 0 50 CCAA COc1ccc(-n2ccnc2CN2C[C@@H]3C[C@H]2C(=O)N3)cc1 1857680791 PCYLUZZSPQCJHL-FZMZJTMJSA-N 298.346 0.954 0 50 CCAA NC(=O)C[C@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 119568742 PIYKKCFRGKMKBD-BXUZGUMPSA-N 275.352 0.800 0 50 CCAA CCn1nnc(C)c1CN1C[C@@H](OC)[C@H](c2cnn[nH]2)C1 643767156 KIOFVZRXLBQACL-GXFFZTMASA-N 291.359 0.339 0 50 CCAA NCc1nc(-c2cccc(C(=O)N3CCOCC3)c2)no1 34924908 ZTHVZEGOIAGUNX-UHFFFAOYSA-N 288.307 0.668 0 50 CCAA in-vitro CC[C@@](C)(N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(N)=O 390835675 USWUSCLNLGTJAN-LDYMZIIASA-N 295.305 0.783 0 50 CCAA COC(=O)CNC(=O)CNC(=O)Nc1ccccc1 2433499 PMYIPSNJUUDLKH-UHFFFAOYSA-N 265.269 0.097 0 50 CCAA O=C(CN1CCC2(CC1)OCCO2)NC1CCCC1 6699903 DJSVOJVZKSAWRF-UHFFFAOYSA-N 268.357 0.884 0 50 CCAA O=C(NCc1nc(CO)n[nH]1)[C@@H]1CSc2ccccc21 828839154 SPLNWQHQJOKWJL-SECBINFHSA-N 290.348 0.803 0 50 CCAA CC1(CN2CCC(=O)N(CC3(C)COC3)C2=O)COC1 1875293081 BRTNIXVRGBJEDN-UHFFFAOYSA-N 282.340 0.714 0 50 CCAA Cc1cc(NC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)on1 1875268585 ZZIRBBPOXLKQMC-HTQZYQBOSA-N 273.314 0.680 0 50 CCAA COC(=O)/C=C/CNC(=O)C1(O)Cc2ccccc2C1 1875273284 LLRJMZZNGLQFMH-QPJJXVBHSA-N 275.304 0.362 0 50 CCAA CC(C)[C@H](O)C1(CN[C@@H]2CCC(=O)N(C)C2)CC1 1875275713 YHKMCBQUBWAKMJ-YPMHNXCESA-N 254.374 0.994 0 50 CCAA O=C1CC2(CCC2)[C@@H](C(=O)N=c2[nH][nH]c3cccnc23)CN1 1875297270 IQDBTSPWTGWGAV-SECBINFHSA-N 299.334 0.625 0 50 CCAA CN1C[C@@H](N(C)C(=O)/C=C/CN2CCCC2)CCC1=O 1875338470 YTLVJXJOORZUBP-GFUIURDCSA-N 279.384 0.718 0 50 CCAA Cc1nc(C(=O)NC[C@@](C)(O)[C@H]2CCCCO2)no1 1875306091 RXLVSTOOIALBBU-BXKDBHETSA-N 269.301 0.428 0 50 CCAA Cc1c[nH]nc1C(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 886995328 JQQZBLMJEDOCSB-NXEZZACHSA-N 265.313 0.378 0 50 CCAA Cn1cccc1CNC(=O)[C@H]1CC[C@@H](C(=O)O)N1C1CC1 888102042 VLOLTEBHMGVUGF-OLZOCXBDSA-N 291.351 0.721 0 50 CCAA COc1cc(O)ncc1C(=O)N1C[C@H](N)C2(CCC2)C1 1775961288 ODAILBGQPSQVLG-NSHDSACASA-N 277.324 0.749 0 50 CCAA O=C1CNC(=O)N1CCN1CCC[C@H]1c1ccncc1 162738700 YWFQWEUSTPOKDT-LBPRGKRZSA-N 274.324 0.770 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)CCN1S(=O)(=O)Cc1ccccc1 247377641 IOEHKPUHUFMJEK-NEPJUHHUSA-N 299.348 0.426 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H](C)C2)o1 334654654 QUEFAANPYRTJGS-SCZZXKLOSA-N 259.327 0.979 0 50 CCAA CCN1C[C@@H](Nc2cc(C(=O)O)ncn2)CC1=O 705789983 ISQSBBLRQYFAPU-ZETCQYMHSA-N 250.258 0.208 0 50 CCAA COCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1nccn1C 385209853 PJUCBRQFDOWVDH-ONGXEEELSA-N 281.312 0.431 0 50 CCAA O=C(O)Cc1ccc(CN2C[C@H](O)[C@@H](F)C2)cc1 1616069976 MGMOZHMJNDZKRY-RYUDHWBXSA-N 253.273 0.828 0 50 CCAA Cn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O 6530699 PJFMAVHETLRJHJ-UHFFFAOYSA-N 256.265 0.627 0 50 CCAA in-vivo CCOC(=O)[C@@H](OCC)[C@H](OCC)C(=O)OCC 1690571 KWALRSPAGVOALG-UWVGGRQHSA-N 262.302 0.923 0 50 CCAA NCc1ccc(CS(=O)(=O)N2CCOCC2)cc1 21516121 YNOSHLVJNFWEDO-UHFFFAOYSA-N 270.354 0.307 0 50 CCAA CCC[C@](C)(CO)NC(=O)N[C@@H]1CCN(C(C)=O)C1 120907923 FRYKYNRHLUERSZ-DGCLKSJQSA-N 271.361 0.458 0 50 CCAA Cc1cnc[nH]c1=NC[C@@H]1CCc2nnc(C)n2C1 603293897 RVMJNXWDCWVQPN-NSHDSACASA-N 258.329 0.781 0 50 CCAA O=C(NCc1ccc2nonc2c1)[C@@H]1NCCc2[nH]cnc21 72429796 FYEVKSXAGLTQEZ-CYBMUJFWSA-N 298.306 0.449 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)[C@H]1CCOC1 257365083 NWWYUNJORDPPAO-WOPDTQHZSA-N 274.386 0.274 0 50 CCAA C[C@@H](O)c1cn(CC(=O)Nc2nccs2)nn1 124706737 XEGOJSLABOAZQJ-ZCFIWIBFSA-N 253.287 0.427 0 50 CCAA Cc1ccc(CC(=O)N2CC(=O)NCC2(C)C)cn1 282586192 GKQZETILTBBFLU-UHFFFAOYSA-N 261.325 0.670 0 50 CCAA O=C1C[C@@H](C(=O)N2CCNCC2)CN1Cc1ccccc1 32051200 HRCNYMQFUXNAKC-CQSZACIVSA-N 287.363 0.467 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)N1CC(=O)N(C2CC2)C1 334310549 OZWJLCCGJDCFQV-NEPJUHHUSA-N 266.341 0.982 0 50 CCAA O=C(O)CNC(=O)c1cccc(CN2CCCC2=O)c1 237930075 JZQJEZGKEAYMJQ-UHFFFAOYSA-N 276.292 0.623 0 50 CCAA CC(=O)NCCNc1cc(N2CCOCC2)nc(C)n1 72437055 SNOXQOBFBLCMAU-UHFFFAOYSA-N 279.344 0.170 0 50 CCAA CCCc1nc(CN2CCO[C@H](C)[C@H]2C(N)=O)no1 284632295 FAAHHJYIIWGWJU-KCJUWKMLSA-N 268.317 0.097 0 50 CCAA O[C@H]1CN(Cc2ccncc2)C[C@@H]1N1CCSCC1 72406927 JAOTUGLMBOJADB-KBPBESRZSA-N 279.409 0.676 0 50 CCAA Cn1cncc1CC(=O)N1CC(C)(C)O[C@]2(CCOC2)C1 527027337 OVYYGEJKXMOSQK-OAHLLOKOSA-N 293.367 0.759 0 50 CCAA Cc1cc(F)ccc1CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 222956502 VRKPYUQJEZWOTA-KBPBESRZSA-N 280.343 0.810 0 50 CCAA CS(=O)(=O)NC1=NCN(Cc2ccccc2F)CN1 40387268 XNRRDEYOMINCJL-UHFFFAOYSA-N 286.332 0.051 0 50 CCAA C[C@H](NC(=O)N[C@@H]1CCCN(C)C1=O)c1csnn1 528018993 PHIACFAQOVLJRS-JGVFFNPUSA-N 283.357 0.519 0 50 CCAA NC[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCCCO1 178966787 FWDSEBJALBUVOX-MNOVXSKESA-N 262.375 0.308 0 50 CCAA CCC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1N(C)C 95496785 JPMLKHBXIKHHIK-ZYHUDNBSSA-N 278.356 0.572 0 50 CCAA Cc1cnc(CNC(=O)[C@H]2CSC(C)(C)C(=O)N2)cn1 97696200 XNDSTEQDBQZWHR-SNVBAGLBSA-N 294.380 0.411 0 50 CCAA Nc1ccsc1C(=O)N1CCNC[C@H](C(=O)O)C1 97244059 NKEUXRXYSAXQKJ-ZETCQYMHSA-N 269.326 0.077 0 50 CCAA COc1cccn(CC(=O)N(C)Cc2nnc(C)o2)c1=O 95521713 WQLVEKQRAAQDES-UHFFFAOYSA-N 292.295 0.207 0 50 CCAA CS(=O)(=O)N1CCC[C@H]1c1nc(-c2cccnn2)no1 95510898 COKDWVSMEJJMAS-VIFPVBQESA-N 295.324 0.623 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCNC[C@@H]2C(=O)O)on1 95511407 QJHSNQJCAFGWGJ-SNVBAGLBSA-N 281.312 0.372 0 50 CCAA CSCc1noc(Cn2ncn3cccc3c2=O)n1 95375463 ZKMZSBSXHQSTJM-UHFFFAOYSA-N 277.309 0.790 0 50 CCAA O=C(O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239402602 QVKBNBWTDBEIPL-AVXXSMEWSA-N 261.277 0.514 0 50 CCAA CC(C)c1ncc(C(=O)N2CCS(=O)(=O)CC2)cn1 97742978 SHKXRESVGJAQHL-UHFFFAOYSA-N 283.353 0.471 0 50 CCAA CCCN1CCN(c2cc(NC[C@@H](C)O)ncn2)CC1 298455450 YJVFHPBZZQQQOV-GFCCVEGCSA-N 279.388 0.801 0 50 CCAA C[C@@H](CC(=O)O)NS(=O)(=O)CC(=O)c1ccccc1 725375466 HNMSUZLZVKBKMF-VIFPVBQESA-N 285.321 0.652 0 50 CCAA CNc1ncccc1C(=O)N1CCO[C@H](C(=O)N(C)C)C1 584902919 HDXJKWALXIJGRE-NSHDSACASA-N 292.339 0.053 0 50 CCAA CN(C)C(=O)NCC(=O)NCCCC[C@@H]1CCCO1 584901968 JSGRZQKBYFBQDU-LLVKDONJSA-N 271.361 0.723 0 50 CCAA NC(=O)Cc1nc(CN2CCc3ccccc3C2)n[nH]1 670466789 DFYAXAOTESWFCS-UHFFFAOYSA-N 271.324 0.391 0 50 CCAA O=C(O)[C@H]1[C@H](C(=O)Nc2nncs2)[C@H]2CC[C@H]1O2 239439005 ZHVIVBKDPMXKCM-DBRKOABJSA-N 269.282 0.355 0 50 CCAA CC(C)(C)C1(NC(=O)[C@H]2CCC(=O)NC(=O)N2)CC1 584902387 RDFOUALQOWUTTO-MRVPVSSYSA-N 267.329 0.670 0 50 CCAA O=C(NCc1cccnc1N1CCCCC1)C1(O)COC1 1363046735 CRXZMDMWEFTJFX-UHFFFAOYSA-N 291.351 0.449 0 50 CCAA O=C1Nc2ccncc2C[C@@H]1NC(=O)[C@H](F)C(F)(F)F 1548794134 JECXKPYXADUXBG-YUMQZZPRSA-N 291.204 0.961 0 50 CCAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)[C@@H]1CCN1 952983764 VTAWSDBMIFTDBD-VIFPVBQESA-N 260.257 0.292 0 50 CCAA NC(=O)[C@@H]1CCC[C@H](C(=O)NS(=O)(=O)C2CCC2)C1 408480515 CXBVOHRBEKGIJE-BDAKNGLRSA-N 288.369 0.277 0 50 CCAA CC[C@H](NC(=O)[C@@H]1CCCCC(=O)N1)C(OC)OC 408523671 UNZGXHWNBCMFON-UWVGGRQHSA-N 272.345 0.559 0 50 CCAA C[C@H](OC(=O)c1n[nH]c2c1CCCCC2)C(N)=O 170608495 PRGFQHGCUYDSAP-ZETCQYMHSA-N 251.286 0.709 0 50 CCAA C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)CNC(=O)CN 274450074 SHVOHWRIPFCTLA-JSGCOSHPSA-N 289.379 0.541 0 50 CCAA C[C@@H]1C[C@H](N)CN1C(=O)c1cn(Cc2cccs2)nn1 638938364 ZAHIADJRFXEPSJ-ZJUUUORDSA-N 291.380 0.950 0 50 CCAA C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)CCn1ccnc1 641541784 WFIKEMXHHAGKMN-GHMZBOCLSA-N 273.358 0.058 0 50 CCAA COCCN1CCCN(C(=O)[C@H]2CCCO[C@H]2C)CC1=O 190874081 BYUZVVXNLDGRRF-STQMWFEESA-N 298.383 0.509 0 50 CCAA O=C(NCCc1ccco1)N1CC(=O)N(C2CC2)C1 684114071 NBTGGMNCNHEPKH-UHFFFAOYSA-N 263.297 0.796 0 50 CCAA N[C@@]12CCC[C@H]1CN(C(=O)c1ccc3c(n1)CNCC3)C2 1615547685 PMLWEUDTHGAEPE-BLLLJJGKSA-N 286.379 0.681 0 50 CCAA O=C(CN1CCC(O)(CN2CCCCC2)CC1)NC1CC1 1615587530 MWXLRFXLJSODCY-UHFFFAOYSA-N 295.427 0.578 0 50 CCAA CCc1noc(NC(=O)[C@@H]2CCCN(CC(N)=O)C2)c1C 1506420592 KUYCYSYBEODLNV-SNVBAGLBSA-N 294.355 0.681 0 50 CCAA C[C@H]1CN(C(=O)CSc2nncn2C)C[C@]1(O)C1CC1 213005969 ZVERWOFYBUEAJX-TVQRCGJNSA-N 296.396 0.527 0 50 CCAA CCn1ncnc1CN(CCO)Cc1ncc[nH]1 1704312098 ZRPRSYHGJVJITK-UHFFFAOYSA-N 250.306 0.016 0 50 CCAA Nc1nc(SCC(=O)NCc2ccco2)n[nH]1 3310765 HAPKVOMFVGNYTO-UHFFFAOYSA-N 253.287 0.388 0 50 CCAA OC[C@H](O)CNCc1c(Cl)cncc1Cl 725273694 VPFFIMUEURNDFG-ZCFIWIBFSA-N 251.113 0.831 0 50 CCAA C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](CC2CC2)C1 645119753 VXHVOHKCZANGQK-JQWIXIFHSA-N 288.413 0.915 0 50 CCAA O=C(O)c1ccccc1OCC(=O)N1CCOCC1 5679215 LXVCUQJMRRTAKT-UHFFFAOYSA-N 265.265 0.622 0 50 CCAA CCn1cnnc1CCNC(=O)[C@]1(C)CC12CCNCC2 1857685499 WEUSESNAXQLTJE-AWEZNQCLSA-N 291.399 0.737 0 50 CCAA CCc1nn(C)cc1NC(=O)N[C@@H]1CCN(C(C)=O)C1 408096797 FKBYZRWNQYANRI-SNVBAGLBSA-N 279.344 0.725 0 50 CCAA O=C(CCc1nn[nH]n1)N1CCC[C@@H]1CN1CCCCC1 630912576 VNTMECRQIVHMLE-GFCCVEGCSA-N 292.387 0.609 0 50 CCAA Cn1[nH]c(CN2CC[C@H](n3cc(Cl)cn3)C2)nc1=O 329806710 BDJHWZVQJBDFKC-VIFPVBQESA-N 282.735 0.405 0 50 CCAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1C(=O)O 331695495 UMSIAUNKOZHZKB-BPTDKIDVSA-N 279.340 0.805 0 50 CCAA Cc1cc(-n2cncn2)ccc1C(=O)N1CCNCC1 237805188 ZMMFMYFONXKFGV-UHFFFAOYSA-N 271.324 0.621 0 50 CCAA CCCN(C(=O)c1ccccn1)[C@@H]1CC(=O)N(C)C1=O 253392924 HBSMJEWZMZWALZ-LLVKDONJSA-N 275.308 0.691 0 50 CCAA Cc1ncc(CN2CCCC[C@@H]2CS(N)(=O)=O)o1 825281609 KXLRETALTCNXKF-SNVBAGLBSA-N 273.358 0.626 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N=S1(=O)CCCC1 1875280015 POGVFYRWUZQMNJ-UHFFFAOYSA-N 277.371 0.679 0 50 CCAA Cc1c(C(=O)N[C@H]2CCC[C@H]2Oc2cn[nH]c2)nnn1C 952848514 HWWUKUJHXXQMHG-WDEREUQCSA-N 290.327 0.577 0 50 CCAA CCOCCCC(=O)NC1(C)CN(C(=O)OC)C1 952880302 CLONMFXPUDILQT-UHFFFAOYSA-N 258.318 0.760 0 50 CCAA CCc1ccc(CNC(=O)CN2CCNCC2)nc1 1875287286 CCZDEUDITLIVOE-UHFFFAOYSA-N 262.357 0.165 0 50 CCAA O=C(N[C@@H]1CCCNC1)[C@H]1Cc2ccc(O)cc2CN1 1875337809 GKEXCZDRJNKISX-TZMCWYRMSA-N 275.352 0.275 0 50 CCAA COc1nccc(CN2CCO[C@@H](CNC(C)=O)C2)c1F 892056140 PYMIMRWORCEULI-LBPRGKRZSA-N 297.330 0.566 0 50 CCAA CNS(=O)(=O)N[C@@H](C(=O)O)c1cccc(C)c1 899574885 BYIPWJWAFQSZKL-SECBINFHSA-N 258.299 0.175 0 50 CCAA CCOC(=O)N1CCN(C(=O)[C@@H]2CCCNCC2)CC1 534577745 RTZQBDLGBBVEGC-GFCCVEGCSA-N 283.372 0.677 0 50 CCAA O=C(O)C[C@H](NC(=O)c1ccnnc1)C(F)(F)F 829372211 SFLBFYIQEFCEPB-LURJTMIESA-N 263.175 0.612 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1CS(N)(=O)=O 887864456 ZRSBEZWEQYJCHF-JXUBOQSCSA-N 260.359 0.025 0 50 CCAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O 82331 XACYTACCRYOQML-LLVKDONJSA-N 278.308 0.470 0 50 CCAA CCOC(=O)c1cnc(N2CCOCC2)nc1N 160634 LFUDBQDKNCOTQO-UHFFFAOYSA-N 252.274 0.072 0 50 CCAA COC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)O 1564878 OPZWAOJFQFYYIX-GXSJLCMTSA-N 267.281 0.835 0 50 CCAA O=C(NCCc1ccc(F)cc1)C(=O)NC1CC1 2296603 RGCADOQEJYZTQG-UHFFFAOYSA-N 250.273 0.763 0 50 CCAA CCN(CC)C(=S)S[C@@H]1CS(=O)(=O)C[C@@H]1O 3076435 TULIRXDZFOOIPW-JGVFFNPUSA-N 283.440 0.504 0 50 CCAA CO[C@H](C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 112033771 LCMLWGPJACJMOE-RQJHMYQMSA-N 268.235 0.301 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCCc1cccs1 67695808 JVAXHTAUGLSURK-JQWIXIFHSA-N 295.408 0.745 0 50 CCAA NC(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)s1 117107089 PINNZWPPENIFLT-SSDOTTSWSA-N 282.321 0.784 0 50 CCAA O=C(NCCO)c1cc(COc2cccc(F)c2)[nH]n1 67712752 CZFNGESCJBQTHU-UHFFFAOYSA-N 279.271 0.850 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1c(C)nn(C)c1Cl 67743163 GEQZWGGTSXSKFN-SCZZXKLOSA-N 285.779 0.030 0 50 CCAA Cn1cccc1CN1CCC[C@H]1c1nc(C(N)=O)no1 328621991 AVDWYCRSCJUAIF-JTQLQIEISA-N 275.312 0.844 0 50 CCAA O=C(N[C@H]1CCCCNC1=O)c1cccc(-n2cnnc2)c1 215359465 JMGRCVXJEKTKLY-ZDUSSCGKSA-N 299.334 0.666 0 50 CCAA COc1ccc(S(=O)(=O)NC[C@@H](C)O)c(C)c1C 36638801 MZBGUUAMVGPEEQ-MRVPVSSYSA-N 273.354 0.971 0 50 CCAA O=C(Cc1nc(-c2ccccn2)n[nH]1)NC[C@@H]1CCCO1 32607236 WVWCZLMKULIUPD-JTQLQIEISA-N 287.323 0.704 0 50 CCAA O=C(c1nc(O)c2ccccc2n1)N1CC[C@H]2CNC[C@H]21 77459985 KAYTUIIYQONGHK-JOYOIKCWSA-N 284.319 0.769 0 50 CCAA C[C@H]1C[C@@H](NC(=O)c2csc(CN)n2)CN1C1CC1 237534929 KAAHBIRPANVUOL-DTWKUNHWSA-N 280.397 0.957 0 50 CCAA CC[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H](C(=O)N(C)C)C1 334118714 JJPMGKVMFQXIBT-TUAOUCFPSA-N 283.372 0.674 0 50 CCAA CCN(CC(=O)O)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 262419619 MXXZGSMABPPBSN-UHFFFAOYSA-N 290.275 0.459 0 50 CCAA Cc1cnc(N2CC[C@](O)(c3c[nH]nn3)C2)nc1C 284678288 XCYFZLDABFHRLH-GFCCVEGCSA-N 260.301 0.309 0 50 CCAA CCO[C@H]1C[C@](NC(=O)[C@@H]2CCCO2)(C(=O)O)C1(C)C 263479213 AGKWUMMMTGIZQL-BHDSKKPTSA-N 285.340 0.940 0 50 CCAA O=C(NCCCc1nc(=O)[nH][nH]1)c1ccc2nccn2c1 176260852 SPIYTSOYYBXKKL-UHFFFAOYSA-N 286.295 0.108 0 50 CCAA COC(=O)c1nnn2cc(-c3ccsc3)[nH]c(=O)c12 221633757 NOGRJDXFNAMQDS-UHFFFAOYSA-N 276.277 0.933 0 50 CCAA COc1ncc(C(=O)NCc2cnc(C)cn2)cn1 426728340 WSZSXCXQRLPUKG-UHFFFAOYSA-N 259.269 0.514 0 50 CCAA COCC[C@@H]1COCCN1C(=O)[C@@H]1CCCc2nn[nH]c21 615113497 SMNBHKSZDOJUIJ-GHMZBOCLSA-N 294.355 0.489 0 50 CCAA N[C@@H](Cc1c[nH]cn1)c1n[nH]c(C2CCOCC2)n1 97757963 MKBVCLPAITWVJH-JTQLQIEISA-N 262.317 0.664 0 50 CCAA O=c1[nH]c2ccc(-c3nc([C@@H]4CCOC4)n[nH]3)cc2[nH]c1=O 97784871 TVPBYQDHMJEVGW-MRVPVSSYSA-N 299.290 0.505 0 50 CCAA Nc1nc(N2CCC(CO)CC2)cc([C@H]2C[C@@H](N)C2)n1 244773972 PJSKXWVUJFZESP-PHIMTYICSA-N 277.372 0.472 0 50 CCAA O[C@H]1C[C@@H](c2cc(NCCn3cnnc3)ncn2)C1 244723973 MLDAEKVBZCBKIV-AOOOYVTPSA-N 260.301 0.419 0 50 CCAA CCc1nc(-c2c3n(c(=O)n(C)c2=O)CCCC3)no1 257197433 MYQMQYINNAPUPJ-UHFFFAOYSA-N 276.296 0.496 0 50 CCAA Cc1ccc(O[C@H](C)CNC(=O)[C@@H]2C[C@@H](O)CN2)cc1 299753227 XIYKTCFKMQSTIT-BZPMIXESSA-N 278.352 0.601 0 50 CCAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)COC[C@@H]1CCCCO1)C2 534585570 KUDHSOGFJNJSDT-XFMPKHEZSA-N 282.384 0.768 0 50 CCAA NC(=O)C1(NC(=O)CCCC(=O)O)CCCCCC1 534635617 JDPQPGNDNOASFS-UHFFFAOYSA-N 270.329 0.936 0 50 CCAA CN(Cc1cccc(O)c1)C(=O)CSCC(N)=O 531878755 ISYQBAMFSRDGFD-UHFFFAOYSA-N 268.338 0.569 0 50 CCAA Cc1cc(C)nc(CN2CC[C@@](C)(O)[C@@H](O)C2)n1 96164219 BTYFJALWBQHNST-WCQYABFASA-N 251.330 0.411 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2)CN1 299777636 NXKPLSUJKUAPBH-MNOVXSKESA-N 266.272 0.459 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(F)c2)CN1 299789747 AFKDOBBZNAHHLB-QWRGUYRKSA-N 266.272 0.459 0 50 CCAA CN1CCC[C@@H]1CCNC(=O)CCS(C)(=O)=O 827819918 FHLHPHZWHUUJIW-SNVBAGLBSA-N 262.375 0.022 0 50 CCAA CC(C)c1noc([C@H](C)NC(=O)NCC(=O)O)n1 822285072 PWXNANKETGJSOQ-LURJTMIESA-N 256.262 0.638 0 50 CCAA CCN1CCCC[C@H]1CNC(=O)CCCS(N)(=O)=O 823113173 DRAJHYXYOCRKBM-NSHDSACASA-N 291.417 0.046 0 50 CCAA Cc1ncc(C(=O)NCCN2CCC[C@@H](CO)C2)cn1 828711176 NGVOZKAPIQCRFH-GFCCVEGCSA-N 278.356 0.219 0 50 CCAA CN1CCC[C@H]1C(=O)NCCc1csc(N)n1 823783449 UVZMLSMVZWYDEL-VIFPVBQESA-N 254.359 0.478 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCC1(CO)CCCC1 495467869 LVNRHWFINQNNPT-VIFPVBQESA-N 258.318 0.400 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)CN(C)C1CCNCC1 670460795 XUDVPNRCHUCNMV-UHFFFAOYSA-N 293.415 0.369 0 50 CCAA CC1=C(C(=O)NCc2nnc3ccccn23)OCCO1 952986591 JLFUGOJWOMGGOB-UHFFFAOYSA-N 274.280 0.624 0 50 CCAA Cc1cnc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cn1 170231143 XCAJUURTLGEILL-VIFPVBQESA-N 269.326 0.044 0 50 CCAA CCN1CCO[C@@H](CN[C@@H]2CCOC2)[C@@H]1c1cnn(C)c1 657622403 QUXDAWOADOSATE-ILXRZTDVSA-N 294.399 0.560 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cccc3nccn23)C1 794186137 KMLIKNCVZRUEJV-ONGXEEELSA-N 288.307 0.049 0 50 CCAA C[C@@H](Nc1ccc2nnnn2n1)C(=O)NC(C)(C)C 134441685 QNYCFNZNGCRZEB-SSDOTTSWSA-N 263.305 0.234 0 50 CCAA O=C1CNCCN1[C@H]1CCCN(C[C@H]2C[C@H]3CC[C@H]2N3)C1 1615587664 PRUOLQQLGITALT-APIJFGDWSA-N 292.427 0.023 0 50 CCAA COCC1(C)CCN(C(=O)[C@@H]2NCc3ncncc32)CC1 1615616529 QZDPFGHLKVRRGX-CYBMUJFWSA-N 290.367 0.896 0 50 CCAA CN(CC[C@H]1COCCO1)CCN1CCOCC1 1775984397 RSVWAHOVOBWRIS-ZDUSSCGKSA-N 258.362 0.056 0 50 CCAA O=C1CCCN1CCN1CCC(N2CCC[C@@H](O)C2)CC1 1506422696 CCEPEXZSNCBEMT-OAHLLOKOSA-N 295.427 0.530 0 50 CCAA C[C@H](CCO)NC(=O)c1[nH]c(=N)ccc1Br 1857694513 CTDJKOPUTFNUHI-ZCFIWIBFSA-N 288.145 0.757 0 50 CCAA CN(CC(C)(C)O)C(=O)[C@@H]1CCn2cncc2C1 408135465 YKDJCBZDSHNUHJ-SNVBAGLBSA-N 251.330 0.675 0 50 CCAA O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H](F)C[C@H]1CO 334370523 WCEQQYPVPIBJJM-IUCAKERBSA-N 253.277 0.832 0 50 CCAA NC(=O)C1CCN(CC(=O)Nc2ccccc2)CC1 4725139 FVRHZDQLLWRMRP-UHFFFAOYSA-N 261.325 0.822 0 50 CCAA Cc1[nH]nc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)c1Cl 1857717647 QZIJOZWMZIECJG-MFKMUULPSA-N 296.758 0.905 0 50 CCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccncc3)C[C@@H]12 1857734893 XFAXTDVCTFIJAF-MJBXVCDLSA-N 295.408 0.241 0 50 CCAA CN1CC[C@H](NC(=O)Cc2cnnn2C)[C@H]1c1ccccc1 613056464 GIOHUMCHLTXBAX-GOEBONIOSA-N 299.378 0.919 0 50 CCAA CN1C(=O)C[C@@H](NC(=O)Nc2ccc(F)cn2)C1=O 225524721 HKRVVAKSSUQETB-SSDOTTSWSA-N 266.232 0.100 0 50 CCAA C[C@@H]1C[C@H](N2CCO[C@@H](Cn3cccn3)C2)C(=O)O1 229503183 QQDGMLSYXPFZMG-UTUOFQBUSA-N 265.313 0.288 0 50 CCAA CN(C(=O)Cc1ccc2c(c1)CCCO2)[C@@H]1CCNC1=O 335489507 QUIWGRCOYKOEPT-CYBMUJFWSA-N 288.347 0.901 0 50 CCAA C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1cccn1C 241588335 PCBRPCYPVJXVPI-DGCLKSJQSA-N 285.413 0.785 0 50 CCAA Cc1ncc(C(=O)NC[C@@](C)(O)C(=O)O)c(C(C)C)n1 262430250 SJQAKYRGCNRJMJ-CYBMUJFWSA-N 281.312 0.474 0 50 CCAA CN(C)c1ncnc2c1ncn2CCO[C@H]1CCOC1 916832381 PLQRXZSNVFCIBJ-JTQLQIEISA-N 277.328 0.698 0 50 CCAA CC[C@H](NC)C(=O)NS(=O)(=O)c1cccc(C(C)=O)c1 901014093 NHUOMRXULPLSBC-LBPRGKRZSA-N 298.364 0.692 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H](CN)O[C@H]2COC[C@@H]21 1857779955 INLCADMXVCETIU-UTLUCORTSA-N 258.318 0.348 0 50 CCAA CN1CCn2ncc(CNC(=O)[C@H]3CC3(C)C)c2C1 952888723 LZCFVUXQOKOAQN-LLVKDONJSA-N 262.357 0.991 0 50 CCAA CCn1cc(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)O)nn1 1875393896 PLDDPKQDOMNHML-JOYOIKCWSA-N 266.301 0.671 0 50 CCAA O=C1CCN(C(=O)Cc2ncccc2F)[C@H]2CCCN12 888166724 XEDZIPDHQYCXLA-LBPRGKRZSA-N 277.299 0.944 0 50 CCAA NC(=O)[C@@]1(O)CCCN(C(=O)Cc2ccccc2Cl)C1 285502533 MIHWKEUUGHSMOT-CQSZACIVSA-N 296.754 0.721 0 50 CCAA O=C(N[C@@]1(CO)CCOC1)[C@H]1Cc2ccccc2O1 182892031 AGJFLUIMHWEDRA-TZMCWYRMSA-N 263.293 0.258 0 50 CCAA O=C1CCCCCN1CC(=O)N1[C@H]2CCNC[C@H]1CC2 210420653 HAHXZCIOUKPIPD-CHWSQXEVSA-N 279.384 0.742 0 50 CCAA CCc1noc(C)c1C(=O)N1CC[C@](O)(CN(C)C)C1 72144653 LYLTVDBPBYLVEQ-AWEZNQCLSA-N 281.356 0.684 0 50 CCAA Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)s1 317555672 ZJJXROSAFQPVLH-NXEZZACHSA-N 291.394 0.339 0 50 CCAA COCCOCCN1CCN(C(=O)C2CCC2)CC1 79412995 OIERZXWMSCWPBC-UHFFFAOYSA-N 270.373 0.594 0 50 CCAA O=S(=O)(CCOc1ccccc1F)N1CCNCC1 393644369 BSVRTEBYPXFFGH-UHFFFAOYSA-N 288.344 0.440 0 50 CCAA NC(=O)C[C@H]1CCCCN1Cc1noc2c1COCC2 929519037 HNACQXPQHLTWHO-SNVBAGLBSA-N 279.340 0.977 0 50 CCAA Cc1cc(CNC(=O)[C@@H]2CN(C)CC[C@H]2O)cnc1C 2100556409 MOWRPTRMGYDAPP-ZIAGYGMSSA-N 277.368 0.627 0 50 CCAA CNC(=O)CN1CCN([C@H]2CCC(C)(C)C2)CC1 1857701582 WEYKMNAHPFCTHD-LBPRGKRZSA-N 253.390 0.929 0 50 CCAA C[C@@H]1COC(=O)[C@@H]1NC(=O)Cc1ccc2nc(O)[nH]c2c1 2325827115 VNLSDSGFQUOREV-JMCQJSRRSA-N 289.291 0.489 0 50 CCAA CCOC(=O)[C@@H](Cc1ccccc1)N1C[C@H]1C(N)=O 3087878 HLOLXTJETWRSPL-WWMUWCCSSA-N 262.309 0.330 0 50 CCAA CCOC(=O)[C@@](CO)(CNC(C)=O)c1ccccc1 4828824 MHWFLADBGULOBR-CQSZACIVSA-N 265.309 0.616 0 50 CCAA COC[C@H](C)S(=O)(=O)N1CCN2CCC[C@H]2C1 246640917 DWAIMTBVHSQKLF-QWRGUYRKSA-N 262.375 0.131 0 50 CCAA O=C(NCCc1cn2ccccc2n1)N1CCNCC1 416946957 OLCCSUCFPSHDSS-UHFFFAOYSA-N 273.340 0.492 0 50 CCAA CCN(CCn1cccn1)C(=O)c1ccc(=O)[nH]c1 67562391 MPAUTXRPXUQNHD-UHFFFAOYSA-N 260.297 0.734 0 50 CCAA CC(C)(C)[C@H](O)C[C@H](CO)NS(=O)(=O)C1CC1 252489104 JFLLYLNFFSLKTR-PSASIEDQSA-N 265.375 0.226 0 50 CCAA Cc1nc(N(C)C)nc(NCCc2nnn[nH]2)c1C 65455061 YLJGALUBTQYBNL-UHFFFAOYSA-N 262.321 0.327 0 50 CCAA C[C@H](c1ccccc1)N1CCO[C@H](CN(C)CC(N)=O)C1 281996718 IMTGCYVTSQUUFW-UKRRQHHQSA-N 291.395 0.866 0 50 CCAA O=C(CCn1ccnn1)N1CCC[C@@H](Cn2cncn2)C1 328682737 OVACLHOQRSBVSY-GFCCVEGCSA-N 289.343 0.199 0 50 CCAA CN1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 72419237 IXCVCEKCKPGNBG-GFCCVEGCSA-N 293.415 0.581 0 50 CCAA Cc1ncsc1-c1nc(Cn2cnn(C)c2=O)no1 329708653 MNCHJBVZEWKCOH-UHFFFAOYSA-N 278.297 0.445 0 50 CCAA COc1ccc(CN2CCC[C@](O)(CO)C2)cc1O 72420138 QVPKUXPHHFVOSN-CQSZACIVSA-N 267.325 0.720 0 50 CCAA Cc1ncc(C(=O)N2CCCC[C@@]2(C)C(=O)O)c(=O)[nH]1 217120807 OMGICGTYQONJIC-ZDUSSCGKSA-N 279.296 0.548 0 50 CCAA c1cn(CCn2cnnc2)c(-c2cc3n(n2)CCCNC3)n1 72454120 APCUXJMCYSZKBE-UHFFFAOYSA-N 298.354 0.532 0 50 CCAA Cn1nccc1C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 283701660 SHCKBTJBMZFOOL-YPMHNXCESA-N 293.367 0.718 0 50 CCAA Cc1cnn(CC(=O)N(C)C[C@H]2COCCO2)c1 221422707 RQXCVLUSBQKXDP-NSHDSACASA-N 253.302 0.065 0 50 CCAA Cn1ncc2c(N3CC[C@@]4(CNC(=O)C4)C3)ccnc21 287715214 KYFNBONYHOABCS-CQSZACIVSA-N 271.324 0.685 0 50 CCAA CC[C@@H](NC(=O)c1cc(CO)ccn1)[C@H]1C[C@@H](O)C1 222683305 RUBNSQHQORTDPH-IJLUTSLNSA-N 264.325 0.853 0 50 CCAA C[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1nc(N)n[nH]1 426514896 RGWLKPPLAVGFPI-SECBINFHSA-N 288.355 0.940 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1ccsc1 222805635 BIXWWIPEJVZNEM-RYUDHWBXSA-N 282.365 0.578 0 50 CCAA COc1ncc(C(=O)NCc2csc(N(C)C)n2)cn1 426538404 PUFIYWAIHIFEGL-UHFFFAOYSA-N 293.352 0.938 0 50 CCAA Fc1ccc(N2CC[C@H](NCCN3CCNCC3)C2)cc1 426435358 IEIIRHKFVBAXFV-HNNXBMFYSA-N 292.402 0.899 0 50 CCAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)NC1CCOCC1 426535188 PDZREYXUQOZNAC-GFCCVEGCSA-N 292.383 0.645 0 50 CCAA CC(C)C(=O)N1CCC(NC(=O)Cn2ccnn2)CC1 426521492 RBPCYEMXJBIJSB-UHFFFAOYSA-N 279.344 0.041 0 50 CCAA CCN(C)C(=O)CSc1nnc(CNC)n1C 426527139 ZDESQHKWUJFFHB-UHFFFAOYSA-N 257.363 0.105 0 50 CCAA Cn1nc(-c2cncc(N)c2)nc1N1CCOCC1 96163531 CAIFQBIVVSUDRZ-UHFFFAOYSA-N 260.301 0.296 0 50 CCAA COCc1cc(CN(C)C(=O)C2(C)CCNCC2)n[nH]1 96164999 OASYHRWXTOYOGL-UHFFFAOYSA-N 280.372 0.904 0 50 CCAA Cc1cc(NC(=O)CN2CC[C@@H](N(C)CCO)[C@H]2C)on1 292121858 AMMSDKRHGYIDNJ-VXGBXAGGSA-N 296.371 0.308 0 50 CCAA COCC[C@H]1COCCN1c1nccn2cnnc12 292350287 OFCYWTLNEBAIQU-JTQLQIEISA-N 263.301 0.366 0 50 CCAA C[C@@H](c1nc(-c2ccco2)nn1CC(=O)O)n1cncn1 97743462 DWZOOTWVKLNHFB-QMMMGPOBSA-N 288.267 0.824 0 50 CCAA Cc1nn(C)cc1CNC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 239248083 YACKRCOHVOEAOY-WISYIIOYSA-N 293.323 0.223 0 50 CCAA C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ncc[nH]1 385352894 CZLUWOOCNKPTNV-UWVGGRQHSA-N 270.358 0.267 0 50 CCAA CNCCCNC(=O)c1ccccc1-c1nc[nH]n1 96148286 BAOVZGSBUFQLAL-UHFFFAOYSA-N 259.313 0.811 0 50 CCAA CN(CC(=O)NC[C@@H]1C[C@H](F)CN1)Cc1ccncc1 244842320 UOMFCGOAOFOUMI-STQMWFEESA-N 280.347 0.330 0 50 CCAA NC(=O)c1ccc(OCCCN2CCC[C@@H]2C(N)=O)cc1 244794772 QTEWDCZLJAUTKG-CYBMUJFWSA-N 291.351 0.504 0 50 CCAA C[C@@H](C(=O)N1CCc2ccccc2C1)n1cnnn1 524734726 HXFLKGILBGACQY-JTQLQIEISA-N 257.297 0.819 0 50 CCAA COc1ccc([C@H]2OCC[C@@H]2NCc2cnnn2C)cn1 299744244 RHUGOACZGMZYFJ-GXTWGEPZSA-N 289.339 0.839 0 50 CCAA CC1CCC(O)(CN2CCC([C@@H](O)C(N)=O)CC2)CC1 299748786 IEABSJNWLVJYIZ-GLWUULTISA-N 284.400 0.486 0 50 CCAA CCSCC(=O)NCC1(CN2CCN(C)CC2)CC1 534658746 ZBGOLHUCHUPTFM-UHFFFAOYSA-N 285.457 0.883 0 50 CCAA CCn1nnc(=NC(=O)c2cc(C)n(C(F)F)n2)[nH]1 1940198451 VODBQMSHDDBWOH-UHFFFAOYSA-N 271.231 0.267 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1CCN(c2nc[nH]n2)CC1 299786819 XROHDPNPSPPBAX-UHFFFAOYSA-N 289.343 0.036 0 50 CCAA Cc1nn(C)c(C(=O)NC[C@H]2COCCO2)c1Cl 299795014 LNOGPNIPFUNPQH-QMMMGPOBSA-N 273.720 0.527 0 50 CCAA O=C(CCc1ccc(=O)[nH]n1)NCCC(F)(F)F 299791349 CLLVFJCEIGCPFT-UHFFFAOYSA-N 263.219 0.771 0 50 CCAA O=C(Cn1ncnn1)N1CCC[C@H]1c1nc(C2CC2)no1 299788794 VPIQNLCKIUDVPI-VIFPVBQESA-N 289.299 0.297 0 50 CCAA Cc1nccn1[C@@H](C)CC(=O)NCCCn1ccnn1 299788537 USNPMSMUBWFRLV-NSHDSACASA-N 276.344 0.941 0 50 CCAA Cc1nnc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)s1 239165178 NQNCLYCHYSUUSL-OOJXKGFFSA-N 281.293 0.439 0 50 CCAA O=C1OC[C@@H]2CN(C3CSCCSC3)CCN12 670448477 ADOSHNZNNDMIQF-VIFPVBQESA-N 274.411 0.971 0 50 CCAA COc1coc(C(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)cc1=O 1565527240 OTPCUUNVRWJQCL-IUCAKERBSA-N 292.291 0.198 0 50 CCAA CN(C)Cc1csc(CNCc2nc(O)n[nH]2)c1 952966246 VWDYFOWXNDQELN-UHFFFAOYSA-N 267.358 0.923 0 50 CCAA CN(CC(N)=O)C[C@@H]1CN(Cc2ccsc2)CCO1 275837429 VUFNYGZIWQNGBH-GFCCVEGCSA-N 283.397 0.366 0 50 CCAA C[C@H](C[C@@H](O)c1ccccc1)NC(=O)[C@H]1C[C@@H](O)CN1 276690941 VJNKPJOTUYLLCD-FMKGYKFTSA-N 278.352 0.338 0 50 CCAA CCOC1CC(O)(CNC(=O)c2ccn(C)c2)C1 277664409 JHCICOGJPOWDSY-UHFFFAOYSA-N 252.314 0.685 0 50 CCAA Cc1ncc(C(=O)N[C@]2(CCO)CCOC2)c(C)n1 278174072 SEVSAOHABNAKSR-CYBMUJFWSA-N 265.313 0.365 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@@H]2C[C@H](C)O)CC1 407967255 PTZMPTJPUMBANC-VHSXEESVSA-N 254.330 0.275 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)NCc1nnn(C)n1 408355279 RDVDIXBLLNEVAO-RKDXNWHRSA-N 253.306 0.032 0 50 CCAA Cn1ccc(C(=O)NS(=O)(=O)C[C@H]2CCCCO2)c1 408477855 HETQWOQCBBDJSR-LLVKDONJSA-N 286.353 0.654 0 50 CCAA Cc1cnccc1CN1CC[C@@H](n2cc(C(N)=O)nn2)C1 643789554 BUENTLFZOJTRJM-GFCCVEGCSA-N 286.339 0.527 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2ccc(OC)nc2)C1 643757639 RTVXBIXTNGYRBU-OAHLLOKOSA-N 293.367 0.553 0 50 CCAA CN(Cc1nc[nH]n1)C(=O)[C@]1(C(=O)O)CC=CCC1 653289393 RIYCGVKRBJTNLF-LBPRGKRZSA-N 264.285 0.574 0 50 CCAA CN(C)[C@@H]1CCN(CCn2cc(-c3cc[nH]n3)nn2)C1 656444011 SVJFRRDUKSOCEN-LLVKDONJSA-N 275.360 0.304 0 50 CCAA CC(C)O[C@@]1(Cn2cncc(F)c2=O)CCOC1 657262522 VVCKKWQAOGRSQM-GFCCVEGCSA-N 256.277 0.967 0 50 CCAA CCO[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1CO 585113766 GSTHHOBDBDXKMN-UONOGXRCSA-N 278.352 0.870 0 50 CCAA O[C@@]1(Cn2ccnn2)CCN(Cc2cnn3ccccc23)C1 794156341 RTAURTWBLCINRM-HNNXBMFYSA-N 298.350 0.563 0 50 CCAA COCCN1C[C@H](CNc2nccnc2N(C)C)CC1=O 1506428173 PHWBPVLTRIFXCT-NSHDSACASA-N 293.371 0.449 0 50 CCAA CCOCCC(=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1529195961 SQVBWURTVHKORD-KGLIPLIRSA-N 278.352 0.870 0 50 CCAA O=C(C1CCOCC1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529103609 DUQUOMAWWAXMRU-HUUCEWRRSA-N 290.363 0.870 0 50 CCAA CCn1cnnc1CCNC(=O)CNc1cccnc1 1857696006 HYNYOGBNNYDUAN-UHFFFAOYSA-N 274.328 0.464 0 50 CCAA Cn1cncc1CNCCCCN1CCC[C@@H]1CO 111386216 HEZGVOWPHJKNCI-CYBMUJFWSA-N 266.389 0.747 0 50 CCAA CCc1nc(CN2CCO[C@H](C)[C@H]2C(=N)O)no1 330560746 JPBIKXFRSIQYPK-XCBNKYQSSA-N 254.290 0.757 0 50 CCAA C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)[C@@H]1CCOC1 332961143 DZKGIWKDEDVLBX-GXSJLCMTSA-N 275.370 0.637 0 50 CCAA CCOC1(C(=O)N2CCO[C@H](C(=O)NC)C2)CCCC1 375290543 ANWCDWWJGOAGJJ-NSHDSACASA-N 284.356 0.309 0 50 CCAA NC(=O)[C@@H]1CN(c2cncc(Br)c2)CCO1 266462576 YXNBVMARDVKRGT-VIFPVBQESA-N 286.129 0.535 0 50 CCAA O=C(NC[C@@H](O)CN1CCCC1)c1cc(O)ccc1F 1772704177 GNAHJZPEFKQOGZ-LLVKDONJSA-N 282.315 0.718 0 50 CCAA CCOC(=O)c1cnn(-c2ccc3nncn3n2)c1N 14988018 MEWNWBICRQVYTF-UHFFFAOYSA-N 273.256 0.069 0 50 CCAA CCOC(=O)/C=C(\C)NNc1nc(C)cc(=O)[nH]1 16671301 LSIVEZVMDZSPHE-SOFGYWHQSA-N 252.274 0.462 0 50 CCAA O=C1[C@H]2CCCC[C@H]2C(=O)N1CN1CCOCC1 18246857 XZHZJFQCMYCOGX-PHIMTYICSA-N 252.314 0.451 0 50 CCAA CCCn1cc(C(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)c(C)n1 1857678953 NOUVFJNYBCJDAZ-CMPLNLGQSA-N 276.340 0.562 0 50 CCAA C[C@H](C(=O)N1CC[C@@H]2[C@H](C(=O)O)[C@@H]2C1)n1cccn1 721252698 WFGZODBGAHAKMO-YTWAJWBKSA-N 263.297 0.623 0 50 CCAA C[C@H](c1ccccc1F)N(C)C(=O)CN1CCNCC1=O 237403828 CYDDRPNRYGAYJB-LLVKDONJSA-N 293.342 0.777 0 50 CCAA Cc1nc2c([nH]1)CC[C@H](C(=O)n1ncc(C#N)c1N)C2 162565294 KBKSUVSOZCUQRM-QMMMGPOBSA-N 270.296 0.814 0 50 CCAA Cc1c(S(=O)(=O)NCCc2cnoc2)cnn1C 907384797 SGYNEBKLDPDYRV-UHFFFAOYSA-N 270.314 0.238 0 50 CCAA CCn1nc(C)c(CN2C[C@H](N3CCOCC3)C[C@H]2C)n1 824370699 NXSCJCLSYIXZIV-TZMCWYRMSA-N 293.415 0.901 0 50 CCAA COc1cncc(NC(=O)NCCN2CCO[C@@H](C)C2)c1 932165503 LREGDNVSEGYULF-NSHDSACASA-N 294.355 0.932 0 50 CCAA CC(C)(O)[C@@H]1CCCN1C(=O)CCN1C(=O)CCC1=O 128326260 UMWFZCVPBNDNQP-JTQLQIEISA-N 282.340 0.287 0 50 CCAA CN1CC[C@H](n2nc(CO)c(-c3ccccc3)n2)C1=O 1875290815 DRLPVQNHTZIFFQ-LBPRGKRZSA-N 272.308 0.841 0 50 CCAA Cc1cccc(CNC2(C(N)=O)CCS(=O)(=O)CC2)c1 879411294 PQBJILQVPPNYHG-UHFFFAOYSA-N 296.392 0.517 0 50 CCAA CCOC[C@H](O)Cn1nnc2cc(F)ccc2c1=O 887268604 PUTNGLPJDSDIGW-SECBINFHSA-N 267.260 0.328 0 50 CCAA O=C(O)[C@H]1Cc2ccc(O)cc2CN1S(=O)(=O)C1CC1 1774011440 PIXDXWWYYOYMGA-GFCCVEGCSA-N 297.332 0.696 0 50 CCAA CCOC[C@@H](O)CN1C(=O)[C@H]2CCCCN2C1=O 330697353 KNZGUEJOBDIJGO-VHSXEESVSA-N 256.302 0.201 0 50 CCAA C[C@H]1CCc2c(sc3c2-c2nnnn2-c2nnnn2-3)C1 613116 TWLVHSAQIXBXHP-YFKPBYRVSA-N 286.324 0.805 0 50 CCAA C[C@@H]1CNC[C@@H]1NC(=O)c1cn(C)c(=O)c2ccccc12 2325795136 HZCZJUOAVSEXHG-YGRLFVJLSA-N 285.347 0.876 0 50 CCAA C[C@@H]1C(=O)[C@@H]2C[C@@]3(C)CO[C@@]2([C@@H]3O)[C@]2(C)CC[C@]12O 2332924320 LNLIBLOQCHPJML-NFCYWOIDSA-N 266.337 0.893 0 50 CCAA Cc1cc(C)n(-c2nnc(-n3nc(C)cc3C)nn2)n1 75852 FPKOARNUITZHCF-UHFFFAOYSA-N 270.300 0.872 0 50 CCAA CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)O 258733 PGPKGVWYCBSFDJ-SNVBAGLBSA-N 273.310 0.837 0 50 CCAA aggregator COc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1 441456 VJKWMYCMJMJKSY-UHFFFAOYSA-N 289.291 0.345 0 50 CCAA CS(=O)(=O)Nc1ccccc1C(=O)N1CCOCC1 581541 RZHYGLBNXZWSSB-UHFFFAOYSA-N 284.337 0.531 0 50 CCAA CC(=O)N1c2nonc2N(C(C)=O)c2nonc21 1092788 OUVAFDIDLQSQDU-UHFFFAOYSA-N 250.174 0.135 0 50 CCAA COC(=O)CCNS(=O)(=O)c1ccc(C)cc1 1686613 GUQCJKGSHIOXFA-UHFFFAOYSA-N 257.311 0.836 0 50 CCAA C/C=C/Cn1c(=O)c2c(nc3[nH]c(C)cn32)n(C)c1=O 8791955 OCVQMKLLBRRUFE-SNAWJCMRSA-N 273.296 0.561 0 50 CCAA biogenic CCNC(=O)c1ccc(N2CCCO[C@@H](C)C2)nn1 413122418 ZQTPVCQOOHPMFS-JTQLQIEISA-N 264.329 0.842 0 50 CCAA O=C(c1ccc(Cn2ccnc2)cc1)N1CC(O)C1 225480159 RORRKQSDCQDUQC-UHFFFAOYSA-N 257.293 0.748 0 50 CCAA Cc1cc(C)n(CCN[C@H](C)CN2CCOCC2)c(=O)n1 67514715 DRAPGPNURGPHNE-CYBMUJFWSA-N 294.399 0.170 0 50 CCAA O=C(CN1CCCCC1=O)N1CCC[C@H](O)CC1 408177688 MGLOJZCTHOBUGB-NSHDSACASA-N 254.330 0.372 0 50 CCAA N=C(O)[C@]1(O)CCCN(C(=O)N2CCSCC2)C1 328586815 IAFDYPLNMKSUJU-NSHDSACASA-N 273.358 0.517 0 50 CCAA N[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccncc2)C1 72431484 HERZRNJXFUAEJM-NWDGAFQWSA-N 276.340 0.055 0 50 CCAA NC(=O)[C@H]1CN(Cc2ccccc2C(=O)O)CCO1 216376556 RLPMZSPPFMLBQC-LLVKDONJSA-N 264.281 0.071 0 50 CCAA O=C(c1ccc2oc(=O)[nH]c2c1)N1CCC[C@@H](O)C1 259138577 VKDMIJJDNHAYML-SECBINFHSA-N 262.265 0.718 0 50 CCAA CN(CC[C@@H]1CCCCN1C)C(=O)C1=NN(C)C(=O)CC1 363566262 OWEXOOCDWCBXBZ-LBPRGKRZSA-N 294.399 0.927 0 50 CCAA O=S(=O)(C1CC1)N1CCO[C@H](Cn2cccn2)C1 173139520 AHGWDTCRYJBISJ-SNVBAGLBSA-N 271.342 0.076 0 50 CCAA CO[C@H](C(=O)N[C@H]1CCO[C@H]1C1CC1)c1cnn(C)c1 332728088 HCKDLYQWOHOTSK-AVGNSLFASA-N 279.340 0.791 0 50 CCAA O=C(Nc1cccc2c1OCCO2)N[C@H]1[C@@H]2CNC[C@@H]21 333113663 GWKFGVRQGIGQGL-GDGBQDQQSA-N 275.308 0.797 0 50 CCAA C[C@@H](C(=O)N1CC(O)(C2CC2)C1)N(C)CC(F)(F)F 368450049 PBMIWRJICAQFJS-QMMMGPOBSA-N 280.290 0.852 0 50 CCAA CC1CCC(OCC(=O)N2CCOC[C@H]2C(N)=O)CC1 373590598 CWHVVEJNWLGHJH-MCIGGMRASA-N 284.356 0.294 0 50 CCAA Cc1nc2c(C(=O)N3CCCNC(=O)[C@H]3C)ccnc2[nH]1 373866032 KSYDMEPUMGEFRW-MRVPVSSYSA-N 287.323 0.617 0 50 CCAA COC[C@H]1CN(C(=O)COCc2ccnn2C)C[C@@H](C)O1 284547709 DIPURVUEFLKMNS-DGCLKSJQSA-N 297.355 0.199 0 50 CCAA O=C(C[C@@H]1COCCN1)Nc1cc(C2CCOCC2)[nH]n1 262597847 XHHLEVDDICPKRW-LLVKDONJSA-N 294.355 0.621 0 50 CCAA Cn1cnnc1SCCNC(=O)c1ccc(CO)o1 216471461 JBYLSULQXZAJJH-UHFFFAOYSA-N 282.325 0.423 0 50 CCAA COc1ccc(C(=O)NC2(C(=O)O)CCOCC2)c(O)c1 131696195 KBIGCISURHITIX-UHFFFAOYSA-N 295.291 0.764 0 50 CCAA CN(C)CC1CN(C(=O)Cn2cnc3c2CCCC3)C1 615505183 OFKDAEFHCVUDSX-UHFFFAOYSA-N 276.384 0.782 0 50 CCAA Cc1c(C(=O)O)sc2ncn(CCN)c(=O)c12 328579362 COXJMJWQCXKBGL-UHFFFAOYSA-N 253.283 0.423 0 50 CCAA CCc1nc(CC)n(Cc2nc(N(C)C)no2)n1 289437867 STSDBHMPWXAMJT-UHFFFAOYSA-N 250.306 0.900 0 50 CCAA CO[C@H]1[C@H](O)[C@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]12 223742523 KCXVHILKGUDBTH-BYGOPZEFSA-N 296.319 0.848 0 50 CCAA Nc1nnc(CNC(=O)COC[C@H]2CCCCO2)s1 223216732 ZTEYTEKDRKYUCI-MRVPVSSYSA-N 286.357 0.322 0 50 CCAA O=C(Nc1cnns1)N1CCN(c2cnccn2)CC1 190780587 WEOHVZZSFWGILQ-UHFFFAOYSA-N 291.340 0.682 0 50 CCAA C[C@H]1C[C@@H](C)C[C@H](C(=O)NCCOCC(N)=O)C1 239667601 BQPDXZLFUSUWTQ-URLYPYJESA-N 256.346 0.677 0 50 CCAA Nc1nc([C@H]2CCOC2)cc(N2CCC(CO)CC2)n1 426428411 VHDXGTKXVDHJFE-NSHDSACASA-N 278.356 0.771 0 50 CCAA CN(Cc1n[nH]c2c1CCCCC2)C[C@@H](O)CO 97713636 NENYMKIRUSRJHC-SNVBAGLBSA-N 253.346 0.464 0 50 CCAA CN1CCCC[C@H]1CCC(=O)NCCc1ncnn1C 95384781 MGZCXTGHPQWHHB-LBPRGKRZSA-N 279.388 0.738 0 50 CCAA C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCOC[C@H](O)C1 295588308 MIKHBRWVLXNANM-WDEREUQCSA-N 289.335 0.827 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CC(=O)N1 296001182 KQPXCPMGTZTLKW-MRVPVSSYSA-N 294.336 0.072 0 50 CCAA O=C(COC[C@H]1CCCO1)NCCc1nccs1 240971678 UAXFLTMWNHMEIC-SNVBAGLBSA-N 270.354 0.997 0 50 CCAA CC(C)N1CC[C@@H](CN(C)CCn2cc[nH]c2=O)C1 252478841 AVTLEBVBJZUWRE-ZDUSSCGKSA-N 266.389 0.839 0 50 CCAA C[C@]1(C(=O)NC2CCN(CC(N)=O)CC2)CCCCO1 534648531 LZWKBPWKSSKPHG-CQSZACIVSA-N 283.372 0.012 0 50 CCAA C#Cc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 207027901 XDGQKMCRWMQCTQ-LBPRGKRZSA-N 268.272 0.429 0 50 CCAA NC1(CC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CCC1 237990045 SXVPAYMRDUDYBT-RYUDHWBXSA-N 268.357 0.664 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)c1[nH]nnc1C 534661259 VVZVMXKMAIHBLR-QMMMGPOBSA-N 263.305 0.606 0 50 CCAA CC(C)c1cc(CN(C)C(=O)CN2C(=O)CNC2=O)no1 299799992 YKVMAJJOJPSRFY-UHFFFAOYSA-N 294.311 0.308 0 50 CCAA CC(C)(C)c1cc(CNC(=O)CN2CCC[C@@H](O)C2)[nH]n1 299765520 HSYIVGDQVHDELZ-GFCCVEGCSA-N 294.399 0.780 0 50 CCAA NC(=O)Cc1n[nH]c(Cc2ccc3c(c2)OCO3)n1 826841997 HNMFNWNCAMJLOL-UHFFFAOYSA-N 260.253 0.152 0 50 CCAA Cc1csc(S(=O)(=O)N2CC[C@H](O)[C@H](O)C2)c1 828895275 VEYCTRDVYDKGDY-DTWKUNHWSA-N 277.367 0.173 0 50 CCAA CSCCN1CCN(C(=O)[C@H](O)CC(C)C)CC1 670462197 PODDTHGVIQAHDM-GFCCVEGCSA-N 274.430 0.901 0 50 CCAA O=C(C1CCN(CCc2ncc[nH]2)CC1)N1CCOCC1 670457169 RDIXJCNFXYHHOO-UHFFFAOYSA-N 292.383 0.523 0 50 CCAA CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccco2)C1 685940942 LDGJSZCCBZHNJP-IUCAKERBSA-N 280.280 0.331 0 50 CCAA C[C@H](NC(=O)Cn1cc(C(C)(C)O)nn1)c1ccco1 132642953 OZWNQCHVDFSEDM-VIFPVBQESA-N 278.312 0.976 0 50 CCAA Cc1nnc(CC(=O)Nc2c(C(N)=O)n[nH]c2C(C)C)o1 1362556565 DOVDSNFDUCKNTR-UHFFFAOYSA-N 292.299 0.505 0 50 CCAA CC1(CC(=O)NC[C@]2(C(=O)O)C[C@@H]2S(C)(=O)=O)CC1 1593997215 HNBMTEFUZFGHNF-QPUJVOFHSA-N 289.353 0.181 0 50 CCAA CC(C)N(C)C(=O)[C@H](C)N1CCn2c(O)nnc2C1 408309282 LLNDWTXMGJOBJU-VIFPVBQESA-N 267.333 0.055 0 50 CCAA Cc1ccc(OCCNC(=O)[C@H]2C[C@@H](O)CN2)cc1 269186021 HCACXSAPQNMSBG-DGCLKSJQSA-N 264.325 0.213 0 50 CCAA CC(C)CN1CCC(NCCS(=O)(=O)N(C)C)CC1 67981707 IXRLWQNWPIDTQS-UHFFFAOYSA-N 291.461 0.588 0 50 CCAA CC(C)(C)OC(=O)[C@@]1(C(=O)NCCCCO)CCCO1 585120699 CMOMNYHVTBUOLB-AWEZNQCLSA-N 287.356 0.766 0 50 CCAA Cc1csc(CN(C)C(=O)[C@@H](N)CCCNC(N)=O)n1 1506405012 UEPQKPYVHACSKC-VIFPVBQESA-N 299.400 0.186 0 50 CCAA Cc1c(NC(=O)c2cnn3ccn(C)c23)cnn1C 1529141461 DOVWZUJQGMUXNZ-UHFFFAOYSA-N 258.285 0.967 0 50 CCAA O=C(O)C[C@@H]1CN(c2cc(C(F)(F)F)ncn2)C[C@H]1O 1857719001 CKNYNQYASDQFBO-RNFRBKRXSA-N 291.229 0.767 0 50 CCAA CC(=O)N1CCN(C[C@H]2CCC(=O)N(C)C2)CC1 1800409643 JAOTXHHFXAMXPV-LBPRGKRZSA-N 253.346 0.019 0 50 CCAA CN(CC(=O)NC1CC1)Cc1ncc(Br)cn1 931871548 MIBUJXSALUUCJZ-UHFFFAOYSA-N 299.172 0.950 0 50 CCAA Cc1cc(F)c(S(=O)(=O)NC2CNC2)cc1F 237655646 CDFJXFRVJKOANV-UHFFFAOYSA-N 262.281 0.523 0 50 CCAA C[C@H](CC(=O)O)NS(=O)(=O)c1cccc2c1OCO2 337973062 GJVZMTAAWYUWOH-SSDOTTSWSA-N 287.293 0.557 0 50 CCAA COCC1(S(=O)(=O)NCc2ccnc(OC)c2)CC1 253430240 QDXGSUIEZOMATK-UHFFFAOYSA-N 286.353 0.689 0 50 CCAA Cc1nnnn1CCC(=O)N1CCC(C2(O)CC2)CC1 1772809506 CPESXNKPIMOXMV-UHFFFAOYSA-N 279.344 0.135 0 50 CCAA CCCCN1C[C@H](C(=O)N2CCOCC2)CC1=O 16552605 ZVMMBIHNBHFWCR-LLVKDONJSA-N 254.330 0.494 0 50 CCAA O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCc2ncnn2C1 1857738424 HKUBZZCUNCSNNU-SECBINFHSA-N 286.339 0.369 0 50 CCAA CN1CC[C@@H](NC(=O)Cc2cnnn2C)[C@@H]1c1ccccc1 613056466 GIOHUMCHLTXBAX-ZBFHGGJFSA-N 299.378 0.919 0 50 CCAA NC1(C(=O)N=c2ccn([C@@H]3CCNC3)[nH]2)CCCCC1 515124407 AXCXDKXGMHAAJO-LLVKDONJSA-N 277.372 0.440 0 50 CCAA CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 663220298 HREQTWMDNYGVBB-LLVKDONJSA-N 292.387 0.338 0 50 CCAA CC(C)C[C@H](CN)CC(=O)OCCN1CCNC1=O 585123457 UXDKVMXUJMZXJA-NSHDSACASA-N 271.361 0.566 0 50 CCAA NS(=O)(=O)C[C@@H]1CCCCN1Cc1ccon1 931229345 QJTVLOFNILZBAF-JTQLQIEISA-N 259.331 0.318 0 50 CCAA C[C@@H](C(=O)NCCN1CCNC1=O)n1cccc1 1119604711 KIULQUVMJRHREH-JTQLQIEISA-N 250.302 0.191 0 50 CCAA COc1ccc(S(=O)(=O)N(C)OC)cc1CC(=O)O 871792138 YMVSBYJRGNSLQW-UHFFFAOYSA-N 289.309 0.504 0 50 CCAA CCn1ncc(S(=O)(=O)NCc2csc(C)n2)n1 1875288443 DNRVWSNPIHRPDN-UHFFFAOYSA-N 287.370 0.541 0 50 CCAA O=C(N[C@@H](CO)c1ccccc1)[C@H]1CCn2ncnc2C1 1875283495 UOTQGBGHUVXQJD-STQMWFEESA-N 286.335 0.690 0 50 CCAA C[C@H]1COCCN1c1ccnc(N2CCOC[C@@H]2C)n1 891753740 FYBKFNGSDFSCPT-RYUDHWBXSA-N 278.356 0.927 0 50 CCAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1c1cnccn1 1775956949 FAIOPKNCMYHKNS-UWVGGRQHSA-N 290.327 0.760 0 50 CCAA O=C(NOC1CCOCC1)c1cnc2n(c1=O)CCS2 1320404293 VUFNKWQJWQEVDT-UHFFFAOYSA-N 297.336 0.189 0 50 CCAA NC(=O)[C@@]1(O)CCCN(C(=O)CC2=CCCCC2)C1 285623499 SKEJKKMKJJVBHB-CQSZACIVSA-N 266.341 0.716 0 50 CCAA CC[C@H]1C(=O)NCCN1c1nc(N)nc(C(C)(C)C)n1 312391689 ORBNWBKJAHXFCN-QMMMGPOBSA-N 278.360 0.466 0 50 CCAA OC[C@H]1CN(c2ncnc3ccccc23)CC[C@H]1O 396811685 PRUKGVHBLXXSCX-ZWNOBZJWSA-N 259.309 0.809 0 50 CCAA Cc1c(F)cccc1NC(=O)c1cc(=O)n(C)c(=O)n1C 1425232 NZHVXPHFDCZUPH-UHFFFAOYSA-N 291.282 0.784 0 50 CCAA COc1cc(CC(=O)O)ccc1OS(=O)(=O)O 22060236 IACOAKYXFIWAQN-UHFFFAOYSA-N 262.239 0.504 0 50 CCAA endogenous,in-man NC[C@@H]1CN(c2nc(Cc3ccc(F)cc3)no2)CCO1 2325752846 SHWPXAQTNZSQRP-GFCCVEGCSA-N 292.314 0.963 0 50 CCAA O=C(N=c1cns[nH]1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 2325781532 CIJMZBQWGMCGBL-JIGDXULJSA-N 254.315 0.480 0 50 CCAA NC(=O)c1ccccc1NC(=O)CSc1ncn[nH]1 4776625 JAOOUIFYVAPKER-UHFFFAOYSA-N 277.309 0.634 0 50 CCAA NC(=O)CSc1nnc(C2CC2)n1C[C@H]1CCCO1 6699148 UPXWNKHFFGUNQB-SECBINFHSA-N 282.369 0.912 0 50 CCAA Cc1n[nH]c(SCC(=O)NCCCN2CCOCC2)n1 55404787 VTXVMWSEQPPFPZ-UHFFFAOYSA-N 299.400 0.044 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)O)[C@H]2C1 110915522 ZMNHADCKOZUFOT-HRDYMLBCSA-N 257.286 0.953 0 50 CCAA O=C(CCc1cccnc1)N1Cc2cnn(CCO)c2C1 67691610 JLWJCFQIIJYBMC-UHFFFAOYSA-N 286.335 0.745 0 50 CCAA O=c1[nH]cccc1S(=O)(=O)N1CCCCCC1 67172388 RIIQIZXGQPPEMP-UHFFFAOYSA-N 256.327 0.940 0 50 CCAA Cc1cc(C(=O)NCCCn2ccccc2=O)on1 60791913 ATUMLVBHOCDKDD-UHFFFAOYSA-N 261.281 0.965 0 50 CCAA C[C@H](NC(=O)c1cnc(Cl)cn1)[C@H](C)C(=O)O 230070044 HCOMGZIOYMVGNO-WDSKDSINSA-N 257.677 0.969 0 50 CCAA CCOC(=O)c1cccnc1N1CCN2CCOC[C@H]2C1 328587328 BSTKATMQDOZVQF-GFCCVEGCSA-N 291.351 0.779 0 50 CCAA COC[C@H](C)C(=O)N1CCO[C@H](CN(C)CC2CC2)C1 328628210 GZKDBZNRZGXHIM-GXTWGEPZSA-N 284.400 0.838 0 50 CCAA CCCc1nc(CS(=O)(=O)[C@H](C)[C@@H](C)O)no1 330928696 XTUIAWNHIFWJTA-HTQZYQBOSA-N 262.331 0.706 0 50 CCAA Cc1nc(CC(=O)NCCN(C)S(C)(=O)=O)cs1 72478559 QMLNCYBUQKLUMX-UHFFFAOYSA-N 291.398 0.002 0 50 CCAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cn[nH]c1 215200201 KRUKHAZWPYFILJ-CYBMUJFWSA-N 278.356 0.783 0 50 CCAA CNc1nc(C)c(C(=O)N2CCOC[C@H](O)C2)s1 77522833 HKPGYQTYLKMGMZ-MRVPVSSYSA-N 271.342 0.327 0 50 CCAA CCCc1cc(C(=O)NC[C@]2(O)CCNC2)ccn1 72151616 XHJWPOVHEXOFAP-AWEZNQCLSA-N 263.341 0.488 0 50 CCAA CCOc1cc(C(=O)N2CC[C@@](O)(C(N)=O)C2)ccc1C 376103918 SYDXKFZLEDQFRL-HNNXBMFYSA-N 292.335 0.456 0 50 CCAA Cn1c(=O)n(CCS(C)(=O)=O)c2ccccc21 132877205 NOXGGUZEIDQQFW-UHFFFAOYSA-N 254.311 0.385 0 50 CCAA CN(C)C[C@]1(CO)CCCN(C(=O)c2cncc(F)c2)C1 426612837 LAPGVNRVYVWURQ-OAHLLOKOSA-N 295.358 0.997 0 50 CCAA O=C(c1cnc(C2CC2)[nH]c1=O)N1CC[C@H]2CNC[C@H]21 82162122 BEOWOEZLJHZABU-GXSJLCMTSA-N 274.324 0.081 0 50 CCAA Cc1ncc(CO)c(CN2C[C@@H]3CC[C@H](C2)[C@H]3N)c1O 426425513 VECHYZJOBWVSGO-GNXNZQSNSA-N 277.368 0.757 0 50 CCAA CC(C)[C@H](CC(=O)O)NC(=O)CN1CCCN(C)CC1 426699866 DMFRUNAKSGUGJG-LBPRGKRZSA-N 285.388 0.239 0 50 CCAA O=C(O)[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CO)C1 97446880 VUNOQUSJILLQPV-CYBMUJFWSA-N 292.335 0.024 0 50 CCAA Cc1nccc(C2CCN(C(=O)CS(C)(=O)=O)CC2)n1 426477647 BUBKKDLQXVZVQA-UHFFFAOYSA-N 297.380 0.536 0 50 CCAA COc1ccc([C@@H]2CN(CC(=O)O)C[C@H]2NC(C)=O)cc1 91657092 OPMCFOGXTGJFHP-UONOGXRCSA-N 292.335 0.684 0 50 CCAA CC(C)n1ccc(C(=O)NCCCc2cnn(C)n2)n1 293839157 HDRMQFBYEDCBBG-UHFFFAOYSA-N 276.344 0.955 0 50 CCAA CCOC(=O)C1CCN([C@@H]2C[C@@H](C(=O)OC)C[C@H]2O)CC1 239782580 CPKFIAQAMFUTGG-JHJVBQTASA-N 299.367 0.574 0 50 CCAA CCc1cc(N[C@H]2CC(=O)N(CCOC)C2)ncn1 95378100 QKZOSZCPKKVUSV-NSHDSACASA-N 264.329 0.698 0 50 CCAA Cc1ncoc1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 252553267 VIVHQLBZQQOBCV-WCQGTBRESA-N 290.323 0.959 0 50 CCAA Cc1cc(O)nc(CNC(=O)COC[C@@H]2CCCCO2)n1 253536475 GHEXZLLKJVEKPQ-NSHDSACASA-N 295.339 0.693 0 50 CCAA COc1c(CN2C[C@H](F)C[C@H]2C(N)=O)c(C)nn1C 299742673 IGGMVPHVFVDRSJ-SCZZXKLOSA-N 270.308 0.135 0 50 CCAA OC[C@H]1CN(c2ncccn2)C[C@H]1CN1CCCC1 91391172 RHBGIDVDQUOPOF-CHWSQXEVSA-N 262.357 0.617 0 50 CCAA Cc1nc(O)c2c(n1)CN(C(=O)CCc1cnn(C)c1)C2 299758131 CXHBBDXDBMTPLL-UHFFFAOYSA-N 287.323 0.699 0 50 CCAA CC(C)C[C@H](NC(=O)Nc1cccnc1O)C(N)=O 299797704 CALQUMRTJFCSTF-VIFPVBQESA-N 266.301 0.809 0 50 CCAA CCS(=O)(=O)NC[C@H](C)N1CCCN(C(C)C)CC1 823412861 WUPOFXUAPJZWFY-ZDUSSCGKSA-N 291.461 0.730 0 50 CCAA CNC(=O)CCC(C)(C)NS(=O)(=O)N1CCCC1 823819904 YITWBGQMNRQKPD-UHFFFAOYSA-N 277.390 0.221 0 50 CCAA CN1CCCNC(=O)C12CCN([C@@H]1CCSC1)CC2 584887702 XTAVMUZAHSBCKW-GFCCVEGCSA-N 283.441 0.778 0 50 CCAA COc1cccc2ncn(C[C@@H]3CNCCO3)c(=O)c12 670444983 ZCSITLUDZMWOHC-JTQLQIEISA-N 275.308 0.394 0 50 CCAA CCN(CCn1cccn1)C(=O)N[C@@H](C)C(=O)O 670453621 DQIUGZVEUNPWPJ-VIFPVBQESA-N 254.290 0.388 0 50 CCAA C[C@@H](O)CN1CCCN(C(=O)[C@]2(F)CCOC2)CC1 981821613 OYEUJQPQMKDNPF-YPMHNXCESA-N 274.336 0.030 0 50 CCAA C=CC(=O)NCCC(=O)NCc1nn(C)cc1Cl 1449838307 IABRIVQSBPSBIZ-UHFFFAOYSA-N 270.720 0.382 0 50 CCAA CCC(CC)(CO)CN(C)C(=O)CCn1nnnc1C 952984961 ZHTCEZHDDTVPIP-UHFFFAOYSA-N 283.376 0.629 0 50 CCAA COCc1cc(CNC(=O)c2c[nH]c(C)cc2=O)[nH]n1 952983779 QQYVLVPSQVUREI-UHFFFAOYSA-N 276.296 0.483 0 50 CCAA CC1=C(C(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)OCCO1 952989728 TVQLCLNNCQRYST-URLYPYJESA-N 253.298 0.779 0 50 CCAA C[C@@H]1CNCC[C@@H]1NS(=O)(=O)CCOc1ccccc1 1565515472 CAHIJIJDQHICSC-OCCSQVGLSA-N 298.408 0.983 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)CC1CCNCC1 1565516963 AEQSKSBYXGDCHA-RYUDHWBXSA-N 265.357 0.312 0 50 CCAA Cc1csc(CN2CC[C@H](S(N)(=O)=O)C2)n1 407948913 LXPBCKWNCZWXMD-QMMMGPOBSA-N 261.372 0.314 0 50 CCAA COCc1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)o1 192842355 SYPAYZZZXUBPSD-GFCCVEGCSA-N 287.337 0.733 0 50 CCAA CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccncn2)C1 194178948 GZKLMSNSMCKKAU-LBPRGKRZSA-N 293.371 0.955 0 50 CCAA O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@H]1C(F)(F)F 585125738 DISXNYPAFJOAPQ-XPUUQOCRSA-N 287.259 0.168 0 50 CCAA Cc1cc(COCC(=O)N[C@@H]2CCNC23CCC3)no1 1614948076 SYORDDBOOSGDFO-GFCCVEGCSA-N 279.340 0.900 0 50 CCAA CC(C)NC(=O)CN1CCC(O)(CN2CCCCC2)CC1 1616036456 VXUCHAIVRZEAPF-UHFFFAOYSA-N 297.443 0.824 0 50 CCAA C=CS(=O)(=O)CCN1CCO[C@@]2(CCO[C@H]2C)C1 1616035103 KXSUJUCNRAMZGS-RYUDHWBXSA-N 275.370 0.425 0 50 CCAA CN(CC[C@H]1CCCCO1)C(=O)CCNS(C)(=O)=O 1506408760 ZVJWCBZXXXKJBD-LLVKDONJSA-N 292.401 0.343 0 50 CCAA Cc1cn(C)[nH]c1=NC(=O)Nc1cnn(CCF)c1 626616840 FWKTWNCBKMMQTO-UHFFFAOYSA-N 266.280 0.960 0 50 CCAA CS(=O)(=O)Nc1nnc(-c2ccccn2)s1 130123830 NNIORNNJFQSMCO-UHFFFAOYSA-N 256.312 0.972 0 50 CCAA Cc1noc(CCCC(=O)N2C[C@H](C)N[C@@H](C)C2)n1 154084923 SYGDLQYFRFPTRP-UWVGGRQHSA-N 266.345 0.910 0 50 CCAA O=C(NCC(=O)N1CCC[C@H]1C1(O)CC1)c1ccccc1 1772806675 IBEYLGDRAGKUNA-ZDUSSCGKSA-N 288.347 0.932 0 50 CCAA COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(N)c1 15108676 RXFDXIFPRTXTRS-LLVKDONJSA-N 284.337 0.595 0 50 CCAA Nc1cncc(N2CCCN(c3ncccn3)CC2)n1 1857679958 CAMCJTBOGSYRGL-UHFFFAOYSA-N 271.328 0.566 0 50 CCAA CC1=C(C(N)=O)[C@@H](c2cccnc2)N2N=CNC2=N1 71263 DGTNECAYQHOIFZ-SNVBAGLBSA-N 256.269 0.100 0 50 CCAA C[C@@H]1CN2C[C@@H](NC(=O)c3cn[nH]c3)C[C@H]2CO1 1875240555 BGMCQHDWUCSBOR-MIMYLULJSA-N 250.302 0.001 0 50 CCAA CCc1ccnc(NC(=O)CNC(=O)N(C)C)c1 1875241708 YNHAYPGXQVABDK-UHFFFAOYSA-N 250.302 0.854 0 50 CCAA O=C(c1snnc1C1CC1)N1CCn2ncnc2C1 329574555 NUIKAVKHZSCQAP-UHFFFAOYSA-N 276.325 0.663 0 50 CCAA NC(=O)c1csc(C(=O)N2CCC[C@H](C(=O)O)C2)c1 136162994 QLMVBFQZSAVXIP-ZETCQYMHSA-N 282.321 0.784 0 50 CCAA O=C([C@@H]1CCCc2c[nH]nc21)N1CC(=O)N(C2CC2)C1 365778221 OSAJAKVRPDRWNN-LLVKDONJSA-N 274.324 0.620 0 50 CCAA C[C@@H](N)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 261901517 ZAMCYOQBQDPHPP-CHWSQXEVSA-N 293.411 0.975 0 50 CCAA CC[C@H](O)[C@@H](C)C(=O)N1CCC(c2nnc(O)o2)CC1 822566701 JYKQXCFHSNXASJ-SCZZXKLOSA-N 283.328 0.888 0 50 CCAA CC1=NO[C@@](C)(C(=O)N2CCN(C3CC3)C(=O)C2)C1 928996570 WGPFDHNDJOXTNO-CYBMUJFWSA-N 265.313 0.375 0 50 CCAA C=CC(=O)N(C)CC(=O)NCCc1ccc2c(c1)CCO2 859393805 LVVMXOLDNMDIGV-UHFFFAOYSA-N 288.347 0.925 0 50 CCAA C=CC(=O)NCCC(=O)NC(C)(C)C(=O)OC(C)(C)C 863376375 YKERKVHFMXKEQJ-UHFFFAOYSA-N 284.356 0.915 0 50 CCAA CCn1cnc(C(=O)NCc2c[nH]nc2[C@@H]2CCNC2)c1 952850364 LPZZMCDWHSELDM-SNVBAGLBSA-N 288.355 0.633 0 50 CCAA CN(CC1(O)CCC1)S(=O)(=O)N1CCCCC1 408216305 TZINDPGQEOJFKK-UHFFFAOYSA-N 262.375 0.564 0 50 CCAA C[C@@H](O)[C@H]1CN(C(=O)C2(C(=O)O)CCCCC2)CCO1 1875292621 NZIUGIXSDODVBV-GHMZBOCLSA-N 285.340 0.630 0 50 CCAA CN(C(=O)c1cccc2ccnn12)C1CS(=O)(=O)C1 1875295871 SUIPBEQIAFXBLM-UHFFFAOYSA-N 279.321 0.203 0 50 CCAA CCOc1ccnc(N2CCS(=O)(=O)C(C)(C)C2)n1 1875275384 IBFIKMGVWSZYEX-UHFFFAOYSA-N 285.369 0.889 0 50 CCAA CN1CCc2ncnc(N3CCn4ncnc4C3)c2C1 1875261685 QCEHQBLXWIBSHI-UHFFFAOYSA-N 271.328 0.076 0 50 CCAA Cc1ccc2cccc(C(=O)N[C@H]3CCNC[C@@H]3O)c2n1 1875327422 VWEIKNAPWBXDFH-KBPBESRZSA-N 285.347 0.996 0 50 CCAA C=CC(=O)NCC(=O)N1c2ccccc2C[C@H]1CO 1875302770 GRPYUTBABGEHPX-NSHDSACASA-N 260.293 0.239 0 50 CCAA COCc1nc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)cs1 263331954 QCXKWXRJZJDVOS-KNVOCYPGSA-N 270.310 0.883 0 50 CCAA COC(=O)[C@@H]1COCCN1C(=O)c1ccc(C)c(O)c1 166368487 ZVOOEMUHMYUWGM-NSHDSACASA-N 279.292 0.715 0 50 CCAA Cc1cc(C)c(C(=O)N2CCOC[C@H](CO)C2)c(=O)[nH]1 77553482 NMQIAEVPKBSGDX-NSHDSACASA-N 280.324 0.073 0 50 CCAA O=C(C=C1CCC1)NC1CCN([C@@H](CCO)C(=O)O)CC1 2325796719 GXSZBGBJTNOQHO-ZDUSSCGKSA-N 296.367 0.513 0 50 CCAA N[C@@]12CCOC[C@@H]1CN(C(=O)c1ccn3cncc3c1)C2 2325809141 JPCGTCCZVVVLRM-SWLSCSKDSA-N 286.335 0.524 0 50 CCAA O=C(CSc1ncnc2[nH]cnc12)NCCF 2325815498 QMJPMOVETKAGRD-UHFFFAOYSA-N 255.278 0.531 0 50 CCAA CCNc1nc(N)nc(Oc2ccc(OCC)nn2)n1 2878013 HDNKWBVUAPOQCJ-UHFFFAOYSA-N 277.288 0.867 0 50 CCAA O=S(=O)(C1CC1)N1CCS[C@@H]2COCC[C@H]21 247289314 UCBQLUOPOGRCJK-NXEZZACHSA-N 263.384 0.685 0 50 CCAA CC1[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1n1c(=O)n(C)c(=O)n12 101003766 VMTVTWHTAWZXPN-OSTYVCCYSA-N 259.309 0.821 0 50 CCAA CCn1c(C)nnc1SCCN1C[C@@H](C(=O)O)CC1=O 65407571 HYGPSOGYJPCRHV-VIFPVBQESA-N 298.368 0.632 0 50 CCAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)N1CCOCC1 250885909 WLQTXQUTGJVZDU-UPJWGTAASA-N 296.367 0.563 0 50 CCAA CCCCCC(=O)NC[C@@H]1CN(C(C)=O)CCO1 67975701 CDDNQXOLKCJJOS-GFCCVEGCSA-N 256.346 0.930 0 50 CCAA CN1C[C@H](NC(=O)c2cn3cc(Cl)ccc3n2)CC1=O 20295222 KVSGYWVUQAPZQN-SECBINFHSA-N 292.726 0.948 0 50 CCAA C[C@@H](O)c1cccc(N2Cc3cnn(CCO)c3C2)n1 67910295 BRHKXZYVHSEDKP-SNVBAGLBSA-N 274.324 0.844 0 50 CCAA CC(C)(C)NC(=O)CN1CCN(CC[C@H]2CCOC2)CC1 1506421772 JRNSFQDXMJVHCI-AWEZNQCLSA-N 297.443 0.945 0 50 CCAA CO[C@H](C)CC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328637338 VWRXKUOUKIBRKY-MNOVXSKESA-N 266.345 0.650 0 50 CCAA Cc1ccc(C(=O)N2Cc3cnn(CCO)c3C2)n1C 215248272 SOZWYGCLKXESSE-UHFFFAOYSA-N 274.324 0.678 0 50 CCAA CCN1CC[C@H]2OCCN(C(=O)c3cncnc3)[C@H]2C1 329393977 UYWNTJWZHODYLO-QWHCGFSZSA-N 276.340 0.412 0 50 CCAA O=C(c1cnsn1)N1CCC(N2CCC[C@@H](O)C2)CC1 72148265 GKSSQPUUXQBTHO-LLVKDONJSA-N 296.396 0.599 0 50 CCAA CCCn1nccc1C(=O)N1CCC[C@](O)(CN(C)C)C1 72148475 QYHDLMWEYAQHKI-HNNXBMFYSA-N 294.399 0.822 0 50 CCAA CCN(C)[C@H]1CN(C(=O)CCc2scnc2C)C[C@@H]1O 72423175 CQUADNYZIMIWAS-RYUDHWBXSA-N 297.424 0.908 0 50 CCAA COc1cc(N2CCOC[C@H](CN(C)C)C2)ncn1 72141752 TUMSCHFQELPBFX-LLVKDONJSA-N 266.345 0.500 0 50 CCAA O=C([C@@H]1CCCCO1)N1Cc2cnn(CCO)c2C1 216021117 ULKPNZULFRGROK-LBPRGKRZSA-N 265.313 0.287 0 50 CCAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cn2c(n1)CNCC2 72144944 FXWXPXDZMRNLEP-DZGCQCFKSA-N 298.346 0.374 0 50 CCAA CN(Cc1cn[nH]c1C(=O)O)CC1CCOCC1 216416762 HTSXAXKLDFGYOA-UHFFFAOYSA-N 253.302 0.966 0 50 CCAA COC(=O)C1(C(=O)OC)[C@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]2[C@@H]6[C@H]1[C@H]53 239386714 QCFWGUDMZFEZIB-NXZJKRJHSA-N 274.316 0.953 0 50 CCAA O=C(NCCCn1cncn1)[C@H](O)C1CCCCC1 222822899 UKVWZJYMSXUHIC-GFCCVEGCSA-N 266.345 0.726 0 50 CCAA CC(=O)NCC(=O)NCCc1nccc(-c2ccccc2)n1 222644086 UWYLUCIQHGQOQJ-UHFFFAOYSA-N 298.346 0.938 0 50 CCAA Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c(=O)n(C)c1C 426526296 UAJYRYWKVFQOJT-GDNZZTSVSA-N 290.319 0.405 0 50 CCAA CCN(Cc1noc(C)n1)C(=O)C1CCN(C(C)=O)CC1 223789116 TZXKTDNHMKMTQE-UHFFFAOYSA-N 294.355 0.985 0 50 CCAA O=C1NC(=S)NC(=O)C1=C1OC(=O)c2ccccc21 334160387 CLQGSEUSAGWDOE-UHFFFAOYSA-N 274.257 0.099 0 50 CCAA O=C(O)[C@H]1CCCCN1C(=O)CCc1cnccn1 426472634 FCWCQWIUAKCWIF-LLVKDONJSA-N 263.297 0.875 0 50 CCAA CO[C@H]1CNC[C@@H]1NC1CC(C)(C)NC(C)(C)C1 426420051 MUYLNNDKOVZUAF-RYUDHWBXSA-N 255.406 0.872 0 50 CCAA CNCc1nnc(SCc2nc(CCOC)no2)n1C 426369191 MXWKPWGLOWSHLI-UHFFFAOYSA-N 298.372 0.399 0 50 CCAA CCc1cc(NC2CCN(CCO)CC2)ncn1 95375999 GQYWWEUASUDUSO-UHFFFAOYSA-N 250.346 0.908 0 50 CCAA CNC(=O)c1noc(Cn2ccc3ncccc3c2=O)n1 95379555 PBUSLGSDGHXPAB-UHFFFAOYSA-N 285.263 0.187 0 50 CCAA CC(C)N1CCCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 341630562 FQPVTXONBIPUQC-HNNXBMFYSA-N 297.443 0.897 0 50 CCAA Cn1cc([C@H](NC(=O)c2nccn2C)[C@H]2C[C@@H](O)C2)cn1 244678413 ICFPOCCSWSJGHZ-ADEWGFFLSA-N 289.339 0.396 0 50 CCAA CN1C[C@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O 604419499 BFODTSXBHWCRRD-SSDOTTSWSA-N 280.353 0.584 0 50 CCAA Cn1c(O)ncc(C(=O)Nc2ccc3n[nH]cc3c2)c1=O 435139852 QIMXEYPGCUWVDJ-UHFFFAOYSA-N 285.263 0.615 0 50 CCAA C[C@H]1CN(C(=O)NCC(C)(C)c2ccccn2)CC(=O)N1 297444088 BDSUNMLTABJKGR-NSHDSACASA-N 290.367 0.889 0 50 CCAA CN(C)C(=O)c1ccc(CNC(=O)c2cnc(N)s2)o1 534631839 CENFZEMXHOZCSX-UHFFFAOYSA-N 294.336 0.950 0 50 CCAA CC(C)c1cc(NC(=O)NCc2n[nH]c(N)n2)n(C)n1 299777902 ODGWLECHVYIEEH-UHFFFAOYSA-N 278.320 0.566 0 50 CCAA CN(C)C[C@@](C)(O)c1ccc2c(c1)CNCCO2 299767108 CQOHRAJIULTSLL-CQSZACIVSA-N 250.342 0.938 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2)CN1 299798924 UOMOMYCPAZNKLE-QWRGUYRKSA-N 282.727 0.973 0 50 CCAA Cn1cc(C(=O)NCCc2noc(C3CC3)n2)ccc1=O 299776094 NJHRRDYWTFYGFN-UHFFFAOYSA-N 288.307 0.618 0 50 CCAA CO[C@H]1COC[C@@H]1NS(=O)(=O)CC1CCCC1 824506860 WEXCMJABSVKLAU-QWRGUYRKSA-N 263.359 0.510 0 50 CCAA C[C@H](CCn1cnc2cccnc2c1=O)N1CCOCC1 584900075 IKYZKYIGKJGHJF-GFCCVEGCSA-N 288.351 0.902 0 50 CCAA COCCn1cnnc1CNC(=O)[C@H](C)n1cccc1 584900319 BTKFITCOSLULCS-NSHDSACASA-N 277.328 0.603 0 50 CCAA CCc1cc(N2CCN(CCn3cnnc3)CC2)ncn1 670463629 FWLQNNXFPVLJOF-UHFFFAOYSA-N 287.371 0.453 0 50 CCAA O=C1CC[C@H](CC(=O)N2CCN(c3nccs3)CC2)N1 1362898848 FWLOZGYBINRFFC-SNVBAGLBSA-N 294.380 0.460 0 50 CCAA OC[C@@H]1CCN(Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1O 1565510396 SOOPYPRZHJQGJS-GWCFXTLKSA-N 277.324 0.845 0 50 CCAA CC(C)(CN1CCOCC1)CN1C[C@@H](O)[C@H](F)C1 952969284 MWYVRUDHTCQCBZ-VXGBXAGGSA-N 260.353 0.359 0 50 CCAA Cc1ncnc(N2CCN(C(=O)[C@H]3C=CCN3)CC2)c1C 952970112 NYGSUDHYXGBWPJ-CYBMUJFWSA-N 287.367 0.270 0 50 CCAA CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)CCc1nn[nH]n1 631674383 IYXORVBJQQBFOZ-NWDGAFQWSA-N 292.387 0.608 0 50 CCAA Cc1cc(S(=O)(=O)NCc2nnnn2C)ccc1F 169970315 XIMBRXSERIARGC-UHFFFAOYSA-N 285.304 0.136 0 50 CCAA C[C@H]1CN(C[C@@H](C)O)CCN1S(=O)(=O)c1ccco1 170618038 LAQLPLMQVXULII-WDEREUQCSA-N 288.369 0.355 0 50 CCAA Cc1cncc(C(=O)Nc2ccc(-n3nn[nH]c3=O)cc2)c1 170619121 DOTDWKLSAXYVBH-UHFFFAOYSA-N 296.290 0.911 0 50 CCAA O=C1CN(C(=O)c2cnccn2)[C@@H]2CCCC[C@H]2N1 170662533 BEJZPRMOXMWXGT-MWLCHTKSSA-N 260.297 0.360 0 50 CCAA CC(C)CN(CC(N)=O)C(=O)[C@@H]1CCCO[C@@H]1C 188068247 LBQQMYHWSLJAET-GHMZBOCLSA-N 256.346 0.771 0 50 CCAA C[C@H]1CN(Cc2cccc3c2CCOC3)C[C@H](C(N)=O)O1 639890022 MVTOICNRRVEYDE-XHDPSFHLSA-N 290.363 0.834 0 50 CCAA OC[C@@H]1CCCN1C[C@@H]1CCCN1CCC1OCCO1 195565943 FVWOJMYIKZJHRG-KBPBESRZSA-N 284.400 0.671 0 50 CCAA O=C(NC[C@@H](CC1CC1)C(=O)O)[C@@H]1CCCS1(=O)=O 568246394 MSNDFORUVXWBAE-ZJUUUORDSA-N 289.353 0.181 0 50 CCAA CCn1cc(CC(=O)NC2CCC3(CC2)C[C@@H]3N)nn1 1615545484 HVYUNNOMCVDAPE-KHJSKFAYSA-N 277.372 0.617 0 50 CCAA Cc1nc2ccc(NC(=O)C(C)(C)S(C)(=O)=O)cn2n1 253427268 ONIZDNQURVPEAY-UHFFFAOYSA-N 296.352 0.799 0 50 CCAA CN1C[C@@H](CN2CCC(c3nc(N)n[nH]3)CC2)CCC1=O 1775978477 OFPUNOBPQWQOGM-JTQLQIEISA-N 292.387 0.435 0 50 CCAA OC[C@]12CNC[C@@H]1CN(c1ncc(Cl)cn1)C2 1772707198 TXDLPHVATQSELF-LDYMZIIASA-N 254.721 0.148 0 50 CCAA COC(=O)CN(C)C[C@]1(O)CCCN(CC2CCC2)C1=O 15077099 LGLOFXGBVFWILE-OAHLLOKOSA-N 298.383 0.245 0 50 CCAA CSCC(=O)NCc1ncc2c(n1)CCN(C)C2 1857703436 MBMUDNRTAMAMQA-UHFFFAOYSA-N 266.370 0.444 0 50 CCAA CS(=O)(=O)N1CC[C@H](CNC(=O)c2cncs2)C1 407977602 SHTDDTDPNPXMGL-MRVPVSSYSA-N 289.382 0.154 0 50 CCAA CN(C)c1ncc(NC(=O)N2CCC[C@H](C(N)=O)C2)cn1 253418630 VYBVAEONUFKRTR-VIFPVBQESA-N 292.343 0.272 0 50 CCAA CN1CCC[C@]2(CO)CCN(C(=O)c3cc[nH]c3)C[C@@H]12 1704326243 YYZSEDISVKPRDR-UKRRQHHQSA-N 277.368 0.934 0 50 CCAA CCn1cc(-c2noc(C3CSC3)n2)c(O)nc1=O 924060626 WMCGEERNPKRXQH-UHFFFAOYSA-N 280.309 0.849 0 50 CCAA Cc1nccn1CCN1CCc2c(O)nn(C)c2C1 931193502 AXJUNMYUVAAYRY-UHFFFAOYSA-N 261.329 0.689 0 50 CCAA Cc1nc2[nH][nH]cc-2c(=NCCc2csc(O)n2)n1 1875286735 CJOPPJPPZLRUQW-UHFFFAOYSA-N 276.325 0.852 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)NCc2[nH]cnc2C)C1=O 886089144 ZUMMCBILUGRSIS-GFCCVEGCSA-N 294.355 0.362 0 50 CCAA COC[C@H]1COCCN1C(=O)c1ncc2c(F)cccn12 886856886 HYDMJJIQJHFVMR-JTQLQIEISA-N 293.298 0.961 0 50 CCAA CC[C@@H](O)CN1CCN(C(=O)C2(N)CCCCC2)CC1 888096127 LMAAFFXOMACIJI-CYBMUJFWSA-N 283.416 0.563 0 50 CCAA C[C@@H]1CCCN(C(=O)Cc2cnn(C)c2)[C@@H]1CN 156616533 PHPBHIHDZKUSKR-ZYHUDNBSSA-N 250.346 0.548 0 50 CCAA CC(C)n1nccc1C(=O)N(CCN(C)C)CC(=O)O 426492958 PWKLWPKHSXUBNU-UHFFFAOYSA-N 282.344 0.552 0 50 CCAA COCC[C@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 824384137 NRBRDLRJBPHJGB-SNVBAGLBSA-N 273.358 0.847 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cncc(F)c1)C2 2100473586 HVSHPGUAAFUSRV-FZMZJTMJSA-N 280.299 0.956 0 50 CCAA Cc1cc(C)n(C[C@H](C)NC[C@@H](O)Cn2cccn2)n1 2325754282 JVGWJZDMECMUTF-GXTWGEPZSA-N 277.372 0.736 0 50 CCAA CC1(C)CCN(C[C@@H](O)C2(O)CCOCC2)[C@@H]1C(=O)O 2325803176 VXWILDVSFAZPNK-GHMZBOCLSA-N 287.356 0.074 0 50 CCAA O=C(O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 168617 ZQKMWRGUSKTUKM-VHSXEESVSA-N 253.229 0.486 0 50 CCAA O=C(O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 1926516 CVVHUAIMEICGSA-CYBMUJFWSA-N 274.320 0.429 0 50 CCAA CCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 6766161 FDMKIVCHRICPIH-UHFFFAOYSA-N 268.338 0.758 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)COCC(F)(F)F)C1 225945886 KSFFVWPPWNXPFI-ZCFIWIBFSA-N 255.192 0.498 0 50 CCAA CC(C)N1CCN(Cc2ccon2)C[C@H]1CCO 106989365 UNJLSJLTEKKHJS-CYBMUJFWSA-N 253.346 0.952 0 50 CCAA CCN1C[C@@H](C(=O)NCCc2nccs2)CC1=O 50450832 RVWXIPZXVIAMGS-VIFPVBQESA-N 267.354 0.670 0 50 CCAA O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccn1 100081074 KCMUHCHPORKRCQ-NUZBWSBOSA-N 297.314 0.827 0 50 CCAA CC[C@@H](C(N)=O)N(c1ccccc1F)S(C)(=O)=O 67604294 HTCVTCMLVKLGJG-VIFPVBQESA-N 274.317 0.856 0 50 CCAA CN(C)CCn1cc(C(=O)N(C)CCN(C)C2CC2)cn1 328597208 FTQWZGAICIYBIQ-UHFFFAOYSA-N 293.415 0.611 0 50 CCAA COCc1noc(CN2C(=O)N[C@@H](C(C)(C)C)C2=O)n1 332654105 MXBCWDVLRFJCTK-SECBINFHSA-N 282.300 0.683 0 50 CCAA COc1nc(C)ccc1C(=O)N1CCO[C@H](CC(=O)O)C1 262691407 BRTRNAHTMLWBCC-SNVBAGLBSA-N 294.307 0.714 0 50 CCAA C[C@@H]1CC=CC[C@H]1C(=O)N1CCCN(CC(N)=O)CC1 367145123 QJXDQYFWTWIYJP-CHWSQXEVSA-N 279.384 0.608 0 50 CCAA O=C(NCc1csc(=O)[nH]1)[C@@H](C1CC1)N1CCCC1 156691635 MMTOBTAZIRPZBO-LLVKDONJSA-N 281.381 0.927 0 50 CCAA COc1ccnc(CN2CCCNC(=O)[C@@H]2C)c1OC 370446625 FZUCALDVQMWHJM-JTQLQIEISA-N 279.340 0.809 0 50 CCAA Cc1cc2nc(C(C)C)cc(N(C)C[C@H](O)CO)n2n1 72435771 VRSGFPZFNZPRCG-NSHDSACASA-N 278.356 0.951 0 50 CCAA O[C@@]1(c2c[nH]nn2)CCN(Cc2ccc(F)cn2)C1 284766008 JIPLKGNLKLXLSQ-LBPRGKRZSA-N 263.276 0.432 0 50 CCAA CN(C)C[C@@]1(CO)CCCN(C(=O)c2cncc(F)c2)C1 426612836 LAPGVNRVYVWURQ-HNNXBMFYSA-N 295.358 0.997 0 50 CCAA c1cc(N2CCN(C[C@H]3CCOC3)CC2)n2cnnc2n1 97529108 CUGQVGHJTRFSMJ-GFCCVEGCSA-N 288.355 0.283 0 50 CCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(c1ncccn1)CC2 95356085 FNFQZEYDWQTZGI-SNVBAGLBSA-N 290.323 0.379 0 50 CCAA COC[C@@H]1C[C@@H](O)CN1C(=O)c1nc[nH]c2nccc1-2 616534474 VOVDJSJPKWNTNQ-DTWKUNHWSA-N 276.296 0.131 0 50 CCAA N[C@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1c1ccccc1 91536838 XIVLRPTZJABLIK-CABCVRRESA-N 289.379 0.272 0 50 CCAA COc1ccc(NC(=O)NCCN2CCNC2=O)c(F)c1 96142248 PNRCXCFVGITKIZ-UHFFFAOYSA-N 296.302 0.981 0 50 CCAA COc1cncnc1NC(=O)NCC1(O)CCOCC1 294162376 INDFDANOWPYFRZ-UHFFFAOYSA-N 282.300 0.148 0 50 CCAA NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 263615913 FXLBEGVQWXILBX-UHFFFAOYSA-N 298.302 0.141 0 50 CCAA O=C(CCC(=O)Nc1nncs1)NCC1CCOCC1 828023223 YWUWCNCGWGEZHX-UHFFFAOYSA-N 298.368 0.800 0 50 CCAA CN1CCN(S(=O)(=O)NC2(c3ccccc3)CC2)CC1 823791202 FBHCKGGMFGYJKH-UHFFFAOYSA-N 295.408 0.758 0 50 CCAA O=C(CN1CCc2nocc2C1)NC[C@@H]1CCCO1 670457659 UXCWMQRDOVHURN-NSHDSACASA-N 265.313 0.328 0 50 CCAA CN1C[C@@H](CNC(=O)CCC(F)(F)F)OCC1=O 670452012 XOSQGAWOMZWZIG-SSDOTTSWSA-N 268.235 0.302 0 50 CCAA NCC[C@H]1CN(C(=O)C[C@@H](O)CN)c2ccccc21 1357989963 CXVJKLJUWHOORM-WDEREUQCSA-N 263.341 0.175 0 50 CCAA C[C@]1(O)CCN(Cc2nnc(-c3cccnc3)o2)C[C@H]1O 1565514651 SNEYDISDXPFXMG-RISCZKNCSA-N 290.323 0.449 0 50 CCAA O=C(NCC1CCN(C[C@@H](O)CO)CC1)c1ccco1 952984244 JFJAIIVNTSXLHE-GFCCVEGCSA-N 282.340 0.075 0 50 CCAA Cc1nnsc1C(=O)N1CCC(c2nc(O)n[nH]2)CC1 515538198 OVHYJTAUILOVFK-UHFFFAOYSA-N 294.340 0.690 0 50 CCAA COC1(CC(=O)N2CCC[C@](O)(CC(N)=O)C2)CCC1 644001751 VWUUFGGWVYIDHJ-ZDUSSCGKSA-N 284.356 0.175 0 50 CCAA CCn1cc(NC(=O)CN2CCCC[C@@H](O)C2=O)cn1 644307359 RULWTVRABTURQI-LLVKDONJSA-N 280.328 0.215 0 50 CCAA C[C@H]1CNCCN1S(=O)(=O)c1cccc(F)c1F 193358719 AFORJAVLDPLGEN-QMMMGPOBSA-N 276.308 0.947 0 50 CCAA CCN1C[C@H](CNC(=O)NCC2(N)CCCCC2)CC1=O 652202729 RXFRDLDDSPASAP-LBPRGKRZSA-N 296.415 0.816 0 50 CCAA C[C@@H](NC(=O)N=c1nc[nH]n1C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653541630 WAZQKAKGXGUCTJ-HRDYMLBCSA-N 295.343 0.494 0 50 CCAA COc1cccc(CN2CC[C@@](O)(Cn3ccnn3)C2)n1 671492327 DFXUIDFRKOXUIH-AWEZNQCLSA-N 289.339 0.319 0 50 CCAA Cn1ccc(C(=O)NC(C)(C)CCN2CCOCC2)n1 585127491 BJUXVPVHSUMINK-UHFFFAOYSA-N 280.372 0.651 0 50 CCAA CCN1[C@@H](C)CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1C 585127114 QHLYIOVGKKVREW-TYNCELHUSA-N 281.400 0.844 0 50 CCAA C[C@H](OC(=O)c1coc(C(N)=O)c1)C(=O)C1CC1 798650977 VCUHVKXNTSLDOI-LURJTMIESA-N 251.238 0.903 0 50 CCAA OC[C@H](O)C1CCN(Cc2noc(C3CC3)n2)CC1 1772709735 LNRKAFIHMWQKCD-NSHDSACASA-N 267.329 0.512 0 50 CCAA O[C@H]1CN(CCN2CCOCC2)C[C@H]1Cc1ccncc1 1529109587 GCOFRUMBTITLRQ-CVEARBPZSA-N 291.395 0.249 0 50 CCAA CCN(CCn1cccn1)c1nc(C(N)=O)cs1 1529120633 GLPLRKMLNWCQSU-UHFFFAOYSA-N 265.342 0.965 0 50 CCAA O=C1CC[C@@H](NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C(=O)N1 116503181 RXXWCHQYIPLSAI-UKKRHICBSA-N 264.325 0.734 0 50 CCAA CCNC(=O)c1ccnc(N(C)C[C@@H](O)COC)c1 1704305451 QNKXFSOIAXDGQO-LLVKDONJSA-N 267.329 0.275 0 50 CCAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)C[C@H]2CCCCO2)C1 257366240 OVRHXNZGMZLQJA-XQQFMLRXSA-N 290.429 0.815 0 50 CCAA CCC(C)(C)C(=O)N1CCN([C@@H]2CCNC2)CC1 261581247 QLYVFQRMHSUJJU-GFCCVEGCSA-N 253.390 0.929 0 50 CCAA C[C@@H](N)C(=O)N(C)CC(C)(C)CN1CCOCC1 157954348 IQMAREJKTBBOPO-LLVKDONJSA-N 257.378 0.150 0 50 CCAA COc1ccccc1CC(=O)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772702841 LUNQCWNBRYRBGW-CHWSQXEVSA-N 291.347 0.297 0 50 CCAA CO[C@@H]1CCNC[C@@H]1NC(=O)c1c(O)cccc1F 1772705976 OWGBUOXBOOJDLV-GXSJLCMTSA-N 268.288 0.638 0 50 CCAA COc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](O)[C@H]3C2)cc1 1772703057 GNWXLYQXJXWNIX-ICCXJUOJSA-N 283.349 0.697 0 50 CCAA O=C1CO[C@]2(CCN(c3ncc4c(n3)CCCC4)C2)CN1 1775977340 FRVPNGUQRGNUPV-OAHLLOKOSA-N 288.351 0.451 0 50 CCAA O=C(NCc1[nH]nc2ncccc12)[C@@H]1CCc2ncnn2C1 1857712705 NFHGWWNAJRIYMH-SECBINFHSA-N 297.322 0.428 0 50 CCAA Cn1nnc2cc(C(=O)N3CCC[C@@H]3C(=O)O)ccc21 237829991 FNWVYBQRKGWZTA-LLVKDONJSA-N 274.280 0.658 0 50 CCAA O=C(Cc1ccc(Cl)cc1)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875247750 QUYWDVZWPVMEIC-HBJVGIJOSA-N 297.738 0.526 0 50 CCAA C[C@H](c1cccnc1)N(C)C(=O)C1=NN2CCCN=C2N1 643775320 MGUVFWJJAHEZTC-SNVBAGLBSA-N 286.339 0.579 0 50 CCAA CC(=O)Nc1ccsc1C(=O)N1CC[C@](C)(O)[C@H](O)C1 247935103 KUUFGZHGLWNLMB-MFKMUULPSA-N 298.364 0.664 0 50 CCAA Cc1nsc(N2CCN(c3cnccn3)CC2)n1 266176072 TVOQYQJCUSIJLP-UHFFFAOYSA-N 262.342 0.963 0 50 CCAA CC1(C)CC[C@H](CNC(=O)N2CCOC[C@H]2CO)OC1 923997998 MNJNWPKHGVMVEB-VXGBXAGGSA-N 286.372 0.594 0 50 CCAA CN(C)S(=O)(=O)c1ccc(C(=O)OC2CSC2)o1 952848649 ICKQLXAWGCPJGN-UHFFFAOYSA-N 291.350 0.802 0 50 CCAA Cc1noc(=O)n1Cc1cc(=O)n2ccsc2n1 1875391324 GUNQYWHYXYNKIP-UHFFFAOYSA-N 264.266 0.262 0 50 CCAA O=C(Cc1cncnc1)Nc1cccc(O[C@H]2CC(=O)N2)c1 1875383407 SGVQMOZIVBYLOT-HNNXBMFYSA-N 298.302 0.883 0 50 CCAA CC[C@H]1CCN(C(=O)C(=O)N2CCCNCCC2)C1 1875326558 LMMBVNMDADRIME-LBPRGKRZSA-N 267.373 0.457 0 50 CCAA O=C(CSc1ccccc1)N1CC(O)(c2nn[nH]n2)C1 1875327152 SDWXBSRVWUWBTJ-UHFFFAOYSA-N 291.336 0.022 0 50 CCAA O=C(O)[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C(=O)O)C2)C1 1875354346 FGKSFCQYRRIECR-IWSPIJDZSA-N 270.285 0.356 0 50 CCAA CC[C@H](C)[C@@H](CN(C)C)NS(=O)(=O)c1ccnn1C 888095545 NDSBDKKMIMBNOQ-WDEREUQCSA-N 288.417 0.675 0 50 CCAA C[C@H]1CC[C@@H](CS(=O)(=O)N(C)CC(=O)N(C)C)C1 1775989964 HLDXMVADDNSKKN-WDEREUQCSA-N 276.402 0.772 0 50 CCAA Cc1cc(CS(=O)(=O)c2nc(CO)cs2)nn1C 899513395 SQKZEYYQZJODMG-UHFFFAOYSA-N 287.366 0.651 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)N[C@H](C)C1 153154401 DUELELRPMFBHOT-UMNHJUIQSA-N 253.346 0.206 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)CCOCc1ccccc1 268986422 QELYTOXRVOPPLT-ZDUSSCGKSA-N 293.319 0.905 0 50 CCAA CCNc1ccnc(NC[C@@H]2CCS(=O)(=O)C2)n1 65469041 YGLKUFCDGWLWPX-VIFPVBQESA-N 270.358 0.755 0 50 CCAA CCCn1ccnc1CN1CCN(C)[C@@H](C(=O)O)C1 686100901 NRLOFTGODQUKIU-LLVKDONJSA-N 266.345 0.494 0 50 CCAA CCNCCNC(=O)[C@@H]1CCCc2c1ncn2C 2325778413 YLSOKXAMLKHSIB-SNVBAGLBSA-N 250.346 0.566 0 50 CCAA Cc1no[nH]c1=NC(=O)[C@]1(C)Cc2ccccc2NC1=O 2325807271 MVTWIFWFPNIRBL-CQSZACIVSA-N 286.291 0.940 0 50 CCAA O=C(NN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccncc1 103200039 XWLCWOURHURFHP-GHMZBOCLSA-N 271.276 0.678 0 50 CCAA C[C@]1(NS(=O)(=O)c2ccc(C(=O)O)cc2)CCOC1 134020972 ZLASWARXLVYUDZ-LBPRGKRZSA-N 285.321 0.842 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)CCc2ccoc2)C1 345021743 VITLXQKEHIIOEE-QWRGUYRKSA-N 266.297 0.313 0 50 CCAA CNC(=O)c1cccnc1N1CCNC[C@](C)(F)C1 420268570 SHLUQQASZXJDIG-ZDUSSCGKSA-N 266.320 0.579 0 50 CCAA CC(=O)NCCNc1cc(-n2nc(C)cc2C)ncn1 65362551 VDCOJUXKLTVHQD-UHFFFAOYSA-N 274.328 0.827 0 50 CCAA CNC(=O)NCC(=O)Nc1ccc2nc(S)oc2c1 126954803 HQRMZBRJUFGASA-UHFFFAOYSA-N 280.309 0.984 0 50 CCAA O=S(=O)(C1COC1)N1CC[C@H](O)C12CCCC2 330359406 VZDKEQDDVVBLHW-JTQLQIEISA-N 261.343 0.094 0 50 CCAA Cc1ccc(OCC(=O)N[C@@H]2CNC(=O)C2)cc1C 330751695 ZMVHDBMGAUHSIJ-NSHDSACASA-N 262.309 0.687 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)OCc2ccccc2)CN1 39952265 MDYGFJHMKWJTTE-NEPJUHHUSA-N 278.308 0.816 0 50 CCAA in-vitro CCOC(=O)C[C@H](O)C(=O)N[C@H]1C[C@](C)(OC)C1(C)C 253404553 MDIPWINHJAZJNZ-BHDSKKPTSA-N 287.356 0.620 0 50 CCAA Cc1c[nH]cc(C(=O)NC[C@@](C)(O)C(F)(F)F)c1=O 334032852 NFPYCSNSVIHRCM-SNVBAGLBSA-N 278.230 0.726 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)CNC(N)=O 216295805 IWYMIXHMFQMMCU-MRVPVSSYSA-N 253.306 0.214 0 50 CCAA CC(C)n1cc(C(=O)N[C@H]2CCCCNC2=O)cn1 77522666 STTYHPSZUQUXTH-NSHDSACASA-N 264.329 0.863 0 50 CCAA O=C(c1cn2ccsc2n1)N1CCOC[C@H](O)C1 77287591 FYYRSOZRFDZFON-MRVPVSSYSA-N 267.310 0.229 0 50 CCAA CCCN(CCO[C@H]1CCCCO1)[C@H]1CC(=O)N(C)C1=O 338333669 WGGTTWAUASKWGR-JSGCOSHPSA-N 298.383 0.999 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)CCc3ccncn3)[C@H]2C1 285991949 YMAXXDMBXUEYDK-UONOGXRCSA-N 290.367 0.341 0 50 CCAA CN(CCC[C@@H]1CCCO1)C(=O)c1cncc(=O)[nH]1 426470791 HUHFNXJYBZQPCF-SNVBAGLBSA-N 265.313 0.801 0 50 CCAA Nc1nc(NCc2ccncn2)cc(C2CC(O)C2)n1 220050765 JZOHURHJDQGAMD-UHFFFAOYSA-N 272.312 0.699 0 50 CCAA COCCN1CC[C@@H](CN(C)C(=O)Cc2cc(C)no2)C1 223151778 WQCWJAJUOGHMOC-ZDUSSCGKSA-N 295.383 0.952 0 50 CCAA Cc1cc(C)nc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 222330552 DJUKSIVTGHAFTJ-ZNSHCXBVSA-N 273.292 0.760 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1 91303922 YHUJAKLVDJODPS-UFBFGSQYSA-N 257.286 0.955 0 50 CCAA CCCc1nnc(NC2CCN(CCO)CC2)o1 95373240 CMKYZFISKKORKX-UHFFFAOYSA-N 254.334 0.891 0 50 CCAA COc1ncccc1NC(=O)NCCc1nnc[nH]1 266728083 ISQQPJIHPCRQEI-UHFFFAOYSA-N 262.273 0.573 0 50 CCAA Cc1ccc(CN(CCCO)C(=O)CN(C)C(N)=O)s1 426396019 WNYLAIVEXSEMLA-UHFFFAOYSA-N 299.396 0.778 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)CN1CCOC1=O 95504980 PAMNHDGUFBNBFC-UHFFFAOYSA-N 267.285 0.702 0 50 CCAA COCC(=O)N1CCC(c2nc([C@H]3CCOC3)no2)CC1 96149515 RLSFYBUFWBZATG-NSHDSACASA-N 295.339 0.926 0 50 CCAA COCCn1cncc1CN1CC2(CCNCC2)OC1=O 95497062 WLIMSOKOKQMFQZ-UHFFFAOYSA-N 294.355 0.604 0 50 CCAA C[C@H]1CN(CC(=O)Nc2ccc(C(N)=O)cc2)CCCO1 244795959 RQHSEMHWOOUHIW-NSHDSACASA-N 291.351 0.835 0 50 CCAA CC(C)COCCC(=O)N1CCO[C@@H](CC(=O)O)C1 299750321 NBDYDDKMLJQRDE-NSHDSACASA-N 273.329 0.751 0 50 CCAA NC(=O)[C@H](O)C1CCN(C[C@@H](O)Cc2ccccc2)CC1 299752759 VIWUXWLTNDVEDS-LSDHHAIUSA-N 292.379 0.148 0 50 CCAA CC[C@@H](NC(=O)CNC(N)=O)c1ccc(C)cn1 299775387 BXKYHXXPRRBUCD-SECBINFHSA-N 250.302 0.626 0 50 CCAA CC(C)OCC(=O)N1CC[C@@H](N2CCN(C)CC2)C1 670451950 PNYQYMOWNJOLNF-CYBMUJFWSA-N 269.389 0.260 0 50 CCAA Cc1cccc(OC[C@H](O)CNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1 268915715 QAOGCIUYQDHHRP-RTXFEEFZSA-N 293.319 0.572 0 50 CCAA CCN1CCC[C@H](CNS(=O)(=O)C[C@@H](C)OC)C1 170620324 RFUUNSGVMDZQJO-VXGBXAGGSA-N 278.418 0.673 0 50 CCAA Cc1c(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cnn1C 408478046 BZQXHYOEOGZWQW-GARJFASQSA-N 297.380 0.970 0 50 CCAA CC1(C)CN(CCNC(=O)CCNC2CC2)CCO1 576052134 BPCPFKRJVDLHPS-UHFFFAOYSA-N 269.389 0.356 0 50 CCAA CO[C@@H](C(=O)N1c2ccccc2C[C@H]1C(N)=O)C1CC1 665718293 GCTXHHPWPUKZFX-QWHCGFSZSA-N 274.320 0.855 0 50 CCAA Cc1csc2ncnc(N3CC(S(N)(=O)=O)C3)c12 665752365 LTRZOOSDKBJMHX-UHFFFAOYSA-N 284.366 0.477 0 50 CCAA O=C(O)c1cncnc1N1CCN(c2nccs2)CC1 95363806 CFHILGYCMSAJLD-UHFFFAOYSA-N 291.336 0.958 0 50 CCAA Cc1ncoc1CNS(=O)(=O)c1cnn(C)c1 907597177 HNNJFEZKJVJWDN-UHFFFAOYSA-N 256.287 0.195 0 50 CCAA COc1ccccc1NC(=O)CN1CCN(C)C(=O)C1 119510831 AABCMVCWQLDIJB-UHFFFAOYSA-N 277.324 0.408 0 50 CCAA CN1C2(CCC2)COC[C@@]1(CO)CNCC1(O)CCC1 629602464 FUXNYLJEZRWREK-AWEZNQCLSA-N 284.400 0.107 0 50 CCAA CC[C@@H](C(=O)N(C)Cc1ncc[nH]1)N1CCCC1=O 330955114 MKSXPYJCFQGDAS-JTQLQIEISA-N 264.329 0.769 0 50 CCAA CC(C)NC(=O)[C@H](C)Oc1ccc(S(N)(=O)=O)cc1 6704563 SEZDRPBXFNSPHD-VIFPVBQESA-N 286.353 0.626 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O 12649154 IIRYNZYKXMSCSC-GHMZBOCLSA-N 265.265 0.701 0 50 CCAA CNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 12653634 RKARBKFTYIRPQB-UHFFFAOYSA-N 272.326 0.305 0 50 CCAA CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C 17433328 OWVDTHIYHTUYFI-UHFFFAOYSA-N 254.315 0.462 0 50 CCAA CCCS(=O)(=O)N1CCN(Cc2cccnc2)CC1 19842782 IEQBCNROVXZFKJ-UHFFFAOYSA-N 283.397 0.939 0 50 CCAA CCC[C@@]1(CO)CN(c2nccnc2NC)CC[C@@H]1O 1857725925 AGIAUPDEUFSYSM-FZMZJTMJSA-N 280.372 0.868 0 50 CCAA Cc1ncn(CCNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)c1C 1857725979 CRKMJBDIHHQVQA-YNEHKIRRSA-N 280.372 0.104 0 50 CCAA CCOc1cccc(C(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1 1875245551 FGHBBOXOFVHGTN-REWJHTLYSA-N 293.319 0.342 0 50 CCAA Cc1[nH]ccc1C(=O)N1CC[C@H](n2cc(C(=O)O)nn2)C1 818316838 GIZXEGFYAKRDEF-VIFPVBQESA-N 289.295 0.700 0 50 CCAA C[C@@H](C(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O)C1CC1 902435792 FPCQGECKEFWRHQ-MWLCHTKSSA-N 282.340 0.614 0 50 CCAA NC(=O)C1(O)CCN(c2c(F)cncc2Cl)CC1 1875286942 OBTYKDRDMFSSLD-UHFFFAOYSA-N 273.695 0.691 0 50 CCAA N[C@@H]1CN(C(=O)c2cnc3ccc(F)cc3c2)C[C@H]1N 1875270183 IPIDNZNPLGWVKE-VXGBXAGGSA-N 274.299 0.484 0 50 CCAA O=C(N[C@@H]1C[C@]2(C(=O)O)C[C@H]12)N1[C@H]2CC[C@@H]1C[C@H]2CO 1875299606 PUFGZCSFHNKGQS-RSGCMXLISA-N 280.324 0.404 0 50 CCAA CC[C@H](NC(=O)c1c[nH]nc1-c1ccn(C)n1)[C@H](C)O 1875301313 KALHJSFBGGQNKM-WPRPVWTQSA-N 277.328 0.699 0 50 CCAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)C1=NN(C)C(=O)CC1 263517945 PNAZNEIJBXEDRP-RKDXNWHRSA-N 281.312 0.306 0 50 CCAA CCCN1CC[C@H](N=c2nc(OC)cc(OC)[nH]2)C1 389263371 DRKVXUDSDROPFE-JTQLQIEISA-N 266.345 0.812 0 50 CCAA COC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 12296639 KSNGNHHCBHTIQT-LBPRGKRZSA-N 288.303 0.811 0 50 CCAA biogenic Cc1ncc(C(=O)N2CCC[C@]23CCCN(C)C3=O)[nH]1 2356142159 GZYXIGWXXBFOEP-AWEZNQCLSA-N 276.340 0.945 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)O 21502293 SRZJTNSAWYYLAF-UHFFFAOYSA-N 298.364 0.629 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2ccc(CO)cc2)[C@H]2CCO[C@H]21 1074617702 TXGAPGJUZOGEEZ-CBBWQLFWSA-N 291.347 0.959 0 50 CCAA NCC(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1 67841523 QNELQOGPNRZASV-UHFFFAOYSA-N 291.355 0.354 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(C)c(C)s1 67981811 HNPLZEPPUUVSHT-UWVGGRQHSA-N 281.381 0.653 0 50 CCAA CCc1nn(C)cc1C(=O)N[C@H]1CCS(=O)(=O)[C@H]1C 356704906 YIRYBXZEEYYMMM-KWQFWETISA-N 285.369 0.288 0 50 CCAA Cc1ccc(C(=O)NCCNC(=O)C(F)(F)F)c(=O)[nH]1 67947995 URIBPMKCHWDKMF-UHFFFAOYSA-N 291.229 0.092 0 50 CCAA C[C@@H](C(=O)O)N(C)CC(=O)/N=c1\cc[nH]n1[C@@H](C)C1CC1 252533178 GEDWIIRLMFCABX-ZIFQFPGJSA-N 294.355 0.619 0 50 CCAA CC(C)Oc1cccnc1C(=O)NC[C@H]1CNCCO1 423993678 QVFXVWZIQBAVET-LLVKDONJSA-N 279.340 0.587 0 50 CCAA Cc1cc(CC(=O)N2CCC[C@@](O)(CN(C)C)C2)on1 72143667 CLZVQWIIDUFTSH-CQSZACIVSA-N 281.356 0.441 0 50 CCAA COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 39254853 DEIJHCATUHBNIH-IWSPIJDZSA-N 258.270 0.538 0 50 CCAA CCO[C@H](C)c1nccn1CCS(=O)(=O)N(C)C 330564256 FETYCWXPEUZSQX-SNVBAGLBSA-N 275.374 0.872 0 50 CCAA Cn1c(C(=O)N2CCCC[C@@H]2C(=O)O)cccc1=O 262752438 JOEKVOAHOHNLOA-SNVBAGLBSA-N 264.281 0.465 0 50 CCAA CCC(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 72441692 ZVHQSTGWSVIGBI-UHFFFAOYSA-N 277.372 0.910 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(C)on1 218923288 PYIFDBLRWBMXLK-SPFNVWMYSA-N 266.297 0.763 0 50 CCAA C[C@@H](Cc1ccncc1)NC(=O)CNC(=O)N(C)C 219280606 PALZPQJOPMCZMQ-JTQLQIEISA-N 264.329 0.400 0 50 CCAA Cc1ccc(OCC(=O)N2C[C@H](N(C)C)C[C@H]2CO)cc1 219627813 BZYPLGBAUXBYOR-KGLIPLIRSA-N 292.379 0.897 0 50 CCAA CO[C@@H]1COC[C@@H]1NC(=O)Nc1nc(C)cs1 333615194 OTBXJGJDWXIZSG-JGVFFNPUSA-N 257.315 0.987 0 50 CCAA C[C@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCN1 237578962 RGLIZEYYYBKMSL-NSHDSACASA-N 271.324 0.701 0 50 CCAA C[C@@H](O)C(=O)N1CCN(c2ccccc2Cl)C(=O)C1 85532987 METGMJCWBAUUKO-SECBINFHSA-N 282.727 0.896 0 50 CCAA CNC(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 178460915 KXVLPWSWKSHZJX-RYUDHWBXSA-N 255.362 0.683 0 50 CCAA O=c1[nH]c(N[C@@H]2CCSC2)nc2c1CCNC2 82162179 KVIJMGQLSQOAEU-SSDOTTSWSA-N 252.343 0.333 0 50 CCAA CCO[C@H](C)C(=O)NCCc1nc(C)cc(O)n1 426515824 ZOJHWXFNCPCCGD-SECBINFHSA-N 253.302 0.574 0 50 CCAA CN1CCC[C@H]1C(=O)N1CCN(c2ncccn2)CC1 82316168 XFRSMBQTPHAEJI-LBPRGKRZSA-N 275.356 0.219 0 50 CCAA CCc1ccc(C(=O)NC[C@@H]2CN(C(C)=O)CCO2)[nH]1 426705879 TXLNOKOHNOPGTM-GFCCVEGCSA-N 279.340 0.554 0 50 CCAA Cc1[nH]c(=O)[nH]c(=O)c1-c1ccc(C(=O)N(C)C)cc1 96140992 LCAYJWZWXSZFCM-UHFFFAOYSA-N 273.292 0.740 0 50 CCAA O=C(NCc1ccon1)c1ccccc1-c1nnn[nH]1 97713681 CLRHSRNBMDDUSH-UHFFFAOYSA-N 270.252 0.785 0 50 CCAA O=C([C@@H]1COc2ccccc2C1)N1CCS(=O)(=O)CC1 95503040 BNMHHKMMIOZBLZ-LBPRGKRZSA-N 295.360 0.495 0 50 CCAA O=C(c1c[nH]c(=O)c2ccccc12)N1C[C@@H]2CNC[C@@H]2C1 97694811 QCMPHJMFQRKSJX-PHIMTYICSA-N 283.331 0.820 0 50 CCAA CCNc1nc(C(=O)N2CC(=O)N[C@@H](C)C2)cs1 296436997 YOAWXFZWQJUDPF-ZETCQYMHSA-N 268.342 0.535 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CCN[C@@H](C)C1 534644091 NAFHOTLDKGDGOQ-JTQLQIEISA-N 272.374 0.194 0 50 CCAA O=C(NC[C@H]1COCCO1)Nc1ccc2[nH]nnc2c1 299759495 SHMNAHIIQWABJF-VIFPVBQESA-N 277.284 0.495 0 50 CCAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(N)cc12 299764917 WKVUBICNYSGCOV-UHFFFAOYSA-N 292.295 0.527 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)[C@@H](C)N1CCCC1=O 827635951 SBMVRGXTMDWKJJ-GFCCVEGCSA-N 290.367 0.351 0 50 CCAA Cc1[nH]nc(CN2CCO[C@@H](C(=O)N(C)C)C2)c1Cl 584900095 JOENUZINQVDBRY-SNVBAGLBSA-N 286.763 0.661 0 50 CCAA O=C(CS(=O)(=O)NCCCCCO)c1ccccc1 725375670 LNPQNISXJXLHNI-UHFFFAOYSA-N 285.365 0.951 0 50 CCAA O=C1N[C@@H](C2CC2)C(=O)N2Cc3ccccc3C[C@H]12 828296190 NSTWJNXCJYJVMN-OLZOCXBDSA-N 256.305 0.848 0 50 CCAA CN1CCCC[C@@H]1CNC(=O)CCCn1cnnn1 584901895 AUTHSFUKKRILQY-LLVKDONJSA-N 266.349 0.054 0 50 CCAA Cn1nncc1CN1CCS(=O)(=O)c2ccccc2C1 274902051 HFWCRWSIDMTMJW-UHFFFAOYSA-N 292.364 0.605 0 50 CCAA O=C(O)C[C@@H]1C(=O)Nc2ccccc2S1(=O)=O 215125075 MYNNVTRKSKWKNK-MRVPVSSYSA-N 255.251 0.256 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)Cc1cccc(F)c1 643945407 FHQILUQZTSKCIF-HNNXBMFYSA-N 294.326 0.861 0 50 CCAA O=C(Cn1cncn1)N1CC[C@@](CO)(c2ccccc2)C1 644707685 LGMZCNXCHGHYHA-OAHLLOKOSA-N 286.335 0.441 0 50 CCAA Cn1cnc(C(=O)N[C@@H](CC(=O)O)C(F)(F)F)c1 710818560 CUPRWVSKMIWJST-LURJTMIESA-N 265.191 0.556 0 50 CCAA Cn1cc(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)nn1 653329001 PYCLFQROOZPOQO-GHMZBOCLSA-N 286.291 0.858 0 50 CCAA CNCC(=O)N1CCC2(CC1)C[C@@](C)(O)CCO2 1704331073 JYKYIKYWNOYTJD-LBPRGKRZSA-N 256.346 0.128 0 50 CCAA COCc1ccc(C(=O)N2CC[C@H](C(=O)O)C2)o1 261703946 CXDGBDAJLIZUPP-QMMMGPOBSA-N 253.254 0.973 0 50 CCAA COc1nc(C)cc(=NC(=O)[C@]2(C)CCCS2(=O)=O)[nH]1 1875272515 WUYGBGDLFFYMEG-LBPRGKRZSA-N 299.352 0.121 0 50 CCAA CO[C@H]1CN(Cc2nnnn2C(C)(C)C)CCO1 585116241 NCPWHFRWROBMAD-SNVBAGLBSA-N 255.322 0.233 0 50 CCAA O=C(Nc1nc[nH]n1)c1ccc(C(=O)Nc2nc[nH]n2)cc1 5731110 JCGQIBJELLVJJE-UHFFFAOYSA-N 298.266 0.427 0 50 CCAA COc1ccc(C=O)cc1CN1CCN(CCO)CC1 19371388 SZLQZAJZSGVNQB-UHFFFAOYSA-N 278.352 0.618 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)CCn2cccn2)CC[C@@H]1O 1857714973 VFLYCHGZVWASGR-ZFWWWQNUSA-N 295.383 0.645 0 50 CCAA Cc1ccc(F)cc1CNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1 1857721769 FEXKJECAKDRBRM-XDTLVQLUSA-N 266.316 0.849 0 50 CCAA N[C@@H](CCC(=O)Nc1ccc(O)c(C(=O)O)c1)C(=O)O 2516282 SXXQCQDCWZFRGY-QMMMGPOBSA-N 282.252 0.221 0 50 CCAA in-vitro COc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2)ccc1C 237350214 KEKFKSIWDAOZGJ-NEPJUHHUSA-N 264.325 0.343 0 50 CCAA Cc1ccnc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c1Cl 333739191 VJWCLTSRQYAXQM-OCAPTIKFSA-N 265.700 0.752 0 50 CCAA O=C1C[C@H](C(=O)NCc2ccc(C(=O)O)cc2)CCN1 238093491 PDADBDLRLSUATM-LLVKDONJSA-N 276.292 0.527 0 50 CCAA Cn1cncc1CN1CC[C@@H](N=c2ccc3nccn3[nH]2)C1 548677899 RTBVVKIZAYTJJD-GFCCVEGCSA-N 297.366 0.571 0 50 CCAA CC(C)[C@@H]1NCC[C@@H]1C(=O)N1CCN(C(=O)N(C)C)CC1 336004345 YFDGHEXJEYPWDD-STQMWFEESA-N 296.415 0.446 0 50 CCAA Cc1ncoc1CNS(=O)(=O)CC[C@@H]1CCCO1 907596797 APTDVXVGWDHVOD-JTQLQIEISA-N 274.342 0.972 0 50 CCAA COc1ncc(CN2CC[C@H](O)[C@@H](CO)C2)cc1Cl 1235696468 FEKJKGBBWBXVOW-PWSUYJOCSA-N 286.759 0.919 0 50 CCAA COc1cc(C(=O)NCC2(C)CCN(C)CC2)ncn1 935296191 UPRGXDMEZKDVDA-UHFFFAOYSA-N 278.356 0.947 0 50 CCAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H](O)c1cnc[nH]1 865190609 BPNMQYQNMIQAAV-UPJWGTAASA-N 278.356 0.528 0 50 CCAA N=c1[nH]nc(Cl)cc1NCc1nnc2n1CCC2 1875286501 WEAJCVLVDBAWPP-UHFFFAOYSA-N 265.708 0.692 0 50 CCAA COc1ccc(F)cc1[C@@H](O)CN1CCCNC(=O)C1 1875292186 ZPEDACGBIZPYIC-LBPRGKRZSA-N 282.315 0.690 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@@H]1CCCN1C(=O)C1CC1 1875266573 GWSPSEFFOWQFEQ-QWRGUYRKSA-N 268.313 0.224 0 50 CCAA COC[C@H](C)[C@@H](C)C(=O)N1CCc2c(O)nc(O)nc2C1 1875307683 RHPADUBSNXUXGY-DTWKUNHWSA-N 295.339 0.691 0 50 CCAA CON1CCC(CC(=O)N2CCN[C@@H](C)[C@H]2C)CC1 888096360 CRBRKFSKGZDIQQ-NWDGAFQWSA-N 269.389 0.859 0 50 CCAA CNC(=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1 178460939 KXVLPWSWKSHZJX-NWDGAFQWSA-N 255.362 0.683 0 50 CCAA O=C(c1ccc(=O)[nH]c1)N1CCO[C@@H](C(F)(F)F)C1 71759112 CZPRJPAIKWFCBM-MRVPVSSYSA-N 276.214 0.778 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)c2cccn2C)C1 630249498 NIVCDFCCDKDKSC-GFCCVEGCSA-N 252.270 0.341 0 50 CCAA NC1(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)CCC1 335410291 OMFJLPFQPZGRDB-LLVKDONJSA-N 265.357 0.481 0 50 CCAA CO[C@@H](C(=O)N1CC(CO)(CO)C1)c1ccccc1 720945537 BRCCQKFRPDIFGO-GFCCVEGCSA-N 265.309 0.187 0 50 CCAA Cc1cccnc1CNC(=O)[C@@H]1CN(C)CC[C@@H]1O 2100482787 ZAIDFBISLKAPBF-YPMHNXCESA-N 263.341 0.319 0 50 CCAA CCN(CC(F)F)C(=O)[C@H]1CC[C@@H](C(=O)O)NC1 2325756227 WWMNGKOEPKUTKI-YUMQZZPRSA-N 264.272 0.553 0 50 CCAA CNC(=O)CN(c1ccccc1C)S(C)(=O)=O 972094 NQXWEKWPDXYBBW-UHFFFAOYSA-N 256.327 0.507 0 50 CCAA O=C1NC[C@H]2CN(C(=O)c3cc(=O)c4ccccc4o3)C[C@@H]12 2356149132 LGWVLJHSNUNMLE-GXSJLCMTSA-N 298.298 0.611 0 50 CCAA C[C@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)CC(=O)N1C 282524208 ZHKAAKOWVXDIDU-UWVGGRQHSA-N 276.340 0.519 0 50 CCAA CCCS(=O)(=O)N1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 328625772 LAAPYGZGOAIXNC-RYUDHWBXSA-N 287.385 0.168 0 50 CCAA COc1ccc(OC)c2[nH]c(C(=O)NCC(=O)O)cc12 35686325 SICCUVHRTVQIRE-UHFFFAOYSA-N 278.264 1.000 0 50 CCAA COc1ccccc1[C@H](O)CNC(=O)[C@H]1CCCCN1 154301710 SNHHAQBACLCKPW-CHWSQXEVSA-N 278.352 0.987 0 50 CCAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccnn1C 156231414 XGVLPBYQCNQVBF-LBPRGKRZSA-N 280.372 0.603 0 50 CCAA CN(C)C/C=C/C(=O)NCCCCn1ccnc1 491885271 OQOXLRAEYPHINW-AATRIKPKSA-N 250.346 0.897 0 50 CCAA COC[C@H]1CN(C(=O)Cc2cnn(C)c2)CC(C)(C)O1 285651238 XUEBGFOHAWXFLX-GFCCVEGCSA-N 281.356 0.615 0 50 CCAA CN1CCC(O)(C(=O)NCCCc2ccc(O)cc2)CC1 97805483 UFJRHJBJVJTHRP-UHFFFAOYSA-N 292.379 0.898 0 50 CCAA COCC[C@@]1(C(=O)O)CCCN(CCN2CCCC2=O)C1 91411362 BXFJITFAAWDORW-HNNXBMFYSA-N 298.383 0.812 0 50 CCAA Cc1cnn(CCC(=O)N2C[C@H](CO)[C@H](CN(C)C)C2)c1 91706374 OXQNEFLTKFCMCQ-ZIAGYGMSSA-N 294.399 0.210 0 50 CCAA Cc1ccc(CC(=O)N=c2ccn(CC(=O)O)[nH]2)o1 538469809 FKBORFDZTFJCOF-UHFFFAOYSA-N 263.253 0.472 0 50 CCAA CN(Cc1ncon1)C(=O)CCN1CCCCC1=O 252484012 FMDBWAYWUXDAQR-UHFFFAOYSA-N 266.301 0.431 0 50 CCAA Cc1cc(=O)n(CCN(C)C[C@@H]2CCCCO2)c(O)n1 253536681 KMDKAHLSVIXRTM-LBPRGKRZSA-N 281.356 0.758 0 50 CCAA NC(=O)CSCC(=O)NCC[C@@H]1CCCOC1 534583407 BSMXBZOMWFPRAN-VIFPVBQESA-N 260.359 0.138 0 50 CCAA COCCO[C@H]1CCN(S(=O)(=O)CC[C@H](C)F)C1 2325800475 KCIIDFIGYUSCLZ-QWRGUYRKSA-N 283.365 0.802 0 50 CCAA COCCN(C)CC(=O)N(C)C[C@@H]1CCCN(C)C1 824405756 UYUQMRUOPGJNLI-CYBMUJFWSA-N 271.405 0.365 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)Cc1sc(C)nc1C 824506612 KZDUGBZDAXXTMQ-UWVGGRQHSA-N 270.354 0.832 0 50 CCAA CSCCN1CCN(C(=O)CCCNC(C)=O)CC1 824901272 JCJOMBFTGOWJSG-UHFFFAOYSA-N 287.429 0.410 0 50 CCAA O=c1c2ccc(C(F)(F)F)cc2ncn1Cc1nn[nH]n1 584901530 BBJKKGYFRHNNQK-UHFFFAOYSA-N 296.212 0.977 0 50 CCAA O=C1CCCN1CCN1CCC(O)(c2ccccn2)CC1 670438224 KAKUXGCSCMJTBV-UHFFFAOYSA-N 289.379 0.987 0 50 CCAA c1cn(C2CC2)c(CN2CCN([C@@H]3CCNC3)CC2)n1 244691560 JEZBNPDLWLFDPL-CQSZACIVSA-N 275.400 0.698 0 50 CCAA COc1cc(N[C@H]2CCOC[C@@H]2OC)nc(OC)n1 1565526849 DTRDFNOTBFPRGY-IUCAKERBSA-N 269.301 0.710 0 50 CCAA COCCN(CCOC)C1CN(C(=O)OCCCF)C1 952963841 LPAJNRCXGQUCBM-UHFFFAOYSA-N 292.351 0.762 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1cncnc1N 277360583 OPQPOCRIXQNCCN-MNOVXSKESA-N 264.329 0.880 0 50 CCAA Cc1cccnc1N(C)C(=O)CCN1C(=O)CCC1=O 279772372 WRTNNEDMCONTSZ-UHFFFAOYSA-N 275.308 0.892 0 50 CCAA C[C@H]1C(=O)NCCCN1Cc1nnc(C2CCC2)n1C 189343750 NFLJTZJWTDDHHI-JTQLQIEISA-N 277.372 0.793 0 50 CCAA O=c1c(Br)cccn1CC1OCCO1 194734101 CONQUENIQWFUMV-UHFFFAOYSA-N 260.087 0.984 0 50 CCAA Cc1cc(N2CCN(c3nc[nH]n3)CC2)nc(C)n1 585092217 JWSUOZKOMBHJSW-UHFFFAOYSA-N 259.317 0.538 0 50 CCAA C=CC(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 585086899 OINMCGSRMIPYAG-LLVKDONJSA-N 262.313 0.629 0 50 CCAA CCc1ccccc1S(=O)(=O)NCCn1cnnc1 585114764 XUMFSDDKWCNRDZ-UHFFFAOYSA-N 280.353 0.819 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@@H]1CCCC(F)(F)[C@H]1O 910471131 CBWYYNJMYUWRKU-SKDRFNHKSA-N 290.310 0.686 0 50 CCAA N[C@@H]1C[C@@H]2C[C@H](C(=O)NCc3cncc(O)c3)C[C@@H]21 1615549030 UXICUOKEXFCSBM-XRRVDJEJSA-N 261.325 0.777 0 50 CCAA CC(C)(N)C(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2 1615547633 UWZWILIJOHURCG-NXEZZACHSA-N 265.279 0.382 0 50 CCAA Cc1cnc(NCCc2ncnn2C)nc1N(C)C 1506415374 XBPRDHSKQSWSDG-UHFFFAOYSA-N 261.333 0.634 0 50 CCAA CNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C 1529197830 XHPPVGMGXMABIJ-OLZOCXBDSA-N 262.309 0.639 0 50 CCAA Cc1nc(C)n(C[C@H]2CCCN(S(C)(=O)=O)C2)n1 116899737 ZTRBMDPUSBSWRA-NSHDSACASA-N 272.374 0.567 0 50 CCAA COc1ccc2c(c1)CCN(C(=O)Cn1cnnc1)C2 1857681186 BRCUBDHTILGCQM-UHFFFAOYSA-N 272.308 0.872 0 50 CCAA C[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCCO1)C(=O)O 263018238 SGFDBDXBIHZALF-GUBZILKMSA-N 259.302 0.550 0 50 CCAA O=C(c1ccc(O)cc1F)N1C[C@H]2[C@H](C1)C2(CO)CO 1772808646 WXKNOCPIRNGBJE-QWRGUYRKSA-N 281.283 0.204 0 50 CCAA Cc1ccc(S(=O)(=O)N(CCO)CCO)cc1C 11566239 HYSYQEYMCVYBHB-UHFFFAOYSA-N 273.354 0.279 0 50 CCAA CCOC(=O)[C@]12COCC[C@H]1CN(c1n[nH]c(=N)s1)C2 1857676425 HBUYYYHWYMOION-QPUJVOFHSA-N 298.368 0.357 0 50 CCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc2[nH]ccc2c1 1875244539 UEGYEYQLAICYJW-AAVRWANBSA-N 288.303 0.425 0 50 CCAA COC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1 2579064 KAOMIKSYDXLMCD-NSHDSACASA-N 292.339 0.221 0 50 CCAA in-vitro C[C@@H]1CN(C(=O)Cc2csc(-c3nnc[nH]3)n2)CCN1 237598509 UKXPPRKMMRETIG-MRVPVSSYSA-N 292.368 0.291 0 50 CCAA Cn1cc([C@@]2(C)CN(C(=O)[C@@H]3CCCCN3)CCO2)cn1 237709936 AXLZDFUKMWSYDO-DZGCQCFKSA-N 292.383 0.636 0 50 CCAA C[C@H](C(=O)O)N1CCN(Cc2cccc(F)c2)C(=O)C1 131072155 SVGOQZMODQZXQJ-SNVBAGLBSA-N 280.299 0.943 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)C=C1CCC1 818378951 DDIQAYCHHNPXRM-AWEZNQCLSA-N 266.341 0.850 0 50 CCAA Cn1ccc([C@H]2CCCN(Cc3nc(=O)n(C)[nH]3)C2)n1 932134151 XPWIHDAJNIHHFJ-JTQLQIEISA-N 276.344 0.222 0 50 CCAA Cc1cc(C(=O)NC[C@@]2(CO)CCOC2)c(C)cn1 1875296360 SEMLRPDLJPUFMB-CQSZACIVSA-N 264.325 0.827 0 50 CCAA CN(C)C/C=C/C(=O)NCC[C@@]1(O)CCCOC1 1875376995 PJTWGSZOBXAVHI-LQPUYASZSA-N 256.346 0.152 0 50 CCAA Cn1cc2c(C(=O)N[C@@H](CC(=O)O)C(=O)O)cccc2n1 1875352772 DJQJGZCXCBZKMK-JTQLQIEISA-N 291.263 0.231 0 50 CCAA O=C1C[C@]2(CCN(C(=O)c3ccc4nc[nH]c4n3)C2)CN1 1772980018 KLYUTGSGOYENDD-CQSZACIVSA-N 285.307 0.310 0 50 CCAA CN1CCC(OCC(=O)N2C[C@H](N)C3(CCC3)C2)CC1 1775961831 CSTUCQCTZVIGHE-ZDUSSCGKSA-N 281.400 0.437 0 50 CCAA COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)NCCCc1nc[nH]n1 1775997893 OQIDAELNIWKCGR-RDDDGLTNSA-N 286.719 0.024 0 50 CCAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NCC(=O)NCC(F)(F)F 152264374 IVQXWCLQUYQVMS-ZRUAGYDASA-N 293.289 0.155 0 50 CCAA CN(CC[C@@H]1CCS(=O)(=O)C1)CC1(C)COC1 670437493 INCCQLZALDGDDZ-LLVKDONJSA-N 261.387 0.780 0 50 CCAA COC[C@@]1(C(=O)Nc2ccc(OC)nc2)CCNC1 382405178 YURJEFQDNWKYPB-CYBMUJFWSA-N 265.313 0.655 0 50 CCAA CCOc1ccc(S(=O)(=O)NC(C)C)cc1C(N)=O 1428353 SZDFJYHUGTVSLY-UHFFFAOYSA-N 286.353 0.871 0 50 CCAA Cc1nc(NC(=O)Cn2ccc(=O)cc2)nn1C(C)C 2100539674 TULUSGZIZSKPOT-UHFFFAOYSA-N 275.312 0.968 0 50 CCAA NC(=O)CSc1nnnn1-c1ccc(F)cc1 34969 DWTLUFHWIHQDMW-UHFFFAOYSA-N 253.262 0.379 0 50 CCAA CN(CCS(C)(=O)=O)C(=O)[C@H]1CCCCCC[C@@H]1N 225487455 HNADMRSETSDLAB-RYUDHWBXSA-N 290.429 0.787 0 50 CCAA O=C(CCn1ccnc1)N1CCOC[C@@]12CCOC2 281713625 GAHBDPRTLLKBQL-ZDUSSCGKSA-N 265.313 0.291 0 50 CCAA C[C@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H](C2CC2)O1 329929684 ZAOYMEYUICGTEW-WPRPVWTQSA-N 252.318 0.108 0 50 CCAA CO[C@]1(C(=O)N2CC[C@@H](c3nccn3C)C2)CCOC1 329944788 FLNIOSRPCBKFEB-BXUZGUMPSA-N 279.340 0.542 0 50 CCAA C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@]1(O)C1CCC1 219556156 FHAFVPDEIIYMML-OTYXRUKQSA-N 277.324 0.393 0 50 CCAA O[C@@]1(CNCc2cnn(Cc3ccccc3)c2)CCNC1 77376588 SUBWHNWCHPBURO-INIZCTEOSA-N 286.379 0.745 0 50 CCAA C[C@]1(CN2CCO[C@H](Cn3cccn3)C2)CCNC1 261979072 JBOAEILGLMLVTP-KBPBESRZSA-N 264.373 0.584 0 50 CCAA C[C@H]1OCCN(Cc2ccc3c(c2)CCO3)[C@@H]1C(N)=O 284468691 BCGXTRCTKSECNV-YGRLFVJLSA-N 276.336 0.696 0 50 CCAA CCN1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1cnn(C)c1 241776852 RTEDGJLAQBZRMY-KBPBESRZSA-N 292.383 0.284 0 50 CCAA CCOC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ncn[nH]1 82138270 UJHBEETWJZROSO-YUMQZZPRSA-N 285.279 0.103 0 50 CCAA CCO[C@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@@H]1O 223514535 LKPJOQCBHDBZNY-IUCAKERBSA-N 287.747 0.604 0 50 CCAA O=C(c1cc(C2CC2)[nH]n1)N1CCN([C@@H]2CCNC2)CC1 289242398 MXXXMFHRMSRRHK-GFCCVEGCSA-N 289.383 0.407 0 50 CCAA O=C(O)[C@@H]1C[S@](=O)[C@@H]2c3ccccc3C(=O)N12 197353612 HNMCOFXJWRAKBU-BVMSISANSA-N 251.263 0.357 0 50 CCAA CSc1ncccc1C(=O)NCc1n[nH]c(N)n1 220692491 RPXJTNZZVUMMGF-UHFFFAOYSA-N 264.314 0.434 0 50 CCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ocnc1C1CC1 616777287 YXZZXIVXPRIPMA-HOSYDEDBSA-N 288.307 0.853 0 50 CCAA Cc1cc(C)n2nc(Cc3nc([C@H]4CCOC4)n[nH]3)nc2n1 97463582 ZSQNWINKZWLBQF-JTQLQIEISA-N 299.338 0.954 0 50 CCAA Cn1ccnc1C1CCN(CCN2CCOCC2)CC1 91745549 WQEYLONOCWIZQQ-UHFFFAOYSA-N 278.400 0.932 0 50 CCAA NC(=O)[C@H](O)C1CCN(CCc2ccccc2F)CC1 299741492 FGKFWDCCUSBTKK-CQSZACIVSA-N 280.343 0.926 0 50 CCAA CSCC[C@H](N)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 299747998 FSWOVPFNAKOOHD-VLEAKVRGSA-N 285.413 0.192 0 50 CCAA CCN1C[C@H](NC(=O)c2oc(C)nc2C)[C@@H](OC)C1 534673748 LLBASUACSDVENX-QWRGUYRKSA-N 267.329 0.740 0 50 CCAA COCCN1C[C@@H](CN2CCc3n[nH]cc3C2)CC1=O 299761007 QGYMFJCPFFDSEZ-LLVKDONJSA-N 278.356 0.263 0 50 CCAA Cc1nc2cc(CNC(=O)Cn3cnnn3)ccc2n1C 827864848 ZWEGXXFGTJARNU-UHFFFAOYSA-N 285.311 0.185 0 50 CCAA C[C@@H](CN1CCCCC1)c1n[nH]c(CC(N)=O)n1 822182800 YJACJAXCNGQZQP-VIFPVBQESA-N 251.334 0.422 0 50 CCAA CN1CCCC[C@@H]1CC(=O)N1CCN(CCCCO)CC1 584889676 WMCJMFYSLITRRP-OAHLLOKOSA-N 297.443 0.778 0 50 CCAA C[C@@H](Nc1cncc(C(=O)N(C)C)n1)C(C)(C)O 823642006 QDEMQAHYPKEQJH-MRVPVSSYSA-N 252.318 0.750 0 50 CCAA CCOC(=O)N1CC[C@@H](NCc2csc(N)n2)C1 584894946 LZKRHVQASQBTLG-MRVPVSSYSA-N 270.358 1.046 0 50 CCAA CCn1cc(CNC(=O)N2C[C@H](N)C3(CCC3)C2)nn1 1553521124 UEIVSDXWDNGIKW-NSHDSACASA-N 278.360 0.321 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)c2cncnc2)C1 958528928 YTHZBEMGBJJWCP-BXUZGUMPSA-N 294.355 0.848 0 50 CCAA O=C(O)C(=O)NC[C@@H](CO)Cc1ccccc1Cl 170596122 DCEHCHZMPQXPIE-QMMMGPOBSA-N 271.700 0.692 0 50 CCAA CN(C)CCn1ccc(NC(=O)[C@@H]2CCCOC2)n1 170798219 SKXRDSKYEANTQN-LLVKDONJSA-N 266.345 0.810 0 50 CCAA C=CC(=O)NC1CCN(CC(=O)NC(C)C)CC1 408525867 ASSGNOSNIGURLL-UHFFFAOYSA-N 253.346 0.278 0 50 CCAA O=C(CCn1cccn1)NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 408501449 RBSFESNAOZSHAM-WOPDTQHZSA-N 297.380 0.908 0 50 CCAA CNC(=O)NC[C@@H]1COCCN1Cc1ccc(C)nc1C 640104664 IWPKCBKVOHQSST-CQSZACIVSA-N 292.383 0.828 0 50 CCAA CC1(C)CCCC[C@@H]1C(=O)NCCS(N)(=O)=O 192586633 ITDLWGKJZRWAJF-SECBINFHSA-N 262.375 0.608 0 50 CCAA NC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cc2ccccn2n1 655071380 KUPVWYDMFJTYFI-ZJUUUORDSA-N 258.281 0.784 0 50 CCAA Cc1ccc(CNC(=O)c2cc3n(n2)CCO3)c(=O)n1C 574442368 BKHOXQREQMECKD-UHFFFAOYSA-N 288.307 0.213 0 50 CCAA O=C(O)c1cccc(C(=O)N[C@H]2CCCS(=O)(=O)C2)n1 111910372 ZHTDVRMQZKOCDZ-QMMMGPOBSA-N 298.320 0.087 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cnccn3)C[C@H]2O)n[nH]1 1529197808 WUMAEBIKEILDAT-ZWNOBZJWSA-N 287.323 0.184 0 50 CCAA CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 2868597 QPGILVKALDKKHY-UHFFFAOYSA-N 256.327 0.687 0 50 CCAA CC(=O)OC[C@H]1O[C@@H](OC(C)=O)C[C@@H]1OC(C)=O 4984255 QAGMBTAACMQRSS-HBNTYKKESA-N 260.242 0.159 0 50 CCAA in-vitro CCC1CCN(S(=O)(=O)N(C)[C@@H](C)C(=O)O)CC1 656514446 CPDVBVMANQKBMH-VIFPVBQESA-N 278.374 0.758 0 50 CCAA COc1ccc(N2C(=O)CC(=O)NC2=O)c(OC)c1 6667458 XOCUTHHHHWKXLI-UHFFFAOYSA-N 264.237 0.677 0 50 CCAA OC[C@@]12CNC[C@@H]1CN(CCCC(F)(F)F)C2 1772819013 NNDSKANZAZUTMO-ZJUUUORDSA-N 252.280 0.843 0 50 CCAA CNC(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772813497 DHOXPZXTQIYHOH-SECBINFHSA-N 281.381 0.831 0 50 CCAA Cc1cc(CC(=O)N2CCN(C)C3(CCOCC3)C2)on1 1775978108 BIQLUPCWRRUFOT-UHFFFAOYSA-N 293.367 0.849 0 50 CCAA COC(=O)c1cccc(NC(=O)CN2CCOCC2)c1 19592552 DQFHJWSRGFWKDZ-UHFFFAOYSA-N 278.308 0.744 0 50 CCAA CCOC(=O)CSc1ncc(C(=O)OCC)c(N)n1 5408434 CBKZNEARDPSBAG-UHFFFAOYSA-N 285.325 0.891 0 50 CCAA NC(=O)CCC(=O)N1CCO[C@H](Cc2cccc(F)c2)C1 12075298 OKRMTQSWFSGNBB-CYBMUJFWSA-N 294.326 0.861 0 50 CCAA Cc1cc(C(=O)N[C@H]2C[C@H]3CO[C@H](C)CN3C2)nc(C)n1 1857731403 GXTSCYPLNJWNRS-WXHSDQCUSA-N 290.367 0.685 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)CCCn1cccn1 331711956 YUMWVFPSCYDPAH-NSHDSACASA-N 264.329 0.400 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccn(CC)n1 576875493 FLTRWTMTICZUDS-JQWIXIFHSA-N 267.329 0.827 0 50 CCAA NC(=O)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1 6702581 CQQZYRCXJGHKEQ-UHFFFAOYSA-N 286.328 0.712 0 50 CCAA CCCc1cnc(N2C[C@H]3COC[C@@H](C2)C(=O)N3C)nc1 1704329308 PXFDXJSPTDIAFI-OLZOCXBDSA-N 290.367 0.723 0 50 CCAA COC(=O)C[C@H](O)CNC(=O)/C=C/c1ccccc1 863018024 PCBWQAPJEJRATM-GUOLPTJISA-N 263.293 0.740 0 50 CCAA COC(=O)c1cc(-c2cnc3c(c2)C[C@@H](N)C(=O)N3)c[nH]1 1875355869 CSEGDPXQSGWONY-SNVBAGLBSA-N 286.291 0.685 0 50 CCAA CNC(=O)[C@@H]1C[S@](=O)[C@@H]2c3ccccc3C(=O)N12 1875321414 HTJJYMVDXADFRC-QSOSSPEWSA-N 264.306 0.018 0 50 CCAA COc1cc(O)ncc1C(=O)N1CCC(=O)N2CCC[C@H]21 888183687 IGBQTMXNYRCAFP-GFCCVEGCSA-N 291.307 0.590 0 50 CCAA C[C@@H]1CC[C@H](CS(=O)(=O)N(C)CC(=O)N(C)C)C1 1775989960 HLDXMVADDNSKKN-MNOVXSKESA-N 276.402 0.772 0 50 CCAA CNC(=O)c1ccc(CN2C[C@@H](C(=O)O)CC2=O)cc1 65431022 NQHGPMKUDCTDOY-NSHDSACASA-N 276.292 0.479 0 50 CCAA CSCC[C@H](NC(=O)Cn1ccnc1C)C(=O)O 426410747 SZFBEPKULRTIKQ-VIFPVBQESA-N 271.342 0.514 0 50 CCAA CCOC1CC(C(=O)N2CCNC(=O)[C@@H]2CC)C1 331913863 BGGJIGLRWLPJPM-ILDUYXDCSA-N 254.330 0.539 0 50 CCAA CN(C)[C@@H]1CCC[C@H]1NC(=O)c1cnc(N)s1 584901841 YVXSPQVPOIDDSD-HTQZYQBOSA-N 254.359 0.938 0 50 CCAA Cc1cc(C)nc(CN2CC[C@](C)(O)[C@H](O)C2)n1 1565528188 BTYFJALWBQHNST-YPMHNXCESA-N 251.330 0.411 0 50 CCAA C[C@@H]1CN(C2CC2)CCN1C(=O)CCCn1cncn1 2100534543 NDKRJUGXTYUACR-GFCCVEGCSA-N 277.372 0.753 0 50 CCAA Cn1c2sc3c(c2c(=O)n2nnnc12)CCCC3 343830 XHZFPIPEGNLRQD-UHFFFAOYSA-N 261.310 0.917 0 50 CCAA O=C1CS(=O)CC(=O)N1c1ccccc1Cl 392045 VSTPUZJQUPYSRB-UHFFFAOYSA-N 257.698 0.962 0 50 CCAA O=C1NC[C@H]2CN(C(=O)c3cc(C(F)F)[nH]n3)C[C@@H]12 2356149213 PJNOHAZNRVDVLX-NTSWFWBYSA-N 270.239 0.165 0 50 CCAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1 66115157 OPMAEQDSWAYZPX-LBPRGKRZSA-N 278.308 0.470 0 50 CCAA CN1CC[C@@](C)(CN(C)C(=O)CCn2cncn2)C1 67559452 JCJGCEKJGWEPGC-CYBMUJFWSA-N 265.361 0.468 0 50 CCAA C[C@H](NC(=O)Nc1cccnn1)c1nnnn1C1CC1 252489822 KBMKXSQBRDLHDV-ZETCQYMHSA-N 274.288 0.681 0 50 CCAA Cc1cc(N)n(CC(=O)N2CCC[C@H](c3ncn[nH]3)C2)n1 216497472 WYRCTZGWQHDXNI-JTQLQIEISA-N 289.343 0.298 0 50 CCAA Cc1ccc(S(=O)(=O)NCc2nnn(C)n2)cc1C 331113008 MCTYGCWRMBLPCJ-UHFFFAOYSA-N 281.341 0.305 0 50 CCAA CCc1nc(CN2C(=O)N[C@@]3(CCOC3)C2=O)cs1 126350634 JRRIYTMOBYIWKY-GFCCVEGCSA-N 281.337 0.916 0 50 CCAA COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](C)O 30768798 GUPVTMUHGSBJMS-JTQLQIEISA-N 273.354 0.971 0 50 CCAA C[C@@H](c1ccon1)N(C)C(=O)CCn1cnnn1 216469503 BORMEMNHEWXYIS-QMMMGPOBSA-N 250.262 0.271 0 50 CCAA CN(C[C@@H]1CCCN(CCO)C1)C(=O)c1cn[nH]c1 215012723 YKLNDXTZIQCQGX-NSHDSACASA-N 266.345 0.186 0 50 CCAA CCc1cc(N2C[C@@H](OC)C[C@H]2C(N)=O)nc(C)n1 284403597 BJGFGUPGLYWBHO-QWRGUYRKSA-N 264.329 0.426 0 50 CCAA C/C(=C\C(=O)NC[C@@H](O)CN1CCOCC1)C(C)(C)C 132343501 OBRNAPYFCFZCBW-CNELAYHGSA-N 284.400 0.788 0 50 CCAA O=C(CN1CCC[C@@H](O)C1)NCC1(Cn2ccnc2)CC1 223336397 XQIADULFCDGNGF-CYBMUJFWSA-N 292.383 0.236 0 50 CCAA Cn1c(CN)nnc1SC[C@@H]1CCC[C@H](N)C1 426552144 WZUOHUYFKVKURP-BDAKNGLRSA-N 255.391 0.883 0 50 CCAA N[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1 178351519 HJWPCGNRQAKOHE-GJMOJQLCSA-N 279.262 0.003 0 50 CCAA O=C(CN1C(=O)OC[C@@H]1c1ccccc1)N1CCNCC1 95503973 HESHUFNWJSOACU-CYBMUJFWSA-N 289.335 0.612 0 50 CCAA CN(CCn1cc[nH]c1=O)CCC1(O)CCCC1 244787695 QBVXIMXVRLLZNK-UHFFFAOYSA-N 253.346 0.803 0 50 CCAA O=C(CCn1cnnn1)Nc1ccc2c(c1)OCCCO2 524735380 YZJBUHOSDAQRPW-UHFFFAOYSA-N 289.295 0.863 0 50 CCAA COc1cccc(OCCNC(=O)[C@H]2C[C@H]2C(=O)O)c1 299747951 FNUWPECBAQNAGP-NWDGAFQWSA-N 279.292 0.911 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C 299739531 PSWBRSRIYCXZDN-SRVKXCTJSA-N 291.417 0.024 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)C2=O 536948687 AYZVBPBUFWIQAA-UHFFFAOYSA-N 268.313 0.703 0 50 CCAA CN1CCC(O)(C(=O)NC[C@H]2CCN(C3CC3)C2)CC1 823759629 ZFHQHDFTUWIQDI-GFCCVEGCSA-N 281.400 0.044 0 50 CCAA O=c1c2cccnc2ncn1[C@H]1COC[C@@H]1N1CCCC1 584894079 XGCYPWBLBIBVMC-STQMWFEESA-N 286.335 0.827 0 50 CCAA CN1C[C@H](C(=O)N2CCCNC(=O)C2)Oc2ccccc21 584885452 HNJZDCXKSNBFLK-CYBMUJFWSA-N 289.335 0.232 0 50 CCAA COCc1nc(C2CCN(C(=O)N(C)C)CC2)n[nH]1 670472983 RMUXULSCUDNJRP-UHFFFAOYSA-N 267.333 0.812 0 50 CCAA CC1CCN(CC(=O)N2CCOC[C@@H](CN(C)C)C2)CC1 670464073 MVUWETRYQSIZDD-HNNXBMFYSA-N 297.443 0.755 0 50 CCAA COC(=O)[C@H]1CC12CCN(c1cc(N)ncn1)CC2 1339579783 WZTQLDVOQUHEIQ-SECBINFHSA-N 262.313 0.838 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@]1(C)CCCC[C@@H]1O 859866038 SMDFKVUXWDQESP-FZMZJTMJSA-N 268.357 0.688 0 50 CCAA O=C(Nc1cccnc1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 245239355 ICXOFXLAPGLSDF-DBIOUOCHSA-N 262.265 0.898 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cc(C(C)=O)cn1C 77521223 JNBVBWLAXKUUSL-OCCSQVGLSA-N 292.383 0.265 0 50 CCAA CC(C)(C)OC(=O)N1CCn2nnc(C(=O)O)c2C1 91303682 SSGOLMOPQCDNIL-UHFFFAOYSA-N 268.273 0.727 0 50 CCAA in-vitro Cc1ccc(O[C@H](C)CNC(=O)[C@H]2C[C@@H](O)CN2)cc1 276703878 XIYKTCFKMQSTIT-YRGRVCCFSA-N 278.352 0.601 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)c1cc(F)ccc1C 213790003 ZHJZFRHGNNFMHZ-NWDGAFQWSA-N 252.289 0.851 0 50 CCAA C[C@H](NC(=O)c1ccc2nc(S)oc2c1)C(N)=O 170642024 DXMKETODOIJZAY-YFKPBYRVSA-N 265.294 0.720 0 50 CCAA CCN(CCCN(C)C)S(=O)(=O)N1CCC[C@@H]1C 170619202 WMQGPOQAKCGSRB-LBPRGKRZSA-N 277.434 0.989 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)nc(C)n1 408197329 HVIFNZRXFDLLNJ-KDDOJWQBSA-N 288.351 0.833 0 50 CCAA COC(=O)[C@@H]1[C@H](O)CCCN1CCCn1ccnc1 189546253 MBDRIBVXPLNLNK-NEPJUHHUSA-N 267.329 0.272 0 50 CCAA O=S1(=O)CC[C@@](O)(CNC2C3CC4CC(C3)CC2C4)C1 651391869 KYSUSRNYWIECNV-IDWKVMDRSA-N 299.436 0.950 0 50 CCAA CC(C)n1ccc(CC(=O)Nc2ccn(CC(=O)O)n2)n1 767125606 VHCZFUDPROIOMH-UHFFFAOYSA-N 291.311 0.926 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCCN(CCC)C(=O)C1 907664842 HBAZPBIDTNDRMI-UHFFFAOYSA-N 295.383 0.492 0 50 CCAA O=C(N[C@H](CO)C(=O)O)[C@H]1COc2ccc(Cl)cc2C1 739370008 DPNIQFUHMHYBHB-PSASIEDQSA-N 299.710 0.453 0 50 CCAA CN1CCO[C@H](C(=O)N(C[C@@H]2CCCN2)C2CC2)C1 186527194 AROOAZNMAAIWBF-AAEUAGOBSA-N 267.373 0.060 0 50 CCAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](F)C2)c(OC)c1 1616107650 FWNJEHPLSUXUCH-QWRGUYRKSA-N 269.272 0.859 0 50 CCAA CC1=C(C(=O)NCCCn2nc(C)nc2C)OCCO1 1506414529 DZAJTLYJDRILIO-UHFFFAOYSA-N 280.328 0.680 0 50 CCAA O=C(NC1CCC(CO)CC1)N[C@@H]1CC(=O)N(C2CC2)C1 1614867790 HBANNRMHFABSME-HTAVTVPLSA-N 295.383 0.600 0 50 CCAA O=C(O)[C@H]1COCCN(C(=O)c2n[nH]c3c2CCC3)C1 1772811659 WXXQYYFLHJLRLF-MRVPVSSYSA-N 279.296 0.072 0 50 CCAA COCCNC(=O)c1ccc(Cl)cc1-n1cnnn1 12389659 GDGHIMJQPIQZML-UHFFFAOYSA-N 281.703 0.692 0 50 CCAA COc1cccc(OC)c1OCCN1CCNCC1 19728626 MPBYYRHCOPMDSU-UHFFFAOYSA-N 266.341 0.988 0 50 CCAA CCN1CCN(C(=O)[C@@H]2CCn3nccc3C2)CC1 1857711349 VHQNLHOWFIDFGW-GFCCVEGCSA-N 262.357 0.610 0 50 CCAA CC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCc1ccncc1 1857724170 OLTDLDGGIOJWMD-KBPBESRZSA-N 273.336 0.846 0 50 CCAA Cc1nc(C)c(S(=O)(=O)N[C@H]2C[C@@](C)(O)C2)s1 331838097 ZEHSSOLJBOMDKT-WAAGHKOSSA-N 276.383 0.952 0 50 CCAA Cc1ncc(C(=O)N2C[C@@H]3CC[C@@H](N)[C@H]3C2)c(C)n1 248692760 YDBACHGWTLHNPC-WCFLWFBJSA-N 260.341 0.903 0 50 CCAA CC1(O)CN(S(=O)(=O)c2cccc(CC(=O)O)c2)C1 871953296 JPTJPYGWQHABEW-UHFFFAOYSA-N 285.321 0.069 0 50 CCAA CO[C@@H]1CN[C@H](C(=O)N2CCC(c3ccnn3C)CC2)C1 952750426 VSPFCNRQTQROBL-STQMWFEESA-N 292.383 0.503 0 50 CCAA NC(=O)C[C@@H]1CN(c2ccnc3c2CCCC3)C[C@H]1O 1875398097 BABIVISPLNQRFB-QMTHXVAHSA-N 275.352 0.633 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@]1(C)CCn2c(C)nnc21 1875333190 HIZMVVGSNIULGU-MUBLQREKSA-N 278.312 0.093 0 50 CCAA CO[C@H]1CCCCN(CC(=O)Nc2nccn2C)C1=O 886078414 YUMKHQHCNNDYQS-JTQLQIEISA-N 280.328 0.386 0 50 CCAA O=C(CN1CCC(CO)CC1)N[C@H]1CCNC12CCC2 1772254259 DCTGZQVHHZFEII-ZDUSSCGKSA-N 281.400 0.092 0 50 CCAA NC(=O)C1(NC(=O)c2cccc(O)n2)CCCCC1 283964542 LAEMJCFWQUEUFJ-UHFFFAOYSA-N 263.297 0.705 0 50 CCAA CNC(=O)CC1CCN(C(=O)c2ncccc2O)CC1 330973305 GVQQDDQODDNGJY-UHFFFAOYSA-N 277.324 0.776 0 50 CCAA C[C@H](O)Cc1nccn1CC(=O)N1CCOC(C)(C)C1 2325880179 XWDKFNXEBRTUTA-NSHDSACASA-N 281.356 0.444 0 50 CCAA Cc1ccc(C)c(CC(=O)N2CCN(C)C[C@H]2CN)c1 124345859 ZWEDTTLBUBVQFJ-OAHLLOKOSA-N 275.396 0.947 0 50 CCAA COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1 954 YKJYKKNCCRKFSL-RDBSUJKOSA-N 265.309 0.502 0 50 CCAA biogenic,in-vivo CC(C)(C)OC(=O)CCN1CCC(C(N)=O)CC1 53539 OFKHRVTUYSXHDZ-UHFFFAOYSA-N 256.346 0.916 0 50 CCAA C[C@@H](Oc1ccccc1)C(=O)Nc1c[nH]c(=O)[nH]c1=O 619177 AFEAPUSOAJZVMS-MRVPVSSYSA-N 275.264 0.469 0 50 CCAA biogenic,in-vitro COC(=O)C[C@@H](CN)NC(=O)OCc1ccccc1 2510803 TWGOBVDBXJWKML-NSHDSACASA-N 266.297 0.803 0 50 CCAA CCc1noc([C@]2(O)CCN(C(=O)[C@H](C)SC)C2)n1 225528061 PUBCNWAGWBZVKY-UFBFGSQYSA-N 285.369 0.803 0 50 CCAA CCNc1ccnc(N2CCCN(C(=O)COC)CC2)n1 65403816 HHFMQYJJYRSXNK-UHFFFAOYSA-N 293.371 0.594 0 50 CCAA C[C@H](c1nnnn1C)N1CCC[C@H]1c1cnn(C)c1 249495566 VZXTXTUFLGOHFP-KOLCDFICSA-N 261.333 0.842 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)NC[C@]2(O)CCOC2)n1 330467551 YIXYGQOMTUCTKF-DGCLKSJQSA-N 267.329 0.329 0 50 CCAA Cc1cc(CN[C@@]2(CO)CCOC2)nc(N(C)C)n1 252499036 RUDURPFURQSXHJ-CYBMUJFWSA-N 266.345 0.092 0 50 CCAA C[C@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@@H](C)N1 252656647 KNPANKPCMSNBMI-TUAOUCFPSA-N 256.346 0.248 0 50 CCAA O=S(=O)(NC[C@H]1CCn2ccnc2C1)C1CC1 328632787 SEKZMCSVATUREG-VIFPVBQESA-N 255.343 0.527 0 50 CCAA COC(=O)[C@@H]1CCn2c(Cc3ccccn3)nnc2C1 260309797 UHBJZJWLJXSMHR-SNVBAGLBSA-N 272.308 0.999 0 50 CCAA O=C1C[C@@H](C(=O)N2CC[C@@H](N3CCCC3)C2)CCN1 153392804 JLCLUIBXPFVLEY-NWDGAFQWSA-N 265.357 0.209 0 50 CCAA O=c1c(=N[C@H]2CCO[C@]3(CCOC3)C2)[nH]ccn1C1CC1 329492419 TWYRFCBELGWEJW-XHDPSFHLSA-N 291.351 0.750 0 50 CCAA CN(C[C@@H]1CCCOC1)C(=O)N1CCS(=O)(=O)CC1 330341348 ZDBWVWDAIGGJIM-NSHDSACASA-N 290.385 0.195 0 50 CCAA COC(=O)C1(C(=O)OC)[C@@H]2[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@H]([C@@H]2[C@@H]6[C@H]41)[C@H]53 239386715 QCFWGUDMZFEZIB-POKBDJNNSA-N 274.316 0.953 0 50 CCAA C[C@H](C(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1)S(C)(=O)=O 378049614 ZEUBVBSAADMJSW-OUAUKWLOSA-N 289.397 0.836 0 50 CCAA O=C(N[C@@H]1CCCCNC1)N1CC[C@@]2(CCCNC2)C1 334941080 OMBIEHICCDJNDJ-UKRRQHHQSA-N 280.416 0.914 0 50 CCAA O[C@]1(CNCc2ccc(-n3cncn3)cc2)CCNC1 72425596 DUOACXWNNSJQBZ-CQSZACIVSA-N 273.340 0.081 0 50 CCAA O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1Cc1ccncc1 225590805 HTMHCYIBYXFDHW-WYUUTHIRSA-N 258.277 0.744 0 50 CCAA Cc1c(C(=O)NCc2cnc3cnccn23)cnn1C 426573327 UVWHYVNBZGYPNC-UHFFFAOYSA-N 270.296 0.701 0 50 CCAA COCCc1noc([C@@H](C)NC(=O)C(C)(C)NC(C)=O)n1 426428880 QSMIYKKOENGGGK-MRVPVSSYSA-N 298.343 0.350 0 50 CCAA CCNC(=O)[C@@H]1C[C@H](N)CN1c1ncncc1C(C)C 91645369 ISJFBZBSPZRDDF-JQWIXIFHSA-N 277.372 0.642 0 50 CCAA CN1CC[C@@]2(CCC1=O)CN(Cc1ncc[nH]1)CCN2C 91738346 WKGUTGXTRZZGEH-HNNXBMFYSA-N 291.399 0.538 0 50 CCAA CCc1nc(N)nc(NC[C@@H](O)CN(C)C)c1C 95362147 GEXNOOUCYFWSGS-SECBINFHSA-N 253.350 0.264 0 50 CCAA CNC(=O)c1ccc(Cn2ncc(N(C)C)cc2=O)cc1 95374001 GJLAFAYXBBQSIC-UHFFFAOYSA-N 286.335 0.717 0 50 CCAA O=C(NCCN1CCCC1=O)c1ccc2nccn2c1 244817050 STOZCSVOANGLBI-UHFFFAOYSA-N 272.308 0.687 0 50 CCAA O=C(N[C@H]1CC[C@H](n2cnnc2)CC1)c1cnc(O)cn1 252612722 IUYGIZCDBLCEFC-MGCOHNPYSA-N 288.311 0.687 0 50 CCAA CCN1CC[C@H](N(C)C(=O)[C@H]2CCNC2)[C@@H](C)C1 299739827 RQANDDWVSGAEFW-AVGNSLFASA-N 253.390 0.785 0 50 CCAA CC[C@H](NC(=O)CCn1cccn1)c1ncnn1C 534658824 VFUYOVZVRULYKU-JTQLQIEISA-N 262.317 0.669 0 50 CCAA CN(C)C1(CNC(=O)CCCn2cnnn2)CCCC1 534656884 BCUNNLHRDQEFOY-UHFFFAOYSA-N 280.376 0.444 0 50 CCAA CO[C@H]1COCC[C@@H]1NS(=O)(=O)N1CCC(C)CC1 824506324 AGFUXQRQBQEHOG-RYUDHWBXSA-N 292.401 0.357 0 50 CCAA CN1CC[C@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)C1 584898129 PYVFWCVMCWDYMV-ZDUSSCGKSA-N 293.411 0.942 0 50 CCAA CCc1nnc(CNC(=O)CN(C)C2CCNCC2)s1 584892187 OGCBXZZBSBQZDC-UHFFFAOYSA-N 297.428 0.401 0 50 CCAA COCc1nnc(N2C[C@@H](C(=O)O)CC2=O)s1 585122789 JHAOZMKNZSEONT-YFKPBYRVSA-N 257.271 0.122 0 50 CCAA N[C@H]1CC[C@@H](C(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 1565527850 DAUHJQJINWOCDK-NEPJUHHUSA-N 286.339 0.610 0 50 CCAA CN1C[C@H](CNc2ncnc3[nH]ccc23)OCC1=O 885939057 PJYYMMJFPAUWTO-QMMMGPOBSA-N 261.285 0.227 0 50 CCAA C[C@@H]1OCC[C@@]12CN(C(=O)Cc1cncn1C)C[C@@H](C)O2 547748674 YPQMSXBKAUMRSM-TYNCELHUSA-N 293.367 0.758 0 50 CCAA COC[C@H]1CN(C(=O)c2cccn(C)c2=O)C[C@@H](C)O1 276039079 QSFKRFIOWKETGC-GHMZBOCLSA-N 280.324 0.261 0 50 CCAA Cn1[nH]c([C@@H]2CCCN2C[C@@H](O)C(F)(F)F)nc1=N 408007114 BNZZHNBHHDOBIK-NKWVEPMBSA-N 279.266 0.288 0 50 CCAA Cc1ccc(O)cc1C(=O)N1CCOC[C@@H](C(=O)O)C1 704019075 LOUQLLYGMNTRIN-JTQLQIEISA-N 279.292 0.874 0 50 CCAA CC(C)CN(CC(=O)O)C(=O)NCc1cc[nH]n1 554599019 LPQRIROXICXCHA-UHFFFAOYSA-N 254.290 0.662 0 50 CCAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC[C@]1(CO)COCCN1 585128602 HGVNLIMWLZSYHS-XPCVCDNBSA-N 282.384 0.280 0 50 CCAA O=C(CN1CCC(CO)CC1)N[C@]12CCC[C@@H]1NCC2 1615549814 WRKBQHVKXIUGOU-ZFWWWQNUSA-N 281.400 0.092 0 50 CCAA CCN(CCn1cccn1)CC(=O)Nc1ccn(C)n1 1506412465 DANSIIRQSLHKPM-UHFFFAOYSA-N 276.344 0.577 0 50 CCAA CCn1cc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cn1 1529174960 ZZFYXEJKZPLMOZ-UKRRQHHQSA-N 287.367 0.728 0 50 CCAA CN1CC[C@@H](N2CCC(Cc3nccn3C)CC2)C1=O 116278444 KNMKJNGQISILII-CYBMUJFWSA-N 276.384 0.905 0 50 CCAA COCCn1cc(CNC(=O)N2CCSCC2)cn1 225704813 VRIRALWMSQYUMY-UHFFFAOYSA-N 284.385 0.788 0 50 CCAA Cc1[nH]nc(C(=O)NC2(C(=O)N(C)C)CC2)c1C 622702922 HAUVVTVAFDVWAQ-UHFFFAOYSA-N 250.302 0.377 0 50 CCAA CC[C@H](C)N(CC(=O)O)C(=O)[C@@H]1CCC(=O)NC1 123636317 GCPFDCODIUCNKI-DTWKUNHWSA-N 256.302 0.224 0 50 CCAA CC(C)(C)CS(=O)(=O)N1CC(=O)N(CC2CC2)C1 669634802 AMORCQCOAGAAIK-UHFFFAOYSA-N 274.386 0.874 0 50 CCAA O=C1CC[C@H](NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C(=O)N1 247180401 RXXWCHQYIPLSAI-MMWGEVLESA-N 264.325 0.734 0 50 CCAA CC(C)N1C[C@H](CN2CCN(CCCO)CC2)CCC1=O 1775979550 JXWLOJJOFKCYSW-HNNXBMFYSA-N 297.443 0.633 0 50 CCAA C[C@H]1CCCCN1CCNC(=O)c1cnc(C(N)=O)cn1 1772704060 LUWDSKCTPNVMEL-JTQLQIEISA-N 291.355 0.180 0 50 CCAA Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 35993514 LHBPVAZBQPJKSL-UHFFFAOYSA-N 254.355 0.931 0 50 CCAA O=C(NCCCn1ccnc1)C(=O)Nc1nccs1 12436697 QUFVSXFMIQYLEU-UHFFFAOYSA-N 279.325 0.485 0 50 CCAA Cc1nc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)n(C)c1C 1857713623 SPBHPSFGFWKXHY-DOMZBBRYSA-N 290.367 0.570 0 50 CCAA O=C(N[C@H]1CCCNC1)c1ccccc1Cn1cncn1 124170460 ZZGYENPFMFGLDT-ZDUSSCGKSA-N 285.351 0.808 0 50 CCAA CNC(=O)[C@H]1CN(Cc2cccc3c2CCOC3)CCO1 639596249 JTLRRRKBUHCWJC-OAHLLOKOSA-N 290.363 0.706 0 50 CCAA CCOc1cc(N2C[C@H](OC)C[C@H]2c2nc[nH]n2)ncn1 343332731 GCUWLZXRJYNDJU-ZJUUUORDSA-N 290.327 0.960 0 50 CCAA CCN(C)C(=O)[C@@H](C)NC(=O)Cc1ccc2c(c1)OCO2 252479868 BOGNUCTXVHVURS-SNVBAGLBSA-N 292.335 0.941 0 50 CCAA CC(C)c1cccc(C(=O)N2CC[C@@](O)(C(N)=O)C2)n1 367668117 AHBAWPDCSSFDDA-AWEZNQCLSA-N 277.324 0.267 0 50 CCAA C[C@@]1(C(=O)NCc2ccc(CO)c(F)c2)CCC(=O)NC1 373857848 ZWRRTZKOXHWBCF-OAHLLOKOSA-N 294.326 0.851 0 50 CCAA CS(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 584485227 AMHVQLYALLECPH-YPMHNXCESA-N 295.364 0.435 0 50 CCAA O=C(NCCC1CCC1)c1cn([C@@H]2CC[C@H]2O)nn1 901007955 JHQFNASNLPZOPB-VXGBXAGGSA-N 264.329 0.894 0 50 CCAA CN(Cc1nc(=O)o[nH]1)C(=O)C(C)(C)C1CCC(O)CC1 911451876 QKUNPQWJLDLDEP-UHFFFAOYSA-N 297.355 0.899 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC(O)(c2ccccc2)C1 870235494 OUCLMBGJYHRFHM-UHFFFAOYSA-N 274.320 0.361 0 50 CCAA CNC[C@H](O)CN1CCN(CCc2ccccc2)CC1 952877383 PKIJGRCEFCQXAJ-INIZCTEOSA-N 277.412 0.427 0 50 CCAA CN(C)[C@@H]1C[C@@H](NS(=O)(=O)c2ncc[nH]2)C12CCC2 952882158 JBJPDBWYIDAMHK-NXEZZACHSA-N 284.385 0.561 0 50 CCAA COc1ncccc1C(=O)N1CC[C@H](Cc2nn[nH]n2)C1 1875286390 SGYMMPUJBAZMMK-SECBINFHSA-N 288.311 0.308 0 50 CCAA Cc1cc(F)cc2[nH]c(C(=O)N3C[C@@H](N)[C@H](N)C3)cc12 1875270245 ZSTMFTIOXAINOE-GHMZBOCLSA-N 276.315 0.726 0 50 CCAA Cc1ccncc1C(=O)N1CCc2c(cnn2C)[C@H]1C(N)=O 1875394654 QTFLVOFPYZUZJW-ZDUSSCGKSA-N 299.334 0.348 0 50 CCAA N=c1cc[nH]cc1C(=O)NC[C@@H]1Cc2ccccc2CN1 877343011 HSZZDVAUVNQGSO-ZDUSSCGKSA-N 282.347 0.938 0 50 CCAA CN1C[C@@H]2[C@H](CCN2C(=O)NCc2cncn2C)C1 894917076 ZBMKYKFQSVXFBH-ZYHUDNBSSA-N 263.345 0.266 0 50 CCAA CCCc1[nH]ccc1C(=O)N1CCN(CCO)C(=O)C1 1775986537 OYIPSVMARHIENN-UHFFFAOYSA-N 279.340 0.244 0 50 CCAA O=S(=O)(c1ccccc1O)N1CC(c2cc[nH]n2)C1 1775990191 VXGLOKSLBIPGGF-UHFFFAOYSA-N 279.321 0.903 0 50 CCAA CCN(CC)C(=O)CN(C)CCc1cnn(C)c1 77247552 RGERVGHVSWETLG-UHFFFAOYSA-N 252.362 0.763 0 50 CCAA CN(C)C[C@]1(O)CCN(c2ncc(Cl)cn2)C1 713638525 KJHCPELTVQSZEL-LLVKDONJSA-N 256.737 0.633 0 50 CCAA CN(C)c1ccc(C(=O)N2C[C@@H](O)[C@H](F)C2)cn1 952985474 STQJEQATFBNUGZ-NXEZZACHSA-N 253.277 0.302 0 50 CCAA C[C@@H]1CCc2c(sc3c2-c2nnnn2-c2nnnn2-3)C1 613117 TWLVHSAQIXBXHP-RXMQYKEDSA-N 286.324 0.805 0 50 CCAA CCOC(=O)N1CCN(c2ncc3ncn(C)c3n2)CC1 2100477096 FDPFCKCIZNGYHQ-UHFFFAOYSA-N 290.327 0.642 0 50 CCAA COc1cccc(CS(=O)(=O)N2CC=C[C@H]2C(=O)O)c1 2325765480 PCTLLMFTEQZRBR-LBPRGKRZSA-N 297.332 0.850 0 50 CCAA N=C(O)OC1CN(C(=O)CCCc2nc(C3CC3)no2)C1 2325870509 AHMLOPSINFDWJK-UHFFFAOYSA-N 294.311 0.990 0 50 CCAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1 556195 UFAPTAYBYWFFKM-ZDUSSCGKSA-N 292.335 0.860 0 50 CCAA COc1nc(C)cc(C)c1CNC(=O)c1nc(=O)n(C)[nH]1 2356134941 JNPBAMOMEHVJCP-UHFFFAOYSA-N 291.311 0.059 0 50 CCAA CN1C[C@@]2(CCN(c3ncc4c(ncn4C)n3)C2)OC1=O 2356166674 IMUBBDNORUZEII-CYBMUJFWSA-N 288.311 0.394 0 50 CCAA Cc1ccc(NC(=O)C[C@@H]2NCCNC2=O)c(C)c1 4357167 OBMGXFWGABZVEW-LBPRGKRZSA-N 261.325 0.720 0 50 CCAA COCc1nn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(=O)o1 225421355 RXVJNLNGVLUBHS-OUAUKWLOSA-N 297.355 0.924 0 50 CCAA Cc1ccc(OCCN(C)C[C@@H](O)CO)c(C)c1 55042448 ZHSNBZCCDQRLML-CYBMUJFWSA-N 253.342 0.967 0 50 CCAA CCOC[C@@H](O)CNC(=O)CC(=O)Nc1ccc(C)cc1 55060770 XYYMZZRZRMZJSJ-ZDUSSCGKSA-N 294.351 0.837 0 50 CCAA O=C(NCCCO)c1c(O)c2cccc3c2n(c1=O)CC3 100662906 HBKMDHNNSXHQTJ-UHFFFAOYSA-N 288.303 0.375 0 50 CCAA biogenic CS(=O)(=O)N(c1ccc(O)cc1)S(C)(=O)=O 115886664 SIUZLSPYLWSIST-UHFFFAOYSA-N 265.312 0.118 0 50 CCAA COc1nc(C)cc(C)c1CNC(=O)Nc1nnn[nH]1 23192924 GOXVNZGJWYQVKJ-UHFFFAOYSA-N 277.288 0.542 0 50 CCAA COc1cc(NC(=O)CCC(=O)O)nc(OC)n1 75885 YZOQTINITZAKRM-UHFFFAOYSA-N 255.230 0.297 0 50 CCAA CC(C)N1CCN(C(=O)c2csc(O)n2)CC1=O 329984147 QBOYOVDQYSPYDZ-UHFFFAOYSA-N 269.326 0.542 0 50 CCAA Cc1nc[nH]c1-c1nccn1CCN(C)S(C)(=O)=O 77439733 FUWIZEYEUSZEJH-UHFFFAOYSA-N 283.357 0.473 0 50 CCAA C[C@H](Cc1cnccn1)NC(=O)c1cccc(N)n1 215922776 NALQIKXHOYCIFC-SECBINFHSA-N 257.297 0.815 0 50 CCAA CO[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)=O 341628033 OAQPAVMCOMEEJR-FRRDWIJNSA-N 268.357 0.929 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)c3ncc(F)cc3F)[C@H]2C1 285256408 MEQCRKILODYIED-RYUDHWBXSA-N 297.305 0.905 0 50 CCAA CCNC(=O)CSc1nnc([C@H]2CCCNC2)n1C 426491076 QGUHMVVESPMZKP-VIFPVBQESA-N 283.401 0.510 0 50 CCAA CC(=O)NCCNC(=O)c1ccc(-c2cncn2C)cc1 426388087 YSXXNHVSDZRMQF-UHFFFAOYSA-N 286.335 0.953 0 50 CCAA O=C(NCCOc1ccccc1)[C@H]1CNCCO1 43801722 RUUBINFYDAOSCB-GFCCVEGCSA-N 250.298 0.170 0 50 CCAA COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@@H](C)N(C)C 426552121 ZFLJRXNLJSIJBL-CYBMUJFWSA-N 296.415 0.962 0 50 CCAA Nc1n[nH]c(CCNC(=O)[C@@H]2CC23CCCCC3)n1 426534126 WQHQWVDKGYKRMY-VIFPVBQESA-N 263.345 1.016 0 50 CCAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN[C@@H](C)C1 179179173 ICIFLGBQYNKAHV-VIFPVBQESA-N 289.339 0.817 0 50 CCAA Cc1nc(COCC(N)=O)n(CCc2ccccc2)n1 96147998 SLBUNBUMUVUHKS-UHFFFAOYSA-N 274.324 0.831 0 50 CCAA CCC[C@H]1CN(c2noc(C)n2)C[C@@H]1NC(=O)COC 91616637 VOHMTVWPKPGCSR-QWRGUYRKSA-N 282.344 0.746 0 50 CCAA COCCN1C[C@@H](Cc2cnc(N)cn2)CC1=O 244723683 MFMQZEWXIOQURA-VIFPVBQESA-N 250.302 0.096 0 50 CCAA Cc1cccn(CC(=O)N[C@@H](C)c2nc[nH]n2)c1=O 181479507 XGXPGDHNGSONJA-VIFPVBQESA-N 261.285 0.152 0 50 CCAA Cc1cc(N2CCOC[C@@H]2C(N)=O)nc(-c2ccncc2)n1 182030801 PCOWPWMRYKKKHO-GFCCVEGCSA-N 299.334 0.538 0 50 CCAA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cnccn1 252527450 CPIHKVJYWHCOJV-MGPQQGTHSA-N 298.346 0.984 0 50 CCAA O=C(NC[C@H](O)c1ccccc1Cl)[C@H]1C[C@@H](O)CN1 299747977 FQXKUAKRMBIXFE-FXAINCCUSA-N 284.743 0.212 0 50 CCAA Cc1cnn(CCNC(=O)c2nnc3nc(C)cc(C)n23)c1 534655078 ZZTOVIZFLCVIHU-UHFFFAOYSA-N 299.338 0.676 0 50 CCAA CCOC(=O)N1CC[C@@H](NCCn2ccnn2)C1 534581160 ZIOHNRQURFNCFX-SNVBAGLBSA-N 253.306 0.099 0 50 CCAA CN(C)C[C@H](O)CNc1ncc(F)c(N(C)C)n1 534640180 WGEVCGMGEYEPCK-MRVPVSSYSA-N 257.313 0.016 0 50 CCAA CSCC[C@H](C(=O)Nc1nnn[nH]1)n1cccc1 263588724 XTDXDDJMHNXEGU-MRVPVSSYSA-N 266.330 0.934 0 50 CCAA Cc1ncnc(C)c1C(=O)N1CCN(CCC(=O)O)CC1 534587162 SYYZJABOEHXELD-UHFFFAOYSA-N 292.339 0.326 0 50 CCAA CCCOCc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1 276709711 YGGRFOHEVQYIOM-HUUCEWRRSA-N 292.379 0.952 0 50 CCAA COCCN1CCC[C@H](C(=O)NCCc2nccn2C)C1 299775918 LTPQJQUFYADLOM-ZDUSSCGKSA-N 294.399 0.437 0 50 CCAA CCC1(C(=O)O)CCN(C(=O)c2n[nH]nc2C)CC1 299755770 CSRHWLMQBIEHDQ-UHFFFAOYSA-N 266.301 0.830 0 50 CCAA O=C(NCc1nc(O)n[nH]1)c1cccc(-c2cn[nH]c2)c1 828172144 VAYKAFPOGQOSJV-UHFFFAOYSA-N 284.279 0.830 0 50 CCAA CN1CC[C@@](C)(CNc2cncc(C(=O)N(C)C)n2)C1 823754945 GUWVYYFQEBDXEG-AWEZNQCLSA-N 277.372 0.932 0 50 CCAA Cc1cc(O)nc(CCNS(=O)(=O)N(C)C(C)C)n1 821724579 SOVKBUAGBICPIN-UHFFFAOYSA-N 288.373 0.208 0 50 CCAA CCOCC(=O)N1CCC(O)(CN2CCCC2)CC1 584903019 VAOLKRFIQTZPEI-UHFFFAOYSA-N 270.373 0.472 0 50 CCAA Cc1noc(C)c1Cn1cnc2nccnc2c1=O 584888923 VYIBOXALUBUCSD-UHFFFAOYSA-N 257.253 0.840 0 50 CCAA Cc1cc(O)nc(CCNC(=O)c2c(Cl)cnn2C)n1 584884623 UTZCIYJCVGRTQZ-UHFFFAOYSA-N 295.730 0.850 0 50 CCAA CC(=O)N[C@@H](CCC(N)=O)C(=O)NC1(C(C)(C)C)CC1 670452068 FQGBVXJLIFDNPI-JTQLQIEISA-N 283.372 0.452 0 50 CCAA COC(=O)N[C@@H](C)C(=O)N(C)Cc1c[nH]nc1C 670451741 JTBSPZVSJNXKPS-QMMMGPOBSA-N 254.290 0.421 0 50 CCAA Cc1nc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)n[nH]1 275409790 BJAOAWPHZXMAPG-ONGXEEELSA-N 290.327 0.871 0 50 CCAA Cc1csc(CN2CCO[C@@H](CN(C)CC(N)=O)C2)n1 275628334 JPCYRWVEKGWKFV-NSHDSACASA-N 298.412 0.069 0 50 CCAA CCc1cc(C(=O)N2CCN(CCO)[C@H](C)C2)[nH]n1 170085794 RVLWPPJOWGFDCY-SNVBAGLBSA-N 266.345 0.111 0 50 CCAA CCn1cnc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c1 408300268 HMNSVZNOTIPYPW-JTQLQIEISA-N 272.374 0.228 0 50 CCAA COCc1ncc(C(=O)N2C[C@@H](C)[C@@H](C)C2)c(=N)[nH]1 408305354 JGISSDYSEBVANA-DTORHVGOSA-N 264.329 0.764 0 50 CCAA CC(=O)N[C@H]1C(=O)N(c2nc3cccnc3s2)N=C1C 634608234 VRMSRYBYFCGVMM-SECBINFHSA-N 289.320 0.919 0 50 CCAA CC1(C)[C@H](NCc2c[nH]c(=N)[nH]c2=N)[C@H]2CCCO[C@H]21 638703587 IUPCKGULZNDEOI-GMTAPVOTSA-N 277.372 0.595 0 50 CCAA COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cnc2ccccn12 189593268 KKDWSGJWKWIKRZ-JSGCOSHPSA-N 289.335 0.833 0 50 CCAA CCN1CCN([C@@H]2CCN(Cc3ccnc(N)c3)C2)CC1 191488233 PFGXLWRQXPQNTG-OAHLLOKOSA-N 289.427 0.876 0 50 CCAA CN1CCN(C(=O)c2ccn(CC(F)F)n2)CC1=O 194177688 AKWRSPSJXXUMDE-UHFFFAOYSA-N 272.255 0.062 0 50 CCAA CN1CCN(C(=O)c2ccnc(Cl)c2)[C@H](CN)C1 195543046 YLIOVYYBRYLKEG-SNVBAGLBSA-N 268.748 0.450 0 50 CCAA CN(C)C[C@@]1(O)CCN(c2ccc3nccnc3n2)C1 713677595 NOOAUBGSQDFRHA-AWEZNQCLSA-N 273.340 0.528 0 50 CCAA O=C(O)[C@H]1CCCCN1C(=O)c1nc[nH]c2nccc1-2 659118776 AMLWRASHQGCVDD-SECBINFHSA-N 274.280 0.989 0 50 CCAA CCOc1cncc(N2CC[C@](O)(Cn3ccnn3)C2)n1 671466538 JVFIDPNXOKBCIH-CYBMUJFWSA-N 290.327 0.108 0 50 CCAA COCCOCCS(=O)(=O)Nc1cnn2ccccc12 585118783 BMLGZQZKZLUDNP-UHFFFAOYSA-N 299.352 0.739 0 50 CCAA Cn1cc(C(=O)N[C@@H]2CCCc3c[nH]nc32)nc1O 1629891285 YMWVECAYGKFFCS-MRVPVSSYSA-N 261.285 0.656 0 50 CCAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@H]1C[C@@H](O)CN1 1506418934 VGENYJVZAURHBI-DGCLKSJQSA-N 280.372 0.140 0 50 CCAA COc1ccc(CCC(=O)N[C@@H]2CCOC[C@H]2O)cc1 222710865 QTUSTMHRMGZGIQ-ZIAGYGMSSA-N 279.336 0.894 0 50 CCAA COc1ccc(C)nc1N1CC[C@@H](CS(N)(=O)=O)C1 1857678641 IVQPDUKDWWCXLU-SNVBAGLBSA-N 285.369 0.513 0 50 CCAA CCCCNC(=O)N[C@H]1CC(=O)N(c2cnn(C)c2)C1 1615585686 AIFQFALDOTUMRK-JTQLQIEISA-N 279.344 0.625 0 50 CCAA CCc1ocnc1C(=O)N(CCO)Cc1cnc(C)[nH]1 1704309582 XPEOOSMNSSDECQ-UHFFFAOYSA-N 278.312 0.903 0 50 CCAA Cc1c(Cl)c(C(=O)N[C@@]2(CCO)CCOC2)nn1C 622560356 CAWXPBCFKWKPPO-LBPRGKRZSA-N 287.747 0.653 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)C1C[C@@H]2CC[C@H](C1)S2 1875270438 SEXJXDWAFARMIR-CBLAIPOGSA-N 282.369 0.843 0 50 CCAA CNC(=O)CCN(C)c1cc(C(N)=O)c2ccccc2n1 1857678936 MUNWHBKTIQQIFH-UHFFFAOYSA-N 286.335 0.906 0 50 CCAA Cc1cnc(N2CCC[C@H]2CO)nc1N1CCC[C@H]1CO 242273771 YFTHVGZUQGDJKE-STQMWFEESA-N 292.383 0.707 0 50 CCAA COC[C@H]1COCCN1C(=O)[C@@H]1OCC[C@@H]1C(C)C 906464474 HMBVMJFEDBMGPC-YNEHKIRRSA-N 271.357 0.921 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCCN(C)C[C@@H]1CC 861490479 XYIGMPSUANDOKL-LBPRGKRZSA-N 267.373 0.574 0 50 CCAA FC1(F)C[C@@H]2CN(c3nnnn3[C@@H]3CCOC3)C[C@H]21 1875290341 UTFLPVGVAYFKRC-IWSPIJDZSA-N 271.271 0.726 0 50 CCAA O=C(NC[C@H]1COC[C@H]1O)c1cc2sccc2[nH]1 1875270470 DPFXAMQVYFRCBL-OIBJUYFYSA-N 266.322 0.967 0 50 CCAA Cc1nncc(CNC(=O)c2cc(O)nn2C)c1C 1875294447 SGIARVKBBRXCKA-UHFFFAOYSA-N 261.285 0.463 0 50 CCAA COC[C@@H](NC(=O)C1CCC(C(=O)O)CC1)C(=O)O 1875354719 MVBFXMJEBVTBTE-AMDVSUOASA-N 273.285 0.093 0 50 CCAA COC(=O)/C=C/CNC(=O)CCN1CCCCC1=O 1875333471 WTOQHCBXVOHYJM-GQCTYLIASA-N 268.313 0.234 0 50 CCAA CN(C(=O)Cn1c(C(C)(C)C)noc1=O)C1CC1 1875391315 CGNLTZLRGFTLSS-UHFFFAOYSA-N 253.302 0.755 0 50 CCAA CC(=O)NC[C@H]1C[C@H]2CC[C@H]1N(C(=O)[C@H]1CCC(=O)N1)C2 1875340348 XCVVKIUVSYMVLW-FDYHWXHSSA-N 293.367 0.028 0 50 CCAA O=C(C1OCCO1)N1CCO[C@@H](c2noc(C3CC3)n2)C1 1875311711 KSHWEIJPMBPNGF-SECBINFHSA-N 295.295 0.220 0 50 CCAA Cn1cnc([C@@H]2CN(C(=O)NCC(F)(F)F)C[C@H]2N)c1 1775962432 KOPMLQVTLSYJQO-HTQZYQBOSA-N 291.277 0.419 0 50 CCAA C[C@@H]1CC[C@@H](C)N(S(=O)(=O)C[C@@H]2CNCCO2)C1 310943266 LTMVHFAIPLADHJ-UTUOFQBUSA-N 276.402 0.425 0 50 CCAA CCCOc1ccc(C(=O)N[C@H]2COC[C@@H]2O)cc1 322972697 KILLWCSTKFCMFK-STQMWFEESA-N 265.309 0.965 0 50 CCAA COc1ccc(CN(CCO)C2CCOCC2)nn1 330434257 LNWJKORLEPRELE-UHFFFAOYSA-N 267.329 0.459 0 50 CCAA CNS(=O)(=O)[C@H]1CCCN(Cc2ccc(CO)cc2)C1 374912346 KCUZACNNDIEKNQ-AWEZNQCLSA-N 298.408 0.693 0 50 CCAA C[C@@H](O)C(=O)N1C[C@H](C(=O)O)[C@H](c2ccccc2)C1 909836625 PYEQNGMILMDWQP-USWWRNFRSA-N 263.293 0.694 0 50 CCAA CN(C)c1ccc(N[C@H]2CC(=O)N(N(C)C)C2=O)cc1 243268 TUAYASLEKCKWKH-LBPRGKRZSA-N 276.340 0.769 0 50 CCAA CCN1C(=S)N(CC)[C@]2(O)c3ccccc3C(=O)[C@]12O 322106 AWXQUUFLRKRMNZ-UONOGXRCSA-N 292.360 0.659 0 50 CCAA COc1cccc(OC[C@H](O)CN(C)S(=O)(=O)O)c1 2990462 QSXOTNWHAHAJQE-SECBINFHSA-N 291.325 0.170 0 50 CCAA O=C(NC[C@@H](O)c1cccc(O)n1)c1cnc2cccnn12 2356163120 YPKQPQNHPOUAFL-LLVKDONJSA-N 299.290 0.293 0 50 CCAA O=C1CC[C@H](C(=O)N2CCC[C@@H]2[C@H]2CCCO2)N1 342519370 OVYUCKDWOXGXGN-GMTAPVOTSA-N 252.314 0.435 0 50 CCAA C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN(C)[C@H](C)C(=O)O 225490630 GEDWIIRLMFCABX-SQSAGOEHSA-N 294.355 0.619 0 50 CCAA Cc1ccn2c(C(=O)N[C@@H]3C[C@H]4OCC[C@@H]34)nnc2n1 1074567127 AWYZPEDYGLGLDO-IVZWLZJFSA-N 273.296 0.340 0 50 CCAA Cc1nc(N2C[C@@H](CO)OC[C@H]2C)ccc1C(=O)O 228083947 RFQNNENRUQSIQG-SCZZXKLOSA-N 266.297 0.674 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)CCc2nc(C)no2)N(C)C1 346711372 YSIALNMRLFWWCJ-RYUDHWBXSA-N 296.371 0.488 0 50 CCAA CCNc1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3)cn1 65403455 KNLPHVMDWSVEIR-NEPJUHHUSA-N 275.356 0.875 0 50 CCAA CCn1cnc2c(c1=O)CCN(c1nccn3cnnc13)C2 329212649 IBOAGPMYXUZKGN-UHFFFAOYSA-N 297.322 0.264 0 50 CCAA CC(C)CN1CC[C@@H](C(=O)N(C)[C@H](C)C(=O)O)C1 521366014 USUVFIIDQKMBHL-GHMZBOCLSA-N 256.346 0.896 0 50 CCAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H]2CN)C1 252685013 HJMNGJBSZOETBC-TUAOUCFPSA-N 275.418 0.632 0 50 CCAA CCc1nc(CN2CCC[C@](O)(Cn3ccnn3)C2)no1 284607127 QJAGIYAAFVRZJQ-CYBMUJFWSA-N 292.343 0.251 0 50 CCAA Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1O 432564885 FOHCPSYMNQUQAG-UVLXDEKHSA-N 293.367 0.917 0 50 CCAA Cn1ccnc(N2CCC[C@@H](NCc3ncc[nH]3)C2)c1=O 331658968 VVFNLMUVOKCLKX-LLVKDONJSA-N 288.355 0.262 0 50 CCAA COc1cccc(OC[C@H](O)CN[C@H](C)CCO)c1 32587008 KFEGBVPAFCKJRS-VXGBXAGGSA-N 269.341 0.795 0 50 CCAA O=C(NCCCc1ccncc1)c1nc2ncccn2n1 216347245 NPKRTHNAKGHWRV-UHFFFAOYSA-N 282.307 0.882 0 50 CCAA COc1ncc(/C=C/C(=O)N2CC([C@H]3CCOC3)C2)cn1 377414034 UVHBVIHBGSVHDK-JDGPPOGSSA-N 289.335 0.993 0 50 CCAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1cnc[nH]1 241515741 OHQDQSNFBKQDAM-ZYHUDNBSSA-N 286.401 0.559 0 50 CCAA CC(=O)N[C@H]1CCN(C(=O)c2cnn(C3CC3)c2)C1 529495470 AWPBKCDJWGDGGY-NSHDSACASA-N 262.313 0.569 0 50 CCAA CNS(=O)(=O)CC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 456105666 SDQIIJBJJVYLAR-XZUYRWCXSA-N 284.381 0.206 0 50 CCAA Cc1cnc(C)c(Sc2nnc(CN)n2C)n1 426361868 AXNFUICVXCYEHT-UHFFFAOYSA-N 250.331 0.832 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@@H]1C=CC=CC3=C1[C@@H]2C=CC=C3 43762092 MJXCPQWFYXJXSF-TXEJJXNPSA-N 267.288 0.993 0 50 CCAA O=C(NCCN1CCCOC1=O)c1n[nH]c2c1CCC2 426484837 QOKXFGNDSHSYIV-UHFFFAOYSA-N 278.312 0.471 0 50 CCAA Cc1ccc(OCCS(=O)(=O)N2CCNC[C@H]2C)cc1 426387054 HUTYERZORJBKCP-CYBMUJFWSA-N 298.408 0.997 0 50 CCAA CN1CCCN(C[C@@H]2CCOC2)CC12CCNCC2 426517748 AUKOZARBVZYPIM-AWEZNQCLSA-N 267.417 0.783 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)C(=O)CCS2(=O)=O 95627037 YXFLECMRQFDZGN-UHFFFAOYSA-N 275.326 0.364 0 50 CCAA O=S1(=O)COCCN1Cc1ccccc1-n1cccn1 91845511 WUOHWDKGILFXRF-UHFFFAOYSA-N 293.348 0.992 0 50 CCAA CCN1CC[C@H](NS(=O)(=O)c2cccnc2)C1 359934264 ACVVXGPGQHFPJW-JTQLQIEISA-N 255.343 0.454 0 50 CCAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc2c1COC2 1940195299 KHPPOVMWOWZLQO-SNVBAGLBSA-N 281.333 0.634 0 50 CCAA Cc1nc(-c2cccc(C(=O)NC[C@@H](O)CO)c2)c[nH]1 299794676 LOMNVLOQLAZRGX-GFCCVEGCSA-N 275.308 0.468 0 50 CCAA COCCn1cncc1CNC(=O)CCc1cc(O)no1 299766749 RRKTUBMFCXSMDL-UHFFFAOYSA-N 294.311 0.472 0 50 CCAA O=C(Cc1ccncc1)NCCN1CCC[C@@H](CO)C1 828711117 GEOMEHMHGUBCDQ-CQSZACIVSA-N 277.368 0.445 0 50 CCAA C[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1nncn1C 828161284 YUXOQDJPRIIBQO-SNVBAGLBSA-N 297.322 0.887 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)c2cccnc2OC)C1 670465113 QFQYYMFESMMMFF-JTQLQIEISA-N 277.324 0.688 0 50 CCAA Cc1n[nH]c(C)c1CNCCN1CCCC[C@@H]1CO 952970579 AUYPGJBEDPGIOT-CYBMUJFWSA-N 266.389 0.963 0 50 CCAA O=C(NCCN1Cc2ccccc2C1)[C@@H]1COCCO1 170597049 JJQJLOOQEPBPAR-AWEZNQCLSA-N 276.336 0.534 0 50 CCAA C[C@@H]1CS(=O)(=O)CCN1C(=O)COCC1CC1 170635402 OREYDGUPOVPQQT-SECBINFHSA-N 261.343 0.059 0 50 CCAA CC(C)[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@H]1CC1(C)C 408360280 YOBINQLWGRPJOO-VHSXEESVSA-N 276.402 0.817 0 50 CCAA O=C(NCCOc1ccc(Cl)cc1)[C@@H]1C[C@@H](O)CN1 408525851 MZIKTBUPMNTFMP-PWSUYJOCSA-N 284.743 0.558 0 50 CCAA O=C(O)c1ccc(N2CCCNS2(=O)=O)cc1 1772717192 FVISNBNLAJLHGM-UHFFFAOYSA-N 256.283 0.429 0 50 CCAA CN1C[C@@H](C(=O)NCCc2ccccc2O)CC1=O 194638120 XPAWSNQFGNWKJP-NSHDSACASA-N 262.309 0.529 0 50 CCAA O=C(Cc1ccc2c(c1)CCO2)N[C@H]1CCO[C@H]1C(=O)O 659169498 CWASZUTWFACMET-SMDDNHRTSA-N 291.303 0.522 0 50 CCAA CC[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2C[C@H](C)[C@H](N)C2)C1 662983822 OAVFSAJATVMIGM-UMSGYPCISA-N 281.400 0.829 0 50 CCAA CN(CC(=O)NCc1nn[nH]n1)CC1CCCCC1 736782960 GIKUWXNJHTZPKH-UHFFFAOYSA-N 266.349 0.328 0 50 CCAA Cc1nnc(CN(C)[C@H]2CCN(C(C)(C)C)C2=O)n1C 1615045176 BMTSSZOOUAMDCP-NSHDSACASA-N 279.388 0.955 0 50 CCAA CCn1cc(CC(=O)N[C@@H]2C[C@@H](N)C23CCC3)nn1 1615555232 OTYFDWFQBRVYEW-GHMZBOCLSA-N 263.345 0.227 0 50 CCAA CO[C@H]1CCN(C(=O)c2cnn3ccc(N)cc23)C1 1615614332 GEOIPXKWFUDAMR-JTQLQIEISA-N 260.297 0.777 0 50 CCAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCCC1 3569663 QAUWPXBXFYIFGY-UHFFFAOYSA-N 298.364 0.969 0 50 CCAA O=C(c1cnccn1)N1CCCN([C@@H]2CCOC2)CC1 1800410611 XEFJUNQFCLJNPH-GFCCVEGCSA-N 276.340 0.413 0 50 CCAA Cn1nnc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=N)O)n1 333368680 YQELFHCKXDRWPK-OYNCUSHFSA-N 250.306 0.346 0 50 CCAA O=c1cc(-c2ccccc2)nc2nc(N3CCOCC3)[nH]n12 1738810687 PQHOMLGZCQARPN-UHFFFAOYSA-N 297.318 0.921 0 50 CCAA CCc1c(C)nc(N)nc1N1CCO[C@H](C(=O)O)C1 1772706497 SGGPJLIMQOTPER-VIFPVBQESA-N 266.301 0.219 0 50 CCAA CCc1nc(C)c(CN2C[C@@H]3CNC[C@@]3(CO)C2)[nH]1 1772700332 CVSNLYCLLJFOFJ-FZMZJTMJSA-N 264.373 0.294 0 50 CCAA C[C@@H]1CC[C@@H](C(=O)N2CC[S@@](=O)C(C)(C)C2)O1 205464508 CRBPOIBUWJAYPW-GPHJXTMHSA-N 259.371 0.923 0 50 CCAA CO[C@H]1CCC[C@@H]1NC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1857527878 RIROUGIWXYDOJP-WXHSDQCUSA-N 295.383 0.864 0 50 CCAA CCC[C@@]1(CO)CN(c2cncc(C(=O)O)n2)CC[C@H]1O 1857723988 GNTSJUWSVGSFIH-RISCZKNCSA-N 295.339 0.525 0 50 CCAA Cc1ccc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)nc1 1857730147 KJKKTHRHUXCMHL-HIFRSBDPSA-N 273.336 0.923 0 50 CCAA O=C(Cc1cc[nH]n1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1875244603 PEOUUXQMCFQIET-ZIAGYGMSSA-N 290.367 0.274 0 50 CCAA CCc1nc(C)sc1C(=O)N1CC[C@](C)(O)[C@H](O)C1 247980850 XCUBKDAVNVBYKU-MFKMUULPSA-N 284.381 0.972 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)CC[C@H]1C 399238097 HXKYOYZXYUJEQA-KCJUWKMLSA-N 251.330 0.941 0 50 CCAA COc1cc(N2C[C@H]3COC[C@@H](C2)CN3C)nc(OC)n1 1704312745 YFXLDYPNLDTKPT-MNOVXSKESA-N 294.355 0.261 0 50 CCAA CNC(=O)[C@]12CCOC[C@H]1CN(c1ncc(Cl)cn1)C2 952852387 HTHAFHMGVPBRCN-RNCFNFMXSA-N 296.758 0.719 0 50 CCAA O=C1NN(C2CCCCCC2)C(=O)[C@H]2OCC[C@H]12 1875269629 JSQMIBHWHJVRSY-QWRGUYRKSA-N 252.314 0.988 0 50 CCAA Cn1cncc1CC(=O)N1CCC(c2nc(O)n[nH]2)CC1 1875266566 BPEBJQYYOXSEAW-UHFFFAOYSA-N 290.327 0.193 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC[C@H](OC)C1(C)C 1875380703 XBRSFMXRLGAUMV-JTQLQIEISA-N 254.330 0.657 0 50 CCAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1N=c1ccn2nccc2[nH]1 1875398379 NVUUUIBNYVZGTJ-JHJVBQTASA-N 298.350 0.599 0 50 CCAA CC(C)n1cc([C@@H]2C[C@@H]2C(=O)NCc2nc(O)n[nH]2)cn1 1875332709 GBFULAUTGAXKJV-UWVGGRQHSA-N 290.327 0.708 0 50 CCAA CC(C)=C(Br)C(=O)NCCc1nc(=O)o[nH]1 1775991357 JVGZXUZHUCHGNE-UHFFFAOYSA-N 290.117 0.710 0 50 CCAA CC[C@@H](C)NC(=O)Cn1cnc2cn(C)cc2c1=O 1775992936 WXOTWGUQVIFRRG-SECBINFHSA-N 262.313 0.650 0 50 CCAA CCc1nccn1CCNC(=O)N1CCOCC1 534666989 ASWRAFWBHSOBBV-UHFFFAOYSA-N 252.318 0.487 0 50 CCAA Nc1ncc(C(=O)NCC2(n3nccn3)CC2)cc1Cl 2325786785 BJNZMSNKZIEOKC-UHFFFAOYSA-N 292.730 0.828 0 50 CCAA O[C@H]1C[C@@H](O)[C@]12CCCN(Cc1cncs1)C2 2325792540 PFMAYDOMEQTDNL-ZSBIGDGJSA-N 254.355 0.851 0 50 CCAA CC(=O)Nc1ccc(NC(=O)CCC(=O)NCCO)cc1 2252036 LWOFCXIYWOHPMN-UHFFFAOYSA-N 293.323 0.472 0 50 CCAA Cc1ccc(NC(=O)C(=O)NCCN(C)C)c(C)c1 2853583 YAZLABZHHFGDOB-UHFFFAOYSA-N 263.341 0.920 0 50 CCAA O=S(=O)(C1CC1)N1CCS[C@@H]2COCC[C@@H]21 134686583 UCBQLUOPOGRCJK-VHSXEESVSA-N 263.384 0.685 0 50 CCAA Cc1cc(NC(=O)CCSc2nnnn2C)no1 10861599 NRDKMCWLVIEOJA-UHFFFAOYSA-N 268.302 0.627 0 50 CCAA Cc1ccc(-c2cc(C(=O)N[C@H]3CCN(C)C3=O)[nH]n2)o1 20149352 LBDXQSJZQYEJBP-VIFPVBQESA-N 288.307 0.939 0 50 CCAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NC1CCC1 23214023 FJFLICIJXRWEQK-ZDUSSCGKSA-N 281.400 0.892 0 50 CCAA COCCc1nc(C2CCN(C)CC2)cc(=O)[nH]1 23506897 KKMWYWUJZQBJHP-UHFFFAOYSA-N 251.330 0.768 0 50 CCAA CCc1cc(CN2CCN(C)[C@@H](CCO)C2)on1 20783878 XSDBNEQCNITKKO-LBPRGKRZSA-N 253.346 0.735 0 50 CCAA C[C@H](C(=O)N[C@H]1CCN2CCCC[C@@H]12)n1cncn1 229387353 HTTKAWHYGRECSY-WOPDTQHZSA-N 263.345 0.582 0 50 CCAA Cc1nn(C)c(C)c1[C@H](C)C(=O)NS(=O)(=O)C(C)C 139305865 FPMUIOZEBWUOQV-QMMMGPOBSA-N 287.385 0.995 0 50 CCAA Cc1noc(C)c1NC(=O)N1CCN2CCN(C)C[C@@H]2C1 65393612 AVXCUGCWVUVKMX-GFCCVEGCSA-N 293.371 0.755 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N(C)Cc1cnc(N(C)C)nc1 332150503 OIEIYMFZOQIBGL-NWDGAFQWSA-N 278.356 0.926 0 50 CCAA O=C1CN(c2ncc(F)c(N3CCCC3)n2)CCCN1 65375619 DJGHGQXUZMFVMK-UHFFFAOYSA-N 279.319 0.542 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2CCn3ccnc3C2)nn1C 328630654 QCHAKOYJLYQUMC-LLVKDONJSA-N 273.340 0.917 0 50 CCAA O=C(CCn1cnccc1=O)N1CCOCC12CC2 329151396 AWUHAACXAFHQLB-UHFFFAOYSA-N 263.297 0.025 0 50 CCAA COCCOC[C@@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 332682836 KCMLKILJTKGLIL-GFCCVEGCSA-N 281.356 0.854 0 50 CCAA O=C(CNC(=O)c1cc[nH]c(=O)c1)OCc1ccccc1 152739236 NKETXQKBAHNZTO-UHFFFAOYSA-N 286.287 0.848 0 50 CCAA C[C@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@@H](C)N1 153915326 YMIINHOWGYUTAM-OUAUKWLOSA-N 253.346 0.064 0 50 CCAA C[C@@H](C(=O)N1CCO[C@@H](CC(=O)O)C1)C1CCOCC1 263292814 RLXJTAXEQJZMIZ-PWSUYJOCSA-N 285.340 0.751 0 50 CCAA Cn1cc(S(=O)(=O)NC[C@H]2CCCCN2)nc1Cl 237803880 YYPZBLSXMCFZNX-MRVPVSSYSA-N 292.792 0.494 0 50 CCAA COCCn1cc(CN2CCC[C@](F)(CO)C2)cn1 368036454 JHPDYDCUDRXTDG-CYBMUJFWSA-N 271.336 0.826 0 50 CCAA CC(C)(CNC(=O)Cc1c[nH]c2ncccc12)C(N)=O 156142621 QGSQKHWVWXQSOW-UHFFFAOYSA-N 274.324 0.733 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H](C(=O)O)C1 261899808 UYAAWOHFAGTJQT-DCAQKATOSA-N 271.313 0.504 0 50 CCAA CCc1nc(N)sc1C(=O)N1CCC[C@@](O)(CO)C1 72170298 IDIXHNWVNIDCJA-LBPRGKRZSA-N 285.369 0.247 0 50 CCAA COC(=O)[C@@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C 71973334 SCKQPFVBRJQINF-BDAKNGLRSA-N 259.302 0.920 0 50 CCAA CSCCC(=O)N1CCN(c2cnn(C)c(=O)c2)CC1 219652171 LYIFSWVTWOPXGE-UHFFFAOYSA-N 296.396 0.182 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc2nc[nH]c2n1 282253846 SSLHJRMTERUPPG-YUMQZZPRSA-N 273.296 0.355 0 50 CCAA CS(=O)(=O)NC[C@@H]1CCCN(c2ccc(F)cn2)C1 283406987 AOBBJIFIYBMMIX-JTQLQIEISA-N 287.360 0.986 0 50 CCAA COCCN1CCC[C@@H](CNC(=O)c2cccc(N)n2)C1 220493591 OOTDBNCCLQVPGN-LBPRGKRZSA-N 292.383 0.752 0 50 CCAA Cc1nccnc1C(=O)N[C@H](CO)Cc1ccc(O)cc1 613159736 OOXWKLYPQPZPTK-LBPRGKRZSA-N 287.319 0.824 0 50 CCAA N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)COc1ccccc1Cl 222556526 ILBMNYIMMVTHKI-DSMZTOPNSA-N 296.754 0.950 0 50 CCAA CC(C)COC[C@@H](O)CN1C(=O)[C@@H](C)[C@@H](C)C1=O 176630388 LSONCIUIYDTBGL-AXFHLTTASA-N 257.330 0.661 0 50 CCAA O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNc1cnccn1 527564618 LVYYIGMAOODNEM-IVZWLZJFSA-N 260.301 0.561 0 50 CCAA COCc1cc(NC(=O)N2CCN(C3CC3)CC2)ncn1 161620102 CMCRQIDZNGJDJM-UHFFFAOYSA-N 291.355 0.935 0 50 CCAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(CCN)C1 95383068 ORLSARPEBBQNOL-LBPRGKRZSA-N 289.387 0.198 0 50 CCAA CCN1C[C@@H](C(=O)NCCCn2cc(C)cn2)CC1=O 95386944 APZNJSUXZBNFSD-LBPRGKRZSA-N 278.356 0.566 0 50 CCAA O=C(NCCOCCO)c1cn2ccsc2n1 91645890 DENCZASNHWNKPS-UHFFFAOYSA-N 255.299 0.135 0 50 CCAA CCOCc1nc(CCC(=O)N(C)C)n(CC)n1 95391520 ZLYYRJWGLVGWNJ-UHFFFAOYSA-N 254.334 0.855 0 50 CCAA O=C(O)[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]1c1ccccn1 91694012 HULKEWUVRBVAHX-GHMZBOCLSA-N 296.348 0.674 0 50 CCAA COCCN1C[C@@H](Cc2cc(C)nc(N(C)C)n2)CC1=O 244866638 VZOVAPXSAPZWGA-LBPRGKRZSA-N 292.383 0.888 0 50 CCAA CN1CCN2CCN(C(=O)c3ccc(F)c(O)c3)C[C@H]2C1 253378346 CIIDUCQPYSILKJ-GFCCVEGCSA-N 293.342 0.603 0 50 CCAA O=C(CN1CCC[C@@H](O)C1)NCCCOC1CCCC1 534657464 KDIFFPPDRIAWIS-CYBMUJFWSA-N 284.400 0.909 0 50 CCAA CN1CCO[C@H](CNC(=O)CCc2cccn2C)C1 534673917 WPHYYCKIRSQFNH-CYBMUJFWSA-N 265.357 0.405 0 50 CCAA Cc1onc(C(=O)NCc2nc(CC(C)C)no2)c1CO 534673729 PJUFLQUMSULOQY-UHFFFAOYSA-N 294.311 0.987 0 50 CCAA COCC1(CNC(=O)CN2CCC[C@@H](O)C2)CCCC1 534583388 OLTQULHYWBSOLJ-CYBMUJFWSA-N 284.400 0.766 0 50 CCAA Cc1cc(C)n(CCCC(=O)NCCn2ccnn2)n1 534658112 GMVFTIGOYBFFAR-UHFFFAOYSA-N 276.344 0.688 0 50 CCAA CN1CCC[C@@H]1CCn1cnc2cn(C)nc2c1=O 584893809 OPZYCCJNKSVJOS-SNVBAGLBSA-N 261.329 0.614 0 50 CCAA CN1CCC[C@@H](CCNc2cncc(C(N)=O)n2)C1 584893735 YSYWESKRJKBKRH-JTQLQIEISA-N 263.345 0.719 0 50 CCAA CCc1cc(N[C@H]2COC[C@@H]2O)nc(N2CCCCC2)n1 584889863 NRNDSLRAWUABEH-STQMWFEESA-N 292.383 1.201 0 50 CCAA COC(=O)c1cc([S@](=O)O)c(C(=O)OC)s1 675062033 AHMBSHCHTXJHAR-UHFFFAOYSA-N 264.280 0.902 0 50 CCAA C[C@H](O)CN1CCCN(C(=O)[C@]2(F)CCOC2)CC1 981821610 OYEUJQPQMKDNPF-AAEUAGOBSA-N 274.336 0.030 0 50 CCAA CC(C)[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 245339315 RXQFNSCMOHOTIK-KKOKHZNYSA-N 266.341 0.537 0 50 CCAA CN1CCCCC[C@@H]1C(=O)N1CCC2(CC1)CNC(=O)C2 952874006 SQFHYWWSFYUFMV-CYBMUJFWSA-N 293.411 0.990 0 50 CCAA Cc1csc(S(=O)(=O)N[C@H]2CCC(=O)NC2=O)c1 1475121269 XJMCWIKYEIRQLA-ZETCQYMHSA-N 288.350 0.140 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1ccn(C)c1 643940434 IEGLSORNCATTMY-ZDUSSCGKSA-N 265.313 0.132 0 50 CCAA CCn1cc(CC(=O)N[C@@]23CCC[C@@H]2NCC3)nn1 1615547785 QATHNRBYWGAEAC-WCQYABFASA-N 263.345 0.241 0 50 CCAA Cn1cc(C(=O)N2CCC(Cn3cccn3)CC2)nc1O 1615557202 NKQUNBJJLQPDRB-UHFFFAOYSA-N 289.339 0.875 0 50 CCAA Cc1cc(C)n(C[C@H](C)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)n1 1506400388 MFGVNBVOXRTMHX-RBZJEDDUSA-N 293.411 0.952 0 50 CCAA CCCCCNC(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225643940 QQGWDZUOHHCMMG-ZNSHCXBVSA-N 253.298 0.947 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)CCc1ccncc1)C2 1704310135 PFJDDABQCBIJJU-GJZGRUSLSA-N 289.379 0.803 0 50 CCAA N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CO 16697407 YXCPNFNWSNFFFZ-NWDGAFQWSA-N 250.298 0.575 0 50 CCAA in-vitro O=C(O)[C@@H]1CCN1S(=O)(=O)c1cncc(F)c1 384552475 WRUJNFHGUUWDDG-QMMMGPOBSA-N 260.246 0.068 0 50 CCAA CCc1ncnc(N2C[C@@H]3CNC[C@]3(CN(C)C)C2)c1F 1772712248 QDZGDZQCJIAYRS-NHYWBVRUSA-N 293.390 0.766 0 50 CCAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCOCC1 11844124 SZCWOAWDWNIEPZ-GFCCVEGCSA-N 297.399 0.082 0 50 CCAA CCc1ncnc(N2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)c1F 621337303 ULQHUGCSOQJAES-GZMMTYOYSA-N 292.318 0.915 0 50 CCAA O=C(N[C@@H]1C=C[C@H](CO)C1)C1(N2CCOCC2)CCCC1 367198127 YOSIJNWZDWWDPI-UONOGXRCSA-N 294.395 0.685 0 50 CCAA COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(N)=O 4866926 ZVNSTCFVJPITGX-QMMMGPOBSA-N 272.326 0.156 0 50 CCAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ncc[nH]3)C1)CC2 1704337018 QDJHPBLOMIXXGR-HNNXBMFYSA-N 298.350 0.902 0 50 CCAA CN1CCC[C@]2(CO)CCN(c3cnccn3)C[C@@H]12 1704328989 QODVUYBFSVCMFR-TZMCWYRMSA-N 262.357 0.760 0 50 CCAA C[C@H](C(=O)NCCn1cnccc1=O)c1cccc(O)c1 823634874 PTBLDJGTIXVWIS-NSHDSACASA-N 287.319 0.869 0 50 CCAA C[C@@H](O)c1n[nH]c(CNC(=O)N[C@@H]2CCCC23CC3)n1 1875337720 ZWVCJXJPDYYQHJ-RKDXNWHRSA-N 279.344 0.990 0 50 CCAA CCO[C@@H]1CN(C(=O)c2cc(C)sn2)C[C@H]1CO 888100739 MTZXPTATDAOXHU-GXSJLCMTSA-N 270.354 0.921 0 50 CCAA CCOCC(=O)N[C@@H](Cc1ccccc1O)C(=O)O 1775992463 SQVAWHKARXXHFB-JTQLQIEISA-N 267.281 0.541 0 50 CCAA O=S1(=O)CCC[C@]2(C1)Nc1ccccc1-c1nnnn12 1775997975 WUXHZLZMCVMHIE-LBPRGKRZSA-N 291.336 0.627 0 50 CCAA Cc1ccnn1CC(=O)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961465 CAOGMTKFLVKXMF-MNOVXSKESA-N 290.327 0.346 0 50 CCAA Cc1[nH]ncc1C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 285877643 RRSOUJYCOWWEDN-VXGBXAGGSA-N 264.329 0.263 0 50 CCAA CCOc1nc(C(=O)N2CCC[C@@](CO)(OC)C2)co1 617800892 BTBTUFAOCKDRHH-CYBMUJFWSA-N 284.312 0.687 0 50 CCAA Cc1cccc(N2CCN(C[C@@]3(O)CCNC3)CC2)c1 694135305 OKROROKCLULMSK-MRXNPFEDSA-N 275.396 0.841 0 50 CCAA CC(C)(CCNC(=O)c1cnc2cccnn12)C(=O)O 901686367 GWFMYOOOJVPBFD-UHFFFAOYSA-N 276.296 0.960 0 50 CCAA OC[C@@H]1CN(Cc2noc3c2CCCCC3)C[C@H](CO)O1 2325807633 IWMKFMGTVOKSED-TXEJJXNPSA-N 296.367 0.498 0 50 CCAA CC1(C)OC[C@H](CNC(=O)NC[C@H]2COC(C)(C)O2)O1 403263 RPNILTMIKUTCIE-UWVGGRQHSA-N 288.344 0.589 0 50 CCAA O=C(O)CSCc1nnnn1-c1ccccc1 4218245 SEXNJZHDTHLLPM-UHFFFAOYSA-N 250.283 0.980 0 50 CCAA CCOC(=O)c1nnn(-c2nonc2N)c1C(F)(F)F 4281563 FMZBEDVUXQXMAS-UHFFFAOYSA-N 292.177 0.428 0 50 CCAA NC(=O)c1cc(C(=O)NC[C@@H](O)c2ccccc2)c[nH]1 919743816 ZFYZAEZGNNIMRX-GFCCVEGCSA-N 273.292 0.577 0 50 CCAA O=C(NCCc1ncc[nH]1)[C@H]1CC(=O)N(C2CCCC2)C1 65425949 SWUIPPRVIQGZJC-NSHDSACASA-N 290.367 0.860 0 50 CCAA COCC1(C(=O)NCCN2CCCOC2=O)CCC1 65462249 COTFTTBAZFSEOM-UHFFFAOYSA-N 270.329 0.762 0 50 CCAA CCCCn1ncc(C)c1NC(=O)C[C@@H]1NC(=O)NC1=O 63857621 HPVOEGJKDUWJRY-VIFPVBQESA-N 293.327 0.528 0 50 CCAA CCOc1ccccc1C(=O)N1CCN(C)[C@@H](C(=O)O)C1 67789994 KPOVVIYWCRLZEM-GFCCVEGCSA-N 292.335 0.926 0 50 CCAA O=C(c1ccon1)N1CCC[C@H](Cn2ccnn2)C1 125778347 BFRDWZKGGNXXIQ-JTQLQIEISA-N 261.285 0.819 0 50 CCAA Cc1nn(C)c2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 72480884 RPCQGCYORKFWKG-SECBINFHSA-N 295.368 0.518 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CC(=N)O)C1 332679472 SNOIRURTZFEDIM-QWRGUYRKSA-N 269.345 0.623 0 50 CCAA Cc1nccc(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)n1 215345774 IBJMSTUNGOUVRI-UHFFFAOYSA-N 299.334 0.888 0 50 CCAA C[C@@H]1C[C@@H](CO)CN(C(=O)NC[C@H]2CCCO2)C1 333704071 HLXUTGDVBIVPAD-IJLUTSLNSA-N 256.346 0.825 0 50 CCAA Cc1cc(C[C@@H](C)NC(=O)C(=O)c2cccn2C)[nH]n1 220001365 KEINMSNHCNEBRH-SECBINFHSA-N 274.324 0.987 0 50 CCAA COc1ccc(CNC(=O)N(CCO)CCN(C)C)cc1 426582727 CDWVBHUHUUINDH-UHFFFAOYSA-N 295.383 0.761 0 50 CCAA Cn1ncc2c(N3CC[C@@]4(CCOC4)C3)ncnc21 176788920 RPZQWZSSOMYAQP-CYBMUJFWSA-N 259.313 0.980 0 50 CCAA COCCc1nc(CNC(=O)c2ccco2)no1 222587298 OJCSWIQQUVBIIH-UHFFFAOYSA-N 251.242 0.782 0 50 CCAA C[C@@H](C(=O)N(C)CCCc1nccn1C)N(C)C 426420118 NYLHTTVSMHZFEP-NSHDSACASA-N 252.362 0.761 0 50 CCAA O=C(NCCn1cc(Cl)cn1)[C@H]1CC(=O)N(C2CC2)C1 91974267 AOOYWDHZUGBFKI-VIFPVBQESA-N 296.758 0.664 0 50 CCAA CC1(C)SC[C@H](C(=O)NCc2ccon2)NC1=O 97657313 UNAILUCHAXHDAO-MRVPVSSYSA-N 269.326 0.301 0 50 CCAA Cc1cc(F)ccc1CC(=O)NC[C@]1(O)CCCNC1 244882627 XVIFFOLPXWAVRV-HNNXBMFYSA-N 280.343 0.907 0 50 CCAA COC1=C[C@@]23[C@H]4[C@H]5[C@H]6[C@H]5[C@H]2n2c(=O)n(C)c(=O)n2[C@@H]6[C@]43C=C1 248022226 IDJQKWWEOAOOGI-FJGVRCSHSA-N 297.314 0.036 0 50 CCAA COc1cc(C(=O)NCC[C@@]2(O)CCCOC2)sn1 622128320 ZFFVEVXTTGFDMC-LBPRGKRZSA-N 286.353 0.813 0 50 CCAA O=C(O)C[C@H]1CN(C(=O)c2cccc3c2OCO3)CCO1 299747059 BZWVNBRXQCFMJV-VIFPVBQESA-N 293.275 0.731 0 50 CCAA CNC[C@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 299738722 FNSHXRXDIHSSEG-CYBMUJFWSA-N 287.407 0.941 0 50 CCAA NC[C@@H]1CCCCN1C(=O)CCn1ccccc1=O 237828948 BLAOMKRKETXVID-LBPRGKRZSA-N 263.341 0.578 0 50 CCAA Cn1cccc1C(=O)C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 354479467 CUTKNVQPNJZSIC-SNVBAGLBSA-N 287.323 0.732 0 50 CCAA CC(C)c1cc(N[C@@H]2CS(=O)(=O)C[C@H]2O)ncn1 95388566 UOXPPFBKVQGEEI-NXEZZACHSA-N 271.342 0.170 0 50 CCAA Cc1ccc(NC(=O)NCCc2n[nH]c(=O)n2C)cc1 299787123 TVDYTTNRPDBKDT-UHFFFAOYSA-N 275.312 0.781 0 50 CCAA COCCCCN1CCN(C(=O)c2[nH]cnc2C)CC1 584889936 XAIFPUTVSPZGFL-UHFFFAOYSA-N 280.372 0.903 0 50 CCAA Cc1cc(CNC(=O)Cn2c(C)cc(C)nc2=O)ccn1 584884947 DKAAAZCXKBHJJU-UHFFFAOYSA-N 286.335 0.880 0 50 CCAA C[C@@H](O)CN1CCCN(C(=O)[C@@]2(F)CCOC2)CC1 981821611 OYEUJQPQMKDNPF-DGCLKSJQSA-N 274.336 0.030 0 50 CCAA C[C@H](O)C(=O)N[C@](C)(CO)Cn1cnc2ccccc21 1363690506 GWPNYUSJUFBUNT-HZMBPMFUSA-N 277.324 0.284 0 50 CCAA CN(CCCN(C)C(=O)c1cocn1)CC(=O)N(C)C 1380948143 IVMUFBLGOSHPKG-UHFFFAOYSA-N 282.344 0.157 0 50 CCAA NC(=O)[C@H]1CCC[C@@H]1NCCOCC(F)(F)F 170089214 VPHDCUQNSZLQKK-YUMQZZPRSA-N 254.252 0.809 0 50 CCAA COc1ncc(C(=O)N2CCCC[C@H]2[C@H](C)N)cn1 408525456 NJWDJHNTPHFQKB-ONGXEEELSA-N 264.329 0.827 0 50 CCAA COCCCN(CCO)c1nccn2nc(C)cc12 192359570 UFQHTXCYTGLRDT-UHFFFAOYSA-N 264.329 0.873 0 50 CCAA NC(=O)c1cc(C(=O)NS(=O)(=O)c2ccccc2)co1 760180679 AWEPKBMXEONWJK-UHFFFAOYSA-N 294.288 0.497 0 50 CCAA C[C@H]1CN(C(=O)c2ccc3c(c2)COB3O)C(C)(C)CO1 584970561 QFMNRAMLUVZFAR-JTQLQIEISA-N 289.140 0.544 0 50 CCAA Cc1cc(COCC(=O)N2C[C@@H]3CCC[C@]3(N)C2)no1 1615554862 VVBUJOYZKBAQIM-FZMZJTMJSA-N 279.340 0.839 0 50 CCAA Cc1cc(C(=O)N[C@H](C)c2nnnn2C)nn1C(C)C 1615554932 ZNHLQRPSGSGDOG-SECBINFHSA-N 277.332 0.787 0 50 CCAA C[C@H](CN(C)c1nccnc1C(=O)O)N1CCOCC1 1506407064 LWWPFPFPCYLRCV-SNVBAGLBSA-N 280.328 0.332 0 50 CCAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 1434028762 AKRRTLFKSJWORN-GFCCVEGCSA-N 299.396 0.626 0 50 CCAA Cc1cccc(CN2CCC[C@](O)(CC(N)=O)C2)n1 643805572 NIPCCXNKWARYBV-AWEZNQCLSA-N 263.341 0.592 0 50 CCAA COC[C@@H](O)CN1CCOC[C@@H]1c1cccn1C 131976521 IAMXUGHHHLYNJP-WCQYABFASA-N 254.330 0.406 0 50 CCAA COc1cccc(C=c2sc3ncnn3c2=O)c1 254589453 GPAILHIWTYCPLM-UHFFFAOYSA-N 259.290 0.707 0 50 CCAA C[C@H](NC(=O)[C@H](C)OC[C@H]1CCCCO1)C(=O)O 263018245 SGFDBDXBIHZALF-LPEHRKFASA-N 259.302 0.550 0 50 CCAA CC(C)N(C)S(=O)(=O)N1CCCC[C@H]1C1OCCO1 247967234 GSSZNBAZIXJTOI-NSHDSACASA-N 292.401 0.799 0 50 CCAA Cc1cccc([C@@H](C)NC(=O)c2cnc(C(N)=O)cn2)n1 1772708096 DURACGUWAWNOMK-SECBINFHSA-N 285.307 0.770 0 50 CCAA O=C(CCC(F)(F)F)N1C[C@H]2CNC[C@@]2(CO)C1 1772701050 HCUPORQSVKWQCA-SCZZXKLOSA-N 266.263 0.369 0 50 CCAA COc1nc(N(C)Cc2nc(C)no2)ncc1F 1772702789 WLDVEGSICLIRCD-UHFFFAOYSA-N 253.237 0.952 0 50 CCAA O=C(CCc1ccc(O)nn1)N1CCC(C2(O)CC2)CC1 1772819389 KOMOGSFFNBGZDR-UHFFFAOYSA-N 291.351 0.878 0 50 CCAA CCCn1cc(C(=O)N2CCC([C@@H](O)CO)CC2)c(C)n1 1772711851 KUIXJLXZDQDYMZ-AWEZNQCLSA-N 295.383 0.807 0 50 CCAA CN1C(=O)C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1=O 17730142 IJNXQOMREGZEBR-CYBMUJFWSA-N 291.326 0.705 0 50 CCAA Cc1cc(CC(=O)N2CCOC[C@@H](C(=O)O)C2)cc(C)n1 1857681801 BCCCLQBZRJZPDJ-ZDUSSCGKSA-N 292.335 0.801 0 50 CCAA COc1cnc(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)nc1 629920073 DDCFADCPJYCZGI-LLVKDONJSA-N 290.323 0.368 0 50 CCAA COc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2)ccc1C 237355273 KEKFKSIWDAOZGJ-VXGBXAGGSA-N 264.325 0.343 0 50 CCAA O=C(O)[C@@H]1CCCCN1C(=O)Cn1cc(C2CC2)nn1 128619872 DBRXTRKYLZXOLS-NSHDSACASA-N 278.312 0.621 0 50 CCAA C[C@H](C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O)S(C)(=O)=O 659248270 YPRXETPVLQQXLU-ZOZBQHSOSA-N 289.353 0.035 0 50 CCAA CN(C)C(=O)c1cncc(N(C)C[C@H]2CCC[C@@H]2O)n1 342773460 BKENBFGNCQALPS-PWSUYJOCSA-N 278.356 0.776 0 50 CCAA CN1C[C@@H]2[C@H](CCCN2Cc2nnc(C3CC3)n2C)C1=O 345009942 FUGSGJMCGMAWNK-NWDGAFQWSA-N 289.383 0.745 0 50 CCAA O=C1CC2(CCC2)N(Cc2nncs2)CCN1 931621894 WEMCDAFJPQBJLT-UHFFFAOYSA-N 252.343 0.783 0 50 CCAA CC(=O)N[C@H]1CC12CCN(CCC1OCCO1)CC2 952894009 LITSYUCZXVGNDR-LBPRGKRZSA-N 268.357 0.740 0 50 CCAA Cc1cc(C)n2nc(CC(=O)N3Cc4c[nH]nc4C3)nc2n1 1875255880 JRAOJRVMUJORPF-UHFFFAOYSA-N 297.322 0.549 0 50 CCAA Cc1ccc2c(ccn2CCC(=O)N2C[C@@H](O)[C@H](O)C2)c1 1875297975 KDLOJBRKCLNVDX-HUUCEWRRSA-N 288.347 0.904 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CC2(CC(O)C2)C1 1875367466 FILFMBAJNGCRFP-UHFFFAOYSA-N 252.314 0.004 0 50 CCAA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](N)CO)CCO1 888095802 GWWSTPSMJRBBPW-STQMWFEESA-N 264.325 0.215 0 50 CCAA CC(C)(C)OC(=O)N1CCOC[C@@H]1C1=NCCN1 958720344 RWUHFYOCQJWCAO-SECBINFHSA-N 255.318 0.624 0 50 CCAA O=C(c1cnsn1)N1CCCC[C@@H]1Cc1nn[nH]n1 1775987668 PMLGTVZSYYMQTA-SSDOTTSWSA-N 279.329 0.289 0 50 CCAA COC[C@H]1CCN(c2nc(O)c3cnn(C)c3n2)C1 1318770323 CBWMTDBTSKGJTN-QMMMGPOBSA-N 263.301 0.542 0 50 CCAA NC(=O)N[C@]1(C(=O)O)CCOc2ccc(F)cc21 39477151 PLFOGGJHQOVQAF-LLVKDONJSA-N 254.217 0.556 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1COCCO1 252431560 LKQAKFJOUMNITL-USZNOCQGSA-N 283.324 0.646 0 50 CCAA O=C([C@@H]1CCCCN1)N1CCC[C@H](n2cncn2)C1 158812167 HVCPRUIUAFEKIZ-RYUDHWBXSA-N 263.345 0.584 0 50 CCAA Cc1ncc(S(=O)(=O)N[C@@H]2CNCC[C@H]2C)s1 262740045 BUBWPENVCVNITF-VXNVDRBHSA-N 275.399 0.728 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)c3ncccc3O)[C@H]2C1 285070791 RLXBLCHNFGPTCN-CMPLNLGQSA-N 277.324 0.332 0 50 CCAA NC(=O)[C@@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@H]1C(N)=O 639846738 QRNVXTJKEBNRKP-RKDXNWHRSA-N 299.733 0.498 0 50 CCAA COC[C@@]1(C(=O)O)CN(c2nc(C)cc(C)n2)CCO1 711557248 FJHMPJQQQPQGQQ-CYBMUJFWSA-N 281.312 0.400 0 50 CCAA Cn1ncc2ncc(C(=O)N[C@@H]3CCc4n[nH]cc4C3)cc21 2100539816 ZQIVWQVDOLUASL-LLVKDONJSA-N 296.334 0.979 0 50 CCAA CSCCN1CCN(c2cncc(N)n2)CC1 1857698226 YFRRHMXDANZKHF-UHFFFAOYSA-N 253.375 0.544 0 50 CCAA Cc1nonc1CC(=O)N[C@H]1CC[C@H](c2nc(=O)o[nH]2)C1 2325822014 WSSCCXKWPGPHCA-YUMQZZPRSA-N 293.283 0.049 0 50 CCAA CCOC(=O)[C@H](CC)Sc1nnc(O)[nH]c1=O 146374 OILCTGFEQACZJT-YFKPBYRVSA-N 259.287 0.304 0 50 CCAA Cc1ccccc1C(=O)NN1C[C@@H](C(=O)O)CC1=O 4555494 AVZWBGNPCHGQTI-VIFPVBQESA-N 262.265 0.573 0 50 CCAA O=C(NN1CCOCC1)c1ccc2c(c1)OCCO2 4804721 KVAYRHVXIVRPDV-UHFFFAOYSA-N 264.281 0.435 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N[C@H]1CCc2cn[nH]c2C1 170269026 ZAAWRVCYMFEZKT-JTQLQIEISA-N 296.352 0.850 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1OC 10008761 OCBCAAWFGPBLLJ-UHFFFAOYSA-N 272.326 0.305 0 50 CCAA Cc1cc(C[C@@H](C)NC(=O)c2c[nH]c(=O)cn2)[nH]n1 67955576 YESQPBUPSHTOFB-SSDOTTSWSA-N 261.285 0.162 0 50 CCAA CO[C@H]1C[C@@H](C(=O)Nc2cccnc2N(C)C)N(C)C1 346697974 IJWXJQKOMFKJIY-JQWIXIFHSA-N 278.356 0.805 0 50 CCAA Cc1cccc(NC(=O)CN(C)S(C)(=O)=O)c1 22606445 HOYUYZPAJNGFHL-UHFFFAOYSA-N 256.327 0.825 0 50 CCAA COC[C@@H](O)CN1CCOC[C@@H]1c1c(C)n[nH]c1C 330585530 WGYBHXOLKDVVQN-NWDGAFQWSA-N 269.345 0.407 0 50 CCAA O=C(NCCN1CCOCC1)c1cc(-c2ccco2)on1 20137604 VIABMSQECIIVIR-UHFFFAOYSA-N 291.307 0.997 0 50 CCAA COc1ccccc1CNC(=O)CN(C)S(C)(=O)=O 22606634 YGOAMOJLTTVCBV-UHFFFAOYSA-N 286.353 0.203 0 50 CCAA C[C@H](C(=O)N1CCCc2c(C(N)=O)cccc21)n1cncn1 171922365 WMWYDIZGHKLQMT-SNVBAGLBSA-N 299.334 0.917 0 50 CCAA O=C(NCCN1CCOCC1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 252673635 RGMFRPBHNMHHNZ-XDQVBPFNSA-N 279.384 0.759 0 50 CCAA CCOC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C)n1 35061823 DVRHLZHHZZWTOJ-ZDUSSCGKSA-N 291.351 0.644 0 50 CCAA O=C(CNC(=O)c1ccccc1)N[C@H]1C[C@@H]2OCC[C@H]12 219649016 GQWAAFAERPERRC-AGIUHOORSA-N 274.320 0.710 0 50 CCAA Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3CSCN3)C2)no1 158641163 SBSWZUMQHTWDPY-GHMZBOCLSA-N 296.396 0.822 0 50 CCAA Cc1nc[nH]c1-c1nccn1CCc1n[nH]c(=O)[nH]1 72131927 CLTOCFGQNCPEFB-UHFFFAOYSA-N 259.273 0.236 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(=O)cc(C)o1 219398815 HXLCUMLKGWNBSI-AAEUAGOBSA-N 280.324 0.397 0 50 CCAA C[C@@H](Oc1ccccn1)C(=O)N1CCN2C(=O)CC[C@H]2C1 333501531 CQGSXRZSGNQOCQ-NEPJUHHUSA-N 289.335 0.682 0 50 CCAA CN(C(=O)CCCN)[C@H]1CCCC[C@H]1S(C)(=O)=O 237288407 VQWWOPWSWAIGTQ-WDEREUQCSA-N 276.402 0.540 0 50 CCAA NCc1ccc(C(=O)N2CCC[C@H](CC(N)=O)C2)cc1 237903952 BHBOVOCTEZOGLW-GFCCVEGCSA-N 275.352 0.873 0 50 CCAA CNC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 72134630 SFACLSZUVOXYQO-CQSZACIVSA-N 289.379 0.556 0 50 CCAA CN(C[C@H]1COCCO1)C(=O)c1n[nH]c(N)c1Cl 217378888 RFOYKVFHSMZYRC-LURJTMIESA-N 274.708 0.133 0 50 CCAA COCc1cc(NC(=O)[C@@H]2COCCO2)cc(C(=O)O)c1 263068473 JCBIUQKWIIPMQL-LBPRGKRZSA-N 295.291 0.885 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 284660715 WRBBTAFCISEIKQ-STQMWFEESA-N 292.383 0.582 0 50 CCAA CNC(=O)N[C@H]1CCN(C(=O)NC[C@H](C)CC(F)F)C1 1365411606 GSJDEABQUNGBOY-BDAKNGLRSA-N 292.330 0.991 0 50 CCAA Cc1[nH]nc2ncc(C(=O)N3CC[C@H](C(=O)O)C3)cc12 178268414 ANQQVKGJKYTOSN-QMMMGPOBSA-N 274.280 0.813 0 50 CCAA Cc1nnc([C@H](C)NC(=O)C(=O)c2cccn2C)o1 223694518 GGEFLYRJDOWBBP-ZETCQYMHSA-N 262.269 0.777 0 50 CCAA Cc1ccc(C)c(CNC(=O)N2CCNC(=O)C2)c1 426716826 GKEUOZBFWKPONQ-UHFFFAOYSA-N 261.325 0.945 0 50 CCAA CSc1nc(N)c(I)c(N)n1 85999768 UGHMJPIINUNWIA-UHFFFAOYSA-N 282.110 0.968 0 50 CCAA CCN1CC[C@]2(CCC1=O)CN(CC(=O)O)CCN2C 95390785 CRPNKDFMVKROEB-CQSZACIVSA-N 283.372 0.090 0 50 CCAA CCCNC(=O)C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O 95117683 YUFNKAVMIWFHIX-DCAQKATOSA-N 253.346 0.302 0 50 CCAA CCc1nnc(CN(C)C(=O)[C@H]2CC(=O)N(C3CC3)C2)o1 92065958 KCFHYKBHYKMYER-VIFPVBQESA-N 292.339 0.601 0 50 CCAA C[C@H]1CN(C(=O)CN(C)Cc2cc[nH]n2)C[C@@H](C)O1 330766702 KVPZWPARVQRGOL-PHIMTYICSA-N 266.345 0.477 0 50 CCAA O=C(C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O)NC1CC1 242574927 NJUAPHDAYSTOMW-MXWKQRLJSA-N 251.330 0.054 0 50 CCAA CC(C)c1nnc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)o1 240228056 KFIAZLLEUIPWEL-RYUDHWBXSA-N 296.371 0.070 0 50 CCAA CC(C)[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nccn1C 534674619 IWXVNGJMPQFHDV-LLVKDONJSA-N 297.384 0.829 0 50 CCAA CN1CCN(C(=O)C2(Cn3ccnc3)CC2)C[C@H]1CCO 584890280 UZRAKKATQLKWQK-CYBMUJFWSA-N 292.383 0.188 0 50 CCAA CCS(=O)(=O)[C@H](C)C(=O)N(C)CC1(CO)CCCC1 584899776 SAKPBHLQEZSAIW-LLVKDONJSA-N 291.413 0.821 0 50 CCAA COCCN1CC[C@@H](C(=O)NCCN2CCCCC2=O)C1 584893429 XRBYCZAUCIPREJ-CYBMUJFWSA-N 297.399 0.083 0 50 CCAA C[C@H](O)CN1CCN(CC(=O)NCC(F)(F)F)C[C@H]1C 240540902 GQDBNXNPKKRQBF-ZJUUUORDSA-N 297.321 0.052 0 50 CCAA Cc1nccn1CC(=O)NC1(C(N)=O)CCCCCC1 670460071 ZUDNUYSCPZBTBO-UHFFFAOYSA-N 278.356 0.886 0 50 CCAA O=C(NCc1ncccn1)c1c[nH]nc1[C@@H]1CCCCN1 685941187 ADBKCZQTWWAKDK-NSHDSACASA-N 286.339 0.944 0 50 CCAA CC(C)(C)OC(=O)N1CS(=O)(=O)CC[C@H]1C(=O)O 1535640706 TWKGPTYNFFKJPT-ZETCQYMHSA-N 279.314 0.453 0 50 CCAA CCn1ncnc1CNC(=O)N1CC[C@@H](C)[C@H](O)C1 408309312 LULGMKRHBGSSMS-NXEZZACHSA-N 267.333 0.210 0 50 CCAA Cn1cc(OS(=O)(=O)c2cn(C)c(Cl)n2)cn1 170685542 SUZOFAGUHISCJM-UHFFFAOYSA-N 276.705 0.575 0 50 CCAA Cc1noc(COC2CN(C(=O)[C@H](C)n3cccn3)C2)n1 644208574 CUMWYHXKQFGIDU-VIFPVBQESA-N 291.311 0.563 0 50 CCAA COCCN(C)S(=O)(=O)N1CCCC[C@H]1CC(=O)O 646035378 IWTQBRKMFOTXAU-JTQLQIEISA-N 294.373 0.139 0 50 CCAA CNC(=O)C1(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)CC1 659204623 STFZWZLYUGDDDH-UHFFFAOYSA-N 294.311 0.168 0 50 CCAA O=C(c1ccc2c(c1)COB2O)N1CCC[C@@H]1c1cn[nH]c1 584997166 WTJCYRJBHIKZPN-CQSZACIVSA-N 297.123 0.605 0 50 CCAA N=c1ncn(CC(=O)N[C@H]2CCCOc3ccccc32)[nH]1 585089438 MZWKLOMYWGHZAM-NSHDSACASA-N 287.323 0.721 0 50 CCAA O=C(N[C@H]1Cc2ccncc2C1)c1ccc2c(c1)COB2O 585002297 SNNOZLXTADKZPH-AWEZNQCLSA-N 294.119 0.197 0 50 CCAA CCOC(=O)c1cnc(NCCNC(N)=O)nc1C 134311909 HHIXUEUDOJETRF-UHFFFAOYSA-N 267.289 0.042 0 50 CCAA N[C@H]1CN(C(=O)NC2CCOCC2)CC12CCC2 1553430301 BIEFZMNEQCHOFK-NSHDSACASA-N 253.346 0.688 0 50 CCAA CNC(=O)Cn1cc(NC(=O)[C@@H](C)n2cc(C)cn2)cn1 1506404225 YRKUERLGUXMGAE-SNVBAGLBSA-N 290.327 0.334 0 50 CCAA C[C@@H](CN1CCCC1)CN(C)C(=O)c1cnn[nH]1 1529113607 GPMRMSOHPFZGSA-SNVBAGLBSA-N 251.334 0.609 0 50 CCAA O=C(c1ccc(OCC(F)(F)F)nc1)N1CC(O)C1 305067052 RUBNYEBMLGMUBG-UHFFFAOYSA-N 276.214 0.839 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(CCOC)C1 408473366 YWLPPWBGWVUKEO-NWDGAFQWSA-N 284.356 0.466 0 50 CCAA COc1cnc(N2C[C@@H](O)[C@H](Cc3ccccn3)C2)nc1 1704300181 POKZDJDURAWZIG-BXUZGUMPSA-N 286.335 0.920 0 50 CCAA Cc1cc(CC(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)on1 1772819801 UCZSDODPHKGFEP-PWSUYJOCSA-N 277.324 0.462 0 50 CCAA O=C(C[C@@H]1CC1(F)F)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772703974 JHVPVSWYGXZLMT-IWSPIJDZSA-N 261.268 0.091 0 50 CCAA O=C(O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O 12649145 IIRYNZYKXMSCSC-WDEREUQCSA-N 265.265 0.701 0 50 CCAA CCc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 16602814 DHWOYBHVJSWLOZ-UHFFFAOYSA-N 296.392 0.966 0 50 CCAA CS(=O)(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)O 202886931 HQSNCMKQIGWSSC-NEPJUHHUSA-N 299.348 0.690 0 50 CCAA CN(C)C(=O)[C@@H]1CN(C(=O)CC2=CCCC2)CCO1 1857688652 VADVUGRRJJSYHH-LBPRGKRZSA-N 266.341 0.802 0 50 CCAA O=C1C[C@H]2CN(C(=O)c3cc(=O)c4ccccc4o3)C[C@H]2N1 1857689471 QLCBHICXTYTWLA-GXSJLCMTSA-N 298.298 0.754 0 50 CCAA O=C(c1c[nH]c(=O)cn1)N1CCc2[nH]nc(C3CC3)c2CC1 1857695262 BKXYVXTURJYTBS-UHFFFAOYSA-N 299.334 0.611 0 50 CCAA O[C@@H]1CN(CCSc2ccc(F)cc2)C[C@H]1O 225450037 WEJZRFPZXOJKJJ-VXGBXAGGSA-N 257.330 0.955 0 50 CCAA CCCCn1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4250982 UHGQKDWEWIQXHI-UHFFFAOYSA-N 289.339 0.795 0 50 CCAA O=C1CCC[C@H](C(=O)NC2CCN(CC(F)F)CC2)N1 669599147 RPOQAHSBBYJFMI-SNVBAGLBSA-N 289.326 0.501 0 50 CCAA CC(=O)N1CCCN([C@@H]2COC3(CCNCC3)C2)CC1 10231858 BMPYUBQYQNNFKY-AWEZNQCLSA-N 281.400 0.452 0 50 CCAA O=C(CSc1n[nH]c(O)n1)N[C@H]1CCCc2nc[nH]c21 1875268443 RRUHWZLHNSCDFA-ZETCQYMHSA-N 294.340 0.519 0 50 CCAA CC(C)(C)OC(=O)N1CC([C@H]2CC(=O)NC2=O)C1 1772800742 NUGHSRMRTWIMMN-MRVPVSSYSA-N 254.286 0.516 0 50 CCAA C[C@@H]1CN(C(=O)Cn2nnc3ccccc32)CC[C@@H]1O 1412060747 SLCHPOPICSCQCA-MFKMUULPSA-N 274.324 0.661 0 50 CCAA CCc1nnc(NC(=O)CSc2nncn2C)s1 418128 KPEPGUXDNBCLRN-UHFFFAOYSA-N 284.370 0.960 0 50 CCAA O=C(NC[C@H](O)c1cccc(O)n1)c1cccc2nn[nH]c12 2356146545 KOZCBKHUEFGUFE-NSHDSACASA-N 299.290 0.522 0 50 CCAA CN1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1 9196351 YKLAYPRETVJYSQ-UHFFFAOYSA-N 262.235 0.541 0 50 CCAA O=c1cc(CSc2ncccn2)[nH]c2ncnn12 100069632 INCXQANNLLHYRA-UHFFFAOYSA-N 260.282 0.500 0 50 CCAA CNC(=O)c1cccnc1N1CCNC[C@@](C)(F)C1 420268569 SHLUQQASZXJDIG-CYBMUJFWSA-N 266.320 0.579 0 50 CCAA CCc1cc(NCC(N)=O)nc(N2CCCCC2)n1 65422982 IVSWTPAWKOSECO-UHFFFAOYSA-N 263.345 0.927 0 50 CCAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1 66115158 OPMAEQDSWAYZPX-GFCCVEGCSA-N 278.308 0.470 0 50 CCAA O=S(=O)(NC[C@H]1CCC2(CCOCC2)[C@H]1O)C1CC1 252480927 CGJNZANXNGVAJY-PWSUYJOCSA-N 289.397 0.636 0 50 CCAA C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(Cl)cn1C 172054092 CZUZALCMRZCBBR-ZETCQYMHSA-N 278.761 0.841 0 50 CCAA Cc1nccn1CCCC(=O)N1CCOC[C@H](CO)C1 77436938 WVOUTOOJEMDTFO-ZDUSSCGKSA-N 281.356 0.439 0 50 CCAA Cc1c[nH]ccc1=NC(=O)N1CCOC[C@@H]1c1nc[nH]n1 329005433 YRABMSRNNUNPDE-LLVKDONJSA-N 288.311 0.535 0 50 CCAA CN1CCO[C@@H]2CN(c3nnc(C4CC4)o3)C[C@@H]21 329385654 PJDNMKQPGZOYDA-VHSXEESVSA-N 250.302 0.466 0 50 CCAA Cc1ncc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)c(=O)[nH]1 71746594 YCALBTLZKZJWFR-MRVPVSSYSA-N 291.229 0.482 0 50 CCAA C[C@@H](CCN1CCN(C)CC1)NS(=O)(=O)CC1CC1 329987118 SJJHUWPKAJJWIK-LBPRGKRZSA-N 289.445 0.342 0 50 CCAA NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 33359573 UWHOBQCVFDYLHE-UHFFFAOYSA-N 268.338 0.711 0 50 CCAA CCN1C[C@H](NC(=O)NCC2=CCCOC2)CC1=O 333468862 FQNLXZKDNBXXIR-LLVKDONJSA-N 267.329 0.253 0 50 CCAA CCNC(=O)CNc1ncccc1-c1nc(C)no1 130866135 BNUHIABFQYEXBS-UHFFFAOYSA-N 261.285 0.988 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1C(=O)Cc1ccnn1C 284645313 RPWPTXYFSSBBNT-RYUDHWBXSA-N 267.329 0.225 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 285380504 WMCRMYMOJDBMJM-OLZOCXBDSA-N 292.383 0.582 0 50 CCAA CCOc1ccc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1 285482653 LFQZGIVRKIVBTH-HNNXBMFYSA-N 292.335 0.538 0 50 CCAA C[C@H](C(=O)N1CCO[C@H](C(=O)O)C1)C1CCOCC1 263301277 UOQMXICOJOWONW-ONGXEEELSA-N 271.313 0.361 0 50 CCAA Cc1nonc1CC(=O)NCCc1nccs1 221418248 DOZHCPRMXVKYQS-UHFFFAOYSA-N 252.299 0.736 0 50 CCAA C[C@@H](C(=O)NCCN1CCCOC1=O)n1ccnc1 426737521 OKIVAJDWSAYLDW-JTQLQIEISA-N 266.301 0.403 0 50 CCAA O=C1CN([C@@H]2CCCN(c3ccccc3F)C2=O)CCN1 179180823 WYSKFPWCTCBEQU-CYBMUJFWSA-N 291.326 0.753 0 50 CCAA CC[C@@H](NC(=O)CN1CCN(C)C1=O)c1nc(C)no1 426358203 GABGIIYQDFRQDA-SECBINFHSA-N 281.316 0.313 0 50 CCAA CNC(=O)CCN(C)C(=O)N[C@@H](C)Cc1cccnc1 426590033 SVYQSWMGMVKGBN-NSHDSACASA-N 278.356 0.790 0 50 CCAA Cc1cc(C)n(CCNC(=O)C[C@@H]2CCCOC2)c(=O)n1 426697570 QXKHDVKNFOIJEM-ZDUSSCGKSA-N 293.367 0.793 0 50 CCAA NC(=O)c1ccnc(N2CCC3(CC2)OCCC[C@H]3O)c1 91617061 UVAUEKDOKFAXDH-GFCCVEGCSA-N 291.351 0.691 0 50 CCAA O=C(COCC(F)(F)F)N1CCC[C@H]1Cn1ccnn1 299742128 HBKCVCWWQPNKTN-VIFPVBQESA-N 292.261 0.848 0 50 CCAA O=C(NCc1cc(F)cc(F)c1)[C@@H]1C[C@@H](O)CN1 299748724 HYUUEBYIACHXGO-MNOVXSKESA-N 256.252 0.304 0 50 CCAA O=C(CN1C[C@H]2CC[C@@H](C1)NC2)N1CCCCC1 534639466 OFSVVLDTOVVITR-STQMWFEESA-N 251.374 0.683 0 50 CCAA O=C(CCN1CCCCCC1=O)NCCc1ncc[nH]1 534637793 DIIIRYGXRKMIFR-UHFFFAOYSA-N 278.356 0.861 0 50 CCAA Cn1cc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)cn1 263823616 YVJKMIQBVQYNBD-CQSZACIVSA-N 292.383 0.633 0 50 CCAA CCN1C[C@H](NC(=O)Cn2nc(C)c(C)c2C)[C@@H](OC)C1 534592684 IQIMPDBIEAPTMO-KBPBESRZSA-N 294.399 0.644 0 50 CCAA Cc1nnc(SCCNC(=O)[C@H](C)n2cncn2)s1 827654772 JPRWHMBABFBXHO-ZETCQYMHSA-N 298.397 0.908 0 50 CCAA Cc1[nH]ccc1C(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 584892409 ARXBEEHGWTWMFQ-KBPBESRZSA-N 277.368 0.994 0 50 CCAA NC(=O)C1(NC(=O)c2cncc(=O)[nH]2)CCCCCC1 584902860 YBGZPSYHISZZHK-UHFFFAOYSA-N 278.312 0.078 0 50 CCAA Cc1ncn(CCN[C@H](C)CN2CCN(C)CC2)c1C 670444651 ZHPXSPKSCASJSA-CYBMUJFWSA-N 279.432 0.725 0 50 CCAA CC(C)(C)OC(=O)N1CC(N2C[C@H](N)CC2=O)C1 685944051 BJKBPCPSSNEWFW-MRVPVSSYSA-N 255.318 0.165 0 50 CCAA CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H](C(=O)O)C1 1535054643 HPTDFNPGWXZMAA-MRVPVSSYSA-N 293.341 0.353 0 50 CCAA C[C@H](C(N)=O)N1CCC(CNC(=O)C2CCOCC2)CC1 952979503 HDVJZXWMYOQZCQ-LLVKDONJSA-N 297.399 0.115 0 50 CCAA CN1C(=O)C[C@H](Nc2ccc(C(F)(F)F)nn2)C1=O 167097779 ACFMNEKIXCPEPN-YFKPBYRVSA-N 274.202 0.665 0 50 CCAA O=C(O)[C@H]1[C@@H]2C(=O)N(Cc3ccccn3)C[C@@]23C=C[C@H]1O3 169303402 XSEHIJHACSPQOL-BLTAXRJOSA-N 286.287 0.448 0 50 CCAA in-vitro C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](S(C)(=O)=O)C2)O1 407962604 DMCCBLCBXXCIIS-OPRDCNLKSA-N 261.343 0.199 0 50 CCAA NC(=O)c1cccc(NC(=O)N2CC(O)(C3CC3)C2)c1 170609674 SRRSIDZFVYCFAD-UHFFFAOYSA-N 275.308 0.774 0 50 CCAA C/C=C/c1cn(CC(=O)NC2CCOCC2)nn1 641027998 WHXUMOWYWGQTJW-NSCUHMNNSA-N 250.302 0.606 0 50 CCAA C[C@H]1CCNC(=O)[C@H]1NC(=O)COc1ccccc1 194191480 UHMKPMCEGKRXOU-GWCFXTLKSA-N 262.309 0.706 0 50 CCAA CCOc1cc(NCc2nc(C(N)=O)co2)ncn1 585098892 ODWYITXDTPHYLY-UHFFFAOYSA-N 263.257 0.574 0 50 CCAA COC(=O)C[C@H](NC(C)=O)C(=O)NC(C)(C)C(C)(F)F 585126886 KQCZSRWJDXDPNV-QMMMGPOBSA-N 294.298 0.604 0 50 CCAA Cn1nc(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1C(F)(F)F 1646997173 CYQMGHMEHYOXJF-NTSWFWBYSA-N 290.245 0.889 0 50 CCAA COc1ccc(C(=O)N2C[C@@H](O)[C@H](F)C2)c(OC)c1 952969675 FWNJEHPLSUXUCH-GHMZBOCLSA-N 269.272 0.859 0 50 CCAA Cn1cc(C(=O)N[C@H]2COC[C@@H]2O)c2ccccc21 220622872 ZWSWSBIBFIJAAC-AAEUAGOBSA-N 260.293 0.668 0 50 CCAA CN1CC[C@H]2CC[C@@H](C1)N2c1nc(C(=O)O)nn1C 1857672902 JITKKPCKGKSROW-BDAKNGLRSA-N 265.317 0.186 0 50 CCAA Cc1nnc(N2C[C@H](C(=O)NCC(C)C)CC2=O)s1 1857712364 WKTFORPBIWVIDD-SECBINFHSA-N 282.369 0.972 0 50 CCAA O=C(c1ccnc(NC[C@]2(O)CCNC2)c1)N1CCCC1 1704330329 BILIMGSAPQABBX-HNNXBMFYSA-N 290.367 0.454 0 50 CCAA NC(=O)C1(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CC1 119571482 QEPDTFVOMKKTTF-MRVPVSSYSA-N 293.289 0.395 0 50 CCAA CCOC[C@H]1CN(c2cc(CO)c(F)cn2)CCO1 528188934 HGJFZRYOFMYRGS-LLVKDONJSA-N 270.304 0.955 0 50 CCAA C[C@H](C1CCN(c2cncc(N)n2)CC1)N1CCOCC1 1857666305 KNAPKYKZVJMKJN-GFCCVEGCSA-N 291.399 0.996 0 50 CCAA CO[C@@H]1CN(CCn2nc(C)cc2C)C[C@H]1c1cnn[nH]1 621316408 VBNAEEZVQWSDGT-GXTWGEPZSA-N 290.371 0.732 0 50 CCAA COc1cc(C)ccc1C(=O)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875243502 JJOMFBBDJMKOPX-OIMNJJJWSA-N 293.319 0.261 0 50 CCAA O=C(O)C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1 57088 XGNNOKSIFRVHHA-JTQLQIEISA-N 279.248 0.983 0 50 CCAA in-vitro Cc1c(C(=O)N(CCC(=O)O)C2CCOCC2)cnn1C 572576440 PDZXOXBVBCFCSI-UHFFFAOYSA-N 295.339 0.824 0 50 CCAA COCCS(=O)(=O)N1CCC[C@@H]1c1ncccn1 907331294 GETHVWLEOWPHOF-SNVBAGLBSA-N 271.342 0.590 0 50 CCAA COc1nn(C)cc1C(=O)Nc1ccc(-n2cncn2)nc1 1264353767 UEMFPUHTICMAMJ-UHFFFAOYSA-N 299.294 0.657 0 50 CCAA Cc1cc(NC(=O)Cn2c(C(C)(C)C)noc2=O)n(C)n1 1875259088 KDQBSTMGGVLMMS-UHFFFAOYSA-N 293.327 0.814 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)c1ccn2cncc2c1 1875254701 OSAUXXWWORZCIS-UHFFFAOYSA-N 272.268 0.131 0 50 CCAA O=C(NCC[C@@H]1CCSC1)N1CCOCCN1 896077195 YECTYCXCJMRSDN-SNVBAGLBSA-N 259.375 0.676 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 252682471 CCEOHBAZAYVOCH-UTUOFQBUSA-N 291.417 0.024 0 50 CCAA C[C@@]1(C(=O)O)CN(c2ccc3nccnc3n2)CCO1 711505013 FCLPFWCFYJTTNI-ZDUSSCGKSA-N 274.280 0.705 0 50 CCAA Cc1cc(C)c2c3c(cn2n1)c(=O)n(C)c(=O)n3C 33669 RCODYDCHXQTRNM-UHFFFAOYSA-N 258.281 0.502 0 50 CCAA CNC(=O)c1ccc(=Nc2c(C)nn3c2NCCC3)[nH]n1 2325809835 RRNQRFUOSATGKB-UHFFFAOYSA-N 287.327 0.322 0 50 CCAA Cc1nc2c(cc1C(=O)N[C@@H]1CCC(=O)NC1=O)CCC2 1857797748 KQSYSZGMRLULTJ-GFCCVEGCSA-N 287.319 0.414 0 50 CCAA C[C@H](CNC(=O)CN1C(=O)CC[C@H]1C)N1CCCCC1 27734444 QAZLCMKWZYNMJX-CHWSQXEVSA-N 281.400 0.988 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H](C)O1 20427593 FEMCBTWGBDGCAL-QWRGUYRKSA-N 287.323 0.912 0 50 CCAA COC(=O)[C@@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1 22014206 NFLXTMHXWFFYGU-IUCAKERBSA-N 258.318 0.662 0 50 CCAA C[C@@H]1NCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)[C@H]1C 423591720 CNCYOIWSYGDGFB-UWVGGRQHSA-N 297.380 0.156 0 50 CCAA Cc1nc(C)n(CCCN2C[C@H](C(=O)O)CC2=O)n1 65381659 QGIMCACTSMDAFI-SNVBAGLBSA-N 266.301 0.218 0 50 CCAA Cn1cnc(C(=O)N2CCC[C@](C)(C(=O)O)C2)c1 236094491 PAPZUALNHVNEQJ-LBPRGKRZSA-N 251.286 0.747 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccon1 125350827 DOWXGYHIBZTAJH-HLFFCZDVSA-N 262.265 0.814 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@H]2C3C=CC(C=C3)[C@H]21 216555976 HWOQDVZSTNSDCO-XWWYXVDQSA-N 269.304 0.619 0 50 CCAA O=c1c2cnc3ncnn3c2ccn1-c1ccccn1 36365439 MBWIDXKXOGEGMP-UHFFFAOYSA-N 264.248 0.823 0 50 CCAA C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)NC3CCNCC3)C2)C1 335296536 BNCQFYIBRBZHHR-BLLLJJGKSA-N 293.411 0.893 0 50 CCAA CNC(=O)C[C@@H](C)N(C)Cc1nccn1CCOC 215506484 LACOBYPTAKORRV-LLVKDONJSA-N 268.361 0.486 0 50 CCAA CN1CC[C@H]2OCCN(c3nccn4cnnc34)[C@H]2C1 284452275 CVFBSWXWMLYFSE-WDEREUQCSA-N 274.328 0.034 0 50 CCAA CN(Cc1noc(C2CCC2)n1)C(=O)CN1CCCC1=O 220427641 GTOPZAQDWSYGCJ-UHFFFAOYSA-N 292.339 0.918 0 50 CCAA CCCN1C[C@@H](C(=O)NCc2cccnc2)CC1=O 40455959 QDRACLAKIZITPM-LBPRGKRZSA-N 261.325 0.956 0 50 CCAA Cc1ccc(C(=O)NCc2nc[nH]n2)c(OCCCN)c1 426582779 HSDMNUPGUYXFCS-UHFFFAOYSA-N 289.339 0.771 0 50 CCAA COc1csc(C(=O)N2CCOC[C@@H]2C(=O)O)c1 161406594 HYEPKJHJETWOOM-MRVPVSSYSA-N 271.294 0.682 0 50 CCAA O=C(CN1CCO[C@@H]2CCC[C@H]21)NCc1ccccn1 230079875 TZDVLDZWNZCJCI-ZIAGYGMSSA-N 275.352 0.951 0 50 CCAA Cc1nnc(CN(C)C(=O)[C@H]2CC(=O)N(C3CC3)C2)o1 92021030 DEDSRIDXOJCNOQ-VIFPVBQESA-N 278.312 0.347 0 50 CCAA CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCNC1 142972681 AUDBMFULIIGUKI-GFCCVEGCSA-N 258.318 0.806 0 50 CCAA Cc1ccc2nc(CN3C(=O)CCNC3=O)cc(=O)n2c1 95526447 ICXBQXNZMWJZIW-UHFFFAOYSA-N 286.291 0.445 0 50 CCAA COC[C@@H](NS(=O)(=O)N1CCCC1)c1ccccn1 534652316 ZITSMVJVZXGYHN-GFCCVEGCSA-N 285.369 0.699 0 50 CCAA Cc1nccn1CC(=O)N[C@H](c1ncnn1C)C(C)C 534656055 ITRAYGGWHPWGTE-LBPRGKRZSA-N 276.344 0.834 0 50 CCAA CN(C)C(=O)NCC(=O)NCc1cccc(CO)c1 534653594 GEQHACATYKTPAJ-UHFFFAOYSA-N 265.313 0.066 0 50 CCAA O=C(c1ccc2nn[nH]c2c1)N1CCN2C(=O)OC[C@@H]2C1 378155171 YCEBEYFADMQJOO-VIFPVBQESA-N 287.279 0.235 0 50 CCAA CCc1c(C)nn(CCNC(=O)C2(C(N)=O)CC2)c1C 299796516 QSGUZMZDAHHITQ-UHFFFAOYSA-N 278.356 0.444 0 50 CCAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Cn2[nH]nnc2=N)C1 827978086 PYZRJRNMBADJME-NOZJJQNGSA-N 278.360 0.513 0 50 CCAA O=C(NCCCN1CCCC[C@H]1CO)c1ccc(O)nc1 584891147 CSSFQWDJCWCEBK-ZDUSSCGKSA-N 293.367 0.754 0 50 CCAA CN1CCC2(CC1)CCN(c1cncc(C(N)=O)n1)C2 670451408 KSFMLZZJPCUVCV-UHFFFAOYSA-N 275.356 0.498 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)Cc1nc2ccccc2o1 670457615 JXPVNVKKSDLPFG-JQWIXIFHSA-N 276.292 0.900 0 50 CCAA COc1cccc(CCCN2CCNC[C@H]2CO)c1 685943430 ONSUFYILCHFVDZ-AWEZNQCLSA-N 264.369 0.894 0 50 CCAA O=C1NCCC[C@@H]1C(=O)N[C@H](CO)c1cc(F)ccc1F 1351093394 AAEBTUVEGWKIKN-JOYOIKCWSA-N 298.289 0.641 0 50 CCAA Cn1cnnc1SCC(=O)NCC(C)(C)N1CCCC1 952970879 BIRSYSHAMYRGBB-UHFFFAOYSA-N 297.428 0.898 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cn2cccnc2n1 1565515967 ATVLHUANBHHVAL-QWRGUYRKSA-N 276.296 0.263 0 50 CCAA Cc1nc2ccc(C(=O)N[C@@H]3[C@H]4OCC[C@H]4[C@H]3N)cc2[nH]1 1565530491 NENHQMIUMRQMPQ-VZLIPTOUSA-N 286.335 0.716 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2cnn(C)c2)C1 643756104 LMQWLIMRUOZUFC-CQSZACIVSA-N 280.372 0.225 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)C2CN(C(C)=O)C2)C1 644120859 QFRTUEAVTHIDNN-NEPJUHHUSA-N 292.339 0.176 0 50 CCAA O=C(N=c1[nH][nH]cc1C1CC1)c1ccc2c(c1)COB2O 585004072 XBRBTMSLCUJPAX-UHFFFAOYSA-N 283.096 0.179 0 50 CCAA Cc1noc(-c2ccnc(N3C[C@H](O)[C@@H](N(C)C)C3)c2)n1 1506419011 LXVYWVGRTRENGF-RYUDHWBXSA-N 289.339 0.551 0 50 CCAA Cn1c(O)nc(N2CC(CC(F)(F)F)C2)cc1=O 1262686679 QXDSPCHZXWMTDU-UHFFFAOYSA-N 263.219 0.875 0 50 CCAA COc1nc(N[C@H]2CCCCNC2=O)ncc1F 1704315656 ANDMKHOIKDCYBA-QMMMGPOBSA-N 254.265 0.705 0 50 CCAA CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN2)s1 515298976 CHYPYMDSRWISEG-VIFPVBQESA-N 288.394 0.520 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2cccn2C)C1 643756541 XBSCQPSIXVJDSD-AWEZNQCLSA-N 265.357 0.488 0 50 CCAA C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)C 337811668 OIKLCPKIHHMGSA-JTQLQIEISA-N 250.346 0.899 0 50 CCAA CN1C[C@H](C(=O)NCc2ccc(O)c(F)c2)CC1=O 133060363 JXUIMEPIGNPZTK-SECBINFHSA-N 266.272 0.626 0 50 CCAA Cn1ccnc1[C@H](O)C1CCN(c2cncc(N)n2)CC1 1857668155 QLJKSXMAKUJQAV-CYBMUJFWSA-N 288.355 0.742 0 50 CCAA O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 1236587 SCEUAHLNMWSZJE-NSHDSACASA-N 266.272 0.601 0 50 CCAA in-vitro CN1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CCCOC2)C1 328642521 RCBQLUJRSGJGNF-HUUCEWRRSA-N 296.411 0.982 0 50 CCAA CO[C@@H]1CN(Cc2nnnn2C(C)(C)C)CCO1 585116240 NCPWHFRWROBMAD-JTQLQIEISA-N 255.322 0.233 0 50 CCAA O=C1NCC2(CCN(C(=O)c3ccns3)CC2)O1 1120678354 CVNCZGIGXNRJGH-UHFFFAOYSA-N 267.310 0.858 0 50 CCAA COc1ccc2c(c1)[C@H](C(=O)N[C@@H](CCO)C(=O)O)CC2 1875312821 BQGVKXVBKNNIJA-YPMHNXCESA-N 293.319 0.677 0 50 CCAA O=C(NCC[C@H]1CCCCO1)C1=NOC2(CCNCC2)C1 888096616 MRJYLTGAXRVPLV-GFCCVEGCSA-N 295.383 0.960 0 50 CCAA COCc1nc(OC)cc(N2C[C@H](O)C3(CC3)C2)n1 1325859366 RMDSFPOONIIVIO-VIFPVBQESA-N 265.313 0.593 0 50 CCAA CCS(=O)(=O)NCCN1CC(C)(C)OC(C)(C)C1 189655206 IYBKXMIOJMSHAX-UHFFFAOYSA-N 278.418 0.815 0 50 CCAA C[C@H](C(=O)N(C)C)N1CCN(c2cccnn2)CC1 171351318 YNTYDYKNRMDDNB-LLVKDONJSA-N 263.345 0.075 0 50 CCAA CO[C@@H]1CC[C@@H](C(=O)N[C@@H](C(=O)O)c2ccnn2C)C1 663060862 PRYNVXJHGPJPHL-FXPVBKGRSA-N 281.312 0.477 0 50 CCAA OC[C@@H](O)CNC1CCN(C2CCCCC2)CC1 408409099 SZEVUBPTGZLERW-AWEZNQCLSA-N 256.390 0.726 0 50 CCAA CN(C)C[C@@H](O)CNC(=O)c1cncc(Cl)c1 534586831 LASXPVSGWCRAPO-JTQLQIEISA-N 257.721 0.387 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc2c[nH]nc12 334594635 DNDIHNVBVWXELT-KWQFWETISA-N 272.308 0.960 0 50 CCAA O=S1(=O)C[C@H](O)[C@@H](Nc2nc3ccccc3s2)C1 1616094107 PZVFZSAFYAZSAZ-IUCAKERBSA-N 284.362 0.866 0 50 CCAA COc1cc(C(=O)N[C@H]2CCOC2=O)cc(OC)c1OC 15108417 DXSFRCRLBQTXTG-VIFPVBQESA-N 295.291 0.758 0 50 CCAA Cc1cc(-c2noc([C@]34CNC[C@H]3COC4)n2)ccn1 1247849321 JOTXLKPEVBPPMM-FZMZJTMJSA-N 272.308 0.927 0 50 CCAA COCc1nn[nH]c1C(=O)N1C[C@H](CN(C)C)CC1(C)C 2325810836 IDYPIOXKWJOUFQ-JTQLQIEISA-N 295.387 0.753 0 50 CCAA C[C@H](C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O 535523 SYABYJUMIQCIRA-SNVBAGLBSA-N 288.303 0.530 0 50 CCAA Cc1cc(C)cc(NC(=O)C[C@@H]2NCCNC2=O)c1 4702804 AHRNUTIYXJYOHQ-LBPRGKRZSA-N 261.325 0.720 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O 6882745 JABSORAZQPYNMZ-SECBINFHSA-N 286.328 0.977 0 50 CCAA Cc1nc(C)c(C)c(N2CCC[C@](O)(C(N)=O)C2)n1 344289829 PRFLVPNGSUHLIB-CYBMUJFWSA-N 264.329 0.218 0 50 CCAA Cc1ccc(S(=O)(=O)N2CC(C(=O)O)C2)cc1 65337445 IFGBBXJGLBGHJN-UHFFFAOYSA-N 255.295 0.700 0 50 CCAA CNC(=O)c1cccnc1N1CCC(F)(F)[C@H](CO)C1 359954198 KTMRIYBOFVWYHY-VIFPVBQESA-N 285.294 0.895 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@]1(C)CCCO1 151304787 SXRFKTPEXZDGGF-KOLCDFICSA-N 263.359 0.447 0 50 CCAA CC(C)c1ncc(C(=O)N[C@@H]2CCC(=O)NC2=O)s1 121851119 IICKQYRTCWGTEK-SSDOTTSWSA-N 281.337 0.802 0 50 CCAA CN(C)CC(=O)N(C)C[C@@H]1CCn2ccnc2C1 328622367 BFPFPRYCXJJOEX-LLVKDONJSA-N 250.346 0.466 0 50 CCAA CC(C)[C@H](CNC(=O)c1cccc(=O)[nH]1)N(C)C 232733247 NSNYEROGOZDQAK-NSHDSACASA-N 251.330 0.691 0 50 CCAA CC[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H](C)[S@]1=O 329209032 YWEFPHVJEOQVHK-GMJGCRJXSA-N 258.347 0.242 0 50 CCAA Cn1[nH]c(=NC(=O)C2(S(C)(=O)=O)CCC2)cc1C1CC1 329774460 MFSSQWDYFQRFCT-UHFFFAOYSA-N 297.380 0.625 0 50 CCAA CN(C)[C@@H]1[C@@H](NC(=O)c2ccncc2F)[C@H]2CCO[C@H]21 218964381 XRDVKTSVVFUTQC-GWNIPJSYSA-N 279.315 0.668 0 50 CCAA O=C(Cc1cccnc1)N1CCN(c2cnccn2)CC1 216243926 QWZVMEWKJMAIKM-UHFFFAOYSA-N 283.335 0.763 0 50 CCAA CN1CC[C@H](NC(=O)c2ccncc2Cl)C1=O 73113055 VBEIGTDALWOLTF-VIFPVBQESA-N 253.689 0.696 0 50 CCAA C[C@H]1CN(c2ncnc3c2NC(=O)CS3)CC(=O)N1C 374542232 DTHHXCPVHZFFAD-ZETCQYMHSA-N 293.352 0.188 0 50 CCAA COCc1cc(NC(=O)[C@H]2COCCO2)cc(C(=O)O)c1 263068472 JCBIUQKWIIPMQL-GFCCVEGCSA-N 295.291 0.885 0 50 CCAA CC(C)(C(=O)N1CCOC[C@@H]1CC(=O)O)n1cccc1 72468973 ORLAANGTADJYKC-NSHDSACASA-N 280.324 0.925 0 50 CCAA C[C@@H]1CN(C)C[C@H](c2nc(-c3ccc(=O)n(C)c3)no2)O1 527545090 ORNZVSZILPZKLK-MWLCHTKSSA-N 290.323 0.827 0 50 CCAA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)c2ccc(C(N)=O)o2)[C@H]31 288383519 KKAJABQLDRWGIP-CDJGPZEFSA-N 290.319 0.874 0 50 CCAA O=C1CC[C@]2(CCCN(c3cnccn3)C2)CN1CCO 82139155 OFHRFPPEPCMAPZ-HNNXBMFYSA-N 290.367 0.678 0 50 CCAA Cn1cnc(C(=O)NCc2cccc(C(N)=O)c2)c1 178191983 LSUBKSBFNYUOJH-UHFFFAOYSA-N 258.281 0.449 0 50 CCAA CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)O)NC1 381791729 LTAROFVUFUFTCC-IUCAKERBSA-N 258.318 0.964 0 50 CCAA O=C(O)CCN1CCN(C(=O)C2CC=CC2)CC1 85159680 GURHAFPJQZMSGW-UHFFFAOYSA-N 252.314 0.572 0 50 CCAA COC[C@@H](C)NC(=O)c1cn(C(C)C)cc(C(=O)O)c1=O 426465133 IFVDZVKBXBZKEB-SECBINFHSA-N 296.323 0.892 0 50 CCAA COCCN(C)C[C@@H]1CN(C(=O)C=C(C)C)C[C@@H]1CO 91645111 CEXUCIZGDRPJAH-ZIAGYGMSSA-N 284.400 0.598 0 50 CCAA CCN1C[C@@H](C(=O)NCCc2nc(C)cc(C)n2)CC1=O 91726003 KMGHAVJYNMNMIF-LBPRGKRZSA-N 290.367 0.621 0 50 CCAA C[C@@]1(O)CCN(C(=O)c2ccc3nccn3c2)C[C@@H]1O 96149842 GCKPDBYIVVDJIK-SMDDNHRTSA-N 275.308 0.292 0 50 CCAA Cc1nc(CCc2nc(-c3cccnn3)no2)n[nH]1 91951116 QQNRGGRXOBSBOL-UHFFFAOYSA-N 257.257 0.738 0 50 CCAA Cc1nc(CC(=O)NCCN2CCCC[C@@H]2CO)cs1 96138075 HZNSQHXWYHRXAT-CYBMUJFWSA-N 297.424 0.957 0 50 CCAA Nc1nc(NCc2ccon2)cc([C@H]2C[C@@H](O)C2)n1 244882711 XWYYRBYGMHRHEL-OTSSQURYSA-N 261.285 0.897 0 50 CCAA CC(C)n1ccnc1CN[C@@H](C)CN(C)CCO 534671689 YRAUUHOAQNQHPN-LBPRGKRZSA-N 254.378 0.866 0 50 CCAA COc1ccc2c(c1)C(=O)N1C[C@H](N(C)C)C[C@H]1C(=O)N2 534641529 YTIPJHSHSNOFIE-RNCFNFMXSA-N 289.335 0.792 0 50 CCAA OC[C@@H]1CCCN(CCCNc2cnccn2)C1 828711186 OZGAOYVOXZWOGV-GFCCVEGCSA-N 250.346 0.983 0 50 CCAA CCN1CCC[C@H]1C(=O)N1CCN(c2cnccn2)CC1 823112166 LGGXASUVBVOMPA-ZDUSSCGKSA-N 289.383 0.610 0 50 CCAA CN(C)S(=O)(=O)N1CC(Oc2ccccc2)C1 823724774 FNBNKTMFKCQKON-UHFFFAOYSA-N 256.327 0.556 0 50 CCAA CC[C@H](C(=O)NCc1nncn1CCOC)n1cccc1 584886083 LPAPWIRMOZPHRP-GFCCVEGCSA-N 291.355 0.994 0 50 CCAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Cn1cnnn1 670465158 XVHFXGPYQZWIGN-SNVBAGLBSA-N 277.332 0.101 0 50 CCAA NC(=O)CN1CCC(CNC(=O)C2CCC2)CC1 952990172 WCILXEALNVPPGT-UHFFFAOYSA-N 253.346 0.100 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@@H](C)c1nn(C)cc1OC 1597601266 WCLVDGNHKXBZEK-JTQLQIEISA-N 294.355 0.640 0 50 CCAA C[C@@H]1CCN(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)C1 408131714 HVYYXOKIFGKIFQ-SNVBAGLBSA-N 289.401 0.303 0 50 CCAA O=C(c1ccc(CO)c(F)c1)N1CCS(=O)CC1 408273052 MXIQMSXHWZLMEH-UHFFFAOYSA-N 271.313 0.523 0 50 CCAA C[C@@H]1[C@H](C(=O)NCC2(C(N)=O)CCOCC2)C1(F)F 408230849 JIVALIBDUPRECQ-HTQZYQBOSA-N 276.283 0.286 0 50 CCAA COC(=O)[C@H]1CN(CC[S@@](=O)c2ccccc2)CCO1 170621641 YNNMPRRDFJRVRL-ZUOKHONESA-N 297.376 0.668 0 50 CCAA Cc1ccc(CN2CCO[C@@H](Cn3ccnn3)C2)nc1 639855193 AEMQVQCZLPATRQ-CQSZACIVSA-N 273.340 0.883 0 50 CCAA O=S(=O)(N[C@H]1COCC[C@@H]1O)c1ccc(Cl)s1 710907777 ASBBCCXXOZFYDH-BQBZGAKWSA-N 297.785 0.830 0 50 CCAA COc1ccc(Cn2cc(CCO)cnc2=O)cc1F 664075494 AMICGEPLXWJALU-UHFFFAOYSA-N 278.283 0.974 0 50 CCAA CNC(=O)c1ccc(=O)n(C/C=C(\C)COC)c1 901477008 MMAMJBJILFYZNN-UXBLZVDNSA-N 250.298 0.801 0 50 CCAA Cc1cnc(C(=O)N2C[C@H](Cc3ccncc3)[C@@H](O)C2)cn1 1616071829 OZIRBMATQOUMON-ZFWWWQNUSA-N 298.346 0.856 0 50 CCAA CC(C)Cc1noc(CN2C(=O)C[C@H]3NCC[C@H]32)n1 1857686741 FVDNKQXEPTVDMK-NXEZZACHSA-N 264.329 0.731 0 50 CCAA CCC1(NS(=O)(=O)c2cnn(C)c2)CCOCC1 408021833 JMGHLYKUQYHMEW-UHFFFAOYSA-N 273.358 0.658 0 50 CCAA C[C@H](N)C(=O)N1CCN(c2ncccc2Cl)CC1 237397734 XXVCVQDGSWJLMP-VIFPVBQESA-N 268.748 0.731 0 50 CCAA CC[C@@H]1COCc2nnc(CN(C)S(C)(=O)=O)n21 1772814575 IFMKNJPSXVNPMT-MRVPVSSYSA-N 274.346 0.151 0 50 CCAA CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCOCC1 12381973 JBZRXPSOWXAPME-GFCCVEGCSA-N 280.324 0.893 0 50 CCAA C[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3ccccc3)CN2C1=O 14746729 CJZBMARUQGGGQW-DRZSPHRISA-N 273.336 0.264 0 50 CCAA CN1CCN(C(=S)SCCN2CCCC2=O)CC1 19536693 ZKSNLCIEJJAFMB-UHFFFAOYSA-N 287.454 0.874 0 50 CCAA O=C(N[C@H]1CCCCCC[C@@H]1O)c1cccc2nnnn12 1857669931 DHYYZVYZXRLSIX-JQWIXIFHSA-N 289.339 0.938 0 50 CCAA O=C(NCCc1ccc(Cl)s1)[C@@H]1C[C@@H](O)CN1 226318551 XCNAAYBMIUBPIY-APPZFPTMSA-N 274.773 0.783 0 50 CCAA CN1CCO[C@H](C(=O)N(C)C[C@@H]2CCn3ccnc3C2)C1 328636945 VUPLKAOHZAMJAV-OLZOCXBDSA-N 292.383 0.235 0 50 CCAA Cc1occc1C(=O)N1CCC[C@@](O)(Cn2ccnn2)C1 331379503 IIINQZJTOAHVDU-AWEZNQCLSA-N 290.323 0.847 0 50 CCAA CC(C)[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCO1 538699726 KCMUKMPXIGODKA-LLVKDONJSA-N 275.312 0.621 0 50 CCAA CC[C@H](C)[C@H](NS(=O)(=O)N1CCCOCC1)C(=O)O 864096074 ZBZFFJORRAPBRS-UWVGGRQHSA-N 294.373 0.042 0 50 CCAA NC[C@@H]1CN(C[C@]2(O)CCCNC2)C[C@H]1c1ccccc1 952877424 PUWVMSYOUPEBES-IKGGRYGDSA-N 289.423 0.775 0 50 CCAA O=S(=O)(NCc1ncc(C(F)(F)F)[nH]1)c1ncc[nH]1 952992602 AMIXPWPBEDXHAC-UHFFFAOYSA-N 295.246 0.630 0 50 CCAA Cn1ncc(CN(CCN)CCN)c1C(F)(F)F 1875284220 QTYGUNWXXRTICP-UHFFFAOYSA-N 265.283 0.158 0 50 CCAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccc[nH]1 1875403497 VILCDSHCYUDDFW-RAIGVLPGSA-N 274.324 0.781 0 50 CCAA O=C(C[C@@H]1COCCN1)Nc1ccc2[nH]ncc2c1 128951469 HPUZDXMIAADBQV-LLVKDONJSA-N 260.297 0.880 0 50 CCAA O[C@H]1c2ccccc2C[C@H]1N1C[C@@H](O)[C@H](n2ccnn2)C1 1775957945 UJXJXXDVEWDWDD-TUVASFSCSA-N 286.335 0.154 0 50 CCAA COCCc1noc(CSc2nnc(CCN)n2C)n1 426436848 ZEZQFECSYTVTNU-UHFFFAOYSA-N 298.372 0.181 0 50 CCAA CCc1cnc(NC[C@H]2CCS(=O)(=O)C2)nc1 95392285 LXPBZXHGHACWFW-SNVBAGLBSA-N 255.343 0.886 0 50 CCAA COc1cc2c(cc1-c1cc(=N)[nH]c(=N)[nH]1)OCO2 2100483196 YJBRPDVSEWDIJT-UHFFFAOYSA-N 260.253 0.706 0 50 CCAA Cn1cnc2c[nH]c(=NC[C@@H]3C[C@@H]4CC[C@H]3O4)nc21 2100539481 KFTXGTRZKRLDCH-ATZCPNFKSA-N 259.313 0.765 0 50 CCAA COCC(C)(COC)NC(=O)c1nc[nH]c2nccc1-2 2325781310 CCJUKKNILDRQIW-UHFFFAOYSA-N 278.312 0.691 0 50 CCAA CN1CCc2ncnc(N3CCC[C@H]3C(=O)N(C)C)c2C1 222191665 NNOJVZWJPYLUCK-ZDUSSCGKSA-N 289.383 0.522 0 50 CCAA CCCCNc1nc(SCC(N)=O)nc(N(C)C)n1 2882247 UMBIMDWBHHUXTK-UHFFFAOYSA-N 284.389 0.727 0 50 CCAA Nc1cc(=O)[nH]c(SCC(=O)NCc2ccccc2)n1 6995445 JLMIHVQCGCEMAH-UHFFFAOYSA-N 290.348 0.761 0 50 CCAA CC(C)N(C)S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 229357162 KDYDEFQTULQMAP-NEPJUHHUSA-N 275.418 0.788 0 50 CCAA CS(=O)(=O)Nc1cccc(N2C[C@@H](C(=O)O)CC2=O)c1 65403325 NWOFWZCQTODQPB-QMMMGPOBSA-N 298.320 0.496 0 50 CCAA COc1cccc(CNC(=O)[C@H]2CCC(=O)N2C)n1 352787499 FJWPCGPEIBGYQS-SNVBAGLBSA-N 263.297 0.327 0 50 CCAA Cc1nc(N)nc(NCCc2nnc(O)n2C)c1Cl 1506408508 YSLCNRXMTPHQIW-UHFFFAOYSA-N 283.723 0.509 0 50 CCAA CCN1CCN(C(=O)c2cc[nH]n2)C[C@H]1c1nccn1C 328614209 AAFVOPJIVPYHSH-LBPRGKRZSA-N 288.355 0.662 0 50 CCAA CN1CC2(CCN(c3ncc(F)cn3)CC2)C[C@@H]1C(=O)O 72133537 XECDUKPFLVBUCQ-LLVKDONJSA-N 294.330 0.991 0 50 CCAA O=C(C1CC1)N1CCC(NS(=O)(=O)CC2CC2)CC1 329315678 HHQOBMAPKZKNFV-UHFFFAOYSA-N 286.397 0.717 0 50 CCAA CC[C@H]1CN(C(=O)COC(C)C)CCN1C[C@@H](C)O 330691373 QVXAJGSKXRWXCO-OLZOCXBDSA-N 272.389 0.715 0 50 CCAA Cn1c(=O)oc2cc(CNCCCS(C)(=O)=O)ccc21 253417419 DZHMZQVCVAXRRI-UHFFFAOYSA-N 298.364 0.656 0 50 CCAA CC[C@H](C)[C@@H](OC)C(=O)Nc1cn(C)c(=O)n(C)c1=O 331129169 AOXZOMRFUHQUPU-WCBMZHEXSA-N 283.328 0.084 0 50 CCAA CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc[nH]c2C2CC2)C1 366945736 QBOAVDHAQHKAMB-SNVBAGLBSA-N 297.380 0.656 0 50 CCAA O[C@@H](COC1CCOCC1)CN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 333772370 YEIOKDPUBIKCQJ-YMILTQATSA-N 297.395 0.652 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(C)o2)C1 284475349 BNOULXVXBNCEIQ-IUCAKERBSA-N 252.270 0.303 0 50 CCAA Cc1c(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)ccn1C 426684357 DHZNPWYVDOKMHB-KBPBESRZSA-N 277.368 0.927 0 50 CCAA CCN1C[C@H](C(=O)NCCCc2ccncc2)CC1=O 91468599 WGQOVELJZKRNRY-CYBMUJFWSA-N 275.352 0.999 0 50 CCAA CN1CC[C@@]2(CCN(C(=O)NCCn3ccnc3)C2)C1 291765607 VGEFOOJQLATGAR-CQSZACIVSA-N 277.372 0.620 0 50 CCAA Cc1nncn1CCN1C(=O)COc2cccnc21 95379464 MYTWVUASLGUPGT-UHFFFAOYSA-N 259.269 0.407 0 50 CCAA OCC(CO)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244795263 RCTBAFNBKANBMV-UBHAPETDSA-N 257.355 0.503 0 50 CCAA O=C(CCn1cnnn1)Nc1ccc2c(c1)OCC(=O)N2 524734633 XGYGZQMGURMHNX-UHFFFAOYSA-N 288.267 0.033 0 50 CCAA O=C(O)[C@@H]1CCN(Cc2cnc(N3CCOCC3)s2)C1 252485184 GOTXGZABADZGEC-SNVBAGLBSA-N 297.380 0.886 0 50 CCAA CN(CC(=O)O)c1ncc(CN2CC[C@@H](N(C)C)C2)cn1 534581686 CYMVYSQLJSXHLE-GFCCVEGCSA-N 293.371 0.133 0 50 CCAA C[C@H](Cn1ccnc1)NCC1(CN2CCN(C)CC2)CC1 534673738 XTEKNWAPUDHJPI-OAHLLOKOSA-N 291.443 0.889 0 50 CCAA C[C@@H]1CN(C(=O)C2(O)CCCC2)CCS(=O)(=O)C1 365339836 ACFZYOBOGJGMMY-SNVBAGLBSA-N 275.370 0.185 0 50 CCAA COCCN1CCC[C@@H](C(=O)NCCc2nccn2C)C1 299775915 LTPQJQUFYADLOM-CYBMUJFWSA-N 294.399 0.437 0 50 CCAA COCCOC1CCN(C(=O)c2nccn2C)CC1 299755905 AIFJYDDZWRXHMI-UHFFFAOYSA-N 267.329 0.688 0 50 CCAA Oc1n[nH]c(CNC2CCN(Cc3ccco3)CC2)n1 828401197 NENSRLTWJQLJOE-UHFFFAOYSA-N 277.328 0.858 0 50 CCAA C/C=C/CC(=O)N1CCCN(CC(=O)N(C)C)CC1 584884975 VGPUFXARLOCAOH-SNAWJCMRSA-N 267.373 0.575 0 50 CCAA Cc1cc(C)c2ncn(Cc3nc(C(N)=O)no3)c(=O)c2c1 584890247 KHOLKAHLVBUTOW-UHFFFAOYSA-N 299.290 0.544 0 50 CCAA COc1ccnc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1 584889389 OYVFMTABQAXHKW-SECBINFHSA-N 277.280 0.367 0 50 CCAA Cn1cc(CCn2cnc3cccnc3c2=O)cn1 584898695 VNTSRCLWJYBWQE-UHFFFAOYSA-N 255.281 0.768 0 50 CCAA CC(=O)N1CCN(Cc2nccs2)C[C@H](O)C1 670451156 UJKYIAWGPBTCGG-JTQLQIEISA-N 255.343 0.168 0 50 CCAA COc1cc(C)ccc1C(=O)NC[C@H]1CCNC[C@@H]1O 1565506727 SPMDYCFLOXRSDJ-YPMHNXCESA-N 278.352 0.704 0 50 CCAA Cn1ccc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c1 268713507 YAUUWZKJEQOPDQ-ZYHUDNBSSA-N 299.396 0.473 0 50 CCAA O=C(NC1(c2ccc(F)cc2)CC1)C1CS(=O)(=O)C1 630928335 CXEUCMOTROPHKF-UHFFFAOYSA-N 283.324 0.976 0 50 CCAA CCOC(=O)C(C)(C)NC(=O)c1coc(C(N)=O)c1 273569708 FTWVAMBAGIKKKH-UHFFFAOYSA-N 268.269 0.450 0 50 CCAA COc1ccc(CCCN(C)C(=O)[C@H]2C[C@@H](O)CN2)cc1 276717057 ZIPIPTNUPLBRFH-UKRRQHHQSA-N 292.379 0.809 0 50 CCAA CO[C@]1(CO)CCCN(C(=O)c2cnn3ccncc23)C1 401695279 JTZIFDKRWOBGEX-CQSZACIVSA-N 290.323 0.343 0 50 CCAA O=C(N1CCCC1)[C@]1(O)CCCN(Cc2ncccn2)C1 408047566 HIEGSVMTZVNTHP-HNNXBMFYSA-N 290.367 0.426 0 50 CCAA Cc1cc(O)ncc1NS(=O)(=O)N1CCCC1 408303750 SJXXXFQJJHXNRF-UHFFFAOYSA-N 257.315 0.848 0 50 CCAA O=C([C@H]1C[C@H](F)CN1)N1CCN(c2ccccn2)CC1 188689083 LBCVQTPIKOWWNF-NWDGAFQWSA-N 278.331 0.430 0 50 CCAA Cn1ccc(CN[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)n1 639372031 WEIUSDGAHAJAQY-MCIONIFRSA-N 264.373 0.497 0 50 CCAA NC(=O)NCc1cn(CCCC2CCOCC2)nn1 641112194 IMAAJJDMXGHQOI-UHFFFAOYSA-N 267.333 0.653 0 50 CCAA COc1ccc(CN2CCC[C@@](O)(CC(N)=O)C2)cn1 643746557 PIWNQYSTBSGNTD-CQSZACIVSA-N 279.340 0.293 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1nc(C)ccc1O 643762931 NCBFORSOUFGSHB-CQSZACIVSA-N 279.340 0.562 0 50 CCAA Cc1nc(CCn2cnc3c(nnn3C)c2=O)cs1 647135749 BTZRPVKZRLVDDR-UHFFFAOYSA-N 276.325 0.533 0 50 CCAA C[C@H](C(=O)Nc1ccn(CC(=O)O)n1)C1CCOCC1 192879118 FSLPYKFBEPLXPW-VIFPVBQESA-N 281.312 0.969 0 50 CCAA O=C(Nc1cc2cc[nH]c2cn1)N1CCO[C@H](CO)C1 654140555 KTRNBCPGJKSHET-JTQLQIEISA-N 276.296 0.788 0 50 CCAA Cc1cccnc1CCNC(=O)c1ccc2c(c1)B(O)OC2 584998473 QVNATTDXKQFUHS-UHFFFAOYSA-N 296.135 0.580 0 50 CCAA CC1=C(C)C(=O)N(CCC(=O)N[C@@H](CCO)C(C)C)C1=O 585129621 PRECZGRJLOGAJP-LBPRGKRZSA-N 296.367 0.605 0 50 CCAA Cc1ncsc1C(=O)N1C[C@@H](N)[C@H](c2ccnn2C)C1 1615590331 KQMFHOUJKROPBB-NXEZZACHSA-N 291.380 0.752 0 50 CCAA C[C@H](CS(=O)(=O)N(C)CC(N)=O)C(C)(C)C 1616038320 LUAWASWIOYYRQE-MRVPVSSYSA-N 250.364 0.416 0 50 CCAA Cc1cc(C(=O)N[C@H](C)c2nc(=O)[nH][nH]2)ccc1O 216315161 JVMBJPLTTXYFMV-SSDOTTSWSA-N 262.269 0.603 0 50 CCAA CC(C)c1cc(C(=O)NC[C@]2(O)CCCNC2)nc(N)n1 1506427571 NJVYZQJPLHXZKZ-AWEZNQCLSA-N 293.371 0.027 0 50 CCAA CCN(Cc1nc(C(F)(F)F)no1)[C@@H](C)C(N)=O 1529162133 WTTZDLMTMZRURQ-YFKPBYRVSA-N 266.223 0.784 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)N1CC(=O)N(CCOC)C1 408473365 YWLPPWBGWVUKEO-NEPJUHHUSA-N 284.356 0.466 0 50 CCAA Cn1cc(CCCNC(=O)[C@@H]2CC[C@H](N)C2)cn1 237774377 VTTIXQVVOXTMRD-NEPJUHHUSA-N 250.346 0.596 0 50 CCAA CCN(CC1CCOCC1)C(=O)[C@]12CNC[C@H]1CN(C)C2 209920682 GFVSQDWAEKLETF-HOCLYGCPSA-N 295.427 0.413 0 50 CCAA O=C(NCC1OCCO1)N1CC[C@]2(C1)OC[C@H]1C[C@@H]12 1875329438 WKIYVEATJNNIGB-GBIKHYSHSA-N 268.313 0.180 0 50 CCAA CCN1CC[C@H]1C(=O)N(C)[C@H]1CCCN(C(C)=O)C1 1875341109 GNHJRSWYDZIZIG-STQMWFEESA-N 267.373 0.550 0 50 CCAA CN(Cc1cn(C)nn1)Cc1ncc(Br)cn1 931870039 ZTWZCYUORKMOBC-UHFFFAOYSA-N 297.160 1.000 0 50 CCAA CC(C)O[C@@H]1N=C(N[N+](=O)[O-])N(C)[C@H]1OC(C)C 5023296 QNNQJPNPVQXHIJ-IUCAKERBSA-N 260.294 0.571 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)Cc2cccnc2)CC[C@@H]1O 1857715163 FKTYHBQWEIFGCG-HOCLYGCPSA-N 292.379 0.996 0 50 CCAA Nc1nccnc1C(=O)Nc1cnc(C2CC2)nc1 114687072 FDUWDQGHMNGUKG-UHFFFAOYSA-N 256.269 0.979 0 50 CCAA O=C(NN1C[C@@H](C(=O)O)CC1=O)c1ccccc1Cl 4555492 BOHNMOBKCGXLKC-ZETCQYMHSA-N 282.683 0.918 0 50 CCAA CN1C[C@@H](NC(=O)c2cnnn2C)[C@H](c2ccccc2)C1 366973212 LGMPPMIHNLOKLR-QWHCGFSZSA-N 285.351 0.643 0 50 CCAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1CCCNC1)CC2 161891728 GJPVDTJKWPXDNM-HZSPNIEDSA-N 296.411 0.765 0 50 CCAA CCn1ncc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)n1 816325526 MCJHMTLNGVSWLY-LLVKDONJSA-N 295.387 0.215 0 50 CCAA C[C@H]1c2cccn2CCN1C(=O)CC[C@@H]1NC(=O)NC1=O 1248600903 PQYPLFAGTYDJMS-UWVGGRQHSA-N 290.323 0.380 0 50 CCAA c1nsc(N2CCN(C[C@H]3CCC4(COC4)O3)CC2)n1 930630430 CGZSKESODVAHIU-LLVKDONJSA-N 296.396 0.608 0 50 CCAA CNC(=O)[C@@]12CCOC[C@H]1CN(c1nccc(OC)n1)C2 952852373 FCKJKVZDRIXUTP-QMTHXVAHSA-N 292.339 0.074 0 50 CCAA CC(C)C(=O)N[C@H]1CC12CCN(Cc1nnn(C)n1)CC2 952895073 RUIWPRGRLPDEPY-NSHDSACASA-N 292.387 0.337 0 50 CCAA CC(=O)N(C)c1nc(CN2CC(C)(O)C2)cs1 1875269916 AQNMMXKUSVVOSR-UHFFFAOYSA-N 255.343 0.692 0 50 CCAA COc1cccnc1[C@H](O)CNC(=O)/C=C/CN(C)C 1875377195 VNLVZOXIHKXLRT-OKPNEXGHSA-N 279.340 0.358 0 50 CCAA COC(=O)/C=C/CNC(=O)Cc1ccc2c(c1)ncn2C 1875333362 PUQIVLDFNZGBBY-ONEGZZNKSA-N 287.319 0.961 0 50 CCAA C[C@H](CO)NC(=O)c1[nH]nc2ncc(Br)cc12 1875321275 BESOYGYHXWQCNA-RXMQYKEDSA-N 299.128 0.831 0 50 CCAA CN(C)C/C=C/C(=O)NCC[C@]1(O)CCCOC1 1875376996 PJTWGSZOBXAVHI-MASHWEEQSA-N 256.346 0.152 0 50 CCAA CO[C@@H]1CN(Cc2cccn2C)C[C@H]1c1cn(C)nn1 886094222 VNGBSWKWBKCIOV-GXTWGEPZSA-N 275.356 0.768 0 50 CCAA CCc1nc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)no1 888097774 OJTDYZKXRFAEDB-RKDXNWHRSA-N 281.312 0.292 0 50 CCAA C[C@@]1(NC(=O)Cc2ccc(-n3ccnc3)cc2)CCNC1=O 889025771 XJJITVXPJJFAQQ-MRXNPFEDSA-N 298.346 0.810 0 50 CCAA CC(C)c1n[nH]c([C@@H]2CN([C@H]3CCOC3=O)CCO2)n1 257366028 GPXNALNLDSIBOA-UWVGGRQHSA-N 280.328 0.617 0 50 CCAA CCc1cc(C(=O)N2CC[C@@](OC)(C(=O)O)C2)n(C)n1 634805148 FUVOKALAQWHQML-ZDUSSCGKSA-N 281.312 0.298 0 50 CCAA O=C(O)C[C@H]1CCCN1C(=O)c1cnn2c1CCC2 637794893 POKAOZVUJBHMJS-SECBINFHSA-N 263.297 0.909 0 50 CCAA CCN(CCCO)[C@H]1CCN(c2ccn(C)n2)C1=O 368432770 FNTLKKYSBSOIEG-NSHDSACASA-N 266.345 0.230 0 50 CCAA CC(=O)Nc1nc(C(=O)N2CCNC(=O)C[C@H]2C)cs1 370996071 CGCUMMCZWHWAHO-SSDOTTSWSA-N 296.352 0.452 0 50 CCAA N=c1nc(C2CC2)nc(N2CCN3CCCC[C@H]3C2)[nH]1 383525506 KEAJIUAFYJNJLG-NSHDSACASA-N 274.372 0.836 0 50 CCAA Cc1c[nH]nc1C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 907959315 ZZYNLJGZMBAKFC-QCLAVDOMSA-N 263.297 0.947 0 50 CCAA CN1C[C@@H](c2nc(-c3ccccc3)no2)NCC1=O 899993871 OJXPKKMFQSWTNP-JTQLQIEISA-N 258.281 0.839 0 50 CCAA Cc1cnn(C2CCN(C(=O)C3=NNC(=O)C3)CC2)c1 2325727918 QBRKYNANNGJAKW-UHFFFAOYSA-N 275.312 0.231 0 50 CCAA O=C(Nc1cnc(C2CCC2)nc1)c1n[nH]c(O)n1 2325821477 RUKOLBLCDBZMDV-UHFFFAOYSA-N 260.257 0.820 0 50 CCAA NNS(=O)(=O)c1ccc(I)cc1 402253 IAXWCGDMDZJFHA-UHFFFAOYSA-N 298.105 0.443 0 50 CCAA COc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCO2)c1 2855954 XQNCNOXGIYLKCT-ZDUSSCGKSA-N 292.335 0.607 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)c2cnn3ccccc23)CCO1 224811108 IVWCKXBFZIPXTR-SNVBAGLBSA-N 289.291 0.650 0 50 CCAA CN(CCN1CCOCC1)C(=O)C[C@@H]1CCCCNC1=O 225605671 UHKKRLRLHHRHPV-ZDUSSCGKSA-N 297.399 0.083 0 50 CCAA NC(=O)CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 112863800 VEOHPJYDBQUCLF-DTWKUNHWSA-N 254.236 0.670 0 50 CCAA NCc1cccc(S(=O)(=O)N2CCOCC2)c1 22212480 PYSTYMQELDDEMC-UHFFFAOYSA-N 256.327 0.166 0 50 CCAA CCOC(=O)[C@@H]1C(=O)COCCN1C(=O)OC(C)(C)C 100131128 CRMCVFCPWKMQAH-JTQLQIEISA-N 287.312 0.755 0 50 CCAA O=C1NC(=O)[C@@H](Cc2nc(Cc3ccccc3)n[nH]2)N1 65465892 JDUSBYBFDWBQGI-SECBINFHSA-N 271.280 0.146 0 50 CCAA CN(C)c1nccnc1NC[C@H]1CC(=O)N(C2CC2)C1 302190505 KWEGSNGYGAAUCE-SNVBAGLBSA-N 275.356 0.965 0 50 CCAA O=C(CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)NC1CC1 250876188 UDNDSSWLRFWZMA-WCQGTBRESA-N 266.341 0.983 0 50 CCAA CC(C)NC(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O 409413246 GTFBOEGVNOMWHT-SNVBAGLBSA-N 279.296 0.615 0 50 CCAA Cn1ncc(CN2CC[C@](N)(C(=O)O)C2)c1C1CC1 67920362 ROLRPCHXPBUXMK-CYBMUJFWSA-N 264.329 0.285 0 50 CCAA O=C(C1CCOCC1)N1CCC[C@H](CN2CCOCC2)C1 69711182 XJADBUUAJIQLGR-CQSZACIVSA-N 296.411 0.984 0 50 CCAA O=C(NCCCc1nnc2ccccn12)c1cnccn1 120259782 XLHDOFUZXYCVRO-UHFFFAOYSA-N 282.307 0.882 0 50 CCAA O=C(NCc1ccccc1Cn1cccn1)c1cnn[nH]1 72164394 OHMWCWPRCHMAKQ-UHFFFAOYSA-N 282.307 0.980 0 50 CCAA CN(CCNC(=O)N1CC[C@H](O)C(C)(C)C1)C1CC1 331524831 QHRCSMBXRXQOPP-LBPRGKRZSA-N 269.389 0.883 0 50 CCAA CO[C@H](C(=O)N[C@H]1CCO[C@@H]1C1CC1)c1cnn(C)c1 332728089 HCKDLYQWOHOTSK-XQQFMLRXSA-N 279.340 0.791 0 50 CCAA CC(C)C[C@@H](NC(=O)CCc1cnn(C)c1)C(=O)O 236767519 GBRAGBCJPTYVGD-LLVKDONJSA-N 267.329 0.968 0 50 CCAA C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCO[C@@H]2CCC[C@H]21 333319311 WQZVAFRXWBNSMF-QCNOEVLYSA-N 275.370 0.747 0 50 CCAA Cc1cccn2c(=O)cc(CN3CC[C@@](F)(CO)C3)nc12 338586892 FLODZUJOPRHOJH-HNNXBMFYSA-N 291.326 0.909 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)c1ccc(C)n(C)c1=O 215723248 NMOYLCROYCKSBQ-UHFFFAOYSA-N 293.367 0.728 0 50 CCAA Cc1nnc(-c2ccc(C(=O)N3CC[C@@H](N)C3)cc2)[nH]1 237676616 UHMJCYWCUNFOMD-GFCCVEGCSA-N 271.324 0.953 0 50 CCAA Cn1cc(N2CCN(C(=O)[C@H]3CCC[C@H](N)C3)CC2)cn1 237692715 NCGAZHACCZGYCC-STQMWFEESA-N 291.399 0.586 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)CCc1nccs1 262493565 MIVSZVHHQLTPJF-QMMMGPOBSA-N 270.310 0.388 0 50 CCAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1cnc[nH]1 219856827 GXAMVHBNQXJCGS-JTQLQIEISA-N 276.340 0.931 0 50 CCAA CC1(C)[C@H]2CN(C(=O)c3cn(C4CCNCC4)nn3)C[C@H]21 262606305 BWRWAJBBKRAQJR-TXEJJXNPSA-N 289.383 0.931 0 50 CCAA C[C@H]1CN(C(=O)Cc2cncn2C)C[C@@]2(CCOC2)O1 527276003 QJAWFYQJGJOUBM-SMDDNHRTSA-N 279.340 0.369 0 50 CCAA Cc1ccc(C(=O)NCCc2n[nH]c(N)n2)s1 223824730 BLIFUQVLRKWXHM-UHFFFAOYSA-N 251.315 0.729 0 50 CCAA C[C@@H](C(=O)N1CCC12CCC2)N1CCN(C)CC1 335718872 YIANQAASNVUIIL-LBPRGKRZSA-N 251.374 0.777 0 50 CCAA O=C(NCc1nc(-c2ccncc2)n[nH]1)[C@H]1CCCO1 222987463 BTWZVAGVUAZFHD-SNVBAGLBSA-N 273.296 0.662 0 50 CCAA CN(C[C@H]1COCCO1)C(=O)c1cncc(F)c1 221438373 LZLYETRIFKFLEI-NSHDSACASA-N 254.261 0.708 0 50 CCAA CCn1ccnc1C1CCN(C(=O)CNC(N)=O)CC1 91680727 WWCOIIVUVIRPQB-UHFFFAOYSA-N 279.344 0.277 0 50 CCAA C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@]1(O)C1CC1 91603386 QZJBDTUKYOZMQI-SKDRFNHKSA-N 275.370 0.041 0 50 CCAA Cc1nc(C2CCOCC2)nn1-c1ccc2nncn2n1 97532594 NKVBSWUZEYNITK-UHFFFAOYSA-N 285.311 0.907 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccnc1SC 534589529 NRUYTXCQXIDFTC-QWRGUYRKSA-N 281.381 0.862 0 50 CCAA Cc1ccc(CS(=O)(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 632349779 IZJHYTPODKDHJQ-KBPBESRZSA-N 298.408 0.432 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCC(c2nnc3ccccn23)CC1 299764741 KKTIPQDJEQEQFO-ZDUSSCGKSA-N 297.362 0.963 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@H]1CCCN(C(=O)C(C)C)C1 299791366 DOWQGMHOIMPXGR-JTQLQIEISA-N 279.344 0.490 0 50 CCAA COCCN1C[C@@H](C(=O)N2CCCN(C)CC2)CCC1=O 824412507 YZHRQQRDYBPKSG-ZDUSSCGKSA-N 297.399 0.036 0 50 CCAA CNC(=O)c1cccnc1NCCCN1CCC[C@@H](O)C1 823836617 ZPYFMMSCVWGVSR-GFCCVEGCSA-N 292.383 0.700 0 50 CCAA CSCC(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 584902469 KUJYNTMOXRGIHL-QWRGUYRKSA-N 258.387 0.407 0 50 CCAA Cc1nn[nH]c1C(=O)N(C)C[C@H]1CCN(C)C1(C)C 584889771 UETQIQYJJFLLJY-SNVBAGLBSA-N 265.361 0.915 0 50 CCAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)C1CCNCC1 170046736 SANVZPFOOPDGFW-TUAOUCFPSA-N 252.358 0.916 0 50 CCAA COC[C@@H]1CN(C(=O)c2oc(C)nc2C)CCO1 408274113 WBAVPFGBGXYWOX-JTQLQIEISA-N 254.286 0.779 0 50 CCAA CCn1cc(NC(=O)CN2CCCC[C@H](O)C2=O)cn1 644307361 RULWTVRABTURQI-NSHDSACASA-N 280.328 0.215 0 50 CCAA O=C(N[C@H](Cc1ccncc1)C(=O)O)[C@@H]1CCCCO1 655600357 DNMXBGHWXCRYBW-NEPJUHHUSA-N 278.308 0.763 0 50 CCAA COCCN(C(=O)NCc1cncn1C)[C@H]1CCOC1 573652853 BGSIRHORRSLKFM-NSHDSACASA-N 282.344 0.367 0 50 CCAA CN(C)c1nccc(CNC(=O)N[C@@H]2CCCCNC2)n1 580704100 HHJAGGSPCGEIHL-LLVKDONJSA-N 292.387 0.484 0 50 CCAA Cc1c(F)ccc(Cl)c1C(=O)NCCS(N)(=O)=O 1615589623 DYZCRURWZVFHGE-UHFFFAOYSA-N 294.735 0.806 0 50 CCAA O=C(CCO)N1CCCN(C(=O)[C@@H]2CC23CC3)CC1 1529145876 OWVNHJLIZXVEGU-NSHDSACASA-N 266.341 0.230 0 50 CCAA NCC(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704354627 JXUQJOQWBKWONU-IUODEOHRSA-N 285.347 0.555 0 50 CCAA Cn1c(NC(=O)/C=C/c2ccccc2)cc(=O)n(C)c1=O 473362 JWFOESGZVCHPIE-CMDGGOBGSA-N 285.303 0.736 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCCC[C@H]2C(C)=O)C1 1875387608 PNHWZEIGMTUWFZ-LBPRGKRZSA-N 264.325 0.601 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)[C@@H]2CCO[C@H]2C(C)C)C1 375699755 XCAFOVFYTQCLSB-LOWDOPEQSA-N 271.357 0.656 0 50 CCAA Cc1ccoc1C(=O)N1C[C@H]2[C@H](C1)C2(CO)CO 1772708312 ASLOLXFDKBDWRI-UWVGGRQHSA-N 251.282 0.261 0 50 CCAA O=C1N(CC2CC2)CCC[C@]1(O)CN1CCSCC1 12387372 SIDFAXCBHYSCGM-AWEZNQCLSA-N 284.425 0.799 0 50 CCAA OC[C@@H]1CN(c2noc(-c3ccccc3)n2)CC[C@@H]1O 1857724060 KHPTXXQMEXRSOG-RYUDHWBXSA-N 275.308 0.916 0 50 CCAA c1nc(NC2CC2)cc(N2CCN([C@H]3CCNC3)CC2)n1 333518563 KDCDQANREIZUGY-ZDUSSCGKSA-N 288.399 0.535 0 50 CCAA CCn1nc(C)c(CN2C[C@H](C)[C@@H](N3CCOCC3)C2)n1 823476672 AJMGHAZZHDHUJD-WFASDCNBSA-N 293.415 0.759 0 50 CCAA Cc1cn2c(n1)CC[C@H](C(=O)N(C)C[C@H](O)C1CC1)C2 1875279695 OWPASVILVXOTKR-STQMWFEESA-N 277.368 0.983 0 50 CCAA CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)NCCc1cncnc1 1875277216 DSUWMZMUAIYGGG-SMDDNHRTSA-N 277.324 0.882 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@]1(C)CN(C(C)C)C1=O 1875297040 ADEMOIOSKKBMNK-CQSZACIVSA-N 281.356 0.004 0 50 CCAA NC(=O)c1ccc(=O)n(Cc2ccc3nsnc3c2)n1 1875340003 HVNSCVASZNVHDQ-UHFFFAOYSA-N 287.304 0.395 0 50 CCAA O=C(Cc1cc(O)nc(O)n1)NC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1875314139 JEBKVFOMEPRNEG-SDWQVLPFSA-N 289.335 0.839 0 50 CCAA CCn1nc(C)c(CS(=O)(=O)c2cccnc2)n1 1190148691 YDBSOXYCXZCTIN-UHFFFAOYSA-N 266.326 0.975 0 50 CCAA Cn1cc(CC(=O)N(C[C@@H]2CCCN2)C2CC2)cn1 190744098 FIPQENPWXSMASG-LBPRGKRZSA-N 262.357 0.706 0 50 CCAA O=C1CCCN1C[C@H](O)CN1CCOCC12CCCC2 367167010 CBVZFOKTELGSGB-ZDUSSCGKSA-N 282.384 0.615 0 50 CCAA Cc1cc(NC(=O)[C@H](CN)C2CCOCC2)nn1C 864750498 JOKNMYYIFKQTAG-LLVKDONJSA-N 266.345 0.669 0 50 CCAA O=C(O)[C@H]1CSCN1C(=O)c1ncc(F)cc1F 2325805315 ADKLLZBGBFUKCY-SSDOTTSWSA-N 274.248 0.960 0 50 CCAA C[C@@]1(C(=O)NC2(c3nn[nH]n3)CCC2)CCCS1 2325806768 FQSZNITUASVMFZ-JTQLQIEISA-N 267.358 0.981 0 50 CCAA C[C@@H]1CC[C@H]2CN=C(NC[C@@H]3NC(=O)CC3(C)C)N2C1 2325864584 STHPPQHCDLEVDA-WOPDTQHZSA-N 278.400 0.961 0 50 CCAA Cc1cc(N2CCOCC2)nc(N2CCOCC2)n1 99494 IKUMUPPMZRMFLD-UHFFFAOYSA-N 264.329 0.458 0 50 CCAA CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1CC 372094 GZOQUXWLJLXWRM-UHFFFAOYSA-N 265.317 0.289 0 50 CCAA Cc1nc2ccc(CNC(=O)c3nc(=O)n(C)[nH]3)cc2[nH]1 2356144323 RUFOBBZEKPJGAF-UHFFFAOYSA-N 286.295 0.223 0 50 CCAA O=C(C[C@H]1SCCNC1=O)NCc1ccccc1 4520286 LMZRJFCTIBKBAX-LLVKDONJSA-N 264.350 0.925 0 50 CCAA Cc1noc(C)c1NC(=O)N1CCN2CCN(C)C[C@H]2C1 106251547 AVXCUGCWVUVKMX-LBPRGKRZSA-N 293.371 0.755 0 50 CCAA COC(=O)COc1cccc(CNC(=O)CC(C)(C)N)c1 225472745 IIBLEQLDVZDUEG-UHFFFAOYSA-N 294.351 0.982 0 50 CCAA NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 225403506 FKWFYHNYHMTZEV-MMWGEVLESA-N 251.330 0.834 0 50 CCAA O=c1c2c(F)cccc2ncn1CCN1CCNCC1 55244166 CUFYXCVUUFVSKX-UHFFFAOYSA-N 276.315 0.441 0 50 CCAA CCc1[nH]ccc1C(=O)NC[C@H]1CC[C@@H](CO)O1 349693034 KUJWIZYYXLKSOL-ZJUUUORDSA-N 252.314 0.847 0 50 CCAA C[C@H]1C(=O)N(C)CCN1C(=O)Cn1nc2ccccc2n1 67872968 LEASEKBCOBKQSC-JTQLQIEISA-N 287.323 0.120 0 50 CCAA O=S(=O)(Nc1ncccn1)c1cnc2n1CCC2 328600931 DOTLDCFTBLEDLO-UHFFFAOYSA-N 265.298 0.420 0 50 CCAA C[C@@H](C(=O)N1CC=C(c2ccnn2C)CC1)n1cncn1 329337001 YEQDGMOWEXNWIO-NSHDSACASA-N 286.339 0.889 0 50 CCAA Cn1nc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c2c1CCCC2 72146897 BDPNLKOHXIAGJA-ZWNOBZJWSA-N 293.367 0.114 0 50 CCAA Cc1cnn(CC(=O)N2CCO[C@]3(CCOC3)C2)c1 329934169 BWESPSATAONHHC-CYBMUJFWSA-N 265.313 0.209 0 50 CCAA C[C@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@@H](C)N1 153549938 LNWFBKPIXXZPNE-TUAOUCFPSA-N 256.346 0.391 0 50 CCAA Cc1nc(CC2CCN(C(=O)c3cn[nH]n3)CC2)no1 72121570 VRRTYDPRJQRTSO-UHFFFAOYSA-N 276.300 0.591 0 50 CCAA COC1(C(=O)N[C@@H](C)C(=O)N2CCCCC2)CCOCC1 339814189 RRPHXUQREMTFCT-LBPRGKRZSA-N 298.383 0.699 0 50 CCAA COCC1(S(=O)(=O)N2CCOC[C@@H]2C2CC2)CC1 333489818 ZEWDINTUMFITNA-LLVKDONJSA-N 275.370 0.606 0 50 CCAA Nc1nnc(CNC(=O)c2scc3c2OCCO3)s1 219702842 IRJIOYSTJNTFBD-UHFFFAOYSA-N 298.349 0.883 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 261988616 SLQIEHOHCOZZPL-OBZOPLTCSA-N 272.348 0.818 0 50 CCAA OC[C@H]1COCCN(Cc2cnc(N3CCCC3)nc2)C1 77343571 ZBVPNVOCRDPYKJ-AWEZNQCLSA-N 292.383 0.518 0 50 CCAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)C1(C(N)=O)CC1 219955778 GZKXOPDCIHDAJD-VXGBXAGGSA-N 296.367 0.508 0 50 CCAA C=CC(=O)NCCC(=O)Nc1cc2n(n1)CCCC2 286268987 RWYISLUNJNAPAN-UHFFFAOYSA-N 262.313 0.850 0 50 CCAA CN1CC[C@@H](NC(=O)c2cc(F)ccc2O)C1=O 80029635 UQVPMUYIMIKEMK-SECBINFHSA-N 252.245 0.492 0 50 CCAA COc1cccn(CC(=O)N(C)C[C@@H]2CCCCO2)c1=O 95520849 DFFSALZXRXQYJD-LBPRGKRZSA-N 294.351 0.884 0 50 CCAA CCN1CCC[C@@](C)(C(=O)NCCCn2cnnc2)C1 95355967 OXLWJCSYRBHALQ-CQSZACIVSA-N 279.388 0.906 0 50 CCAA CO[C@]1(C)C[C@@H](NC(=O)[C@@H]2COCCN2)C1(C)C 237268149 MUJRZYOMZLHQPE-OPQQBVKSSA-N 256.346 0.295 0 50 CCAA Cc1cc(C(=O)N2CCC[C@H](C(N)=O)C2)c(=O)[nH]c1C 91872368 CRELMXIJKYWEEY-JTQLQIEISA-N 277.324 0.329 0 50 CCAA O=C(c1nn(-c2ccccc2F)cc1O)N1CCNCC1 238161972 OCAQHHZHGUBCNO-UHFFFAOYSA-N 290.298 0.762 0 50 CCAA O=C(CCN1CCCCCC1=O)NCCn1ccnn1 534665564 UJVPYNYZHWRFCR-UHFFFAOYSA-N 279.344 0.187 0 50 CCAA COc1nccnc1NCC1(CN2CCN(C)CC2)CC1 534586805 VFPPXBCUDBSIER-UHFFFAOYSA-N 291.399 0.925 0 50 CCAA COC[C@H](NS(=O)(=O)C1CC1)c1ccccn1 534663950 GESMJLWRSGAKND-NSHDSACASA-N 256.327 0.851 0 50 CCAA CN(Cc1ncon1)C(=O)C(C)(C)N1CCOCC1 283753850 JCNBYQNASKSLQO-UHFFFAOYSA-N 268.317 0.139 0 50 CCAA N[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@@H]1C1CC1 95390636 KRRWDQGGUUELEK-MNOVXSKESA-N 271.324 0.767 0 50 CCAA CC(C)Cn1cncc1CNC(=O)NCCC(=O)O 821502216 VEKCIZOTZCSJOT-UHFFFAOYSA-N 268.317 0.813 0 50 CCAA O=C1N[C@@H](CC2CCCCC2)C(=O)N[C@H]1Cc1cnc[nH]1 828321128 IBOFAMKZZCFNOW-STQMWFEESA-N 290.367 0.906 0 50 CCAA Cc1ncc(-c2nc(CC(C)C)nn2CCO)c(O)n1 828778323 GKDLWCVNXQKTOY-UHFFFAOYSA-N 277.328 0.940 0 50 CCAA O=C(CN1CCc2nocc2C1)NC[C@H]1CCCO1 670457658 UXCWMQRDOVHURN-LLVKDONJSA-N 265.313 0.328 0 50 CCAA CCc1nc(CN(C)S(=O)(=O)c2cnn(C)c2)no1 670448087 GSNJQYJBKMGEEK-UHFFFAOYSA-N 285.329 0.186 0 50 CCAA CC1(S(=O)(=O)N2CCC(N=c3cccn[nH]3)CC2)CC1 408228448 XKYDJQMOYOOIEM-UHFFFAOYSA-N 296.396 0.657 0 50 CCAA C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCOC1 408454669 VVAQAIFNRCYXCY-JTQLQIEISA-N 275.351 0.980 0 50 CCAA O=C(Cn1cccn1)N1CCC[C@H](c2nc(O)n[nH]2)C1 517262603 XNPVQZHKOIHWGZ-VIFPVBQESA-N 276.300 0.113 0 50 CCAA C[C@H]1CN(C(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)C[C@@H](C(=O)O)O1 1594201259 DXJXLWYXWRBWCZ-QGKZMRNZSA-N 271.313 0.500 0 50 CCAA C#CC[C@H](N)C(=O)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 201422773 DAUDPURRFYCCRK-NSHDSACASA-N 293.235 0.897 0 50 CCAA C[C@H](O)CN1CCN(Cc2cnn(C)c2)C[C@H]1C 247058174 FSVUEIGVUHCWJE-NEPJUHHUSA-N 252.362 0.307 0 50 CCAA CC(=O)Nc1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1 187662749 JJSQYOKAYFPDQO-KBPBESRZSA-N 264.325 0.573 0 50 CCAA CN1C[C@H](C(=O)Nc2ccc(N(C)C)cn2)CC1=O 194517568 NJJDZZBNYBBWPP-SECBINFHSA-N 262.313 0.564 0 50 CCAA C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)[C@H]1CCCO1 585125229 KVEGCRJMLYFSAX-GWOFURMSSA-N 254.330 0.666 0 50 CCAA COc1nccnc1N1CCN2C(=O)OC[C@H]2C1 1166928181 RVAIAJYOCDTWQP-MRVPVSSYSA-N 250.258 0.126 0 50 CCAA O=C(NCc1nc(=O)o[nH]1)[C@@]1(c2ccccc2)CCCO1 1614998902 HVXVFUYNYIKELV-AWEZNQCLSA-N 289.291 0.685 0 50 CCAA C[C@@H](NCCN1CCCOCC1)c1cnnn1C 903228449 QWHLIWLNKQNLFU-LLVKDONJSA-N 253.350 0.188 0 50 CCAA O=C(Cn1cccn1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529166975 BTNRDIGWGNDQJR-ZIAGYGMSSA-N 286.335 0.340 0 50 CCAA CN(Cc1ncc(C2CC2)o1)C1CS(=O)(=O)C1 931235691 ZPKMGMOJAKBUQI-UHFFFAOYSA-N 256.327 0.781 0 50 CCAA CN1CCC2(CC1)CCN(C(=O)[C@H]1CNCCOC1)C2 1857693578 CMIKNKLKZFWVIA-ZDUSSCGKSA-N 281.400 0.167 0 50 CCAA Cc1cccnc1CC(=O)N(CCO)Cc1ncc[nH]1 1704336862 JPXGWNNVUWNGCL-UHFFFAOYSA-N 274.324 0.677 0 50 CCAA CCn1ccnc1[C@H]1OCC[C@@H]1NS(C)(=O)=O 408025214 AEZHGUBZMHFWLP-IUCAKERBSA-N 259.331 0.282 0 50 CCAA O=C(NCCCO)C(=O)NCc1ccc(Cl)cc1 2892481 AKEPPWZHJQTUNR-UHFFFAOYSA-N 270.716 0.455 0 50 CCAA CN(C(=O)[C@@H]1C[C@@H]1C1CC1)[C@H]1CCN(S(C)(=O)=O)C1 329333924 XEYAWDOYSVEFLJ-QJPTWQEYSA-N 286.397 0.525 0 50 CCAA CCc1noc(CC)c1CC(=O)NCC(=O)OC 133725207 ODFUQLWIGYGKDP-UHFFFAOYSA-N 254.286 0.631 0 50 CCAA Cc1cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)N)C2)c(C)o1 252585632 JZOXVOLPDPCBLZ-GXSJLCMTSA-N 288.369 0.633 0 50 CCAA O=C(CN1CCc2ccccc2C1)N1C[C@H]2C[C@H](O)[C@H]2C1 1772706639 WQDCBUPAULHEEQ-PMPSAXMXSA-N 286.375 0.884 0 50 CCAA COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(N)=O)cc1 71739 UVPFNVXYRWMZKS-LLVKDONJSA-N 289.291 0.586 0 50 CCAA COC1(C(=O)O)CCN(S(=O)(=O)c2ccoc2)CC1 819099891 JFMJNJNWJIHDPC-UHFFFAOYSA-N 289.309 0.534 0 50 CCAA CN1CCN(C(=O)c2ccncc2)C[C@@H]1c1ncc[nH]1 583623054 PIXCCJCDNBCNPL-GFCCVEGCSA-N 271.324 0.934 0 50 CCAA O=C(O)[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1NC(=O)[C@H]1C[C@@H](O)C1 910004860 SSQUQRKSAYXULR-YLZYEPSMSA-N 253.298 0.373 0 50 CCAA CS(=O)(=O)C1(C(=O)N[C@@H]2C[C@H]2c2ccco2)CC1 1275774973 PMMDXMZTIPSBJF-RKDXNWHRSA-N 269.322 0.829 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@]1(C)CCn2c(C)nnc21 1875333189 HIZMVVGSNIULGU-IHVVCDCBSA-N 278.312 0.093 0 50 CCAA CC(C)(C)c1noc(=O)n1CC(=O)NC[C@@H]1CCCO1 1875391616 JNPMOFWYNVNJSR-VIFPVBQESA-N 283.328 0.429 0 50 CCAA O=C(N=c1[nH]ncs1)NC[C@@H]1C[C@H]2CC[C@@H]1O2 1875332976 SXRBCRGNWCBMPP-RNJXMRFFSA-N 254.315 0.649 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(C(F)F)n(C)n1 889182098 ROFNBDJVGYENQY-PSASIEDQSA-N 289.282 0.891 0 50 CCAA CC(C)(C)c1nnc(NC(=O)c2cc(C(N)=O)[nH]n2)s1 1775989276 JKVBVOXPDHXXSQ-UHFFFAOYSA-N 294.340 0.910 0 50 CCAA Cc1c[nH]nc1C(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2 1775960879 SFSXAPCEAWKZCQ-GHMZBOCLSA-N 288.273 0.990 0 50 CCAA C=CC(=O)N[C@H]1CCS(=O)(=O)C2(CCOCC2)C1 1776003435 PFBIMZUJMHTZKD-JTQLQIEISA-N 273.354 0.415 0 50 CCAA CCc1ccc(OCC(=O)N2C[C@@H](O)C[C@H]2CO)cc1 185904302 WYCIEYJGYVOKMN-STQMWFEESA-N 279.336 0.582 0 50 CCAA NC[C@H]1CCCN1c1ccc2nnc(C3CC3)n2n1 905683806 WRLXKHFNDZDFSL-SNVBAGLBSA-N 258.329 0.929 0 50 CCAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21 53777 KNENWQSSZCOMFI-UHFFFAOYSA-N 298.320 0.152 0 50 CCAA O=C(Nc1n[nH]c(Cc2ccccc2)n1)c1ncc[nH]c1=O 2356151052 OOBHLVWDDJKYFN-UHFFFAOYSA-N 296.290 0.731 0 50 CCAA CC(C)c1nc(O)ccc1C(=O)N1C[C@@H]2CC(=O)N[C@@H]2C1 2356153748 SWIYTEBFMUHWBU-GXSJLCMTSA-N 289.335 0.871 0 50 CCAA CC(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20037728 GJLLXQTZISHOJY-NSHDSACASA-N 291.417 0.277 0 50 CCAA CN(CC(=O)NCc1ccccc1)S(C)(=O)=O 22606409 WPQWEWRRQONEAJ-UHFFFAOYSA-N 256.327 0.194 0 50 CCAA O=C(c1ccc(N2CCOCC2)cc1)N1C[C@@H]2C[C@H]1CN2 20542022 KLHCMHALUCMJLH-ZFWWWQNUSA-N 287.363 0.710 0 50 CCAA CCC(=O)N[C@H](C)C(=O)N1Cc2cnc(CC)nc2C1 67654228 PEKXUZKDRDUDPP-SECBINFHSA-N 276.340 0.796 0 50 CCAA Cc1nccn1[C@H](C)C(=O)N[C@H]1CC(=O)N(C)C1 32580870 DENOICSLETVTPQ-SCZZXKLOSA-N 250.302 0.099 0 50 CCAA CN(C(=O)C1CCOCC1)[C@H]1CC(C)(C)OC1=O 328592282 GQZJZZIDLWEZKR-JTQLQIEISA-N 255.314 0.966 0 50 CCAA COc1cncc(S(=O)(=O)N2C[C@@H]3CN(C)C[C@@H]3C2)c1 282477316 DZJDXPPTJDEVDT-PHIMTYICSA-N 297.380 0.272 0 50 CCAA NC(=O)[C@@H]1COCCN1C(=O)Cc1coc2ccccc12 367595291 MXPCUVNSFLQJBT-LBPRGKRZSA-N 288.303 0.688 0 50 CCAA CN(C)C(=O)CN1CC[C@]2(CCCO2)CCC1=O 72165495 YCRGBVKGGVFEED-ZDUSSCGKSA-N 254.330 0.636 0 50 CCAA O[C@]1(CN2CCCC2)CCCN(Cc2ncc[nH]2)C1 77485442 HZXUXGUOWYPMBZ-AWEZNQCLSA-N 264.373 0.832 0 50 CCAA Cc1coc(C)c1C(=O)N1CC[C@](O)(c2c[nH]nn2)C1 284510586 FBIYPYBZCYQGSG-CYBMUJFWSA-N 276.296 0.748 0 50 CCAA COC[C@@H]1CN(c2nccn3cnnc23)CC(C)(C)O1 285191668 WCQILVJGZICPMH-JTQLQIEISA-N 277.328 0.755 0 50 CCAA O=C(Cc1ccc(O)c(Cl)c1)NCCn1cncn1 223723067 CAKFVGIKOJPKCX-UHFFFAOYSA-N 280.715 0.996 0 50 CCAA COc1cc(CN2C[C@@H](C(=O)O)CC2=O)ccc1O 49856402 KCHWRFGQCJJLQK-VIFPVBQESA-N 265.265 0.834 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)CCO1 178280763 QXWPYUCISRYLJS-GXFZAYBSSA-N 280.255 0.546 0 50 CCAA COc1ccc(F)cc1C(=O)N1CCOC[C@H]1CO 222315092 DYLLWJJJMSHTAW-SNVBAGLBSA-N 269.272 0.668 0 50 CCAA Cc1nc(CC(=O)NCCN2CCCC[C@H]2CO)cs1 96138076 HZNSQHXWYHRXAT-ZDUSSCGKSA-N 297.424 0.957 0 50 CCAA C[C@@]1(O)CCN(C(=O)C2(Cn3cccn3)CC2)C[C@@H]1O 97546541 BUJBPSADTDYPOA-WCQYABFASA-N 279.340 0.008 0 50 CCAA C[C@@H](Cc1cnccn1)N(C)CC(=O)N1CCOCC1 244874181 WWCFLDPVHJLRBT-LBPRGKRZSA-N 278.356 0.198 0 50 CCAA N=c1nc(N2CCC3(CC2)OCc2ccccc23)[nH]c(=N)[nH]1 624036382 JKWGPGPYYYUQSB-UHFFFAOYSA-N 298.350 0.723 0 50 CCAA NC(=O)[C@H]1CCCN1C(=O)CCc1cccc2c1OCO2 183950131 YQOHCPXNBBWNIB-LLVKDONJSA-N 290.319 0.824 0 50 CCAA O=C(NCC1CCN(c2ncccn2)CC1)[C@H]1CCOC1 368977366 FVLNROHUYULCFI-ZDUSSCGKSA-N 290.367 0.846 0 50 CCAA CC1(C(=O)N2CCN([C@H]3CN4CCC3CC4)CC2)COC1 584902716 RPLZVEJRPQWWFU-AWEZNQCLSA-N 293.411 0.261 0 50 CCAA CCN1CC[C@@H](CN(C)C(=O)Cc2cc(O)nnc2O)C1 584891440 XBYLGYBJNFVZOE-JTQLQIEISA-N 294.355 0.231 0 50 CCAA O=C(Nc1nncs1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 239439006 ZHVIVBKDPMXKCM-GBNDHIKLSA-N 269.282 0.355 0 50 CCAA CN(C)C(=O)CN1CCCN(CC2(C)CCOCC2)CC1 952986707 FEJSVWGOMZRZBE-UHFFFAOYSA-N 297.443 0.899 0 50 CCAA Cc1csc(S(=O)(=O)N[C@H]2CCNC[C@@H]2O)c1 1565507949 DLKXSVABIYHYQF-IUCAKERBSA-N 276.383 0.058 0 50 CCAA C[C@H](CC(=O)O)NC(=O)c1cnn(CC2CC2)c1 630131465 HTOAYSGJHRHBMA-MRVPVSSYSA-N 251.286 0.886 0 50 CCAA CCn1ncc2ncn(Cc3snnc3C)c(=O)c21 631019013 GTVGSEXVULFFNP-UHFFFAOYSA-N 276.325 0.821 0 50 CCAA Cc1c[nH]ccc1=NC(=O)N[C@@H]1CCS(=O)(=O)C1 408063444 QLHCMWSSORJUNF-SECBINFHSA-N 269.326 0.121 0 50 CCAA COC[C@@H]1CN(C(=O)C2CC(C)(O)C2)C[C@@H](C)O1 408455944 FTASAMFCVYPUIM-JJOYANBFSA-N 257.330 0.410 0 50 CCAA COC(=O)[C@H](C)N(Cc1ncnn1C)C1CCC1 190091770 QPKNNAJGZBEHOU-VIFPVBQESA-N 252.318 0.731 0 50 CCAA O=C(COC[C@H]1CCCO1)NC1(C(F)F)OCCO1 585126013 LEIDUMLZRHSFII-MRVPVSSYSA-N 281.255 0.264 0 50 CCAA CN1CCc2cc(C(=O)N3CCCNC(=O)C3)ccc21 778669522 YARIPIRSOOBGMI-UHFFFAOYSA-N 273.336 0.641 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)c1ccc2ncccc2c1 212730092 XCSMZYNYQCYSLK-ZIAGYGMSSA-N 271.320 0.951 0 50 CCAA CCc1cc(CC(=O)N2C[C@@H]3CC[C@]3(N)C2)n(C)n1 1615547820 VKWQQTPBLFIFRC-HZMBPMFUSA-N 262.357 0.475 0 50 CCAA CNC(=O)CCC(C)(C)NS(=O)(=O)N1CCCCC1 1506421142 XYWHTSPCQHCLAE-UHFFFAOYSA-N 291.417 0.612 0 50 CCAA O=C(O)c1cccc(CCNC(=O)[C@H]2COCCO2)c1 111403716 BKBYYWXYSNMVKK-GFCCVEGCSA-N 279.292 0.459 0 50 CCAA CCCn1cnc(C(N)=O)c1NC(=O)[C@H]1CCCN(C)C1 1529145450 JSHFHQZYLTVTGT-JTQLQIEISA-N 293.371 0.672 0 50 CCAA O=C1C[C@@H](NS(=O)(=O)CC2CC2)CN1C1CC1 330128007 DJKFMTSOZJINCY-SECBINFHSA-N 258.343 0.079 0 50 CCAA COC(=O)C1(NC(=O)OC(C)(C)C)CCNCC1 12648793 XWBFIPVPQLAHMA-UHFFFAOYSA-N 258.318 0.806 0 50 CCAA in-vitro CCc1noc(CC)c1CC(=O)N1CC[C@H](N)C1 152286656 WEPNJZWHGCHACB-VIFPVBQESA-N 251.330 0.902 0 50 CCAA CNC(=O)CCCC(=O)N1CCO[C@@H](C2CC2)C1 376397941 KZELEVXWHJGTOO-LLVKDONJSA-N 254.330 0.540 0 50 CCAA O=C1OCC[C@@H]1N1CCCC[C@H]1Cn1cncn1 247831148 KXYLUQWUDOSGHZ-QWRGUYRKSA-N 250.302 0.448 0 50 CCAA CN(CCC(=O)N(C)C)C[C@@H]1CCC(=O)N(C)C1 1775979017 RWCZUFHSMORPSG-NSHDSACASA-N 255.362 0.265 0 50 CCAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N1CCCCO1 11816201 AHXGYCHMKWISCX-CYBMUJFWSA-N 297.399 0.777 0 50 CCAA O=C(NCCc1cnn[nH]1)c1cn2ccsc2n1 1857683454 GVZUFLOBSDIKIR-UHFFFAOYSA-N 262.298 0.486 0 50 CCAA Cc1ccncc1C(=O)N1CCOC2(CCNCC2)C1 1857691322 GLEWYZOGCHKRQP-UHFFFAOYSA-N 275.352 0.985 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1cccc(-n2cncn2)c1 238085567 GDWGXOUDTSYVBY-GFCCVEGCSA-N 286.291 0.957 0 50 CCAA CCN(Cc1cnn(CCF)c1)[C@H]1CCNC1=O 930325376 NUNRSBIZDHFNAZ-NSHDSACASA-N 254.309 0.563 0 50 CCAA NC(=O)[C@](O)(CN1CCOCC2(CC2)C1)c1ccccc1 851920100 UQQNPTGHXSICAQ-INIZCTEOSA-N 290.363 0.472 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC[C@@H](OCC(C)C)C1 860038970 CDZDFYXIEQUIBX-GFCCVEGCSA-N 268.357 0.904 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)[C@@H](O)c1ccccc1 129424498 OSIWWWGJFRWLMR-YPMHNXCESA-N 279.292 0.422 0 50 CCAA O=C(N=c1[nH]nc(C2CC2)s1)N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12 1875304911 YZZXSQBJHZYMRD-XKNYDFJKSA-N 294.380 0.976 0 50 CCAA Cc1conc1C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 888095534 PILJUPLJRIBMFW-KWBADKCTSA-N 293.323 0.539 0 50 CCAA C[C@@H]1CN(c2ncnc3c2CCC3)C[C@H]1CS(N)(=O)=O 896896572 LFKQBHPEYHQQCD-ZJUUUORDSA-N 296.396 0.326 0 50 CCAA C=CC(=O)N[C@@H](CN1CCCS1(=O)=O)C1CC1 1775998655 HJQUNVCOJXXLIU-JTQLQIEISA-N 258.343 0.103 0 50 CCAA COC[C@H]1C(=O)N[C@H](c2ccnc(OC)c2F)N1C 899378310 PMKDIGMHNLJJHR-WPRPVWTQSA-N 269.276 0.305 0 50 CCAA C[C@H]1CN(Cc2cn(-c3ccnn3C)nn2)C[C@@H](C)O1 899718063 ICSMCUQARDPMTL-PHIMTYICSA-N 276.344 0.610 0 50 CCAA Cc1noc(C)c1CC(=O)N1CC[C@H]2CNC[C@H]2C1 261658598 YWQUVEDUHFWSHT-RYUDHWBXSA-N 263.341 0.902 0 50 CCAA CCC(CC)(CN)C(=O)N1CCN(C(=O)N(C)C)CC1 165275799 LLBFPTWYRNVZPE-UHFFFAOYSA-N 284.404 0.577 0 50 CCAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@](O)(CO)C1 313643040 JVKWMVLZVCNISA-GFCCVEGCSA-N 289.328 0.252 0 50 CCAA C[C@H]1CCCCN1C(=O)Cn1cc(S(C)(=O)=O)cn1 901600790 IOVKBZURFKBHSZ-JTQLQIEISA-N 285.369 0.688 0 50 CCAA COc1ccc(-c2nc(N3CCOCC3)n[nH]2)cn1 2100544870 MJSUEUHVTRAIDT-UHFFFAOYSA-N 261.285 0.712 0 50 CCAA CNC1(C(N)=O)CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 2325802146 LLGOCTFVPKJJKD-GHMZBOCLSA-N 267.373 0.489 0 50 CCAA CC[C@H](C)C(=O)C(=O)N[C@@H](C)C(=O)NCC(C)C 2325811320 OWENBYJMQHGSMS-UWVGGRQHSA-N 256.346 0.879 0 50 CCAA CCOc1ccc(NC(=O)C(=O)NCCN(C)C)cc1 2284459 CFQCMGYSAJZAJV-UHFFFAOYSA-N 279.340 0.702 0 50 CCAA COc1cc(NC(=S)NCCO)cc(OC)c1 2782656 CRSASVJLWGYPSN-UHFFFAOYSA-N 256.327 0.983 0 50 CCAA O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 2958999 ZZIMLJHFZLQGRM-SNVBAGLBSA-N 292.291 0.649 0 50 CCAA O=C1CC[C@H](C(=O)N2CCC[C@H]2[C@@H]2CCCO2)N1 342519380 OVYUCKDWOXGXGN-VWYCJHECSA-N 252.314 0.435 0 50 CCAA C[C@@H]1C[C@@H]1NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 246009471 RGTYEXPRCKIEIP-HRDYMLBCSA-N 262.375 0.475 0 50 CCAA O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1ccon1 136903701 YWKQYDFOQDTHIG-LLVKDONJSA-N 279.340 0.905 0 50 CCAA C[C@@]1(C(=O)N[C@@H]2CCCCNC2=O)CCCCN1 136159230 RCZXFSVTJXNGRG-MFKMUULPSA-N 253.346 0.304 0 50 CCAA CN(C)CCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1 65364500 FPZJMMKSUFTLCX-UHFFFAOYSA-N 299.396 0.374 0 50 CCAA CC(C)c1cc(C(=O)NC[C@H]2CNCCO2)no1 423989900 JCZVJDWGRRUHAJ-SECBINFHSA-N 253.302 0.516 0 50 CCAA Cc1cnc(N2CC[C@@H](n3cc(C(=O)O)nn3)C2)nc1 519595802 AQNFIHQKVSKOBH-SECBINFHSA-N 274.284 0.526 0 50 CCAA O=C(C1[C@@H]2CCC[C@@H]12)N1CCC[C@](O)(Cn2ccnn2)C1 328931264 HUORTGWMMGOKTO-LALPHHSUSA-N 290.367 0.678 0 50 CCAA O=C(Nc1ccccc1)C(=O)N1CCC[C@@](F)(CO)C1 253420323 QAEFDPXVRFLFRU-AWEZNQCLSA-N 280.299 0.948 0 50 CCAA C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H](C2CC2)O1 330044982 HXIDKFDBXSFQDB-RTXFEEFZSA-N 289.397 0.995 0 50 CCAA CC(C)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)n[nH]1 236600555 SBZSIAXPXGFEBZ-SNVBAGLBSA-N 267.285 0.459 0 50 CCAA CN(C)CCCOC1CCN(C(=O)[C@H]2CCCN2)CC1 237102564 FZNBWMLJNQZIIE-CQSZACIVSA-N 283.416 0.698 0 50 CCAA C[C@H]1CN(C(=O)CCc2nc3cccnc3[nH]2)CCN1 237733766 FPLBSOZXIOBFCB-JTQLQIEISA-N 273.340 0.711 0 50 CCAA COCCN1CCC[C@@](O)(CNCc2ccncc2)C1=O 71278769 PTWJAFZKOIPEHW-OAHLLOKOSA-N 293.367 0.171 0 50 CCAA CCOC(=O)CCNC(=O)N1CCCn2cncc2C1 72143771 NLEYAKDNKKQFRH-UHFFFAOYSA-N 280.328 0.752 0 50 CCAA Cn1cccc1C(=O)NCCCc1nnc(N)s1 220290847 HJUCOBNETHNVQO-UHFFFAOYSA-N 265.342 0.821 0 50 CCAA Nc1nc2c(c(C(=O)N3CCCC[C@H](N)C3)n1)CCCC2 82134327 FBARWTYOHKCJQV-JTQLQIEISA-N 289.383 0.891 0 50 CCAA CSCC[C@H](NC(=O)C1(Cn2ccnc2)CC1)C(=O)O 426685247 FRZSVNWTDVFVQW-JTQLQIEISA-N 297.380 0.986 0 50 CCAA c1cnc(N2CCC(NCCCn3cncn3)CC2)nc1 95521715 WDBSTCLSMZQRHK-UHFFFAOYSA-N 287.371 0.717 0 50 CCAA CNC[C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 237291614 RNGCSZNATFOLTQ-QWHCGFSZSA-N 253.390 0.929 0 50 CCAA O=C(CCCc1cn[nH]c1)NCC[C@@H]1CCCN1 97757824 SHZCYEBJKYNIOR-LBPRGKRZSA-N 250.346 0.991 0 50 CCAA CCn1nc(C)c(NC(=O)CN2CCOC[C@H]2CO)c1C 240163598 JCFBABBMTCSNNP-GFCCVEGCSA-N 296.371 0.151 0 50 CCAA CCCn1ccnc1CNC(=O)CN1CC[C@@H](N(C)C)C1 244715850 LDPOVCSFMNBLGR-CYBMUJFWSA-N 293.415 0.545 0 50 CCAA CNC(=O)Cn1cc(NC(=O)c2ccn(C(C)C)n2)cn1 353536770 NWJJBRRMEAMRBE-UHFFFAOYSA-N 290.327 0.659 0 50 CCAA CC(C)(C)c1noc(CNC(=O)CCCn2cnnn2)n1 534576237 SPCHXKHTJROHKT-UHFFFAOYSA-N 293.331 0.450 0 50 CCAA O=C(Cn1nc2ccccc2n1)NC[C@H]1CCOC1 534656713 PLXXMXDADUBZHS-SNVBAGLBSA-N 260.297 0.584 0 50 CCAA COc1ccc(C)c(NC(=O)N[C@@H]2CNCC[C@H]2O)c1 299784107 FSBQBOZCOPENDB-CHWSQXEVSA-N 279.340 0.848 0 50 CCAA CN1CCN(CC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1=O 299778389 PNIJYKSDSDFUGU-NSHDSACASA-N 291.355 0.483 0 50 CCAA CO[C@H]1CN(CC(C)(C)N2CCCCC2)C[C@@H]1O 824504906 XASQTZHSRXXACD-STQMWFEESA-N 256.390 0.942 0 50 CCAA CCN1CCN(C(C)(C)CNC(=O)C[C@H]2CCOC2)CC1 823112789 FIQWTLWYWCBHEL-CQSZACIVSA-N 297.443 0.945 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N[C@@H](C)c1ncnn1C 584888434 SZMOELIPNMFVHJ-VIFPVBQESA-N 262.317 0.575 0 50 CCAA COCCn1cnnc1CN[C@H](C)Cn1ccnc1C 584898155 INKZIXABXCIQFR-LLVKDONJSA-N 278.360 0.608 0 50 CCAA CN(C)C(=O)[C@@H]1CN(CC(C)(C)CN2CCCC2)CCO1 670448995 QPGBYHNXMUZUEG-AWEZNQCLSA-N 297.443 0.897 0 50 CCAA CCCn1nccc1C(=O)N1CCOC[C@H](CN(C)C)C1 670455898 YEGGYVUTXLATMT-CYBMUJFWSA-N 294.399 0.943 0 50 CCAA CC(C)C(=O)N1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 670457203 IWMSUDPEEJVBTD-SECBINFHSA-N 265.317 0.182 0 50 CCAA CCN1CCN(CC(=O)N2C[C@H](C)[C@@](O)(C3CC3)C2)CC1 1565511420 SPKDPDYWHWOLHZ-XJKSGUPXSA-N 295.427 0.243 0 50 CCAA CCC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1NC(C)=O 1565526723 ZYLAYXYXTOILIZ-JQWIXIFHSA-N 292.339 0.147 0 50 CCAA Cn1c(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cccc1=O 270348064 VRZTTZAZZBCZHN-ZFWWWQNUSA-N 284.315 0.773 0 50 CCAA CC[C@@H]1CN(S(=O)(=O)CC2CC2)CCN1C[C@@H](C)O 408428127 BGQPKQQNWOSIOD-DGCLKSJQSA-N 290.429 0.503 0 50 CCAA CC(C)(C)CCN1CCN([C@@H]2CCC(=O)NC2=O)CC1 170596441 DFAYBLFELLCPQW-GFCCVEGCSA-N 281.400 0.845 0 50 CCAA C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)CCc1nn[nH]n1 633033397 RXGGIRPICZBDFB-WDEREUQCSA-N 278.360 0.218 0 50 CCAA C[C@H]1C[C@@H](N)CN1C(=O)c1cn(Cc2cccs2)nn1 638938363 ZAHIADJRFXEPSJ-VHSXEESVSA-N 291.380 0.950 0 50 CCAA CN(C)C[C@]1(O)CCCN(C[C@@H]2CCc3ncnn32)C1 639761977 IYIAZCMKBUEVMT-GXTWGEPZSA-N 279.388 0.154 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2nccn2C)C1 643754852 HCQGRSARLMKHTJ-AWEZNQCLSA-N 280.372 0.225 0 50 CCAA CC1(NC(=O)CN2CCCC[C@@H](O)C2=O)CCOCC1 644409344 YRLRJSMHWAENOD-LLVKDONJSA-N 284.356 0.045 0 50 CCAA O=C(N[C@@H]1CCCNC1=O)c1cc(O)nc(C2CC2)n1 646781746 JRUKWCHCOHQMIG-MRVPVSSYSA-N 276.296 0.068 0 50 CCAA CS(=O)(=O)CCC(=O)N[C@@H](CO)Cc1ccccc1 63217572 QQAVEECCXUSYCW-GFCCVEGCSA-N 285.365 0.141 0 50 CCAA CC(=O)N[C@@H](C(=O)NCc1ncc(C)[nH]1)C(C)C 215473760 UAQNLYAPYIXAQF-LLVKDONJSA-N 252.318 0.495 0 50 CCAA C[C@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@@H](C)N1CCO 408520561 LOLWZXQYUXGSTG-FRRDWIJNSA-N 270.373 0.327 0 50 CCAA C[C@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)Cc1ccon1 424388520 HFQWVFXYIFPLAK-DTWKUNHWSA-N 288.325 0.690 0 50 CCAA CN1CCC[C@H](N2CCC(CCC(N)=O)CC2)C1=O 539813043 SALSDOGXVPWOEW-LBPRGKRZSA-N 267.373 0.585 0 50 CCAA CC(C)NC(=O)[C@@H](C)Oc1ccc(S(N)(=O)=O)cc1 6704557 SEZDRPBXFNSPHD-SECBINFHSA-N 286.353 0.626 0 50 CCAA COc1cc(F)ccc1CN1C[C@@H]2[C@@H](C1)C2(CO)CO 1772807509 OHXWLUFBCBXNMC-CHWSQXEVSA-N 281.327 0.867 0 50 CCAA OCC1(CO)[C@H]2CN(c3ncc(Cl)cn3)C[C@H]21 1772707499 OKZABLNJYWEWTF-DTORHVGOSA-N 255.705 0.167 0 50 CCAA CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccnc1 13125285 KCARESMITSUMEV-LLVKDONJSA-N 286.295 0.920 0 50 CCAA Cc1nc(-c2nccn2[C@H]2CN[C@H](CO)C2)n(C)c1C 1857717305 QLNXVMVQUJVYFW-NWDGAFQWSA-N 275.356 0.796 0 50 CCAA Cc1cc(C[C@@H]2CN(c3nc(C)nn3C)C[C@@H]2O)on1 1875250294 MYDDGLYDAWZUEH-PWSUYJOCSA-N 277.328 0.460 0 50 CCAA Cc1cc(N2CCC[C@@](O)(C(N)=O)C2)nc(C2CC2)n1 225475900 SPOLWKPLNNZMIA-AWEZNQCLSA-N 276.340 0.479 0 50 CCAA Cn1ccc(S(=O)(=O)Nc2cccc(CC(=O)O)c2)n1 438760002 UHGKCTAWOHYGOS-UHFFFAOYSA-N 295.320 0.848 0 50 CCAA NC(=O)[C@](O)(CN1CCOC2(CCC2)C1)c1ccccc1 851884643 TYSMPVBBPCYIOS-INIZCTEOSA-N 290.363 0.614 0 50 CCAA C=CC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 863971472 UTUKIEKGJDYQRM-JTQLQIEISA-N 262.313 0.051 0 50 CCAA NCCNCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 1875293021 ZXJAQJARBHPOJN-GJZGRUSLSA-N 288.395 0.020 0 50 CCAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1Nc1cncc2ncnn12 1875398299 KVOIDZIMLRPOTB-QJPTWQEYSA-N 299.338 0.572 0 50 CCAA C=CC(=O)NCCC(=O)N1CC[C@@H](C(=O)OCC)C1 884744072 VFRPUZDIXBIILQ-SNVBAGLBSA-N 268.313 0.090 0 50 CCAA C[C@@H](CN(C)C(=O)c1ccc2nncn2c1)C(=O)O 237415500 KRNCHKZXCODSGB-QMMMGPOBSA-N 262.269 0.522 0 50 CCAA CCc1cnc(CC(=O)N2CCC(=O)N3CCC[C@@H]32)[nH]1 888161325 JEIYACFGPYWRNC-LBPRGKRZSA-N 276.340 0.695 0 50 CCAA CN(C[C@H]1CCS(=O)(=O)C1)C[C@](C)(O)C(F)(F)F 407952850 ANWNZZGZABNXHX-BDAKNGLRSA-N 289.319 0.666 0 50 CCAA COCC[C@@]1(C(=O)Nc2ncccc2O)CCNC1 372127299 AJFJUAUBOOFPCP-ZDUSSCGKSA-N 265.313 0.742 0 50 CCAA COc1cccc(C(=O)N2C[C@@H](O)[C@H](F)C2)c1F 952964394 CZMPHXMCRASATE-RKDXNWHRSA-N 257.236 0.989 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)c1sc(C)nc1C 1614715757 NXEXKUZPDHFPJV-RKDXNWHRSA-N 255.343 0.477 0 50 CCAA CCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 1428448 AYQWBRRQVKCLBZ-UHFFFAOYSA-N 298.364 0.969 0 50 CCAA CC(C)(C)OC[C@@H](O)CN[C@@]1(CC(=O)O)CCCOC1 2325790424 KIMSABYMAXBIOJ-SMDDNHRTSA-N 289.372 0.776 0 50 CCAA O=C(NC[C@H](O)c1cccc(O)n1)c1ccc2ncnn2c1 2356142863 KZECYCPQORNASU-NSHDSACASA-N 299.290 0.293 0 50 CCAA O=C(c1c[nH]c(=O)cn1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356156218 XIXNISUXAUBZOS-OAHLLOKOSA-N 299.334 0.613 0 50 CCAA COCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 4504448 HCEUOJQAAOLJTN-UHFFFAOYSA-N 286.309 0.056 0 50 CCAA C[C@H](NC(N)=O)C(=O)N1CCCCC[C@@H]1c1ncon1 346591704 MFNZZJBGJXVFIG-DTWKUNHWSA-N 281.316 0.570 0 50 CCAA CCCn1nccc1C(=O)N1CC[C@H](O)C[C@@H]1C(=O)OC 65383917 BYGOCMZIHUQJNQ-CMPLNLGQSA-N 295.339 0.432 0 50 CCAA O=C([C@H](O)CCc1ccccc1)N1C[C@H](F)C[C@@H]1CO 348792588 BKHTXSYSJQRDPU-MGPQQGTHSA-N 281.327 0.911 0 50 CCAA CC[C@@H](C)OCC(=O)N1CCC[C@H](S(N)(=O)=O)C1 330399784 IUJZLTUCMAUNTE-ZJUUUORDSA-N 278.374 0.081 0 50 CCAA CC(C)[C@@H]1CN(C(=O)CCn2cncn2)CCO1 330728900 HASFRQBVSBEITH-NSHDSACASA-N 252.318 0.552 0 50 CCAA COc1cc(C(=O)N2CCC[C@](O)(C(N)=O)C2)ccc1F 313872091 LTTIDPNCAWCRHA-CQSZACIVSA-N 296.298 0.287 0 50 CCAA C[C@@H](CCc1ccco1)NC(=O)Cn1ccc(=O)[nH]c1=O 144373384 XLOYVUYKEBIXIY-JTQLQIEISA-N 291.307 0.267 0 50 CCAA CN(Cc1[nH]c(=O)[nH]c1C(=O)O)C[C@H]1CCCCO1 215605780 FWKXOVVWQVBGJT-MRVPVSSYSA-N 269.301 0.402 0 50 CCAA COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1N 34886087 CAUYGLGWHNNDAD-UHFFFAOYSA-N 285.369 0.214 0 50 CCAA CC(=O)N(C[C@@H]1CCCN1Cc1cnn(C)n1)C1CC1 367700174 BJVMKIZYTXOJMH-AWEZNQCLSA-N 277.372 0.790 0 50 CCAA CN1C(=O)[C@@]2(CCCN(CC(N)=O)C2)c2ccccc21 72128838 RFPWCQNKUBCFMX-OAHLLOKOSA-N 273.336 0.482 0 50 CCAA NCc1noc(C(=O)N2CCc3ccccc3C2)n1 34924896 PHMLZDLAZKOQFM-UHFFFAOYSA-N 258.281 0.727 0 50 CCAA CC(C)O[C@H]1C[C@@H](NC(=O)N=c2nc[nH]n2C)C1 459460440 HYFZJZNIOJWNJE-DTORHVGOSA-N 253.306 0.315 0 50 CCAA COC[C@H](NC(=O)c1coc(Br)c1)C(=O)O 262249776 CFYFWDWJXOORIE-LURJTMIESA-N 292.085 0.872 0 50 CCAA CCc1nn(C)c(CC)c1CN1C[C@H](F)C[C@H]1C(N)=O 284677093 OYHUSSDYDBIFBT-RNCFNFMXSA-N 282.363 0.943 0 50 CCAA CC(C)c1ccc(C(=O)N[C@@H]2COCC[C@H]2O)c(=O)[nH]1 223304629 ZVZRMXJXEYPTMU-VXGBXAGGSA-N 280.324 0.378 0 50 CCAA O=C(CCc1nnc[nH]1)N[C@@H]1COc2ccccc2C1 177155361 GIWOVCPGJCJKTD-NSHDSACASA-N 272.308 0.857 0 50 CCAA CC(C)C(=O)N1CCn2nc(CN[C@@H]3CCOC3)cc2C1 426382899 JVCBQRQBIDPGFL-GFCCVEGCSA-N 292.383 0.760 0 50 CCAA CCc1noc(CSc2nnc(CNC)n2C)n1 426431805 KDVYYOJZSGKNKX-UHFFFAOYSA-N 268.346 0.772 0 50 CCAA O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@H]1COCCO1 80939819 VOHOLASRWPIJHI-GFCCVEGCSA-N 293.298 0.776 0 50 CCAA NC(=O)C1CCN(c2cc([C@H]3CCOC3)ncn2)CC1 426376264 BRXAITWKAQSUSI-NSHDSACASA-N 276.340 0.682 0 50 CCAA O=C(NCc1ccco1)N1CCN(c2nc[nH]n2)CC1 426478013 NPGUBKNATCGQKC-UHFFFAOYSA-N 276.300 0.430 0 50 CCAA Cc1nc(O)nc(O)c1NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 333959404 JYYOSGYCGJHNFG-RNJXMRFFSA-N 277.280 0.750 0 50 CCAA CC(C)N1C[C@H](C(=O)NCCc2cnn[nH]2)CCC1=O 426712797 STGACOUBOINWJL-SNVBAGLBSA-N 279.344 0.110 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 91808676 YMXIHRSTJRZQPQ-GFCCVEGCSA-N 268.317 0.056 0 50 CCAA CCOCC1(C(=O)N2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)CC1 622165891 VZXSDYZNHXQZNC-CMPLNLGQSA-N 294.355 0.562 0 50 CCAA CNC(=O)Cn1cc(NC(=O)CCc2ccncc2)cn1 341872561 PYGKIOHKGFHZAU-UHFFFAOYSA-N 287.323 0.595 0 50 CCAA NC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCN2)cc1 534669319 FLGAOFGSFLFDMU-SNVBAGLBSA-N 298.368 0.208 0 50 CCAA Cn1ncnc1-n1cc(I)cn1 261494544 DKYYGJVHJBWNCQ-UHFFFAOYSA-N 275.053 0.605 0 50 CCAA Cn1nc(C(=O)O)c2c1CCN([C@@H]1CCSC1)C2 534651108 WOPFHSMYOMDYIQ-MRVPVSSYSA-N 267.354 0.982 0 50 CCAA CC(C)S(=O)(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 828248168 QCEHJCHMBVKROM-JTQLQIEISA-N 276.402 0.961 0 50 CCAA CN(C[C@H]1CCCN(CCO)C1)C(=O)CN1CCCC1 584898265 QKEZQTXWDVRPKX-CQSZACIVSA-N 283.416 0.245 0 50 CCAA COCCN1CC[C@H](C(=O)NCC2(CO)CCC2)C1 584885865 HBBGROOJRNAXCF-LBPRGKRZSA-N 270.373 0.234 0 50 CCAA Cc1nonc1CNC(=O)[C@@H]1CN(C)c2ccccc2O1 584897096 CYUDCUCTGZMLJB-ZDUSSCGKSA-N 288.307 0.892 0 50 CCAA CC[C@@]1(O)CCCN(C(=O)CNC(=O)C(C)C)C1 584886656 YNCVFFYXVGOJOJ-CYBMUJFWSA-N 256.346 0.522 0 50 CCAA Cc1ncn(CCNC(=O)CCCn2cnnn2)c1C 670465576 UTCHUPGVIQEILC-UHFFFAOYSA-N 277.332 0.083 0 50 CCAA CN1CC2(CCN(Cc3cc[nH]n3)CC2)OCC1=O 670454428 KMZXBOXGODXVKO-UHFFFAOYSA-N 264.329 0.233 0 50 CCAA CC[C@@H](C(=O)NC1(C(N)=O)CCCC1)N(C)CC 952974787 JXFNACLEFHQLQH-JTQLQIEISA-N 255.362 0.631 0 50 CCAA CC(=O)[C@H](NC(=O)CN1C[C@@H](C)OC[C@@H]1C)C(C)C 221910671 MYJXYRXCZFWPPR-MISXGVKJSA-N 270.373 0.825 0 50 CCAA C[C@@H]1CC[C@@H](C(=O)N[C@@]2(C(=O)O)CCSC2)O1 222254005 MPEFANFUTBKISW-FYBVGQRMSA-N 259.327 0.630 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)CCN1 188401444 PWAPPSXEGFXQSX-LLVKDONJSA-N 271.324 0.701 0 50 CCAA Cn1cc(Cl)c(C(=O)N2CCNC[C@](C)(F)C2)n1 638255156 YEZJNCYNWFQZTK-NSHDSACASA-N 274.727 0.847 0 50 CCAA O=C(NC1CN(C(=O)c2cc(C3CC3)on2)C1)C1CC1 189431708 CCECGVIWKAXQPO-UHFFFAOYSA-N 275.308 0.903 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2CCC(=O)N2)c2c(C)noc2n1 585113826 WMZUJMBLWYFJQM-VIFPVBQESA-N 288.307 0.848 0 50 CCAA COC(=O)c1ccc(C(=O)OCc2nc(O)n[nH]2)cc1 774874618 XTTUMIFKNPXJDU-UHFFFAOYSA-N 277.236 0.654 0 50 CCAA C[C@@H]1CN(C[C@H](O)CC2(O)CCOCC2)C[C@H]1N(C)C 630044772 YWTPLAWMLVAOTR-MGPQQGTHSA-N 286.416 0.161 0 50 CCAA CNC(=O)NC1CN(C(=O)CC(C)(C)C2CC2)C1 571270840 IFOYBYRNCSNUQU-UHFFFAOYSA-N 253.346 0.953 0 50 CCAA Cc1nc(N2CC[C@@]3(CNC(=O)CO3)C2)nc2c1CCC2 1772809703 CUFPUOOTWNYXOY-OAHLLOKOSA-N 288.351 0.369 0 50 CCAA O=C(CN1C[C@H]2[C@H](C1)C2(CO)CO)NCC1CCCCC1 1772807835 CCQWIESSVWJRML-KBPBESRZSA-N 296.411 0.216 0 50 CCAA O=C(COc1ccccc1)NCCN1CCNCC1 19680781 YAGBUEGHMZUAMB-UHFFFAOYSA-N 263.341 0.087 0 50 CCAA CCn1nc(C)c(CNC(=O)[C@H]2C[C@H]3C[C@@H](N)[C@H]3C2)n1 1857527902 CFBKBZNVTFTRNF-FIQHERPVSA-N 277.372 0.596 0 50 CCAA CN(Cc1ccccn1)C(=O)[C@H]1CC[C@H](N)[C@@H](O)C1 1857710318 QOBNJPGZEYKQDI-DRZSPHRISA-N 263.341 0.528 0 50 CCAA O=C(c1cncc(O)c1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857717360 MJCJQADHCQLHPM-JIMOISOXSA-N 278.308 0.399 0 50 CCAA O=C(NCCCc1ncc[nH]1)[C@H]1CCc2ncnn2C1 1857717382 NGEVCFQLNPBSPU-JTQLQIEISA-N 274.328 0.313 0 50 CCAA Cc1nnc(CCNC(=O)[C@H]2CCc3ncnn3C2)s1 1857725761 LORJENSGAXTDSJ-VIFPVBQESA-N 292.368 0.359 0 50 CCAA CCn1cnnc1CCNC(=O)[C@H]1CCn2nccc2C1 1857729521 ORYKSDUSDZAYOX-NSHDSACASA-N 288.355 0.416 0 50 CCAA CCC(=O)N1CCCN(c2ccc3nnc(C)n3n2)CC1 614308986 ARZHJEKHCSSIMC-UHFFFAOYSA-N 288.355 0.881 0 50 CCAA O=C(NCc1ccccc1F)N[C@H]1CCOC[C@@H]1O 629469520 NXPAOVSEZABTFR-RYUDHWBXSA-N 268.288 0.775 0 50 CCAA C[C@]1(F)CNCCN(C(=O)c2c[nH]nc2[C@H]2CCNC2)C1 662566284 CVVQXZHEYKOZEI-HZMBPMFUSA-N 295.362 0.260 0 50 CCAA CO[C@H]1Cc2ccccc2N(CC(=O)N2CCNC2=O)C1 374360045 OGKDSVINWRTYAI-LBPRGKRZSA-N 289.335 0.616 0 50 CCAA CC(CO)(CO)CNC(=O)Nc1ccc(F)cn1 585086457 GQRJPFKLMQYGMS-UHFFFAOYSA-N 257.265 0.333 0 50 CCAA C[C@H]1OC(=O)N[C@@H]1C(=O)N=c1[nH][nH]c2cc(F)ccc12 496766865 NQOWPSSSBDWLBB-ANLVUFKYSA-N 278.243 0.559 0 50 CCAA O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CC(OC(F)F)C1 935532649 NESCFPQXHAZPRP-KGDYZURWSA-N 259.252 0.860 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 1875259392 GAOTXWUBCXYQPK-PWSUYJOCSA-N 294.307 0.465 0 50 CCAA O=C(Cc1cncnc1)N[C@@H]1C[C@H]2C[C@@H](C(=O)O)C[C@H]21 1875306111 TZKOQCWDOSVSJS-DDHJBXDOSA-N 275.308 0.635 0 50 CCAA CCc1n[nH]cc1NC(=O)[C@@H](O)c1cn(C)nc1C 1875329489 ZBFOHBPWRZIXQW-NSHDSACASA-N 263.301 0.686 0 50 CCAA CC(=O)N[C@H]1CCCN(C(=O)/C=C/CN2CCCC2)C1 1875338054 MTWYGRITVIOSFV-DYLGSBMWSA-N 279.384 0.766 0 50 CCAA O[C@@H](Cn1cnc(-c2ccccc2)n1)C1(O)CCOCC1 899877343 IFMCMNHJOPJZEO-ZDUSSCGKSA-N 289.335 0.848 0 50 CCAA N[C@@H]1CCC[C@H](C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)C1 372122042 SHTLJMBMVLNLMG-REWJHTLYSA-N 282.384 0.910 0 50 CCAA CN1CCN(C(=O)c2cccn2C2CC2)C[C@H]1CO 687598842 GWDBJJNPXZZKEW-LBPRGKRZSA-N 263.341 0.572 0 50 CCAA CC(C)C1=NO[C@@H](C(=O)N2[C@@H](CO)C[C@H]3OCC[C@H]32)C1 2325785384 VDQDSONJTBDYTE-OJAKKHQRSA-N 282.340 0.538 0 50 CCAA Cc1ccc(C(=O)N[C@@H]2CCOCC[C@H]2C(=O)O)[nH]1 2325792431 ARFKEUXKAWMCLG-NXEZZACHSA-N 266.297 0.933 0 50 CCAA C[C@H]1C[C@@H](CN)CN1Cc1cc(=O)n2ccsc2n1 131478221 SMZAKMZVSKSCKE-UWVGGRQHSA-N 278.381 0.925 0 50 CCAA CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 368028 ZWLMJQXTLIZYRX-UHFFFAOYSA-N 299.334 0.524 0 50 CCAA CC(C)(CNC(=O)[C@H]1CCCO1)CNC(=O)[C@H]1CCCO1 2767692 ULYMEAMYCCCEAM-VXGBXAGGSA-N 298.383 0.603 0 50 CCAA CC[C@@H](C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 4687335 LSHZIEDSGYWSJW-ZJUUUORDSA-N 262.375 0.573 0 50 CCAA O=S1(=O)CC[C@@H](NC(=S)Nc2ccccn2)C1 4754820 RAUXYLYEJVPKFR-MRVPVSSYSA-N 271.367 0.555 0 50 CCAA COCCN(Cc1ccc(C)cc1)C[C@H](O)CO 55342098 VLKKNGJSHZWGSP-AWEZNQCLSA-N 253.342 0.797 0 50 CCAA COC(=O)C(C(=O)OC)=C(/C=C/N(C)C)N(C)C 55502067 VTECJPJZTJVMDV-BQYQJAHWSA-N 256.302 0.223 0 50 CCAA Cc1nc(N2C[C@H](CO)OC[C@H]2C)ncc1C(=O)O 228342395 SBSQCEKGHYBPDQ-VXNVDRBHSA-N 267.285 0.069 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cc2n(n1)CCNC2 67458159 ATKNWFOOPSFTEC-MRVPVSSYSA-N 288.355 0.817 0 50 CCAA CC(C)(C)OC(=O)CCNCCN1CCOCC1 22588558 MSKSKQOHLYPUBX-UHFFFAOYSA-N 258.362 0.640 0 50 CCAA Cc1ncccc1OC1(C(=O)N2CC(N)C2)CCNCC1 65508732 DOWAMNLGSIXYHL-UHFFFAOYSA-N 290.367 0.061 0 50 CCAA C[C@H]1CCCCN1C(=O)CSCc1nnn(C)n1 329313746 APCFGXKXQKPURW-VIFPVBQESA-N 269.374 0.844 0 50 CCAA CN(C(=O)c1cn(C)c(=O)[nH]c1=O)C1CCSCC1 219956611 MFDGUBWOLKFSOW-UHFFFAOYSA-N 283.353 0.041 0 50 CCAA CC(C)N1CC[C@@H](N2C(=O)[C@@H]3CCCN3C2=O)C1=O 253393906 FXFSXODRCGTIHK-VHSXEESVSA-N 265.313 0.422 0 50 CCAA Cc1cc(CC(=O)N[C@H]2CCc3n[nH]cc3C2)no1 332187933 TYCVJPUPIBWUEC-JTQLQIEISA-N 260.297 0.922 0 50 CCAA O=C(CCc1cc(Cl)no1)N1CCOC[C@@H](CO)C1 77459959 KQCQWZLUNHIWFL-SECBINFHSA-N 288.731 0.728 0 50 CCAA CC(C)(F)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1 236773205 CAUCBCSJZVILQU-VXGBXAGGSA-N 299.390 0.841 0 50 CCAA Brc1cnn(Cc2nnc3n2CCOC3)c1 333274118 OCZSBRFLVNYXOX-UHFFFAOYSA-N 284.117 0.816 0 50 CCAA Nc1nnc(CCNC(=O)CCc2cccnc2)s1 219941102 FCDFBHMRWXYTGA-UHFFFAOYSA-N 277.353 0.807 0 50 CCAA Cc1nonc1CN(C)C(=O)c1nnc(CN(C)C)o1 71750670 UWGKVSBJLYSPLR-UHFFFAOYSA-N 280.288 0.095 0 50 CCAA O=S(=O)(N[C@@H]1C=C[C@H](CO)C1)c1cn2c(n1)CCCC2 371638904 VSPFOBNWZIMJAG-WDEREUQCSA-N 297.380 0.435 0 50 CCAA O=C(Cn1cnc2sccc2c1=O)Nc1cnccn1 341850955 YAYXMYYVTGNENT-UHFFFAOYSA-N 287.304 0.887 0 50 CCAA O=C(CCN1CCOC[C@H](CO)C1)NCc1ccco1 77487577 VKMNUTXLIHZQLK-LBPRGKRZSA-N 282.340 0.227 0 50 CCAA Cn1nc([C@H]2CCCN2CCn2cccn2)nc1N 284396963 WDCIDUFFBLOSJS-SNVBAGLBSA-N 261.333 0.431 0 50 CCAA CC(=O)N1CCC[C@](O)(C(=O)N2CCc3ccccc32)C1 286179678 ZUXWDHZFYABUNM-MRXNPFEDSA-N 288.347 0.949 0 50 CCAA C[C@H](Cn1cncn1)C(=O)NCCCc1csc(N)n1 223800375 ZQTGJKIWYQEJNH-SECBINFHSA-N 294.384 0.702 0 50 CCAA CCN1CCC[C@](C)(C(=O)NCCn2ccnn2)C1 426563527 TUZBMUSYIFEWTH-ZDUSSCGKSA-N 265.361 0.516 0 50 CCAA CC(C)n1cc(C(=O)O)c(=O)c(C(=O)NC(C)(C)CO)c1 426497311 USQMUDHLOHCAJA-UHFFFAOYSA-N 296.323 0.628 0 50 CCAA C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H](C(=O)O)C1 178257036 NZEZOTJSYNSMFB-ZJUUUORDSA-N 264.281 0.782 0 50 CCAA O=C(NC1(C(=O)O)CC1)c1cnc(-c2ccccn2)nc1 426477871 HFANEZDAJUVCOE-UHFFFAOYSA-N 284.275 0.886 0 50 CCAA C/C=C/CC(=O)N[C@@H]1COCC[C@@H]1OCC(=O)O 220560333 ZJCDLVFFAWCDKQ-NBYFHADBSA-N 257.286 0.328 0 50 CCAA COc1cc(C(=O)O)cc(C(=O)NCCn2cncn2)c1 426477931 BRWYCLFOXNQRDD-UHFFFAOYSA-N 290.279 0.415 0 50 CCAA O=C(NCCOCCO)c1cc(-c2ccc(O)cc2)n[nH]1 95379634 PANFNVXFASNUOS-UHFFFAOYSA-N 291.307 0.521 0 50 CCAA CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 238158138 JWFGCDQXXPBXRH-VHSXEESVSA-N 259.302 0.777 0 50 CCAA N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 237858128 XKEYODNAERMRHV-RBSFLKMASA-N 295.427 0.827 0 50 CCAA CCc1ncc(C(=O)NCCCN2CCC[C@@H](O)C2)cn1 95392267 WGAQTDBXKKZNGM-CYBMUJFWSA-N 292.383 0.616 0 50 CCAA CSc1ncc(CN2CCN(C)[C@H](C(=O)O)C2)cn1 244840332 ULCZJIIJYDVABW-JTQLQIEISA-N 282.369 0.399 0 50 CCAA CCCn1cc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cn1 182944385 KNMARWVEGUYRFZ-LLVKDONJSA-N 290.323 0.313 0 50 CCAA CC(=O)OC1(OC(C)=O)[C@@H]2[C@@H]3C(=O)[C@H]4[C@@H]5C[C@@H]([C@@H]2[C@H]53)[C@H]41 254384014 ITQKYDIBXXYCQW-IUWSWUGZSA-N 276.288 0.766 0 50 CCAA CCCCc1ncc(CN2CCN(CC(=O)O)C(=O)C2)[nH]1 534659730 ACUCXMKRTWTQLF-UHFFFAOYSA-N 294.355 0.481 0 50 CCAA CC(C)CC1(NC(=O)[C@@H]2CCC(=O)NC(=O)N2)CC1 534652280 OJNYJSKJRAPEBY-VIFPVBQESA-N 267.329 0.670 0 50 CCAA Cc1ccc(CS(=O)(=O)NCC(=O)O)c(F)c1 263561096 RNXQMQWEIYRVDZ-UHFFFAOYSA-N 261.274 0.638 0 50 CCAA COCCN1CC[C@H](C(=O)NCC2(N(C)C)CCCC2)C1 534574577 ZNWHJZLHXOYSLC-AWEZNQCLSA-N 297.443 0.945 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)NCC1(CO)CCC1 828685843 GUCSNBSMMZCGGH-JTQLQIEISA-N 252.318 0.193 0 50 CCAA Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H](O)C2 828636248 NXRVUNLGIJHXMV-NSHDSACASA-N 286.335 0.595 0 50 CCAA CN1CCO[C@@H](Cn2cnc3cccnc3c2=O)C1 584899330 JOLGUWYWEYXWKD-SNVBAGLBSA-N 260.297 0.122 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)N(C)CC1(C)COC1 584893998 IFBMBCVNBFIDRE-NSHDSACASA-N 288.413 0.739 0 50 CCAA O=C(C1CCC1)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 584892082 KVWGFCCEPDTCNG-CYBMUJFWSA-N 280.368 0.884 0 50 CCAA COCCN1C[C@@H](CNC(=O)CCC(F)(F)F)CC1=O 670451375 NVSMQSYHNSGYMM-SECBINFHSA-N 296.289 0.940 0 50 CCAA Cc1cncc(CCNC(=O)N2C[C@@H](N)C3(CCC3)C2)n1 1553506319 HZHPKSPRCRIBCP-CYBMUJFWSA-N 289.383 0.850 0 50 CCAA Cn1cncc1-c1cnc(N2CCC[C@H](O)C2)nc1 629761013 QRZAYXGURFMKDW-NSHDSACASA-N 259.313 0.838 0 50 CCAA Cc1nccn1CCCC(=O)N[C@H]1COCC[C@@H]1O 1565514358 TZSQJGGIUXKIAD-RYUDHWBXSA-N 267.329 0.238 0 50 CCAA O=C(N[C@H]1CNC[C@@H]1O)c1cccc(-c2cn[nH]c2)c1 1565507909 XJGXJDHOKLIDOV-STQMWFEESA-N 272.308 0.139 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)c2c(C)noc2C)C1 630249645 OFBRIBZSEZOFNN-GFCCVEGCSA-N 268.269 0.607 0 50 CCAA C[C@@H]1CN(CC(=O)NC2CCCC2)C[C@H]1C(N)=O 408046074 APLRHYWYQONOQD-MWLCHTKSSA-N 253.346 0.098 0 50 CCAA CCN(CC)CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 190054419 BORYRORGMWGBPH-GXTWGEPZSA-N 280.372 0.708 0 50 CCAA Cn1cc(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)nn1 653329003 PYCLFQROOZPOQO-QWRGUYRKSA-N 286.291 0.858 0 50 CCAA CC(=O)N1CC[C@](C)(C(=O)N2CC(OC(F)F)C2)C1 576217704 XQPIBAAEIIUFOZ-LBPRGKRZSA-N 276.283 0.695 0 50 CCAA NC[C@@H]1CCCCN1C(=O)COCC(F)(F)F 226232746 GXFIQCVEVMGJGN-QMMMGPOBSA-N 254.252 0.905 0 50 CCAA CC(C)[C@H](C(=O)N[C@@H](C)C(=O)O)N1CCCC1=O 236805436 CTINMNUBYBMJDP-WCBMZHEXSA-N 256.302 0.223 0 50 CCAA CC[C@H]1C(=O)NCCN1Cc1c(C)nnn1CC 333620180 YHPUTFQGSZJDKB-JTQLQIEISA-N 251.334 0.317 0 50 CCAA Cc1cccc(N2CCC[C@H](NS(C)(=O)=O)C2)n1 131443528 OYRGRDRIEWHOAQ-NSHDSACASA-N 269.370 0.908 0 50 CCAA CC1(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 1875259292 JJNWISWBPVBTCC-UHFFFAOYSA-N 279.325 0.493 0 50 CCAA CC[C@]1(C)C[C@@H]1C(=O)N(CCN(C)C)CC(=O)O 153278344 KMZLDCHBFQYAPG-ZWNOBZJWSA-N 256.346 0.897 0 50 CCAA CCN(CC(=O)O)C1CC(NC(=O)c2cc[nH]n2)C1 584758015 SMICILVEGRFLCO-UHFFFAOYSA-N 266.301 0.077 0 50 CCAA CC1(C)CC(N2C[C@H]3CNC[C@]3(CO)C2)CC(C)(C)N1 1772812685 OKFHBGZOLLTKPY-MLGOLLRUSA-N 281.444 0.809 0 50 CCAA CN1CCN(C(=S)NC(=O)c2ccco2)CC1 19537094 FIUYFDWEBSADFE-UHFFFAOYSA-N 253.327 0.542 0 50 CCAA O=C(NCc1nnc2n1CCC2)[C@H]1CCn2nccc2C1 1857709109 GCGWQMSVLUHYFF-JTQLQIEISA-N 286.339 0.300 0 50 CCAA Cc1ccncc1CN1CCO[C@@H](Cn2ccnn2)C1 639859684 XOWZBJSTOQMJCK-CQSZACIVSA-N 273.340 0.883 0 50 CCAA O=C1CN(C(=O)CN2CC[C@H](O)C2)c2ccccc2N1 114470241 LQPBDISTQIFOAV-JTQLQIEISA-N 275.308 0.038 0 50 CCAA CC[C@H](NC)C(=O)NS(=O)(=O)c1cncc(Cl)c1 901031584 GKVKLMINIWYRGO-VIFPVBQESA-N 291.760 0.538 0 50 CCAA Cc1nc(O)c2c(n1)CN(CCCN1CCCC1=O)C2 931317781 HKKWOJGFNHLXOW-UHFFFAOYSA-N 276.340 0.819 0 50 CCAA OC[C@H]1CN(Cc2c[nH]nc2C(F)(F)F)CC[C@H]1O 1141011764 NUYRXKKSSWJXRR-RKDXNWHRSA-N 279.262 0.604 0 50 CCAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccc3nncn3c2)C1 237659386 AIUAFMKGQPLPGH-CYBMUJFWSA-N 274.280 0.666 0 50 CCAA Cc1nnsc1Cn1c(=O)ccn(C2CC2)c1=O 1875281030 MAXHRPPLBGVESV-UHFFFAOYSA-N 264.310 0.553 0 50 CCAA OCc1nc(SC[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n[nH]1 1875291928 QHGUKRLNZKITCI-HMXNZXLOSA-N 253.327 0.813 0 50 CCAA COC[C@H]1NC(=O)CCN(C[C@H]2Cc3ccccc32)C1=O 1875310110 DOOHOSSBZGWGII-TZMCWYRMSA-N 288.347 0.690 0 50 CCAA CC[C@@H](O)CN1CCN(C(=O)[C@]2(C)CCCNC2)CC1 888096419 UTLSGZHYRWTZIA-UKRRQHHQSA-N 283.416 0.291 0 50 CCAA C=CC(=O)N[C@H](C(=O)N1CCOCC1)c1ccccc1 888102411 WUEPCQZIWIAIGZ-AWEZNQCLSA-N 274.320 0.889 0 50 CCAA NC1(CNC(=O)[C@]23CNC[C@H]2CCOC3)CCCCCC1 1775961126 APHIOOJDVOQDLF-CJNGLKHVSA-N 295.427 0.780 0 50 CCAA C=CC(=O)N1CCC[C@@H](N2C[C@H](C)CS2(=O)=O)C1 1776006661 YXBOGMYZHDDZLZ-WDEREUQCSA-N 272.370 0.445 0 50 CCAA O=C(O)CN(Cc1ccccc1)C(=O)[C@@H]1COCCO1 262125064 GVYKPSHSALNKMS-LBPRGKRZSA-N 279.292 0.515 0 50 CCAA CCS(=O)(=O)[C@H](C)C(=O)N=c1[nH][nH]c2c(F)cccc12 2100544898 AMYQPOWQGDNCAT-SSDOTTSWSA-N 299.327 0.886 0 50 CCAA CCN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H](OC)CN1 583618992 QKMNBVVTLMUIRV-RYUDHWBXSA-N 266.345 0.146 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@]2(CCNCC(=O)N2)C1 2325712107 LQOKJKLLHCEDSL-AWEZNQCLSA-N 283.372 0.866 0 50 CCAA O=C(CSc1ncnc2[nH]cnc12)NC[C@H]1CCCO1 33506 QCRPPQJGYVXDPC-MRVPVSSYSA-N 293.352 0.740 0 50 CCAA CCOC(=O)C1=C(C)O[C@@]2(O)c3ccccc3C(=O)[C@@]12O 187378 UGGKRXKFQMVAEG-GJZGRUSLSA-N 290.271 0.626 0 50 CCAA CN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1 201637 XKZDSAVFHPKHNV-GHMZBOCLSA-N 254.330 0.651 0 50 CCAA O=C1OC[C@H]2CN(C(=O)Cn3nc4ccccc4n3)C[C@@H]12 2356147283 PNFGZJRKTAZBTK-NXEZZACHSA-N 286.291 0.063 0 50 CCAA O=C(CCc1ccc(O)nn1)N[C@@H]1CCC[C@@H](CO)C1 2356161922 PYIOKJKYIRJKDP-ZYHUDNBSSA-N 279.340 0.782 0 50 CCAA Cc1cc2c(N3CCO[C@@H](Cn4cncn4)C3)nccn2n1 330046265 IOXPKXJCANLXDF-GFCCVEGCSA-N 299.338 0.535 0 50 CCAA NC(=O)c1cncc(-n2ccc(-c3cnccn3)n2)c1 65503112 XKJURZSJIOIYQF-UHFFFAOYSA-N 266.264 0.823 0 50 CCAA NC(=O)c1nn[nH]c1NC(=O)c1cc(Cl)ccn1 362415069 AOHDEHNDKBPBNB-UHFFFAOYSA-N 266.648 0.204 0 50 CCAA CCC[C@@H](CC)S(=O)(=O)CC(=O)N1CCOCC1 359176389 WMMKFWVZUFFBGB-LLVKDONJSA-N 277.386 0.839 0 50 CCAA O=C(O)CN1CCCn2nc([C@H](O)C3CC3)cc2C1 219370731 ACKDLSWWFAWDGN-CYBMUJFWSA-N 265.313 0.617 0 50 CCAA Cc1cc(N)n(CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)n1 77407785 OSSMGNIGFXAQES-LLVKDONJSA-N 288.355 0.903 0 50 CCAA CCOc1cncc(N2CCO[C@@H](c3nc(C)n[nH]3)C2)n1 131888759 OVMNMUWLKIOWBK-SNVBAGLBSA-N 290.327 0.880 0 50 CCAA CCN1C[C@@H](C(=O)N2CCC3(CCOC3=O)CC2)CC1=O 371154067 DBPWUDRKPUGEJG-NSHDSACASA-N 294.351 0.411 0 50 CCAA O=C1CC[C@@H](NC(=O)[C@H]2CCc3ccccc3O2)C(=O)N1 334057958 WRWXLBWQAGPNQN-ZYHUDNBSSA-N 288.303 0.302 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2COCCN2)C[C@@H](c2ccccc2)O1 237620161 XYZSLQQODBUIKZ-YUELXQCFSA-N 290.363 0.963 0 50 CCAA C[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)C[C@H]1C(N)=O 284534471 HCNDTFVMIFMNGQ-ZYHUDNBSSA-N 299.334 0.461 0 50 CCAA O[C@@]1(c2c[nH]nn2)CCN(CCc2ccccn2)C1 284794551 LUUFGNRKDQHAQV-ZDUSSCGKSA-N 259.313 0.336 0 50 CCAA COc1ccc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)c(OC)c1 286658328 CZRURRPLSOMTJI-KCJUWKMLSA-N 296.298 0.742 0 50 CCAA O=C(Cn1ccnn1)NC[C@@H]1CCCN(C(=O)C2CC2)C1 426529477 UJYWBHHHLAKZOF-NSHDSACASA-N 291.355 0.043 0 50 CCAA C1CN(CCNC2CSCCSC2)CCN1 426503939 DMSAPTVVMZLEHL-UHFFFAOYSA-N 261.460 0.330 0 50 CCAA O=C([C@H]1CCCN1C(=O)c1ccccc1)N1CC(O)C1 177990574 QYZWBPJFZAKMTN-CYBMUJFWSA-N 274.320 0.494 0 50 CCAA Cc1nnc(-c2cccc(C(=O)N3CC(O)C3)c2)o1 531972591 YADAWKBAHQGBJY-UHFFFAOYSA-N 259.265 0.862 0 50 CCAA Cc1nc2ccccc2n(Cc2nncn2C)c1=O 95367188 IELUFTGIVPTXEB-UHFFFAOYSA-N 255.281 0.882 0 50 CCAA CC(C)OC[C@@H](O)Cn1nnc(-c2ccco2)n1 180107005 ADSPTJXZRAXUHO-VIFPVBQESA-N 252.274 0.719 0 50 CCAA CCc1nc(CCn2cc(-c3nccn3C)nn2)no1 91636832 NHGPTTLAHBIWMQ-UHFFFAOYSA-N 273.300 0.867 0 50 CCAA O=c1c2cccnc2ccn1Cc1nc2ncccn2n1 95372764 FVMDAIMTUNVJCZ-UHFFFAOYSA-N 278.275 0.883 0 50 CCAA Cn1cnn(CC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1=O 181901099 GFJJDHVOAKYHBE-NSHDSACASA-N 290.327 0.059 0 50 CCAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cn[nH]c1 253378464 GJLZDZVQIJNZON-LERXQTSPSA-N 286.335 0.917 0 50 CCAA Cc1ncc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)O)C2)n1C 629295078 HRISUJBBQLZHNF-DTWKUNHWSA-N 285.325 0.036 0 50 CCAA CCc1ccc(S(=O)(=O)NCCn2cncn2)s1 264659028 KKXUNNFMBPVYNH-UHFFFAOYSA-N 286.382 0.881 0 50 CCAA CN(CCn1ccnc1)c1cc([C@@H]2CCOC2)nc(N)n1 299789500 VYLFSKKSXJQHDO-LLVKDONJSA-N 288.355 0.896 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)CC2CCNCC2)C1 584891911 WLGJTUQURUMDIV-AWEZNQCLSA-N 283.416 0.413 0 50 CCAA CC[C@H](NC(=O)N(C)Cc1ncon1)C(=O)N(C)C 670448648 OYCBQJMSNAXHAF-QMMMGPOBSA-N 269.305 0.078 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CC1CCNCC1 584896835 AEQSKSBYXGDCHA-VXGBXAGGSA-N 265.357 0.312 0 50 CCAA CC(C)(C)N1C[C@H](CNC(=O)c2cnc(N)s2)CC1=O 584898627 QQWCUWULBUDRFO-QMMMGPOBSA-N 296.396 1.102 0 50 CCAA C[C@@H](NC(=O)CNC(=O)c1cccnc1)C(F)F 1548718474 QBLMEIZQWZUXQG-SSDOTTSWSA-N 257.240 0.581 0 50 CCAA C[C@H](CN(C)C[C@@H]1[C@H]2CNC[C@H]21)N1CCOCC1 952965037 RKXIDMMWBWOYSI-MQYQWHSLSA-N 253.390 0.104 0 50 CCAA Cc1cc(C)n(C2CN(C(=O)[C@H](C)Cn3cncn3)C2)n1 952963096 HQVDIHYSGDMHEI-SNVBAGLBSA-N 288.355 0.811 0 50 CCAA CCn1cnnc1CCNC(=O)CCc1cn[nH]c1 952987893 LZTGROFLBWTEMG-UHFFFAOYSA-N 262.317 0.313 0 50 CCAA Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@@H](O)C1 269753661 DDKKWVOCZGBNQF-SSDOTTSWSA-N 277.733 0.073 0 50 CCAA O=C(N[C@H]1CCC[C@H]1C(=O)O)c1cnn2cccnc12 630313484 IENJHOOGZQFZCR-SCZZXKLOSA-N 274.280 0.712 0 50 CCAA CO[C@H]1CCCN(c2nc(O)c3cnn(C)c3n2)C1 408032515 YCZYNEODBJAXFL-QMMMGPOBSA-N 263.301 0.684 0 50 CCAA Cn1ncc2cc(S(=O)(=O)NC[C@H]3CCCO3)cnc21 170600478 WIZYZTZVOMTAAJ-SNVBAGLBSA-N 296.352 0.426 0 50 CCAA O=C1CC[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C(=O)N1 305894155 PRKKJISPKXLKBB-RNFRBKRXSA-N 260.240 0.343 0 50 CCAA Cc1cc(CS(=O)(=O)N[C@@H]2C[C@H](O)C23CCC3)no1 657183550 CRNDOAVNZUNZEY-MNOVXSKESA-N 286.353 0.706 0 50 CCAA Cc1nc(=NC(=O)NC[C@H](C)CN2CCCCC2)[nH]n1C 582589294 QDCIAVXCDVHXCI-NSHDSACASA-N 294.403 0.789 0 50 CCAA CC[C@@H]1C(=O)NCCN1C[C@H](OC)[C@@H]1CCOC1 585094095 AIEKOZFESKQKLV-UTUOFQBUSA-N 256.346 0.248 0 50 CCAA CCCCCOCC(=O)N(CCO)CCOCCO 585123844 FTQQPTZWCQCPHG-UHFFFAOYSA-N 277.361 0.023 0 50 CCAA COC[C@@]1(C)NC(=O)N(c2cnc(C)s2)C1=O 900254799 CAKXZDNMPSVZKC-SNVBAGLBSA-N 255.299 0.913 0 50 CCAA CCN1CCC(CN[C@H]2CCc3ncnn3C2)CC1 1616039070 VXWWSBZYAJDFNV-ZDUSSCGKSA-N 263.389 0.914 0 50 CCAA CO[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@H]1O 1654457997 LMTIKLPRAGOSCM-GHMZBOCLSA-N 266.345 0.196 0 50 CCAA O=C(CC[C@H]1CCNC1)N1CCc2c(O)ncnc2C1 1875330304 WRRJNFNFRZUANK-JTQLQIEISA-N 276.340 0.457 0 50 CCAA CN(C)C[C@@H]1COCCN(c2cc(C(N)=O)ccn2)C1 1506417908 MGYXOLRRYLMDRO-NSHDSACASA-N 278.356 0.195 0 50 CCAA CNC(=O)c1cccnc1N1CC[C@@H](C(=O)NC)C1 1704338474 BWDXCWLAKVOFFA-SECBINFHSA-N 262.313 0.014 0 50 CCAA O=C(C1CCC1)N1C[C@H](O)[C@@H](NCc2ccccn2)C1 216942745 DCPOGTQBIFHLAS-KBPBESRZSA-N 275.352 0.543 0 50 CCAA O=S(=O)(N[C@H]1CCNC[C@@H]1O)c1ccccc1Cl 710380396 KSTLOTNWZIIUOS-UWVGGRQHSA-N 290.772 0.341 0 50 CCAA Cc1ccc(F)c(C(=O)N[C@H]2CCNC[C@@H]2O)c1F 222402382 SAJVUOGPXFQWKO-UWVGGRQHSA-N 270.279 0.726 0 50 CCAA O=S(=O)(NC1CCN(CC2CC2)CC1)N1CCCC1 328880880 KWDJFVCJAVTMSO-UHFFFAOYSA-N 287.429 0.791 0 50 CCAA Cc1ccc(C(=O)N2CC[C@@](F)(C(=O)O)C2)n1C 125021415 SEGLZZXZTGDLBS-LBPRGKRZSA-N 254.261 0.972 0 50 CCAA O=C(C[C@@H]1CC1(F)F)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772703972 JHVPVSWYGXZLMT-HLTSFMKQSA-N 261.268 0.091 0 50 CCAA CC1(C)N=C(N)N=C(N)N1c1cccc(C(=O)O)c1 17039556 RAMOOOOPHVOJPO-UHFFFAOYSA-N 261.285 0.570 0 50 CCAA COc1cnc(C)cc1-c1nc([C@@H](C)O)nn1CC(=O)O 1857734343 ISORYTQSURZRGC-MRVPVSSYSA-N 292.295 0.795 0 50 CCAA CC(C)c1cc(NC(=O)N2CCO[C@@H](C(N)=O)C2)no1 266386649 LYQYICBTGVYSKO-SECBINFHSA-N 282.300 0.516 0 50 CCAA Cc1cnc(NS(=O)(=O)[C@H](C)C(=O)N(C)C)cn1 903655361 BCUZYMKUFYGGRH-MRVPVSSYSA-N 272.330 0.003 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)N1CCCNCC1 911656849 WRDFQCIGVGBYPX-INIZCTEOSA-N 289.379 0.617 0 50 CCAA C[C@H](C(=O)NC1CCNCC1)N1Cc2ccccc2C1=O 911629418 UVSKCKOUJQNMBP-LLVKDONJSA-N 287.363 0.899 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)O[C@@H]2COC[C@H]21 1857779226 IUZQDJIWGFRUJE-IWSPIJDZSA-N 273.285 0.474 0 50 CCAA Cc1cc2n(n1)CCN(C(=O)c1ccc(O)cn1)C2 1875286343 QRFOFYFYICKCLG-UHFFFAOYSA-N 258.281 0.948 0 50 CCAA N[C@@H](CC(=O)N1CCC([C@@H]2CCCNC2)CC1)C(=O)O 1875287439 KNFZNTLJPVLSAH-NEPJUHHUSA-N 283.372 0.027 0 50 CCAA O=C(N1CCC(c2nnc(O)o2)CC1)C12CC(CO1)C2 1875284298 PUUHZFJTXMXHTC-UHFFFAOYSA-N 279.296 0.660 0 50 CCAA CS(=O)(=O)NC(=O)[C@H]1C[C@H]1Cc1ccccc1 1875391077 HXXJTMALMKOQPD-MNOVXSKESA-N 253.323 0.941 0 50 CCAA C[C@H]1CN(C(=O)CCNC(=O)/C=C/CN(C)C)C[C@@H](C)O1 1875374739 ZSHRAGTYUDIGLR-JARXHUJSSA-N 297.399 0.246 0 50 CCAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1cn[nH]c1 1875402546 IXXCYRXFALIXNT-MVWJERBFSA-N 275.312 0.176 0 50 CCAA Cc1ccnc(N2CCC[C@@](O)(Cc3nncn3C)C2)n1 886065679 PAMVWAPTOPRCJI-CQSZACIVSA-N 288.355 0.488 0 50 CCAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1CC1(OC)CCC1 888102790 MMWFLZVDHFBZCW-LLVKDONJSA-N 293.371 0.086 0 50 CCAA O[C@@H](CN1CCOCC1)CN1CCC2(CCOCC2)C1 363573431 RRVGPLQMGJSYHN-AWEZNQCLSA-N 284.400 0.182 0 50 CCAA Cn1nccc1NC(=O)[C@H](CN)C1CCOCC1 864728339 LKHXMPLMFFMDPJ-SNVBAGLBSA-N 252.318 0.360 0 50 CCAA CC(C)C[C@H](CNC(=O)Cn1cnnc1O)CC(=O)O 2325756648 BCJNRMXPMBUUGA-VIFPVBQESA-N 284.316 0.237 0 50 CCAA C[C@H]1CO[C@H](CN(C)C(=O)N=c2nc3n([nH]2)CCCC3)C1 2325790176 WCGNKOFTZJCXTB-MNOVXSKESA-N 293.371 0.925 0 50 CCAA CO[C@H](C(=O)NC[C@@H]1CNC(=O)C(C)(C)C1)C1CC1 2325800672 AVTXDLKXBYUSEL-KOLCDFICSA-N 268.357 0.690 0 50 CCAA CN(CC(=O)N(C)[C@@H](CCO)C(F)F)C1CCNCC1 2325839360 QRMGRCHXPJLBCS-NSHDSACASA-N 293.358 0.145 0 50 CCAA CCOC(=O)c1nc(N)c(=O)n(-c2ccc(C)cc2)n1 210099 SMARVRHXKDJPOJ-UHFFFAOYSA-N 274.280 0.695 0 50 CCAA Cn1cnc2c[nH]c(=NCCN3CCCC[C@@H]3CO)nc21 2356156904 WFPOAGVOULLWRB-LLVKDONJSA-N 290.371 0.044 0 50 CCAA CC[C@H](C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 4687336 LSHZIEDSGYWSJW-UWVGGRQHSA-N 262.375 0.573 0 50 CCAA C[C@H](Cn1cncn1)NS(=O)(=O)c1ccccc1 8714445 YSKRMSKLOVLPON-SNVBAGLBSA-N 266.326 0.645 0 50 CCAA Nc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)n[nH]1 55165726 QLZVPFOWBPNRMB-UHFFFAOYSA-N 299.334 0.590 0 50 CCAA C[C@H](C(=O)O)N1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 101748544 WKFBUPBTMUZFDS-MHSYXAOVSA-N 257.673 0.977 0 50 CCAA O=c1c2ccccc2nnn1CCCN1CCOCC1 20677768 RZBONKJFLUFSQX-UHFFFAOYSA-N 274.324 0.514 0 50 CCAA CN(c1cccc(C(=O)N2CCOCC2)c1)S(C)(=O)=O 65363781 OWXMMGWJIIFTPP-UHFFFAOYSA-N 298.364 0.555 0 50 CCAA Cc1nc(CNS(=O)(=O)c2cn(C)cn2)sc1C 331257515 CWXHVDAILGJONK-UHFFFAOYSA-N 286.382 0.972 0 50 CCAA COC(=O)CC[C@@H]1CCCCN1C(=O)CS(C)(=O)=O 67841895 LNWWYJDOAOXLIM-JTQLQIEISA-N 291.369 0.365 0 50 CCAA CC1=CC(=O)N(CC(=O)N2CCOCC23CCC3)C1=O 252498414 RBOMDLGBRZHTBD-UHFFFAOYSA-N 278.308 0.083 0 50 CCAA C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CC[C@H]1N 429128291 MTZRLSUGBNFEBB-MWLCHTKSSA-N 289.335 0.827 0 50 CCAA Cn1c(=O)c(C(=O)N2CC(O)C2)cc2ccccc21 216104132 UVAQIKNNUDNOCS-UHFFFAOYSA-N 258.277 0.355 0 50 CCAA C[C@@H]1CCN[C@H](C(=O)NCC(=O)N2CCCC2)C1 127640159 ZERQQIDYZQCLCP-MNOVXSKESA-N 253.346 0.113 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 331736045 AZRPZMWIPCZFMK-ZRUFSTJUSA-N 277.386 0.691 0 50 CCAA COC1(CC(=O)N2CCO[C@H](CC(=O)O)C2)CCC1 234580404 XQQIZDKXLCPHKF-SNVBAGLBSA-N 271.313 0.648 0 50 CCAA O=C(O)c1ccccc1CN1CC(N2CCOCC2)C1 215076573 BEVFJWRXCPWQFV-UHFFFAOYSA-N 276.336 0.901 0 50 CCAA C[C@H](CCC(=O)NCCc1cn[nH]c1)N1CCN(C)CC1 219094886 QZWUHVUNYFMHCF-CYBMUJFWSA-N 293.415 0.485 0 50 CCAA Cc1cnc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)cn1 670443477 CJUNDXNLOCBIOF-KBPBESRZSA-N 262.357 0.426 0 50 CCAA CC[C@@H](C)N(CC(=O)O)C(=O)[C@@H]1CN(CC)CCO1 237045137 IRRINZGPPFKYSP-MNOVXSKESA-N 272.345 0.419 0 50 CCAA c1cn([C@@H]2CCCN(c3ccc4nncn4n3)C2)nn1 333527315 XMENHAINVSZLQS-SNVBAGLBSA-N 270.300 0.557 0 50 CCAA O=C(NC[C@H]1CNCCCO1)N1CCN(CC2CC2)CC1 333833532 MYLUWFFEMOWKDM-CQSZACIVSA-N 296.415 0.102 0 50 CCAA O=C(O)CN(CC(=O)NC[C@H]1CCCO1)c1ccccc1 34926501 XWPPZCOBSONQEA-CYBMUJFWSA-N 292.335 0.873 0 50 CCAA CCCC[C@H](NC(=O)c1ccn(CC)c(=O)c1)C(N)=O 215369894 BFISHGXXKNDPAJ-NSHDSACASA-N 279.340 0.642 0 50 CCAA O[C@H]1COCCN(Cc2cnc(-c3ccccn3)nc2)C1 77519074 KIYRGOKXLFUSOR-CYBMUJFWSA-N 286.335 0.732 0 50 CCAA C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1C(=N)O 336481234 MLOBLWJDEYZXLO-NXEZZACHSA-N 267.329 0.629 0 50 CCAA C[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)C[C@@H](C(=O)O)O1 263317784 ZLSFUBWKMHKZAX-VWYCJHECSA-N 271.313 0.646 0 50 CCAA CN1CCC[C@@H](NC(=O)Nc2nc3n(n2)CCCC3)C1=O 529122289 XSLKFBHPTYNZON-SECBINFHSA-N 292.343 0.357 0 50 CCAA CCc1ccc(C(=O)N2CCN(CC(=O)NC)CC2)[nH]1 426380292 CXUQJLGAEIHZCR-UHFFFAOYSA-N 278.356 0.081 0 50 CCAA O=C1NCCCc2[nH]c(-c3nnc4ccccn34)nc21 95499932 UJUJFBQVDJCIOK-UHFFFAOYSA-N 268.280 0.795 0 50 CCAA Cc1nccn1CCN1CC2(CCNCC2)OC1=O 95526992 YCLMXXWPNHCXOV-UHFFFAOYSA-N 264.329 0.766 0 50 CCAA N[C@H]1CN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@@H]1C1CC1 91474837 YTCXKLTUMPFSPB-NEPJUHHUSA-N 288.351 0.457 0 50 CCAA CC[C@H](C(=O)NC)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 245391933 OBOVBPQQJZOOFN-PREPNJAASA-N 276.336 0.708 0 50 CCAA CN(CCc1cn[nH]c1)Cc1nnc([C@H]2C[C@H](N)C2)n1C 244741998 OAHORXOLEBUTRD-HAQNSBGRSA-N 289.387 0.417 0 50 CCAA O=C([C@H]1C=CCN1)N1CCN(Cc2ccc(F)cc2)CC1 534667866 MFMLMHCUTBOUBR-OAHLLOKOSA-N 289.354 0.998 0 50 CCAA O=C(NCCn1ccnn1)[C@@H]1CCCCN1C(=O)C1CC1 534635632 IKFDSROBIOXBRS-LBPRGKRZSA-N 291.355 0.185 0 50 CCAA CC[C@H]1C(=O)Nc2cc(-c3nn[nH]n3)ccc2C(=O)N1C 534631893 QRVDYPYNYHSBMP-JTQLQIEISA-N 286.295 0.669 0 50 CCAA Cc1cccc(N2CCC(NC(=O)[C@@H](N)[C@@H](C)O)CC2)c1 299765564 OGHVHPJBRUKWHW-DOMZBBRYSA-N 291.395 0.788 0 50 CCAA CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1cc[nH]n1 299777341 PUKFZWUBSHCXLJ-NSHDSACASA-N 293.371 0.082 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)c1ccc(O)cn1 584899093 KBCHLLYILOXCNZ-UHFFFAOYSA-N 265.313 0.822 0 50 CCAA CCNC(=O)c1ccc(N[C@H]2CCCCNC2=O)nc1 732920414 PSPAZZOUDNJPMQ-NSHDSACASA-N 276.340 0.912 0 50 CCAA CN1CCN(C(=O)[C@H]2CC(=O)OC23CCCCC3)CC1=O 584885563 HOSIOCCVTSATMA-LLVKDONJSA-N 294.351 0.553 0 50 CCAA CCc1ccc(S(=O)(=O)N2CCO[C@H](CO)C2)s1 168487839 VZIXFFCVLWJJFM-VIFPVBQESA-N 291.394 0.692 0 50 CCAA COC(=O)[C@H](NCc1ccc2cn[nH]c2c1)[C@@H](C)O 170608743 RYCGYSSWUQTJCG-PRHODGIISA-N 263.297 0.575 0 50 CCAA O=C([C@H]1C[C@H](F)CN1)N1CCN(Cc2ccon2)CC1 188777778 JUKGDMLNAPXBDN-CMPLNLGQSA-N 282.319 0.019 0 50 CCAA CNC(=O)c1cccc(CCC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)c1 563119102 JSOYRBRYTIXANH-NHAGDIPZSA-N 287.363 0.313 0 50 CCAA O=C(NC1(c2nnc[nH]2)CCC1)c1ncccc1O 194291920 PAZNECQFDBLGGV-UHFFFAOYSA-N 259.269 0.715 0 50 CCAA COCC(COC)NC(=O)N1CCO[C@@](C)(C2CC2)C1 661277197 SPZYIQBPDAMRHI-CQSZACIVSA-N 286.372 0.858 0 50 CCAA CCn1ncnc1CN1CCC[C@@H](N2CCCC2=O)C1 216339424 CRNDBCZQYLXFKH-GFCCVEGCSA-N 277.372 0.885 0 50 CCAA Cc1cc(N)n(CC(=O)NC[C@@H](CO)Cc2ccco2)n1 1506431608 RHFAKMQTWNBKLO-NSHDSACASA-N 292.339 0.334 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(C)on3)C[C@H]2O)n[nH]1 1529158693 JPNFZKWZRZCTSV-ZWNOBZJWSA-N 290.323 0.690 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CC2(CNC(=O)N2)C1 1857688271 ZSMKCXBLRCMASC-UHFFFAOYSA-N 268.704 0.186 0 50 CCAA O[C@H]1CN(CCSc2ccc(F)cc2)C[C@@H]1O 225449997 WEJZRFPZXOJKJJ-RYUDHWBXSA-N 257.330 0.955 0 50 CCAA CC[C@H](C(=O)N(CCO)Cc1cnc(C)[nH]1)n1cccn1 1704353520 OJYARIREFWDIJD-CYBMUJFWSA-N 291.355 0.887 0 50 CCAA CC1(C)O[C@@H]2[C@@H](O)O[C@H]([C@H]3COC(C)(C)O3)[C@@H]2O1 4262346 JWWCLCNPTZHVLF-ZJDVBMNYSA-N 260.286 0.375 0 50 CCAA in-vitro CN1CCOC2(CCN(c3cc(C(N)=O)ccn3)CC2)C1 1772808631 WNANXQBKNPAJQD-UHFFFAOYSA-N 290.367 0.482 0 50 CCAA O=C1N(CC2CCC2)CCC[C@]1(O)CN1CCCOCC1 12703010 WNDJVODZUKHBOJ-INIZCTEOSA-N 296.411 0.862 0 50 CCAA OC[C@H]1C[C@H]2CN(c3ccc(F)cn3)C[C@H]2[C@H]1CO 1857728092 NEWUWVRAQIRCIX-YGNMPJRFSA-N 266.316 0.894 0 50 CCAA Cc1ocnc1C(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857736236 GJQFCRNYINALPF-YGRLFVJLSA-N 291.307 0.546 0 50 CCAA O=C1CC(C(=O)NCc2cccc(Cn3cncn3)c2)C1 408513873 GTVVRMTYRFIAFX-UHFFFAOYSA-N 284.319 0.922 0 50 CCAA C[C@H](N(C)C(=O)c1ccc(S(N)(=O)=O)cn1)C1(C)CC1 332133521 KGWAMEZKSPPOPX-VIFPVBQESA-N 297.380 0.990 0 50 CCAA COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cn[nH]c1 248961536 GOBPQSPKZFQTLM-GDPRMGEGSA-N 263.297 0.823 0 50 CCAA Cc1ccccc1OCCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1 253393018 VGFKVHIWNAONCJ-KGLIPLIRSA-N 292.379 0.945 0 50 CCAA CN1CCO[C@@H](C(=O)N[C@](C)(CO)C2CCCCC2)C1 157823454 ZZVHKXFGRYGACF-UKRRQHHQSA-N 284.400 0.765 0 50 CCAA CC1(C)[C@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@@H]21 266103427 QXRKTAHMHRMYKE-UWVGGRQHSA-N 271.324 0.781 0 50 CCAA Cc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)o1 1704336607 YPJLKWNWDUDZMK-NEPJUHHUSA-N 264.325 0.877 0 50 CCAA C=CC(=O)N(CC)CC(=O)NCc1nnn(C(C)(C)C)n1 912047298 JZJHPBQDUZBEBM-UHFFFAOYSA-N 294.359 0.079 0 50 CCAA C[C@H](C(=O)NCCN1CCNC1=O)n1cccc1 1119604715 KIULQUVMJRHREH-SNVBAGLBSA-N 250.302 0.191 0 50 CCAA CC(=O)N1C[C@H]2C[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 1875276200 DHFXMYLJAPLQNR-RNCFNFMXSA-N 292.364 0.644 0 50 CCAA CCn1nnc2c(N[C@H](C)CC(=O)NC)ncnc21 1875271963 AIWNOYLRKKLBNU-SSDOTTSWSA-N 263.305 0.178 0 50 CCAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cocn1 1875402338 GKRDGRPMTZYEFP-CKYFFXLPSA-N 276.296 0.441 0 50 CCAA O=C1CCN(C(=O)Cn2cc(C3CC3)cn2)[C@H]2CCCN12 888160801 DBJXOGCIICVSJR-ZDUSSCGKSA-N 288.351 0.941 0 50 CCAA COCCc1nsc(N(C)[C@H]2CCC(=O)N(C)C2)n1 895952057 DVQHNQALCKYYMC-VIFPVBQESA-N 284.385 0.784 0 50 CCAA Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1O 625595347 IIMRUAUCESSISK-QWRGUYRKSA-N 289.328 0.562 0 50 CCAA Cc1cc(N[C@@H](C(=O)N(C)C)C(C)C)nc(N)n1 91563381 HUJPAFCRVVPGEJ-SNVBAGLBSA-N 251.334 0.892 0 50 CCAA CNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 379980 BCOUDFUZOZVTRV-UHFFFAOYSA-N 270.354 0.815 0 50 CCAA CN(C)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(CO)C2)cc1 2356152495 MBPRKFASQQBXGH-BBRMVZONSA-N 290.363 0.834 0 50 CCAA COC(=O)CNC(=O)CN(C)C(=O)OCc1ccccc1 3200645 AQWRTPUGLKUUQI-UHFFFAOYSA-N 294.307 0.544 0 50 CCAA CCCc1nnc(S)n1CC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 225472012 LIBPYEZWBPJNFC-KXUCPTDWSA-N 296.396 0.955 0 50 CCAA CNC(=O)[C@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 226346317 HHQNELVLAASJEN-VHSXEESVSA-N 255.362 0.344 0 50 CCAA CCc1ncc2c(n1)CN(C(=O)[C@@H](C)Cn1cncn1)C2 67696634 MEMAQKZNEHQJRH-JTQLQIEISA-N 286.339 0.809 0 50 CCAA CC(C)(C)c1cc(CN2CCO[C@H](CN)C2)n[nH]1 67965745 OJQHRLUOHCOTBD-LLVKDONJSA-N 252.362 0.867 0 50 CCAA COCCN1CCC(CNC(=O)c2ccon2)CC1 171412911 WHWNBRDTCBTIRY-UHFFFAOYSA-N 267.329 0.763 0 50 CCAA COC(=O)C[C@@H]1CNC(N2CCc3ccccc32)=NC1=O 22126985 HERVVUKBZRJELE-LLVKDONJSA-N 287.319 0.714 0 50 CCAA Cc1nc(C2(NC(=O)[C@H]3CNCCO3)CCCC2)no1 150877286 PUXBMGPFFUODGQ-SNVBAGLBSA-N 280.328 0.252 0 50 CCAA O=C(O)Cn1ccc(NC(=O)CC[C@H]2CCCO2)n1 122854462 LGLSXMBORYEJIS-SECBINFHSA-N 267.285 0.865 0 50 CCAA CN1CC[C@H]2CN(C(=O)CSc3nnc(N)s3)C[C@H]21 77486434 YCFZVOYVGAQSBM-JGVFFNPUSA-N 299.425 0.375 0 50 CCAA CCc1cc(C(=O)NC[C@@H]2CN(C)C(=O)CO2)ccn1 219429236 ADRSNHUONGDOTL-GFCCVEGCSA-N 277.324 0.231 0 50 CCAA CC(C)c1cc(C(=O)N2CCOC[C@H](CO)C2)no1 77540629 GREKIYJVMTXGJN-JTQLQIEISA-N 268.313 0.879 0 50 CCAA CN1C[C@H](C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1=O 132591592 AWIPGRDIZUECFQ-ZYHUDNBSSA-N 292.339 0.479 0 50 CCAA C[C@H](NC(=O)/C=C/c1ccccc1)c1nc(=O)[nH][nH]1 216240167 ONEIEPVSCQBRMF-FLOXNTQESA-N 258.281 0.989 0 50 CCAA Cc1n[nH]c(C)c1CCN(C)C[C@@]1(O)CCCNC1 77320148 JSEWDDLHYQCBOD-CQSZACIVSA-N 266.389 0.615 0 50 CCAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1 72143115 RYKOIDJRNANACO-CQSZACIVSA-N 272.308 0.847 0 50 CCAA Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)no1 285503101 OYALCDJUYZGYDR-CABZTGNLSA-N 276.296 0.977 0 50 CCAA CCc1occc1C(=O)N1C[C@H](F)C[C@H]1C(N)=O 287128318 YKINWWMQMWTYJR-APPZFPTMSA-N 254.261 0.880 0 50 CCAA CCO[C@@H]1C[C@](CO)(NC(=O)NCCC(=O)O)C1(C)C 263351200 HWCZNIZRQVFKLS-NOZJJQNGSA-N 288.344 0.326 0 50 CCAA O=S(=O)(Cc1ccc(F)cc1)NC[C@@H]1C[C@H](F)CN1 82098142 WDROXOGMTKUTPZ-RYUDHWBXSA-N 290.335 0.945 0 50 CCAA COCCN1C[C@@H](C(=O)NCc2cc(C)[nH]n2)CCC1=O 91808098 HGGWPBLZCLFMFJ-NSHDSACASA-N 294.355 0.219 0 50 CCAA Cc1nc(C)c(C)c(N2C[C@@H](CO)[C@H](CO)C2)n1 91664521 LHRLOBWXJDJQQI-RYUDHWBXSA-N 251.330 0.439 0 50 CCAA Cc1ccc2nc(COCC(=O)NCCCO)[nH]c2c1 97655410 JBIRLBFLEJPZCI-UHFFFAOYSA-N 277.324 0.887 0 50 CCAA CN1CCCC[C@@H]1CCC(=O)NCCc1ncnn1C 95384782 MGZCXTGHPQWHHB-GFCCVEGCSA-N 279.388 0.738 0 50 CCAA COCCN(C)C[C@@H]1CN(Cc2ncc[nH]2)C[C@@H]1CO 95351983 KHHBNKIUNJHWMU-CHWSQXEVSA-N 282.388 0.028 0 50 CCAA Cc1nnc(NCc2nnnn2-c2ccccc2)o1 95355082 DRUUNSYUUJFHPQ-UHFFFAOYSA-N 257.257 0.966 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)nc(C)n1 252479850 BNXFLDZLPCFYHS-UWVGGRQHSA-N 252.293 0.523 0 50 CCAA CN1CCN(C(=O)c2cc(C3CCNCC3)ccn2)CC1 534661738 KKZARUGHQHSTOH-UHFFFAOYSA-N 288.395 0.936 0 50 CCAA CC(C)N(C)S(=O)(=O)N[C@@H](C)c1ncnn1C 353862966 ZGBLVNRHMNJAFF-QMMMGPOBSA-N 261.351 0.051 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCC[C@]2(CCOC2)C1 616092958 NZFKQQRLVOYAPJ-LBPRGKRZSA-N 275.370 0.450 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@H]2COC[C@@H]2N2CCCC2)n1 534631892 OFDCZCVSEUHHPN-KBPBESRZSA-N 292.383 0.479 0 50 CCAA CC(C)n1cnnc1CCNC(=O)C[C@@H]1CCOC1 584891611 NDDJKHFNAQTKDY-NSHDSACASA-N 266.345 0.944 0 50 CCAA O=C(N1CCOCC1)N1CCC(N[C@@H]2CCCOC2)CC1 670462984 GOEYDOQGWGQMAX-CQSZACIVSA-N 297.399 0.672 0 50 CCAA CN(CCO)C1CCN(C(=O)C[C@H]2CCOC2)CC1 584902112 KLACNVMCTVGDID-GFCCVEGCSA-N 270.373 0.328 0 50 CCAA Cc1noc(CN(C)C(=O)NC2CCNCC2)n1 1332946473 NHJYMAJSKHTNRF-UHFFFAOYSA-N 253.306 0.271 0 50 CCAA Cc1cccc(=O)n1CCC(=O)N[C@@H](C)c1ncnn1C 670472075 XICHPVIATPGKPM-NSHDSACASA-N 289.339 0.553 0 50 CCAA Cc1nonc1CNS(=O)(=O)N1CCC(C)CC1 742325094 CELUOBYVYFNMNS-UHFFFAOYSA-N 274.346 0.444 0 50 CCAA CCOCCC(=O)N1CC[C@H](CN(C)C)[C@@H](O)C1 1565528095 DETKJSGVDNLNPT-NEPJUHHUSA-N 258.362 0.184 0 50 CCAA COCCc1noc([C@H](C)NC(=O)C2=C(C)OCCO2)n1 952987023 IMDKPIFUIQKZFQ-QMMMGPOBSA-N 297.311 0.714 0 50 CCAA CCCOCC(=O)N1CCSC[C@H]1C(=O)OCC 222225031 AXQOHIBRAAVYHU-JTQLQIEISA-N 275.370 0.920 0 50 CCAA CCO[C@@H]1C[C@@](CO)(NC(=O)c2cc[nH]n2)C1(C)C 188873869 IXJCQLQJMIUGLT-MFKMUULPSA-N 267.329 0.706 0 50 CCAA CN1CCC(O)(CNC(=O)C[C@@H]2C=CCC2)CC1 80879910 PYTNQBZDPOOEBD-GFCCVEGCSA-N 252.358 0.916 0 50 CCAA CNc1cnc(C(=O)NCC2(C(=O)OC)CC2)cn1 585089463 OVMVVSODJPHMGM-UHFFFAOYSA-N 264.285 0.201 0 50 CCAA CC(C)(C)NC(=O)CN1CCN(C[C@@H]2CCCOC2)CC1 1506399996 LEQMHYDMNJZCNI-AWEZNQCLSA-N 297.443 0.945 0 50 CCAA CCC[C@@H](CC(=O)O)NC(=O)c1cccc(=O)[nH]1 220239229 VGIIICKPLBUQRT-QMMMGPOBSA-N 252.270 0.748 0 50 CCAA Cc1ccn2c(NC(=O)CN3CCCCC3=O)nnc2n1 1529152297 RYRLJDCKCWAYCY-UHFFFAOYSA-N 288.311 0.384 0 50 CCAA CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)O 12954666 GVTOUAJILWSKTN-ZETCQYMHSA-N 258.274 0.197 0 50 CCAA in-vitro O=C(c1n[nH]c2ccccc12)N1CCC([C@H](O)CO)CC1 1772712967 XDMYQHHTDNQCCL-CYBMUJFWSA-N 289.335 0.768 0 50 CCAA Cc1csc(CCN2C(=O)C[C@H]3NCC[C@H]32)n1 1857694296 JWUBKIHPQSOWRR-NXEZZACHSA-N 251.355 0.957 0 50 CCAA O=C(O)C[C@@H](CC(=O)Nc1nnn[nH]1)c1ccccc1 5731482 UGHHCYZCMXVDJW-SECBINFHSA-N 275.268 0.787 0 50 CCAA COCC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 11769025 CTGOWKPNXYDASX-OAHLLOKOSA-N 280.368 0.884 0 50 CCAA O=C1[C@H]2CCCN2C(=O)[C@@H]2C[C@H](NCc3ccccc3)CN12 14745586 BBDHDCDJMIIISV-ZNMIVQPWSA-N 299.374 0.750 0 50 CCAA COc1cc2c(c(OC)c1OC)C(=O)C(=O)N(C)C2=O 15085134 PLVWFUPNHCSMKZ-UHFFFAOYSA-N 279.248 0.507 0 50 CCAA O=c1[nH]ncc(NCCCN2CCOCC2)c1Cl 19793191 IUVXNTGULXQFNX-UHFFFAOYSA-N 272.736 0.558 0 50 CCAA CO[C@H]1[C@@H](NC(=O)c2cc(O)n(C)n2)[C@H]2CCC[C@H]21 1857533079 BIHRJLRKJZWATE-IZLWQMGWSA-N 265.313 0.669 0 50 CCAA Cc1ccc(CN2CCO[C@H](Cn3ccnn3)C2)cn1 639856734 VQZRQAMQAVLAEB-AWEZNQCLSA-N 273.340 0.883 0 50 CCAA O=C(O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 82278 DUANFASSZWBAOS-ZDUSSCGKSA-N 276.336 0.894 0 50 CCAA in-vitro C/C=C/Cn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C 12343362 FJCMRXQLSSVTPS-AATRIKPKSA-N 263.301 0.065 0 50 CCAA biogenic CS(=O)(=O)c1nnc(CN2CCC[C@H](F)C2)s1 902994653 GTZYFHBNXTYVKL-ZETCQYMHSA-N 279.362 0.876 0 50 CCAA O=C(NCc1ccc(-n2cncn2)cc1)[C@@]1(F)CCNC1 827149712 SPMYOFCALCPLKC-CQSZACIVSA-N 289.314 0.585 0 50 CCAA C=CS(=O)(=O)CCC(=O)Nc1cnc(C)c(C(N)=O)c1 952881035 PYUWCGTUWPFOAQ-UHFFFAOYSA-N 297.336 0.376 0 50 CCAA Cn1nc(C(=O)NC[C@@H]2CCCC[C@H]2O)c2c1CCOC2 1875290654 VQSPUQAKNZHOGM-GXFFZTMASA-N 293.367 0.774 0 50 CCAA C[C@](O)(CN=c1[nH]cnc(=N)[nH]1)CC1CCCCC1 1875307186 WQUJSZFEOWXDRX-CYBMUJFWSA-N 265.361 0.839 0 50 CCAA Cn1nnnc1Cn1c(Cc2ccc(F)cc2)noc1=O 1875316117 WATJBZUBIINOMJ-UHFFFAOYSA-N 290.258 0.138 0 50 CCAA Cn1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)n1 331387388 LDZZNYPATSVLSN-GFCCVEGCSA-N 260.345 0.924 0 50 CCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)[C@@H]1Cc2ccccc2O1 659171263 NIEWMVWHJLLVJC-ZMLRMANQSA-N 277.276 0.348 0 50 CCAA O=C(Cc1ccc2c(n1)OCCO2)NO[C@@H]1CCOC1 2325745679 ZQQVAGBKHCWTBZ-SNVBAGLBSA-N 280.280 0.232 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(CCc2cnc(C3CC3)nc2)C1 2325787172 GZLMRFBPDACDDA-LLVKDONJSA-N 275.308 0.830 0 50 CCAA C[C@H]1C[C@H]2CN(c3ccnc4c3CNC4=O)CCN2C1 2325891351 BBWQREMEKZSVER-QWRGUYRKSA-N 272.352 0.855 0 50 CCAA O=C(O)c1cn([C@H]2CCN(c3nccs3)C2)nn1 910315895 QINOTTFWSUIKGB-ZETCQYMHSA-N 265.298 0.884 0 50 CCAA CN(CCS(C)(=O)=O)C(=O)[C@@H]1CCCCCC[C@H]1N 225487489 HNADMRSETSDLAB-VXGBXAGGSA-N 290.429 0.787 0 50 CCAA C/C(Cl)=C/CON1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 105203706 WLTQHCQYBWQRBA-YZGHLTKESA-N 269.684 0.999 0 50 CCAA O=C(O)[C@H]1CC(=O)N(Cc2ccc(-n3cncn3)cc2)C1 65420074 UIEKMIQRXBYPSC-NSHDSACASA-N 286.291 0.700 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 249508623 LHXSCUPKHILKJC-NGZCFLSTSA-N 261.343 0.105 0 50 CCAA C[C@H](c1n[nH]c(=O)n1Cc1ccco1)N1CCOCC1 65507982 KGEMWFPNJKGHLA-SNVBAGLBSA-N 278.312 0.606 0 50 CCAA CC[C@H]1CN(c2nccc(-c3ncnn3C)n2)CCO1 65404586 FKKKHUHSBIFEPE-JTQLQIEISA-N 274.328 0.887 0 50 CCAA Nc1nc(CCN2C[C@@H](C(=O)O)CC2=O)cs1 65381074 UCGGKOQLUURYLN-LURJTMIESA-N 255.299 0.201 0 50 CCAA CN(C)C(C)(C)CNC(=O)c1cn([C@@H]2CCCNC2)nn1 424127656 BHGPDHZPBPPHKN-LLVKDONJSA-N 294.403 0.273 0 50 CCAA C[C@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)O 153419927 UFLZEUQNOVRJNG-QMMMGPOBSA-N 264.285 0.280 0 50 CCAA Cn1cc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cn1 215109 NVKJMMZZYDHHBL-WDEREUQCSA-N 263.297 0.703 0 50 CCAA NCc1cn(CC(=O)NCC2CCCCC2)nn1 123012717 BLCMSXZXBNVNEW-UHFFFAOYSA-N 251.334 0.433 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@](C)(CO)C1 1329947036 BCXNFOPVDVORBM-ZDUSSCGKSA-N 254.330 0.252 0 50 CCAA C[C@H](c1cccnc1)N1CCO[C@H](CN(C)CC(N)=O)C1 282227106 ZCHOLHADVMTFGG-TZMCWYRMSA-N 292.383 0.261 0 50 CCAA N=C(O)[C@@]1(O)CCCN(CCOCC(F)(F)F)C1 330367095 LKFDRQLKPSTHKX-SECBINFHSA-N 270.251 0.927 0 50 CCAA NC(=O)[C@H]1CCN(CCN2CCNC2=O)c2ccccc21 367358136 ZQEPRBIVXDZTBA-LBPRGKRZSA-N 288.351 0.491 0 50 CCAA Cc1cc(C(=O)NC[C@H]2CNC[C@@H]2O)c2[nH]ncc2c1 262117494 FRCVUSRPPYGGRI-PWSUYJOCSA-N 274.324 0.181 0 50 CCAA CC(C)(C)OC(=O)N[C@H](Cn1cncn1)C(=O)O 199492955 QIHZXRJAHXMAAU-SSDOTTSWSA-N 256.262 0.256 0 50 CCAA Cc1ccc(C(=O)N[C@H]2CCNC2=O)c(OCCCN)c1 426388187 RSDRCWHGFFVXHK-LBPRGKRZSA-N 291.351 0.341 0 50 CCAA OCCNc1nc([C@@H]2CCOC2)cc(N2CCCC2)n1 426584631 GMSNGJGMFARKCH-LLVKDONJSA-N 278.356 0.985 0 50 CCAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc2[nH]c(CO)nc2c1 223581188 UAVSJZYHXXHZJC-CDMKHQONSA-N 287.319 0.962 0 50 CCAA CCC1(CNC(=O)[C@H](CCC(N)=O)NC(C)=O)CCC1 84282865 RTSYNGVVTSIDMR-NSHDSACASA-N 283.372 0.453 0 50 CCAA O=C(NCCCc1nn[nH]n1)[C@@H]1COc2ccccc2C1 426519173 CYOXYZTUOAEEHM-NSHDSACASA-N 287.323 0.500 0 50 CCAA COCCN(Cc1cccs1)C(=O)Cc1nc(O)n[nH]1 426380172 URCRCJOJAABZNY-UHFFFAOYSA-N 296.352 0.790 0 50 CCAA COCc1cccc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)n1 97660276 GLOKZLFBCUDVRW-GXTWGEPZSA-N 280.324 0.186 0 50 CCAA CCN(CCO)C[C@@H]1CN(C(=O)C=C(C)C)C[C@@H]1CO 91737559 LQJDAVDXDYAQQF-ZIAGYGMSSA-N 284.400 0.334 0 50 CCAA Cc1cc(C(F)(F)F)cc(=O)n1C[C@@H](O)CO 95515148 SLLULOAZALIRLN-MRVPVSSYSA-N 251.204 0.529 0 50 CCAA COc1ccc(C=c2sc3ncnn3c2=O)cc1 254567367 SUKZTPQBMIEINA-UHFFFAOYSA-N 259.290 0.707 0 50 CCAA CCOc1ccccc1C(=O)N1CCO[C@@H](C(=O)NC)C1 183571014 HJAZMWHKSYJBEU-CYBMUJFWSA-N 292.335 0.672 0 50 CCAA CCOc1cccnc1C(=O)N1CCO[C@H](C(=O)O)C1 299751170 PTWYOSKOPBVFOB-JTQLQIEISA-N 280.280 0.406 0 50 CCAA O=C(Cn1ncc2ccccc21)N1CCO[C@H]2CNC[C@H]21 299745454 ZEYKVRJLZGWICZ-KGLIPLIRSA-N 286.335 0.236 0 50 CCAA CCC1(CC)[C@H](NC(=O)[C@H]2COCCN2)C[C@H]1OC 299739217 LXBFHAQJBCDGRC-IJLUTSLNSA-N 270.373 0.685 0 50 CCAA CC(C)OC(=O)N1CCC(NCCc2nc(N)n[nH]2)CC1 534650434 HSSZZDKIGZKGSS-UHFFFAOYSA-N 296.375 0.528 0 50 CCAA CCCn1ccnc1CNS(=O)(=O)c1cnn(C)c1C 534675398 ZXMOMQPNILCHHI-UHFFFAOYSA-N 297.384 0.814 0 50 CCAA O=C1OCC2(CCN(C(=O)[C@@H]3CCCNC3)CC2)O1 534645903 UASAZDIQDLMEIS-SNVBAGLBSA-N 268.313 0.514 0 50 CCAA CC(C)c1cc(CNC(=O)[C@H]2CCC(=O)NC(=O)N2)no1 534633469 AACZUKRZDDCCOZ-SECBINFHSA-N 294.311 0.402 0 50 CCAA Cc1nonc1CC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N 534654467 NCGPZLOKBNIJFZ-GDGBQDQQSA-N 250.302 0.116 0 50 CCAA CN(C[C@@H]1CC1(C)C)C(=O)CN1C(=O)CN(C)C1=O 621054054 JGYAKPUBEVLWJH-VIFPVBQESA-N 267.329 0.385 0 50 CCAA O=C(c1cncc(O)c1)N1CCN(C(=O)C2CCC2)CC1 584901150 GXKDTJATDIZNAW-UHFFFAOYSA-N 289.335 0.872 0 50 CCAA Cc1cc(O)nc(CCNC(=O)c2cscn2)n1 584887419 KCSFKJRLMCPOJO-UHFFFAOYSA-N 264.310 0.920 0 50 CCAA CCNC(=O)c1ccc(N2CC[C@H](CC(=O)NC)C2)nc1 670470542 OSAAYTBHDBIYSG-LLVKDONJSA-N 290.367 0.794 0 50 CCAA O=C1NC2(CCCC2)C(=O)N[C@@H]1Cc1ccc(O)cc1 670438506 MUNKHHVBEDECKA-GFCCVEGCSA-N 274.320 0.862 0 50 CCAA Cc1c(F)cccc1S(=O)(=O)N[C@H](C(=O)O)[C@H](C)O 274917400 LZKMXCUUVRVOIC-XVKPBYJWSA-N 291.300 0.246 0 50 CCAA COC[C@@H](C)CC(=O)Nc1ccn([C@@H]2CCNC2)n1 547691414 SSLJSZUNENDEAL-WDEREUQCSA-N 266.345 1.029 0 50 CCAA Cc1nc(C)c(NC(=O)C(=O)N2CCNC(=O)CC2)s1 276231751 YZSAUQSQTVBKTM-UHFFFAOYSA-N 296.352 0.047 0 50 CCAA O=S1(=O)COCCN1CCOc1ccccc1 91452246 OHDBIHAAJCNCGH-UHFFFAOYSA-N 257.311 0.685 0 50 CCAA COCCN1CC(=O)N([C@H]2CSC[C@H]2C)C1=O 408517057 ZVYYIOAVAISROD-BDAKNGLRSA-N 258.343 0.649 0 50 CCAA Cc1ncn(Cc2cc(=O)n3ccsc3n2)c(=O)c1C 188212450 IYEZHMWYJOMCNC-UHFFFAOYSA-N 288.332 0.978 0 50 CCAA CNC(=O)[C@H]1CN(C[C@@H](O)c2ccc(F)cc2)CCO1 221777761 SZXXOEPIWZTZDB-CHWSQXEVSA-N 282.315 0.306 0 50 CCAA CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccco1)CC2 188691519 ZYWFKGLDTDVAOD-VIFPVBQESA-N 296.352 0.727 0 50 CCAA CN(C)c1ncnc2c1ncn2Cc1cnnn1C 565742631 PBNPFJHIHJEWBX-UHFFFAOYSA-N 258.289 0.069 0 50 CCAA COC[C@@H](OC)C(=O)N1CCCC[C@@H]1CC(=O)O 659144427 HAUHUANNNWMHSZ-NXEZZACHSA-N 259.302 0.504 0 50 CCAA CCN1C[C@H](CN(C)C(=O)c2ncc[nH]2)CC1=O 1506423608 YMNJYKBBFXEPLP-VIFPVBQESA-N 250.302 0.350 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccnc1 225644620 WKVLWXBEDYOYLD-ZNSHCXBVSA-N 260.249 0.674 0 50 CCAA NC(=O)CO[N@@]1CC1(C(F)(F)F)C(F)(F)F 1857524959 LEIFNDWBTHHMJW-AWEZNQCLSA-N 252.114 0.582 0 50 CCAA CCc1nsc(N2CCCN(C(N)=O)CC2)n1 608340949 NQTKJMNRRPWCQX-UHFFFAOYSA-N 255.347 0.691 0 50 CCAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)C1CCNCC1 1704348944 YDPGQEQCJCQIBK-CABCVRRESA-N 289.379 0.755 0 50 CCAA COC[C@H]1CN(c2ncnc3scnc23)CCO1 408523091 GQMOXHSYZKKVRM-MRVPVSSYSA-N 266.326 0.938 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)CC(F)(F)F 643945082 WLDBSJAOOVFHGK-VIFPVBQESA-N 268.235 0.432 0 50 CCAA COc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1Cl 4857721 MBKAWIIODCFZIV-ZCFIWIBFSA-N 292.744 0.501 0 50 CCAA OCC[C@@H]1CCCCN1C[C@@H](O)COC[C@@H]1CCCO1 229654105 GMSIBAZBZPSFCX-ZNMIVQPWSA-N 287.400 0.780 0 50 CCAA Cc1ccc(C(=O)NC2(C(N)=O)CCOCC2)cn1 371222782 IWMLQMXLQMNCOW-UHFFFAOYSA-N 263.297 0.154 0 50 CCAA CN(CCN1CCCC1)C[C@H]1CCC(=O)N(C)C1 1775983145 YQYNTWNROBGLOO-CYBMUJFWSA-N 253.390 0.882 0 50 CCAA C[C@H](Nc1ncc(F)c(N(C)C)n1)c1ncnn1C 1772706574 SYGXGORITPHVLL-ZETCQYMHSA-N 265.296 0.983 0 50 CCAA Cc1cc(N2CCC[C@](O)(C(N)=O)C2)nc(C2CC2)n1 225475941 SPOLWKPLNNZMIA-CQSZACIVSA-N 276.340 0.479 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)[C@H]2Cc3cccc(F)c3O2)CCO1 360552800 LBOTYIOBXJLZTL-MNOVXSKESA-N 295.266 0.441 0 50 CCAA NC(=O)CNC(=O)c1cc(-c2c[nH]c3nccc-3c2)ccn1 1124848007 KCWCJAAHYVSSBA-UHFFFAOYSA-N 295.302 0.792 0 50 CCAA O=C(C[C@]1(O)CCCNC1)NC[C@@H](O)c1ccc(F)cc1 864091688 GZJGATRPXHKSGW-UKRRQHHQSA-N 296.342 0.480 0 50 CCAA Cc1nc(C(=O)NCc2nc3c([nH]2)CCCC3)no1 1875282379 AXISJUZKFNWGFB-UHFFFAOYSA-N 261.285 0.910 0 50 CCAA CN1CCN(Cc2ccc(O)nn2)C[C@H]1c1ncc[nH]1 1875296943 VTSJCPNUMWXTPX-NSHDSACASA-N 274.328 0.394 0 50 CCAA O=C(N=c1[nH]ncs1)NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875290746 BPARQJJKCRKINK-QKAWAISNSA-N 266.326 0.505 0 50 CCAA N[C@@H](C(=O)Nc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CCOC1 1875358821 KVSWWWQOCRVPHE-ZYHUDNBSSA-N 287.323 0.774 0 50 CCAA C[C@H](O)c1cn([C@@H]2CCCN(c3cnn(C)c3)C2=O)nn1 881299485 LSSNIKPEOAPWBJ-JOYOIKCWSA-N 290.327 0.433 0 50 CCAA O=S(=O)(NC1CN(c2ccccn2)C1)N1CCCCC1 1775990062 IRPBMCQBWHYXHJ-UHFFFAOYSA-N 296.396 0.591 0 50 CCAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1ccco1 263491815 PAUPCLVDDNVFSY-HRDYMLBCSA-N 271.294 0.906 0 50 CCAA CCc1nc(C)cc(NCCn2cc(C(=O)O)nn2)n1 312412603 XFEFSGUSLNOQMF-UHFFFAOYSA-N 276.300 0.749 0 50 CCAA COCc1noc(CN2C(=O)CC(C)(C)C2=O)n1 332714477 POUBOHBFIFNXSP-UHFFFAOYSA-N 253.258 0.501 0 50 CCAA Cc1nnc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)s1 670467476 YBKQFNMBYMOCMT-QWRGUYRKSA-N 268.386 0.487 0 50 CCAA N=c1nc(-n2cccn2)cc(N2CC[C@@H]3NCCC[C@@H]3C2)[nH]1 2325772621 GXUIIGDWMOGCPV-NEPJUHHUSA-N 299.382 0.653 0 50 CCAA CNC1(C(N)=O)CCN(C(=O)[C@H]2CC[C@H](C)C2)CC1 2325802148 LLGOCTFVPKJJKD-QWRGUYRKSA-N 267.373 0.489 0 50 CCAA CC(C)(C)OC(=O)N1CC(=O)N2CCCCNC[C@H]2C1 2325712068 CGGFPXITYJFFOZ-NSHDSACASA-N 283.372 0.818 0 50 CCAA CCOn1c(=O)c(=O)n(OCC)c2ccccc21 102147 OGHDRONGEXJXFN-UHFFFAOYSA-N 250.254 0.060 0 50 CCAA Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1 196167 SXZQZDJYYNIWGG-UHFFFAOYSA-N 282.365 0.894 0 50 CCAA CS(=O)(=O)N1C[C@@H](C(=O)O)Oc2ccc(Cl)cc21 1399645 DBLMTKDBFGZVBA-VIFPVBQESA-N 291.712 0.952 0 50 CCAA CCc1ccccc1NC(=O)C(=O)NC[C@H](C)O 2944575 GRFCVQBJOMXGBO-VIFPVBQESA-N 250.298 0.685 0 50 CCAA COC(=O)[C@@H]1CCn2c(nnc2-c2cnn(C)c2)C1 601044017 GCIHYRYZHOGMRZ-MRVPVSSYSA-N 261.285 0.414 0 50 CCAA O=C(NCCCn1ccnc1)[C@H]1CC(=O)N(C2CC2)C1 55531007 ODPDXPTWEVXHHC-NSHDSACASA-N 276.340 0.400 0 50 CCAA O=C(O[C@H]1C[C@@H]2N[C@H](C1)[C@H]1O[C@@H]21)[C@H](CO)c1ccccc1 101153269 MOYZEMOPQDTDHA-LACSLYJWSA-N 289.331 0.576 0 50 CCAA biogenic CC(C)c1ccc(N2CCN(C)[C@@H](C(=O)O)C2)nn1 106696493 CNOTZJDYMQIIBD-LLVKDONJSA-N 264.329 0.805 0 50 CCAA O=C(NCCN1CCOCC1)c1ccc2nccnc2c1 20500567 QULLIIGUIYGDIB-UHFFFAOYSA-N 286.335 0.692 0 50 CCAA O=C(CN1C(=O)c2ccncc2C1=O)Nc1nccs1 20427181 DYHVOOQXRHDMOQ-UHFFFAOYSA-N 288.288 0.773 0 50 CCAA NC(=O)c1nnn(Cc2ccccc2Cl)c1N 157372 YNHMYRUNFIQMPN-UHFFFAOYSA-N 251.677 0.661 0 50 CCAA O=C([C@@H]1CC12CCCC2)N1CCS(=O)(=O)CC1 329970134 UTTLVARYHVNFCM-JTQLQIEISA-N 257.355 0.824 0 50 CCAA CN(C)[C@@H]1CN(CCc2ccncc2)C[C@@H]1n1ccnn1 859753847 RWIRIZNYOWFMQZ-CABCVRRESA-N 286.383 0.703 0 50 CCAA C[C@@H](C1CC1)n1nccc1NC(=O)[C@H]1CNCCO1 150718864 YEWASZMPEDSQRB-GXSJLCMTSA-N 264.329 0.781 0 50 CCAA Cc1nscc1C(=O)N1CCOC[C@H]1c1ncnn1C 328894195 UTXHKFKESLBXRI-JTQLQIEISA-N 293.352 0.794 0 50 CCAA N[C@@H]1CCCN(C(=O)c2cc(-n3cccn3)ccn2)C1 157776667 DCFWTIGPYBOJMK-LLVKDONJSA-N 271.324 0.831 0 50 CCAA O=C(NCCO)C(=O)Nc1cccc(CC(F)(F)F)c1 128028917 WJKWZEOJDSTMMQ-UHFFFAOYSA-N 290.241 0.838 0 50 CCAA CN(Cc1cnc(N)nc1)c1ncnc2c1CCNCC2 72419421 CJWGJVNMQLTCOY-UHFFFAOYSA-N 285.355 0.173 0 50 CCAA CCc1nnc2n1C[C@H](NCc1n[nH]cc1C)CC2 377771730 DIRCXKGCAFNDND-SNVBAGLBSA-N 260.345 0.977 0 50 CCAA CC(C)C1(CNC(=O)N2CC(=O)N[C@@H](C)C2)CC1 334793963 CSONBLPVJYMOBV-JTQLQIEISA-N 253.346 0.953 0 50 CCAA CN1C[C@@H](CNC(=O)c2ccc(O)cc2F)OCC1=O 215811148 NCGQRJWZKCXXCA-SECBINFHSA-N 282.271 0.118 0 50 CCAA Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1C 225694676 NJSODCCAJXQACU-OYBPUVFXSA-N 261.281 0.395 0 50 CCAA C[C@H]1OCCN(CCOc2ccccc2)[C@@H]1C(N)=O 285224621 PNSVBNPVARKTPL-YPMHNXCESA-N 264.325 0.640 0 50 CCAA CC(C)Cn1cc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cn1 285523485 NHEULFSZNYRLFU-ZYHUDNBSSA-N 278.356 0.733 0 50 CCAA Cc1nonc1OCCNC(=O)[C@@H](C)n1cccn1 426623143 ZTRRWUXPDYBXLX-SECBINFHSA-N 265.273 0.331 0 50 CCAA C[C@@H](C(=O)NCCc1ncnn1C)N1CCCCC1 426662634 ZXQHLNSKJGNHTM-NSHDSACASA-N 265.361 0.348 0 50 CCAA Cc1ccc(F)cc1CNC(=O)N1CCN(CCO)CC1 426728111 BBWWXJQTSFDHIV-UHFFFAOYSA-N 295.358 0.954 0 50 CCAA Cc1nnc(CN(C)C(=O)CCN2C[C@H](C)O[C@H](C)C2)o1 221378833 JNAAKAGTLSTKIO-PHIMTYICSA-N 296.371 0.836 0 50 CCAA O=C(c1ncc[nH]1)N1CCC[C@@H](c2nnc(O)o2)C1 614390662 WXIWPHAGRLIJQK-SSDOTTSWSA-N 263.257 0.518 0 50 CCAA COc1ccc(-c2cn([C@H]3C=CS(=O)(=O)C3)nn2)cn1 95384733 GZUBKXFMAUTGDI-JTQLQIEISA-N 292.320 0.832 0 50 CCAA CCn1nc(C)cc1C(=O)N1C[C@H](CO)[C@H](CN(C)C)C1 91452025 KOWYVDIKFISPAB-CHWSQXEVSA-N 294.399 0.454 0 50 CCAA Cc1ncnc(N2CCC[C@@](O)(CN(C)C)C2)c1C 95375649 BMMDVSMWCYLUNT-CQSZACIVSA-N 264.373 0.986 0 50 CCAA Cc1ccccc1[C@@H](C(=O)NCC(=O)NC1CC1)N(C)C 95507467 UVAQNIFHLAGMDF-HNNXBMFYSA-N 289.379 0.993 0 50 CCAA CN1CCC[C@H](CCC(=O)NCc2cc(=O)[nH]cn2)C1 91452177 NQPRXEZDKUAJCT-LLVKDONJSA-N 278.356 0.508 0 50 CCAA Cc1nc(N2C[C@H](C3CC3)[C@@H](N)C2)c(Cl)c(=O)[nH]1 95362023 POWGHPLLGFVSNZ-BDAKNGLRSA-N 268.748 0.905 0 50 CCAA CNC(=O)c1noc(CN(C)CCn2ccnc2C)n1 244874893 XJBVNCCQOYSBAX-UHFFFAOYSA-N 278.316 0.066 0 50 CCAA Cc1cc(CN(C)C(=O)CN2CC[C@H](N(C)C)C2)ccn1 244647058 GUJZYGWOEVYARR-HNNXBMFYSA-N 290.411 0.984 0 50 CCAA CCc1nc(CN2CCN(C[C@H](C)OC)CC2)no1 182343278 BZJRCWJYDPOULJ-NSHDSACASA-N 268.361 0.785 0 50 CCAA CC1(CNC(=O)NCC(=O)N2CCOCC2)CCCC1 183571347 BPZLMFYJXSXDDF-UHFFFAOYSA-N 283.372 0.725 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@H](C)c2ncc(C)[nH]2)c(=O)n1 534667830 AMEJBHDGVSEASJ-LLVKDONJSA-N 289.339 0.769 0 50 CCAA Nc1n[nH]c(CCNC(=O)Cc2ccc(O)c(Cl)c2)n1 534645335 AQLGTXNNGWTSIT-UHFFFAOYSA-N 295.730 0.647 0 50 CCAA CCCS(=O)(=O)NC[C@@H](C)N(C)CC1(C)COC1 822993527 DDFXJEKOGCHJRF-LLVKDONJSA-N 278.418 0.673 0 50 CCAA CC1(C(=O)N2CCC[C@@H](CN3CCCC3=O)C2)COC1 584891825 SCUFIKRNGOZOHW-LBPRGKRZSA-N 280.368 0.884 0 50 CCAA C[C@H]1CN(CC(C)(C)O)CCN1c1nccn2cnnc12 269350866 MTNJTZFETLGSKS-NSHDSACASA-N 290.371 0.406 0 50 CCAA C[C@@H]1CN(S(=O)(=O)CC2CC3(CCC3)C2)CC(=O)N1 872495856 PHWJBALRGQKKGT-SNVBAGLBSA-N 286.397 0.717 0 50 CCAA COCCNC(=O)N1CCN(C(=O)c2ccco2)C[C@H]1C 1875357612 NZWCQJDSUWAXOF-LLVKDONJSA-N 295.339 0.782 0 50 CCAA C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1nc[nH]n1 1875393850 NEAFAVNAJDFLMX-ZJUUUORDSA-N 285.373 0.052 0 50 CCAA CC1(C)C[C@H](CC(=O)N[C@H]2C[C@@H](N=c3[nH]nco3)C2)CO1 1875405344 DGTUUPYQWKZIRX-GARJFASQSA-N 294.355 0.756 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1cncnc1C 888075968 IAVIRYCHQRAQJI-CQSZACIVSA-N 292.339 0.152 0 50 CCAA C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)N[C@H]1CCC(=O)NC1=O 247226966 WNTRTDIYUQFADW-YTWAJWBKSA-N 281.356 0.169 0 50 CCAA C[C@H]1[C@@H](C)N(C)CCN1S(=O)(=O)c1cn(C)cn1 408082080 FYMBYPSQYCGJNJ-ZJUUUORDSA-N 272.374 0.133 0 50 CCAA CCOC(=O)C1(C(=O)N2C[C@H]3[C@H](O)CC[C@H]3C2)CC1 408187458 NQOXNJCSUHYIJF-HBNTYKKESA-N 267.325 0.559 0 50 CCAA CC1(C(=O)NCc2ccc(CO)c(F)c2)COC1 273079174 OZNMBRIHYJSDHX-UHFFFAOYSA-N 253.273 0.971 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1nccc(N)n1 277419891 UWBWATHHLQPUBF-UWVGGRQHSA-N 264.329 0.880 0 50 CCAA CNS(=O)(=O)CCNC(=O)c1sccc1OC 170087508 YCYACIIZGFXMRX-UHFFFAOYSA-N 278.355 0.036 0 50 CCAA CC(C)c1cnc(S(=O)(=O)C[C@@H](O)CO)n1C1CC1 170653813 KFXPJOOOVHULAV-JTQLQIEISA-N 288.369 0.468 0 50 CCAA CCc1nc(CN[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)n[nH]1 643960850 GXHMSRMYPGIUBU-UTUOFQBUSA-N 279.388 0.444 0 50 CCAA Cn1cc(CC(=O)NC2(C(N)=O)CCCCC2)cn1 195290944 AKURCJZOZFFRGL-UHFFFAOYSA-N 264.329 0.267 0 50 CCAA CC(C)(C)n1nnc(CNc2ccc(CCO)nc2)n1 657466315 FVRMOOBIFCCKGW-UHFFFAOYSA-N 276.344 0.970 0 50 CCAA O=C(O)COCC(=O)NCc1ccc2c(c1)OCCCO2 585090019 QZEYCYQBYSDADM-UHFFFAOYSA-N 295.291 0.565 0 50 CCAA COC[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)CCO1 585138686 GPMTTWDRJDANLC-LBPRGKRZSA-N 275.301 0.724 0 50 CCAA Cc1nonc1C(=O)N[C@H]1CCO[C@@H]1c1ccnn1C 794269975 HXZXPUIOBMNYFM-KWQFWETISA-N 277.284 0.372 0 50 CCAA CS(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19787709 REBXJSOXZYPTDK-UHFFFAOYSA-N 298.364 0.493 0 50 CCAA Cn1nc(C(N)=O)c2c1CCN(c1ccncc1F)C2 1506396029 FAWHLZOHUYJEHP-UHFFFAOYSA-N 275.287 0.616 0 50 CCAA O[C@@H]1CN(Cc2cnc[nH]2)C[C@H]1Cc1ccncc1 1529161256 FLSMSIYGRUUMJP-TZMCWYRMSA-N 258.325 0.840 0 50 CCAA COCC[C@@H]1COCCN1C(=O)c1cncnc1 330900925 AWHPOFUESMUSRG-LLVKDONJSA-N 251.286 0.354 0 50 CCAA CCn1cc(C(=O)NC[C@@H](CC2CC2)C(=O)O)nn1 1614949050 AEJJOVOZLCBVEJ-SECBINFHSA-N 266.301 0.529 0 50 CCAA CC(C)C(=O)N[C@H](C(N)=O)c1nnc(-c2ccco2)o1 1775975770 FQAILIQZJOXJBJ-MRVPVSSYSA-N 278.268 0.628 0 50 CCAA O=C1C[C@H]2CN(C(=O)c3cccc(-n4cnnc4)c3)C[C@H]2N1 1857668085 LWBKOEYBJLKWTA-WCQYABFASA-N 297.318 0.228 0 50 CCAA CN(C[C@H]1Cc2ccccc2O1)c1nc(C(=O)O)nn1C 1857679825 XAKPLDBYWHRGCV-SNVBAGLBSA-N 288.307 0.953 0 50 CCAA COCCC[C@@]1(CO)CN(c2cncc(C)n2)CC[C@H]1O 1875247420 VOFIWDNVKRWTEN-HIFRSBDPSA-N 295.383 0.761 0 50 CCAA NC(=O)c1cc(N2C[C@@H](O)[C@H](F)C2)nc2ccccc12 1857729690 HYKFWMIDJOVGIJ-ZYHUDNBSSA-N 275.283 0.853 0 50 CCAA CN1CC2CC1(CNS(=O)(=O)c1ccccc1O)C2 1775990409 AWELUHLBMREDRL-UHFFFAOYSA-N 282.365 0.765 0 50 CCAA CC(C)(O)[C@H](O)CN1CCC[C@H](C(=O)NC2CC2)C1 1647651422 CNNRUSXOVWJEGR-CMPLNLGQSA-N 270.373 0.109 0 50 CCAA CCS(=O)(=O)N1CCN(Cc2ccncc2)CC1 19842703 QBVIAHBQDHSYCL-UHFFFAOYSA-N 269.370 0.549 0 50 CCAA CCN1CC[C@@H](N(C)CCn2cncn2)[C@@H](C)C1 229859181 VINIXQAKHNTVQY-QWHCGFSZSA-N 251.378 0.940 0 50 CCAA O=C(C[C@H]1COCCN1)Nc1ccc2[nH]ncc2c1 128951677 HPUZDXMIAADBQV-NSHDSACASA-N 260.297 0.880 0 50 CCAA C[C@H]1CCCN(C(=O)CCn2ccccc2=O)[C@H]1CN 156952609 BHNUNENWVKGTAZ-STQMWFEESA-N 277.368 0.824 0 50 CCAA CC(C)c1noc(CN(C)C(=O)C2=NNC(=O)CC2)n1 67847451 SYBLILPYSSFAGV-UHFFFAOYSA-N 279.300 0.417 0 50 CCAA CCOC(=O)c1nccn1CCCN1CCOCC1 67982474 WGAFOUOKLLQSGK-UHFFFAOYSA-N 267.329 0.782 0 50 CCAA COCc1ccccc1CN[C@H]1CCN(S(C)(=O)=O)C1 400212419 TXZGCVQSKYGWHH-AWEZNQCLSA-N 298.408 0.957 0 50 CCAA CCSCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O 534652013 PXNNXUKEKODFQM-QMMMGPOBSA-N 257.315 0.275 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)c1cnn2c1CCCC2 647218129 WUZPFNMSZSSJOO-NSHDSACASA-N 263.297 0.909 0 50 CCAA Cn1nnnc1[C@@H]1CN(Cc2cccc3ccnn23)CCO1 2100547687 MYCWQQVKQCRAQR-ZDUSSCGKSA-N 299.338 0.431 0 50 CCAA O=C(N(CCc1nn[nH]n1)CC1CC1)C12C3C4C5C3C1C5C42 2332239478 BNJFZIZPMJJSJB-UHFFFAOYSA-N 297.362 0.349 0 50 CCAA COc1cc(OC)cc(C(=O)N2CCN(C=O)CC2)c1 317687 CSQZRULNCXREDU-UHFFFAOYSA-N 278.308 0.618 0 50 CCAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C(=O)O)N1 1871563 ZWMZDKZTZLGVRQ-GXSJLCMTSA-N 260.249 0.893 0 50 CCAA endogenous,in-man CC(C)c1ccc(NC(=O)C(=O)NCCO)cc1 2864765 FPJMNFISZJAFBC-UHFFFAOYSA-N 250.298 0.857 0 50 CCAA COC(=O)C(C(=O)OC)[C@@H](O)C(Cl)(Cl)Cl 3132233 KPYSPWSMFGNDSQ-SCSAIBSYSA-N 279.503 0.680 0 50 CCAA COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(F)cc1F 225747169 ZOEUUXMTDLNXDV-SNVBAGLBSA-N 298.245 0.078 0 50 CCAA COC[C@H](C)S(=O)(=O)NC(=O)c1ncoc1C 113698472 AZRLAQAESWVVTH-LURJTMIESA-N 262.287 0.078 0 50 CCAA COc1ccc(CN2C[C@H](N)CC2=O)c(OC)c1 57957074 UMQHWTBHVHLMBC-SNVBAGLBSA-N 250.298 0.763 0 50 CCAA O=S1(=O)C[C@@H](N2CCOCC2)[C@@]12C[C@H]1CC[C@H]2C1 101094014 WMRMKRNQLFZEAN-RVMXOQNASA-N 271.382 0.674 0 50 CCAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)C1(N)CC1 71762789 WSDRFEGHHGHQAR-JTQLQIEISA-N 250.346 0.905 0 50 CCAA CCn1ccnc1Cn1ncc(N2CCOCC2)cc1=O 23506435 FAXWLGAZVUIDCC-UHFFFAOYSA-N 289.339 0.345 0 50 CCAA Cc1nc2ccc(C(=O)N[C@H]3CCC(=O)NC3=O)cc2o1 281607078 OYZUQZWOVQNZBA-JTQLQIEISA-N 287.275 0.671 0 50 CCAA C[C@H](NC(=O)CCCn1cncn1)c1cnn(C)c1 124958959 FQXGAKQKUSKRSQ-JTQLQIEISA-N 262.317 0.669 0 50 CCAA Cn1nccc1S(=O)(=O)N1CCO[C@@H](C2CC2)C1 253430681 NDKJEAGVEKSLHH-SNVBAGLBSA-N 271.342 0.220 0 50 CCAA CC[C@@H](O)CN1CCN(c2ccnc3c2cnn3C)CC1 253430080 VNOGWRGZIPQRAQ-GFCCVEGCSA-N 289.383 0.861 0 50 CCAA Cc1nc(CC(=O)N2CCC[C@@H]2c2n[nH]c(=O)[nH]2)cs1 72478886 OVTYCRARLXOEGO-SECBINFHSA-N 293.352 0.769 0 50 CCAA O=C(NS(=O)(=O)c1cnccn1)[C@H]1C[C@@H]1c1ccco1 152325010 YZUICWWWKJNERJ-IUCAKERBSA-N 293.304 0.678 0 50 CCAA CC[C@@]1(O)CCN(c2cc(N)nc(SC)n2)C[C@H]1O 72420104 PEPFIJRARLBSHY-PRHODGIISA-N 284.385 0.493 0 50 CCAA O=C(C[C@H]1COCCN1)Nc1ccc2c(c1)OCC(=O)N2 72164330 DQIBEYDHCGJWBY-JTQLQIEISA-N 291.307 0.335 0 50 CCAA CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]2C(C)C)cn1 332025923 VALOSUYXXIWQOT-NSHDSACASA-N 297.380 0.860 0 50 CCAA Cn1ccnc1CCNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 236076942 FURGCRGKRXDPKA-VHSXEESVSA-N 265.313 0.580 0 50 CCAA C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCS(=O)(=O)C1 241173102 KGBWEYUBPHJJKM-NEPJUHHUSA-N 288.413 0.412 0 50 CCAA COC(=O)[C@H]1CCN(C(=O)N2CCSCC2)C1 334300592 UXYDJAQNPQGVBQ-VIFPVBQESA-N 258.343 0.650 0 50 CCAA COc1ccc(CCN2C(=O)N[C@]3(CCOC3)C2=O)cc1 129732399 SCYYZZMIOUCNAH-HNNXBMFYSA-N 290.319 0.949 0 50 CCAA Cc1cc(CC(=O)NCCCc2nnc(N)s2)on1 219101958 IOJZLDJOZFWHFY-UHFFFAOYSA-N 281.341 0.708 0 50 CCAA COCCN1CCN(C(=O)NCc2ccc(O)cc2)CC1 45526281 MAJGPZOFEPTKJI-UHFFFAOYSA-N 293.367 0.866 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COc1ccccc1F 286652430 CTLGDZLEYLBVKJ-SCZZXKLOSA-N 284.262 0.629 0 50 CCAA CNc1ncccc1C(=O)N1CCn2nc(CO)cc2C1 223680744 QNEXPWBSDKIGFF-UHFFFAOYSA-N 287.323 0.468 0 50 CCAA N[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 178351531 HJWPCGNRQAKOHE-PRJMDXOYSA-N 279.262 0.003 0 50 CCAA COC[C@H](C)NC(=O)c1cn(C(C)C)cc(C(=O)O)c1=O 426465136 IFVDZVKBXBZKEB-VIFPVBQESA-N 296.323 0.892 0 50 CCAA CC(=O)N1CCN(c2cc([C@H]3CCOC3)nc(C)n2)CC1 426428237 FTIYTABUXJVCBQ-ZDUSSCGKSA-N 290.367 0.957 0 50 CCAA CC[C@@H](NC(=O)CN1CCOCC1)c1ccncc1 220126110 MMAFHEKYKGIRNH-CYBMUJFWSA-N 263.341 0.981 0 50 CCAA NCCn1cc(C(=O)NCc2cccs2)nn1 89698514 KISJJYAMABJLAS-UHFFFAOYSA-N 251.315 0.228 0 50 CCAA Cc1cccn2cc(C(=O)N[C@H](C)c3nc(N)n[nH]3)nc12 426477201 KIARGHVETCZZGB-MRVPVSSYSA-N 285.311 0.834 0 50 CCAA O=C(Cn1ccnn1)NCC1CCN(C(=O)C2CC2)CC1 426525913 ACKSPNXAGRLCJK-UHFFFAOYSA-N 291.355 0.043 0 50 CCAA Cc1ncsc1CCC(=O)NCc1n[nH]c(N)n1 91952316 SQFJGZKKALWFIX-UHFFFAOYSA-N 266.330 0.401 0 50 CCAA O=C(NCc1ccon1)c1cnc(N2CCCC2)nc1 97288786 RAHFVRUGAVANAW-UHFFFAOYSA-N 273.296 0.995 0 50 CCAA CN(CCN1CCOC(C)(C)C1)c1ccc2nncn2n1 296832636 RZRNTZMNLFXUDY-UHFFFAOYSA-N 290.371 0.671 0 50 CCAA COC(=O)c1cnc(NC(=O)[C@H]2CCOC2)s1 299320043 ONYGBFDLWPWGJB-LURJTMIESA-N 256.283 0.905 0 50 CCAA CN(C)CC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299742421 HWACBFDUEAXUHD-LBPRGKRZSA-N 277.372 0.708 0 50 CCAA COC(=O)c1cn([C@H](CO)C(C)C)cc2c(=O)[nH]nc1-2 253413220 UDZGUMXJTQZTGI-SNVBAGLBSA-N 279.296 0.652 0 50 CCAA COC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3 257197456 XVCLIZUEHKUMTE-UHFFFAOYSA-N 261.281 0.548 0 50 CCAA Cc1cc(=O)c(C(=O)N(C)C[C@H]2CCCNC2)cn1C 534582618 SPOBCVCONFHVHF-LBPRGKRZSA-N 277.368 0.765 0 50 CCAA CC[C@]1(C(=O)O)CCCN(CCn2cnnc2)C1 534644801 SEOMEQRYFAZKHQ-LBPRGKRZSA-N 252.318 0.855 0 50 CCAA CCOCCC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299776572 DEQQUTZEWHYCLX-NWDGAFQWSA-N 280.328 0.377 0 50 CCAA CCOc1cccc(OCCN2CC[C@@](O)(CO)C2)c1 299792153 DRQGRNGCRRASHE-HNNXBMFYSA-N 281.352 0.893 0 50 CCAA O=C(c1cncc(=O)[nH]1)N1CCC(Cn2ccnc2)CC1 584888103 IWLPWFAQMUANMS-UHFFFAOYSA-N 287.323 0.519 0 50 CCAA C/C=C/CC(=O)N1CCC(=O)N(CCN(C)C)CC1 584886655 WFLQDBNIPFWFDU-SNAWJCMRSA-N 267.373 0.575 0 50 CCAA Cn1cnnc1CCC(=O)N1CCOC2(CCCC2)C1 584892660 CYHBIANNWNRSMV-UHFFFAOYSA-N 278.356 0.919 0 50 CCAA CC[C@@H](NC(=O)N(C)Cc1ncon1)C(=O)N(C)C 670448647 OYCBQJMSNAXHAF-MRVPVSSYSA-N 269.305 0.078 0 50 CCAA CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)C2CC=CC2)C1 685940996 NFACYNGONWVUQT-QWRGUYRKSA-N 280.324 0.390 0 50 CCAA CNc1cnc(-c2noc([C@@H]3CCc4nn[nH]c4C3)n2)cn1 952895172 RVIOZDXECZSISR-SSDOTTSWSA-N 298.310 0.959 0 50 CCAA COC(=O)c1cc(CN2CCC[C@]2(C)C(=O)O)on1 864095800 CYTOCAUSCNUCPW-GFCCVEGCSA-N 268.269 0.900 0 50 CCAA NC(=O)c1cc(NCc2ncnn2-c2ccccc2)ncn1 1163197966 XOJYLETYJIYUKG-UHFFFAOYSA-N 295.306 0.768 0 50 CCAA O=C(CCc1ccon1)N1CCC(c2nc(O)n[nH]2)CC1 1875267787 MTSLJEMBHZXKQY-UHFFFAOYSA-N 291.311 0.837 0 50 CCAA C[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(c3cnn(C)c3)C2)C1(F)F 1875392896 YZPCRXNEMOWQFU-FYBVGQRMSA-N 298.293 0.543 0 50 CCAA N[C@@H]1[C@@H](C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)[C@H]2CCC[C@@H]12 1875305485 SQAYYLUYCUXFCB-PWCLGXPMSA-N 291.395 0.487 0 50 CCAA Cc1cc(C)n(CCN2CCc3c(O)nc(O)nc3C2)n1 1875307671 JGELMLOMIFNNBL-UHFFFAOYSA-N 289.339 0.759 0 50 CCAA CC(C)CN1C[C@@H](C(=O)N[C@H]2CN(C)CC2(C)C)CC1=O 1413642779 RESGFQMUXZBTIS-STQMWFEESA-N 295.427 0.947 0 50 CCAA Cc1nc(CC(=O)N2CCOC[C@@H]2CC(=O)O)cs1 72174282 YZKMQAIROOKYNI-JTQLQIEISA-N 284.337 0.696 0 50 CCAA OC1(CN2CCC(Cn3cncn3)CC2)CCC1 408368845 ODTONVYMEKGXDL-UHFFFAOYSA-N 250.346 0.905 0 50 CCAA COc1cc(OC)nc(N[C@H](C)C[S@@](C)=O)n1 169042820 GDDLOETVYRVWNM-GJEGPGMTSA-N 259.331 0.673 0 50 CCAA CC[C@@H]1C(=O)NCCN1Cc1ncnn1C(C)C 280036890 NTHIZPLILYWJDO-SNVBAGLBSA-N 251.334 0.569 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2CCc3ncncc3C2)C[C@@H]1CN 638900239 FYMAYXUUKQLYQR-WZRBSPASSA-N 274.368 0.635 0 50 CCAA CCC1(CC)[C@@H](NC(=O)Cn2nc(C)oc2=O)C[C@@H]1OC 639969509 XTLLMKFVNZLWLX-QWRGUYRKSA-N 297.355 0.855 0 50 CCAA NC1(CC(=O)N=c2ccn([C@H]3CCNC3)[nH]2)CCC1 648048956 VBWLINFMOROESB-JTQLQIEISA-N 263.345 0.049 0 50 CCAA C[C@@H](CS(C)(=O)=O)NCC(F)(F)C(F)F 194881079 PUENEBOEFFEJIX-YFKPBYRVSA-N 251.245 0.910 0 50 CCAA COCCN1CC[C@@H](CN(C)c2n[nH]c(=N)s2)C1 1857672924 MMYSDFNAZJDPRY-VIFPVBQESA-N 271.390 0.355 0 50 CCAA COc1cnc(C)cc1C(=O)N1CC(N2CCOCC2)C1 1857676001 MSNQTKGJANCGDL-UHFFFAOYSA-N 291.351 0.555 0 50 CCAA NC(=O)[C@@H](O)CNC(=O)c1ccsc1C(F)F 935678368 AVHABHGNUSFGHX-YFKPBYRVSA-N 264.253 0.262 0 50 CCAA CC(C)n1nnnc1CN[C@H]1CCCC[C@@H]1CO 125123954 ZJEAAVOWARPBNL-MNOVXSKESA-N 253.350 0.895 0 50 CCAA O=C1C[C@@H](NS(=O)(=O)C2CC2)[C@H]2CCCCN12 252509387 YMUNFTBOICIOMV-NXEZZACHSA-N 258.343 0.222 0 50 CCAA COCC[C@H](CO)NC(=O)C[C@H](NC1CC1)C(F)(F)F 1615548872 IEHYHXKQDREQLA-ZJUUUORDSA-N 298.305 0.573 0 50 CCAA CN1CC[C@@H]2CN(C(=O)CCc3cnccn3)C[C@@H]2C1=O 1775982292 NTNYMTSDDQDKAS-YPMHNXCESA-N 288.351 0.346 0 50 CCAA O=C(c1cccc2nnnn12)N1CCC[C@H](C2(O)CC2)C1 1772818741 KIPXKDHZQXCUDF-JTQLQIEISA-N 287.323 0.501 0 50 CCAA O=C(c1onc2ncccc12)N1CCN2C(=O)OC[C@@H]2C1 1775982272 JATWAEMXZDUUTB-QMMMGPOBSA-N 288.263 0.499 0 50 CCAA CS(=O)(=O)N(CC(=O)NC1CC1)Cc1ccccc1 16275861 UFIWYDFPOYYSHD-UHFFFAOYSA-N 282.365 0.727 0 50 CCAA CC(C)[C@@]1(O)CN(C(=O)CCCN2CCOCC2)C[C@@H]1C 248159775 GFJUSMJYMSXCFP-HOCLYGCPSA-N 298.427 0.964 0 50 CCAA O[C@@H]1CN(c2cc(N3CCSCC3)ncn2)CC12CC2 375414279 JBLOQOVYEKPXMD-LLVKDONJSA-N 292.408 0.991 0 50 CCAA COc1cc(C)ccc1CN1C[C@H]2COC[C@@H](C1)C(=O)N2 1704325560 PRVOHNXFUIRPKU-KGLIPLIRSA-N 290.363 0.950 0 50 CCAA NC[C@@H]1CC(C(=O)NCC[C@H]2CCCCO2)=NO1 852885176 SHOPHYZIGDSYKN-ZJUUUORDSA-N 255.318 0.165 0 50 CCAA CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)O)CCN1 1857778239 RCTFOATVBWSHCO-BDAKNGLRSA-N 258.318 0.964 0 50 CCAA COc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OC)c1O 222734716 OVJYTUZAAWVANQ-ZYHUDNBSSA-N 281.308 0.935 0 50 CCAA C[C@](O)(CN1CCC[C@H](S(C)(=O)=O)C1)C(F)(F)F 386351782 PGZDRDZXRUIVDA-IUCAKERBSA-N 289.319 0.809 0 50 CCAA CN1CC[C@H](O)[C@H](C(=O)NC2Cc3ccccc3C2)C1 2100477964 OHXDGYBHFYGZGH-CABCVRRESA-N 274.364 0.583 0 50 CCAA CC(=O)c1cccc(-n2nnnc2SCC(N)=O)c1 617790 AYPPFYGYONTLLG-UHFFFAOYSA-N 277.309 0.442 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C)Cc2ccccc21 2325773918 ZGNQJMNFOZUIHO-GFCCVEGCSA-N 290.319 0.374 0 50 CCAA O=C(O)[C@H]1C[C@@H](O)CCN1Cc1cccc2c1OCO2 65526724 VKJMDPMIOUDWLZ-WDEREUQCSA-N 279.292 0.825 0 50 CCAA COc1ccc(-c2nc(N)n(S(C)(=O)=O)n2)cc1 616461 NKIMHPZJLHPGJR-UHFFFAOYSA-N 268.298 0.344 0 50 CCAA Cn1ncc2ncc(C(=O)NCc3nnc4n3CCC4)cc21 2356137939 BCDGGORPHFGNND-UHFFFAOYSA-N 297.322 0.436 0 50 CCAA COC[C@@]12COC[C@@H]1CN(Cc1nncn1C(C)C)C2 2356157016 AKXYUORWQZVBAM-JSGCOSHPSA-N 280.372 0.954 0 50 CCAA OCCOCCOC[C@H](O)COCc1ccccc1 4977658 NBHGNLCQKXLUAJ-AWEZNQCLSA-N 270.325 0.590 0 50 CCAA CC(C)O[C@H]1CN(C(=O)CCN2CCCCO2)C[C@@H]1O 55054700 QMLRNDXABQITSM-STQMWFEESA-N 286.372 0.401 0 50 CCAA CCCc1cc(NCCNS(C)(=O)=O)nc(C)n1 65407061 DJPBBYRMZZYOJU-UHFFFAOYSA-N 272.374 0.699 0 50 CCAA O=C(/C=C/c1ccccc1)NC(=S)NN1CCOCC1 23550164 CGJSEZMSJKPNCE-VOTSOKGWSA-N 291.376 0.938 0 50 CCAA CCCc1noc(CS(=O)(=O)[C@@H](C)[C@@H](C)O)n1 330921012 PXSCSWDFYBTPLP-SFYZADRCSA-N 262.331 0.706 0 50 CCAA CN1C[C@H](n2cnnc2)c2sccc2S1(=O)=O 65536578 BHYFZCKVVUDMQH-ZETCQYMHSA-N 270.339 0.563 0 50 CCAA O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O 391925 CYIDZMCFTVVTJO-UHFFFAOYSA-N 254.150 0.479 0 50 CCAA biogenic,in-vivo Cc1ccc(S(=O)(=O)NC[C@@H](O)C2CC2)cn1 331885140 QGNNPBNAWIANEK-LLVKDONJSA-N 256.327 0.439 0 50 CCAA O=C1OCC[C@@H]1N1CCc2c(nnn2-c2ccccc2)C1 366631382 RQSNGFRJJQDTHD-AWEZNQCLSA-N 284.319 0.941 0 50 CCAA COCCOc1cncc(C(=O)N2C[C@@H](F)C[C@H]2CO)c1 338230090 JVMKYZFGRYRTOP-RYUDHWBXSA-N 298.314 0.652 0 50 CCAA C[C@H](O)C(=O)N1CCN(Cc2ccc3cn[nH]c3c2)CC1 131639703 WWTRHLSXDFFDJT-NSHDSACASA-N 288.351 0.588 0 50 CCAA CN(C(=O)CN1CCC[C@@H](c2nc(O)n[nH]2)C1)C1CC1 377583726 HIIKERPBSKBGOH-SECBINFHSA-N 279.344 0.311 0 50 CCAA CCS(=O)(=O)[C@@H](C)C(=O)NCCCc1ccccn1 220454628 UMWWOXONHBCZPT-NSHDSACASA-N 284.381 0.954 0 50 CCAA Cc1cc(CNC(=O)N2C[C@@H](C(=O)O)C[C@@H](C)C2)n(C)n1 263363123 SLBDBJHSKCLGDO-KOLCDFICSA-N 294.355 0.981 0 50 CCAA COC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 44839047 UYFHAQMSTMWQHM-UHFFFAOYSA-N 299.348 0.635 0 50 CCAA CCC[C@@H](O)CNC(=O)CCn1cnc2c(N)ncnc21 612425354 YZKNQIZDXQTLGO-SECBINFHSA-N 292.343 0.076 0 50 CCAA CCOC(=O)[C@H]1CCCN(C[C@@H](O)Cn2cccn2)C1 178555022 WGBARWOESWCSHJ-QWHCGFSZSA-N 281.356 0.519 0 50 CCAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Cn1ccnn1 426628674 BHERVENYIKBJHF-MRVPVSSYSA-N 262.317 0.506 0 50 CCAA CN(C)C(=O)[C@H](NC(=O)CCO)c1ccccc1 223777874 AOIDNWHMVHLMRW-GFCCVEGCSA-N 250.298 0.315 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCS(=O)(=O)CC2)on1 92003902 KQXSZGHBEGDEEC-UHFFFAOYSA-N 286.353 0.744 0 50 CCAA CN(C)Cc1csc(CN2CCO[C@@H](C(N)=O)C2)c1 97698910 VNPPNHXEJZAVQV-GFCCVEGCSA-N 283.397 0.496 0 50 CCAA CN(C)C(=O)c1ccc(Cn2ncn3cccc3c2=O)o1 95364471 DPGUERCVGLDFPB-UHFFFAOYSA-N 286.291 0.839 0 50 CCAA NC(=O)c1csc(N2CCC3(CC2)OCCC[C@@H]3O)n1 91848317 HPELSBFCCYRVKF-JTQLQIEISA-N 297.380 0.752 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)CCn1cccn1 298935866 CSCVYLZBMZRHCZ-NSHDSACASA-N 264.329 0.400 0 50 CCAA CCC[C@](C)(NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)O 299748618 HRUOXJSDUQSYCL-CABZTGNLSA-N 288.369 0.667 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)[C@H]1Cc2cccc(F)c2O1 299746831 BHFKSFVWWCGPBV-GHMZBOCLSA-N 295.266 0.441 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCO[C@@H](C2CC2)C1 368888604 MMGKPWZXEXPYJW-SNVBAGLBSA-N 261.343 0.059 0 50 CCAA Cc1ccc(OCCS(=O)(=O)N[C@@H]2CCN(C)C2)cc1 823755238 SYMFQZFKPCPKGN-CYBMUJFWSA-N 298.408 0.997 0 50 CCAA O=C(c1nc(-c2cnccn2)no1)N1CC2(CC2)C1 1875269389 NLSATZXUJCMWJS-UHFFFAOYSA-N 257.253 0.763 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N1C[C@@H]2C[C@H]1C[S@]2=O 1875295950 CKNIOXOUZKNCDG-FZIOLRSQSA-N 298.393 0.575 0 50 CCAA CC[C@H](CNC(=O)c1ccc2c(n1)CNCC2)C(=O)O 1875272297 YRGSODBISCZHNN-SECBINFHSA-N 277.324 0.568 0 50 CCAA O=C(c1cnc2[nH]cncc1-2)N1CC[C@@](O)(c2cc[nH]n2)C1 1875340536 HBLKYXALMOTPSU-AWEZNQCLSA-N 298.306 0.366 0 50 CCAA CNC(=O)[C@H]1CCN(C(=O)CCCN2CCCCC2)C1 952982614 PXBAMAITAVAEJY-ZDUSSCGKSA-N 281.400 0.847 0 50 CCAA Cc1nc(C(F)(F)F)ncc1CN1C[C@H](N)[C@@H](O)C1 1565511060 VLYQWCGVAVFRIS-IUCAKERBSA-N 276.262 0.308 0 50 CCAA CC1(CCOC(=O)NCCCC[C@H](N)C(=O)O)N=N1 98052707 LUCMNTLJAFTFDU-QMMMGPOBSA-N 272.305 0.867 0 50 CCAA in-vitro C[C@H]1C[C@H](N2CCCC2)CN1C(=O)CCc1nn[nH]n1 633033396 RXGGIRPICZBDFB-QWRGUYRKSA-N 278.360 0.218 0 50 CCAA C[C@H]1CCS(=O)(=O)CCN1Cc1cnc(N(C)C)nc1 277410706 IHYAEHVPZVPYRX-NSHDSACASA-N 298.412 0.552 0 50 CCAA CNC(=O)[C@H](CO)Nc1nccc(C(F)(F)F)n1 170086203 UWNIHAOVDORDNU-YFKPBYRVSA-N 264.207 0.014 0 50 CCAA O=C(CN1CCC[C@@](O)(c2cnn[nH]2)C1)NC1CCCC1 583618020 VCTKFHZTVDDTON-AWEZNQCLSA-N 293.371 0.147 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)CCc2ccco2)C1 643995377 GDQDMIYSTFAPNW-CQSZACIVSA-N 280.324 0.441 0 50 CCAA CC(C)n1cc(NC(=O)c2cc(=O)n(C)c(=O)n2C)cn1 1529105530 FEJGMSVQBJZNBR-UHFFFAOYSA-N 291.311 0.114 0 50 CCAA CC[C@H]1C=CCN1C(=O)Cn1cc(C)c(O)nc1=O 1857685937 ARUPBOVWLKWLJN-JTQLQIEISA-N 263.297 0.434 0 50 CCAA CC(C)[C@H]1CN(Cc2cncnc2)C[C@@H]1NS(C)(=O)=O 216416860 LDLFMAPARUEBBB-OLZOCXBDSA-N 298.412 0.482 0 50 CCAA CCn1cc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)cn1 1615957017 ZZFYXEJKZPLMOZ-ZFWWWQNUSA-N 287.367 0.728 0 50 CCAA C[C@H](COc1ccccc1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772816464 RNOJEZVUMMFNDG-BPLDGKMQSA-N 277.364 0.987 0 50 CCAA COCCC(=O)N[C@@H]1CCCN(C2CCN(C)CC2)C1 14977902 YHSVOUAVKMAVMF-CYBMUJFWSA-N 283.416 0.698 0 50 CCAA COCCn1ccc(=NC(=O)N2CCOC(C)(C)[C@@H]2C)[nH]1 331169608 NJYJJXYLEZXWLT-NSHDSACASA-N 296.371 0.983 0 50 CCAA COc1ncc(NC(=O)[C@@]2(C)CCCNC2)cc1C(N)=O 237183642 RRFAJEJDUOIWCR-AWEZNQCLSA-N 292.339 0.517 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCC[C@](O)(CC(N)=O)C1 818464138 KMONOHMRBWBCID-ZDUSSCGKSA-N 265.313 0.166 0 50 CCAA Cc1cc(CN2CCCC[C@@H]2CS(N)(=O)=O)on1 931224996 DNVPFBURLNWTJH-SNVBAGLBSA-N 273.358 0.626 0 50 CCAA C[C@@H]1C(=O)N(C)S(=O)(=O)N1Cc1cccc(C(=O)O)c1 843302702 SKWFWPLSBWOXBI-MRVPVSSYSA-N 298.320 0.292 0 50 CCAA O=C(O)CCCNS(=O)(=O)c1cncc(Cl)c1 261622093 CHHXAWSIVNWGGP-UHFFFAOYSA-N 278.717 0.878 0 50 CCAA O=C(CCc1ccncc1)N1CC(O)(C(F)F)C1 425011271 PYWLERSSYCFRNB-UHFFFAOYSA-N 256.252 0.853 0 50 CCAA CO[C@H](C)c1noc(CN(C)[C@H](C)C(=O)N(C)C)n1 331316199 IYJMWRVTPOUEGT-RKDXNWHRSA-N 270.333 0.686 0 50 CCAA CC(C)NC(=O)C(=O)NCc1ccc2c(c1)OCO2 2816188 NREXRMSUAPRLTF-UHFFFAOYSA-N 264.281 0.556 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)CC[C@@H]1NC(C)=O 2100483429 SSRLIZJKVRRRIP-AVGNSLFASA-N 268.357 0.929 0 50 CCAA C/C=C/Cn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C 3984251 XAIQJAOSXDAKFQ-GQCTYLIASA-N 263.301 0.431 0 50 CCAA biogenic O=C1NCC[C@H]1N1C(=O)N[C@@]2(CCc3ccccc32)C1=O 849358008 VCWPWYKGWBYYDY-IAQYHMDHSA-N 285.303 0.268 0 50 CCAA Cn1ccc(CN2CCNC[C@H]2c2ccncc2)cc1=O 2325805144 STAMKKZECJJUCH-HNNXBMFYSA-N 284.363 0.927 0 50 CCAA Cn1c(=O)c2cnc(-c3ccccc3)nc2n(C)c1=O 103224 XZPXCUKESUDFQU-UHFFFAOYSA-N 268.276 0.694 0 50 CCAA CCOC(=O)[C@]1(c2csc(N)n2)CCC(=O)O1 226332 KINAHUOHWWUXJV-SNVBAGLBSA-N 256.283 0.821 0 50 CCAA Cc1cc(C)n(CC(=O)NC[C@@H](O)c2cccc(O)n2)n1 2356135403 CHUQEMOQPKAVJH-GFCCVEGCSA-N 290.323 0.450 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)NCc2ccc(O)cc2)C1 2356147287 POQXJQAWFWQKJJ-CHWSQXEVSA-N 264.325 0.321 0 50 CCAA Cc1nc(C)c(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)[nH]1 2356167903 IBGFLMBFANNQDK-RYUDHWBXSA-N 278.356 0.429 0 50 CCAA CC(=O)Oc1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)C1 4839503 FUADRZDEDFSATR-SNVBAGLBSA-N 297.332 0.529 0 50 CCAA CCN1C(=O)C[C@H](N2CCN(c3ccccc3)CC2)C1=O 100826238 FJDXRFCLYCJQGC-AWEZNQCLSA-N 287.363 0.956 0 50 CCAA CN(C)CCN(C)CCCNC(=O)[C@H]1CCCOC1 345429868 QWXGNXBBGBLYKM-ZDUSSCGKSA-N 271.405 0.413 0 50 CCAA CC(C)OCC(=O)N1CCC(n2cc([C@H](C)O)nn2)CC1 20210502 WNUXZWVLHPIQOE-NSHDSACASA-N 296.371 0.920 0 50 CCAA CC(C)[C@H](O)C(=O)N(C)C1CCN(c2cnccn2)CC1 366113376 UJDUVIHPPZUXED-AWEZNQCLSA-N 292.383 0.921 0 50 CCAA CC(C)(C)S[C@@H]1CS(=O)(=O)[C@@H]1S(C)(=O)=O 22204631 LTXPYUSZJNDHGF-RQJHMYQMSA-N 272.413 0.686 0 50 CCAA NCCN1C(=O)CC[C@H]2CN(Cc3c[nH]cn3)CC[C@H]21 72425509 IIWLJTLCZPBVAO-WCQYABFASA-N 277.372 0.181 0 50 CCAA C[C@@H](NC(=O)Nc1cccnn1)c1nnnn1C1CC1 252489821 KBMKXSQBRDLHDV-SSDOTTSWSA-N 274.288 0.681 0 50 CCAA CN1CC[C@H](NC(=O)CCc2cscn2)C1=O 330880589 YZSHXDSHJFTOKL-VIFPVBQESA-N 253.327 0.423 0 50 CCAA CCN1C[C@@H](C(=O)N=c2cc[nH]cc2C(C)=O)CC1=O 330987791 JJYFOBUDEMKJNA-JTQLQIEISA-N 275.308 0.513 0 50 CCAA CNC(=O)c1ccc(Cn2cnc3c(N)ncnc32)o1 328598735 OGGBAJQEVIJAFU-UHFFFAOYSA-N 272.268 0.409 0 50 CCAA O=C(c1csc(C2CC2)n1)N1C[C@H](O)C[C@H]1CO 359545399 ITVXTSNRLWPOHG-DTWKUNHWSA-N 268.338 0.588 0 50 CCAA CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2O)no1 219931272 YYYACKTXMMHCNV-PSASIEDQSA-N 254.286 0.678 0 50 CCAA Cn1cnn(CC(=O)NCCC2=CCCCC2)c1=O 154033251 ZQDPYWFWIXJSGB-UHFFFAOYSA-N 264.329 0.589 0 50 CCAA C[C@@]1(CN2CCO[C@@H](Cn3cccn3)C2)CCNC1 261979077 JBOAEILGLMLVTP-ZIAGYGMSSA-N 264.373 0.584 0 50 CCAA CCC[C@@](C)(O)C(=O)N1CCC(n2cncn2)CC1 372072575 PNJSHANAMUHWJT-CYBMUJFWSA-N 266.345 0.993 0 50 CCAA CC(C)(C)c1cc(C(=O)NC[C@](C)(O)C(=O)O)no1 262446346 VJUAGDWEFZVDAJ-LBPRGKRZSA-N 270.285 0.538 0 50 CCAA O=C1NC(=O)[C@H]2CN(c3ncccc3C(F)(F)F)C[C@@H]12 333727354 SPYUHUVUTPZYCI-KNVOCYPGSA-N 285.225 0.809 0 50 CCAA CCNC(=O)c1ccc(N2C[C@@H](C)[C@H](C(N)=O)C2)nc1 284632844 NJGKWJWEIDFGBV-MWLCHTKSSA-N 276.340 0.389 0 50 CCAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(c2ncc(F)cn2)CC1 284837899 WKZSZIGRIOFNPD-NWDGAFQWSA-N 294.330 0.723 0 50 CCAA Cn1ccc2ccc(C(=O)N3CCNC(=O)C3)cc21 40285009 LECPPXIITQKBGZ-UHFFFAOYSA-N 257.293 0.750 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 426423121 UJBTVWLOJOBXDO-NWDGAFQWSA-N 291.351 0.841 0 50 CCAA N=c1[nH]cnc2cc(C(=O)N3CC[C@@H](O)C3)ccc12 611797917 KLMHRIIDVLAGAK-SECBINFHSA-N 258.281 0.249 0 50 CCAA Cc1nonc1OCCNC(=O)[C@]1(C)CCCO1 426739929 VZBNEDPMAUXPNX-NSHDSACASA-N 255.274 0.442 0 50 CCAA Cc1nc[nH]c1CC(=O)N1CCC(c2nnc(O)o2)CC1 614473329 JMJKHEMDOGKZKJ-UHFFFAOYSA-N 291.311 0.755 0 50 CCAA COc1c2c(cc3c1OCO3)CCN(C)B(O)OC2 196229850 SFGKEIXEXLYJDR-UHFFFAOYSA-N 265.074 0.406 0 50 CCAA biogenic O=C(CN1CCCCCC1)NCCCn1ccnn1 223223969 XERCEIFQCCQVNB-UHFFFAOYSA-N 265.361 0.660 0 50 CCAA CN(C[C@@H]1COCCO1)C(=O)c1cncc(F)c1 221438332 LZLYETRIFKFLEI-LLVKDONJSA-N 254.261 0.708 0 50 CCAA CC(C)(C)[C@H](NC(=O)c1cc2ncccn2n1)C(=O)O 426491567 RECMKWHNRUJYEW-SNVBAGLBSA-N 276.296 0.958 0 50 CCAA C(Cc1nc([C@H]2CCOC2)no1)CN1CCOCC1 96151516 HFVVCTMMDQFUQM-NSHDSACASA-N 267.329 0.838 0 50 CCAA Cc1nc(N)cc(N2CCN(CCN3CCCC3)CC2)n1 91915425 JZUDUEDYYYEMKZ-UHFFFAOYSA-N 290.415 0.585 0 50 CCAA Cc1sc(-n2cnnn2)c(C(=O)N2CCOCC2)c1C 524734267 OBBPADAEFHCBBY-UHFFFAOYSA-N 293.352 0.813 0 50 CCAA Cc1cccnc1NCCNC(=O)[C@H](C)Cn1cncn1 244601725 DRASBBQHPPIUGE-GFCCVEGCSA-N 288.355 0.846 0 50 CCAA CN(C)C1(CNC(=O)c2cncc(=O)[nH]2)CCCC1 534586705 SGIJKDMYLQKQBC-UHFFFAOYSA-N 264.329 0.374 0 50 CCAA Cn1cc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)nn1 536952198 NVYFDMPOXKRXCY-WCBMZHEXSA-N 268.317 0.510 0 50 CCAA CN(C)CCN1CC(=O)Nc2ccc(F)cc2C1=O 534646004 KQVJXZZXHRFMMQ-UHFFFAOYSA-N 265.288 0.782 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N1C[C@@H]2CC[C@H]1CNC2 534639398 MXYLFVZGUQITCR-ZJUUUORDSA-N 264.329 0.177 0 50 CCAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCc1noc(C)n1)C2 534675007 GOPXQCAVWVYGPO-IAZYJMLFSA-N 280.328 0.944 0 50 CCAA Cc1c[nH]c(CN(C)C(=O)CN2C[C@H](C)O[C@H](C)C2)n1 299793660 JHQTXCZHTABWHO-TXEJJXNPSA-N 280.372 0.786 0 50 CCAA Cc1cc(C)c(CCNC(=O)NC[C@H](O)CO)c(C)c1 584900647 WMNFJLYHTDOKDL-ZDUSSCGKSA-N 280.368 0.807 0 50 CCAA COCCN1CC[C@@H](Cn2cnc3cnccc3c2=O)C1 584890507 VSKMQTNBNQBOKM-GFCCVEGCSA-N 288.351 0.760 0 50 CCAA CCOC(=O)N1CCC(N[C@H]2CN(C)C[C@@H]2OC)CC1 823241642 YKZNZFANURWKIG-STQMWFEESA-N 285.388 0.526 0 50 CCAA COCCN1CC[C@@H](CN(C)S(=O)(=O)C(C)C)C1 952873524 YAOLJGXCCAFEOF-LBPRGKRZSA-N 278.418 0.625 0 50 CCAA C=CC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 1875367358 KZMWCKGBKPBJFV-NSHDSACASA-N 280.349 0.752 0 50 CCAA COC(=O)c1ccc(C(=O)NC2(CO)CC(C)C2)nc1 1875312111 HQXYHGGEWGYVPP-UHFFFAOYSA-N 278.308 0.759 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)CCCn1cccn1 1565510494 ZJTMLPWFRODATD-RYUDHWBXSA-N 276.340 0.600 0 50 CCAA COc1ccc(F)cc1CC(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 408473653 GGQHUJIDONHDEM-BXKDBHETSA-N 294.326 0.957 0 50 CCAA COc1ccccc1CNC(=O)[C@H](C)ONC(=O)N(C)C 585122855 CCBVUAJKZMHOLJ-JTQLQIEISA-N 295.339 0.903 0 50 CCAA CN(C)c1n[nH]c(CNC(=O)N2C[C@H]3COC[C@]3(C)C2)n1 637789830 ZLSFEABCUDTEOM-ZANVPECISA-N 294.359 0.049 0 50 CCAA CN(CCc1ccccn1)C(=O)c1nc[nH]c1C(=O)O 88653521 GWQPXSWDKWFLSK-UHFFFAOYSA-N 274.280 0.818 0 50 CCAA Cc1nc2ncccn2c1C(=O)N[C@H]1CC[C@H](N)C1 216705067 KIFJUFWVTKJQCD-UWVGGRQHSA-N 259.313 0.647 0 50 CCAA NC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(F)cc1 1616054273 VCENUKPRTATMIQ-LPEHRKFASA-N 280.255 0.189 0 50 CCAA Cc1cnnc(N2CCO[C@@H](C(=O)N(C)C)C2)c1C 1857682752 RMIKRHVXNMFLQK-LLVKDONJSA-N 264.329 0.387 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N2CC[C@@H](N)C[C@@H]2C)c1 236722491 NEDPZBDSCWGHKY-WDEREUQCSA-N 286.401 0.964 0 50 CCAA Cc1nn(C)c(=O)c(C(=O)N2CCCc3n[nH]cc32)c1C 333260623 GCRKVZVXZVGUMO-UHFFFAOYSA-N 287.323 0.713 0 50 CCAA C[C@H](CN(C(=O)c1nccnc1N)C1CC1)C(=O)O 237376773 ZCTLAYRCFYTOEA-SSDOTTSWSA-N 264.285 0.384 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1ccc(-n2cnnc2)cc1 238084196 RUSAHFUVQWFEQA-GFCCVEGCSA-N 286.291 0.957 0 50 CCAA CCC1(C(=O)N2CCN([C@H]3CCNC3)CC2)CCOCC1 367360238 GEXCBONVMDGUBN-AWEZNQCLSA-N 295.427 0.699 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CN(CCCc2cncn2C)C1 594015298 IGRYFXOROOXWFG-YPMHNXCESA-N 281.356 0.209 0 50 CCAA Cc1nn(C)c(C)c1CN1C[C@H]2COC[C@@H]1CN(C)C2 1704311997 WTWPSVOJJBNBNR-KBPBESRZSA-N 278.400 0.799 0 50 CCAA CO[C@H](C)C(=O)N[C@@H](c1nc(=O)o[nH]1)C(C)(C)C 911587111 ORNULDHJQHNUMN-RQJHMYQMSA-N 257.290 0.601 0 50 CCAA O=C(NCCCO)c1cc(Br)cc2nn[nH]c12 2325700754 XUKVYWCPGTVBFI-UHFFFAOYSA-N 299.128 0.833 0 50 CCAA CC1=C(C(N)=O)[C@H](c2ccc(F)cc2)N2NC=NC2=N1 71206 RAOVOPWUIQZQRI-NSHDSACASA-N 273.271 0.844 0 50 CCAA CS(=O)(=O)NCCc1c[nH]c2cccc(O)c12 1857799612 OKLDQNMQRVXBJE-UHFFFAOYSA-N 254.311 0.965 0 50 CCAA COC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1 437794 VTLGXNVPLNSKMG-UHFFFAOYSA-N 297.296 0.389 0 50 CCAA CCOc1cccc(Cn2nnc3c(cnn3C)c2=O)n1 342484330 GMAWWJPMPJIWBW-UHFFFAOYSA-N 286.295 0.367 0 50 CCAA Cc1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1C 970579 LDUDTPLDFANQSX-NEPJUHHUSA-N 255.339 0.873 0 50 CCAA O=C(O)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 1529648 OVEAWSPZRGBTSS-LLVKDONJSA-N 290.275 0.755 0 50 CCAA endogenous,in-man CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1O 4027518 VVSWDMJYIDBTMV-WNWFYDSVSA-N 282.292 0.194 0 50 CCAA biogenic,in-vitro Cn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3)n(C)c1=O 4316648 RNLROTUSFHSLKS-UHFFFAOYSA-N 290.327 0.261 0 50 CCAA COC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 4868889 TYTLSCRMEATUEA-UHFFFAOYSA-N 261.274 0.619 0 50 CCAA CC1(C)O[C@H]2[C@H](CN)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 8700302 AVTBCTQHGBMWTA-RXKWGBCNSA-N 259.302 0.342 0 50 CCAA Cn1cc([C@@H]2CN(c3ncnc4[nH]ccc34)C[C@H]2CO)cn1 225518204 HIPZZVWBABUMLX-AAEUAGOBSA-N 298.350 0.904 0 50 CCAA O=c1[nH]c(=O)c2ccc(I)cc2[nH]1 26894335 USQDOSUQXJGECF-UHFFFAOYSA-N 288.044 0.821 0 50 CCAA C[C@@H](CCc1ccccc1)NC(=O)c1cn(CCN)nn1 77407226 WAZNWMFQBPKTCS-LBPRGKRZSA-N 287.367 0.988 0 50 CCAA CN(C)c1nccc(CN2C[C@@H](CO)OC(C)(C)C2)n1 421363821 QUPVLQWGRDTYCE-LBPRGKRZSA-N 280.372 0.514 0 50 CCAA CCOC(=O)CCNC(=O)[C@H]1CCCCCN1C 65370303 IOSJJLNDZYVZNX-LLVKDONJSA-N 256.346 0.930 0 50 CCAA C[C@@H]1C[C@@H](N2CCO[C@@H](CNc3cccnn3)C2)C(=O)O1 229826797 FFTHIJYKCJBAMJ-GRYCIOLGSA-N 292.339 0.293 0 50 CCAA Cc1nc(CN)cc(NCCCN2CCCC2=O)n1 67981840 LNJFZKCGYSAIMP-UHFFFAOYSA-N 263.345 0.668 0 50 CCAA COc1ncc(Cl)c(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 284567980 MWNSZOWIIBYSAW-BDAKNGLRSA-N 297.746 0.741 0 50 CCAA NCc1cc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)ccn1 231793440 SOGABXJPYHTATD-CABCVRRESA-N 283.331 0.928 0 50 CCAA O=C(NCc1ccc(Cl)cc1)N1CC[C@H](O)[C@@H](O)C1 72472850 WJPJNUXILJZSBF-RYUDHWBXSA-N 284.743 0.977 0 50 CCAA CCN(Cc1cccc(C(=O)O)c1)[C@H]1COC[C@@H]1O 216000687 UIYFCTRLOXDNIG-STQMWFEESA-N 265.309 0.966 0 50 CCAA CCCCO[C@H](C)C(=O)N1CCO[C@@H](c2nncn2C)C1 328624367 JUKAPQXLRLCXHO-VXGBXAGGSA-N 296.371 0.920 0 50 CCAA O=S1(=O)CCC(O)(Cn2cc(-n3cccc3)cn2)CC1 332077758 GZRWTAOALMYMBY-UHFFFAOYSA-N 295.364 0.614 0 50 CCAA Cc1nc2ccc(C(=O)NCCNS(C)(=O)=O)cc2o1 216080590 GVQDPGPUYSOKBZ-UHFFFAOYSA-N 297.336 0.415 0 50 CCAA C[C@H](O)C(=O)N(C)Cc1nc(-c2ccncc2)no1 77378395 DTDZOBVBIMTQQO-QMMMGPOBSA-N 262.269 0.471 0 50 CCAA COc1ccc2[nH]nc(CN3CCC[C@@](O)(CO)C3)c2c1 72410009 WWGRWAXQLWIIJW-HNNXBMFYSA-N 291.351 0.891 0 50 CCAA Nc1cc(O)nc(CCNC(=O)Cc2cccc(F)c2)n1 222581339 HIHQTVWFIJFLOR-UHFFFAOYSA-N 290.298 0.805 0 50 CCAA O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1Cc1ccccc1 229784874 ZXGNECSWSPLTJY-FOCJUVANSA-N 285.299 0.488 0 50 CCAA CN(CC(=O)N[C@@H]1CCOC[C@H]1O)C1CCCC1 222698023 WUPGGLHQVNBWHI-VXGBXAGGSA-N 256.346 0.127 0 50 CCAA O=c1nc(C2CCN(S(=O)(=O)c3ccco3)CC2)[nH][nH]1 294697547 UFGGKZOGBKCJAL-UHFFFAOYSA-N 298.324 0.259 0 50 CCAA Cn1c(C2=CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 96163921 KFRVLALWWXLKLR-UHFFFAOYSA-N 260.297 0.918 0 50 CCAA CCCn1ncc(C(=O)NC[C@]2(O)CCCNC2)c1C 91289559 WXAIEOIFQVPPEN-AWEZNQCLSA-N 280.372 0.446 0 50 CCAA CCc1nccn1CCN1CCO[C@H](CCN)C1 243893552 ASAPWMIHMJNPBY-GFCCVEGCSA-N 252.362 0.495 0 50 CCAA O=C(O)CCNC(=O)c1cccc2c1OCC(=O)N2 299749519 KONIMLKLELADEF-UHFFFAOYSA-N 264.237 0.222 0 50 CCAA O=C1CC[C@H](n2cc(Br)cn2)C(=O)N1 2325900627 CFUCLJIOSMCTCA-LURJTMIESA-N 258.075 0.623 0 50 CCAA CC(C)[C@@H](C(=O)NCCC(=O)O)N1C[C@H](C)O[C@H](C)C1 299748605 HQZMNIJYSIZXDC-LOWVWBTDSA-N 286.372 0.711 0 50 CCAA COCCN(CC(=O)O)C(=O)C[C@@H]1CCCOC1 534669745 XRNUQAMTTNSGOC-JTQLQIEISA-N 259.302 0.363 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)CC(=O)N2)C1 211341121 XIWXXFOVFFAQNF-CYBMUJFWSA-N 268.313 0.845 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)c1ccc(N)nc1 299784011 YKCIVYXDNQSZOK-SECBINFHSA-N 290.327 0.393 0 50 CCAA CC(C)[C@@H](NC(=O)CCCn1cncn1)c1ncnn1C 299763073 YGONOSSDRQNGMG-GFCCVEGCSA-N 291.359 0.700 0 50 CCAA Cc1ncccc1C(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299796091 OCKLOFAZMOBUKX-KBPBESRZSA-N 299.334 0.968 0 50 CCAA COc1cc(N2[C@H]3CC[C@@H]2CCN(C)C3)nc(N)n1 717399077 RLFAKFMMRMCFDR-ZJUUUORDSA-N 263.345 0.740 0 50 CCAA CCCCn1nc(CC(N)=O)nc1-c1ccnn1CC 822888884 QEMQHNZWOIOVIL-UHFFFAOYSA-N 276.344 0.989 0 50 CCAA CC(C)(O)Cn1nc(-c2ccco2)nc1C1(C(N)=O)CC1 826828652 JFSTYWXUIHQLOS-UHFFFAOYSA-N 290.323 0.826 0 50 CCAA CS(=O)(=O)NCc1ncnn1-c1cccc2c1CCC2 824864481 STPLMSWIGAZKRJ-UHFFFAOYSA-N 292.364 0.805 0 50 CCAA Cn1cccc1CCn1cnc2nccnc2c1=O 584903304 QZCTYDZTRHZFKK-UHFFFAOYSA-N 255.281 0.768 0 50 CCAA CN(CC1CCN(CCO)CC1)C(=O)c1cncnc1 584892737 IRLRKQMJFSZQML-UHFFFAOYSA-N 278.356 0.253 0 50 CCAA Cc1nccn1C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 584892293 CNIMHZLUYLTDPF-LBPRGKRZSA-N 289.343 0.117 0 50 CCAA COCC1(CC(=O)N[C@H]2Cc3cccnc3NC2=O)CC1 952884115 YBPATGIWCPQCFQ-NSHDSACASA-N 289.335 0.878 0 50 CCAA CC(C)S(=O)(=O)N1CCC(CNC(=O)C2CC2)CC1 952974139 LGYLNSWEJZXGFI-UHFFFAOYSA-N 288.413 0.963 0 50 CCAA NC(=O)CN1CCC[C@H](C(=O)N2Cc3ccccc3C2)C1 952984113 OFPWYRBBGCEPJU-AWEZNQCLSA-N 287.363 0.726 0 50 CCAA Cc1nc(Cl)cc(N2C[C@@H](CO)C[C@H]2CO)n1 1776007155 UBTOHVPCLSPEPF-IUCAKERBSA-N 257.721 0.618 0 50 CCAA CN(C)C[C@H]1COC2(CCCC2)CN1Cc1cnn(C)n1 877871111 KWOLELVEAGTXTI-AWEZNQCLSA-N 293.415 0.890 0 50 CCAA C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1C)[C@H]1C[C@H]2CC[C@H]1C2 1775985183 XFRUIFKUJXGGGI-LEOWZXHUSA-N 294.395 0.765 0 50 CCAA O=C1[C@@H](N[C@H]2CCc3ncnn3C2)CCN1c1ccccc1 109329186 SSEDSOUIDUOFAH-JSGCOSHPSA-N 297.362 0.988 0 50 CCAA C[C@H](CO)NC(=O)[C@@]1(C)Oc2ccccc2NC1=O 630728566 VSJRQQAAXYMXMY-AMIZOPFISA-N 264.281 0.273 0 50 CCAA NC(=O)C1(NCc2ccccc2F)CCOCC1 170088993 YUSIXNPSUAMCEG-UHFFFAOYSA-N 252.289 0.950 0 50 CCAA C[C@H](CN(C)S(=O)(=O)Cc1ccccc1)c1nnn[nH]1 170598976 SUGSOIOQDWLSMJ-SNVBAGLBSA-N 295.368 0.765 0 50 CCAA CN1CC[C@@H](C(=O)NCCN2CCOCC2(C)C)CC1=O 170863685 SAPFRCXNRLIAAU-GFCCVEGCSA-N 297.399 0.082 0 50 CCAA CS(=O)(=O)CCCC(=O)N(CCC(=O)O)CC1CC1 678976679 WFGRWVCJAZAFPG-UHFFFAOYSA-N 291.369 0.525 0 50 CCAA Cc1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2C(=O)O)c1 685940266 BCDJLIRFGHUHNR-NXEZZACHSA-N 283.305 0.521 0 50 CCAA O=C(O)Cn1ccc(NC(=O)c2cnn3c2CCCC3)n1 190941318 FVAKXIXLTUSXQH-UHFFFAOYSA-N 289.295 0.753 0 50 CCAA O=C1NC(=O)[C@@]2(CCCN(Cc3cnn4ccccc34)C2)N1 193471898 FTGGJORJDVYTGZ-HNNXBMFYSA-N 299.334 0.508 0 50 CCAA N[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2O)C1 662404141 KXBSFIHZJQGCEE-JTQLQIEISA-N 290.298 0.890 0 50 CCAA OC[C@H]1CN(Cc2ccnn2-c2ccncc2)CCO1 667620568 IANLERDPJOEZQU-CQSZACIVSA-N 274.324 0.460 0 50 CCAA C[C@](O)(CCCO)CNc1cc(C(N)=O)ccn1 1506408180 CDVUXSZBKFTYNY-LBPRGKRZSA-N 253.302 0.116 0 50 CCAA CN1CCC[C@H](CN(C)C(=O)c2cnns2)C1 115437101 XOKJDWDXVMZEHA-VIFPVBQESA-N 254.359 0.952 0 50 CCAA CC1(C)[C@@H](O)C[C@H]1NC(=O)C(C)(C)S(C)(=O)=O 129256941 UCMFNOVYBZGJRP-SFYZADRCSA-N 263.359 0.085 0 50 CCAA Cc1ccnc2nc(C(=O)NN3CCSCC3)nn12 1875313222 ZWSWHMCMSDMJEG-UHFFFAOYSA-N 278.341 0.126 0 50 CCAA C=CC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 1875366504 QHONTZJZOYPBDB-GFCCVEGCSA-N 266.341 0.802 0 50 CCAA O=C(NCc1cccc2c1OCC2)[C@]12CNC[C@H]1COC2 1615546533 LVIDSEGPQXWSBJ-BBRMVZONSA-N 288.347 0.474 0 50 CCAA Cc1cc(C[C@H]2CN(Cc3cncnc3)C[C@@H]2O)on1 1615735732 PGGVMPNEWKXONG-JSGCOSHPSA-N 274.324 0.808 0 50 CCAA C[C@@H]1SCCn2c(CN(C)S(C)(=O)=O)nnc21 1775983177 IGISFNWMHIUNQI-ZETCQYMHSA-N 276.387 0.477 0 50 CCAA CC[C@@]12COC(=O)N1CCN(C(=O)c1c[nH]c(=N)s1)C2 1857680393 ICYFGDRCPOYNNV-GFCCVEGCSA-N 296.352 0.612 0 50 CCAA O=C([C@H]1CCc2ncnn2C1)N1CC(c2ccncc2)C1 1875245292 TVIABXANCTZCCI-LBPRGKRZSA-N 283.335 0.862 0 50 CCAA C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)O 1576305 BZNDDHWTEVCBAD-BQBZGAKWSA-N 260.290 0.489 0 50 CCAA in-vitro Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)O 262523331 RCPIZMBFJFRPEJ-GZMMTYOYSA-N 295.339 0.452 0 50 CCAA C[C@@]12CN(c3ccc(C(=O)O)cn3)C[C@]1(C)C(=O)NC2=O 900989644 AYWLLNXKHBUSET-OKILXGFUSA-N 289.291 0.269 0 50 CCAA COC(=O)CCS(=O)(=O)NC(=O)c1sccc1F 842355330 GWAKMZWHLDWKCU-UHFFFAOYSA-N 295.313 0.510 0 50 CCAA CC(=O)N1CCO[C@@H](C(=O)Nc2c3c(nn2C)CCC3)C1 930591677 KLRCZGZJQIIBMT-GFCCVEGCSA-N 292.339 0.095 0 50 CCAA CC(C)[C@@]1(C)NC(c2ncc(C(=O)O)cc2O)=NC1=O 1857784520 HSZSMTXJHICIFJ-CYBMUJFWSA-N 277.280 0.777 0 50 CCAA C[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)CCC1=O 275316382 ZPJDAULACZTBNC-MRVPVSSYSA-N 291.336 0.775 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)c3ncccc3O)[C@@H]2C1 285070799 RLXBLCHNFGPTCN-ZYHUDNBSSA-N 277.324 0.332 0 50 CCAA CC(C)C[C@H](CN)NS(=O)(=O)C[C@H]1CCCCO1 178959765 LVJXNNUDKIGGIK-VXGBXAGGSA-N 278.418 0.848 0 50 CCAA CSc1nc(N)cc(=NCCN2CCCCC2=O)[nH]1 405370853 PIEXZTHWFRQSED-UHFFFAOYSA-N 281.385 0.627 0 50 CCAA O=C(O)C(=O)N1CCC[C@@H](NCc2ccccc2)C1 368139283 OPQFARHWOYISIE-GFCCVEGCSA-N 262.309 0.852 0 50 CCAA C[C@]1(O)CCN(C(=O)c2cncc(Cl)c2)C[C@H]1O 1565508915 QXHLRCQOZALDCS-PWSUYJOCSA-N 270.716 0.693 0 50 CCAA Nn1cnn2c(SCC(=O)c3ccccc3)nnc12 36437 SKLXSLKXFLUQOF-UHFFFAOYSA-N 274.309 0.615 0 50 CCAA CC1(C)CC(CO)(CNC(=O)[C@H]2CCNC(=O)C2)C1 2325783930 LUPNXORQRZDFBF-JTQLQIEISA-N 268.357 0.428 0 50 CCAA Cc1noc(CCCC(=O)N2C[C@@H]3COCC[C@]3(N)C2)n1 2325809158 KWGLUGGUBUXVDO-RISCZKNCSA-N 294.355 0.277 0 50 CCAA CC(=O)N1CC(C(=O)N2CC[C@H](Cc3ccnn3C)C2)C1 2325810685 XTXSHJCGROVYNX-GFCCVEGCSA-N 290.367 0.289 0 50 CCAA COc1cc(CNC[C@H]2CCCO2)ccc1OCC(N)=O 576461 YEIVQSLKHHTXFG-GFCCVEGCSA-N 294.351 0.828 0 50 CCAA CCCCC(=O)N[C@]1(C(F)(F)F)NC(=O)N(C)C1=O 2872074 BSRGHZHEFCYWQE-VIFPVBQESA-N 281.234 0.733 0 50 CCAA O=C(c1ccc2c(c1)OCO2)N1C[C@H]2COC[C@@]2(CO)C1 2356163405 BMTFQKARXQJJID-NHYWBVRUSA-N 291.303 0.496 0 50 CCAA CCOc1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1 4196919 NDZSXLUYOGYJKM-LBPRGKRZSA-N 277.324 0.502 0 50 CCAA Cc1nc(C2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)n[nH]1 215247631 ALXJAAJECIAUEZ-UHFFFAOYSA-N 276.300 0.149 0 50 CCAA CO[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC(=O)N1C 408167342 XMUBMNASDOVJLI-DCAQKATOSA-N 254.330 0.681 0 50 CCAA C[C@@]1(C(=O)NC2CCS(=O)(=O)CC2)CCCNC1 62854383 FYSNIKOVZGIFAO-GFCCVEGCSA-N 274.386 0.070 0 50 CCAA O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@@H]1C[C@H](O)CN1 151478667 NQMGKKADPNMCKE-SRVKXCTJSA-N 284.743 0.212 0 50 CCAA COc1cc(N2CCC[C@H](CNC(C)=O)C2)nc(N)n1 32590332 KLFQNEXBCIWIEM-SNVBAGLBSA-N 279.344 0.420 0 50 CCAA COC(=O)c1cc(S(=O)(=O)N[C@H]2CCNC2)oc1C 123221911 XXAKCXXGSHNBJF-QMMMGPOBSA-N 288.325 0.015 0 50 CCAA CC(C)Cn1ncnc1CS(=O)(=O)[C@H](C)[C@@H](C)O 330736094 WTHSUDWNZJRYLK-NXEZZACHSA-N 275.374 0.618 0 50 CCAA COc1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c(C)c1 72131871 NFRGJHRIERJKJL-BXUZGUMPSA-N 279.336 0.819 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2ccnc(NC)c2)C[C@H]1O 77504985 HINUSQUTYXVZHC-BXUZGUMPSA-N 279.340 0.471 0 50 CCAA O=c1cc(N2CCC[C@@](F)(CO)C2)nc2ccccn12 368617447 HKOPRDBRBKCISY-AWEZNQCLSA-N 277.299 0.995 0 50 CCAA CSc1ccc(C(=O)NCc2noc(C(N)=O)n2)cc1 219405972 QLHQZFIRKHCZPD-UHFFFAOYSA-N 292.320 0.820 0 50 CCAA COCc1nc(CN2CC(C)(C)O[C@]3(CCOC3)C2)no1 369869051 WZNNWTPNVINQFM-CQSZACIVSA-N 297.355 0.986 0 50 CCAA O=C(NC[C@@H]1CNC[C@@H]1O)[C@@H]1CCc2ccccc21 262360436 VCHHNJLTARDVEC-YUTCNCBUSA-N 260.337 0.413 0 50 CCAA CCn1nccc1S(=O)(=O)N[C@@H](C(=O)O)C(C)C 262477638 VFZBRFOOMIURRW-SECBINFHSA-N 275.330 0.291 0 50 CCAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccsc1 218518305 FEBQJVKZNDZEAW-ZJUUUORDSA-N 285.321 0.737 0 50 CCAA CCOC[C@@H]1CCCN(C(=O)[C@@H]2CNCCO2)C1 236969859 JWZGANRZUDVWLV-NEPJUHHUSA-N 256.346 0.250 0 50 CCAA Cc1cc(=O)cc(C(=O)N[C@@H](C(=O)O)C(C)C)o1 426386243 BMKBSGSLPMBVRW-SNVBAGLBSA-N 253.254 0.787 0 50 CCAA CC(C)n1cnnc1CCNC(=O)[C@H](C)n1ccnc1 426657107 ZEKKQZZYUNDOTI-NSHDSACASA-N 276.344 0.975 0 50 CCAA CC[C@H](O)CCNS(=O)(=O)c1cnn(C)c1C 291609189 ATTSDALQOCYMRW-VIFPVBQESA-N 261.347 0.168 0 50 CCAA CCO[C@H]1CN(Cc2cccc3nonc23)C[C@@H]1O 223888260 DBXQYQWBESSQFE-RYUDHWBXSA-N 263.297 0.804 0 50 CCAA Nc1nc(=NCCc2cnccn2)cc([C@H]2CCOC2)[nH]1 426424443 ZUHZPXLLYUCHLC-JTQLQIEISA-N 286.339 0.429 0 50 CCAA CN1CCCC[C@H]1CC(=O)NCCc1cc[nH]n1 426394617 OVJLABVOGWMUOC-LBPRGKRZSA-N 250.346 0.943 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1n[nH]c2c1CCC2 426430741 NLNQQSZWRNEWGK-STQMWFEESA-N 290.367 0.491 0 50 CCAA COC(=O)C1=C(C(=O)OC)[C@@]2(C)C=C(C)[C@H]1[C@H](C)C(=O)N2 230109263 SGHYDAIDDABXKS-KOSWAMCASA-N 293.319 0.730 0 50 CCAA Cc1nc(-c2cccc(-n3cnnc3)c2)n(CCO)n1 96136995 OKSDKZRBHDMOFN-UHFFFAOYSA-N 270.296 0.827 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N(C)CCn1cccn1 97551331 HRLXRALTGRTDIQ-UHFFFAOYSA-N 288.355 0.820 0 50 CCAA Cc1nonc1OCCn1cc([C@@H]2CCCNC2)nn1 95386071 AKCMSJDCXYTPDX-SNVBAGLBSA-N 278.316 0.516 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1C1CC1 91351120 FDFQNWATTDJJPJ-NWDGAFQWSA-N 277.324 0.842 0 50 CCAA C(Cc1nc([C@@H]2CCOC2)no1)CN1CCOCC1 96151515 HFVVCTMMDQFUQM-LLVKDONJSA-N 267.329 0.838 0 50 CCAA Cc1cc(C(=O)NCCc2cc(=O)[nH]cn2)c(=O)[nH]c1C 91817989 MWVFRZQVOPWJBC-UHFFFAOYSA-N 288.307 0.048 0 50 CCAA CC(C)(C)[C@H]1OCCC[C@@H]1CN=c1[nH]c(=N)[nH]c(=N)[nH]1 623981815 WDFJIYHXJCJZBX-BDAKNGLRSA-N 280.376 0.372 0 50 CCAA CO[C@@H]1[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H](OC)[C@@H]1O 252438246 KCXVHILKGUDBTH-SPJHXALWSA-N 296.319 0.848 0 50 CCAA CN1C[C@@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O 604419500 BFODTSXBHWCRRD-ZETCQYMHSA-N 280.353 0.584 0 50 CCAA CCCCO[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)O 299751551 QYWOHCXJGIQRFA-NXEZZACHSA-N 259.302 0.504 0 50 CCAA CC(C)(C)c1nc(N2C[C@H](F)C[C@H]2C(N)=O)no1 299741596 GRHRSWLMYGVGSR-RQJHMYQMSA-N 256.281 0.769 0 50 CCAA CC(C)C[C@@H](NC(=O)CS(C)(=O)=O)c1ncnn1C 534675560 XRSAQKSDFHQFIG-SECBINFHSA-N 288.373 0.063 0 50 CCAA Cc1ccc2nc(CNC(=O)CCCn3cnnn3)cn2c1 299784874 JVOHXAGWUCRXKV-UHFFFAOYSA-N 299.338 0.726 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)CCc2ccc(C)cc2)CN1 299780271 UGSKKCDMNWXQJG-KGLIPLIRSA-N 290.363 0.947 0 50 CCAA C[C@@H](CN1CCN(C)CC1)NCC1(Cn2ccnc2)CC1 823789488 WLNIBGHPTLGRJG-HNNXBMFYSA-N 291.443 0.889 0 50 CCAA O=C1CCc2c1cccc2C(=O)NC[C@@]1(O)CCCNC1 584887245 VTRZNVNKRSXDGT-MRXNPFEDSA-N 288.347 0.660 0 50 CCAA CN1CCO[C@@H](CNc2ccc(-c3nccn3C)nn2)C1 584898942 GNTXPPIOCNQXJM-NSHDSACASA-N 288.355 0.620 0 50 CCAA O=c1c2cc(F)ccc2ncn1C[C@@H](O)CN1CCCC1 584888016 KCDKVEVVUQOIIV-LBPRGKRZSA-N 291.326 0.992 0 50 CCAA CCCO[C@@H](C)C(=O)NCCN1CCCCC1=O 670434376 IJVZFOLPCAATHB-NSHDSACASA-N 256.346 0.930 0 50 CCAA OCC[C@@H]1CN(c2ncc(F)cn2)CCN1CC1CC1 670448483 NGPDIWPJSNQLEH-CYBMUJFWSA-N 280.347 0.899 0 50 CCAA O=C(c1cccc(N=c2nn[nH][nH]2)c1)N1C[C@H]2CC[C@H]2C1 1875271834 QMKZNERLQJQCHE-PHIMTYICSA-N 284.323 0.847 0 50 CCAA CC(C)n1cc([C@H]2C[C@@H]2C(=O)NCc2nc(O)n[nH]2)cn1 1875332711 GBFULAUTGAXKJV-ZJUUUORDSA-N 290.327 0.708 0 50 CCAA CCc1nc([C@@H]2COC[C@@H]2N=c2cncc[nH]2)n[nH]1 1875399226 SCSHBQBIZUPZSO-BDAKNGLRSA-N 260.301 0.174 0 50 CCAA CN(C)c1ncc(/C=C/C(=O)NCc2cc[nH]n2)cn1 952978686 RMHXCICQWODWAP-ONEGZZNKSA-N 272.312 0.595 0 50 CCAA O=C(C[C@@H]1CCCO1)N1CCCC[C@@H]1Cc1nn[nH]n1 1775987584 DXWQQGFWKMWXTG-MNOVXSKESA-N 279.344 0.692 0 50 CCAA CCN(CCC(=O)O)S(=O)(=O)c1cnn(C)c1C 394155647 ZSFTZDADCXMXHJ-UHFFFAOYSA-N 275.330 0.214 0 50 CCAA O=C(O)[C@@H](c1ccccc1F)N1CCS(=O)(=O)CC1 582306253 HWXXRPCXSQWLPJ-LLVKDONJSA-N 287.312 0.682 0 50 CCAA O=C(O)c1cn([C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)nn1 583324804 LKGBWCSYDOPZFL-ZJUUUORDSA-N 294.311 0.176 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)[C@@H]1CCCO1 643848029 VBSUKGDAFSLRSH-JOYOIKCWSA-N 257.286 0.258 0 50 CCAA CC(C)(CNC(=O)N1CCCC1)N1CCS(=O)CC1 749983297 MZKZXQPOGPVXQY-UHFFFAOYSA-N 287.429 0.635 0 50 CCAA CN(C)C(=O)CCN(C)S(=O)(=O)N1CCCCC1 1506430866 CPBMTNWVHBXLFL-UHFFFAOYSA-N 277.390 0.127 0 50 CCAA COCCN1CCC(CN(C)C(=O)[C@H]2C=CCN2)CC1 1506403542 UDWKLYIJPNPJEL-CQSZACIVSA-N 281.400 0.331 0 50 CCAA Cc1nc([C@H]2C[C@@H](N)[C@H](O)C2)n(CC(F)(F)F)n1 1857714452 AQNDXFOJANBVPW-XLPZGREQSA-N 264.251 0.714 0 50 CCAA CCN1C[C@@H](CN(C)Cc2cc(O)nc(C)n2)CC1=O 1529195102 GCNCUVUJVOMQEN-LLVKDONJSA-N 278.356 0.791 0 50 CCAA O[C@@H]1CN(CCCn2ccnc2)C[C@H]1Cc1cnccn1 1704315318 RWCKLHWZFSFXNS-UKRRQHHQSA-N 287.367 0.599 0 50 CCAA C[C@@H]1CN(C[C@@H](O)CC2(O)CCOCC2)C[C@H]1N(C)C 630044770 YWTPLAWMLVAOTR-HZSPNIEDSA-N 286.416 0.161 0 50 CCAA COCCC1CCN(C(=O)[C@@H]2NCc3ncncc32)CC1 1615548829 TYLOPKKFGUXDTQ-CQSZACIVSA-N 290.367 0.896 0 50 CCAA C[C@H](NS(=O)(=O)c1cn(C)cn1)c1cnn(C)c1 266170570 JHYOTHWLTVYLOP-QMMMGPOBSA-N 269.330 0.193 0 50 CCAA COc1nc(N2CCC(c3nc(N)n[nH]3)CC2)ncc1F 1772701087 IIWOGKXZCBNFGI-UHFFFAOYSA-N 293.306 0.709 0 50 CCAA CC(C)(CNC(=O)[C@@H]1CCCO1)CNC(=O)[C@@H]1CCCO1 5904913 ULYMEAMYCCCEAM-RYUDHWBXSA-N 298.383 0.603 0 50 CCAA Cc1cn2nnc(C(=O)NCCc3ccccc3)c2c(=O)[nH]1 169776610 NXZLBIVSIWKEJJ-UHFFFAOYSA-N 297.318 0.699 0 50 CCAA Cc1ccc2nc[nH]c(=NCc3nnc4n3CCC4)c2n1 1857666005 AGSSMJJILAWLLW-UHFFFAOYSA-N 281.323 0.905 0 50 CCAA O=C(NCCc1cnn[nH]1)[C@H]1CC[C@H](c2ccccc2)N1 1857722625 KKQNLCXUELLRHY-ZIAGYGMSSA-N 285.351 0.957 0 50 CCAA COCCN1CN(C(=O)[C@@H]2CCCO[C@H]2C(C)C)CC1=O 408473320 LNMNOAYOUAJYCF-OCCSQVGLSA-N 298.383 0.712 0 50 CCAA N[C@H]1CCC[C@H]1C(=O)N1CCN(Cc2ccon2)CC1 237877858 KXOGXUNENSWBBV-OLZOCXBDSA-N 278.356 0.446 0 50 CCAA CC(C)[C@H](C(=O)NCC(=O)O)N1C[C@@H](C)O[C@H](C)C1 251777973 VWAHXUDFPMDLSG-CKYFFXLPSA-N 272.345 0.321 0 50 CCAA O=C(NCCn1ccnc1)c1cccc2nccn12 776747901 QLYXMXLHOAKVTO-UHFFFAOYSA-N 255.281 0.961 0 50 CCAA Cc1cccnc1C(=O)N1CC[C@H](C(=O)O)[C@H](O)C1 1704325436 LOUJYLQXKLNVDB-VHSXEESVSA-N 264.281 0.298 0 50 CCAA Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCN[C@H](C(C)C)C1 912765337 BBSHIEZHQMAZDX-LBPRGKRZSA-N 292.383 0.421 0 50 CCAA CCc1nn(C)cc1NC(=O)NCC[C@H]1CC(=O)N(C)C1 930694644 SULOUKHHSUDRCA-JTQLQIEISA-N 293.371 0.972 0 50 CCAA CC(C)(C)OC(=O)N[C@H]1[C@@H]2CNC[C@@H](C2)[C@H]1CO 1857783306 AEHVMYVGJGVFSV-YTWAJWBKSA-N 256.346 0.728 0 50 CCAA OC[C@@]1(O)CCCN(Cc2nc3ccccc3[nH]2)C1 72474347 AIJHIDBTOJWODR-CQSZACIVSA-N 261.325 0.882 0 50 CCAA O=C(NCC1(C(=O)O)CCOCC1)N1CC=CC1 310931414 CHFCRVQWZCIDOR-UHFFFAOYSA-N 254.286 0.449 0 50 CCAA CC(=O)N[C@@H](C)C(=O)N1CCC(c2cnc[nH]2)CC1 408400430 RXYAQCWEHXWSMI-VIFPVBQESA-N 264.329 0.640 0 50 CCAA Nc1ncc(C(=O)NCCO[C@H]2CCOC2)cc1Cl 2325762717 CTTDCDZCDBKBTQ-VIFPVBQESA-N 285.731 0.853 0 50 CCAA O=C1C[C@H]([C@@H]2CCN(c3cncc(-n4cccn4)n3)C2)CN1 2325790871 RPFZVALQBHQSFO-NEPJUHHUSA-N 298.350 0.625 0 50 CCAA COc1ccc(S(=O)(=O)N(C)CCO)cc1C(=O)O 168092 UVZGQTDQOZDFRW-UHFFFAOYSA-N 289.309 0.006 0 50 CCAA Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cccs1 386310 MQFQPKMJNJEQBO-UHFFFAOYSA-N 251.267 0.685 0 50 CCAA O=C(NC[C@H](O)c1cccc(O)n1)c1n[nH]c2c1CCC2 2356139723 IVWBNUZHDOMXPP-NSHDSACASA-N 288.307 0.462 0 50 CCAA Cn1nccc1CN1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O 2356152805 BDQAZYMALXFQNM-UONOGXRCSA-N 295.383 0.287 0 50 CCAA C[C@H]1CN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C[C@@H](C)O1 245920255 QPCZQJZSIGMGRE-KKOKHZNYSA-N 292.401 0.450 0 50 CCAA Cn1ccnc1CN1CCC[C@@]12CCCN(CCO)C2=O 2356158194 YZYXSSJYLIFIQW-OAHLLOKOSA-N 292.383 0.369 0 50 CCAA CN(C)CCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 10111614 UNZVLNBXOXQRAA-UHFFFAOYSA-N 299.396 0.374 0 50 CCAA COC(=O)Cc1ccnc(NC[C@@H](O)C2CC2)n1 225388320 CJQKQQQMHVZKFR-SNVBAGLBSA-N 251.286 0.375 0 50 CCAA CCOCCn1c(=O)c2c(nc3oc(C)cn32)n(C)c1=O 9708619 DCTHCRIXPKZEMK-UHFFFAOYSA-N 292.295 0.286 0 50 CCAA C[C@H]1CCC(=O)N1CC(=O)NC[C@@H](C)N1CCCCC1 27734450 QAZLCMKWZYNMJX-QWHCGFSZSA-N 281.400 0.988 0 50 CCAA Cc1cc(C)n(-c2ccc(N3CCNCC3)nn2)n1 61715011 YJQSVAJDHQHMGB-UHFFFAOYSA-N 258.329 0.689 0 50 CCAA Cc1nn(C)c(N)c1[C@]1(O)C(=O)Nc2ccc(F)cc21 170625882 YPOZGKHPMIDGTQ-ZDUSSCGKSA-N 276.271 0.638 0 50 CCAA OCCc1ccc(-c2noc(Cn3cncn3)n2)cc1 20859380 FSIGJPHYAMRHNJ-UHFFFAOYSA-N 271.280 0.911 0 50 CCAA CC(C)[C@@H](Cn1ccnc1)NCC(=O)Nc1cnccn1 65405861 AUAHNSXDMNYXMW-GFCCVEGCSA-N 288.355 0.926 0 50 CCAA Cc1cnc([C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)o1 331528341 FVJRCIMLHWMEPL-QMMMGPOBSA-N 289.295 0.339 0 50 CCAA C[C@@H](O)C(C)(C)NC(=O)[C@@H]1CCCCS1(=O)=O 145271062 OKMCJNIGODOHNW-BDAKNGLRSA-N 263.359 0.229 0 50 CCAA CC(=O)c1cc(CN2CCN(CC(N)=O)CC2)cs1 215687990 YEOABMWTFKTLBF-UHFFFAOYSA-N 281.381 0.554 0 50 CCAA CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(C(N)=O)nn2)C1 253429954 WQOAVMNGJRSGRB-BDAKNGLRSA-N 278.312 0.719 0 50 CCAA O=C(CS(=O)(=O)C1CCCC1)NOCc1cccnc1 152308204 YRQZSGFMFFIJQO-UHFFFAOYSA-N 298.364 0.987 0 50 CCAA C[C@H]1CN(C(=O)c2n[nH]c3ccccc3c2=O)CCN1 155183469 SZWRXOAAZDBGGS-VIFPVBQESA-N 272.308 0.357 0 50 CCAA O=C(c1ccccn1)N1CCC[C@](O)(CO)CC1 72143768 ILOVVVUNOMEKJZ-CYBMUJFWSA-N 250.298 0.431 0 50 CCAA COc1cc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)ccn1 72133715 JOLKLTIZUFXGMK-AWEZNQCLSA-N 291.307 0.757 0 50 CCAA Cn1nnc(NS(=O)(=O)c2ccccc2F)n1 127179381 YNVJNHDHEBMXJD-UHFFFAOYSA-N 257.250 0.150 0 50 CCAA Cc1cc(N[C@H](C)Cn2cncn2)nc(N(C)C)n1 32593073 VVFIMVAWBXSLGK-SNVBAGLBSA-N 261.333 0.943 0 50 CCAA CNCC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@H]1C 71777031 HZWLCIDPZDRJDC-LLVKDONJSA-N 291.351 0.478 0 50 CCAA Cc1cc(C)n(CCCNC(=O)[C@H]2C[C@@H]2C(=O)O)n1 132950292 GOFIAXAUDMHMLU-QWRGUYRKSA-N 265.313 0.727 0 50 CCAA C[C@@H]1CC(=O)NCCN1CC(=O)N(C)CC(F)(F)F 378325823 IDDVAXYTQOQYOB-MRVPVSSYSA-N 281.278 0.218 0 50 CCAA Cc1nccn1CCCC(=O)N1CCOC[C@H]1CC(=O)O 72163561 RSVXWHYZNNLAPN-GFCCVEGCSA-N 295.339 0.674 0 50 CCAA COc1cccc(OCCN2CCO[C@H](C)[C@H]2C(N)=O)c1 284970973 JYCOMBHHWALPCH-RISCZKNCSA-N 294.351 0.649 0 50 CCAA Cc1ccc(C)c(CC(=O)N2CCC[C@@](O)(C(N)=O)C2)c1 285474652 KSFDLRGIROJCEV-INIZCTEOSA-N 290.363 0.685 0 50 CCAA CC(C)N1CCC[C@@H](CNC(=O)Cn2ccnn2)C1 426405160 OLLGRVIBXNULKI-LBPRGKRZSA-N 265.361 0.515 0 50 CCAA O=C(c1ccc2c(c1)CCCO2)N1C[C@@H]2NCCO[C@H]2C1 426500035 CRHCZOJWRJYDFU-ZFWWWQNUSA-N 288.347 0.824 0 50 CCAA Nc1nc(CN=c2cc([C@@H]3CCOC3)nc[nH]2)cs1 426551923 CLBVMEYAKYOXAP-MRVPVSSYSA-N 277.353 1.053 0 50 CCAA C[C@]1(C(=O)NCCCc2nnc(N)s2)CCCO1 426406136 LVOBAPIIRMOFOV-LLVKDONJSA-N 270.358 0.738 0 50 CCAA C[C@H]1[C@@H](NC(=O)Nc2ccncc2)CCS1(=O)=O 292756394 RPZHPKLXHZCKQZ-WPRPVWTQSA-N 269.326 0.779 0 50 CCAA CCc1cnc(N(C)CCN2CCOCC2)nc1 95372822 GAEHLLMSBURIIH-UHFFFAOYSA-N 250.346 0.807 0 50 CCAA Cn1ccnc1-c1cn(CCc2nnc(N)s2)nn1 91326489 NSAVODWTUYISRK-UHFFFAOYSA-N 276.329 0.355 0 50 CCAA NC(=O)[C@H]1CCCN(CCNc2nnc(C3CC3)o2)C1 91364714 PSZQECSCVVVEEV-JTQLQIEISA-N 279.344 0.556 0 50 CCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@H](N)C1 237745953 UGSNZCOXFZDRFV-ZETCQYMHSA-N 278.765 0.104 0 50 CCAA COCCN1CC[C@H](C(=O)NCc2cc(C)nn2C)C1 97259339 XTTGSJFIXNDJEA-LBPRGKRZSA-N 280.372 0.313 0 50 CCAA CC(C)C[C@H]1C(=O)NCCCN1C(=O)c1cn(C)nn1 293911603 MJLWYSYDAJSNNK-NSHDSACASA-N 279.344 0.192 0 50 CCAA CCCCn1nc(CC(N)=O)nc1-c1cnccn1 95526228 MHQJKUCRZVFVNJ-UHFFFAOYSA-N 260.301 0.563 0 50 CCAA O=C(Cn1ccc2ncccc2c1=O)NC[C@@H]1CCCO1 95387869 MWAACYBTXDVJRX-NSHDSACASA-N 287.319 0.692 0 50 CCAA Cn1nccc1CCC(=O)N1C[C@H](C2CC2)[C@@H](N)C1 91616997 HUPGULSHQCUMQQ-OLZOCXBDSA-N 262.357 0.548 0 50 CCAA COc1ccc(F)c(F)c1C(=O)N[C@H]1CNC[C@@H]1OC 534632366 IFVPHLZVYAMSEI-WPRPVWTQSA-N 286.278 0.690 0 50 CCAA Cc1cc(C(=O)N2CCN(c3ccnc(C)n3)CC2)[nH]n1 185399479 DJVDBAKSRPXGCB-UHFFFAOYSA-N 286.339 0.779 0 50 CCAA CS(=O)(=O)CCC(=O)NCCOc1ccc(F)cc1 298524240 SNUCMEMLJRVGIN-UHFFFAOYSA-N 289.328 0.755 0 50 CCAA COCCN1C[C@H](C(=O)NCC(F)(F)F)CCC1=O 824412352 HFRIETALSGBPKX-MRVPVSSYSA-N 282.262 0.550 0 50 CCAA Cc1cnccc1N1CCN(C(=O)c2[nH]nnc2C)CC1 584884510 SYIDVVHEZLWFOX-UHFFFAOYSA-N 286.339 0.779 0 50 CCAA CN(C[C@H]1Cc2ccccc2O1)C(=O)CCS(C)(=O)=O 827881222 PGUOYWWLUKMMLG-GFCCVEGCSA-N 297.376 0.883 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)c2cn[nH]c2)C1 584893908 VVRLWVNCISBSMI-JTQLQIEISA-N 252.318 0.060 0 50 CCAA C[C@@H]1C[C@@H](C(=O)Nc2c[nH]nc2C(=O)O)CCO1 585134858 MHTIIKNYNSKBFW-RQJHMYQMSA-N 253.258 0.862 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)CCN2CCCC2=O)C1 670468974 DFZNFMBJHVPAQV-ZDUSSCGKSA-N 297.399 0.036 0 50 CCAA Cc1cc(C)n(C[C@H](C)N2CCCNC(=O)C2)n1 670438632 PKZPKACEEGKVSH-LBPRGKRZSA-N 250.346 0.710 0 50 CCAA CCCC[C@H](NC(=O)c1ccc(CCN)cc1)C(N)=O 584884097 HPOFRCSXEPBGAP-ZDUSSCGKSA-N 277.368 0.962 0 50 CCAA CC[C@@H](NC(=O)c1cnn2c1NC[C@@H](C)C2)C(=O)NC 1548717003 ZBHAWONYHZEGSD-PSASIEDQSA-N 279.344 0.199 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@H]1CCc2c[nH]nc2C1 1875377016 PUDFTNFBVPUBNV-UFFNRZRYSA-N 262.357 0.749 0 50 CCAA C[C@H]1CCC[C@]1(NC(=O)/C=C/CN(C)C)C(N)=O 1875375374 BDSQWHGZSSRNJO-XWZPVZHOSA-N 253.346 0.265 0 50 CCAA Cc1nnc(CN2CCCN(C(=O)[C@@H]3CCOC3)CC2)o1 980802788 REEQRZQSJJZEDM-GFCCVEGCSA-N 294.355 0.449 0 50 CCAA Cc1cc(Br)cc(N(CCO)CCO)n1 892688131 XYDHAWPLYMDGFO-UHFFFAOYSA-N 275.146 0.944 0 50 CCAA CC(=O)Nc1ccc(C(=O)N2CCC3(CN(C)C3)C2)nc1 1433951495 HHRMGBNSUFPRPL-UHFFFAOYSA-N 288.351 0.818 0 50 CCAA CCOc1cc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)nc(C)n1 896971191 OQKCJPAFMLYXRB-MXWKQRLJSA-N 267.329 0.870 0 50 CCAA N[C@H]1CC[C@@H](C(=O)N2CCC3(CC2)COC(=O)O3)C1 1565508317 FBUSUZXKGGSGGP-ZJUUUORDSA-N 268.313 0.642 0 50 CCAA O=C(O)C[C@H]1C(=O)Nc2ccccc2S1(=O)=O 215125032 MYNNVTRKSKWKNK-QMMMGPOBSA-N 255.251 0.256 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)NCC1(O)CCOCC1 408388417 VJVVAHXTKYIQLR-RYUDHWBXSA-N 271.357 0.849 0 50 CCAA CCN1CC(=O)N(C[C@H](n2cncn2)C(F)(F)F)C1=O 630990361 DMXXYWLQTPJBTD-ZETCQYMHSA-N 291.233 0.666 0 50 CCAA C[C@H]1C[C@@H](C(=O)Nc2ncc(C(N)=O)s2)CCO1 170592007 DRQBRSFLQIEDCS-BQBZGAKWSA-N 269.326 0.996 0 50 CCAA CCN(CC)CC(=O)N1CCS(=O)(=O)CC[C@H]1C 170614076 XOLCGICZBDXNOI-LLVKDONJSA-N 276.402 0.364 0 50 CCAA CN1C[C@@H](NC(=O)c2ncccc2Br)CC1=O 279780127 LHARLLZCBFUXHE-ZETCQYMHSA-N 298.140 0.805 0 50 CCAA CC(C)(C)c1nc(N2CC[C@@](O)(Cn3ccnn3)C2)no1 671466732 PPFIYCDOHHQHHI-ZDUSSCGKSA-N 292.343 0.600 0 50 CCAA CCCN1CCCN(C(=O)NC2CCC(O)CC2)CC1=O 190096052 LPHZKDLEPGJQJG-UHFFFAOYSA-N 297.399 0.944 0 50 CCAA CCOC(=O)CN(C)C1CN(C(=O)[C@H](C)CSC)C1 584908718 FUTYQVSZXRCMNV-SNVBAGLBSA-N 288.413 0.691 0 50 CCAA COc1ccccc1CNC(=O)[C@@H](C)ONC(=O)N(C)C 585122856 CCBVUAJKZMHOLJ-SNVBAGLBSA-N 295.339 0.903 0 50 CCAA Cn1cc(NC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)nn1 569403958 JZLYUAJPVFPUON-ZJUUUORDSA-N 265.317 0.990 0 50 CCAA CC(C)Cc1nc(CN(C)C(=O)N[C@H](C)C(=O)O)no1 1506396646 LOJJQKHFHNHARS-MRVPVSSYSA-N 284.316 0.883 0 50 CCAA CN1CCN(C)[C@H](CNc2cccc(C(=O)N(C)C)n2)C1 1506412790 FCSUJUUZPATPPJ-GFCCVEGCSA-N 291.399 0.441 0 50 CCAA C[C@@H](NC(=O)c1cn2c(n1)CCNCC2)C(F)(F)F 1875247933 VPCGBILXZRAXON-SSDOTTSWSA-N 276.262 0.709 0 50 CCAA Cc1noc([C@@H]2CN(C(=O)CC(C)(C)O)CCN2C)n1 408036122 QGYYFTQCBDRCPP-JTQLQIEISA-N 282.344 0.354 0 50 CCAA CN1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC1 234328013 NALKLTGEBIMDBF-MNOVXSKESA-N 254.330 0.651 0 50 CCAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCCOC1 539605869 ADRDYYKTRZRBHQ-NEPJUHHUSA-N 285.340 0.895 0 50 CCAA Cn1nncc1NC(=O)N1C[C@@H](N)C2(CCC2)C1 1615059262 YKLQIEIOYZIDAH-MRVPVSSYSA-N 250.306 0.160 0 50 CCAA CCn1nc(C)c(CNC(=O)[C@@H]2C[C@@H]3C[C@@H](N)[C@@H]3C2)n1 1615551484 CFBKBZNVTFTRNF-DDHJBXDOSA-N 277.372 0.596 0 50 CCAA CC(C)CCN(C)C(=O)c1cnc(C(N)=O)cn1 1772709214 JEJOBRJFUZVOMH-UHFFFAOYSA-N 250.302 0.694 0 50 CCAA O=C(O)[C@]12CN(Cc3noc(C4CC4)n3)C[C@@]1(C(=O)O)C2 1772701457 MRVVNNIIVSOGHG-BETUJISGSA-N 293.279 0.308 0 50 CCAA O=C1C[C@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]2N1 1857682903 QJQJQCDAYVBSJX-WDEREUQCSA-N 288.303 0.305 0 50 CCAA c1nc([C@H]2C[C@@H]3CC[C@H]2O3)n(-c2ccc3nncn3n2)n1 1857726499 UREYTVOPPGRVII-LPEHRKFASA-N 283.295 0.740 0 50 CCAA Cc1ccncc1C(=O)N[C@H]1C[C@H]2CO[C@H](C)CN2C1 1857733514 MXJLVJSTYXIINV-AGIUHOORSA-N 275.352 0.981 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)Cc1cccnc1 643949496 OOZLUHLLMXULEZ-HNNXBMFYSA-N 291.351 0.378 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@@H](C)N1 154255991 BGRDQLKAVIQTRQ-AOOOYVTPSA-N 263.345 0.365 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1occ2c1CCOC2 909055442 FPJILAFWNRVUMO-SNVBAGLBSA-N 281.264 0.278 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)C(C)=C1CCC1 818381277 LSWIMSVKDXSKHU-AWEZNQCLSA-N 266.341 0.980 0 50 CCAA COCc1noc(CSc2nnc(CN)n2C)n1 426693702 JCDNILMJALMGRY-UHFFFAOYSA-N 270.318 0.096 0 50 CCAA O=C(NC[C@@H]1CNCCCO1)[C@@H]1Cc2ccccc21 333232660 UWIHGDOZTJNSKY-GXTWGEPZSA-N 260.337 0.821 0 50 CCAA C=CC(=O)NCCC(=O)N1c2ccccc2C[C@@H]1CO 912321560 JSGDXZVRSIGXFJ-GFCCVEGCSA-N 274.320 0.629 0 50 CCAA CCn1ncc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)n1 857274762 CQVYDWWNDCLESV-JTQLQIEISA-N 275.316 0.784 0 50 CCAA CC(C)(O)C(=O)N1CCC[C@@]2(CCc3c[nH]c(=N)nc32)C1 2356158481 LXAJFHWKXIRQIE-OAHLLOKOSA-N 290.367 0.466 0 50 CCAA CS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 58604740 CSIJUHOYVCEFIE-UHFFFAOYSA-N 267.306 0.717 0 50 CCAA Cc1nc(N(C)C)nc(NC[C@@H]2CNCCO2)c1C 65410320 BQFKVNVYGNLOBP-NSHDSACASA-N 265.361 0.560 0 50 CCAA COCC1(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)CCC1 65426256 IIBLAXRVHYZICI-RYUDHWBXSA-N 271.357 0.800 0 50 CCAA COc1cn(C2CCN(C)CC2)c(C(=O)O)cc1=O 302305456 HTTGTNAQQJCZGR-UHFFFAOYSA-N 266.297 0.822 0 50 CCAA CCN(C(=O)Cc1ccncc1)[C@@H]1CCS(=O)(=O)C1 67473245 OPIWDGUSYYLPMS-GFCCVEGCSA-N 282.365 0.660 0 50 CCAA C[C@H](NC(=O)c1cnc(Cl)cn1)[C@@H](C)C(=O)O 230070033 HCOMGZIOYMVGNO-RITPCOANSA-N 257.677 0.969 0 50 CCAA Cc1ncc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2C(=O)O)s1 230109961 OEOWUCBFLMRLLY-HZGVNTEJSA-N 290.366 0.935 0 50 CCAA O=C(NCCN1CCOCC1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 252673634 RGMFRPBHNMHHNZ-FQUUOJAGSA-N 279.384 0.759 0 50 CCAA O=S(=O)(c1cnc2n1CCC2)N1CCc2ccncc21 328610206 NLYVOSGPPZFJQM-UHFFFAOYSA-N 290.348 0.976 0 50 CCAA CN(C)C1(C(=O)NCCn2cnnc2)Cc2ccccc2C1 72152519 UISSHBOENLQWDN-UHFFFAOYSA-N 299.378 0.494 0 50 CCAA COc1cc(N2CCN([C@H](C)C(N)=O)CC2)ccc1F 282662174 BQZSMFQSECSXEC-SNVBAGLBSA-N 281.331 0.830 0 50 CCAA CCCn1cc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c(C)n1 72167561 GVDVSFZOQPDOTR-DGCLKSJQSA-N 281.356 0.417 0 50 CCAA C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 333037874 DMNMPVANBZTQCM-WHOHXGKFSA-N 289.397 0.850 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)/C=C/c1ccccn1 521363666 YXFGIWGNIWELME-ZWNMCFTASA-N 262.265 0.407 0 50 CCAA CNc1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 77485014 PRKBVZRMXPPCET-QMMMGPOBSA-N 270.358 0.389 0 50 CCAA COc1cccc(OCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 223068568 MPXDDKWUJODSOP-KBPBESRZSA-N 294.351 0.207 0 50 CCAA CCCn1ccnc1CNC(=O)[C@H](N)c1c(C)n[nH]c1C 222975179 JKILGTCNWYFLFH-CYBMUJFWSA-N 290.371 0.949 0 50 CCAA O=c1c2nnc3ccnn3c2ccn1Cc1cccnc1 40388132 WQSMJVWGMNCHFY-UHFFFAOYSA-N 278.275 0.883 0 50 CCAA O=C(O)[C@@H]1C[S@](=O)C[C@@H](c2cccc(F)c2)N1 226824947 FIVVTYBRRDQOSI-FJHFEUQMSA-N 257.286 0.672 0 50 CCAA CNc1ncnc2cc(C(=O)N(C)C[C@H](O)CO)ccc12 613196898 YIBBPRKMHSNZSV-JTQLQIEISA-N 290.323 0.097 0 50 CCAA COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239235714 WNYOLNYKQKTZMM-LNYHADBWSA-N 261.277 0.213 0 50 CCAA CCc1nnc(CNC(=O)[C@H]2CCCN(C(C)=O)C2)s1 95378486 LXGCFDUSDMUDGP-JTQLQIEISA-N 296.396 0.975 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCNC[C@H]2C(=O)O)on1 95511408 QJHSNQJCAFGWGJ-JTQLQIEISA-N 281.312 0.372 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N1C[C@@H]2CNC[C@@H]2C1 97505565 ORUXMNBZXFLSGP-PHIMTYICSA-N 275.356 0.142 0 50 CCAA CCOC[C@H](O)CNC(=O)c1c(C)cc(C)n(CC)c1=O 97272388 LVWYLIHEVITBNC-GFCCVEGCSA-N 296.367 0.612 0 50 CCAA Cc1nc[nH]c1C(=O)N1C[C@@H]2CCN(C)C[C@]2(C(=O)O)C1 91452492 FYQJOJMEJGWZCD-HZMBPMFUSA-N 292.339 0.197 0 50 CCAA Cc1ccc(CNC(=O)[C@@H]2CCC(=O)NC(=O)N2)cc1C 97694978 YREDJDUDQDPFLG-LBPRGKRZSA-N 289.335 0.908 0 50 CCAA Cc1nn(C)c2nc(N3CCC[C@@H]3C(N)=O)sc12 96140846 MLLJCLLUOAVUNN-SSDOTTSWSA-N 265.342 0.792 0 50 CCAA CC(=O)N1CCN(c2ccncc2F)C[C@H](O)C1 91680178 AZUDUCQVVYQGTM-SNVBAGLBSA-N 253.277 0.250 0 50 CCAA Cc1nc(CNC(=O)Nc2cn(C)nn2)cs1 96130809 MCSVXYKLZCDXRX-UHFFFAOYSA-N 252.303 0.902 0 50 CCAA CC(C)(C)c1cc(CN2CCOC[C@@H]2C(=O)O)n[nH]1 244900071 ZVMZPRBBQSWINB-SNVBAGLBSA-N 267.329 0.993 0 50 CCAA COC(=O)c1cn([C@@H](C)C(=O)OC)cc2c(=O)[nH]nc1-2 263588719 XRTBNQYUULRWJA-LURJTMIESA-N 279.252 0.197 0 50 CCAA CCCc1ncncc1C(=O)N1CCO[C@@H](C(=O)O)C1 534584957 HVWKWGQUIPBMOZ-LLVKDONJSA-N 279.296 0.355 0 50 CCAA CCCC[C@H](N)C(=O)NCc1cnc(O)nc1O 299768226 IWAHDDPMNPIKNA-QMMMGPOBSA-N 254.290 0.022 0 50 CCAA O=C(NCCN1CCCC[C@@H]1CO)c1cccc(O)n1 828710803 GQSPATSXKNICFF-LLVKDONJSA-N 279.340 0.364 0 50 CCAA O=C(CN1CCC[C@@H](O)CC1)Nc1cnccn1 660648319 XRKNMKSYGGCINZ-SNVBAGLBSA-N 250.302 0.262 0 50 CCAA Cc1ccccc1CC1(NC(=O)NC[C@@H](O)CO)CC1 584901132 ADPIQMXJYMQQHF-CYBMUJFWSA-N 278.352 0.723 0 50 CCAA CCCC[C@H](NC(=O)Cc1n[nH]c(C)n1)C(=O)O 863981669 GSDVNBLWCMMEDJ-QMMMGPOBSA-N 254.290 0.415 0 50 CCAA O=S(=O)(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cn[nH]c1 1875255987 JQVNNIBRUFNENF-ONGXEEELSA-N 287.341 0.026 0 50 CCAA O=C(NOC1CCOCC1)[C@@H]1CCCc2ccnn21 1875280654 IOSDFPGSRDDCGI-LBPRGKRZSA-N 265.313 0.987 0 50 CCAA CC(=O)NC[C@]1(S(C)(=O)=O)C[C@@H]1C(F)(F)F 1875290343 UVBMAVXDNBNUOX-NKWVEPMBSA-N 259.249 0.488 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@]1(C)CCCCNC1=O 1875333107 AXWXCVDEBOZOMA-URWSZGRFSA-N 268.313 0.138 0 50 CCAA Cn1cc(-c2ccc(NS(C)(=O)=O)cc2)c(CN)n1 1875326363 IDIYNHOXRNBIKY-UHFFFAOYSA-N 280.353 0.917 0 50 CCAA NC(=O)C1(C(=O)N2CC[C@@H](C(F)(F)F)C2)CC1 888009633 JBMFKDIMJDNOCB-ZCFIWIBFSA-N 250.220 0.663 0 50 CCAA C[C@H](O)CN1CCN(CCOCC(F)(F)F)C[C@H]1C 247091779 HQYSIRDSGKCRFQ-MNOVXSKESA-N 284.322 0.952 0 50 CCAA CCC[C@H]1CN(Cc2cc(O)nc(O)n2)C[C@@H]1NC(C)=O 1565528442 KHCXYBMTMFZYFV-JQWIXIFHSA-N 294.355 0.624 0 50 CCAA COC[C@@H](C)S(=O)(=O)N1CCO[C@H](C2CCC2)C1 574057017 UUJDJUVJOPTKOC-PWSUYJOCSA-N 277.386 0.852 0 50 CCAA O=S(=O)(c1cccc2c1OCCO2)N1CCCO1 273559639 YAKBHSZADOHWDB-UHFFFAOYSA-N 271.294 0.784 0 50 CCAA CN(Cc1ncccn1)[C@H]1CCN(c2ncccn2)C1 275781410 RURBBBUUSUJSFZ-LBPRGKRZSA-N 270.340 0.977 0 50 CCAA COC1(CNC(=O)[C@H]2CCC(=O)N2)CCCCC1 186316762 GWCJBQASTOXVKI-SNVBAGLBSA-N 254.330 0.731 0 50 CCAA Cn1nnc(CN2CCC[C@@H](C3(C)OCCO3)C2)n1 170616898 FNZQVMUIOCLFAZ-SNVBAGLBSA-N 267.333 0.185 0 50 CCAA CCS(=O)(=O)NCCCN1CC[C@H](C)C[C@@H]1[C@@H](C)O 170604031 TWKLKBIKAQKUEI-YNEHKIRRSA-N 292.445 0.797 0 50 CCAA O=C(Cc1ccncc1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 564297949 KTNHLZFCVZONSV-LLVKDONJSA-N 287.323 0.854 0 50 CCAA Cc1cnc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc1 677503088 BCPVFZTZPLMUEE-LBPRGKRZSA-N 296.396 0.094 0 50 CCAA Cc1coc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1C 585081787 BDODTCYAOOMAIX-JTQLQIEISA-N 286.353 0.660 0 50 CCAA Cn1cncc1CNc1nccc(=N[C@@H]2CCCOC2)[nH]1 585085243 NGSCGGLLDIDORO-LLVKDONJSA-N 288.355 0.835 0 50 CCAA O=c1cc(CN2CCC[C@H](n3ccnn3)C2)[nH]c2ccnn12 568503921 KMTAKQQOJQLWCA-LBPRGKRZSA-N 299.338 0.451 0 50 CCAA CC(=O)N1CCC(C(=O)N=c2cnn(C(C)C)[nH]2)CC1 1875248292 IWDZRSMTBXSJKU-UHFFFAOYSA-N 279.344 0.478 0 50 CCAA Cn1ccnc1CNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 236082593 POLYTYSCEZWRES-BDAKNGLRSA-N 251.286 0.537 0 50 CCAA COCCCCN(C)C(=O)[C@@H](O)[C@@H]1COC(C)(C)O1 1615604589 AJYNXJQKPHIAAZ-QWRGUYRKSA-N 275.345 0.384 0 50 CCAA CN([C@H]1CCOC1)S(=O)(=O)c1cc(C(=O)O)ccn1 388976166 XGHSRKDDQQNHHH-VIFPVBQESA-N 286.309 0.189 0 50 CCAA C[C@H](C(=O)O)N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 19773383 WKFBUPBTMUZFDS-NJUXHZRNSA-N 257.673 0.977 0 50 CCAA CCc1ccc(NC(=O)C(=O)NCCN(C)C)cc1 2331468 CHKYZDCIQJEUNO-UHFFFAOYSA-N 263.341 0.865 0 50 CCAA C[C@H]1COC[C@H]2CN(c3ncccc3C(N)=O)CCN12 1875250090 WXWXXXSDFULMNM-WDEREUQCSA-N 276.340 0.090 0 50 CCAA CCC[C@@H](O)[C@@H](CO)NC(=O)c1ccc(C(N)=O)cc1 424063002 WQMMKFXCOLSWJA-VXGBXAGGSA-N 280.324 0.037 0 50 CCAA CN1CCN(C(=O)c2ccc(O)nc2)C[C@@H]1c1ncc[nH]1 328631099 QPAHZEJUJWSFSC-LLVKDONJSA-N 287.323 0.639 0 50 CCAA O[C@]1(Cn2ccnn2)CCN(c2ncccc2Cl)C1 671466707 PDRPVFIXCGAGDD-GFCCVEGCSA-N 279.731 0.968 0 50 CCAA O=C(c1nnc2ccccc2n1)N1C[C@@H](O)C2(CC2)C1 365686477 MWJVDEHLDUQCSM-LLVKDONJSA-N 270.292 0.622 0 50 CCAA O=C(O)c1ccc(OCCNC(=O)[C@H]2C[C@@H](O)C2)cc1 909435972 XRMIAFSPPZVKMB-PHIMTYICSA-N 279.292 0.651 0 50 CCAA Cc1nc(CN2CCC(N3CCCOCC3)CC2)n[nH]1 931285916 QHKQDKFTZGUPAN-UHFFFAOYSA-N 279.388 0.800 0 50 CCAA Cc1nc(O)c2c(n1)CN(C[C@](C)(O)C(F)F)C2 931311580 JXZLSVWEUGPQTM-NSHDSACASA-N 259.256 0.822 0 50 CCAA Cc1cc(CN2CCN(CC[S@@](C)=O)CC2)nc(C)n1 851847800 VRECRKIGRSMFCS-HXUWFJFHSA-N 296.440 0.590 0 50 CCAA CC[C@@H](NC)C(=O)N1CCC(CC(=O)NC)CC1 662486640 NBZNAXFJCVIJSY-LLVKDONJSA-N 255.362 0.359 0 50 CCAA CC[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@H]1O 378329581 OHDWAAUGSQTIGD-GHMZBOCLSA-N 250.346 0.817 0 50 CCAA O=c1[nH]c(=O)n(COCCO)cc1Cc1ccccc1 2021810 SPJAGILXQBHHSZ-UHFFFAOYSA-N 276.292 0.094 0 50 CCAA in-vivo OC[C@@H]1CN(Cc2noc3c2CCCCC3)C[C@@H](CO)O1 2325807632 IWMKFMGTVOKSED-RYUDHWBXSA-N 296.367 0.498 0 50 CCAA O=C1NC[C@H]2CN(C(=O)COc3cccc(Cl)c3)C[C@@H]12 2356140458 JSSNWQLDNPSBRV-JOYOIKCWSA-N 294.738 0.923 0 50 CCAA CCc1ncnc(N2CCO[C@H](c3nnnn3C)C2)c1F 2356149880 XWGZCKFGRSTSDX-VIFPVBQESA-N 293.306 0.280 0 50 CCAA Cn1nnnc1[C@H]1CN(CCc2ccc(O)cc2)CCO1 2356150963 KODKLWPXIOHLQU-CYBMUJFWSA-N 289.339 0.532 0 50 CCAA C[C@@H]([C@H](C)C(=O)NCc1ccco1)S(C)(=O)=O 225702096 ISZVSEBZEMXUSE-IUCAKERBSA-N 259.327 0.965 0 50 CCAA Cn1ncnc1NC(=O)C(=O)N1CCc2ccccc21 225854828 HHLLKMOWGICKAJ-UHFFFAOYSA-N 271.280 0.343 0 50 CCAA C[C@H]1CN(CCO)[C@H](C)CN1C(=O)c1cccnc1 416301693 VPCYFLDEUDYLTF-NEPJUHHUSA-N 263.341 0.609 0 50 CCAA CCN1C(=O)/C(=C2\NC(=S)NC2=O)c2ccccc21 100192068 QGGGVCILGXYGCV-KTKRTIGZSA-N 273.317 0.769 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1nc2ccccc2[nH]1 67965144 VIXDLYZIXBCTPA-SKDRFNHKSA-N 273.340 0.211 0 50 CCAA COc1cccc(N([C@H](C)C(N)=O)S(C)(=O)=O)c1 65365362 FTZGUAWDAJIYBI-MRVPVSSYSA-N 272.326 0.335 0 50 CCAA CC1CCN(S(=O)(=O)c2ccc3n[nH]c(=O)n3c2)CC1 67244920 QHMXMSCVMVZHOO-UHFFFAOYSA-N 296.352 0.443 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)[C@H]1CN 252117428 IUKQBMWWIDSNML-ONGXEEELSA-N 272.374 0.168 0 50 CCAA C[C@H]1CCCN(CCNC(=O)[C@H]2CCS(=O)(=O)C2)C1 252452684 WDQGOBMIMTXZSW-RYUDHWBXSA-N 288.413 0.269 0 50 CCAA CCCN1CCC[C@H]1CNC(=O)Cc1nnc(C)o1 331124929 HFLCURDIUPYMAY-NSHDSACASA-N 266.345 0.911 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)c1cc(CO)ccn1 218792159 RGGRHMLYYWREMI-GFCCVEGCSA-N 274.324 0.979 0 50 CCAA CSCC[C@@H](O)C(=O)NCc1cccnc1N 219439574 GXWBCYQTMKKFLP-SECBINFHSA-N 255.343 0.394 0 50 CCAA Cn1nccc1CN[C@@H]1CCN(c2ccccc2C(N)=O)C1 364317130 LPYIQKLCWUETLD-GFCCVEGCSA-N 299.378 0.888 0 50 CCAA CN(C)[C@H](CNC(=O)c1ccc2nc(O)[nH]c2n1)C1CC1 448747335 JNALFKXBHVOVSL-LLVKDONJSA-N 289.339 0.734 0 50 CCAA O=C(CNCCO)Nc1ccccc1Br 35101819 OWHXTUAABXMOOT-UHFFFAOYSA-N 273.130 0.970 0 50 CCAA CCS(=O)(=O)NC(=O)/C=C/c1scnc1C 492660300 CQTRJRZDMICRNO-SNAWJCMRSA-N 260.340 0.931 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)Cc1cn2ccccc2n1 374099236 LFOCKNQPSWLIJA-CHWSQXEVSA-N 298.346 0.614 0 50 CCAA CC(=O)c1[nH]c(C)c(C(=O)NC[C@@H]2CCNC[C@H]2O)c1C 72148297 SWHGIEWIOPUYKN-NWDGAFQWSA-N 293.367 0.534 0 50 CCAA CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 240278277 DPYXYMCYPKPBLH-HZSPNIEDSA-N 290.367 0.651 0 50 CCAA COc1ncnc(OC)c1C(=O)N[C@H]1CCC[C@@H]1CN 178148765 ITEJOTWYUSDJRH-BDAKNGLRSA-N 280.328 0.351 0 50 CCAA CCCn1cnnc1CN(C)C(=O)NCc1ncc[nH]1 426728303 REOGPVSGPTYDDU-UHFFFAOYSA-N 277.332 0.753 0 50 CCAA Cc1nc([C@@H](C)NC(=O)CN(C)CCO)cs1 426435446 SJIQGYSURHODRV-MRVPVSSYSA-N 257.359 0.553 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)c2ccnc(-n3ccnc3)c2)C1 178256905 QNVNWMNDHMXNQV-NSHDSACASA-N 286.291 0.814 0 50 CCAA O=C(NCCCCO)N1CCN(C(=O)c2ccc[nH]2)CC1 426403439 CFSDOMOSPDEVKI-UHFFFAOYSA-N 294.355 0.255 0 50 CCAA CC(C)N(CCOC(=O)[C@@H]1CCC(=O)N1)C(C)C 96028155 ZNKYPLWRRFDUCH-NSHDSACASA-N 256.346 0.927 0 50 CCAA CCN1C[C@@H](C(=O)N2CCc3ncccc3C2)CC1=O 95391430 GSZWJONCJYHVFX-LBPRGKRZSA-N 273.336 0.835 0 50 CCAA CC[C@]1(C(=O)O)CCCN(C(=O)c2[nH]cnc2C(=O)O)C1 91493386 QFXWJAAZHCTFBW-ZDUSSCGKSA-N 295.295 0.825 0 50 CCAA CN1CCO[C@H](C(=O)N2C[C@@H]3CCCC[C@H]3C2)C1 246346760 LWXFDEWHKCWISR-AVGNSLFASA-N 252.358 0.966 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)COC[C@@H]1CCOC1 299741332 DUKYMIPAMSMNJL-NXEZZACHSA-N 257.286 0.115 0 50 CCAA CCc1ncc(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)[nH]1 534632410 CHSGHXIHLBBLRY-RKDXNWHRSA-N 298.368 0.071 0 50 CCAA CN(C)S(=O)(=O)CCNC(=O)C1Cc2ccccc2C1 291585691 QKHYVTWEVFYEQV-UHFFFAOYSA-N 296.392 0.409 0 50 CCAA CCn1ncc(C)c1NC(=O)CN1CCOC1=O 824512787 FBCOBARVFDCIDI-UHFFFAOYSA-N 252.274 0.602 0 50 CCAA CCc1nc(C)c(C(=O)NCCc2ncnn2C)o1 584885240 BTOLEBRUQGJNKU-UHFFFAOYSA-N 263.301 0.646 0 50 CCAA CO[C@H]1COC[C@@H]1Nc1nc2ccccc2n1CCO 584893799 UEAAKQUOSQZAII-AAEUAGOBSA-N 277.324 0.854 0 50 CCAA NC[C@@H]1CCCN(C(=O)NCCc2noc(C3CC3)n2)C1 670444400 IYHZELHBCMLXAK-JTQLQIEISA-N 293.371 0.870 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)C2CCOCC2)C1 670459546 IJTJNJKVQSWHLZ-SNVBAGLBSA-N 254.330 0.398 0 50 CCAA C[C@]1(C(=O)N2CCC(Cc3nn[nH]n3)CC2)CCCOC1 1548804632 UEDDNJLJHFYTCQ-AWEZNQCLSA-N 293.371 0.798 0 50 CCAA O=C(CN1CCC[C@H]1c1nccc(O)n1)NCC1CC1 1875274944 DFWSSYHKPZDUBC-NSHDSACASA-N 276.340 0.845 0 50 CCAA O=C(NC[C@]1(OCCO)CCSC1)c1ncc[nH]1 1875278510 GKGLVECVYGAMMM-LLVKDONJSA-N 271.342 0.024 0 50 CCAA COCCS(=O)(=O)N1C[C@H](OC)C[C@@H]1c1ncc[nH]1 888077557 IOECGZOWWNJBHG-NXEZZACHSA-N 289.357 0.148 0 50 CCAA CC(=O)NC[C@H]1CN(Cc2cc(C)on2)CCCO1 888103774 YGYQZDIGVQINOD-ZDUSSCGKSA-N 267.329 0.710 0 50 CCAA CN1C[C@H](c2ccnc(N3CCCC3)n2)C2(CNC2)C1 1775956240 FTDSYJYLZZRMRM-GFCCVEGCSA-N 273.384 0.695 0 50 CCAA COc1c(C(=O)N2CCC[C@@H](C(=O)O)C2)c(C)nn1C 165378472 ZNIASBHEVCIFAI-SECBINFHSA-N 281.312 0.674 0 50 CCAA CN1CC[C@H](NC(=O)CC(N)=O)[C@@H]1c1ccccc1 270618347 GSKKMWGKERMKIR-FZMZJTMJSA-N 261.325 0.423 0 50 CCAA CCCCN1CCOC[C@@H]1C(=O)N1CCC[C@H](O)CC1 408177022 ICWZSGSOOWZMMQ-UONOGXRCSA-N 284.400 0.861 0 50 CCAA CN(C)C(=O)c1cc(NC(=O)N2CC(N(C)C)C2)ccn1 272579135 MDMFMGMLOKDCBQ-UHFFFAOYSA-N 291.355 0.561 0 50 CCAA Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](O)C(=O)O)c1 275316989 RWJHHMSTPGYIAC-QMMMGPOBSA-N 293.728 0.372 0 50 CCAA CCOC(=O)C1(N)CN(C(=O)OCc2ccccc2)C1 169805657 DTJQQAMSJAVYLK-UHFFFAOYSA-N 278.308 0.899 0 50 CCAA in-vitro CN1CC[C@@H](C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 633984401 LYIYHUYMNBFBMC-BDAKNGLRSA-N 291.277 0.449 0 50 CCAA CC(C)(Oc1ccc(F)cc1)C(=O)NN1CC(=O)NC1=O 170600055 XUGKCQXBZULMKE-UHFFFAOYSA-N 295.270 0.566 0 50 CCAA Cc1c(CNC(=O)c2cncc3ncn(C)c23)cnn1C 585131907 JPJGBAQQNOJPDW-UHFFFAOYSA-N 284.323 0.940 0 50 CCAA Cc1noc(C)c1NC(=O)CN1CCCC[C@H](O)C1=O 644330916 PZKAMHPMBFCTHZ-JTQLQIEISA-N 281.312 0.603 0 50 CCAA CCC[C@H]1C(=O)NCCN1C(=O)c1cn(CC2CC2)nn1 577577599 YORYEWMXIYMDFU-LBPRGKRZSA-N 291.355 0.429 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cccnc1OC 209937797 OBDNHJRDPBGLLV-KOLCDFICSA-N 294.307 0.229 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2c(C)noc2C)C[C@@H]1O 216532798 UNWBCEWYGDIJBS-GWCFXTLKSA-N 268.313 0.639 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CC[C@H]1C(=O)O 526944195 COXMVTWJYMKWBY-OUAUKWLOSA-N 290.385 0.758 0 50 CCAA CS(=O)(=O)C1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1615555336 RRWYJKWBTAMNIK-VXGBXAGGSA-N 294.376 0.305 0 50 CCAA CC(C)N1C[C@@H](CN2CCCNC(=O)C2)CCC1=O 1775981538 VXSJAUWDODCWST-GFCCVEGCSA-N 267.373 0.455 0 50 CCAA O=C(c1cnc2ccccc2n1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772816137 KHTLJCJLRZSKSF-GHMZBOCLSA-N 299.330 0.303 0 50 CCAA CCN1CCn2c(CCn3cccn3)nnc2C1=O 1772814452 ZUUDBHSABDOGHW-UHFFFAOYSA-N 260.301 0.193 0 50 CCAA Cc1nonc1OCCNC(=O)[C@@H]1CC2CCN1CC2 1775978225 CYHCXHIJWWBPEC-NSHDSACASA-N 280.328 0.357 0 50 CCAA Cc1ccc(CNC(=O)CN2CC[C@H](N(C)C)C2)o1 19841523 JYBUJNKEHUEAAN-LBPRGKRZSA-N 265.357 0.840 0 50 CCAA CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CC2(C)C)CC1 151842436 ZVUOHQQUOIGNLM-LBPRGKRZSA-N 281.400 0.701 0 50 CCAA CCn1ccnc1[C@H](C)NC(=O)C1=NN2CCCN=C2N1 662901487 INJCWDLQPLZIFJ-VIFPVBQESA-N 289.343 0.059 0 50 CCAA O=C(Cc1ccccc1F)N[C@@H]1CCOC[C@H]1O 223599763 YDDSAFSLYJVCBZ-VXGBXAGGSA-N 253.273 0.634 0 50 CCAA COCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100099513 RHNBFXSXHUOITF-PHIMTYICSA-N 280.324 0.090 0 50 CCAA O[C@@]1(CN2CCc3ccccc3C2)CNCCOC1 77524992 LFFYLJJRRBAPKH-OAHLLOKOSA-N 262.353 0.396 0 50 CCAA O=C1NCC[C@@H]1N1C(=O)N[C@@]2(CCc3ccccc32)C1=O 849358010 VCWPWYKGWBYYDY-XHDPSFHLSA-N 285.303 0.268 0 50 CCAA CCC/C=C/C=C/[C@@H]1C[C@H](O)[C@@H](O)C(=O)[C@H]1CO 248261810 MPOXQBRZHHNMER-AQNPLBQLSA-N 254.326 0.818 0 50 CCAA biogenic Cn1nnnc1SCCNCc1cccnc1 2181795 ICSDWJHGSUPEIK-UHFFFAOYSA-N 250.331 0.487 0 50 CCAA O=C(O)CCCn1c(=O)[nH]c2cc3c(cc2c1=O)OCO3 4370958 NFVMLPMTMHSYSH-UHFFFAOYSA-N 292.247 0.283 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@H]1C(=O)O 117603269 DYMWLRVGPQDELA-NKWVEPMBSA-N 259.258 0.781 0 50 CCAA O=c1cc(N2CCOCC2)cnn1[C@H]1CCCNC1 170599420 DQFNECCOZXPFOP-NSHDSACASA-N 264.329 0.004 0 50 CCAA O=C(NCC1(Cn2cccn2)CC1)Nc1nc[nH]n1 23214254 FBWXKMXGMLBCBB-UHFFFAOYSA-N 261.289 0.603 0 50 CCAA CCOC(=O)CCNc1nccc(N2CCC[C@H](O)C2)n1 65399190 AFGCZAUTCIIXAH-NSHDSACASA-N 294.355 0.803 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](c2nc(C)n[nH]2)C1 229823185 IHDUUZNRZYQEKO-HBNTYKKESA-N 280.328 0.438 0 50 CCAA O=C1[C@@H](N2CCC[C@@H](Cn3ccnn3)C2)CCN1C1CC1 328609698 MZRLXHHDCNEESJ-OCCSQVGLSA-N 289.383 0.753 0 50 CCAA C[C@H](NC(=O)C(=O)O)C1(N2CCOCC2)CCCC1 364045420 LUUSQCPJZBPORU-JTQLQIEISA-N 270.329 0.221 0 50 CCAA C[C@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)CCN1 155248081 VUNHETHZOUMMAW-NSHDSACASA-N 291.351 0.375 0 50 CCAA Cc1cc(CC(=O)N2CC(F)(F)C[C@H]2CO)n[nH]1 366685276 TZTSEEGUVSNEGE-VIFPVBQESA-N 259.256 0.489 0 50 CCAA O=C(N1CCN2CCOC[C@H]2C1)C(F)(F)C1(O)CCC1 368218334 FQOKYMONDCODOC-SNVBAGLBSA-N 290.310 0.080 0 50 CCAA CN1C(=O)C[C@@H](NCC2=CCCOC2)[C@@H]1c1ccnn1C 284561539 OHCRNOKLUHPVIQ-IUODEOHRSA-N 290.367 0.628 0 50 CCAA NC[C@H](NC(=O)[C@H]1C[C@]12CCNC2)C1CCCC1 333646293 VCTXNSVZCWDBHY-DYEKYZERSA-N 251.374 0.620 0 50 CCAA O=C(CO)N1CCN(C[C@H]2CCOc3ccccc32)CC1 375292463 LSCHDWAUUXKGAN-CYBMUJFWSA-N 290.363 0.689 0 50 CCAA O=C(Cc1cccnc1)N1CCN(C2CCOCC2)CC1 81035045 DFUOYHZTGVGLHW-UHFFFAOYSA-N 289.379 0.947 0 50 CCAA CC(C)CN1CCN(C(=O)c2ccc[nH]2)C[C@H](O)C1 97568865 TXKHIVPDOQNTIB-GFCCVEGCSA-N 265.357 0.789 0 50 CCAA COCc1ccc(C(=O)N2CCOC[C@@H](O)C2)o1 96165531 NCXKLWACDPZFDC-VIFPVBQESA-N 255.270 0.259 0 50 CCAA Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCN(C)C1=O 95528721 WTDYMNUJNCADFS-JTQLQIEISA-N 290.323 0.446 0 50 CCAA Cc1cc(C)c(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c(=O)[nH]1 91636144 KKBLDNMQHHDSMF-NEPJUHHUSA-N 275.352 0.801 0 50 CCAA CN(C)c1nccc(CNC(=O)CC[C@@H]2CCCNC2)n1 621659920 VRKNLZOQEWSYRE-LBPRGKRZSA-N 291.399 0.939 0 50 CCAA Cc1cc(F)ccc1CC(=O)NC[C@@]1(O)CCCNC1 244882628 XVIFFOLPXWAVRV-OAHLLOKOSA-N 280.343 0.907 0 50 CCAA Cn1cc(O[C@@H]2CN(Cc3ccncc3)C[C@H]2O)cn1 625623910 DGDNEARHJFAAMR-ZIAGYGMSSA-N 274.324 0.439 0 50 CCAA O=C(CCCn1cnnn1)N1CC[C@@]2(O)CCCC[C@H]2C1 524732575 BNHSPMKUKPKZFR-JSGCOSHPSA-N 293.371 0.607 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@@H](CC(=O)O)CC2)CC1 299740882 BXPPADWDGYLMFH-SNVBAGLBSA-N 282.340 0.616 0 50 CCAA Cc1cnn(CCNC(=O)C2(Cn3cccn3)CC2)c1 534669353 VDUTUMLGRNPHGH-UHFFFAOYSA-N 273.340 0.985 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCC(CN)CC2)cn1C 534656620 CGRJEQDOLHGURI-UHFFFAOYSA-N 263.341 0.505 0 50 CCAA CCc1c(C)nn(CCNC(=O)C2=NNC(=O)CC2)c1C 299782460 FZJDUWFSXKIVPR-UHFFFAOYSA-N 291.355 0.445 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1Cc1ccncc1 299792889 HCMUSMXWLYIXFA-KBPBESRZSA-N 276.384 0.852 0 50 CCAA CN(CC(=O)N(C)CCn1ccnc1)Cc1cccnc1 823674925 GZADMFQDUVHNJN-UHFFFAOYSA-N 287.367 0.869 0 50 CCAA COC(=O)N[C@@H](C)C(=O)N1CCC(N2CCOCC2)CC1 584885075 OAEKYATYHJIUQK-NSHDSACASA-N 299.371 0.054 0 50 CCAA C[C@@H](C(=O)N(C)CCC1(O)CCCC1)N1CCN(C)CC1 584885760 XWXBESQRYKOXAD-AWEZNQCLSA-N 297.443 0.776 0 50 CCAA Cc1ncn(CCNC(=O)CCN2CCCC2=O)c1C 670467378 HIROBIVXCYRPDI-UHFFFAOYSA-N 278.356 0.629 0 50 CCAA O=C(OCCCF)N1CCO[C@@H](CN2CCOCC2)C1 952876638 DBHOCHZLDOBRLV-LBPRGKRZSA-N 290.335 0.516 0 50 CCAA CO[C@@H]1COCC[C@@H]1N1CCN(C(=O)OCCF)CC1 952963901 NDINDTRROKBROP-NWDGAFQWSA-N 290.335 0.514 0 50 CCAA C[C@@H]1C[C@H](C(=O)NCCc2nc(O)n[nH]2)CCC1=O 1875254697 OMQDZCIJFUMDDG-HTQZYQBOSA-N 266.301 0.174 0 50 CCAA O=C(NOC1CCC1)[C@@H]1CCCN1C(=O)c1cnccn1 1875260787 BSMSUXKIAIXMTJ-LBPRGKRZSA-N 290.323 0.682 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc(F)c(O)c2F)C[C@@H](CO)O1 1875293626 WYEJDGCWXNLIBG-SFYZADRCSA-N 287.262 0.892 0 50 CCAA CNC(=O)[C@@H]1CCCCN1CCOC[C@H]1CCCO1 241644231 PPKICXSRXFNDGX-OLZOCXBDSA-N 270.373 0.783 0 50 CCAA CC(C)(C)OC(=O)NC[C@]12CNC[C@H]1CS(=O)(=O)C2 958717915 POCMPGAXDAQJQV-CABZTGNLSA-N 290.385 0.145 0 50 CCAA C[C@H](OCC(F)(F)F)C(=O)N1CCO[C@H](C(=O)O)C1 408513453 NGFBCUBLQXKZPU-BQBZGAKWSA-N 285.218 0.266 0 50 CCAA Cc1cnc(C)c(NC2CCN(CC(N)=O)CC2)n1 88057821 JDJHNVPJGSGJIC-UHFFFAOYSA-N 263.345 0.455 0 50 CCAA CNc1ncc(C(=O)NCC[C@H]2CCCN2C)cn1 97527413 VOAZENUUQSJOEJ-LLVKDONJSA-N 263.345 0.732 0 50 CCAA CCN1CCC[C@]2(CCCN(C(=O)NCC(=O)O)C2)C1 1506417977 MRZIBCUZCLPJKU-AWEZNQCLSA-N 283.372 0.979 0 50 CCAA CC[C@@H](C(=O)OC)C(=O)N1CC[C@@H](N2CCCC2)C1 225629507 QLIRGVSTPPGATN-VXGBXAGGSA-N 268.357 0.882 0 50 CCAA COC(=O)c1scc(C)c1S(=O)(=O)NCCCN 226473571 LLLSYLYPIFFPNR-UHFFFAOYSA-N 292.382 0.470 0 50 CCAA C[C@@H]1CN(C[C@H](O)CC2(O)CCOCC2)C[C@@H]1N(C)C 630044771 YWTPLAWMLVAOTR-MCIONIFRSA-N 286.416 0.161 0 50 CCAA O=C(NCC1(C(=O)O)CCOCC1)c1ccco1 138134335 NVBPDQFNNQXUSU-UHFFFAOYSA-N 253.254 0.891 0 50 CCAA CC[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(C(=O)O)n1C 1605152337 UCKZYUXPASBIMF-ZJUUUORDSA-N 280.324 0.956 0 50 CCAA Cc1cnc2c(cnn2CC(=O)NC2CC3(C2)C[C@@H]3N)c1 1615545378 GHQDZNILZGRJMZ-AVERBVTBSA-N 285.351 0.736 0 50 CCAA CCOc1ncccc1C(=O)N1C[C@H](O)[C@@H](F)C1 1616103613 FVVUNEUJZDIRRX-UWVGGRQHSA-N 254.261 0.635 0 50 CCAA CCOC(=O)N1CCC(N2C[C@@H]3CNC[C@]3(CO)C2)CC1 1772707052 YVFZNCOTLLGTPG-SWLSCSKDSA-N 297.399 0.121 0 50 CCAA COC(=O)C1=CC(c2cccs2)=NS(=O)(=O)N1C 12849323 XSQXELXLIIEEPQ-UHFFFAOYSA-N 286.334 0.784 0 50 CCAA COc1ccc([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1 16971560 GYJZSOZJOMUDOZ-SECBINFHSA-N 286.291 0.835 0 50 CCAA Cn1cncc1C(=O)NC[C@@H]1COc2ccccc2O1 19143950 JCDLNSGQUDXWQF-SNVBAGLBSA-N 273.292 0.990 0 50 CCAA Cc1cccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1C 2836164 UBMJUIAXQDZGFM-UHFFFAOYSA-N 289.291 0.698 0 50 CCAA CCn1c(=O)c2c(nc3n(CC)c(C)cn23)n(C)c1=O 4250923 ALBSOUPLGOVCAX-UHFFFAOYSA-N 275.312 0.498 0 50 CCAA CC(=O)N1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CN)CC1 1857528423 DFJUXSVNFHBQDD-DGCLKSJQSA-N 282.388 0.424 0 50 CCAA O=C1NCCC[C@]12CN(CCC(F)(F)F)CC[C@H]2O 1857696423 ZORCRELPOIEZLV-MWLCHTKSSA-N 280.290 0.902 0 50 CCAA Cc1ccc(-n2[nH]c(C(=O)NCC(=O)O)cc2=O)cc1 237815385 JRXRYRAXXGCPKI-UHFFFAOYSA-N 275.264 0.288 0 50 CCAA C[C@]1(O)CCN(C(=O)COCc2ccccc2)C[C@H]1O 709962053 UGFBBJXEYLGRLA-HIFRSBDPSA-N 279.336 0.547 0 50 CCAA CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)O)O[C@@H]1OC(C)(C)O[C@H]21 2133939 HDDAMQVWECBJLO-WASRKXDBSA-N 274.269 0.468 0 50 CCAA biogenic,in-vitro COc1ccccc1OCCN(C)C(=O)[C@@H]1COCCN1 237144967 XFJMQJKGODGNTJ-LBPRGKRZSA-N 294.351 0.521 0 50 CCAA CCc1onc(C)c1C(=O)N1CCO[C@@H](CC(=O)O)C1 192888001 WBRDVPDOUWKOON-VIFPVBQESA-N 282.296 0.861 0 50 CCAA CN(C[C@@H]1CCS(=O)(=O)C1)C[C@@](C)(O)C(F)(F)F 407952852 ANWNZZGZABNXHX-DTWKUNHWSA-N 289.319 0.666 0 50 CCAA C[C@@](O)(CN1[C@H]2CC[C@H]1CC(=O)NC2)C(F)(F)F 407957845 OIPXWJVUPURJRG-OYNCUSHFSA-N 266.263 0.653 0 50 CCAA COC(=O)c1cncc(N(C)CC2(CO)CC2)n1 445614814 DEEGEELZNMYTDM-UHFFFAOYSA-N 251.286 0.472 0 50 CCAA CCc1cnc(NC[C@@H]2CCS(=O)(=O)C2)nc1 95392284 LXPBZXHGHACWFW-JTQLQIEISA-N 255.343 0.886 0 50 CCAA O=C(CCCc1cccs1)N[C@@H]1CNCC[C@@H]1O 1565529260 SGLPUXWQWOTYHZ-NEPJUHHUSA-N 268.382 0.910 0 50 CCAA O=C(N[C@H]1CO[C@@H]2[C@@H](O)CO[C@H]12)C1Cc2ccccc2C1 2100477672 GSPNJPACTGRLQP-BYNSBNAKSA-N 289.331 0.045 0 50 CCAA COc1ccc(Cl)cc1NC(=O)C[C@@H]1NCCNC1=O 3881142 HRCYDYJEGNBXNK-JTQLQIEISA-N 297.742 0.765 0 50 CCAA COC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OC(C)(C)C 4963287 KBYRFBWEIKLMLI-VIFPVBQESA-N 286.328 0.675 0 50 CCAA CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 172438667 HCAZMJVOVJBPIV-WDEREUQCSA-N 255.362 0.487 0 50 CCAA O=C(c1ccn2nnnc2c1)N1CC[C@]2(CCCNC2)C1 67833515 XAYRJNOIHQDVTM-AWEZNQCLSA-N 286.339 0.340 0 50 CCAA CCc1ncc(C(=O)NCCN2CCCOC2=O)cn1 65410675 HXEMPADXHHIRLA-UHFFFAOYSA-N 278.312 0.611 0 50 CCAA O=C(CCn1ccnc1)N1CCOC[C@]12CCOC2 281713620 GAHBDPRTLLKBQL-CYBMUJFWSA-N 265.313 0.291 0 50 CCAA C[C@@H](NC(=O)CN1CCOCC1)c1cn2ncsc2n1 219278310 IQHDSRRWUAXMBN-SECBINFHSA-N 295.368 0.300 0 50 CCAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cn[nH]c1 216371744 PZYWRZQMUAIECC-UHFFFAOYSA-N 291.355 0.820 0 50 CCAA Cc1cc2c(=N[C@@H]3CC[S@@](=O)C3)[nH]ccn2n1 330045971 IKVQYBFVWDMYFZ-VVVCHXIZSA-N 250.327 0.393 0 50 CCAA CC[C@H](CO)NC(=O)C1CCN(CC(F)F)CC1 330677539 VILJKLWYJVUEOF-SNVBAGLBSA-N 264.316 0.851 0 50 CCAA Cc1ccc(OCCN(C)C(=O)[C@H]2COC(=O)N2)cc1 71439449 HJNRZMGYMUFHLH-GFCCVEGCSA-N 278.308 0.941 0 50 CCAA O=C(c1cn2cc(Cl)cnc2n1)N1CCOC[C@@H](O)C1 77540918 PAKWEJJKPMLWAR-VIFPVBQESA-N 296.714 0.216 0 50 CCAA N[C@@H]1CCN(C(=O)c2ccc(-c3ncon3)cc2)C1 237928411 KBZNCUXOMTYBRK-LLVKDONJSA-N 258.281 0.910 0 50 CCAA O[C@H](CN1CCOCC1)CN1CCCC2(CCOCC2)C1 371753537 ALDAMRAXTKJVMH-OAHLLOKOSA-N 298.427 0.572 0 50 CCAA Cc1nn(C)c(C)c1CNC(=O)[C@H]1COCCO1 174078437 XYBWLYSNGIEUNP-LLVKDONJSA-N 253.302 0.069 0 50 CCAA CN1CCO[C@H]2CCN(C(=O)c3ncc(F)cc3F)C[C@H]21 284353352 DIDNCHYOIKESTJ-NEPJUHHUSA-N 297.305 0.905 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2cc(NCC3CC3)ncn2)C1 284455606 GXVCOXFNBNEIGD-QWRGUYRKSA-N 291.355 0.378 0 50 CCAA CNC(=O)CCCNc1cc(C2CC(O)C2)ncn1 220186082 DAUGHMJOFRKAFD-UHFFFAOYSA-N 264.329 0.653 0 50 CCAA Cn1cc(C(=O)N2CCN(C3CC3)CC2)ccc1=O 195129273 UESPUZWAKDFBAC-UHFFFAOYSA-N 261.325 0.306 0 50 CCAA Cc1cc(=O)cc(C(=O)N[C@@H]2CCCN(C)C2)o1 223785501 AMXJFBLTNFNYRM-SNVBAGLBSA-N 250.298 0.772 0 50 CCAA CS(=O)(=O)NCCC(=O)N[C@@H]1COc2ccccc2C1 193601795 NXBBVHUXXNDULY-NSHDSACASA-N 298.364 0.046 0 50 CCAA CSC[C@H](NC(=O)CCc1cnccn1)C(=O)O 426716855 JGOLSZLLBWGSRP-VIFPVBQESA-N 269.326 0.342 0 50 CCAA CO[C@H]1C[C@@H](O)C12CCN(c1cc(N)ncn1)CC2 91424776 LQVDNZKZZGILLU-ZJUUUORDSA-N 264.329 0.425 0 50 CCAA CN1C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)CC1=O 238321089 JCWVJGRONWQGDE-SSDOTTSWSA-N 258.274 0.149 0 50 CCAA O=C(Cn1cn[nH]c1=O)N1CCC[C@@H]2CCC[C@@H]21 180575189 CFAOVIFTZVGEDX-UWVGGRQHSA-N 250.302 0.363 0 50 CCAA CC(C)(C)C[C@@H](N)C(=O)NCCSc1cnn[nH]1 244900178 ZXPRBSHDBYDGBZ-MRVPVSSYSA-N 271.390 0.777 0 50 CCAA O=C(NC1(C(=O)O)CCOCC1)c1ccn(C(F)F)n1 244764048 PAHZELRNMBICMU-UHFFFAOYSA-N 289.238 0.642 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccnc2ccnn12 626898398 QEVUXYCOBCKVDO-IUCAKERBSA-N 273.296 0.126 0 50 CCAA O=C(NCc1cc2ccccc2o1)[C@H]1C[C@H](O)CN1 299747630 DLVROJOSCOTRAK-CMPLNLGQSA-N 260.293 0.772 0 50 CCAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]1C[C@H](O)CN1 299747648 DNYVRGGUJOVKDM-XQHKEYJVSA-N 270.373 0.421 0 50 CCAA CC[C@@H](CNc1cncc(C(N)=O)n1)N1CCOCC1 534644692 XDUVSVANYRCMKN-JTQLQIEISA-N 279.344 0.098 0 50 CCAA N[C@@H]1CC[C@H](C(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 534662143 DAUHJQJINWOCDK-NWDGAFQWSA-N 286.339 0.610 0 50 CCAA Cc1ccnc(CNC(=O)[C@H]2CCCCn3nnnc32)c1 534654513 VLOCHERLOKPLCJ-LBPRGKRZSA-N 286.339 0.960 0 50 CCAA O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@@H]1CCCNC1 534633665 KIYWJQRPLPMCHF-ZCFIWIBFSA-N 277.250 0.439 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCOCC1)C1CCC1 534666252 BUWIASSSNDNEAP-RYUDHWBXSA-N 254.330 0.002 0 50 CCAA Cc1nc(C)c(C(=O)N2CCOC[C@@H](C(=O)O)C2)o1 700397852 BQNYYPRAMABWJN-VIFPVBQESA-N 268.269 0.465 0 50 CCAA COCCN1C[C@@H](CN(C)Cc2cc[nH]n2)CC1=O 299774378 CJYKKUJGBQDFMV-LLVKDONJSA-N 266.345 0.336 0 50 CCAA CC[C@H](NS(=O)(=O)CC(=O)c1ccccc1)C(=O)O 725375892 PJIUJGKIIZTVOV-JTQLQIEISA-N 285.321 0.652 0 50 CCAA Cc1noc(C)c1C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 826846890 CZKDVTMJTBARNT-NXEZZACHSA-N 263.297 0.841 0 50 CCAA CCOC1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 584904075 WMGNPWXQVUJGDM-SNVBAGLBSA-N 275.370 0.449 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCN(Cc2ccccc2)C(=O)C1 584901920 YGOBFGRIJLUUGQ-UHFFFAOYSA-N 299.334 0.598 0 50 CCAA COCCN1C[C@H](c2ncnn2CC(C)(C)O)CCC1=O 824412395 NGJADGXKDMNUAJ-LLVKDONJSA-N 296.371 0.401 0 50 CCAA CN1CCN(C(=O)CCc2ccncc2)C[C@H]1CCO 584898516 YGFCCMXYPOTJHL-CQSZACIVSA-N 277.368 0.539 0 50 CCAA Cc1nnc(CCNC(=O)NC(C)(C)CO)s1 584896982 ONNNZONNNZONPK-UHFFFAOYSA-N 258.347 0.459 0 50 CCAA C=CC(=O)N(C)CC(=O)N(C)C1CC(OCC)C1 861728357 GGWXFNAQSWRJPN-UHFFFAOYSA-N 254.330 0.657 0 50 CCAA Cc1nn(CCCNC(=O)CCn2cncn2)c(C)c1C 670437824 WPRXGNHTWUSSOZ-UHFFFAOYSA-N 290.371 0.996 0 50 CCAA CNC(=O)c1cccnc1N1C[C@@H]2CCC[C@H](C1)C(=O)N2 670434615 VVTYJSNCJOUQHM-MNOVXSKESA-N 288.351 0.546 0 50 CCAA CCc1nnc(CN(C)S(=O)(=O)N(C)C(C)C)o1 670453150 JHIHZKWHEMHSJC-UHFFFAOYSA-N 276.362 0.649 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(O)cn1 1296223953 SLQFKOWLCPLYEA-JQWIXIFHSA-N 266.297 0.711 0 50 CCAA CC(C)c1cc(C(=O)N2CCOC[C@@H]2C(=O)O)nn1C 268966159 CTZFTWIHFWMXFA-LLVKDONJSA-N 281.312 0.469 0 50 CCAA C[C@](N)(CO)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 1875273567 KJZQXSPBPQMJRK-ZBFHGGJFSA-N 288.347 0.699 0 50 CCAA CCn1nc(C(=O)NOC[C@@H](C)O)c2ccccc2c1=O 1875295700 OIVHKTRTJGXGHI-SECBINFHSA-N 291.307 0.459 0 50 CCAA O=C(NC[C@@]1(OCCO)CCSC1)c1ncc[nH]1 1875278511 GKGLVECVYGAMMM-NSHDSACASA-N 271.342 0.024 0 50 CCAA C[C@@H](OCC1CC1)C(=O)N=c1nc[nH]n1-c1ncccn1 1875302755 FXWHMXCSARRFFY-SECBINFHSA-N 288.311 0.233 0 50 CCAA O=C(N[C@H]1C[C@@H](Cn2cncn2)C1)c1cc[n+]([O-])cc1 1875323940 DGWIHMWHEJXCNH-KLPPZKSPSA-N 273.296 0.120 0 50 CCAA O[C@H](Cn1cnc(-c2ccccc2)n1)C1(O)CCOCC1 899877341 IFMCMNHJOPJZEO-CYBMUJFWSA-N 289.335 0.848 0 50 CCAA NC(=O)[C@@H]1COCCN1c1ncnc2ccsc12 273374226 SBBCMCUTORCVBE-QMMMGPOBSA-N 264.310 0.382 0 50 CCAA O=C1C[C@@H](C(=O)N(C[C@H]2CCCN2)C2CC2)CCN1 186536301 FYYUKUJTJWOOJQ-WDEREUQCSA-N 265.357 0.256 0 50 CCAA CC(C)C(=O)NCCNC(=O)c1cncc(Cl)c1O 170608001 NLUKMGKKCCGRML-UHFFFAOYSA-N 285.731 0.943 0 50 CCAA OC[C@]1(NC2CCN(c3nccs3)CC2)CCOC1 186650788 MTRRJSUNAWYNNJ-CYBMUJFWSA-N 283.397 0.853 0 50 CCAA CCOc1cnc(C(=O)N2CCC[C@@H](NC(C)=O)C2)cn1 186836459 COBPXQPDEJJJRN-LLVKDONJSA-N 292.339 0.616 0 50 CCAA COC(=O)[C@H]1[C@H](O)CCCN1Cc1cnc2ccccn12 189593250 KKDWSGJWKWIKRZ-TZMCWYRMSA-N 289.335 0.833 0 50 CCAA Cn1cc([C@@H]2CSCCN2Cc2ncnn2C)cn1 191218898 KQFDAIAVCNIKQD-NSHDSACASA-N 278.385 0.839 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1cn2cccnc2n1 644181462 BJESOEXYMZDELG-CQSZACIVSA-N 290.323 0.795 0 50 CCAA CCN1CCN([C@H]2CCN(Cc3ccnc(N)c3)C2)CC1 191488250 PFGXLWRQXPQNTG-HNNXBMFYSA-N 289.427 0.876 0 50 CCAA C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)[C@H]1CCCO1 585125440 SJWVHYUXLFHLFX-LMLFDSFASA-N 254.330 0.632 0 50 CCAA Cc1ccnc(N2CCN(C(=O)c3ccc(O)nc3)CC2)n1 679282875 RZZRRVGTTBXRPW-UHFFFAOYSA-N 299.334 0.848 0 50 CCAA CN(C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529110300 LPOSEMIGXSZYAP-NEPJUHHUSA-N 282.727 0.984 0 50 CCAA O=C(NC[C@@H](C(F)F)n1cccn1)c1cnccn1 1615549538 QRKPCXSVVQSFBX-VIFPVBQESA-N 267.239 0.909 0 50 CCAA Nc1nc(CCC(=O)N2CCOC[C@H](C(=O)O)C2)cs1 1772816519 OVAHYSQCGZJWIX-MRVPVSSYSA-N 299.352 0.218 0 50 CCAA CCN(CC)c1cc(N2C[C@H]3C[C@@H](O)[C@H]3C2)nc(N)n1 1775977418 IZZMEUGDCBAQSA-OUAUKWLOSA-N 277.372 0.722 0 50 CCAA CN1CCN(c2ccc(S(C)(=O)=O)c(N)c2)CC1 15443189 PBZZYGNLAYOKNJ-UHFFFAOYSA-N 269.370 0.424 0 50 CCAA O=C(CN1CCN(CCO)CC1)c1ccc(F)cc1 19891647 MRLYDBBTUFWQDE-UHFFFAOYSA-N 266.316 0.618 0 50 CCAA O=C(c1cnc2ccccn2c1=O)N(CCO)C1CCC1 222089837 CUVHDRWQWFWDMB-UHFFFAOYSA-N 287.319 0.682 0 50 CCAA CCn1c(=O)c2c(nc3n(C)c(C)cn23)n(C)c1=O 4250892 LEAHRZXLPKARSU-UHFFFAOYSA-N 261.285 0.015 0 50 CCAA CCC[C@H](O)[C@H](CO)NC(=O)c1ccc(C(N)=O)cc1 424062999 WQMMKFXCOLSWJA-RYUDHWBXSA-N 280.324 0.037 0 50 CCAA Cc1n[nH]cc1C(=O)N1CCOC[C@H]1c1ncon1 331528966 DOCXWZBJOWVJCV-VIFPVBQESA-N 263.257 0.315 0 50 CCAA COc1cc(OC)nc(C(=O)N(C)c2ccc(C)nn2)n1 903638907 PJEGCQGYYJQLMY-UHFFFAOYSA-N 289.295 0.869 0 50 CCAA O=C(Cn1cnc2sccc2c1=O)Nc1cnn[nH]1 807923106 OFRHWHHYYRMSCA-UHFFFAOYSA-N 276.281 0.215 0 50 CCAA Cc1nc2c(C(=O)N(C)[C@H]3CCNC3)ccnc2[nH]1 911789293 VCHYYGXKMDMVFF-VIFPVBQESA-N 259.313 0.700 0 50 CCAA CCn1cc(S(=O)(=O)Nc2cc(C(=O)O)n(C)n2)cn1 821089704 MNQISYKDMLNAQF-UHFFFAOYSA-N 299.312 0.136 0 50 CCAA CO[C@H](C(=O)N[C@@H]1CCC[C@@H]1C(=O)O)[C@H]1CCOC1 659154881 WGXVBKLRAQNUNC-MMWGEVLESA-N 271.313 0.407 0 50 CCAA CCc1nsc(N[C@H]2CCCN(S(C)(=O)=O)C2)n1 301497945 DDLSQEOULXTZMA-QMMMGPOBSA-N 290.414 0.936 0 50 CCAA Cc1nnsc1CN(C)C(=O)C1=NNC(=O)CC1 67491296 MZTCLEQRMVMCFF-UHFFFAOYSA-N 267.314 0.071 0 50 CCAA O=C(NCCCc1nn[nH]n1)[C@@H]1Cc2ccccc2S1 426683785 JCCAMYZVPKCLCV-NSHDSACASA-N 289.364 0.966 0 50 CCAA O=C(O)CNC(=O)N1CCN(Cc2cccs2)CC1 426662382 VUHMCVHJZVJPAP-UHFFFAOYSA-N 283.353 0.660 0 50 CCAA CN(C)S(=O)(=O)CCN1CCc2ccc(O)cc2C1 332723699 PAMUEYQCSSWSNT-UHFFFAOYSA-N 284.381 0.642 0 50 CCAA CN(C)S(=O)(=O)[C@@H]1CCCN(CCC(C)(C)O)C1 367222303 BJHBHDMAVCCRSG-LLVKDONJSA-N 278.418 0.503 0 50 CCAA Cn1cnc2nc(=NCCc3cccnc3)[nH]cc21 2100477193 NURZYLOQBBVXAZ-UHFFFAOYSA-N 254.297 0.835 0 50 CCAA Cn1[nH]c(=NC(=O)[C@@H]2CCC(=O)N2)cc1C1CCCC1 2325796876 ZTDICHLVKVWZMO-JTQLQIEISA-N 276.340 0.717 0 50 CCAA CCOC(=O)[C@H](Sc1cc(C)nc(N)n1)C(C)=O 616475 PAUCTRRADXDUBD-SECBINFHSA-N 269.326 0.980 0 50 CCAA CCc1[nH]nc(NC(=O)CCn2cnnn2)c1CC 2356162783 JXYXRADLWLWCJC-UHFFFAOYSA-N 263.305 0.550 0 50 CCAA COC(=O)C[C@H]1CNC(N2CCc3ccccc32)=NC1=O 22126988 HERVVUKBZRJELE-NSHDSACASA-N 287.319 0.714 0 50 CCAA Cc1nc(C(=O)NC2(C(N)=O)CCCC2)cs1 65453915 GSSUZXIHGFWNMD-UHFFFAOYSA-N 253.327 0.979 0 50 CCAA C[C@@H]1C[C@@H](N2CCC[C@H]2Cn2cncn2)C(=O)O1 247829147 KMOFNNJZGYOJNH-OUAUKWLOSA-N 250.302 0.447 0 50 CCAA O=C([C@H]1CCCO1)N1CCCN(c2ncccn2)CC1 20149475 MVVTYGKIYJMEFB-GFCCVEGCSA-N 276.340 0.694 0 50 CCAA CN(C[P@](=O)(O)CN1CCCCC1)S(C)(=O)=O 22108492 UNMAPOOGSZAKQZ-UHFFFAOYSA-N 284.318 0.549 0 50 CCAA CCn1cnnc1CCN[C@@H](C)C(=O)Nc1nccs1 65405023 LTHSBZSFBGRYRM-VIFPVBQESA-N 294.384 0.914 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2CCn3ccnc3C2)nc(O)n1 328633086 SKIZMDKBSCFGNE-SNVBAGLBSA-N 287.323 0.680 0 50 CCAA CC(C)(C)n1cnc(=NC(=O)N2CCOCC2)[nH]1 329561242 MPCUFSSSNFOVDR-UHFFFAOYSA-N 253.306 0.319 0 50 CCAA COCc1nc(CNC(=O)Cc2csc(C)n2)no1 72425442 YXLXLQBVNNLYBH-UHFFFAOYSA-N 282.325 0.840 0 50 CCAA C[C@H](NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccnc1 283056408 KFSPKGIOJCXURS-UTUOFQBUSA-N 291.351 0.895 0 50 CCAA O=C(NCc1cnc2c(c1)CCC2)[C@@H]1NCCc2[nH]cnc21 72440453 ZKWRSXKFVCZDTG-OAHLLOKOSA-N 297.362 0.797 0 50 CCAA CCc1nccn1CCC(=O)NCCN1CCCC1=O 219169416 DDVBOTDLJUNVSD-UHFFFAOYSA-N 278.356 0.574 0 50 CCAA CCc1cc(N2C[C@H](F)C[C@H]2C(N)=O)nc(C)n1 284526833 JLGUCSFAYBVZHE-SCZZXKLOSA-N 252.293 0.750 0 50 CCAA Cc1cccc(C)c1C(=O)N1CC[C@@](O)(C(N)=O)C1 286556012 RVQLEEPPYGVGCD-AWEZNQCLSA-N 262.309 0.366 0 50 CCAA C[C@@](O)(C(=O)NCCC(=O)NCc1cccnc1)C1CC1 286905604 JXQSQLMMJUCBQU-HNNXBMFYSA-N 291.351 0.365 0 50 CCAA CCO[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@@H]1O 220235597 MPKISOKGSWVYPN-RYUDHWBXSA-N 267.329 0.177 0 50 CCAA O=C(CN1CCC[C@@H](O)C1)NCc1noc(C2CCC2)n1 220136020 DDHOFXFTHUKOEL-LLVKDONJSA-N 294.355 0.410 0 50 CCAA CCn1ccc(C(=O)N[C@@H]2CCOC[C@H]2OC)n1 220015286 XZBSPUPHKSBVJK-MWLCHTKSSA-N 253.302 0.437 0 50 CCAA COc1cc(F)c(C(=O)N[C@H](CO)C(=O)O)c(F)c1 426634199 MXIBAKWMGKGTBB-MRVPVSSYSA-N 275.207 0.149 0 50 CCAA O=C(NCCCC[C@@H]1CCCO1)c1c[nH]c(=O)[nH]1 220615880 PEXPMRFMORZGSY-SECBINFHSA-N 253.302 0.782 0 50 CCAA O=C(N[C@@H]1COCC[C@H]1O)c1c[nH]c(=O)c2ccccc12 220629798 COVVOSXFBUWJJS-CHWSQXEVSA-N 288.303 0.408 0 50 CCAA O=C(NCCn1ccnn1)[C@@H]1CCCN2CCCC[C@H]12 426401765 HQHVZQCDXBNBDG-CHWSQXEVSA-N 277.372 0.659 0 50 CCAA Cc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)c1 222251658 BMZYEQKNCJNHEB-DVZHBHJUSA-N 285.299 0.800 0 50 CCAA Cc1cn2cc(C(=O)N(CCO)CCO)ccc2n1 82134842 BJPGQDQDVOLUDC-UHFFFAOYSA-N 263.297 0.070 0 50 CCAA C[C@H](C(=O)NCCc1ncnn1C)N1CCCCC1 426662633 ZXQHLNSKJGNHTM-LLVKDONJSA-N 265.361 0.348 0 50 CCAA CN(CCN(C)C1CCCC1)C(=O)c1cncc(=O)[nH]1 426668167 AFWCUPRGTYIXPD-UHFFFAOYSA-N 278.356 0.716 0 50 CCAA CN(C)[C@H]1CCCN(Cc2cn[nH]c2C(=O)O)C1 97527316 FKYUUPRUXXSROR-JTQLQIEISA-N 252.318 0.634 0 50 CCAA O=C(CCc1[nH]nc2c1CCCC2)NCc1nnn[nH]1 97815410 SCXLLGRFMGTFTP-UHFFFAOYSA-N 275.316 0.051 0 50 CCAA NC(=O)[C@@H]1CN(Cc2cccc3[nH]ccc23)CCO1 92735847 MIFMLBSTRVFDKJ-ZDUSSCGKSA-N 259.309 0.854 0 50 CCAA COCC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299746068 VBRDYRXFXKEAIK-NSHDSACASA-N 264.329 0.793 0 50 CCAA CCOC(=O)CNS(=O)(=O)Cc1ccccc1 2901288 BRXLJSUPZNCIOC-UHFFFAOYSA-N 257.311 0.669 0 50 CCAA CC(C)CN1C[C@H](C(=O)NCCn2ccnn2)CCC1=O 299794588 KEFCAHWIUJRNLS-GFCCVEGCSA-N 293.371 0.289 0 50 CCAA CCc1nc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)no1 299785703 RMZOODUCWSLLQV-QWRGUYRKSA-N 290.327 0.569 0 50 CCAA COc1cc(OC)nc(N[C@@H]2CC=CC[C@H]2C(N)=O)n1 824845732 BZPMTHVAOUWNSO-RKDXNWHRSA-N 278.312 0.726 0 50 CCAA CN(CC(=O)NCCN1CCCC1=O)Cc1cccnc1 823715116 PNAIHAUGQKQZGH-UHFFFAOYSA-N 290.367 0.252 0 50 CCAA O=C(NCc1nc(O)n[nH]1)c1cnc2c(c1)CCCC2 584888208 JAUJPNMKJBTCJO-UHFFFAOYSA-N 273.296 0.714 0 50 CCAA Cc1c(C(=O)N2CCN(C)[C@@H](CCO)C2)ccn1C 584885597 MYAGGYODCGFXCW-LBPRGKRZSA-N 265.357 0.472 0 50 CCAA Cc1ccnc(Cn2cnc3onc(C)c3c2=O)n1 865369708 HGFBZZMPSGUQPG-UHFFFAOYSA-N 257.253 0.840 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1N1CCCC1)O[C@@H]1CCOC1 952877539 QXMHHQQHZNEMHI-JHJVBQTASA-N 284.356 0.755 0 50 CCAA COc1nc(=N)[nH]c2c1cnn2CC[C@@H]1CCOC1 1875281292 ZZQPCVCHZGIHAN-MRVPVSSYSA-N 263.301 0.674 0 50 CCAA CCn1ncc(C(=O)N2CC(O)(C(F)(F)F)C2)c1C 1875275130 DDNMGZNQBOBMEK-UHFFFAOYSA-N 277.246 0.961 0 50 CCAA Cc1[nH]nc(C(=O)N2CC(O)(c3ccccc3F)C2)c1O 1875301189 CSKXEVZPFYIEKD-UHFFFAOYSA-N 291.282 0.906 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H]1CC[C@H]2CN(C)C[C@@H]2C1 1875376718 GPPOJTUHUCPOOI-LLSFEVHBSA-N 265.401 0.951 0 50 CCAA Cn1ccnc1CNCCN1CCC[C@H](CO)C1 952968957 GKXGGMWWTHQOTL-LBPRGKRZSA-N 252.362 0.214 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)NCc1cncnc1N 276853423 YCXPXIIZIOYXIH-WCBMZHEXSA-N 250.302 0.490 0 50 CCAA Cn1c(Cl)cnc1CN1CCC[C@@](O)(c2cnn[nH]2)C1 583617362 AMVRGCMFBGCEPL-LBPRGKRZSA-N 296.762 0.675 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2OCC[C@H]2C)C[C@@]1(C)C(=O)O 710148775 JOZDFJUURHWZTE-VWMGYNLJSA-N 255.314 0.981 0 50 CCAA COc1ccncc1NC(=O)[C@H]1CCN(C)C(=O)C1 194738011 XJHICERLTHJOQG-VIFPVBQESA-N 263.297 0.897 0 50 CCAA NC(=O)N1CCC[C@H](C(=O)N2CCC3(CCCO3)CC2)C1 1506400818 YFHCDMMANNQPLM-LBPRGKRZSA-N 295.383 0.949 0 50 CCAA CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 13791363 YSGRCJZNLXCJGC-JTQLQIEISA-N 260.359 0.280 0 50 CCAA CC(=O)c1ccc(C(=O)N2C[C@@H]3[C@@H](C2)C3(CO)CO)s1 1857709354 SLTLIZCQRRBSHZ-NXEZZACHSA-N 295.360 0.624 0 50 CCAA Cc1csc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)n1 1857727183 MPYLPCWKIRPVIA-IVZWLZJFSA-N 269.370 0.556 0 50 CCAA CCNC(=O)[C@@H]1CCN(c2ncc(OC)cn2)C1 1529104000 JUULBIUHSYINAP-SECBINFHSA-N 250.302 0.448 0 50 CCAA CCC[C@]1(CO)CCN(c2n[nH]c(=N)s2)C[C@@H]1O 1875244745 SEGCVDUKTAACPL-GZMMTYOYSA-N 272.374 0.300 0 50 CCAA Cn1ncc(Cl)c1S(=O)(=O)N[C@@]1(C)CCOC1 408382931 FQFXQNLHMZYENG-VIFPVBQESA-N 279.749 0.531 0 50 CCAA COc1ccccc1CC(=O)NC[C@H](O)C(F)F 230238039 IPQZMQNVUNDSED-VIFPVBQESA-N 259.252 0.980 0 50 CCAA CCN(C1COC1)S(=O)(=O)c1c(C)cnn1C 331741981 BBDNSARRMVZEFU-UHFFFAOYSA-N 259.331 0.138 0 50 CCAA COC[C@@H]1CN(C(=O)CN2CCCC2=O)CC(C)(C)O1 343735116 PUTREQXPGHOOLS-NSHDSACASA-N 284.356 0.261 0 50 CCAA CCc1nc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)n[nH]1 1704333461 AHHDRLMEZSFERQ-OUAUKWLOSA-N 277.372 0.714 0 50 CCAA CCc1ncc(S(=O)(=O)N2CCC[C@@H](C3(O)CC3)C2)[nH]1 1772804260 KQBOELZKXSJFIW-SNVBAGLBSA-N 299.396 0.898 0 50 CCAA CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1C(C)C 2223762 IRACCIZVXUKPDN-GHMZBOCLSA-N 297.355 0.008 0 50 CCAA O=C(c1n[nH]c2c1COCC2)N1CCC[C@H]1C1(O)CC1 1772814489 CCZIGHHPVRSERM-NSHDSACASA-N 277.324 0.612 0 50 CCAA Cc1cc(=O)cc(O)n1C[C@@H]1CCS(=O)(=O)C1 1772491346 PITVBDXUORMNBT-VIFPVBQESA-N 257.311 0.297 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)NCc1cccn2nccc12 1772804635 BUXFIQWDUMMISX-UHFFFAOYSA-N 285.307 0.930 0 50 CCAA Cc1cc(N2CCC(C(N)=O)CC2)c2nncn2n1 16622491 GOOIZRZTDDQSLG-UHFFFAOYSA-N 260.301 0.134 0 50 CCAA COc1cccnc1CN1CCc2c(O)nc(=N)[nH]c2C1 1857682172 RBKGQLJTUKJETE-UHFFFAOYSA-N 287.323 0.557 0 50 CCAA CC(=O)c1cc(CC(=O)N2CC[C@H](CO)[C@H](O)C2)cs1 1857725710 JEUACQPFVUKKKX-VXGBXAGGSA-N 297.376 0.695 0 50 CCAA CNS(=O)(=O)N1CCNC[C@@H]1c1ccccc1Cl 903497570 KHXYJQFMGWIWDA-LLVKDONJSA-N 289.788 0.751 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2[nH]ccc2C)C1 818486839 JDEXSCBYYLCMNM-CQSZACIVSA-N 279.340 0.426 0 50 CCAA O=S(=O)(NCCc1cnoc1)N1C[C@H]2CC[C@H]1C2 907384113 JUCZNLBLKZGYLZ-ONGXEEELSA-N 271.342 0.536 0 50 CCAA O=C(CN1CCC[C@@]12CCS(=O)(=O)C2)N1CCCC1 1875299183 BWMWBAFXDAJPBA-ZDUSSCGKSA-N 286.397 0.262 0 50 CCAA CO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]2[C@@H]1O 1857790612 IPNUFAHKROGNMZ-VCACHIOZSA-N 274.313 0.416 0 50 CCAA CS(=O)(=O)C1CN(c2ncncc2Br)C1 407974086 BVZNFPRBXKDPPO-UHFFFAOYSA-N 292.158 0.472 0 50 CCAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1sccc1Cl 579493843 UXFQZONMLGAQPJ-RNFRBKRXSA-N 295.769 0.289 0 50 CCAA Cn1nnc(CNC[C@H]2CCOc3ccccc32)n1 365945361 LMKUBXNHLWWKAO-SNVBAGLBSA-N 259.313 0.866 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)c1ccc(F)cc1C 1615629260 SYUMRCSPQIEVCA-NWDGAFQWSA-N 252.289 0.851 0 50 CCAA CN(CCn1ccc2ccccc21)C(=O)Cc1nnn[nH]1 67605657 XUZHDHZVEAVZON-UHFFFAOYSA-N 284.323 0.856 0 50 CCAA Cc1ccn2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)nc2c1 331784399 QNDOBYLLQFDVBL-JTQLQIEISA-N 293.348 0.560 0 50 CCAA CN1C[C@@H](CNC(=O)c2ccccc2N(C)C)OCC1=O 217928881 JMHHHFSSCWLTKT-LLVKDONJSA-N 291.351 0.340 0 50 CCAA Cc1c([C@@H](C)NS(=O)(=O)c2ccnn2C)cnn1C 330928997 YADNWMDUGCGJAG-MRVPVSSYSA-N 283.357 0.502 0 50 CCAA C[C@H](NC(=O)CCCN)C(=O)NCc1ccccc1 155614858 ZTWRHGQUIMUWIW-NSHDSACASA-N 263.341 0.546 0 50 CCAA O=C(NCCC1(O)CCOCC1)[C@@H]1[C@@H]2CCCO[C@H]21 367718486 YJBRNOFEHSITBU-QJPTWQEYSA-N 269.341 0.459 0 50 CCAA O=C([C@@H]1CCCO1)N1CCNC[C@H]1c1cccnc1 261968681 NASZLWHOQPLMEV-STQMWFEESA-N 261.325 0.734 0 50 CCAA O=C(CCn1cc(Cl)cn1)N1CCOC[C@@H](O)C1 77380072 QWRAQCAXXMHPHS-JTQLQIEISA-N 273.720 0.146 0 50 CCAA C[C@@H](C(=O)N1CCO[C@H](CC(=O)O)C1)C1CCOCC1 263292815 RLXJTAXEQJZMIZ-ZYHUDNBSSA-N 285.340 0.751 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1cnc2cccnn12 72140399 CTPGYBYJADLGGZ-VIFPVBQESA-N 290.279 0.045 0 50 CCAA CCc1nc(NC(=O)NCc2nccn2CC)nn1C 48159267 CYBBXFIANCOZTQ-UHFFFAOYSA-N 277.332 0.916 0 50 CCAA CCn1nccc1CCN1CCO[C@@H](c2nc(C)n[nH]2)C1 241231268 KTLMELADQHXZSC-CYBMUJFWSA-N 290.371 0.946 0 50 CCAA Cc1csc(CNC(=O)C2(C(=O)N(C)C)CC2)n1 241923242 UEFDDUQQJMNYMZ-UHFFFAOYSA-N 267.354 0.936 0 50 CCAA CCN1CCN(CC(=O)N(C)CCc2noc(C)n2)CC1 223457101 ZHSUTZGHDQTEHZ-UHFFFAOYSA-N 295.387 0.016 0 50 CCAA CN1CC[C@@H](C(=O)N2CCN(C3CC3)CC2)CC1=O 195130198 FZZYGORSVGVHMD-LLVKDONJSA-N 265.357 0.161 0 50 CCAA CSc1nc(C(=O)NCc2n[nH]c(N)n2)cs1 223226993 VZUZXIJPWLYPBU-UHFFFAOYSA-N 270.343 0.495 0 50 CCAA COC[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)[C@@H]2CCO[C@@H]21 220634833 JZZWMIGFMQVBKO-VLEAKVRGSA-N 251.286 0.189 0 50 CCAA O=C1CN(C(=O)NCc2ccc(F)c(F)c2)CCCN1 426413018 TVQKSILNXUMSEH-UHFFFAOYSA-N 283.278 0.996 0 50 CCAA O=C(Cc1ccsc1)N[C@@H]1CCOC[C@H]1OCCO 223403367 VZAGGCCHABVJCQ-VXGBXAGGSA-N 285.365 0.573 0 50 CCAA CCN1CCC[C@H](C(=O)NCCc2cc[nH]n2)C1 426548899 WLTNGUTYMSFFIC-NSHDSACASA-N 250.346 0.800 0 50 CCAA CN(C)S(=O)(=O)NCCCN1CCC[C@@H](C(=N)O)C1 330463542 ZVUCZOLGGPYNHY-SNVBAGLBSA-N 292.405 0.020 0 50 CCAA O=C(NCC(F)(F)F)N1CCN(c2nc[nH]n2)CC1 426658451 PHLDJSWVYPEMEQ-UHFFFAOYSA-N 278.238 0.199 0 50 CCAA C[C@@H](O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(F)cc1 618911059 AWBDMLRATJSQOQ-ZWNOBZJWSA-N 294.326 0.927 0 50 CCAA COC[C@]1(O)CCN(C(=O)c2cnn(C)c2)CC1(C)C 91547677 JHHAESIUTHOVHE-CQSZACIVSA-N 281.356 0.670 0 50 CCAA Cc1nnc(CN(C)Cc2cnn(CCC(=O)O)c2)o1 97475478 NWFMFEYGXJQYPX-UHFFFAOYSA-N 279.300 0.681 0 50 CCAA CO[C@@H]1CN(c2ncc(C)cn2)C[C@H]1c1cnn[nH]1 621335949 FIVPSRREHUTRPZ-GXSJLCMTSA-N 260.301 0.522 0 50 CCAA C[C@H](NCc1ccc(Cn2cccn2)cc1)C(N)=O 95502985 PWYOLUMWUGSIHW-NSHDSACASA-N 258.325 0.895 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)COC[C@@H]1CCOC1 299741335 DUKYMIPAMSMNJL-ZJUUUORDSA-N 257.286 0.115 0 50 CCAA O=C(O)CN(C(=O)[C@H]1CCOC1)C1CCOCC1 299748180 GITLBHLXZHOVCN-VIFPVBQESA-N 257.286 0.115 0 50 CCAA Cc1ccc2c(c1)C(=O)N(CCN(C)C)CC(=O)N2 534647259 JQHRJKKKMDRWHI-UHFFFAOYSA-N 261.325 0.951 0 50 CCAA Cc1nccn1[C@@H](C)CC(=O)NCCn1cncn1 299769878 NYVBYSBOQSAMPA-JTQLQIEISA-N 262.317 0.551 0 50 CCAA c1c[nH]c(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 299802732 WHPVNJPODRDQAB-QWRGUYRKSA-N 260.301 0.347 0 50 CCAA OC[C@H]1CCCN(CCN=c2cc[nH]cc2F)C1 828711231 SZWJNHZGAXMAMH-NSHDSACASA-N 253.321 0.759 0 50 CCAA Cc1nonc1CNC(=O)CN1CCCCCC1 827832250 DMKKGWOHOPSHEB-UHFFFAOYSA-N 252.318 0.870 0 50 CCAA CCCCS(=O)(=O)N1CCN(C)[C@@H](CCO)C1 822880439 QFCMGFRKJTVSAW-NSHDSACASA-N 264.391 0.115 0 50 CCAA Cn1cc(CCCn2cnc3nccnc3c2=O)cn1 584887634 YWLZSDUGDNVOKS-UHFFFAOYSA-N 270.296 0.553 0 50 CCAA CN(C)C1(CNC(=O)c2cncc(=O)[nH]2)CCCCC1 584903698 HSABNOWVORELKJ-UHFFFAOYSA-N 278.356 0.764 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCNC3)[C@@H]2C1 584883223 LLSFMUDMFIAXRO-AXFHLTTASA-N 297.355 0.788 0 50 CCAA O=C(c1ccoc1)N1CCCN(C[C@@H]2COCCO2)CC1 670437028 UOHUEMRQAYIIQT-CQSZACIVSA-N 294.351 0.843 0 50 CCAA Cc1nncn1CCN1CCN(C(=O)CC(C)C)CC1 670461939 FVGRUKWYWJGDPI-UHFFFAOYSA-N 279.388 0.777 0 50 CCAA COc1ccc(O)c(C(=O)N2CC[C@](OC)(C(=O)O)C2)c1 630254067 LIDSJQPGDONQIC-CQSZACIVSA-N 295.291 0.717 0 50 CCAA CC[C@H](OC)C(=O)Nc1cnc(N2CCNCC2)nc1 1875270146 AMXWXTGCNHTSLG-NSHDSACASA-N 279.344 0.250 0 50 CCAA CO[C@@]1(C)C[C@H](NS(=O)(=O)c2cn[nH]c2)C1(C)C 1875261115 MKGRFYNJTMGWEJ-ONGXEEELSA-N 273.358 0.892 0 50 CCAA c1cc(OCCN2C[C@@H]3C[C@H]2CO3)cc(-c2nn[nH]n2)c1 1875330149 PVMROVADQYBSEJ-AAEUAGOBSA-N 287.323 0.719 0 50 CCAA O=C(NCC1CCOCC1)C1(c2nc[nH]n2)CCOCC1 1875323439 IWEAZYMPVILHJO-UHFFFAOYSA-N 294.355 0.396 0 50 CCAA CCN(CC)S(=O)(=O)N1Cc2c[nH]nc2C[C@H](C)C1 952993500 IAKDZFYKEQMRHT-JTQLQIEISA-N 286.401 0.991 0 50 CCAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@H]1O 71873569 YKDLEHPCPKSCPK-NEPJUHHUSA-N 263.293 0.569 0 50 CCAA in-vitro CCOC(=O)CN(C)C(=O)c1cnc2[nH]ncc2c1 1333204489 OKNZNSZBODGKAM-UHFFFAOYSA-N 262.269 0.593 0 50 CCAA CC(C)n1cncc1CN1CCN(C)[C@H](C(=O)O)C1 243956756 CDLSFYZREWQIAA-LBPRGKRZSA-N 266.345 0.665 0 50 CCAA O=C(CN1CCCCCCC1=O)OC[C@H]1COC(=O)N1 888093468 VHXKRZBDBLSSNB-JTQLQIEISA-N 284.312 0.431 0 50 CCAA CN(C)c1ccnc(C(=O)NCC[C@H]2CSCCN2)c1 888095891 DQNCMYLBJALXIN-NSHDSACASA-N 294.424 0.973 0 50 CCAA CC1(C(=O)NCc2nc(-c3ccccn3)n[nH]2)COC1 1775987725 YUNXBRPZUMCAPW-UHFFFAOYSA-N 273.296 0.519 0 50 CCAA O=S1(=O)CCN(Cc2[nH]nc3c2CCCC3)CC1 19218878 AETWRPKNNJFUGU-UHFFFAOYSA-N 269.370 0.519 0 50 CCAA O=C(O)[C@@]12C[C@@H]1CCN2S(=O)(=O)c1ccccc1 222022979 JNWMJNLRZRSSRF-JOYOIKCWSA-N 267.306 0.924 0 50 CCAA CCn1nccc1S(=O)(=O)N[C@@H]1CCO[C@H]1C 274546486 GCCLTDRAZQXKHP-DTWKUNHWSA-N 259.331 0.359 0 50 CCAA O=C(CCC1CCC1)N1CCC[C@H](N2CCNCC2=O)C1 186629127 GITLCDZETJOPRF-AWEZNQCLSA-N 293.411 0.990 0 50 CCAA CC(C)[C@@H](C)NC(=O)CN1CCOC[C@@]12CCOC2 193713912 FQMIPDDJBPZVJZ-OCCSQVGLSA-N 270.373 0.638 0 50 CCAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 407961337 DHYHBOFPGMQRMC-XNDJQWLSSA-N 275.370 0.493 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)[C@@H](OC)C1CC1 668294029 OTMZCJQZNQMVTH-GWCFXTLKSA-N 271.313 0.504 0 50 CCAA Cn1ccnc1C(=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1704297416 RAVRKZXRYDOAEB-OLZOCXBDSA-N 286.335 0.491 0 50 CCAA Cn1ccnc1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704298798 KKSJGUHRKODDKO-OLZOCXBDSA-N 286.335 0.803 0 50 CCAA C[C@H](NC(=O)CN1CCOCC1)c1cncc(F)c1 330810932 LQSXCGOENMBPDP-JTQLQIEISA-N 267.304 0.730 0 50 CCAA O=C(O)CN1C(=O)c2cccc(Cl)c2S1(=O)=O 1602060451 AVNUMCXWSWTPPT-UHFFFAOYSA-N 275.669 0.569 0 50 CCAA Cc1ccccc1OCC(=O)N1CCN(C=O)CC1 468594 BSKOEYNFKWDFAV-UHFFFAOYSA-N 262.309 0.674 0 50 CCAA CS(=O)(=O)N1C[C@H](C(=O)O)Oc2ccc(Cl)cc21 1399648 DBLMTKDBFGZVBA-SECBINFHSA-N 291.712 0.952 0 50 CCAA Cc1nc([C@H]2CC[C@@H](O)[C@H](N)C2)n(CCc2cnc[nH]2)n1 1857735283 BFNQIOFLMXSSHT-CYZMBNFOSA-N 290.371 0.508 0 50 CCAA CCCN(C(=O)c1cnccn1)[C@@H]1CC(=O)N(C)C1=O 253393005 QZEZTCHGNDKIAS-SNVBAGLBSA-N 276.296 0.086 0 50 CCAA O=C1C[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)CO1 854554996 VGFSUCRJZWNGJC-ZETCQYMHSA-N 263.253 0.105 0 50 CCAA O=S(=O)(N[C@@H]1CCOC[C@H]1O)c1ccc(F)c(F)c1 218977953 WEXNCXYDJDOKNT-GHMZBOCLSA-N 293.291 0.393 0 50 CCAA CC[C@H]1C(=O)NCCN1C(=O)C[C@@H](N)c1ccccc1 110689897 VJGKVUAWEFSNPR-OLZOCXBDSA-N 275.352 0.814 0 50 CCAA OCCN(c1cc(N2CCOCC2)ncn1)C1CCC1 225489719 NGFNEIHJJNXOLX-UHFFFAOYSA-N 278.356 0.664 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N1CCC(n2ccnc2)CC1 261899161 AEECYCLROIBWGL-YPMHNXCESA-N 278.356 0.424 0 50 CCAA NC(=O)COc1ccc(NC(=O)C2(C(=O)O)CC2)cc1 262344037 ZJSPLXGIGHKHLT-UHFFFAOYSA-N 278.264 0.354 0 50 CCAA COC[C@@H]1CN(C(=O)C2(N)CCCCC2)CCO1 262491851 XRDBOUYONDXDDN-NSHDSACASA-N 256.346 0.522 0 50 CCAA O=C(NCc1ccc2c(c1)OCCCO2)[C@@H]1C=CCN1 534664716 WROVNOZXTDQMRL-LBPRGKRZSA-N 274.320 0.992 0 50 CCAA CN(C)C1CCN(C(=O)c2cnc(N)s2)CC1 584898846 DXHJONPCITWJJE-UHFFFAOYSA-N 254.359 0.892 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CCCCc2cnn[nH]2)CC12CC2 2325762991 VWFIHKGXUFCPJZ-LLVKDONJSA-N 292.339 0.841 0 50 CCAA Cc1nnc(SCC(=O)NCc2n[nH]c3c2CCC3)o1 1506431687 VNUWGQJSPFRVOC-UHFFFAOYSA-N 293.352 0.998 0 50 CCAA CCc1nc2n(n1)C[C@@H](N[C@H](CC)Cn1cncn1)CC2 328840050 OQSYJSGXLSVMRG-NEPJUHHUSA-N 289.387 0.815 0 50 CCAA CN1C(O)=N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C3CC3)CC[C@@H]21 329148994 YPNWWQQOXHYATQ-YFKTTZPYSA-N 263.341 0.861 0 50 CCAA O=C(COCc1ccccc1)NC[C@H]1COCCO1 215696946 QNSWTVKMWCBZBB-ZDUSSCGKSA-N 265.309 0.735 0 50 CCAA Cc1nc([C@@H]2CN(C(=O)[C@H]3C[C@H]4CC[C@H]3O4)CCO2)n[nH]1 329739369 NINQYJXRJVYPSE-KXNHARMFSA-N 292.339 0.581 0 50 CCAA O=C(NC[C@H](O)c1ccccc1Cl)[C@@H]1COCCN1 151444850 OAKUXPJCVGWYBP-RYUDHWBXSA-N 284.743 0.478 0 50 CCAA CC1(C)CN(C(=O)c2nc(O)nc(O)c2N)[C@H]1C1CC1 330212918 DYDHBJSMNPFZBH-VIFPVBQESA-N 278.312 0.731 0 50 CCAA CCO[C@H]1C[C@H]1C(=O)N(C)Cc1cnc(N(C)C)nc1 332150501 OIEIYMFZOQIBGL-NEPJUHHUSA-N 278.356 0.926 0 50 CCAA CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc[nH]2)C1 72121678 GFZGBVUQHSCWCS-ZDUSSCGKSA-N 251.330 0.543 0 50 CCAA CC(=O)N1CC(NC(=O)c2cccc3c2OCO3)C1 173032662 JRMGWGOILDTFFI-UHFFFAOYSA-N 262.265 0.376 0 50 CCAA OC[C@@H]1COCCN(CCn2cc(Cl)cn2)C1 77487676 WUPYUBCHOQLLPQ-SNVBAGLBSA-N 259.737 0.477 0 50 CCAA CN1CCO[C@@H](C(=O)N2CCC(C3CCOCC3)CC2)C1 157079554 XPGUSPFTGPBZQL-OAHLLOKOSA-N 296.411 0.982 0 50 CCAA CCC[C@@]1(C2CC2)NC(=O)N(CC2(CO)COC2)C1=O 374512341 GBPUZANPUZFXOW-AWEZNQCLSA-N 282.340 0.496 0 50 CCAA Nc1ncccc1CN1CC[C@H]2NCCC[C@]2(C(=O)O)C1 72150231 HVBBWYOUHYBYAV-DOMZBBRYSA-N 290.367 0.693 0 50 CCAA NC(=O)[C@@]1(O)CCCN(CCCC2CCOCC2)C1 375529087 YJMSKPNOLHKYKD-CQSZACIVSA-N 270.373 0.505 0 50 CCAA CC(C)n1cnnc1CCNC(=O)C(=O)c1cccn1C 221452550 WZYRCUVKPLHMFX-UHFFFAOYSA-N 289.339 0.739 0 50 CCAA CCc1nnc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)s1 426497347 ZAIXYAOGIHHXEH-SSDOTTSWSA-N 289.382 0.151 0 50 CCAA COCCN(CC1CC1)C(=O)c1nnc2nc(C)ccn12 426387674 MAPIXIQSOZYTNK-UHFFFAOYSA-N 289.339 0.931 0 50 CCAA CCCN(C(=O)c1cn(C)nc1C)[C@@H]1CCNC1 178886338 GODMQZBGGZKIMG-LLVKDONJSA-N 250.346 0.943 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CCN1 179182814 DNDHECRJTRHIOP-HRDYMLBCSA-N 293.289 0.264 0 50 CCAA COc1ccc([C@@H](NC(=O)CO)[C@H]2C[C@@H](O)C2)cn1 243932051 BRWNYRLRXFHPMM-GBIKHYSHSA-N 266.297 0.011 0 50 CCAA COc1c[nH]c(C(=O)N2CCSCC2)cc1=O 604419280 HHRSBKLLWCWSRG-UHFFFAOYSA-N 254.311 0.573 0 50 CCAA Cc1cnn(CCC(=O)N2CCOC[C@@H]2CC(=O)O)c1 252497504 QJPJPESVNLSPFF-NSHDSACASA-N 281.312 0.284 0 50 CCAA CNS(=O)(=O)CCN(C)c1ncc(C(C)=O)s1 2325780595 ZBOHGEZKXPRHOE-UHFFFAOYSA-N 277.371 0.331 0 50 CCAA CC(C)c1nccn1CCNc1ccc2nnnn2n1 1333795848 HZFLLJZGSOWDGB-UHFFFAOYSA-N 272.316 0.951 0 50 CCAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](O)C2 823597289 YKXSGVLURVLKSM-LLVKDONJSA-N 292.383 0.140 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)CN(C)C1CCCC1 823350083 RTZQCXJJQKXLEU-KBPBESRZSA-N 283.416 0.696 0 50 CCAA Cc1ccoc1C(=O)N1C[C@H](O)[C@@H](N2CCN(C)CC2)C1 670469704 FHLQHPGRMXJUDF-STQMWFEESA-N 293.367 0.021 0 50 CCAA CS(=O)(=O)CCN1CCC[C@H](c2cc[nH]n2)C1 670452421 CJONGRLHDBGKFF-JTQLQIEISA-N 257.359 0.634 0 50 CCAA Cc1[nH]ccc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942011 LCUWMTYJDFOEAK-NWDGAFQWSA-N 276.296 0.622 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)NCCC1(O)CCOCC1)C2 1553487190 RMNWCSZGOZHSBP-FZMZJTMJSA-N 283.372 0.051 0 50 CCAA O=C([C@H]1CCO1)N1CCC(c2nnc(O)o2)CC1 1875266410 JXJVNBCYELCJEU-MRVPVSSYSA-N 253.258 0.270 0 50 CCAA O=C(O)[C@@H]1CC=CC[C@@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1875291611 FZBBQQZNSWXJAW-IEECTRCBSA-N 295.335 0.574 0 50 CCAA CC[C@H](C)[C@@H](N)C(=O)N[C@@](C)(COC)C(=O)OC 1875264892 VUCZHMDAFYDEIY-SBMIAAHKSA-N 260.334 0.054 0 50 CCAA C=CC(=O)NC[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1875368163 WENMQACHZPFZHM-MNOVXSKESA-N 272.370 0.493 0 50 CCAA CCCC[C@H]1C(=O)N(C)CCN1S(=O)(=O)N(C)C 952971205 FYGVBIIXLLDSBL-JTQLQIEISA-N 277.390 0.126 0 50 CCAA NC[C@H]1CCCN1C(=O)N[C@@H]1CCCc2c[nH]nc21 891692196 WUZIEDNGMYTONA-GHMZBOCLSA-N 263.345 0.920 0 50 CCAA Cc1nccn1CCCN(C)C[C@@H]1COCCO1 244900089 ZVVHVTRVFIJNKA-CYBMUJFWSA-N 253.346 0.929 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCc3cnccc32)N(C)C1 888102279 KKDIDYQQPNNMHL-AAEUAGOBSA-N 261.325 0.690 0 50 CCAA O=C1CN(c2nccn(C3CC3)c2=O)CN1C1CC1 408452237 OOZQKFAGSYFNLA-UHFFFAOYSA-N 260.297 0.347 0 50 CCAA CCOc1cccc(C(=O)N2CC(C(=O)NC)C2)c1 186201003 OIJCJEYHAGBORX-UHFFFAOYSA-N 262.309 0.903 0 50 CCAA O=C(O)c1cccc(CNC(=O)N2CCO[C@@H](CO)C2)c1 167352923 VLSSASHTDYTCOB-GFCCVEGCSA-N 294.307 0.288 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cccnc1OC 643943832 MYLWATJJBMWEAM-CQSZACIVSA-N 293.323 0.197 0 50 CCAA Cn1ccc(CC(=O)N2CCCC[C@@H]2CC(=O)O)n1 653319570 SZYXLGFNHFPSAT-LLVKDONJSA-N 265.313 0.818 0 50 CCAA O=C(COc1cccnc1)NOC1CCOCC1 772713555 ZUTLAGHFDRKYAR-UHFFFAOYSA-N 252.270 0.687 0 50 CCAA CN(C)c1nccnc1N1C[C@H](O)[C@@H](N2CCCCC2)C1 1506415054 JUJOZQAGQXIBNB-STQMWFEESA-N 291.399 0.578 0 50 CCAA CN(C)C(=O)CN1CCCN(CC[C@@H]2CCOC2)CC1 1460779014 DNPLFNJSPZKUMF-CQSZACIVSA-N 283.416 0.509 0 50 CCAA CN1C[C@@H](CN2CCN(C)C3(CCNCC3)C2)CCC1=O 1800411101 FKVCBRGAMQRNTI-AWEZNQCLSA-N 294.443 0.224 0 50 CCAA NCCNC(=O)CN1C(=O)CCCc2ccccc21 261550715 NAALAOPBHVTAMH-UHFFFAOYSA-N 261.325 0.431 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)C2(N)CC(O)C2)C1(CC)CC 1616040447 KAXWRWSXROIVKC-HFXYEQLZSA-N 284.400 0.939 0 50 CCAA Cc1ccccc1NC(=O)CCN1CCN(CCO)CC1 19852662 UGBBYKZSFSMXTO-UHFFFAOYSA-N 291.395 0.934 0 50 CCAA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1 169694056 PKBOQYMJBKCFPT-DVZHBHJUSA-N 285.299 0.800 0 50 CCAA [O-][n+]1onc2c1CC[C@@H]1N(O)[C@@H](c3ccccc3)C[C@@]21O 4197904 KCRYRGHFKYXPRM-DYEKYZERSA-N 289.291 0.647 0 50 CCAA Nc1cc(N)nc(SCC(=O)Nc2nncs2)n1 2768997 AOPPFLGANLVELN-UHFFFAOYSA-N 283.342 0.223 0 50 CCAA Cc1cccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)O)C2)c1 1704300245 ZRWVFPDBTYMMNN-NWDGAFQWSA-N 299.348 0.451 0 50 CCAA O=C(Cn1cncn1)N1c2ccccc2C[C@@H]1CO 912315168 AFQOAIDDKOWWOO-LLVKDONJSA-N 258.281 0.228 0 50 CCAA NC(=O)[C@@](O)(CN1CCO[C@H](C2CC2)C1)c1ccccc1 851950893 AKTUBWBSSMXECM-GOEBONIOSA-N 290.363 0.470 0 50 CCAA O=C(NCc1nc(C(F)(F)F)cs1)[C@@H]1COCCN1 237856293 CVPDTDJTXJUUCN-LURJTMIESA-N 295.286 0.767 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CC(=O)O)C1 262411847 ACJNJZMCDNXLML-OPRDCNLKSA-N 257.286 0.114 0 50 CCAA O=C(NCC(O)(C1CC1)C1CC1)c1cnns1 664399838 RIBXYYXNYHNAJQ-UHFFFAOYSA-N 253.327 0.819 0 50 CCAA CC[C@H](C)NC(=O)C1CCN(S(C)(=O)=O)CC1 261923 NYEHCLMEJPRGCJ-VIFPVBQESA-N 262.375 0.573 0 50 CCAA CC[C@@H](CO)NC(=O)[C@@H]1COc2ccccc2O1 307707 NIPZFDUTMPPYOZ-CABZTGNLSA-N 251.282 0.714 0 50 CCAA C[C@@H](NC(=O)C(C)(C)NC(=O)c1cccs1)C(N)=O 55255073 NJKKCJNINWIFSR-SSDOTTSWSA-N 283.353 0.247 0 50 CCAA CCCNc1ncc(CN2CCN(C)C(=O)[C@@H]2C)cn1 67540082 YQVYCAPYFYNCKO-NSHDSACASA-N 277.372 0.961 0 50 CCAA CNC(=O)c1n[nH]c2c1[C@@H](CCSC)CC(=O)N2 65404530 GOXXLOSFWBHLHL-LURJTMIESA-N 268.342 0.948 0 50 CCAA Cc1cc(CC(=O)N2CCN(C)C(=O)C2)cc(C)n1 1857691684 WKLXCFFGCKLYKA-UHFFFAOYSA-N 261.325 0.542 0 50 CCAA CCC[C@@H]1C[C@H]1NC(=O)c1cnc(COC)[nH]c1=N 331960758 LNAKQAWQMSETRA-PSASIEDQSA-N 264.329 0.954 0 50 CCAA CN1CCN(C(=O)[C@H]2CCCO2)C[C@H]1c1ncc[nH]1 328621910 IBCBMZDOJMPBTO-WDEREUQCSA-N 264.329 0.404 0 50 CCAA CCn1cc(S(=O)(=O)N[C@@H]2CC[C@@H](N)C2)c(C)n1 71730231 KVCVVWSOBHLFHH-NXEZZACHSA-N 272.374 0.370 0 50 CCAA Cc1nc[nH]c1CSCCNC(=O)C[C@@H]1COCCN1 72126495 RDUWTCKFPHCDOV-LLVKDONJSA-N 298.412 0.446 0 50 CCAA C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc[nH]2)C1=O 173386539 ZFZZUCXFKWYCRN-AWEZNQCLSA-N 290.323 0.351 0 50 CCAA C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc(O)n1 283631820 OLIUMZWQLLSLIR-LLVKDONJSA-N 293.367 0.704 0 50 CCAA Cc1nn(C(C)C)cc1CN1CCO[C@H](C)[C@H]1C(N)=O 284654004 PQTVHNWCOGHVHS-YPMHNXCESA-N 280.372 0.847 0 50 CCAA CCc1ocnc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C 222354710 SFXCXFFGJTVLGO-MWKLQFHZSA-N 279.340 0.684 0 50 CCAA CC(=O)NC(C)(C)C(=O)NCCc1nnc(C)s1 426402115 VNISDAWBOGJJJO-UHFFFAOYSA-N 270.358 0.420 0 50 CCAA Cc1c(C(=O)N2CCO[C@H](C(=O)O)C2)cnn1C(C)(C)C 178280267 KIWWQXUIGUURSZ-NSHDSACASA-N 295.339 0.872 0 50 CCAA O=C(NCc1nnn[nH]1)c1cnc2c(c1)CCCC2 97732947 WHIDPYOANGXBHC-UHFFFAOYSA-N 258.285 0.404 0 50 CCAA COCn1nc(Br)nc1C(=O)NC(C)C 98213447 MLPBFOGQTQQYMK-UHFFFAOYSA-N 277.122 0.783 0 50 CCAA CC(C)=CC(=O)N1CCN(C)[C@@]2(CCNC(=O)CC2)C1 91746496 TTZWJQJLJUCQRJ-HNNXBMFYSA-N 279.384 0.766 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@H]2CNC[C@@]2(C(=O)O)C1 238135614 ZSVSNUDKCSHAQF-TVQRCGJNSA-N 270.329 0.918 0 50 CCAA Cc1n[nH]c(CC(=O)N2C[C@@H](C)[C@](O)(C(C)C)C2)n1 91304167 PMILNWBRVMOMJJ-NOZJJQNGSA-N 266.345 0.521 0 50 CCAA Cc1cc(NCCSc2nnnn2C)nc(N)n1 91643558 CRTYPKGSEUQHIU-UHFFFAOYSA-N 266.334 0.095 0 50 CCAA CC(=O)N1CCCN(CCC(=O)Nc2cccnc2)CC1 244707874 KJCGNXUYSJSGQF-UHFFFAOYSA-N 290.367 0.964 0 50 CCAA Cc1cc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)ccn1 624423915 ZMJLNJHNGBHXJH-ZIAGYGMSSA-N 274.324 0.752 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2CCCCN2)CC1=O 299750930 OUWYHQLMTXDLBD-KKOKHZNYSA-N 265.357 0.254 0 50 CCAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CC[C@H](C(=O)O)C1 299741385 FMQVTVJIMDQPIB-SDDRHHMPSA-N 285.340 0.894 0 50 CCAA O=C(CCCn1cccn1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 534576690 GOBKDLLHBYEPTJ-KPWCQOOUSA-N 274.368 0.872 0 50 CCAA C[C@@H](OC[C@@H]1CCCO1)C(=O)NCC1=CCNCC1 263160819 YQPXKYKJRCDBBA-YPMHNXCESA-N 268.357 0.606 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(OC)c2)CN1 299775774 KGKANTOPCVJDEV-JQWIXIFHSA-N 278.308 0.329 0 50 CCAA CNC(=O)c1noc(CNC(=O)c2nc(C)sc2C)n1 299777470 DQKBTTNXWRIORE-UHFFFAOYSA-N 295.324 0.433 0 50 CCAA CCN1Cc2ccccc2C[C@@H]1c1n[nH]c(CC(N)=O)n1 823118471 QUNODRDCCUCKEY-GFCCVEGCSA-N 285.351 0.952 0 50 CCAA CCc1ocnc1C(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 584902710 HXJJISMTUKZKSN-RYUDHWBXSA-N 293.367 0.908 0 50 CCAA O=C(CCCN1CCOCC1)NCC1(CO)CCC1 584886807 IFKSKOFKXUUVFD-UHFFFAOYSA-N 270.373 0.378 0 50 CCAA CCc1ncnc(N2CCN(CCOC)CC2)c1F 270997182 XYVDKVBTJXLPDK-UHFFFAOYSA-N 268.336 0.947 0 50 CCAA O=C(c1cnn2cnnc2c1)N1CC[C@@H](O)C12CCCC2 1875321347 FIPNBISOIMADDZ-LLVKDONJSA-N 287.323 0.644 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1n[nH]c2c1CCC2 889197297 YIDOWKFPEBZOQL-GHMZBOCLSA-N 265.313 0.432 0 50 CCAA Cn1cc(Cl)cc1C(=O)N[C@@H]1CNC[C@@H]1n1ccnn1 886077563 JLGFEKDYEKBJMO-KOLCDFICSA-N 294.746 0.213 0 50 CCAA OCC(CO)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1 1565525607 POCGUOIBYSYISP-KBPBESRZSA-N 285.315 0.305 0 50 CCAA O=C(O)[C@H](C(=O)NCc1ncc[nH]1)C1CCCC1 663108489 RFAZWMRRPICQNL-JTQLQIEISA-N 251.286 0.917 0 50 CCAA CC(C)=CC(=O)NC[C@@H](O)CN(C)C(=O)C=C(C)C 408517788 UCLVVSKVSPMAAZ-GFCCVEGCSA-N 268.357 0.854 0 50 CCAA CCOC[C@H]1CCCN(C(=O)[C@H]2CNCCO2)C1 187779546 JWZGANRZUDVWLV-NWDGAFQWSA-N 256.346 0.250 0 50 CCAA O=C(N[C@]1(C(=O)O)CCc2ccccc21)[C@@H]1COCCO1 675990884 LQGSIJZTYWZJTD-SWLSCSKDSA-N 291.303 0.444 0 50 CCAA C[C@H](N)[C@H]1CN(C(=O)Cc2ccccc2F)CCO1 195542216 PHPPCKGHEXQWDO-GXFFZTMASA-N 266.316 0.943 0 50 CCAA CC(C)n1ccc(CC(=O)N2CCN3CCOC[C@@H]3C2)n1 754460123 MIVMLIXIEMYDQP-AWEZNQCLSA-N 292.383 0.550 0 50 CCAA COC[C@]1(C)CCN(S(=O)(=O)NC(C)C)C1 907217272 ORDJBXQOZFAKJT-SNVBAGLBSA-N 250.364 0.588 0 50 CCAA Cc1ncc(Cl)c(N2CCN(CCO)CC2)n1 1704310519 ZJKKUOCUMASHTD-UHFFFAOYSA-N 256.737 0.553 0 50 CCAA CC(C)n1cc(S(=O)(=O)N[C@H]2C[C@@](C)(O)C2)cn1 331798818 RNUYCKUOPRVQPB-JGZJWPJOSA-N 273.358 0.656 0 50 CCAA C[C@@H]1CCN(C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 334475992 MVHXLZCORGOAAU-NXEZZACHSA-N 252.318 0.158 0 50 CCAA CC(C)c1nnc(N2C[C@H]3[C@H](C2)C3(CO)CO)s1 1772803961 MUILFYVNFQOFRZ-IUCAKERBSA-N 269.370 0.699 0 50 CCAA O=C(CSc1ccncc1)N1CCOC[C@H]1CO 168484794 PWLNLDWPPNSDQP-SNVBAGLBSA-N 268.338 0.393 0 50 CCAA NC(=O)[C@]1(O)CCN(C(=O)[C@H]2CCCc3ccccc32)C1 240902808 IVMQOWDZXIUNAT-BBRMVZONSA-N 288.347 0.555 0 50 CCAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCOC[C@@H]1C(=O)O 262523334 RCPIZMBFJFRPEJ-LDYMZIIASA-N 295.339 0.452 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1n1cc(C(=O)O)nn1 399826373 VFMXWEMTRIFFST-BDAKNGLRSA-N 298.299 0.441 0 50 CCAA O=C1C[C@@H](C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CN1 110360714 ZUQMCGPGSLXNGS-MWLCHTKSSA-N 278.312 0.137 0 50 CCAA CS(=O)(=O)c1ccc(CN2C[C@H]3CCN[C@H]3C2)cc1 247506024 GVZOHEKQVNDZEW-OCCSQVGLSA-N 280.393 0.884 0 50 CCAA c1nc2n(n1)CCC[C@@H]2N=c1[nH]ccn2cnnc12 333272887 HNZMEXZBLDJWCV-QMMMGPOBSA-N 256.273 0.085 0 50 CCAA CN1CCN(C(=O)C[C@@H]2CCCC[C@@H]2N)CCC1=O 688922356 SVECHGHECYKEPZ-RYUDHWBXSA-N 267.373 0.585 0 50 CCAA Cn1cncc1C(=O)N1CC[C@]2(C(=O)O)CCC[C@H]12 711662817 JPQLUOCVHZJASW-GXFFZTMASA-N 263.297 0.890 0 50 CCAA O=C(O)C1=NO[C@@H]2CN(C(=O)N3C[C@H]4CCC[C@H]4C3)C[C@H]12 2325807316 QIVUSFPWTDUWFS-ZRUFSTJUSA-N 293.323 0.610 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 220609 KXNNJXCMDWPUTM-SNVBAGLBSA-N 262.375 0.573 0 50 CCAA CCOc1cccc(CN(C)[C@H]2CNC[C@@H]2O)n1 415099920 LXKMKYDDZYDMAJ-RYUDHWBXSA-N 251.330 0.245 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 26897695 UDAAVVGTVULJRE-LBPRGKRZSA-N 269.301 0.596 0 50 CCAA CN1CC[C@H](N2CCCC[C@@H](S(C)(=O)=O)C2)C1=O 328616541 SPTYCAJXFHSNHA-MNOVXSKESA-N 274.386 0.116 0 50 CCAA O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCC[C@@](O)(Cn2ccnn2)C1 328931262 HUORTGWMMGOKTO-JLNYLFASSA-N 290.367 0.678 0 50 CCAA O=C(NCc1ccc2c(c1)CCCO2)[C@@H]1CNCCO1 72161021 LOZGAKZORIDARK-AWEZNQCLSA-N 276.336 0.616 0 50 CCAA Cc1cc([C@@H]2CCCN2C(=O)CN2CCOCC2=O)no1 363938827 PFWZULCQFBDJCD-LBPRGKRZSA-N 293.323 0.505 0 50 CCAA C[C@@H]1CN(C(=O)Cc2cncnc2)CCN1CC(C)(C)O 283486966 QHCDLNFOEAGCKF-GFCCVEGCSA-N 292.383 0.323 0 50 CCAA CN(CCNC[C@]1(O)CCCNC1)c1ccccc1 72424374 QTSGHCGXRPTMEC-HNNXBMFYSA-N 263.385 0.827 0 50 CCAA O=C1CN(C(=O)[C@H]2CCn3ccnc3C2)CN1CC1CC1 336427827 WPIOSGABSMJZES-LBPRGKRZSA-N 288.351 0.484 0 50 CCAA O=C(O)CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 262649061 KUIYRUCZWSZZPW-VHSXEESVSA-N 271.338 0.957 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)C=C(C2CC2)C2CC2)C1 284682108 VVANSZGBVJLVHR-AAEUAGOBSA-N 278.352 0.834 0 50 CCAA Cc1n[nH]c(SCC(=O)NCCCc2ncc[nH]2)n1 223614137 DPPFISVLSSAQIQ-UHFFFAOYSA-N 280.357 0.677 0 50 CCAA CC(=O)N1CC(C(=O)N2CC[C@H](n3cc(C)cn3)C2)C1 290973688 ORTFFVDDRCOMNJ-ZDUSSCGKSA-N 276.340 0.443 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)[C@H](O)C1CCCCC1 426478702 IHPMFWGPILTJIW-CYBMUJFWSA-N 286.372 0.402 0 50 CCAA Cc1nc(O)c2c(n1)CN(C(=O)c1c(C)ncn1C)C2 426381459 NWYBRSFCIBNWJG-UHFFFAOYSA-N 273.296 0.689 0 50 CCAA CC(C)N1CCC[C@H](C(=O)NCCn2ccnn2)C1 426504640 SGTIRWNXLYRSJD-LBPRGKRZSA-N 265.361 0.515 0 50 CCAA Cc1ccc(N2CC[C@@H](C(=O)N[C@H](C)C(=O)O)C2=O)cc1 237376399 BKFNADCPCYKDDB-PWSUYJOCSA-N 290.319 0.937 0 50 CCAA C[C@H](NCC(=O)N=c1[nH]c2ccccc2[nH]1)c1nc[nH]n1 97402596 KPPHADPFWGQOBW-QMMMGPOBSA-N 285.311 0.392 0 50 CCAA Cc1[nH]cnc1C(=O)N1CCN(C)C2(CCNCC2)C1 97638003 ADIGBNGEJURZJX-UHFFFAOYSA-N 277.372 0.228 0 50 CCAA O=S(=O)(N1CCCCCC1)N1CCc2[nH]cnc2C1 95359324 HDZATMVWYJRSEH-UHFFFAOYSA-N 284.385 0.889 0 50 CCAA COCc1nc(NC(=O)COc2coc(C)cc2=O)n[nH]1 524735093 VAKWBJICNCXSKQ-UHFFFAOYSA-N 294.267 0.230 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)c2nnc3ccccc3c2O)C1 299744077 QRQQYSBFEWPQCT-MRVPVSSYSA-N 287.275 0.882 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C)C2)[C@H]1CN 299739062 JZDYPJYCONTCGN-TUAOUCFPSA-N 291.417 0.011 0 50 CCAA CCCn1ncnc1[C@H](C)NS(=O)(=O)C1CC1 534649957 AQLYNBMVYFUULU-QMMMGPOBSA-N 258.347 0.831 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CCC[C@H](N)C1 534582615 SAGREDDQRZXHBJ-JTQLQIEISA-N 272.374 0.323 0 50 CCAA Cc1[nH]ccc1C(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1 534635569 LTQUKFYWCYGNFY-KBPBESRZSA-N 292.383 0.068 0 50 CCAA CN(CCN1CCOCC1)C(=O)CSc1ccncc1 263898720 XDONKJITCKTXQU-UHFFFAOYSA-N 295.408 0.964 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc(O)n1 271930222 IICADAWNXDPZEC-LLVKDONJSA-N 277.324 0.835 0 50 CCAA COCCCCN1CCN(C(=O)c2csc(N)n2)CC1 584893497 TVXXFSLKHDOJTC-UHFFFAOYSA-N 298.412 0.910 0 50 CCAA CC[C@H](OC)C(=O)N1CCN(CCSC)CC1 584893065 GLXOJLONZLNUOK-NSHDSACASA-N 260.403 0.919 0 50 CCAA O=C(CO)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685943154 SELTVHLFXVQHLD-HZMBPMFUSA-N 277.324 0.819 0 50 CCAA CN(C)[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@@H]1n1ccnn1 685940135 WAZALBMQVYBDMV-NEPJUHHUSA-N 292.318 0.373 0 50 CCAA O=C(NCC1CCN(C[C@@H](O)CO)CC1)C1CCCC1 952975301 PDPAHKMXAQLHIU-CQSZACIVSA-N 284.400 0.358 0 50 CCAA CCn1ccc(CNCCN2CCCC[C@@H]2CO)n1 952991229 VBJKMGIMLWLIPT-CQSZACIVSA-N 266.389 0.839 0 50 CCAA C[C@@](Cn1cccn1)(NC(=O)C1CCCC1)C(N)=O 889645954 AYUZBGWDQKFOIX-ZDUSSCGKSA-N 264.329 0.434 0 50 CCAA C=CC(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccnn2C)C1 1776004554 MACWRMXBFJLVHV-GHMZBOCLSA-N 262.313 0.037 0 50 CCAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)c1ccc[nH]1 1565515402 PRSPNUSQLCDUQR-WPRPVWTQSA-N 268.269 0.003 0 50 CCAA CCn1nccc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N(C)C 1565529535 GMJVJOZPDUXSRG-RYDUCSDGSA-N 278.356 0.350 0 50 CCAA CCOC[C@@H]1CCN(C(=O)[C@@H]2NC(=O)O[C@@H]2C)C1 408514380 OTAYEHJWUIXAQA-OPRDCNLKSA-N 256.302 0.368 0 50 CCAA CN(CCN(C)C1CC1)C(=O)Cn1nnc2c1CCCC2 408517231 CWTGYYUVPNVARO-UHFFFAOYSA-N 291.399 0.710 0 50 CCAA CC(C)(O)C1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 275711033 WAPRGDXMKJPRLW-UHFFFAOYSA-N 289.335 0.559 0 50 CCAA C[C@H]1C[C@H](O)CCN1S(=O)(=O)N1CCCCC1 170091086 PJFILYWDTOQBOG-WDEREUQCSA-N 262.375 0.562 0 50 CCAA Cc1conc1C(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C 633022767 KUJLZWTZQYAERS-NEPJUHHUSA-N 279.340 0.918 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)N=c2cc3ccccn3[nH]2)C1 517768547 WWNOZUJXHKMVIR-NWDGAFQWSA-N 290.323 0.370 0 50 CCAA C[C@@H](c1ccccc1)[C@@H](O)CN[C@@H]1COC[C@@H]1O 634725639 ZIADWORZSUQZOE-GHYVTOPFSA-N 251.326 0.500 0 50 CCAA O=C(C(C1CC1)C1CC1)N1CC[C@](O)(c2cnn[nH]2)C1 583619134 SBJPIUNBHCYGPS-CQSZACIVSA-N 276.340 0.661 0 50 CCAA CO[C@H](C(=O)N1CCCC[C@H]1C(=O)O)[C@@H]1CCOC1 656472748 ANQQITKAZNBERS-VWYCJHECSA-N 271.313 0.504 0 50 CCAA CCc1nsc(N2Cc3c(N)nn(C)c3C2)n1 663995926 REPYPTSGTZQSBU-UHFFFAOYSA-N 250.331 0.936 0 50 CCAA CCCc1noc(CN(C)C(=O)[C@@H](C)Cn2cncn2)n1 1506423086 CCULXTRLKLTEOB-JTQLQIEISA-N 292.343 0.908 0 50 CCAA C[C@@](O)(CCCO)CNc1cc(C(N)=O)ccn1 1506408172 CDVUXSZBKFTYNY-GFCCVEGCSA-N 253.302 0.116 0 50 CCAA Cc1ncc(C(=O)NC2(C(=O)O)CCOCC2)cn1 1506420185 XLDQOZRWWMDYTQ-UHFFFAOYSA-N 265.269 0.149 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H]2CNS(=O)(=O)[C@H]2C1 110915484 REYRCSJRCYPTTR-SFYZADRCSA-N 262.331 0.155 0 50 CCAA Cn1cc([C@@H]2NCCO[C@H]2CN2CCCCC2)cn1 1800413470 IFVGSGPBLSSXSS-KBPBESRZSA-N 264.373 0.936 0 50 CCAA O=C(c1ccnc(-c2ccccc2)n1)N1CC(O)(CO)C1 1615591053 SXWRUOVBCHKLRA-UHFFFAOYSA-N 285.303 0.323 0 50 CCAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1C(C)C 2223759 IRACCIZVXUKPDN-WDEREUQCSA-N 297.355 0.008 0 50 CCAA O=C(c1cncc(=O)[nH]1)N1CCC(C2(O)CC2)CC1 1772818317 PNWWFSQMOCXZTQ-UHFFFAOYSA-N 263.297 0.147 0 50 CCAA CC(C)N(CCN[C@@H]1CCS(=O)(=O)C1)C(C)C 19803685 SNPWZMCAOWAXOA-GFCCVEGCSA-N 262.419 0.882 0 50 CCAA CC(=O)N1C[C@@H]2C[C@@]2(C(=O)N=c2cc3n([nH]2)CCC3)C1 1857527448 LCNUJNXJIDEPRY-IINYFYTJSA-N 274.324 0.058 0 50 CCAA CN(C)C(=O)[C@H]1C[C@@H]2OCC[C@H]2N1C(=O)c1cccn1C 1857532090 BQEXFCFQKUWQDD-RTXFEEFZSA-N 291.351 0.485 0 50 CCAA CC(=O)N1CCC[C@H](C(=O)N(C)CCn2cccn2)C1 110429875 TXIOKPLHCFBDAJ-ZDUSSCGKSA-N 278.356 0.600 0 50 CCAA CCc1ncncc1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 531220854 WEFZEXTYJZJXFO-SECBINFHSA-N 274.324 0.532 0 50 CCAA C[C@@H]1COCCN1C(=O)c1ccc(CS(N)(=O)=O)cc1 331271294 GHDQZMMTLPJERJ-SNVBAGLBSA-N 298.364 0.336 0 50 CCAA COC(=O)CNC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 140436731 SKGQFJMRWNOELT-UHFFFAOYSA-N 289.291 0.988 0 50 CCAA CC[C@@H]1CN(C)CCN1C(=O)Cc1cnn(C)c1 585085996 SEELMMVRXFUCQY-GFCCVEGCSA-N 250.346 0.515 0 50 CCAA O=C(Nc1cnn[nH]1)C1CCN(C(=O)c2ccoc2)CC1 816317738 ZFVACHBMYHANRT-UHFFFAOYSA-N 289.295 0.889 0 50 CCAA Cc1cocc1C(=O)NC1CN([C@H]2CCCN(C)C2=O)C1 1030799072 WWEKKCUKQUHJJA-ZDUSSCGKSA-N 291.351 0.623 0 50 CCAA CC(=O)N1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1 111471333 VOVRATVDPGILOP-UHFFFAOYSA-N 282.340 0.568 0 50 CCAA CCCCNC(=O)CN1C(=O)c2cccc(N)c2C1=O 2622326 UMUWYMLVWRLKIU-UHFFFAOYSA-N 275.308 0.781 0 50 CCAA CNc1ccccc1C(=O)NC[C@]1(O)CCO[C@H]1C 227184178 INIHRLIKWDMGAV-IINYFYTJSA-N 264.325 0.998 0 50 CCAA CO[C@@H]1CN(c2cncc(SC)n2)C[C@@H](CO)O1 2325799412 VSAUVFFXXGXJDB-KWQFWETISA-N 271.342 0.369 0 50 CCAA Cc1c[nH]nc1CN1CCN(c2cnn(C)c2)CC1 290409396 LEEDRAMLMPPLOI-UHFFFAOYSA-N 260.345 0.774 0 50 CCAA Cc1cccc(CC(=O)N2CCN(C)[C@@H](C(=O)O)C2)c1 67724160 YJDOINOOGDMAOR-CYBMUJFWSA-N 276.336 0.765 0 50 CCAA COC(=O)c1cnc(N2C[C@H](C)N(C)C[C@@H]2C)nc1 408106713 ZGKQQDOPRUCFKT-UWVGGRQHSA-N 264.329 0.792 0 50 CCAA COC(C)(C)C[C@@H](C)NCc1noc(C(N)=O)n1 534665978 UOVDMGUBNDFBNW-SSDOTTSWSA-N 256.306 0.462 0 50 CCAA CN(CCN1CCOCC1)CC1(CO)CCCC1 828686765 SOEODHSUULJPRJ-UHFFFAOYSA-N 256.390 0.803 0 50 CCAA CC1(C)CC(=O)O[C@@H]1CNC(=O)N[C@H]1Cc2nccn2C1 2325799564 IDIJKSNVSWMYEI-VHSXEESVSA-N 292.339 0.449 0 50 CCAA COC(=O)/C=C/CNC(=O)C(F)(F)C1(O)CCC1 2325812168 LUYZWUOJXOJZIJ-DUXPYHPUSA-N 263.240 0.382 0 50 CCAA CC(C)c1c[nH]nc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 2325825874 GDJPXPTXWXRVSP-VIFPVBQESA-N 291.315 0.260 0 50 CCAA CN1C(=O)C[C@H](N2CCN(c3ccc(F)cc3)CC2)C1=O 181381 IJNXQOMREGZEBR-ZDUSSCGKSA-N 291.326 0.705 0 50 CCAA CN(C)CCNC(=O)N[C@H]1CCN(c2ncccc2F)C1 133857863 IJEXQUGXNBITNN-NSHDSACASA-N 295.362 0.660 0 50 CCAA CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCCCC1 21883895 WYQQCCPWBMLUJN-UHFFFAOYSA-N 287.341 0.761 0 50 CCAA Cc1cc(N2CC[C@H](N[C@@H](C)[C@H]3CCCO3)C2=O)n(C)n1 248485361 KPXORUPPROKSSE-RWMBFGLXSA-N 292.383 0.991 0 50 CCAA CN(C)S(=O)(=O)CCCN1CCCC[C@H]1C(=O)O 347299354 BXFNDWLUSUEHKK-JTQLQIEISA-N 278.374 0.207 0 50 CCAA CCCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC 27999255 VSYRTMNKOKEIDH-UWVGGRQHSA-N 288.344 0.417 0 50 CCAA Cc1cnn(CCNC(=O)[C@H]2CCCN[C@H]2C)c1 235298193 GZFRDQOVQMHNKD-RYUDHWBXSA-N 250.346 0.696 0 50 CCAA NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 2119 HMHVCUVYZFYAJI-UHFFFAOYSA-N 290.366 0.264 0 50 CCAA biogenic,in-man CN(CC1CC1)C[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1 328643487 RHTJRENCOBQUBI-KBPBESRZSA-N 282.384 0.592 0 50 CCAA Cn1cnc2c(C(=O)N3CCOCC34CC4)ccnc21 329582015 VHFNJBIEMMTOES-UHFFFAOYSA-N 272.308 0.973 0 50 CCAA N=C(O)[C@@H](c1ccccc1)N1CCN2C(=O)NC(=O)[C@@H]2C1 332576892 GRPHMTWUSQMAKG-WDEREUQCSA-N 288.307 0.499 0 50 CCAA CCOC(=O)[C@@H](C)N1CCN(CC(F)(F)F)C(=O)C1 242273528 YDMHDAQFYJUGRL-MRVPVSSYSA-N 282.262 0.645 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 35982161 LOQGRIZFMIRFTQ-UHFFFAOYSA-N 254.355 0.931 0 50 CCAA COCC(=O)N1CCN(C(=O)COC)[C@@H]2CCCC[C@H]21 332735374 UTPBXEWNYFVYJM-VXGBXAGGSA-N 284.356 0.261 0 50 CCAA O[C@@H]1CCN(c2ccnc(N3CCn4cncc4C3)n2)C1 72148207 DPSVXNZRVQUGAE-GFCCVEGCSA-N 286.339 0.264 0 50 CCAA CCCc1cc(C(=O)NC[C@@H]2COCCO2)no1 448747343 AESOCLKLQVCFNP-SNVBAGLBSA-N 254.286 0.772 0 50 CCAA CC[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](C(=O)N(C)C)C1 334118715 JJPMGKVMFQXIBT-UTUOFQBUSA-N 283.372 0.674 0 50 CCAA CCCN(C(=O)c1cccnc1)[C@H]1CC(=O)N(C)C1=O 283419657 FUOQRPKVOMLPDY-NSHDSACASA-N 275.308 0.691 0 50 CCAA CCN1Cc2nc(OC)c(CNC(=O)[C@H](C)O)cc2C1=O 71774978 YDJQVHSQOIKKCL-QMMMGPOBSA-N 293.323 0.063 0 50 CCAA O=C(Cc1cn2ccsc2n1)N1CC[C@H](CO)[C@@H](O)C1 72168457 BLZWSEPMSXITHJ-KOLCDFICSA-N 295.364 0.140 0 50 CCAA CCc1nnc(N2C[C@H](F)C[C@H]2C(N)=O)nc1CC 284529337 JTTHKCUKQOUZFI-XCBNKYQSSA-N 267.308 0.399 0 50 CCAA C[C@H](CCC(=O)NCc1nnc(N)s1)N1CCCC1 426545442 ZHFGJQIUWMAUIO-SECBINFHSA-N 283.401 1.001 0 50 CCAA CCN1CCN(S(=O)(=O)CC2CCCC2)CC1=O 329860793 XOYGLMHQLVHVLP-UHFFFAOYSA-N 274.386 0.671 0 50 CCAA O=C1C[C@@]2(CCN(c3nc(-c4ccccc4)no3)C2)C(=O)N1 82115179 LUNHNTKGPOKSLV-OAHLLOKOSA-N 298.302 0.980 0 50 CCAA O=C(O)c1nnn2cc(-c3ccc(F)cc3)[nH]c(=O)c12 232319317 FPWXGQYUFUYXTM-UHFFFAOYSA-N 274.211 0.922 0 50 CCAA CCN1C[C@@H](C(=O)NCc2cc(C)nn2C)CC1=O 95390933 MYMZJSNFJXSZSU-JTQLQIEISA-N 264.329 0.213 0 50 CCAA NC(=O)[C@@H]1CCCN1C(=O)NCCCOc1cccnc1 426667632 TVYCVWSXSYEXLX-LBPRGKRZSA-N 292.339 0.510 0 50 CCAA COCC1(O)CN(C(=O)c2cn(C)nc2C2CC2)C1 333385888 CCKNXJUUQIDWNQ-UHFFFAOYSA-N 265.313 0.131 0 50 CCAA COC(=O)c1cn(Cc2cn[nH]c2C)cc2c(=O)[nH]nc1-2 253399371 CWTCJHKLEILOLO-UHFFFAOYSA-N 287.279 0.543 0 50 CCAA CN1C[C@@H]2[C@@H](CCCN2C(=O)CC(C)(C)O)C1=O 299741793 GDUXDFQEPSKNKZ-NXEZZACHSA-N 254.330 0.227 0 50 CCAA COCCN1C(=O)N[C@@H]2CN(c3ncc(F)cn3)CC[C@@H]21 299744504 SQDKSTOVFWDJLB-MNOVXSKESA-N 295.318 0.235 0 50 CCAA C[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@H]2CCCO2)CC1 252457404 FSWCOHLQYRSRKR-UPJWGTAASA-N 252.358 0.966 0 50 CCAA O=C(c1cnc2c(c1)CCCC2)N1C[C@@H]2NCCO[C@H]2C1 534637699 UOIHAQCLVGELGF-GJZGRUSLSA-N 287.363 0.773 0 50 CCAA COCC1(C(=O)NCCc2nccn2C)CCC1 534579664 CDAHHYCQXLYKSV-UHFFFAOYSA-N 251.330 0.896 0 50 CCAA COCCN(C)CC(=O)NC[C@@H]1CCN(C2CCCC2)C1 534676039 UZXHKCDDAVLVAS-AWEZNQCLSA-N 297.443 0.945 0 50 CCAA Cc1nc(-c2ccc(CNC(=O)[C@@H](N)[C@@H](C)O)cc2)no1 299768506 OZTQCCOEYFMKDO-PELKAZGASA-N 290.323 0.369 0 50 CCAA Cc1cc(=O)c(C(=O)NCC2CCNCC2)cn1C 828196580 VLULXQZOTRWIOI-UHFFFAOYSA-N 263.341 0.423 0 50 CCAA COCCN1CCN(C(=O)[C@H](C)Cn2cccn2)CC1 824413166 PKYSIWBTEAKNMX-CYBMUJFWSA-N 280.372 0.310 0 50 CCAA Cc1c(S(=O)(=O)NCc2cncn2C2CC2)cnn1C 825656245 MDKJCILTELAFII-UHFFFAOYSA-N 295.368 0.738 0 50 CCAA CC1CCN(CC(=O)N2CCOC[C@H](CN(C)C)C2)CC1 670464074 MVUWETRYQSIZDD-OAHLLOKOSA-N 297.443 0.755 0 50 CCAA O=c1c2cccnc2ncn1[C@H]1COC2(CCNCC2)C1 670455823 PMMAQPRIWDOFEX-LLVKDONJSA-N 286.335 0.875 0 50 CCAA CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)C(F)=C(C)C)C1 685940458 AWZPOVOWRDPPNP-IUCAKERBSA-N 286.303 0.688 0 50 CCAA Cc1nc(C(=O)N[C@H]2CCN(C)CC2(C)C)no1 1875298945 SZNPRVBWIDUXFF-VIFPVBQESA-N 252.318 0.838 0 50 CCAA CCOc1ccnc(N2CC[C@@H](S(=O)(=O)NC)C2)n1 1875275814 UICMUVQEHIPZCR-SECBINFHSA-N 286.357 0.003 0 50 CCAA O=C(CSc1n[nH]c(O)n1)N[C@@H]1CCCc2nc[nH]c21 1875268442 RRUHWZLHNSCDFA-SSDOTTSWSA-N 294.340 0.519 0 50 CCAA CS(=O)(=O)NC(=O)Cc1cc(-c2ccccc2)on1 1875390859 VPSVKHMANTYGBO-UHFFFAOYSA-N 280.305 0.960 0 50 CCAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[C@@H]2CCCO2)CS1 1875300504 GBUSGHPJZKYNDJ-GEVSDDDWSA-N 285.365 0.876 0 50 CCAA O=C(NC[C@H]1CNCCO1)c1[nH]nc2ccccc12 134252208 PCZLJGHHPPCFMC-SECBINFHSA-N 260.297 0.281 0 50 CCAA CC1(C)CN(C(=O)CS(=O)(=O)c2cccnc2)CCO1 1434454746 GTCMXZDBGQKZKS-UHFFFAOYSA-N 298.364 0.493 0 50 CCAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CCC(n3cnnc3)CC2)C1 1565528729 WVDXABQDKNVLPV-MNOVXSKESA-N 292.339 0.943 0 50 CCAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)C1(C(N)=O)CC1 1565512579 GZKXOPDCIHDAJD-RYUDHWBXSA-N 296.367 0.508 0 50 CCAA CC(C)(CO)NC(=O)CN1Cc2ccccc2C1=O 272377895 RSKPGRPILWDYJR-UHFFFAOYSA-N 262.309 0.530 0 50 CCAA Cn1ccc(CCNC(=O)N2CCC3(CCO3)CC2)n1 548760238 OLJPUXQDDTZWPP-UHFFFAOYSA-N 278.356 0.927 0 50 CCAA CCOC(=O)CN(C)C1CN(C(=O)c2cccn2C)C1 585130122 IPMTYIYNUIWXNZ-UHFFFAOYSA-N 279.340 0.344 0 50 CCAA CCc1cc(O)nc(CN2CCS(=O)(=O)C[C@@H](C)C2)n1 192117463 ZDBALPUMVYVZQQ-JTQLQIEISA-N 299.396 0.611 0 50 CCAA O=S1(=O)CCc2nnc(CC3CCCC3)n2CC1 630951962 SBWANUKZNQRDMA-UHFFFAOYSA-N 269.370 0.982 0 50 CCAA N[C@@H]1CS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]12 688558800 AJIDGOHWFMMKPN-YNEHKIRRSA-N 266.366 0.243 0 50 CCAA CCn1cnnc1C1CCN(C(=O)[C@@H]2CNC(=O)O2)CC1 1615557052 VGTYMAFLUWABFA-JTQLQIEISA-N 293.327 0.112 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCN[C@H](C(=O)O)C2)c(C)c1 1616034849 OIKJYKPSZJLFNE-NSHDSACASA-N 298.364 0.351 0 50 CCAA O=C(CN1C[C@H]2[C@@H](C1)C2(CO)CO)Nc1ccccc1 1772711354 SUOUWPVLOHAQOT-BETUJISGSA-N 276.336 0.158 0 50 CCAA Cc1nccc(CN2C[C@H]3CCN(C)C(=O)[C@H]3C2)n1 1772805301 JNSSMPPFANFBJH-YPMHNXCESA-N 260.341 0.695 0 50 CCAA COCCN1C[C@H](C(=O)NC2CCC2)CCC1=O 12703634 PKLLLRPUJVSUDO-SNVBAGLBSA-N 254.330 0.540 0 50 CCAA CC[C@H](C(N)=O)N(c1ccc(F)cc1)S(C)(=O)=O 13715053 PICVHRLKALSMFW-SNVBAGLBSA-N 274.317 0.856 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1CCS(=O)(=O)CC1=O 168664066 RJQRXKCRDWVGBQ-SSDOTTSWSA-N 263.315 0.267 0 50 CCAA CCc1nn(C)c2c(=O)n([C@H](C)c3ncn[nH]3)cnc12 200540172 MCHHSXHZOBGAIU-SSDOTTSWSA-N 273.300 0.420 0 50 CCAA C[C@H](Cc1cnn(C)c1)NC(=O)c1cc2n(n1)CCC2 622653328 LIHXEKHOKCBSFM-SNVBAGLBSA-N 273.340 0.924 0 50 CCAA CC(C)c1nnc2c(=N[C@H]3CCC(=O)N[C@@H]3C)[nH]ccn12 440557634 UZEQZJKPCGMWNV-ZJUUUORDSA-N 288.355 0.749 0 50 CCAA N[C@@H]1CCC[C@H](C(=O)N2CCN(Cc3ccon3)CC2)C1 237892554 IREKOJIGGKCXKH-QWHCGFSZSA-N 292.383 0.836 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)[C@@H]1COc2ccccc21 129421442 OOMQLELAXSGPGJ-CMPLNLGQSA-N 291.303 0.865 0 50 CCAA Cc1nc2ccc(N3CC[C@H]4CCN(C)C[C@H]43)nn2n1 253417025 ALHQEHRXOPWDEF-VXGBXAGGSA-N 272.356 0.963 0 50 CCAA C[C@@H](N)CC(=O)N1CCC(Cc2nccn2C)CC1 261848508 MJIBHSGHRTUXQB-LLVKDONJSA-N 264.373 0.939 0 50 CCAA O=C(c1ncncc1Cl)N1CCOC[C@H]1c1nc[nH]n1 375324932 WVDLIJSJWDOEDB-QMMMGPOBSA-N 294.702 0.462 0 50 CCAA CCn1cc(C(=O)N(C2CC2)[C@H](C)C(=O)O)cn1 262678254 ZCBJXJPQGUNUSF-MRVPVSSYSA-N 251.286 0.981 0 50 CCAA CCC(CC)(CNC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)O 164982535 VPPTUSDWTCIKQE-SNVBAGLBSA-N 299.371 0.784 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)CCc1cn[nH]c1)C2 1704355156 MEIPRWRNOLPKBC-STQMWFEESA-N 278.356 0.131 0 50 CCAA C[C@@H](NC(=O)C(=O)c1cnn(C)c1)[C@H](O)c1ccccc1 811540667 ZCXAGORVNAIJFR-MFKMUULPSA-N 287.319 0.841 0 50 CCAA CN1CCC(OCC(=O)Nc2nc3ccccn3n2)CC1 936035541 DMICMPZSBTWYKW-UHFFFAOYSA-N 289.339 0.779 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(COC[C@@H](C(=O)O)O2)C1 1857783384 JJLFIJNUCLZNAK-TVQRCGJNSA-N 287.312 0.866 0 50 CCAA Cc1nn[nH]c1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 1287297144 ZTFBPEJCUZQPNJ-IUCAKERBSA-N 291.311 0.227 0 50 CCAA CO[C@@H](CN)C(=O)NCCc1c[nH]c2ccccc12 227375882 GVSZFAKYGGCDJP-ZDUSSCGKSA-N 261.325 0.800 0 50 CCAA CCOc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1C 6730398 HAOKPUSDIWSTLY-VIFPVBQESA-N 286.353 0.546 0 50 CCAA C[C@H](N)[C@@H]1CCCCN1C(=O)CCn1ccccc1=O 237421811 HIPRBJOGTIMRLM-STQMWFEESA-N 277.368 0.967 0 50 CCAA CCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 620735 MRJYEIYPZFWJLC-UHFFFAOYSA-N 270.354 0.793 0 50 CCAA biogenic O=C(Cc1ccccc1)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 101514675 DUYXNZLWIWFXRP-HBJVGIJOSA-N 298.298 0.199 0 50 CCAA NC[C@H](NS(=O)(=O)CCc1cccs1)C1CC1 225426343 YHGMEONUQRNLKB-NSHDSACASA-N 274.411 0.947 0 50 CCAA Nc1nc(CCCN2C[C@@H](C(=O)O)CC2=O)cs1 65495602 ZOPYEBXZIBVDSV-ZETCQYMHSA-N 269.326 0.591 0 50 CCAA Cc1ncccc1C(=O)N1CCCN(S(C)(=O)=O)CC1 170977283 GNZPYSRFAJJLBG-UHFFFAOYSA-N 297.380 0.498 0 50 CCAA NC(=O)c1nn(Cc2ccon2)c(=O)c2ccccc12 30952787 WTJYRBFNYWYQHZ-UHFFFAOYSA-N 270.248 0.532 0 50 CCAA COCCn1nnc2c1CCN(C[C@H]1CCCOC1)C2 328769439 INANYMIHWBQMQD-GFCCVEGCSA-N 280.372 0.709 0 50 CCAA O=C(Cn1ncc2c1C[C@@H](O)CC2)NCc1ccco1 331560699 SGGZADCZORPZGH-NSHDSACASA-N 275.308 0.642 0 50 CCAA C[C@@H](c1ccccc1)N1CCO[C@H](CN(C)CC(N)=O)C1 281996713 IMTGCYVTSQUUFW-DZGCQCFKSA-N 291.395 0.866 0 50 CCAA CCC1(O)CN(C(=O)N=c2[nH]nc(C(F)F)s2)C1 331777182 MXOOPZUQNRQCIQ-UHFFFAOYSA-N 278.284 0.886 0 50 CCAA CCN(CC(=O)O)C1CC(NC(=O)c2ccccn2)C1 262744338 XAPAAJQTVTWIBE-UHFFFAOYSA-N 277.324 0.749 0 50 CCAA CC1(C)CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CCCO1 377257402 OKYAUDOUAFJGCM-GFCCVEGCSA-N 297.399 0.211 0 50 CCAA CCN1CCC[C@@H](NC(=O)N[C@H](CO)c2cnn(C)c2)C1 333984677 HFMULPJYLWFQQA-CHWSQXEVSA-N 295.387 0.237 0 50 CCAA O=C(COCc1ccccc1)N[C@H]1C=CS(=O)(=O)C1 71759466 BWXWPQGTFAPUID-LBPRGKRZSA-N 281.333 0.630 0 50 CCAA CCOC(=O)CC1=NN(c2nccc(OC)n2)C(=O)C1 603920723 FVSNWWQKQHSEOV-UHFFFAOYSA-N 278.268 0.531 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@H](C(=O)O)C1 262486160 VNAKGRMBEHIKJI-SDDRHHMPSA-N 285.340 0.894 0 50 CCAA O=C(O)CNC(=O)c1cccc(N2CCCNC2=O)c1 262699668 JNPUMYOHXHMMCT-UHFFFAOYSA-N 277.280 0.421 0 50 CCAA O=C(C[C@@H]1COCCN1)NCCN1CCc2ccccc21 72157015 BHNGJHSKBISIOI-CQSZACIVSA-N 289.379 0.544 0 50 CCAA O=C(N[C@@H]1CCNC[C@H]1O)c1ccc(SCCO)cc1 77338547 CYBUVIZBLBAQEV-CHWSQXEVSA-N 296.392 0.224 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1O)c1nc2ccccc2[nH]1 222889643 QEGCZZJDENGZFG-GHMZBOCLSA-N 261.281 0.443 0 50 CCAA CCO[C@H]1CN(CCn2cc(Cl)cn2)C[C@@H]1O 223120558 GTUHWIVHEFQJOS-QWRGUYRKSA-N 259.737 0.618 0 50 CCAA C[C@H](O)C(=O)N1CCN(Cc2cc(CO)ccc2F)CC1 528429963 IRIULZZOAKNEOT-NSHDSACASA-N 296.342 0.343 0 50 CCAA Cc1cc(CNC(=O)N2CCN3C(=O)OC[C@@H]3C2)on1 426519053 ZZLOJXPNAPKPPD-VIFPVBQESA-N 280.284 0.329 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)N1CCNC(=O)CC1 426728131 BREUNHOGVSRBQW-QMMMGPOBSA-N 279.344 0.619 0 50 CCAA CN[C@@H](C)C(=O)N1CC(Oc2ccccc2OC)C1 91780338 MJHOFTQJUZGOPN-JTQLQIEISA-N 264.325 0.893 0 50 CCAA O=C(O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 149839949 MRFONOUDCDVXKN-LURJTMIESA-N 261.324 0.672 0 50 CCAA Cc1ccc(C(N)=O)c(N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)n1 534575332 VMQDJOBFCOASRW-MYJAWHEDSA-N 261.281 0.256 0 50 CCAA O=C(CN1CCOCC1)N1C[C@@H](CO)c2ccccc21 293886690 KFLVKXOHVGAYKW-LBPRGKRZSA-N 276.336 0.441 0 50 CCAA O=C1NCCN1CC(=O)N1CCC[C@@H]1c1nccs1 95510653 HIABBTGDAYTYKX-SECBINFHSA-N 280.353 0.832 0 50 CCAA CCCN1CCC(CC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)CC1 91725646 PCRKFTJHZJKJCQ-SNVBAGLBSA-N 295.387 0.787 0 50 CCAA O=c1[nH]ccn1CCN1CCC[C@H](c2cc[nH]n2)C1 244794581 QPKGKAFUBGXLPC-NSHDSACASA-N 261.329 0.779 0 50 CCAA CN(CC(N)=O)Cc1cc(C(N)=O)oc1C(C)(C)C 244626703 FQVGMHUVPUXQEB-UHFFFAOYSA-N 267.329 0.593 0 50 CCAA COc1ccc(CN2CCC([C@H](O)C(N)=O)CC2)cn1 299746676 ZAIHYQWSRVFCPB-ZDUSSCGKSA-N 279.340 0.148 0 50 CCAA Cc1nccn1CCCC(=O)N1CC[C@@H](C(=O)O)C1 299744915 VMVBTFNFPJNHBY-LLVKDONJSA-N 265.313 0.905 0 50 CCAA O=C(O)CCCC(=O)N[C@H]1COC[C@@H]1N1CCCC1 534592688 MVPWNFKKJDHPII-QWRGUYRKSA-N 270.329 0.221 0 50 CCAA O=C(NCc1nc(O)n[nH]1)c1ccccc1-n1cccn1 358348444 BUGARXFTKRDHDZ-UHFFFAOYSA-N 284.279 0.626 0 50 CCAA CCCn1nccc1S(=O)(=O)N1CCNC[C@H]1C 534635596 FQMZCEMHRVAMHF-SNVBAGLBSA-N 272.374 0.276 0 50 CCAA Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)c(=O)n1C 534632897 DPRDBVSMYLFLJU-NSHDSACASA-N 278.308 0.773 0 50 CCAA CN(C)C(=O)c1ccc(Sc2nnc(CN)n2C)nc1 534585880 VVRHMYMKKUKHHG-UHFFFAOYSA-N 292.368 0.522 0 50 CCAA COC[C@H](O)CNC(=O)CSc1cccc(OC)c1 268628021 LPEMOEGXRCDFLY-SNVBAGLBSA-N 285.365 0.911 0 50 CCAA C[C@H](NC(=O)CCCc1cn[nH]c1)c1nncn1C 584900180 QJOAWSFQNUDTGT-VIFPVBQESA-N 262.317 0.738 0 50 CCAA Cc1nonc1CNC(=O)C[C@@H]1CN(C(C)C)CCO1 584888036 UYCRGAZBBAFRLA-LLVKDONJSA-N 282.344 0.494 0 50 CCAA O=C1C[C@@H](CNC(=O)[C@H]2CC[C@@H](O)CC2)CN1C1CC1 584885662 VCFDMTXBSVVBJP-GMXVVIOVSA-N 280.368 0.665 0 50 CCAA Cc1c(CN[C@@H](C)CNS(=O)(=O)C2CC2)cnn1C 584884377 GOWRZQYCNNNIIO-VIFPVBQESA-N 286.401 0.288 0 50 CCAA CCc1nnc(CN(C)C(=O)[C@@H](C)NC(=O)OC)o1 584885014 NSCDUJFOWGLWAJ-SSDOTTSWSA-N 270.289 0.335 0 50 CCAA CN1C[C@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)CC1=O 584893358 HZRSXXBYFLMDLX-LURJTMIESA-N 290.245 0.637 0 50 CCAA CC[C@@H](C)NC(=O)C1CCN(CCn2cnnc2)CC1 670454142 XTYYYSXJRQYMMT-GFCCVEGCSA-N 279.388 0.905 0 50 CCAA CCOc1ccnc(N2CC[C@@H](C(=O)NC)C2)n1 670450505 KRAFEVOKWRVCGQ-SECBINFHSA-N 250.302 0.448 0 50 CCAA CS(=O)(=O)Nc1ccc([C@H]2NCCC[C@H]2N)cc1 757209165 FYRAFTAWQKHEOS-VXGBXAGGSA-N 269.370 0.810 0 50 CCAA Cc1ccn2c(C3CCN(c4nnnn4C)CC3)nnc2c1 1875264361 PQXHACFOHJXLOY-UHFFFAOYSA-N 298.354 0.945 0 50 CCAA FC(F)(F)[C@]1(c2nnn(CC3COC3)n2)CCCN1 1875304356 IDVHIOFAXQHTIZ-SECBINFHSA-N 277.250 0.461 0 50 CCAA N[C@@H]1C[C@H](C(=O)Nc2cnn(C3CCNCC3)c2)[C@H]2C[C@H]21 1775961411 YTDRCHFXHCVITD-RFQIPJPRSA-N 289.383 0.729 0 50 CCAA Cc1cnc(N[C@H]2CC(=O)N(C3CCN(C)CC3)C2)nc1 1776005930 QJLGQKUHHMCLSH-LBPRGKRZSA-N 289.383 0.892 0 50 CCAA Cc1ncncc1C(=O)NS(=O)(=O)C[C@H]1CCCO1 408434689 ZPFOXEYOHMIVCI-SECBINFHSA-N 285.325 0.024 0 50 CCAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2nc[nH]n2)cn1 275357946 NNFPUWIDUQWRBI-VHSXEESVSA-N 276.300 0.281 0 50 CCAA Cn1c(S)nnc1CCNC(=O)[C@H]1C[C@H]1C1CC1 170655866 UXGJYNODCVBKCB-IUCAKERBSA-N 266.370 0.809 0 50 CCAA Cn1cnc(/C=C/c2nc(O)c3cnn(C)c3n2)c1 669819035 QFAABAMHKCBDMJ-ONEGZZNKSA-N 256.269 0.973 0 50 CCAA Cc1cc(Cn2cnc3c(cnn3C)c2=O)nn1C 676055857 WZBTZBORBYHDRG-UHFFFAOYSA-N 258.285 0.220 0 50 CCAA COCCOc1cccc(C(=O)NCC(=O)N(C)OC)c1 585087413 UVIBQZNUZRVKQU-UHFFFAOYSA-N 296.323 0.461 0 50 CCAA COc1ccccc1CNC(=O)[C@H](C)ONC(=N)CO 585122949 KKFUMBYQFWHTFQ-VIFPVBQESA-N 281.312 0.191 0 50 CCAA CCn1cc(CNC(=O)[C@@H]2NCC23CCCC3)nn1 1354074693 YCTUTNGTKVJOGD-NSHDSACASA-N 263.345 0.446 0 50 CCAA CC(=O)N1CCN(c2ncccc2F)C[C@@H](O)C1 1506399456 NXQUORYPLISYFW-JTQLQIEISA-N 253.277 0.250 0 50 CCAA COCCN1CCC(CN(C)CCn2cnnc2)CC1 1506412999 GNIMWBBCLLOXIA-UHFFFAOYSA-N 281.404 0.568 0 50 CCAA O=C1CO[C@H](C(=O)NCCCCO)[C@@H](c2ccccc2)N1 1529160213 ZGGFZYAZYVFZGQ-KGLIPLIRSA-N 292.335 0.131 0 50 CCAA CC(=O)NCCn1ccc2oc(=O)cc(C)c2c1=O 1547206360 MHGHAONDHXVAJK-UHFFFAOYSA-N 262.265 0.399 0 50 CCAA Cc1noc(-c2ccccc2C(=O)NS(C)(=O)=O)n1 1875390773 JEXWVSQYVWSZNE-UHFFFAOYSA-N 281.293 0.734 0 50 CCAA Cn1cc(CCC(=O)N2CC[C@](C)(C(=O)O)C2)cn1 262202695 VIPVJBURDABMKQ-ZDUSSCGKSA-N 265.313 0.676 0 50 CCAA Cc1onc(N)c1S(=O)(=O)N[C@H]1CCn2nccc2C1 1615606482 YVCZSCBGVYRFHW-QMMMGPOBSA-N 297.340 0.055 0 50 CCAA CCC[C@H](NC(C)=O)C(=O)N(CCO)Cc1cnc(C)[nH]1 1772700477 FGOIWPOKJWBLDT-ZDUSSCGKSA-N 296.371 0.344 0 50 CCAA O=C(NC[C@H](O)CN1CCCC1)c1cc(O)ccc1F 1772704180 GNAHJZPEFKQOGZ-NSHDSACASA-N 282.315 0.718 0 50 CCAA CC(=O)NCC(=O)N1CCO[C@H](CCc2ccccc2)C1 14953772 BVHRTZPWKGMNKU-OAHLLOKOSA-N 290.363 0.983 0 50 CCAA C[C@H]1CN(C(=O)[C@H]2CCCOC2)C[C@@H](C)N1CCO 408520562 LOLWZXQYUXGSTG-XQQFMLRXSA-N 270.373 0.327 0 50 CCAA CCn1cc(C(=O)N2CC[C@](C)(C(=O)O)C2)cn1 237233055 GOLCEHJKWJIVHS-LBPRGKRZSA-N 251.286 0.840 0 50 CCAA O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@@H]1COc2ccccc21 548017438 CXBCQWTZYUXAFN-DGCLKSJQSA-N 298.346 1.532 0 50 CCAA O=C(NC[C@H]1CN(C2CC2)CCO1)c1cccc(CO)c1 365981333 NQWRVRYWDJHOPE-HNNXBMFYSA-N 290.363 0.772 0 50 CCAA O=C(Cc1noc2ccccc12)N1CC[C@H](CO)[C@@H](O)C1 580274462 CBXAVKHLYQVKLE-MFKMUULPSA-N 290.319 0.572 0 50 CCAA C[S@@](=O)c1nncn1CCOc1ccccc1C(=O)O 843303184 BDNJVOLYJLIKLM-HXUWFJFHSA-N 295.320 0.793 0 50 CCAA CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCNC1=O)C(=O)O 1857783310 AQQXONIFJQMESP-RKDXNWHRSA-N 286.328 0.881 0 50 CCAA COc1ccccc1S(=O)(=O)NCC[C@@H]1CCNC1 110797632 VPEDGCJBPYGPTK-NSHDSACASA-N 284.381 0.973 0 50 CCAA O=C(O)CC1(NC(=O)c2cocn2)CCOCC1 663122863 OJOIRCQVSHDTMU-UHFFFAOYSA-N 254.242 0.428 0 50 CCAA CC(C)[C@H]1CN(C(=O)c2cn(C3CC3)nn2)CCN1 628171163 VGZFDAPDGHEAFP-LLVKDONJSA-N 263.345 0.683 0 50 CCAA O=C(NC[C@@]1(O)CCSC1)c1cn2c(n1)CCCC2 333449491 LLROWCNTFFKNRB-ZDUSSCGKSA-N 281.381 0.817 0 50 CCAA COc1nscc1CN(C)C(=O)C1(C(=O)O)CC1 723202069 OSDMTQQJIDHAPD-UHFFFAOYSA-N 270.310 0.975 0 50 CCAA CCN(CC(F)F)C(=O)[C@@H]1CC[C@@H](C(=O)O)NC1 2325756226 WWMNGKOEPKUTKI-SFYZADRCSA-N 264.272 0.553 0 50 CCAA CN(C)[C@@H]1CCN(c2cc(C(N)=O)nc(C3CC3)n2)C1 2325806051 OYKRIGSFKLEGGS-SNVBAGLBSA-N 275.356 0.593 0 50 CCAA CC1(C)CN(c2cc(O)ncn2)C[C@@]2(CCOC2)O1 893635231 VBHLHVGALJDGOM-CYBMUJFWSA-N 265.313 0.957 0 50 CCAA COCCN1Cc2nnc(-c3cnco3)n2[C@@H](C)C1=O 2356157848 UEJHTJFSXBVKFY-QMMMGPOBSA-N 277.284 0.483 0 50 CCAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@](O)(C(N)=O)C1 225416727 NJULZQOPWJMBDY-BFVZDQMLSA-N 294.376 0.609 0 50 CCAA COC(=O)c1ccc(C(=O)NCC[C@H](C)[S@](C)=O)[nH]1 343102565 WSYPWWWIKQBRPM-RLBGWGEZSA-N 286.353 0.688 0 50 CCAA C[C@@H]1CN(C(=O)[C@H](CN)c2ccccc2)C[C@@H](C)N1 247324624 TVTYVJRLAZINPH-YRGRVCCFSA-N 261.369 0.938 0 50 CCAA CN1C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O 307208866 JZAYWRFIDOHVQS-MRVPVSSYSA-N 269.301 0.500 0 50 CCAA Cc1cnc(CNc2nc(N)nc3c2CCNC3)cn1 67817826 YCFKOKVVDLWYJF-UHFFFAOYSA-N 271.328 0.415 0 50 CCAA CCc1c(C)nn(CC(=O)N[C@@H]2CCOC[C@H]2OC)c1C 219691294 TWHQAQMLVPNCCN-ZIAGYGMSSA-N 295.383 0.982 0 50 CCAA Cc1ncc(C(=O)N2CCC([C@H](C)N(C)C)CC2)c(=O)[nH]1 77438231 CAKKQCVQRJDNJM-JTQLQIEISA-N 292.383 0.881 0 50 CCAA O=C(NCc1noc(C2CCC2)n1)c1nc2ncccn2n1 216270298 ZCYRLADHLISZRY-UHFFFAOYSA-N 299.294 0.705 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@@H](C)N1 153300244 WKHNJVCWOGHBFU-GHMZBOCLSA-N 290.367 0.677 0 50 CCAA O=C(NCc1csc(=O)[nH]1)[C@H](C1CC1)N1CCCC1 156691795 MMTOBTAZIRPZBO-NSHDSACASA-N 281.381 0.927 0 50 CCAA CCOC(=O)C(C)(C)NC(=O)[C@H]1C[C@@]12CCNC2 369815056 WEAFQYNLKAIJNL-NOZJJQNGSA-N 254.330 0.444 0 50 CCAA CCOC1CC(C(=O)N2CCOC[C@H]2c2ncon2)C1 376933835 UXGBYSNBFOLVPC-ILDUYXDCSA-N 281.312 0.785 0 50 CCAA CCCc1cc(C(=O)NCc2n[nH]c(C)n2)n(C)n1 77357202 QFMIOYKDWVKLQS-UHFFFAOYSA-N 262.317 0.729 0 50 CCAA O=C(NS(=O)(=O)C[C@H]1CCOC1)c1cscn1 157967891 ZVPMDZHYGMWWOP-ZETCQYMHSA-N 276.339 0.239 0 50 CCAA O=C(CCc1cc(Cl)no1)N1CCOC[C@H](CO)C1 77459955 KQCQWZLUNHIWFL-VIFPVBQESA-N 288.731 0.728 0 50 CCAA C[C@@](O)(C(=O)NC[C@H]1CCCCS1(=O)=O)C1CC1 332810523 OUFISPQDQOFYIZ-PWSUYJOCSA-N 275.370 0.231 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)[C@@]2(OC)CCOC2)[C@]12CCCO2 332933711 DIHPICRYADUQCQ-CTHBEMJXSA-N 299.367 0.635 0 50 CCAA Cc1cccc(NC(=O)CN2CC[C@@H](CO)[C@H](O)C2)c1 239352181 ABJOZQJWBNOZOH-GXTWGEPZSA-N 278.352 0.609 0 50 CCAA C[C@@H]1CN(C(=O)C2C[C@@H]3CCC[C@H](C2)C3N)C[C@H]1N 333500644 DHVZFINQINOGFZ-KFPWZJCLSA-N 265.401 0.946 0 50 CCAA O=C(N[C@H]1CCCCNC1)N1CC[C@@]2(CCCNC2)C1 334941078 OMBIEHICCDJNDJ-DZGCQCFKSA-N 280.416 0.914 0 50 CCAA C[C@@H]1CCCN1C(=O)C(=O)N1CCC([C@H]2CCCN2)CC1 335067789 MMZFUQVFVBPLFA-TZMCWYRMSA-N 293.411 0.988 0 50 CCAA O=c1c2cc(F)ccc2ncn1CCN1CCNCC1 43151175 IYLAGZKVIWPPHG-UHFFFAOYSA-N 276.315 0.441 0 50 CCAA O=C(NCc1n[nH]c2c1CCC2)N1CCc2nc[nH]c2C1 426549892 IBLGCKHKPWDIOS-UHFFFAOYSA-N 286.339 0.889 0 50 CCAA CCN(CCn1cccn1)Cc1cc(=O)n2[nH]cnc2n1 334159658 RKBCIBFPPBSRQB-UHFFFAOYSA-N 287.327 0.136 0 50 CCAA COc1cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)nn1C 292576499 PENYCOHODNEIGX-CQSZACIVSA-N 278.356 0.597 0 50 CCAA CSCC[C@H](NC(=O)Cc1nonc1C)C(=O)O 426438983 RENUSMYJIBECFT-ZETCQYMHSA-N 273.314 0.243 0 50 CCAA Cc1cc(=O)cc(C(=O)NC2(C(N)=O)CCCCCC2)[nH]1 426575010 LOGWVNVLLSQXES-UHFFFAOYSA-N 291.351 0.991 0 50 CCAA COCC[C@]1(C(=O)O)CCCN(CCN2CCCC2=O)C1 91411358 BXFJITFAAWDORW-OAHLLOKOSA-N 298.383 0.812 0 50 CCAA C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@H]1CO 179616388 VHAFLHRGEIWVCN-IJLUTSLNSA-N 257.330 0.554 0 50 CCAA CN(CC(=O)N(C)Cc1n[nH]c2c1CCCC2)C(N)=O 426397435 OLNJWMCDYWJTAL-UHFFFAOYSA-N 279.344 0.257 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H]1C(=O)O 237717750 XEAFOBVZNRYXIV-SNVBAGLBSA-N 281.312 0.491 0 50 CCAA CC1(C)SC[C@H](C(=O)NCCc2cc[nH]n2)NC1=O 534667788 JIQJWPKPUCMLPS-SECBINFHSA-N 282.369 0.079 0 50 CCAA Cc1nccn1CCNC(=O)c1cnn2ccn(C)c12 584896132 LRCVNNZCGVXMEF-UHFFFAOYSA-N 272.312 0.608 0 50 CCAA Cc1nn(CCCNC(=O)N(C)C[C@@H](O)CO)c(C)c1C 584897833 BQCNXFLPCVNDSH-CYBMUJFWSA-N 298.387 0.193 0 50 CCAA O=C1CC[C@]2(CCN(C(=O)C3(C(=O)O)CCCC3)C2)N1 1875292419 HUEXGWPYVXNEIE-CYBMUJFWSA-N 280.324 0.513 0 50 CCAA O=S(=O)(N1CCCCCC1)N1CC[C@H]2CCNC[C@@H]21 1875268545 LHEIECBSTBFUEV-OLZOCXBDSA-N 287.429 0.791 0 50 CCAA CCc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)[nH]1 1875280616 AVJOANRREZIPKT-ZDUSSCGKSA-N 251.330 0.374 0 50 CCAA O=C1CCCc2[nH]c(C(=O)N3C[C@H](O)CO3)cc21 1875301591 PALNBGLOECEVAB-ZETCQYMHSA-N 250.254 0.282 0 50 CCAA Cc1nc(C)c(F)c(N2CCc3c(O)nc(O)nc3C2)n1 1875307010 UAHROFSEFKIHDW-UHFFFAOYSA-N 291.286 0.996 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCc2cnc[nH]2)CC1 1875369423 NDYZLBSFLGZVPL-UHFFFAOYSA-N 262.313 0.451 0 50 CCAA Cc1nc2ncnn2c(NCc2cc(C(=O)O)n[nH]2)c1F 1875333142 CZVMBRCWPDQSMT-UHFFFAOYSA-N 291.246 0.605 0 50 CCAA O=C(NC[C@@H]1CCCO1)c1cnc2sccn2c1=O 16650584 CKJBNRLFYRTKGV-QMMMGPOBSA-N 279.321 0.665 0 50 CCAA CC(C)c1ocnc1Cn1cnc2c(nnn2C)c1=O 1345931556 RVBQJDRKEVWJMI-UHFFFAOYSA-N 274.284 0.685 0 50 CCAA COC[C@H](O)CN[C@H]1COc2cc(F)ccc2C1 1346339372 LLTCBDJUJFPHIF-VXGBXAGGSA-N 255.289 0.726 0 50 CCAA CC(C)(C)OC(=O)NC[C@H]1CNC[C@@]1(F)C(=O)O 1772715829 WGPNHLMFUYSENG-HQJQHLMTSA-N 262.281 0.523 0 50 CCAA c1cn([C@H]2CCCN(c3nccn4nnnc34)CC2)nn1 895103831 CDVBCCJGNVXURY-JTQLQIEISA-N 285.315 0.342 0 50 CCAA C=CC(=O)NCCc1ccc(S(C)(=O)=O)cc1 1776007344 IGBAWKJWKKQPRI-UHFFFAOYSA-N 253.323 0.935 0 50 CCAA CNC(=O)CO[N@]1CC1(C(F)(F)F)C(F)(F)F 1857524856 BCACRRQJQQITLG-OAHLLOKOSA-N 266.141 0.843 0 50 CCAA CCn1cc(CN2CCC[C@H](O)[C@@H]2C(=O)OC)cn1 188790347 YXIIZRLBNYDJNX-NWDGAFQWSA-N 267.329 0.401 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)C2CC=CC2)C1 644038162 CZQNAXMHJOIJLB-CQSZACIVSA-N 266.341 0.442 0 50 CCAA CO[C@@H](C(=O)N1CC(OCc2nnc(C)o2)C1)C1CC1 644216465 XPUGVYYFRBDGKN-GFCCVEGCSA-N 281.312 0.530 0 50 CCAA CCNS(=O)(=O)[C@@H]1CCN(Cc2cccnc2OC)C1 193467013 NJXFSWCTNIHNBP-GFCCVEGCSA-N 299.396 0.604 0 50 CCAA O=C([C@@H]1CCCN1)N1CCC([C@H](O)C(F)(F)F)CC1 195554391 AGQLRGJTNKELIU-UWVGGRQHSA-N 280.290 0.900 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1CCO[C@H](C(C)C)C1 657604329 LSKJRBCLEVZXJV-MROQNXINSA-N 291.413 0.592 0 50 CCAA Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)C(=O)O)c1 578027211 RWJHHMSTPGYIAC-MRVPVSSYSA-N 293.728 0.372 0 50 CCAA C[C@@H](CN1CCCC1)CN(C)C(=O)CCS(C)(=O)=O 1506423585 GKCRUHKXOYOJDX-GFCCVEGCSA-N 290.429 0.611 0 50 CCAA CCCN1C[C@H](Nc2nc(C)cc(C(=O)O)n2)CC1=O 1506420065 SGUXZNRBZKVMFM-SECBINFHSA-N 278.312 0.906 0 50 CCAA Cc1nnc(CN(C)C(=O)[C@H]2CCc3ncnn3C2)o1 1857695628 RMEGJXSFUBUGKR-VIFPVBQESA-N 276.300 0.191 0 50 CCAA C[C@]1(C(=O)O)CCCN1Cc1ncnn1CCF 652481028 ZAETZPBNKCXDIO-LLVKDONJSA-N 256.281 0.687 0 50 CCAA NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCO2)cc1 804624 XYZNRFUYDHNPBE-GFCCVEGCSA-N 298.364 0.172 0 50 CCAA Cc1csc(CN(C)C(=O)CN2CCC[C@H](O)C2)n1 584903601 GBDQEGDWRCHSSY-NSHDSACASA-N 283.397 0.867 0 50 CCAA COCCc1noc(CNc2ncc(F)c(OC)n2)n1 1772707791 YZZLNLSZMACJDF-UHFFFAOYSA-N 283.263 0.808 0 50 CCAA CC[C@H]1COCc2nnc(-c3nc[nH]c3C(=O)NC)n21 1772810972 MMYHCPSXNWMKAX-ZETCQYMHSA-N 276.300 0.509 0 50 CCAA CN1C[C@H](CN2CCN(c3ncccn3)CC2)CCC1=O 1772810370 LELGFDTWRPQRFO-CYBMUJFWSA-N 289.383 0.467 0 50 CCAA O=C(c1cnc2ccccn2c1=O)N1CCC[C@H]1C1(O)CC1 1772809116 MRUIZJFYRQWTSP-LBPRGKRZSA-N 299.330 0.824 0 50 CCAA COC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 6701547 NVDHONAJRRGQLW-VIFPVBQESA-N 286.353 0.407 0 50 CCAA Cn1c(O)nc2cc(C(=O)N3CC[C@@H](CN)C3)ccc21 408519265 PBTNBFSHLBUMAC-VIFPVBQESA-N 274.324 0.700 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)C=C1CCC1 818378952 DDIQAYCHHNPXRM-CQSZACIVSA-N 266.341 0.850 0 50 CCAA C=CC(=O)N(CC)CC(=O)NCC1(N2CCOCC2)CC1 907759722 OPAILPTULUYBGD-UHFFFAOYSA-N 295.383 0.002 0 50 CCAA Cc1nn[nH]c1C(=O)N1CC[C@](CO)(c2ccccc2)C1 812734169 FRXRJSHCEYSPNU-HNNXBMFYSA-N 286.335 0.889 0 50 CCAA Cc1cc(NC(=O)CSc2nc(N)cc(N)n2)no1 2769116 HAMMXTQEXAIGON-UHFFFAOYSA-N 280.313 0.668 0 50 CCAA OCCOCCN1CCN(Cc2cccnc2)CC1 23114785 JKZGITYTPJRTSB-UHFFFAOYSA-N 265.357 0.208 0 50 CCAA Cc1cc(C)c(S(=O)(=O)N2C[C@@H](CO)[C@@H](O)C2)s1 317555673 ZJJXROSAFQPVLH-UWVGGRQHSA-N 291.394 0.339 0 50 CCAA CSC[C@H](NC(=O)c1cc(C)n(C)n1)C(=O)O 426490548 LEFAUTOTZRHOBS-QMMMGPOBSA-N 257.315 0.275 0 50 CCAA N[C@@H](CCO)C(=O)N1CCC(Nc2ccccc2F)CC1 2325800940 NUFBAIXIQHJNNB-ZDUSSCGKSA-N 295.358 0.938 0 50 CCAA O=C(O)C1(C(=O)N2CC[C@H](c3cc(O)n[nH]3)C2)CC=CC1 2325829295 FKXDIUAOBOBPOA-VIFPVBQESA-N 291.307 0.852 0 50 CCAA Cc1ccc(C)c(S(=O)(=O)NC(=O)[C@@H](C)O)c1 236729 MEBBPZOSAPTHJP-SECBINFHSA-N 257.311 0.489 0 50 CCAA Cn1ncc2ncc(C(=O)N3[C@H]4CC[C@@H]3CC(=O)NC4)cc21 2356141666 KTZHTMPJLJDIEO-MNOVXSKESA-N 299.334 0.461 0 50 CCAA O[C@@H]1[C@@H](Nc2ccc(Cl)cc2)OC[C@@H](O)[C@@H]1O 4644944 GFNOCUJAOLWDMO-RCWTZXSCSA-N 259.689 0.191 0 50 CCAA CC(=O)N[C@@H](C(=O)NCc1c(C)n[nH]c1C)C(C)C 103271354 CYHWGTPGIVYAHT-GFCCVEGCSA-N 266.345 0.803 0 50 CCAA O=C(NC1CC1)[C@H]1CCCN1c1cn[nH]c(=O)c1Cl 134896198 YKLKHLHJNFTTNY-MRVPVSSYSA-N 282.731 0.671 0 50 CCAA CC(=O)Nc1cc(NC(C)=O)nc(NC(C)=O)n1 25491336 GZNJXHVCKLCEBE-UHFFFAOYSA-N 251.246 0.352 0 50 CCAA COCCN1C[C@H](C(=O)NCCC2(O)CCCC2)CC1=O 404214254 YGWOYMQXOHGEIR-GFCCVEGCSA-N 298.383 0.293 0 50 CCAA O=S(=O)(CCC1CCC1)NC[C@H]1CCCS1(=O)=O 329856885 VARDFTFVFKHKDH-LLVKDONJSA-N 295.426 0.673 0 50 CCAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)[C@@H]2CCOC2)C1 229829874 ODHCNDBTWPSSQX-AXFHLTTASA-N 262.375 0.035 0 50 CCAA CN(CC(N)=O)C[C@@H]1CN([C@H]2C=CCCC2)CCO1 253398443 QUGLVFIXOJZQIS-QWHCGFSZSA-N 267.373 0.213 0 50 CCAA COc1ccc(CN(C)[C@@H](C)CN2CCOCC2)nn1 282498479 NEBKMUUPBYYUHH-LBPRGKRZSA-N 280.372 0.638 0 50 CCAA Cc1noc([C@@H]2CCN(C(=O)Cn3cccn3)C2)n1 329055404 LZKUCKYSSKSPOW-SNVBAGLBSA-N 261.285 0.591 0 50 CCAA COCc1cc(NCCNC(C)=O)n2nccc2n1 72410984 UFCSGXDGFTXVNK-UHFFFAOYSA-N 263.301 0.424 0 50 CCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCCCc1cccnc1 215641162 DMTQGDKUKCKRAD-NSHDSACASA-N 290.323 0.119 0 50 CCAA CN1C[C@@H](CNC(=O)Cc2ccsc2)OCC1=O 216339709 ZIHOLNVCIGPQAZ-SNVBAGLBSA-N 268.338 0.264 0 50 CCAA Cn1nnnc1CN1C(=O)N[C@](C)(c2ccsc2)C1=O 331655018 XGCZKHAHSIDKAE-LLVKDONJSA-N 292.324 0.239 0 50 CCAA CC(=O)N1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 331827525 AXNPTPZRIYLFRY-ZDUSSCGKSA-N 292.383 0.968 0 50 CCAA O=C([C@@H]1CCCO1)N1CCNC[C@@H]1c1cccnc1 261968678 NASZLWHOQPLMEV-OLZOCXBDSA-N 261.325 0.734 0 50 CCAA CN(C)C/C=C/C(=O)NCCNC(=O)c1cccs1 492303899 KMSSEJGGXCFRDB-ZZXKWVIFSA-N 281.381 0.712 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CCC2CCOCC2)CCO1 262949575 IPPLDSBUZLALDG-LLVKDONJSA-N 271.313 0.505 0 50 CCAA COc1ccc(F)cc1C(=O)N[C@@H]1CCNC[C@H]1O 77355880 HQOYAJZZXQZGQB-GHMZBOCLSA-N 268.288 0.287 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)[C@@H]1C 284921244 BUKHHZUTHGRYIT-IUCAKERBSA-N 287.341 0.212 0 50 CCAA Cc1cc(C)n(CC(=O)NCCC[C@@H]2CCOC2)c(=O)n1 223358572 HMDFYPOSBOYHAC-CYBMUJFWSA-N 293.367 0.793 0 50 CCAA COc1ccc(F)cc1C(=O)N1CCOC[C@@H]1CO 222315041 DYLLWJJJMSHTAW-JTQLQIEISA-N 269.272 0.668 0 50 CCAA CCc1noc(CCNC(=O)Nc2nc(CC)n(C)n2)n1 48488823 PKOPWDRKMNHNSV-UHFFFAOYSA-N 293.331 0.687 0 50 CCAA CCOC(=O)c1ccc(NCCNC(=O)NC)c(N)c1 45796131 IYXZKYVYQFXIKV-UHFFFAOYSA-N 280.328 0.786 0 50 CCAA CCOC[C@H](O)CNC(=O)c1cc(OC)cc(C(=O)O)c1 426707220 NMXNFEWVVKIYGL-LLVKDONJSA-N 297.307 0.521 0 50 CCAA Cc1cc(O)nc(CCNC(=O)N(C)CCCN(C)C)n1 426493139 ZAMZOQKAQXGUKP-UHFFFAOYSA-N 295.387 0.626 0 50 CCAA O=C(CC1=CCCC1)N[C@@H]1CCOC[C@H]1OCCO 222742210 PHSZAAFGIUZXED-CHWSQXEVSA-N 269.341 0.769 0 50 CCAA COc1ccc(C(=O)N2CCC2)c(OCCN)c1 426487735 YLXFAQKVMACEMO-UHFFFAOYSA-N 250.298 0.879 0 50 CCAA O=C1[C@H]2[C@H](C(=O)N1C[C@H](O)c1ccccc1)[C@H]1C=C[C@H]2O1 239302851 FREIRFWNHZCLAZ-RYMFRWLXSA-N 285.299 0.658 0 50 CCAA Cn1cnnc1CCC(=O)N1CCN[C@H](c2ccccc2)C1 97681717 MMXFRDGAAGBHRR-AWEZNQCLSA-N 299.378 0.921 0 50 CCAA CC(C)c1cc(NCc2nc(C(N)=O)no2)nc(N)n1 95378513 VHXNFYRGASTUJU-UHFFFAOYSA-N 277.288 0.276 0 50 CCAA CC(C)(CN1CC[C@]2(CCCNC2=O)C1)N1CCOCC1 91645829 CNKCRDDOMYKPBK-MRXNPFEDSA-N 295.427 0.699 0 50 CCAA CC(C)N1CCC(CC(=O)NCc2nnn[nH]2)CC1 95383759 NOKKGWCXNPIMIS-UHFFFAOYSA-N 266.349 0.326 0 50 CCAA COCCNC(=O)c1c(-n2cnnn2)sc(C)c1C 524734750 JYRQOCMDZWVCBV-UHFFFAOYSA-N 281.341 0.717 0 50 CCAA Cc1noc(CN(C)C(=O)COC[C@@H]2CCCO2)n1 244900154 ZXABLWZZJCPTOD-JTQLQIEISA-N 269.301 0.532 0 50 CCAA CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(CCCOC)C(=O)[C@H]13)O2 244734783 NLUZJOIRSXXCLK-FJJYHAOUSA-N 295.335 0.368 0 50 CCAA Cc1nc([C@H](C)NC(=O)c2ccc(-n3cnnn3)cc2)n[nH]1 343327743 BLHLUEFKLZYETR-QMMMGPOBSA-N 298.310 0.580 0 50 CCAA COCC1(CNC(=O)CN2CCC[C@H](O)C2)CCCC1 534583389 OLTQULHYWBSOLJ-ZDUSSCGKSA-N 284.400 0.766 0 50 CCAA CCc1nccn1CC(=O)NCCc1nnc(N)s1 299774890 IIIZABANQXCICI-UHFFFAOYSA-N 280.357 0.238 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCn1ccnc1C 299757890 IFWPMWWSOXEQTN-KBPBESRZSA-N 294.399 0.805 0 50 CCAA C[C@H](CNC(=O)N(CCCO)Cc1cccnc1)N(C)C 828753642 CAXJUAIZVGGCMA-CYBMUJFWSA-N 294.399 0.926 0 50 CCAA Cc1cnc([C@H](C)NC(=O)CN2CCCN(C)CC2)[nH]1 823778337 DWHDEPKFZAZLPN-LBPRGKRZSA-N 279.388 0.533 0 50 CCAA COC(C)(C)C(=O)NCCCN1CCCC[C@H]1CO 828710766 CJUGQQIIRIGXOS-LBPRGKRZSA-N 272.389 0.765 0 50 CCAA CCCn1ccnc1CNC(=O)CN1CCC[C@H](O)C1 823031056 ZVVGVQCOEGIMTK-LBPRGKRZSA-N 280.372 0.366 0 50 CCAA COCCN1CC[C@@H](CNC(=O)c2ccc(C)nc2O)C1 824412467 VKSYXQSYAGNDJM-LBPRGKRZSA-N 293.367 0.794 0 50 CCAA Cn1ccc(NC(=O)CN2CCC[C@@H](c3cc[nH]n3)C2)n1 670467461 PGMXMJBKQQLJPX-LLVKDONJSA-N 288.355 0.961 0 50 CCAA CN(CC(=O)N1CCOCC1)C[C@H]1CCN(C)C1(C)C 670468095 BJTPHLZYYIASKJ-CYBMUJFWSA-N 283.416 0.507 0 50 CCAA Cc1cnn(CC(=O)NC[C@H](C(=O)O)C2CCOCC2)c1 864274924 RZXWEUDGIJGBFN-LBPRGKRZSA-N 295.339 0.435 0 50 CCAA O=C(C=C1CCNCC1)N1CCCc2n[nH]cc2C1 952894559 NZGRJHJKOBHAJO-UHFFFAOYSA-N 260.341 0.994 0 50 CCAA C[C@@H](O)[C@H](O)CNC(=O)c1ccc(Cn2cccn2)cc1 871125585 OSJFDLZVGAMQDR-BXUZGUMPSA-N 289.335 0.403 0 50 CCAA CC(C)C[C@@H](N)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958528484 URGWVBNASKGPAC-FBTJUVTCSA-N 261.387 0.831 0 50 CCAA O=C(C[C@H]1CSCCS1)NCCc1nc(O)n[nH]1 1875252349 MXGZOCGXDINPKL-ZETCQYMHSA-N 288.398 0.408 0 50 CCAA O=C([C@@H]1CC12CC2)N1CCCC[C@H]1Cc1nn[nH]n1 1875285832 BITVZGDRNQZMDR-UWVGGRQHSA-N 261.329 0.923 0 50 CCAA CC(=O)c1ccc(C(=O)O[C@H]2CCN(C)C2=O)[nH]1 1875263749 QXVQOHMCODAJFC-JTQLQIEISA-N 250.254 0.605 0 50 CCAA NC(=O)[C@H]1C[C@H]2[C@H](C1)C[C@H]2NC(=O)c1ccnc2[nH]ncc12 1875358847 LRODTSFDVFSRHO-CUKVJPMHSA-N 299.334 0.588 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H]1CC[C@H]2CN(C)C[C@H]2C1 1875376717 GPPOJTUHUCPOOI-DACWGTRXSA-N 265.401 0.951 0 50 CCAA CN1CCN(C[C@@H]2CCCN(C(=O)CC3CNC3)C2)CC1 952985795 HIERKMUXLLPCMA-AWEZNQCLSA-N 294.443 0.082 0 50 CCAA Cc1cc(N)n(CC(=O)NCCc2ccncc2)n1 952986847 GOVFQHMLCRQYRQ-UHFFFAOYSA-N 259.313 0.528 0 50 CCAA C[C@]12CN(C(=O)c3nnc(O)nc3O)C[C@H]1[C@H]1C=C[C@@H]2C1 887875990 YRRVMDBDWJIPCZ-RSVXVWGFSA-N 288.307 0.567 0 50 CCAA C[C@H]1C(=O)NCCN1c1nc(N)cc(C(C)(C)C)n1 888097613 LBNFYXOLCDXDON-QMMMGPOBSA-N 263.345 0.681 0 50 CCAA O=C(NCc1nc(O)cc(O)n1)c1cc(F)c(O)c(F)c1 1418621660 KMFKKFJLUNRNEM-UHFFFAOYSA-N 297.217 0.802 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)CCc1cccnc1 1565514931 RXYLWSQGTUTZFP-STQMWFEESA-N 264.325 0.934 0 50 CCAA CCOC[C@H]1CN(C(=O)CSCC(=O)O)CCO1 600876653 NPIQMGYTZMKTSX-SECBINFHSA-N 277.342 0.068 0 50 CCAA CCn1nnc(C)c1CN1CCC[C@]1(COC)C(N)=O 643764293 TXSYVLGINICPCT-ZDUSSCGKSA-N 281.360 0.073 0 50 CCAA COc1ccnc(CNC(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1F 666630744 VAJNTKWRYIYGEL-MYJAWHEDSA-N 295.314 0.609 0 50 CCAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CNC2CC2)C1 582120538 AJXFQWKZSLKOCG-WDEREUQCSA-N 280.328 0.418 0 50 CCAA CC[C@@H]1C(=O)N(C)CCN1S(=O)(=O)N1CCCCC1 1506396875 HKTJVGDPDCXPBY-LLVKDONJSA-N 289.401 0.270 0 50 CCAA O=C(NCCCN1CCCC1=O)c1ccc2c[nH]nc2n1 1800411134 GOUWHIIIZSXQLG-UHFFFAOYSA-N 287.323 0.700 0 50 CCAA CC(C)(C)OC(=O)NCCOCCOCC(=O)O 14632670 OMBVJVWVXRNDSL-UHFFFAOYSA-N 263.290 0.629 0 50 CCAA in-vitro CNC(=O)c1cnn(-c2ccccc2)c1C(=O)NC 670422540 SEPNTAJHDQVPEY-UHFFFAOYSA-N 258.281 0.592 0 50 CCAA Cc1noc(CCCC(=O)N2C[C@H](C)N[C@H](C)C2)n1 154084720 SYGDLQYFRFPTRP-AOOOYVTPSA-N 266.345 0.910 0 50 CCAA COc1cc(OC)c(OC)cc1CNc1nnnn1C 5019431 ACLYFQMNTMHFHL-UHFFFAOYSA-N 279.300 0.848 0 50 CCAA COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1OC 16649694 SESUIUKYDPVSKI-UHFFFAOYSA-N 273.310 0.732 0 50 CCAA CCOC(=O)C(=O)N1CCC[C@@H](C(=O)OCC)C1 2727474 KZHGYAADUPSLKF-SECBINFHSA-N 257.286 0.351 0 50 CCAA N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O 2384992 UYKREHOKELZSPB-JTQLQIEISA-N 261.281 0.239 0 50 CCAA endogenous,in-man COc1cccc(C[C@H]2NC(=O)[C@@H](CSC)NC2=O)c1 1857532769 RVUYZAJXXXOYKD-VXGBXAGGSA-N 294.376 0.584 0 50 CCAA CO[C@@H](C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccccc1 1875240554 BETAJJHUCVTBDV-DHGKCCLASA-N 293.319 0.017 0 50 CCAA O=C(c1ccnc(O)c1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1875248955 AGHSBEDMUZEKFZ-ZIAGYGMSSA-N 299.330 0.858 0 50 CCAA Cc1nc(-c2cn3c(n2)CCNCC3)n([C@H]2CCOC2)n1 1875251240 RHLMTHVEQRYWTN-NSHDSACASA-N 288.355 0.557 0 50 CCAA C[C@@H](NC(=O)[C@@H]1COCCO1)c1ncc(C(=O)O)s1 621609194 HPGDMURPOFJZGC-RQJHMYQMSA-N 286.309 0.434 0 50 CCAA N[C@@H]1CCC[C@@H](C(=O)N2CCN(Cc3ccon3)CC2)C1 237862870 IREKOJIGGKCXKH-CHWSQXEVSA-N 292.383 0.836 0 50 CCAA OC[C@H]1CN(Cc2cc3c(cc2Cl)OCCO3)C[C@H]1O 459697765 YTUSVOAXNZTZGS-ZYHUDNBSSA-N 299.754 0.896 0 50 CCAA CO[C@@H]1Cc2ccccc2N(CC(=O)N2CCNC2=O)C1 374360044 OGKDSVINWRTYAI-GFCCVEGCSA-N 289.335 0.616 0 50 CCAA CCn1cc(C(=O)N(C2CC2)[C@@H](C)C(=O)O)cn1 262678256 ZCBJXJPQGUNUSF-QMMMGPOBSA-N 251.286 0.981 0 50 CCAA C[C@@]1(NC(=O)c2ccnc(C(=O)O)c2)CCOC1 164865858 YBMBQAGZUVJMLK-GFCCVEGCSA-N 250.254 0.689 0 50 CCAA CCn1cc(CN2C[C@H]3COC[C@@H]2CN(C)C3)cn1 1704324747 DXXVJAJALGKNOI-KBPBESRZSA-N 264.373 0.665 0 50 CCAA COc1cc(CN2CC[C@H](C(=O)O)[C@H](O)C2)cc(OC)c1 1704313916 SEDVXTPBDLTXPU-UONOGXRCSA-N 295.335 0.971 0 50 CCAA Cc1nc(C(=O)O[C@H]2CNOC2)nn1-c1ccc(F)cc1 808088639 FKNLQSGRMBGLIN-NSHDSACASA-N 292.270 0.775 0 50 CCAA O=C1NCC[C@H]1N1CCn2nc(C(F)(F)F)cc2C1 932598334 KWTACLNKVBMSGL-MRVPVSSYSA-N 274.246 0.606 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 848979590 ZBZRXZMJPXUXIK-NSHDSACASA-N 282.340 0.433 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CCO1 238132302 VGHPFYPPJMDBLQ-SNVBAGLBSA-N 279.296 0.214 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)CC1CCOCC1 257663079 FHCCPIIMUPXXDF-NSHDSACASA-N 271.313 0.505 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)C2CCSCC2)CCO1 257740118 XVWHDKXOQIKOOJ-VIFPVBQESA-N 259.327 0.442 0 50 CCAA Cc1cc(N2CCN(C[C@H](O)CO)CC2)cc(C)n1 97515138 OCFDMRMSAIWNTP-AWEZNQCLSA-N 265.357 0.174 0 50 CCAA CCc1ccccc1N(CC(=O)NC)S(C)(=O)=O 449911 HAMSERKZGGRPQW-UHFFFAOYSA-N 270.354 0.761 0 50 CCAA Cc1ccc(NS(=O)(=O)c2cnc(O)[nH]c2=O)cc1 4270274 PDIPUMFFNWHUPM-UHFFFAOYSA-N 281.293 0.585 0 50 CCAA O=C(O)COc1ccc(S(=O)(=O)NC2CC2)cc1 4344191 ANJAIEMDWDLAPX-UHFFFAOYSA-N 271.294 0.591 0 50 CCAA CN1CCN(NC(=O)COc2ccc(Cl)cc2)CC1 4611850 JZNYUJNRRMZSJH-UHFFFAOYSA-N 283.759 0.997 0 50 CCAA Cc1csc2ncc(C(=O)NC[C@H]3CCCO3)c(=O)n12 6504995 ZGXVBXUNNMKWJG-SECBINFHSA-N 293.348 0.973 0 50 CCAA C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 248377116 FQGZOQXOLMEZES-HBNTYKKESA-N 275.370 0.495 0 50 CCAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccc(Cn2cnnn2)cc1 1074613522 BMWKHNCLJQFSPL-BFHYXJOUSA-N 299.334 0.629 0 50 CCAA COCCN1CC[C@@H](CNC(=O)CCc2cnn(C)c2)C1 68492294 FDHFDAHOTRKWOW-AWEZNQCLSA-N 294.399 0.437 0 50 CCAA C[C@@H]1C[C@@H](NC(=O)c2cnnn2C)C(=O)N1c1ccccc1 253394777 DQXSZXNQNCVOHX-ZYHUDNBSSA-N 299.334 0.739 0 50 CCAA O=C1C[C@@H](NS(=O)(=O)N2CCCC2)[C@@H]2CCCCN12 328782722 HSMKYODXAHQYDJ-MNOVXSKESA-N 287.385 0.070 0 50 CCAA CN(C)CCCN(C)c1cc(C2CC(N)C2)nc(N)n1 218949350 GONZYMOWQFHSFO-UHFFFAOYSA-N 278.404 0.651 0 50 CCAA C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc(O)n1 283631823 OLIUMZWQLLSLIR-NSHDSACASA-N 293.367 0.704 0 50 CCAA CN(Cc1ccccc1)[C@@H]1CCN(Cc2nnnn2C)C1 370206545 BIYMLADPUROGDV-CQSZACIVSA-N 286.383 0.916 0 50 CCAA C[C@@H]1NCCC[C@@H]1NC(=O)N1CC[C@H]2NCC[C@H]2C1 333641200 IGXVKIQWGRMUAF-ZDEQEGDKSA-N 266.389 0.520 0 50 CCAA CC(=O)N[C@@H]1CCN(Cc2ccccc2OCC(=O)O)C1 215733824 RWEHHUAAIROWML-CYBMUJFWSA-N 292.335 0.860 0 50 CCAA COCC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 371626806 GEOJDTHJIGRWKD-JTQLQIEISA-N 277.324 0.127 0 50 CCAA C[C@@H](O)CNC(=O)Cn1cc(-c2ccccc2)nn1 129332815 SUXWXCLQCDXWFA-SNVBAGLBSA-N 260.297 0.442 0 50 CCAA CN1CC2(CN(C(=O)c3cn(C)nc3C3CC3)C2)OC1=O 496543335 RQWPHOUUQUCMDB-UHFFFAOYSA-N 290.323 0.574 0 50 CCAA CN(CC(=O)N1CCC(c2ccncc2)CC1)C(N)=O 426465036 ANSAKRIBOCWBTQ-UHFFFAOYSA-N 276.340 0.798 0 50 CCAA C[C@@H]1CN(C(=O)c2cnc(-c3ccncc3)nc2)CCN1 97463621 LIIBKRIROQBSAF-LLVKDONJSA-N 283.335 0.973 0 50 CCAA CCc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1CC 162031942 XFOOOSLPHHRSPT-VIFPVBQESA-N 284.381 0.964 0 50 CCAA CO[C@@H]1CN(c2ccnc3c2cnn3C)C[C@H]1c1cnn[nH]1 621335920 DKAWKXMTSWMRFL-GXFFZTMASA-N 299.338 0.705 0 50 CCAA Nc1nc(NCCCCCO)cc([C@H]2C[C@@H](N)C2)n1 241081875 YRVJKWDZBJNGAZ-AOOOYVTPSA-N 265.361 0.838 0 50 CCAA Cc1cc(=O)c(C(=O)N2CC[C@@H](N)C[C@H]2C)cn1C 534634856 PFTMKCWAKTWJCG-GHMZBOCLSA-N 263.341 0.646 0 50 CCAA Cc1nnnn1CCC(=O)NCCOc1ccccc1F 827822466 SRDWQLBEUVIBMJ-UHFFFAOYSA-N 293.302 0.706 0 50 CCAA O=C([C@@H](O)c1cnc[nH]1)N1CCC[C@H]1CN1CCCCC1 865141854 XIJHQOHNFDSJBE-JSGCOSHPSA-N 292.383 0.920 0 50 CCAA O=C(Nc1nc[nH]n1)c1csc(C2CCNCC2)n1 870864065 SFPUSBKOEBFFDJ-UHFFFAOYSA-N 278.341 0.981 0 50 CCAA COCc1nc(CNC(=O)N2CCC[C@@H]2C)no1 1875276623 JMNOIUJKFULMJC-QMMMGPOBSA-N 254.290 0.910 0 50 CCAA O=C(c1cccc(O)c1)N1Cc2n[nH]cc2[C@H]1CO 1875344163 GKMZXSUNPFRAPO-GFCCVEGCSA-N 259.265 0.805 0 50 CCAA O=C([C@H]1C[C@@H]2CC[C@H](C1)O2)N1C[C@H]2CCO[C@@]2(C(=O)O)C1 1875304838 WVQQZFWTTLTRDJ-CYRTVHNOSA-N 295.335 0.646 0 50 CCAA COCCCn1cnnc1CNC(=O)NC(C)(C)C 952983621 HSOJAYXIOBVRHH-UHFFFAOYSA-N 269.349 0.912 0 50 CCAA Cn1ncc2c1CCCN(C(=O)COC1(C)CNC1)C2 1775960658 YWBVSDFJWUACHI-UHFFFAOYSA-N 278.356 0.073 0 50 CCAA CS(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 19572552 RPAXVVFGLHGCSV-UHFFFAOYSA-N 272.345 0.903 0 50 CCAA CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1cn[nH]c1 270173626 FIYDZPULAYAABX-WCBMZHEXSA-N 282.369 0.898 0 50 CCAA C[C@@H]1CC[C@H](C(=O)N2CC[C@H](S(C)(=O)=O)C2)O1 407962603 DMCCBLCBXXCIIS-KXUCPTDWSA-N 261.343 0.199 0 50 CCAA C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@H]1CCOC(C)(C)C1 408521767 WFKXHYOVKOUNNM-CIUDSAMLSA-N 256.302 0.557 0 50 CCAA CCN(CC(=O)NC(C)C)S(=O)(=O)N1CC[C@@H](C)C1 221740303 QQGJGONYOKVIJR-LLVKDONJSA-N 291.417 0.420 0 50 CCAA CN(Cc1cnc(Cl)cn1)CC(C)(CO)CO 170607469 USBBGKBEDUTJGR-UHFFFAOYSA-N 259.737 0.553 0 50 CCAA Cc1cc(C[C@@H]2CN(c3n[nH]c(=N)s3)C[C@@H]2O)on1 1875245025 GWERWFHUTFRTED-APPZFPTMSA-N 281.341 0.287 0 50 CCAA Cc1cc(S(=O)(=O)N2CC[C@@H](N)C2)c(F)cc1F 123583664 ZLBFDXOUGTXDBH-MRVPVSSYSA-N 276.308 0.995 0 50 CCAA COCC(C)(C)C(=O)N(CCO)Cc1ncc[nH]1 1704316585 WFIAHIWCHFMURN-UHFFFAOYSA-N 255.318 0.403 0 50 CCAA C[C@H](NC(=O)N[C@H](C)c1nnnn1C)c1cncc(F)c1 1615615934 VIYPPPOSOJBSLZ-JGVFFNPUSA-N 293.306 0.866 0 50 CCAA Nc1nc(CCC(=O)N2CCC([C@@H](O)CO)CC2)cs1 1772711742 JTYAUIQNYSTMAI-NSHDSACASA-N 299.396 0.250 0 50 CCAA CCCC(=O)NCCNc1ccc(-n2cccn2)nn1 19924348 KHLODAIOPNPPDS-UHFFFAOYSA-N 274.328 0.991 0 50 CCAA Cc1nc(-c2cn3c(n2)CCNCC3)n(-c2cnn(C)c2)n1 1857710425 WVHXYCFKAANFMG-UHFFFAOYSA-N 298.354 0.318 0 50 CCAA C[C@@H]1C[C@@H](CNS(N)(=O)=O)CN1Cc1ccccc1 122115151 PMPPOLPUODHVJS-YPMHNXCESA-N 283.397 0.690 0 50 CCAA CCn1cc([C@H](C)NC(=O)N[C@@H]2CCCN(C)C2=O)cn1 527991992 DVBZDABIKOXDNO-CMPLNLGQSA-N 293.371 0.884 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cccc(CO)c1 336093033 WLQBGQTVBVTAKQ-BXKDBHETSA-N 262.309 0.576 0 50 CCAA NC(=O)COc1cccc(CN2C[C@H]3CCN[C@H]3C2)c1 247708968 HJECQUAQWVPCCL-OCCSQVGLSA-N 275.352 0.344 0 50 CCAA Nc1c(N2CCC[C@H](C(=O)O)C2)ncnc1-n1cccn1 263412836 MWEDYKYPNOHRFL-VIFPVBQESA-N 288.311 0.546 0 50 CCAA O=C(COc1cncnc1)NC[C@@H]1Cc2ccccc2O1 901706962 QYRMLIGDZAWITC-LBPRGKRZSA-N 285.303 0.975 0 50 CCAA COc1ccc([C@H]2CCCN2Cc2nc(=O)n(C)[nH]2)nc1 934343837 QKVMXOPGUOWBSV-GFCCVEGCSA-N 289.339 0.849 0 50 CCAA O=C1CCCN1CCN(C[C@@H]1CCCN1)C1CC1 328603714 GYPALIQQUIXMTK-LBPRGKRZSA-N 251.374 0.825 0 50 CCAA CCCOC[C@@H]1CCN(CC(=O)N2CCNCC2)C1 670450649 SZEJJPYAOTUVLE-CYBMUJFWSA-N 269.389 0.167 0 50 CCAA CCCS(=O)(=O)NC[C@H]1CCn2ccnc2C1 681822847 ZXTDIEVHSAOJTN-JTQLQIEISA-N 257.359 0.775 0 50 CCAA O=C(NC[C@@H]1CNCCO1)c1n[nH]cc1-c1ccncc1 2325796429 PPPNNQHUFQYZQH-NSHDSACASA-N 287.323 0.190 0 50 CCAA O=C(C=C1CCC1)NC1CCN([C@H](CCO)C(=O)O)CC1 2325796718 GXSZBGBJTNOQHO-CYBMUJFWSA-N 296.367 0.513 0 50 CCAA O=S(=O)(NCc1cn(CC(F)(F)F)nn1)C1CC1 899699409 KEMDLLBTWPCGGH-UHFFFAOYSA-N 284.263 0.422 0 50 CCAA O=S1(=O)C=C[C@H](S(=O)(=O)c2ccccc2)C1 1318915 DVWMJUAFBDCLCG-JTQLQIEISA-N 258.320 0.771 0 50 CCAA CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 1605725 GJNDXQBALKCYSZ-RYUDHWBXSA-N 264.325 0.782 0 50 CCAA endogenous,in-man CSC(C)(C)[C@H](N)C(=O)NCCCn1nc(C)nc1C 2356135079 OXMRULGPFUBAON-LLVKDONJSA-N 299.444 0.870 0 50 CCAA Cn1nnnc1SCC(=O)Nc1cccc(O)c1 2480315 YXLGNKGCIDGYDO-UHFFFAOYSA-N 265.298 0.647 0 50 CCAA Cn1nc2cccc(NC(=O)c3c[nH]c(=O)cn3)c2n1 2356169521 SNCNNYCUCGBQTH-UHFFFAOYSA-N 270.252 0.304 0 50 CCAA CCCC[C@@H](CCCc1c(O)[nH]c(=O)[nH]c1=O)C(=O)O 6757044 PDOCFQKZAQUNGN-QMMMGPOBSA-N 284.312 0.983 0 50 CCAA C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1c[nH]cn1 225400544 GYPWRMKTCVASGZ-MNOVXSKESA-N 286.401 0.808 0 50 CCAA O=C(CCN1CCCCO1)NCCSc1cn[nH]n1 55183337 YZCZLCOQAFTCMB-UHFFFAOYSA-N 285.373 0.431 0 50 CCAA O=C1N[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 103866059 XYDSJAMKIWEAES-YFKTTZPYSA-N 268.272 0.477 0 50 CCAA NCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1 22048557 UINSGVKWAFJDPI-UHFFFAOYSA-N 270.296 0.973 0 50 CCAA in-vitro N[C@@H]1CC[C@@H](NC(=O)CCn2c(=O)[nH]c3ccccc32)C1 67472964 LTQRSLKNBJIMHH-GHMZBOCLSA-N 288.351 0.716 0 50 CCAA O=C1CCCN1C[C@H](O)CS(=O)(=O)c1ccccc1 74889 CDVZSIGBJJKZGA-NSHDSACASA-N 283.349 0.444 0 50 CCAA O=C(O)C(=O)NCCCCNOCc1ccccc1 328598189 KWXXOBYCYXEYQL-UHFFFAOYSA-N 266.297 0.689 0 50 CCAA COCCC1(C(=O)Nc2ccn([C@H]3CCNC3)n2)CCC1 328633081 SJYCVHOORBDDPW-LBPRGKRZSA-N 292.383 1.563 0 50 CCAA Cc1[nH]c2c3cccnc3nn2c(=O)c1CC(=O)O 216627687 NUPXCFZZVWHXCK-UHFFFAOYSA-N 258.237 0.506 0 50 CCAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)[C@H]2CCOC2)C1 257366215 ODHCNDBTWPSSQX-DCAQKATOSA-N 262.375 0.035 0 50 CCAA CC(C)(C)n1nnnc1CN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 333031058 BVDWCFWXCIEWTK-DDHJBXDOSA-N 275.356 0.813 0 50 CCAA CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCC(=O)O)C1 237089854 MRKBBJMRFRSCRT-UWVGGRQHSA-N 270.329 0.472 0 50 CCAA CCOc1ncccc1C(=O)N1CCNC(=O)C[C@@H]1C 371010217 MQJXFURXLSCSBJ-JTQLQIEISA-N 277.324 0.831 0 50 CCAA Cc1cnc(C)c(N2CCC[C@@](O)(CN(C)C)C2)n1 72418441 NYFDCQUWGGJDLN-CQSZACIVSA-N 264.373 0.986 0 50 CCAA NS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCOC2)c1 44352929 HODVXTMVLOHKRY-SNVBAGLBSA-N 298.364 0.490 0 50 CCAA O=C(N=c1ccc(C2CC2)n[nH]1)N1CC(O)(C(F)F)C1 606444623 KKINZLMZPHVVPE-UHFFFAOYSA-N 284.266 0.620 0 50 CCAA NC(=O)c1cc(F)ccc1OCC[C@H]1CCNC1=O 530122037 RKEZCPSKAWIPQN-MRVPVSSYSA-N 266.272 0.830 0 50 CCAA CCOC(=O)C(C(=O)OCC)[C@H](O)C(F)(F)F 137319493 MJLGCAZDDADWAF-LURJTMIESA-N 258.192 0.652 0 50 CCAA CCn1ncc(CNC(=O)N2CCN(C)[C@@H](C(C)C)C2)n1 528087869 XPJAMMAYEDCCCI-CYBMUJFWSA-N 294.403 0.780 0 50 CCAA C[C@H](c1ccncn1)N(C)C(=O)CN1CCN(C)C1=O 426691330 SQQYCQTZWRRGOE-SNVBAGLBSA-N 277.328 0.363 0 50 CCAA O=C(CCc1cccnc1)NC[C@@H]1C[C@H](F)CN1 82134926 INSZFPCOVJLGPA-RYUDHWBXSA-N 251.305 0.830 0 50 CCAA CNC(=O)[C@H]1CCCCN1Cc1cnn(CCC(=O)O)c1 97463449 LOCNQJUHNSHVFR-GFCCVEGCSA-N 294.355 0.458 0 50 CCAA CC(C)N1CCO[C@H](CC(=O)NCc2ccon2)C1 97547436 NVIHVCLURQZJBM-GFCCVEGCSA-N 267.329 0.790 0 50 CCAA CCOC(=O)[C@H](Cc1ccccc1)N1C[C@H]1C(N)=O 239309370 HLOLXTJETWRSPL-YSWZKLOHSA-N 262.309 0.330 0 50 CCAA COCc1ccc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)o1 97546697 NIKGADVQOJCUFH-MRVPVSSYSA-N 271.294 0.467 0 50 CCAA CN(Cc1cc(=O)n2ccccc2n1)C[C@H]1COCCO1 244795854 RORLMOMSCYPWOA-ZDUSSCGKSA-N 289.335 0.542 0 50 CCAA CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1C 257358413 UDGNJVOMHNFBJL-WCDYYPSBSA-N 282.336 0.932 0 50 CCAA COc1ccncc1NC(=O)CN1CCCS1(=O)=O 299460978 CLQDBGRMMIVKAR-UHFFFAOYSA-N 285.325 0.064 0 50 CCAA CC(C)Cn1ncnc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C 299746266 WFQIBSOOBXEYJD-NEPJUHHUSA-N 292.387 0.532 0 50 CCAA CC(C)C1(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)CC1 629302523 BCODRWOTHIUWJU-SECBINFHSA-N 277.342 0.290 0 50 CCAA Cc1nc(NCCc2n[nH]c(=O)[nH]2)cc([C@@H]2CCOC2)n1 299800391 WJYYANZFKQQQKP-SECBINFHSA-N 290.327 0.355 0 50 CCAA CO[C@H]1CCN(Cc2cc(O)n3nc(C)nc3n2)C1 824300230 APLFIFRLCGNOMT-JTQLQIEISA-N 263.301 0.359 0 50 CCAA CCOC(C)(C)C(=O)NCCN1CCCC[C@H]1CO 823289040 KBUATPCZHJEJCZ-LBPRGKRZSA-N 272.389 0.765 0 50 CCAA Cc1nc2c([nH]1)CN(C(=O)[C@@H](C)N1CCCC1=O)CC2 584892870 BONNSTYLVWILNQ-SECBINFHSA-N 276.340 0.614 0 50 CCAA O=C(NCCN1CCC[C@@H](CO)C1)C1CCCC1 584899963 FNMHNFGKRRPFMB-GFCCVEGCSA-N 254.374 0.997 0 50 CCAA CN(C)CC1(O)CCN(C(=O)[C@H]2CCCCCN2C)CC1 670458528 AFNKFQRZLIHHGL-CQSZACIVSA-N 297.443 0.776 0 50 CCAA CN1C[C@H](CNC2Cc3ccccc3C2)OCC1=O 670449854 NNGAFSNSVPZWHM-AWEZNQCLSA-N 260.337 0.601 0 50 CCAA Cn1nncc1CN1CC[C@H](n2cc(C3CC3)nn2)C1 1550538125 CFRNDNXUAYWUOL-NSHDSACASA-N 273.344 0.731 0 50 CCAA O=C(Cc1cc(F)ccc1O)NCCN1CCCOCC1 952994034 OLSURFNBXHZRBE-UHFFFAOYSA-N 296.342 0.912 0 50 CCAA COC(=O)/C=C/C(=O)N1CCC[C@@H](n2ccnn2)CC1 1875389258 IARONZXAFDBPPV-SGUJLRQBSA-N 278.312 0.561 0 50 CCAA O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)[C@H]1C[C@@H]2CC[C@H](C1)C2=O 1875310571 UXLORWBBLJSUBD-PTOUEBRKSA-N 277.320 0.971 0 50 CCAA Cc1cnc(Cl)cc1C(=O)NS(=O)(=O)N(C)C 1875369144 TVCZJVVCDNODER-UHFFFAOYSA-N 277.733 0.580 0 50 CCAA CCNc1ccnc(CN2C[C@@H](O)[C@H](CC(=O)NC)C2)c1 1875399533 ZQAMKBDRXRIRHJ-BXUZGUMPSA-N 292.383 0.442 0 50 CCAA O=C1NC(=O)[C@@H](CCCNC(=O)OCc2ccccc2)N1 950756047 FPKSZXZIWPNJMG-LLVKDONJSA-N 291.307 0.901 0 50 CCAA Cc1cc(N)n(CC(=O)N2CC(N3CCCCC3)C2)n1 952987384 HGGQHUMFPBVWFP-UHFFFAOYSA-N 277.372 0.470 0 50 CCAA CCCCS(=O)(=O)N(C)Cc1nncn1CCOC 952981639 MYYXCKMCRVHMKH-UHFFFAOYSA-N 290.389 0.486 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(O)nc(C2CC2)n1 889187786 JFJXLMZJSTUKTF-GHMZBOCLSA-N 293.323 0.593 0 50 CCAA CC[C@@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cn1ccnn1 1565527184 OGQRFSFLKJFLFF-SPFNVWMYSA-N 250.302 0.208 0 50 CCAA Cc1cc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)no1 276855064 ZUDJVWKUBREKSW-GFCCVEGCSA-N 289.339 0.845 0 50 CCAA CN1CCO[C@@H](CNC(=O)C2Cc3ccccc3C2)C1 277290285 ULIGWAJWFYSILK-HNNXBMFYSA-N 274.364 0.848 0 50 CCAA C[C@@H](CN(C)C(=O)[C@]1(C(=O)O)CC1(C)C)C(=O)O 585095654 WZNAOHOKWFZRTH-MADCSZMMSA-N 257.286 0.666 0 50 CCAA c1csc(-n2cc(CCN3CCOCC3)nn2)n1 656440561 VAIJADXOVVJRBO-UHFFFAOYSA-N 265.342 0.599 0 50 CCAA CN(C)c1cc(N(C)CC2CCN(CCO)CC2)ncn1 1506406446 KPFMFYQWYNUSEG-UHFFFAOYSA-N 293.415 0.683 0 50 CCAA CCOCCC(=O)N(C)C[C@H]1CCN(CCOC)C1 1506403335 NWVLWSWVYOMNSZ-CYBMUJFWSA-N 272.389 0.840 0 50 CCAA Cn1ncnc1[C@H]1COCCN1Cc1nccs1 328908104 LYFGPMPUJGPEPJ-SECBINFHSA-N 265.342 0.845 0 50 CCAA CC(C)(C)C(=O)N=c1ccn(CCN2CCOCC2)[nH]1 330676669 ASYZXRYSWWUNDW-UHFFFAOYSA-N 280.372 0.622 0 50 CCAA CN(C)CC(=O)N1CCC[C@H](NCC(F)(F)F)C1 1615586834 SXEOJNMFVHIMFJ-VIFPVBQESA-N 267.295 0.691 0 50 CCAA CN1CC2(C1)CN(C(=O)c1cnc(-c3cccnc3)nc1)C2 1857674985 GMBNQIGBCGWCIK-UHFFFAOYSA-N 295.346 0.926 0 50 CCAA Cc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](F)C1 1857687124 NUTVZELCWSPTSW-ZWNOBZJWSA-N 277.299 0.886 0 50 CCAA CCc1ncc(CNC(=O)CN2CCCC[C@@H](O)C2=O)o1 644495919 XBPLEJXYPAJGHF-LLVKDONJSA-N 295.339 0.227 0 50 CCAA COC1CC(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)C1 910610570 JYZQLJOQUDEUSN-YQBKPAEJSA-N 297.351 0.940 0 50 CCAA CC(C)n1ccc(CC(=O)N2CC(S(C)(=O)=O)C2)n1 822084386 QSGNZMJZQSBZMH-UHFFFAOYSA-N 285.369 0.262 0 50 CCAA CCOCCNC(=O)C(=O)NC1CC2(CO[C@H](C)C2)C1 929330100 BRGUWSWOXZYHPA-CDWSIMAYSA-N 284.356 0.213 0 50 CCAA C[C@H]1CN=C(N2CCN(c3nc(C(=O)O)co3)CC2)S1 844209728 MGIIYHUYCJEMEG-QMMMGPOBSA-N 296.352 0.986 0 50 CCAA CC(C)c1nnc(CN(C)CCN2CCNCC2)s1 1875283866 GMOJDAMXELUUAR-UHFFFAOYSA-N 283.445 0.999 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)CCN1 237645496 LMXATVSIXFHXDC-JTQLQIEISA-N 276.340 0.289 0 50 CCAA OC[C@@H]1CCCN1C[C@H]1CCCN1C[C@@H](O)C(F)(F)F 253370478 RHFGWICGQBWPCV-GRYCIOLGSA-N 296.333 0.831 0 50 CCAA O=C(CCC(F)(F)F)N1CCc2c(nc[nH]c2=O)C1 72166526 MFRKRNUAUMBKED-UHFFFAOYSA-N 275.230 0.997 0 50 CCAA O=C(Cc1cccc(F)c1F)N1CCOC[C@H](CO)C1 77379083 LBRWAFVWFDMHHU-JTQLQIEISA-N 285.290 0.975 0 50 CCAA O=C(O)CN1CCC(NC(=O)[C@@H]2CCCCO2)CC1 426374302 PHSUQESCNGNFMC-NSHDSACASA-N 270.329 0.221 0 50 CCAA CC1(C)CC2(CC(C)(C)N1)OC(=O)N(CCO)[C@@]2(C)O 36890 QQPVOKKVHVTGHO-ZDUSSCGKSA-N 286.372 0.819 0 50 CCAA CCCN1Cc2nnc(-c3nccn3C)n2[C@@H](C)C1=O 2356146336 BNQUVOFWVHDGMM-VIFPVBQESA-N 274.328 0.992 0 50 CCAA COCCC[C@@]1(CO)CN(Cc2cncnc2)CC[C@H]1O 2356147677 IXURXCJJKLFREV-CABCVRRESA-N 295.383 0.449 0 50 CCAA CCCCn1c(=O)c2c(nc3[nH]c(C)cn32)n(C)c1=O 8710197 NLHDOUZGZCRXBC-UHFFFAOYSA-N 275.312 0.785 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)c1ccc2c(c1)CCO2 225904165 UVELDWQEMSQEED-UHFFFAOYSA-N 292.335 0.710 0 50 CCAA CO[C@H](CNC(=O)c1cc(C)cc(F)c1)C(=O)O 227263122 DUFCJFHJKBJVKM-SNVBAGLBSA-N 255.245 0.964 0 50 CCAA CC[C@@H](C)Nc1nc(OC)nc(Oc2ccc(=O)[nH]n2)n1 9459124 CEPLOYCYOYSIKO-SSDOTTSWSA-N 292.299 0.966 0 50 CCAA O=C(CCN1CCCCCCC1)NCCN1CCNC1=O 55401090 FCYYKIPJUQGEDV-UHFFFAOYSA-N 296.415 0.784 0 50 CCAA C[C@H]1CN(C[C@@H](O)CN[C@H](C)Cn2cccn2)C[C@H](C)O1 248003465 OMFURVZQMZMTDF-QPSCCSFWSA-N 296.415 0.331 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1Cc2ccccc2C1 67821805 XTHZDVDBFOSNCR-KBPBESRZSA-N 287.363 0.076 0 50 CCAA C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCO[C@H]2C)C[C@H]1C 249710601 YAECBHSINRZLAK-ZOBORPQBSA-N 284.400 0.715 0 50 CCAA Cn1c(=O)c2[nH]c(Nc3ccccc3)nc2n(C)c1=O 20113328 RXCJTNUAETXUOY-UHFFFAOYSA-N 271.280 0.704 0 50 CCAA biogenic O=C(O)C1=NN(c2ccc(C(=O)O)cc2)C(=O)CC1 22863591 INNQQCCOUAHVGD-UHFFFAOYSA-N 262.221 0.952 0 50 CCAA C[C@@H](C(=O)NCCN1C[C@H](C)C[C@@H](C)C1)n1cncn1 229376063 SVJLQVMVEHPQSJ-UPJWGTAASA-N 279.388 0.933 0 50 CCAA CC1CN(C(=O)Cn2c(=O)nc(O)c3ccccc32)C1 329475152 BCBUQTKBEHDLEF-UHFFFAOYSA-N 273.292 0.580 0 50 CCAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)[C@H](C)NC(N)=O 360707327 JGISBCCUALYWKI-VHSXEESVSA-N 279.344 0.747 0 50 CCAA CC(=O)N1CC(NC(=O)c2cccnc2N2CCCC2)C1 173029348 NTHCHCBZHDKDNK-UHFFFAOYSA-N 288.351 0.642 0 50 CCAA Cc1ocnc1C(=O)N[C@H]1CCCc2c1cnn2CCO 363390986 YCUVPLOVFOAGSN-NSHDSACASA-N 290.323 0.979 0 50 CCAA C[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)nc2)[C@@H]1CN 156972636 SJQODZLRMVMNHS-BXKDBHETSA-N 276.340 0.380 0 50 CCAA C[C@]1(C(=O)N[C@@H]2CCc3nnnn3CC2)C[C@H]1F 333367389 DXRNGOFIGJMNRN-XLDPMVHQSA-N 253.281 0.242 0 50 CCAA O=C1CC[C@H](C(=O)Nc2cnn(C[C@H]3CCCO3)c2)N1 128291576 BSBQBQCTTCREGT-GHMZBOCLSA-N 278.312 0.279 0 50 CCAA CCN1CCN(c2ncnc3[nH]cnc23)C[C@H]1c1ncc[nH]1 373634114 DLPIHTARAVJHCC-JTQLQIEISA-N 298.354 0.959 0 50 CCAA Cc1noc(CN2CCN(C(=O)[C@H]3CCC[C@@H]3N)CC2)n1 237689520 QUFZQXGOCIOBQS-RYUDHWBXSA-N 293.371 0.150 0 50 CCAA CC(C)(Cc1ccc(F)cc1)NC(=O)[C@H]1CNCC(=O)N1 71639563 FSZCHQZGQLGHMF-GFCCVEGCSA-N 293.342 0.351 0 50 CCAA COC(=O)c1ccc(C(=O)OC)c(NC(N)=S)c1 243833628 RAFNYXIEZJPJKY-UHFFFAOYSA-N 268.294 0.915 0 50 CCAA NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1 71775238 AMTKHXDCIQIQIF-UHFFFAOYSA-N 289.314 0.970 0 50 CCAA C[C@H](C(=O)O)N(C)C(=O)C1CCN(c2ncccn2)CC1 378177332 FITUMAQHXQMAAB-SNVBAGLBSA-N 292.339 0.625 0 50 CCAA O=C1NC2(CCNCC2)C(=O)N1CCCc1cccnc1 77487223 CELZFIHIWGVEDP-UHFFFAOYSA-N 288.351 0.688 0 50 CCAA CN1N=C(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCC1=O 245434296 CFUAOKIXXIQXCG-MNOVXSKESA-N 278.356 0.290 0 50 CCAA COC[C@@H](O)CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O 453034788 JOONNRRVQJQVOY-SEKJGCFDSA-N 267.325 0.415 0 50 CCAA CC[C@@H](CN1C(=O)NC2(CCNCC2)C1=O)n1cccn1 77321592 NEGRNNWYRNTRCU-NSHDSACASA-N 291.355 0.508 0 50 CCAA COc1cccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1OC 284635728 QNZRETAGEFFJRK-MWLCHTKSSA-N 292.335 0.897 0 50 CCAA COC[C@@H]1CN(C(=O)c2c[nH]c(C)n2)CC(C)(C)O1 285624516 WCSUOZYRVHGKSU-JTQLQIEISA-N 267.329 0.984 0 50 CCAA CC(=O)c1cccc(C(=O)NC[C@@H]2CN(C)CCN2C)c1 221250108 KNJSKRJLRZMVMP-OAHLLOKOSA-N 289.379 0.865 0 50 CCAA O=C1NCCN1C1CN(c2ncc(Br)cn2)C1 289210662 VVXWRJXYPYEBQH-UHFFFAOYSA-N 298.144 0.453 0 50 CCAA CCOC(=O)[C@@H](C)Oc1ccc(-n2cnnn2)cc1 220948580 XPLNSCSCLBTDIU-SECBINFHSA-N 262.269 0.993 0 50 CCAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)NCc1ncc[nH]1 426477265 SNKWSFIYMJFNGJ-LLVKDONJSA-N 293.371 0.952 0 50 CCAA Cc1cc(C(=O)NCCc2ncnn2C)c(=O)n(C)c1C 426503110 UXARGVBVHMCAOG-UHFFFAOYSA-N 289.339 0.103 0 50 CCAA CC(C)N=c1cc([C@H]2CCOC2)[nH]c(=NCCO)[nH]1 426563034 AGHZRDUGJTZAMU-JTQLQIEISA-N 266.345 0.049 0 50 CCAA O=C(NCc1ccoc1)c1cc2ncc(CCO)cn2n1 426407485 FMESPELCQKQSCG-UHFFFAOYSA-N 286.291 0.787 0 50 CCAA CC[C@@H](O)Cn1ncnc1CCc1n[nH]c(C)n1 92003654 AYZTUTNELPUYFO-SECBINFHSA-N 250.306 0.261 0 50 CCAA Cn1cncc1C(=O)NC1CCN(C2CCOCC2)CC1 426438664 LXGRXIVFHJZYCS-UHFFFAOYSA-N 292.383 0.793 0 50 CCAA O=C(C1CCN(Cc2ccco2)CC1)N1C[C@@H](O)CO1 91769830 RJDDPYJMVONDOD-GFCCVEGCSA-N 280.324 0.626 0 50 CCAA Cc1noc(C)c1NC(=O)N1CCS(=O)(=O)CC1 96180561 DWYDNFJEQOOXGM-UHFFFAOYSA-N 273.314 0.554 0 50 CCAA Cc1ccc([C@@H](C(=O)NC(C)(C)C(N)=O)N(C)C)cc1 91794516 RSARDLDJUCPXHB-LBPRGKRZSA-N 277.368 0.978 0 50 CCAA COC(=O)Nn1cc(C(=O)OC)c2nnc(O)c-2c1 524734772 LRCRQZZZBAHURR-UHFFFAOYSA-N 266.213 0.185 0 50 CCAA COC(=O)c1cn(NC(=O)CC(C)C)cc2c(O)nnc1-2 524732567 BHVDUCCPTWDLHP-UHFFFAOYSA-N 292.295 0.991 0 50 CCAA Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[C@H]3N)CCO2)cn1 299738566 CGJGMTLYQSODKN-UPJWGTAASA-N 278.356 0.447 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)CCOC[C@@H]2CCCO2)C1 299743930 QATBIGBONPGQNC-MNOVXSKESA-N 271.313 0.505 0 50 CCAA COCc1noc(CNC(=O)[C@]2(C)CCCCO2)n1 534591649 GCVLQUINRYGUCW-LBPRGKRZSA-N 269.301 0.791 0 50 CCAA CC(=O)NCCNC(=O)N[C@@H](C)c1cccc(C)n1 534591513 OCUKFUHMYGYTAX-JTQLQIEISA-N 264.329 0.886 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1cnc(N)s1 534651117 KDFQCEUNXXFCIV-BQBZGAKWSA-N 257.315 0.259 0 50 CCAA O=C(C[C@H]1CNCCO1)N1CCC(Cn2ccnc2)CC1 534655180 SKCAYKMRVCYIQJ-AWEZNQCLSA-N 292.383 0.500 0 50 CCAA CCc1c(C)nc(C)nc1NC[C@H](O)CN(C)C 534660504 AAPBLOZFHPIVEF-NSHDSACASA-N 252.362 0.990 0 50 CCAA CC(C)n1cnnc1CCNC(=O)CCc1cnn(C)c1 299765597 BWPLGNXQFRMSKV-UHFFFAOYSA-N 290.371 0.884 0 50 CCAA CN(Cc1c[nH]nc1C(=O)O)C[C@@H]1CCCN(CCO)C1 828760512 ZWZNKWWQURCMAA-NSHDSACASA-N 296.371 0.244 0 50 CCAA Cn1c(O)nnc1CCNC(=O)[C@@H]1CCc2ccccc21 670458595 FVMGZOQWQAJXRL-GFCCVEGCSA-N 286.335 0.909 0 50 CCAA NCCC1(O)CCN(C(=O)COc2ccc(F)cc2)CC1 1875269994 SXUJLKZDSUXELI-UHFFFAOYSA-N 296.342 0.907 0 50 CCAA Cc1ccc(C(=O)NCC(=O)NCc2cn(C)cn2)cc1 1875271864 KBKXLRYXUDBXFI-UHFFFAOYSA-N 286.335 0.775 0 50 CCAA O[C@@]1(C2CC2)CCN(c2nnnn2C2CCOCC2)C1 1875271226 IGYNOIDAKSRZMP-ZDUSSCGKSA-N 279.344 0.376 0 50 CCAA CN(C)c1noc(C2CN(C(=O)c3ncc[nH]3)C2)n1 1875330353 OKGIGFKRHMYJDK-UHFFFAOYSA-N 262.273 0.098 0 50 CCAA C[C@H](N)C(=O)N1Cc2cccnc2N2CCC[C@H]2C1 877266810 UABTUAMCVUYRGD-JQWIXIFHSA-N 260.341 0.740 0 50 CCAA Cc1c(C(=O)N2C[C@@H](O)[C@H](F)C2)cnc2ccnn12 952985289 GGEBKFSXGNKUQT-NXEZZACHSA-N 264.260 0.193 0 50 CCAA CC(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C 888099022 OSPWADNLQHASKS-GHMZBOCLSA-N 266.345 0.356 0 50 CCAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CC[C@@]2(CCOC2)C1 246226213 HGNMJLQALQEHHA-RLPMIEJPSA-N 264.369 0.999 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)N[C@H](C)C1 246665407 DUELELRPMFBHOT-JFGNBEQYSA-N 253.346 0.206 0 50 CCAA Cc1c(C(=O)N[C@H]2C[C@@H](O)C2)nnn1-c1ccc(F)cc1 1775986519 HVORTIAVCUZWSB-KLPPZKSPSA-N 290.298 0.968 0 50 CCAA COC(=O)c1cccc(C(=O)N[C@@H]2CCC(=O)NC2=O)c1 269401151 CHPHBHVBUQZBOS-SNVBAGLBSA-N 290.275 0.008 0 50 CCAA CN1C(=O)CN(CC(=O)Nc2cccc(Cl)c2)CC1=O 170599865 YNIMUBXEPPETIS-UHFFFAOYSA-N 295.726 0.579 0 50 CCAA CCc1ccccc1S(=O)(=O)NC[C@H]1COCO1 583651424 LLADTWCIDYHSIS-NSHDSACASA-N 271.338 0.900 0 50 CCAA CCCn1cc(C(=O)Nc2cc(C(N)=O)[nH]n2)cn1 679811109 OZIFDNGPZLWAQG-UHFFFAOYSA-N 262.273 0.367 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1n[nH]cc1C 643763496 BLBQAWDQDLXOPO-GFCCVEGCSA-N 252.318 0.184 0 50 CCAA CS[C@@H](CO)[C@@H](C)NC(=O)c1[nH]c(C)nc1C 598691753 WHEAYKLRYPEMSB-MUWHJKNJSA-N 257.359 0.869 0 50 CCAA C[C@]1(O)C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 668352440 OCVSOEQPRZZOCD-SWZMTVOYSA-N 299.348 0.650 0 50 CCAA Cc1nc(C)n(CC(=O)Nc2cn(C(C)C)nn2)n1 1875251061 UOCQAXCJWJXJMD-UHFFFAOYSA-N 263.305 0.706 0 50 CCAA Cn1cncc1CN(CCO)C(=O)C[C@H]1CCCOC1 1704313837 KKEUDZVDKYAGSH-GFCCVEGCSA-N 281.356 0.558 0 50 CCAA CCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2cncc(F)c2)C1 229310908 FKOPLBWSAGAWTA-SKDRFNHKSA-N 287.360 0.839 0 50 CCAA O=C(O)CNC(=O)Cn1ccc(C(F)(F)F)cc1=O 644284510 XJXAZXVVIDQNIY-UHFFFAOYSA-N 278.186 0.068 0 50 CCAA CSC1(CN2CCN(CC(=O)N(C)C)CC2)CCC1 589495382 URHJUIDDKIBVIG-UHFFFAOYSA-N 285.457 0.978 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)CCc1ccncc1 1616064648 SZZBGKVPQOVTNC-STQMWFEESA-N 273.336 0.951 0 50 CCAA N[C@H]1CC[C@H](NS(=O)(=O)N2CCc3ccccc3C2)C1 214904236 BDVJZXJNARVDEI-KBPBESRZSA-N 295.408 0.759 0 50 CCAA Cc1ncc2c(c1-c1noc(Cn3cncn3)n1)CCNC2 19836434 NERFUADVWQEYAR-UHFFFAOYSA-N 297.322 0.726 0 50 CCAA C[C@@H](NC(=O)C1(O)CCCC1)c1nn(C)cc1O 1640031054 RPDXQWNMEHONSG-MRVPVSSYSA-N 253.302 0.608 0 50 CCAA CC[C@]12COC(=O)N1CCN(c1cc(OC)nc(=N)[nH]1)C2 1857701720 ZDIPZTHMDJXZND-ZDUSSCGKSA-N 293.327 0.319 0 50 CCAA O=C(CN1CC[C@@H](CO)[C@@H](O)C1)Nc1ccccc1 517476565 GPAFZPHLPGDJPN-AAEUAGOBSA-N 264.325 0.300 0 50 CCAA O=C([C@@H]1OC[C@@H]2COCC[C@@H]21)N1CCOC[C@]12CCOC2 329685706 BEDKLAAKONBZCN-RMRHIDDWSA-N 297.351 0.056 0 50 CCAA O=C(O)[C@H]1CCN(CCCn2ccnc2)C[C@H]1O 1704328536 KRNPAZVEGXLWCH-WDEREUQCSA-N 253.302 0.041 0 50 CCAA COCCn1nnnc1NC(=O)C1CC(F)(F)C1 906296723 BRLNLWCNCCUIOF-UHFFFAOYSA-N 261.232 0.303 0 50 CCAA Cc1ccc(OCC(=O)N[C@@H]2CCOC[C@H]2O)cc1C 219904597 MOJYCOOIJVJAIK-ZIAGYGMSSA-N 279.336 0.948 0 50 CCAA COc1ncccc1C(=O)N[C@H]1CC[C@@H](CO)C1 295551872 UCTLQBBCXKTDJS-ZJUUUORDSA-N 250.298 0.981 0 50 CCAA CO[C@@H]1CN[C@@H](C(=O)N(C)CCCn2ccnc2)C1 364216450 SICBWFRXDJOJGJ-NWDGAFQWSA-N 266.345 0.109 0 50 CCAA Cc1ncc(CN2C(=O)[C@H]3CCCCN3S2(=O)=O)o1 2325772815 OOJSNIOXOXVVCH-SNVBAGLBSA-N 285.325 0.425 0 50 CCAA CN1C(=O)CC[C@H]1CNC(=O)C[C@H]1CCCNC(=O)C1 2325789993 ASCGETDRDMCBAR-QWRGUYRKSA-N 281.356 0.030 0 50 CCAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)c2cnncc2O)C1 2325869934 CCEMPFBVLIJIQF-HTQZYQBOSA-N 265.269 0.365 0 50 CCAA C[C@H]1C[C@@H](C(=O)O)CN(C(=O)c2cnncc2O)C1 2325869935 CCEMPFBVLIJIQF-JGVFFNPUSA-N 265.269 0.365 0 50 CCAA COc1cccc([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)c1 71313 BZSINIQFTIAKJM-GFCCVEGCSA-N 285.307 0.714 0 50 CCAA CCOC(=O)C(=C1NCCN1)[C@H]1OC(=O)c2ccccc21 398521 RYTVTWDGACMKEQ-LBPRGKRZSA-N 288.303 0.866 0 50 CCAA COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 806905 LVXHSXOLPPPVMH-UHFFFAOYSA-N 298.364 0.581 0 50 CCAA CCOC(=O)C(=O)Nc1nnc(SCCOC)s1 2865465 YBDHVSYSSYPIOR-UHFFFAOYSA-N 291.354 0.778 0 50 CCAA COC(=O)c1cccc(CN2C[C@H]3COC[C@@]3(CO)C2)c1 2356158130 XUDNBKVYMOBVQX-HOCLYGCPSA-N 291.347 0.914 0 50 CCAA O=C(N[C@H]1CCO[C@@H](C2CC2)C1)[C@H]1C[C@H]1C(=O)O 249636137 WPIBMGVOGLDIHO-UKKRHICBSA-N 253.298 0.781 0 50 CCAA Cc1nc(SCC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)n[nH]1 1074601476 HGRGEXZSRIQHEU-DJLDLDEBSA-N 268.342 0.499 0 50 CCAA CNC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 65364907 QFCHRCYGLNQBNZ-UHFFFAOYSA-N 256.327 0.750 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@H]2CCO[C@H]21 1074600653 FREYAHWBPWOFKB-UVLXDEKHSA-N 291.351 0.873 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H](CO)[C@H](O)C(F)(F)C1 307559700 VPLQVCYHEZXTMT-YUMQZZPRSA-N 267.272 0.842 0 50 CCAA COc1ccccc1C(=O)NCCN1CCOCC1 20149512 ZZZZVNLQWWXZTQ-UHFFFAOYSA-N 264.325 0.757 0 50 CCAA N[C@@H]1CC[C@@H](NC(=O)c2sccc2S(N)(=O)=O)C1 67743685 WWPXRZFPTMOYAO-RNFRBKRXSA-N 289.382 0.005 0 50 CCAA CCc1c(C)nn(CC(=O)N[C@@H]2CCN(C)C2=O)c1C 219902114 CJUHQZVWEYARGC-GFCCVEGCSA-N 278.356 0.409 0 50 CCAA Cc1nc(CCN(C)C(=O)[C@H]2CC(=O)N(C(C)C)C2)no1 77340624 PXFSJSWQVYDVCT-NSHDSACASA-N 294.355 0.636 0 50 CCAA COCCN1CN(C(=O)CC(C)(C)OC)CC1=O 330434162 LCMCEHDVPFECJT-UHFFFAOYSA-N 258.318 0.076 0 50 CCAA O=C(Cn1nc(-c2ccco2)ccc1=O)NC1CC1 38790784 RLIPTSWKNKRYBI-UHFFFAOYSA-N 259.265 0.782 0 50 CCAA CN1CCO[C@@H]2CN(c3ncnc4[nH]ccc34)C[C@@H]21 329926708 WKBDMFLPSBEZIG-WDEREUQCSA-N 259.313 0.477 0 50 CCAA C[C@@H](N)[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1 156436502 RBQAHGOIYKURDD-VXGBXAGGSA-N 267.373 0.585 0 50 CCAA COc1ncc(CN2CCO[C@@H](CN(C)C)C2)c(C)n1 369196686 YWPJZMXYCOAQGI-ZDUSSCGKSA-N 280.372 0.556 0 50 CCAA CC(C)(C)n1cc(C(=O)N2CCOC[C@H]2C(=O)O)cn1 262547521 TXYTZKSMUTXUON-JTQLQIEISA-N 281.312 0.564 0 50 CCAA Cc1nnsc1C(=O)N1CCOC[C@H]1CC(=O)O 128283905 VTQIVFISKQMLSX-SSDOTTSWSA-N 271.298 0.162 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)N[C@H]1CCCN[C@H]1C 333638765 BVYFAIUXPOUDDW-WPRPVWTQSA-N 272.374 0.147 0 50 CCAA C[C@H](O)CN1CCC(CN(C)[C@H]2C[C@H](C)OC2=O)CC1 241231212 KTBQGCVYESCOQX-OBJOEFQTSA-N 284.400 0.715 0 50 CCAA CCc1ccnc(C(=O)N2CC[C@@](O)(c3c[nH]nn3)C2)c1 284473173 ALNDFLSRRWVASN-AWEZNQCLSA-N 287.323 0.496 0 50 CCAA O=C(c1c[nH]c(=O)[nH]c1=O)N1C[C@H]2C3CCC(CC3)[C@H]2C1 71747347 BVZCVYSPKVZYQB-OUCWNPGHSA-N 289.335 0.571 0 50 CCAA CN(C[C@H]1CCCN(c2ncccn2)C1)S(C)(=O)=O 286614712 QOFPAXUWLYXSJN-LLVKDONJSA-N 284.385 0.584 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)Cc2cc(F)ccc2F)C1 284991125 YBXKLIORTGISCS-JQWIXIFHSA-N 298.289 0.609 0 50 CCAA CCNc1ncc(C(=O)NCCCN2CCOCC2)cn1 82156665 IPZMGZQOXRUJNT-UHFFFAOYSA-N 293.371 0.361 0 50 CCAA Nc1nnc(CCCNC(=O)c2cc(C3CC3)[nH]n2)s1 426544851 OUISYOGOJXIQCK-UHFFFAOYSA-N 292.368 1.083 0 50 CCAA O=C(NCc1ccc2c(c1)CCC2)[C@H]1C[C@@H](O)CN1 299753118 WWVXUHVHNKIMBG-ZIAGYGMSSA-N 260.337 0.514 0 50 CCAA CN(CC(=O)Nc1ccn(C)n1)CC1(C)COC1 252494890 OHLPXKHBXRPXNV-UHFFFAOYSA-N 252.318 0.327 0 50 CCAA Cc1nnc(CN2CCc3c(c(C(=O)O)nn3C)C2)s1 534634304 AVUUQCYRXINIAM-UHFFFAOYSA-N 293.352 0.837 0 50 CCAA C[C@@H](CCNc1ncccc1C(N)=O)N1CCN(C)CC1 534583107 VBJAPPLFQAABFC-LBPRGKRZSA-N 291.399 0.618 0 50 CCAA CC(C)C(=O)N1CCC(NC(=O)c2cnc[nH]2)CC1 299784049 YLOXJARKFQKMOH-UHFFFAOYSA-N 264.329 0.787 0 50 CCAA Cc1c[nH]c(CN2C[C@@H](c3c[nH]nn3)[C@@H](CC(=O)O)C2)n1 299776061 MVVHWHUKIGJEFB-VHSXEESVSA-N 290.327 0.527 0 50 CCAA CCOCCC(=O)N1CCN([C@H]2CN3CCC2CC3)CC1 584894045 OKVUOJXIQIUPNK-HNNXBMFYSA-N 295.427 0.651 0 50 CCAA COC(=O)c1cc(O)cc(C(=O)N2C[C@H](O)[C@@H](OC)C2)c1 584894035 IWXVTBNYTOKGJP-RYUDHWBXSA-N 295.291 0.011 0 50 CCAA CNc1ncccc1C(=O)N1CCN2C(=O)OC[C@@H]2C1 584884483 PIRHEEAYWKQUNM-VIFPVBQESA-N 276.296 0.400 0 50 CCAA CN1CCC[C@@H]1CCn1cnc2nccnc2c1=O 584892350 KNGITKRNOVQUMO-SNVBAGLBSA-N 259.313 0.671 0 50 CCAA CN(C)S(=O)(=O)CCCN1CCc2nocc2C1 670459278 YHERUXNUSPQQEX-UHFFFAOYSA-N 273.358 0.314 0 50 CCAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)Cn1ccccc1=O)C2 670472352 HKAASUNTCJSOJR-KBPBESRZSA-N 289.379 0.791 0 50 CCAA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1CCN 1875269026 XBXLOVQJVRBLOX-NSHDSACASA-N 265.361 0.597 0 50 CCAA C=CC(=O)N1CC(C(=O)NC/C=C(\C)c2cnn(C)c2)C1 1875387366 DTFGACZNPKWTIP-VZUCSPMQSA-N 288.351 0.584 0 50 CCAA CCCCc1ncc(CNCc2nc(O)n[nH]2)[nH]1 952967623 BFCDNCOPPCWULB-UHFFFAOYSA-N 250.306 0.866 0 50 CCAA CC(C)c1cc(C(=O)NCCn2ccnn2)nc(N)n1 952978785 FKTRNQAXIOHWHJ-UHFFFAOYSA-N 275.316 0.204 0 50 CCAA CO[C@@H]1CN(Cc2c(C)n[nH]c2C)C[C@H]1c1cn(C)nn1 886093713 DKJKLFXERWBANF-GXTWGEPZSA-N 290.371 0.769 0 50 CCAA CCc1occc1C(=O)NS(=O)(=O)[C@H]1CCOC1 408486072 ITRXNXYRCLEPFK-QMMMGPOBSA-N 273.310 0.691 0 50 CCAA O=C(O)CN1C(=O)C(=O)N(C2CCCCC2)C1=O 408513608 LVEKSFKMUYJZLZ-UHFFFAOYSA-N 254.242 0.195 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cccnc2OC)[C@H]2CCO[C@H]21 1565510891 XQFPPZWHJZGDJZ-LPTSXCQYSA-N 292.335 0.870 0 50 CCAA CNS(=O)(=O)N[C@H](C(=O)O)c1cccc(C)c1 899574886 BYIPWJWAFQSZKL-VIFPVBQESA-N 258.299 0.175 0 50 CCAA CCOc1nnc(CN2CCO[C@H](COC)C2)s1 170639801 OBNNOVMSFCLBJA-VIFPVBQESA-N 273.358 0.784 0 50 CCAA COC[C@H](C)C(=O)NS(=O)(=O)c1sc(C)nc1C 170650524 JATGGFYOHMGHOY-LURJTMIESA-N 292.382 0.847 0 50 CCAA CN1CC(=O)N(CCN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)C1=O 585094376 UEJFHHZDQYQAMX-NEPJUHHUSA-N 297.399 0.609 0 50 CCAA Cc1cc(N2CCC[C@@](O)(CN(C)C)C2)nc(C)n1 585092049 CJCSIVMIIHQAQJ-CQSZACIVSA-N 264.373 0.986 0 50 CCAA CCCCCOCC(=O)NCc1nnc(O)n1C 585126082 OAMZSJCKWJCLIU-UHFFFAOYSA-N 256.306 0.344 0 50 CCAA CSc1nn(Cc2nc(C(C)C)no2)c(=O)[nH]1 194583101 UYLZLHNTXCKNNX-UHFFFAOYSA-N 255.303 0.848 0 50 CCAA COC(=O)/C=C(/Nc1ccccc1C(N)=O)C(=O)OC 197478722 IIGLILDOMIOXKO-JXMROGBWSA-N 278.264 0.427 0 50 CCAA CC(C)(C)n1cc(B(O)OC(C)(C)C(C)(C)O)cn1 200335668 MRJUIRYRXXLOAA-UHFFFAOYSA-N 268.166 0.892 0 50 CCAA Cn1c(O)nnc1CCN[C@H]1CCN(c2ccccc2)C1 1506410384 TVCNDEOJQXODKJ-LBPRGKRZSA-N 287.367 0.932 0 50 CCAA COc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)nn1C 302343464 VCWXCUFDORSYCD-QMMMGPOBSA-N 267.285 0.366 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3nnc(C)s3)C[C@@H]2O)n[nH]1 1704298108 FHIPCQTVNQZUQX-PWSUYJOCSA-N 293.396 0.913 0 50 CCAA COCc1nc(C)cc(N2CCn3nc(C)nc3C2)n1 330054144 RMZBFSHULDMXDX-UHFFFAOYSA-N 274.328 0.852 0 50 CCAA C[C@@H](NC(=O)C1(S(C)(=O)=O)CCC1)c1cnn(C)c1 331912772 CVBYFKIACGZHMP-SECBINFHSA-N 285.369 0.565 0 50 CCAA NC(=O)N1CCC[C@H]1C(=O)NCc1[nH]nc2ncccc12 1772811212 UNCQKPOAPQLVFQ-JTQLQIEISA-N 288.311 0.117 0 50 CCAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cccc(N)n1)C2 1857681376 BSJFUEMGQZELSQ-CQSZACIVSA-N 290.323 0.721 0 50 CCAA CC(C)c1ccccc1C(=O)NCCS(N)(=O)=O 1647585039 FJLCPVJOROBHQB-UHFFFAOYSA-N 270.354 0.828 0 50 CCAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C1(n2cccn2)CC1 829808439 CQTRDPXGLLKIEV-NEPJUHHUSA-N 288.351 0.594 0 50 CCAA COCC(=O)N1CCN(CCc2cccc(C)n2)CC1 567264681 IUHMPVKJIQLQIM-UHFFFAOYSA-N 277.368 0.723 0 50 CCAA COCc1nc(CN2CCO[C@H](C3CC3)C2)no1 363778478 YIZCEJRXJYWCMY-JTQLQIEISA-N 253.302 0.827 0 50 CCAA CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](N)C2)cc1 382421947 CCYNHFAOPHHFHZ-GHMZBOCLSA-N 297.380 0.204 0 50 CCAA C[C@H]1CN(C2CC2)CCN1C(=O)CCCn1cncn1 2100534544 NDKRJUGXTYUACR-LBPRGKRZSA-N 277.372 0.753 0 50 CCAA C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1ccccc1C(=O)O 864500565 BRVIPJDSBPOOOO-SKDRFNHKSA-N 299.348 0.982 0 50 CCAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 57239 VVKAGQHUUDRPOI-NEPJUHHUSA-N 279.292 0.931 0 50 CCAA COc1ccc(C)cc1N(CC(=O)O)S(C)(=O)=O 379311 GMRVOGGLRJKCGD-UHFFFAOYSA-N 273.310 0.854 0 50 CCAA O=C(NC[C@H]1CCNC1)[C@@H]1CCCN1C(=O)C1CCCC1 342732631 KNPZVLXHRQYQAF-JSGCOSHPSA-N 293.411 0.893 0 50 CCAA CNC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 6179060 RWTLBEOLNUXMOL-UHFFFAOYSA-N 272.326 0.207 0 50 CCAA CCc1ccc(CNC(=O)N[C@@H]2CNC(=O)C2)s1 225682409 IBXYHLVFKPVXAW-QMMMGPOBSA-N 267.354 0.998 0 50 CCAA CS(=O)(=O)NCc1ccc(-n2ccnc2)cc1 20489855 HHSLXYQBQIYRLU-UHFFFAOYSA-N 251.311 0.922 0 50 CCAA C[C@@H]1CNC(=O)CCN1Cc1ccc2nonc2c1 65405505 HMSDQTVMUVDWDN-SECBINFHSA-N 260.297 0.933 0 50 CCAA CN1C(=O)C[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1=O 435730 BJXWKDYLCKBAMS-HNNXBMFYSA-N 272.304 0.794 0 50 CCAA Nc1ccc(Br)cc1C(=O)NCc1nnn[nH]1 123942179 HAXPNISAPIKGMB-UHFFFAOYSA-N 297.116 0.474 0 50 CCAA CC(C)COC[C@@H](O)CN1CCS(=O)(=O)C(C)(C)C1 154643993 AJAIOCVKOJUHKT-LBPRGKRZSA-N 293.429 0.529 0 50 CCAA O=S1(=O)C[C@@H](O)[C@H](Nc2ncnc3sccc23)C1 670446587 QVKRIZVCYAKBNN-HTQZYQBOSA-N 285.350 0.261 0 50 CCAA NC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 34348960 ASBYJKDHSKXTPZ-LLVKDONJSA-N 254.240 0.403 0 50 CCAA CO[C@H]1CN(Cc2nnc3n2CCCCC3)C[C@H]1OC 372851905 KOVGNVKKAGSZAG-TXEJJXNPSA-N 280.372 0.850 0 50 CCAA CC(C)n1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)cn1 72161842 XBUXXNYBMHFTFE-NSHDSACASA-N 281.312 0.780 0 50 CCAA CC(C)c1cc(NC(CO)CO)n2nccc2n1 72407047 ACDBBRGJCQIOEX-UHFFFAOYSA-N 250.302 0.618 0 50 CCAA O=C1COc2cc(NC(=O)[C@H]3CC(F)(F)CN3)ccc2N1 263066473 VZBQFEULCWKEBB-SECBINFHSA-N 297.261 0.953 0 50 CCAA CC[C@@H](C)N1CCN(C(=O)CC[C@@H]2CCC(=O)N2)CC1 333961548 LZTMXUFFINNMIG-OLZOCXBDSA-N 281.400 0.988 0 50 CCAA COCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)s2)C1 340955096 MYNCJEOIZXLXKP-SECBINFHSA-N 297.380 0.298 0 50 CCAA CC[C@@H](C(=O)N1CC[C@H](C(=O)O)C1)N1CCCC1=O 178261367 WPCRCAAMBFQVAO-UWVGGRQHSA-N 268.313 0.321 0 50 CCAA O=C1C[C@H](C(=O)NCCc2cnn[nH]2)c2ccccc2N1 426389534 XQWONAXVYNQCLK-NSHDSACASA-N 285.307 0.589 0 50 CCAA COc1ccnc(C(=O)NCCSc2nnnn2C)c1 220454986 UCLKMXSXLUAQMK-UHFFFAOYSA-N 294.340 0.136 0 50 CCAA CN(C)c1ncccc1C(=O)N[C@@H]1CCNC(=O)CC1 616360624 VKZRMBWTKVEHFC-JTQLQIEISA-N 276.340 0.546 0 50 CCAA NC(=O)[C@H]1CCN(c2ncc(C(=O)O)cc2Cl)C1 236285767 IRDZLULCAVQKTQ-LURJTMIESA-N 269.688 0.745 0 50 CCAA CNC(=O)NC(=O)CN1Cc2ccccc2O[C@@H](C)C1 292349985 HJOYBWFDSNNGPY-JTQLQIEISA-N 277.324 0.725 0 50 CCAA O=C1COc2ccccc2N1CCCn1cnnn1 95500114 IRAVWUSXGIKISI-UHFFFAOYSA-N 259.269 0.489 0 50 CCAA CCCc1cc(C(=O)NC[C@@H](C)C(=O)O)n(C)n1 95381907 BLOKQNLATKBSSO-MRVPVSSYSA-N 253.302 0.823 0 50 CCAA C[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@@H]1F 621946141 IXEDRPWDCHZKPR-SFYZADRCSA-N 253.277 0.934 0 50 CCAA O=C(C1CCN(CC[C@@H]2CCOC2)CC1)N1CCOCC1 437584103 YZZJGOLFKDUNBH-CQSZACIVSA-N 296.411 0.984 0 50 CCAA O=C1[C@@H]2[C@H]3[C@H]4[C@@H]5[C@@H]([C@@H]2[C@]35C(=O)O)[C@]14Br 257358098 RPWPSPXUMDXFEM-OXXHMFRGSA-N 255.067 0.525 0 50 CCAA O=C(NC1CC1)[C@H](O)C1CCN(c2ncc(F)cn2)CC1 299745868 SZZHCGUAWFCPIR-GFCCVEGCSA-N 294.330 0.472 0 50 CCAA O=C(CCCN1CCOCC1)NCC[C@@H]1CCOC1 534577747 VEWZOBVLGYBACZ-CYBMUJFWSA-N 270.373 0.642 0 50 CCAA CN(C)C(=O)NCC(=O)NCCCn1cc(Cl)cn1 299764295 TURAOGUODOLIGU-UHFFFAOYSA-N 287.751 0.314 0 50 CCAA CN(C)C(=O)[C@@H]1CN(Cc2nnc(C3CC3)o2)CCO1 827789411 FLBFHNYZSCUJIE-JTQLQIEISA-N 280.328 0.236 0 50 CCAA Cc1nc(NCC[C@H](O)CO)nc2c1CCCC2 584901898 JBKBEAXZRYXXIM-JTQLQIEISA-N 251.330 0.819 0 50 CCAA CC1(C)CNC(=O)[C@H]1OC(=O)CN1CCCCCCC1=O 585136027 MWGQUMBBMTYFLK-CYBMUJFWSA-N 296.367 0.847 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)C[C@@H](C)O1 239174572 QGEBSPUADLHOLP-ZKSVUJDCSA-N 283.324 0.500 0 50 CCAA COCCNS(=O)(=O)c1cc(C)ccc1OC 1803052 QXOGWTCCNYBYCN-UHFFFAOYSA-N 259.327 0.928 0 50 CCAA COC(=O)/C=C/CNC(=O)c1nnn([C@H]2CCOC2)c1C 1875333437 UWMGWVLUJQJXGY-FSIBCCDJSA-N 294.311 0.007 0 50 CCAA CC[C@H](C[C@H](C)O)NC(=O)c1ncn(-c2ncccn2)n1 1875344602 MRYZNGDLYZNDEM-VHSXEESVSA-N 290.327 0.337 0 50 CCAA O=C(N[C@@H]1CCc2ccccc21)[C@H](O)CN[C@@H]1CCOC1 1875308810 YRNNQFQDVPCZIA-BPLDGKMQSA-N 290.363 0.530 0 50 CCAA CO[C@@]1(CNC(=O)c2cnn3ccncc23)CCCOC1 1875307077 JTJYSJCZPGTXNU-CQSZACIVSA-N 290.323 0.655 0 50 CCAA O=C(N1C[C@@H](O)[C@H](F)C1)C1(N2CCCC2)CCCC1 952980373 JPKKQVGFHKKGSA-VXGBXAGGSA-N 270.348 0.936 0 50 CCAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)C1(F)CCC1 888095022 PHIGDVIZERWLJZ-NXEZZACHSA-N 257.305 0.925 0 50 CCAA NC[C@H]1CCCN1C(=O)N[C@H]1CCCc2c[nH]nc21 891692197 WUZIEDNGMYTONA-MNOVXSKESA-N 263.345 0.920 0 50 CCAA CCOCC(=O)N1CCC[C@H]1CNC(=O)c1ccns1 1529302670 FOXDDODHPVWBFV-JTQLQIEISA-N 297.380 0.900 0 50 CCAA C[C@H](O)C(=O)NCc1c(C(=O)O)[nH]c2ccccc12 1776003368 LKZUKFMABWHMPF-ZETCQYMHSA-N 262.265 0.863 0 50 CCAA CC(C)C[C@H]1COCCN1c1ccc2nnnn2n1 301514525 FZYOCTWDNXVHBI-JTQLQIEISA-N 262.317 0.771 0 50 CCAA NC(=O)c1ccc(NC(=O)CN2C[C@H]3CCN[C@H]3C2)cc1 1565509375 UHCXVJGNIWBLMQ-YPMHNXCESA-N 288.351 0.018 0 50 CCAA OC[C@@H]1C[C@H](F)CN1c1cc(N2CCOCC2)ncn1 408034683 URSHHCYCHITHTI-QWRGUYRKSA-N 282.319 0.222 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)CC[C@@H]2CCCO2)C1 630252737 OPLMXEHPEPWZPM-GXFFZTMASA-N 271.313 0.648 0 50 CCAA CCOC1CC(O)(CNC(=O)Cc2cncs2)C1 277589193 DCXNIVCILJGBMI-UHFFFAOYSA-N 270.354 0.732 0 50 CCAA C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2c[nH]cn2)C1 170608444 GYPWRMKTCVASGZ-GHMZBOCLSA-N 286.401 0.808 0 50 CCAA Cn1ncc(CN2CCOC[C@H]2C(=O)O)c1C(F)(F)F 579721764 CBMDRHOTJCFMCI-QMMMGPOBSA-N 293.245 0.724 0 50 CCAA Cc1cnc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1 190041978 WJVWEUBDOIKUQG-WCQYABFASA-N 287.323 0.779 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(Cc2cccc3c2OCO3)C1 643745895 YHDDXPXHWLHJNC-HNNXBMFYSA-N 292.335 0.618 0 50 CCAA C[C@@H]1Cc2cnccc2N1C(=O)CN(C)S(C)(=O)=O 585086589 LVFRVXDXWSHZGZ-SECBINFHSA-N 283.353 0.251 0 50 CCAA CCc1ncncc1C(=O)N[C@@H]1CCN(C)C(=O)C1 684487548 SFNCCAVPYJIXBM-SECBINFHSA-N 262.313 0.390 0 50 CCAA Cc1nc(CC(=O)N2CC(C)(C)[C@@H]2c2nccn2C)n[nH]1 663168605 SKMZAALMAPTPBN-LBPRGKRZSA-N 288.355 0.999 0 50 CCAA C[C@@H](C(=O)Nc1cc(C(=O)O)cs1)S(C)(=O)=O 575433596 CGOZVRFHEZWQGF-YFKPBYRVSA-N 277.323 0.818 0 50 CCAA COCCN1CC[C@@H](CN(C)Cc2cncnc2)C1 1506404996 SYDOSKVAGOAAHA-ZDUSSCGKSA-N 264.373 0.877 0 50 CCAA COc1ccc(N2CCN(c3n[nH]c(=N)s3)CC2)cn1 1857670814 DBVGUZPMJMIYMI-UHFFFAOYSA-N 292.368 0.681 0 50 CCAA CN1CCn2nc(C(=O)N3CCC(F)(F)CC3)cc2C1=O 1857682363 OFGNURHFPSBOPU-UHFFFAOYSA-N 298.293 0.840 0 50 CCAA C1CC(N[C@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)CCN1 1857723362 CCZNQPCQDFANSV-KKUMJFAQSA-N 265.401 0.580 0 50 CCAA CC(C)(N)C(=O)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704339016 BOBWKLQAUFHLRE-VXGBXAGGSA-N 263.341 0.181 0 50 CCAA CC(C)Oc1cccc(CC(=O)N[C@H](C(=O)O)[C@@H](C)O)c1 1615587891 USVXGKKMVMTNDW-YGRLFVJLSA-N 295.335 0.967 0 50 CCAA O=C1CCCN1CCC(=O)N1CCC[C@@H](C2(O)CC2)C1 1772809807 FAVFHPLYQHFQKH-GFCCVEGCSA-N 280.368 0.762 0 50 CCAA CC(=O)N1C[C@H]2CN(C(=O)Cc3ccncc3C)C[C@H]2C1 820414793 YQUZNFOZLBUADJ-GASCZTMLSA-N 287.363 0.869 0 50 CCAA Cc1cnc(CN(C)Cc2[nH]c(=O)[nH]c2C(=O)O)[nH]1 216122398 WEHNIQACQQKHOQ-UHFFFAOYSA-N 265.273 0.065 0 50 CCAA Cc1ccc(NC(=O)CN2CCCC[C@H](O)C2=O)cn1 644401839 WPBBQFUCYQZPQG-LBPRGKRZSA-N 277.324 0.702 0 50 CCAA CCOC(=O)c1cnc(N2CCOCC2)nc1C 8731931 RXGOAHHHDBIXSA-UHFFFAOYSA-N 251.286 0.798 0 50 CCAA in-vitro Cn1c(=O)oc2ccc(NC(=O)[C@H]3COCCN3)cc21 237708147 JLKKUICFUAAPFA-SECBINFHSA-N 277.280 0.058 0 50 CCAA COc1cc(OC)nc(C(=O)Nc2ccnc(C)n2)n1 903456457 LPAUPXKJPNCAJI-UHFFFAOYSA-N 275.268 0.845 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC[C@@H](C)N1CCCCC1=O 907647478 JCWPJYBWTSUHSY-GFCCVEGCSA-N 295.383 0.538 0 50 CCAA Cc1ccc(CC(=O)N[C@@H](CO)C(N)=O)cc1Cl 935925671 GEPPZTBVVMLAJC-JTQLQIEISA-N 270.716 0.153 0 50 CCAA COc1cc(NS(=O)(=O)N(C)C)cc(OC)c1OC 28580434 NZYWLHORXAXWRW-UHFFFAOYSA-N 290.341 0.931 0 50 CCAA O=C(O)[C@@H](C1CC1)N1CCN([C@H]2CCOC2)CC1 635018490 NKYYYRWQXYLRAZ-NWDGAFQWSA-N 254.330 0.256 0 50 CCAA CCS(=O)(=O)c1nc2ccccc2n1CC(N)=O 1059990 AYUKHCBIFMRPOF-UHFFFAOYSA-N 267.310 0.315 0 50 CCAA CCc1c(NC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)n[nH]c1C 2100544600 AUODCVOHQDSXDC-SECBINFHSA-N 293.327 0.502 0 50 CCAA O=C(NS(=O)(=O)[C@@H]1CCCOC1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2325773700 UCWWMBUQFUAKFY-HDLKOFKZSA-N 299.392 0.904 0 50 CCAA C[C@@H]1C[C@H]2CN(c3ccnc4c3CNC4=O)CCN2C1 2325891350 BBWQREMEKZSVER-MNOVXSKESA-N 272.352 0.855 0 50 CCAA COC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2C1=O 116338 NONLWLJJNZYAMD-SECBINFHSA-N 276.292 0.434 0 50 CCAA CN(CCc1nccn1C)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356165931 RGARPLMOGGUVPA-XQQFMLRXSA-N 276.384 0.809 0 50 CCAA COc1cc(C)nc(N2C[C@@H](C)[C@@H](C(=O)O)C2)n1 226621914 UEKLWUDHPMECNP-APPZFPTMSA-N 251.286 0.951 0 50 CCAA O=C(NCCN1CCOCC1)c1ccccc1F 20494721 HYFILUZKXGKHRG-UHFFFAOYSA-N 252.289 0.888 0 50 CCAA CCOC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 171951947 NKUMVHZHEGMRKP-UHFFFAOYSA-N 258.299 0.509 0 50 CCAA NC(=O)CCC(=O)N1CCC[C@H](CN2CCCC2)C1 20201102 GFCHGSYUSGPHKS-GFCCVEGCSA-N 267.373 0.586 0 50 CCAA CN1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1=O 172611831 PRTDJVDIIPAROO-GFCCVEGCSA-N 274.320 0.538 0 50 CCAA COC[C@@H](O)CN1CCC[C@@H](c2ccnc(C)n2)C1 601831633 AKFISSLMTKXODO-OLZOCXBDSA-N 265.357 0.972 0 50 CCAA C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328625048 KIOFUGJNPBBWOU-SDDRHHMPSA-N 278.356 0.650 0 50 CCAA Cc1nc(C)c(C(=O)N2CCN3CCOC[C@H]3C2)o1 363870157 VWQHAPNPYZESEW-LLVKDONJSA-N 265.313 0.448 0 50 CCAA COc1nc(C)ccc1C(=O)NC[C@@H]1COCCO1 330711777 QIWKYVAWUOQIES-SNVBAGLBSA-N 266.297 0.544 0 50 CCAA Cc1cncc(C(=O)N2CCOC[C@H]2CC(=O)O)c1 128219670 SYIJKAKSFSFGCR-LLVKDONJSA-N 264.281 0.706 0 50 CCAA CCCc1cc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)no1 72158984 JWRIOJXZWDZLSK-SKDRFNHKSA-N 268.313 0.442 0 50 CCAA O=C(O)CCC(=O)NCC(=O)OCc1ccccc1 216108552 WEOVRPLLSRMOFL-UHFFFAOYSA-N 265.265 0.711 0 50 CCAA CN(CCCc1nccn1C)C[C@@]1(O)CCCNC1 72479275 HMCMFLZSXLZSEH-CQSZACIVSA-N 266.389 0.399 0 50 CCAA COc1ccc(CC(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1 285649519 UMNOSUFOWAHIPO-HNNXBMFYSA-N 292.335 0.077 0 50 CCAA Cc1cccc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)n1 286762642 IETFLGUGCLTFEL-SCZZXKLOSA-N 251.261 0.428 0 50 CCAA CCc1cc(CNC(=O)[C@@H](C)NC(=O)OC)on1 220000027 SBSAPZJTBPDGLA-SSDOTTSWSA-N 255.274 0.598 0 50 CCAA CN(CCC(=O)O)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 178287022 NXEJVVJANCIBQB-BQBZGAKWSA-N 296.245 0.377 0 50 CCAA CCCCS(=O)(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C 220223049 XGCKZMRQGFGXNI-WRWGMCAJSA-N 276.402 0.423 0 50 CCAA O=C1CC[C@H](C(=O)NCc2ncc(Cl)cn2)CN1 426477730 LFOZVQQPBHYODW-ZETCQYMHSA-N 268.704 0.272 0 50 CCAA Cc1c(NC(=O)N2CC[C@@H](O)C2)cccc1C(N)=O 96161076 IUDGELCCQCDETI-SECBINFHSA-N 263.297 0.692 0 50 CCAA O=[N+]([O-])c1cccc(S(=O)(=O)N[n+]2ccccc2)c1 94781609 RHGYUWJOMUZUKU-UHFFFAOYSA-N 280.285 0.815 0 50 CCAA CCN(C(=O)c1cnc(N(C)C)nc1C)[C@H]1COC[C@@H]1O 95358220 VHJBUQMYOMVYCR-RYUDHWBXSA-N 294.355 0.073 0 50 CCAA CC(C)C[C@@H]1COCCN1CCn1cc[nH]c1=O 244873075 WJPVEESJKOJOGF-GFCCVEGCSA-N 253.346 0.923 0 50 CCAA CCc1nccn1CC(=O)N[C@H](C)c1nnc(N)s1 244633259 FZXBTGZLVKXUNV-SSDOTTSWSA-N 280.357 0.757 0 50 CCAA Cc1ccnn1CCN1CCN(CC2CC2)[C@H](CCO)C1 244787855 QEWAUWOUIJEOKX-MRXNPFEDSA-N 292.427 0.970 0 50 CCAA O=C(N[C@]1(CO)CCOC1)c1cc(-c2ccncc2)on1 182933958 WMQMXHICBQTREH-AWEZNQCLSA-N 289.291 0.618 0 50 CCAA CCCCO[C@@H](C)C(=O)N1CCO[C@@H](C(=O)O)C1 299748183 GJHJKNMPJYVFQS-VHSXEESVSA-N 259.302 0.504 0 50 CCAA CC[C@H]1CN(Cc2cnc(N(C)CC(=O)O)nc2)CCN1 534636376 TYPGDTKGQWZIMJ-LBPRGKRZSA-N 293.371 0.181 0 50 CCAA COCCN(C)CC(=O)NCc1cc(C(C)C)on1 534636258 RMWONADCZXEPAH-UHFFFAOYSA-N 269.345 0.992 0 50 CCAA COc1ccc(CN2CC[C@](C)(O)[C@@H](O)C2)cn1 96141859 FOGOOVRSWPJBSN-AAEUAGOBSA-N 252.314 0.408 0 50 CCAA CCn1nc(CO)c2c1CCN(C[C@H]1CCOC1)C2 299780595 SWKFHUBDJAYZSY-LLVKDONJSA-N 265.357 0.790 0 50 CCAA C[C@H](NC(=O)N(C)CCN(C)C)c1nnc(N)s1 823692194 SEXICAOHLWREDR-ZETCQYMHSA-N 272.378 0.384 0 50 CCAA CC(=O)NCCCc1nc(-c2ccco2)nn1CCO 828776982 OUOXLVQLOYQZRE-UHFFFAOYSA-N 278.312 0.599 0 50 CCAA CCc1noc(CNC(=O)C[C@H]2CN(C(C)C)CCO2)n1 584896864 WBJKILKBWSWMRR-NSHDSACASA-N 296.371 0.748 0 50 CCAA CCCOC[C@H]1CCN(C(=O)CCn2cnnn2)C1 584903324 LTWHFKGXDKVSNU-NSHDSACASA-N 267.333 0.338 0 50 CCAA CC(C)n1cnnc1CCNC(=O)CCc1cn[nH]c1 584894898 XPZSCIPUDJBGPK-UHFFFAOYSA-N 276.344 0.874 0 50 CCAA CC(C)N1CC[C@H](CN(C)S(=O)(=O)c2cn[nH]c2)C1 670459197 TUZGNIAPQKLFQS-LLVKDONJSA-N 286.401 0.761 0 50 CCAA COCCCCN1CCN(c2cncc(C(N)=O)n2)CC1 670468587 USBLMCPJZGYPFA-UHFFFAOYSA-N 293.371 0.124 0 50 CCAA Cc1nonc1CNC(=O)N1CC[C@H](N2CCCC2=O)C1 873283337 QVEZUAQUSMRAEB-JTQLQIEISA-N 293.327 0.284 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 1875376909 MRBVENYXTSBIIK-CSPWOOARSA-N 292.383 0.660 0 50 CCAA Cc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)nc(C)n1 952989398 IMZVXZRRKJNZSC-NSHDSACASA-N 289.295 0.242 0 50 CCAA N[C@H]1C[C@@H](NC(=O)COCc2ccccn2)C12CCC2 1775961406 YILJXPRGBQITFA-QWHCGFSZSA-N 275.352 0.984 0 50 CCAA CN(CC(=O)O)C(=O)c1ccc2c(c1)NC(=O)CCN2C 269119204 GUZASLSABSVMKV-UHFFFAOYSA-N 291.307 0.622 0 50 CCAA Cn1ncnc1SCC(=O)NCC(F)(F)F 185771559 UMNXVELEGCIAKB-UHFFFAOYSA-N 254.237 0.586 0 50 CCAA C[C@H](N[C@@H]1CCC[C@@H]1C)C(=O)N1CCC(C(N)=O)CC1 407967146 PAFPWXBQIFALOX-GMXVVIOVSA-N 281.400 0.877 0 50 CCAA Cc1csc(NC(=O)Cn2ncn3nccc3c2=O)n1 1318530225 HENMZQPONGKTPF-UHFFFAOYSA-N 290.308 0.295 0 50 CCAA CN(CCCO)C[C@@]1(O)CCN(Cc2ccccc2)C1 188282126 OCIJIXBFAHZZNT-INIZCTEOSA-N 278.396 0.938 0 50 CCAA Cc1occc1CN(C)C(=O)CN1CCCC[C@@H](O)C1=O 644324601 PNWAFOCGEDBZBK-CYBMUJFWSA-N 294.351 0.920 0 50 CCAA N[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 191371194 TZZZUCZDJDQISS-HLTSFMKQSA-N 293.289 0.393 0 50 CCAA CCCCCOCC(=O)N1C[C@H]2C[C@H]1CS2(=O)=O 585087239 QDBMYKFUMZCOEA-WDEREUQCSA-N 275.370 0.591 0 50 CCAA Cc1noc2ncnc(N3CCS(=O)(=O)[C@H](C)C3)c12 192459724 RBCXZRJMTNUEIE-SSDOTTSWSA-N 282.325 0.550 0 50 CCAA Cc1cccc(Cl)c1S(=O)(=O)NC[C@H](O)C(=O)O 563795640 AVYRYAYGNFMZBM-QMMMGPOBSA-N 293.728 0.372 0 50 CCAA Cc1nc(C)c(F)c(NC2CCN(CC(N)=O)CC2)n1 750457601 NBQKTHKGYYPIQG-UHFFFAOYSA-N 281.335 0.594 0 50 CCAA Cn1cncc1C(=O)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529089587 KAIJSDFCOLWBIP-TZMCWYRMSA-N 286.335 0.491 0 50 CCAA C[C@@H]1CCCN(CC(=O)N[C@H]2C[C@@H](C(=O)O)C2)C1 1857672521 FXKZHGRJJIBQNL-MXWKQRLJSA-N 254.330 0.698 0 50 CCAA O=C(CCc1cccnc1)N1CC[C@@H](CO)[C@@H](O)C1 215063119 YVPGKCXGWIDMFR-STQMWFEESA-N 264.325 0.216 0 50 CCAA CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C(N)=O)C2)O1 408244166 AIBAUJGCOSGTQP-IVZWLZJFSA-N 255.318 0.213 0 50 CCAA CCN1CCC(N(C)S(=O)(=O)C[C@H](C)OC)CC1 225671774 OEFUKGUYEURCQL-NSHDSACASA-N 278.418 0.767 0 50 CCAA COCCS(=O)(=O)NCCN(C)c1ccccn1 1615586617 WJMCBMNMFHFAEP-UHFFFAOYSA-N 273.358 0.084 0 50 CCAA CN1CC[C@H](NS(=O)(=O)C[C@@H]2CC[C@H](F)C2)CC1=O 1615585402 DYBYMZNSVQARJC-VWYCJHECSA-N 292.376 0.665 0 50 CCAA COC[C@]1(C(=O)O)CN(c2ncccc2F)CCO1 1616035176 NTIPRTIFGXTCCP-LBPRGKRZSA-N 270.260 0.527 0 50 CCAA Cc1nnc2n1C[C@H](CNC(=O)c1ccc3c[nH]nc3n1)C2 1775979545 WTSCLRQIJCLMED-VIFPVBQESA-N 297.322 0.460 0 50 CCAA CC(Nc1ccccc1)=C1C(=O)NC(=S)NC1=O 5562071 QTEXVINPSNITOI-UHFFFAOYSA-N 261.306 0.903 0 50 CCAA COCc1cc(CNC(=O)CN2C[C@H](C)O[C@H](C)C2)[nH]n1 19742260 IHRKKZNJKALBLM-PHIMTYICSA-N 296.371 0.282 0 50 CCAA COCCn1ccnc1-c1nccn1[C@@H]1COC[C@@H]1OC 1857730223 NBJIOAZLDOQUNL-NEPJUHHUSA-N 292.339 0.979 0 50 CCAA Cc1nc(=NCC2CCN(CC(=O)N(C)C)CC2)s[nH]1 408518733 XETUGHLSIXHMFU-UHFFFAOYSA-N 297.428 0.481 0 50 CCAA COc1ccc([C@@H]2C(=O)NC(=O)CN2C)cc1OC 311597822 SHMWLBZKHAEHQH-GFCCVEGCSA-N 264.281 0.333 0 50 CCAA Cc1n[nH]cc1C(=O)N1CCOC[C@@H]1c1ncon1 331528952 DOCXWZBJOWVJCV-SECBINFHSA-N 263.257 0.315 0 50 CCAA COC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CCN1 21982828 FYKXWBBQYZXPFB-GFCCVEGCSA-N 278.308 0.770 0 50 CCAA in-vitro COCCS(=O)(=O)NCc1cn2c(n1)CCCC2 263784544 MHWSJTJFFGNSMK-UHFFFAOYSA-N 273.358 0.285 0 50 CCAA Cc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 36369504 JZLSGOTZKRYLLY-UHFFFAOYSA-N 254.355 0.931 0 50 CCAA O=C(NCCn1cnccc1=O)c1cccc2c1OCC2 823634865 PMBLUSMMQJSORA-UHFFFAOYSA-N 285.303 0.608 0 50 CCAA C[C@@H](C(=O)NCCn1cnccc1=O)c1cccc(O)c1 823634873 PTBLDJGTIXVWIS-LLVKDONJSA-N 287.319 0.869 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCC[C@@]2(CCNC2)C1 662778020 KUCIJZHJYPHCPD-LBPRGKRZSA-N 274.386 0.023 0 50 CCAA CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCn1cccn1 183183332 MYWIQVSEUCGPSB-RYUDHWBXSA-N 271.386 0.829 0 50 CCAA C[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ncc[nH]1 311581581 OQTMLOQGAYHPBH-MNOVXSKESA-N 284.385 0.657 0 50 CCAA COC(C)(C)C[C@@H](C)N1CCN(CC(=O)O)C(=O)C1 534647954 AQQLMBSPWGWYDD-SNVBAGLBSA-N 272.345 0.419 0 50 CCAA CCn1ncnc1CN1CCC[C@]1(COC)C(=O)O 643878612 ZUZIWILCMVCTOK-LBPRGKRZSA-N 268.317 0.364 0 50 CCAA COC(=O)C1=NN(C(C)=O)[C@](O)(c2ccccc2)C1 276682 RBPZTMYQHKPRPP-CYBMUJFWSA-N 262.265 0.613 0 50 CCAA COc1ccc(N(CC(=O)O)S(C)(=O)=O)cc1OC 972066 FJWTZYYUIYSFDV-UHFFFAOYSA-N 289.309 0.554 0 50 CCAA CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl 170624195 KVONUBIEPGSFKF-ALCCZGGFSA-N 297.746 0.998 0 50 CCAA O=C(c1nc(O)c2ccccc2n1)N1CCOCC1 22467916 KGXGYANASZUKNO-UHFFFAOYSA-N 259.265 0.808 0 50 CCAA CC(C)[C@H](CO)NC(=O)c1cc(CN2CCOCC2)on1 67851335 AVJILCIXCQACRM-ZDUSSCGKSA-N 297.355 0.254 0 50 CCAA CCOc1ccccc1NC(=O)CC(=O)NCCN 65488169 OIZIZXMWBBJMTO-UHFFFAOYSA-N 265.313 0.489 0 50 CCAA Cc1cnn([C@H](C)[C@@H](C)NC[C@@H](O)Cn2cccn2)c1 229570183 NPQYCHNJWLJQMF-MGPQQGTHSA-N 277.372 0.988 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@@]2(C(=O)O)C1 307656436 QLRBCEKKWVQZGG-QPUJVOFHSA-N 256.302 0.528 0 50 CCAA CN(CCN(C)C1CCCC1)C(=O)NCCC(=O)O 1506416116 UOTQNQFFFKAYIJ-UHFFFAOYSA-N 271.361 0.977 0 50 CCAA COC[C@H](C)n1ccc(=NC(=O)N[C@@H]2C[C@H](O)C2(C)C)[nH]1 332056629 VZPKGZSMGRDSQF-AXFHLTTASA-N 296.371 0.793 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CCN1Cc1ccc(OC)nc1 65385449 RZBJDTWKROAYMD-NWDGAFQWSA-N 280.324 0.589 0 50 CCAA Cn1cccc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 328621992 AVDWYCRSCJUAIF-SNVBAGLBSA-N 275.312 0.844 0 50 CCAA CCCc1nc(C)cc(N2CCN(C)[C@H](C(=O)O)C2)n1 67805301 BBQPOPOBEAFIQH-NSHDSACASA-N 278.356 0.943 0 50 CCAA NC(=O)N[C@H]1CSC[C@@H]1OC(=O)c1ccccc1 288931 KIDXIMLQNCLUNO-UWVGGRQHSA-N 266.322 0.996 0 50 CCAA biogenic N[C@@H]1CC[C@H](C(=O)NCc2nnnn2-c2ccccc2)C1 72418745 PUNZPPWLAADTEN-WDEREUQCSA-N 286.339 0.406 0 50 CCAA CN(C[C@@H]1COCCO1)C(=O)c1ccc(CO)cc1 217183697 XPWLBMFLDQTEBZ-CYBMUJFWSA-N 265.309 0.666 0 50 CCAA CC(C)(C)c1csc(CCNC(=O)[C@@H]2C[C@@H](O)CN2)n1 236620790 INZBTFBHOFQLBX-ZJUUUORDSA-N 297.424 0.822 0 50 CCAA CCO[C@@H]1C[C@@](CO)(NCc2cn(C)nn2)C1(C)C 331746696 DBAZONRFAOJUTD-YPMHNXCESA-N 268.361 0.471 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H](C(=O)O)C1 261899806 UYAAWOHFAGTJQT-AXFHLTTASA-N 271.313 0.504 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1cnn2ccccc12 72171720 DMQPDQCDFMXVQJ-JTQLQIEISA-N 289.291 0.650 0 50 CCAA Cc1cc(N2CC[C@](O)(c3c[nH]nn3)C2)nc(C)n1 284668834 WJCSFNRRYSHVEB-GFCCVEGCSA-N 260.301 0.309 0 50 CCAA Cc1nonc1CC(=O)N(Cc1nccn1C)C1CC1 221242060 CKLZCKJDZLWLSP-UHFFFAOYSA-N 275.312 0.845 0 50 CCAA CNC(=O)c1ccc(CSc2nnc(CN)n2C)cc1 426689996 XBUQMZYBDXZIRF-UHFFFAOYSA-N 291.380 0.926 0 50 CCAA CN(C)C(=O)NCC(=O)N(C)CCCc1nccn1C 223912437 RVTGIKIOXYAEFT-UHFFFAOYSA-N 281.360 0.082 0 50 CCAA CC[C@H](CO)NC(=O)c1cn(C(C)C)cc(C(=O)O)c1=O 426522959 QMNWSEQDBOJZSO-SECBINFHSA-N 296.323 0.628 0 50 CCAA CN(Cc1ncc[nH]1)C(=O)NCCN1CCCC[C@H]1CO 426387232 HTANPKQOBIJLRE-LBPRGKRZSA-N 295.387 0.398 0 50 CCAA O=C(NC1CC1)c1ccc(C(=O)N2CCNCC2)cc1 237925025 AGJZQPHLXOOLBM-UHFFFAOYSA-N 273.336 0.624 0 50 CCAA Cc1cc(C)c2c(NC[C@@H](O)CN(C)C)ncnc2n1 95353933 DCJXJDUIMYDOGS-LLVKDONJSA-N 275.356 0.976 0 50 CCAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1ccnnc1 244795138 RAILOLHXPWOTAM-QEJZJMRPSA-N 298.346 0.984 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)CCc1n[nH]c(C)c1C 534639421 QPMOVOJJVXNMBE-RYUDHWBXSA-N 266.345 0.062 0 50 CCAA CCCn1ncnc1[C@@H](C)NS(=O)(=O)c1cnn(C)c1 534576685 WPRRSUNAFFOJNX-SECBINFHSA-N 298.372 0.461 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1ncnn1C 276724107 PZRMZISQWBSUDW-ZETCQYMHSA-N 285.329 0.459 0 50 CCAA Cn1ccnc1[C@@H](NC(=O)CCN1CCOCC1)C1CC1 299785534 UJJSQAFEPCXYAJ-AWEZNQCLSA-N 292.383 0.710 0 50 CCAA C[C@@H]1C[C@H](C(=O)Nc2c[nH]nc2C(=O)O)CCO1 585134857 MHTIIKNYNSKBFW-RNFRBKRXSA-N 253.258 0.862 0 50 CCAA Cc1ncn(C)c1C(=O)NCc1nncn1C(C)C 670443344 NXRYHUFBRRNXLZ-UHFFFAOYSA-N 262.317 0.831 0 50 CCAA NC[C@H](O)CNC(=O)[C@@H]1C[C@]12CCCc1ccccc12 1548570908 JWBWIZVYUNNKJZ-NOLJZWGESA-N 274.364 0.716 0 50 CCAA Cn1cncc1[C@@H](N)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 958528224 OVJSIPKKDRUTID-RISCZKNCSA-N 296.371 0.792 0 50 CCAA CO[C@H]1CCOC[C@@H]1n1cnc2ncccc2c1=O 1565515428 IUPCQLZEDWMDKU-QWRGUYRKSA-N 261.281 0.768 0 50 CCAA O=S1(=O)CCC[C@@H](NS(=O)(=O)c2ccco2)C1 408442640 KGTJJSSYJOSRPP-MRVPVSSYSA-N 279.339 0.135 0 50 CCAA COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 90514224 BHEWJAXNLVWPSC-OYNCUSHFSA-N 258.343 0.885 0 50 CCAA in-vitro COC(=O)[C@]1(C)CCN(C(=O)c2ccnc3[nH]cnc23)C1 272147200 WOJQECKUHNJWDB-CQSZACIVSA-N 288.307 0.983 0 50 CCAA C[C@H](O)C[C@H]1COCCN1C(=O)c1ccc2[nH]nnc2c1 274430183 QAZVZFOZVXAQKS-ONGXEEELSA-N 290.323 0.570 0 50 CCAA CNC(=O)Cn1cc(NC(=O)[C@@H]2CCCO[C@H]2C)cn1 189017279 VGVHXPFNQTWXIB-GXSJLCMTSA-N 280.328 0.383 0 50 CCAA COCc1nc(OC)cc(N2CCCN(C(N)=O)CC2)n1 680331890 BWXFNKKJFQSKLS-UHFFFAOYSA-N 295.343 0.222 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N[C@H]1CNCC[C@@H]1C 193406443 FCBCVFWLGWWMKD-XVKPBYJWSA-N 273.358 0.568 0 50 CCAA O=C1CCC2(CCN1)CCN(CCN1CCCC1=O)CC2 1506406769 GCABZTBQAWXUCS-UHFFFAOYSA-N 293.411 0.991 0 50 CCAA NCCCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704350407 JBNLDDHIEHXYRL-OLZOCXBDSA-N 263.341 0.494 0 50 CCAA CN1CCN(c2ccc(C(=O)O)nn2)CC12CCOCC2 1800413391 FMFNNHQITBGCAR-UHFFFAOYSA-N 292.339 0.476 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1cscn1 128268763 NJEVGVNSAFRUGK-SSDOTTSWSA-N 256.283 0.459 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(CN)cc1 375064573 JUYITVKYTUMUPD-STQMWFEESA-N 265.332 0.917 0 50 CCAA CC(C)C1(CNC(=O)c2cnc(C(N)=O)cn2)CC1 1772706524 RCJDBSKPTQYXPD-UHFFFAOYSA-N 262.313 0.742 0 50 CCAA CCCCc1ncc(CN2C[C@H]3[C@H](C2)C3(CO)CO)[nH]1 1772816717 ZTDFPTQFGDBNNP-STQMWFEESA-N 279.384 0.785 0 50 CCAA COc1nc(N2CCC3(CC2)CN(C)CCO3)ncc1F 1772815336 GVKUCODGEDCBLN-UHFFFAOYSA-N 296.346 0.925 0 50 CCAA CCCCNC(=O)CNS(=O)(=O)c1ccc(N)cc1 5608240 WSGYCAZIKBIUQJ-UHFFFAOYSA-N 285.369 0.463 0 50 CCAA N[C@@H]1CC[C@H](C(=O)NCCOCc2ccccc2)C[C@H]1O 1857720109 FFDXYVLESHMLMB-RRFJBIMHSA-N 292.379 0.808 0 50 CCAA O=C(c1cnn2ccncc12)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 328599300 BWJKFXVWYUQJES-XSYNQRDESA-N 284.319 0.571 0 50 CCAA CC1(C)[C@@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@H]21 266103426 QXRKTAHMHRMYKE-NXEZZACHSA-N 271.324 0.781 0 50 CCAA Cc1nnc(=NC[C@H](O)c2ccc(O)cc2)[nH]c1C 1875279555 WJMYJCPLYHKXNE-LBPRGKRZSA-N 260.297 0.761 0 50 CCAA O=C(NC1C[C@@H]2CC[C@H](C1)S2(=O)=O)c1cccnc1O 834836816 ZMGOSUKFIXCRGC-PBINXNQUSA-N 296.348 0.625 0 50 CCAA CCOC(=O)c1cnn(C[C@@H]2C[C@@H](N)[C@H](O)C2)c1 1857778100 CWZUPZJTQXVYQX-FBIMIBRVSA-N 253.302 0.158 0 50 CCAA C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NC[C@@](C)(O)CN(C)C 230178003 HQQGTCRYFWFNNO-QVHKTLOISA-N 285.432 0.677 0 50 CCAA CC(=O)N1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)CC1 232456762 JMQRUOAHGGAUEN-NWDGAFQWSA-N 282.340 0.568 0 50 CCAA CCS(=O)(=O)c1ccccc1C(=O)N1CCN[C@@H](C)C1 155168667 YFGHKJYBMPDYJL-NSHDSACASA-N 296.392 0.914 0 50 CCAA CCc1nc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)c[nH]1 70422796 LPSSDURFSRTDTM-SNVBAGLBSA-N 286.401 0.544 0 50 CCAA Cc1ncn(C)c1C(=O)N1CC[C@@H](C(C)(C)O)C1 670468976 FFQMLOONBMJUCS-SNVBAGLBSA-N 251.330 0.962 0 50 CCAA O=C1CC[C@H](Nc2cc(N3CCCC3)ncn2)C(=O)N1 1857797733 HKMYQUHLUBTGCP-VIFPVBQESA-N 275.312 0.294 0 50 CCAA C[C@@H](Cn1cncn1)NC(=O)c1ccc2ccn(C)c2n1 2356145482 ODIWNAHMMCHLDH-JTQLQIEISA-N 284.323 0.983 0 50 CCAA CCOc1ccccc1NC(=O)C(=O)NC[C@H](C)O 2994051 JYNFORPZYXEIAU-VIFPVBQESA-N 266.297 0.521 0 50 CCAA C[C@H]1C(=O)N(C2CC2)Cc2nnc(-c3cnccn3)n21 2356157073 DDOVKJTUMKTCBN-QMMMGPOBSA-N 270.296 0.801 0 50 CCAA CCCn1cnc(NC(=O)CCn2nnnc2C)n1 2356166862 CGTOSLHIPFCAEQ-UHFFFAOYSA-N 264.293 0.012 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(CCOc2ccccc2F)C1 344554847 VILIAFLYLSXZLO-JQWIXIFHSA-N 282.315 0.779 0 50 CCAA O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1C[C@@H](O)c1ccccc1 101753871 FREIRFWNHZCLAZ-KSTCHIGDSA-N 285.299 0.658 0 50 CCAA COc1cccc(N2C[C@@H](C(=O)NCCN)CC2=O)c1 20728362 HYQGXDKSKYTVCL-JTQLQIEISA-N 277.324 0.123 0 50 CCAA Cc1nn(C)c(C)c1CC(=O)N1C[C@H]2[C@@H](C1)OCCN2C 152567115 OPCGJBIBQGKKGK-UONOGXRCSA-N 292.383 0.121 0 50 CCAA COCCc1noc(CN2CC[C@@]3(C2)CN(C)C(=O)O3)n1 72149579 CUCIUHHHJYBXAM-ZDUSSCGKSA-N 296.327 0.285 0 50 CCAA Cn1cncc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O 330173211 HDSNZOZGJJXQBC-CMPLNLGQSA-N 277.324 0.630 0 50 CCAA CC(C)[C@@H]1CN(CC(N)=O)CCCN1CC1CC1 71753244 RBVAQSWEFLCDIP-ZDUSSCGKSA-N 253.390 0.914 0 50 CCAA O=C(O)CCCS(=O)(=O)N1C[C@H]2CCC[C@H]2C1 159664155 MLQAFRLDONXVNN-AOOOYVTPSA-N 261.343 0.913 0 50 CCAA O=C(CCn1cncn1)N[C@@H]1COc2ccccc2C1 194459196 FXVMIQCVCDYUSM-LBPRGKRZSA-N 272.308 0.788 0 50 CCAA Nc1nc2c(c(C(=O)N3CCCC[C@@H](N)C3)n1)CCCC2 82134329 FBARWTYOHKCJQV-SNVBAGLBSA-N 289.383 0.891 0 50 CCAA NC(=O)c1c[nH]c(C(=O)N[C@H]2COc3ccccc32)c1 176267911 BZZRHZMTRBWBRY-NSHDSACASA-N 271.276 0.977 0 50 CCAA Cc1cc(C)n(CCNC(=O)[C@@]2(C)CCCO2)c(=O)n1 426372538 XIEXDYVBNMDVRT-CQSZACIVSA-N 279.340 0.545 0 50 CCAA CCc1nc(NCCS(=O)(=O)N2CCCC2)ncc1C 426376390 ORAQSWRPZMLOAG-UHFFFAOYSA-N 298.412 1.185 0 50 CCAA Cc1nnc(CN(C)C(=O)N[C@H](C)Cn2cccn2)o1 426589172 XIJPVMOCSMVKGV-SECBINFHSA-N 278.316 0.805 0 50 CCAA OCCn1ncnc1-c1cc(-c2ccccn2)n[nH]1 91562669 XHZYAOQYZNHAFC-UHFFFAOYSA-N 256.269 0.723 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCC[C@@]2(C)C(=O)O)c[nH]1 235866953 PJWOKCPZWDCSIK-ZDUSSCGKSA-N 264.281 0.763 0 50 CCAA CN1CCN(Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C(=O)O 244795279 RDETYCMCQFSJCI-LBPRGKRZSA-N 290.323 0.870 0 50 CCAA CSCCC(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C)C1 244795324 REBVYACLRRKZCB-DTORHVGOSA-N 284.385 0.423 0 50 CCAA CCN(Cc1nc(COC)no1)Cc1nnc(C)o1 244718861 LSHJVEOGJXMLOC-UHFFFAOYSA-N 267.289 0.930 0 50 CCAA CCN1CCO[C@@H](C(=O)N2CCOc3nc(C)ccc32)C1 181603004 VLIIIINJWBQDTL-CYBMUJFWSA-N 291.351 0.836 0 50 CCAA NC[C@@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)CCO1 534666253 BYVLTBHRUJXHHO-CYBMUJFWSA-N 286.335 0.876 0 50 CCAA Cc1noc(COCC(=O)N2CCCC[C@H]2C(=O)O)n1 299750324 NBXJSQKPGIVFDX-VIFPVBQESA-N 283.284 0.360 0 50 CCAA Cn1cc(Cl)cc1C(=O)NCCn1cncn1 263847020 UJZMTBMQXWKUMB-UHFFFAOYSA-N 253.693 0.700 0 50 CCAA CCS(=O)(=O)N1CCC(CNC(=O)C2CCC2)CC1 543511519 AIOSUSSVKZZNOT-UHFFFAOYSA-N 288.413 0.964 0 50 CCAA CN1C[C@@H](NS(=O)(=O)CCOc2ccccc2)CC1=O 289569289 UDDYBSNUOCEGKQ-NSHDSACASA-N 298.364 0.216 0 50 CCAA C[C@H](CN1CCN(C)CC1)NCC1(CO)CCCC1 828686776 UWSYDRLDAUMDRK-CQSZACIVSA-N 269.433 0.765 0 50 CCAA CN1CCCNC(=O)C12CCN(C[C@H]1CCOC1)CC2 823778348 ICUAHNZLQQVEGO-CYBMUJFWSA-N 281.400 0.309 0 50 CCAA CCc1noc(CCN[C@H](C)CN2CCOCC2)n1 823569378 JAVOTEOAIJTKFP-LLVKDONJSA-N 268.361 0.485 0 50 CCAA CN1CCOC[C@H](CNC(=O)c2cccnc2O)C1 823801000 HARWSBQBCSXHCS-SNVBAGLBSA-N 265.313 0.095 0 50 CCAA O=C(N1CCOCC1)N1CCC(NC2CCOCC2)CC1 584890292 JNIWJTFHGWKHMR-UHFFFAOYSA-N 297.399 0.672 0 50 CCAA CN(C)C(=O)c1ccc(CN[C@H]2CCNC(=O)CC2)o1 584892924 PQEIMSXHRIONQJ-SNVBAGLBSA-N 279.340 0.740 0 50 CCAA CC1(C)C[C@@H](O)CCN(C(=O)Cn2ccccc2=O)C1 670448701 VZOLZLHYRWWYJR-LBPRGKRZSA-N 278.352 0.858 0 50 CCAA CCCCCNC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239175786 QQGWDZUOHHCMMG-CHWFTXMASA-N 253.298 0.947 0 50 CCAA CCSCCNC(=O)[C@H]1CCCN(C(N)=O)C1 952974859 FWZGUVMQWFKQMU-VIFPVBQESA-N 259.375 0.646 0 50 CCAA Cc1ncc(C(=O)N2C[C@@H](O)CC2(C)C)c(=N)[nH]1 1875298020 LYRAEKCYUFKDTD-QMMMGPOBSA-N 250.302 0.183 0 50 CCAA CN(CCn1ccnc1)c1nc(O)c2c(ncn2C)n1 1875302643 AAEBLNRQOZECIM-UHFFFAOYSA-N 273.300 0.402 0 50 CCAA Cn1cc([C@H]2CN=C(N[C@@H]3C[C@@H]4CC[C@H]3O4)N2)cn1 1875392742 RIOPQKAITWZXEU-IRCOFANPSA-N 261.329 0.330 0 50 CCAA CC[C@@H](C(=O)NC1(C(=O)O)CCOCC1)N(C)CC 952972649 PNTXSRRZBSLHFK-JTQLQIEISA-N 272.345 0.467 0 50 CCAA C[C@H](O)c1cn([C@H]2CCCN(c3cnn(C)c3)C2=O)nn1 881299484 LSSNIKPEOAPWBJ-CABZTGNLSA-N 290.327 0.433 0 50 CCAA COCCNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 16625104 RHNBFXSXHUOITF-GHMZBOCLSA-N 280.324 0.090 0 50 CCAA CCO[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1CO 888100716 KLLKRWSXRJTCSP-CMPLNLGQSA-N 252.314 0.495 0 50 CCAA C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C[C@@H](O)C(F)(F)F 248393469 LUKKEBAUJXVIGL-BWZBUEFSSA-N 275.292 0.417 0 50 CCAA O=C(CC[C@H]1CCCO1)NS(=O)(=O)[C@@H]1CCOC1 408389728 NNDRLDWGJOMTKD-NXEZZACHSA-N 277.342 0.181 0 50 CCAA Cc1cncc(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)c1 644002035 BQGRZLVTQBYRJV-CQSZACIVSA-N 277.324 0.233 0 50 CCAA Cc1n[nH]c(C)c1NC(=O)CN1CCCC[C@@H](O)C1=O 644316669 UTJVSRDJLNQMJU-SNVBAGLBSA-N 280.328 0.338 0 50 CCAA O[C@@]1(Cn2ccnn2)CCN(CCc2ccncc2)C1 671551902 RNCLHOPDPMQHQA-AWEZNQCLSA-N 273.340 0.353 0 50 CCAA CCCCCOCC(=O)N1CC(N2CC[C@@H](O)C2)C1 585089880 XNJVJCPPVJUSIJ-CYBMUJFWSA-N 270.373 0.471 0 50 CCAA CCc1ccc(S(C)(=O)=O)cc1C(=O)NCC(=O)O 564968367 YIQJAOHPRIIQDB-UHFFFAOYSA-N 285.321 0.467 0 50 CCAA CC(C)(C)c1nsc(N2CCOC[C@@H]2CC(N)=O)n1 571017540 YKFFERJYODFNMC-QMMMGPOBSA-N 284.385 0.916 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC[C@@H](c2cnn(C)c2)C1 775459038 LTHLHHUIZOMGBW-GFCCVEGCSA-N 290.367 0.818 0 50 CCAA CN(CC(=O)O)C(=O)CCCN1CCCCC1=O 1506418119 QLNIIGUTAVXVNZ-UHFFFAOYSA-N 256.302 0.322 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N(CCO)Cc1ncc[nH]1 1704324831 FNAGOBHPWFITEB-ONGXEEELSA-N 254.334 0.104 0 50 CCAA Cc1cc(O)cc(=O)n1C[C@@H]1CCS(=O)(=O)C1 1547200768 DWXNNOOKNPGWES-VIFPVBQESA-N 257.311 0.297 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1ccncc1 643945342 CJQCRHWHPKFELB-ZDUSSCGKSA-N 263.297 0.188 0 50 CCAA N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CO 16697403 YXCPNFNWSNFFFZ-VXGBXAGGSA-N 250.298 0.575 0 50 CCAA in-vitro Cc1nnccc1C(=O)N1CCCC[C@@H]1CS(C)(=O)=O 1615589648 FEKFHZHJGJYBIO-LLVKDONJSA-N 297.380 0.824 0 50 CCAA Cc1cccc(C(=O)N2C[C@H](Cc3cnccn3)[C@@H](O)C2)n1 1615734687 GPJFSSJCMIYLEY-WFASDCNBSA-N 298.346 0.856 0 50 CCAA O=C(Cn1cccn1)N1C[C@H](Cc2ccncc2)[C@@H](O)C1 1615965617 BTNRDIGWGNDQJR-KBPBESRZSA-N 286.335 0.340 0 50 CCAA CC1(C)O[C@@H]2CO[C@@]3(CO)OC(C)(C)O[C@H]3[C@@H]2O1 5727805 PSSHGMIAIUYOJF-XBWDGYHZSA-N 260.286 0.377 0 50 CCAA in-vitro O=S1(=O)C[C@H](N2CCOCC2)c2ccccc21 19300214 GGAKYZFQZFWTLL-NSHDSACASA-N 253.323 0.847 0 50 CCAA COc1ccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)nc1 333756820 OFFGNHOKIUJWAK-CYBMUJFWSA-N 291.351 0.918 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)c1cn2cccnc2n1 545445051 XSOMGIDEXHPALK-JQWIXIFHSA-N 290.323 0.653 0 50 CCAA O=C1COc2cc(C(=O)NC3(C(=O)O)CCC3)ccc2N1 164845545 VSHOQTFMZVEWTC-UHFFFAOYSA-N 290.275 0.755 0 50 CCAA O=C(c1ccncc1Cl)N1CC(N2CCOCC2)C1 911650570 YSPRPHFNQOXOHY-UHFFFAOYSA-N 281.743 0.892 0 50 CCAA O=C(CO[C@@H]1CCNC1)N1CCOc2ccccc21 1875278861 QLWPCXJYRRFKPF-LLVKDONJSA-N 262.309 0.791 0 50 CCAA OC[C@@H]1CN(Cc2c[nH]nc2C(F)(F)F)CC[C@H]1O 1141011761 NUYRXKKSSWJXRR-DTWKUNHWSA-N 279.262 0.604 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCCC[C@H]1C(=O)OCC 858928137 SBPVHEDSJOEGCA-NSHDSACASA-N 282.340 0.575 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)O)C1 236815609 NDXUIPBMTICRIW-MNOVXSKESA-N 268.313 0.321 0 50 CCAA COc1cc(C(=O)N2CC[C@](O)(CN(C)C)C2)ccn1 72129473 YFLRZZOCXKJLHX-AWEZNQCLSA-N 279.340 0.229 0 50 CCAA O=C(c1cnn2ccccc12)N1CCOC[C@@H](CO)C1 77538072 SVUDIZNUCSFJDP-LLVKDONJSA-N 275.308 0.415 0 50 CCAA CCOC1CC(C(=O)N2CCNC(=O)[C@H]2CC)C1 331913866 BGGJIGLRWLPJPM-VQXHTEKXSA-N 254.330 0.539 0 50 CCAA CN(CCn1cnc2ccccc21)S(C)(=O)=O 688808259 VMQYFIAORGJUDV-UHFFFAOYSA-N 253.327 0.928 0 50 CCAA CCc1ncc(S(=O)(=O)N[C@@H]2CCN(CC)C2)[nH]1 389744472 TZGCMMFYYBPECT-SECBINFHSA-N 272.374 0.345 0 50 CCAA Nc1cc(N2CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C2)ncn1 2100541279 YVVBPRNKJWAKFE-QMTHXVAHSA-N 292.339 0.501 0 50 CCAA C[C@@H](C1CCC1)N(C)C(=O)[C@@H]1CCc2nnnn2C1 2325771243 MVCZTMURMCHWKT-GXSJLCMTSA-N 263.345 0.883 0 50 CCAA Cc1noc(C2(NC(=O)[C@@H]3C[C@H](C)OC3=O)CC2)n1 2325804408 LAOPSLDHFBRPCN-XPUUQOCRSA-N 265.269 0.435 0 50 CCAA O=S1(=O)N=C(N2CCOCC2)c2ccccc21 208421 DHVZVUVCWXRYTA-UHFFFAOYSA-N 252.295 0.468 0 50 CCAA CCn1nnc(NC(=S)NC(=O)c2cccs2)n1 557828 DIKJOJLIYZHJQB-UHFFFAOYSA-N 282.354 0.881 0 50 CCAA O=S(=O)(O)c1ccc2sc(S(=O)(=O)O)nc2c1 1714720 LPQVEXUZOUXFTH-UHFFFAOYSA-N 295.319 0.790 0 50 CCAA in-vitro CC1=NNC(=O)[C@@H]1CNC(=O)Cc1cn(C)c2ccccc12 101917673 ASYHCLKUURXTST-CYBMUJFWSA-N 298.346 0.959 0 50 CCAA CC(C)[C@H](C)n1nccc1NC(=O)c1cc(=O)[nH]c(=O)[nH]1 55576437 DPUGQFHSXUPYMT-QMMMGPOBSA-N 291.311 0.729 0 50 CCAA Cn1cc(NC(=O)CCn2nnc3ccccc3c2=O)cn1 25307625 KNLUUJRSVAYFMZ-UHFFFAOYSA-N 298.306 0.554 0 50 CCAA C[C@H](O)CNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 67431779 SZGTWYVLWZWZMQ-JTQLQIEISA-N 299.334 0.918 0 50 CCAA COc1cc(N2CCC3(CC2)CNC(=O)O3)ncn1 65385526 JNMIRFRTMYUDDJ-UHFFFAOYSA-N 264.285 0.564 0 50 CCAA CCOC[C@@H](O)CN1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 229922916 DNHXUNUXKXUWMP-MNOVXSKESA-N 296.371 0.085 0 50 CCAA CNc1ccnc(N[C@H]2CC(=O)N(CCOC)C2)n1 65409589 GZVYEKHXPCKPDE-VIFPVBQESA-N 265.317 0.178 0 50 CCAA CC(C)CN1CCN(C(=O)c2cnccn2)[C@@H](C)C1=O 77288116 VBVGTEXSRGADNQ-NSHDSACASA-N 276.340 0.806 0 50 CCAA COc1cc2c(cc1CN1CCN[C@@H](C(=O)O)C1)OCO2 71764202 HEYXDQYHLJWNAR-SNVBAGLBSA-N 294.307 0.282 0 50 CCAA CN1C(O)=N[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C3CC3)CC[C@@H]21 329148992 YPNWWQQOXHYATQ-KXNHARMFSA-N 263.341 0.861 0 50 CCAA Cc1nc2ncnn2c2ccn(CCc3c[nH]cn3)c(=O)c12 72115667 VHYVDITUAMXRME-UHFFFAOYSA-N 295.306 0.713 0 50 CCAA CCCc1cc(C(=O)NCCS(=O)(=O)CC)n(C)n1 77419515 HSSAPKITBPVZII-UHFFFAOYSA-N 287.385 0.537 0 50 CCAA Cc1cccc(=O)n1CCCNC(=O)[C@H]1CC[C@@H](N)C1 72411629 ZHSYINFWKBHDKP-QWHCGFSZSA-N 277.368 0.790 0 50 CCAA COc1ccc(C(=O)NCC2(C)COC2)c(OC)n1 215743323 HLOMHVXUZGODTB-UHFFFAOYSA-N 266.297 0.865 0 50 CCAA CN1C(=O)CC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C1=O 333537102 ZGDISXRZNUZHAB-LLVKDONJSA-N 289.335 0.771 0 50 CCAA CCn1ncnc1CN1CCC(N2CCC[C@H](O)C2)CC1 215215625 FXHXTXWFBKGYBO-AWEZNQCLSA-N 293.415 0.719 0 50 CCAA CC(=O)c1cc(CC(=O)N2CCOC[C@H](O)C2)cs1 77375955 DJASLJWXOITNCX-LLVKDONJSA-N 283.349 0.713 0 50 CCAA CN(C)C[C@]1(O)CCCN(Cc2nccn2C)C1 72454244 ZCONWDHYOPIHIO-CYBMUJFWSA-N 252.362 0.309 0 50 CCAA N[C@@H]1CCN(c2nc(-c3cccnc3)nc3c2CCNC3)C1 71754723 JEULWIVPWHTJOR-GFCCVEGCSA-N 296.378 0.722 0 50 CCAA CO[C@]1(CN2CCN(C)[C@H](c3nc(C)no3)C2)CCOC1 606444045 AFHJZIOIGXLWNG-JSGCOSHPSA-N 296.371 0.472 0 50 CCAA CC(C)c1nnc([C@H](C)NC(=O)C2=NNC(=O)CC2)o1 215764789 JFDMZBQAHQMTNW-ZETCQYMHSA-N 279.300 0.636 0 50 CCAA Cc1cc(C)c(C(=O)NC2(C(=O)O)CCOCC2)c(=O)[nH]1 131764709 KPJQDDLTTNQQHK-UHFFFAOYSA-N 294.307 0.355 0 50 CCAA Cn1c(SCC(=O)NC2CC2)nnc1[C@H]1CCCNC1 426530428 MPQZYEUXEBSFEQ-VIFPVBQESA-N 295.412 0.653 0 50 CCAA C[C@H](COC1CCCC1)CS(=O)(=O)N1CC(C)(O)C1 328779383 UCAZPVFGFRUFDD-LLVKDONJSA-N 291.413 0.978 0 50 CCAA Cc1cc(=NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)cc[nH]1 527565365 JJMCMRLZVXQWIY-MDZLAQPJSA-N 273.340 0.897 0 50 CCAA COc1ncc(C(=O)NCC2(CO)CCOCC2)cn1 426544383 MMEXJVFGJLAUKS-UHFFFAOYSA-N 281.312 0.004 0 50 CCAA CCCN1C[C@H](NC(=O)c2[nH]nc(N)c2Cl)CC1=O 221418445 PIHBBAHINQWJOL-ZCFIWIBFSA-N 285.735 0.386 0 50 CCAA Cc1cc(CC(=O)NCCOc2nonc2C)on1 220640562 GLISWSCINSEMIN-UHFFFAOYSA-N 266.257 0.412 0 50 CCAA C[C@@H](CNc1nnc(C2CC2)o1)N1CCN(C)CC1 95379102 LIVRIAGEQAXRBC-JTQLQIEISA-N 265.361 0.995 0 50 CCAA COc1ncc(C(=O)NC(C)(C)CN2CCOCC2)cn1 426712800 SUCGSLIXZBLAQP-UHFFFAOYSA-N 294.355 0.326 0 50 CCAA CN(C)c1ccc(CCNC(=O)C[C@H]2COCCN2)cc1 97515014 DGSUJSUPJNGHEZ-AWEZNQCLSA-N 291.395 0.790 0 50 CCAA COc1cccc2c1OC[C@H](CNC(=O)CN(C)C)C2 95362838 URAGMQIRFJBSMM-NSHDSACASA-N 278.352 0.924 0 50 CCAA CC(C)CN1CCN(c2nc(C(N)=O)cs2)C[C@H](O)C1 97213218 HRVRSPLPVDYOQI-SNVBAGLBSA-N 298.412 0.381 0 50 CCAA Cn1c(CNCc2cccnc2N)nnc1[C@H]1C[C@H](N)C1 244763790 OVQWMJFJUDAVND-XYPYZODXSA-N 287.371 0.287 0 50 CCAA O=C(N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1)c1cc[nH]n1 244723989 MLPKGLLADKWFJZ-GVXVVHGQSA-N 278.356 0.279 0 50 CCAA CCN(C)C1(CNC(=O)c2cnn[nH]2)CCCC1 534657478 QKUJCZMHQLGNPP-UHFFFAOYSA-N 251.334 0.799 0 50 CCAA O=C(C[C@@H]1CCOC1)N1CCN(C(=O)c2ccco2)CC1 362664162 BQEVNNWEBZNBIU-LBPRGKRZSA-N 292.335 0.991 0 50 CCAA Nc1nc(C(=O)NCCc2noc(C3CC3)n2)cs1 299790703 BWKYIAISOLULRX-UHFFFAOYSA-N 279.325 0.958 0 50 CCAA COCCN(C)CC(=O)NCc1noc(C(C)C)n1 824405748 GABDTHOHUUKIGR-UHFFFAOYSA-N 270.333 0.387 0 50 CCAA Cc1nc(CC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)n[nH]1 585134782 JVNMOZKHZLBTGB-DCAQKATOSA-N 292.339 0.900 0 50 CCAA Cn1c(O)nnc1CCNC(=O)CC1CCCC1 670440820 KKCMITINTPYZJK-UHFFFAOYSA-N 252.318 0.760 0 50 CCAA CN1CC[C@H](NC(=O)C2(N3CCOCC3)CCCCC2)C1 670466584 JZSCFJUKDMLOPR-AWEZNQCLSA-N 295.427 0.842 0 50 CCAA CCn1nc(C)c([C@H](C)NC(=O)Cn2cnnn2)c1C 584898903 MEGCYWHVPHXXGT-QMMMGPOBSA-N 277.332 0.384 0 50 CCAA CCc1[nH][nH]c(=NC(=O)C2CCN(C(=O)NC)CC2)c1C 1875284518 YEKFCNWUXQRRDW-UHFFFAOYSA-N 293.371 0.692 0 50 CCAA CCC(=O)N1CCC[C@@H](NC(=O)c2csc(=N)[nH]2)C1 1875344287 AYCIFFHVEQXACC-MRVPVSSYSA-N 282.369 0.686 0 50 CCAA Cc1nc(Cn2cnc3c(N)[nH]c(=N)nc32)cs1 1875341156 INTFUQJSFGYBOV-UHFFFAOYSA-N 261.314 0.634 0 50 CCAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1N=c1nc[nH]n2cccc12 1875399178 QUVJUZYXSQGWFB-YRGRVCCFSA-N 298.350 0.599 0 50 CCAA CNC1(C(=O)NCCN2CCOC(C)(C)C2)CCC1 888096972 XWVYZWALSDQHRC-UHFFFAOYSA-N 269.389 0.356 0 50 CCAA O=C(NCc1cc[nH]n1)c1cc(N2CCOCC2)ccn1 170603261 VNEXLUWOLJUTLA-UHFFFAOYSA-N 287.323 0.571 0 50 CCAA COc1cncc(C(=O)N2CCCc3n[nH]cc32)n1 280237793 YHMPSBCGSJQNLR-UHFFFAOYSA-N 259.269 0.801 0 50 CCAA CCCCCOCC(=O)N[C@@H]1C(=O)NCC1(C)C 585128072 RCTCKVXQQKYPMQ-LLVKDONJSA-N 256.346 0.834 0 50 CCAA C[C@H](c1nnnn1C)N1CCC[C@@H]1c1cnn(C)c1 189102165 VZXTXTUFLGOHFP-MWLCHTKSSA-N 261.333 0.842 0 50 CCAA NC(=O)N1CC[C@@H](NC(=O)[C@]2(C(=O)O)CC=CCC2)C1 653305516 NYDDRGUIVQIKPC-RNCFNFMXSA-N 281.312 0.067 0 50 CCAA CN1CCC(N2CCC(NC(=O)c3ncc[nH]3)CC2)CC1 667641277 NDVVXECWARGHDY-UHFFFAOYSA-N 291.399 0.698 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CC[C@H](SC)C1 908564023 SYXCWABWQJDRBP-JTQLQIEISA-N 256.371 0.985 0 50 CCAA C[C@H]1CN(C(=O)CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)C[C@@H](C)O1 1506399268 LLYMGVNRXWNGKQ-KRXYVZHUSA-N 293.411 0.304 0 50 CCAA COc1ccc(NC(=O)CN2CCCNS2(=O)=O)cc1 408524920 AFEDRXXGKDLIIQ-UHFFFAOYSA-N 299.352 0.174 0 50 CCAA O=C(N1CC=CC1)[C@]12CNC[C@H]1CN(C1CCCC1)C2 210320879 PTHWQRINYISQMI-BBRMVZONSA-N 275.396 0.849 0 50 CCAA Cc1cccc(N2CCC[C@@H](NS(C)(=O)=O)C2)n1 131443736 OYRGRDRIEWHOAQ-LLVKDONJSA-N 269.370 0.908 0 50 CCAA CCc1ncnc(N2CCN3CCOC[C@@]3(CO)C2)c1F 1616034547 NXMRXAGOYMJFSO-AWEZNQCLSA-N 296.346 0.061 0 50 CCAA Cc1nc(CN2CCN(C[C@H]3CCOC3)CC2)no1 215024411 DNACWIHPUFLLMY-GFCCVEGCSA-N 266.345 0.532 0 50 CCAA CC(C)C(=O)N[C@@H](C(N)=O)c1nnc(-c2ccco2)o1 1775975774 FQAILIQZJOXJBJ-QMMMGPOBSA-N 278.268 0.628 0 50 CCAA CC(=O)N1C[C@H]2C[C@]2(C(=O)N=c2cc3n([nH]2)CCC3)C1 1857527450 LCNUJNXJIDEPRY-YGRLFVJLSA-N 274.324 0.058 0 50 CCAA Cc1nc(-c2nccn2[C@@H]2CO[C@@H]3[C@H](O)CO[C@@H]32)cn1C 1857712109 LDLIFYIJRZWLRI-FDYHWXHSSA-N 290.323 0.292 0 50 CCAA COc1cccc(C)c1C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875248209 DANXGZUNSQRVNQ-DMTCVQMQSA-N 293.319 0.261 0 50 CCAA CCCn1c(=O)c2c(ncn2C)n(CCC)c1=O 2516057 QVAYTZAGDQIWMB-UHFFFAOYSA-N 250.302 0.717 0 50 CCAA in-vitro CC(=O)Nc1nnc(S(=O)(=O)NC(C)(C)C)s1 5160987 XQSQJQIWDZTQCE-UHFFFAOYSA-N 278.359 0.573 0 50 CCAA in-vitro CCCNC(=O)COc1ccc2oc(C(N)=O)nc2c1 585123153 XZANJEGUUJINGR-UHFFFAOYSA-N 277.280 0.832 0 50 CCAA Cn1cc(CN2CCOc3ccccc3[C@@H]2C(=O)O)nn1 903929515 YXPFBSROMVSZML-CYBMUJFWSA-N 288.307 0.835 0 50 CCAA COc1ccc(C)cc1CC(=O)Nc1nnnn1C 904203299 IOXJOZZYGLLXFR-UHFFFAOYSA-N 261.285 0.708 0 50 CCAA CCc1nc(N2C[C@H]3COC[C@@H](C2)C(=O)N3C)ncc1C 1704312553 VAOSYGQTEIPACO-NEPJUHHUSA-N 290.367 0.641 0 50 CCAA O=S(=O)(NCCc1cnoc1)c1cn2c(n1)CCCC2 907384425 PCJSYJBPRSSCJU-UHFFFAOYSA-N 296.352 0.728 0 50 CCAA O=C(CN1CCO[C@@H](C2CCC2)C1)Nc1cccnn1 930711733 JTKFBXQJWJQAQP-GFCCVEGCSA-N 276.340 0.916 0 50 CCAA CC1(C)CC(=O)NCCN1CC(=O)Nc1ccon1 931207226 FCIAYUGEBWMNCH-UHFFFAOYSA-N 266.301 0.214 0 50 CCAA O=C(CCc1ccncc1)N1CCC([C@@H](O)CO)CC1 1772707216 WXHFJGKJFRURDY-AWEZNQCLSA-N 278.352 0.606 0 50 CCAA COCC1(O)CCN(Cc2ccc(C(N)=O)cc2)CC1 270336670 CWXGSXKYMCLORS-UHFFFAOYSA-N 278.352 0.759 0 50 CCAA O=C(NCc1ccc2c(c1)OCCCO2)c1nc[nH]n1 269446868 OSOYUGWKNYZGTR-UHFFFAOYSA-N 274.280 0.896 0 50 CCAA Cc1[nH]ncc1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O 293598625 BREXAOVUINGRIA-GHMZBOCLSA-N 285.369 0.804 0 50 CCAA Cc1cc(C2CN(C(=O)N=c3[nH]ncs3)C2)no1 2325787229 LCQFYLQKRURQHJ-UHFFFAOYSA-N 265.298 0.888 0 50 CCAA N=c1cc(CCNC(=O)[C@H](F)OC(F)(F)F)cc[nH]1 2325804716 KHQMFAVAEOMLMO-MRVPVSSYSA-N 281.209 0.985 0 50 CCAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2cnco2)C1 2356158768 YQCRUTASTHBCNY-HNNXBMFYSA-N 299.334 0.997 0 50 CCAA CCCN(CC(=O)NC)C(=O)OC[C@H]1CCCO1 225834499 DOMQEROODQFMRB-SNVBAGLBSA-N 258.318 0.760 0 50 CCAA CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)NC1=S 100138691 KRNUBJBFBZWLCQ-HJWRWDBZSA-N 259.290 0.696 0 50 CCAA biogenic Cc1ccc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1 51157158 PALMXGBKWJQTIS-NSHDSACASA-N 268.338 0.552 0 50 CCAA O=C(NC[C@@]1(CCO)CCOC1)c1cccnc1S 119004829 ZGNFEODGWPYUPR-CYBMUJFWSA-N 282.365 0.889 0 50 CCAA CCCOCCn1nc([C@H]2CCCNC2)n(CC)c1=O 67855332 SUZXFPNDOKHDKB-LBPRGKRZSA-N 282.388 0.958 0 50 CCAA CCCNC(=O)c1ccc(N2CCCNC(=O)C2)nc1 32593151 SYTAUFSGBBBOQY-UHFFFAOYSA-N 276.340 0.548 0 50 CCAA CO[C@H]1C[C@@H](CO)N(Cc2ccc(CO)cc2)C1 330523504 BIYMCGRLVDLEPV-KBPBESRZSA-N 251.326 0.761 0 50 CCAA C[C@H](N[C@H]1CCN(C)C1=O)C1(N2CCOCC2)CCCC1 126034022 YQPZUDBHIXAIGZ-KBPBESRZSA-N 295.427 0.840 0 50 CCAA COC(=O)c1cc(C(=O)NC[C@@H]2CCCOC2)cn1C 339048555 YUOPSCITTBLSAF-JTQLQIEISA-N 280.324 0.968 0 50 CCAA Cc1csc(CN2CCN([C@@H]3CCNC3)CC2)n1 244718846 LRYLAUIIDPFHGQ-GFCCVEGCSA-N 266.414 0.931 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 128239630 LCXZRXTVYKQTEC-YFKTTZPYSA-N 265.309 0.901 0 50 CCAA Cc1noc(C)c1-c1nc2c([nH]1)[C@H](C(=O)O)NCC2 72407777 CDLQMHKMEGURQR-SNVBAGLBSA-N 262.269 0.953 0 50 CCAA CC1(C)C[C@@H]1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 370976845 UYOYDYYXIBFNFW-HTQZYQBOSA-N 251.290 0.146 0 50 CCAA CCc1n[nH]c([C@@H]2CN(C(=O)c3ccc[nH]3)CCO2)n1 173562193 UVLJOEIBCQSJJT-JTQLQIEISA-N 275.312 0.909 0 50 CCAA CC[C@]1(C)C(=O)NCCN1Cc1cccc(C(=O)OC)n1 71315268 NXFSQGJESVFTSZ-OAHLLOKOSA-N 291.351 0.969 0 50 CCAA CN(C)CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C 285293266 OWXYRSRBCZVCPG-SWLSCSKDSA-N 293.415 0.481 0 50 CCAA Cn1cccc1CN1CCC[C@@](O)(Cn2ccnn2)C1 285400641 GBMIXJBQQJWMBU-AWEZNQCLSA-N 275.356 0.644 0 50 CCAA O=C(CCn1cnnn1)N1CCC[C@H]1c1nccs1 223417771 BBRFMJVENYRWQA-VIFPVBQESA-N 278.341 0.883 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)C1(Cn2ccnc2)CC1 223477347 OTWQDXZJUSTXNL-CHWSQXEVSA-N 293.367 0.974 0 50 CCAA C[C@H](C(=O)N1CC(c2ccccn2)C1)N1CCN(C)CC1 426387786 BUIIIKMJSNBFHL-CYBMUJFWSA-N 288.395 0.643 0 50 CCAA COC(=O)[C@](C)(O)CN=c1cc(C)nc(C2CC2)[nH]1 613332097 SPPWRKHBOITLOF-CYBMUJFWSA-N 265.313 0.420 0 50 CCAA C[C@@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccsc1 49037485 IRSDTTBUWRBLCH-MRVPVSSYSA-N 276.383 0.644 0 50 CCAA Cn1ccnc1[C@@H]1CCCN(CC(=O)N2CCOCC2)C1 82091847 IIHJKTYHTHMVJN-CYBMUJFWSA-N 292.383 0.458 0 50 CCAA CCc1c(C)nc(N)nc1NCc1nncn1CCOC 91987717 VKOYPSNMCCSRJY-UHFFFAOYSA-N 291.359 0.780 0 50 CCAA CC(=O)Nc1ccc(CN2CC[C@](C)(O)[C@@H](O)C2)cc1 96136184 JNWZZXOTUICABP-GJZGRUSLSA-N 278.352 0.963 0 50 CCAA CC(C)(C)OC(=O)NCc1cc(O)nc(CN)n1 521398963 XAQWWROALKDYIZ-UHFFFAOYSA-N 254.290 0.666 0 50 CCAA N[C@]12[C@H]3[C@@H]4[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@]1(Br)C41OCCO1 252427976 MNHATYKLHPXJQR-VJVZXHFHSA-N 270.126 0.326 0 50 CCAA Nc1ccc(O)cc1C(=O)NCCN1CCC[C@@H](CO)C1 828711168 MQRQCDOTPTYARE-LLVKDONJSA-N 293.367 0.409 0 50 CCAA CSCCN1CCN(C(=O)c2ccc(O)cn2)CC1 584899158 LGFOMEMLOVATNM-UHFFFAOYSA-N 281.381 0.908 0 50 CCAA COCC[C@H]1CCCN(C(=O)CSCC(N)=O)C1 670441053 CEFIYJQKEGFKAT-SNVBAGLBSA-N 274.386 0.480 0 50 CCAA COC(=O)N1CCN(c2cncc(OC)c2)CC1 874435597 YULPFJZRVJRVQV-UHFFFAOYSA-N 251.286 0.979 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3C)n1 1875316123 WGIUPUZKLRYJNA-XYYAHUGASA-N 291.399 0.905 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@H](n2cccn2)C1 1875366228 RWIQMKYFQAILQG-LBPRGKRZSA-N 276.340 0.691 0 50 CCAA O=C1Cc2cc(F)ccc2N1CC(=O)N1CC[C@@H]1CO 1875301028 ANHXEDAETLIKOB-LLVKDONJSA-N 278.283 0.308 0 50 CCAA c1nc2n(n1)[C@@H](Cn1cc([C@H]3CCOC3)nn1)CC2 1331885493 ZZAHRMQIAYYXTP-VHSXEESVSA-N 260.301 0.561 0 50 CCAA COC(=O)[C@@H]1CSCCN1CC(=O)NC1CCCC1 887071090 ZQZDZDGYPWISJU-NSHDSACASA-N 286.397 0.636 0 50 CCAA C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](S(C)(=O)=O)C2)O1 407962601 DMCCBLCBXXCIIS-BBBLOLIVSA-N 261.343 0.199 0 50 CCAA CSCCCN1CCN(c2cncc3ncnn23)CC1 276639610 XPSLIGHTKRJFKB-UHFFFAOYSA-N 292.412 0.999 0 50 CCAA CC(C)(C)[C@@H]1CCN(CC(=O)N=S(C)(C)=O)C[C@H]1O 585117034 PMHGJQTZPYKISU-GHMZBOCLSA-N 290.429 0.970 0 50 CCAA CC1(C)CNC(=O)[C@H]1NC(=O)N=c1ccc(C2CC2)n[nH]1 585120175 YILCLPWFCWZPAQ-LLVKDONJSA-N 289.339 0.422 0 50 CCAA CS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 192237198 SVWOSQBAFGVUNX-CQSZACIVSA-N 298.408 0.827 0 50 CCAA N[C@H]1CCCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 195113484 STELFMBSCURUCT-JTQLQIEISA-N 275.308 0.581 0 50 CCAA Cc1cc(C)cc([C@H](O)CN2CC[C@H](S(N)(=O)=O)C2)c1 772228381 WOSJLLOMDHYZHK-UONOGXRCSA-N 298.408 0.700 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCc2ccccn2)CC[C@@H]1O 1704314436 ZLBSIPRKCLHCDJ-KGYLQXTDSA-N 264.325 0.874 0 50 CCAA Cc1nc(N(C)C)nc(N2CCO[C@H](C(=O)O)C2)c1C 1704309296 QFWZMKZLTUWNQW-JTQLQIEISA-N 280.328 0.449 0 50 CCAA COCCN(C(=O)NCc1ncccn1)[C@H]1CCOC1 1615556538 PUSYJMCXTINZCS-NSHDSACASA-N 280.328 0.424 0 50 CCAA Cn1nccc1[C@@H]1CN(C(=O)C2(N)CCCCC2)C[C@H]1N 1615592409 TUDSBRVRTWRBDT-VXGBXAGGSA-N 291.399 0.335 0 50 CCAA CCNC(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 1616034197 HQPDOHFBWOAOMS-NSHDSACASA-N 266.345 0.943 0 50 CCAA CCOC(=O)N1CCN(c2ncc3cn[nH]c3n2)CC1 1857676292 DYYGRXCYMMQLBY-UHFFFAOYSA-N 276.300 0.631 0 50 CCAA CC(C)(O)CCN1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857699574 UDXAMTBOHKPDRF-SMDDNHRTSA-N 270.373 0.110 0 50 CCAA COCc1cc(Cl)cc(S(=O)(=O)NCC(=O)O)c1 262259189 DJEANLOGEKLYEY-UHFFFAOYSA-N 293.728 0.849 0 50 CCAA O=C(CCC(F)(F)F)N1C[C@@H]2CNC[C@@]2(CO)C1 1772701053 HCUPORQSVKWQCA-WPRPVWTQSA-N 266.263 0.369 0 50 CCAA COc1nccnc1N1CCOC2(CCN(C)CC2)C1 1772816125 JGWSVYNHLLDAOE-UHFFFAOYSA-N 278.356 0.786 0 50 CCAA CN(C)CCN1C(=O)C(=O)N(c2ccccc2)C1=O 5668177 QVTGCYSYBDSSOF-UHFFFAOYSA-N 261.281 0.543 0 50 CCAA COCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)CCC3 19818731 KOEWVZHKFZCBFW-UHFFFAOYSA-N 289.291 0.250 0 50 CCAA NC(=O)C1CCN(CN2C(=O)c3ccccc3C2=O)CC1 19972542 HFOVSOIFHBUJNT-UHFFFAOYSA-N 287.319 0.437 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(C)(CO)C3)n[nH]c21 1857527405 DHZZXJKBCORVFF-BDAKNGLRSA-N 279.340 0.886 0 50 CCAA COc1ncc(-c2nccn2C[C@@H]2CC(=O)N(C)C2)cn1 1857672088 JCDQKWUHCKSUBJ-SNVBAGLBSA-N 287.323 0.827 0 50 CCAA NC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cn1 123404595 UBTIPAVJIVATKK-BDAKNGLRSA-N 266.276 0.996 0 50 CCAA Cc1ccc(CN2CCO[C@@H](Cn3ccnn3)C2)cn1 639856735 VQZRQAMQAVLAEB-CQSZACIVSA-N 273.340 0.883 0 50 CCAA O=C(NCCc1ncc[nH]1)[C@@H]1NCCOc2ccccc21 1646741987 JYNNUHFSIOEPKF-CQSZACIVSA-N 286.335 0.792 0 50 CCAA Cc1ccnc(CN2CCN(c3n[nH]c(C)n3)CC2)n1 931628259 YOWSEIUYJHADPR-UHFFFAOYSA-N 273.344 0.534 0 50 CCAA C[C@H](CNC(=O)c1cccc2c1CCOC2)S(N)(=O)=O 935182529 IOKRNYGOPSWQMX-SECBINFHSA-N 298.364 0.166 0 50 CCAA O=C(COCc1ccccc1)N1CCC[C@@](O)(CO)C1 220643659 YMNKECACXSUSRT-HNNXBMFYSA-N 279.336 0.549 0 50 CCAA CC(C)c1n[nH]c([C@H]2CN([C@H]3CCOC3=O)CCO2)n1 257366029 GPXNALNLDSIBOA-VHSXEESVSA-N 280.328 0.617 0 50 CCAA COC[C@@H](C)S(=O)(=O)NC1CCC(C(=O)O)CC1 262467654 TYFQLEQADILCIQ-XNWIYYODSA-N 279.358 0.584 0 50 CCAA CCc1occc1C(=O)N[C@@H]1CCO[C@@H]1C(=O)O 659172940 PPOUSOPVNGDXMU-SCZZXKLOSA-N 253.254 0.814 0 50 CCAA COc1ccc(S(=O)(=O)NCC(=O)O)cc1OC 470548 FMMNLVAUUSTYQG-UHFFFAOYSA-N 275.282 0.067 0 50 CCAA COc1ccc(CN2C(=O)N[C@@H](CCC(=O)O)C2=O)cc1 8764824 RYXFIOOGKNWBIR-NSHDSACASA-N 292.291 0.980 0 50 CCAA biogenic OC[C@@H]1C[C@H](F)CN1Cc1nnn(CC(F)(F)F)n1 346387140 XGVWJHHFNHXRLW-BQBZGAKWSA-N 283.229 0.140 0 50 CCAA O=C(O)C1(n2cccn2)CCN(c2ncccn2)CC1 72411338 PFIJDGFNIXBWDJ-UHFFFAOYSA-N 273.296 0.753 0 50 CCAA Cc1cnc(NCCN(C)S(C)(=O)=O)nc1N(C)C 65371758 WUBRLIDZFMTQKX-UHFFFAOYSA-N 287.389 0.154 0 50 CCAA NC(=O)c1cncc(N2CCC(CN3CCCC3)CC2)n1 301543169 WBJLPJFQKGCODC-UHFFFAOYSA-N 289.383 0.888 0 50 CCAA Cc1noc(C)c1-n1c([C@@H]2CC(=O)N(C)C2)n[nH]c1=O 65432395 ICRIWBWKWQEJNJ-MRVPVSSYSA-N 277.284 0.111 0 50 CCAA c1ccc([C@H](Cn2cnnc2)N2CCOCC2)nc1 65422279 CJJYQRUGLOIVCE-ZDUSSCGKSA-N 259.313 0.747 0 50 CCAA c1cnn(CCNc2nccc(N[C@H]3CCCOC3)n2)c1 328648024 UGOFNSFEOUZHHK-LBPRGKRZSA-N 288.355 1.376 0 50 CCAA CCn1nccc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 328631578 KROYFNWBYPMKAP-SNVBAGLBSA-N 290.327 0.722 0 50 CCAA C[C@@]12CCCN1C(=O)N([C@H]1CCN(C3CC3)C1=O)C2=O 253630306 ZOHGBCPODKYNCW-HZMBPMFUSA-N 277.324 0.566 0 50 CCAA Cc1noc(COCC(=O)N2CCC[C@H](C(=O)O)C2)n1 261911838 YFTPVRAOJINOPG-VIFPVBQESA-N 283.284 0.218 0 50 CCAA CN(C)S(=O)(=O)c1ccc(Cn2ccnn2)cc1 128018239 INLROBHKXYOSIN-UHFFFAOYSA-N 266.326 0.577 0 50 CCAA CCc1ccccc1CC(=O)N1CCC[C@@](O)(C(N)=O)C1 284821194 BZDRYYNTWRHOFY-INIZCTEOSA-N 290.363 0.630 0 50 CCAA Cc1cc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)on1 285309702 STLRDHNXSCNGAM-BXUZGUMPSA-N 289.339 0.778 0 50 CCAA Cc1nccn1[C@H](C)C(=O)NC1CCS(=O)(=O)CC1 426573293 PBSAGZXJMJPQAA-SECBINFHSA-N 285.369 0.446 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H]2CCO[C@@H]21 223369354 IWPCULTYOJHPTB-IMIFBBOLSA-N 292.335 0.870 0 50 CCAA CC[C@H](NC(=O)c1cnc(N)nc1C)[C@H]1C[C@H](O)C1 223177288 BPTIUOOCTVLDFX-NGZCFLSTSA-N 264.329 0.647 0 50 CCAA CCN1C[C@H](CNC(=O)N(C)Cc2ncc[nH]2)CC1=O 426498773 VLCADVZFKAUDMC-JTQLQIEISA-N 279.344 0.420 0 50 CCAA Cc1cc(C)n([C@@H](C)CNC(=O)c2[nH]cnc2C(=O)O)n1 97553270 ZIFPGTOFUFUVMQ-VIFPVBQESA-N 291.311 0.912 0 50 CCAA c1cnc(NCc2nc(-c3ncccn3)no2)nc1 91650131 KWHUXOLJRRRHBO-UHFFFAOYSA-N 255.241 0.929 0 50 CCAA COCc1ncc(CN2C[C@H](N(C)C)C[C@H]2C(=O)O)cn1 97499494 WMIAGPBJZJJTPL-NEPJUHHUSA-N 294.355 0.212 0 50 CCAA CCN1CCC[C@@](C)(C(=O)NCCc2cc(=O)[nH]cn2)C1 95353728 ZFIQPKNKCHAWLH-OAHLLOKOSA-N 292.383 0.551 0 50 CCAA Cc1occc(=O)c1OCC(=O)N[C@@H]1CCC[C@H]1O 822329167 VKCISUNUTQRCKN-NXEZZACHSA-N 267.281 0.357 0 50 CCAA Cc1ccc(C)c(S(=O)(=O)NCCc2nc(N)n[nH]2)c1 534632399 DOLRQVUKYGXZBR-UHFFFAOYSA-N 295.368 0.525 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)c1c[nH]c(=O)cn1 584900863 DJKBBOVHKHHJGW-SECBINFHSA-N 261.285 0.175 0 50 CCAA COc1nc(NCCCN2CCC[C@H](O)C2)ncc1F 670461658 UHZHAXHBASKBNC-JTQLQIEISA-N 284.335 0.883 0 50 CCAA Cc1nccn1CC[C@@H](C)NCCc1noc(CO)n1 670450473 YZRMGZMCNREIGV-SNVBAGLBSA-N 279.344 0.678 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)c1cccc(Cl)n1 1548448058 JTAHPWYQACXBKY-DTWKUNHWSA-N 255.705 0.452 0 50 CCAA CNC(=O)[C@@]12CCOC[C@H]1CN(c1ncc(Cl)cn1)C2 952852386 HTHAFHMGVPBRCN-NOZJJQNGSA-N 296.758 0.719 0 50 CCAA O=C(N1CCC(c2nnc(O)o2)CC1)[C@@]12COC[C@@H]1C2 1875266835 FHSVMKAORRZWJP-ZANVPECISA-N 279.296 0.518 0 50 CCAA N=c1ccc2c(N3CC[C@]4(CCNC4)C3)ncnc2[nH]1 1875281985 ISFMEGNBNPOXFF-AWEZNQCLSA-N 270.340 0.627 0 50 CCAA COCCn1ncc(C(=O)N2C[C@H]3CCC[C@@]3(N)C2)c1C 876985562 RQQYCOVCMWGSNT-IUODEOHRSA-N 292.383 0.791 0 50 CCAA Cc1[nH]ccc1C(=O)N1CC(O)(Cc2cc[nH]n2)C1 1875320382 AXELMBZGCGTPEV-UHFFFAOYSA-N 260.297 0.476 0 50 CCAA O=C(NOC[C@H]1CCOC1)[C@@H]1CSCCS1 788576368 UVMGTNYGJHIISS-IUCAKERBSA-N 263.384 0.919 0 50 CCAA Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1cncc(O)c1 886275067 MKRPHSRXLUVRGA-VXGBXAGGSA-N 272.308 0.941 0 50 CCAA CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ncc(F)cn1 269530725 YOPLZXDUVMQAKC-WPRPVWTQSA-N 288.348 0.746 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]2CCN[C@H]2C1 1565529062 KEFCBAZQCMFPPP-MNOVXSKESA-N 284.385 0.019 0 50 CCAA O=C(Cc1ccsc1)NS(=O)(=O)[C@H]1CCCOC1 408405093 BQWQKLHQYAFIBK-JTQLQIEISA-N 289.378 0.916 0 50 CCAA O=C(O)Cn1cc(I)ccc1=O 86788164 VXTPGDPVBSTJKR-UHFFFAOYSA-N 279.033 0.538 0 50 CCAA O=C(CN1CCO[C@@H](CO)C1)NC1CCCCCCC1 170022461 WFQUMRNVIHEMLD-CQSZACIVSA-N 284.400 0.909 0 50 CCAA Cc1c[nH]cc1C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 585087601 QPTFTUZQBXKXHZ-UTUOFQBUSA-N 260.297 0.624 0 50 CCAA CO[C@H]1COCC[C@H]1CN1C(=O)NC2(CCCC2)C1=O 569823654 LFAVBCUHBVVLCB-QWRGUYRKSA-N 282.340 0.903 0 50 CCAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)NCCC(=O)O 1506422690 BSUUAIUJMJZWRL-SNVBAGLBSA-N 285.344 0.504 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704298712 CLENNMSPFOJWPE-NEPJUHHUSA-N 287.323 0.496 0 50 CCAA O=C([C@H]1NCCOc2ccccc21)N1CCn2cnnc2C1 1615615885 TVOWGHDWZVHNKZ-AWEZNQCLSA-N 299.334 0.344 0 50 CCAA O=C(O)Cc1ccc(CN2CCOC[C@@H](C(=O)O)C2)cc1 1775981979 KYXWGYRYGHYXHG-ZDUSSCGKSA-N 293.319 0.847 0 50 CCAA Cc1cccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)n1 1857713109 XWJAOFKUPUGMNK-XQQFMLRXSA-N 275.352 0.981 0 50 CCAA Cc1noc([C@H]2CN(C(=O)C3(O)CCCC3)CCN2C)n1 408034519 FZLZSXJLIOPVHR-LLVKDONJSA-N 294.355 0.498 0 50 CCAA CN(CC(C)(C)O)S(=O)(=O)c1cnn2c1OCCC2 408228177 WFLWRUSIJLMEKW-UHFFFAOYSA-N 289.357 0.057 0 50 CCAA CC[C@@H](NC(=O)CCn1cnc2c(N)ncnc21)[C@H](C)O 615859401 HCWOZSCRJKYCEQ-DTWKUNHWSA-N 292.343 0.074 0 50 CCAA Cc1ccc(F)c(OCC(=O)N2CCOC[C@H]2C(=O)O)c1 262193957 RLCQJUVQPDXKLW-NSHDSACASA-N 297.282 0.825 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CCCO[C@@H](C)C2)n1 824700711 KOMCCTNZRNORAV-JTQLQIEISA-N 281.360 0.927 0 50 CCAA c1cn([C@@H]2CCCN(c3nccn4cnnc34)CC2)nn1 829083527 DXSGUJDWQTXREI-LLVKDONJSA-N 284.327 0.947 0 50 CCAA CC(=O)N1CCO[C@@H](C(=O)N2CCOc3ccncc32)C1 934249423 KJSHYKFEWYXFFQ-CYBMUJFWSA-N 291.307 0.054 0 50 CCAA COCC[C@H]1CN(Cc2cccnc2N)CCO1 216490404 DLVRWJNTFFCKLB-LBPRGKRZSA-N 251.330 0.901 0 50 CCAA CN1CCO[C@H]2CCN(c3ncnc(N)c3Cl)C[C@H]21 253394852 XMKFLQZSFIZZMS-BDAKNGLRSA-N 283.763 0.622 0 50 CCAA CN(CCN1CCCC1)C(=O)CCc1cn[nH]c1 629957460 IWKQLXACMPHIRV-UHFFFAOYSA-N 250.346 0.897 0 50 CCAA COc1ccnc(C(=O)N[C@@H](C)[C@@H](C)C(=O)O)c1 648336296 IBDNYPQXKUBFOI-SFYZADRCSA-N 252.270 0.929 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)CCOCC(F)(F)F 393523588 VYHBQMWEBYMZAK-YUMQZZPRSA-N 282.262 0.739 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@H]1CCCN1c1ncccn1 2325733498 UVJCVIDMDHHNIN-WDEREUQCSA-N 278.312 0.282 0 50 CCAA CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC 351113 GVLFQSNUEUNJQS-UHFFFAOYSA-N 268.342 0.566 0 50 CCAA COc1ccc(N(CC(=O)O)S(C)(=O)=O)cc1 4689393 OFLIZXZYANCGDO-UHFFFAOYSA-N 259.283 0.546 0 50 CCAA COCCNS(=O)(=O)c1cc(OC)c(C)cc1OC 6702383 VVISDOQIYSQMIL-UHFFFAOYSA-N 289.353 0.937 0 50 CCAA C[C@H](O)[C@H](C)S(=O)(=O)[C@H](C)C(=O)N1CCCCC1 246208797 OQMDAUOGRJDKQC-GARJFASQSA-N 277.386 0.572 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)NCC(F)(F)CO 346549426 BUUUHKRNLCYHIT-IUCAKERBSA-N 251.273 0.935 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2cnnn2C)C1 347895594 DHGPWNCEIJSMOE-JSGCOSHPSA-N 279.388 0.500 0 50 CCAA CN1CC[C@@](C)(CN(C)C(=O)NCCC(=O)O)C1 1506408444 SCIJXWLMDGDVGR-GFCCVEGCSA-N 257.334 0.444 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1 331483783 XPOOJTVGXPUIHL-RFQIPJPRSA-N 284.400 0.715 0 50 CCAA Cn1ncn(CC(=O)c2ccc3c(c2)CCO3)c1=O 332280950 WODGNIRCOSGAFO-UHFFFAOYSA-N 259.265 0.400 0 50 CCAA CC(C)N(C)CC(=O)N1CCO[C@@H](CN(C)CC2CC2)C1 328655574 YMFURVJPPJDPBK-HNNXBMFYSA-N 297.443 0.896 0 50 CCAA CC[C@@H](N)C(=O)N1CCC[C@H](Cn2ccnn2)C1 152910962 LUVHHPRUENYUPY-WDEREUQCSA-N 251.334 0.254 0 50 CCAA O=C1CCCN1C[C@@H](O)CN1CCc2ccnc(O)c2C1 369604221 RVYHFZCOGJVJGH-LBPRGKRZSA-N 291.351 0.129 0 50 CCAA Cc1cc[nH]c1C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 284598888 HPSFJUIJRCDUHL-VXGBXAGGSA-N 263.341 0.868 0 50 CCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccccc1O)C2 72168513 FPXMQSGNLVYKQB-UHFFFAOYSA-N 285.303 0.982 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)NCC1=CCNCC1 263160812 YQPXKYKJRCDBBA-AAEUAGOBSA-N 268.357 0.606 0 50 CCAA Cc1cccnc1CN1CC[C@@](O)(c2c[nH]nn2)C1 285508589 NLYGZSZRHCGZOQ-ZDUSSCGKSA-N 259.313 0.602 0 50 CCAA COc1ccc(-c2cc3n(n2)[C@H](O)CNC3=O)cc1 85397323 SAGGPXOYKDVMQL-GFCCVEGCSA-N 259.265 0.793 0 50 CCAA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)C1CC=CC1 220676630 PDWFVLNYGNMZKY-ZIAGYGMSSA-N 282.384 0.805 0 50 CCAA C[C@@H](NC(=O)Cn1ccccc1=O)c1nc(C2CC2)no1 426537462 JLGIRBOWYFXAGB-SECBINFHSA-N 288.307 0.986 0 50 CCAA CC[C@@H](NC(=O)C(C)(C)NC(C)=O)c1ncnn1C 426411278 JDSPQESWVXGVOJ-SECBINFHSA-N 267.333 0.297 0 50 CCAA Cc1nn(C)cc1CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 426372514 UUCPJXCWINTJIL-JTQLQIEISA-N 285.369 0.122 0 50 CCAA O=C(NCCc1ccccc1)N[C@@H]1CCNC[C@H]1O 426419953 CEXHBGIOICHFHT-CHWSQXEVSA-N 263.341 0.251 0 50 CCAA CN1CCN(CC(=O)NCCc2nccs2)C1=O 426697321 KRBDMDJKCUBKCD-UHFFFAOYSA-N 268.342 0.169 0 50 CCAA CSCC[C@H](Nc1ncncc1CC(=O)O)C(=O)O 95389036 RWCVAWPQFOYLRA-QMMMGPOBSA-N 285.325 0.722 0 50 CCAA NC(=O)C1(O)CCN(c2ccnc(-c3ccccc3)n2)CC1 293030216 JVTRNBSTVCIMPS-UHFFFAOYSA-N 298.346 0.960 0 50 CCAA CN1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 96140121 ZJZIPLGTXFALHF-UHFFFAOYSA-N 292.431 0.372 0 50 CCAA Cc1nc2c(c(NCCCS(N)(=O)=O)n1)CCCC2 267956033 KUZYNXFEBVOKLN-UHFFFAOYSA-N 284.385 0.754 0 50 CCAA O=C(CN1CCOCC1)N1C[C@H](CO)c2ccccc21 293886685 KFLVKXOHVGAYKW-GFCCVEGCSA-N 276.336 0.441 0 50 CCAA CC(C)=CC[C@]1(CO)CCCN(C(CO)CO)C1 91754987 OSAOCGCEMCVXIU-CQSZACIVSA-N 257.374 0.770 0 50 CCAA COCC(=O)N[C@H](c1cncc(OC)c1)[C@H]1C[C@@H](O)C1 244873419 WQAMESJZOAXETQ-PXWWUCIGSA-N 280.324 0.665 0 50 CCAA O=C1CCCN1CCN1CCOc2ccc(CO)cc2C1 252482433 DFGIWQYWLHVMSK-UHFFFAOYSA-N 290.363 0.996 0 50 CCAA CCCOCCS(=O)(=O)N[C@H](C)[C@H]1COCCO1 2325803793 BMUUVPGLTQRKIF-GHMZBOCLSA-N 281.374 0.136 0 50 CCAA CC(C)c1nnc([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)o1 299759052 NACYDRJQPFDOIC-MRVPVSSYSA-N 291.311 0.778 0 50 CCAA O=C(Cc1cccc(F)c1)NC[C@H]1C[C@@H](C(=O)O)C[C@H]1O 585134979 RLFQSYGOBZTTSW-NQBHXWOUSA-N 295.310 0.956 0 50 CCAA COCc1nnc(N2C[C@H](C(=O)O)CC2=O)s1 585122788 JHAOZMKNZSEONT-RXMQYKEDSA-N 257.271 0.122 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)O[C@@H]2C)C[C@H](C(=O)O)O1 630198991 DXJXLWYXWRBWCZ-MVCUBJFGSA-N 271.313 0.500 0 50 CCAA CCCNC(=O)CN1CCC(CN=S(C)(C)=O)CC1 952877723 TUBIEUFPWBDCST-UHFFFAOYSA-N 289.445 0.952 0 50 CCAA CCN(CC)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 32611720 GGMCRJCGBGRIKC-JTQLQIEISA-N 262.375 0.526 0 50 CCAA CC[C@@H](NC(=O)c1c[nH]nc1-c1ccn(C)n1)[C@@H](C)O 1875301310 KALHJSFBGGQNKM-PSASIEDQSA-N 277.328 0.699 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1C[C@@H](N)C2(CCC2)C1 1775962421 KDLSWSLWZSGSKL-SNVBAGLBSA-N 284.385 0.230 0 50 CCAA COC(=O)Cc1ccc(CNC(=O)COCC(=O)O)cc1 1574069663 JVXAKMNVOHRTAW-UHFFFAOYSA-N 295.291 0.120 0 50 CCAA CC(C)(C)OC(=O)N1CC2(CC(=O)N[C@@H]2C(=O)O)C1 91303604 GACUCUWAYVAYIW-MRVPVSSYSA-N 270.285 0.197 0 50 CCAA in-vitro NS(=O)(=O)c1ccccc1N1CC[C@@H](n2cccn2)C1 631279832 TUQISVYTRDPAER-LLVKDONJSA-N 292.364 0.982 0 50 CCAA Cc1nocc1S(=O)(=O)N[C@H](C)c1cnn(C)c1 632024195 GMJQVXNFTVEBQG-SSDOTTSWSA-N 270.314 0.756 0 50 CCAA CNC(=O)[C@@H](CO)Nc1nccc(C(F)(F)F)n1 170086200 UWNIHAOVDORDNU-RXMQYKEDSA-N 264.207 0.014 0 50 CCAA CCN(CC)[C@@H]1CCN(C(=O)[C@@]2(C)CCN(C)C2=O)C1 635627571 RXCHMRQGJKDEIC-DOMZBBRYSA-N 281.400 0.798 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cn2cccnc2n1 643763925 LCTLMPZCLVRTQE-CQSZACIVSA-N 289.339 0.196 0 50 CCAA COc1cc(C)nc(N[C@@H]2C[C@H](C(=O)O)C[C@@H]2O)n1 662895881 IIHUEYISTIBUJL-YIZRAAEISA-N 267.285 0.430 0 50 CCAA O=C(O)CN1CCN(C2CSCCSC2)CC1=O 1506414253 PXAGFXQCDRCGPE-UHFFFAOYSA-N 290.410 0.064 0 50 CCAA CN1CCC[C@]2(C(=O)O)CCN(Cc3nccn3C)C[C@@H]12 1529134066 ZMIWMVJAVLUMHJ-DOMZBBRYSA-N 292.383 0.791 0 50 CCAA CC(C)N1CCCN(C(=O)Cc2cc(O)nnc2O)CC1 1529144031 DIEMYTWCKSMGHL-UHFFFAOYSA-N 294.355 0.373 0 50 CCAA CCOc1cccc(CC(=O)N2C[C@@H]3CC[C@]3(N)C2)n1 1615548626 YIPMCPVQTWXXBT-NHYWBVRUSA-N 275.352 0.973 0 50 CCAA CN1C(=O)COC12CCN(C(=O)CCn1cccc1)CC2 1615590527 LCJOTJKPHSHVPH-UHFFFAOYSA-N 291.351 0.686 0 50 CCAA CCOc1cc(C(=O)NC2(C(=O)O)CCOCC2)ccn1 1615627226 ATDXWGHUAOAFBB-UHFFFAOYSA-N 294.307 0.844 0 50 CCAA CC[C@@H](C(=O)O)N1CCCN(C(=O)c2cc(C)on2)CC1 1772813111 WKKAHHHQHZMBBP-LBPRGKRZSA-N 295.339 0.994 0 50 CCAA Cc1nc[nH]c1CC(=O)N1CCN(C)C2(CCOCC2)C1 1775980541 ZBQFYWQBNAEOFS-UHFFFAOYSA-N 292.383 0.584 0 50 CCAA N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc2c(c1)OCO2 237906038 NZNZGTYGIAHJBU-GHMZBOCLSA-N 298.364 0.964 0 50 CCAA C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[C@@H](C3CC3)O2)O[C@H]1C(=O)O 907866546 IXHFNNGKPULMEK-KABOQKQYSA-N 297.351 0.938 0 50 CCAA Cc1ccc(CNC(=O)CC2(O)CCOCC2)n1C 1120502671 DXAYSNLXIUTGAV-UHFFFAOYSA-N 266.341 0.881 0 50 CCAA O=C(CN1CCC[C@@H]1c1ccccn1)N1CCNCC1 72169408 GGFRPYOIVKPRGT-CQSZACIVSA-N 274.368 0.650 0 50 CCAA CCc1nc(C)c(C(=O)N2CCOC[C@@H](O)C2)o1 77470204 VKGLQAJHUHLTJZ-VIFPVBQESA-N 254.286 0.379 0 50 CCAA COCc1cc(CNC(=O)[C@@H](N)C(C)(C)SC)[nH]n1 2100547563 KVRARNBJVGDBGT-SNVBAGLBSA-N 286.401 0.641 0 50 CCAA Cn1cncc1CNC(=O)N=c1nc(C2CC2)[nH]s1 2325757087 FIAYNKFVAPIKEJ-UHFFFAOYSA-N 278.341 0.893 0 50 CCAA CCCn1nnnc1CN1CCc2nc(O)ccc2C1 2325771937 CMOIUXJZCNDAGK-UHFFFAOYSA-N 274.328 0.742 0 50 CCAA Cc1cnc(N(C)C(=O)c2cn(C3COC3)nn2)s1 2325783273 JWHYSRZCKMYURF-UHFFFAOYSA-N 279.325 0.891 0 50 CCAA NC(=O)c1ccccc1NC(=O)CCCC(=O)O 399201 ZQGNYADTFOYSRY-UHFFFAOYSA-N 250.254 0.979 0 50 CCAA O=C(NCCNC(=O)c1cccnc1)c1cccnc1 1582115 RHJVAHPSSQKDOI-UHFFFAOYSA-N 270.292 0.636 0 50 CCAA COc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1C 2862184 AKACTCIYVWBVAG-UHFFFAOYSA-N 272.326 0.109 0 50 CCAA O=C(O)[C@H]1O[C@@H](C(=O)O)[C@H]2[C@H]1C(F)(F)C2(F)F 4159834 ZBYYITGKQLENSW-AJSXGEPRSA-N 258.123 0.440 0 50 CCAA Cc1ccc(S(=O)(=O)N=S2(=O)CCNCC2)cc1 225504117 YVEPZVOOGBUACQ-UHFFFAOYSA-N 288.394 0.755 0 50 CCAA COCCCn1ccc2c(cnc3nc(C)nn32)c1=O 9290529 JMSOTHXPCUPESF-UHFFFAOYSA-N 273.296 0.784 0 50 CCAA Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@H]3O2)c1 101357440 BMZYEQKNCJNHEB-JXFSHQFZSA-N 285.299 0.800 0 50 CCAA Cn1cc(C(=O)O)c(I)n1 114309333 HABVPNAKDPNEEK-UHFFFAOYSA-N 252.011 0.723 0 50 CCAA CO[C@H]1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C1 408346635 SZKOYIYXAMBFCQ-LBPRGKRZSA-N 283.372 0.627 0 50 CCAA CO[C@H](C(=O)N(C)C1CCN(C)CC1)c1cnn(C)c1 281180310 LSGZDUXIMOQRQS-ZDUSSCGKSA-N 280.372 0.660 0 50 CCAA CCN(CC)c1ncccc1CNC(=O)Cn1ncnn1 67674094 LHTIOLSUAHAQEG-UHFFFAOYSA-N 289.343 0.231 0 50 CCAA CC1(C)CCN(C(=O)COC(F)F)CCS1(=O)=O 331932207 HQHZRDIFHLWEHU-UHFFFAOYSA-N 285.312 0.651 0 50 CCAA COC[C@H](NC(=O)Cc1cccnc1)c1ccnn1C 67881856 CQVHIDHSAGYHQQ-LBPRGKRZSA-N 274.324 0.862 0 50 CCAA C[C@H]1C(=O)N(C)CCN1C(=O)COCc1ccccc1 67649478 FELQYAXJWDFVCP-LBPRGKRZSA-N 276.336 0.892 0 50 CCAA CON(C)C(=O)CCN1CCN(c2nccs2)CC1 253415700 HKTRKVIQXMKXMF-UHFFFAOYSA-N 284.385 0.675 0 50 CCAA CNS(=O)(=O)c1cncc(Br)c1 38537123 SNFZSCOGEYEYJG-UHFFFAOYSA-N 251.105 0.752 0 50 CCAA O=C(CNC(=O)C1(C(=O)O)CC1)NC1CCCCC1 154837578 XIDUVXWHONJGNZ-UHFFFAOYSA-N 268.313 0.416 0 50 CCAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1 72143114 RYKOIDJRNANACO-AWEZNQCLSA-N 272.308 0.847 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 219617201 POTNHTJHQBBRMZ-GIPNMCIBSA-N 287.323 0.750 0 50 CCAA C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCNC(=O)CC1 372352405 XSWHZCBLQOUGGC-LLVKDONJSA-N 292.335 0.295 0 50 CCAA CCc1[nH]ccc1C(=O)N[C@@]1(C(N)=O)CCCOC1 376116312 PHNZSSCBFXLFCY-ZDUSSCGKSA-N 265.313 0.341 0 50 CCAA O[C@@]1(Cn2ccnn2)CCCN(Cc2cc[nH]n2)C1 284430138 APIJNSTZGOIHKQ-LBPRGKRZSA-N 262.317 0.028 0 50 CCAA COc1nc(C)nc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1C 284669359 WZUCEJDURAVILY-MNOVXSKESA-N 291.355 0.704 0 50 CCAA C[C@@H]1CCc2c(C(=O)N[C@@H](CO)C(N)=O)csc2C1 286502776 WDUYTRCKRWZBGM-XCBNKYQSSA-N 282.365 0.449 0 50 CCAA O=C(CCc1ccsc1)N[C@@H]1CCOC[C@H]1O 222573649 BZYVUNSLCHYJRG-GHMZBOCLSA-N 255.339 0.947 0 50 CCAA CCN(Cc1cnn(C)c1)C(=O)[C@@H]1CCNC(=O)C1 178047755 HPXXYTGPLZOVNX-LLVKDONJSA-N 264.329 0.295 0 50 CCAA CC(C)c1nc(CN2CCN3CCN(C)C(=O)[C@H]3C2)co1 225332782 OOLUJOALWVRJIM-CYBMUJFWSA-N 292.383 0.756 0 50 CCAA CN1CCCC[C@H]1CC(=O)NCCc1ncc[nH]1 426705663 JDYCKWUSIROOCX-NSHDSACASA-N 250.346 0.943 0 50 CCAA CN(Cc1cccnc1)C(=O)[C@@H]1CCc2nnn(C)c2C1 289700845 FMBGOSKWLJQGJS-GFCCVEGCSA-N 285.351 0.974 0 50 CCAA O=C(CCCn1cccn1)N1CC[C@@]2(CCCNC2=O)C1 92064768 RFQHXKKHTVOSGW-HNNXBMFYSA-N 290.367 0.792 0 50 CCAA COCCN1CCC[C@H]1CNCc1cncn1C 237094980 MKONZMJPGUTWOS-LBPRGKRZSA-N 252.362 0.621 0 50 CCAA CS(=O)(=O)c1ccc(C=O)c(S(C)(=O)=O)c1 146821776 RYNVNUQDJIJRKV-UHFFFAOYSA-N 262.308 0.306 0 50 CCAA O=C(O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 521398708 MFOJSXRKNQFBTO-IONNQARKSA-N 250.172 0.882 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 299753311 XTNGUVGYAIOOHC-NXEZZACHSA-N 277.276 0.795 0 50 CCAA CC(C)[C@@H](NS(=O)(=O)N(C)C)c1nccn1C 534658832 YTZWFLUKNPOMKK-SECBINFHSA-N 260.363 0.513 0 50 CCAA CC(C)Cc1cc(CNC(=O)[C@H]2CNCCO2)on1 534577173 HYXSKMOCHXZTBL-GFCCVEGCSA-N 267.329 0.478 0 50 CCAA CC(C)N1C[C@H](CNC(=O)CCc2nncn2C)CC1=O 299758924 FNRMVPFIZYKBHY-NSHDSACASA-N 293.371 0.121 0 50 CCAA CN1CCCCC[C@H]1c1nc(CC(N)=O)nn1CCCO 828754135 CBAQSPQTOITVOR-NSHDSACASA-N 295.387 0.235 0 50 CCAA CCCn1cnnc1[C@H](C)NS(=O)(=O)N(C)C 823031048 VAVDKNHHHHYOQV-QMMMGPOBSA-N 261.351 0.145 0 50 CCAA CN1CCC(C)(C(=O)NC2CCS(=O)(=O)CC2)CC1 823759491 OEHQFPOXQCOLMN-UHFFFAOYSA-N 288.413 0.412 0 50 CCAA CN(C)C1=NC2(CCN(Cc3cncs3)CC2)C(=O)N1 670474085 FUQXMBFRSDRLBW-UHFFFAOYSA-N 293.396 0.525 0 50 CCAA CCCC[C@@H](NC(=O)c1cc2n(n1)CCO2)C(=O)O 863981918 VLDYJRNLLJIKKI-MRVPVSSYSA-N 267.285 0.649 0 50 CCAA Cc1ccn(CC(=O)N[C@H](CC2CC2)C(=O)O)c(=O)c1 630158697 KHYLSMDZLLKTNG-LLVKDONJSA-N 278.308 0.526 0 50 CCAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H](O)c1cnc[nH]1 865190607 BPNMQYQNMIQAAV-JHJVBQTASA-N 278.356 0.528 0 50 CCAA Cc1nnc(C2(C)CN(C(=O)N[C@H]3CCCCNC3)C2)o1 952892191 CUDCXZPBWYELLI-NSHDSACASA-N 293.371 0.803 0 50 CCAA Cc1cncc(NC(=O)[C@@H]2CC(=O)N(C3CN(C)C3)C2)c1 952888203 NCBNAMBQMRWAIL-LLVKDONJSA-N 288.351 0.491 0 50 CCAA Cc1n[nH]c(C)c1CNCCN1CCCC[C@H]1CO 952970591 AUYPGJBEDPGIOT-ZDUSSCGKSA-N 266.389 0.963 0 50 CCAA Cc1ccoc1C(=O)NCC1CCN(C[C@H](O)CO)CC1 952987405 KNWRXFCOLUBAGZ-ZDUSSCGKSA-N 296.367 0.383 0 50 CCAA CNC(=O)C1CN(C(=O)Cc2cccc(OC)c2)C1 186196105 SSENHUKIRMGTEH-UHFFFAOYSA-N 262.309 0.442 0 50 CCAA c1nc(N2CCO[C@]3(CCOC3)C2)c2cc[nH]c2n1 274444729 VFFQUQLWPLTCHQ-CYBMUJFWSA-N 260.297 0.954 0 50 CCAA CCN(C(=O)CCN1CCCS1(=O)=O)c1cccnc1 171502244 RJIFYUKSGOTONV-UHFFFAOYSA-N 297.380 0.860 0 50 CCAA Cc1cccn(CC(=O)N2CCC(=O)[C@@H](C)C2)c1=O 188291709 KPQSOMDREBPEFA-NSHDSACASA-N 262.309 0.594 0 50 CCAA O=C(Cn1ccc2nccnc2c1=O)NC1CCCC1 585098811 DUCLKAJUPOSUGF-UHFFFAOYSA-N 272.308 0.850 0 50 CCAA CCn1ccc(C(=O)NC[C@@H](C2CC2)N(C)C)n1 574205920 RVEUJKCQNHZETQ-LBPRGKRZSA-N 250.346 0.973 0 50 CCAA C[C@H]1CN(C(=O)Cc2cccnc2)C[C@@H](C(=O)O)O1 1615996882 MDZDVBMSIHJYLK-ONGXEEELSA-N 264.281 0.325 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(Cc1ccc(C(N)=O)cc1)C2 1772704152 RWEWAUKASSKGMY-ZFWWWQNUSA-N 289.379 0.548 0 50 CCAA OC[C@]12CNC[C@H]1CN(CCCC(F)(F)F)C2 1772819012 NNDSKANZAZUTMO-VHSXEESVSA-N 252.280 0.843 0 50 CCAA O=C(c1cccnc1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857674106 QSONOGBXFILKBU-RISCZKNCSA-N 273.292 0.255 0 50 CCAA COc1nc2c(cc1C(=O)N1CC3(CN(C)C3)C1)CCC2 1857697365 RLDFEYLWAKLWMZ-UHFFFAOYSA-N 287.363 0.967 0 50 CCAA O=C(NC1CC1)c1ccnc(N2CC[C@H](CO)[C@H](O)C2)c1 1875243315 AWUWAWMELCOSHG-DGCLKSJQSA-N 291.351 0.153 0 50 CCAA O=C1C[C@H](C(=O)NCc2ccc(C(=O)O)cc2)CN1 123003673 WBGSFLQXLBCNAV-JTQLQIEISA-N 262.265 0.137 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)C[C@@H]2CCCNCC2)CC1 334214034 SLLAFERWEHKEFU-CYBMUJFWSA-N 296.415 0.592 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ncc[nH]1 385353565 CZLUWOOCNKPTNV-ZJUUUORDSA-N 270.358 0.267 0 50 CCAA O=C(O)[C@@H]1c2ccoc2CCN1C(=O)Cc1cc[nH]n1 1647423639 XTZSNCWFFLJKBJ-LBPRGKRZSA-N 275.264 0.756 0 50 CCAA Cc1cc(C)n(CC(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)n1 1704327871 IVYYOOLSJLGWPE-KBPBESRZSA-N 292.383 0.289 0 50 CCAA CN1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccon1 931727788 CHVYEEFNHHHTRJ-WDEREUQCSA-N 264.329 0.782 0 50 CCAA C[C@@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)S(C)(=O)=O 130977629 CNXSTDPIJUKSEY-AXTRIDKLSA-N 283.349 0.194 0 50 CCAA CN(C)c1nc(N)nc(CN2CCCCC[C@@H]2CO)n1 157068977 SCEVUZRTRLFLGC-SNVBAGLBSA-N 280.376 0.257 0 50 CCAA CN1CCN(C(=O)CCN2CCC(CCN)CC2)CC1 565956143 CVLCZZXIJDUYDT-UHFFFAOYSA-N 282.432 0.211 0 50 CCAA O=S1(=O)CCC(O)(CNC[C@@H]2CC=CCC2)CC1 328857091 DDFHSIVXVDSABT-GFCCVEGCSA-N 273.398 0.872 0 50 CCAA CC[C@H](NC(=O)[C@H]1CNCCC1(F)F)C(=O)OC 592484555 WQEUWHIDLFKCTL-SFYZADRCSA-N 264.272 0.299 0 50 CCAA C[C@@H]1NC(=O)O[C@@]12CCN(C(=O)Cc1cncnc1)C2 2325784169 FJAVTBDNTOMIHW-TVQRCGJNSA-N 276.296 0.119 0 50 CCAA C[C@@H](NC(=O)c1csc(CN)n1)C1(O)CCC1 2325788030 IPLYOTNUZPBDMA-SSDOTTSWSA-N 255.343 0.635 0 50 CCAA C/C=C/C1=C(Cl)[C@H](O)[C@@H](O)[C@]1(Cl)C(=O)OC 2332922387 ZRPNJWJXWPDDRB-RTQUVUSRSA-N 267.108 0.941 0 50 CCAA CC(C)(CO)NC(=O)[C@@H]1COc2ccccc2O1 307783 JZDINPFYHHVWCQ-NSHDSACASA-N 251.282 0.714 0 50 CCAA Cc1cc(C)cc(N([C@H](C)C(N)=O)S(C)(=O)=O)c1 2872374 RZUGUKHZVKHEGW-SNVBAGLBSA-N 270.354 0.943 0 50 CCAA Cn1nnc([C@@H]2CN(C(=O)NC3CCCCC3)CCO2)n1 2356152202 STKNOWWGMADICO-NSHDSACASA-N 294.359 0.626 0 50 CCAA CCS(=O)(=O)N1CCC(C(=O)NC(C)(C)C)CC1 8477069 KRKPVSJUCRMWHD-UHFFFAOYSA-N 276.402 0.963 0 50 CCAA CS(=O)(=O)C1(CNC(=O)c2ccnc(F)c2)CC1 225428682 IIFFQNFLXHPCRP-UHFFFAOYSA-N 272.301 0.528 0 50 CCAA COCc1cc(=O)[nH]c(NC[C@H]2CCCNC2)n1 57329843 GCZPPZPESPHBKJ-VIFPVBQESA-N 252.318 0.328 0 50 CCAA O=C(CCN1C[C@@H](C(=O)O)CC1=O)NC1CCCCC1 65502774 WVYUICAFGYFMPE-JTQLQIEISA-N 282.340 0.759 0 50 CCAA CC1(C)NC(=O)CC[C@H]1NS(=O)(=O)c1ccoc1 352072513 WVEWIHYILGVFIZ-SECBINFHSA-N 272.326 0.615 0 50 CCAA Cc1ncnc(N2CCN(C(=O)c3cn[nH]c3)CC2)c1C 215672707 XSUXXGDUKOVSKQ-UHFFFAOYSA-N 286.339 0.779 0 50 CCAA CC(=O)N(C[C@@H]1CCCN1Cc1nc(O)n[nH]1)C1CC1 328628665 HLUFIUICLXSCDY-NSHDSACASA-N 279.344 0.486 0 50 CCAA O=S1(=O)C[C@@H](O)[C@H](Nc2ncnc3ccsc23)C1 670448104 LJFKNNGLIPEWRH-HTQZYQBOSA-N 285.350 0.261 0 50 CCAA CC(C)C1=NO[C@H](C(=O)N2CCC3(CC2)CNC(=O)C3)C1 77436959 HIGVWYWUXBIMCU-LBPRGKRZSA-N 293.367 0.916 0 50 CCAA Cc1nc2ccccn2c1CC(=O)N[C@@H]1CCNC[C@H]1O 77440790 CHPUUJREYBNCDR-DGCLKSJQSA-N 288.351 0.024 0 50 CCAA COc1ccc(C2(C(=O)NC[C@@]3(O)CCNC3)CC2)cc1 72145273 NUSLDKZACZYZHB-OAHLLOKOSA-N 290.363 0.567 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(CC)[nH]c(=O)c1 222770112 PHGCQRXJTWWIQM-CHWSQXEVSA-N 294.351 0.861 0 50 CCAA Cc1nc[nH]c1CC(=O)N1CCCC[C@@H]1c1nc(O)n[nH]1 614758323 PORMIWAINUHLQT-SNVBAGLBSA-N 290.327 0.838 0 50 CCAA O=C(NC[C@@H]1CCCN1)c1ccccc1Cn1cncn1 178781461 UXMSFNYOEBTVNU-ZDUSSCGKSA-N 285.351 0.808 0 50 CCAA CCc1ocnc1C(=O)N1CCC(c2nc(N)n[nH]2)CC1 426521178 GKXFONKCYUNOOL-UHFFFAOYSA-N 290.327 0.957 0 50 CCAA CCCOC[C@H]1CCN(C(=O)c2cncc(=O)[nH]2)C1 426422078 ZEMMCNSISDSTBU-JTQLQIEISA-N 265.313 0.659 0 50 CCAA CN(C)c1ccc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cn1 96179717 NDBCUHSSHDBKQU-SMDDNHRTSA-N 279.340 0.105 0 50 CCAA CN1CC[C@@H](C(=O)N(C)Cc2ccccn2)CC1=O 334514586 WBKZIZCZZRLPHZ-LLVKDONJSA-N 261.325 0.908 0 50 CCAA CCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(CC(C)C)C(=O)[C@H]13)O2 239174534 QERANWHZFLNWOH-YXMPFFBPSA-N 279.336 0.988 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)c2[nH]cnc2C)C1 91664857 QAURZEQFVGFCJV-CQSZACIVSA-N 281.356 0.969 0 50 CCAA COCCN1C[C@H]2CC[C@@H]1CN(CCCn1cnnn1)C2 92038406 WFMQYDOAJBJXRA-UONOGXRCSA-N 294.403 0.106 0 50 CCAA O=C1CCN(CCCOc2ccc(C(=O)O)cc2)CCN1 244673622 HSTWEAIDLHDDTR-UHFFFAOYSA-N 292.335 0.976 0 50 CCAA CCN1CC[C@H](N(C)C(=O)CNC[C@H]2CCCO2)[C@@H](C)C1 299740158 WIXHQCFPSGMOEN-ZNMIVQPWSA-N 297.443 0.944 0 50 CCAA O=C(CCCn1cnnn1)N1CC[C@]2(O)CCCC[C@H]2C1 524732573 BNHSPMKUKPKZFR-GXTWGEPZSA-N 293.371 0.607 0 50 CCAA Cc1nc(CNC(=O)N2CC[C@@H](C(C)(C)O)C2)no1 534588983 JUCBPTNLBYKJJG-SECBINFHSA-N 268.317 0.680 0 50 CCAA Cc1nc2ccccc2n1CC(=O)NCCn1ccnn1 534644766 OMXNGLNYMZHRHM-UHFFFAOYSA-N 284.323 0.753 0 50 CCAA O=C1CC[C@@H](C(=O)NCCCOc2cccnc2)N1 299797367 NNHBOEAUQVKBMV-NSHDSACASA-N 263.297 0.245 0 50 CCAA CC(C)c1nnc(CN2CC(=O)N3CCC[C@H]3C2=O)o1 95511863 LJODJOQPBMYEIT-VIFPVBQESA-N 278.312 0.526 0 50 CCAA CNc1ncccc1C(=O)NC[C@@H]1COCCN(C)C1 824095205 RNECDQJAAKUFAR-NSHDSACASA-N 278.356 0.431 0 50 CCAA CC1=NO[C@@](C)(C(=O)NCCc2ncnn2C)C1 822324357 HDVJCAXZYFDQGF-LLVKDONJSA-N 251.290 0.029 0 50 CCAA CCS(=O)(=O)NC[C@H](C)NCc1cc(C2CC2)n[nH]1 584891735 NEKAVKRJOCMGJN-VIFPVBQESA-N 286.401 0.705 0 50 CCAA Cc1nc([C@H]2CCCN(Cc3nc4ncccn4n3)C2)n[nH]1 825262166 PRCVCMOVZXPDHR-NSHDSACASA-N 298.354 0.930 0 50 CCAA Cc1ccc([C@@H](C(=O)N2CCCNC(=O)C2)N(C)C)cc1 584885324 QMJNJJOCPZAFRU-HNNXBMFYSA-N 289.379 0.946 0 50 CCAA Cn1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1 268713505 YAUUWZKJEQOPDQ-JQWIXIFHSA-N 299.396 0.473 0 50 CCAA COCC(=O)N1[C@@H](C)CN(Cc2nncs2)C[C@H]1C 1875271487 UAXXXFKBNITKOQ-AOOOYVTPSA-N 284.385 0.606 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2Cc3ccc(O)cc3CN2)CCN1 1875338111 NVEDHSQVOAEENO-QMTHXVAHSA-N 275.352 0.227 0 50 CCAA Cc1cnc(CNC(=O)[C@@H]2NCCc3c2cnn3C)s1 1875392610 KIPBXYSXHDPDDW-GFCCVEGCSA-N 291.380 0.688 0 50 CCAA CC[C@H](C(=O)O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 248949547 JVRCECLMTZFIBS-UTUOFQBUSA-N 256.346 0.502 0 50 CCAA Cc1cc(N2CCNC(=O)[C@H]2CC(C)C)n2ncnc2n1 275461646 MTQYFBKHYVUKKN-LLVKDONJSA-N 288.355 0.784 0 50 CCAA CSCCC(=O)N1CCN(C)[C@H](c2nccn2C)C1 276803124 WHYWHHIAOHQNMB-NSHDSACASA-N 282.413 0.988 0 50 CCAA COCCN1CC(=O)N(Cc2nccn2CC(C)C)C1=O 170592646 XKZILYSTHATPMK-UHFFFAOYSA-N 294.355 0.950 0 50 CCAA C[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)CCN1 188440221 KLLHELJJZDTYDN-LLVKDONJSA-N 271.324 0.701 0 50 CCAA CO[C@H](C)[C@H](C)NC(=O)c1ccc2c(c1)B(O)OC2 584978860 FBENNOQTRYOJOT-DTWKUNHWSA-N 263.102 0.058 0 50 CCAA CCc1noc(COC2CN(C(=O)[C@@H]3CCCO3)C2)n1 644218007 QNHZKTVDEWALCW-JTQLQIEISA-N 281.312 0.538 0 50 CCAA C[C@H](c1nnnn1C1CC1)N(C)CCn1cccn1 192019522 FHPBLKHNYFAFBQ-SNVBAGLBSA-N 261.333 0.898 0 50 CCAA NC(=O)c1cncc(N2CCC3(CCOC3)CC2)n1 685918699 RVONTJXNNIWPCR-UHFFFAOYSA-N 262.313 0.582 0 50 CCAA C[C@H](C(=O)N[C@@H](Cc1ccncc1)C(=O)O)n1cccn1 655600555 JIXBNCSCJOYPLL-PWSUYJOCSA-N 288.307 0.651 0 50 CCAA COCCN(C(=O)NCc1cncn1C)[C@@H]1CCOC1 573652851 BGSIRHORRSLKFM-LLVKDONJSA-N 282.344 0.367 0 50 CCAA O=C(NC[C@H]1CCC[C@@H]1O)c1cnnn1C1CCNCC1 662527030 IUJJBNVCZIJFLM-MFKMUULPSA-N 293.371 0.093 0 50 CCAA Cc1cccc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)n1 1529179910 GPJFSSJCMIYLEY-IUODEOHRSA-N 298.346 0.856 0 50 CCAA O=C(O)[C@]12CN(Cc3cccc(O)c3)C[C@@]1(C(=O)O)C2 1704316530 TVNOVKURRXHGQX-OKILXGFUSA-N 277.276 0.754 0 50 CCAA CNC(=O)c1cccnc1N1Cc2nc(C)n(C)c(=O)c2C1 1704299680 PXMSEYASXHSMKG-UHFFFAOYSA-N 299.334 0.364 0 50 CCAA CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 370916085 FUNRDRPUIJXTOK-WCQYABFASA-N 250.346 0.939 0 50 CCAA CCOC(=O)c1nc(=N[C@@H](C)/C=C/C(=O)OC)cc[nH]1 1615585632 JWWQMYXSGJEEKX-CYNONHLPSA-N 279.296 0.605 0 50 CCAA OC[C@]12CNC[C@H]1CN(Cc1ccn3nccc3c1)C2 1772711396 IDFBONWXZVDIGJ-DZGCQCFKSA-N 272.352 0.348 0 50 CCAA Cc1cc(CN2CC[C@]3(CNC(=O)CO3)C2)on1 1775982492 QFRKYFYBWJMFNS-LBPRGKRZSA-N 251.286 0.074 0 50 CCAA CC[C@@H](C(=O)NC)N(c1ccccc1)S(C)(=O)=O 13710922 KHLZIRPHHOFVTA-NSHDSACASA-N 270.354 0.977 0 50 CCAA CC(=O)c1c(C)cn(C[C@@H](O)CN2CCNCC2)c1C 19735642 XMPPMSGGOHTOEN-AWEZNQCLSA-N 279.384 0.574 0 50 CCAA O=C(Cc1ccc(F)cc1)NCCN1CCOCC1 19929741 JSLAPKSUWLMIIT-UHFFFAOYSA-N 266.316 0.817 0 50 CCAA O=C(O)[C@H]1[C@@H]2C(=O)N(C[C@H]3CCCO3)C[C@@]23C=C[C@H]1O3 169679137 ZIXZUJGRFYPACJ-GIBVNIFISA-N 279.292 0.032 0 50 CCAA biogenic Cc1cccnc1C(=O)N1CC[C@@]2(CN(C)CCO2)C1 1857693988 VYZCLLKQBHOABQ-OAHLLOKOSA-N 275.352 0.937 0 50 CCAA O=C(c1ccoc1)N1CCC[C@@](O)(Cn2ccnn2)C1 331414600 SFONAEPEELANHO-ZDUSSCGKSA-N 276.296 0.538 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2cccc(C)n2)C1 643814903 BGRPJVZDBFEBFI-HNNXBMFYSA-N 277.368 0.853 0 50 CCAA O=C(c1cc(-n2cccn2)ccn1)N1C[C@@H](O)C2(CC2)C1 368733483 SSLGTFFSMBNGQL-CYBMUJFWSA-N 284.319 0.864 0 50 CCAA NC1C[C@@H]2CCC[C@H](C1)C2NC(=O)[C@H]1CCNC(=O)C1 261611128 FSBLTJFGQKPPFV-DXTFBPMZSA-N 279.384 0.535 0 50 CCAA O=C(NCc1ncc[nH]1)[C@H]1NCCOc2ccccc21 1646741736 DKIAPFKKEMNYRN-ZDUSSCGKSA-N 272.308 0.749 0 50 CCAA Cc1nc[nH]c1C(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704299465 QIMABBKQZCESRW-IUODEOHRSA-N 292.383 0.637 0 50 CCAA Cn1nc2c(c1C(=O)N1CC(=O)NCC1(C)C)CCC2 908021194 NLWOFVVCBGMKMM-UHFFFAOYSA-N 276.340 0.259 0 50 CCAA CN(Cc1ccc(N(C)C)nc1)C[C@@H]1COCCO1 215761805 PGEAWPRGVLRIFA-CYBMUJFWSA-N 265.357 0.995 0 50 CCAA COc1cccc(C(=O)N2CCOC[C@@H]2C(=O)O)c1F 262138207 LPCVHQYPTLZJKG-SECBINFHSA-N 283.255 0.760 0 50 CCAA Cn1cccc(C(=O)N(CC(=O)O)C2CC2)c1=O 262800826 RQGMEYCUFIMDMA-UHFFFAOYSA-N 250.254 0.075 0 50 CCAA CNC(=O)NCCNC(=O)c1cccc(C)c1O 397468877 VBOFPKXWOQXOLB-UHFFFAOYSA-N 251.286 0.359 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)CCc1nc(O)n[nH]1 2100477620 CWIILFGYDQBMSP-UHFFFAOYSA-N 279.300 0.706 0 50 CCAA CN1C(=O)CC[C@@H]1CNC(=O)C[C@H]1CCCNC(=O)C1 2325789994 ASCGETDRDMCBAR-WDEREUQCSA-N 281.356 0.030 0 50 CCAA O[C@H]1C[C@H](O)C12CCN(c1ncnc3[nH]ccc13)CC2 2325792940 XFLWMXWAMORWJV-QWRGUYRKSA-N 274.324 0.670 0 50 CCAA COCC1(S(=O)(=O)Nc2cnn3cccnc23)CC1 2325809249 VHJNNZIGFIILLX-UHFFFAOYSA-N 282.325 0.650 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)C(=O)C1CCCCC1 2325811226 DYKROIUFFLGFSP-KOLCDFICSA-N 266.341 0.919 0 50 CCAA Cc1cccc(N(CC(N)=O)[C@@H]2SC(=O)NC2=O)c1 1318023 ISLUSJLNYRXMBD-LLVKDONJSA-N 279.321 0.596 0 50 CCAA Cc1nc(CN2CCC[C@]23CCCN(CCO)C3=O)n[nH]1 2356170000 QBXBPCOEXCVBPJ-AWEZNQCLSA-N 293.371 0.062 0 50 CCAA O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 4755661 MGODZYXDEJPXNH-SNVBAGLBSA-N 298.389 0.478 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)COC)C1 10302693 CFCSLLVAEIMVGF-WDEREUQCSA-N 292.401 0.199 0 50 CCAA COC(=O)[C@](C)(NC(=O)[C@H]1OCC[C@@H]1C)C1CC1 225434674 AUTFSJMJCLOMLF-GMOODISLSA-N 255.314 0.869 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N[C@@](C)(CN)CC(C)C 420449576 KIXONSOJZHTKOV-GFCCVEGCSA-N 288.417 0.770 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1nc(C)c[nH]1 67820058 YSKSIMHLWZSLCP-MNOVXSKESA-N 293.371 0.128 0 50 CCAA COc1cccc2c1OC[C@@H](C(=O)Nn1cnnc1)C2 67820083 GCLUTVIZAIRSKO-JTQLQIEISA-N 274.280 0.608 0 50 CCAA CC1CCN(c2ccc(=O)n(CC(=O)O)n2)CC1 62716030 QBBQCPUGFKERPJ-UHFFFAOYSA-N 251.286 0.564 0 50 CCAA CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)C1CC1 252489105 JFLLYLNFFSLKTR-SCZZXKLOSA-N 265.375 0.226 0 50 CCAA O=C(NC[C@H]1CCCS1(=O)=O)Nc1nccs1 152084075 ZNQFAHDBVOGJIC-SSDOTTSWSA-N 275.355 0.842 0 50 CCAA Cn1nc2c(cc1=O)CN(C(=O)[C@H]1C[C@@H]1C1CC1)CC2 328880260 LSPOVIKRDUVXED-NEPJUHHUSA-N 273.336 0.711 0 50 CCAA CC(C)(C(=O)N1CCOC[C@@H](O)C1)n1cccc1 77484693 NLPXEMVPWTYECP-NSHDSACASA-N 252.314 0.443 0 50 CCAA NC(=O)[C@@]1(O)CCN(C(=O)C/C=C/c2ccc(F)cc2)C1 368467443 WCLJPIXSGJGHKA-BGTMTDRBSA-N 292.310 0.678 0 50 CCAA CC(C)(C)n1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)cn1 236762613 JBLOBRZVHIAQGV-NSHDSACASA-N 295.339 0.954 0 50 CCAA NC(=O)c1cn(C2CN(CC3CCCCC3)C2)nn1 459612594 BXNIIWMPTMLHBG-UHFFFAOYSA-N 263.345 0.814 0 50 CCAA CCN1CCO[C@@H](C(=O)N2CCC(c3cn[nH]c3)CC2)C1 369935629 NHQLQPQOMGATNV-CQSZACIVSA-N 292.383 0.836 0 50 CCAA COCC1(NC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)CCCC1 71761998 PYRWBYSSYQIOHX-JTQLQIEISA-N 297.355 0.344 0 50 CCAA CCO/C=C/C(=O)N1CC[C@H](OC(=O)N(C)C)C1 493061560 YUIKDBNAVLHJOK-PCGIRMHASA-N 256.302 0.836 0 50 CCAA CN(C)C/C=C/C(=O)N(C)CC(=O)NCc1ccccc1 493478285 AQUGVOPUXAHHLK-JXMROGBWSA-N 289.379 0.879 0 50 CCAA COc1ccc(C(=O)NC[C@@H]2COCCO2)c(OC)c1 48808677 LVULSOQVIPHMEU-LLVKDONJSA-N 281.308 0.849 0 50 CCAA C[C@H](NC(=O)c1cnc(O)cn1)c1cn2ncsc2n1 223530571 MFHSDEOWEJPJAN-LURJTMIESA-N 290.308 0.777 0 50 CCAA CN1CCCC[C@H]1CC(=O)NCCCc1nn[nH]n1 426612289 GMCGHHBAKVJEHC-JTQLQIEISA-N 266.349 0.123 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCN3CCC[C@H]3C2)cn1C 426419927 HIBWQOQCBBDRHB-LBPRGKRZSA-N 275.352 0.614 0 50 CCAA Cc1cc(S(=O)(=O)N[C@@H]2CCNC2=O)c(C)s1 534578499 HXGDQTIWRLWGDT-MRVPVSSYSA-N 274.367 0.532 0 50 CCAA O[C@H]1C[C@@H]2CN(Cc3nccs3)C[C@@H]2C[C@@H]1O 97532582 NJJXDGRIKGJWRY-VLEAKVRGSA-N 254.355 0.707 0 50 CCAA COc1c[nH]c(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cc1=O 91915419 ZQHZVABUEOCWSO-NWDGAFQWSA-N 292.335 0.926 0 50 CCAA O=C(O)[C@@H]1CN(Cc2ncc[nH]2)CCN(CC2CC2)C1 97637993 NQDJOBRIDFHSIF-LBPRGKRZSA-N 278.356 0.638 0 50 CCAA Cc1nn2cc(Br)cnc2c1S(N)(=O)=O 521399453 OQEGMSIKIMLMOA-UHFFFAOYSA-N 291.130 0.448 0 50 CCAA CCCc1nnsc1C(=O)N[C@H]1CCCNC1=O 534663989 PFZYLEPUWKUEMG-QMMMGPOBSA-N 268.342 0.499 0 50 CCAA COC[C@H](NC(=O)Cc1c(O)n[nH]c1C)c1ccccn1 534641638 PORNHSZBKCIMOU-LBPRGKRZSA-N 290.323 0.865 0 50 CCAA CO[C@H]1COC[C@@H]1Nc1ncc(C)c(N(C)C)n1 584897408 XHTUGNPXJCZZSN-UWVGGRQHSA-N 252.318 0.677 0 50 CCAA O=C([C@H]1C=CCN1)N1CCC(Oc2ncccn2)CC1 584900686 LPXBASKXJFFLFZ-GFCCVEGCSA-N 274.324 0.374 0 50 CCAA CC(C)n1cnnc1CN1CCO[C@H](C(=O)N(C)C)C1 670450927 VOWIUASMMRXBGC-NSHDSACASA-N 281.360 0.148 0 50 CCAA Cc1ccc(NC(=O)CN2CC[C@@H](c3nn[nH]n3)C2)cc1 952883563 PHABFZDJVNCBMS-LLVKDONJSA-N 286.339 0.936 0 50 CCAA CSc1ncc(CN[C@H](C)CN2CCN(C)CC2)n1C 952970104 HJEZQGTVKRKPIE-GFCCVEGCSA-N 297.472 0.868 0 50 CCAA COCCN1C(=O)N[C@H]2CN(c3nc(C)ns3)CC[C@H]21 894176305 LPYGOBPRNPZMPW-VHSXEESVSA-N 297.384 0.465 0 50 CCAA NC(=O)c1ccc(C(=O)N2CCCOCC2)s1 407990011 MNPRRYRPQLWUCS-UHFFFAOYSA-N 254.311 0.710 0 50 CCAA C[C@H](NC(=O)c1n[nH]c2c1CCC2)C(=O)N(C)C 276794715 UURPYSXGXBADOT-ZETCQYMHSA-N 250.302 0.105 0 50 CCAA NC(=O)CC1(NC(=O)c2ccc(C(=O)O)cc2)CCC1 582848908 QPFGDTVDPQUPBX-UHFFFAOYSA-N 276.292 0.913 0 50 CCAA C[C@H]1CN(C[C@H](O)C(F)(F)F)CCN1CC(C)(C)O 189879331 YHPUGUGVQDEKGT-UWVGGRQHSA-N 284.322 0.687 0 50 CCAA CC(C)(C)c1nnnn1CC1(CS(C)(=O)=O)CC1 678063405 RHEDDZLNODCZQP-UHFFFAOYSA-N 272.374 0.795 0 50 CCAA O=C(COC[C@H]1CCCO1)N=c1nc(C2CC2)[nH]o1 584906938 XXLJWNYBWHYALS-SECBINFHSA-N 267.285 0.503 0 50 CCAA Cc1nccnc1N1CCC[C@](O)(CC(=O)N(C)C)C1 643718601 ALKSUQPXJBIYBU-AWEZNQCLSA-N 278.356 0.595 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CCNCC2)C1 67785565 OVQQIDCQYSSBTR-UHFFFAOYSA-N 298.412 0.791 0 50 CCAA CCc1c(C)nn(C)c1NC(=O)CCNC(C)=O 1506423685 HFFNQTJWMPFWJS-UHFFFAOYSA-N 252.318 0.756 0 50 CCAA CN(C)[C@@H]1CCCCN(C(=O)c2nccn2C)C1 1506408850 XXWWQSMVFNNWSK-LLVKDONJSA-N 250.346 0.976 0 50 CCAA Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C1(C)CC1 408224002 GFSBJLXUFIGFMD-VIFPVBQESA-N 270.358 0.893 0 50 CCAA Cc1cnc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cn1 1529099448 XRVJKONMHAIHKJ-BXUZGUMPSA-N 299.334 0.251 0 50 CCAA CS(=O)(=O)NCc1nc(Cc2ccc(F)cc2)no1 225387306 UIHNJJKCPDVHDN-UHFFFAOYSA-N 285.300 0.849 0 50 CCAA CN1CCN(c2nc(CO)cs2)CC12CCOCC2 1800408409 DWPBXZXHBOCBJE-UHFFFAOYSA-N 283.397 0.936 0 50 CCAA CCN1CCn2c(nnc2-c2ccccc2CO)C1=O 1772804158 IBXPIBLFJBCZPW-UHFFFAOYSA-N 272.308 0.913 0 50 CCAA COCCOCCCN1Cc2nc(C)nc(O)c2C1 1857533158 YWWGJWUMQLGHIZ-UHFFFAOYSA-N 267.329 0.859 0 50 CCAA COc1nccnc1N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1857713565 PXKDGWWJMUOILN-CHWSQXEVSA-N 290.367 0.785 0 50 CCAA CCc1ocnc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1 1857712429 OXQUUZVSLZBBMT-DCAQKATOSA-N 279.340 0.828 0 50 CCAA O=C1C[C@H](CC(=O)N2CCOCCN2)c2ccccc2N1 820997511 VNXRTZOVPRWDET-LLVKDONJSA-N 289.335 0.866 0 50 CCAA O=C(NN1C[C@H](C(=O)O)CC1=O)c1ccccc1Cl 4555491 BOHNMOBKCGXLKC-SSDOTTSWSA-N 282.683 0.918 0 50 CCAA CC(=O)NC[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)CCO1 236661237 TXVLJVPANTVLFW-ZIAGYGMSSA-N 291.351 0.050 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)C[C@H]2CCCNCC2)CC1 334214035 SLLAFERWEHKEFU-ZDUSSCGKSA-N 296.415 0.592 0 50 CCAA CC(C)N1N=C(C(=O)N[C@H]2CCCC[C@@H]2O)CCC1=O 372298607 PNWJICONDJLXMZ-JQWIXIFHSA-N 281.356 0.793 0 50 CCAA CN1CCC[C@@H]1C(=O)NC1(CO)CCSCC1 585121344 MQMDKCMIIPOAFF-SNVBAGLBSA-N 258.387 0.455 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cccc(F)c1)C2 1704325570 QALCOTGVBKBQDD-YPMHNXCESA-N 264.300 0.773 0 50 CCAA Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)O)C1 910341491 QFTJUCWYSFSAQT-RJBGGMTGSA-N 289.335 0.893 0 50 CCAA COC[C@H](C)CN(C)C[C@H]1CCCN(S(C)(=O)=O)C1 252511361 FXGSTDGQLPGAMF-CHWSQXEVSA-N 292.445 0.872 0 50 CCAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cn[nH]c1 40445331 RAHKJJZMSRNTEX-LLVKDONJSA-N 272.312 0.599 0 50 CCAA Cc1nnc(CN2CCc3ncnc(O)c3C2)s1 299777332 OCDCNSKIHUVAMP-UHFFFAOYSA-N 263.326 0.900 0 50 CCAA O=C(CCn1cncn1)N1CCC[C@@H](c2ccn[nH]2)C1 67757034 HHWALSZIXWGFAL-LLVKDONJSA-N 274.328 0.798 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](O)CC1 331400366 CYAPDFRDRVLMBF-NSHDSACASA-N 251.330 0.942 0 50 CCAA OC[C@H]1CN(c2ncnc3sccc23)CC[C@H]1O 396813493 SXXAYPISBNRDBN-PSASIEDQSA-N 265.338 0.871 0 50 CCAA C[C@@H]1CCCN(C(=O)CN2CCNC(=O)CC2(C)C)C1 931205831 IZUUXIOBBQKMBE-GFCCVEGCSA-N 281.400 0.845 0 50 CCAA Cc1cn(CCNC(=O)c2ccc3ccn(C)c3n2)nn1 2100539476 KCGNNAIFNJSXHT-UHFFFAOYSA-N 284.323 0.903 0 50 CCAA CC(C)n1ncc(C(=O)N2[C@@H](C(=O)O)CS[C@@H]2C)n1 2325820568 AVSWGAGFOYBGBB-VXNVDRBHSA-N 284.341 0.847 0 50 CCAA Cc1nc(C(=O)NC2(CC(N)=O)CCC2)c(C)o1 342612968 HUHFXVPTPOREII-UHFFFAOYSA-N 251.286 0.819 0 50 CCAA CCCc1cnc(N2CCO[C@@H](c3nn[nH]n3)C2)nc1 2356138701 QBLAILKWWIEDRH-SNVBAGLBSA-N 275.316 0.520 0 50 CCAA COCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O 2943405 ISGXEKJWEJQQMC-UHFFFAOYSA-N 287.319 0.673 0 50 CCAA CCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 4313986 XKGRBUYCMHIUAX-UHFFFAOYSA-N 270.354 0.752 0 50 CCAA CN1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1 7504894 PBTYLDTXLSVPBU-UHFFFAOYSA-N 289.379 0.911 0 50 CCAA O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCNC1 225391536 GCWRNFLXHUWVJI-NSHDSACASA-N 278.356 0.129 0 50 CCAA COC(=O)CSCCNC(=O)[C@@H]1CCCCC[C@@H]1N 225437099 JJDAFLGYHMPRHW-MNOVXSKESA-N 288.413 0.916 0 50 CCAA COc1ccc(C)cc1NC(=O)C[C@@H]1NCCNC1=O 9483962 MEHRIADJPFDOMS-NSHDSACASA-N 277.324 0.420 0 50 CCAA O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@H]1C[C@H]1C(=O)O 249385173 ZAUQRGYUJKRESK-GARJFASQSA-N 290.323 0.282 0 50 CCAA COC[C@H](NC(=O)c1c(O)cccc1O)c1ccnn1C 67587453 GWWMOVOVNLDLCU-VIFPVBQESA-N 291.307 0.949 0 50 CCAA O=C(c1ccnc(-n2ccnc2)c1)N1C[C@@H](F)C[C@H]1CO 364589311 CXGFJJZYVKQFSM-RYUDHWBXSA-N 290.298 0.812 0 50 CCAA C[C@H]1CN([C@H](C)CNC(=O)[C@@H](C)n2cncn2)C[C@@H](C)O1 229233231 IUPVXRIKMOYUJE-FVCCEPFGSA-N 295.387 0.453 0 50 CCAA Cc1cnc(C)c(N2CCCN([C@@H](C)CO)CC2)n1 368975583 XDUUAYZEHULRDD-LBPRGKRZSA-N 264.373 0.986 0 50 CCAA CC[C@]1(C(N)=O)CCCN(C(=O)c2cn[nH]c2)C1 216066128 HUJTXRVXAZYACY-LBPRGKRZSA-N 250.302 0.527 0 50 CCAA CC(=O)N1CC[C@@](C)(C(=O)N2CC(=O)N(CC3CC3)C2)C1 365102747 XCXDVCHMIBPUPY-OAHLLOKOSA-N 293.367 0.283 0 50 CCAA Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)O)nn1C 257644513 AJFLIBXPCUFDQM-SECBINFHSA-N 267.285 0.044 0 50 CCAA COC[C@H](C)C(=O)N1CCCC[C@@H]1c1nc(O)n[nH]1 330806487 LGXHMSQSOVXEHW-DTWKUNHWSA-N 268.317 0.846 0 50 CCAA COCc1nnc(C(=O)N2CC(N3CCCCC3)C2)o1 71752476 BFFYRVAREUQARV-UHFFFAOYSA-N 280.328 0.526 0 50 CCAA COc1ccc(S(=O)(=O)NC[C@@H](C)O)c(F)c1 331092868 JGHAQDAPQHWARF-SSDOTTSWSA-N 263.290 0.493 0 50 CCAA OCc1ccc(CN2CC[C@](O)(c3c[nH]nn3)C2)cc1 284473146 AKPCEXVWUPPIPT-CQSZACIVSA-N 274.324 0.391 0 50 CCAA C[C@H](C(=O)NCCN1CCC(O)CC1)N1CCCCCC1 333969487 USSGPPYIPAEJLF-CQSZACIVSA-N 297.443 0.824 0 50 CCAA C[C@@H](O)[C@@H]1CN(c2cc(NC3CC3)ncn2)CCO1 334124712 OFOFTZTXIIITIN-KOLCDFICSA-N 264.329 0.637 0 50 CCAA Cn1cc(N2CCN(C(=O)c3cncc(F)c3)CC2)cn1 133096257 TVQCAJMHAMGVAB-UHFFFAOYSA-N 289.314 0.917 0 50 CCAA CN1CC[C@H](C(=O)N2CC[C@](C)(C(=O)O)C2)CC1=O 178260910 VXJDBSWIZRJFOS-ZANVPECISA-N 268.313 0.178 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)NCCc1nccn1C 426359559 LWGOUIPVHQDIPX-JTQLQIEISA-N 261.329 0.845 0 50 CCAA Cc1cc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1C 225694698 NJSODCCAJXQACU-HZQMYPQZSA-N 261.281 0.395 0 50 CCAA O=C(Cn1ccnn1)NC1(CN2CCCCC2)CC1 426398271 ZCAXKOZYRFFTOA-UHFFFAOYSA-N 263.345 0.413 0 50 CCAA Cc1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)c(C)s1 334409232 SHLLVCJTEXHGEW-VIFPVBQESA-N 288.394 0.874 0 50 CCAA Cc1nc(C(F)(F)F)ncc1CN1CCO[C@@H](CN)C1 426551780 IRCCFQAUUWFXKV-JTQLQIEISA-N 290.289 0.963 0 50 CCAA Cn1nc(C(=O)N2CCC[C@]3(CCCO3)CC2)ccc1=O 97766354 OEFFAGFEIHRMRV-HNNXBMFYSA-N 291.351 0.956 0 50 CCAA Cc1cccc([C@H]2C(=O)NCCN2C(=O)Cn2cccn2)c1 620358472 WLZWTZNSKIIZRU-HNNXBMFYSA-N 298.346 0.891 0 50 CCAA O=C(O)c1cncnc1NCCCN1CCCC1=O 95353583 KEXNRQPZACWBEV-UHFFFAOYSA-N 264.285 0.599 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1cnc(C2CC2)[nH]c1=O 91818901 ASNDNHSMSGEJIM-QWRGUYRKSA-N 293.323 0.181 0 50 CCAA O=C(CCN1CCOC[C@H]1CO)Nc1nccs1 244673989 HZKHHGMNFHHXHH-SECBINFHSA-N 271.342 0.165 0 50 CCAA Cc1sc(=O)n(CC(=O)N2CCC[C@@H](O)C2)c1C 299141076 SPYGUMYGQVJHDX-SNVBAGLBSA-N 270.354 0.510 0 50 CCAA Cc1nccn1CCCC(=O)N1CC[C@H](C(=O)O)C1 299744916 VMVBTFNFPJNHBY-NSHDSACASA-N 265.313 0.905 0 50 CCAA CCOC(=O)[C@]12CNC(=O)[C@H]1CN(Cc1ccccc1)C2 601014158 AEIQIDJIDDKKDS-CJNGLKHVSA-N 288.347 0.798 0 50 CCAA O=C(CN1CCOC1=O)NCC[C@H]1CCCOC1 534646742 BMHHXFYVGHEZRM-SNVBAGLBSA-N 256.302 0.372 0 50 CCAA Cc1c(NC(=O)c2cnc3ccccn3c2=O)cnn1C 362657793 YPVZUXNKNMJPQW-UHFFFAOYSA-N 283.291 0.989 0 50 CCAA Cc1csc(CCCNC(=O)CCn2cnnn2)n1 299788600 VLEYHVQPABIPJE-UHFFFAOYSA-N 280.357 0.577 0 50 CCAA O=c1[nH]nc(CNc2cc([C@H]3CCOC3)ncn2)[nH]1 299767854 WGZCKXQYWQVZEY-ZETCQYMHSA-N 262.273 0.004 0 50 CCAA Cc1cnc(CNC(=O)[C@@H](C)Cn2cccn2)cn1 827628139 YVTVBLMRFDNXJY-JTQLQIEISA-N 259.313 0.934 0 50 CCAA Cc1nonc1CNC(=O)CCCn1cncn1 584894063 LMBOQNOASUMORU-UHFFFAOYSA-N 250.262 0.066 0 50 CCAA Cc1nc[nH]c1C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 670442509 DUKOIJLTKDQVRC-SECBINFHSA-N 260.301 0.856 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)NCc1nncn1C(C)C 670453705 RAKYITBNUIAGGO-SNVBAGLBSA-N 289.405 0.276 0 50 CCAA NC1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551531414 LCIMVOZAMNUEKF-ZIAGYGMSSA-N 274.368 0.744 0 50 CCAA CC1(C)NC(=O)C[C@@H]1C(=O)OCc1noc(C2CC2)n1 1875293518 STQXNLXPQWNVHE-MRVPVSSYSA-N 279.296 0.905 0 50 CCAA Cn1nc(O)cc1C(=O)NCc1cn(-c2ccccc2)nn1 1875318763 VXRASSMTLHTJGH-UHFFFAOYSA-N 298.306 0.636 0 50 CCAA CC(C)Cc1cc(C(=O)N2CC(O)C2)nc(N)n1 952872028 HEZIFNIXWXPJNM-UHFFFAOYSA-N 250.302 0.074 0 50 CCAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1CC1(OC)CCC1 888102791 MMWFLZVDHFBZCW-NSHDSACASA-N 293.371 0.086 0 50 CCAA CN1C[C@H]2CCN(C(=O)NCc3ccccn3)[C@H]2C1 891427486 SWGOHNVNQCJHKF-YPMHNXCESA-N 260.341 0.927 0 50 CCAA CCn1cc(CC(=O)N[C@H]2C[C@@H](N)C23CCC3)cn1 1514665119 REVIPQYTACVNFU-NEPJUHHUSA-N 262.357 0.832 0 50 CCAA C[C@]1(O)CCN(C(=O)CSc2ccccn2)C[C@H]1O 1565525133 GKVVICNHVAOIGR-MFKMUULPSA-N 282.365 0.518 0 50 CCAA Cc1c[nH]cc1C(=O)NC1(CO)COC(C)(C)OC1 408523537 SOSHVUZVTXBIEL-UHFFFAOYSA-N 268.313 0.567 0 50 CCAA COc1cc(OC)nc(NC[C@@H]2CN(C)CCO2)n1 135006052 RJBOYSFFIXPKAE-SECBINFHSA-N 268.317 0.236 0 50 CCAA O=C([C@@H]1CSCCS1)N1CC(N[C@@H]2CCOC2)C1 1363637484 YWIRAENRLSSCBH-KOLCDFICSA-N 288.438 0.424 0 50 CCAA COc1ncccc1NC(=O)N[C@@]1(CO)CCOC1 273455693 DIUVINFFERVEMK-GFCCVEGCSA-N 267.285 0.363 0 50 CCAA COC(=O)CCNC(=O)C[C@H](O)COCc1ccccc1 585129502 LUVOAQKNWCMAKX-ZDUSSCGKSA-N 295.335 0.634 0 50 CCAA Cc1ccc(Nc2nc(N)nc(Cn3nnnc3C)n2)cc1 170601008 QECHLHYHIQQTBP-UHFFFAOYSA-N 297.326 0.849 0 50 CCAA CN(C(=O)CN1CCCC[C@H](O)C1=O)c1cccnc1 644359560 PQHFTAMVVXYPHU-LBPRGKRZSA-N 277.324 0.418 0 50 CCAA CN(CC1(O)CCOCC1)C(=O)[C@@H]1CCc2cncn2C1 572245868 FOBWEGBYEIVXGI-GFCCVEGCSA-N 293.367 0.445 0 50 CCAA CCN(C)c1ccnc(NCCS(=O)(=O)CC)n1 1704343308 WASXGEKHFMYERH-UHFFFAOYSA-N 272.374 0.779 0 50 CCAA NCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1704357886 ZYGGMAGQLCXBNR-IUODEOHRSA-N 285.347 0.867 0 50 CCAA O[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1Cc1ccncc1 1704352232 SDPRZFPQCLRMNY-CHWSQXEVSA-N 258.325 0.840 0 50 CCAA C[C@@H](C(=O)NS(C)(=O)=O)c1ccc2c(c1)CNC2=O 1875382524 FEXIZGXFZHSIJB-SSDOTTSWSA-N 282.321 0.109 0 50 CCAA CCc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2)s1 226316180 INACQSZWIHJYIF-KWQFWETISA-N 254.355 0.650 0 50 CCAA O=C(O)CCNC(=O)[C@H]1COc2ccc(F)cc2C1 376984448 DEFHAUCOCQFFHF-SECBINFHSA-N 267.256 0.968 0 50 CCAA CC(=O)NCCN(C)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)N1 1615548351 NTXDBGAYUIVWGR-IUCAKERBSA-N 281.278 0.264 0 50 CCAA CSCC[C@H](O)C(=O)NCCSc1nccn1C 215167179 DRVQVOQOLMGMKN-VIFPVBQESA-N 289.426 0.742 0 50 CCAA C[C@H](c1nnc2n1CCSCC2)N1CCOCC1 1775980586 DHFOWUXSTRFDSF-SNVBAGLBSA-N 268.386 0.961 0 50 CCAA CN1Cc2ccccc2C[C@@H]1CNc1nnc(CN)o1 1772705162 KWJCMGABRMMHSD-GFCCVEGCSA-N 273.340 0.997 0 50 CCAA O=C1CO[C@]2(CCN(C(=O)c3ccc(F)cc3F)C2)CN1 1772804275 KUQISOSMHNFBJM-CQSZACIVSA-N 296.273 0.696 0 50 CCAA CCCNC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3 169760090 ZHYFRUDUSQKGME-UHFFFAOYSA-N 288.351 0.901 0 50 CCAA Cc1cc(N2CCC[C@@](O)(CC(N)=O)C2)nc(C2CC2)n1 643714707 ZGWHSSQRKHBCKT-OAHLLOKOSA-N 290.367 0.869 0 50 CCAA COC(=O)CNC(=O)c1cnn2cccc(OC)c12 929083652 PZIAOYDPKKJWRV-UHFFFAOYSA-N 263.253 0.246 0 50 CCAA O=S(=O)(Cc1ccccc1F)N[C@H]1CCCNC1 193349975 YAOCDDQWBILOLW-NSHDSACASA-N 272.345 0.997 0 50 CCAA CC(C)C[C@H](CC(=O)O)NC(=O)CN1CCCC1=O 426506563 GMHQQIKQQTVBBG-SNVBAGLBSA-N 270.329 0.614 0 50 CCAA CC(C)(O)[C@H]1CCN(C(=O)CN2CCCC2=O)C1 670453213 SHDKTIQVMYBXFO-JTQLQIEISA-N 254.330 0.228 0 50 CCAA CCNCCNC(=O)[C@H]1CCCc2c1ncn2C 2325778412 YLSOKXAMLKHSIB-JTQLQIEISA-N 250.346 0.566 0 50 CCAA C[C@@H](O)CN(C)C(=O)C[C@H]1NC(=O)c2ccccc21 897308901 OHSGBMCBJACPFE-BXKDBHETSA-N 262.309 0.700 0 50 CCAA O=C(NC12CCN(CC1)C2)c1cccnc1-n1cccn1 913626808 IRYIZPVDSBIPPX-UHFFFAOYSA-N 283.335 0.845 0 50 CCAA COC(=O)CN1C(=O)c2ccccc2S1(=O)=O 155602 YWLDQSMTDJWJCC-UHFFFAOYSA-N 255.251 0.004 0 50 CCAA in-vitro CN1Cc2cc(-c3nc(N4CCOCC4)n[nH]3)ccc2C1=O 2356137595 QUABHVXPUOTFBY-UHFFFAOYSA-N 299.334 0.894 0 50 CCAA COc1cccc(CNC[C@@H]2CCCO2)c1OCC(N)=O 4999688 PXSZPACKWQJBPH-LBPRGKRZSA-N 294.351 0.828 0 50 CCAA O=C(NN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccnc1 101172321 SNZDEDFVINMDFY-PHIMTYICSA-N 273.292 0.902 0 50 CCAA CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20460637 QBXDATZYOPTKLL-QWRGUYRKSA-N 291.417 0.420 0 50 CCAA CN(C[C@@H]1COCCO1)C(=O)c1n[nH]c(N)c1Cl 217378804 RFOYKVFHSMZYRC-ZCFIWIBFSA-N 274.708 0.133 0 50 CCAA CN1CCN(C(=O)c2cncc(O)c2)C[C@@H]1c1ncc[nH]1 328644558 RVEPTARPTVQUMN-GFCCVEGCSA-N 287.323 0.639 0 50 CCAA Cn1nnc2cc(C(=O)N3CCC[C@](C)(O)CC3)cnc21 329981456 NGVZMRNTBRUUJW-AWEZNQCLSA-N 289.339 0.740 0 50 CCAA C[C@@H]1CNCCN1C(=O)CCOc1cccc(C(N)=O)c1 125056051 CWKWKBOUTKTPGB-LLVKDONJSA-N 291.351 0.375 0 50 CCAA C[C@H]1CN(C(=O)CCCn2ccnc2)C[C@H](C)N1 153560697 UXQAREXGBXBHKC-RYUDHWBXSA-N 250.346 0.872 0 50 CCAA Cc1ccn(-c2ccc(=NCC3[C@H]4COC[C@H]34)[nH]n2)n1 367732898 FDKNSXBOZCHOHY-VXGBXAGGSA-N 271.324 0.697 0 50 CCAA CC(C)n1cc(S(=O)(=O)N(C)[C@@H](C)C(=O)O)cn1 261696885 NNNNBHDMMVDNJG-QMMMGPOBSA-N 275.330 0.558 0 50 CCAA COc1ncc(Cl)c(N2CC[C@@H]3OCC(=O)N[C@H]3C2)n1 334027516 IHIZGGOWLBJXJF-IUCAKERBSA-N 298.730 0.232 0 50 CCAA CCc1cc(C(=O)NC[C@H]2CN(C)C(=O)CO2)ccn1 219429314 ADRSNHUONGDOTL-LBPRGKRZSA-N 277.324 0.231 0 50 CCAA Cc1nc(CN2CCC[C@@](O)(Cn3ccnn3)C2)oc1C 284592216 PALZUXNNRNPUIT-AWEZNQCLSA-N 291.355 0.910 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1nc(N)c2ccccc2n1 285487567 NSXWJSQHYGQXPS-KCJUWKMLSA-N 289.314 0.610 0 50 CCAA CCc1cncc(C(=O)N2CC[C@@](O)(c3c[nH]nn3)C2)c1 284748208 YNHJZKYQLNRMSZ-AWEZNQCLSA-N 287.323 0.496 0 50 CCAA Cc1ccc(OCCN(C)C(=O)[C@@H]2COC(=O)N2)cc1 71439446 HJNRZMGYMUFHLH-LBPRGKRZSA-N 278.308 0.941 0 50 CCAA Cc1nnc([C@@H](C)N2C[C@@H](C)[C@H](C(N)=O)C2)s1 286252254 QSPNEBYUCJWWFJ-ZXFLCMHBSA-N 254.359 0.961 0 50 CCAA CCC[C@@H](NC(C)=O)C(=O)NCCn1cnc(C)c1C 221281743 MPOVZSMBSAZEIC-CYBMUJFWSA-N 280.372 0.921 0 50 CCAA O=C(NCCN1CCCOC1=O)c1ncc(F)cc1F 220618526 WCDCTNKOSXJTAL-UHFFFAOYSA-N 285.250 0.932 0 50 CCAA CN(Cc1n[nH]c2c1CCCC2)C(=O)Cc1nc(O)n[nH]1 426606669 AIWDUMSBPCSBFV-UHFFFAOYSA-N 290.327 0.313 0 50 CCAA Nc1nc([C@H]2CCOC2)cc(N2CCOCC2)n1 426444942 MFTRPYVWZXTKTQ-VIFPVBQESA-N 250.302 0.399 0 50 CCAA CCc1noc(CCNC(=O)[C@]2(C)CCCO2)n1 426635261 FNVZVSHWAKMDEU-LBPRGKRZSA-N 253.302 0.860 0 50 CCAA O=C(c1ccc2c(c1)CCCO2)N1CCS(=O)(=O)CC1 426597187 HGHHRKSJLMHBFY-UHFFFAOYSA-N 295.360 0.882 0 50 CCAA COCC[C@]1(CO)CCCN(Cc2noc(COC)n2)C1 92065669 SNBDYHACYILIGN-CQSZACIVSA-N 299.371 0.827 0 50 CCAA Cn1ccnc1CNC(=O)Cc1ccc(OCCN)cc1 426590001 PSZHPSHPKTUIHY-UHFFFAOYSA-N 288.351 0.617 0 50 CCAA COCc1cc(CN(C)C(=O)[C@H]2CC23CCNCC3)n[nH]1 96150236 AWMOHNXJDLHNQD-CYBMUJFWSA-N 292.383 0.904 0 50 CCAA O=C1C[C@@H](c2nc(CN3CCOCC3)no2)CN1C1CC1 96133695 RERYIWPXDMAVOD-SNVBAGLBSA-N 292.339 0.380 0 50 CCAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCOC[C@@H]1CO 91665580 XBSIQOVDUQMXAY-JTQLQIEISA-N 288.303 0.361 0 50 CCAA O=C(CCn1cnnn1)NC[C@@H]1COc2ccccc2C1 91548250 QTDURDDHDFPBRI-LLVKDONJSA-N 287.323 0.431 0 50 CCAA CN(CC(=O)N1CCCC[C@@H]1C(=O)O)Cc1ccncc1 244748608 OKZYBNUMNNBCHP-CYBMUJFWSA-N 291.351 0.979 0 50 CCAA CCn1cc(O[C@@H]2CN(c3cnccn3)C[C@H]2O)cn1 624420301 RLNQOSXKELUHOP-VXGBXAGGSA-N 275.312 0.322 0 50 CCAA CC(C)(C)c1noc(CNS(=O)(=O)N2CCCC2)n1 534585813 CXNYASZXBKDFFA-UHFFFAOYSA-N 288.373 0.797 0 50 CCAA Cc1cc(C)n(CCCC(=O)N2C[C@@H]3NCCO[C@H]3C2)n1 534576032 FURDLUQWVJCFRI-KBPBESRZSA-N 292.383 0.479 0 50 CCAA CSCC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299763146 ZQJSXILOWLKNIQ-VHSXEESVSA-N 268.342 0.313 0 50 CCAA CN1CCN2CCN(C(=O)c3cc(F)ccc3O)C[C@@H]2C1 299797587 OLWRQQXIJIWVDW-LBPRGKRZSA-N 293.342 0.603 0 50 CCAA CC(C)n1cccc1C(=O)NCCCN1CCNC(=O)C1 299761227 XKOGCDIAHOLCLM-UHFFFAOYSA-N 292.383 0.621 0 50 CCAA O=C(NCCN1CCC[C@H](CO)C1)c1cncc(F)c1 828711167 MMKKCKJNYJMTTE-NSHDSACASA-N 281.331 0.655 0 50 CCAA CCc1noc(CCNC(=O)C2CCOCC2)n1 584885412 MINZSWXAVVGHHW-UHFFFAOYSA-N 253.302 0.717 0 50 CCAA COCC[C@@H]1CN(C(=O)CCN2CCCCC2=O)CCO1 584899855 FHRBBDJYUIKSCM-CYBMUJFWSA-N 298.383 0.653 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CCn1nnnc1C 584892697 DZVNZKZREYLVPX-SSDOTTSWSA-N 277.332 0.589 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCC(=O)NC 861687603 USRXAKOZNKVBBA-LBPRGKRZSA-N 295.383 0.538 0 50 CCAA COc1ccc2ncn(C[C@](C)(O)CCCO)c(=O)c2c1 584888962 ZWCCOTSHNTVUNX-OAHLLOKOSA-N 292.335 0.929 0 50 CCAA CC(C)Cc1nc(CN(C)S(=O)(=O)c2cn[nH]c2)no1 670472850 ILSSDBZIEOQILX-UHFFFAOYSA-N 299.356 0.812 0 50 CCAA Cn1cc(-c2noc([C@@H]3CCCc4nn[nH]c43)n2)nn1 952895077 SBJAMXMONCYFBU-ZCFIWIBFSA-N 272.272 0.451 0 50 CCAA Cc1cc(O)c(COC(=O)[C@@H]2CC=CCO2)nn1 1875277924 OAKNVCJSBMMWKQ-NSHDSACASA-N 250.254 0.879 0 50 CCAA N[C@]1(C(=O)NC[C@@H]2CCOC2=O)CCC[C@@H]2C[C@@H]21 1875355606 ANYMFIDLQQPOGO-KEPMVKOISA-N 252.314 0.183 0 50 CCAA Cc1nc(O)nc(O)c1CC(=O)NCCCn1cccc1 952974370 UBLZVOFGFBYNGT-UHFFFAOYSA-N 290.323 0.747 0 50 CCAA CN1C[C@@H](C(=O)Nc2ccc(F)c(O)c2)CC1=O 1178523016 LDVIINWRXAMJOD-ZETCQYMHSA-N 252.245 0.948 0 50 CCAA Cc1nn(C)c2nc(N3C[C@H](CO)[C@@H](CO)C3)sc12 1565526477 CZIRGOLIPSOALI-RKDXNWHRSA-N 282.369 0.375 0 50 CCAA Cc1c[nH]nc1C(=O)N[C@H](Cc1ccncc1)C(=O)O 1594267854 OWIVXUVAUQNYII-SNVBAGLBSA-N 274.280 0.539 0 50 CCAA COC[C@H]1CN(Cc2cnnn2C)CC(C)(C)O1 408032058 ZHEKMVHTJODUHS-LLVKDONJSA-N 254.334 0.441 0 50 CCAA O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1nc[nH]n1 275507815 WLXHJJRPAQRHQD-VHSXEESVSA-N 259.269 0.460 0 50 CCAA Cn1c(S)nnc1CCNC(=O)C1[C@@H]2CCC[C@@H]12 170651894 XHQRUVRNJLPRBC-HTQZYQBOSA-N 266.370 0.809 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1Cc1csnn1 188912337 MOLPVPZRHDJKLC-SNVBAGLBSA-N 254.359 0.885 0 50 CCAA CO[C@H]1COC[C@H]1S(=O)(=O)NCCCc1ccccc1 644228465 MNUMTXIKPPNIKJ-UONOGXRCSA-N 299.392 0.952 0 50 CCAA C=CC(=O)NC[C@@H]1C[C@H](F)CN1c1nnc(C)o1 585122762 XOJAZKMWQNAUON-IUCAKERBSA-N 254.265 0.597 0 50 CCAA NC(=O)[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1C(N)=O 585116578 BNKZJZQJBGLOBX-HTQZYQBOSA-N 287.772 0.420 0 50 CCAA CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 192570576 OELVFEXHURXEMA-SECBINFHSA-N 296.352 0.209 0 50 CCAA CCc1cc(N[C@@H]2CCN(C)C(=O)C2)n2ncnc2n1 683396231 SUHJMDNPJYGRBL-SNVBAGLBSA-N 274.328 0.719 0 50 CCAA CCn1ccc(CC(=O)NCc2nc(C(=O)O)cs2)n1 652060212 BEVXVIUZBOMZCX-UHFFFAOYSA-N 294.336 0.917 0 50 CCAA O=C(O)CCNC(=O)NCCO[C@@H]1CC1(F)F 659404864 GNDXMJCRVOETMA-ZCFIWIBFSA-N 252.217 0.185 0 50 CCAA Cc1ncoc1CNS(=O)(=O)c1ccnn1C 907597590 JWLGEZTWPNXHKA-UHFFFAOYSA-N 256.287 0.195 0 50 CCAA CCn1ncnc1CN1C[C@@H](O)[C@H](Cc2cc(C)no2)C1 1529192530 WZRMCDHVGRFSKP-DGCLKSJQSA-N 291.355 0.630 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2O)n[nH]1 1529107178 XDWDKFWWAAOTLG-TZMCWYRMSA-N 286.335 0.789 0 50 CCAA Cn1nncc1C(=O)N1CCC[C@H](OCC2CC2)C1 253395953 WEZZKXHEVDXULQ-NSHDSACASA-N 264.329 0.846 0 50 CCAA CCOc1ccc(S(=O)(=O)N(C)CCC(=O)O)cn1 262369349 FEDOHVFCYAIKDL-UHFFFAOYSA-N 288.325 0.576 0 50 CCAA O=C(NC[C@@H](O)Cn1ccnn1)c1ccc(Cl)o1 1615590238 JQWITXXWQPRKNY-SSDOTTSWSA-N 270.676 0.315 0 50 CCAA N[C@@H]1C[C@@H](NC(=O)Cn2ncc3cccnc32)C12CCC2 1615555429 SYFGYWOOOSULRO-VXGBXAGGSA-N 285.351 0.817 0 50 CCAA CC(C)(C(=O)N[C@@H]1C[C@@H](N)C12CCC2)n1ccc(N)n1 1615555289 POYJMAGVQINBBG-NXEZZACHSA-N 277.372 0.587 0 50 CCAA Cc1noc([C@@H](NC(=O)COC2CCNCC2)C(C)C)n1 1615046110 XDTSRJDDXSOYPG-ZDUSSCGKSA-N 296.371 0.960 0 50 CCAA C[C@@H]1CN(C(=O)[C@]2(C)CCCN2)C[C@@]2(CCNC2)O1 1616041279 NRHUVRLOEGPALX-XBFCOCLRSA-N 267.373 0.108 0 50 CCAA COC(=O)[C@H](N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 35630219 IOYJGIAHVAQCPO-RKDXNWHRSA-N 258.318 0.744 0 50 CCAA in-vitro Cn1ccc(C=Cc2nc(O)c3cnn(C)c3n2)n1 1857527887 ATNBBVBGHCYCGD-UHFFFAOYSA-N 256.269 0.973 0 50 CCAA COc1ccccc1[C@H]1C(C(N)=O)=C(C)N=C2N=CNN21 13125237 NFJZJTREEDFDPE-LBPRGKRZSA-N 285.307 0.714 0 50 CCAA COC(=O)c1cncc(I)n1 167718001 KSNWVEBQMJXUDK-UHFFFAOYSA-N 264.022 0.868 0 50 CCAA CCCN1N=C(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 4316607 TUXAOMHIEVFQQI-UHFFFAOYSA-N 290.327 0.040 0 50 CCAA CCCN(C(=O)c1ccncc1)[C@@H]1CC(=O)N(C)C1=O 241316945 LWHLZWXTHFGFFT-LLVKDONJSA-N 275.308 0.691 0 50 CCAA O=CN1CCCN(C[C@H](O)COc2ccc(F)cc2)CC1 253426142 YGQLPEZXQZQPEX-AWEZNQCLSA-N 296.342 0.730 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc2c(c1)OCC(=O)N2 262002888 USBJPPIZDVYLDX-OQPBUACISA-N 291.307 0.333 0 50 CCAA COc1cc(C)nc(N2C[C@@H](C(=O)O)[C@@H](C)C2)n1 164104347 UEKLWUDHPMECNP-IONNQARKSA-N 251.286 0.951 0 50 CCAA O=C(NCc1cc[nH]n1)[C@H]1NCCOc2ccccc21 1646729648 SIWQSZNIXUFVAO-ZDUSSCGKSA-N 272.308 0.749 0 50 CCAA NC(=O)c1cccc(C(=O)N2CCc3nc[nH]c3C2)n1 929080651 JNRIUIPOCUEUQH-UHFFFAOYSA-N 271.280 0.102 0 50 CCAA COc1ccncc1NC(=O)[C@H]1NCCO[C@@H]1C 262388050 XQXVVIUIPYUSST-KCJUWKMLSA-N 251.286 0.406 0 50 CCAA COC1(CC(=O)N2CCC(O)(C(=O)O)CC2)CCC1 262728125 ABWGJKYOWOWLLT-UHFFFAOYSA-N 271.313 0.384 0 50 CCAA O=C(O)C1(CNS(=O)(=O)c2ccccc2)CCOCC1 165949064 CKMPLQYBZWBRGQ-UHFFFAOYSA-N 299.348 0.846 0 50 CCAA NC(=O)CN(Cc1ccccc1)C(=O)N1CCOCC1 181643752 PAOFMKJWFXTJGJ-UHFFFAOYSA-N 277.324 0.426 0 50 CCAA O=C(NC[C@H]1CCCNC1)c1ccn2cnnc2c1 97527171 ULAHFLXQJKKGGU-JTQLQIEISA-N 259.313 0.459 0 50 CCAA Cn1nnc(CNC[C@H](O)c2c(F)cccc2F)n1 398073627 KPTGONUHRMTTHH-VIFPVBQESA-N 269.255 0.312 0 50 CCAA COCCn1c(=O)[nH]c(=O)c2c(-c3ccco3)ccnc21 10339045 IQVLTXFKNMXHML-UHFFFAOYSA-N 287.275 0.991 0 50 CCAA C[C@]1(C(=O)OCc2cnns2)CCNC(=O)C1 904175309 WGRMMMHURFSIHV-JTQLQIEISA-N 255.299 0.498 0 50 CCAA CCOC(=O)CS(=O)(=O)c1ccc(NC(C)=O)cc1 396250 PCIPTNIPCSLGLF-UHFFFAOYSA-N 285.321 0.982 0 50 CCAA O=C([C@H]1CCc2ncnn2C1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356151438 INDNZGIDADLAHP-WUHRBBMRSA-N 290.367 0.745 0 50 CCAA CC(=O)c1ccccc1OC[C@H](O)CNS(=O)(=O)O 3190343 ATIJBOVNYQIOME-SECBINFHSA-N 289.309 0.021 0 50 CCAA Cc1cc(C)n(CC(=O)N2CCC(N3CC(O)C3)CC2)n1 2356167384 NUNWGHSACVAHLC-UHFFFAOYSA-N 292.383 0.167 0 50 CCAA O=C(NS(=O)(=O)c1cnccn1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 225439659 RVRDINFLAARNNE-OINDSLJFSA-N 293.348 0.574 0 50 CCAA Cc1ccnc(C[C@H](C)N(C)C(=O)CS(C)(=O)=O)c1 55154467 OFIBAPXEVNFQHZ-NSHDSACASA-N 284.381 0.824 0 50 CCAA COC(=O)[C@H]1CNC[C@H](NC(=O)OC(C)(C)C)C1 22014218 NFLXTMHXWFFYGU-RKDXNWHRSA-N 258.318 0.662 0 50 CCAA CC(C)Cc1n[nH]c(CCn2ccc(=O)[nH]c2=O)n1 65432927 TYMZVGSPKFWKLZ-UHFFFAOYSA-N 263.301 0.096 0 50 CCAA Cc1nonc1OCCN[C@H](C)C(=O)NC1CCCC1 65490838 YTSJPLLWSIKYKH-SECBINFHSA-N 282.344 0.794 0 50 CCAA O=C(Cn1cnnn1)N[C@H](Cn1ccnc1)c1ccccc1 219572505 QITVVOOQRRTKGS-CYBMUJFWSA-N 297.322 0.427 0 50 CCAA CCCOc1ccc(S(=O)(=O)NCCO)cc1 35610831 GKJBYTKFMLUZSP-UHFFFAOYSA-N 259.327 0.746 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@@H](C)N1 153300027 WKHNJVCWOGHBFU-PHIMTYICSA-N 290.367 0.677 0 50 CCAA CSCC1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 214993355 RUHVJBHXLVTALG-UHFFFAOYSA-N 281.381 0.996 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1cccc(N(C)C)n1 860412670 AXAVOTVFUZGHQS-UHFFFAOYSA-N 276.340 0.408 0 50 CCAA CC(C)(C)c1csc(CCNC(=O)[C@H]2C[C@@H](O)CN2)n1 236621220 INZBTFBHOFQLBX-NXEZZACHSA-N 297.424 0.822 0 50 CCAA CN(CCCCN1CCOCC1)C(=O)c1cn[nH]c1 216074816 YGCPWMIFEWJJKN-UHFFFAOYSA-N 266.345 0.594 0 50 CCAA C[C@@H]1[C@H](N2CCOCC2)CCN1c1ccnc(C(N)=O)c1 378062390 USQKVLHEFHZLHG-BXUZGUMPSA-N 290.367 0.480 0 50 CCAA CCNc1nc(C)c(C(=O)N[C@H](C)c2nc(=O)[nH][nH]2)s1 215496084 YFESZNDKWXABSE-ZCFIWIBFSA-N 296.356 0.786 0 50 CCAA CO[C@H]1C[C@@H](CN(C)Cc2ccc(CO)o2)N(C)C1 284475401 ANJJURYLDJTLSG-FZMZJTMJSA-N 268.357 0.923 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)c2cc(-n3cccn3)ccn2)C1 178269148 CXGYKJNEVILELQ-SNVBAGLBSA-N 286.291 0.814 0 50 CCAA Cc1cc(CC(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)on1 221237353 FGRXMMGOHCGTOX-AWEZNQCLSA-N 293.323 0.969 0 50 CCAA CC[C@@H](NC(=O)c1cnc(C)[nH]c1=O)c1cnn(C)c1 221416975 DZTGYZQVKAFQBX-LLVKDONJSA-N 275.312 0.693 0 50 CCAA CN(CCC[C@H]1CCCO1)C(=O)c1cncc(=O)[nH]1 426470790 HUHFNXJYBZQPCF-JTQLQIEISA-N 265.313 0.801 0 50 CCAA CC(C)c1nccc(C(=O)N[C@H]2CCCNC2=O)n1 426442805 AWNWZRBSBXBCGO-VIFPVBQESA-N 262.313 0.608 0 50 CCAA Cc1cc(C)nc(CCNC(=O)CN2CCOC2=O)n1 220543083 FCBGVWFXAFATBT-UHFFFAOYSA-N 278.312 0.204 0 50 CCAA Cc1ccccc1OC[C@H](O)C(=O)NC1(C(=O)O)CC1 426529207 GDDADBZMOIYDLI-JTQLQIEISA-N 279.292 0.468 0 50 CCAA C[C@@]1(O)CCN(C(=O)C(=O)CCc2ccccc2)C[C@@H]1O 96138833 JZMCNEHISPPFGB-GOEBONIOSA-N 291.347 0.533 0 50 CCAA C[C@@H](C(=O)NCCc1cnn[nH]1)N1CCCCC1 426589116 SKOSBDFKWCORHQ-JTQLQIEISA-N 251.334 0.338 0 50 CCAA Cc1ccc2c(c1)nc(CN1CCN(CCO)CC1)n2C 95331066 YDGHLTNHJPOUBX-UHFFFAOYSA-N 288.395 0.992 0 50 CCAA CC(C)[C@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 230211649 CIBPXLJEAPEGHK-YPMHNXCESA-N 294.351 0.761 0 50 CCAA CNCCN(C)C(=O)c1cc(N2CCNC2=O)ccc1F 237346232 LTQXYEDXQDQBML-UHFFFAOYSA-N 294.330 0.647 0 50 CCAA O=C1NCCCc2[nH]c([C@H]3CCCN(CCO)C3)nc21 95527462 LSKVIZCGAXUNBC-JTQLQIEISA-N 278.356 0.257 0 50 CCAA CC1=NO[C@@H](C(=O)NCCCn2nc(C)nc2C)C1 244840348 ULIHRRIASYHJMT-LLVKDONJSA-N 265.317 0.566 0 50 CCAA CC[C@](C)(CC(=O)O)NC(=O)CN1CSCC1=O 299752563 UPCURAAOZKLZMZ-LLVKDONJSA-N 274.342 0.279 0 50 CCAA Cc1ccccc1[C@@H](CNC(=O)C1(C(N)=O)CC1)N(C)C 534632598 NVYSKXZPKFOBEB-CYBMUJFWSA-N 289.379 0.979 0 50 CCAA Cc1nonc1[C@@H]1CCCN1C(=O)CCc1nc(O)n[nH]1 1940195312 LBIRHXSMQNWQMY-QMMMGPOBSA-N 292.299 0.498 0 50 CCAA C[C@H](Nc1cncc(C(=O)N(C)C)n1)C(C)(C)O 823642007 QDEMQAHYPKEQJH-QMMMGPOBSA-N 252.318 0.750 0 50 CCAA CC(C)(C)n1nc(CC(N)=O)nc1C1CCOCC1 826842124 KIMVJSOOBIXVKI-UHFFFAOYSA-N 266.345 0.955 0 50 CCAA CCCN1CCC(N2C[C@@H](CO)[C@H](CO)C2)CC1 822920256 XMUXSCRWMKHJEQ-STQMWFEESA-N 256.390 0.393 0 50 CCAA C[C@@H](O)[C@@](O)(Cn1cncn1)c1cc(F)ccc1F 136770899 WYBYSZZTJKCLBE-PELKAZGASA-N 269.251 0.825 0 50 CCAA COC[C@H]1CCCN1S(=O)(=O)NC1(C)CCNCC1 824371095 WLMIKPZCSZNZBW-LLVKDONJSA-N 291.417 0.074 0 50 CCAA CCN1CCN(CC(=O)N2CCCC[C@@H]2C(=O)O)CC1 737116004 RPMDFYIUVXUDAJ-GFCCVEGCSA-N 283.372 0.090 0 50 CCAA C[C@@H](C(=O)NCCCn1cc(Cl)cn1)n1cnnn1 670473802 MAHTUFYVWOOEBP-QMMMGPOBSA-N 283.723 0.291 0 50 CCAA CON1CCC(CC(=O)NC[C@@H]2CCCN2)CC1 864091276 AOXHZDKTVGSYMP-LBPRGKRZSA-N 255.362 0.518 0 50 CCAA Cn1nccc1[C@@H](O)CNC(=O)N[C@@H]1C[C@H]1C(F)(F)F 1548453504 VSZQXMOHUSIYOI-BHNWBGBOSA-N 292.261 0.704 0 50 CCAA O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCCc2nn[nH]c21 1875270040 UTTOHUHUNBEXSK-ATZCPNFKSA-N 262.313 0.899 0 50 CCAA O=C(NC[C@@H]1CSCCO1)c1cc(O)nc(C2CC2)n1 1875307294 MULBIVNFOJDILL-SECBINFHSA-N 295.364 0.921 0 50 CCAA CCOCCN1CCC(CNC(=O)c2ccnnc2)CC1 952984637 XRFUJMCVZUSCQS-UHFFFAOYSA-N 292.383 0.955 0 50 CCAA CN(C)c1c[nH]ccc1=NC(=O)N1C[C@H](N)C2(CCC2)C1 1775962447 LCWLRGKLBNKHNK-ZDUSSCGKSA-N 289.383 0.915 0 50 CCAA CNc1nc(C)cc(C(=O)N[C@H](C)Cc2cn(C)nn2)n1 1434347043 ORAFJNPAZZNCJN-MRVPVSSYSA-N 289.343 0.316 0 50 CCAA Cc1noc(C)c1CC(=O)N1CC[C@](C)(O)[C@H](O)C1 1565513224 XYVQHUCGTYZOJM-YPMHNXCESA-N 268.313 0.178 0 50 CCAA Cn1nccc1-c1cn(CCO[C@H]2CCOC2)nn1 899736050 UMZOXYKHMGYBEG-JTQLQIEISA-N 263.301 0.484 0 50 CCAA CC(C)n1ccc(=NC(=O)N[C@H]2CCS(=O)(=O)C2)[nH]1 408401309 CEUGTCMHYCNOAA-VIFPVBQESA-N 286.357 0.195 0 50 CCAA Cc1cc(C)n(-c2ccc(C(=O)NCc3nnc[nH]3)cn2)n1 170595167 MPFKXBHJKAXAEV-UHFFFAOYSA-N 297.322 0.932 0 50 CCAA O=C1COc2cc(C(=O)N[C@@H]3CCCOC3)ccc2N1 170936636 HFKTYOKVVRNTHW-SNVBAGLBSA-N 276.292 0.926 0 50 CCAA COC(=O)c1cccc(C(=O)N(C)CCC(=O)O)n1 577952758 ZVQIGPMWNBVVHF-UHFFFAOYSA-N 266.253 0.415 0 50 CCAA Cn1nc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)cc1O 668745995 VMFOVDPYHMPBKE-MRVPVSSYSA-N 261.285 0.136 0 50 CCAA O[C@@]1(C(F)(F)F)CCN(C[C@H]2CCc3ncnn32)C1 639512222 AUYMHJQFJODERY-SCZZXKLOSA-N 276.262 0.765 0 50 CCAA Cn1ncc2c(=O)n(Cc3ncc(C4CC4)o3)nnc21 677654115 YHBXYQNYCMYRSK-UHFFFAOYSA-N 272.268 0.439 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 584954087 FOFUUJLACWSDOD-DDHJSBNISA-N 299.135 0.154 0 50 CCAA NCCCC(=O)N1CCCN(Cc2cscn2)CC1 573602574 QSJQAMMQVQNYKK-UHFFFAOYSA-N 282.413 0.916 0 50 CCAA CCOc1nc(N2CCO[C@H]3CNC[C@H]32)ncc1Cl 1857530759 RCROVEGPNXLDQB-ZJUUUORDSA-N 284.747 0.706 0 50 CCAA O=C1CO[C@H](C(=O)N2CCCC2)[C@@H](c2ccccc2)N1 1529154131 HPUGUYDAPXBXPB-KGLIPLIRSA-N 274.320 0.865 0 50 CCAA Cn1cccc1C(=O)N1CCOC[C@@H]1CC(=O)O 128240730 VLRGKYXLBUNSNL-VIFPVBQESA-N 252.270 0.341 0 50 CCAA CSCC(=O)N1C[C@H](O)[C@H](Cc2cc(C)no2)C1 1704350733 CZFGXBSUCJUTLJ-KOLCDFICSA-N 270.354 0.708 0 50 CCAA O=C(Nc1ccc2c(c1)OCO2)N1C[C@H](O)[C@@H](F)C1 1616106703 PAZLMSHJMZABHC-IUCAKERBSA-N 268.244 0.962 0 50 CCAA O=C(c1cncc(Cl)c1)N1C[C@H]2[C@H](C1)C2(CO)CO 1772712640 XFZDMQVWMFXZIM-QWRGUYRKSA-N 282.727 0.408 0 50 CCAA CCN1CCn2c(nnc2-c2cc(C)nn2C)C1=O 1772816602 PPOQJWUPYLNPQE-UHFFFAOYSA-N 260.301 0.463 0 50 CCAA O=C(CSc1ncnc2nc[nH]c12)N1CCOCC1 12139039 SKJBAPLAPXJGJG-UHFFFAOYSA-N 279.325 0.304 0 50 CCAA COc1ccc(OC)c(NC(=O)CN2CCNCC2)c1 19797588 ZYCUBWMKDGXUFK-UHFFFAOYSA-N 279.340 0.548 0 50 CCAA CNC(=O)c1nc([C@@H]2CC(=O)N(C3CC3)C2)[nH]c1C 200574829 MCXOVTOHBVLXEB-MRVPVSSYSA-N 262.313 0.556 0 50 CCAA CC1(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 151740681 CSVLGEKJXZKPNC-UHFFFAOYSA-N 274.386 0.574 0 50 CCAA O=C1CCCN1CC(=O)N1CCO[C@H](c2cccnc2)C1 1857686074 GVWAEVLWNHAQRO-ZDUSSCGKSA-N 289.335 0.604 0 50 CCAA O=c1/c(=C\c2c[nH]c3ccccc23)sc2n1CCN=2 228965 XOLQVFIILFDGHF-KPKJPENVSA-N 269.329 0.853 0 50 CCAA CCCn1cnnc1CNC(=O)[C@@H]1CC[C@H](N)C1 216937602 ISDHZOKBBPGIAK-ZJUUUORDSA-N 251.334 0.432 0 50 CCAA O=c1c2ccccc2ncn1C[C@]1(O)CCCOC1 656693786 IPZHKZJSDHNCOH-CQSZACIVSA-N 260.293 0.938 0 50 CCAA O=C([C@H]1CCCN1)N1CC[C@](O)(C(F)(F)F)C1 261547890 IUZFQMBRZIYVDT-VXNVDRBHSA-N 252.236 0.264 0 50 CCAA C[C@]1(C(=O)Nc2nncn2C2CC2)CCCNC1=O 375818654 JEPAHQUIMPSYDC-LBPRGKRZSA-N 263.301 0.468 0 50 CCAA Cn1nc(C(=O)N2C[C@@H](N)C[C@@H](O)C2)c2ccccc21 1857671167 OOFCUCOSNNBRMP-VHSXEESVSA-N 274.324 0.107 0 50 CCAA Nc1cc(C(=O)N2CCC[C@@H](C3(O)CC3)C2)[nH]n1 1772807418 VRGBTUCTMNXDAN-MRVPVSSYSA-N 250.302 0.369 0 50 CCAA Cn1cncc1CN1CCCC[C@@H]1CS(N)(=O)=O 931231399 HGZNHESGCYCSHM-SNVBAGLBSA-N 272.374 0.063 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC(c2cnn(C)c2)CC1 859486926 ZVVRUGZRVOCZMH-UHFFFAOYSA-N 290.367 0.771 0 50 CCAA COC[C@H](O)CN1CCNC(=O)C[C@@H]1c1ccccc1 126506396 MALYCLCLBLRVGZ-ZIAGYGMSSA-N 278.352 0.557 0 50 CCAA C[C@H]1[C@H]2[C@@H](N(C)C(=O)N1C)N(C)C(=O)N(C)[C@@H]2C 245377188 IPCWYXAIQSTRTG-FIRGSJFUSA-N 254.334 0.700 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C)CCCn1cccn1 823647179 GDYLVSWXUNOZNF-LLVKDONJSA-N 259.375 0.638 0 50 CCAA CC(C)Cn1ncnc1CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 375767752 INKFRUIEHUITAJ-NWDGAFQWSA-N 298.412 0.553 0 50 CCAA COc1ccccc1OC[C@@H](O)CNC[C@@](C)(O)CCO 2325783277 KAEQSFSXBXBJNX-WFASDCNBSA-N 299.367 0.158 0 50 CCAA OCC1(N=c2nc(Cc3ccc(F)cc3)[nH]o2)COC1 2325802581 OPGPYDOGKXZPMB-UHFFFAOYSA-N 279.271 0.395 0 50 CCAA CCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O 2865943 USLSJLHOZZMMOD-UHFFFAOYSA-N 284.381 0.627 0 50 CCAA COCCOc1cc2nc[nH]c(=O)c2cc1OCCOC 4302043 PMQWTUWLIGJTQD-UHFFFAOYSA-N 294.307 0.974 0 50 CCAA in-vitro CCN1CCC[C@@H](CNS(=O)(=O)C[C@H](C)OC)C1 225428035 RFUUNSGVMDZQJO-RYUDHWBXSA-N 278.418 0.673 0 50 CCAA CNC(=O)CN1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 225453725 JUMPVAHVEDRPPQ-SNVBAGLBSA-N 289.326 0.312 0 50 CCAA C[n+]1cccc(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101871976 HEMUIXMMIUNTKT-IGQOVBAYSA-N 269.324 0.818 0 50 CCAA CCCN1CCC(CNC(=O)C(=O)N2CCCC2)CC1 67983234 SKKHJAQMVWCWBZ-UHFFFAOYSA-N 281.400 0.847 0 50 CCAA CS(=O)(=O)N1CCC[C@@H]1CNCC1=CCCOC1 120267451 AKQMKMZTECGAAH-GFCCVEGCSA-N 274.386 0.347 0 50 CCAA O=C(N[C@@H]1CCOC1)c1ccnc(NC(=O)C2CC2)c1 354338264 FEBZILRWJKJBFC-LLVKDONJSA-N 275.308 0.949 0 50 CCAA C[C@H](CCO)N(Cc1ccccc1)C(=O)C(=O)O 328593989 GIOIFBVDOUKASY-SNVBAGLBSA-N 251.282 0.871 0 50 CCAA CCN1CCN(C(=O)CCOC)C[C@H]1c1ncc[nH]1 328628578 NXIBEISBVRTXOY-NSHDSACASA-N 266.345 0.651 0 50 CCAA O=C(O)c1cncc(N2CCCn3nc(CO)cc3C2)n1 217544561 KBIHUWMGBYSNLE-UHFFFAOYSA-N 289.295 0.274 0 50 CCAA CNC(=O)c1cncc(/C=C/C(=O)N2CCNC[C@H]2C)c1 124470362 OYUWANYGECEICL-PGLGOXFNSA-N 288.351 0.275 0 50 CCAA N[C@H]1CCCCC[C@H]1NCCCN1CCNCC1 331922938 CIFZCXJXFLZFKQ-UONOGXRCSA-N 254.422 0.531 0 50 CCAA CCN(C)S(=O)(=O)Nc1cccc2c1CCNC2=O 332682502 FHOUWQOSAQJQHR-UHFFFAOYSA-N 283.353 0.581 0 50 CCAA NC(=O)C1(NC(=O)c2cccc(-n3cnnc3)c2)CCCC1 215790131 AQJXPZWWQNXNFZ-UHFFFAOYSA-N 299.334 0.795 0 50 CCAA CN1CCC([C@@H]2CCN(S(=O)(=O)N3CCC3)C2)CC1 367553826 QJDFTIYZGBUPIZ-CYBMUJFWSA-N 287.429 0.601 0 50 CCAA CN(CCCc1cnn(C)c1)C(=O)C[C@@H]1COCCN1 72166763 OROBLZHMMSOXPC-CYBMUJFWSA-N 280.372 0.190 0 50 CCAA CN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)CCCC2=O 263228409 RUCYJWMCNDSYHB-UHFFFAOYSA-N 297.332 0.911 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2ccc3nccn3c2)CCO1 178232429 IUOSDVRTCPVLME-JTQLQIEISA-N 275.264 0.260 0 50 CCAA CN(C[C@H](O)Cn1cnc(C2CCC2)cc1=O)C1CC1 290780769 MVTRTNFQDPIJDK-ZDUSSCGKSA-N 277.368 0.966 0 50 CCAA O=C(Cc1ccsc1)NCCN1CCNC1=O 221189906 DQTYLJNVBWSUBF-UHFFFAOYSA-N 253.327 0.432 0 50 CCAA CC(C)(C)c1cc(CNC(=O)Cn2ccnn2)[nH]n1 426662324 SLXQQKIDIZXSJA-UHFFFAOYSA-N 262.317 0.615 0 50 CCAA CNCCCNC(=O)CCn1c(C)cccc1=O 97594859 KCJWMCRLSIDEKV-UHFFFAOYSA-N 251.330 0.273 0 50 CCAA CCOc1cccnc1C(=O)N1CCO[C@@H](C(=O)O)C1 299751171 PTWYOSKOPBVFOB-SNVBAGLBSA-N 280.280 0.406 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@H]4[C@H]2[C@]2(F)[C@@H]1[C@H]3[C@H]42 254703060 MCRDYFROONDLDI-BILJDXIVSA-N 297.289 0.740 0 50 CCAA CS(=O)(=O)CCC(=O)NCc1nc2ccccc2o1 354731364 OFHAFBXECXBGKG-UHFFFAOYSA-N 282.321 0.879 0 50 CCAA N[C@H]1CCN(S(=O)(=O)CCOc2ccccc2)C1 534639255 WXQWVOGJHSANME-NSHDSACASA-N 270.354 0.428 0 50 CCAA Cc1cnc([C@@H](C)NC(=O)CSc2nnnn2C)[nH]1 534584500 ONHGGQQMGMFXAX-SSDOTTSWSA-N 281.345 0.211 0 50 CCAA CC(C)n1cccc1C(=O)NCc1noc(C(N)=O)n1 534651732 KJBYHNXDLJMIHN-UHFFFAOYSA-N 277.284 0.481 0 50 CCAA CN(C)c1ncnc2c1CCN(C(=O)[C@H]1CCCCO1)C2 299789039 WHPULIJUWZHPCU-CYBMUJFWSA-N 290.367 0.996 0 50 CCAA CC(C)n1cnnc1CCNC(=O)c1ccc(N)nc1 299776452 KXRMPZJQCJMHQN-UHFFFAOYSA-N 274.328 0.809 0 50 CCAA CC(C)N1CCC[C@H]1CNC(=O)c1cncnc1O 821746048 OZDIULFJDVXJRP-JTQLQIEISA-N 264.329 0.785 0 50 CCAA CN1CCN(CC2(CNC(=O)[C@H]3CCOC3)CC2)CC1 823789076 BMICKFWJMUCCQS-ZDUSSCGKSA-N 281.400 0.167 0 50 CCAA Nc1nc(CCNC(=O)C[C@@H]2CCOC2)cs1 584894787 VTKWSANISPDRDQ-QMMMGPOBSA-N 255.343 0.811 0 50 CCAA CC(C)[C@@H](O)C(=O)NCC1(N(C)C)CCN(C)CC1 584896502 KSDDBRWQCVPYIK-GFCCVEGCSA-N 271.405 0.146 0 50 CCAA CC(=O)NCc1nc(Cc2cccs2)nn1CCO 670438883 FVBIFJDRGRDMQB-UHFFFAOYSA-N 280.353 0.559 0 50 CCAA Cc1ncn(C)c1C(=O)N1CCC2(CCC(=O)N2C)CC1 670441527 VOFIIGPWFOAFPF-UHFFFAOYSA-N 290.367 0.956 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)Cn2ccc(C)n2)C1 670443793 GUNQVJUDNFEASG-LLVKDONJSA-N 264.329 0.176 0 50 CCAA NC[C@@H]1CCCc2ccc(C(=O)N[C@@H]3CNC[C@@H]3O)cc21 1548573666 SLECFQQYYVTXEA-CFVMTHIKSA-N 289.379 0.128 0 50 CCAA CC(=O)c1ccc(S(N)(=O)=O)cc1NC[C@H](C)N(C)C 952992723 RTIQMGGVDMZPHP-VIFPVBQESA-N 299.396 0.899 0 50 CCAA CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H](CC(N)=O)C1 163792092 VDEQWVJNSYUTKV-GXSJLCMTSA-N 255.362 0.474 0 50 CCAA CN1CCN(C(=O)c2csc([C@H]3CCCNC3)n2)CC1 1875277331 XXJDUHZJVWROEA-NSHDSACASA-N 294.424 0.998 0 50 CCAA O=C(N[C@H]1C[C@]12CCc1ccccc12)C(=O)N1CC(F)C1 1875281649 NFZLBAJTSUIWJB-BBRMVZONSA-N 288.322 0.939 0 50 CCAA CC1(C)[C@H](O)C[C@@H]1CC(=O)N1CCN2C(=O)CC[C@@]21C 1875297747 CGUNDBVDVYOBAL-HFAKWTLXSA-N 280.368 0.964 0 50 CCAA COC(=O)c1cc(-c2cnc3c(c2)C[C@H](N)C(=O)N3)c[nH]1 1875355868 CSEGDPXQSGWONY-JTQLQIEISA-N 286.291 0.685 0 50 CCAA CN(C)C/C=C/C(=O)NCc1ncccc1S(C)(=O)=O 1875375869 QOBJIVYCXULSBU-FNORWQNLSA-N 297.380 0.219 0 50 CCAA O=C([C@@H]1C[C@H]1C1CCOCC1)N(C1CC1)[C@@H]1COC[C@H]1O 1875396556 MMTXKXBQJPMHMA-GBJTYRQASA-N 295.379 0.800 0 50 CCAA Nc1cc(=O)[nH]c(SCC(=O)N2CCCCCC2)n1 16051172 XIYXXNCUDCMMMZ-UHFFFAOYSA-N 282.369 0.847 0 50 CCAA CN1CC[C@@](N)(c2nc(CC3CCOCC3)no2)C1 888078095 OFQPBUQLWVHHAW-ZDUSSCGKSA-N 266.345 0.528 0 50 CCAA CC[C@@H]1CN([C@H]2CCOC2=O)CCN1C[C@H](C)O 247218144 QHNXOWWQDGHQHP-TUAOUCFPSA-N 256.346 0.079 0 50 CCAA C=CC(=O)NCCC(=O)NC[C@@H]1COC2(CCCCC2)O1 271951310 UBHRZQLIGYOURG-GFCCVEGCSA-N 296.367 0.871 0 50 CCAA O=C(N=c1[nH]ncs1)N1CCC[C@@H](c2nc[nH]n2)C1 408353083 XSPZKXQFAPNNFT-SSDOTTSWSA-N 279.329 0.490 0 50 CCAA CCn1cncc1S(=O)(=O)N(C)C1CCN(C)CC1 408393085 LKFSDSCJJHASCP-UHFFFAOYSA-N 286.401 0.618 0 50 CCAA O=C(NCc1cnn[nH]1)c1ccc(N2CCCC2)nn1 673948766 RUDIXUHCXIEMKX-UHFFFAOYSA-N 273.300 0.125 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2ccon2)C1 643815525 NCZUIVJNPCTOTR-GFCCVEGCSA-N 253.302 0.138 0 50 CCAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC[C@@H](O)[C@H]1C 654165384 HGRQOHLNJUJUKB-WKPIXPDZSA-N 288.347 0.946 0 50 CCAA CC(C)(O)CONC(=O)[C@H]1CSCCS1 788220152 QQCBIBPMDMDZSK-SSDOTTSWSA-N 251.373 0.654 0 50 CCAA COCCN1CC[C@H](CNc2cnc(C(=O)O)cn2)C1 1506425929 SOWYLRPGOODOJE-SNVBAGLBSA-N 280.328 0.555 0 50 CCAA CCOCCn1nc(CC(N)=O)nc1-c1c(C)ncn1C 1857722708 LLJPUNNZRAMQND-UHFFFAOYSA-N 292.343 0.051 0 50 CCAA COc1cccc(C(=O)N2CC[C@H](N)[C@@H](O)C2)c1C 216613484 VVIDBZWMIQIZAW-RYUDHWBXSA-N 264.325 0.538 0 50 CCAA CCc1ncc(NC(=O)[C@]23CNC[C@H]2CCOC3)cn1 1615613569 AJJNPGAFPVOCCZ-YGRLFVJLSA-N 276.340 0.604 0 50 CCAA COc1cc(CNS(C)(=O)=O)cc(OC)c1OC 13672662 SZSFZUPYXSZCCD-UHFFFAOYSA-N 275.326 0.762 0 50 CCAA N[C@@H]1CC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[C@H]1O 1857715373 OSCRORLNCDQRBR-QJPTWQEYSA-N 292.335 0.520 0 50 CCAA COCC[C@H]1COCCN1c1nc(O)c2cnn(C)c2n1 573857606 AATFJKDKONKNFA-VIFPVBQESA-N 293.327 0.311 0 50 CCAA O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cccc(CO)c1 365981334 NQWRVRYWDJHOPE-OAHLLOKOSA-N 290.363 0.772 0 50 CCAA OCC1(Cn2cc([C@H](O)c3ccccc3)cn2)COC1 902852457 UNCIYSROFFPPOX-CQSZACIVSA-N 274.320 0.974 0 50 CCAA O=C(O)[C@@H]1c2ccccc2OCCN1S(=O)(=O)C1CC1 903516232 XPQMZQDWXDPZEN-LBPRGKRZSA-N 297.332 0.999 0 50 CCAA COCCn1nnnc1NC(=O)c1cncc(Cl)c1 906293055 BJDIQBNLRAWVDD-UHFFFAOYSA-N 282.691 0.620 0 50 CCAA NCc1ccc2nc(C(=O)N[C@H]3CCCNC3)cn2c1 911674244 RHGCKLWMJJAWPJ-NSHDSACASA-N 273.340 0.275 0 50 CCAA NS(=O)(=O)C1CCN(C(=O)NC2CCCCC2)CC1 225853191 CXIQONFUVGXBDT-UHFFFAOYSA-N 289.401 0.782 0 50 CCAA CCNC(=O)C1CN(C(=O)c2ccc3[nH]nnc3c2)C1 121249874 HGTQCQPHLUPMKJ-UHFFFAOYSA-N 273.296 0.166 0 50 CCAA O=C1CN(C(=O)C2Cc3ccccc3C2)CCCN1 236416767 DSTOCENUGVTINW-UHFFFAOYSA-N 258.321 0.750 0 50 CCAA CCCS(=O)(=O)NC1CCN(Cc2cc[nH]n2)CC1 129787659 PCOYSHVCOWFSSS-UHFFFAOYSA-N 286.401 0.704 0 50 CCAA COc1cccc(C(=O)N2CCOC[C@H]2C(=O)O)c1F 262138209 LPCVHQYPTLZJKG-VIFPVBQESA-N 283.255 0.760 0 50 CCAA COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CO)C1 408463682 CLFXBWMKQNWDFT-AXFHLTTASA-N 255.314 0.559 0 50 CCAA C[C@@]1(C(=O)O)CCCN1C(=O)CCc1cn[nH]c1 426485475 AIOXWFMMWCKFME-LBPRGKRZSA-N 251.286 0.808 0 50 CCAA Cc1cnc(CSc2nnc(CN)n2C)cn1 426615177 PWHFCAPZDMJFKF-UHFFFAOYSA-N 250.331 0.665 0 50 CCAA CC(C)(CC(=O)N1CCC[C@@](O)(C(N)=O)C1)C(F)(F)F 375776504 VKAGVJRQSPKPJI-NSHDSACASA-N 296.289 0.804 0 50 CCAA CCN1CCN(C2CCN(S(C)(=O)=O)CC2)CC1 823112935 RVDDDXBACUHQEA-UHFFFAOYSA-N 275.418 0.048 0 50 CCAA Nc1nnc(Cn2nnc(-c3ccccc3F)n2)s1 10336149 DZNLVCHNKJFODA-UHFFFAOYSA-N 277.288 0.961 0 50 CCAA COc1ccccc1OCC(=O)N1C[C@H](O)[C@@H](F)C1 1616110379 JVFNOJSRVVTIAB-UWVGGRQHSA-N 269.272 0.615 0 50 CCAA CO[C@H]1C[C@](NC(=O)[C@@H]2CCn3cncc3C2)(C(=O)O)C1 2325775324 WTVDGNYPYOKRGF-UDZFHETQSA-N 293.323 0.194 0 50 CCAA CC(=O)N1CCc2nc(N3CCN(C)CC3)ncc2C1 2325781396 MISXRMYTSLZMOO-UHFFFAOYSA-N 275.356 0.133 0 50 CCAA Cc1cc(C[C@H](C)NC(=O)C2=NNC(=O)CC2)[nH]n1 67713098 QBIBEILPNJRMAO-ZETCQYMHSA-N 263.301 0.031 0 50 CCAA CN1CCC[C@H](c2cc(=O)[nH]c(-c3cn(C)cn3)n2)C1 23367389 YTUIKMPBTOQRFU-JTQLQIEISA-N 273.340 0.980 0 50 CCAA CN(C)C1(CNC(=O)CCN2CCCC2=O)CCCC1 68106819 CUOSTFJOFXZQNN-UHFFFAOYSA-N 281.400 0.990 0 50 CCAA CC(=O)Oc1ccc(C(=O)n2oc(N)cc2=O)cc1 306147537 BGONMIXSWTZUQT-UHFFFAOYSA-N 262.221 0.637 0 50 CCAA Cc1cc(CN2CCC[C@H](S(N)(=O)=O)C2)ncn1 428304571 YGVAAKHKLRVXJU-NSHDSACASA-N 270.358 0.038 0 50 CCAA COCc1ncc2c(n1)CCN(CCC(=O)OC)C2 602927405 FPRJDPKQVZKVBH-UHFFFAOYSA-N 265.313 0.544 0 50 CCAA C[C@H](Cc1ccccc1F)NC(=O)[C@@H]1C[C@H](O)CN1 151606267 NBUUAXZZUJUDLS-CDMKHQONSA-N 266.316 0.596 0 50 CCAA Cc1ncc(C(=O)N2CCOC[C@H]2C(=O)O)c(C)n1 257683237 JZIDTQZSFVWQKD-JTQLQIEISA-N 265.269 0.019 0 50 CCAA Cn1nccc1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 283701653 SHCKBTJBMZFOOL-AAEUAGOBSA-N 293.367 0.718 0 50 CCAA CN1CCN(CCn2cnc3ccc(F)cc3c2=O)CC1 42460237 MMSLDXIACSWVEZ-UHFFFAOYSA-N 290.342 0.783 0 50 CCAA CCCCN1C(=O)C(O)=C(C(=O)OCC)[C@H]1C(=O)OCC 44122939 NHNIPGZUPMUNBA-JTQLQIEISA-N 299.323 0.936 0 50 CCAA C[C@@H](C(=O)N1CCO[C@@H](C(=O)O)C1)C1CCOCC1 263301275 UOQMXICOJOWONW-MWLCHTKSSA-N 271.313 0.361 0 50 CCAA CN(CC(=O)NCCCc1nc2ccccc2o1)C(N)=O 426389221 GQUDAYTXTFLDFA-UHFFFAOYSA-N 290.323 0.887 0 50 CCAA CCn1cnnc1CCNc1cc([C@@H]2CCOC2)ncn1 426690720 RJJVEBXBZKMTPG-LLVKDONJSA-N 288.355 1.247 0 50 CCAA CCn1cncc1CN=c1cc([C@@H]2CCOC2)nc(N)[nH]1 426503935 DLGIGNRZFWCMQC-SNVBAGLBSA-N 288.355 0.813 0 50 CCAA COCc1cccc(S(=O)(=O)N[C@H]2CCCNC2)c1 178893562 ZZGWHXWDRSBVBJ-LBPRGKRZSA-N 284.381 0.863 0 50 CCAA Cn1c(C(=O)NCCc2cccs2)cc(=O)n(C)c1=O 92098638 AAHSQAIYENUTEQ-UHFFFAOYSA-N 293.348 0.118 0 50 CCAA Cc1ncc(C(=O)NC[C@@H](C)Oc2cccnc2)c(=O)[nH]1 91745743 FYXTUYHZRNCXRU-SECBINFHSA-N 288.307 0.671 0 50 CCAA CNC(=O)C1(C(=O)N2CCC3(CCOCC3)[C@@H]2C)CC1 335712444 MSLSYHRTNCENKC-NSHDSACASA-N 280.368 0.930 0 50 CCAA CCN(C)c1cc(C[C@@H]2CC(=O)N(CCOC)C2)ncn1 244882465 XSHGEJBFQQTIMZ-GFCCVEGCSA-N 292.383 0.970 0 50 CCAA O[C@H]1C[C@@H]2[C@@H]3[C@H]1[C@@H]1[C@@H](O)C[C@@H]4[C@H]1[C@@H]3[C@@H]1[C@H]2[C@H](O)C[C@H]41 248070081 XQXSPPJNMCEGCY-NQDSCDNQSA-N 262.349 0.483 0 50 CCAA CCCc1cncnc1N1CCN2CCN(C)C(=O)[C@H]2C1 244602000 DVWQEZGZVPLPGN-CYBMUJFWSA-N 289.383 0.392 0 50 CCAA O=C(Cc1ncccc1F)N1CCO[C@H](CF)C1 622102063 MSODHDODDQFAPL-SECBINFHSA-N 256.252 0.960 0 50 CCAA Cn1nc2c(c1NC(=O)CCCn1cnnn1)CSC2 524732943 DQMDZCAJJLQLTA-UHFFFAOYSA-N 293.356 0.572 0 50 CCAA CC(C)(C)OC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 536947990 CPHMUEVLMNHCOP-UHFFFAOYSA-N 278.326 0.608 0 50 CCAA O=C(NCc1ccc(-c2ncon2)cc1)[C@@H]1C[C@@H](O)CN1 299785573 KNDMXSUYUJVQKW-NEPJUHHUSA-N 288.307 0.076 0 50 CCAA Nc1ncccc1CN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299791030 CRSNQZGSJAEIRE-STQMWFEESA-N 286.339 0.601 0 50 CCAA C[C@@H](NS(=O)(=O)CC(=O)c1ccccc1)C(=O)O 725376731 YFEKXOYMVCHOAK-MRVPVSSYSA-N 271.294 0.262 0 50 CCAA C[C@H]1CN([C@H](C)C(=O)NCC2CCN(C)CC2)C[C@@H](C)O1 823759316 DFLVMOWDHDLKQJ-HZSPNIEDSA-N 297.443 0.942 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1snnc1C 861812923 KTJKHJANAQUTOJ-UHFFFAOYSA-N 254.315 0.107 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)Cc1cc(F)ccc1F 269001430 YXMRXCPUROQKLK-NSHDSACASA-N 285.246 0.819 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CCn2cccn2)C[C@@H]1C1CC1 1549716785 FDFQNWATTDJJPJ-NEPJUHHUSA-N 277.324 0.842 0 50 CCAA O=C(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)C2CC2)nn1 1551457997 HJUHLDNUZCIYER-GXSJLCMTSA-N 278.312 0.986 0 50 CCAA CCc1ccc(CNC[C@]2(CO)COC[C@@H](C)N2C)cn1 1875398901 INYAZSGAFQXRAU-CJNGLKHVSA-N 293.411 0.815 0 50 CCAA CN(CC1CCC1)C(=O)[C@]1(O)CN2CCC1CC2 1875321795 VVXAKYUDKJKVKN-AWEZNQCLSA-N 252.358 0.702 0 50 CCAA C=CC(=O)N[C@@H]1CS(=O)(=O)N(C)c2ccccc21 1875368174 XAKRFJSBTQCGKA-SNVBAGLBSA-N 266.322 0.810 0 50 CCAA CO[C@H]1CCCCN(CC(=O)NCc2[nH]cnc2C)C1=O 886089145 ZUMMCBILUGRSIS-LBPRGKRZSA-N 294.355 0.362 0 50 CCAA CCC[C@@H](O)CNC(=O)c1cnn2c1NC[C@H](C)C2 1521255342 MYQKEMOBCUDCJR-VHSXEESVSA-N 266.345 0.836 0 50 CCAA CCN1CCOC[C@H]1CC(=O)N(C)C[C@H](O)C1CC1 1775998085 RMVVNPLLSLYQRQ-OLZOCXBDSA-N 270.373 0.327 0 50 CCAA Cc1cc2c(N3CC(NC(=O)[C@@H]4C[C@@H]4C)C3)nccn2n1 1363939655 GPPICJSPWKJARX-JOYOIKCWSA-N 285.351 0.999 0 50 CCAA Cc1nnc(NC(=O)C(C)(C)S(C)(=O)=O)s1 408101523 OFPQMHXLLFQPMB-UHFFFAOYSA-N 263.344 0.608 0 50 CCAA C[C@@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)CC1CC1 408438103 FNSATCCLICBDLM-LLVKDONJSA-N 290.429 0.503 0 50 CCAA C[C@@H](NC(=O)C1(O)CCC1)c1cccc(S(N)(=O)=O)c1 276706767 XHRNIMFCPGAOAW-SECBINFHSA-N 298.364 0.426 0 50 CCAA CCOCCC(=O)N1CCN(C)[C@@H](c2nccn2C)C1 276781447 UYBDOECDZYLPTL-GFCCVEGCSA-N 280.372 0.662 0 50 CCAA C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)CCN1CC(F)(F)F 170598220 GOHMJIBGZHGODS-RKDXNWHRSA-N 293.289 0.360 0 50 CCAA CCN(C(=O)c1cnc2[nH]cnc2c1)[C@@H]1CCNC1=O 669628043 CWCWPXJDNKTXHW-SNVBAGLBSA-N 273.296 0.309 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CCO1 676019699 VGHPFYPPJMDBLQ-JTQLQIEISA-N 279.296 0.214 0 50 CCAA CNC(=O)Cn1nc(Br)c(Br)n1 585086765 SEKDMWKTUOAITP-UHFFFAOYSA-N 297.938 0.549 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1ccc2c(c1)CCO2 200305704 GOHZBWOBHJYZIO-UHFFFAOYSA-N 264.130 0.875 0 50 CCAA C[C@H](CN(C)Cc1cc(O)nc(O)n1)N1CCOCC1 1529191691 BWPAYWHWRFBTGY-SNVBAGLBSA-N 282.344 0.040 0 50 CCAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cn[nH]c1 1704302641 AMGGXHXFDTZIKD-YPMHNXCESA-N 272.308 0.792 0 50 CCAA Cc1nc[nH]c1C(=O)N1C[C@@H](C(=O)O)C2(CCOCC2)C1 1800413112 BCEUNGWMOSASFH-JTQLQIEISA-N 293.323 0.672 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CCOC[C@@H]1CC(=O)O 128229320 DZIIFXSRXZFWLV-VIFPVBQESA-N 286.715 0.994 0 50 CCAA CO[C@@H]1CN(S(=O)(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@H]1O 1615204784 ADIOHVDGJTXBQV-AAVRWANBSA-N 297.376 0.564 0 50 CCAA C[C@@H]1CCCC[C@H]1CC(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1616037209 BXSQISYAIXHVMR-FRRDWIJNSA-N 294.395 0.912 0 50 CCAA CC(=O)N1CC[C@@](C)(C(=O)NCC2(CO)CCC2)C1 376867016 PPWZVHQZWSEIFX-CYBMUJFWSA-N 268.357 0.524 0 50 CCAA NCCc1nnc(NCCCCN2CCCC2)o1 1772710506 XBKPNBHMQBHDNO-UHFFFAOYSA-N 253.350 0.859 0 50 CCAA CCn1ccnc1CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 19731620 CTPMALMUNBLMHS-SNVBAGLBSA-N 276.340 0.530 0 50 CCAA Cc1nn(C)cc1C(=O)N[C@H]1CCCOC12CCNCC2 1857693184 MAWIHNVRUIJVGT-ZDUSSCGKSA-N 292.383 0.760 0 50 CCAA C[C@@H]1CN(c2cc(=O)n3ccccc3n2)C[C@H]1C(N)=O 408473961 VUMNAFIKGZIUBA-NXEZZACHSA-N 272.308 0.252 0 50 CCAA Cn1ccc2c(C(=O)N3CC[C@H](CO)[C@@H](O)C3)cccc21 546694816 UFPMDLWBJKXDKM-ABAIWWIYSA-N 288.347 0.994 0 50 CCAA CCn1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)O)cn1 655598928 OEEJQBGXVPAVMY-GFCCVEGCSA-N 288.307 0.724 0 50 CCAA CN1CCN(C[C@@H](O)COCc2ccccc2)CC1 19338587 GFQWQJFWBPPOSA-OAHLLOKOSA-N 264.369 0.812 0 50 CCAA Cc1nonc1CN1CCC[C@](O)(CC(=O)N(C)C)C1 818250095 NWFPSTQZYGFWIL-ZDUSSCGKSA-N 282.344 0.183 0 50 CCAA CN(C)c1ccnc(CNC(=O)Nc2cn(C)nn2)c1 931509739 SWHKKPUAWQYCMJ-UHFFFAOYSA-N 275.316 0.598 0 50 CCAA O=C(NS(=O)(=O)Cc1ccon1)[C@@H]1C[C@@H]2C[C@@H]2C1 850872336 NMTUMNVEXOLLMM-BRPSZJMVSA-N 270.310 0.667 0 50 CCAA CSCC[C@H](O)C(=O)N(C)CCn1ccnc1 219387345 XQJBKFJLCDTSCE-JTQLQIEISA-N 257.359 0.456 0 50 CCAA CC(C)(C)SCC(=O)N1CC[C@@H]2OCC(=O)N[C@@H]2C1 225482407 LQFOURJVTFDLGJ-ZJUUUORDSA-N 286.397 0.634 0 50 CCAA NS(=O)(=O)[C@@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1 408007895 LUITXONPFPMMHR-SECBINFHSA-N 296.339 0.701 0 50 CCAA CC[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]([C@@H](C)O)C2)O1 408470882 ROBLXYKGSZOLHK-DDHJBXDOSA-N 257.330 0.552 0 50 CCAA O=C(NC[C@@H]1CNCCO1)c1cncc(C(F)(F)F)c1 423992219 NYIUBRLNVQDLIT-JTQLQIEISA-N 289.257 0.819 0 50 CCAA COC[C@](C)(CCO)NC(=O)c1n[nH]c(C)c1C 330757070 ZKXBMWABOXWYOE-LBPRGKRZSA-N 255.318 0.544 0 50 CCAA Cc1ccccc1OCC(=O)N[C@H]1CCOC[C@@H]1O 629218529 PCPUBQBZKQTSFM-RYUDHWBXSA-N 265.309 0.640 0 50 CCAA CN1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)NCC1=O 911934522 DQEAJAMQTYWKFJ-JTQLQIEISA-N 285.706 0.848 0 50 CCAA COC[C@@]12COC[C@@H]1CN(c1ncncc1C(=O)OC)C2 2356155932 OFGMGACBQOKYBE-HZMBPMFUSA-N 293.323 0.362 0 50 CCAA COCCNC(=O)c1nn2cccnc2c1Cl 4810880 QVNARIRNKKTOHO-UHFFFAOYSA-N 254.677 0.759 0 50 CCAA O=C1c2nc(O)[nH]c(=O)c2CN1Cc1ccccc1 4896196 ILMDMEXCJKULNN-UHFFFAOYSA-N 257.249 0.632 0 50 CCAA Cc1cnc(C(=O)NCCCc2cnn(C)c2)cn1 102623480 UPJHHLAVDXMXIS-UHFFFAOYSA-N 259.313 0.881 0 50 CCAA CS(=O)(=O)CCC(=O)NCc1ccc(F)cc1 62076325 ADZOIFBYPWXORR-UHFFFAOYSA-N 259.302 0.877 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1c(O)cccc1O 67956128 NBRXRQQUNHBBLN-KWQFWETISA-N 267.281 0.632 0 50 CCAA O=C(CCn1nnc(-c2ccccc2)n1)N1CCCO1 20783554 AWCBGOJAATZWTL-UHFFFAOYSA-N 273.296 0.894 0 50 CCAA COC[C@H]1CN(Cc2noc(C3CC3)n2)CCO1 172886669 AJARETKPQPEFDB-SNVBAGLBSA-N 253.302 0.794 0 50 CCAA CCn1cc(NC(=O)C2(S(C)(=O)=O)CCC2)ccc1=O 332438786 JHSZIQAFNYEJHF-UHFFFAOYSA-N 298.364 0.774 0 50 CCAA CN1CCN(C(=S)C(=O)NCc2ccco2)CC1 20481731 CMXXCCLSIFOQRF-UHFFFAOYSA-N 267.354 0.471 0 50 CCAA CCN1CCN(CCOc2cccc(OC)c2)C(=O)C1=O 33359714 CUENMSISAGRSIS-UHFFFAOYSA-N 292.335 0.765 0 50 CCAA O=C(NCCc1cnc[nH]1)c1ccc(-n2cnnc2)cc1 215311194 AKRAPPAGKRKHLS-UHFFFAOYSA-N 282.307 0.963 0 50 CCAA CC[C@H](NC(=O)c1cc(=O)[nH]c(=O)[nH]1)c1cccc(C)n1 215460267 XPYAUFPYZOCIJE-VIFPVBQESA-N 288.307 0.648 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCN[C@@H](C)C1 237600784 PSCDJNUWYHOKBP-VIFPVBQESA-N 266.345 0.236 0 50 CCAA CCc1cc(C(=O)N2CC[C@](O)(CC)[C@H](O)C2)ccn1 72479433 OAAGLCGEUMURLI-UKRRQHHQSA-N 278.352 0.992 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)CCc1nc2cccnc2[nH]1 238064909 SBWCCPUSRLHVRH-JTQLQIEISA-N 288.307 0.966 0 50 CCAA O[C@@]1(CN2CCCN(Cc3ccncc3)CC2)CCNC1 77427937 WGFJGYBKAGJRDU-INIZCTEOSA-N 290.411 0.314 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(CCn2cccn2)C1 284463615 ADLNMIYICPYDAK-KBPBESRZSA-N 292.383 0.595 0 50 CCAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1c[nH]c(=O)cn1 216170469 FKQREGWBQWZJDP-SNVBAGLBSA-N 293.323 0.228 0 50 CCAA Cn1nnc(Cn2ccc(C(F)(F)F)cc2=O)n1 289810562 ZGWJVGBLZDDADR-UHFFFAOYSA-N 259.191 0.439 0 50 CCAA CC(C)C[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C(=O)O 178259524 ULVYXTDJZHWZLA-QWRGUYRKSA-N 284.356 0.718 0 50 CCAA N[C@H]1CCN(C(=O)c2cc(F)cc3nccnc23)C1 132392243 RWPUPINGVLIBTF-VIFPVBQESA-N 260.272 0.942 0 50 CCAA C[C@H]1CNCCN1C(=O)Cn1nnc2ccccc21 179118399 QHADGANOOKUKGX-JTQLQIEISA-N 259.313 0.252 0 50 CCAA NC(=O)[C@H]1COCCN1C(=O)/C=C/C1CCCCC1 180268201 LRCHWQDOKZEMNY-NNNHXZLVSA-N 266.341 0.836 0 50 CCAA O=C([C@@H]1CCCCN1)N1CCC[C@@H](Cn2cncn2)C1 237936181 RLFVGPJECIYLFE-OLZOCXBDSA-N 277.372 0.659 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H]1CO 97547747 NOAYIXFFJDFHCN-SNVBAGLBSA-N 264.329 0.448 0 50 CCAA COCc1ccc(C(=O)N2CCNC[C@H](C(=O)O)C2)cc1 97604218 NYGDRZPEWSTCSI-ZDUSSCGKSA-N 292.335 0.579 0 50 CCAA CC(=O)N[C@H](C)CC(=O)NCc1cccc(CO)c1 534656845 HBRPYMXLZJQFMT-SNVBAGLBSA-N 264.325 0.710 0 50 CCAA COC(=O)N1CCCC[C@H]1C(=O)NCCn1ccnn1 534673684 FWNRSUXWDBRGOS-JTQLQIEISA-N 281.316 0.015 0 50 CCAA COC(=O)N1CCCC[C@@H]1C(=O)NCCc1cc[nH]n1 534587232 SQMBGQVFIVDZMX-LLVKDONJSA-N 280.328 0.689 0 50 CCAA CC(C)N1C[C@@H](C(=O)NCCc2cc[nH]n2)CCC1=O 299784293 WSBNYXHQNIQBNS-NSHDSACASA-N 278.356 0.715 0 50 CCAA Cc1csc(CCCNC(=O)C[C@@H]2CNCCO2)n1 299773974 HCFKSYHKFFVUMH-LLVKDONJSA-N 283.397 0.879 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccnc1NC 584884435 APNZBUMKMMKRDT-RYUDHWBXSA-N 278.356 0.572 0 50 CCAA CCCc1cnc(NCCc2nnc(O)n2C)nc1 823012035 HEPCNKSNCAZNQV-UHFFFAOYSA-N 262.317 0.918 0 50 CCAA CN(C)C(=O)NCC(=O)N1CCC(Cn2ccnc2)CC1 584903514 MAGBOKZNPMQOMU-UHFFFAOYSA-N 293.371 0.393 0 50 CCAA CC[C@](O)(CCCO)CNC(=O)c1cccc(N)n1 584892163 CGUDVNAYCGGSFQ-ZDUSSCGKSA-N 267.329 0.307 0 50 CCAA CC12CN3CC(C)(CN(C1)C3(C)CCC(=O)O)C2=O 19322891 UJWFYGNCEKEHLS-UHFFFAOYSA-N 266.341 0.794 0 50 CCAA biogenic O=C([C@@H]1CN2CCCN1CC2)N1CCCc2n[nH]cc2C1 952891220 CFDLDQZRTBWKSX-AWEZNQCLSA-N 289.383 0.074 0 50 CCAA CCc1ocnc1C(=O)NCc1c[nH]nc1[C@@H]1CCNC1 952849573 FAIKMVLCCXTPGR-SECBINFHSA-N 289.339 0.967 0 50 CCAA CC[C@@H](C)CC(=O)C(=O)NC(C)(C)C(=O)N(C)C 2325813765 VIUOFZXENTZBEU-SECBINFHSA-N 256.346 0.975 0 50 CCAA Cc1nc2ccccc2c(=O)n1CC(=O)Nc1cnnn1C 1456327419 ASXROYJJTSQVTF-UHFFFAOYSA-N 298.306 0.472 0 50 CCAA C[C@]1(C(=O)N[C@H]2CC(=O)NC2=O)CCc2ccccc2C1 1875396599 ODLNBRZJADXZIX-LRDDRELGSA-N 286.331 0.713 0 50 CCAA C=CC(=O)N1CCC(C(=O)N[C@@H]2C[C@H]2OCC)CC1 1875367003 HSUJMIJPOYOSMB-VXGBXAGGSA-N 266.341 0.705 0 50 CCAA O=C(Cc1nc[nH]n1)N1CC[C@]2(c3cccnc3)C[C@@H]2C1 1875329079 CYVXYASAHZWBQZ-IUODEOHRSA-N 283.335 0.932 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCC(C[C@@H](C)O)CC2)C1 1875387267 YQKWJFAYTFNJMR-LLVKDONJSA-N 280.368 0.640 0 50 CCAA C[C@H](N)/C=C/C(=O)NC[C@]12OCCC[C@H]1C2(F)F 1875338150 OMMIOQYNOWHWCA-ORARJGFHSA-N 260.284 0.820 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 1351373432 FVKZVODXFSTGGO-LLVKDONJSA-N 276.340 0.760 0 50 CCAA C[C@H]1CN(C(=O)c2cnn3ncccc23)[C@H](C)CN1C 408398688 BYQMGMJBFGDRPM-WDEREUQCSA-N 273.340 0.894 0 50 CCAA CCOC1CC(O)(CNC(=O)c2cccnc2O)C1 277701478 LZPGRGURNKDDNX-UHFFFAOYSA-N 266.297 0.447 0 50 CCAA C[C@H](C(=O)c1c[nH]c2ncccc12)N1C[C@H](O)[C@H](O)C1 278693767 JIWLSUHATXYAER-FXAINCCUSA-N 275.308 0.172 0 50 CCAA CC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2O)CC1 170597890 FLDFEBJNVCRBSC-RYUDHWBXSA-N 268.357 0.665 0 50 CCAA COCCn1ccc(NC(=O)[C@H]2C[C@H](F)CN2)n1 188501301 OAZIEHGNYCZYIF-DTWKUNHWSA-N 256.281 0.168 0 50 CCAA Cn1ccnc1[C@@H]1OCC[C@H]1CNCC(C)(C)OCCO 668175163 NDZPKHMRNGWRHT-QWHCGFSZSA-N 297.399 0.875 0 50 CCAA CCOCCC(=O)N1CCC[C@@]1(COC)C(=O)O 643849380 ZSGBYTHJXMWMSW-GFCCVEGCSA-N 259.302 0.505 0 50 CCAA c1cc(N2CCOCC2)nc(N2CC[C@@]3(CCOC3)C2)n1 676312642 ATLSSQUZZIJUOH-OAHLLOKOSA-N 290.367 0.930 0 50 CCAA C[C@H]1C(=O)N(C)CCN1C(=O)CCCN1CCCC1=O 1506412754 OBBWWXMPFAXBKN-NSHDSACASA-N 281.356 0.078 0 50 CCAA Cc1nc(N)nc(NC[C@](C)(O)CCCO)c1Cl 1506427961 VONWGDLYGJSEQA-LLVKDONJSA-N 274.752 0.956 0 50 CCAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)NCc3cncc(O)c3)C[C@H]21 1615549026 UXICUOKEXFCSBM-XKAARJIMSA-N 261.325 0.777 0 50 CCAA Cn1cncc1CN1CCC[C@H](CS(C)(=O)=O)C1 215127049 HGAMUXDDAKJTPH-NSHDSACASA-N 271.386 0.677 0 50 CCAA O=C(COc1ccc2nncn2n1)NC[C@H]1CCCCO1 19148394 PMBLCRAYPGKVBF-SNVBAGLBSA-N 291.311 0.188 0 50 CCAA N=c1ccnc(N2CCN3[C@@H](C4CC4)COC[C@H]3C2)[nH]1 1857727076 KQINDZHPIKPCAY-VXGBXAGGSA-N 275.356 0.189 0 50 CCAA O[C@]1(Cn2ccnc2-c2cccc3ccnn23)CCNC1 1875243209 WKRSEHQRPVEMFM-OAHLLOKOSA-N 283.335 0.922 0 50 CCAA CCOc1ccc(CNC[C@H]2CC(C(N)=O)=NO2)cc1 225601419 WWODYCYJLJUYTO-GFCCVEGCSA-N 277.324 0.805 0 50 CCAA O=C(C[C@H]1CCCCO1)Nc1ccn([C@H]2CCNC2)n1 328614293 AFUONWMGPDZCLJ-NWDGAFQWSA-N 278.356 1.315 0 50 CCAA C[C@H]1CCN(C(=O)CCS(C)(=O)=O)C[C@H]1n1ccnc1 330981395 VQBBAYXPMPMVLU-NWDGAFQWSA-N 299.396 0.727 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(Cc2ncc(C3CC3)o2)C1 643807458 WCXFYKJJWNPNQH-AWEZNQCLSA-N 279.340 0.754 0 50 CCAA COc1ccc(NS(=O)(=O)N(C)C)c(OC)c1 380453 ZNBWCVYCEKOOTR-UHFFFAOYSA-N 260.315 0.922 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)O)cc1 110693397 BDDHVOAIRVYQPW-LLVKDONJSA-N 276.292 0.735 0 50 CCAA CS(=O)(=O)CCC(=O)NCCc1nc2ccccc2[nH]1 36889205 FVLSBMJGOLHEEO-UHFFFAOYSA-N 295.364 0.656 0 50 CCAA NC(=O)C1(O)CCN(C(=O)CCC2CCCC2)CC1 311678233 ZSZVWKMUZKOMRP-UHFFFAOYSA-N 268.357 0.796 0 50 CCAA COc1cc(CN2CCC(O)(CN(C)C)CC2)on1 710570685 NBMZHOGHGKMNKO-UHFFFAOYSA-N 269.345 0.572 0 50 CCAA CC[C@@](NC(=O)c1nc[nH]c2nccc1-2)(C(N)=O)C1CC1 2325757278 JBADPQPFEXMLAM-AWEZNQCLSA-N 287.323 0.683 0 50 CCAA CN1CCN(C(=O)c2cc(O)nc(C3CC3)n2)CCC1=O 2325757586 RHYITYPQOTVYPC-UHFFFAOYSA-N 290.323 0.364 0 50 CCAA C[C@@H]1CN(C(=O)c2cccc(=O)n2C)Cc2cncnc21 1455133131 AFLAHYADEYLAIV-SNVBAGLBSA-N 284.319 0.935 0 50 CCAA Cc1nn(C)cc1NC(=O)CN1CCN(C2CC2)C[C@@H]1C 2356141250 ZREKPONHIJWLNJ-NSHDSACASA-N 291.399 0.836 0 50 CCAA Cc1nc(N2C[C@H](O)C[C@@H](O)C2)nc2c1CCCC2 2356153851 XPVFZHLKSOMHNC-GHMZBOCLSA-N 263.341 0.596 0 50 CCAA CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1O 4262427 VVSWDMJYIDBTMV-HUXGKSLCSA-N 282.292 0.194 0 50 CCAA NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 4838756 MLEHRSGIQXWHSS-UHFFFAOYSA-N 269.326 0.962 0 50 CCAA Cc1nccc(N2CCC[C@H](c3n[nH]c(=O)o3)C2)n1 225812438 NFIPZKFAWLBXMY-VIFPVBQESA-N 261.285 0.845 0 50 CCAA O=C1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CN1 134074950 MIMAPRDZHGTXQQ-NWDGAFQWSA-N 290.319 0.325 0 50 CCAA N[C@]1(C(=O)O)CCN(Cc2cccn2-c2ccncc2)C1 67772520 LWEAZNXHUOSDQD-OAHLLOKOSA-N 286.335 0.860 0 50 CCAA CCCN(C)C(=O)c1cc(CN2CCOCC2)on1 67983238 IWJYIFMXPUBDCR-UHFFFAOYSA-N 267.329 0.989 0 50 CCAA CCN(CC)c1nc(N)cc(N2CCCNCC2)n1 65531037 NOZCJEHKPPQWSP-UHFFFAOYSA-N 264.377 0.705 0 50 CCAA O=C(O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O 36594879 ZHVHYSXUNVLQON-SNVBAGLBSA-N 262.265 0.972 0 50 CCAA O=S(=O)(N[C@H]1CCCC(F)(F)C1)C1COC1 330222995 SCXZTRJMQRWZMP-ZETCQYMHSA-N 255.286 0.883 0 50 CCAA Cc1nc([C@H]2CCCN2Cc2cn[nH]c2C(=O)O)n[nH]1 215182402 HDVVIOVYSMGUPO-SECBINFHSA-N 276.300 0.872 0 50 CCAA CC(=O)N[C@@H](C(=O)N1CCn2cncc2C1)C(C)C 72153025 HPRQBPWECBPZTJ-GFCCVEGCSA-N 264.329 0.386 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)CCN1C(=O)c1cccs1 210367108 ZASMKOBPIXNNLL-SFYZADRCSA-N 255.295 0.798 0 50 CCAA C[C@H]1CN(C(=O)c2cc(F)c[nH]2)CCS(=O)(=O)C1 331566179 DBDUOBXVWHEFLT-QMMMGPOBSA-N 274.317 0.661 0 50 CCAA CCCc1nc(N2CCC(O)(C(=O)O)CC2)no1 71575818 MZVUHZQMQRRYHL-UHFFFAOYSA-N 255.274 0.438 0 50 CCAA COC(=O)C1=C(O)c2cc(F)ccc2S(=O)(=O)N1 34418602 YVNPWQYQIOZLOP-UHFFFAOYSA-N 273.241 0.517 0 50 CCAA COC[C@@H](N)C(=O)Nc1ccc(C(N)=O)c(C)c1 262588884 VWZXPUPGQUVTPE-SNVBAGLBSA-N 251.286 0.006 0 50 CCAA COc1ccc(F)c(CN2C[C@@H](N)C[C@H]2C(=O)O)c1 77299766 WDZBUFZHFAMJLS-CABZTGNLSA-N 268.288 0.821 0 50 CCAA CCS(=O)(=O)NCCCN1CC[C@H](C)C[C@H]1[C@@H](C)O 241897190 TWKLKBIKAQKUEI-XQQFMLRXSA-N 292.445 0.797 0 50 CCAA C[C@H](NC(=O)CN1C[C@H](F)C[C@H]1C(N)=O)c1cccs1 285423893 IHSGVHAZRJIZBS-AEJSXWLSSA-N 299.371 0.823 0 50 CCAA Cc1cccc(OC2CN(C(=O)NCC(=O)O)C2)c1 426529288 MATBHSMATFWEIU-UHFFFAOYSA-N 264.281 0.852 0 50 CCAA Cc1noc(C(F)F)c1C(=O)N1CCOCCN1 615494182 GZJHUUFJNBLLKN-UHFFFAOYSA-N 261.228 0.898 0 50 CCAA C[C@H](C(=O)NCCc1cc[nH]n1)N1CCCCC1 426674010 HXDWDGKVGOGIQG-LLVKDONJSA-N 250.346 0.943 0 50 CCAA COCCN1C[C@@H](Cc2cncc(N(C)C)n2)CC1=O 223860484 HGNCQHHRNDXNFI-NSHDSACASA-N 278.356 0.580 0 50 CCAA CC[C@H](COC)NC(=O)c1nnc2nc(C)ccn12 426711952 BBAGXHKIPXDTSJ-SECBINFHSA-N 263.301 0.588 0 50 CCAA CC(C)n1cnnc1CN(C)C(=O)[C@H](C)N(C)C 426509998 GERGFQWRIBOBLE-JTQLQIEISA-N 253.350 0.768 0 50 CCAA CNCc1nnc(SCC(=O)NC(C)(C)C)n1C 426359999 UTAJKUBYIVZSMQ-UHFFFAOYSA-N 271.390 0.541 0 50 CCAA CS(=O)(=O)c1ccc(CS(=O)(=O)O)cc1 145170179 OUMJWQIIOJPVPR-UHFFFAOYSA-N 250.297 0.478 0 50 CCAA Cc1ccc(CNC(=O)C[C@H]2CN(C)CCN2C)o1 244795828 ROIMXHJBJBGSLP-LBPRGKRZSA-N 265.357 0.840 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@H](C2(C)OCCO2)C1 860780194 HVIGMVPKYVWVRV-LBPRGKRZSA-N 296.367 0.632 0 50 CCAA COCCN(C)CC(=O)N[C@H](C)c1ncc(C)[nH]1 534642964 IZNUOIVCNHSSOV-SNVBAGLBSA-N 254.334 0.474 0 50 CCAA COc1coc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)cc1=O 534660320 OTPCUUNVRWJQCL-RKDXNWHRSA-N 292.291 0.198 0 50 CCAA Cc1nc(CCNC(=O)[C@H]2C=CCN2)nc2c1CCC2 534590016 XMHGMMFPGJIQTC-CYBMUJFWSA-N 272.352 0.460 0 50 CCAA CN(Cc1ncon1)c1cncc(C(=O)N2CCCC2)n1 823737638 ZLYYDNKPXLNHHL-UHFFFAOYSA-N 288.311 0.732 0 50 CCAA CCOCCC(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1 584902617 WOPHKBIXGCAXRX-RYUDHWBXSA-N 256.346 0.081 0 50 CCAA COC[C@H]1CN(C(=O)NCC2(N(C)C)CC2)C[C@@H](C)O1 864094330 QUVRQKVNWKVHAR-VXGBXAGGSA-N 285.388 0.526 0 50 CCAA CNC(=O)[C@]12CCOC[C@H]1CN(c1ncccc1OC)C2 952849816 GZNJEMXKPPGVTR-ABAIWWIYSA-N 291.351 0.679 0 50 CCAA Cc1nonc1COc1ccc(-n2c(O)nnc2O)cc1 1875268839 HQSPXVFPMJISCU-UHFFFAOYSA-N 289.251 0.949 0 50 CCAA CCOC(=O)[C@H](NC(=O)[C@H]1NCC1(C)C)C1CC1 1329118295 NAFUNYFSKBWHOK-NXEZZACHSA-N 254.330 0.442 0 50 CCAA Cc1cc(C(=O)N2CCC([C@H](O)C(=O)O)CC2)c[nH]1 1875306842 DJSUKTNBSFCINQ-NSHDSACASA-N 266.297 0.621 0 50 CCAA Cc1nn(C)c(C)c1NC(=O)c1nn(C)c2c1CNCC2 1875357608 NOSQSFCXULYLOR-UHFFFAOYSA-N 288.355 0.668 0 50 CCAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)c1cnc[nH]1 952861706 INVZCFWXSOVJEU-UHFFFAOYSA-N 271.240 0.967 0 50 CCAA Cn1cnc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)c1 630129795 IWAPZGPBHMXFMH-SNVBAGLBSA-N 281.312 0.516 0 50 CCAA Cn1cnc2ccc(C(=O)N[C@@H](CO)[C@H]3CCOC3)nc21 1417698991 BXVKABWGSVOEIG-CABZTGNLSA-N 290.323 0.096 0 50 CCAA CC[C@H]1[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H]2CCO[C@@H]12 1565511112 NGCLKNPRQPXEOO-WAYYCVMKSA-N 292.335 0.927 0 50 CCAA C[C@H]1CN(c2nc(C(N)=O)cs2)C[C@]1(O)C1CC1 1565528406 VKHIVFQEWQHWFU-JVXZTZIISA-N 267.354 0.839 0 50 CCAA OCc1ccc(CN2CC[C@@](O)(Cn3ccnn3)C2)cc1 671553430 RPLVUVYIFZESQS-HNNXBMFYSA-N 288.351 0.407 0 50 CCAA CO[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)[C@@](C)(CO)C1 634065862 CNKJKUUCPXWEHK-PKFCDNJMSA-N 294.355 0.223 0 50 CCAA Cn1ccc(C(=O)N2c3ccccc3C[C@@H]2CO)n1 585126585 CHQAHSOJHZHALR-LLVKDONJSA-N 257.293 0.984 0 50 CCAA CN1CCN(c2cnc3ccccc3n2)C[C@H]1CO 585134706 HCDRJMHGESTCAQ-NSHDSACASA-N 258.325 0.743 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1ccn(C)c1 643765513 VIAQILPGRYAEGP-CQSZACIVSA-N 265.357 0.752 0 50 CCAA Cn1cc(C(=O)NC(C)(C)[C@H](O)C(F)(F)F)nn1 1347268352 NNDNATZZZFRUQD-ZETCQYMHSA-N 266.223 0.247 0 50 CCAA Cc1cc(C[C@@H]2CN(CCc3nccn3C)C[C@H]2O)n[nH]1 1704298942 LLVUCCLNFVRZLZ-TZMCWYRMSA-N 289.383 0.530 0 50 CCAA Cc1nc(N(C)C)nc(N2CCO[C@@H](C(=O)O)C2)c1C 1704309297 QFWZMKZLTUWNQW-SNVBAGLBSA-N 280.328 0.449 0 50 CCAA O=C(Cc1cccc(Cl)c1)N[C@H]1CCNC[C@@H]1O 213156440 FBJQBUNHFRLRAX-RYUDHWBXSA-N 268.744 0.722 0 50 CCAA COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C 135918315 HTQMBOWAEPNWLI-IUCAKERBSA-N 286.328 0.579 0 50 CCAA CC[C@]1(C)C[C@H]1C(=O)N(CCN(C)C)CC(=O)O 153278527 KMZLDCHBFQYAPG-GXFFZTMASA-N 256.346 0.897 0 50 CCAA CC(C)(C(=O)NOCC(=O)O)c1ccc2c(c1)OCCO2 1615587082 BBXWXOGZFGGGNE-UHFFFAOYSA-N 295.291 0.868 0 50 CCAA COc1nc(N2CCC(NC(C)=O)CC2)ncc1F 1772702863 UVWWCVHALYWIAM-UHFFFAOYSA-N 268.292 0.729 0 50 CCAA O=c1nc(Nc2nc(=O)c3ccccc3s2)[nH]c(=O)[nH]1 18085464 JMXZIUONZXZRGL-UHFFFAOYSA-N 289.276 0.172 0 50 CCAA COc1ccc(CN2CCN(C)[C@@H](CCO)C2)cc1O 19637305 XHPQTUPUOZMRAB-ZDUSSCGKSA-N 280.368 0.899 0 50 CCAA CN1CCc2cc(-c3nc(N)c4cnn(C)c4n3)cnc21 1875243816 YPVDVPPZCIYVDN-UHFFFAOYSA-N 281.323 1.000 0 50 CCAA NC(=O)c1ccc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)cn1 332356736 UGHKPNQJZJLODE-NSHDSACASA-N 299.334 0.923 0 50 CCAA O=C(N1CCO[C@@H](c2cccc(Cl)c2)C1)C1(O)CNC1 662794571 OPAHGGNIJUTVGR-GFCCVEGCSA-N 296.754 0.574 0 50 CCAA CCn1ncc(CN2CCC[C@@]2(COC)C(=O)NC)n1 818191568 BPJGJTBVDGRPAK-CYBMUJFWSA-N 281.360 0.025 0 50 CCAA COCCNS(=O)(=O)c1ccc(OC)c(F)c1 6743220 ODSOTNJWQWTFHI-UHFFFAOYSA-N 263.290 0.759 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(c1ccncc1F)C2 1704316452 PUQSXZJYELWLKQ-MNOVXSKESA-N 251.305 0.988 0 50 CCAA O=C([C@H]1CCCCN1Cc1cnon1)N1CCOCC1 851749046 TTXMRHBKTGQGGZ-GFCCVEGCSA-N 280.328 0.283 0 50 CCAA CCN(C(=O)N1CCOCC1)[C@@H](C)CS(C)(=O)=O 112713309 DGEBJHHPMGSMBD-JTQLQIEISA-N 278.374 0.194 0 50 CCAA C[C@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)CCN1 237582565 IEGNOHLKVFJRAU-NSHDSACASA-N 271.324 0.701 0 50 CCAA COc1ccnc(NCCC(=O)N2CCOCC2)n1 158088990 DKKVGNKCLNGIBS-UHFFFAOYSA-N 266.301 0.146 0 50 CCAA C[C@H]1COC[C@@H](C)N1C(=O)CNC[C@H]1CCCO1 299739555 PZPYXGJCOLKBLC-GRYCIOLGSA-N 256.346 0.391 0 50 CCAA CCNc1ccnc(NC[C@H]2CCS(=O)(=O)C2)n1 65469045 YGLKUFCDGWLWPX-SECBINFHSA-N 270.358 0.755 0 50 CCAA CC1(C)CC[C@@H](C(=O)N[C@H]2CCC(=O)NC2=O)C1 336559927 SSGQLHHTGLFOQP-BDAKNGLRSA-N 252.314 0.734 0 50 CCAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCOCC1 903549610 HGRIDQXGHWUNLY-CHWSQXEVSA-N 261.325 0.653 0 50 CCAA Cc1cnc(C(=O)N2CC(S(C)(=O)=O)C2)c(C)c1 822083347 FOMWSONBDJLRKN-UHFFFAOYSA-N 268.338 0.567 0 50 CCAA CC(C)OCCCNC(=O)C(=O)NCc1cccnc1 2999594 MLSLNBXZDFATHL-UHFFFAOYSA-N 279.340 0.629 0 50 CCAA CN1CCCCC[C@H]1C(=O)NCCc1nncn1C 65403275 GCYZQSBZHWZVSJ-NSHDSACASA-N 265.361 0.348 0 50 CCAA CN(C)c1nccnc1N1CCN(C)[C@H](CCO)C1 1506409787 SXRKNESASHUHNC-LLVKDONJSA-N 265.361 0.045 0 50 CCAA COCCn1cc(NC(=O)N2CC(C)(O)C2)cn1 331750266 FOXYRWQOJSUVJM-UHFFFAOYSA-N 254.290 0.128 0 50 CCAA COc1ccc(C)cc1NC(=O)CN[C@H](C)CO 65406642 BIRKJZMJPPTJHC-SNVBAGLBSA-N 252.314 0.913 0 50 CCAA CC(C)c1noc(CCC(=O)O[C@H]2CNOC2)n1 328592070 UVRGCHJWLZRIKH-QMMMGPOBSA-N 255.274 0.572 0 50 CCAA Cc1nc(C2(NC(=O)[C@@H]3CNCCO3)CCCC2)no1 150877250 PUXBMGPFFUODGQ-JTQLQIEISA-N 280.328 0.252 0 50 CCAA CN(C)c1ccc(CN2CC(N3CCOCC3)C2)cn1 215662399 PPHFLNBSJBNSFP-UHFFFAOYSA-N 276.384 0.664 0 50 CCAA CN1C[C@@H](C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1=O 132591426 AWIPGRDIZUECFQ-JQWIXIFHSA-N 292.339 0.479 0 50 CCAA Cc1cc(CN2CCN(C(=O)[C@@H]3CCC[C@@H]3N)CC2)no1 237728279 CIHALRBHBGVISC-KGLIPLIRSA-N 292.383 0.755 0 50 CCAA C[C@@]1(F)CNCCN(S(=O)(=O)c2ccco2)C1 335168586 FXMFRZJDFHMNMS-SNVBAGLBSA-N 262.306 0.602 0 50 CCAA O=C(C(=O)N1CC[C@]2(CCOC2)C1)N1CC[C@@H](C2CC2)C1 336282176 CLUKIIGKKJCNHK-CJNGLKHVSA-N 292.379 0.884 0 50 CCAA O=C1C[C@@]2(CCN(C(=O)C3(O)CCCC3)C2)CN1 336426886 ICAMXZGMRPGOAZ-LBPRGKRZSA-N 252.314 0.030 0 50 CCAA CC(=O)N1CCN(S(=O)(=O)c2ccsc2)CC1 285127901 NCYUCDQYJYVDKQ-UHFFFAOYSA-N 274.367 0.601 0 50 CCAA CC(C)S(=O)(=O)NC1=NCN(Cc2cccnc2)CN1 40387347 VAHWQNWGELIMOV-UHFFFAOYSA-N 297.384 0.086 0 50 CCAA O=C1CN(C(=O)Cc2c[nH]c3ncccc23)CCN1 176327508 ZHBBYCMGGBBOON-UHFFFAOYSA-N 258.281 0.064 0 50 CCAA COCCn1cncc1CNC(=O)CN1CCCC1 220328828 GAAUWNJXWKLILB-UHFFFAOYSA-N 266.345 0.242 0 50 CCAA O=c1nc(C2CCN(Cc3cn4cccnc4n3)CC2)[nH][nH]1 289588208 ZMGKLLUGGQQSLT-UHFFFAOYSA-N 299.338 0.520 0 50 CCAA O=C1N[C@H](C(=O)NCCn2cccn2)Cc2ccccc21 426386281 JMVOGXJVAKUQSH-ZDUSSCGKSA-N 284.319 0.354 0 50 CCAA Cc1noc([C@H](C)NC(=O)c2ccc(C)n(C)c2=O)n1 426615563 PUVDMOWYTFKZNQ-QMMMGPOBSA-N 276.296 0.876 0 50 CCAA CCO[C@@H]1COC[C@H]1NC(=O)c1nc[nH]c2nccc1-2 616101836 JMQKYAGZWNPIAE-NXEZZACHSA-N 276.296 0.443 0 50 CCAA CC[C@@]1(CO)CCCN(CC(=O)Nc2ccn(C)n2)C1 91707337 YHQLWOYINDXUDK-CQSZACIVSA-N 280.372 0.843 0 50 CCAA CCc1nc(CN2CCN(C(=O)C3CCC3)CC2)n[nH]1 244601719 DQVLZOJOMCUOJY-UHFFFAOYSA-N 277.372 0.811 0 50 CCAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ncc[nH]1 253403494 HEZHFAKMTBXEQL-JTQLQIEISA-N 299.290 0.489 0 50 CCAA biogenic Cn1nc2c(cc1=O)CN(C(=O)NCc1ccco1)CC2 263615584 DCUAPMHAMDQHIC-UHFFFAOYSA-N 288.307 0.641 0 50 CCAA CCCOCc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)CN1 361958389 YGGRFOHEVQYIOM-CABCVRRESA-N 292.379 0.952 0 50 CCAA Cc1cc(N)n(CC(=O)NCCc2nncn2C(C)C)n1 299766401 CZAONGSRTCWDLF-UHFFFAOYSA-N 291.359 0.305 0 50 CCAA CC[C@@H](C(=O)NCC1CCN(C)CC1)N1CCOCC1 822554856 YDWGVGPNCFEKLW-AWEZNQCLSA-N 283.416 0.555 0 50 CCAA Cc1nnc(SCC(=O)NCc2nncn2C(C)C)o1 828032406 UAENTNLODQUFKC-UHFFFAOYSA-N 296.356 0.959 0 50 CCAA CC(C)n1cnnc1[C@@H](C)NC(=O)CN1CCOCC1 822280947 PRVKESXVHIPOJP-LLVKDONJSA-N 281.360 0.368 0 50 CCAA N=C1NC(=O)C2(CCN(Cc3nccs3)CC2)N1 826890980 HSONHAYRAIPLQU-UHFFFAOYSA-N 265.342 0.132 0 50 CCAA Cc1cccnc1CCNC(=O)CSc1nncn1C 862081609 GAPWNKIIQSSGSV-UHFFFAOYSA-N 291.380 0.970 0 50 CCAA C=CC(=O)NCCC(=O)NCCc1nc2ccccc2[nH]1 269485207 XOUCCPRGFSRXMQ-UHFFFAOYSA-N 286.335 0.914 0 50 CCAA O=c1ccnc2sc(N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)nn12 1875264658 FCCMZAJIESKTIV-DKBIXQPYSA-N 290.348 0.357 0 50 CCAA CC(C)(C)CC(=O)NS(=O)(=O)C[C@@H]1COCCO1 1875265703 ACZNQNXFGVIDDN-VIFPVBQESA-N 279.358 0.284 0 50 CCAA O=C(Nc1cnn[nH]1)c1ccn([C@@H]2CC2(F)F)n1 1875283714 BRSHVUCJXORDOQ-ZCFIWIBFSA-N 254.200 0.834 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@@H]2C[C@@H](O)[C@H]1C2 1875297431 PTKMSPKJYYDAIJ-WHGOUJPWSA-N 275.308 0.655 0 50 CCAA CN1CC[C@@H](CNC(=O)N=c2nc(C3CC3)[nH]s2)C1=O 1875271548 ZNLHODJQRWENFM-QMMMGPOBSA-N 295.368 0.437 0 50 CCAA CN(C)C/C=C/C(=O)N[C@H]1CCNC(=O)c2[nH]ccc21 1875377398 ZHUFDXBXMHXJAO-UFFNRZRYSA-N 276.340 0.423 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@H]1CC2(CC2)CO1 1875370318 KAVNHHYFAGFLNB-SNVBAGLBSA-N 252.314 0.316 0 50 CCAA N=c1nn[nH]n1CC(=O)N1CCCC[C@@H]1c1nccs1 952975578 JPSIQVSRAPUHFA-MRVPVSSYSA-N 293.356 0.296 0 50 CCAA CCOc1cc(N2CCN(C)[C@@H](CO)C2)nc(C)n1 894886429 VSLCTUDARVKFHM-LLVKDONJSA-N 266.345 0.296 0 50 CCAA CC1(C)CN(CCNC(=O)[C@@H]2NCC23CCCC3)CCO1 888101518 GCRSLHKNKHTKNA-ZDUSSCGKSA-N 295.427 0.746 0 50 CCAA CC(C)c1ncc(NC(=O)Cn2ncn(C)c2=O)cn1 279851060 DYGQKAZOKJQPOG-UHFFFAOYSA-N 276.300 0.134 0 50 CCAA O=C(O)c1cnc(C(=O)N[C@H]2COC3(CCC3)C2)cn1 585094061 FIUPHXLBKFPGSS-MRVPVSSYSA-N 277.280 0.616 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cnccc1C 643764022 MRRNAZHOYNEFIV-AWEZNQCLSA-N 263.341 0.856 0 50 CCAA CCc1cc(N[C@H]2CCN(C)C(=O)C2)n2ncnc2n1 683396229 SUHJMDNPJYGRBL-JTQLQIEISA-N 274.328 0.719 0 50 CCAA NC(=O)[C@@H]1CN(c2nc3c(F)cccc3o2)CCO1 683749238 XHIFSPSZJLSQNF-VIFPVBQESA-N 265.244 0.657 0 50 CCAA CO[C@@H]1C[C@H](NS(=O)(=O)c2cn[nH]c2)C12CCC2 713123992 SLFIZAJSEHKZTN-VHSXEESVSA-N 271.342 0.646 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(N)=O)ns1 570196528 FKWXLDAVHRJFIY-JGVFFNPUSA-N 253.327 0.835 0 50 CCAA CCCO[C@@H]1CCCN(C(=O)C2(O)CCN(C)CC2)C1 1506397540 WCWAUDPWNZFYOY-CYBMUJFWSA-N 284.400 0.861 0 50 CCAA O=C(CCc1n[nH]c2c1CCCC2)N1C[C@H](O)CO1 1506426937 JVCHPRZAVNSCIX-VIFPVBQESA-N 265.313 0.356 0 50 CCAA CCN(CCN1CCOCC1)C(=O)Cc1ccccn1 1506423302 XNNATIHUMYOMRS-UHFFFAOYSA-N 277.368 0.805 0 50 CCAA CNC(=O)c1ncn(-c2ccccc2)c1C(=O)NC 670422535 GTBRBHVSESCZDT-UHFFFAOYSA-N 258.281 0.592 0 50 CCAA C[C@H](C(=O)NC1CC1)N1CCN(Cc2cncnc2)CC1 123289247 GWDHWKANSTZIAQ-GFCCVEGCSA-N 289.383 0.261 0 50 CCAA Cc1ccncc1C(=O)N1CCO[C@@H](Cn2ccnn2)C1 636218722 VZWAQCNJFXENRI-GFCCVEGCSA-N 287.323 0.523 0 50 CCAA O=C(NC[C@H]1CCCN1)N1CCC[C@@H](CCO)CC1 333267481 JVPVTEWDGSPYFU-CHWSQXEVSA-N 269.389 0.933 0 50 CCAA CCc1nc(CC(=O)N2CCO[C@H](C(=O)O)C2)cs1 237034197 YGPFSZKWWDXLNR-VIFPVBQESA-N 284.337 0.560 0 50 CCAA COC(=O)N1CC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 252586745 SEEVVJKLNZWFEL-HBNTYKKESA-N 254.330 0.840 0 50 CCAA CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN2)CC1 36379760 MUWOCYONAOKDIN-LLVKDONJSA-N 283.372 0.818 0 50 CCAA in-vitro C[S@](=O)C1(CNC(=O)c2cnn3ccncc23)CC1 1647195564 ZNJHRHKCGABVJO-IBGZPJMESA-N 278.337 0.370 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C 928726116 JRJHJSPRYNVYSG-LLVKDONJSA-N 295.383 0.584 0 50 CCAA Cc1ncc(S(=O)(=O)NC[C@@]2(O)CCO[C@@H]2C)s1 228077593 IZLIJBOHQITSHB-XCBNKYQSSA-N 292.382 0.270 0 50 CCAA Cn1nnc(CN2CC[C@@H](CN3CCCC3)C2)n1 194437991 ADNJSJPLXLHJPL-NSHDSACASA-N 250.350 0.128 0 50 CCAA Cn1cc(C(=O)N(CC(=O)O)CC(C)(C)C)nn1 659781084 AHGGQIKPDIMMMU-UHFFFAOYSA-N 254.290 0.388 0 50 CCAA O=C(NCCN1CCCOC1=O)[C@@H]1CC12CCNCC2 534667643 AQQCXYRKMTYEBG-NSHDSACASA-N 281.356 0.335 0 50 CCAA O=C(O)C[C@@H](NC(=O)c1ccnnc1)C(F)(F)F 829372213 SFLBFYIQEFCEPB-ZCFIWIBFSA-N 263.175 0.612 0 50 CCAA COc1cccc(F)c1C(=O)N1C[C@H](O)[C@@H](F)C1 1615701640 CSVISAMBMXDETI-IUCAKERBSA-N 257.236 0.989 0 50 CCAA CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 585670014 YCSWTNOOIHXDLP-LYWQIFSTSA-N 259.302 0.968 0 50 CCAA O=C(NC[C@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O)c1ncc(C2CC2)o1 2325804789 QIUZOAPAESQPJI-HQPVMZNJSA-N 292.335 0.660 0 50 CCAA CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 617406 LYYCIMCPGGEDHK-LBPRGKRZSA-N 298.364 0.594 0 50 CCAA O=C(O)C[C@H]1C(=O)NCCN1CC1CCCCC1 1926635 AJFRMWAAAYOLHJ-NSHDSACASA-N 254.330 0.842 0 50 CCAA Cc1nccc(C(=O)N2CCC3(CC2)CN(C)CCO3)n1 2356153014 MZHOFJTYHGBZGD-UHFFFAOYSA-N 290.367 0.722 0 50 CCAA COC(=O)C(C(=O)OC)[C@H](O)C(Cl)(Cl)Cl 3132232 KPYSPWSMFGNDSQ-BYPYZUCNSA-N 279.503 0.680 0 50 CCAA COC[C@@H](C)S(=O)(=O)N1CCN2CCC[C@H]2C1 246640913 DWAIMTBVHSQKLF-MNOVXSKESA-N 262.375 0.131 0 50 CCAA CCO/C=C/C(=O)N1CC[C@@H](OC(=O)N(C)C)C1 493061561 YUIKDBNAVLHJOK-QEHWCHDUSA-N 256.302 0.836 0 50 CCAA CCOC(=O)CN1CCC(Cc2n[nH]c(=O)n2CC)CC1 65454192 VNINEUQZLSODFB-UHFFFAOYSA-N 296.371 0.409 0 50 CCAA CC(C)NC(=O)CCNC(=O)C1(N2CCOCC2)CCC1 253418419 QKPDAINZDVPYFW-UHFFFAOYSA-N 297.399 0.272 0 50 CCAA CN1CCN(CCCN(C)S(=O)(=O)C2(C)CC2)CC1 253419663 QTSSJCHPZSWCJA-UHFFFAOYSA-N 289.445 0.438 0 50 CCAA NC(=O)NCCC(=O)N1CC[C@@H](Nc2ccccc2)C1 363092757 LKULEFMOAKLGAT-GFCCVEGCSA-N 276.340 0.758 0 50 CCAA O=S(=O)(NC[C@@H]1CCn2ccnc2C1)C1CC1 328632786 SEKZMCSVATUREG-SECBINFHSA-N 255.343 0.527 0 50 CCAA CN(CC(=O)O)[C@@H]1CN(CCc2cccs2)C[C@H]1O 328603380 FZKFETZPVQOHLC-VXGBXAGGSA-N 284.381 0.352 0 50 CCAA COC[C@@H](C)C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328626578 LWXMSSBHDPUVEM-MNOVXSKESA-N 266.345 0.507 0 50 CCAA CCc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(=N)O)n[nH]1 328605804 PFVRHAFGFKPDFR-WPRPVWTQSA-N 297.334 0.650 0 50 CCAA O=C([C@@H]1CN(c2ncc(F)cn2)CCN1)N1CCCC1 72156949 GZCMJXOAWJZDOY-NSHDSACASA-N 279.319 0.016 0 50 CCAA CC(C)C[C@@H](N)C(=O)NCc1n[nH]c2c1CCC2 71416270 HIDJJHGLVNUTPF-SNVBAGLBSA-N 250.346 0.888 0 50 CCAA O=C(C(=O)N1CCCC12CCC2)N1CC[C@@H]2NCC[C@H]2C1 335196779 NYCDPPFSCQXEPM-STQMWFEESA-N 291.395 0.742 0 50 CCAA CCOC(=O)[C@H]1[C@@H]2C(=O)N3CCCO[C@H]3[C@@]23C=C[C@H]1O3 229930536 DNPZPPHKBCNQCS-FDACTJFASA-N 279.292 0.078 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCc1ccncc1C 222801881 VVDUSZPZNVUXCR-SECBINFHSA-N 251.286 0.751 0 50 CCAA CN1CCCC[C@H]1CC(=O)N1CCN(c2nc[nH]n2)CC1 426651249 HFKJLTSKQRVKHQ-LBPRGKRZSA-N 292.387 0.328 0 50 CCAA CC(C)c1noc(CNC(=O)N2CCC[C@H]2CO)n1 426641577 RIRLIJREZIVKCY-VIFPVBQESA-N 268.317 0.859 0 50 CCAA CC[C@H](NC(=O)c1nc(N)nc2c1CCCC2)C(=O)O 426581022 MVYQHDQRMQGAAF-QMMMGPOBSA-N 278.312 0.531 0 50 CCAA CC(C)Cc1cc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)n(C)n1 91351067 CYNZUMWHAWGELM-RYUDHWBXSA-N 295.383 0.291 0 50 CCAA Cc1ccn2c(C(=O)NCc3nc(O)n[nH]3)c(C)nc2c1 426552112 YUHSAXGSNNTMKN-UHFFFAOYSA-N 286.295 0.705 0 50 CCAA O=C(NCCc1ncc[nH]1)[C@H]1CC[C@@H](C(=O)O)C1 236450099 ANWJYSPBPIOANW-DTWKUNHWSA-N 251.286 0.569 0 50 CCAA Cc1nc2sccn2c1C(=O)N[C@@H]1C=CS(=O)(=O)C1 97819434 GEKGQUSWKWUBPJ-MRVPVSSYSA-N 297.361 0.745 0 50 CCAA CCc1nccn1CC(=O)N[C@@H](C)c1nnc(N)s1 244633260 FZXBTGZLVKXUNV-ZETCQYMHSA-N 280.357 0.757 0 50 CCAA O=C(NC1CCN(Cc2cccnc2)CC1)[C@H]1CCCN1 182172000 RPAJSBXPQWENCN-OAHLLOKOSA-N 288.395 0.914 0 50 CCAA Cc1cc(=O)n(CCN(C)CC2(C)COC2)c(O)n1 253536379 DKSURPRJVUBORK-UHFFFAOYSA-N 267.329 0.226 0 50 CCAA CCN1C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](OC)C1 534644217 MNEBLPHFKAGBJX-STQMWFEESA-N 284.381 0.684 0 50 CCAA CCN1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)CC1=O 452987845 KUOIICISKSQUCL-JTQLQIEISA-N 264.329 0.306 0 50 CCAA Cc1csc(CCCNC(=O)CN2CCOC2=O)n1 299780384 JQXMJJNSEIXOCL-UHFFFAOYSA-N 283.353 0.953 0 50 CCAA COCCN1C[C@H](CN(C)Cc2c[nH]nc2C)CC1=O 299798569 RDZNPJOVNNYWFM-LBPRGKRZSA-N 280.372 0.645 0 50 CCAA NC(=O)C1(NS(=O)(=O)N2CCCC2)CCCCC1 826828617 FLAJIZGWSLJCOR-UHFFFAOYSA-N 275.374 0.105 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCC2(CCN(C)CC2)C1 584901956 BXGIBLICLBUZDR-UHFFFAOYSA-N 263.345 0.671 0 50 CCAA O=c1c2cc(F)ccc2ncn1[C@H]1COC[C@@H]1O 584886269 SDACWHWXBPODFZ-QWRGUYRKSA-N 250.229 0.468 0 50 CCAA Cc1ccc(O)cc1C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 584897922 KLDNEOJWOBNOJX-TXEJJXNPSA-N 288.303 0.387 0 50 CCAA CO[C@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1O 670470623 LMALVFZHSVFWPZ-RYUDHWBXSA-N 250.298 0.232 0 50 CCAA COCCOCc1noc([C@H]2CCCc3nn[nH]c32)n1 952894354 NPAWVEBFDJPJRG-QMMMGPOBSA-N 279.300 0.819 0 50 CCAA COc1cc(C(=O)N2CC[C@H](Cc3nn[nH]n3)C2)ccn1 1875285824 ATXNSAXJSXDGDO-SECBINFHSA-N 288.311 0.308 0 50 CCAA CN(C[C@@H]1CCC(=O)N1)C(=O)N=c1nc(C2CC2)[nH]s1 1875271541 VPVGHYWUJXYUDQ-QMMMGPOBSA-N 295.368 0.580 0 50 CCAA CC(C)c1noc(CN2C[C@@H]3C[C@H]2CN3C(N)=O)n1 1875324467 ZXIPCWVPRKSAON-IUCAKERBSA-N 265.317 0.530 0 50 CCAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cnc[nH]1 1875402683 KEXDLLUDOYEPBY-CKYFFXLPSA-N 275.312 0.176 0 50 CCAA CNC(=O)c1ccc(NC(=O)CN(C)CCOC)c(C)c1 952977954 RNZPVDFLRVDWPH-UHFFFAOYSA-N 293.367 0.871 0 50 CCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)CCn2cncn2)C1 886077777 IRMYIWNIRPYYAM-KFWWJZLASA-N 293.415 0.852 0 50 CCAA CC(C)(C)OC(=O)N1CC(C(=O)O)(n2cccn2)C1 1082811435 ASQUWBDMAALGJH-UHFFFAOYSA-N 267.285 0.914 0 50 CCAA C[C@H](Nc1ccc2nnnn2n1)C(=O)NC(C)(C)C 134441661 QNYCFNZNGCRZEB-ZETCQYMHSA-N 263.305 0.234 0 50 CCAA Cn1cnc(CNC(=O)[C@@H]2NCCOc3ccccc32)c1 1775962395 JALCAGLZQRJHJK-CQSZACIVSA-N 286.335 0.760 0 50 CCAA CCNS(=O)(=O)c1cc(NCCOCC)ncc1F 1776004324 OWWNMXFRUDUUJF-UHFFFAOYSA-N 291.348 0.967 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)CCn1cccn1 1565529212 DKIGQAQRCZVQSW-QWRGUYRKSA-N 253.302 0.193 0 50 CCAA Cc1nn(C)cc1Cn1cc(S(=O)(=O)N(C)C)cn1 1363174238 FGJTWEVOIKWBTC-UHFFFAOYSA-N 283.357 0.224 0 50 CCAA C[C@H](NC(=O)C1CCCC1)C(=O)N1CC(N2CCCC2)C1 898613590 OOWTWYYFTRZSLI-LBPRGKRZSA-N 293.411 0.988 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@H]2C[C@@H](C)O)CC1 407967259 PTZMPTJPUMBANC-ZJUUUORDSA-N 254.330 0.275 0 50 CCAA CC(C)[C@@H](C(=O)N1CCO[C@@H]([C@H](C)O)C1)N(C)C 408472890 XRLLKDYIKOTYAS-TUAOUCFPSA-N 258.362 0.181 0 50 CCAA C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@H]1CCOC(C)(C)C1 408521770 WFKXHYOVKOUNNM-XHNCKOQMSA-N 256.302 0.557 0 50 CCAA C[C@H]1CCCN(C(=O)C(=O)N(C)CC(=O)NC(C)(C)C)C1 170597756 QESJGNIWYRGDHD-NSHDSACASA-N 297.399 0.618 0 50 CCAA C[C@H]1NC(=O)N(CCc2cccc(C(=O)N(C)C)c2)C1=O 170592653 QGAYJGPLQCCSBI-SNVBAGLBSA-N 289.335 0.871 0 50 CCAA CCOc1nnc(CN2CCO[C@@H](COC)C2)s1 170639803 OBNNOVMSFCLBJA-SECBINFHSA-N 273.358 0.784 0 50 CCAA CN(C(=O)c1ccc(-n2ccnc2)nn1)[C@H](CN)C1CC1 581725246 DHIXSYSYRBHWLO-GFCCVEGCSA-N 286.339 0.472 0 50 CCAA Cc1noc([C@H](C)OC(=O)c2cnc(C)[nH]c2=N)n1 584908085 LNCFTDBVZCRXOP-YFKPBYRVSA-N 263.257 0.807 0 50 CCAA CC1(C)CNC(=O)[C@@H]1NC(=O)Nc1ccc(F)cn1 585120043 JVMBUZJNSBCCSD-VIFPVBQESA-N 266.276 0.867 0 50 CCAA C[C@H]1CN(Cc2ccc(C(N)=O)cc2)CCS(=O)(=O)C1 192068551 DQTYKBUUSXMITD-NSHDSACASA-N 296.392 0.652 0 50 CCAA Cn1nccc1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529174527 XQDNLBZCOULQSW-CHWSQXEVSA-N 286.335 0.803 0 50 CCAA C[C@H]1[C@@H](C)N(C(=O)c2cscn2)CCS1(=O)=O 120938358 WMBXLLKSOPVXCL-SFYZADRCSA-N 274.367 0.791 0 50 CCAA CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1=O 15446217 CWRFSVAKVCSOPI-MRVPVSSYSA-N 257.286 0.986 0 50 CCAA in-vitro CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)nc1 261889564 STBGAOJBBBPLNE-UHFFFAOYSA-N 298.242 0.806 0 50 CCAA N[C@H]1CN(C(=O)Cn2ncc3cccnc32)CC12CCC2 1615555322 QZMJYULUIWBZAJ-LBPRGKRZSA-N 285.351 0.771 0 50 CCAA CN1C(=O)CCC12CCN(CC[C@@H]1COCCO1)CC2 1775982200 LSXFWOIOZASALR-CYBMUJFWSA-N 282.384 0.879 0 50 CCAA COc1cc(S(=O)(=O)NCCO)c(C)cc1C 11566265 JIOQEHZNXZVEMS-UHFFFAOYSA-N 259.327 0.583 0 50 CCAA Cc1nsnc1C(=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 1857687206 RDVPRVXGMCAFRG-YNFQOJQRSA-N 264.354 0.669 0 50 CCAA CCn1ncc(C(=O)N[C@H]2C[C@H]3CO[C@H](C)CN3C2)c1C 1857731952 VOEXDUPLWGDKQW-WXHSDQCUSA-N 292.383 0.803 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)N)CC1 335937625 SLBKAROGXYLIBN-SWLSCSKDSA-N 296.415 0.720 0 50 CCAA CC(C)[C@H]1CN(c2ccc(S(N)(=O)=O)cn2)CCCO1 338844947 BITOAUOGNPQZDM-GFCCVEGCSA-N 299.396 0.980 0 50 CCAA CCCCNC(=O)[C@H](C)N1CC[C@H](n2ccnn2)C1 585116358 RWESBVIDVDTFGZ-RYUDHWBXSA-N 265.361 0.830 0 50 CCAA CO[C@H]1CNC[C@@H]1NS(=O)(=O)CC1CCCC1 426493117 XXDDQDXKODFBCZ-QWRGUYRKSA-N 262.375 0.083 0 50 CCAA COC[C@@]1(C(=O)NCc2cnn(C)c2C)CCCN1 643778028 BRSPSUHHZRBOCJ-CYBMUJFWSA-N 266.345 0.113 0 50 CCAA Cc1cc(CNS(=O)(=O)CC2CCNCC2)n[nH]1 716766360 UFLKWOSCLALLLZ-UHFFFAOYSA-N 272.374 0.137 0 50 CCAA Cn1cnc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 53235 ZOHHRXHUFZXVTI-UHFFFAOYSA-N 288.282 0.621 0 50 CCAA Cn1[nH]c(COC(=O)[C@H]2C[C@H]3[C@@H](C2)C3(C)C)nc1=O 2325780852 UEBTWZILIWVAFO-PSVAKVPMSA-N 265.313 0.834 0 50 CCAA CS(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1 219434 XWNXZHPXYWTKIW-JTQLQIEISA-N 274.386 0.717 0 50 CCAA Cc1nnc2n1C[C@@H](CNC(=O)c1cccc3ncnn13)C2 2356148607 ILXUZBFWPQYWMV-SNVBAGLBSA-N 297.322 0.232 0 50 CCAA O=C(NCCCO)C(=O)NCc1ccccc1Cl 2958151 DMQZGGYJTBZWOU-UHFFFAOYSA-N 270.716 0.455 0 50 CCAA CC(C)n1nccc1C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 344164397 KNPOTOBUHJTSHD-LLVKDONJSA-N 299.396 0.971 0 50 CCAA CS(=O)(=O)N1CCN(C2Cc3ccccc3C2)CC1 55487303 YACWPFGBWOAOOK-UHFFFAOYSA-N 280.393 0.731 0 50 CCAA C[C@@H]1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 54799151 GQIYILFUQMDXQU-LLVKDONJSA-N 288.413 0.917 0 50 CCAA O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)c1ccccc1 101827092 OVHZCESSRWPSTC-KKOKHZNYSA-N 284.271 0.270 0 50 CCAA Cc1ccc(C2(O)CCN(C(=O)[C@H]3CCCN3)CC2)nc1 67868133 RACBCLQATHFRCE-CYBMUJFWSA-N 289.379 0.952 0 50 CCAA CNc1ncc(CN(C)C[C@]2(O)CCCNC2)cn1 72421537 QQVDKSBHOXXWPX-ZDUSSCGKSA-N 265.361 0.065 0 50 CCAA CC(C)(CO)CCCN1C(=O)[C@@H]2COCCN2C1=O 348856160 ZXRSRXUDZVZELT-JTQLQIEISA-N 270.329 0.448 0 50 CCAA C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 229662876 KGQQDOVOTLIMTO-CKYFFXLPSA-N 293.319 0.927 0 50 CCAA OCc1nnn(C[C@H](O)c2ccc(Cl)cc2)c1CO 409444166 LIDZANIRMGFNNI-LBPRGKRZSA-N 283.715 0.650 0 50 CCAA CN(C(=O)CC(O)CC(=O)N(C)C1CC1)C1CC1 253417979 JOHJIJMCLGJCAS-UHFFFAOYSA-N 254.330 0.369 0 50 CCAA C[C@@H]1CN(C(=O)c2n[nH]c3ccccc3c2=O)C[C@@H](C)N1 153970978 VLIHAGSRPKPCTO-NXEZZACHSA-N 286.335 0.746 0 50 CCAA CN(C[C@H]1CCc2nccn2C1)C(=O)CN1CCOCC1 328641469 XXIAOVCQWDAFEB-CYBMUJFWSA-N 292.383 0.236 0 50 CCAA CN1C(=O)[C@@H]2CN(C(=O)c3c(O)cccc3F)C[C@@H]2C1=O 216161771 QWUOMRCEKAPMRL-OCAPTIKFSA-N 292.266 0.218 0 50 CCAA O=C(NCCCN1CCOCC1)c1ccncc1F 130611006 GSRQFEOZGQCKIM-UHFFFAOYSA-N 267.304 0.673 0 50 CCAA C/C(=C\C(=O)N1CCO[C@@H](c2nn[nH]n2)C1)C1CC1 370855187 IIKNWNOPVVLRFI-QEHWCHDUSA-N 263.301 0.456 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc3cc[nH]c3c2)C1 284618674 OXMPXRKDIMVHCU-AAEUAGOBSA-N 287.319 0.883 0 50 CCAA Cc1cnc(N2CCC[C@](O)(Cn3ccnn3)C2)nc1C 284837706 WJBYQDXLPBBKST-CQSZACIVSA-N 288.355 0.716 0 50 CCAA CN1C(=O)C[C@@H](N[C@@H]2CCCOC2)[C@@H]1c1ccnn1C 284965505 WSEJTLUVOFZSEH-JTNHKYCSSA-N 278.356 0.461 0 50 CCAA COCc1nc(C)c(C(=O)N[C@@H]2CCC(=O)NC2=O)s1 340264129 LPJHHACOWYXXEL-SSDOTTSWSA-N 297.336 0.133 0 50 CCAA Cc1nnc(C(=O)NCc2cccc(CO)n2)s1 614518779 MMKGQUQPAJUKSM-UHFFFAOYSA-N 264.310 0.664 0 50 CCAA Cc1c(C(=O)N2CCN(CCO)CC2)ccn1C 195100286 XDZDSCUNQLCGNP-UHFFFAOYSA-N 251.330 0.084 0 50 CCAA CO[C@H](C)CNC(=O)NCCNC(=O)c1cccnc1 190277328 KYSMDLAHSUXOAE-SNVBAGLBSA-N 280.328 0.146 0 50 CCAA CC(C)N1C[C@H](c2nc(CN3CCOCC3)no2)CC1=O 96132285 YCCZFVBLMQMOPU-LLVKDONJSA-N 294.355 0.626 0 50 CCAA Cc1ccc2nc(C(=O)NCc3nnn[nH]3)cn2c1 97813781 DREOCPCGLBRETI-UHFFFAOYSA-N 257.257 0.086 0 50 CCAA CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H](C)[C@H]1CN 236731634 DTPVIXSAKIISPF-NWDGAFQWSA-N 290.429 0.643 0 50 CCAA CCN1C[C@@H](C(=O)NCCc2nnc(C)s2)CC1=O 95385402 MJIBNVFRRTXXHL-VIFPVBQESA-N 282.369 0.374 0 50 CCAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CO)C2 95383652 HCDFKEHHOMRNST-GXTWGEPZSA-N 288.347 0.742 0 50 CCAA CC(=O)N(C)CC(=O)N[C@@H]1CCN2CCCC[C@@H]12 334208432 XILCCUSNFPKDJS-NEPJUHHUSA-N 253.346 0.208 0 50 CCAA CCN(C)c1ccnc(C[C@@H]2CC(=O)N(CCOC)C2)n1 244723552 MDPAIBPROUMCTA-GFCCVEGCSA-N 292.383 0.970 0 50 CCAA COCCn1nc(C)c(CNC(=O)[C@@H]2C[C@H]2C(=O)O)c1C 299751084 PKZUITYBDXLNFU-GHMZBOCLSA-N 295.339 0.483 0 50 CCAA CCC[C@@H](CN=c1[nH]cc(F)c(=NC)[nH]1)N(C)C 534590051 RZMHIOHQOFUAJQ-VIFPVBQESA-N 255.341 0.643 0 50 CCAA CC[C@H](NC(=O)CSc1nnc(C)o1)c1ncnn1C 534634820 ULXVGMIKKZZSMO-QMMMGPOBSA-N 296.356 0.866 0 50 CCAA CCN1C[C@H](NC(=O)c2cc(OC)ccn2)[C@@H](OC)C1 534640164 GPVDDXMEYPGMEK-STQMWFEESA-N 279.340 0.539 0 50 CCAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C1CCNCC1 584895181 JESOWHIQILIXTR-FICVDOATSA-N 295.427 0.839 0 50 CCAA c1cnc2nc(CN3CCC[C@@H](c4nc[nH]n4)C3)nn2c1 670458877 MVCUZFTXAJCRTR-SNVBAGLBSA-N 284.327 0.622 0 50 CCAA C=CC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 863971380 QXFKMRYIYVCUCN-ZETCQYMHSA-N 250.220 0.699 0 50 CCAA Cc1nonc1CNC(=O)N1CCN(C)[C@@H](C(C)C)C1 873285945 HIGSWZZLWHDFAR-GFCCVEGCSA-N 281.360 0.860 0 50 CCAA COC(C)(C)CNC(=O)N1C[C@H](c2cn(C)cn2)[C@@H](N)C1 1553456633 PFSSEJBYZHXTHZ-QWRGUYRKSA-N 295.387 0.281 0 50 CCAA CC(C)N(CCN)C(=O)c1ccnc2[nH]c(O)nc12 1875347893 VIOWTLYHPJFGGA-UHFFFAOYSA-N 263.301 0.473 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@H]1CCCn2nccc21 1875333385 QWKIRWSOGZMDQM-FWYAXHSGSA-N 263.297 0.606 0 50 CCAA O=C(O)C1CC(O)(CNCc2cccnc2O)C1 1875354902 SORWXRNPIKBTLU-UHFFFAOYSA-N 252.270 0.103 0 50 CCAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1Nc1cncc2ncnn12 1875398298 KVOIDZIMLRPOTB-IJLUTSLNSA-N 299.338 0.572 0 50 CCAA Nc1ncccc1CNCCN1CCCC[C@H]1CO 952980058 TXNUKOSLWFPLRR-ZDUSSCGKSA-N 264.373 0.600 0 50 CCAA C[C@H](CCc1ccccc1)N[C@@H]1CS(=O)(=O)C[C@H]1O 245245612 FBJYIKUTEXSHKY-MRVWCRGKSA-N 283.393 0.755 0 50 CCAA C[C@@H](O)C(=O)N[C@](C)(CO)Cn1cnc2ccccc21 1363081193 GWPNYUSJUFBUNT-YGRLFVJLSA-N 277.324 0.284 0 50 CCAA C[C@H]1CN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)CCO1 408190994 BZILMHGUALMEHE-OUAUKWLOSA-N 263.359 0.604 0 50 CCAA CN1CC[C@H](C(=O)N(CC(C)(C)O)C2CC2)CC1=O 408376102 RCAHRPYZZFUDHQ-JTQLQIEISA-N 268.357 0.617 0 50 CCAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1nc[nH]n1 275579888 IUPZNXMAARTKBI-ONGXEEELSA-N 290.327 0.415 0 50 CCAA NC[C@@H]1CN(C(=O)c2c(F)cc(F)cc2F)CCO1 86995718 BTFHDNFNJUZIIE-MRVPVSSYSA-N 274.242 0.904 0 50 CCAA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2O)c(C)n1C 629228174 ZEMQVIZKFNQZCE-RYUDHWBXSA-N 252.314 0.522 0 50 CCAA COC[C@@H](O)CN(C)c1cc(C(=O)N2CCCC2)ccn1 1704338782 ZNPKGPCZCFJGHV-ZDUSSCGKSA-N 293.367 0.761 0 50 CCAA C[C@](O)(CNc1ncnc2ccsc12)C(=O)O 263543380 FGXOQVAIBLUQMR-JTQLQIEISA-N 253.283 0.939 0 50 CCAA O=C(CC1OCCO1)N1CCC[C@@H](c2ncon2)C1 1596849792 SIZGWFVIADAEKX-SECBINFHSA-N 267.285 0.539 0 50 CCAA O=C(C1Cc2ccccc2C1)N1C[C@H]2CNC[C@]2(CO)C1 1772712784 QETZAPAWFLRYLS-NVXWUHKLSA-N 286.375 0.442 0 50 CCAA O=C(O)C[C@H](NC(=O)Nc1ccccc1)C(=O)O 16887742 PVOMSCXABOONPM-QMMMGPOBSA-N 252.226 0.736 0 50 CCAA CC(=O)N1CC(C(=O)Nc2cc(C(=O)N(C)C)ccn2)C1 332433377 JSAQAJFAWFLCSZ-UHFFFAOYSA-N 290.323 0.200 0 50 CCAA COc1ccc(CCNC(=O)[C@H]2C[C@@H](O)CN2)cc1F 262460409 FSJXKTVSPLAOHE-ZYHUDNBSSA-N 282.315 0.216 0 50 CCAA C[C@@H](C(=O)NCC(=O)N=c1ccn(C)[nH]1)c1ccccc1 585108329 MZAZDFZFVSOOQT-LLVKDONJSA-N 286.335 0.700 0 50 CCAA Cc1cc(C(=O)O)c(O)c(S(=O)(=O)N(C)CCF)c1 906995868 HJNUJGTXNGTSRB-UHFFFAOYSA-N 291.300 0.989 0 50 CCAA Cn1cc(N2CC[C@@H](N3CCn4ccnc43)C2=O)cn1 931525060 BUYBNWRZGYVIJE-LLVKDONJSA-N 272.312 0.242 0 50 CCAA N[C@@H]1C[C@@H](NC(=O)c2coc(CO)c2)C12CCC2 1263264286 HTHGVRRSLVJTDQ-GHMZBOCLSA-N 250.298 0.772 0 50 CCAA Cc1nccn1CC(=O)N[C@@H](CC(=O)O)C(C)C 223427839 RABYLFWNJDJHTK-JTQLQIEISA-N 253.302 0.807 0 50 CCAA CNC(=O)c1ccccc1NC(=O)c1cc[nH]c(=O)c1 230172965 AMHMFINAZZPDJF-UHFFFAOYSA-N 271.276 0.987 0 50 CCAA CN1C(=O)CC[C@H](N2C(=O)c3cccc(F)c3C2=O)C1=O 1987970608 RMYTXVCGVFFXSD-VIFPVBQESA-N 290.250 0.569 0 50 CCAA CN1CCO[C@@H](C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 172814241 QBGOXEXOBTWTDM-GFCCVEGCSA-N 275.308 0.450 0 50 CCAA Cc1n[nH]c(C)c1NC(=O)CN1CC(F)(F)C[C@H]1CO 366683255 KJKISWWXSWCIJF-VIFPVBQESA-N 288.298 0.667 0 50 CCAA CN(C)[C@@H]1CCC[C@H]1NC(=O)CCc1cn[nH]c1 584893132 UVFGBJGEXSBAQQ-VXGBXAGGSA-N 250.346 0.941 0 50 CCAA COc1nc(C(=O)N[C@@H]2COc3ccccc3C2)nn1C 2100537961 YXPOIODIKGCFBP-JTQLQIEISA-N 288.307 0.557 0 50 CCAA COc1ccc(C(=O)NN2CCOCC2)c(OC)c1 433716 JQWSAUUZXSBKIH-UHFFFAOYSA-N 266.297 0.681 0 50 CCAA O=C(O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 3263990 VTNRTTDFAKWFGC-UHFFFAOYSA-N 291.350 0.396 0 50 CCAA O=C(N[C@H]1CCS(=O)(=O)C1)Oc1ccccc1 6672229 RYUKATRJFGVLCQ-VIFPVBQESA-N 255.295 0.962 0 50 CCAA O=C(NCCn1cccn1)N1CCC[C@@H](CO)C1 114971648 VYGPRVOHOXNOGQ-LLVKDONJSA-N 252.318 0.297 0 50 CCAA Nc1cc(N2CCN3CCC2CC3)nc(N2CCCC2)n1 65383072 PTTMIADKGORPHF-UHFFFAOYSA-N 288.399 0.943 0 50 CCAA CNC(=O)CCN(C)c1nc(C)nc2c1c(C)nn2C 72411124 XFNQGRBYOGVSGR-UHFFFAOYSA-N 276.344 0.552 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)COc1cccnc1 282188114 NRKYBYAFZYEISH-ONGXEEELSA-N 263.297 0.244 0 50 CCAA Cc1ccc([C@@H](O)CNC(=O)[C@H]2CNCCO2)cc1 151916711 ZKNXHJSSIKRPGS-QWHCGFSZSA-N 264.325 0.133 0 50 CCAA CCS(=O)(=O)N1CCC[C@H](NC(=O)N(C)C)C1 334654746 OFSBAKXQAXCTRM-VIFPVBQESA-N 263.363 0.072 0 50 CCAA CN1CCN(C(=O)CN(CC(=O)O)c2ccccc2)CC1 34926577 IKALENXVHZWXIK-UHFFFAOYSA-N 291.351 0.352 0 50 CCAA CC(C)OC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 372173304 PNJHRLLIPSEUSF-NSHDSACASA-N 253.302 0.676 0 50 CCAA O=C(NC[C@@H](O)c1ccc(Cl)cc1)[C@@H]1COCCN1 262635116 OACFSOHMEVXXCR-NWDGAFQWSA-N 284.743 0.478 0 50 CCAA CS(=O)(=O)[C@@H]1CCN(C(=O)NCCn2cccc2)C1 239762106 CKVMHAVAALFNDY-LLVKDONJSA-N 285.369 0.317 0 50 CCAA Nc1n[nH]c(C(=O)N2CCC[C@H](c3ncn[nH]3)C2)c1Cl 215492746 LIIAPSWVEJHQLM-LURJTMIESA-N 295.734 0.783 0 50 CCAA Cn1cccc1C(=O)N1CCC[C@](O)(Cn2ccnn2)C1 284510068 DPTYMJOUORVNQZ-CQSZACIVSA-N 289.339 0.284 0 50 CCAA C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](C(=O)O)C1 178257018 NZEZOTJSYNSMFB-UWVGGRQHSA-N 264.281 0.782 0 50 CCAA C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(C)C2=O)c2nccn21 527989741 GFAYGMUAZNQJCW-GMTAPVOTSA-N 291.355 0.809 0 50 CCAA O=C(c1nc[nH]c2nccc1-2)N1CCC[C@H](OCCO)C1 612680107 PONGXVJXRFGYDK-JTQLQIEISA-N 290.323 0.523 0 50 CCAA CCn1cc(CN(C)C(=O)CN2CCC[C@@H](O)C2)c(C)n1 426491021 HJHCBJOVSZRFPM-CQSZACIVSA-N 294.399 0.627 0 50 CCAA CCC[C@]1(CO)CCCN(C(=O)C2(C(N)=O)CC2)C1 91695544 URTOWGBVIOYQQJ-ZDUSSCGKSA-N 268.357 0.653 0 50 CCAA c1cnn(C[C@H]2CN(Cc3c[nH]cn3)CCCO2)c1 97402525 OHJBGRDDLNDJPI-CYBMUJFWSA-N 261.329 0.897 0 50 CCAA CCc1nnc2ccc(N3CCS(=O)(=O)[C@H](C)C3)nn12 181152349 ZYILPRCENKRVOI-SECBINFHSA-N 295.368 0.310 0 50 CCAA CNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 245230225 NPNBRDAWKZSZPO-WNPHYYBUSA-N 287.312 0.129 0 50 CCAA biogenic CCOC[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)CCO1 624339764 UJELARFWLKUSLQ-RYUDHWBXSA-N 272.345 0.612 0 50 CCAA CSCC(=O)NCCn1ncc2ccccc2c1=O 534642726 UUYAMWOHYCFNNP-UHFFFAOYSA-N 277.349 0.876 0 50 CCAA Cc1ncc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)cn1 299766091 CBRXWDCVAJCBPY-UONOGXRCSA-N 286.339 0.722 0 50 CCAA Cc1nnc(CN2CCN(C)[C@@H](CCO)C2)s1 299759055 HGAOBKLSWGVAEC-JTQLQIEISA-N 256.375 0.345 0 50 CCAA O=C(c1cc(Cl)c[nH]1)N1CCC[C@](O)(c2cnn[nH]2)C1 583617757 OGZBVEASRAMLEN-GFCCVEGCSA-N 295.730 0.910 0 50 CCAA CNC(=O)C[C@@H]1CCN(Cc2nnc(C)s2)C1 823821039 PQIZGAPZODJZAR-VIFPVBQESA-N 254.359 0.805 0 50 CCAA CC[C@]1(O)CCCN(C(=O)CN2CCCN(C)CC2)C1 584892759 XFYZXDVICRNBJH-HNNXBMFYSA-N 283.416 0.387 0 50 CCAA COc1cccc(CCCN2CCNC[C@@H]2CO)c1 685943432 ONSUFYILCHFVDZ-CQSZACIVSA-N 264.369 0.894 0 50 CCAA NC[C@H](C(=O)Nc1cccnc1O)C1CCOCC1 864741214 JJJCTADCFRJWHV-JTQLQIEISA-N 265.313 0.727 0 50 CCAA CNC(=O)[C@]12CCOC[C@H]1CN(c1ncc(F)cn1)C2 952852351 AGUXNMAIQORQHD-RNCFNFMXSA-N 280.303 0.205 0 50 CCAA Oc1n[nH]c(CN=c2ccnc(C3CCCC3)[nH]2)n1 1875261101 XMMIOFQVDYCNQW-UHFFFAOYSA-N 260.301 0.992 0 50 CCAA C[C@@H]1CNCCN1Cc1cc(C2CCNCC2)no1 1875266296 BXCXAAXFRHKNAH-LLVKDONJSA-N 264.373 0.935 0 50 CCAA C[C@H](ONC(=O)CN1C(=O)CCCC1=O)c1ccncc1 1875298141 PIFJJAQWFJYNSZ-JTQLQIEISA-N 291.307 0.730 0 50 CCAA Cc1cc(CO)nc(N2CCc3c(O)nc(O)nc3C2)n1 1875344355 DFDMOMXHDUGYIO-UHFFFAOYSA-N 289.295 0.041 0 50 CCAA CN1CCN(c2ccc3nc(O)cc(=O)n3c2)CC1 1875368247 BPANRYMDFYSGGU-UHFFFAOYSA-N 260.297 0.152 0 50 CCAA CCc1cnc(N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)nc1 1076057166 VXKKMXRKBNMVQA-OLZOCXBDSA-N 286.339 0.981 0 50 CCAA CN1CCC[C@H]1CN1CCN(c2cnccn2)CC1 244659510 HDXZSAMBYROYRG-ZDUSSCGKSA-N 261.373 0.693 0 50 CCAA O=C(Cc1cncc(O)c1)N[C@@H]1C[C@@H](O)C12CCOCC2 887000184 ZLCHJHDFKZQCLH-CHWSQXEVSA-N 292.335 0.376 0 50 CCAA CC1(C)CN(c2nccn3ccnc23)CCN1CCO 893368447 JTGBKVSSCTWTBL-UHFFFAOYSA-N 275.356 0.622 0 50 CCAA N[C@H]1CCN(c2ncc(C(=O)O)cc2Cl)C[C@@H]1O 1565510247 BBYGZDDCLDZZOR-IUCAKERBSA-N 271.704 0.332 0 50 CCAA NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCNC1 216277969 HMHKJVMQSNNNKS-TZMCWYRMSA-N 287.363 0.425 0 50 CCAA C[C@@H]1OCC[C@@H]1N[C@@H]1CCCN(c2nccn(C)c2=O)C1 275632261 SIHWDBJOXSJJTA-XQQFMLRXSA-N 292.383 0.516 0 50 CCAA CO[C@H]1CN(C(=O)NCc2c(C)nn(C)c2C)C[C@H]1OC 276828472 GHLJEGUPNZCHFQ-BETUJISGSA-N 296.371 0.592 0 50 CCAA CC(C)n1nccc1C(=O)N[C@]1(CCO)CCOC1 278246769 ZZLCIRYCPXHNJE-CYBMUJFWSA-N 267.329 0.735 0 50 CCAA CC[C@H](C(=O)N[C@@H]1CCCOC1)N1CCCC1=O 170644223 IQVVAWBIKVKKEK-GHMZBOCLSA-N 254.330 0.683 0 50 CCAA COCc1nn(C[C@@H]2Cc3ccccc3O2)c(=O)o1 170664871 IAOQEHCVKGTWBQ-JTQLQIEISA-N 262.265 0.986 0 50 CCAA CCNC(=O)COc1ccc(CN[C@H](C)C(=O)OC)cc1 170619070 FDRVGLKHHAKKIH-LLVKDONJSA-N 294.351 0.853 0 50 CCAA Cc1nnc(N2CCC[C@H](n3cc(CO)nn3)C2)s1 579329545 WUMULTDQFBYRHR-JTQLQIEISA-N 280.357 0.772 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)Cc1cccnc1 189051753 VRERUGMDYVGEEM-CYBMUJFWSA-N 275.352 0.997 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cc(OC)ccn1 643825692 WMFDAQGCADNKOY-CQSZACIVSA-N 279.340 0.557 0 50 CCAA O=C1CCCC[C@@H](C(=O)N2CC[C@]3(CCOC3)C2)N1 194303765 MBQFHYWONMAUBB-FZMZJTMJSA-N 266.341 0.684 0 50 CCAA O=C(CCc1cn[nH]c1)NCC(=O)N1CCCC1 952860251 JMOCHLNKUBQKEA-UHFFFAOYSA-N 250.302 0.081 0 50 CCAA CCN(C)c1cc(NCCCc2nn[nH]n2)ncn1 1506416898 NAOBRMJYWBZZFP-UHFFFAOYSA-N 262.321 0.491 0 50 CCAA O=C1NCCC[C@]12CN(CC1CCC1)CC[C@H]2O 1857683975 TYUPURDCOLIOPH-TZMCWYRMSA-N 252.358 0.750 0 50 CCAA CO[C@@H]1C[C@H](C(=O)N(C)Cc2ccon2)CC[C@@H]1O 1704312368 ADIDUZIGAWONTC-ADEWGFFLSA-N 268.313 0.809 0 50 CCAA O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@@H]2CNC[C@@H]21 212557045 RMDDTSLYXINQBV-OCCSQVGLSA-N 283.335 0.701 0 50 CCAA CC(=O)N1CCN(CCNC(=O)[C@@H]2[C@H](C)C2(F)F)CC1 408231689 OJQJEEYQWWKVFX-ONGXEEELSA-N 289.326 0.168 0 50 CCAA CN(C[C@H](O)CF)[C@@H]1CCCN(c2cccnn2)C1 1615587072 AXLNEZVUOSJELD-VXGBXAGGSA-N 268.336 0.708 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)c1ccn(C2CCCC2)n1 1615629243 OGFZXISUQWBULC-CHWSQXEVSA-N 278.356 0.715 0 50 CCAA C[C@@H]1CN(C(=O)[C@@]2(C)CCCN2)C[C@@]2(CCNC2)O1 1616041276 NRHUVRLOEGPALX-BNOWGMLFSA-N 267.373 0.108 0 50 CCAA O=C1CC2(CCN(CC[C@@H]3COCCO3)CC2)CC(=O)N1 1775977792 JILLZNCKTULSSK-GFCCVEGCSA-N 296.367 0.311 0 50 CCAA C[C@@H](N(C)C(=O)c1ccc(S(N)(=O)=O)cn1)C1(C)CC1 332133520 KGWAMEZKSPPOPX-SECBINFHSA-N 297.380 0.990 0 50 CCAA CCn1nncc1CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 643772526 FVBFKEOILKGBCT-NEPJUHHUSA-N 276.344 0.983 0 50 CCAA CCOC(=O)[C@@H]1CC[C@H](O)CN1C(=O)C(F)(F)F 575603346 DRDLSZKQQDHQTR-BQBZGAKWSA-N 269.219 0.464 0 50 CCAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(c1ncccc1F)C2 1704331081 KEZCBBOCBFMYMO-MNOVXSKESA-N 295.314 0.442 0 50 CCAA Cc1nc(CNC(=O)c2ccc3n[nH]nc3c2)n[nH]1 216545762 QZTHCELMXFGIQG-UHFFFAOYSA-N 257.257 0.314 0 50 CCAA CC(C)C[C@H](N)C(=O)N1CCOCCOCCOCC1 244261 UTWPBEBEZACJCY-ZDUSSCGKSA-N 288.388 0.252 0 50 CCAA CNC[C@@H]1CCCN1C(=O)c1ccc(N(C)C)nc1 237125097 QYNAKSXPLBMPMM-LBPRGKRZSA-N 262.357 0.972 0 50 CCAA O=C(O)[C@H]1CC[C@@H](C(=O)NCCc2cn[nH]c2)C1 379564470 DLBCHTMLEMNDFN-ZJUUUORDSA-N 251.286 0.569 0 50 CCAA O=C(Cc1ccccc1)N1CCC[C@@](O)(C(=O)O)C1 386819834 QTEUGRXKKKCHFX-AWEZNQCLSA-N 263.293 0.667 0 50 CCAA Cc1cc(CN2C[C@H](O)[C@H](O)[C@H](O)C2)cc2cccnc12 2325802683 UKGJRAJQDSVSMI-MIFYACCESA-N 288.347 0.442 0 50 CCAA CCOC(=O)[C@H](C(C)=O)[C@@H](C(C)=O)C(=O)OCC 1866984 GJEDSIHWCPPJFN-NXEZZACHSA-N 258.270 0.523 0 50 CCAA CCC[C@]1(C(=O)O)CCN(CCn2ccnc2)C[C@H]1O 2356147371 SVOONXOVAFKYMA-OCCSQVGLSA-N 281.356 0.821 0 50 CCAA C[C@@H]1C(=O)N(C2CC2)Cc2nnc(-c3cc[nH]n3)n21 2356153497 JNLTUAOWMCBDCX-SSDOTTSWSA-N 258.285 0.734 0 50 CCAA CN(C)[C@H]1CN(Cc2ccn3ncnc3c2)CC[C@@H]1O 2356167139 TWMQFZFWJAHUDP-STQMWFEESA-N 275.356 0.226 0 50 CCAA COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 6668507 XEYZSHOGXNVOGM-UHFFFAOYSA-N 285.321 0.963 0 50 CCAA CCN(c1ccc(OCC(N)=O)cc1)S(C)(=O)=O 10009943 BIPKHDSHGRPYJD-UHFFFAOYSA-N 272.326 0.337 0 50 CCAA Cc1nc2c(c(N(C)C[C@@H]3COCCO3)n1)CCNCC2 63883115 ZJZXTHCGFTZMLH-GFCCVEGCSA-N 292.383 0.325 0 50 CCAA CC[C@H](C(N)=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 119751232 LLVUMWWIXWIVBW-IZGVIRRGSA-N 294.443 0.493 0 50 CCAA COc1nc(C)c(C(=O)N2[C@H]3CC[C@@H]2CC(=O)NC3)s1 65420900 CRDNMSDYJAWANF-BDAKNGLRSA-N 295.364 0.953 0 50 CCAA CCN1CC[C@H](CN(C)c2ncnc3c2CCNC3)C1 67459656 KYKDHNGVMXWNKC-GFCCVEGCSA-N 275.400 0.900 0 50 CCAA C[C@H](CS(C)(=O)=O)NC(=O)c1cc(Cl)cn1C 172054095 CZUZALCMRZCBBR-SSDOTTSWSA-N 278.761 0.841 0 50 CCAA COCC1(S(=O)(=O)N2CCOC3(CCC3)C2)CC1 333459637 UGVXKKZPOATRDL-UHFFFAOYSA-N 275.370 0.750 0 50 CCAA C[C@H](Oc1ccccn1)C(=O)N1CCN2C(=O)CC[C@H]2C1 333501537 CQGSXRZSGNQOCQ-RYUDHWBXSA-N 289.335 0.682 0 50 CCAA Cn1ccnc1-c1nccn1C[C@H]1CCS(=O)(=O)C1 71762930 QXJKDEFZQXFHEM-SNVBAGLBSA-N 280.353 0.718 0 50 CCAA CCCc1cc(C(=O)NC[C@H]2COCCO2)no1 448747342 AESOCLKLQVCFNP-JTQLQIEISA-N 254.286 0.772 0 50 CCAA CC[C@H]1CN(C(=O)C2(OC)CCNCC2)CCO1 150903156 NAVSMVZUQIMUDW-NSHDSACASA-N 256.346 0.392 0 50 CCAA Cn1ccnc1SCCNC[C@@]1(O)CCCNC1 77505284 HCYNJHJETUWMHB-GFCCVEGCSA-N 270.402 0.216 0 50 CCAA CCC[C@@](C)(O)C(=O)NCc1nnc(S)n1CC 125222538 PJLJNJJUUSHYTM-LLVKDONJSA-N 272.374 0.754 0 50 CCAA C[C@@H](CN1C(=O)NC2(CCNCC2)C1=O)Cn1cccn1 77504805 URVMYBVUYHDIPC-LLVKDONJSA-N 291.355 0.193 0 50 CCAA Cc1nccc(CN2CCC[C@H](N=c3cncc[nH]3)C2=O)n1 363999840 MYAPQEMRQJFRMN-ZDUSSCGKSA-N 298.350 0.600 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)COCc2ccccc2)CCO1 43700995 KZSOGTGILWTQIY-LBPRGKRZSA-N 279.292 0.515 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21 284771194 AALITOVFPWFKLB-VXGBXAGGSA-N 290.367 0.730 0 50 CCAA COCCNC(=O)Cn1sc2ccccc2c1=O 40285132 DAKIZACFFOMXOA-UHFFFAOYSA-N 266.322 0.826 0 50 CCAA Cc1nn(CCC(=O)N2CCN(C)C(=O)[C@@H]2C)c(C)c1C 220720279 GOPOPGCPOMBABB-ZDUSSCGKSA-N 292.383 0.888 0 50 CCAA Cc1cc([C@H]2CCCCN2C(=O)Cn2nnnc2N)no1 222998261 MYALOEFAMVFXKY-SNVBAGLBSA-N 291.315 0.306 0 50 CCAA COCCN(Cc1nccs1)C(=O)[C@@H]1COC(=O)N1 426489454 ZPVGAUIZHOXVOZ-QMMMGPOBSA-N 285.325 0.227 0 50 CCAA CN(Cc1cnn(C)c1)C(=O)c1ccc(=O)n(C)c1 193471550 PTGJJFSJTANDBU-UHFFFAOYSA-N 260.297 0.391 0 50 CCAA O=C(NCCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 426519168 COKMFUAFGJFAMR-SECBINFHSA-N 288.394 0.627 0 50 CCAA O=C(O)COc1ccc(CN2CC[C@H](O)[C@@H](O)C2)cc1 97334157 RLKLITGHQQYDCG-STQMWFEESA-N 281.308 0.078 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)O)c1ccccc1 236814795 VFRURYMCBARRQA-CHWSQXEVSA-N 290.319 0.939 0 50 CCAA CCc1nc(CN2CCOCS2(=O)=O)cs1 91664699 OOONTHYFJMQFGE-UHFFFAOYSA-N 262.356 0.825 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1C1CC1 91411440 FWDDWDBGLMEBBQ-NWDGAFQWSA-N 277.324 0.912 0 50 CCAA O=C(c1ccoc1)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 372541753 AFRWXPWAKHSHFF-CYBMUJFWSA-N 292.335 0.991 0 50 CCAA CO[C@H]1CN(C(=O)CCCN2CCCC2)C[C@@H]1O 824504691 CQZZRQMOUDXLGA-RYUDHWBXSA-N 256.346 0.081 0 50 CCAA COc1ncc(CN2CCN(C3CCOCC3)CC2)cn1 824852072 PFUIJMPRPDWTAC-UHFFFAOYSA-N 292.383 0.782 0 50 CCAA COCCn1ccnc1CN1CCN2C(=O)OC[C@H]2C1 824466463 SOQOMNLZLCIKTK-LLVKDONJSA-N 280.328 0.166 0 50 CCAA CC(C)C(=O)N1CCC[C@H](Nc2ccc(C(=O)O)nn2)C1 584892455 YRESVFYBFAXEJB-JTQLQIEISA-N 292.339 1.234 0 50 CCAA CCCn1cnnc1[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 584900310 KYSRDZVKOHPRHZ-SECBINFHSA-N 290.327 0.273 0 50 CCAA COCc1noc(CNC(=O)Cc2c(C)noc2C)n1 584890934 LLKJZBMFCZBRFA-UHFFFAOYSA-N 280.284 0.680 0 50 CCAA C=CC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 863971473 UTUKIEKGJDYQRM-SNVBAGLBSA-N 262.313 0.051 0 50 CCAA Cc1ncc(C(=O)N2CC[C@@H]([C@H](F)C(=O)O)C2)c(C)n1 1548600647 QIBZSQUQUMKTPS-KOLCDFICSA-N 281.287 0.978 0 50 CCAA CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)CC2OCCO2)C1 1875262165 BLPAZELOGRHWKS-VHSXEESVSA-N 297.311 0.429 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)c2nc[nH]c3nccc2-3)C1 630256828 YEFYXGDSKBIWST-CYBMUJFWSA-N 290.279 0.225 0 50 CCAA O=C(Cc1cnns1)N[C@H]1CCOC[C@H]1N1CCCC1 1875397016 HVVOQEUSDDMQSJ-NWDGAFQWSA-N 296.396 0.450 0 50 CCAA CCc1cc(COCCNC(=O)/C=C/CN(C)C)on1 1875379148 NVCLJABXIGPGSJ-AATRIKPKSA-N 281.356 0.988 0 50 CCAA C=CC(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1 1875365658 MICSEPLJWLZVGW-GFCCVEGCSA-N 266.341 0.706 0 50 CCAA Cc1nn(C)cc1CN1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076038518 CRVOLRAUBBIOFS-KGLIPLIRSA-N 288.355 0.666 0 50 CCAA Cc1cc(N)n(CC(=O)NC[C@@H](C)Oc2cccnc2)n1 952985806 HKPYEIVISSICEQ-LLVKDONJSA-N 289.339 0.752 0 50 CCAA Cc1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cnn1 888079143 DMQZNZAZPMEPKY-QJPTWQEYSA-N 273.296 0.086 0 50 CCAA CN1CCN(c2ccnc(-c3nccs3)n2)C[C@H]1CO 894882433 XCGFDCXVCXWTGR-JTQLQIEISA-N 291.380 0.713 0 50 CCAA CCNC(=O)CNC(=O)[C@@H](F)[C@H](C)C(F)(F)F 1775999018 MDPZILHEMPEPKW-FSPLSTOPSA-N 258.215 0.775 0 50 CCAA CSc1ncccc1C(=O)N1CC[C@@](C)(O)[C@@H](O)C1 96139085 BAGGSFNXZGLSGG-GXFFZTMASA-N 282.365 0.761 0 50 CCAA COc1ccc(C)cc1NC(=O)N[C@H]1CCC(=O)NC1=O 271192390 SLFSBNIMYOBIHZ-VIFPVBQESA-N 291.307 0.930 0 50 CCAA CO[C@@](C)(C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O)C1CC1 408238978 WFWSJCCSGSSCQW-ZIAGYGMSSA-N 295.339 0.002 0 50 CCAA CCn1nc(C)c(C(=O)NC[C@@H](CO)[C@@H]2CCOC2)c1C 280880666 ZKZSNEDWHWMCHC-OLZOCXBDSA-N 295.383 0.895 0 50 CCAA O=C(CCc1cccnc1)N1CCOC[C@@H](O)C1 77300339 BYSGRCYFGAWJMN-LBPRGKRZSA-N 250.298 0.234 0 50 CCAA COC[C@H](C)S(=O)(=O)NC(=O)[C@H]1CCCO[C@@H]1C 791810919 VITLFGGFYOTKMT-AEJSXWLSSA-N 279.358 0.282 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)N(C)c1cnn(C)c1 408233076 RKHMCZJRZFHBMP-NSHDSACASA-N 250.302 0.394 0 50 CCAA CCn1cc(C(=O)N2CCCNC(=O)[C@@H]2C)c(C)n1 626628754 BRCQZTGHIDWQGS-JTQLQIEISA-N 264.329 0.562 0 50 CCAA Cc1noc(CCCC(=O)N2CCNC[C@H]2C)n1 125337456 QHVYCPVYRMZCBJ-SECBINFHSA-N 252.318 0.521 0 50 CCAA CCOc1cccc(S(=O)(=O)N[C@H]2C[C@H](N)C2)c1 261965569 ATWXVNVPDWNFPE-MGCOHNPYSA-N 270.354 0.853 0 50 CCAA O=C(c1cc2ncccn2n1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775978694 UUXSUALTMOXTFY-JGPRNRPPSA-N 272.308 0.572 0 50 CCAA CN(C)C(=O)c1cccc(N2CCC([C@H](O)CO)CC2)n1 1772710245 TVUIWGJNFKJOIE-CYBMUJFWSA-N 293.367 0.353 0 50 CCAA Cc1n[nH]c(SCC(=O)Nc2nncs2)n1 5575735 WISJLPNRIHMWMU-UHFFFAOYSA-N 256.316 0.695 0 50 CCAA CC[C@@]12COC(=O)N1CCN(CCc1nccn1C)C2 1857678729 QEWAGILZCRZRKU-CQSZACIVSA-N 278.356 0.879 0 50 CCAA CO[C@@H]1CC[C@H](c2nc(C)nn2-c2cnn(C)c2)C[C@H]1N 1857712524 QCSLTQQWNBAXKQ-CYZMBNFOSA-N 290.371 0.919 0 50 CCAA Cc1noc(C)c1C(=O)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857714308 PIVCNJSZMVGKKB-WOPDTQHZSA-N 280.324 0.903 0 50 CCAA CC(C)[C@@H]1CN2C[C@H](NC(=O)c3cnc(O)[nH]3)C[C@H]2CO1 1857715605 ZJOWVCOMKSQOHI-SCVCMEIPSA-N 294.355 0.343 0 50 CCAA O=C1COc2ccc(C(=O)N3C[C@@H](F)C[C@H]3CO)cc2N1 366672406 BKEAUEHVFIXOBF-UWVGGRQHSA-N 294.282 0.562 0 50 CCAA COc1cccc(CN=c2[nH]c(C3CC3)nc(=N)[nH]2)n1 1875275401 LUIWOWKBDJTMRU-UHFFFAOYSA-N 272.312 0.599 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1CC12CCOCC2 238074213 AVIUGYKJGZENKR-ZJUUUORDSA-N 253.298 0.879 0 50 CCAA C[C@@H]1CNCCN1S(=O)(=O)c1ncn(C)c1Cl 193355972 ORDMSTVYAMEVEX-SSDOTTSWSA-N 278.765 0.056 0 50 CCAA CCc1nc(C)c(C(=O)N2CC[C@@](O)(CN(C)C)C2)o1 72146623 GHLWQJPMKXSWGD-CQSZACIVSA-N 281.356 0.684 0 50 CCAA O=C(NCCc1cnn[nH]1)[C@H]1COc2ccccc2C1 426496840 HRTSRNGGFVPNFV-LLVKDONJSA-N 272.308 0.715 0 50 CCAA O=c1c2cnc3ncnn3c2ccn1CCc1c[nH]cn1 9262593 KKRFFSWSFPQOES-UHFFFAOYSA-N 281.279 0.405 0 50 CCAA CC1(C)CN[C@H](C(=O)N2CCc3c[nH]c(=N)nc3C2)C1 2325795916 FEXDQULSEJHLNN-JTQLQIEISA-N 275.356 0.162 0 50 CCAA CCOC(=O)C1=C(C)O[C@@]2(O)c3ccccc3C(=O)[C@]12O 187373 UGGKRXKFQMVAEG-CABCVRRESA-N 290.271 0.626 0 50 CCAA CS(=O)(=O)c1ncc(CO)n1Cc1ccccc1 1392478 SBFWCAHNEMQRKW-UHFFFAOYSA-N 266.322 0.827 0 50 CCAA CN(C)[C@H]1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)CC1 2356145133 CMBNIHUYKXKHCB-PHIMTYICSA-N 278.356 0.620 0 50 CCAA COc1ccc([C@H]2NN=C(S)NN2)c(OC)c1 6793406 IBGWYCAUTPKVKS-UHFFFAOYSA-N 254.315 0.601 0 50 CCAA Nc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)CC(=O)N2 9360744 GIEFQUHKPWEZHK-QMMMGPOBSA-N 274.255 0.965 0 50 CCAA COC(=O)[C@H]1COCCN1C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 135528564 LDOUHSZUDVXTHM-FIQHERPVSA-N 265.309 0.599 0 50 CCAA CCc1cc(CN(C)C(=O)c2cc(=O)[nH]c(O)n2)on1 67878802 HKGKUYAYIWVLPU-UHFFFAOYSA-N 278.268 0.298 0 50 CCAA C[C@@H](C(=O)NCc1cccnc1-n1ccnc1)n1cncn1 29909237 PEBFMDWWSQXNGV-NSHDSACASA-N 297.322 0.736 0 50 CCAA Nc1c(C2=NCCCN2)nnn1Cc1ccccc1 307027917 IGSGBDHDXQEFIZ-UHFFFAOYSA-N 256.313 0.649 0 50 CCAA Cc1noc(C)c1-n1c(C2CCN(C)CC2)n[nH]c1=O 65529879 KKZJGNPLWQCGME-UHFFFAOYSA-N 277.328 0.975 0 50 CCAA C[C@H](OCC1CC1)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 252504690 CRFYRCSNVVEHHO-AEGPPILISA-N 296.411 0.859 0 50 CCAA COc1ccc(C(=O)NCCCn2ccnn2)c(OC)n1 219121597 UKCNJHCMPFSBIL-UHFFFAOYSA-N 291.311 0.510 0 50 CCAA O[C@H]1C[C@@H]2CN(Cc3cccc4nonc34)C[C@@H]2C[C@H]1O 216298453 MLPGARHGHSKAIE-VWUVDNNOSA-N 289.335 0.786 0 50 CCAA Cc1nc(=NC(=O)CCn2c(C)csc2=O)s[nH]1 330916538 KTRMKRURFWWDQA-UHFFFAOYSA-N 284.366 0.829 0 50 CCAA COCCO[C@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 374964835 KGGGDSYJWFHMMY-NSHDSACASA-N 297.355 0.249 0 50 CCAA CC(C)Oc1cccc(C(=O)N2CC(=O)N[C@H](C)C2)n1 331349039 XMQGWROTBWFYCY-SNVBAGLBSA-N 277.324 0.829 0 50 CCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(N)=O)c(F)c1 72151369 VRYAYSGGNCSPJP-GFCCVEGCSA-N 295.314 0.010 0 50 CCAA CCc1nc(CN(C)[C@H]2CCN([C@H]3CCOC3=O)C2)no1 257366470 ZWFXJVBQYSFLEF-QWRGUYRKSA-N 294.355 0.454 0 50 CCAA O=S(=O)(N1CCOCC1)N1CC(c2ccccn2)C1 72158987 LHKDKDOEFRAESC-UHFFFAOYSA-N 283.353 0.058 0 50 CCAA Cc1cc(C(=O)N2CCC3(CC2)CC(=O)N(C)C3)n(C)n1 77423720 REPHJKUDWJFOTN-UHFFFAOYSA-N 290.367 0.813 0 50 CCAA O=C(C[C@@H]1COCCN1)NCc1cn2ccccc2n1 72157607 MDWFANDIKSJJFS-LLVKDONJSA-N 274.324 0.329 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)[C@@H]1C[C@H]1C1CCNCC1 336189699 NFMNFQIAFOESFB-NWDGAFQWSA-N 279.384 0.359 0 50 CCAA C[C@@H]1C(=O)NCCN1C(=O)NC[C@@H]1N(C)CCCC1(C)C 336482082 NSUCAXNJVKTWOH-NEPJUHHUSA-N 296.415 0.637 0 50 CCAA C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1nc(=O)[nH][nH]1 215790687 DBDJMZNYBJYADZ-LURJTMIESA-N 276.252 0.318 0 50 CCAA Cc1nc(S(=O)(=O)N2CC(c3cccnc3)C2)cn1C 72120937 XPQIUGMVNXTMPG-UHFFFAOYSA-N 292.364 0.912 0 50 CCAA Cc1nc2sccn2c1C(=O)NC[C@@]1(O)CCNC1 72165306 HZLVYVCWMJVCRC-GFCCVEGCSA-N 280.353 0.158 0 50 CCAA c1cn(CCN2CCCC2)c(-c2cc3n(n2)CCNC3)n1 72408936 TXKDAPHCEUHDNK-UHFFFAOYSA-N 286.383 0.946 0 50 CCAA COc1ncccc1C(=O)N1C[C@H](F)C[C@H]1C(N)=O 287049257 VNAQNCCNXSILBN-APPZFPTMSA-N 267.260 0.128 0 50 CCAA Cc1ccc(CCNC(=O)CCn2cnnn2)s1 221177097 QYWXCUIPIUJXAW-UHFFFAOYSA-N 265.342 0.792 0 50 CCAA CCn1cc(CN(C)CC(=O)NC[C@H]2CCCO2)c(C)n1 426530780 ISHARCMGCAHADL-CQSZACIVSA-N 294.399 0.938 0 50 CCAA CC[C@H](NC(=O)c1cccc(=O)[nH]1)c1ncnn1CC 223202047 NSEYKOBUXJAPML-VIFPVBQESA-N 275.312 0.867 0 50 CCAA CN(C)C(=O)CN1CCC[C@](CO)(CC2CC2)C1 92046754 RWGAPOAPDSXTAZ-AWEZNQCLSA-N 254.374 0.949 0 50 CCAA CCc1ncc(C(=O)NCc2cc(COC)[nH]n2)cn1 95354985 SQUVZXGCRLDSGW-UHFFFAOYSA-N 275.312 0.839 0 50 CCAA Cc1ncc(C(=O)N2C[C@@H]3CCCN[C@@H]3C2)c(C)n1 96154115 KXHOPJZXNWAFJS-WCQYABFASA-N 260.341 0.917 0 50 CCAA C[C@H]1CN(C[C@H]2CCCN2C(=O)CN)C[C@@H](C)O1 237675724 TVYMJWJLOMJTJP-GRYCIOLGSA-N 255.362 0.045 0 50 CCAA C[C@@H]1CN(C(=O)Cn2cnnc2)C[C@@]1(O)C1CCC1 91746483 QSVJYLMSQWQKJE-MFKMUULPSA-N 264.329 0.288 0 50 CCAA NC(=O)N1CCC[C@@H](c2nc(CN3CCOCC3)no2)C1 95363566 UKPLTMONVGNWRM-SNVBAGLBSA-N 295.343 0.160 0 50 CCAA Cc1cnc(CNC(=O)C[C@@H]2CN(C(C)C)CCO2)cn1 97819588 RDSMGVZKFNROSG-CQSZACIVSA-N 292.383 0.901 0 50 CCAA C[C@@H]1SCCN(C(=O)[C@H]2CCNC(=O)C2)[C@H]1C 245986611 FGNFAFGVXYHAQM-GUBZILKMSA-N 256.371 0.865 0 50 CCAA NC1(C(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)CC1 244659433 HCNLXAFSMBUJRZ-IHRRRGAJSA-N 274.364 0.976 0 50 CCAA Cn1ccnc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1 534671748 MXJRCELKQQGYOX-QWRGUYRKSA-N 264.329 0.013 0 50 CCAA CCc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)nc(N(C)C)n1 534640915 HIAARNZQDIHVTE-IAZYJMLFSA-N 276.340 0.872 0 50 CCAA Cc1ocnc1C(=O)NCC1(CN2CCN(C)CC2)CC1 299788469 SRBHFRYUBQECPO-UHFFFAOYSA-N 292.383 0.740 0 50 CCAA Cc1ccc(NC(=O)N[C@@H]2CNCC[C@H]2O)cc1F 299782879 NQONPWUHUPVEIK-VXGBXAGGSA-N 267.304 0.978 0 50 CCAA OC[C@H]1CCCN(CCCNc2cnccn2)C1 828711187 OZGAOYVOXZWOGV-LBPRGKRZSA-N 250.346 0.983 0 50 CCAA CN1CC[C@@](C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)C1 823754948 JLVMTTOWALHANV-KEPMVKOISA-N 252.314 0.117 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)CC1CCNCC1 584889063 DUHDDWMRWCGZJH-RYUDHWBXSA-N 256.346 0.296 0 50 CCAA COCCCn1cnnc1CNC(=O)c1cc(C)nn1C 584889032 DYSKIPQBBBEWBS-UHFFFAOYSA-N 292.343 0.287 0 50 CCAA CCN1CCCC[C@H]1C(=O)NCc1nc(COC)no1 670457644 GQOCPLVCGGTQBP-JTQLQIEISA-N 282.344 0.707 0 50 CCAA Cc1ncc(C(=O)N2CC[C@H]([C@H](F)C(=O)O)C2)c(C)n1 1548600649 QIBZSQUQUMKTPS-ONGXEEELSA-N 281.287 0.978 0 50 CCAA CC[C@H]1CCN(C(=N)NCCc2cn(C)nn2)C1 1875269002 MSCDEZSQEPYTFK-JTQLQIEISA-N 250.350 0.614 0 50 CCAA Cc1ccc(CNC(=O)NC[C@@H]2CCCNC2)c(=O)n1C 1875320909 ZRFROWSORFYBRL-GFCCVEGCSA-N 292.383 0.493 0 50 CCAA COC(=O)[C@@H](NC(=O)CCc1cscn1)C(C)(C)O 1875383213 LJHRHFBOTGVMKO-SNVBAGLBSA-N 286.353 0.504 0 50 CCAA Cn1ccc2ccnc(C(=O)NCCc3nc(O)n[nH]3)c21 1875333083 ZCVKXSASFOKYAQ-UHFFFAOYSA-N 286.295 0.370 0 50 CCAA Cc1c(CN2CCC[C@](O)(c3cnn[nH]3)C2)cnn1C 886066060 UFQLWUQCUYSCQB-CYBMUJFWSA-N 276.344 0.330 0 50 CCAA CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2C[C@@](C)(O)C2)c1 1363451730 GYUFVXDEHVIAHP-XBXGTLAGSA-N 297.376 0.874 0 50 CCAA O=S(=O)(NCCCN1CCOCC1)c1ccccc1 19596468 VCFORTKXFGRSHT-UHFFFAOYSA-N 284.381 0.687 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cncc2ncn(C)c12 630391990 IDOQGUXVCBTBEA-PSASIEDQSA-N 287.323 0.365 0 50 CCAA Cc1nsc(N2CC(CN3CCOCC3)C2)n1 408518581 OSVNVPGYCKLREJ-UHFFFAOYSA-N 254.359 0.615 0 50 CCAA C/C=C/C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C(=O)OCC 170081423 QRVWJIZMWCMFEY-FWCMMDKOSA-N 282.340 0.527 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccon2)C1 643810373 BIVMBJBACZEHDA-CYBMUJFWSA-N 267.329 0.480 0 50 CCAA COc1cccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1O 84092721 NQDQNSAWSVUJAJ-SECBINFHSA-N 278.308 0.751 0 50 CCAA CCn1nc(N2CC[C@@H](CC(=O)NC)C2)nc1OC 1704298275 GFRQLHTVEPAWGK-VIFPVBQESA-N 267.333 0.269 0 50 CCAA CCOC(=O)N1CCN(c2cncc(N)n2)CC1 225624927 UPTGLEIESCKEPE-UHFFFAOYSA-N 251.290 0.337 0 50 CCAA O=C(O)CCC(=O)N[C@@H](C(=O)O)c1ccccc1F 1608704875 FWCONAFEHBOQGD-LLVKDONJSA-N 269.228 0.932 0 50 CCAA O=C(NCc1cnco1)C(F)(F)c1cnccn1 1875332972 STTFKOQQTVTYGU-UHFFFAOYSA-N 254.196 0.873 0 50 CCAA COCCC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 348029423 SGTLMVFNVAZVBA-STQMWFEESA-N 270.373 0.735 0 50 CCAA CCN(CC)C(=O)CN1C[C@H](Cc2cc(C)no2)[C@@H](O)C1 1616076165 FEYCRXKGTCINHH-JSGCOSHPSA-N 295.383 0.687 0 50 CCAA COC(=O)CCCn1nc(-c2cccnc2)oc1=O 1615550879 MXOLTBLZJIWTPM-UHFFFAOYSA-N 263.253 0.852 0 50 CCAA CC[C@@H]1COCc2nnc(-c3nc[nH]c3C(=O)NC)n21 1772810971 MMYHCPSXNWMKAX-SSDOTTSWSA-N 276.300 0.509 0 50 CCAA CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 19867496 RLKRYLZGZKYLPE-UHFFFAOYSA-N 288.394 0.895 0 50 CCAA CC(C)c1nnc(NC(=O)CN2CCOCC2)s1 19973639 NVBHYXJXYATTFT-UHFFFAOYSA-N 270.358 0.932 0 50 CCAA Cc1nsnc1-c1nc(CC(N)=O)nn1C(C)(C)C 1857712163 MEHXCWBWSHGPIC-UHFFFAOYSA-N 280.357 0.888 0 50 CCAA Cc1nc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)n[nH]1 428251428 ZOLUCNLEEPQYMO-GFCCVEGCSA-N 293.371 0.326 0 50 CCAA COCCn1ccc(=NC(=O)N2CCOC(C)(C)[C@H]2C)[nH]1 331169607 NJYJJXYLEZXWLT-LLVKDONJSA-N 296.371 0.983 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1ncc(F)cc1F 643939875 VJOLFOODFJRCFX-ZDUSSCGKSA-N 299.277 0.466 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1Cc1ccc(C(=O)N(C)C)[nH]1 332704210 NQRKYUCWZRAYDP-QWHCGFSZSA-N 295.383 0.952 0 50 CCAA CC[C@](C)(N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(N)=O 390835673 USWUSCLNLGTJAN-KCJUWKMLSA-N 295.305 0.783 0 50 CCAA CN(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 2874602 XRRFZAOHJPDHBE-UHFFFAOYSA-N 257.315 0.105 0 50 CCAA COc1ncccc1CN1C[C@@H]2COC[C@H](C1)N(C)C2 1704328951 QCOOXSAFRIUEPM-OCCSQVGLSA-N 277.368 0.853 0 50 CCAA COc1ccnc(N2CCN(CCC(=O)O)C[C@H]2C)n1 910455945 LZTKGULIAICCDK-SNVBAGLBSA-N 280.328 0.470 0 50 CCAA Cc1nnccc1NC(=O)NCCN1CCO[C@@H](C)C1 930817865 ZFUUMGYXZIYIQH-JTQLQIEISA-N 279.344 0.627 0 50 CCAA Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)n(C)n1 165928158 DDDNXZUHYAYOEV-UHFFFAOYSA-N 281.312 0.340 0 50 CCAA Cc1cc(=O)n2nc(CN(C)c3cnn(C)c3)sc2n1 177805300 VYOZDYJTCHKOQD-UHFFFAOYSA-N 290.352 0.829 0 50 CCAA CCOC(=O)C(C)(C)C(=O)N1C[C@@H](O)C(C)(C)C1 408268838 PCTJYARTGIKAOI-SECBINFHSA-N 257.330 0.805 0 50 CCAA Cn1nnnc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 331657601 SODFKNRISYIQOD-NWDGAFQWSA-N 277.303 0.657 0 50 CCAA NC12CC(CNC(=O)C3(C(F)(F)F)CCNCC3)(C1)C2 2325769178 RTTLIELKDRZXRB-UHFFFAOYSA-N 291.317 0.916 0 50 CCAA Cn1nnc(C(=O)N2CC[C@H]3CC[C@]32CN)c1C(F)F 2325792253 PVKGYXKVSDOBBO-KRTXAFLBSA-N 285.298 0.706 0 50 CCAA Cc1cc(C)n([C@H](C)CNC[C@H](O)Cn2cccn2)n1 2325812543 TWTVCFPPTZAZQI-KGLIPLIRSA-N 277.372 0.908 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@H](COC)C1 859368223 WGQZGLCSJRZAFF-NSHDSACASA-N 254.330 0.516 0 50 CCAA COC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 6697222 ORJOBCFOXOREJW-UHFFFAOYSA-N 279.264 0.904 0 50 CCAA CC(C)N1CCO[C@@H](C(=O)N2CCSCC2)C1 225704473 ZWHZBWKGWIQRCJ-LLVKDONJSA-N 258.387 0.671 0 50 CCAA CSCC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 52988646 JKZPBHCZALQCPO-UHFFFAOYSA-N 299.440 0.506 0 50 CCAA COc1cccc(CN2CCO[C@@H](CNC(C)=O)C2)n1 172191000 IANRUWFTNGVRSY-ZDUSSCGKSA-N 279.340 0.427 0 50 CCAA CC(=O)NCC(=O)N1Cc2cnc(CC(C)C)nc2C1 67446679 HZLMTDQCJJUPML-UHFFFAOYSA-N 276.340 0.653 0 50 CCAA C[C@H]1C[C@H](NC(=O)c2cnnn2C)C(=O)N1c1ccccc1 253394768 DQXSZXNQNCVOHX-JQWIXIFHSA-N 299.334 0.739 0 50 CCAA CC(C)N1CC[C@H](N2C(=O)[C@@H]3CCCN3C2=O)C1=O 253393903 FXFSXODRCGTIHK-UWVGGRQHSA-N 265.313 0.422 0 50 CCAA Cc1cc(C)c(C(=O)N(C)CCc2ncon2)c(=O)[nH]1 216193187 RWRWVGWQIPDXNA-UHFFFAOYSA-N 276.296 0.689 0 50 CCAA C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cccnc1 330653592 ZGQFENSSRKWVCU-DGCLKSJQSA-N 263.341 0.609 0 50 CCAA CC(=O)N1CCC[C@@H](CNC(=O)c2c[nH]cc(C)c2=O)C1 334071639 LOVYTQDKNPGGAT-LBPRGKRZSA-N 291.351 0.672 0 50 CCAA Cc1nc(CCNC(=O)[C@@H]2CNCCO2)sc1C 72122338 CBEFDBOGQOKLFH-JTQLQIEISA-N 269.370 0.407 0 50 CCAA Cc1cc(C(=O)N2CCS(=O)(=O)CC2)cc(C)n1 215746184 OUABPNLPDBPHEP-UHFFFAOYSA-N 268.338 0.569 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)CCc2cncn2C)N(C)C1 284611289 BDOKGICFYJHYFV-KBPBESRZSA-N 294.399 0.530 0 50 CCAA CC(C)[C@@](C)(O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 337688649 KPTLXOSKBXQXPP-GOEBONIOSA-N 298.427 0.964 0 50 CCAA CNc1cc(C)nc(C[C@@H]2CC(=O)N(CCOC)C2)n1 223494810 FEAUINNANQZTHP-LLVKDONJSA-N 278.356 0.864 0 50 CCAA Cc1cccc(=O)n1CCCNC(=O)c1cnco1 220108774 DVGVEONUBSNGAC-UHFFFAOYSA-N 261.281 0.965 0 50 CCAA Cc1cc(=O)cc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)o1 220244505 NCVRTIHVUZAEAS-STQMWFEESA-N 292.335 0.229 0 50 CCAA O=C(Cn1cnnn1)Nc1cccc(C(F)(F)F)n1 161516299 LBVNHXGPWWSCAI-UHFFFAOYSA-N 272.190 0.726 0 50 CCAA CSCCc1nc(-c2n[nH]nc2C)n(CCO)n1 97425646 QNRHDQLQZFJOAQ-UHFFFAOYSA-N 268.346 0.269 0 50 CCAA COc1cc(C(=O)O)cc(C(=O)N[C@H]2CCOC2)c1 426711530 YMVPPTDSOVIVNP-JTQLQIEISA-N 265.265 0.912 0 50 CCAA CCN1CCC[C@H](CN(C)C(=O)Cn2ccnn2)C1 426527700 GUJDODBJZPWNML-GFCCVEGCSA-N 265.361 0.468 0 50 CCAA NC(=O)C1CCN(CCc2nc([C@H]3CCOC3)no2)CC1 96150460 OODJOMSBEXWFBN-NSHDSACASA-N 294.355 0.313 0 50 CCAA CNC(=O)C[C@@H](C)N(C)C(=O)NCc1ncc[nH]1 426389663 MMFGBRKRFVPPMI-MRVPVSSYSA-N 253.306 0.076 0 50 CCAA CCN1C[C@@H](C(=O)NCCn2cc(Cl)cn2)CC1=O 95366747 OGRJPIPQXWEFFK-VIFPVBQESA-N 284.747 0.521 0 50 CCAA O=C(O)[C@@H]1CN(CCO)C[C@H]1c1ccc(F)cc1 91644373 GSYBKCSYKDXRSJ-NWDGAFQWSA-N 253.273 0.918 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)c2ccc(C)cc2F)[C@H](O)C1 244701162 KBILCCMIIVCAJQ-ZIAGYGMSSA-N 294.326 0.846 0 50 CCAA O=C(COC[C@H]1CCCO1)NCc1noc(C2CC2)n1 244678698 IIMRFDVFZWTRRL-SNVBAGLBSA-N 281.312 0.759 0 50 CCAA CN(C)C(=O)c1cncc(NCC2(CO)CCC2)n1 342833070 WUJRHRPMVGXCLA-UHFFFAOYSA-N 264.329 0.753 0 50 CCAA CN1CCC(CCC(=O)NC2(C(=O)O)CC2)CC1 534655976 JDIVMTOPNZJFQX-UHFFFAOYSA-N 254.330 0.842 0 50 CCAA Cn1cnc(S(=O)(=O)N[C@@H](c2nccn2C)C2CC2)c1 534637045 HKCPJVWSIVMYOV-LLVKDONJSA-N 295.368 0.583 0 50 CCAA COc1cc(C[C@H](C(=O)O)N(C(C)=O)C(C)=O)ccc1O 261507770 MCYUYZCMMVJZHC-LLVKDONJSA-N 295.291 0.792 0 50 CCAA CCn1cc(CNS(=O)(=O)N(C)C(C)C)c(C)n1 534644069 UOYQGILWKDYODB-UHFFFAOYSA-N 274.390 0.886 0 50 CCAA Cc1cc(C)n(CC(=O)N2CCN3C(=O)OC[C@H]3C2)n1 374589118 VIPUDRXPHRIMHT-LLVKDONJSA-N 278.312 0.163 0 50 CCAA C[C@@]1(CNC(=O)CCC(=O)Nc2nncs2)CCCO1 828019313 BMTJJAUBVAJUEV-LBPRGKRZSA-N 298.368 0.942 0 50 CCAA NCCC(=O)NC[C@H]1CCCCN1C[C@@H](O)C(F)(F)F 864097543 YZIUDWHFAKAFCW-NXEZZACHSA-N 297.321 0.229 0 50 CCAA O=C(CC12CC(C1)C2)N1CCC(O)(Cn2ccnn2)CC1 1875293871 GGIIFVYDCUHLCP-UHFFFAOYSA-N 290.367 0.822 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)[C@@H]1C[C@H]1c1ccccc1 1875255631 RVUAOVDOJKBSDS-WDEREUQCSA-N 272.308 0.973 0 50 CCAA Cn1nc(C2CC2)nc1Cn1c(=O)ccn(C2CC2)c1=O 1875281065 NQJRHGQIPAVNAH-UHFFFAOYSA-N 287.323 0.399 0 50 CCAA CCCO[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1 952970473 CWOWOEWKJCWMTH-LLVKDONJSA-N 270.329 0.856 0 50 CCAA CO[C@@H]1CN(C(=O)c2occc2C)C[C@H]1c1cn(C)nn1 886075603 QJCCUDASMGOYEJ-CMPLNLGQSA-N 290.323 0.971 0 50 CCAA O=C1CC[C@@H](N2Cc3ccc(C(=O)O)cc3C2=O)C(=O)N1 958536951 VYEOSXYFNDBTHT-SNVBAGLBSA-N 288.259 0.146 0 50 CCAA COCCN(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1C(=O)O 268908957 LYUAVUOJONFQKT-MNOVXSKESA-N 267.281 0.975 0 50 CCAA CC(C)[C@@H](C)CC(=O)N1CCC(O)(C(N)=O)CC1 408069935 GIYHUSJRUJMQJR-JTQLQIEISA-N 256.346 0.507 0 50 CCAA CO[C@@]1(C)C[C@@H](N(C)C(=O)CCc2nn[nH]n2)C1(C)C 631571107 YMDICMCRKMXORL-RNCFNFMXSA-N 281.360 0.794 0 50 CCAA COCc1ccc(C(=O)N[C@@H]2CCCCNC2=O)o1 193008282 BREQCKGCYWCLLT-SNVBAGLBSA-N 266.297 0.825 0 50 CCAA CCc1nc(=NCCNc2ncccn2)s[nH]1 584907703 VGEXLBGVLFASHM-UHFFFAOYSA-N 250.331 0.836 0 50 CCAA CN(CC[C@H]1CCCCO1)C(=O)CN1CCOC1=O 1506414075 NHLQYDFUYYMPGV-LLVKDONJSA-N 270.329 0.856 0 50 CCAA O=C(c1ccon1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1529095935 ZJYOHRHYKZZXAO-YPMHNXCESA-N 273.292 0.745 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ncoc3C)C[C@H]2O)n[nH]1 1529180657 HFNOJIAKIBBURV-ZYHUDNBSSA-N 290.323 0.690 0 50 CCAA CCC[C@H]1COC[C@H]2CN(c3nc(C)nn3C)CCN12 1875241440 WPVLBOSKFLXUQU-QWHCGFSZSA-N 279.388 0.813 0 50 CCAA C[C@@H]1CN(C(=O)NCC2(C)CCC2)C[C@@H](C(N)=O)O1 122799973 CYBFTIRZGHGUBW-ZJUUUORDSA-N 269.345 0.461 0 50 CCAA COCCO[C@@H]1CCCN(C(=O)c2csnn2)C1 330395275 MSTRLSDFKFYFFL-SECBINFHSA-N 271.342 0.806 0 50 CCAA CC(C)c1nnc(CNC(=O)c2ccnn2C)n1C 330752190 ZRABUVABYXHVRU-UHFFFAOYSA-N 262.317 0.602 0 50 CCAA Cc1nc(CN(C)C(=O)c2c[nH]cc(C)c2=O)no1 334032660 MFEMCTHZBDZEPH-UHFFFAOYSA-N 262.269 0.647 0 50 CCAA O=C(O)[C@H]1CCN(c2nccc(C(F)(F)F)n2)C[C@H]1O 1704338682 XOAMJRAXHFRKCD-NKWVEPMBSA-N 291.229 0.767 0 50 CCAA CC[C@@H](C)NC(=O)CN1C[C@@H](N(C)C)C2(CCOCC2)C1 1615614663 IHXOKGRFLMBONR-ZIAGYGMSSA-N 297.443 0.944 0 50 CCAA CC(C)(CN1CCOCC1)CN1C[C@H]2CCN[C@H]2C1 1616166024 JOTQVWAGHYYPKP-KGLIPLIRSA-N 267.417 0.639 0 50 CCAA OCC1(CO)[C@@H]2CN(C[C@@H]3CCCN4CCCC[C@H]34)C[C@H]21 1772704844 UCXFNKUGVZKLGS-ZJIFWQFVSA-N 294.439 0.784 0 50 CCAA NC(=O)c1cc(C(=O)c2ccccc2O)c[nH]c1=O 17106042 VVMYGDKKMJHXML-UHFFFAOYSA-N 258.233 0.410 0 50 CCAA N=c1[nH]nc(N2CC(=O)N[C@@H](Cc3ccccc3)C2)s1 1857673921 OLBDABIYUYUNID-JTQLQIEISA-N 289.364 0.498 0 50 CCAA C[C@H]1CN2C[C@H](NC(=O)CCc3cccnc3)C[C@H]2CO1 1857691370 IEZHAUVKEWMLIJ-CFVMTHIKSA-N 289.379 0.992 0 50 CCAA Cc1cc(CN2CCN([C@H](C(=O)O)C3CC3)CC2)no1 635017003 QJTLTAKXTZOPIB-ZDUSSCGKSA-N 279.340 0.964 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H](C(N)=O)[C@@H](c2cnc[nH]2)C1 642881889 AVOVOFGSOJZINO-IUCAKERBSA-N 280.328 0.846 0 50 CCAA CCn1cc(NC(=O)[C@@H]2Cn3c(C)nnc3CN2C)cn1 644294138 LFCJGTLFEPSQAZ-NSHDSACASA-N 289.343 0.256 0 50 CCAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H]1CCCNC1)CC2 246538828 GJPVDTJKWPXDNM-BFHYXJOUSA-N 296.411 0.765 0 50 CCAA FC(F)(F)c1cc(NCc2nn[nH]n2)n2ncnc2n1 584906918 KBVJLNXKLJHLJL-UHFFFAOYSA-N 285.193 0.268 0 50 CCAA Cc1cccc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)c1 264732844 HXKPNCTWYGHQAI-CYBMUJFWSA-N 297.424 0.519 0 50 CCAA Cc1noc2ncn(C[C@H]3CCC4(COC4)O3)c(=O)c12 917909654 QQFXUIABSCIYMT-SECBINFHSA-N 277.280 0.641 0 50 CCAA Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C(=O)O)C1 901500260 PSDBVKSXUUOKMK-HBNTYKKESA-N 277.324 0.847 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCC[C@]12CCOC2 1124019229 BMRMCUUPZGOYOR-CQSZACIVSA-N 266.341 0.850 0 50 CCAA O=C(NCCc1cn[nH]c1)c1n[nH]cc1Br 1772439364 VSFIYMBCILJFHX-UHFFFAOYSA-N 284.117 0.868 0 50 CCAA Cc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)no1 225722305 JOKSNBLJCNUNLB-XFFJFQIUSA-N 264.237 0.576 0 50 CCAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1ccnn1 227867873 CZBFIBRXYQUSNI-VWYCJHECSA-N 278.312 0.522 0 50 CCAA CCN1CCN(CC(=O)NCc2ccco2)CC1 20608804 VRIWEUWEAOSFFA-UHFFFAOYSA-N 251.330 0.533 0 50 CCAA C[C@H](C(=O)O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 263567298 XJRINQWCYGMUGS-AXTSPUMRSA-N 253.298 0.781 0 50 CCAA Cn1cc([C@]2(C)CN(Cc3cn(C)nn3)CCO2)cn1 328667640 KXTRKCNPGCJGML-ZDUSSCGKSA-N 276.344 0.296 0 50 CCAA C[C@H]1C[C@H](C(=O)O)CN(C(=O)NCCn2cccn2)C1 399084847 UVKRVCKJFGUWCK-QWRGUYRKSA-N 280.328 0.635 0 50 CCAA O[C@@H]1CNC[C@H]1Nc1nnc(-c2ccccc2)s1 534668577 QQIOOCULQHEJCR-NXEZZACHSA-N 262.338 0.950 0 50 CCAA NC[C@@H]1CN(C(=O)Nc2ccccc2)[C@H]2CCN1C2 225302542 VCICQAZMWKVWCY-QWHCGFSZSA-N 260.341 0.936 0 50 CCAA NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 476286 BLWFAEMXLSZWLD-SNVBAGLBSA-N 270.310 0.452 0 50 CCAA Cc1nc(O)cc(CN2C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C2)O4)n1 2356169770 ZENNIFKVLRFZSO-OSFYFWSMSA-N 291.351 0.462 0 50 CCAA COC(=O)CCC(=O)N1CC[C@@H]2CC[C@H](C1)N2C 67603583 JPCXQRJAHCKBNR-WDEREUQCSA-N 254.330 0.635 0 50 CCAA O=C(NCCCO)C1CCN(Cc2ccncc2)CC1 350184610 ORLBQSCKZLSBGS-UHFFFAOYSA-N 277.368 0.792 0 50 CCAA C=CC(=O)NCCCN1C(=O)c2ccccc2C1=O 144966816 SVPHIWHMQVXPHU-UHFFFAOYSA-N 258.277 0.975 0 50 CCAA O=C(CO)NC[C@H]1CCCN(CCC(F)(F)F)C1 67974219 QHKYDDOSPKWFDM-SECBINFHSA-N 268.279 0.759 0 50 CCAA CC(=O)c1cccc(C(=O)NC[C@H]2CN(C)C(=O)CO2)c1 219646087 ZJJSVZPUKRKYRX-ZDUSSCGKSA-N 290.319 0.476 0 50 CCAA C[C@@H](C(=O)N1CCOCC1)N1CCC[C@H]1Cn1cccn1 253375061 OLAMECBLWRKBRT-KBPBESRZSA-N 292.383 0.595 0 50 CCAA OCc1cn([C@H]2CCCN(CC[C@@H]3CCCO3)C2)nn1 328795974 UKAXBDAAEHPZCU-KBPBESRZSA-N 280.372 0.976 0 50 CCAA COC(=O)c1cnc(NN(C)C(=O)OC)c([N+](=O)[O-])c1 253429723 OOHFYGHLXYKYOD-UHFFFAOYSA-N 284.228 0.802 0 50 CCAA Cc1ncsc1CCN(C)C[C@@]1(O)CCNC1 77298167 XIJJFLBCXHGKKD-GFCCVEGCSA-N 255.387 0.650 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@H](C)C(=O)O 331122121 MPWGJFZWQPTNET-IONNQARKSA-N 274.342 0.087 0 50 CCAA CS(=O)(=O)CC1(CC(=O)N2CCC[C@H]2C(=O)O)CC1 262925003 WFNYHSIKWORUTA-VIFPVBQESA-N 289.353 0.277 0 50 CCAA CCC(CC)n1nccc1C(=O)NCCc1nc(=O)o[nH]1 447638002 UWIBYQRPQCTHKD-UHFFFAOYSA-N 293.327 0.893 0 50 CCAA CC1(C)C[C@@H]1C(=O)N1CCc2c([nH]n(CCO)c2=O)C1 215110801 AQYGWYWVAJNPRS-SNVBAGLBSA-N 279.340 0.100 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1O)c1cn2cc(Cl)ccc2n1 223132911 YAMQGWQKKNILQA-MWLCHTKSSA-N 295.726 0.867 0 50 CCAA Nc1cc(C(=O)NCc2cc3n(n2)CCCNC3)ccn1 82166345 NZAGRRSSXIWIPH-UHFFFAOYSA-N 286.339 0.284 0 50 CCAA CCCn1nccc1-c1cc(N2CCOCC2)nc(N)n1 426691183 LWLVMZMZMGKOTK-UHFFFAOYSA-N 288.355 1.169 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2ccncc2)[C@@H]2CCO[C@@H]21 222687991 IOMXYRGHFLQTNZ-CYDGBPFRSA-N 262.309 0.861 0 50 CCAA Cc1cc(C)c(C(=O)N2CC(N3CCOCC3)C2)c(=O)[nH]1 223332896 HOFRUVVVKREUAG-UHFFFAOYSA-N 291.351 0.148 0 50 CCAA N[C@@H]1CN(C2CCN(C3CCCC3)CC2)C[C@H]1O 426381465 OIQPCJBONKCMGD-ZIAGYGMSSA-N 253.390 0.397 0 50 CCAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccccn1 223919941 VPNCVOZBNACUEN-MNOVXSKESA-N 280.280 0.070 0 50 CCAA C[C@@H](Cc1cccs1)NC(=O)Cc1nc(O)n[nH]1 426634173 KTZRHNMWMFKYBZ-ZETCQYMHSA-N 266.326 0.862 0 50 CCAA O=C(NC[C@H]1CCNCC1(F)F)c1cn2c(n1)CCC2 335662846 NGXVUTZTEWENCS-SECBINFHSA-N 284.310 0.804 0 50 CCAA Cc1cc(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n(C)n1 92077880 FCCWUFOQWOORON-SNVBAGLBSA-N 276.340 0.356 0 50 CCAA C[C@@H](c1cccnc1)N(C)Cc1[nH]c(=O)[nH]c1C(=O)O 97288904 DJDQYZWLTKNXSJ-QMMMGPOBSA-N 276.296 0.989 0 50 CCAA CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cc(C)[nH]c(=O)n1 183593992 ZMFPBSURHJACSD-JTQLQIEISA-N 280.328 0.568 0 50 CCAA O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccc(F)cc1F 625593426 AJRRDMDGFBZLDQ-UWVGGRQHSA-N 293.291 0.393 0 50 CCAA CC[C@@H](NC(=O)Cc1nonc1C)[C@H]1C[C@H](O)C1 252539667 OHFDFKIYXKHRAY-OPRDCNLKSA-N 253.302 0.586 0 50 CCAA CCOc1ccc(C(=O)N2CCO[C@@H](CC(=O)O)C2)cn1 299752389 TZESXGLXENXFLO-NSHDSACASA-N 294.307 0.796 0 50 CCAA C[C@H](OCC1CC1)C(=O)N1CCO[C@H](CC(=O)O)C1 299748242 GOLJMZOKYYFGDA-GXSJLCMTSA-N 271.313 0.504 0 50 CCAA CC(=O)N1CCO[C@H](CNC2CSCCSC2)C1 534671720 GCSFUVOWPVMIPC-GFCCVEGCSA-N 290.454 0.672 0 50 CCAA CN(C)[C@H]1CN(C(=O)CN2CCCCCCC2)C[C@@H]1O 584890919 KUFMXFWEXQXBTF-KBPBESRZSA-N 283.416 0.386 0 50 CCAA CC(=O)N1CCC[C@H](Nc2nccnc2N(C)C)C1 820569313 BKDRBNAIYSXDFU-NSHDSACASA-N 263.345 0.965 0 50 CCAA O=C(CCCn1cnnn1)NCc1ccc2nc[nH]c2c1 670464131 DHLUBXGPSAKVGL-UHFFFAOYSA-N 285.311 0.646 0 50 CCAA N[C@H]1CN(C(=O)NCc2cccnc2O)CC12CCC2 1553519571 RDJHAPUMWUKUQM-NSHDSACASA-N 276.340 0.810 0 50 CCAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N(C)Cc1cnn2c1CNCC2 952890471 UZMGJDGNOFOHHC-WDMOLILDSA-N 292.383 0.758 0 50 CCAA CN(Cc1nnc(O)o1)C(=O)c1cnc2c(c1)CCC2 1875293780 BXZUAYIQJPAGRU-UHFFFAOYSA-N 274.280 0.931 0 50 CCAA COc1ccc(F)c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1 1875288058 MBNDDDZDFLCGCT-WCBMZHEXSA-N 265.288 0.944 0 50 CCAA COC1CN(C(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)C1 1875314446 YAOWZAREFCIPLT-BDAKNGLRSA-N 279.340 0.913 0 50 CCAA O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)[C@@H]1C[C@@H]2CC[C@H]1O2 1875302309 KBZCOVDJHLPSCZ-GMSHHKNDSA-N 251.282 0.533 0 50 CCAA COC(=O)c1cccc(C(=O)N[C@H]2CCC(=O)NC2=O)c1 269401150 CHPHBHVBUQZBOS-JTQLQIEISA-N 290.275 0.008 0 50 CCAA C[C@@H]1CC[C@@H](CS(=O)(=O)N(C)CC(=O)N(C)C)C1 1775989958 HLDXMVADDNSKKN-GHMZBOCLSA-N 276.402 0.772 0 50 CCAA O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1nnc(O)nc1O 1362270488 WZEQKLYQFNDGOH-OUAUKWLOSA-N 298.302 0.741 0 50 CCAA COC[C@H]1CN(c2cc(C)cc3ncnn23)CCO1 408513005 WUOFKFLLTYZEOX-LLVKDONJSA-N 262.313 0.889 0 50 CCAA Cc1cccc(NC(=O)NCCCn2cnnc2O)n1 585141826 ZASJRSIKLRBARY-UHFFFAOYSA-N 276.300 0.899 0 50 CCAA CN(C)C(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)O 548196541 OAHHUQOZEOYISD-JTQLQIEISA-N 276.296 0.830 0 50 CCAA Cc1cc(NC(=O)N2CCC[C@H](CC(N)=O)C2)nn1C 170599676 YCNCFUUUQNGFPE-SNVBAGLBSA-N 279.344 0.848 0 50 CCAA NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)O)nc1 676370871 QTNLGOUBMSNYCS-ZJUUUORDSA-N 291.307 0.554 0 50 CCAA Cc1cc(CN2CCC[C@](O)(c3cnn[nH]3)C2)no1 794042123 HJDJUFRHBKMZTK-GFCCVEGCSA-N 263.301 0.585 0 50 CCAA COCCc1noc(CN(C)c2nccnc2OC)n1 1506424521 CSMXWOIIABMVNX-UHFFFAOYSA-N 279.300 0.694 0 50 CCAA CC1=C(C(=O)NCc2noc([C@H]3CCCO3)n2)OCCO1 1506402336 XBVMIFSWVMWNFQ-SECBINFHSA-N 295.295 0.816 0 50 CCAA COc1nc(C)ccc1C(=O)NC[C@@]1(O)CCOC1 330709145 NWOPDGXABRIFCH-ZDUSSCGKSA-N 266.297 0.280 0 50 CCAA O=C(O)C[C@H](NC(=O)c1ncsc1C1CC1)C(=O)O 1875288671 VEINGKLFXQOLDM-LURJTMIESA-N 284.293 0.678 0 50 CCAA CCc1ncnc(N2CCN3CCOC[C@]3(CO)C2)c1F 1616034549 NXMRXAGOYMJFSO-CQSZACIVSA-N 296.346 0.061 0 50 CCAA CN1CC[C@@H]2CN(c3ncnc4[nH]ccc34)C[C@@H]2C1=O 1772818225 AOEBJOWKDATBGJ-KOLCDFICSA-N 271.324 0.872 0 50 CCAA CC[C@H](C(=O)N1CC2(CNC(=O)N2C)C1)n1cccn1 1857677546 HLEHGMFRQDXOID-SNVBAGLBSA-N 277.328 0.070 0 50 CCAA C[C@@H]1CCN[C@H](C(=O)Nc2cc(C(N)=O)n(C)c2)C1 335627384 QQBDWNIAQZYYRV-SCZZXKLOSA-N 264.329 0.451 0 50 CCAA CN(Cc1ncc[nH]1)C(=O)[C@H]1CCc2cncn2C1 569579595 OQOHLFANHXNRBJ-JTQLQIEISA-N 259.313 0.827 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)[C@@H](O)c1ccccc1 129424025 OSIWWWGJFRWLMR-AAEUAGOBSA-N 279.292 0.422 0 50 CCAA COc1ccnc(N2CCN([C@H](C)C(=O)O)CC2)c1 237358721 ASYWZTISVMYWNV-SNVBAGLBSA-N 265.313 0.685 0 50 CCAA CCN1CC[C@@H](Nc2ccc(C(=O)OC)nn2)C1=O 253392978 LRAGMRMIUMAIJQ-MRVPVSSYSA-N 264.285 0.296 0 50 CCAA CCN(Cc1noc(C)n1)[C@H]1CCS(=O)(=O)C1 170834726 GAHOZSCIQFDXQD-VIFPVBQESA-N 259.331 0.387 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1 252403 QJZWULZIKSCIRO-UHFFFAOYSA-N 282.365 0.794 0 50 CCAA CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2390933 HLCTYBOTPCIHTG-QMMMGPOBSA-N 292.357 0.791 0 50 CCAA COc1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)cc1 2861871 LZRQFUIADQOSIF-VIFPVBQESA-N 263.253 0.232 0 50 CCAA Cc1cc(C)n2[nH]c(=NC(=O)Cc3cn(C)nc3C)cc2n1 2356161273 NNBNWFZAGLZMLK-UHFFFAOYSA-N 298.350 0.991 0 50 CCAA CN1CC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 6617531 FYUYRAQLYVNNRC-UHFFFAOYSA-N 293.298 0.378 0 50 CCAA COC[C@H](C)NC(=O)c1cccc(NS(C)(=O)=O)c1 10314642 JCQQSGZCWWHTHJ-VIFPVBQESA-N 286.353 0.823 0 50 CCAA C[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1ccccc1 22606420 DHLFZJGLWQCRPZ-SNVBAGLBSA-N 270.354 0.755 0 50 CCAA C[C@H](Cc1ccccn1)N(C)C(=O)CN1CC(=O)NC1=O 20516011 BVGIXGHCBGNJDI-SNVBAGLBSA-N 290.323 0.023 0 50 CCAA COc1cc(CN2CC[C@](N)(C(=O)O)C2)cc2c1OCO2 67490927 AMEAQXOWPDKLFO-CQSZACIVSA-N 294.307 0.412 0 50 CCAA CCC[C@]1(CO)CCCN1C(=O)[C@@H](C)n1cncn1 331284616 FXOAFYFRABDSQP-DGCLKSJQSA-N 266.345 0.993 0 50 CCAA Cc1cc(OC[C@@H](O)CNS(=O)(=O)O)ccc1Cl 22589983 CLTJFSJHHXJQKZ-QMMMGPOBSA-N 295.744 0.781 0 50 CCAA C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)[C@@H]2CCOC2)C1 353099073 UQRRFUCLRZVNMY-JHJVBQTASA-N 290.429 0.815 0 50 CCAA O=C1C[C@H]2CC[C@@H](CN1)N2Cc1cccc(OCCO)c1 65380744 NFRONLZJPQRCLV-KGLIPLIRSA-N 290.363 0.911 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N=c2cc[nH]c3ccncc23)N(C)C1 331891008 DSDAUGWBGMIAOR-HZMBPMFUSA-N 286.335 0.709 0 50 CCAA CNCC(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1 72164521 NJUSDODIRQSHLQ-GFCCVEGCSA-N 275.352 0.396 0 50 CCAA Cc1ccc(C(=O)NCCN2CCC[C@H](CO)C2)n1C 215167503 ZJIBQDLDDOMKBE-ZDUSSCGKSA-N 279.384 0.768 0 50 CCAA Cc1nc(C)c(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)O)o1 219964178 XVZTWSZYXKAFKZ-NXEZZACHSA-N 298.295 0.280 0 50 CCAA CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C(=O)O)nc2)C1 330407554 OZCOROWGITZOTF-LLVKDONJSA-N 291.307 0.521 0 50 CCAA COCC[C@H]1COCCN1C(=O)c1cc(=O)c(OC)co1 330901826 BHYBQJMOGJTFKH-JTQLQIEISA-N 297.307 0.526 0 50 CCAA O=C(CCc1nc(-c2ccccc2)no1)N1C[C@@H](O)CO1 77538009 HWIZHLBBBGWYPE-LLVKDONJSA-N 289.291 0.804 0 50 CCAA O=C(N[C@@H]1[C@H]2COC[C@H]21)N1CC[C@@H]([C@H]2CCOC2)C1 332939088 GIESEZAUXHNFBA-FHUSYTEZSA-N 266.341 0.699 0 50 CCAA O=C(CC[C@@H]1CCNC1)NCCC(=O)Nc1cccnc1 261730319 FUYGHKFWKZVODE-GFCCVEGCSA-N 290.367 0.916 0 50 CCAA CCN(CC)S(=O)(=O)CC(=O)N[C@@H](C)CCC(=O)O 262173971 QYRJDFFMCKTIIF-VIFPVBQESA-N 294.373 0.028 0 50 CCAA C[S@](=O)C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccccc1 262397884 LRPIEWJRSWYYFB-SWDFKHAISA-N 295.360 0.943 0 50 CCAA Cc1c[nH]c(CN2CCC[C@@](O)(CO)C2)c(C)c1=O 72173868 RDISMEASPDQXPG-AWEZNQCLSA-N 266.341 0.311 0 50 CCAA Cc1nn(C)c(C)c1CNS(=O)(=O)c1cnn(C)c1 173982595 CHRZNJFBQQSPJT-UHFFFAOYSA-N 283.357 0.249 0 50 CCAA CCOC[C@H](O)CNc1cc(C)nc2ccnn12 72434342 BYIBQUXIIGMZAT-SNVBAGLBSA-N 250.302 0.847 0 50 CCAA CCCc1cc(C(=O)NCC(=O)N2CCCC2)[nH]n1 44218715 QSHBUHIPUICQDM-UHFFFAOYSA-N 264.329 0.714 0 50 CCAA CN1CCN(c2ccc(C=O)cc2S(C)(=O)=O)CC1 42684453 IPTSXJWLSBUEPX-UHFFFAOYSA-N 282.365 0.654 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)NCCCc1csc(N)n1 223800322 ZQTGJKIWYQEJNH-VIFPVBQESA-N 294.384 0.702 0 50 CCAA CN(CC(F)(F)F)C(=O)NCCc1nncn1C 426578576 KOHLMKLMIFHSCH-UHFFFAOYSA-N 265.239 0.561 0 50 CCAA Cn1cnnc1CSc1nnc(C2CCNCC2)n1C 426383165 VNFQTKYVWZSMLX-UHFFFAOYSA-N 293.400 0.703 0 50 CCAA CCc1noc(CCNC(=O)[C@@H](C)n2cccn2)n1 426602464 LDHZVFMMTFYJBP-SECBINFHSA-N 263.301 0.748 0 50 CCAA Cc1ncc(C(=O)NCCCn2ccccc2=O)[nH]1 426593686 KHMSZOMGBGYSCP-UHFFFAOYSA-N 260.297 0.700 0 50 CCAA COC(=O)NCC(=O)N1CCC[C@@H](Cn2ccnc2)C1 91665121 CUCJYHJUADPQSE-NSHDSACASA-N 280.328 0.478 0 50 CCAA Cc1ccnn1CCC(=O)N1C[C@H](CO)[C@H](CN(C)C)C1 91518824 ITTWOTBKOCDRSN-ZIAGYGMSSA-N 294.399 0.210 0 50 CCAA O=C1CCC2(CCNCC2)CN1CCCn1ccnn1 91695626 SOSWIPOFBNZGNC-UHFFFAOYSA-N 277.372 0.660 0 50 CCAA COCCN1C[C@@H](C(=O)N(C)CCN2CCCC2)CC1=O 343495729 STQCYPMOAPMTFA-ZDUSSCGKSA-N 297.399 0.036 0 50 CCAA CC1(C)COCCN1CCNc1ccc2nncn2n1 297196436 RCRVWWGAGBNBAU-UHFFFAOYSA-N 276.344 0.647 0 50 CCAA CC[C@@H]1CN(c2cncc(C(=O)N(C)C)n2)CCO1 342216472 DBCIURIFTPMDGZ-SNVBAGLBSA-N 264.329 0.794 0 50 CCAA COCc1noc(CNC(=O)CCCc2cn[nH]c2)n1 534652442 AZZBJRJBJJCNEE-UHFFFAOYSA-N 279.300 0.578 0 50 CCAA O=C(NCC[C@@H]1CCOC1)c1cccc2nnnn12 534648693 MZHOZVAATBOMTQ-SECBINFHSA-N 261.285 0.281 0 50 CCAA Cc1cnn([C@H](C)CNS(=O)(=O)N2CCCC2)c1 534655136 MDRQXEITKCTEIF-LLVKDONJSA-N 272.374 0.683 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CCc1ccncc1 828034755 SZZBGKVPQOVTNC-CHWSQXEVSA-N 273.336 0.951 0 50 CCAA N[C@@H](Cc1cnc[nH]1)C(=O)NCCOc1ccccc1F 828116133 QFNKBHVVGDXXHZ-LBPRGKRZSA-N 292.314 0.614 0 50 CCAA Cc1cc(CC(=O)N2CCN3C(=O)OC[C@@H]3C2)on1 497073608 RGRHTNSNKOERQS-VIFPVBQESA-N 265.269 0.189 0 50 CCAA CCCOC[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 584887655 LUVUWXXMDWJWSY-SNVBAGLBSA-N 254.330 0.527 0 50 CCAA O=C1CCc2c1cccc2C(=O)NCC[C@H](O)CO 584899325 HNIAITIGPWXHOY-VIFPVBQESA-N 263.293 0.289 0 50 CCAA Cc1cc(O)nc(CCNC(=O)c2nc(C)c[nH]2)n1 584893945 BOFNNNDQMBWILO-UHFFFAOYSA-N 261.285 0.495 0 50 CCAA C[C@H]1CN(c2nc(N(C)C)nc3c2CCCC3)CC(=O)N1 670452580 IVGCRYRLPKTHEQ-JTQLQIEISA-N 289.383 0.746 0 50 CCAA COc1cccc(C)c1C(=O)NCC[C@@H](O)CO 584901650 JTCIOCGBYZDXCG-SNVBAGLBSA-N 253.298 0.477 0 50 CCAA C[C@@H](O)[C@@H](O)CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 871125891 FHIRBARNFDQCQO-OQPBUACISA-N 293.298 0.687 0 50 CCAA C[C@@H]1C[C@@H]1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875332872 OPUGXKWEMKMLCL-QPRFAZIUSA-N 271.338 0.264 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCC(OC)OC)CC1 1875369167 XCQGGTARDFHMSU-UHFFFAOYSA-N 270.329 0.146 0 50 CCAA C[C@H](O)C(=O)N1CCC(CNC(=O)c2cncs2)CC1 952983178 OOIQADXHCFASEI-VIFPVBQESA-N 297.380 0.492 0 50 CCAA Cc1nc(CNCCCN2CCC[C@H](O)C2)n(C)c1C 952965571 DSFGSSBYZQBAQJ-AWEZNQCLSA-N 280.416 0.973 0 50 CCAA Cc1ccc(NC(=O)N[C@H]2CNCC[C@@H]2O)cc1F 1565514534 NQONPWUHUPVEIK-RYUDHWBXSA-N 267.304 0.978 0 50 CCAA CCn1ncnc1CN1CCC[C@@H](CC(N)=O)CC1 671507942 JWJLAJXIBRBLOG-LLVKDONJSA-N 265.361 0.776 0 50 CCAA CCn1cncc1S(=O)(=O)N1CC2CCC1(CN)CC2 584004266 FUAVUEBZYWQCIA-UHFFFAOYSA-N 298.412 0.795 0 50 CCAA COc1ccc(CN2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)cn1 643767204 MWTAKWBGCFEFMT-WCQYABFASA-N 289.339 0.823 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(C)[nH]n1 644060620 YVNHRJSULXKPCX-ZDUSSCGKSA-N 280.328 0.085 0 50 CCAA CCN(CC)C(=O)CCC(=O)N1CCOC[C@@]12CCOC2 194396129 LDEWCPXEEIFABG-HNNXBMFYSA-N 298.383 0.653 0 50 CCAA CCS(=O)(=O)NCC(=O)Nc1cc2cc[nH]c2cn1 655180338 ZMJOYTRAEBMZSI-UHFFFAOYSA-N 282.325 0.441 0 50 CCAA Cc1nnc(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)s1 573868217 XEKJXVLFAPLSOA-WPRPVWTQSA-N 280.353 0.634 0 50 CCAA Cc1ccncc1CN1CCC[C@@](O)(c2cnn[nH]2)C1 794008524 FYMCZUWBTCQPDP-AWEZNQCLSA-N 273.340 0.992 0 50 CCAA O=C(CCc1n[nH]c2c1CCCC2)N1C[C@@H](O)CO1 1506426933 JVCHPRZAVNSCIX-SECBINFHSA-N 265.313 0.356 0 50 CCAA CN(C(=O)[C@H]1COCCN1CC(F)F)[C@@H]1CCN=C1O 329577461 WBNWIDAVVWQHBP-RKDXNWHRSA-N 291.298 0.140 0 50 CCAA C[C@H](O)C(=O)N1CCN(CC[C@H]2CCCCN2C)CC1 346171486 RYSWHCOWNGJKKR-UONOGXRCSA-N 283.416 0.386 0 50 CCAA CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@H]1OC(C)=O 1317809 LLPWGHLVUPBSLP-IJLUTSLNSA-N 272.253 0.325 0 50 CCAA biogenic,in-vitro CCc1cc(C(=O)N2CCOC3(CNC3)C2)cc(O)n1 1615555714 DDLBVELQOVFABD-UHFFFAOYSA-N 277.324 0.164 0 50 CCAA O=C(CCO)N1CCCN(C(=O)Cc2ccsc2)CC1 1772712311 OFWLRNYGPBUOJN-UHFFFAOYSA-N 296.392 0.734 0 50 CCAA O=C(O)CCCNC(=O)[C@H]1COc2ccccc2O1 19387694 CTVKIJRGICUVJM-LLVKDONJSA-N 265.265 0.807 0 50 CCAA COCCN1C[C@H](C(=O)N(C)CC2CCOCC2)CC1=O 162585431 DSFOTINZVJRELX-CYBMUJFWSA-N 298.383 0.366 0 50 CCAA O=C1NCCC[C@]12CN(C1CCCC1)CC[C@@H]2O 1857705116 SXIKKLXAKUCGCV-GXTWGEPZSA-N 252.358 0.892 0 50 CCAA Cc1cc(C)nc(CN(C)C(=O)[C@@H]2CNCCOC2)c1 1857705293 BDKWZJIHBWBEBW-CYBMUJFWSA-N 277.368 0.893 0 50 CCAA CCc1nn(C)c(Cl)c1CN1C[C@@H]2C[C@H]1C(=O)N2 1857676725 RKORBHCFFPTMAH-XVKPBYJWSA-N 268.748 0.709 0 50 CCAA CNC(=O)NCC(=O)N1CCC[C@H](c2nc(C)no2)C1 408013765 OLPQJTUFYSYCET-VIFPVBQESA-N 281.316 0.013 0 50 CCAA O=C(c1cncc(F)c1)N1CCO[C@H](Cn2ccnn2)C1 636218097 RHNFGRAOCFGKMI-LBPRGKRZSA-N 291.286 0.353 0 50 CCAA C[C@H]1CN(C(=O)NCc2nnnn2CC2CC2)CCCO1 548432315 TXPFJDCAVMILMG-JTQLQIEISA-N 294.359 0.404 0 50 CCAA O=C1[C@@H](NC(=O)C2(C(=O)O)CC2)CCN1c1ccccc1 154879911 WQHVDCOGLFFCTQ-NSHDSACASA-N 288.303 0.773 0 50 CCAA COc1nn(C)cc1NC(=O)NCCN1CCO[C@H](C)C1 931052799 IOXNVZWRKYHWDJ-SNVBAGLBSA-N 297.359 0.271 0 50 CCAA CN(CCCO)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 852013539 UXQTVSAUDHSFQJ-LBPRGKRZSA-N 288.388 0.937 0 50 CCAA CC(C)C(=O)NCCNc1cc(-n2cccn2)ncn1 67613733 CRPLYJIDTMCBCF-UHFFFAOYSA-N 274.328 0.846 0 50 CCAA Nc1c(C(=O)N2CC[C@](O)(CO)C2)sc2cccnc12 313808080 GTSGLIJEINQMDO-CYBMUJFWSA-N 293.348 0.448 0 50 CCAA COCC1(C(=O)NCc2csc(N)n2)CCC1 584891856 UVGDSMGIGRUAEZ-UHFFFAOYSA-N 255.343 1.158 0 50 CCAA CC(C)(O)CN1CCC([C@]2(C)NC(=O)NC2=O)CC1 374109968 XSZJPVYGKFKZRK-ZDUSSCGKSA-N 269.345 0.067 0 50 CCAA Nc1nc(CNS(=O)(=O)N2CCCCCC2)cs1 827597706 FCJALFWTJRSJJD-UHFFFAOYSA-N 290.414 0.936 0 50 CCAA CCc1ccc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2O)s1 1565513349 LRGJLKUUAAPELZ-ZJUUUORDSA-N 290.410 0.312 0 50 CCAA COCCN1CC[C@@H](CN=c2nc3ncn(C)c3c[nH]2)C1 2100534369 FNLQHUZEKIJMNA-NSHDSACASA-N 290.371 0.165 0 50 CCAA C[C@@H](C(N)=O)N1CCN(Cc2cccc(C(=O)O)c2)CC1 2325792047 YCYASDGOXOSJTJ-NSHDSACASA-N 291.351 0.376 0 50 CCAA Cc1ccc(NCCCNC(=O)CN2CCOCC2)nc1 119000740 FEATZVZTENWZRQ-UHFFFAOYSA-N 292.383 0.640 0 50 CCAA Cc1cnc(C(=O)NC[C@@]2(O)CCO[C@@H]2C)cn1 228678954 YKQITOBNUJPIOD-SKDRFNHKSA-N 251.286 0.055 0 50 CCAA COc1ccnc(CN2CCC[C@H](S(N)(=O)=O)C2)c1 330868264 YMLZVMLCNFNKAH-LBPRGKRZSA-N 285.369 0.343 0 50 CCAA CN(C[C@H](O)CN1C(=O)CC2(CCCC2)C1=O)C1CC1 329742825 WUYWTSAKWASCOD-LBPRGKRZSA-N 280.368 0.761 0 50 CCAA Cc1ccccc1-c1noc(CN[C@H](C(N)=O)[C@@H](C)O)n1 65380226 NAVDRWFUIZKEIB-SKDRFNHKSA-N 290.323 0.369 0 50 CCAA CS(=O)(=O)CCN1CC[C@@]2(O)CCCC[C@H]2C1 252475988 VUFGRMWWMINXSC-RYUDHWBXSA-N 261.387 0.658 0 50 CCAA CCC[C@H]1COCCN1C(=O)CSc1n[nH]c(N)n1 67692759 XBTVZOGXIOWGIO-QMMMGPOBSA-N 285.373 0.507 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccc2nc[nH]c2n1 282253836 SSLHJRMTERUPPG-HTQZYQBOSA-N 273.296 0.355 0 50 CCAA OCC1(O)CCN(Cc2cccc3nonc23)CC1 67640963 LMCKMKQTWDZQRC-UHFFFAOYSA-N 263.297 0.542 0 50 CCAA O=C(NCCCn1ccnn1)[C@H]1CCC[C@@H](O)C1 219401305 QDLHKHLALJRDSB-WDEREUQCSA-N 252.318 0.336 0 50 CCAA C[C@H](Sc1nnc(CN)n1C)C(=O)N1CCCC1 71373700 KLMGDLCADGPERN-QMMMGPOBSA-N 269.374 0.377 0 50 CCAA NC(=O)c1noc([C@H]2CCCN2Cc2ccncc2)n1 328639876 PTKIXZCPDCHTEQ-SNVBAGLBSA-N 273.296 0.901 0 50 CCAA COCc1ncsc1C(=O)N1CCNC(=O)C1(C)C 283296620 CTZAKHXKUVACMO-UHFFFAOYSA-N 283.353 0.640 0 50 CCAA Cc1cncc(CCC(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 330497189 ZAQJGDCZILKYPB-GFCCVEGCSA-N 297.380 0.212 0 50 CCAA Cn1cc(NC(=O)[C@H]2C[C@@H]3CCCCN3C2)cc1C(N)=O 364090506 NTKVKKSGUPEKJB-JQWIXIFHSA-N 290.367 0.937 0 50 CCAA O=C1CCC(C(=O)NCc2n[nH]c3c2CCCCC3)=NN1 215659143 PKFLROVPLQOKJC-UHFFFAOYSA-N 289.339 0.561 0 50 CCAA CC[C@H](CNS(C)(=O)=O)N[C@@H]1CCNCC[C@H]1C 331843870 GXBDBNMZBRFNSX-IJLUTSLNSA-N 277.434 0.292 0 50 CCAA CCn1ncnc1CN1C[C@H](O)[C@@H](N2CCCCC2)C1 214958689 RGMPZYDIFSDKSH-STQMWFEESA-N 279.388 0.329 0 50 CCAA O=C(CCc1cccnc1)NCCN1CCNC1=O 221284713 CNYWEHRYLPSYNN-UHFFFAOYSA-N 262.313 0.156 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)c2cc(-n3cccn3)ccn2)C1 178269137 CXGYKJNEVILELQ-JTQLQIEISA-N 286.291 0.814 0 50 CCAA CCN1CCC[C@@](C)(C(=O)NCCCc2nn[nH]n2)C1 426507810 BBRQNTFOCDRINA-CYBMUJFWSA-N 280.376 0.371 0 50 CCAA O=C(O)[C@H]1[C@@H]2C(=O)N3c4ccccc4CO[C@H]3[C@@]23C=C[C@H]1O3 195435980 JAKDDXGVWGWOEV-ASUKHRCTSA-N 299.282 0.914 0 50 CCAA CCOc1ncccc1-c1nnc(C(=O)N(C)C)[nH]1 426649581 IVBXEAMPVINEPL-UHFFFAOYSA-N 261.285 0.967 0 50 CCAA C[C@@H]1CN(c2ccc(C(N)=O)cn2)C[C@@H](C)S1(=O)=O 290913726 WOLPEQJHEZBKRP-RKDXNWHRSA-N 283.353 0.192 0 50 CCAA CN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCNC3)cc2C1=O 179085785 LGXGTQGSGGYPCW-SNVBAGLBSA-N 287.319 0.346 0 50 CCAA CC(=O)N1CCN(Cc2ccc(CCN)cc2)C[C@@H](O)C1 91595573 WOBHSBQYBVNWRY-MRXNPFEDSA-N 291.395 0.213 0 50 CCAA Cc1cc(C)n(CC(=O)N2CC[C@](C)(O)[C@H](C)C2)c(=O)n1 91707760 ZMRNWTOQEZUHPR-BMIGLBTASA-N 293.367 0.480 0 50 CCAA Cn1cc(CCCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cn1 91452254 UJLVGWCMNFTHCE-GFCCVEGCSA-N 290.367 0.480 0 50 CCAA Cc1ccc(CCNC(=O)CN2CC[C@H](N(C)C)C2)o1 244723818 MHUYWWNPHFZKGM-ZDUSSCGKSA-N 279.384 0.883 0 50 CCAA C[C@@H](CS(C)(=O)=O)NCc1cccc(N2CCC2=O)c1 252509526 YPBSHLLFMRPWLL-NSHDSACASA-N 296.392 0.946 0 50 CCAA CCCc1ncncc1C(=O)NCCc1nc(N)n[nH]1 534639368 NOBIDRBCNKLSHE-UHFFFAOYSA-N 275.316 0.102 0 50 CCAA CCn1nnc(=NC(=O)c2ccc3c(c2)CCCO3)[nH]1 1940196082 IVRFHCAQKIPCEX-UHFFFAOYSA-N 273.296 0.692 0 50 CCAA CCC(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C 299798292 RWEDBOLIFXKOBQ-LBPRGKRZSA-N 265.361 0.647 0 50 CCAA Cc1nc([C@@H]2CCCN(C(=O)c3cnc(O)[nH]3)C2)no1 584897959 JMVOMVDMWWVWHS-MRVPVSSYSA-N 277.284 0.827 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)c2cn[nH]c2)C1 584893909 VVRLWVNCISBSMI-SNVBAGLBSA-N 252.318 0.060 0 50 CCAA COc1ccnc(C(=O)NC2CCS(=O)(=O)CC2)c1 584902154 SJPJGEHEUOKTTD-UHFFFAOYSA-N 284.337 0.397 0 50 CCAA CCN1CCCC[C@@H]1C(=O)NCc1nc(COC)no1 670457645 GQOCPLVCGGTQBP-SNVBAGLBSA-N 282.344 0.707 0 50 CCAA CS(=O)(=O)Nc1ccc([C@@H]2C[C@H](N)CCN2)cc1 757208860 DZTFKLTVCIFNKK-PWSUYJOCSA-N 269.370 0.810 0 50 CCAA COCCc1nsc(N2CCCn3[nH]c(=N)cc3C2)n1 1875286830 IOYGPYWIEPUXTE-UHFFFAOYSA-N 294.384 0.746 0 50 CCAA COC(=O)/C=C/CNC(=O)COc1cccc(C(N)=O)c1 1875333384 QTRMPPBDZHFJAD-ZZXKWVIFSA-N 292.291 0.010 0 50 CCAA Cn1nc(CC(=O)Nc2ccncn2)c2ccccc2c1=O 1875325782 CXPSDYGDDAWSCM-UHFFFAOYSA-N 295.302 0.905 0 50 CCAA CCn1ncc(CN[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)n1 1875400322 WUUHRIQIURMYKU-MRVWCRGKSA-N 290.371 0.424 0 50 CCAA CO[C@H]1CCCCN(CC(=O)Nc2cnc(C)nc2)C1=O 886074786 YUHZLEMZMWZCFC-LBPRGKRZSA-N 292.339 0.751 0 50 CCAA C[C@H]1CN(c2cc(N)ncn2)CC2(CCOCC2)O1 1337146615 WJKCXBVLZJQUJS-JTQLQIEISA-N 264.329 0.833 0 50 CCAA CCN1C[C@@H](NC(=O)Cc2nonc2C)C(C)(C)C1 977404161 BTTAFYMJYUNSNE-LLVKDONJSA-N 266.345 0.767 0 50 CCAA Cn1nccc1CC(=O)N1CCC(C)(CO)CC1 408439643 TVIZGFDYDIMAPF-UHFFFAOYSA-N 251.330 0.584 0 50 CCAA C[C@@H](O)CC(C)(C)CNC(=O)c1cccc(=O)n1C 270417914 MPTLOOBHVULRGD-SNVBAGLBSA-N 266.341 0.912 0 50 CCAA CC(C)(C)OC(=O)N1CCN2CCNC(=O)[C@@H]2C1 91304113 WBICUXWLVLRGDT-VIFPVBQESA-N 255.318 0.038 0 50 CCAA in-vitro COC(=O)[C@@]1(C)CCN(C(=O)c2ccnc3[nH]cnc23)C1 272147192 WOJQECKUHNJWDB-AWEZNQCLSA-N 288.307 0.983 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@H]1COCO1 585088063 JERZYJJIRJLJJC-VHSXEESVSA-N 286.328 0.485 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NC(C)(C)CN1CCOCC1 585114215 NMNCMRZSBMXSDR-UHFFFAOYSA-N 294.399 0.796 0 50 CCAA Cc1noc(C)c1CCC(=O)N1CCOC[C@H](O)C1 77407357 BEIJXMIIXKEUOC-LLVKDONJSA-N 268.313 0.444 0 50 CCAA Cc1nnc2n1C[C@@H](C(=O)N1CCCCCO1)N(C)C2 644440950 KWRHCDCCJNAINQ-NSHDSACASA-N 279.344 0.345 0 50 CCAA Cn1nnc2c(=O)n(C[C@H]3COc4ccccc4O3)cnc21 647136988 RVXBZZUUBZPOSY-VIFPVBQESA-N 299.290 0.365 0 50 CCAA CNCc1ccc(NC(=O)C2=NN3CCCN=C3N2)cc1 648146639 CEWCDIGAFJUAMY-UHFFFAOYSA-N 286.339 0.323 0 50 CCAA Cc1c(C(=O)O)sc2ncnc(N3CC(O)C3)c12 67955313 SJJNGGPYGPITEW-UHFFFAOYSA-N 265.294 0.879 0 50 CCAA O=C(c1cn[nH]c1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704336710 LBPHGDZIFVOTLV-DGCLKSJQSA-N 272.308 0.480 0 50 CCAA Cc1cc(N2CCN(c3cnccn3)CC2)ncn1 110128566 JLIBBAHBFJCKHZ-UHFFFAOYSA-N 256.313 0.902 0 50 CCAA CN(C)[C@H]1CN(C(=O)CCc2ccsc2)C[C@@H]1O 552439159 BHNZSTLITBKEBP-RYUDHWBXSA-N 268.382 0.814 0 50 CCAA C=CS(=O)(=O)CCN1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1615554654 YIPWDFMPOOJSDC-RWMBFGLXSA-N 289.397 0.813 0 50 CCAA COc1cc(O)ncc1C(=O)N1C[C@@H]2CCC[C@@]2(N)C1 1615554870 VWPFCKCGAFBNNB-LKFCYVNXSA-N 277.324 0.749 0 50 CCAA CS(=O)(=O)C1(C(=O)N[C@H]2COCc3ccccc32)CC1 1615547607 JVPGQHSWPGUAFD-LBPRGKRZSA-N 295.360 0.951 0 50 CCAA O=C(c1ccoc1)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1616126805 PVMQRMBTIYOWOF-AAEUAGOBSA-N 273.292 0.745 0 50 CCAA O=C1CO[C@@H]2CCN(c3ncnc4cc[nH]c34)C[C@@H]2N1 1772816675 SCWGMCOXTAEVCN-VHSXEESVSA-N 273.296 0.052 0 50 CCAA O=S(=O)(c1cccc2nsnc12)N1CCOCC1 206941 PCVLNFBUXFEXCR-UHFFFAOYSA-N 285.350 0.712 0 50 CCAA COCCN1C[C@@H](C(=O)NCCOC(C)C)CCC1=O 12437570 VKHSFMJVOAPSJV-LBPRGKRZSA-N 286.372 0.413 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCCn2cnc(C)c2C)CC[C@@H]1N 1857735914 JTZOEVVOSXZTHP-IHRRRGAJSA-N 294.399 0.759 0 50 CCAA NCCn1cc(C(=O)Nc2cccc3c2OCCC3)nn1 521273382 PVZAVPRSOLUTFZ-UHFFFAOYSA-N 287.323 0.814 0 50 CCAA COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ncc(C)o1 225455004 XTUSQCARZZWZPB-KOLCDFICSA-N 254.286 0.481 0 50 CCAA OCc1cn([C@@H]2CCCC[C@@H]2NCc2cc[nH]n2)nn1 328603475 GDEDCZJIIUCSSG-QWHCGFSZSA-N 276.344 0.767 0 50 CCAA COCCCOC1CN(C(=O)[C@H]2CCc3c[nH]nc3C2)C1 673953227 VHFAPSSOVYNGAJ-NSHDSACASA-N 293.367 0.779 0 50 CCAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cocn2)cn1 818602280 YCDQJUGATDLKAB-CMPLNLGQSA-N 292.295 0.467 0 50 CCAA O=C(Cc1cccc(F)c1F)N1CCOC[C@@H](CO)C1 77379087 LBRWAFVWFDMHHU-SNVBAGLBSA-N 285.290 0.975 0 50 CCAA Cn1nnnc1CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 337282061 JPBFKPRQVZAFSO-UTUOFQBUSA-N 265.361 0.726 0 50 CCAA Cc1cccc2nc(C(=O)N[C@H]3COCC[C@@H]3O)cn12 710954743 POGQJIXBGDKCIE-RYUDHWBXSA-N 275.308 0.522 0 50 CCAA CC(C)C[C@H](CN)CC(=O)OCCN1CCOCC1 585090043 BENSHROCEYFSDO-ZDUSSCGKSA-N 272.389 0.873 0 50 CCAA Cc1cc(O)c(COC(=O)[C@H]2CCCc3ncnn32)nn1 2325863006 QEJSUDZNZRLYHI-SNVBAGLBSA-N 289.295 0.703 0 50 CCAA C[C@H]1C(=O)N(NC(=O)c2ccnc(C3CC3)n2)C(=O)N1C 899033731 ZCFJDATXEREFCN-ZETCQYMHSA-N 289.295 0.281 0 50 CCAA COC(=O)c1cc(NC(=O)[C@H]2CCCN(C)C2=O)nn1C 913023715 GXXOYJNQJBESPG-MRVPVSSYSA-N 294.311 0.014 0 50 CCAA O=S(=O)(C[C@H]1CC2(CCC2)CO1)NCCc1cn[nH]c1 1475358768 UUKVCXZJDZKNFT-GFCCVEGCSA-N 299.396 0.831 0 50 CCAA O[C@H]1C[C@@H]2CN(Cc3ccn4ncnc4c3)C[C@@H]2C[C@@H]1O 2356166323 SVPDDZPKLUHMCV-CRWXNKLISA-N 288.351 0.293 0 50 CCAA c1cc2nnnn2nc1NCCCO[C@H]1CCCCO1 225534965 YGQAYRKFHSCSRN-LBPRGKRZSA-N 278.316 0.865 0 50 CCAA COc1cnc(NC(=O)NCCc2ccnn2C)cn1 225851176 MRHRODHDPUFYPQ-UHFFFAOYSA-N 276.300 0.583 0 50 CCAA CS(=O)(=O)Nc1ccc(-n2cc(CCO)cn2)cn1 65421956 BPWUOQQSGNNDHV-UHFFFAOYSA-N 282.325 0.174 0 50 CCAA Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)on1 138127897 JHLVLNBOABDTDD-UHFFFAOYSA-N 268.269 0.594 0 50 CCAA Nc1nc(Cl)cc(N2CCN(c3ncccn3)CC2)n1 24056278 DZCUCKNBPXARPE-UHFFFAOYSA-N 291.746 0.829 0 50 CCAA COCCN1C[C@@H](C(=O)Nc2scnc2C)CC1=O 351664059 DAECQWRVQGENAV-VIFPVBQESA-N 283.353 0.885 0 50 CCAA Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 120319 SEEPANYCNGTZFQ-UHFFFAOYSA-N 250.283 0.860 0 50 CCAA biogenic,fda COCCN1CCC[C@](O)(CNCc2ccoc2)C1=O 67842210 RTIWVNZOWFWWCM-AWEZNQCLSA-N 282.340 0.369 0 50 CCAA CN(C)C[C@H]1COCCN(c2ncnc3[nH]ccc23)C1 72169609 SLJARMUXAFGQNA-LLVKDONJSA-N 275.356 0.972 0 50 CCAA C[C@@H]1CNCCN1C(=O)[C@H]1Cc2cccc(F)c2O1 125291167 ANYDEZQHWONQBL-BXKDBHETSA-N 264.300 0.950 0 50 CCAA C[C@@H](NC(=O)CN1CCCc2occc2C1)C(=O)N(C)C 377487920 GGVVGRIUDGWPDE-LLVKDONJSA-N 293.367 0.621 0 50 CCAA Cc1nnc(CN2CC(=O)N(C3CC3)C2)n1C1CC1 333316962 OOYIIYSOIOYIEX-UHFFFAOYSA-N 261.329 0.686 0 50 CCAA Cc1noc(CCCC(=O)N2CCN[C@@H](C)C2)n1 237583425 PMMAQCNXEPIKSZ-VIFPVBQESA-N 252.318 0.521 0 50 CCAA CC(C)(C)C(=O)NCC(=O)N1CCC2(CC1)C[C@H]2C(=O)O 262383504 DERLKWOPOXLAFJ-JTQLQIEISA-N 296.367 0.862 0 50 CCAA NC[C@H]1CCCN1C(=O)c1cn(Cc2cccs2)nn1 238054036 WUJIGRLFWPGICY-SNVBAGLBSA-N 291.380 0.951 0 50 CCAA C[C@@H]1CN(CCn2cccn2)C[C@H]1C(=O)N1CCOCC1 284591856 ACIDDAUACPKZKC-ZIAGYGMSSA-N 292.383 0.310 0 50 CCAA Cc1c(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cnn1CC(C)C 286596183 AOBMDBDIGPHMPP-PWSUYJOCSA-N 296.346 0.885 0 50 CCAA Cc1nc(C)c(N2C(=O)[C@H]3COCCN3C2=O)s1 241171110 KEHXUKPBMYWXKV-MRVPVSSYSA-N 267.310 0.927 0 50 CCAA C[C@H]1C[C@H](NC(=O)c2csnn2)CN1C1CC1 177037396 COEPEMVOHRSGNS-YUMQZZPRSA-N 252.343 0.893 0 50 CCAA Cc1nonc1CC(=O)NCCc1nc(C(=O)O)cs1 426594868 MTOXDPADCKLBSI-UHFFFAOYSA-N 296.308 0.434 0 50 CCAA O=C(c1cnc[nH]1)N1CCN(C2CCOCC2)CC1 82991729 QCHZFBNOYHQOIA-UHFFFAOYSA-N 264.329 0.347 0 50 CCAA COc1ncc(C(=O)NCCn2nc(C)cc2C)cn1 426550070 QVLCBKALQCPQOA-UHFFFAOYSA-N 275.312 0.729 0 50 CCAA Cn1cccc1C(=O)C(=O)NC[C@]1(C)CCCO1 220496699 QKMZSTAQCAUEIV-ZDUSSCGKSA-N 250.298 0.893 0 50 CCAA Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H](CO)N(C)C2)c1Cl 426613495 AAINVLDUUJCPHG-BDAKNGLRSA-N 286.763 0.177 0 50 CCAA Cc1nc(C)c(CC(=O)N2CC[C@@](C)(O)[C@@H](O)C2)s1 96133427 YUHYKNHZHCKEBK-WCQYABFASA-N 284.381 0.647 0 50 CCAA CCc1nc(-c2c3n(c(=O)[nH]c2=O)CCCCC3)no1 232313859 QVVHVUJFHKFIPE-UHFFFAOYSA-N 276.296 0.875 0 50 CCAA CN(CCN(C)C1CCCC1)CCn1cc[nH]c1=O 244723523 MDDRNHIXIGPNRW-UHFFFAOYSA-N 266.389 0.983 0 50 CCAA C[C@H]1CCCCN1C1CN(CCn2cc[nH]c2=O)C1 244734733 NKYBMAHITGKKAI-LBPRGKRZSA-N 264.373 0.735 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)N(C)Cc2n[nH]c(=O)[nH]2)n1 244900104 ZWCLFEUDHCMPJX-SECBINFHSA-N 278.316 0.131 0 50 CCAA Cc1nn(C)c(C)c1CCNC(=O)Cn1ccnc1C 622303420 KZHCZGHOHXPUKU-UHFFFAOYSA-N 275.356 0.901 0 50 CCAA CCc1n[nH]c([C@H]2CN([C@H]3CCOC3=O)CCO2)n1 299754212 TTWGZMHKVSUPBG-DTWKUNHWSA-N 266.301 0.056 0 50 CCAA C[C@H](c1ccncn1)N(C)CCc1cnc(O)n(C)c1=O 253536227 BRBJMMBAPQBSEZ-SNVBAGLBSA-N 289.339 0.511 0 50 CCAA Cc1nc(CC(=O)NCCc2n[nH]c(=O)n2C)c(C)s1 252497598 QKPGWYAEZPEVPA-UHFFFAOYSA-N 295.368 0.083 0 50 CCAA Cc1cc(C)cc(CCC(=O)N[C@@H]2CNC[C@H]2O)c1 534588357 LWODOHHMCJOLHX-ZIAGYGMSSA-N 262.353 0.685 0 50 CCAA Cc1nonc1CC(=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 534667782 BTVPVAFZTMXLNJ-SKWLPYGWSA-N 262.313 0.129 0 50 CCAA O=C(NC[C@@H]1CNCCO1)c1cccc2ccnn12 534589600 LMOHBKMFSPYBML-NSHDSACASA-N 260.297 0.053 0 50 CCAA O=S(=O)(CCN1CC[C@H]2CNC[C@H]21)c1ccccc1 534652491 RYHYVSGTVCRQKL-GXTWGEPZSA-N 280.393 0.754 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1ccccc1-c1nc[nH]n1 824506773 QGVFZHUJNNSAET-RYUDHWBXSA-N 288.307 0.615 0 50 CCAA CN(C)C1CCN(C(=O)[C@@H]2CSC(C)(C)C(=O)N2)CC1 584891322 KQPJBUHESCTUDC-NSHDSACASA-N 299.440 0.549 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)CCc2cnn(C)c2)C1 670472338 VJXJCQVDGKMYBV-NSHDSACASA-N 278.356 0.337 0 50 CCAA CC[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ncc(C)[nH]1 670468718 FDCCJDLIOCCRPH-VIFPVBQESA-N 275.312 0.693 0 50 CCAA O=C(CCCn1cnnn1)N1CC(Oc2ccccc2)C1 670469992 YJTQYHPOBOSWTP-UHFFFAOYSA-N 287.323 0.743 0 50 CCAA COc1ccnc(N2CCC(O)(c3ncnn3C)CC2)n1 1548520512 SOHPWXSNUAKPLF-UHFFFAOYSA-N 290.327 0.102 0 50 CCAA CO[C@@H]1CN(C)C[C@H]1NC(=O)c1c(F)ccc2n[nH]cc12 1875295531 IUKYYNDDOYVYQR-VXGBXAGGSA-N 292.314 0.761 0 50 CCAA C[C@H]1CCCN[C@@H]1C(=O)N1CC2(CCCNC2)C1 1875316797 HAYUBHLYJFUGLV-RYUDHWBXSA-N 251.374 0.587 0 50 CCAA CC[C@@H](C(=O)N1CCC(CO)(CN(C)C)CC1)N(C)CC 952873820 OWQPUNRDLYYQIL-AWEZNQCLSA-N 299.459 0.879 0 50 CCAA CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](F)C1 952963149 FVVUNEUJZDIRRX-NXEZZACHSA-N 254.261 0.635 0 50 CCAA Nc1nccc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1 1339610564 RAISFWUQFAKWJB-VHSXEESVSA-N 250.302 0.443 0 50 CCAA CC(=O)N[C@@H](C)C(=O)Nc1cc(C(F)(F)F)n(C)n1 1773724990 LHICFAUWIQTQBF-YFKPBYRVSA-N 278.234 0.902 0 50 CCAA O=C(NC1CC(CCO)C1)[C@@H]1NCC12CCCC2 1342170676 BKALQRDNPHDAOP-MCIGGMRASA-N 252.358 0.796 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CC[C@H](N)C[C@@H]1C 1565511083 KWKXUVDJVHHTJC-QWRGUYRKSA-N 286.401 0.712 0 50 CCAA Cn1nnc2c1[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C2 91303422 XVFGRNPTDDWFIY-SSDOTTSWSA-N 282.300 0.734 0 50 CCAA in-vitro O=C(c1cnn[nH]1)N1CCN(c2ccccn2)CC1 72139073 OLQVQUFSDVSGAO-UHFFFAOYSA-N 258.285 0.162 0 50 CCAA COCc1ccc(S(=O)(=O)N2CC[C@H]2C(=O)O)cc1 555219057 QSJSVQZJTCXUMZ-NSHDSACASA-N 285.321 0.681 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cnc2cnccn12 643764374 VYKHQGDYYJPYJG-CQSZACIVSA-N 289.339 0.196 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1nn(C)cc1C 643947126 SGYXBLZVINWAHV-CQSZACIVSA-N 294.355 0.096 0 50 CCAA Cn1cc(CCN[C@H]2CCC(=O)NC2(C)C)nn1 647324463 XAFQVZSTKHVCOQ-JTQLQIEISA-N 251.334 0.004 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)c1nc[nH]n1 647741407 FVVVGZWXKKVIML-MXWKQRLJSA-N 286.291 0.731 0 50 CCAA C[C@H](C(=O)N(C)C)N(C)CCn1cc(Cl)cn1 1506402622 PZQZOHOOBIGAPB-SECBINFHSA-N 258.753 0.945 0 50 CCAA C[C@H](NC(=O)[C@]1(C(=O)O)CC1(C)C)c1ncon1 663116145 PIDVUWPIQANHDT-KGFZYKRKSA-N 253.258 0.748 0 50 CCAA CC(C)c1nnc(N2C[C@@H]3[C@@H](C2)C3(CO)CO)s1 1772803962 MUILFYVNFQOFRZ-RKDXNWHRSA-N 269.370 0.699 0 50 CCAA CC(NCc1ccccc1)=C1C(=O)NC(=O)NC1=O 5561742 TVLSSNYPTXVZFU-UHFFFAOYSA-N 259.265 0.416 0 50 CCAA CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C)C(=O)O 12381025 QJHYCOMQYFAEKW-PELKAZGASA-N 296.298 0.462 0 50 CCAA Cc1nn(C)c(C(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1C 1857698077 VVSCISARXVTSIC-FRRDWIJNSA-N 293.367 0.649 0 50 CCAA N[C@@H]1CC[C@H](C(=O)NCc2ccc(F)cc2)C[C@H]1O 1857719433 MYFBKNFSXIQRIP-CYZMBNFOSA-N 266.316 0.930 0 50 CCAA CN(C(=O)c1ccco1)[C@@]1(C)CCS(=O)(=O)C1 4501902 QYRDINNTDCXUQI-NSHDSACASA-N 257.311 0.929 0 50 CCAA CCn1nnc(C)c1CN1CCC[C@@]1(COC)C(=O)NC 643765939 SQKPRXFUISFJOK-CQSZACIVSA-N 295.387 0.333 0 50 CCAA Nc1nc(N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cc2nncn12 247661809 TVKGAROZESAFJL-BDAKNGLRSA-N 288.311 0.254 0 50 CCAA Cc1cc(C(=O)N2CC[C@@](O)(Cn3ccnn3)C2)c(C)o1 671500219 ZDEXMCGJQYACKT-AWEZNQCLSA-N 290.323 0.765 0 50 CCAA Cc1c(CN(C)CC(=O)Nc2cccnn2)cnn1C 930267769 KILVNPQTKMKHJK-UHFFFAOYSA-N 274.328 0.589 0 50 CCAA CC(C)COCCN1CC[C@@H]2OCC(=O)N[C@H]2C1 253398459 QUQJPSSGSHAIFK-RYUDHWBXSA-N 256.346 0.248 0 50 CCAA C[C@@H](C(=O)O)N1CCO[C@@](C)(c2cnn(C)c2)C1 262438134 CMINZRQGRXWQFF-JOYOIKCWSA-N 253.302 0.441 0 50 CCAA CN(C)C1(CNC(=O)[C@H]2C[C@@H](O)CN2)CCCCC1 40803392 OLOZPIUFZGBPPZ-VXGBXAGGSA-N 269.389 0.090 0 50 CCAA CCOC[C@H](O)CN1C(=O)[C@@H]2CCCCN2C1=O 330697354 KNZGUEJOBDIJGO-ZJUUUORDSA-N 256.302 0.201 0 50 CCAA Cc1ncn(C)c1C(=O)N[C@H](CC(=O)O)C(C)C 426648188 UAFCQVYEYVBTNJ-SECBINFHSA-N 253.302 0.958 0 50 CCAA CCn1ncc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)n1 857274763 CQVYDWWNDCLESV-SNVBAGLBSA-N 275.316 0.784 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@H]1CCCN1c1ncccn1 2325733495 UVJCVIDMDHHNIN-GHMZBOCLSA-N 278.312 0.282 0 50 CCAA CCn1cc(CS(=O)(=O)Cc2nnc(C)s2)nn1 2325870792 PIESDLZZMAMIDE-UHFFFAOYSA-N 287.370 0.573 0 50 CCAA CC(C)NC(=O)C(=O)Nc1ccc2c(c1)OCCO2 3680921 SJBYPZCOBLRAIJ-UHFFFAOYSA-N 264.281 0.921 0 50 CCAA CCOC(=O)C1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 100025670 SFFQYGDIFWFUAF-GHMZBOCLSA-N 273.288 0.981 0 50 CCAA CN1CC(=O)N2CCN(C3Cc4ccccc4C3)C[C@H]2C1=O 65407237 PELTVRVRQDYYDG-HNNXBMFYSA-N 299.374 0.139 0 50 CCAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)Cc2cccnc2)C1 65383381 VYULVTFVPFPVQT-OLZOCXBDSA-N 263.341 0.148 0 50 CCAA O=C1NC(=O)[C@](Cc2ccc(F)cc2)(C2CCNCC2)N1 67714355 KXAJDLALJZIERU-HNNXBMFYSA-N 291.326 0.946 0 50 CCAA CCc1ccccc1OCCN[C@H](C(N)=O)[C@@H](C)O 65461207 UDVYNAUTSRBSMC-MFKMUULPSA-N 266.341 0.452 0 50 CCAA CN(C)S(=O)(=O)N1CCC[C@](CO)(c2ccccc2)C1 252499210 RXDYHGARMBVVGI-AWEZNQCLSA-N 298.408 0.819 0 50 CCAA N[C@H]1CN[C@H](C(=O)NCc2cc(-c3ccco3)on2)C1 67934913 LFGUQLLZETZFGQ-SCZZXKLOSA-N 276.296 0.240 0 50 CCAA CCn1cnnc1[C@@H]1CN([C@H]2CCCC[C@H]2O)CCO1 328631528 KNQGXCUGMKKWSD-XQQFMLRXSA-N 280.372 0.975 0 50 CCAA C[C@H]1CN(c2ncnc3nc[nH]c23)C[C@]1(O)C1CC1 219609431 OGIJSHAEMBRJTO-ISVAXAHUSA-N 259.313 0.950 0 50 CCAA CCCCCS(=O)(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 253370846 WZRZCBTVYOVVIU-RYUDHWBXSA-N 276.402 0.521 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2cnn3ccccc23)CCO1 72433443 WQYRXLRBNVIZEK-NSHDSACASA-N 275.264 0.260 0 50 CCAA Cc1noc(-c2ccnc(N(C)[C@@H]3COC[C@H]3O)c2)n1 367811579 ASJXZTJVMDQYIK-GHMZBOCLSA-N 276.296 0.636 0 50 CCAA O=S(=O)(N[C@H]([C@@H]1CCCO1)C1(CO)CCC1)C1CC1 368073862 SXVWONJYFSFZRZ-NWDGAFQWSA-N 289.397 0.778 0 50 CCAA COC1=C(OC)[C@](O)(C2=CCCC[C@@H]2OC)C1=O 39021582 FQZCFGIEZJTGPO-ZANVPECISA-N 254.282 0.930 0 50 CCAA NC(=O)c1ccc(=O)n(CCCCC2CCOCC2)n1 240244150 DKHYFIUUXFSMNK-UHFFFAOYSA-N 279.340 0.939 0 50 CCAA CCNC(=O)[C@H]1CCN(C(=O)c2cnc(SC)nc2)C1 220734393 DEJMTXYWZRSDER-VIFPVBQESA-N 294.380 0.797 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)CCc1cnn(C)c1 223056108 KWOUPCRYBBKHRS-VXGBXAGGSA-N 267.329 0.273 0 50 CCAA CC(C)CN1CCN(C(=O)c2cccc(N)n2)[C@@H](C)C1=O 223166923 XFQZATBBDASWGI-NSHDSACASA-N 290.367 0.993 0 50 CCAA CN1CCN(CC(=O)N2CCC[C@H](c3ncon3)C2)C1=O 426582851 QRHJINNSBQTGJZ-JTQLQIEISA-N 293.327 0.143 0 50 CCAA CCO[C@H]1CN(CC(=O)N2CCc3ccccc32)C[C@@H]1O 220565777 CAAACMUFQCPCFK-GJZGRUSLSA-N 290.363 0.657 0 50 CCAA Cc1nn(CC(=O)N(C)[C@@H]2CCNC2)c(C)c1Cl 179102141 JKEOWDFVQHTRQC-SNVBAGLBSA-N 270.764 0.974 0 50 CCAA CN(C)C(=O)NCC(=O)N1CCCC[C@H]1CC(=O)O 426563148 SPPQUNNYXFXODU-VIFPVBQESA-N 271.317 0.113 0 50 CCAA O=C(O)CN1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91452042 IOBSMWTXNMRQTJ-CQSZACIVSA-N 266.341 0.796 0 50 CCAA O=C(CCn1nnc2ccccc21)NC1(C(=O)O)CC1 426431408 UUBURSJZEHBGBD-UHFFFAOYSA-N 274.280 0.555 0 50 CCAA OC1CCN(c2ccnc(-c3cncnc3)n2)CC1 97657235 RGYIOEBMAMFOOP-UHFFFAOYSA-N 257.297 0.895 0 50 CCAA CC(C)c1cc(CN(C)Cc2noc(C(N)=O)n2)no1 244735093 NSWRZKXGJCBGBD-UHFFFAOYSA-N 279.300 0.912 0 50 CCAA COC(=O)c1cn(Cc2ccncc2)cc2c(=O)[nH]nc1-2 253413824 VTVIWOYUUBWMOW-UHFFFAOYSA-N 284.275 0.906 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)NC(C)(C)C(=O)O 299746906 BPCOBLFHFUJPEO-IUCAKERBSA-N 259.302 0.550 0 50 CCAA CNC(=O)CN(C)C(=O)c1ccc(C)cc1OCCCN 299799693 YCSZSWOKVCROHP-UHFFFAOYSA-N 293.367 0.541 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)CC1CCNCC1 823350069 HXJJVFHNXQECRP-STQMWFEESA-N 269.389 0.211 0 50 CCAA Cc1nonc1CNC(=O)Cn1nc2ccccc2n1 584892771 QLBWRGJHJOPCNR-UHFFFAOYSA-N 272.268 0.439 0 50 CCAA O=C(C[C@H]1CCCOC1)NCCN1CCCCC1=O 584898267 XWLCWXZQCBVUPK-GFCCVEGCSA-N 268.357 0.932 0 50 CCAA CCOCCC(=O)N1CCN(CCSC)CC1 584888051 RSIBMVYQNQQOMW-UHFFFAOYSA-N 260.403 0.920 0 50 CCAA Cc1cc(=O)n(C)cc1NC(=O)[C@@H]1C[C@H]1C(=O)O 268950142 PWONETDRYWGSSH-HTQZYQBOSA-N 250.254 0.353 0 50 CCAA Cc1nc(C(=O)N2CCN(Cc3ccnn3C)CC2)no1 1875282677 OFZJGPMXEJOPGW-UHFFFAOYSA-N 290.327 0.070 0 50 CCAA COCC(C)(C)C(=O)N1CCC[C@@](O)(C(=O)O)C1 1875291829 MVKVOTMUCNXASR-LBPRGKRZSA-N 259.302 0.097 0 50 CCAA C[C@H](NC(=O)C12CC(C(=O)O)(C1)C2)C(=O)NC1CC1 1875272772 OFOPQRSKEIBBSJ-VANPFNHASA-N 266.297 0.025 0 50 CCAA O=C1CCN(C(=O)c2cc(O)nc(C3CC3)n2)CCCN1 1875332912 QLDQTJQADGKQMF-UHFFFAOYSA-N 290.323 0.412 0 50 CCAA C[C@H](O)CONC(=O)[C@@H]1COc2ccccc2O1 1875396358 CTAUTLUYNHIVTI-KWQFWETISA-N 253.254 0.255 0 50 CCAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cnc[nH]1 1875402684 KEXDLLUDOYEPBY-HOSYDEDBSA-N 275.312 0.176 0 50 CCAA CC[C@@H](C)CCNC(=O)C(=O)NCC(=O)N(CC)CC 1330426756 UXTPDWSPDKSTDM-LLVKDONJSA-N 285.388 0.523 0 50 CCAA COCC[C@@H](C)NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C 886095111 LQZOHNHHLCWPCQ-SNPRPXQTSA-N 296.415 0.806 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N(C)c2nccn2C)C1=O 888076271 RTMDWKTYMOVXEU-NSHDSACASA-N 294.355 0.410 0 50 CCAA Cc1nc2n(n1)CCN(c1nc(N)nc(C(F)F)n1)C2 1771844161 KDWYFSAYSNOQOD-UHFFFAOYSA-N 282.258 0.312 0 50 CCAA CCN(CCC(=O)NC)c1ncnc2c1ncn2C 896982932 YAXIEZIWVTWZOW-UHFFFAOYSA-N 262.317 0.326 0 50 CCAA CN(C[C@H]1CCCN1c1cccnn1)[C@H]1CCOC1=O 248136325 RVORIALHOBTNHJ-NEPJUHHUSA-N 276.340 0.693 0 50 CCAA COc1ccc(OCC(=O)N2CCN(C)CC2)cc1 19759042 DWPAUQFOFJJUBQ-UHFFFAOYSA-N 264.325 0.848 0 50 CCAA CSCc1n[nH]c(CNC(=O)c2n[nH]cc2C)n1 899474068 XHHIIRFNAOSCQE-UHFFFAOYSA-N 266.330 0.629 0 50 CCAA COC(=O)[C@H](C)CS(=O)(=O)N1CCN(C)[C@@H](C)[C@H]1C 408079663 AJAVODKSBHSCKN-OUAUKWLOSA-N 292.401 0.150 0 50 CCAA Cc1nc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2C(C)C)cn1C 408505769 YDGRHSYPYLINHD-VHSXEESVSA-N 285.369 0.826 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1nnc[nH]1 277022327 BOQKSCGAOUVPMU-UWVGGRQHSA-N 252.318 0.968 0 50 CCAA O=C(C1CSC1)N1CCC[C@@H](c2nnc(O)o2)C1 632843434 RMMBOJGUEPUDSF-SSDOTTSWSA-N 269.326 0.844 0 50 CCAA Cc1occc1CN1CCC[C@@](O)(CC(N)=O)C1 643747871 RDBJSCZOQDSLHA-CYBMUJFWSA-N 252.314 0.790 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cnc[nH]1 643829867 PBLBZCOJBUHOBT-LBPRGKRZSA-N 252.318 0.137 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)c1cn(C2CCC2)nn1 648367193 MRPVQCXXDWEJKB-VIFPVBQESA-N 277.328 0.354 0 50 CCAA COc1c(N)ncnc1N1CCO[C@@H](c2n[nH]c(C)n2)C1 570226174 INVWWEJPQMQJOY-MRVPVSSYSA-N 291.315 0.072 0 50 CCAA Cc1cc(C)n2nc(C(=O)NOC[C@H]3CCOC3)nc2n1 788119457 SNHNBEGYTJWUHH-JTQLQIEISA-N 291.311 0.439 0 50 CCAA Nc1n[nH]c(CCN[C@@H]2CCN(c3ccccc3)C2)n1 1506427251 LGLARDWQXQBVFY-LLVKDONJSA-N 272.356 0.798 0 50 CCAA CC[C@]1(O)CCN(Cc2nccc(OC)c2OC)C[C@@H]1O 222010871 DYJODYARJMTFMX-ZFWWWQNUSA-N 296.367 0.807 0 50 CCAA Cc1cc(C(N)=O)c(NCCn2cncn2)nc1C 1704339905 ZFRVGVKBBSQDAQ-UHFFFAOYSA-N 260.301 0.501 0 50 CCAA CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)OC2(CCC2)C1 335357463 DDCACWHKJLHINR-NXEZZACHSA-N 254.330 0.681 0 50 CCAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C1(C(=O)O)CC1 154922245 GTEGKMWKKRFJRQ-HLTSFMKQSA-N 253.298 0.781 0 50 CCAA CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)O 5007430 ANVONRZXOWPQGF-SNVBAGLBSA-N 257.311 0.969 0 50 CCAA CCOC(=O)[C@H](C(C)=O)N1C(=O)c2ccccc2C1=O 5592526 YWTDPYHNFAPDLD-NSHDSACASA-N 275.260 0.803 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cnn(C)n2)C1 818210927 XSRSQHJRSDJJSE-MNOVXSKESA-N 262.317 0.500 0 50 CCAA COc1cnc(C(=O)N2CCNC(=O)[C@@H]2CC(C)C)nc1 349009966 SHWJADUZRIUZFR-NSHDSACASA-N 292.339 0.472 0 50 CCAA C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@H]1C(=O)O 262093864 HNNGAIMFHFHUFG-KOLCDFICSA-N 264.281 0.925 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)COc1cccnc1 263941243 HLUCPRWJBGOLQR-GFCCVEGCSA-N 277.324 0.588 0 50 CCAA COC(=O)[C@@](C)(O)CNC(=O)c1ccc(F)cc1C 390834166 TVXCQGWRBWHTJV-ZDUSSCGKSA-N 269.272 0.788 0 50 CCAA COCC[C@@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 824384136 NRBRDLRJBPHJGB-JTQLQIEISA-N 273.358 0.847 0 50 CCAA COC(=O)CCC(=O)CN1C(=O)c2ccccc2C1=O 353992 KFILPVALWMTVMP-UHFFFAOYSA-N 275.260 0.805 0 50 CCAA CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C 527574 DLHBSSBLBWPDAV-UHFFFAOYSA-N 299.334 0.597 0 50 CCAA COc1cc([C@@H](N)CC(=O)O)ccc1OCC(N)=O 1235002 IXNFIEZDVQLKFQ-QMMMGPOBSA-N 268.269 0.034 0 50 CCAA CN1CCOC2(CCN(C(=O)[C@H](O)C(F)(F)F)CC2)C1 2356169685 VNLKDGLVZOHBOF-VIFPVBQESA-N 296.289 0.233 0 50 CCAA CC1=NN(c2cccc(S(N)(=O)=O)c2)C(=O)C1 100044408 ASVVGQURNHNITH-UHFFFAOYSA-N 253.283 0.447 0 50 CCAA in-vitro Cc1ccc(CN(CCCO)C[C@H](O)CO)s1 55182486 JMPLNHUEAAIOIR-NSHDSACASA-N 259.371 0.594 0 50 CCAA O=C1C[C@H](N2CCOCC2)C(=O)N1Cc1ccccc1 100762706 CONRTCKJBYUDAD-ZDUSSCGKSA-N 274.320 0.646 0 50 CCAA CCOC1CCN(C(=O)CSCC(N)=O)CC1 60410280 FAXKEUHLQVYWJZ-UHFFFAOYSA-N 260.359 0.232 0 50 CCAA CN1CCN(CCNC(=O)c2ccccc2F)CC1 20818904 GLWCFWNEVRTYAB-UHFFFAOYSA-N 265.332 0.803 0 50 CCAA Cc1cc(C[C@@H](C)Nc2nc(N)nc3c2CCNC3)n[nH]1 71315468 KVEBGYSTZALLMN-MRVPVSSYSA-N 287.371 0.779 0 50 CCAA O=C([C@H]1NCCc2[nH]cnc21)N1CCSCC1 72420314 DCOBUIXBYIZPRP-JTQLQIEISA-N 252.343 0.172 0 50 CCAA CCOc1ccnc(NCCN2CCOCC2)n1 65394349 CVIUHKFYHLCOFE-UHFFFAOYSA-N 252.318 0.619 0 50 CCAA CCn1cc(CNC(=O)c2cnc3ccccn3c2=O)cn1 20256285 LRJZEFZWVDCEOF-UHFFFAOYSA-N 297.318 0.841 0 50 CCAA CC[C@@H](C)OCC(=O)N1CCC(O)(COC)CC1 330494441 OXPIASQWZFMNNT-LLVKDONJSA-N 259.346 0.801 0 50 CCAA CCc1cnc(C)nc1N1CCC(NS(C)(=O)=O)CC1 65436148 AARFWMGLGWNBCO-UHFFFAOYSA-N 298.412 0.865 0 50 CCAA COC(=O)[C@]1(C)CN(C(=O)c2c[nH]nn2)C[C@H]1C 282032967 BBYPLULPBSPQFH-RDDDGLTNSA-N 252.274 0.076 0 50 CCAA NC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1CCCCC1 121988843 QEKIVWVYCKXZLI-QWRGUYRKSA-N 253.346 0.289 0 50 CCAA CC[C@H](NC(=O)Cc1cnc[nH]c1=O)c1ccncc1 214984287 LQKGAMQOCAUTMO-LBPRGKRZSA-N 272.308 0.975 0 50 CCAA CCN1CCN(C(=O)CN(C)C)C[C@@H]1c1ncc[nH]1 356037315 QEEORUWGMVNPBO-LLVKDONJSA-N 265.361 0.177 0 50 CCAA CCN1CCN(C(=O)c2cc[nH]n2)C[C@@H]1c1ncc[nH]1 328641346 XUKSVUZMCVSGMM-LLVKDONJSA-N 274.328 0.652 0 50 CCAA CC(C)[C@H]1C(=O)N(C)CCN1C(=O)c1cccn(C)c1=O 215801928 FYFWXTNJDLJTJS-LBPRGKRZSA-N 291.351 0.324 0 50 CCAA CC(=O)N1CCO[C@@H](Cn2ccnc2-c2nccn2C)C1 77377639 FMOGELHXUMYVNU-GFCCVEGCSA-N 289.339 0.531 0 50 CCAA COCc1noc(CN[C@@H]2CCCC[C@@H]2CO)n1 124848328 SRENMDNWPYTWEZ-NXEZZACHSA-N 255.318 0.857 0 50 CCAA CO[C@@H]1CCC[C@@H](CC(=O)NCCc2nc(=N)[nH]o2)C1 331066525 QEUWWLOBHOFQIC-NXEZZACHSA-N 282.344 0.736 0 50 CCAA O=C(CN1CCCC1)NCCOc1cccc(C(=O)O)c1 219510629 SMASJUUCIREYGK-UHFFFAOYSA-N 292.335 0.976 0 50 CCAA CN(Cc1nnc[nH]1)C(=O)CC1(O)CCCCC1 175653372 ADFVKMSSALOKMJ-UHFFFAOYSA-N 252.318 0.848 0 50 CCAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cnn[nH]1 72122450 QQSVDWBFPQXCSM-NSHDSACASA-N 285.351 0.981 0 50 CCAA COc1cc(C(=O)O)cc(C(=O)N[C@H]2COC[C@@H]2OC)c1 426526413 OZXFAZUZLUKQAA-RYUDHWBXSA-N 295.291 0.537 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCC[C@@H](CCC(=O)O)C1 426621654 MBVGIRLZVBITSR-VIFPVBQESA-N 266.301 0.830 0 50 CCAA CCCO[C@@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 40501557 HEUXZVWVKGPEHZ-SNVBAGLBSA-N 273.358 0.989 0 50 CCAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ncc[nH]1 426535870 MCTDJKDYHDNKEI-LBPRGKRZSA-N 295.387 0.662 0 50 CCAA COc1ncc(C(=O)NCCN2CCCC[C@H]2CO)cn1 426489736 YECKVHSIDQCTQH-LBPRGKRZSA-N 294.355 0.062 0 50 CCAA CN1CCCC[C@@H]1CC(=O)NCCc1cnn[nH]1 426667701 XYDNYWAFRRXBBE-LLVKDONJSA-N 251.334 0.338 0 50 CCAA CN(Cc1ccoc1)C(=O)[C@@H]1CCC(=O)NC(=O)N1 97295109 RDXMZMYRNRZYSW-VIFPVBQESA-N 265.269 0.226 0 50 CCAA CNCC(=O)N1CCO[C@H](c2ccccc2F)C1 237206124 CEHDWJLERJBSJK-LBPRGKRZSA-N 252.289 0.945 0 50 CCAA CCc1ncc(C(=O)NCCCn2ccnn2)cn1 95356325 GQKWHFOHIYDJGA-UHFFFAOYSA-N 260.301 0.451 0 50 CCAA CCN(CCOC)[C@@H](C)C(=O)Nc1nncs1 244899910 ZSQZOWVKRWPZKW-QMMMGPOBSA-N 258.347 0.833 0 50 CCAA Cc1cc(C(=O)N2CCC[C@H]2Cn2ccnn2)no1 299746455 XMHWUJBOELTQNK-JTQLQIEISA-N 261.285 0.879 0 50 CCAA CCc1cc(N2CCN(C(=O)[C@H]3C=CCN3)CC2)ncn1 534653063 MPIWSXCMZZQPER-CYBMUJFWSA-N 287.367 0.216 0 50 CCAA O=C(C[C@@H]1CC1(F)F)NCCN1CCC(CO)CC1 534658875 IVKUGQVKXSFUBX-LLVKDONJSA-N 276.327 0.852 0 50 CCAA CC1(C)SC[C@H](C(=O)NCc2cccnc2N)NC1=O 534663417 BFUPLMIZSBFCLG-SECBINFHSA-N 294.380 0.290 0 50 CCAA Nc1n[nH]c(C(=O)N2CCNCC2)c1-c1ccccc1 534592793 NVAKRNILYKWSIP-UHFFFAOYSA-N 271.324 0.704 0 50 CCAA O=C(NCCn1ccnn1)c1cc2c(nc1O)CCCC2 534577275 DXVPPANVHZKFQC-UHFFFAOYSA-N 287.323 0.688 0 50 CCAA Cc1cccc([C@@H](CNC(=O)C2(C(N)=O)CC2)N(C)C)c1 534657433 VKHQOBCQAQTQGI-CYBMUJFWSA-N 289.379 0.979 0 50 CCAA Cc1[nH]nc(CCC(=O)N2CCNC[C@@H]2C)c1C 534646485 AZWFWCYAOMHIFJ-VIFPVBQESA-N 250.346 0.779 0 50 CCAA C[C@@H]1CCCCN1CC(=O)NCC1CCN(CCO)CC1 828759869 ZLUFWFRHOSYSAS-CQSZACIVSA-N 297.443 0.681 0 50 CCAA CC(=O)N[C@@H]1CCN(CC(=O)NCc2ccc(C)s2)C1 1367025604 VUNXBUGTXCJMQY-GFCCVEGCSA-N 295.408 0.883 0 50 CCAA O=C(NCC[C@@H](O)CO)c1ccc(SCCO)cc1 584893273 RSNBXIFOVFENCB-LLVKDONJSA-N 285.365 0.244 0 50 CCAA O=C1CCc2c1cccc2C(=O)NC[C@]1(O)CCCNC1 584887244 VTRZNVNKRSXDGT-INIZCTEOSA-N 288.347 0.660 0 50 CCAA CC(C)c1noc(CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n1 670468620 VJIUBZFMSQLJOL-DTORHVGOSA-N 278.312 0.240 0 50 CCAA CC[C@H](N[C@@H]1CCC[C@H]1OC)C(=O)N1CCOCC1 864235490 ZSJPZECRLSYPMX-YNEHKIRRSA-N 270.373 0.781 0 50 CCAA Cc1ccn(C[C@H](C)C(=O)N2CCOCCN2)n1 868628036 HROPQOMIIZKNRC-JTQLQIEISA-N 252.318 0.191 0 50 CCAA Cc1cncc(NC(=O)[C@H]2CC(=O)N(C3CN(C)C3)C2)c1 952888204 NCBNAMBQMRWAIL-NSHDSACASA-N 288.351 0.491 0 50 CCAA CC[C@@H](CNC(=O)c1ccc2c(n1)CNCC2)C(=O)O 1875272298 YRGSODBISCZHNN-VIFPVBQESA-N 277.324 0.568 0 50 CCAA Cc1nc(C2CC2)ncc1C(=O)NS(=O)(=O)N1CCC1 1875285696 WQAVQGLAGPBAIN-UHFFFAOYSA-N 296.352 0.343 0 50 CCAA Cc1nn(CCO)c(C)c1CNC[C@]1(C)CCN(C)C1 952978873 UBXRQEHFLVFHGN-HNNXBMFYSA-N 280.416 0.924 0 50 CCAA O=C(c1cnn[nH]1)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 1076059450 QKBIAVDNGOMQQN-RYUDHWBXSA-N 275.356 0.751 0 50 CCAA CCOc1cc(N2CCN(C)[C@H](CO)C2)nc(C)n1 894886451 VSLCTUDARVKFHM-NSHDSACASA-N 266.345 0.296 0 50 CCAA Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCC12COC2 1775988283 WPXBGLGTRBYTJV-UHFFFAOYSA-N 291.336 0.852 0 50 CCAA CCN(CC)C(=O)CS(=O)(=O)Cc1ccncc1 170610958 HQEKLXZIMVCKDY-UHFFFAOYSA-N 270.354 0.865 0 50 CCAA Cc1cc(O)cc(=O)n1CC(=O)N1CCCc2n[nH]cc21 280174057 SLODBQQZEIWNAE-UHFFFAOYSA-N 288.307 0.565 0 50 CCAA Cc1cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)ns1 585090275 XPFJQXGHVLEHBP-UHFFFAOYSA-N 296.396 0.298 0 50 CCAA CCCCCOCC(=O)N1CCN(C)C[C@@H]1CO 585127623 FNCAWLWSFSGEMN-GFCCVEGCSA-N 258.362 0.328 0 50 CCAA Nc1ncc(CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)cn1 1529098868 NJGKGVZWUCLLMH-TZMCWYRMSA-N 285.351 0.489 0 50 CCAA C[C@H](CN1CCCC1)CN(C)C(=O)c1cnn[nH]1 1529113604 GPMRMSOHPFZGSA-JTQLQIEISA-N 251.334 0.609 0 50 CCAA Cc1nc(C(C)C)ncc1C(=O)N1CC[C@@H](CO)[C@@H](O)C1 215523887 KPRXTIBHBMSANA-AAEUAGOBSA-N 293.367 0.724 0 50 CCAA CO[C@H]1CN(S(=O)(=O)c2ccccc2F)C[C@@H]1OC 234775830 ZSBYGIHSLQRFLQ-QWRGUYRKSA-N 289.328 0.860 0 50 CCAA NC1(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)CCCC1 1704297759 WGZGMFGTTTZVRN-TZMCWYRMSA-N 289.379 0.715 0 50 CCAA CNS(=O)(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)O 1610147333 PLKIYBPVISTZEX-APPZFPTMSA-N 250.320 0.074 0 50 CCAA CC1(C)OC[C@H]2CNC[C@]21C(=O)NCc1ccc(O)nc1 1616038757 JYWFPJXJPUUCHN-IAQYHMDHSA-N 291.351 0.418 0 50 CCAA Cc1cc(C(=O)O)nc(N2C[C@@H]3COCC[C@]3(CO)C2)n1 1772710761 VXPDKCZVNNKYED-QMTHXVAHSA-N 293.323 0.318 0 50 CCAA O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)n2cnnc2N1 13124692 ZEOXIFDXVDJUNA-SECBINFHSA-N 275.243 0.880 0 50 CCAA CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 16637260 LCZKSVCCOMAQIZ-GHMZBOCLSA-N 276.402 0.963 0 50 CCAA Cc1nonc1OCCNC(=O)[C@@H]1CCn2nccc2C1 1857697835 OCKSOYWLWSDEAN-SNVBAGLBSA-N 291.311 0.332 0 50 CCAA Cc1nc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)cs1 1857721365 LLWOOGWCDCNMFQ-MNOVXSKESA-N 281.381 0.854 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCC(CO)(CO)CC2)cc1 230503857 SSPZMXLYVPOWNY-UHFFFAOYSA-N 299.392 0.751 0 50 CCAA in-vitro CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(=O)c(OC)co1 330388708 NJXYCXFMBUASNU-DTWKUNHWSA-N 294.307 0.293 0 50 CCAA C[C@@H](C(=O)O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 263549879 JYQRASKLDMVFCP-NXEZZACHSA-N 276.292 0.629 0 50 CCAA CCn1[nH]nnc1=NC(=O)NCC(C)(C)C1CCOCC1 931679602 VIFXBFCIWMERTG-UHFFFAOYSA-N 296.375 0.689 0 50 CCAA CC(C)(C)OC(=O)N1CC(n2ncc(C(=O)O)n2)C1 1857787344 GTGIGIQUUWVZMV-UHFFFAOYSA-N 268.273 0.768 0 50 CCAA Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)nc1 227331923 JTYAUTHRYLJKOK-IQIPOGNMSA-N 274.276 0.983 0 50 CCAA O=C(c1cc(=O)[nH]c2ccccc12)N1CC=C[C@H]1CO 92080773 VPRBJLCLGTUOJY-JTQLQIEISA-N 270.288 0.901 0 50 CCAA CS(=O)(=O)CCN1CC(Oc2ccccc2)C1 670448672 XIWNDICFYOCALQ-UHFFFAOYSA-N 255.339 0.794 0 50 CCAA O=C(O)c1ccc(NCCS(=O)(=O)N2CCCC2)nc1 721843554 DWKOVRXDPJBIAT-UHFFFAOYSA-N 299.352 0.617 0 50 CCAA Nc1c(N2CCOCC2)n2c(nc3ccccc32)[nH]c1=O 1857800503 BDQRIUJAALIZJF-UHFFFAOYSA-N 285.307 0.595 0 50 CCAA O=C(N[C@@H](CO)C1CC1)c1nnc2c(F)cccc2c1O 2325804903 AYJGRRFDQFACPW-JTQLQIEISA-N 291.282 0.975 0 50 CCAA Cc1cncc(C(=O)N(CCc2nn[nH]n2)C(C)C)c1 2325808776 UQKPMNZKCBQXHE-UHFFFAOYSA-N 274.328 0.996 0 50 CCAA NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 207953 FWMBBKYTKBLPEO-UHFFFAOYSA-N 268.338 0.573 0 50 CCAA Nc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1 2020193 GADGMZDHLQLZRI-SECBINFHSA-N 266.253 0.317 0 50 CCAA in-vitro CN(C)CCNC(=O)C(=O)Nc1ccc(F)cc1 2351705 MNMSZDQZNSAVIO-UHFFFAOYSA-N 253.277 0.442 0 50 CCAA Cc1cc(S(C)(=O)=O)ccc1NCC(=O)N(C)C 114452734 JAALQNPIWOWCHB-UHFFFAOYSA-N 270.354 0.899 0 50 CCAA CN=c1ccc(C(=O)NCc2c(C)nn(C)c2OC)c[nH]1 351535045 SKWKJDCOCOPTQZ-UHFFFAOYSA-N 289.339 0.526 0 50 CCAA CCCS(=O)(=O)N1CCC2(CC1)CN(C)CCN2C 67756746 JWGAKOOGOZPNME-UHFFFAOYSA-N 289.445 0.438 0 50 CCAA CCCc1cnc(C)nc1N1CCN(C)[C@H](C(=O)O)C1 67740413 MWQULMBLLZOPCI-LBPRGKRZSA-N 278.356 0.943 0 50 CCAA COC(=O)[C@H](CCC(N)=O)NCc1ccccc1 64219542 ROKPETSHBXGIOX-NSHDSACASA-N 250.298 0.583 0 50 CCAA CN(Cc1ncc[nH]1)C(=O)Cn1nnc(-c2ccccc2)n1 67713998 VUPNOPPHZUHTIT-UHFFFAOYSA-N 297.322 0.722 0 50 CCAA CCc1ncnc(N2CCN(C)C(=O)[C@@H]2C)c1F 302376284 GAYJLBGBIWPMFQ-QMMMGPOBSA-N 252.293 0.845 0 50 CCAA COC(=O)CNC(=O)c1ccc(CSc2ncn[nH]2)o1 65526088 NMZSARFOTRHPLW-UHFFFAOYSA-N 296.308 0.593 0 50 CCAA C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1c2ccccc2C[C@H]1C 252505796 NAWGYCWFCUCQGV-NRUUGDAUSA-N 296.392 0.974 0 50 CCAA Cc1c[nH]cc(C(=O)NC[C@](C)(O)C(F)(F)F)c1=O 334032846 NFPYCSNSVIHRCM-JTQLQIEISA-N 278.230 0.726 0 50 CCAA O=S(=O)(CC[C@@H]1CCCCN1)N1CCOCC1 37661955 HWJUXMQHRHYBAV-NSHDSACASA-N 262.375 0.181 0 50 CCAA CC1CCC(NC(=O)c2nccnc2N)(C(=O)O)CC1 236686397 AQSINJQAXIWBAH-UHFFFAOYSA-N 278.312 0.822 0 50 CCAA CC(C)c1cc(C(=O)N[C@@H]2[C@@H](N)[C@H]3CCO[C@H]32)no1 219259959 KQFSUJMRMIJQLQ-UYZPKGHCSA-N 265.313 0.642 0 50 CCAA O=C(O)CCN(C(=O)Cn1cccn1)C1CCOCC1 238067267 ULDVLFYESFDCCN-UHFFFAOYSA-N 281.312 0.365 0 50 CCAA O=C(NS(=O)(=O)C[C@@H]1CCOC1)c1cscn1 157967728 ZVPMDZHYGMWWOP-SSDOTTSWSA-N 276.339 0.239 0 50 CCAA COc1ccc(F)c(CN2CCN(CCC(N)=O)CC2)c1 215964754 CFNWQGPPJVGRGB-UHFFFAOYSA-N 295.358 0.827 0 50 CCAA Cc1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 77343633 SRHHXSZSDGHNFS-VIFPVBQESA-N 255.343 0.656 0 50 CCAA Cc1ccc(C(=O)NCCN2CCNC2=O)s1 221358386 LBKBUQPKIYZGAS-UHFFFAOYSA-N 253.327 0.812 0 50 CCAA O=C(O)CNS(=O)(=O)c1cnc2onc(C3CC3)c2c1 263566847 WYEFMIAHVXCPFS-UHFFFAOYSA-N 297.292 0.463 0 50 CCAA C[C@H](CN(C)c1ccnc(N2CCOCC2)n1)C(=O)O 263565875 VZIIXEMQMYFJEM-SNVBAGLBSA-N 280.328 0.470 0 50 CCAA CCOC(=O)/C(=C/[C@@H]1OC(C)(C)O[C@H]1CO)CC(=O)O 43763064 QSSCNWCEVHEQJM-VCQGXKKCSA-N 288.296 0.463 0 50 CCAA CNC(=O)[C@H]1CCCN1Cc1ccc(-n2ccnc2)nc1 177268279 HNBVRYBTLUUESP-CYBMUJFWSA-N 285.351 0.978 0 50 CCAA C[C@@H]1C[C@H](CO)CN(C(=O)NC[C@H]2CCCO2)C1 333704070 HLXUTGDVBIVPAD-GRYCIOLGSA-N 256.346 0.825 0 50 CCAA COc1ccnc(NCC2(CS(C)(=O)=O)CC2)n1 267713769 TXRUDTZJFVRZRS-UHFFFAOYSA-N 271.342 0.722 0 50 CCAA Cc1nnc2n1[C@H](C)CN(C(=O)CCCn1cncn1)C2 96141448 PTORWQVVBQIPSC-SNVBAGLBSA-N 289.343 0.562 0 50 CCAA CC(C)n1nc([C@H]2CCOC2)nc1CN1C(=O)CNC1=O 97505853 UTKDWSMHZWJPRM-VIFPVBQESA-N 293.327 0.415 0 50 CCAA CC(C)=CC(=O)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2O 91779881 IFTVEDFRSMMBMF-OLZOCXBDSA-N 283.368 0.704 0 50 CCAA O=C(N[C@@]12CC[C@@H](O)[C@@H](SC1)[C@@H]2O)c1ccccc1 245380201 TWFRZCLIGNYBCR-NMKXLXIOSA-N 279.361 0.786 0 50 CCAA O=C([C@@H]1C[C@@H](F)CN1c1ncc(F)cn1)N1CCOCC1 299743757 PHISEOLRUZRWHI-KOLCDFICSA-N 298.293 0.391 0 50 CCAA CN(C[C@@H]1CCOC1)C(=O)c1cccn(C)c1=O 267405569 JVDJILFSPZRAMA-JTQLQIEISA-N 250.298 0.494 0 50 CCAA CC[C@H](NC(=O)CN(C)C1CCNCC1)c1ccnn1C 534660508 HGOQSYHBZWWYMV-ZDUSSCGKSA-N 293.415 0.671 0 50 CCAA O=C(CN1CCN(c2nc[nH]n2)CC1)N1CCCCCC1 299795906 LIUPKKVLJJDVRB-UHFFFAOYSA-N 292.387 0.329 0 50 CCAA Cc1cc(NC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3O)n(C)n1 299791627 FUWMFJKDZAJABA-IAZYJMLFSA-N 264.329 0.963 0 50 CCAA C[C@@H](CNS(=O)(=O)C1CC1)NCCC1(O)CCCC1 821344956 TXEMDJDJTQVJKO-NSHDSACASA-N 290.429 0.742 0 50 CCAA C[C@H](CN1CCN(C)CC1)N1CCC2(CCNCC2)C1 823789150 MTSUTEAIAVYSDE-OAHLLOKOSA-N 280.460 0.698 0 50 CCAA Cc1ccc(O)c(CN2C[C@H](O)[C@@H](N3CCCC3)C2)n1 825166300 URLYMSWJQKOMRP-ZFWWWQNUSA-N 277.368 0.737 0 50 CCAA CCCN1C[C@H](NC(=O)c2cc3ncccn3n2)CC1=O 584894680 QQFBBOCQZYVXLK-SNVBAGLBSA-N 287.323 0.470 0 50 CCAA C[C@H](CNC(=O)C1(C(=O)O)C(C)(C)C1(C)C)C(=O)O 585134785 JWBBXMMFZUQIEE-SSDOTTSWSA-N 271.313 0.960 0 50 CCAA CN(C)[C@H]1C[C@@H](NS(=O)(=O)c2ncc[nH]2)C12CCC2 952882170 JBJPDBWYIDAMHK-ZJUUUORDSA-N 284.385 0.561 0 50 CCAA O=C(NOC[C@H]1CCOC1)[C@@H]1CCCc2ccnn21 1875283410 RNAXTBKJHBBLSB-JQWIXIFHSA-N 265.313 0.845 0 50 CCAA O=C(NCCc1cc[nH]n1)[C@H]1CCCc2c[nH]nc21 1875278555 LEZDGOVXDPYQGT-NSHDSACASA-N 259.313 0.912 0 50 CCAA C[C@@H]1CN(C(=O)c2cc3c(=O)[nH]ccn3n2)C[C@H]1CCN 1875276745 XEHNGSJHDHBEIS-NXEZZACHSA-N 289.339 0.080 0 50 CCAA CNC(=O)C[C@@H]1CN(c2ccnc3cnccc23)C[C@H]1O 1875398447 QMBSGIDWWRUKGF-QMTHXVAHSA-N 286.335 0.563 0 50 CCAA NC(=O)C[C@@H]1CN(Cc2cccn3ccnc23)C[C@H]1O 1875400034 PMFKTEAFUDMMGU-VXGBXAGGSA-N 274.324 0.002 0 50 CCAA CCn1cc(C(=O)N[C@@H](C)CO)c(C2CCOCC2)n1 886088509 HUVOFPVNJVGZNX-JTQLQIEISA-N 281.356 0.908 0 50 CCAA CCn1cc([C@H](C)NC(=O)[C@@H]2CN(C)CCO2)cn1 1337251880 FRDXFDMGPYLLJS-JQWIXIFHSA-N 266.345 0.411 0 50 CCAA COc1ccc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)o1 1521815446 VMCYBYBTMGJLPI-SSDOTTSWSA-N 263.257 0.431 0 50 CCAA COC(=O)N1CCC[C@H]1C(=O)N1CC(OC(F)F)C1 1775996552 MUEZUGXHQWSLJH-QMMMGPOBSA-N 278.255 0.667 0 50 CCAA C=CC(=O)N1CCC[C@@H](N2C[C@@H](C)CS2(=O)=O)C1 1776006658 YXBOGMYZHDDZLZ-GHMZBOCLSA-N 272.370 0.445 0 50 CCAA CO[C@@H]1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C[C@H]1O 1468073602 DPLXIFQCVZQYFX-GHMZBOCLSA-N 276.296 0.098 0 50 CCAA CCS(=O)(=O)c1ccc(N2CC[C@@H](C(N)=O)C2)cc1 170604449 GKPRLJMBMKSDQB-SNVBAGLBSA-N 282.365 0.792 0 50 CCAA COc1cc(N2C[C@H](C)O[C@@]3(CCOC3)C2)ncn1 280283492 PWEHNBFGMNVPIB-GWCFXTLKSA-N 265.313 0.869 0 50 CCAA COCCn1ccc(C(=O)NC[C@@H]2CCCO2)n1 190373511 HOIQAHBXGXWZGV-JTQLQIEISA-N 253.302 0.438 0 50 CCAA C[C@@H]1NCC[C@@H]1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 582419074 IUWRBROMLNSJCY-KPXOXKRLSA-N 279.315 0.466 0 50 CCAA O=C(NCCc1ccccn1)[C@H]1CN2CCC[C@@H]2CO1 585120732 GFDZHKMXSLUEDM-ZIAGYGMSSA-N 275.352 0.604 0 50 CCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)c1ccnc(C2CC2)n1 659169928 MDLVTSXJARVGGL-WCBMZHEXSA-N 277.280 0.326 0 50 CCAA CCc1nccn1CCNC(=O)CCc1cn[nH]c1 952974645 WJOBZOMYASVJAO-UHFFFAOYSA-N 261.329 0.918 0 50 CCAA Cc1nnc(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)s1 1857669342 MTWPCRICKYGNFA-JOYOIKCWSA-N 283.353 0.770 0 50 CCAA CN1C(=O)[C@@H]2CCC[C@H]1CN(C(=O)C1(C)COC1)C2 1857686150 JTPYVWAQVUEPEV-MNOVXSKESA-N 266.341 0.492 0 50 CCAA O=C(CN1CCC[C@H](NCC(F)(F)F)C1)NC1CC1 1615587554 HDEBTRJLTIXXAV-JTQLQIEISA-N 279.306 0.881 0 50 CCAA O=C(NCc1cnc2n1CCOC2)[C@H]1NCC12CCCC2 1615555741 XOUBJUFVKNLRAD-CYBMUJFWSA-N 290.367 0.562 0 50 CCAA COc1cccc(C[C@@H]2CN(S(C)(=O)=O)CCO2)c1 11840571 XNYAOIRSWPAHHI-CYBMUJFWSA-N 285.365 0.898 0 50 CCAA O=C(O)CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 19773357 MZEUGDZGVVPJBH-SFYZADRCSA-N 257.673 0.979 0 50 CCAA Cc1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1 333897186 IDBOLZPQYXTXIP-UHFFFAOYSA-N 275.352 0.879 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)Cn2ncc3ccccc32)C1 238088330 OUKQDNDPVVBCHH-NSHDSACASA-N 273.292 0.969 0 50 CCAA CC(C)n1ccc(CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 668992873 WXNUZQPPWWSLCZ-JTQLQIEISA-N 265.317 0.104 0 50 CCAA O=C(CN1CCOCC1)NCc1nc2cc(F)ccc2[nH]1 137346662 PIHUJGRCGYXMSP-UHFFFAOYSA-N 292.314 0.650 0 50 CCAA COCCCOC1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 673953226 VHFAPSSOVYNGAJ-LLVKDONJSA-N 293.367 0.779 0 50 CCAA O=C(c1ccc(-n2ccnn2)cc1)N1CCC[C@@H]1CO 153992164 VJFCDVJYPVFXMG-CYBMUJFWSA-N 272.308 0.864 0 50 CCAA O=C(O)c1cccc(CC(=O)N2CCS(=O)(=O)CC2)c1 262100809 DKYDPSTWEADJHK-UHFFFAOYSA-N 297.332 0.184 0 50 CCAA CCCCNC(=O)[C@H](C)N1CCO[C@@H](Cn2ccnn2)C1 585116236 MXRKVFIUTVXGFQ-QWHCGFSZSA-N 295.387 0.284 0 50 CCAA COc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)cn1 1704314238 NMTKCXJGSKJSCB-OLZOCXBDSA-N 291.351 0.379 0 50 CCAA CCn1nc(C)c(CNC(=O)C[C@@](C)(O)C2CC2)n1 819601607 GMVYDUCTHCBZLY-CYBMUJFWSA-N 266.345 0.774 0 50 CCAA CC[C@@H]1CN([C@@H](C)C(=O)NC(C)C)CCN1C[C@H](C)O 252506810 VPLQGDSXPWEKRT-MELADBBJSA-N 285.432 0.677 0 50 CCAA NC[C@@H]1CN(C(=O)Cc2cn3ccsc3n2)CCCO1 582724987 KJVHIWQKUSENHI-LLVKDONJSA-N 294.380 0.515 0 50 CCAA Cc1cc(NC(=O)C(=O)NC[C@@]2(CO)CC2(C)C)n(C)n1 2325776110 NFBBGWGLIKQEKI-CQSZACIVSA-N 294.355 0.192 0 50 CCAA CO[C@]1(CN)C[C@H](C(=O)NCc2cnn3ccccc23)C1 2325794928 XBWRJXYPXFZVDM-WGRBQBNCSA-N 288.351 0.704 0 50 CCAA C/C=C/C1=C(Cl)[C@H](O)[C@H](O)[C@]1(Cl)C(=O)OC 2332922388 ZRPNJWJXWPDDRB-XFUCVFLYSA-N 267.108 0.941 0 50 CCAA COc1ccc(N(CC(N)=O)S(C)(=O)=O)cc1Cl 443506 MGPYKDBEFQBXFH-UHFFFAOYSA-N 292.744 0.600 0 50 CCAA Cn1nnc(NC(=S)NC(=O)c2cccs2)n1 2383496 VBCXQCGQWCFUGG-UHFFFAOYSA-N 268.327 0.398 0 50 CCAA COc1cc(NC[C@H](O)CS(=O)(=O)O)cc(OC)c1 4517647 AOTXQRRUWFSXCN-VIFPVBQESA-N 291.325 0.364 0 50 CCAA O=C(O)CCCC(=O)N1CCN(C(=O)c2ccco2)CC1 6727104 WQJHUGKCEANMCG-UHFFFAOYSA-N 294.307 0.819 0 50 CCAA CCS(=O)(=O)N1CCC(C(=O)NCC(C)C)CC1 8477068 HVVGDZUIMGFDCM-UHFFFAOYSA-N 276.402 0.820 0 50 CCAA Cc1occc1C(=O)N[C@@H](CCC(=O)O)C(=O)O 20295947 MZLVQXFNQJPFNH-QMMMGPOBSA-N 255.226 0.636 0 50 CCAA CC(C)(NC(=O)c1cccs1)C(=O)NCc1ncn[nH]1 20773720 GJISVBWOAPSLOL-UHFFFAOYSA-N 293.352 0.691 0 50 CCAA Cn1cc(N2CC[C@H](NC(=O)c3ccncc3)C2=O)cn1 117697600 OAOLIBSVRGMVHI-LBPRGKRZSA-N 285.307 0.350 0 50 CCAA C[C@@H]1CN(C[C@@H](O)c2ccccc2)C[C@H](CO)O1 248878634 WLOFNQGLIRLDRB-MRVWCRGKSA-N 251.326 0.802 0 50 CCAA COCCC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328634285 TYTKSJAXQNBCFI-JTQLQIEISA-N 252.318 0.261 0 50 CCAA CC(C)C[C@@H]1C(O)=NCCCN1Cc1nnn(C)n1 328792446 RJBXEIDKMCNIAX-SNVBAGLBSA-N 266.349 0.787 0 50 CCAA CC(C)(C(=O)N1CCOC[C@H](O)C1)n1cccc1 77484688 NLPXEMVPWTYECP-LLVKDONJSA-N 252.314 0.443 0 50 CCAA C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H](C2CC2)O1 330044978 HXIDKFDBXSFQDB-KGYLQXTDSA-N 289.397 0.995 0 50 CCAA O=C(O)c1ccc(NCC2(O)CCOCC2)nn1 236464965 FNZRGPYYCDQPFW-UHFFFAOYSA-N 253.258 0.128 0 50 CCAA Cn1nnc2ccc(C(=O)N3CC[C@](O)(C4CC4)C3)cc21 365150946 TUSJXQOFBKIARY-OAHLLOKOSA-N 286.335 0.955 0 50 CCAA C[C@@]1(C(=O)NCc2ccc(CO)c(F)c2)CCCNC1=O 365266698 JJZCSJJMSARMAQ-OAHLLOKOSA-N 294.326 0.851 0 50 CCAA O=C(O)[C@H]1CN(C(=O)/C=C/c2ccccc2)CCN1 71479590 CGGWEKUHXNLNSY-NNNHXZLVSA-N 260.293 0.585 0 50 CCAA CCN1CCO[C@H](C(=O)NCc2cnn3ccccc23)C1 367729237 OSLASFVOYSAOBB-AWEZNQCLSA-N 288.351 0.671 0 50 CCAA Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)O)no1 128206111 XCTXKEOPFRXTDN-MRVPVSSYSA-N 254.242 0.299 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCCNCC1 237717561 WZDZOBPISQMELX-UHFFFAOYSA-N 266.345 0.238 0 50 CCAA CCn1ncnc1CNC(=O)C(C)(C)N1CCOCC1 338268590 XYJDJWKCFFDSPL-UHFFFAOYSA-N 281.360 0.025 0 50 CCAA Cc1csc(CCCNC(=O)CS(C)(=O)=O)n1 220323531 UQCAPHMIHSDDMU-UHFFFAOYSA-N 276.383 0.545 0 50 CCAA O=C(N[C@@H]1CN[C@H](C(=O)O)C1)c1cc(Cl)c[nH]1 426489955 CREAPQGBIREWPW-XPUUQOCRSA-N 257.677 0.213 0 50 CCAA O=C(NCCCc1nn[nH]n1)N1CCC(F)(F)CC1 426504148 YCASGSXKXSGHKF-UHFFFAOYSA-N 274.275 0.573 0 50 CCAA Cc1nc(-c2ccc(-c3nnn(C)n3)cc2)n(CC(=O)O)n1 97172846 WPDSDJUWVYCCJY-UHFFFAOYSA-N 299.294 0.529 0 50 CCAA CN1CCN(C(=O)Cc2cscn2)CC12CCNCC2 97137127 JYWKFPUKFCUMCX-UHFFFAOYSA-N 294.424 0.582 0 50 CCAA Cc1ccc(-c2noc([C@@H]3CCC(=O)NC3)n2)nn1 91915187 JHTSEPSOKWJNCX-MRVPVSSYSA-N 259.269 0.829 0 50 CCAA CCc1cc(C(=O)NCCNC(=O)c2cccnc2)no1 97447107 YEUUORUMCKTVRC-UHFFFAOYSA-N 288.307 0.792 0 50 CCAA N#Cc1cc(CN2CCC([C@@H](O)C(N)=O)CC2)ccc1F 299747473 DCQPZIDATFGLCE-CQSZACIVSA-N 291.326 0.756 0 50 CCAA Cc1noc(C)c1C[C@@H](C)C(=O)N1CCOC[C@@H]1C(=O)O 299751020 PEHPEFZEQZXNIF-PRHODGIISA-N 296.323 0.782 0 50 CCAA O=C(O)[C@H]1COCCN(C(=O)Cc2ccccc2O)C1 700397258 ODICTNGUKCNHTI-LLVKDONJSA-N 279.292 0.494 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CCC[C@@H](CN)C1 534661983 GNRJHPYGEOMWSI-NSHDSACASA-N 286.401 0.571 0 50 CCAA Cc1noc(C)c1C(=O)NCc1nnc(N)s1 534675385 HUHCCLCUEGPKIQ-UHFFFAOYSA-N 253.287 0.655 0 50 CCAA Cc1ccc2[nH]c(CNC(=O)CCn3cnnn3)nc2c1C 299800223 UYHGGINGPMBDII-UHFFFAOYSA-N 299.338 0.873 0 50 CCAA Cc1nccn1C[C@@H](C)NCCSc1nnnn1C 821495567 HXYQHNGJOLGTSO-SECBINFHSA-N 281.389 0.485 0 50 CCAA CCOC(=O)N1CC[C@@H](NCCc2nc(CC)no2)C1 584899440 OXBGFGHCUOIQRN-SNVBAGLBSA-N 282.344 0.995 0 50 CCAA O=C(NCCN1CCCC[C@@H]1CO)c1cccnc1O 828710989 UVUSFPIFUBICNC-LLVKDONJSA-N 279.340 0.364 0 50 CCAA CCOCCC(=O)N1CCN([C@@H]2CN3CCC2CC3)CC1 584894046 OKVUOJXIQIUPNK-OAHLLOKOSA-N 295.427 0.651 0 50 CCAA Nc1nc(CNC(=O)C[C@@H]2CCCOC2)cs1 584900792 VGAQRDDKNVEIOO-QMMMGPOBSA-N 255.343 1.158 0 50 CCAA CN1CCC(O)(CNC(=O)C[C@H]2CCCCN2C)CC1 584903708 WKXZLHGGQMAWSY-CYBMUJFWSA-N 283.416 0.434 0 50 CCAA CCCn1nccc1C(=O)NC[C@H]1CC(=O)N(C)C1 584888240 VRFWAOFCGXLYOB-SNVBAGLBSA-N 264.329 0.501 0 50 CCAA COCCN(C)CC(=O)N1CC[C@@H](O)CC(C)(C)C1 670445403 LQIQAWFWMHBBGG-GFCCVEGCSA-N 272.389 0.574 0 50 CCAA C[C@@H](NC(=O)c1nc[nH]n1)c1ccc2c(c1)CC(=O)N2C 269402425 BUBWMIHSTKNNPR-MRVPVSSYSA-N 285.307 0.815 0 50 CCAA CN(CC1(O)CCCC1)C(=O)c1cc(C(N)=O)c[nH]1 269870376 FUTPWTLZLFVEGI-UHFFFAOYSA-N 265.313 0.491 0 50 CCAA O=C(O)CC[C@H](O)C(=O)N[C@H](CCCO)c1ccccc1 1875330285 WFUSUMXGUWGKMA-OLZOCXBDSA-N 295.335 0.842 0 50 CCAA CCn1nnc(C)c1Cn1cc([C@H]2CCOC2)nn1 881382687 OSZGSHDUSRTUHK-JTQLQIEISA-N 262.317 0.750 0 50 CCAA C[C@@H](NC(=O)C[C@@H]1CCCO1)c1nn(C)cc1O 1304545391 SKWABKZMMDNUHH-BDAKNGLRSA-N 253.302 0.872 0 50 CCAA O=C(NCc1nc(O)n[nH]1)C1(c2ccccn2)CC1 1176806482 JMJKPLMNPJTXTM-UHFFFAOYSA-N 259.269 0.253 0 50 CCAA CC[C@H](O)CN1CCN(C(=O)C2(N)CCCCC2)CC1 888096129 LMAAFFXOMACIJI-ZDUSSCGKSA-N 283.416 0.563 0 50 CCAA COCC1(O)CCN(C(=O)[C@@H]2O[C@@H](C)C[C@H]2C)CC1 407967211 RIPRLNZNXLQEAN-GRYCIOLGSA-N 271.357 0.800 0 50 CCAA CCN(CC)C(=O)[C@@H]1CSCN1S(=O)(=O)C1CC1 408237616 TVWPJWIFFWCGLD-JTQLQIEISA-N 292.426 0.722 0 50 CCAA Cc1nnc(C(=O)N2CCNC(=O)[C@H]2CC(C)C)s1 408514313 GHWGEKVTSQDSBL-SECBINFHSA-N 282.369 0.833 0 50 CCAA CC[C@@H](SC)C(=O)NN1C(=O)N[C@](C)(CC)C1=O 278541332 AESBXKZYDCKOSF-RDDDGLTNSA-N 273.358 0.880 0 50 CCAA CNS(=O)(=O)CCNC(=O)c1csc(C2CC2)n1 170603572 AJSHDRIRTGAHPM-UHFFFAOYSA-N 289.382 0.300 0 50 CCAA O=Cc1cnc(N2CCC(C3OCCO3)CC2)nc1 585118532 SIRDSNCHNICUAX-UHFFFAOYSA-N 263.297 0.878 0 50 CCAA C/C=C/[C@@H](O)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 585121081 FKWZMCIOUOKECK-WVSCJACDSA-N 280.368 0.688 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1CC1=CCCOC1 643762984 OXINIRJMJRZEPK-CYBMUJFWSA-N 254.330 0.299 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ccncc1 643852897 OCHSRYIHHGTDKB-ZDUSSCGKSA-N 264.281 0.787 0 50 CCAA COC[C@]1(C(=O)O)CCCN1CC(=O)NCC(F)(F)F 643879343 QBRHWQIHPFNZAO-JTQLQIEISA-N 298.261 0.231 0 50 CCAA CCN1CCN(C(=O)NCCn2ccnc2)CC1 193209199 ZNPUZZXVMNOFRL-UHFFFAOYSA-N 251.334 0.230 0 50 CCAA O=c1cc(CN2CCC[C@@H](n3ccnn3)C2)[nH]c2ccnn12 568503920 KMTAKQQOJQLWCA-GFCCVEGCSA-N 299.338 0.451 0 50 CCAA Cn1cc(NC(=O)N2CCC[C@H]2[C@@H]2CCCO2)nn1 569403956 JZLYUAJPVFPUON-UWVGGRQHSA-N 265.317 0.990 0 50 CCAA COc1c[nH]c(C(=O)N2CCC(C3(O)CC3)CC2)cc1=O 1362642647 JILDHDATLVRDOG-UHFFFAOYSA-N 292.335 0.761 0 50 CCAA Cc1nncn1CCN1CCC[C@@]2(CC1)CN(C)C(=O)O2 1529133668 VFXBQMPCSNDZSI-CQSZACIVSA-N 293.371 0.893 0 50 CCAA Nc1cc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)[nH]n1 1704303677 NPONYNVYTWQALB-ZYHUDNBSSA-N 287.323 0.374 0 50 CCAA NC1(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)CCCC1 1704302078 AWWAEPCURWVXOD-DGCLKSJQSA-N 290.367 0.110 0 50 CCAA O=C(O)CN1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 212907286 JDTWOYSAVFWRNY-MNOVXSKESA-N 279.292 0.650 0 50 CCAA CNc1ccnc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)n1 1704312764 YXAXAOPLLVSACE-IUODEOHRSA-N 291.399 0.801 0 50 CCAA CCN(C)C[C@@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 524698684 AWKYNCYHFQDBDJ-KBPBESRZSA-N 284.400 0.982 0 50 CCAA O=C(NCCn1ccnn1)c1cncc(Br)c1 136341192 WIQFPGVBYGZOCH-UHFFFAOYSA-N 296.128 0.866 0 50 CCAA COc1cccc(OC)c1S(=O)(=O)N[C@@H](C)C(=O)O 262355633 BTGDJNMUTSUMRO-ZETCQYMHSA-N 289.309 0.455 0 50 CCAA Cc1ccc([C@@H](N)C(=O)N2CCC(O)(CCN)CC2)cc1 1615056438 XQURMIHLSXOYMV-CQSZACIVSA-N 291.395 0.697 0 50 CCAA Cc1nccc([C@@H](C)NC(=O)C2(S(C)(=O)=O)CCC2)n1 1615578667 OGCCGICQLULYQS-SECBINFHSA-N 297.380 0.930 0 50 CCAA O=C(O)CN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 5427798 HPJNUJAVYOHFGY-JTQLQIEISA-N 260.249 0.460 0 50 CCAA CN(C)Cc1nc(C(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)cs1 1857668446 JBZNBMKXPRFNLV-DTWKUNHWSA-N 294.380 0.165 0 50 CCAA O=C1NCCNCCCOc2cccc(c2)[C@H]2CNC[C@H]12 1857726307 LCEDBGUAZFPQCU-CABCVRRESA-N 289.379 0.478 0 50 CCAA CC(=O)N1CC[C@H](C(=O)NCc2ccc(C(=O)O)cc2)C1 236580384 DIWFBHPASBRICT-ZDUSSCGKSA-N 290.319 0.869 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H](NC(N)=O)C(C)(C)C 375130319 IJGUOKDCVBPLOE-WOPDTQHZSA-N 296.415 0.765 0 50 CCAA COc1ccc([C@@H]2CCCN2Cc2nc(=O)n(C)[nH]2)nc1 934343838 QKVMXOPGUOWBSV-LBPRGKRZSA-N 289.339 0.849 0 50 CCAA Cc1[nH]nc2c1CCCN2Cc1nnnn1C1CC1 934307019 VYKUYURENZDOSL-UHFFFAOYSA-N 259.317 0.992 0 50 CCAA Cc1nn(C)c(C)c1CC(=O)NC1(C(=O)O)CC1 203652328 RDNCOYKHSDGVJL-UHFFFAOYSA-N 251.286 0.313 0 50 CCAA C[C@H]1C[C@@H](C)CCN(Cc2nc(N)nc(N)n2)C1 225445410 QNEQIMMOVHRQSR-IUCAKERBSA-N 250.350 0.904 0 50 CCAA CN(C)C[C@@H]1CN(C[C@@H](O)c2ccccc2)CCO1 229517604 GFIJNCFLJXUSBM-HUUCEWRRSA-N 264.369 0.982 0 50 CCAA c1cc2nncn2nc1NCCCN1CCOCC1 20861365 IMAPZGFFRXJLPH-UHFFFAOYSA-N 262.317 0.259 0 50 CCAA O=C(O)CN1CCC(NC(=O)CCc2cn[nH]c2)CC1 426575011 LRGSHDDGMCRCDE-UHFFFAOYSA-N 280.328 0.008 0 50 CCAA Cc1ccc(S(=O)(=O)NC[C@@]2(O)CCCNC2)s1 534662655 SXDAUUSRYHLYOJ-LLVKDONJSA-N 290.410 0.449 0 50 CCAA Cc1[nH]nc2c1CN(C(=O)c1ccc(=O)n(C)c1)CC2 584884561 ZNMPDMBZTAYBAI-UHFFFAOYSA-N 272.308 0.615 0 50 CCAA O=C(Cn1ccnc1)NCc1ccc2c(c1)OCO2 10809316 SEEAMWSXZDDNLE-UHFFFAOYSA-N 259.265 0.928 0 50 CCAA Cn1ncc2ncc(C(=O)N3C[C@H]4C(=O)OC[C@H]4C3)cc21 2100534575 OEZLIINMRKQKLL-NXEZZACHSA-N 286.291 0.213 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1ccc(F)cn1)C2 2100555385 TWWNUGSMCAZFCK-HZMBPMFUSA-N 280.299 0.956 0 50 CCAA O=C(O)[C@H]1C[C@@H](O)CN1C(=S)Nc1ccccc1 174765 SXSUDRGUXPALIB-NXEZZACHSA-N 266.322 0.903 0 50 CCAA biogenic CC[C@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O 2172627 YUUGKJGNJNCMLU-TVYUQYBPSA-N 293.367 0.278 0 50 CCAA Cc1ccn2c(=O)c(C(=O)N[C@@H](C)c3ncn[nH]3)cnc2c1 20472650 PCJAIEBRJOHIQI-VIFPVBQESA-N 298.306 0.612 0 50 CCAA Cn1nnnc1CN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 331615260 OBJYIIQLWFPGJU-SKDRFNHKSA-N 295.293 0.796 0 50 CCAA O=C(NCCn1ncnn1)c1cc(O)nc2ccccc12 353043603 LSDKKSRBSTZBEM-UHFFFAOYSA-N 284.279 0.357 0 50 CCAA O=C(Nc1ccn([C@H]2CCNC2)n1)[C@H]1CCCS1 328617386 CQPSQAZVMWSFIY-VHSXEESVSA-N 266.370 1.252 0 50 CCAA C[C@@H](CNC(=O)c1nc2ncccn2n1)Oc1cccnc1 67724326 OMMLFHSBRHZDPT-JTQLQIEISA-N 298.306 0.717 0 50 CCAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)c2cscn2)C1 329040894 SQNSFBAFNMMGDG-APPZFPTMSA-N 279.325 0.863 0 50 CCAA CC(C)N1CCN(Cc2ccon2)C[C@@H]1CCO 71755408 UNJLSJLTEKKHJS-ZDUSSCGKSA-N 253.346 0.952 0 50 CCAA CN1CCN(c2cc(C(=O)O)ccc2S(C)(=O)=O)CC1 42684465 VZCBSTYAURPPKO-UHFFFAOYSA-N 298.364 0.540 0 50 CCAA in-vitro CC[C@H]1CC[C@H](C(=O)NC[C@@H](C)S(N)(=O)=O)CC1 331245552 LUJWSELQLAWSJA-GMTAPVOTSA-N 276.402 0.996 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@]1(C)O 219561349 HJXPGHYDBOHHJM-KOLCDFICSA-N 256.327 0.473 0 50 CCAA C[C@H]1CC(NC(=O)N2CCNC(=O)CC2)C[C@H](C)O1 155066423 ZLKWOMRMMJTNAQ-UWVGGRQHSA-N 269.345 0.474 0 50 CCAA COCc1noc(CCNC(=O)Cc2ccccc2O)n1 219658028 JBIKHQINEDPJAP-UHFFFAOYSA-N 291.307 0.823 0 50 CCAA CCC(=O)N1CCN(C(=O)C2(O)CCCCC2)C1 333302159 QFZCURCCQPAYOJ-UHFFFAOYSA-N 254.330 0.720 0 50 CCAA COCc1nc(C)cc(N2CCC[C@H]3C(=O)NC[C@H]32)n1 366872673 UXNDZDAPENLQCJ-GHMZBOCLSA-N 276.340 0.646 0 50 CCAA CCOC1CC(CN2CCN3C(=O)N(C)C(=O)[C@H]3C2)C1 367061691 HVSXDRFIXKKHIY-HTAVTVPLSA-N 281.356 0.380 0 50 CCAA Cc1noc(C)c1CCCNC(=O)c1cn(CCN)nn1 77354049 BOIOJHYOIDWNFX-UHFFFAOYSA-N 292.343 0.204 0 50 CCAA CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC(F)(F)CO 368765045 LMOJHRHOAAWMBP-LBPRGKRZSA-N 298.289 0.708 0 50 CCAA Cn1ccnc1C[C@H]1CCCN(C(=O)[C@H]2CCCN2)C1 237889692 ICLNZPMVDAVJDJ-CHWSQXEVSA-N 276.384 0.953 0 50 CCAA COCCn1ccc(C(=O)N2CCOC[C@H](C)C2)n1 373687026 CKRBTNAJRTYSRJ-LLVKDONJSA-N 267.329 0.638 0 50 CCAA COCCNc1nc2c(c(NCCOC)n1)CCNCC2 72418828 UJALBPLILCFEQK-UHFFFAOYSA-N 295.387 0.281 0 50 CCAA O=C(NCc1nn[nH]n1)c1cccc([C@H]2CCCNC2)c1 215728230 XBVREOLBLBUCKQ-LBPRGKRZSA-N 286.339 0.597 0 50 CCAA CCc1c(C(=O)N2CC3(CN(C)C(=O)O3)C2)ccn1C 496485358 FKQDPHSSWAYWKL-UHFFFAOYSA-N 277.324 0.864 0 50 CCAA CCc1nc(N2CCC(NS(C)(=O)=O)CC2)ncc1C 426677372 DRBLRVMPOARGGM-UHFFFAOYSA-N 298.412 0.865 0 50 CCAA CC(C)c1cc(C(=O)NCCN2CCOCC2)n(C)n1 82134482 LKJRRCLXEXQYRW-UHFFFAOYSA-N 280.372 0.606 0 50 CCAA COc1cccc(CNC(=O)c2c[nH]nn2)c1OC 194161439 WGFWMXFYCAVIBA-UHFFFAOYSA-N 262.269 0.752 0 50 CCAA C[C@@H](C(=O)NCc1nc2ccc(F)cc2[nH]1)n1cnnn1 221157876 SWTLEGHNSGFEKY-ZETCQYMHSA-N 289.274 0.566 0 50 CCAA CCN1C[C@H](C(=O)NCCc2nnc(C)s2)CC1=O 95385401 MJIBNVFRRTXXHL-SECBINFHSA-N 282.369 0.374 0 50 CCAA COC(=O)[C@@H]1C[C@H](C(=O)OC)N1C(=O)OC(C)(C)C 96898668 OOGSYZYGXRGUJB-OCAPTIKFSA-N 273.285 0.710 0 50 CCAA c1ccc(COCc2cn(C[C@H]3CNCCO3)nn2)cc1 95370632 QZSPVNGJLCSLOA-OAHLLOKOSA-N 288.351 0.983 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCCC[C@@H]2CN)cn1C 426478250 YZLKXUKVGZNLDN-LLVKDONJSA-N 263.341 0.647 0 50 CCAA CNC(=O)NCC(=O)NCc1ccc(OC)cc1C 534919632 JBHNVPYXAAARDB-UHFFFAOYSA-N 265.313 0.549 0 50 CCAA Cc1n[nH]c(C)c1-c1cc(N2CCN(C)CC2)nc(N)n1 97831150 KYTFQJLOVFWDJL-UHFFFAOYSA-N 287.371 0.818 0 50 CCAA CCN(CCOC)[C@H](C)C(=O)Nc1nncs1 244899909 ZSQZOWVKRWPZKW-MRVPVSSYSA-N 258.347 0.833 0 50 CCAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cc[nH]n1 244633653 GGYFDJQDIVSPRQ-SCRDCRAPSA-N 286.335 0.917 0 50 CCAA CC(C)[C@@H](CO)NC(=O)[C@@H](c1ccccc1)n1cnnn1 252479596 BIHPNHCDPUYUNN-CHWSQXEVSA-N 289.339 0.396 0 50 CCAA C[C@H](OCC1CC1)C(=O)N1CCO[C@@H](CC(=O)O)C1 299748245 GOLJMZOKYYFGDA-ONGXEEELSA-N 271.313 0.504 0 50 CCAA Nc1nc(NCCc2ncc[nH]2)cc([C@H]2C[C@@H](N)C2)n1 252528043 DYWYXNKRWCWSEW-DTORHVGOSA-N 273.344 0.641 0 50 CCAA CCN(Cc1nc(-c2ccncc2)no1)[C@H]1COC[C@@H]1O 252488533 IUHHWAQTYGBTBR-RYUDHWBXSA-N 290.323 0.713 0 50 CCAA Cc1nc(C)n(CCCNC(=O)N[C@H](C(N)=O)C(C)C)n1 534632063 PVJVENQXJGNFBP-NSHDSACASA-N 296.375 0.094 0 50 CCAA O=C(NCCc1nc2c(s1)CCC2)[C@@H]1C=CCN1 534591471 VQRVLVWGWWBQMC-JTQLQIEISA-N 263.366 0.819 0 50 CCAA CN(Cc1nc2ccccc2[nH]1)C(=O)CCS(C)(=O)=O 613332783 YJACRHULFGSLBZ-UHFFFAOYSA-N 295.364 0.956 0 50 CCAA CN(C)C(=O)CN[C@H](CNC(=O)OC(C)(C)C)C1CC1 185229226 QWXZTFNBSJOHOF-LLVKDONJSA-N 285.388 0.968 0 50 CCAA Nc1nc(N[C@H]2C[C@@H](C(=O)O)C2)cc([C@H]2CCOC2)n1 299802567 ZDVXUZVIWKCOML-XHNCKOQMSA-N 278.312 0.838 0 50 CCAA CCN1CCN(CC(=O)NC[C@@H]2CCCCN2C)CC1 823112843 IYNYTOLFWYUTFC-AWEZNQCLSA-N 282.432 0.224 0 50 CCAA O=C(NN1C[C@@H](C(=O)O)CC1=O)c1ccccc1F 585122793 JYZLVESLVBPXCX-ZETCQYMHSA-N 266.228 0.404 0 50 CCAA CCc1noc(CCNC(=O)CCc2csc(N)n2)n1 584892080 IVYSCPWBRGNVMS-UHFFFAOYSA-N 295.368 0.962 0 50 CCAA COCCN1CC[C@@H](CN(C)c2ncccc2C(N)=O)C1 670467802 KKEFSAXNYOPIDT-LBPRGKRZSA-N 292.383 0.585 0 50 CCAA CNC(=O)[C@@H](C)CN(C)c1nc(OC)ncc1Cl 269068777 YKUOXCGPAVATMS-ZETCQYMHSA-N 272.736 0.957 0 50 CCAA CCSCC(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076015764 PRDJALLNODYBCG-MNOVXSKESA-N 282.369 0.703 0 50 CCAA O=C(O)[C@@H]1CC[C@H](C(=O)NCCCOC2CCCC2)N1 1775960190 XGFGSQKUPSGHNQ-NEPJUHHUSA-N 284.356 0.657 0 50 CCAA CNc1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@H]2COC)ccn1 1565505758 FHXKHGMFBZFJJR-UVLXDEKHSA-N 291.351 0.903 0 50 CCAA O=C(O)c1coc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)n1 1565510447 TVNFITRBIODBMP-BDAKNGLRSA-N 280.280 0.915 0 50 CCAA CSCc1ccc(N2CC[C@H](N)[C@@H](O)C2)nc1 1565528668 XVMDBVXHTKJWGT-QWRGUYRKSA-N 253.371 0.843 0 50 CCAA COc1ncccc1CN1CC[C@@](O)(c2cnn[nH]2)C1 583618389 SPPHAJBXJMNUPI-ZDUSSCGKSA-N 275.312 0.302 0 50 CCAA CCc1nnc(Cn2cnc3c(cnn3C)c2=O)s1 680023588 NXELHVRPKWYCRP-UHFFFAOYSA-N 276.325 0.592 0 50 CCAA NC(=O)Cn1cc(NC(=O)c2n[nH]c3c2CCCC3)cn1 193601353 URAPYXMDZSBCAT-UHFFFAOYSA-N 288.311 0.223 0 50 CCAA CN1CCN(C)[C@@H](CNc2nccnc2N(C)C)C1 1506399600 OXQGDLPAQIPDLH-NSHDSACASA-N 264.377 0.200 0 50 CCAA O=C([C@H]1CC2CCN1CC2)N1CCc2c(O)ncnc2C1 1800413386 FJIKPLYNNVIURR-CYBMUJFWSA-N 288.351 0.551 0 50 CCAA NC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCCNC1 157404722 ALJPWPHQKGKCFV-QWRGUYRKSA-N 268.361 0.035 0 50 CCAA Cn1cnnc1CNC(=O)[C@H]1NCCOc2ccccc21 1615615971 VUTKLRLTGXPCIC-ZDUSSCGKSA-N 287.323 0.155 0 50 CCAA Cn1ccnc1CNC(=O)[C@@H]1NCCOc2ccccc21 1615613806 BWQUQLYKJHIGOG-CQSZACIVSA-N 286.335 0.760 0 50 CCAA CCn1nc(C)c(CNC(=O)[C@H](C)NC(=O)C2CCC2)n1 1615045349 KTPMIADNAZFGFI-JTQLQIEISA-N 293.371 0.527 0 50 CCAA Nc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)CC(=O)N2 16994521 BZDYQNRDSNGIBV-QMMMGPOBSA-N 274.255 0.965 0 50 CCAA Cc1ccc2ncnc(N3CC[C@H]4OCC(=O)N[C@H]4C3)c2n1 1857699972 GVQXTDTWEFUGNV-NWDGAFQWSA-N 299.334 0.427 0 50 CCAA CC(=O)N1C[C@@H]2C[C@@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 1875276201 DHFXMYLJAPLQNR-TVQRCGJNSA-N 292.364 0.644 0 50 CCAA O=C(NCCc1ncc[nH]1)[C@H]1NCCOc2ccccc21 1646741986 JYNNUHFSIOEPKF-AWEZNQCLSA-N 286.335 0.792 0 50 CCAA C[C@H]1CN(C(=O)Cn2cnccc2=O)CC(C)(C)O1 901506792 AWPULVLJJDZVFY-JTQLQIEISA-N 265.313 0.269 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)NC1CCC(C(=O)O)CC1 236815827 BDQUODCPYXASMA-MCIGGMRASA-N 282.340 0.757 0 50 CCAA CCc1nc(S(=O)(=O)NC[C@@H]2CCN(CC)C2)c[nH]1 70420880 AZRBLANDFLTVAD-JTQLQIEISA-N 286.401 0.592 0 50 CCAA Cn1nnnc1CN1CCC[C@H](N2CCCC2)CC1 371690602 HARXTWNLGLJERO-LBPRGKRZSA-N 264.377 0.660 0 50 CCAA O=C(Cc1cnn(-c2ccccc2)n1)NO[C@H]1CCOC1 2325733505 YPCPNXSYJXEJMO-ZDUSSCGKSA-N 288.307 0.647 0 50 CCAA C[C@@H]1CN(C(=O)C(=O)N2C3CCC2(C)CC3)CCN1 2325774444 BAKDZYWZWBRGRJ-CDWSIMAYSA-N 265.357 0.350 0 50 CCAA Cc1ncc(/C=C/C(=O)NC[C@@H]2CO[C@@H](CN)C2)s1 2325786567 XZANHJUAQMKRFF-WUNPDAOYSA-N 281.381 0.945 0 50 CCAA Cc1ccc(N[C@H](C(N)=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 619536 OQEXPOXNCRKTCE-NSHDSACASA-N 288.307 0.319 0 50 CCAA Cn1nnc2cc(C(=O)N3CC(c4cccnc4)C3)cnc21 72166087 AUKCLRYUEPTUNH-UHFFFAOYSA-N 294.318 0.998 0 50 CCAA OCc1cn(CC2CCN([C@H]3CCSC3)CC2)nn1 20206380 UXRYDKPDVDOPHL-ZDUSSCGKSA-N 282.413 0.988 0 50 CCAA C[C@H](N[C@@H]1CCN(C)C1=O)C1(N2CCOCC2)CCCC1 126033531 YQPZUDBHIXAIGZ-UONOGXRCSA-N 295.427 0.840 0 50 CCAA Nc1nccnc1C(=O)Nc1n[nH]c(-c2ccccn2)n1 358893082 CBDZYHCAMSPHHM-UHFFFAOYSA-N 282.267 0.491 0 50 CCAA NC(=O)C1(C(=O)N2CC(Oc3ccc(F)cc3)C2)CC1 215742222 IPTILKZCMODSGO-UHFFFAOYSA-N 278.283 0.681 0 50 CCAA CN(C)C(=O)NCC(=O)N[C@H]1CC[C@@H]2CCC[C@@H]21 77393710 RPXDBLJDVCUTDM-DCAQKATOSA-N 253.346 0.953 0 50 CCAA CN1C[C@]2(CCCN(c3cc(N)ncn3)C2)OC1=O 72447181 KNBPGLFMGAPGPP-LBPRGKRZSA-N 263.301 0.480 0 50 CCAA O[C@]1(Cn2ccnn2)CCCN(CCn2cccn2)C1 284472351 DRVRYOMOYAJSNJ-CYBMUJFWSA-N 276.344 0.002 0 50 CCAA CCOC1(C)CCN(c2ccc(C(N)=O)nn2)CC1 291683214 FLNFYABTZAKSGC-UHFFFAOYSA-N 264.329 0.971 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2sc(N)nc2C)[C@@H]2CCO[C@@H]21 223137194 ZBWIYDKMUCIOOK-XKNYDFJKSA-N 297.380 0.813 0 50 CCAA CC(C)(C(=O)N1CCO[C@@H](C(=O)O)C1)n1cccc1 426535181 OJUZGPWPZCSTBW-SNVBAGLBSA-N 266.297 0.535 0 50 CCAA O=C(O)[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)CCO1 178280780 QXWPYUCISRYLJS-FMBMQGQPSA-N 280.255 0.546 0 50 CCAA CCOCC(=O)N1CCN(c2cccc(OC)c2)C(=O)C1 82091430 YSBYRNIKBAJUDS-UHFFFAOYSA-N 292.335 0.907 0 50 CCAA COCCCNC(=O)c1cn(C(C)C)cc(C(=O)O)c1=O 426486544 XTGCNQADSNXPDB-UHFFFAOYSA-N 296.323 0.894 0 50 CCAA CN(CCn1cccn1)C(=O)c1ccccc1-c1nnn[nH]1 97492498 SXJSALVDEHNGMZ-UHFFFAOYSA-N 297.322 0.835 0 50 CCAA CN1C[C@H](C(=O)NCCc2nc3ccccc3o2)CC1=O 426612510 DZPIGFTWQXJNJH-SNVBAGLBSA-N 287.319 0.965 0 50 CCAA Cc1nc(C2CCN(C(=O)CN3CCCC3=O)CC2)no1 95511348 OUPHYRQIYHXXOE-UHFFFAOYSA-N 292.339 0.706 0 50 CCAA Cn1nc(CO)c2c1CCN(Cc1ccncc1)C2 97570805 VNINUMYULIPVDK-UHFFFAOYSA-N 258.325 0.866 0 50 CCAA NC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCO2 238059555 XEQSPPBABPVBBR-SECBINFHSA-N 284.337 0.527 0 50 CCAA Cc1cc(N2CCOC[C@H]2C(N)=O)nc(-c2ccncc2)n1 182030824 PCOWPWMRYKKKHO-LBPRGKRZSA-N 299.334 0.538 0 50 CCAA COCCN1C[C@@H](Cc2ncc(F)c(OC)n2)CC1=O 244794517 QOGYTOBSDWJSQY-VIFPVBQESA-N 283.303 0.662 0 50 CCAA O=c1[nH]ccn1CCN1CCC[C@@H](c2cc[nH]n2)C1 244794580 QPKGKAFUBGXLPC-LLVKDONJSA-N 261.329 0.779 0 50 CCAA CSC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 824913642 AFGVGGGVCADEEZ-QWRGUYRKSA-N 280.349 0.281 0 50 CCAA Cc1cc(O)nc(CCNC(=O)[C@@H](C)Cn2cccn2)n1 584888933 KHEZYFLVEQKZEX-JTQLQIEISA-N 289.339 0.682 0 50 CCAA CCCn1cnnc1[C@@H](C)NS(=O)(=O)N(C)C(C)C 823031040 QDXUBYKCOZOZML-SNVBAGLBSA-N 289.405 0.924 0 50 CCAA Cc1nn[nH]c1C(=O)NCCc1nc(C2CC2)no1 584894648 GDICKBVCWSFDIS-UHFFFAOYSA-N 262.273 0.346 0 50 CCAA CC(C)n1cnnc1CCNC(=O)C[C@H]1CCOC1 584891610 NDDJKHFNAQTKDY-LLVKDONJSA-N 266.345 0.944 0 50 CCAA Cc1nonc1CNC(=O)[C@H]1CN(C)c2ccccc2O1 584897095 CYUDCUCTGZMLJB-CYBMUJFWSA-N 288.307 0.892 0 50 CCAA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 670436804 MZMSWKAYZWLMQU-NEPJUHHUSA-N 293.367 0.126 0 50 CCAA C[C@@H](CN1CCN(C)CC1)NCCCn1ccccc1=O 670442555 TUWUTOSTOTYWNU-HNNXBMFYSA-N 292.427 0.464 0 50 CCAA COCCc1noc(CN(C)Cc2cc[nH]n2)n1 670471041 GEUPQUVSOOYQAJ-UHFFFAOYSA-N 251.290 0.614 0 50 CCAA COC[C@@H]1CN(C(=O)NCC2(N(C)C)CC2)C[C@@H](C)O1 864094327 QUVRQKVNWKVHAR-NEPJUHHUSA-N 285.388 0.526 0 50 CCAA N[C@@H]1CCCN[C@@H]1[C@H]1CC[C@H](C(F)(F)F)NC1 757216172 YFGVXXOHRSIJNX-SGIHWFKDSA-N 251.296 0.996 0 50 CCAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccc[nH]1 1875403496 VILCDSHCYUDDFW-CYZMBNFOSA-N 274.324 0.781 0 50 CCAA C[C@@H](CNC(=O)/C=C/c1cnc(N)nc1)n1ccnc1 952987593 LWLMOHFUJFUMIA-PBKGFPTLSA-N 272.312 0.646 0 50 CCAA CC(C)(C)c1ncnn1C[C@H](O)C1(O)CCOCC1 899886496 IVLCWIXXWGKWAB-JTQLQIEISA-N 269.345 0.478 0 50 CCAA Cc1ccn(CC(=O)N2CCn3cnnc3[C@H]2C)c(=O)c1 278357584 PMXBPXHQMWUNGW-LLVKDONJSA-N 287.323 0.352 0 50 CCAA CC1CCN(C(=O)CN(C)C2(CO)CCOCC2)CC1 170612027 HTGPVMCXAXIANF-UHFFFAOYSA-N 284.400 0.718 0 50 CCAA Cn1ccnc1[C@H]1OCC[C@@H]1NS(=O)(=O)CCC1CC1 583616449 VLDIFJQORFJQLZ-RYUDHWBXSA-N 299.396 0.970 0 50 CCAA CC[C@@H]1CN(C[C@H]2CCc3ncnn32)CCN1CCOC 639478807 RPPDCIUNPQXPFQ-ZIAGYGMSSA-N 293.415 0.808 0 50 CCAA O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccccn1 639434133 NJAYYWLYYBTQHI-UHFFFAOYSA-N 288.351 0.574 0 50 CCAA Cc1cnc(CN[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)nc1 643961143 QJWVBDFIGIFCHO-MCIONIFRSA-N 276.384 0.862 0 50 CCAA NC(=O)c1cc(C(=O)NCC[C@H](O)c2ccccc2)c[nH]1 742823252 KEKMBWFYVYDHOT-ZDUSSCGKSA-N 287.319 0.967 0 50 CCAA CC(C)(C)c1nc(=NC(=O)[C@@H]2C[C@H]2C(=O)O)s[nH]1 649465761 GHOXZYVGFPZGJR-PHDIDXHHSA-N 269.326 0.917 0 50 CCAA CC(C)(C)n1nnc(C(=O)N2CCCC[C@@H]2CC(=O)O)n1 659142646 HTNHFTUWUCIGRL-SECBINFHSA-N 295.343 0.898 0 50 CCAA C[C@@H]1CN(c2ncnc(N)c2Cl)C[C@@H](CO)O1 225490383 UHMFEGWHLFCHSQ-RQJHMYQMSA-N 258.709 0.298 0 50 CCAA COCCNC(=O)C(=O)NCc1ccc(Cl)cc1 2892440 SSJRFROAZQULDE-UHFFFAOYSA-N 270.716 0.719 0 50 CCAA O=C(Cc1cccc(F)c1)NC[C@@]1(O)CCOC1 229689410 CXZBNWRHGGHKTJ-ZDUSSCGKSA-N 253.273 0.636 0 50 CCAA CN(C(=O)[C@H]1COCCN1CC(F)F)[C@H]1CCN=C1O 329577459 WBNWIDAVVWQHBP-DTWKUNHWSA-N 291.298 0.140 0 50 CCAA CCOCCC(=O)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616075485 VMIXSOJXDHKDSU-JSGCOSHPSA-N 278.352 0.870 0 50 CCAA COCc1ccc(C(=O)N2CC[C@@H](C(=O)O)C2)o1 261703943 CXDGBDAJLIZUPP-MRVPVSSYSA-N 253.254 0.973 0 50 CCAA C[C@@H]1CCCN(CCNC(=O)c2cnc(C(N)=O)cn2)C1 1772702865 LXYMDFFJZZLERD-SNVBAGLBSA-N 291.355 0.037 0 50 CCAA CSCCCNC(=O)Cn1nnnc1CN1CCCC1 12592442 FCQXLNBQMCAATL-UHFFFAOYSA-N 298.416 0.138 0 50 CCAA Cc1ccc(NC(=O)CCN2CCN(CCO)CC2)cc1 19210640 VDXZWHMUPOFWRS-UHFFFAOYSA-N 291.395 0.934 0 50 CCAA C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1 19421701 VVUCMCKOTBEULW-VIFPVBQESA-N 258.318 0.758 0 50 CCAA O=C(N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1cscn1 1857672778 HVJNEKGYYHFLCQ-DCAQKATOSA-N 297.380 0.097 0 50 CCAA O=C(NCc1cccn2nccc12)[C@H]1[C@@H]2CC[C@H]1CN2 1857694805 JHHYWJDVEHXCGD-SGMGOOAPSA-N 270.336 0.949 0 50 CCAA Cc1nn(C)c(C(=O)N2CCO[C@H]3C[C@H](CO)C[C@@H]32)c1C 1857698076 VVSCISARXVTSIC-AGIUHOORSA-N 293.367 0.649 0 50 CCAA N[C@H]1C[C@H](C(=O)NCc2ccc3c(c2)CCO3)C[C@@H]1O 1857741088 BZYREUIYSMBKSZ-AVGNSLFASA-N 276.336 0.336 0 50 CCAA C[C@H](CNC(=O)c1ncccc1O)N1CCN(C)CC1 129652298 BYSGTBBZNHQOTF-LLVKDONJSA-N 278.356 0.153 0 50 CCAA Cc1c(C(=O)NCCn2ccnc2)nn2c1OCCC2 622307647 HLQRZPSFJGQPSS-UHFFFAOYSA-N 275.312 0.601 0 50 CCAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 626776863 DPDGGONERSYZTC-DOLQZWNJSA-N 283.328 0.003 0 50 CCAA CC(C)[C@H](C(=O)N1C[C@H]2COC[C@@H](C1)O2)N1CCCC1=O 328760091 WWNUXQZGVSQQPR-MBNYWOFBSA-N 296.367 0.260 0 50 CCAA O=C(Cc1ncc[nH]1)N1CCC(c2nnc(O)o2)CC1 854342253 NBAJAZWDDUUDPF-UHFFFAOYSA-N 277.284 0.447 0 50 CCAA O=C(c1cccc(=O)[nH]1)N1CCN(CC(F)(F)F)CC1 227876762 XNYHDWHNZPNNOE-UHFFFAOYSA-N 289.257 0.695 0 50 CCAA Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(N)=O 4502517 PNOMMPMPIFTUMS-SNVBAGLBSA-N 298.364 0.551 0 50 CCAA CC[C@@H](C(N)=O)N1CCN(Cc2cccnc2)CC1 125236547 LKGBKWBJSYCCSL-ZDUSSCGKSA-N 262.357 0.463 0 50 CCAA C[C@H]1OCC[C@@]1(O)CNC(=O)c1cccc2c[nH]nc12 331591371 USPWZNYHQGRGRY-YMTOWFKASA-N 275.308 0.833 0 50 CCAA Cc1cnc(CN2C[C@H](CO)OC(C)(C)C2)cn1 336783409 MNCMHGVNRFJSAQ-GFCCVEGCSA-N 251.330 0.757 0 50 CCAA COCCC1(NC(=O)c2cn(CC3CNC3)nn2)CCC1 2325801372 FBHYISIDQJJCAM-UHFFFAOYSA-N 293.371 0.187 0 50 CCAA O=C(N[C@H]1CCCC2(CC2)C1)N[C@H]1CCNC1=O 895624655 ACITVHYKJSKRNE-UWVGGRQHSA-N 251.330 0.897 0 50 CCAA O=C1NC(=O)C2(COC(c3ccncc3)OC2)S1 990036 HIYOQJJOAKPQFU-UHFFFAOYSA-N 266.278 0.849 0 50 CCAA Cc1cc(C(=O)N2CCC[C@]23CCCN(C)C3=O)nn1C 2356135631 NCJKFBUTIYKPON-HNNXBMFYSA-N 290.367 0.956 0 50 CCAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2cc[nH]n2)C1 2356146806 WNCCXZWPYQJZOH-HNNXBMFYSA-N 298.350 0.732 0 50 CCAA O=C(O)CCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 100571169 MZEUGDZGVVPJBH-HTQZYQBOSA-N 257.673 0.979 0 50 CCAA COC[C@@H]1[C@H](NC(=O)c2cccn2C)[C@H]2CCO[C@@H]12 1074643006 RQWQORCCURFGAN-FPQZTECRSA-N 264.325 0.805 0 50 CCAA Cc1cc(OC[C@H](O)CNS(=O)(=O)O)ccc1Cl 22589988 CLTJFSJHHXJQKZ-MRVPVSSYSA-N 295.744 0.781 0 50 CCAA CCCn1cc(C(=O)N2C[C@H](N(C)C)C[C@H]2CO)c(C)n1 65453956 AQFBTVNSBZRTLV-OLZOCXBDSA-N 294.399 0.739 0 50 CCAA Cc1nc(CCN)cc(N2C[C@H](C)O[C@H](C)C2)n1 67743265 VCXKBMPXJDNETQ-AOOOYVTPSA-N 250.346 0.900 0 50 CCAA CC(C)Cc1ncc2c(n1)CN(C(=O)Cn1cnnn1)C2 67908488 NLDQOEQMIIVMMD-UHFFFAOYSA-N 287.327 0.204 0 50 CCAA CO[C@@H]1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C1 408346634 SZKOYIYXAMBFCQ-GFCCVEGCSA-N 283.372 0.627 0 50 CCAA C[C@H]1CN(c2cc(=O)n(C)c(=O)n2C)C[C@H](C2CC2)O1 328599272 RDYQMVMVEUWLJU-GXSJLCMTSA-N 279.340 0.088 0 50 CCAA CC(=O)N(C[C@@H]1CCCN1Cc1cnnn1C)C1CC1 328655821 YTOXDPWBGOTIFJ-ZDUSSCGKSA-N 277.372 0.790 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1cccnc1 65383709 NABFYSQMRFJOAQ-WDEREUQCSA-N 264.281 0.220 0 50 CCAA CC[C@H](C)[C@@H](N)C(=O)N1CCN(C[C@H]2CCOC2)CC1 253426097 HZFJGBHJCUUTOI-BFHYXJOUSA-N 283.416 0.541 0 50 CCAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)CN(C)C)c1 282344516 DVAQAIBQXIMRGH-JSGCOSHPSA-N 278.352 0.891 0 50 CCAA CN(C)c1cccc(C(=O)NCCc2noc(CO)n2)c1 215368423 BPQJNNCDXODREO-UHFFFAOYSA-N 290.323 0.600 0 50 CCAA O=C(O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 368627550 XCYNDLQMKZISLR-ZETCQYMHSA-N 270.235 0.744 0 50 CCAA O=C(CC[C@H]1CCNC1)NCCC(=O)Nc1cccnc1 261730321 FUYGHKFWKZVODE-LBPRGKRZSA-N 290.367 0.916 0 50 CCAA CC(C)n1nnnc1CN1CC[C@](O)(C2CC2)C1 370093653 SWLGJHPSCYTGLD-GFCCVEGCSA-N 251.334 0.601 0 50 CCAA CCCNC(=O)Cn1c(=O)ccn1-c1ccccn1 521396170 DQPAKXBSTQMWKS-UHFFFAOYSA-N 260.297 0.560 0 50 CCAA Cc1ccccc1[C@@H]1C(=O)NCCN1CCC(=O)O 262417206 ZKTZBAMJDUPEFQ-CYBMUJFWSA-N 262.309 0.943 0 50 CCAA CC[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H]2CCO[C@@H]21 219127010 CAAJSAKEHUVVAU-OTMMVIPVSA-N 262.309 0.918 0 50 CCAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cnn2c1CCCC2 72126419 BGFIBKALVTVWCM-SECBINFHSA-N 281.337 0.260 0 50 CCAA CCc1nn(C)cc1NS(=O)(=O)c1c(C)cnn1C 285139531 ONVYWVMKJZUBKE-UHFFFAOYSA-N 283.357 0.825 0 50 CCAA O=C(c1ccc(Cl)cn1)N1CC[C@H](CO)[C@@H](O)C1 72128820 ULVOYDAWDNGJDA-KCJUWKMLSA-N 270.716 0.550 0 50 CCAA COC[C@H]1CN(C(=O)c2coc(C(N)=O)c2)CC(C)(C)O1 285513033 NXGXKIVZOCECIY-SNVBAGLBSA-N 296.323 0.645 0 50 CCAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC(n3cnnc3)CC2)C1 426661400 WVDXABQDKNVLPV-WDEREUQCSA-N 292.339 0.943 0 50 CCAA O=C(COC[C@@H]1CCCO1)N1CCC(n2cnnc2)CC1 221450455 QXJSKHBGFGKVGS-ZDUSSCGKSA-N 294.355 0.637 0 50 CCAA N[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 178351540 HJWPCGNRQAKOHE-CSMHCCOUSA-N 279.262 0.003 0 50 CCAA CC[C@@H](NC(=O)c1cnc(N)nc1C)[C@H]1C[C@H](O)C1 223177226 BPTIUOOCTVLDFX-WCABBAIRSA-N 264.329 0.647 0 50 CCAA CCc1ncc(C(=O)N[C@@H](CCSC)C(=O)O)cn1 95524559 ULQVIOMTDRIYRV-VIFPVBQESA-N 283.353 0.975 0 50 CCAA CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C)s2)C1 335141607 KPVCSZNJIMIPFA-VIFPVBQESA-N 288.394 0.813 0 50 CCAA Cn1nccc1CCC(=O)N1CCCC[C@@H]1CN 97272382 QQCQHIDDJBTQQM-GFCCVEGCSA-N 250.346 0.693 0 50 CCAA Cc1nn(C)c2nc(N3CCS(=O)(=O)CC3)sc12 95499330 UKFAVBLOUUGXNF-UHFFFAOYSA-N 286.382 0.573 0 50 CCAA CCC[C@@](C)(NC(=O)[C@H]1CSCN1C(C)=O)C(=O)O 299748617 HRUOXJSDUQSYCL-BXKDBHETSA-N 288.369 0.667 0 50 CCAA Cn1nccc1CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 299742348 HEYKGWLBDXLQIA-YPMHNXCESA-N 296.346 0.191 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)[C@@H]1Cc2cc(F)ccc2O1 299747859 FJRGGEBOMZTTAU-PWSUYJOCSA-N 295.266 0.441 0 50 CCAA CC(C)[C@H](NC(=O)CCc1nncn1C)c1ncnn1C 534667900 JKTAMPTXPBMKRC-LBPRGKRZSA-N 291.359 0.390 0 50 CCAA O=C(Cn1ccccc1=O)NCC1(Cn2cccn2)CC1 534575969 LDQOLMHWIMHTCC-UHFFFAOYSA-N 286.335 0.641 0 50 CCAA C[C@H](Cn1cccn1)C(=O)NCC(C)(C)N1CCOCC1 827628034 LCZUKOJBOYHWGN-CYBMUJFWSA-N 294.399 0.746 0 50 CCAA O=C(Cc1ccccn1)NCCN1CCC[C@@H](CO)C1 584896753 PLHHPHKDPLHAIE-CYBMUJFWSA-N 277.368 0.445 0 50 CCAA CNC(=O)[C@H]1CCN(c2ncc(F)c(OC)n2)C1 670471640 PGHMEGZOAWEWGQ-ZETCQYMHSA-N 254.265 0.197 0 50 CCAA CS(=O)(=O)N1CCC(CN)(C(F)(F)F)CC1 685949855 UYWPCAXNXGCPIG-UHFFFAOYSA-N 260.281 0.549 0 50 CCAA CCC(=O)NCC1=Nc2ccccc2S(=O)(=O)N1 1875286041 KRMZPIIMEWRWAX-UHFFFAOYSA-N 267.310 0.535 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cc(C)cc(O)n1 1875273279 LEOSDEDZTOTPNP-ONEGZZNKSA-N 250.254 0.555 0 50 CCAA CN1C[C@H](N(C)C(=O)/C=C/CN2CCCC2)CCC1=O 1875338471 YTLVJXJOORZUBP-URWSZGRFSA-N 279.384 0.718 0 50 CCAA CN(CC(=O)N1CCCC1)C(=O)/C=C/CN1CCCC1 1875337845 HEIMBOWBASDOOA-VOTSOKGWSA-N 279.384 0.719 0 50 CCAA CNC(=O)[C@H]1CCCCN1CCOC[C@H]1CCCO1 241644230 PPKICXSRXFNDGX-CHWSQXEVSA-N 270.373 0.783 0 50 CCAA C[C@H](O)CN1CCN(Cc2nccn2C)C[C@H]1C 247380215 VVBZQYIWPDMDHL-NEPJUHHUSA-N 252.362 0.307 0 50 CCAA O=C(Cn1c(=O)[nH]c2ccccc21)NC[C@H]1CCNC1 273000914 HMKPFIHGQBIFSE-JTQLQIEISA-N 274.324 0.055 0 50 CCAA C[C@H]1C[C@@H](CNC(=O)NCC2(O)CCOCC2)CCO1 408085738 CGAXDRXAPFIMNA-RYUDHWBXSA-N 286.372 0.642 0 50 CCAA C[C@H](CO)[C@H](C)NC(=O)Cn1cc(C2CC2)nn1 305445443 PBTMVCSDPATBJP-BDAKNGLRSA-N 252.318 0.289 0 50 CCAA Cc1csc(CN2CCO[C@H](CN(C)CC(N)=O)C2)n1 275628328 JPCYRWVEKGWKFV-LLVKDONJSA-N 298.412 0.069 0 50 CCAA CN1CCN(C(=O)Cc2cccnc2)C[C@H]1c1nccn1C 276805171 WNNMMODVAARYEG-AWEZNQCLSA-N 299.378 0.873 0 50 CCAA Cc1ccc(C(=O)N2CC[C@](O)(Cn3ccnn3)C2)n1C 671502255 AKNDWVGJURPPQZ-CQSZACIVSA-N 289.339 0.202 0 50 CCAA O=C(COC[C@H]1CCCO1)Nc1nnnn1C1CC1 585124640 KNDTUAYJSOBURG-SECBINFHSA-N 267.289 0.142 0 50 CCAA C[C@@H](c1nnnn1C1CC1)N(C)CCn1cccn1 192019516 FHPBLKHNYFAFBQ-JTQLQIEISA-N 261.333 0.898 0 50 CCAA CN1C[C@@H]2CCCN(C(=O)NCc3cncn3C)[C@@H]2C1 563032986 SXCBRDKMIGQBFU-WCQYABFASA-N 277.372 0.656 0 50 CCAA Cc1ccc([C@@H](C)NCC(=O)N2CCC(C(N)=O)CC2)o1 193637298 CFALJSYNILYGFI-LLVKDONJSA-N 293.367 0.963 0 50 CCAA O=C([C@@H]1CCCN1C[C@@H](O)C(F)(F)F)N1CCOCC1 195564284 WEJWTJNJOPJVIF-VHSXEESVSA-N 296.289 0.233 0 50 CCAA Cn1c(CO)nnc1[C@H]1CCCN(c2nccc(N)n2)C1 1506400760 XQDXRCJCBLNQDI-VIFPVBQESA-N 289.343 0.064 0 50 CCAA CNC(=O)c1ccc(CN2CCCS(=O)(=O)CC2)cc1 332229015 NNANSTBKDSDYGC-UHFFFAOYSA-N 296.392 0.667 0 50 CCAA Cc1nc(-c2ncccn2)sc1C(=O)N(C)CCO 340205781 SGGUOJACUMQCLX-UHFFFAOYSA-N 278.337 0.973 0 50 CCAA Cc1ncc(CN(CCO)C(=O)[C@@H]2CCCCCN2C)[nH]1 1704327444 DHVJUDWVEUWCMI-AWEZNQCLSA-N 294.399 0.913 0 50 CCAA N[C@H]1C[C@@H](C(=O)NCc2n[nH]cc2Br)[C@@H]2C[C@H]12 1857530439 PIZWROXNCDOCIA-AYHNYZOXSA-N 299.172 0.772 0 50 CCAA CC[C@H](NC(=O)CCc1ccccc1)[C@@H](O)C(=O)O 1615551891 QGUJIQMQRSASBP-WCQYABFASA-N 265.309 0.960 0 50 CCAA C/C=C/Cn1c(SC)nc2c1c(=O)[nH]c(=O)n2C 12343367 JFSGRMRRHRUBGJ-SNAWJCMRSA-N 266.326 0.721 0 50 CCAA CCC(=O)NCCNc1ccc(-n2cccn2)nn1 19924346 SESYWQXXYFHPLE-UHFFFAOYSA-N 260.301 0.600 0 50 CCAA C[C@@H]1CC[C@H](C(=O)N2CC[S@@](=O)C(C)(C)C2)O1 205464475 CRBPOIBUWJAYPW-VHCOLVSPSA-N 259.371 0.923 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2cccn2C)C1 643756542 XBSCQPSIXVJDSD-CQSZACIVSA-N 265.357 0.488 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)c1cccn(C)c1=O 353224035 JNLSYNCPJFLTRN-RYUDHWBXSA-N 280.324 0.309 0 50 CCAA Cc1cc([C@@H]2CCCN2C(=O)c2n[nH]c(O)n2)no1 918320004 HAAYXIPSKHWKCK-QMMMGPOBSA-N 263.257 0.784 0 50 CCAA O=C1CC[C@H]2[C@H](C(=O)N3CCC(c4nnc(O)o4)CC3)[C@H]12 908010505 CNOGCCZUUYCMFH-MIMYLULJSA-N 291.307 0.706 0 50 CCAA Cn1nncc1NC(=O)NC[C@H]1CCCCN1C1CC1 931275795 UJXZYRYPHRZQQL-LLVKDONJSA-N 278.360 0.954 0 50 CCAA N[C@@H]1C[C@H](NC(=O)c2coc(CO)c2)C12CCC2 1263264287 HTHGVRRSLVJTDQ-MNOVXSKESA-N 250.298 0.772 0 50 CCAA Cc1cc(CN(C)CC(=O)N2CCNCC2)ccn1 621773984 HSRMBFLZWPZYET-UHFFFAOYSA-N 262.357 0.254 0 50 CCAA O=C(O)[C@@H]1C=CCN1C(=O)c1ccc2c(c1)OCCO2 426441698 DGSOAJUHGZCLNR-JTQLQIEISA-N 275.260 0.923 0 50 CCAA CCc1ccccc1C(=O)NC[C@@H](O)CN(C)C 534650533 CJNDMNXKNLDICW-GFCCVEGCSA-N 250.342 0.901 0 50 CCAA C[C@H]1Oc2ccc(Cl)cc2N(C[C@@H](O)CO)C1=O 5735517 YIAHFLWLLVEPPS-VXNVDRBHSA-N 271.700 0.807 0 50 CCAA in-man O=C1C=C(COC(=O)CCc2ncc(F)cn2)CO1 2325774754 PWZADKXSCPDYQB-UHFFFAOYSA-N 266.228 0.575 0 50 CCAA C[C@H]1CO[C@@H](CN(C)C(=O)N=c2nc3n([nH]2)CCCC3)C1 2325790175 WCGNKOFTZJCXTB-GHMZBOCLSA-N 293.371 0.925 0 50 CCAA O=C1C=C(COC(=O)C2CN(c3ncc(F)cn3)C2)CO1 2325790698 BRWAZPMHJWCARI-UHFFFAOYSA-N 293.254 0.078 0 50 CCAA C[C@@]1(CO)COCCN(c2nc(=N)[nH]c3c2CCCC3)C1 2325800455 IMIRJXSKHURCDN-OAHLLOKOSA-N 292.383 0.603 0 50 CCAA COc1cc(CO)c(Br)cc1OCC(N)=O 2554794 CNXFLMGAQAJRSG-UHFFFAOYSA-N 290.113 0.814 0 50 CCAA CCOC(=O)c1ccc(NC(=O)C(=O)NCCOC)cc1 2864809 RBTQDXFWCYUJAM-UHFFFAOYSA-N 294.307 0.564 0 50 CCAA COCc1noc(CN2CCC[C@]23CCCNC3=O)n1 2356149497 DGEUVGXOHOPPPG-ZDUSSCGKSA-N 280.328 0.461 0 50 CCAA COCCNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 2941060 GLIVMCLMEPDPGC-LLVKDONJSA-N 268.357 0.930 0 50 CCAA O=C(Cn1nnc2ccccc2c1=O)Nc1cccnc1 6659917 LOGUPTCOTVCVEZ-UHFFFAOYSA-N 281.275 0.825 0 50 CCAA O=C(O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 20199456 ZTCXJQFTWHUHIS-UHFFFAOYSA-N 298.320 0.494 0 50 CCAA CC(C)Oc1cc(NCc2nnc3n2CCC3)nc(N)n1 65394939 OMJMMXNXHGKPFH-UHFFFAOYSA-N 289.343 0.996 0 50 CCAA O=C1CNC(=O)N1Cc1nc(CCc2ccccc2)n[nH]1 65403810 WKYCNBZPWXQYFU-UHFFFAOYSA-N 285.307 0.642 0 50 CCAA CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 213416481 JAVMQPNYKPLAJL-SECBINFHSA-N 260.359 0.279 0 50 CCAA O=C(NCc1cc(N2CCOCC2)ncn1)c1ccc[nH]1 72463209 DVSUXSBASGESES-UHFFFAOYSA-N 287.323 0.571 0 50 CCAA Cc1cc(C(=O)NCCS(=O)(=O)N(C)C)cc(C)n1 216088894 PJGRISTTZVEOKU-UHFFFAOYSA-N 285.369 0.320 0 50 CCAA CCn1nccc1CN(CC(=N)O)C[C@@H]1CN(C)CCO1 328630740 JQYPHLRTNISEOF-ZDUSSCGKSA-N 295.387 0.571 0 50 CCAA CC[C@H]1COCCN1C(=O)C(=O)c1cccn1C 77378018 GUONQODCQKMWQJ-JTQLQIEISA-N 250.298 0.845 0 50 CCAA CC(C)C[C@@H](CNC(=O)c1cccc(=O)n1C)C(=O)O 262740149 GQKZOUIIXCZFDV-JTQLQIEISA-N 280.324 0.862 0 50 CCAA CC1(C)CN(C(=O)Cn2ccccc2=O)CC[C@H]1N 261752683 DXAIAJJMHVGXKM-LLVKDONJSA-N 263.341 0.434 0 50 CCAA COC(=O)[C@@H]1C[C@H]2C[C@@H](C[C@@H](C(=O)OC)C2=O)C1=O 216054092 NVJWINZXUQDIDN-BZNPZCIMSA-N 268.265 0.133 0 50 CCAA biogenic Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cnn1C 262568687 MJVDNTYSBMKMLZ-ZDUSSCGKSA-N 286.335 0.555 0 50 CCAA Cc1[nH]cnc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 74672712 BYJIBEPGMJXWTL-UHFFFAOYSA-N 294.336 0.296 0 50 CCAA CSCCC(=O)NCCCN1CCC(O)CC1 136132699 CFOZIYSBYMBCDK-UHFFFAOYSA-N 260.403 0.703 0 50 CCAA O=C(NCc1cc(-c2ccccn2)no1)c1cncc(=O)[nH]1 426501719 FSUIPWNXZAPILU-UHFFFAOYSA-N 297.274 0.750 0 50 CCAA CC(C)c1nccc(C(=O)NCCc2nc(N)n[nH]2)n1 426471663 RVXIOTDBFCTXKW-UHFFFAOYSA-N 275.316 0.273 0 50 CCAA CC[C@H](NC(=O)C(C)(C)NC(C)=O)c1ncnn1C 426411279 JDSPQESWVXGVOJ-VIFPVBQESA-N 267.333 0.297 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CCNC[C@@H]1C 426478893 LDMOGALQIAQBKK-JTQLQIEISA-N 272.374 0.446 0 50 CCAA CCC(=O)N1CCN(C(=O)c2cnn3cccnc23)C1 333249507 GMJLXJXTRNNHRY-UHFFFAOYSA-N 273.296 0.381 0 50 CCAA CSC[C@@H]1CCCN(C(=O)Cn2cccnc2=O)C1 97766593 WAVJVGSIIYALLQ-LLVKDONJSA-N 281.381 0.845 0 50 CCAA COCCN(CC(=O)O)c1ncnc2[nH]ccc12 534634288 OVKMTRDSTVYQRU-UHFFFAOYSA-N 250.258 0.495 0 50 CCAA COCCN1C[C@@H](c2nc(-c3cccnn3)no2)CC1=O 91745984 QUXOJSDGXUSJIC-VIFPVBQESA-N 289.295 0.489 0 50 CCAA CCn1cc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cn1 625627441 TUCFVTKLKQMQSI-ZIAGYGMSSA-N 291.355 0.261 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)c1C 534651837 ZPXQZVDKGGOFFH-DGCLKSJQSA-N 290.367 0.895 0 50 CCAA CC(C)(C)c1cc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)[nH]n1 299794911 LDZHVXLXKAYARB-SECBINFHSA-N 299.396 0.758 0 50 CCAA CN1CCN(Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1CCO 828747109 DYAMQORQPUUFFB-SNVBAGLBSA-N 292.305 0.927 0 50 CCAA Cc1cccc2c1NCN1C2=NNC(=O)[C@@H]1CC(=O)O 585157974 ZKDOCBZGAIRYTM-VIFPVBQESA-N 274.280 0.315 0 50 CCAA CN1CCC(O)(CNC(=O)C[C@@H]2CCCCN2C)CC1 584903709 WKXZLHGGQMAWSY-ZDUSSCGKSA-N 283.416 0.434 0 50 CCAA CC(C)[C@H]1C=CCN1C(=O)NCc1nc(C(N)=O)no1 584891678 NPUFSZUWCRKGHG-MRVPVSSYSA-N 279.300 0.275 0 50 CCAA CCN1CCN(CC(=O)N2CCC[C@@H](CCOC)C2)CC1 670450941 SHIDHUAZDSYMNL-HNNXBMFYSA-N 297.443 0.899 0 50 CCAA O=C1CCN(c2nccc(-c3cnccn3)n2)CCN1 1875275423 QTQCSRZEQBNULY-UHFFFAOYSA-N 270.296 0.260 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)CCn1ccnc1 1875367801 OGLZWOLMEQNPAP-UHFFFAOYSA-N 264.329 0.376 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 1875387423 HWJKCLNOZYIUEP-LLVKDONJSA-N 288.351 0.760 0 50 CCAA CC1(C)C[C@@H](CC(=O)N[C@H]2C[C@@H](N=c3[nH]nco3)C2)CO1 1875405345 DGTUUPYQWKZIRX-MXWKQRLJSA-N 294.355 0.756 0 50 CCAA Cn1nccc1[C@@H](N)C1(O)CN(C(=O)OC(C)(C)C)C1 958528654 RTQIDCMKVMUWFU-SNVBAGLBSA-N 282.344 0.402 0 50 CCAA Cc1nc([C@H]2CN(Cc3ccnc(O)c3)CCO2)n[nH]1 892173346 LVAQAXQKWUNFMS-LLVKDONJSA-N 275.312 0.787 0 50 CCAA CN(C)c1ncc(CN[C@H]2C[C@@H](O)[C@@H]2n2cccn2)n1C 888076164 CBDSZNLISOMUSK-YNEHKIRRSA-N 290.371 0.147 0 50 CCAA CC(C)N1CC[C@@H](N2CCC[C@@H](n3cncn3)C2)C1=O 245466584 JIEPIIJADPWVTK-CHWSQXEVSA-N 277.372 0.924 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@H]2COC[C@@H](C1)O2 1772980850 LEJMYCZAMIXBAA-AOOOYVTPSA-N 291.307 0.299 0 50 CCAA O[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC1CCOCC1 1565507625 XQELWYLFLXAXQS-HOTGVXAUSA-N 291.395 0.785 0 50 CCAA O=C(Nc1cc(F)c(F)cc1F)N[C@H]1CNCC[C@@H]1O 1565512397 HZZOHQSXLXCWOA-QWRGUYRKSA-N 289.257 0.948 0 50 CCAA Cc1nc(C)c(C(=O)NCC(=O)N2CCCC2)[nH]1 1464832499 XXXLNVJOBIBKOF-UHFFFAOYSA-N 250.302 0.379 0 50 CCAA O=C(N[C@@H]1CCCSC1)c1cn(C(F)(F)CO)nn1 1363343077 BMZVEMBTWFEECG-SSDOTTSWSA-N 292.311 0.445 0 50 CCAA CCn1ncnc1CNC(=O)N1CC[C@H](C)[C@@H](O)C1 408309314 LULGMKRHBGSSMS-UWVGGRQHSA-N 267.333 0.210 0 50 CCAA COC[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@@H](C)O1 276039082 QSFKRFIOWKETGC-MNOVXSKESA-N 280.324 0.261 0 50 CCAA Cc1c([C@H](C)NS(=O)(=O)C2COC2)cnn1C 276856064 FNNFIQMOODYXIN-ZETCQYMHSA-N 259.331 0.108 0 50 CCAA COC[C@@]1(C(=O)NCc2c(C)nn(C)c2C)CCCN1 643639567 UWBCRSKDRZASNG-CQSZACIVSA-N 280.372 0.422 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cc(C)n(C)n1 643849090 SLYIRAIWJGVRTK-CYBMUJFWSA-N 281.312 0.434 0 50 CCAA C=CC(=O)NCCNC(=O)c1ccc(N(C)C)cn1 1198138467 TVFXYUFMRWIBLO-UHFFFAOYSA-N 262.313 0.180 0 50 CCAA O=C(CCNC(=O)N1CCC[C@@H](CO)C1)N1CCCCC1 193428242 LRSHRIPGZGZTSM-CYBMUJFWSA-N 297.399 0.803 0 50 CCAA O=C(O)[C@H]1CC[C@H](S(=O)(=O)N2CCSCC2)C1 712860110 STQRLRFJCDNUHT-IUCAKERBSA-N 279.383 0.618 0 50 CCAA CCNc1ncc(C(=O)N2CC[C@@H](N(C)C)C2)cn1 91649962 DPXPVSILLZKFIQ-LLVKDONJSA-N 263.345 0.685 0 50 CCAA CCc1nccn1C[C@@H](C)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1506408216 QKMZIOQSFDLWGB-NIFZNCRKSA-N 293.411 0.898 0 50 CCAA CCc1nccn1CCC(=O)N[C@@H]1C[C@@H](C(=O)O)N(C)C1 1506402324 WUGRKSDLGHDRDW-MNOVXSKESA-N 294.355 0.109 0 50 CCAA O=C([C@H]1CCCOCC1)N1CC(=O)N(C2CC2)C1 336367468 AHCNMGIQMGWNST-JTQLQIEISA-N 252.314 0.594 0 50 CCAA O=C(O)CCNS(=O)(=O)c1cccnc1C(F)(F)F 262295410 IPTZUGNSPBJNAR-UHFFFAOYSA-N 298.242 0.853 0 50 CCAA COCC1(S(=O)(=O)N2C[C@H](N)C3(CCC3)C2)CC1 1615057206 FQGQDTIMFGCGPC-JTQLQIEISA-N 274.386 0.308 0 50 CCAA Cc1conc1C(=O)N1CC2(CCNCC2)[C@H]2COC[C@H]21 1615588913 IOGMOWHYNXQYQP-NWDGAFQWSA-N 291.351 0.824 0 50 CCAA COC(=O)c1cc2n(n1)CCN(Cc1cn(C)c(C)n1)C2 1857691519 OWTXCPNHIYPGSP-UHFFFAOYSA-N 289.339 0.727 0 50 CCAA O=C(NCCCN1CCc2ccccc21)[C@H]1C[C@@H](O)CN1 226825698 TXUUXWQWFCKEME-ZIAGYGMSSA-N 289.379 0.278 0 50 CCAA CC(C)n1ccc(=NC(=O)CN2CCCC[C@@H](O)C2=O)[nH]1 644458964 KGAPPTAWAYJJAS-LLVKDONJSA-N 294.355 0.198 0 50 CCAA O=C([C@H]1C[C@H]2CC[C@H]1NC2)N1CCC[C@@H](n2ccnn2)C1 333555546 KDOOBEBJKYNANY-YIYPIFLZSA-N 289.383 0.830 0 50 CCAA C[C@@H]1CC(=O)NCCN1C(=O)Cc1cnn2ccccc12 648796837 URTSSMWYQICFSG-LLVKDONJSA-N 286.335 0.614 0 50 CCAA Cc1ccccc1[C@H](C)C(=O)N1CC(NS(N)(=O)=O)C1 827344958 QLODOFNBKUZQGU-JTQLQIEISA-N 297.380 0.102 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)O)O[C@H]2C1 1857783887 ITDXNVAQVFVJRQ-XHNCKOQMSA-N 273.285 0.474 0 50 CCAA CN1CCC[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 270958910 NFSHZUJRJNEVAL-KGLIPLIRSA-N 262.353 0.800 0 50 CCAA CN(C)c1nc(CN2CCC(CO)CC2)ns1 163729416 SZXIDSZGOROPSM-UHFFFAOYSA-N 256.375 0.808 0 50 CCAA CCn1ncnc1CN1CCN(CC(F)(F)F)CC1 193290487 FSPWJDUAWXVPFC-UHFFFAOYSA-N 277.294 0.978 0 50 CCAA Cc1ccnc(CN2C[C@H](CO)OC(C)(C)C2)n1 336783368 IXNWJHBVSHTLST-LLVKDONJSA-N 251.330 0.757 0 50 CCAA CN(Cc1nccs1)C(=O)C[C@@H]1CNCCO1 388742473 IPZWKTRTXVEGRB-SECBINFHSA-N 255.343 0.480 0 50 CCAA O=C1N[C@H](C(=O)O[C@H]2Cc3ccccc3C2=O)CO1 859911203 FLPFEUGPNDAMNF-UWVGGRQHSA-N 261.233 0.446 0 50 CCAA O=C(NCC(=O)N1CCOCC1)Nc1cncc(Cl)c1 932117747 WMAAKRXMWXLVPM-UHFFFAOYSA-N 298.730 0.715 0 50 CCAA CC(=O)NCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2554990 HLCTYBOTPCIHTG-MRVPVSSYSA-N 292.357 0.791 0 50 CCAA CCC[C@@]1(C(=O)O)CN(Cc2nccn2C)CC[C@H]1O 2356140265 BKUNOZNARUEAIY-BXUZGUMPSA-N 281.356 0.858 0 50 CCAA CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC)cc1 6697188 GVCJNTUVGQXETP-SECBINFHSA-N 286.353 0.498 0 50 CCAA CN(C)C(=O)Oc1cccc(NS(=O)(=O)N(C)C)c1 8714424 HJOWRPALSZDOQB-UHFFFAOYSA-N 287.341 0.965 0 50 CCAA CCCNC(=O)C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O 102133139 YUFNKAVMIWFHIX-VWYCJHECSA-N 253.346 0.302 0 50 CCAA O=C(COc1ccc2nncn2n1)NCc1cccs1 20321899 IIEWJUIRZIHZMK-UHFFFAOYSA-N 289.320 0.881 0 50 CCAA CN1CCN(Cc2noc(CCn3cccc3)n2)CC1 67773031 DTUSWOSWBRSRHT-UHFFFAOYSA-N 275.356 0.861 0 50 CCAA CCC/C=C/CN1CCN2C(=O)CN(C)C(=O)[C@@H]2C1 65393751 IFCUZUKZCLBXCS-FYJFLYSWSA-N 265.357 0.328 0 50 CCAA Cc1noc(C)c1C(=O)N1CCOC[C@@H]1CC(=O)O 72454348 CXUSAWNQOHJDMW-VIFPVBQESA-N 268.269 0.607 0 50 CCAA O=C(NCCCn1ccccc1=O)c1ccc2n[nH]nc2c1 216151245 KQTBQFNUSIEWNA-UHFFFAOYSA-N 297.318 0.940 0 50 CCAA Cc1ccccc1C(=O)N[C@H](C(=O)NCCN)C(C)C 236754367 YIBWGNQEKOTQAQ-ZDUSSCGKSA-N 277.368 0.824 0 50 CCAA C[C@@H](O)C[C@@H](C)NC(=O)c1cnc(N(C)C)cn1 334035643 GIXLQPUNRZIKBR-RKDXNWHRSA-N 252.318 0.432 0 50 CCAA O=C(CCCCc1cnn[nH]1)N1C[C@@H](O)C2(CC2)C1 375289612 ZFBJHQVXBZPRFD-LLVKDONJSA-N 264.329 0.501 0 50 CCAA Cn1cncc1C(=O)N[C@H]1CCC(=O)NC1(C)C 336559115 QKLBCMJUFWPOMV-VIFPVBQESA-N 250.302 0.207 0 50 CCAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4ccc(C(N)=O)o4)[C@@H]1[C@H]3C2 288383509 KKAJABQLDRWGIP-BDPUXZDNSA-N 290.319 0.874 0 50 CCAA O=C1C[C@@]2(CCN(c3ncnc4ccsc34)C2)C(=O)N1 82106618 UAQCGSAFFXXAGB-CYBMUJFWSA-N 288.332 0.934 0 50 CCAA O=C(NS(=O)(=O)c1ccccc1)[C@@H]1CCCN1 137112847 NMTZACKICMFJBK-JTQLQIEISA-N 254.311 0.244 0 50 CCAA CC(C)[C@]1(C)CC(=O)N(Cc2nnn(C)n2)C1=O 289479862 XWFPMOGHOWIHPH-NSHDSACASA-N 251.290 0.131 0 50 CCAA C[C@@H](C(=O)NCCc1noc(C2CCC2)n1)N(C)C 426473006 WOCDZGJDPORBGF-VIFPVBQESA-N 266.345 0.946 0 50 CCAA CS[C@@H](C)CC(=O)N1CCOC[C@@H]1CC(=O)O 263511064 CHPNSZARGBBKQV-IUCAKERBSA-N 261.343 0.830 0 50 CCAA Cc1nc(O)c(C(=O)NCCCc2nn[nH]n2)c(C)c1C 426534527 WIRCATGWLSXEOE-UHFFFAOYSA-N 290.327 0.588 0 50 CCAA CCCc1ncncc1C(=O)NC[C@@H]1CNCCO1 97744710 DFDVMAOQVFGQMX-JTQLQIEISA-N 264.329 0.147 0 50 CCAA CCc1nnc(CN(CC)C(=O)CN2C(=O)CC[C@H]2C)o1 95501794 JBEOLYGHVLDBDH-SNVBAGLBSA-N 294.355 0.991 0 50 CCAA CN1CCN(Cc2noc([C@H]3CCCO3)n2)C1=O 95512089 RSBJBOADNDAOON-MRVPVSSYSA-N 252.274 0.789 0 50 CCAA COc1ccc(C)c(NC(=O)N2CCNC(=O)C2)c1 95530750 OSISSAHNOIZNQZ-UHFFFAOYSA-N 263.297 0.967 0 50 CCAA CC(C)COCCC(=O)N1CCO[C@H](CC(=O)O)C1 299750320 NBDYDDKMLJQRDE-LLVKDONJSA-N 273.329 0.751 0 50 CCAA NC(=O)c1ncn([C@@H]2CCCN(C[C@H]3CCCCO3)C2)n1 299738751 FYSYDIJIXGUPSN-VXGBXAGGSA-N 293.371 0.583 0 50 CCAA COCC1(CNS(=O)(=O)N2CCOCC2)CCCC1 452042495 CGGIGVXBNAZYSK-UHFFFAOYSA-N 292.401 0.360 0 50 CCAA Cc1[nH]nc(CNc2ncnc3c2nnn3C)c1C 1338077862 JPXQAIZIFHWWEB-UHFFFAOYSA-N 258.289 0.710 0 50 CCAA Cc1nnnn1CCC(=O)NCc1cn2ccsc2n1 299767890 XNCFQMNJWLEDFW-UHFFFAOYSA-N 291.340 0.397 0 50 CCAA C[C@@]1(C2CCNCC2)NC(=O)N(Cc2ccncc2)C1=O 299775954 MOKHOACQZKSXAW-HNNXBMFYSA-N 288.351 0.892 0 50 CCAA O=C(O)c1cn2cc(Br)[nH]c(=O)c2n1 585672369 FQRBTSCZBOGGTE-UHFFFAOYSA-N 258.031 0.483 0 50 CCAA COc1ccc2nc(CCNS(C)(=O)=O)[nH]c2c1 824757765 DKKSTJPWZFOOOP-UHFFFAOYSA-N 269.326 0.663 0 50 CCAA CCCNc1ncc(CN2CC(=O)N(C)[C@@H](C)C2)cn1 670450084 UVPRFTWGJGTIIG-NSHDSACASA-N 277.372 0.961 0 50 CCAA Cc1cccc(S(=O)(=O)NC(=O)[C@@H](C)C(=O)O)c1 863953280 REVZSGIYYMHOIK-MRVPVSSYSA-N 271.294 0.521 0 50 CCAA Cc1nnc(N2CCCn3[nH]c(=N)cc3C2)nc1C 1875286758 DPGBTUXPVIXANK-UHFFFAOYSA-N 259.317 0.508 0 50 CCAA Cn1cc(S(=O)(=O)Nc2ccc3c(c2)CCOC3)nn1 1875280943 HTMQIVVITYAFDE-UHFFFAOYSA-N 294.336 0.689 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCOC3(CCC3)CC2)C1 1875387532 MIKYOYMVHKCZPG-UHFFFAOYSA-N 278.352 0.802 0 50 CCAA C[C@]1(CNC(=O)c2cnn3ccncc23)CCCC(=O)N1 1875308413 FDGVSKYPMLMFOY-CQSZACIVSA-N 287.323 0.518 0 50 CCAA Cc1cc(CN2CCN([C@@]3(C(=O)O)CCOC3)CC2)on1 886072022 YILWVNWZBPBIMG-AWEZNQCLSA-N 295.339 0.344 0 50 CCAA C[C@H](O)CN1CCN(C[C@H]2CCCCO2)C[C@H]1C 247386814 WQPRGTKYPMNWOW-HZSPNIEDSA-N 256.390 0.942 0 50 CCAA CCc1cc(CC(=O)N[C@]23CCC[C@@H]2NCC3)n(C)n1 1775961311 PMPICHNDBQOFPK-ZFWWWQNUSA-N 276.384 0.926 0 50 CCAA CNC(=O)c1ccsc1NC(=O)N[C@H](C(N)=O)C(C)C 1434752248 GSKSRODQDLXRAP-QMMMGPOBSA-N 298.368 0.739 0 50 CCAA CS(=O)(=O)N1CC[C@@H](CSc2nncs2)C1 408146794 VDUXQOPBARNPEM-SSDOTTSWSA-N 279.412 0.912 0 50 CCAA CCNC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 276207442 IQKJVTYZCWNWJC-WDEREUQCSA-N 252.318 0.959 0 50 CCAA Cc1nc(C)c(F)c(N2C[C@@H](O)[C@H](n3ccnn3)C2)n1 631397845 SIGRRDOMXKENBZ-NXEZZACHSA-N 278.291 0.246 0 50 CCAA CCC(CC)N1C[C@H](C(=O)NCC(=O)OC)CC1=O 170621144 CVAUSWFIDVLKFI-SECBINFHSA-N 270.329 0.313 0 50 CCAA Cc1cc(N2C[C@H](C(=O)NCC(=O)O)CC2=O)ccc1F 190529087 DXULFPPXYPNPFM-SECBINFHSA-N 294.282 0.688 0 50 CCAA C[C@@H]1CCN(C)CCN1C(=O)CCn1cnccc1=O 563636913 OYQJLNLBTQLTBM-GFCCVEGCSA-N 278.356 0.186 0 50 CCAA Fc1cccnc1N1CCN(CCc2cnn[nH]2)CC1 660151300 ZAEWFXUAKUSTKF-UHFFFAOYSA-N 276.319 0.704 0 50 CCAA CCc1ncc(S(=O)(=O)N2CC[C@@H](C(C)(C)O)C2)[nH]1 721818340 UORFKYUQYWMAPJ-SECBINFHSA-N 287.385 0.754 0 50 CCAA CN(Cc1cccn1C)C(=O)c1ccc2c(c1)B(O)OC2 584961740 AIKICEQLFKVHJL-UHFFFAOYSA-N 284.124 0.515 0 50 CCAA C[C@H]1CN(C)C[C@H](C(=O)NCCc2ccccn2)O1 585121934 GSZGZRSLNZPTFN-WCQYABFASA-N 263.341 0.459 0 50 CCAA CNC[C@@H]1CCCN(Cc2nccn2CCOC)C1 97743189 RIKMMRSUWXRSGK-ZDUSSCGKSA-N 266.389 0.961 0 50 CCAA COCCn1cnnc1CN(C)c1nccc(OC)n1 1529113395 YBVHXIICNGFWQB-UHFFFAOYSA-N 278.316 0.360 0 50 CCAA Cn1nccc1CN1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704326538 GIXGFNZKCFXCOX-IUODEOHRSA-N 272.352 0.851 0 50 CCAA CCc1ncc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)cn1 1704303533 KSMRSOXWCNKOCS-AAEUAGOBSA-N 290.367 0.442 0 50 CCAA C[C@@H]1CN(C(=O)C(=O)Nc2cnsn2)C[C@@H]1C 839491332 GBVIMVCWGKVDEF-KNVOCYPGSA-N 254.315 0.591 0 50 CCAA CC(C)(C)OC(=O)N[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)O 12954792 BDISLHPIKVZWDN-XAVMHZPKSA-N 255.270 0.918 0 50 CCAA in-vitro CN1C[C@@H](C(=O)NCc2ccc(O)c(F)c2)CC1=O 133060553 JXUIMEPIGNPZTK-VIFPVBQESA-N 266.272 0.626 0 50 CCAA CO[C@@]1(CNC(=O)c2cc(C(N)=O)cs2)CCOC1 359825277 CGJPIJHSNJCUIT-GFCCVEGCSA-N 284.337 0.382 0 50 CCAA O=C(CN1CCC(CO)CC1)N[C@]12CCC[C@H]1NCC2 1615549809 WRKBQHVKXIUGOU-HIFRSBDPSA-N 281.400 0.092 0 50 CCAA CN(C[C@@H]1CCC(=O)N(C)C1)CC1(CO)CCC1 1775983379 LJLVXNBGOMNQLD-LBPRGKRZSA-N 254.374 0.949 0 50 CCAA O=C(O)c1cccnc1N[C@H]1CCS(=O)(=O)C1 19844923 GVNFOUNQWQKHFS-ZETCQYMHSA-N 256.283 0.379 0 50 CCAA Cc1cn2nc(C(=O)NCc3cccnc3)cc2c(=O)[nH]1 169768608 JRAJWOLJFMZMJO-UHFFFAOYSA-N 283.291 0.656 0 50 CCAA Cc1cnc(C(=O)NC[C@@H](O)Cn2ccnn2)c(C)c1 822448122 IARQYSXFFKQPSV-LLVKDONJSA-N 275.312 0.081 0 50 CCAA O=C(NCc1cnc2cnccn12)[C@H]1CCc2ncnn2C1 1857731902 SSKOYCVAWGZAMW-JTQLQIEISA-N 297.322 0.200 0 50 CCAA Cn1cc(Cl)c(C(=O)N2CCO[C@H]3C[C@H](CO)C[C@@H]32)n1 1875251122 XHEQTJUMRRQCSF-MIMYLULJSA-N 299.758 0.685 0 50 CCAA CCCCNC(=O)[C@@H](C)N1CCO[C@H](Cn2ccnn2)C1 585116235 MXRKVFIUTVXGFQ-OLZOCXBDSA-N 295.387 0.284 0 50 CCAA Cc1ncc(C(=O)N[C@]2(CC(=O)O)CCCOC2)n1C 909691108 CNGQUPKZUQFCRX-ZDUSSCGKSA-N 281.312 0.482 0 50 CCAA O=C(c1ccc2nccn2c1)N1CCNCC12CC2 1875290345 VLRIBDYKXJDCJT-UHFFFAOYSA-N 256.309 0.912 0 50 CCAA S=C(NCCN1CCOCC1)NC1CCCC1 19815077 DCUZCWJYUPXYBG-UHFFFAOYSA-N 257.403 0.725 0 50 CCAA Cc1cc(CNS(=O)(=O)C[C@@H]2CCCCO2)n[nH]1 606459306 PEEPSWOTAWVMFS-NSHDSACASA-N 273.358 0.707 0 50 CCAA CN1CCCC[C@@H]1C(=O)NCc1csc(N)n1 584888478 OMSWPTPPVRTZAT-SECBINFHSA-N 254.359 0.826 0 50 CCAA CSC(C)(C)[C@H](N)C(=O)N1CCC(n2cnnc2)CC1 2100480652 MKUSWQSTJPLHJX-LLVKDONJSA-N 297.428 0.911 0 50 CCAA CCNC(=O)/C(=C/NC(=O)c1ccccc1)C(=O)OC 2325899388 AWKFTVOKKRDUSF-LUAWRHEFSA-N 276.292 0.609 0 50 CCAA CN(C)c1nc(N)nc(Cn2c(=O)oc3ccccc32)n1 6758181 XGJDPGFNWWTHIX-UHFFFAOYSA-N 286.295 0.476 0 50 CCAA CCN(Cc1cnn(C)c1)c1ccc(C(N)=O)nn1 225593502 UYOWQZKCVIQFSR-UHFFFAOYSA-N 260.301 0.336 0 50 CCAA Cc1ccc(C)c(NC(=O)C[C@H]2NCCNC2=O)c1 9483954 VPKVOHWAGUCGPA-GFCCVEGCSA-N 261.325 0.720 0 50 CCAA CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nccn1C 103768081 SMNORSQRRBJVOJ-UHFFFAOYSA-N 282.325 0.906 0 50 CCAA CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)CCOC 246994587 NLHXEPKGFHAECD-NEPJUHHUSA-N 276.402 0.521 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)CN1CCC(C)CC1 344807041 IPHFNDMBNKDOSN-UONOGXRCSA-N 284.400 0.981 0 50 CCAA N#Cc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 116111971 NYVGCNSACSJVJQ-NSHDSACASA-N 269.260 0.319 0 50 CCAA CN(C)S(=O)(=O)CCN1CCC[C@@H]1CCCO 310306672 PBSYPQBNVQDBHM-LLVKDONJSA-N 264.391 0.115 0 50 CCAA O=C(COc1ccccc1)Nc1ccn([C@H]2CCNC2)n1 328635411 URMZJTBZLNUSLI-LBPRGKRZSA-N 286.335 1.435 0 50 CCAA OC1CN(Cc2ccon2)CCN(Cc2ccon2)C1 253419110 NCYHJEBQUNBBPZ-UHFFFAOYSA-N 278.312 0.341 0 50 CCAA O=C(NS(=O)(=O)c1cnccn1)[C@H]1C[C@H]1c1ccco1 152324918 YZUICWWWKJNERJ-BDAKNGLRSA-N 293.304 0.678 0 50 CCAA CO[C@H]1C[C@@H](C(=O)Nc2cccn(C)c2=O)N(C)C1 330535397 JKTZCCDOLSBJDD-ONGXEEELSA-N 265.313 0.043 0 50 CCAA O=C1CCCCN1[C@H]1CCCN(C(=O)C2(O)CCC2)C1 364318586 SUDYUBZHQJSOBP-LBPRGKRZSA-N 280.368 0.905 0 50 CCAA COCCCNC(=O)CN1C[C@@H](CO)Oc2ccccc21 366041571 JXGNXCKLFKEXSH-LBPRGKRZSA-N 294.351 0.399 0 50 CCAA Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)O)n[nH]1 128252405 IZTPIMSJPOTBAD-MRVPVSSYSA-N 253.258 0.034 0 50 CCAA O=C(C1CC1)N1CCN(S(=O)(=O)CC2CC2)C1 333760204 CMKIHYZFLVDPMY-UHFFFAOYSA-N 258.343 0.238 0 50 CCAA O=C(NCc1nnc(-c2ccccc2)o1)c1cnn[nH]1 72153216 CQEJMBZTAZBWHD-UHFFFAOYSA-N 270.252 0.785 0 50 CCAA C[C@H]1C[C@@H](N)CCN1C(=O)c1ccc2c(c1)OCC(=O)N2 237524975 GJOZBWCXRMPWQW-ONGXEEELSA-N 289.335 0.969 0 50 CCAA COCc1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)O)cc1 262349855 AVORMVOEGZHLGV-SECBINFHSA-N 287.337 0.927 0 50 CCAA CN(CCCc1nccn1C)C(=O)Cc1cnccn1 220724848 NYVJGRXPBXMAEE-UHFFFAOYSA-N 273.340 0.844 0 50 CCAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(CO)O2)cc1 197911197 PKBOQYMJBKCFPT-IATRGZMQSA-N 285.299 0.800 0 50 CCAA C[C@H]1C[C@H](NC(=O)N2CCNC(=O)CC2)C[C@@H](C)O1 245511901 ZLKWOMRMMJTNAQ-JGPRNRPPSA-N 269.345 0.474 0 50 CCAA C[C@@]1(C(=O)NCc2nc(-c3ncccn3)no2)CCCO1 426431825 KKQBUVXGYUPZPS-ZDUSSCGKSA-N 289.295 0.712 0 50 CCAA Cc1cc(=O)[nH]c(CCNC(=O)c2ccn(C(F)F)n2)n1 220639985 ABMMBYZAFWEZAC-UHFFFAOYSA-N 297.265 0.642 0 50 CCAA COc1cccn(CC(=O)N2CC[C@H](OC)C2)c1=O 95517301 WSMZYXBMMLWABL-JTQLQIEISA-N 266.297 0.104 0 50 CCAA O=C(CCn1ncn2cccc2c1=O)N1CCCC1 95392964 QCXFTHVVEWBZLU-UHFFFAOYSA-N 260.297 0.509 0 50 CCAA C[C@@H]1C[C@@H](NC(=O)c2csc(CN)n2)CN1C1CC1 237570584 KAAHBIRPANVUOL-RKDXNWHRSA-N 280.397 0.957 0 50 CCAA CN1CCN(Cc2noc([C@@H]3CCCO3)n2)C1=O 95512088 RSBJBOADNDAOON-QMMMGPOBSA-N 252.274 0.789 0 50 CCAA O=C(CCN1CCOC[C@@H]1CO)Nc1nccs1 244673990 HZKHHGMNFHHXHH-VIFPVBQESA-N 271.342 0.165 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)NCC1(N(C)C)CCOCC1 252486822 HPADSPRKLQWNJI-LBPRGKRZSA-N 295.387 0.141 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)CCCn2ccnc2)C1 299744653 TYZOSFWWFFAPEW-JTQLQIEISA-N 251.286 0.596 0 50 CCAA CN1CCO[C@H](CNC(=O)c2nc3ncccc3[nH]2)C1 534592705 OWWSHGJRCGWJSU-SECBINFHSA-N 275.312 0.018 0 50 CCAA COC(=O)N1CCCC[C@@H]1C(=O)NCc1nnc(N)s1 534591680 OLYYJCRWWKTARQ-SSDOTTSWSA-N 299.356 0.357 0 50 CCAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1CCO 828770942 QDESELJQOMSULX-STQMWFEESA-N 287.319 0.076 0 50 CCAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H]2CCC(=O)NC2)C1 240465826 GAOLJABOEKFXTO-AXFHLTTASA-N 289.401 0.077 0 50 CCAA Cc1ncn(C)c1C(=O)N[C@@H]1CCC[C@H]1N(C)C 670446894 IRLFMKLIXFEFMG-GHMZBOCLSA-N 250.346 0.941 0 50 CCAA COc1cccc2c1OC[C@H](NC(=O)c1n[nH]c(O)n1)C2 670445165 WPJFCCXOBJAQAK-MRVPVSSYSA-N 290.279 0.252 0 50 CCAA Cc1[nH]nc(C2CC2)c1C(=O)NC[C@H]1COCCN(C)C1 670445338 XLAARRYVOKEVDX-LLVKDONJSA-N 292.383 0.904 0 50 CCAA Cn1cc(Cl)c(C(=O)N2C[C@H]3C(=O)OC[C@H]3C2)n1 863754671 UVSGCLNGRRDPPI-RNFRBKRXSA-N 269.688 0.319 0 50 CCAA O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cc(F)c[nH]1 685941571 FIQZRGZWAWJJTR-WDEREUQCSA-N 280.259 0.453 0 50 CCAA CC[C@@H]1CN(C(=O)[C@@H](O)c2cnc[nH]2)C[C@]2(CCOC2)O1 867950624 XLONRFLNZBDCBP-OSMZGAPFSA-N 295.339 0.240 0 50 CCAA Cc1[nH]nc2ncnc(N3CC[C@H](c4nc[nH]n4)C3)c12 1875295461 YSEBKEQWOJJIKE-QMMMGPOBSA-N 270.300 0.773 0 50 CCAA C[C@H]1C[C@@H]1S(=O)(=O)NC(=O)C1SCCS1 1875285186 FYPHGMJOOWPCFY-WDSKDSINSA-N 267.397 0.647 0 50 CCAA O=C(c1n[nH]c2c(O)ncnc12)N1CCCC(F)(F)C1 1875403828 GCHMKYJWZANFEB-UHFFFAOYSA-N 283.238 0.930 0 50 CCAA CCCc1cc(C(=O)N2CC[C@@H]3CNC[C@@H]32)n(C)n1 212627320 CVVKNZJGWDJSEX-MFKMUULPSA-N 262.357 0.807 0 50 CCAA O=C(NCc1nc(=O)o[nH]1)c1cccc2ncccc12 1319625299 PHQBYNLDTNYULX-UHFFFAOYSA-N 270.248 0.841 0 50 CCAA CC(=O)N[C@H](C(=O)N(C)[C@H]1CCOC1)C1CCCC1 109721469 KHIMCNDELRRMII-STQMWFEESA-N 268.357 0.929 0 50 CCAA CN1CC[C@@H](C(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 633984404 LYIYHUYMNBFBMC-RKDXNWHRSA-N 291.277 0.449 0 50 CCAA Cc1nc(=NC(=O)NC[C@@H](C)CN2CCCCC2)[nH]n1C 582589292 QDCIAVXCDVHXCI-LLVKDONJSA-N 294.403 0.789 0 50 CCAA CCN1[C@@H](C)CN(Cc2nc(N)nc(N(C)C)n2)C[C@H]1C 583651173 INLSNIOQDUOPGB-PHIMTYICSA-N 293.419 0.434 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCC2(OC)CCOCC2)N(C)C1 583619706 NZEZHMDDZVKKFQ-RYUDHWBXSA-N 286.372 0.017 0 50 CCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)[C@H]1COc2ccccc2O1 659171482 QAWITUJJHVJZNJ-XXILOJSOSA-N 293.275 0.185 0 50 CCAA C[C@@](O)(CO)CNC(=O)[C@@H]1CCCC(F)(F)C1 302342177 FCNTUBVZWXNIER-SCZZXKLOSA-N 251.273 0.671 0 50 CCAA C[C@H](O)[C@@H](O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 1615541251 JSAQTYDDIIZJRP-UHTWSYAYSA-N 292.335 0.281 0 50 CCAA CCn1ncnc1CN1C[C@H](Cc2cc(C)no2)[C@@H](O)C1 1615735583 WZRMCDHVGRFSKP-AAEUAGOBSA-N 291.355 0.630 0 50 CCAA CN1CCC2(CC1)CN(c1nccc(N)n1)CCO2 1772814909 UMVUXEONDGAHQK-UHFFFAOYSA-N 263.345 0.360 0 50 CCAA COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)O)=C2)cc1 12848909 FXQVNPZQVGKHHJ-UHFFFAOYSA-N 296.304 0.643 0 50 CCAA CC(C)[C@@H]1NCC[C@H]1C(=O)N1CCN(C(=O)N(C)C)CC1 336004343 YFDGHEXJEYPWDD-OLZOCXBDSA-N 296.415 0.446 0 50 CCAA COc1cc(C)nc(N2CC[C@](O)(Cn3ccnn3)C2)n1 671466378 LZPQKQWQQKZQAS-CYBMUJFWSA-N 290.327 0.027 0 50 CCAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N(CCO)CCOCCO 585123861 HUUYIQLEXOQXEF-MELADBBJSA-N 285.384 0.643 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC[C@@H](O)CC1 820432609 DOLXIJVWJFZOKP-LLVKDONJSA-N 254.330 0.394 0 50 CCAA COCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 8379657 OIFHXUCOWKXUJH-UHFFFAOYSA-N 298.364 0.166 0 50 CCAA C[C@@H](C(=O)O)N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 237606486 HFEOPDDZJAJPQW-MJBXVCDLSA-N 283.416 0.950 0 50 CCAA CC(C)COCCN1CC[C@@H]2OCC(=O)N[C@@H]2C1 253398453 QUQJPSSGSHAIFK-NEPJUHHUSA-N 256.346 0.248 0 50 CCAA O=C(C1CC1)N1CCC(C(=O)N2CC=C[C@H]2CO)CC1 95352429 WMMMTAGMIDSUQX-ZDUSSCGKSA-N 278.352 0.394 0 50 CCAA Cc1nc(Cn2c(=O)cnc3ccccc32)n(C)n1 95366493 XMNLEMFVSUFZCG-UHFFFAOYSA-N 255.281 0.882 0 50 CCAA C[C@H]1C[C@@H](C(=O)O)CCN1C(=O)[C@@H](C)n1cncn1 235591835 QXKFZFWUWJDKOV-AEJSXWLSSA-N 266.301 0.551 0 50 CCAA Cc1ccc(N2C[C@H](C(=O)NC[C@H](C)O)CC2=O)cc1 50545 MEDOHCUNFJVPGQ-NWDGAFQWSA-N 276.336 0.845 0 50 CCAA COC(=O)C1=NN(C(=O)c2cccc(OC)c2)[C@](C)(O)C1 291893 BUZXLCLZKHSHMU-CQSZACIVSA-N 292.291 0.779 0 50 CCAA C[C@H](NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)O 1576179 RRUKEZSOGQBOIY-JTQLQIEISA-N 294.307 0.844 0 50 CCAA COc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)c1 2862011 WAIYOLBUTQTIHL-NSHDSACASA-N 285.321 0.933 0 50 CCAA Cc1nn(C)cc1C(=O)N1CC[C@](C)(C(=O)O)C1 224844176 FWXYFTVSFMTQDW-LBPRGKRZSA-N 251.286 0.665 0 50 CCAA CCc1nnc(NC(=O)CN2CCN(C)CC2)s1 23253645 IJCBFOSUGDKZGX-UHFFFAOYSA-N 269.374 0.286 0 50 CCAA CCONC(=O)[C@@H](Cc1ccccc1)n1nnnc1C 118309199 VEJNJTCUUMLQAW-GFCCVEGCSA-N 275.312 0.833 0 50 CCAA OC1(CN=c2[nH]nc(-c3ccon3)s2)CCC1 328801514 JGYYELZXWXWEIB-UHFFFAOYSA-N 252.299 0.942 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@](C)(O)[C@H](C)C1 219565870 ROFQTUNVYPNKJC-PELKAZGASA-N 287.385 0.808 0 50 CCAA CCCc1nc(CS(=O)(=O)[C@H](C)[C@H](C)O)no1 330928697 XTUIAWNHIFWJTA-JGVFFNPUSA-N 262.331 0.706 0 50 CCAA CCOC(=O)C(C)(C)NC(=O)[C@@H]1C[C@]12CCNC2 369815059 WEAFQYNLKAIJNL-ZANVPECISA-N 254.330 0.444 0 50 CCAA COCC[C@H]1CN(C(=O)Cn2ccnc2)CCO1 219075046 IYBKQCWGJZKLKB-NSHDSACASA-N 253.302 0.147 0 50 CCAA O=C(CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)NC1CCCC1 375785761 KWHJMLULEYAGQE-CMPLNLGQSA-N 286.397 0.164 0 50 CCAA CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 35877323 GVAHAUGCQNIZKB-UHFFFAOYSA-N 298.393 0.627 0 50 CCAA Cc1ccccc1CNC(=O)CN1CCOC[C@H](O)C1 77303923 KNPPPYDOQYFWDN-CQSZACIVSA-N 278.352 0.304 0 50 CCAA CC(C)n1cc([C@@H]2CN(S(C)(=O)=O)C[C@H]2CO)cn1 285015912 MQBNIOXYFAEDQK-RYUDHWBXSA-N 287.385 0.431 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1C(N)=O 284677577 VKFRBZILAHHEBI-PSASIEDQSA-N 287.323 0.162 0 50 CCAA CN1CC[C@H](NC(=O)c2ccccc2-n2cnnc2)C1=O 426420652 MJRWMNFWQMIPSX-NSHDSACASA-N 285.307 0.228 0 50 CCAA O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1COCC[C@H]1O 222630085 XNXVXYGDINUFMU-CHWSQXEVSA-N 289.335 0.762 0 50 CCAA Cc1nnc(SCC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)o1 220067594 RQZFPBCJRNRCKH-VGMNWLOBSA-N 269.326 0.764 0 50 CCAA Cc1cc(CN(C)C(=O)N[C@H](CC(=O)O)C(=O)O)ccn1 426409547 VGAGXLVFEUXBLY-SNVBAGLBSA-N 295.295 0.459 0 50 CCAA COCCC(=O)N1CCC[C@H](c2ccn(CC(=O)O)n2)C1 426495600 LFWQTOHJPJBODR-NSHDSACASA-N 295.339 0.710 0 50 CCAA Nc1nnc(CCNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)s1 426509188 ASJIOMNSXNQDMY-NKWVEPMBSA-N 284.341 0.280 0 50 CCAA O=C1C[C@@H](C(=O)NC[C@H]2CCC3(CCCC3)O2)NC(=O)N1 616718753 IMLZIWULFQREIA-ZJUUUORDSA-N 295.339 0.193 0 50 CCAA N=C1C=CC(=C(O)N[C@@H]2CCS(=O)(=O)C2)C=C1 334158940 FKFLGYNCHLLKQB-SNVBAGLBSA-N 254.311 0.678 0 50 CCAA O=C(NC[C@H]1CCCN1)c1ccc(-n2cnnc2)nc1 97413251 IDSDUJNKZXNRBT-LLVKDONJSA-N 272.312 0.144 0 50 CCAA CN(CC[C@H]1CCCCO1)CC(=O)N1CCOCC1 347397325 FQJLOTCJNHGWIB-CYBMUJFWSA-N 270.373 0.736 0 50 CCAA CC(C)OCCN1CCC([C@@H](O)C(=O)NC2CC2)CC1 299753568 YQOLNIOIENCHQR-CQSZACIVSA-N 284.400 0.763 0 50 CCAA Cn1cc(C2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)cn1 299752992 WJIRWHRSAQQMKN-QWHCGFSZSA-N 280.347 0.826 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CC[C@H]2CCCOC2)CCO1 299753446 YGDWLLKMOBDZNE-GHMZBOCLSA-N 271.313 0.505 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)CN(C)Cc1ccc(C)cc1 534635065 CLROBKQJDNULLT-GJZGRUSLSA-N 291.395 0.530 0 50 CCAA CC1(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)COC1 364688241 XLUQIJJGSLJDEH-ZDUSSCGKSA-N 282.384 0.594 0 50 CCAA CN(C)C(=O)CC1CCN(C(=O)c2nccnc2O)CC1 299795121 NWLMPOGVKAJONP-UHFFFAOYSA-N 292.339 0.513 0 50 CCAA CN1CCC(O)(C(=O)NC[C@@H]2CCN(C3CC3)C2)CC1 823759630 ZFHQHDFTUWIQDI-LBPRGKRZSA-N 281.400 0.044 0 50 CCAA N[C@@H](CC(=O)O)C(=O)NCCOc1ccccc1F 828520192 OQEHRWUPVDNSGG-VIFPVBQESA-N 270.260 0.123 0 50 CCAA C[C@@]1(C(=O)OCc2cnns2)CCNC(=O)C1 904175310 WGRMMMHURFSIHV-SNVBAGLBSA-N 255.299 0.498 0 50 CCAA Cc1ccnn1CC(=O)NC[C@@H](C(=O)O)C1CCOCC1 864281126 PWACZWYFDNHMHZ-GFCCVEGCSA-N 295.339 0.435 0 50 CCAA N[C@@H]1CCCN[C@@H]1[C@@H]1CC[C@@H](C(F)(F)F)NC1 757216168 YFGVXXOHRSIJNX-DOLQZWNJSA-N 251.296 0.996 0 50 CCAA N[C@H]1CN[C@H](C(=O)NCc2ccc3c(c2)OCCCO3)C1 67934344 KRYMGKJKHJZKBK-NEPJUHHUSA-N 291.351 0.153 0 50 CCAA O=C(Cc1nc[nH]n1)N1CC[C@]2(c3cccnc3)C[C@H]2C1 1875329080 CYVXYASAHZWBQZ-SWLSCSKDSA-N 283.335 0.932 0 50 CCAA Cc1cc(O)nc(N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)n1 1875399301 VLVIQCFTPNSNRS-IJLUTSLNSA-N 289.339 0.939 0 50 CCAA C=CC(=O)N1CC(C(=O)NCCc2scnc2C)C1 1875387212 UKNVXTFZEKRKOE-UHFFFAOYSA-N 279.365 0.755 0 50 CCAA O=C(NOC[C@H]1CCOC1)[C@@H]1OC[C@@H]2CCC[C@@H]21 879705314 NFCNZXJGTXCCHU-FIQHERPVSA-N 255.314 0.886 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)Nc2cncnc2)C1=O 888076511 PUJMRNKUOZLQPI-LLVKDONJSA-N 278.312 0.443 0 50 CCAA COc1ccc(C(=O)N2CC[C@H](c3nn[nH]n3)C2)o1 1521815447 VMCYBYBTMGJLPI-ZETCQYMHSA-N 263.257 0.431 0 50 CCAA COCCNc1n[nH]c(-c2cccc(S(C)(=O)=O)c2)n1 1775987497 IVVWPHKIOWVEOU-UHFFFAOYSA-N 296.352 0.934 0 50 CCAA CCN(C(=O)CCCn1ccnc1C)[C@@H]1COC[C@H]1O 1775999870 XMNDZKPDIFDXHC-CHWSQXEVSA-N 281.356 0.580 0 50 CCAA CON1CCC(CC(=O)N[C@@H](C)c2nn(C)cc2O)CC1 1363667058 OPJDRTZOIKIZNE-JTQLQIEISA-N 296.371 0.966 0 50 CCAA CC(=O)NC[C@@H]1CCC2(CN(C(=O)c3cocn3)C2)O1 965501215 CFMLKYXJIZIVLZ-JTQLQIEISA-N 279.296 0.184 0 50 CCAA C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 221858625 ZFXJPDSIJLPECP-XXILOJSOSA-N 280.299 0.893 0 50 CCAA C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccnn2C)CCN1C 274137245 ITLRRKMYWKPVGC-QWRGUYRKSA-N 286.401 0.523 0 50 CCAA Oc1nc(NCCCn2cccn2)nc2[nH]ncc12 274694996 RXHSKXDQMQKWGZ-UHFFFAOYSA-N 259.273 0.757 0 50 CCAA CC[C@@H](SC)C(=O)NN1C(=O)N[C@@](C)(CC)C1=O 278541325 AESBXKZYDCKOSF-HQJQHLMTSA-N 273.358 0.880 0 50 CCAA CCS(=O)(=O)NCc1cn([C@@H](C)C(=O)C2CC2)nn1 585138880 XOOGLDLLBVOAGE-QMMMGPOBSA-N 286.357 0.258 0 50 CCAA CC(C)(C(=O)O)n1ccc(NC(=O)[C@H]2CCOC2)n1 659203752 ICTAOEGOZLNJGK-QMMMGPOBSA-N 267.285 0.678 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)C(C)(C)N)C[C@@H]2O)on1 1704298553 JESUWJHWMFUPJO-KOLCDFICSA-N 267.329 0.082 0 50 CCAA COCC1(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 408140296 JHJXNRHQSDFFHS-VIFPVBQESA-N 261.343 0.059 0 50 CCAA COc1nc(C(=O)NS(C)(=O)=O)cc2ccccc12 1875390961 FXQYFNZYDWAQCI-UHFFFAOYSA-N 280.305 0.933 0 50 CCAA CNC(=O)[C@@H]1CN(C[C@]2(C)CCCCO2)CCO1 1616034966 XULQUZNPLZAJCC-AAEUAGOBSA-N 256.346 0.392 0 50 CCAA Cc1nsnc1C(=O)N1C[C@@H]2CNC[C@@]2(CN(C)C)C1 1772712047 ZSEFJPABBXCKAG-GXFFZTMASA-N 295.412 0.070 0 50 CCAA CCN(CC(=O)OC)C(=O)C(F)(F)c1csc(N)n1 1775999471 RSXZKXGDULQZDQ-UHFFFAOYSA-N 293.295 0.839 0 50 CCAA O=C1CO[C@@]2(CCN(c3ccc(Cl)cn3)C2)CN1 1772812358 GMVAXQZIOCYYRT-LBPRGKRZSA-N 267.716 0.830 0 50 CCAA Cc1nc(CCC(=O)N(C)C)n(-c2ccnn2C)n1 1772701334 KFNQUNOUVQEJKN-UHFFFAOYSA-N 262.317 0.330 0 50 CCAA COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 5976558 DFXUYFITVOWQNH-SSDOTTSWSA-N 261.274 0.616 0 50 CCAA COc1ccc(CCN[C@@H]2CC(=O)N(C)C2=O)cc1OC 19881045 DMPHMEINIASPIX-LLVKDONJSA-N 292.335 0.593 0 50 CCAA C[C@H]1C[C@]12NC(=O)[C@@H](CCOC(C)(C)C)NC2=O 1857532765 RRBMZAPXPXAUBS-RWEMILLDSA-N 254.330 0.585 0 50 CCAA COCCc1noc(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)n1 1857741218 JFMRFMDALDMKOP-GRYCIOLGSA-N 297.355 0.230 0 50 CCAA O=C(NCc1cnc2cnccn12)[C@@H]1CCc2ncnn2C1 1857731903 SSKOYCVAWGZAMW-SNVBAGLBSA-N 297.322 0.200 0 50 CCAA CC(C)[C@H]1CN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)CCN1C 408355498 AHNHEXFBMUMJKT-JHJVBQTASA-N 281.400 0.700 0 50 CCAA COc1ccnc(N2C[C@H](OC)C[C@H]2c2nc[nH]n2)n1 343360973 IBROWDKVTXDYMJ-BDAKNGLRSA-N 276.300 0.570 0 50 CCAA O=C(N[C@@H](CO)c1ccccc1)c1ccc2nnc(O)n2c1 351630995 LRZMRYDQGMZPSV-LBPRGKRZSA-N 298.302 0.898 0 50 CCAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCOC[C@H]1C(=O)O 262523333 RCPIZMBFJFRPEJ-KWQFWETISA-N 295.339 0.452 0 50 CCAA Cc1nc(C)c(CNC(=O)[C@@H]2CNCCOC2)s1 649339571 KSODJBMMSMQWCG-SNVBAGLBSA-N 269.370 0.612 0 50 CCAA CC[C@@H]1CN(C(=O)c2cnc(N)s2)CCN1C 584889470 SATFSUNJMCWPIT-MRVPVSSYSA-N 254.359 0.892 0 50 CCAA C[C@@H](NC(=O)C(=O)NCC1CCNCC1)c1ccccc1 2964883 ZEINNSPTXZTQGP-GFCCVEGCSA-N 289.379 0.980 0 50 CCAA CN(C1CCCCC1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1 4110780 YBLZTKIPHRZLLU-NSHDSACASA-N 295.426 0.768 0 50 CCAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1nonc1C 225431742 FSONAZLYEYDZIE-ONGXEEELSA-N 291.311 0.854 0 50 CCAA CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(F)cn2)C1 345471386 LBPQXRZIUBAJSG-UWVGGRQHSA-N 254.261 0.443 0 50 CCAA COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 103183181 NDQQUUGZEQKRBP-HTFCKZLJSA-N 293.319 0.673 0 50 CCAA CCOC(=O)[C@@H](Cc1ccccc1)N1C[C@@H]1C(N)=O 55425289 HLOLXTJETWRSPL-RJKRMVDRSA-N 262.309 0.330 0 50 CCAA CN1CCN(C(=O)c2cccc3c2OCC3)C[C@@H]1C(=O)O 67855198 DRZYDVYTYSAPBX-GFCCVEGCSA-N 290.319 0.462 0 50 CCAA O=C(N[C@H](C(=O)O)c1ccccc1)[C@@H]1CC[C@H](C(=O)O)O1 230116947 HZXXFCJPIBVNBG-AXFHLTTASA-N 293.275 0.561 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)C[C@@H](C)O1 251739730 RFGAOBSGOQOVEK-WISYIIOYSA-N 291.417 0.057 0 50 CCAA O=C([C@H]1C[C@]12CCOC2)N1CCC[C@H]1Cn1ccnn1 329015173 JSRBHYXRDLQSFA-SCRDCRAPSA-N 276.340 0.696 0 50 CCAA COC(=O)N[C@H](C)C(=O)N(C)CCc1c(C)n[nH]c1C 219299762 GHQDGJDZFYAYLD-SNVBAGLBSA-N 282.344 0.772 0 50 CCAA CN(Cc1cn[nH]c1C(=O)O)C[C@H]1CC(=O)N(C)C1 214963504 WQEPXZRYLUWBMB-MRVPVSSYSA-N 266.301 0.018 0 50 CCAA Cc1ncsc1CNS(=O)(=O)c1cn(C)cn1 330614382 ARDRQGPGDYISCY-UHFFFAOYSA-N 272.355 0.664 0 50 CCAA CN(Cc1nccn1C(F)F)[C@@]1(CO)CCOC1 330795640 FAIGYEPJBFHSEB-LLVKDONJSA-N 261.272 0.861 0 50 CCAA C[C@H]1[C@@H](NC(=O)Cc2ccoc2)CCS1(=O)=O 356648234 TWAGUEXASARYBZ-WPRPVWTQSA-N 257.311 0.514 0 50 CCAA O=C1CN(C(=O)NC2CC2)CN1CCC(F)(F)F 333381715 AVPSAMDNFIQXQM-UHFFFAOYSA-N 265.235 0.913 0 50 CCAA O=C1CC[C@@H](C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)N1 128290890 BSBQBQCTTCREGT-QWRGUYRKSA-N 278.312 0.279 0 50 CCAA O=C(NCCN1CCCC1=O)[C@H](O)c1cccc(F)c1 215010296 CDSIYEJTUHMKQR-CYBMUJFWSA-N 280.299 0.598 0 50 CCAA CCCc1noc(CN2CCO[C@H](C)[C@H]2C(N)=O)n1 285347379 ZSCDCVVDHFMIOY-KCJUWKMLSA-N 268.317 0.097 0 50 CCAA O=C(CCc1cccc(O)c1)NCCN1CCC(O)CC1 223150591 JCDPCZNYZRNFQA-UHFFFAOYSA-N 292.379 0.898 0 50 CCAA Cc1nc(C)n(CCCNC(=O)c2cnc(N)nc2C)n1 220229517 MVOALAXCCFKQFV-UHFFFAOYSA-N 289.343 0.396 0 50 CCAA CNS(=O)(=O)c1ccc(N(C)C[C@@H](C)C(=O)O)nc1 263554316 NEDSJQMTCWNXKN-MRVPVSSYSA-N 287.341 0.147 0 50 CCAA C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)[C@H]1CC[C@H](C)CC1 426477299 XYZNUVJACFHNDX-SRVKXCTJSA-N 296.367 0.957 0 50 CCAA O=C(c1nc2ccccc2[nH]1)N1CCN2C(=O)OC[C@@H]2C1 426395421 RZKBAKLYZUVXOJ-VIFPVBQESA-N 286.291 0.840 0 50 CCAA CC(=O)N[C@@H](C)C(=O)N1CCN(c2ccccc2)C(=O)C1 82107985 ZXLATWOERXYGKY-NSHDSACASA-N 289.335 0.386 0 50 CCAA O=C1C[C@@]2(CCN(c3noc(-c4ccccc4)n3)C2)C(=O)N1 82109506 BHRFATKITBUMSC-OAHLLOKOSA-N 298.302 0.980 0 50 CCAA COc1cc(N[C@@H]2CCOC[C@H]2OC)nc(OC)n1 222988765 DTRDFNOTBFPRGY-RKDXNWHRSA-N 269.301 0.710 0 50 CCAA CC[C@@H]1CN(Cc2cnn(CCC(=O)O)c2)CCN1C 97813650 MFLZVFKESJAPDN-CYBMUJFWSA-N 280.372 0.884 0 50 CCAA O=C([C@H]1COc2ccccc2C1)N1CCS(=O)(=O)CC1 95503041 BNMHHKMMIOZBLZ-GFCCVEGCSA-N 295.360 0.495 0 50 CCAA CCn1cc(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)cn1 91504329 XLQBQAIDRIMMQL-OAHLLOKOSA-N 290.367 0.988 0 50 CCAA CCc1nccn1CCN1CCO[C@@H](CCN)C1 243893553 ASAPWMIHMJNPBY-LBPRGKRZSA-N 252.362 0.495 0 50 CCAA C[C@H](CN(CCO)Cc1nccn1C)N1CCCC1 244811658 SISVKROVWLGPFH-CYBMUJFWSA-N 266.389 0.699 0 50 CCAA O=C(CC1Cc2ccccc2C1)NCCN1CCNC1=O 244724286 MREVCFICBSQGIV-UHFFFAOYSA-N 287.363 0.933 0 50 CCAA O=C([C@@H]1C[C@@H](O)CN1)N1CC[C@@H](Cc2ccccc2)C1 299748705 HXIZJPPQYKAPBM-ZNMIVQPWSA-N 274.364 0.800 0 50 CCAA CC(C)[C@@H](C(=O)N(C)CCC(=O)O)N1CCCC1=O 299752270 TVHDKCCMURWEJO-LBPRGKRZSA-N 270.329 0.567 0 50 CCAA O=C(Cn1cc(-c2ccccc2)nn1)N1CCC[C@H](O)C1 268511917 WUENRGVFMYDULQ-ZDUSSCGKSA-N 286.335 0.928 0 50 CCAA O=C(O)C[C@H]1CN(C2CCOCC2)C[C@H]1c1c[nH]nn1 299784109 YYCFTDOIPDXRNP-GXSJLCMTSA-N 280.328 0.474 0 50 CCAA CN(C)CCN(C)C1CCN(C(=O)c2cncnc2)CC1 584901211 CCZQVUILXSHQNB-UHFFFAOYSA-N 291.399 0.575 0 50 CCAA NC(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2CO)cc1 584896485 SKIJNLCXWFKCNU-CYBMUJFWSA-N 291.351 0.842 0 50 CCAA CNC(=O)C[C@H]1CCN(Cc2[nH]cc(C)c(=O)c2C)C1 670435749 IOGPYWCRJPGZIS-GFCCVEGCSA-N 277.368 0.950 0 50 CCAA C[C@H](CO)N1CCN(c2ccnc3ccnn23)CC1 1875303279 KODFRLYHVRUQTK-LLVKDONJSA-N 261.329 0.232 0 50 CCAA CC(C)n1ccc(Cn2cc(O[C@@H]3COC[C@@H]3N)cn2)n1 685943444 WRCUNPWSQNZXTL-UONOGXRCSA-N 291.355 0.814 0 50 CCAA Cn1cnc(S(=O)(=O)NC2(C)CCOCC2)c1 269782523 VTHZDAVAWGJJRF-UHFFFAOYSA-N 259.331 0.268 0 50 CCAA Cc1nccn1C[C@H](C)CNC(=O)[C@H]1CCCN(C)C1=O 871596519 MWVRXNFNUHSVRL-DGCLKSJQSA-N 292.383 0.812 0 50 CCAA C[C@@H]1COC[C@@](CO)(CNCc2cc(C3CC3)n[nH]2)N1C 1875398895 IJMJZGGQLXUWJQ-ABAIWWIYSA-N 294.399 0.458 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H]1CCO[C@H](c2cnn(C)c2)C1 1875375653 HXOVNCZOSWYVJS-WEHDMVHDSA-N 292.383 0.874 0 50 CCAA CN1CCCCC[C@H]1C(=O)NC1CCN(CC(=O)O)CC1 952990276 XUJFQAVZGJURQW-ZDUSSCGKSA-N 297.399 0.526 0 50 CCAA CCN(C[C@@H]1CCCCO1)C(=O)CN1CCOC1=O 952977179 PITSTTLUGOGAOG-NSHDSACASA-N 270.329 0.856 0 50 CCAA CO[C@@H]1CN(Cc2ccncc2F)C[C@H]1c1cn(C)nn1 888078259 DTMWJTYSNGSYEL-SMDDNHRTSA-N 291.330 0.964 0 50 CCAA CC1(C)C[C@H](NC(=O)N2CCS(=O)(=O)CC2)CCO1 407984198 WFGBENQQDYFHCE-SNVBAGLBSA-N 290.385 0.384 0 50 CCAA CCc1ccc(S(=O)(=O)N2CCO[C@@H](CO)C2)s1 168487932 VZIXFFCVLWJJFM-SECBINFHSA-N 291.394 0.692 0 50 CCAA Oc1nc(N2CCO[C@@H]3CCC[C@@H]32)nc2[nH]ncc12 280663046 XSVHPSDHIPQMMJ-DTWKUNHWSA-N 261.285 0.816 0 50 CCAA CN(C)[C@@H]1C[C@@H](N=c2[nH]ccn3cnnc23)C1(C)C 585092170 IBNQNHCOKMNHNI-NXEZZACHSA-N 260.345 0.687 0 50 CCAA CC1(C)C[C@H](O)CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)C1 585132211 QOIYZLJWSYZBGQ-BFHYXJOUSA-N 296.411 0.859 0 50 CCAA CCC(=CC(=O)N1CC[C@@](O)(Cn2ccnn2)C1)CC 794175679 IQNLESGDJGMKCW-AWEZNQCLSA-N 278.356 0.988 0 50 CCAA O=C(NCCOCCO)c1cccc2nccnc12 97243736 YUJSHQSJURBIHN-UHFFFAOYSA-N 261.281 0.369 0 50 CCAA CCOCCc1nnc(NC(=O)[C@@H]2CC(=O)N(C)C2)s1 1529155140 OTDDSOKDVXGIGX-MRVPVSSYSA-N 298.368 0.534 0 50 CCAA C[C@H]1C(=O)N2CCC[C@H]2CN1C(=O)c1nc(Cl)n(C)n1 1857668357 MOIKFVYWNMPYRU-YUMQZZPRSA-N 297.746 0.304 0 50 CCAA O=C(C1CCOCC1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857713124 FIDYOHZLDDQOGH-KGYLQXTDSA-N 269.341 0.411 0 50 CCAA CCNC(=O)N1CCN(C(=O)c2cnns2)CC1 408116715 ZHDFYPACUVGDDL-UHFFFAOYSA-N 269.330 0.025 0 50 CCAA CCC[C@@]1(CO)CCCN1C(=O)[C@@H](C)NS(C)(=O)=O 331278623 AAFISZMMROIHDJ-PWSUYJOCSA-N 292.401 0.078 0 50 CCAA O=C(C[C@@H]1CCCCO1)N1CC[C@](F)(C(=O)O)C1 263250440 HDJYDMVJPQSFQP-JOYOIKCWSA-N 259.277 0.971 0 50 CCAA CC(=O)CCCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O 12364092 MQGNNJQTNFHNHK-MNOVXSKESA-N 280.328 0.308 0 50 CCAA O=C(NCCN1CCOCC1)c1ccc2c(c1)OCCO2 19721940 SBCPHKWRHYEBBB-UHFFFAOYSA-N 292.335 0.520 0 50 CCAA Cc1cccc(CNC(=O)N2CCOC3(CNC3)C2)c1 333912920 LZDLCIPLVHMQJZ-UHFFFAOYSA-N 275.352 0.879 0 50 CCAA CCN1C[C@@H](C(=O)N=c2nc[nH]n2C(C)(C)C)CC1=O 330426849 JYOVDBNUZMEVJY-VIFPVBQESA-N 279.344 0.262 0 50 CCAA COC(=O)c1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1 584090881 YMZOZLAWBQVMFG-CHWSQXEVSA-N 293.319 0.289 0 50 CCAA CC1(C)[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1N 398346650 PVYNREAUEVNQBG-NEPJUHHUSA-N 286.339 0.518 0 50 CCAA C[C@@H]1c2cccn2CCN1C(=O)CC[C@@H]1NC(=O)NC1=O 1248600905 PQYPLFAGTYDJMS-ZJUUUORDSA-N 290.323 0.380 0 50 CCAA C=CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1120462321 NICVNNZQLSAHPB-SNVBAGLBSA-N 270.329 0.925 0 50 CCAA COc1ccc(CC(=O)N2CC(C(=O)O)C2)nc1 1123289129 HHUASVSWYXTIRO-UHFFFAOYSA-N 250.254 0.176 0 50 CCAA COCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 2993070 FZVVARPSDBTSBQ-UHFFFAOYSA-N 281.264 0.845 0 50 CCAA O=C(OC[C@H]1CO1)[C@H]1CC=CC[C@H]1C(=O)OC[C@@H]1CO1 245205007 KTPIWUHKYIJBCR-IWDIQUIJSA-N 282.292 0.453 0 50 CCAA CN(Cc1nnnn1-c1ccccc1)S(C)(=O)=O 177590657 PBNKHFKKSRWPDE-UHFFFAOYSA-N 267.314 0.054 0 50 CCAA CN(C[C@@H]1CCS(=O)(=O)C1)C[C@](C)(O)C(F)(F)F 407952853 ANWNZZGZABNXHX-IUCAKERBSA-N 289.319 0.666 0 50 CCAA CC(C)n1ccc(C(=O)NCCCc2nn[nH]n2)n1 426668307 KRIWNZWUKQAYBQ-UHFFFAOYSA-N 263.305 0.340 0 50 CCAA O=C(O)[C@H]1C[C@@H]1C(=O)NCc1nccc(C(F)(F)F)n1 634842002 DFPWNNMBAYIQAO-WDSKDSINSA-N 289.213 0.832 0 50 CCAA CC(C)(C)c1nnc(NCCN2CCNC2=O)o1 91745574 DERZKCQYOYRQKG-UHFFFAOYSA-N 253.306 0.804 0 50 CCAA CCC[C@@H](C(=O)O)N1CCN(c2cnccn2)CC1 574091593 IVVASJRHUMDMFR-NSHDSACASA-N 264.329 0.852 0 50 CCAA Cc1c[nH]c(=NCCn2cnc(C(=O)O)c2)nc1C 386483880 QYIDNCZYIWKVAT-UHFFFAOYSA-N 261.285 0.522 0 50 CCAA Cn1cncc1C(=O)NC[C@@H]1Cc2ccccc2CN1 721056305 BUEJYEZYAIVSGK-ZDUSSCGKSA-N 270.336 0.864 0 50 CCAA Cn1nccc1C(=O)NCCN1C(=O)OC(C)(C)[C@@]1(C)O 140357 MAJUTAUHFUBTNP-CYBMUJFWSA-N 296.327 0.089 0 50 CCAA Cn1c(=O)[nH]c(NCc2ccccc2)c(NC=O)c1=O 330348 DLMFYJGIONIUGO-UHFFFAOYSA-N 274.280 0.254 0 50 CCAA O=C(O[C@@H]1CO[C@@H]2[C@H](OC(=O)C3CC3)CO[C@H]12)C1CC1 2325769784 MKSRISMCJDCLNG-DDHJBXDOSA-N 282.292 0.428 0 50 CCAA CC(C)N(CCc1nn[nH]n1)C(=O)[C@H]1CO[C@@H](C)C1 2325808784 WPGYXMURGXMQJQ-VHSXEESVSA-N 267.333 0.404 0 50 CCAA Cc1cc(C)cc(OC[C@H](O)CN(CCO)CCO)c1 2940833 MUWPQNNPDWAEST-CQSZACIVSA-N 283.368 0.330 0 50 CCAA Cc1nn(C)c2sc(C(=O)NCc3nnn(C)n3)cc12 225613273 DYMSHGSPXXHNDN-UHFFFAOYSA-N 291.340 0.397 0 50 CCAA Cc1cc(N2CCN(C)[C@]3(CCNC(=O)CC3)C2)ncn1 107656415 ZRLUUEXLWKFBOF-OAHLLOKOSA-N 289.383 0.576 0 50 CCAA COc1cccc(-c2nnc(S)n2N)c1OC 20588184 VBAAKQAPGDQFDD-UHFFFAOYSA-N 252.299 0.965 0 50 CCAA CCCNc1ncc(CN2CCN(C)[C@H](C(=O)O)C2)cn1 67784016 KOMOOYPSFZHNLC-LBPRGKRZSA-N 293.371 0.499 0 50 CCAA O=C(O)[C@H]1CC(=O)N(CCCOc2cccnc2)C1 65535631 FVYBPYSTTIMVIG-JTQLQIEISA-N 264.281 0.784 0 50 CCAA COCCCC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328635722 UXSKKIWSCPTWKT-LLVKDONJSA-N 266.345 0.651 0 50 CCAA Cc1nsc2ncn(CCCS(C)(=O)=O)c(=O)c12 330459908 USCQOERBWYZZCA-UHFFFAOYSA-N 287.366 0.596 0 50 CCAA CCN(Cc1nc(COC)no1)C(=O)c1cn[nH]c1 216404028 FRLAOVQTQLWHAN-UHFFFAOYSA-N 265.273 0.601 0 50 CCAA Cn1cnc(C(=O)N[C@@H]2CCO[C@H]2c2cc[nH]n2)c1 628205473 QJBYBYRDIJUZJS-LDYMZIIASA-N 261.285 0.403 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1N(C)C 257366169 METNMEBSJJKENI-GRYCIOLGSA-N 267.373 0.263 0 50 CCAA CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@]2(CCN(C)C2)C1 366544702 NCIJOBBXHSDLQD-BXUZGUMPSA-N 282.388 0.378 0 50 CCAA O=C(c1cn[nH]n1)N(CCCO)Cc1cccnc1 72137338 HERMVBUBGVFZDT-UHFFFAOYSA-N 261.285 0.225 0 50 CCAA Cc1ccc(CCC(=O)NCC(=O)NCCCN)cc1 237534591 PVUILSXHQRYLIW-UHFFFAOYSA-N 277.368 0.509 0 50 CCAA Nc1nccnc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 262257486 TWWHXVIJGPDGLK-VIFPVBQESA-N 278.312 0.776 0 50 CCAA COC[C@H]1CN(C(=O)Nc2ccccn2)CCO1 173209303 NFINVNFMGLSSGD-SNVBAGLBSA-N 251.286 0.961 0 50 CCAA O[C@@]1(CNCCSc2ccccn2)CNCCOC1 77504884 JVOVDDHMIVUWGS-CYBMUJFWSA-N 283.397 0.114 0 50 CCAA Cn1ncnc1CCNC(=O)[C@H]1CCC[C@H](O)C1 218975749 FENNTPLIOJWYIC-UWVGGRQHSA-N 252.318 0.025 0 50 CCAA CO[C@H]1OC[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1OC 43763621 OOANEMFXAULNFI-CZXHOFHRSA-N 282.292 0.591 0 50 CCAA O=C(NCCc1ccc(F)cc1)[C@@H]1COCCO1 47953979 RHMIATFGJGFPRQ-LBPRGKRZSA-N 253.273 0.900 0 50 CCAA Cc1onc(N)c1S(=O)(=O)N(C)Cc1nccs1 290707347 JCPPKGUXUCOALH-UHFFFAOYSA-N 288.354 0.842 0 50 CCAA CS(=O)(=O)NC(=O)c1ccnc(C2CCCC2)n1 161868072 UFXOIHCJGBNTKH-UHFFFAOYSA-N 269.326 0.824 0 50 CCAA COCc1noc(CNC(=O)[C@@H](C)N2CCCCC2)n1 426612950 SPEGNGJKKGIDAY-SNVBAGLBSA-N 282.344 0.707 0 50 CCAA N[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1C1CC1 91645681 ZCWIQFRQIGSSIE-OLZOCXBDSA-N 275.352 0.434 0 50 CCAA O=C(O)Cn1nc(C2CC2)nc1CCc1cnccn1 97730223 MEXNOYZXGPUXPG-UHFFFAOYSA-N 273.296 0.815 0 50 CCAA O=C1C[C@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)CCN1 238021116 IIJNSBXXIUBFEA-ZYHUDNBSSA-N 276.292 0.455 0 50 CCAA CCn1cnnc1CCNC(=O)c1c(C)cc(C)[nH]c1=O 91655969 MYOMAMZZUIGHKS-UHFFFAOYSA-N 289.339 0.576 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C2(N)CCCC2)CC1=O 299749763 LKYUPSULAPUYCY-OUAUKWLOSA-N 265.357 0.383 0 50 CCAA CC[C@@H](CNC(=O)Cc1cc(C)no1)N1CCOCC1 534654412 MJRCWZYLVGZRJT-LBPRGKRZSA-N 281.356 0.753 0 50 CCAA C[C@H](CCNC(=O)CCc1cn[nH]c1)N1CCN(C)CC1 534592221 LXKNNBXDHDYKRC-CYBMUJFWSA-N 293.415 0.485 0 50 CCAA CC(=O)N[C@@H]1C[C@H](C(=O)N2CCC(C)(C)CC2)C[C@H]1O 1940198309 DHLFBEBEULYYSW-YNEHKIRRSA-N 282.384 0.911 0 50 CCAA C=CC(=O)N1CC(N2CCN(C(=O)OC(C)(C)C)CC2)C1 399645363 FQSFGZCTDMXYAM-UHFFFAOYSA-N 295.383 0.936 0 50 CCAA O=C1CCCN1CCC(=O)N1C[C@H]2CC[C@@H](C1)NC2 827977147 GANCAFGPJDFZOS-RYUDHWBXSA-N 265.357 0.209 0 50 CCAA Cc1[nH]c(=N)sc1CC(=O)N[C@@H](C)c1n[nH]c(=N)s1 584889649 QKIIAXKSKHADKS-YFKPBYRVSA-N 298.397 0.548 0 50 CCAA CCc1ccc2ncn([C@H]3COC[C@@H]3O)c(=O)c2c1 584895765 PJSGHBIXBYNKPH-STQMWFEESA-N 260.293 0.891 0 50 CCAA CN(C)S(=O)(=O)N(C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 670444957 SVRLGRDHGJBOBD-JTQLQIEISA-N 291.417 0.372 0 50 CCAA COCC(=O)N[C@H]1CC12CCN(CCC1(O)CCC1)CC2 952895621 YPQVLJJHSTWASQ-ZDUSSCGKSA-N 296.411 0.909 0 50 CCAA Cn1cc(CC(=O)N2CC[C@@H](c3cc[nH]n3)C2)cn1 1875285918 GRQADIJTCUDULI-LLVKDONJSA-N 259.313 0.702 0 50 CCAA CC[C@H](C)C(=O)N[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1875286457 UEJXBGDQZRIYOU-VHSXEESVSA-N 264.329 0.688 0 50 CCAA C=CC(=O)N1CCC[C@@](O)(C2(C(=O)O)CCC2)C1 1875369926 QUGFVWYQFDPTQQ-ZDUSSCGKSA-N 253.298 0.781 0 50 CCAA CN(C)C/C=C/C(=O)NCc1ccc2nonc2c1 1875376858 LCVMOSMCZXSONK-ONEGZZNKSA-N 260.297 0.957 0 50 CCAA COc1cc(S(=O)(=O)NCc2cc(C)no2)sn1 1413279112 HBWWWSNRHHSAPV-UHFFFAOYSA-N 289.338 0.927 0 50 CCAA CCn1cc(S(=O)(=O)NCc2cnsc2)cn1 1776005725 IKJMTJAAHYWKGN-UHFFFAOYSA-N 272.355 0.838 0 50 CCAA Cc1cc(N2CC[C@H](Nc3ncccn3)C2=O)n(C)n1 301473172 QQQXQWKAUYYPMU-JTQLQIEISA-N 272.312 0.736 0 50 CCAA O=C(NCc1cnc(C2CC2)o1)c1ccc2c(c1)COB2O 584999900 NPAXPOAWGCNYCE-UHFFFAOYSA-N 298.107 0.700 0 50 CCAA CC1=NO[C@@H](CNS(=O)(=O)c2c(C)nn(C)c2C)C1 585114473 CLRXHSBWVAUJLU-SNVBAGLBSA-N 286.357 0.480 0 50 CCAA C[C@H](CC(=O)NCc1cc(C(N)=O)no1)C1CCNCC1 570630224 QTULLUQXYPRMQE-SECBINFHSA-N 294.355 0.416 0 50 CCAA O=C(NCCc1cn2ccccc2n1)[C@]1(O)CCCNC1 662672181 XIMMUSJNFOQJOP-HNNXBMFYSA-N 288.351 0.108 0 50 CCAA CCc1nc(C)sc1C(=O)N[C@H]1CCNC[C@@H]1O 213068027 WQPCXBUFGQKNAR-UWVGGRQHSA-N 269.370 0.467 0 50 CCAA Nc1ncccc1CN1C[C@H]2COCC[C@@]2(C(=O)O)C1 1601221909 RJIWZLXDFTXABL-SMDDNHRTSA-N 277.324 0.587 0 50 CCAA CCOCC(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615737093 NSNRAGHYJNWKLQ-STQMWFEESA-N 264.325 0.792 0 50 CCAA CCc1ncnc(N2CCN3CCOC[C@H]3C2)c1F 371810651 SBFXKGIIAQZKOT-SNVBAGLBSA-N 266.320 0.699 0 50 CCAA COCCN1CCN(C[C@H]2CCC(=O)N(C(C)C)C2)CC1 1772815215 KVRKYLWASIKWLN-OAHLLOKOSA-N 297.443 0.897 0 50 CCAA CN1C[C@H](CN2CCN(CCCCO)CC2)CCC1=O 1775977190 IETATFHXHKVBTK-CQSZACIVSA-N 283.416 0.245 0 50 CCAA COc1ccc(CN2C[C@H]3[C@H](C2)C3(CO)CO)cn1 1772708915 DAFIATYKEYDDJX-RYUDHWBXSA-N 264.325 0.123 0 50 CCAA O=S(=O)(c1ccccc1Cl)N1CCNCC1 34781248 BVKKRWPRNWNKTH-UHFFFAOYSA-N 260.746 0.934 0 50 CCAA in-vitro COCCCNCc1ccc(OCC(N)=O)c(OC)c1 13722280 LVKAZYQBKZMMAK-UHFFFAOYSA-N 282.340 0.685 0 50 CCAA Cc1nc(CNC(=O)[C@H]2[C@@H]3CC[C@H]2CN3)n(C)c1C 1857684486 POMGDWLMYMKOGT-GMXVVIOVSA-N 262.357 0.651 0 50 CCAA CCn1nccc1C(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857732619 YNFKGGZURIQKPM-RISCZKNCSA-N 290.323 0.076 0 50 CCAA O=C(c1cccnc1)N1CCO[C@H](Cn2cccn2)C1 111087685 FLBFEGKOZDCRSD-ZDUSSCGKSA-N 272.308 0.819 0 50 CCAA COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2508282 OHYMUFVCRVPMEY-SSDOTTSWSA-N 261.274 0.918 0 50 CCAA in-vitro CCN(C(=O)c1cc2n(n1)CCCO2)[C@@H]1CC(O)=NC1=O 330353835 OXCZENKLTTYJOP-SECBINFHSA-N 292.295 0.383 0 50 CCAA CCn1nncc1CN1CCC[C@]1(COC)C(=O)NC 643765933 RWYKFNGIEQHCCJ-ZDUSSCGKSA-N 281.360 0.025 0 50 CCAA Cc1n[nH]cc1CNC[C@@]1(N2CCOCC2)CCCOC1 362224699 YRZCMEHBLULRJX-HNNXBMFYSA-N 294.399 0.689 0 50 CCAA COc1cccc(CCNC(=O)[C@H]2C[C@@H](O)CN2)c1 226311096 IXGGDFGFJWKTQU-DGCLKSJQSA-N 264.325 0.077 0 50 CCAA Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)nc1 251225440 JTYAUTHRYLJKOK-CNVPUSNMSA-N 274.276 0.983 0 50 CCAA COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 4839169 XYBDMOZNHSWIEK-UHFFFAOYSA-N 299.348 0.803 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)C2C[C@H](C)O[C@@H](C)C2)CCO1 260129763 ZPHVIBPNAVPHGL-NHCYSSNCSA-N 285.340 0.590 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)c1cncc(Cl)c1 307859791 TYWQAJZQOXJAGE-UHFFFAOYSA-N 285.731 0.823 0 50 CCAA O=C(NC[C@H]1C[C@@H](O)C1)c1n[nH]cc1-c1ccncc1 2325797949 AZIOLGQITAIHCR-JGZJWPJOSA-N 272.308 0.972 0 50 CCAA CN(C)C(=O)[C@H](CNC(=O)C1(CN)CC1)c1ccccc1 2325805537 PLSVNIOGPMPMKC-CYBMUJFWSA-N 289.379 0.714 0 50 CCAA O=C(N[C@H]1CCCC2(CC2)C1)N[C@@H]1CCNC1=O 895624656 ACITVHYKJSKRNE-VHSXEESVSA-N 251.330 0.897 0 50 CCAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCN1CCOCC1 105252 ZFVOIDZFVVBEQC-NEPJUHHUSA-N 298.770 0.836 0 50 CCAA COc1nc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nn1C 2356164612 ZUHUKPVRIVDTMM-WDEREUQCSA-N 288.307 0.212 0 50 CCAA CC(C)(C)N1C[C@@H](C(=O)N2CCC(C(=O)O)CC2)CC1=O 20200896 FBGNNNVCJXWVHL-NSHDSACASA-N 296.367 0.957 0 50 CCAA Cc1ccc(N2CCN(C(=O)[C@@H]3[C@H]4CNC[C@H]43)CC2=O)cc1 101753495 ZKCGAPIYGWFGLQ-FOLVSLTJSA-N 299.374 0.636 0 50 CCAA Cc1cccc(C(=O)NC[C@H](O)c2nccn2C)n1 20774121 RNVVCCSGGWHOTR-NSHDSACASA-N 260.297 0.587 0 50 CCAA CCc1cnc(C)nc1NCCn1[nH]c(=O)ccc1=O 65386956 UPPWSRROXGMXDV-UHFFFAOYSA-N 275.312 0.310 0 50 CCAA CCn1ccnc1C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C 330133831 MDRNAQHRYGOIOJ-VOQFUICPSA-N 269.370 0.885 0 50 CCAA CC[C@@]1(O)CCN(c2nc(OC)cc(OC)n2)C[C@H]1O 72447915 DLJOUOPZCRHQDZ-NOZJJQNGSA-N 283.328 0.206 0 50 CCAA Cc1cc2c(=O)n(C[C@@H]3CNCCO3)cnc2s1 32587262 AVIUTSXITPODLK-VIFPVBQESA-N 265.338 0.755 0 50 CCAA O=C(NCCN1CCNC1=O)c1cccc2ccnn12 72154709 MDOYSHKPKJHZQK-UHFFFAOYSA-N 273.296 0.089 0 50 CCAA O[C@@H](CN1CCCC[C@H]1Cn1cncn1)Cn1cccn1 257365016 GQVDGXQFSSEUNY-KBPBESRZSA-N 290.371 0.390 0 50 CCAA Cc1cc(N)n(CC(=O)NCCNc2ccncc2C)n1 219161848 WMYGULIOYUZIAO-UHFFFAOYSA-N 288.355 0.705 0 50 CCAA Cc1cc(C)c(C(=O)NCc2cn(CC(=O)O)nn2)o1 262859574 YUPDNJIKGYOOGV-UHFFFAOYSA-N 278.268 0.503 0 50 CCAA O=C(CCCCc1cnn[nH]1)N1CC(F)(F)C[C@H]1CO 372554847 QOPKYRKEZYIVJS-JTQLQIEISA-N 288.298 0.746 0 50 CCAA Cc1cccc(OC[C@H](O)CNC(=O)/C=C/CN(C)C)c1 492169201 UOSMKACGAFLMLS-LHRNQBEKSA-N 292.379 0.969 0 50 CCAA OC[C@H]1COCCN(CCn2cc(Cl)cn2)C1 77487674 WUPYUBCHOQLLPQ-JTQLQIEISA-N 259.737 0.477 0 50 CCAA CN1C(=O)CC[C@H]1C(=O)N1CCSC2(CCOCC2)C1 336535132 WHPZJBGNWZOTEQ-NSHDSACASA-N 298.408 0.732 0 50 CCAA CCN(C[C@H]1CCCCO1)C(=O)c1c[nH]c(=O)cn1 221388354 PXRYGMIJSPMXEW-SNVBAGLBSA-N 265.313 0.801 0 50 CCAA Cc1c[nH]c(C(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)n1 223720944 LCGJFLCZCHHZAV-NEPJUHHUSA-N 296.371 0.184 0 50 CCAA CCc1cnc(Cn2nnc3c(cnn3C)c2=O)o1 531481832 TUTPRTNOMUFCNZ-UHFFFAOYSA-N 260.257 0.124 0 50 CCAA CC(C)Oc1cccc(C(=O)N2CCS(=O)(=O)CC2)n1 179090881 APWQLAQTPCYJQF-UHFFFAOYSA-N 298.364 0.739 0 50 CCAA C[C@@H](Cc1cnn(C)c1)NC(=O)N[C@H]1CCCN(C)C1=O 527990883 RPXBKYSPYNGLFJ-JQWIXIFHSA-N 293.371 0.271 0 50 CCAA Cc1cnc(CNC(=O)[C@@H]2CSC(C)(C)C(=O)N2)cn1 97696199 XNDSTEQDBQZWHR-JTQLQIEISA-N 294.380 0.411 0 50 CCAA CC(C)n1cnnc1CN(C)C(=O)[C@@H]1CSCN1C 95356014 RIYWOZZWHLVBFG-JTQLQIEISA-N 283.401 0.822 0 50 CCAA CC(=O)NCCNC(=O)[C@H](c1ccccc1F)N(C)C 95376183 ARECSPFGPUDVJE-ZDUSSCGKSA-N 281.331 0.681 0 50 CCAA COc1c[nH]c(C(=O)N[C@H]2CCSC2)cc1=O 97743429 MGWXKYUWNWVUTB-ZETCQYMHSA-N 254.311 0.619 0 50 CCAA COCCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 245905548 LSCDNVFQFQNEMG-RYUDHWBXSA-N 255.362 0.759 0 50 CCAA CCc1ccnc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 181703227 RMOVHDYCKGNILV-JTQLQIEISA-N 268.338 0.561 0 50 CCAA CC(=O)NCCNC(=O)NCc1ccc2c(c1)C[C@@H](C)O2 534669272 VFCHRVAIEUVBPG-SNVBAGLBSA-N 291.351 0.945 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)NCc1noc(C2CC2)n1 534651726 YUFILMKQTNXOSR-UHFFFAOYSA-N 277.284 0.543 0 50 CCAA C[C@@H](CNS(=O)(=O)C1CC1)NCCc1ncc[nH]1 534644684 CTQYFBJUITVHSI-VIFPVBQESA-N 272.374 0.012 0 50 CCAA Cc1nc(NCCc2n[nH]c(=O)[nH]2)cc([C@H]2CCOC2)n1 299800396 WJYYANZFKQQQKP-VIFPVBQESA-N 290.327 0.355 0 50 CCAA CC[C@@H](NC(=O)COCC(N)=O)c1ccc(C)cn1 299778526 HKUDDNJJISICQG-SNVBAGLBSA-N 265.313 0.459 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)Cc1c(C)noc1C 824506621 MHGICKSLXQVPMH-QWRGUYRKSA-N 254.286 0.364 0 50 CCAA CN1CCOC[C@@H](CNC(=O)c2cncc(O)c2)C1 584892195 CQXGNZKRQGXPJY-JTQLQIEISA-N 265.313 0.095 0 50 CCAA O=C(N1CCOCC1)N1CCC(N[C@H]2CCCOC2)CC1 670462983 GOEYDOQGWGQMAX-AWEZNQCLSA-N 297.399 0.672 0 50 CCAA C=CC(=O)NCC(=O)N1c2ccccc2C[C@@H]1CO 1875302769 GRPYUTBABGEHPX-LLVKDONJSA-N 260.293 0.239 0 50 CCAA CNC(=O)Cn1nc(C)c2c(-c3cnn(C)c3)ccnc21 1875321620 ONFBDKLINZNUAW-UHFFFAOYSA-N 284.323 0.886 0 50 CCAA CC(C)OC[C@H](N)C1(O)CCC2(CC1)OCCO2 958527886 HUUWKVDXNQUZPY-NSHDSACASA-N 259.346 0.787 0 50 CCAA Cc1cccc(=O)n1CCC(=O)N1C[C@@H](O)[C@H](F)C1 952980695 QYFYPUSUXSHKRA-GHMZBOCLSA-N 268.288 0.088 0 50 CCAA Cn1nc(C(=O)NCc2ccc(NC(N)=O)cc2)cc1O 1411619012 UFOCFQMUQVFGHL-UHFFFAOYSA-N 289.295 0.546 0 50 CCAA Cc1nn(C)cc1CN1CCN(Cc2ccnn2C)CC1 1413085292 BURRFDPGUHXEOD-UHFFFAOYSA-N 288.399 0.780 0 50 CCAA O=S1(=O)CCC(CN[C@@]23CCC[C@@H]2NCC3)CC1 1775961179 FDKCXBTUUOBRRT-QWHCGFSZSA-N 272.414 0.685 0 50 CCAA CN(C)C(=O)[C@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1cccn1C 1775960947 BQEXFCFQKUWQDD-UHTWSYAYSA-N 291.351 0.485 0 50 CCAA CS(=O)(=O)NC(=O)C[C@@H]1COc2ccccc2O1 408488568 ZBAKGZPKRRYINR-MRVPVSSYSA-N 271.294 0.292 0 50 CCAA Cn1cc(CCC(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)cn1 1565525287 SIVRGQOBZOVDRM-RYUDHWBXSA-N 276.340 0.289 0 50 CCAA O=C1CN(Cc2cn([C@@H]3CCCCC[C@H]3O)nn2)CCN1 899725100 MTMZSHWJYHOIPK-CHWSQXEVSA-N 293.371 0.076 0 50 CCAA Cn1cc(CCNC(=O)c2nnc(C3CC3)o2)cn1 631328039 HEYXMZSCFWRIGL-UHFFFAOYSA-N 261.285 0.653 0 50 CCAA O=C1C[C@H](C(=O)N(C[C@H]2CCCN2)C2CC2)CCN1 186536262 FYYUKUJTJWOOJQ-GHMZBOCLSA-N 265.357 0.256 0 50 CCAA Cc1[nH]ccc1C(=O)N1CCC[C@](O)(CC(N)=O)C1 644003280 DYKUWUAQDYDMHT-ZDUSSCGKSA-N 265.313 0.166 0 50 CCAA CCCCCOCC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C 585126292 VNQUWHXWACOMKN-UONOGXRCSA-N 285.432 0.944 0 50 CCAA CC(C)[C@@H](CCO)NC(=O)c1ccn2nccc2n1 585129254 CVCPQUBHWZFBQD-SNVBAGLBSA-N 262.313 0.866 0 50 CCAA Cc1nn2c(NC(=O)[C@@]3(C)CCCO3)csc2nc1=O 1506405697 LCPLBDRSCUHOMC-GFCCVEGCSA-N 294.336 0.967 0 50 CCAA Cc1nsnc1C(=O)N[C@@H]1CCCCNC1=O 1857681219 CRRNPCGHIJBOHX-SSDOTTSWSA-N 254.315 0.245 0 50 CCAA Cn1ccnc1C(=O)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857720889 PLFJNDPDBRQCDI-VWYCJHECSA-N 265.313 0.032 0 50 CCAA CN1CCC[C@]2(C(=O)O)CCN(c3ncc(F)cn3)C[C@@H]12 1704343622 LKVLEXHFUJFYOH-RISCZKNCSA-N 294.330 0.991 0 50 CCAA CNCC(=O)N1CCC2(CC1)C[C@](C)(O)CCO2 1704331072 JYKYIKYWNOYTJD-GFCCVEGCSA-N 256.346 0.128 0 50 CCAA COCC1(C)CCN(S(=O)(=O)c2cnnn2C)CC1 330134454 GWTIVBVOIYVZSR-UHFFFAOYSA-N 288.373 0.252 0 50 CCAA C[C@@H](O)CONC(=O)[C@@H]1COc2ccccc2O1 1875396357 CTAUTLUYNHIVTI-KCJUWKMLSA-N 253.254 0.255 0 50 CCAA COCCn1ncc(C(=O)N[C@H]2C[C@H](N)C23CCC3)c1C 1615554119 KFRFEEGEZBBJBE-STQMWFEESA-N 292.383 0.838 0 50 CCAA Cc1ccc(C(=O)NCc2[nH]nc3ncccc23)c(=O)n1C 1772809743 FJFOTAIKCJNRGA-UHFFFAOYSA-N 297.318 0.895 0 50 CCAA COc1cc(CNc2nn[nH]n2)cc(OC)c1OC 5019289 BMOJJQVYDJKUGX-UHFFFAOYSA-N 265.273 0.838 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 13583136 IXMVXQPOTIABOJ-UHFFFAOYSA-N 256.327 0.605 0 50 CCAA CO[C@@H]1CC[C@H](C(=O)NCCn2nc(C)cc2C)C[C@H]1N 1857726470 SPGHRWGZSYEOQD-BFHYXJOUSA-N 294.399 0.759 0 50 CCAA C[C@H]1CN(C(=O)CN(C)Cc2ccccc2)CCN1 237593920 PBXHWIZOUJZFMK-ZDUSSCGKSA-N 261.369 0.939 0 50 CCAA O=C(N1CCCC1)N1CCN(c2nccc(CO)n2)CC1 681007520 OUCHJPKGKDOQNR-UHFFFAOYSA-N 291.355 0.307 0 50 CCAA COc1ncc(C)cc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 266963371 ZXPPLWXZBKPWMN-SECBINFHSA-N 299.352 0.707 0 50 CCAA Cc1cc(C)nc(N2CCC[C@](O)(C(=O)O)C2)n1 1875272943 KKNYOFQGBLRDMX-GFCCVEGCSA-N 251.286 0.509 0 50 CCAA C[C@@H]1OCCO[C@@H]1C(=O)Nc1nc2cnccc2[nH]1 935126245 GFSBSIXKYLHWHZ-XVKPBYJWSA-N 262.269 0.700 0 50 CCAA Cc1ccnc(N2CCN([C@H](C)C(=O)N(C)C)CC2)c1 166110174 PLPATBVIUQMEEF-CYBMUJFWSA-N 276.384 0.989 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCC(CCO)CC1 400952300 XHAKPYCBWUPTNJ-UHFFFAOYSA-N 263.359 0.042 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@H]1CC(c2ccccn2)=NO1 2325762892 UTBNORNFRKTCEA-JOYOIKCWSA-N 277.280 0.411 0 50 CCAA CNC(=O)OCc1cccc(COC(=O)NC)n1 57462 YEKQSSHBERGOJK-UHFFFAOYSA-N 253.258 0.794 0 50 CCAA in-man COc1ccc(O[C@@H](C)C(=O)Nn2cnnc2)cc1 514373 VLDGTLXENXTSSO-VIFPVBQESA-N 262.269 0.824 0 50 CCAA O=C(c1nc2ncccn2n1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356145507 DNHOZAAFYCQHKQ-URLYPYJESA-N 287.323 0.642 0 50 CCAA CC(C)n1cnc(S(=O)(=O)NC[C@H](C)C(=O)O)c1 519799018 WZPWRMUKNYPUHM-QMMMGPOBSA-N 275.330 0.463 0 50 CCAA CN(C[C@@H]1CCCO1)c1nc(N)nc2c1CCNCC2 72477098 SVIXUTQDYVXAFE-JTQLQIEISA-N 277.372 0.362 0 50 CCAA C[C@@H]1O[C@H](Sc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O 65748455 YBOVKFRFMWFKCC-XENQEKTKSA-N 256.323 0.606 0 50 CCAA CN(CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O 22606475 HNVCYUAKLJREKR-UHFFFAOYSA-N 260.290 0.656 0 50 CCAA Cc1ccccc1C[C@@H](CO)NS(=O)(=O)C1COC1 330258455 MKMNAAPHCKSKCF-LBPRGKRZSA-N 285.365 0.217 0 50 CCAA O=C(O)[C@H]1C[C@@H](O)CCN1Cc1ccc2c(c1)OCCO2 65371460 DSSURHYTXFEESM-NWDGAFQWSA-N 293.319 0.868 0 50 CCAA CCSc1ncc(CN2CCOC[C@H]2CO)cn1 215231562 ACVJBORELBLJRF-LLVKDONJSA-N 269.370 0.782 0 50 CCAA CC[C@H]1CC[C@H](C(=O)NC[C@H](C)S(N)(=O)=O)CC1 331245551 LUJWSELQLAWSJA-DCAQKATOSA-N 276.402 0.996 0 50 CCAA CN(C(=O)COc1ccsc1)[C@@H]1COC[C@H]1O 329374410 LBWZUFLPDGKMGJ-NXEZZACHSA-N 257.311 0.345 0 50 CCAA COCc1cc(N2CC[C@@H](N)[C@@H](OC)C2)ncn1 71575648 DADFNDNBEOYVIO-MNOVXSKESA-N 252.318 0.175 0 50 CCAA CC(C)(O)CNC(=O)c1csc(-c2nc[nH]n2)n1 332455145 ZHDPPJGMRBDYSS-UHFFFAOYSA-N 267.314 0.429 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)CCOC[C@H]1CCCO1 262155162 RRRXOMPFJQWAPD-MNOVXSKESA-N 271.313 0.648 0 50 CCAA CNC[C@H](C)C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 237303658 QEOSQRXJRCNCMZ-FZMZJTMJSA-N 280.372 0.350 0 50 CCAA CC[C@H](NC(=O)c1n[nH]c(N)n1)c1ncccc1C 71764256 MNEROKJCHMHEBI-QMMMGPOBSA-N 260.301 0.971 0 50 CCAA CCC(C)(C)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 44330032 ZPYNOVFWLTUPPQ-SNVBAGLBSA-N 276.402 0.963 0 50 CCAA Cn1ncc(NC(=O)Cn2cc(-c3ccncn3)cn2)n1 48345577 AVILGTNZVYDENR-UHFFFAOYSA-N 284.283 0.107 0 50 CCAA C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc2c(=N)[nH]cnc2c1 613687233 YBVASRRHTMYNHQ-VIFPVBQESA-N 299.334 0.345 0 50 CCAA C[C@H](CNS(=O)(=O)C1CC1)NCc1ccc(CN)cc1 426535288 XBYNWSKXAYCDMY-LLVKDONJSA-N 297.424 0.705 0 50 CCAA CC(=O)NCCCc1nc(-c2ccc(C)nn2)no1 91551898 UTGUKTTWEXKVMW-UHFFFAOYSA-N 261.285 0.904 0 50 CCAA CCN1C[C@H](C(=O)NCc2cnc(SC)n2C)CC1=O 95369925 RXJWHPUGPSQYGX-SECBINFHSA-N 296.396 0.627 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)NCCc2nnc(N)s2)n1 244602072 DXBVOZAZQSIKIE-SECBINFHSA-N 294.384 0.854 0 50 CCAA CCc1nnc(CN(C)CC(=O)N2C[C@H](C)O[C@H](C)C2)o1 243901828 BELCITCJGXDPPM-PHIMTYICSA-N 296.371 0.700 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1N(C)C 257366219 ODURCHBCXMOCMI-YXCITZCRSA-N 276.384 0.932 0 50 CCAA O=C(Nc1ccccc1F)N[C@@H]1CNCC[C@H]1O 299781378 OMBXGHJBTDLHGF-GHMZBOCLSA-N 253.277 0.670 0 50 CCAA CN(C)CCCN(C)C(=O)CN(C)Cc1ccccn1 823693119 ZIFWCAGWRHUILP-UHFFFAOYSA-N 278.400 0.924 0 50 CCAA CCN1CCN(C(=O)c2ccccc2-n2cnnc2)CC1=O 584888991 HEFLMTWHIIIFNV-UHFFFAOYSA-N 299.334 0.572 0 50 CCAA OCCn1c(NCCn2cncn2)nc2ccccc21 584894498 ZAVDNFBPBKJNDJ-UHFFFAOYSA-N 272.312 0.732 0 50 CCAA Cc1cnc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)cn1 670461971 PYUDSAJVRXKSFL-GJZGRUSLSA-N 276.384 0.816 0 50 CCAA CN1CCC(O)(CNC(=O)CN2CCCCCC2)CC1 670440679 BXGNLNDGUTZERX-UHFFFAOYSA-N 283.416 0.435 0 50 CCAA C[C@H]1CCN(S(=O)(=O)c2n[nH]c3ncccc23)C1 1875289790 OQKCWXTUMRCBKE-QMMMGPOBSA-N 266.326 0.988 0 50 CCAA CN[C@H](CC(C)(C)C)C(=O)NS(=O)(=O)[C@H](C)COC 1875291117 NYARPRMJBXPTOF-NXEZZACHSA-N 294.417 0.492 0 50 CCAA COC(=O)C[C@@](C)(O)CNC(=O)CCc1cscn1 1875383088 GHTBFGOXASGHBU-GFCCVEGCSA-N 286.353 0.506 0 50 CCAA COC1(CNCc2nnc3c(=O)[nH]ccn23)CCCC1 886291029 VFCZXXPRZXWEFC-UHFFFAOYSA-N 277.328 0.466 0 50 CCAA CN1CCN(c2ccnc(-c3nccs3)n2)C[C@@H]1CO 894882434 XCGFDCXVCXWTGR-SNVBAGLBSA-N 291.380 0.713 0 50 CCAA CCCCCOCC(=O)N1CCN(c2n[nH]c(C)n2)CC1 585127042 OTNSNELJDKAGCX-UHFFFAOYSA-N 295.387 0.969 0 50 CCAA CC[C@@H](COC)N[C@H]1CCCN(c2nccn(C)c2=O)C1 275428728 FDXOLVAUFFGSNU-STQMWFEESA-N 294.399 0.764 0 50 CCAA CNS(=O)(=O)CCNC(=O)c1sccc1C 188974787 LCOBMPTWXOQOTF-UHFFFAOYSA-N 262.356 0.336 0 50 CCAA O[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@H]1n1ccnn1 639743242 YECRBUYEOXSBSB-HBNTYKKESA-N 272.299 0.931 0 50 CCAA CO[C@H]1CCN(S(=O)(=O)CCn2ccnc2)C[C@H]1C 641521060 FHQHRODENKCINK-NEPJUHHUSA-N 287.385 0.570 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N[C@H]1CNCC[C@H]1C 193406465 FCBCVFWLGWWMKD-XCBNKYQSSA-N 273.358 0.568 0 50 CCAA CCOCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529185566 NSNRAGHYJNWKLQ-OLZOCXBDSA-N 264.325 0.792 0 50 CCAA O=C(O)[C@H]1CCN(CCCn2cccc2)C[C@H]1O 1704305528 KTSPZIYWJMPHQZ-NWDGAFQWSA-N 252.314 0.646 0 50 CCAA CC(C)(C)OC(=O)N[C@H](CO)C[C@H]1CCNC1=O 149890651 IASISKBRBNTMFU-BDAKNGLRSA-N 258.318 0.398 0 50 CCAA CN(Cc1cn(C)nn1)C(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21 1615552929 HSODBFUJNKPRQY-MRVWCRGKSA-N 291.399 0.942 0 50 CCAA CO[C@@H]1CCNC[C@@H]1NC(=O)c1cc(C)nc(C)c1 1857705768 UWKLTBLCDSRUTN-QWHCGFSZSA-N 263.341 0.805 0 50 CCAA CN1C(=O)CCO[C@H]2CN(c3ccnc4[nH]ncc34)C[C@@H]21 1857705939 BUCKSQHPEKQHPD-RYUDHWBXSA-N 287.323 0.394 0 50 CCAA CCOC1CC(NC[C@@]2(CO)COCC3(CCC3)N2C)C1 527954925 NAXRRTRFXBYUSN-ZBCRRDGASA-N 298.427 0.759 0 50 CCAA O=C(c1cc(-c2ccoc2)[nH]n1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 646652080 XHAXSEQHASISOY-URLYPYJESA-N 273.292 0.980 0 50 CCAA CC(C)c1ncncc1C(=O)N1CCO[C@@H](C(=O)O)C1 262137236 NBKCKHCFZDEFHH-SNVBAGLBSA-N 279.296 0.526 0 50 CCAA C[S@@](=O)C1(CNC(=O)c2cnn3ccncc23)CC1 1647195566 ZNJHRHKCGABVJO-LJQANCHMSA-N 278.337 0.370 0 50 CCAA CCc1nn(C)cc1S(=O)(=O)Nc1cnc(C)cn1 903656423 OESBHHXLLHXFOL-UHFFFAOYSA-N 281.341 0.882 0 50 CCAA Cn1cc(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cn1 1204979144 NYELKWPBTUKJGW-KGYLQXTDSA-N 251.330 0.392 0 50 CCAA O=C(COC1CCNCC1)N1CCO[C@H]2CCCC[C@H]21 111796388 SGZTWRNAUWVAMP-KGLIPLIRSA-N 282.384 0.925 0 50 CCAA CCN(C(=O)N1CCOCC1)[C@H](C)CS(C)(=O)=O 112713310 DGEBJHHPMGSMBD-SNVBAGLBSA-N 278.374 0.194 0 50 CCAA O=S(=O)(C[C@@H]1CCCCO1)N1[C@H]2CCNC[C@H]1CC2 253396656 PVADIHVOXWWADH-UPJWGTAASA-N 288.413 0.712 0 50 CCAA COc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2)c1OC 151100522 DCZZYSPIQVQCHX-MNOVXSKESA-N 280.324 0.043 0 50 CCAA COCC(COC)NC(=O)N1C[C@@H](C(=O)O)C[C@@H](C)C1 263104795 BGAAYPLCPNQUHX-ZJUUUORDSA-N 288.344 0.400 0 50 CCAA COCC1(C(=O)N[C@@H](CSC)C(=O)O)CCC1 426414753 SKGRKPXYPRPYBM-QMMMGPOBSA-N 261.343 0.736 0 50 CCAA COc1ccnc(N2CCN([C@H]3CCCOC3)CC2)n1 670474315 HOESGMMYIAYSCA-LBPRGKRZSA-N 278.356 0.786 0 50 CCAA CC1(C)C[C@@H](O)CCN(C(=O)c2cc(N)n[nH]2)C1 395383736 KWUDHGFFZBEZMT-QMMMGPOBSA-N 252.318 0.615 0 50 CCAA O=C1C[C@H](N2CCOCC2)C(=O)N1c1ccc(F)cc1 62746 PJCDPIQOLBVTIJ-LBPRGKRZSA-N 278.283 0.790 0 50 CCAA CCN1CCn2c(nnc2[C@@H]2CCCN(C(C)=O)C2)C1=O 2100537955 YQRQBKYUVIFSMG-LLVKDONJSA-N 291.355 0.480 0 50 CCAA COC(C)(C)CS(=O)(=O)N1C[C@H](C)[C@@H](C(=O)O)C1 1857533388 AYBFYSUYHHBLRJ-IUCAKERBSA-N 279.358 0.394 0 50 CCAA CC1(C)[C@H](CN)C[C@H]1NC(=O)c1nccn2nccc12 2325800020 HOKDEAKDGLOPCR-GXSJLCMTSA-N 273.340 0.833 0 50 CCAA Cn1c(=O)c2[nH]c(NC3CCCC3)nc2n(C)c1=O 541517 PJFHEWDNQVWATH-UHFFFAOYSA-N 263.301 0.315 0 50 CCAA biogenic CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 1605748 HVNQCDIUFGAINF-STQMWFEESA-N 277.368 0.573 0 50 CCAA in-vivo CCC[C@@H](N)C(=O)N[C@@H](CCSC)C(=O)OC 2172695 VBKZYWWMOVNWTB-BDAKNGLRSA-N 262.375 0.525 0 50 CCAA O=C(CN1CCCCC1)NC[C@@H](O)c1cccc(O)n1 2356141437 APKNMZMEWVXORT-GFCCVEGCSA-N 279.340 0.423 0 50 CCAA CC(=O)NCCCNS(=O)(=O)c1ccc(C)cc1 2827019 QYJQGDLIOZKRPA-UHFFFAOYSA-N 270.354 0.800 0 50 CCAA O=C(Cn1cccnc1=O)NCCc1nccs1 50772875 YSDUZLNQFLLBMR-UHFFFAOYSA-N 264.310 0.059 0 50 CCAA COc1c(F)ccc(C(=O)N2CCO[C@H](CN)C2)c1F 67678357 SRILGDIPWAFAAQ-MRVPVSSYSA-N 286.278 0.773 0 50 CCAA COC(=O)c1cc(CN2CC[C@](N)(C(=O)O)C2)ccc1O 67714691 PYTHIHMXTOZLMB-CQSZACIVSA-N 294.307 0.167 0 50 CCAA C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H]1O 351850647 HHPVPIXYCTZERO-BXKDBHETSA-N 259.309 0.945 0 50 CCAA CC(C)(C)OC(=O)N1CCN(c2ccnc(NN)n2)CC1 66324418 UCMVCJNBDFDXRP-UHFFFAOYSA-N 294.359 0.819 0 50 CCAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](N(C)CC(=O)O)C2)c(C)o1 328608141 YFCVPKILWZIYGK-VXGBXAGGSA-N 296.323 0.098 0 50 CCAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H]2CN)C1 252685014 HJMNGJBSZOETBC-UTUOFQBUSA-N 275.418 0.632 0 50 CCAA Cc1cc(C(=O)N2CC(=O)N(C)C2)c2n[nH]cc2c1 329771085 GPKDPWSRTZKFIT-UHFFFAOYSA-N 258.281 0.743 0 50 CCAA CC(C)C[C@@H](C(=O)O)N1C(=O)c2nccnc2C1=O 72220570 IFDOROCVHPBJQP-ZETCQYMHSA-N 263.253 0.572 0 50 CCAA O[C@]1(CNCc2ccc3c(c2)OCCCO3)CCNC1 72479177 DDCYPXCRUHUBTO-OAHLLOKOSA-N 278.352 0.662 0 50 CCAA COc1ncc(Cl)c(N2CC[C@@H]3OCC(=O)N[C@@H]3C2)n1 366615918 IHIZGGOWLBJXJF-BDAKNGLRSA-N 298.730 0.232 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Cc1cccs1 216214445 ZCVUYURMEOKVBE-NXEZZACHSA-N 289.378 0.219 0 50 CCAA CCC[C@]1(CO)CCN(CCCN2C(=O)CNC2=O)C1 367355639 DUCVBKCRBQFWEK-AWEZNQCLSA-N 283.372 0.413 0 50 CCAA CC(=O)[C@@H]1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)C1(C)C 156123285 BCVQOSPSOZMZLU-RFQIPJPRSA-N 294.395 0.779 0 50 CCAA CO[C@@H]1CC[C@@H]2OCCN(C(=O)N3CCOCC3)[C@H]2C1 245712695 NJJILAHXDCNXJR-AGIUHOORSA-N 284.356 0.707 0 50 CCAA CN(C)S(=O)(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 372289965 TUSLKDCLEPMPPI-CYBMUJFWSA-N 295.364 0.389 0 50 CCAA C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc[nH]2)C1=O 173386555 ZFZZUCXFKWYCRN-CQSZACIVSA-N 290.323 0.351 0 50 CCAA COCCN1CCN(Cc2cnc(N(C)C)nc2)CC1 215035992 DQYUHRILHFZCGH-UHFFFAOYSA-N 279.388 0.307 0 50 CCAA O[C@]1(Cn2ccnn2)CCCN(c2ncnc3[nH]ccc23)C1 284879387 ZFLCIBFRIJKLIN-CQSZACIVSA-N 299.338 0.581 0 50 CCAA COCCCn1cnnc1CNC(=O)C1CCC1 222334446 AAPOTNQEJKCZBF-UHFFFAOYSA-N 252.318 0.731 0 50 CCAA CCCc1cc(NC[C@](C)(O)C(=O)O)n2ncnc2n1 263568959 YWRTYCXTJFOLOH-LBPRGKRZSA-N 279.300 0.324 0 50 CCAA COC(=O)C1(C(=O)OC)[C@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@@H]1[C@@H]1[C@H]5[C@@H]4[C@@H]21 239386716 QCFWGUDMZFEZIB-XFDSLHCNSA-N 274.316 0.953 0 50 CCAA COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 239165231 NSUAJMBIBIXWTK-YXMPFFBPSA-N 289.287 0.735 0 50 CCAA COc1ccsc1S(=O)(=O)N1CCN[C@@H](C)C1 237119491 RVBIHKXOIPVVQC-QMMMGPOBSA-N 276.383 0.739 0 50 CCAA COCC(C)(C)NC(=O)Cn1c(C)cc(C)nc1=O 330915303 JUQIAMFBHOPHIL-UHFFFAOYSA-N 267.329 0.401 0 50 CCAA Cc1cnn(CCNC(=O)[C@@H]2CCCN[C@@H]2C)c1 235621081 GZFRDQOVQMHNKD-VXGBXAGGSA-N 250.346 0.696 0 50 CCAA CCCc1cc(C(=O)NCc2noc(COC)n2)[nH]n1 91808400 DERNZSKOFXHKEV-UHFFFAOYSA-N 279.300 0.822 0 50 CCAA Cc1cc(C)n(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)n1 240971675 UAXDUDBAQWDESL-LLVKDONJSA-N 283.353 0.317 0 50 CCAA O=C(c1ccccc1N1CCOCC1)N1CCCNCC1 299753384 YBMXCADATBGIRE-UHFFFAOYSA-N 289.379 0.959 0 50 CCAA CC[C@H](N)C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 299752475 UFVOFQIGEOBOJB-ILXRZTDVSA-N 291.395 0.475 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCCC(=O)O 534659045 AOBOHMSQASTYHH-QWRGUYRKSA-N 272.345 0.465 0 50 CCAA CCc1c(C)nc(C)nc1N1CCO[C@@H](CN)C1 534581266 QEKLKZYNSUDINU-NSHDSACASA-N 250.346 0.820 0 50 CCAA COc1nc(C(=O)Nc2cnn3c2NCCC3)nn1C 1940196611 VMSMRWPNOMCYQP-UHFFFAOYSA-N 277.288 0.088 0 50 CCAA COCCn1cnnc1CCNC(=O)C(C)(C)C 299775912 LSWNSAUSALBLDJ-UHFFFAOYSA-N 254.334 0.629 0 50 CCAA COCCNC(=O)c1nn(CCC(C)C)c2c1CNCC2 299764512 ILCPRGDJVSUYJZ-UHFFFAOYSA-N 294.399 0.951 0 50 CCAA Cc1ncn(C)c1C(=O)NC[C@@H]1CCCN(CCO)C1 299764359 UUNDCVJPDFEKTG-LBPRGKRZSA-N 280.372 0.163 0 50 CCAA CN1CCN(CC2(CNC(=O)c3cncn3C)CC2)CC1 299778164 PMIOZHOHVIZJFI-UHFFFAOYSA-N 291.399 0.178 0 50 CCAA CN(C)[C@H]1CN(C(=O)CCCN2CCCCCC2)C[C@@H]1O 823730172 RDZRZXWLTPFKBL-GJZGRUSLSA-N 297.443 0.776 0 50 CCAA O=C(NCc1nncn1CCc1ccccc1)c1cnn[nH]1 828205404 USRNISPPKRNDNC-UHFFFAOYSA-N 297.322 0.569 0 50 CCAA Cc1cnn(CCC(=O)NCCc2csc(N)n2)c1 584896966 RLOFOORKYGXIMZ-UHFFFAOYSA-N 279.369 0.979 0 50 CCAA CN(C)C(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C2)C1 584902173 NSZWPTLBHMWSJC-QWRGUYRKSA-N 253.346 0.906 0 50 CCAA C[C@@H](NC(=O)c1cnn2ccn(C)c12)c1nnc(N)s1 584885322 FBDKNDKCFBIMJR-ZCFIWIBFSA-N 291.340 0.598 0 50 CCAA CN(CCCCN1CCOCC1)C(=O)[C@H]1CCOC1 584891667 RQCPDMHRUOGDRA-ZDUSSCGKSA-N 270.373 0.594 0 50 CCAA CCc1nc(CN2C[C@@H]3CCC[C@H](C2)C(=O)N3)n[nH]1 670469951 YSOLGRUMLURJCA-ZJUUUORDSA-N 263.345 0.468 0 50 CCAA Cc1nc(C)c(CC(=O)N2CCc3nocc3C2)c(O)n1 584891366 KKPQCXUTRSVDCZ-UHFFFAOYSA-N 288.307 0.914 0 50 CCAA CN1C[C@@H](NC(=O)c2ccc(C(=O)O)cc2)CC1=O 268908993 MDKUMMFUKIKFJN-JTQLQIEISA-N 262.265 0.345 0 50 CCAA CN(C)CCN1CCN(C[C@H]2CCCCO2)CCC1=O 670460430 ZWBTVYYAJQIYKY-CQSZACIVSA-N 283.416 0.651 0 50 CCAA C[C@@]1(C(=O)NC[C@@H](O)c2ccccc2F)CCNC1 269245575 QXWLGIBDQAHDSO-TZMCWYRMSA-N 266.316 0.975 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@@H]1CCCn2nccc21 1875266367 NWNZBIGNGVUVQF-VHSXEESVSA-N 251.286 0.597 0 50 CCAA O=[S@](Cc1ccc2cccnc2c1)C[C@@H](O)CO 1875279250 JTGDPASPHJOZEY-KPZWWZAWSA-N 265.334 0.837 0 50 CCAA C[C@H](CCC(=O)O)N(C)C(=O)[C@@H]1CCCS1(=O)=O 1875306816 PUUAQPGWTAKEKZ-BDAKNGLRSA-N 277.342 0.275 0 50 CCAA Cc1ccc2nc(CNC(=O)NCC(=O)O)[nH]c2c1 780619270 HRWQNHVKFFBOMQ-UHFFFAOYSA-N 262.269 0.755 0 50 CCAA Cn1nc(C(=O)N2C[C@H](N)C3(CCC3)C2)cc1O 1775962625 WQYPNCGJVNXLTH-VIFPVBQESA-N 250.302 0.079 0 50 CCAA Cc1c(S(=O)(=O)NC(C)(C)CCN(C)C)cnn1C 1776006337 OQOMOVUORUJVMN-UHFFFAOYSA-N 288.417 0.737 0 50 CCAA CNCCN1C(=O)CC[C@@H]2CN(C3CCOCC3)CC[C@@H]21 1565531460 BNQPKVLTDSOFHZ-HIFRSBDPSA-N 295.427 0.698 0 50 CCAA CS(=O)(=O)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1 1565515758 RAMGHFDGOMARIE-RYUDHWBXSA-N 289.328 0.911 0 50 CCAA CNC(=O)c1ccc(N2CCC[C@@H](n3cccn3)C2)nn1 301457332 XDQCKNZEWUHHOG-LLVKDONJSA-N 286.339 0.874 0 50 CCAA Cc1ccoc1C(=O)N1CCCS(=O)(=O)CC1 407953816 MSLUFEUEPZPPNR-UHFFFAOYSA-N 257.311 0.849 0 50 CCAA Cc1o[nH]c(=N)c1S(=O)(=O)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 408499270 LRSBLDQYLBXMSE-YIZRAAEISA-N 299.352 0.637 0 50 CCAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccnnc1 135786336 ORWPPTVSLTWVCL-LBPRGKRZSA-N 271.276 0.902 0 50 CCAA COC(=O)N1CC(NC(=O)c2cc(C(C)=O)c[nH]2)C1 170678534 OBMSAGWLRCIVIQ-UHFFFAOYSA-N 265.269 0.398 0 50 CCAA O=C1CN(C(=O)c2cnccn2)[C@H]2CCCC[C@H]2N1 170662528 BEJZPRMOXMWXGT-KOLCDFICSA-N 260.297 0.360 0 50 CCAA c1cc2n(n1)C[C@H](CN1CCO[C@H]([C@H]3CCCO3)C1)CN2 684195453 AITGLWHMEIHVSN-MJBXVCDLSA-N 292.383 0.805 0 50 CCAA CCO[C@H]1C[C@@](CO)(NC(=O)c2cc[nH]n2)C1(C)C 188873895 IXJCQLQJMIUGLT-GWCFXTLKSA-N 267.329 0.706 0 50 CCAA Cc1nn(C)c(C)c1NC(=O)CN1CCCC[C@H](O)C1=O 644284029 GEUVXFPATUFKIT-NSHDSACASA-N 294.355 0.349 0 50 CCAA C[C@H](N)C(=O)N(C)Cc1ccccc1N1CCOCC1 195138900 OKTRVOQOLVUZCA-LBPRGKRZSA-N 277.368 0.829 0 50 CCAA CC[C@]1(O)CCN(c2cc(OC)ncn2)C[C@@H]1O 216861100 XWUCTWKWZUSEBL-CABZTGNLSA-N 253.302 0.197 0 50 CCAA CN(C(=O)c1nc(O)nc(O)c1N)[C@H]1CC1(C)C 408374104 NXIJGXUHHXPKPQ-YFKPBYRVSA-N 252.274 0.341 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccccn2)N(C)C1 344522154 LYYWOVVKUWFGQL-RYUDHWBXSA-N 263.341 0.873 0 50 CCAA COC(=O)c1nc[nH]c(=NCCCOC(C)C)c1OC 585092850 QKMQWCVYFWSTQJ-UHFFFAOYSA-N 283.328 0.921 0 50 CCAA CS(=O)(=O)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 15073706 UDZNDZUOLPXJQV-LLVKDONJSA-N 286.328 0.476 0 50 CCAA Cc1c(CN2C[C@@H]3COC[C@H](C2)N(C)C3)cnn1C 1772704141 GHIYPVRNERAXMX-OCCSQVGLSA-N 264.373 0.491 0 50 CCAA Cn1nc(C(=O)NC[C@H](CO)Cc2ccco2)nc1Cl 1857703218 YHOKMMZRWORQKB-MRVPVSSYSA-N 298.730 0.643 0 50 CCAA COC(=O)c1coc(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)n1 1857740896 RWNUICZJSCHFHX-ADEWGFFLSA-N 296.323 0.433 0 50 CCAA CCNC(=O)CN1CCC[C@@H]1c1ccc(N(C)C)nn1 643728435 BXKFAJYFAAMSDT-GFCCVEGCSA-N 277.372 0.816 0 50 CCAA Cn1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)cn1 237756186 ZFWQALLBYXBIMC-NSHDSACASA-N 281.312 0.516 0 50 CCAA CN1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCCOC2)C1 328642519 RCBQLUJRSGJGNF-GJZGRUSLSA-N 296.411 0.982 0 50 CCAA Cc1cn(C)nc1CN1CCC[C@@H](N2CCNCC2=O)C1 903744949 ZXIPTKQSGUDIGV-CYBMUJFWSA-N 291.399 0.125 0 50 CCAA Nc1ccnc(N2CCC[C@@]3(CCc4cnc(N)nc43)C2)n1 1704308934 SZQVBRBTZSODFB-OAHLLOKOSA-N 297.366 0.915 0 50 CCAA O=C(N=c1nn[nH]n1C1CC1)c1ccnn1CC(F)F 905847187 YKEDDDJNYZDWFS-UHFFFAOYSA-N 283.242 0.144 0 50 CCAA O=S1(=O)CCC[C@@H]1CN1CCC(Cn2cncn2)CC1 828395562 MZRJBSAZLVVFHA-CYBMUJFWSA-N 298.412 0.567 0 50 CCAA N[C@H]1C[C@H](NC(=O)c2coc(CO)c2)C12CCC2 1263264288 HTHGVRRSLVJTDQ-QWRGUYRKSA-N 250.298 0.772 0 50 CCAA CN(CCc1cnn(C)c1)CC[C@H]1COCCO1 1775981816 WWIMILJVIPREDM-ZDUSSCGKSA-N 253.346 0.700 0 50 CCAA O=C(CN1CCC[C@@H]1C(=O)NC1CC1)Nc1nccs1 193966177 CPLHXRMAPDAVEH-SNVBAGLBSA-N 294.380 0.825 0 50 CCAA COc1cc(Cn2cc(S(C)(=O)=O)cn2)on1 901602004 AIFBPCNGFWPLQH-UHFFFAOYSA-N 257.271 0.332 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)CCOCC(F)(F)F 393523583 VYHBQMWEBYMZAK-HTQZYQBOSA-N 282.262 0.739 0 50 CCAA Cn1nnc2c1CCN(C(=O)Cn1nnc3ccccc31)C2 2325738354 XRBIFFIUJMAUIR-UHFFFAOYSA-N 297.322 0.145 0 50 CCAA C[C@@H]1C[C@@H](C)CN(C(=O)c2ccn(Cc3nn[nH]n3)n2)C1 2325806735 CYWJUXUPMOKILV-NXEZZACHSA-N 289.343 0.563 0 50 CCAA O=C(C[C@H]1NCCNC1=O)Nc1ccccc1Cl 538305 UCHBSVSKHYJNSL-SNVBAGLBSA-N 267.716 0.757 0 50 CCAA COc1ccc2c(c1)cc1n2CCN=C1NCCO 1895360 PUJHITBRARRZMS-UHFFFAOYSA-N 259.309 0.992 0 50 CCAA C[C@@H](NC(=O)C(=O)NCCN(C)C)c1ccccc1 2853573 ORFXAOFNICKTPT-LLVKDONJSA-N 263.341 0.542 0 50 CCAA O=C1NC[C@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]12 2356163979 ZCRBHGIEAWSCAE-WDEREUQCSA-N 288.303 0.162 0 50 CCAA C[C@H](O)CN(CC(=O)N[C@H](C)c1ccco1)[C@@H](C)CO 225405492 FDUULUGABCXUBQ-SDDRHHMPSA-N 284.356 0.520 0 50 CCAA CC(C)COc1cccc(NC(=O)NC[C@H](O)C(N)=O)c1 225837040 YOAWFJSUQIBMLG-LBPRGKRZSA-N 295.339 0.689 0 50 CCAA CCCCNc1cc(N2CC[C@H](C(N)=O)C2)nc(N)n1 281250655 UPZCRDPERZNTKT-VIFPVBQESA-N 278.360 0.582 0 50 CCAA CNC(=O)[C@@H](NS(=O)(=O)C(C)C)c1ccccc1 53668855 OEIZEBCSWJLRQG-NSHDSACASA-N 270.354 0.802 0 50 CCAA CC(C)Oc1ccccc1CNC(=O)[C@H]1C[C@H](O)CN1 151036292 PPIRPWOCNGFVSA-QWHCGFSZSA-N 278.352 0.813 0 50 CCAA CN1CCN(Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C(=O)O 67935221 RDETYCMCQFSJCI-GFCCVEGCSA-N 290.323 0.870 0 50 CCAA CC(C)n1cc(C[C@@H]2N=C(O)N(CC3CC3)C2=O)nn1 328615114 XRHJKYGXEQWIFC-NSHDSACASA-N 277.328 0.936 0 50 CCAA O=C1C=CC(=O)N1c1ccccc1N1C(=O)C=CC1=O 96913 UFFVWIGGYXLXPC-UHFFFAOYSA-N 268.228 0.545 0 50 CCAA biogenic,in-vitro Nc1c(O)nc(O)nc1C(=O)N(CC1CC1)CC1CC1 329948208 KNTFYSPUUWNYJY-UHFFFAOYSA-N 278.312 0.732 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCC2(C(=N)O)CCCC2)N(C)C1 330531165 GVNOQSDOVJILFQ-QWRGUYRKSA-N 283.372 0.917 0 50 CCAA COCc1noc(CN2C[C@H](COC)OC(C)(C)C2)n1 330519450 GYABRERZMICWET-SNVBAGLBSA-N 285.344 0.842 0 50 CCAA Cc1cc(C(=O)N2CCNC[C@@H]2C)ccc1S(N)(=O)=O 125754748 JJHMZNFASVGYNZ-JTQLQIEISA-N 297.380 0.076 0 50 CCAA O=C(N1CCCC1)[C@]1(O)CCCN(Cc2ncc[nH]2)C1 331385905 KMHZEZPVZSOCSQ-AWEZNQCLSA-N 278.356 0.359 0 50 CCAA CCN1CC[C@H](N(C)C(=O)CNCCOC)[C@@H](C)C1 236848125 CGTGPUFEEGDMNX-STQMWFEESA-N 271.405 0.411 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCO[C@H](C(C)C)C1 490733710 PBDRMEJOZQHFKT-LBPRGKRZSA-N 268.357 0.952 0 50 CCAA C[C@@H]1CC[S@@](=O)CCN1CC(=O)NC[C@H]1CCCO1 375929001 BORHFYWCTORLOG-HNYWDRBLSA-N 288.413 0.125 0 50 CCAA CCNC(=S)[C@H]1C(=O)c2ccccc2S(=O)(=O)N1C 44125753 WOWKYKCYKAFSRB-SNVBAGLBSA-N 298.389 0.809 0 50 CCAA Cc1noc([C@@H](C)NC(=O)c2ccc(C)n(C)c2=O)n1 426615562 PUVDMOWYTFKZNQ-MRVPVSSYSA-N 276.296 0.876 0 50 CCAA CN(C)CCCOC1CCN(C(=O)c2cn(C)cn2)CC1 178254874 YBVBFWGAANABNV-UHFFFAOYSA-N 294.399 0.993 0 50 CCAA NC(=O)c1cccc(C[C@@H]2CCN(C(CO)CO)C2)c1 91494100 KLMMQGWJDBUUBO-LBPRGKRZSA-N 278.352 0.003 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)CCn2cncn2)C1 92028888 PIRHXYFLIIVNOL-AWEZNQCLSA-N 296.371 0.306 0 50 CCAA CCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(C(C)C)C(=O)[C@H]13)O2 238997310 AEDVTSVCGQKNTJ-ZHPDPMBESA-N 265.309 0.740 0 50 CCAA O=C(Nc1ncc[nH]1)C1(n2cnnn2)CCCCC1 524732940 DHYJUKFYPDDAJW-UHFFFAOYSA-N 261.289 0.694 0 50 CCAA C[C@@H]1CN(C)CCN1C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 344337128 DMQNCFCYPADQGJ-GYSYKLTISA-N 297.424 0.603 0 50 CCAA CCOc1cncc(CN2CC(N3CC[C@@H](O)C3)C2)c1 621731884 DNLZLFRGBCBROZ-CQSZACIVSA-N 277.368 0.731 0 50 CCAA CN(Cc1nnc(O)o1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 622115263 OZNUZILBOZOFEB-PRJMDXOYSA-N 253.258 0.301 0 50 CCAA NC(=O)c1cncc(NCC[C@@H]2CCCOC2)n1 528071517 DUCKDRXKSVBANG-VIFPVBQESA-N 250.302 0.804 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2ccc(CN)cc2)CC1=O 299751674 RGKOUXMAGQEWIO-LERXQTSPSA-N 287.363 0.884 0 50 CCAA COCCCN1CCC[C@@H](n2cnc(C(N)=O)n2)C1 299738897 IDNSBECNMQYPID-SNVBAGLBSA-N 267.333 0.050 0 50 CCAA CC[C@@H](NS(=O)(=O)c1cc(C)nn1C)[C@H]1C[C@H](O)C1 252571773 YNOZJOKCOYLRMF-GMTAPVOTSA-N 287.385 0.556 0 50 CCAA O=C(NCC1CCNCC1)c1ccccc1-c1nn[nH]n1 534672460 OZHJRTZFRDQNIG-UHFFFAOYSA-N 286.339 0.596 0 50 CCAA COCC(=O)NC1CN(C(=O)c2cc(C(C)C)on2)C1 185297923 RIUCMYVOFIWDRO-UHFFFAOYSA-N 281.312 0.385 0 50 CCAA C[C@@H](Cc1cnccn1)N(C)C(=O)CCCn1cncn1 299796698 PZZZSVRJNAWWSP-LBPRGKRZSA-N 288.355 0.938 0 50 CCAA C[C@]1(O)CCN(C(=O)c2cncc(Cl)c2)C[C@@H]1O 96138800 QXHLRCQOZALDCS-JQWIXIFHSA-N 270.716 0.693 0 50 CCAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCNCC2 299781353 UBUOMHAGEBQFRT-UHFFFAOYSA-N 291.351 0.239 0 50 CCAA COCc1nc(CN2CCCCCC2)n(CCO)n1 828776636 CUBDETRBRHNYJM-UHFFFAOYSA-N 268.361 0.793 0 50 CCAA CC(C)N(Cc1nccn1C)C(=O)CCS(C)(=O)=O 821704717 XNLIAXALQPGYEA-UHFFFAOYSA-N 287.385 0.592 0 50 CCAA O=C(NCc1nc(O)n[nH]1)c1ccc(-c2cc[nH]n2)cc1 828161124 FMCNPLRVHAOUPZ-UHFFFAOYSA-N 284.279 0.830 0 50 CCAA CCc1nn(C)c2c(=O)n(CCc3cnn(C)c3)cnc12 584896899 GNQUAWWGPQSIDR-UHFFFAOYSA-N 286.339 0.669 0 50 CCAA CC1(C)CN(C(=O)[C@H]2CCCCn3nnnc32)CCO1 584889679 NTPJRKDTTYVWFS-JTQLQIEISA-N 279.344 0.578 0 50 CCAA CC1(C)C[C@@H](C(=O)NCCc2nc(N)cc(O)n2)CCO1 584895379 RZEJREVWCGOCQU-VIFPVBQESA-N 294.355 0.628 0 50 CCAA C[C@@](O)(CN=c1[nH]cnc(=N)[nH]1)CC1CCCCC1 1875307187 WQUJSZFEOWXDRX-ZDUSSCGKSA-N 265.361 0.839 0 50 CCAA C[C@H]1CCSCCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]1[C@H]2N 1875319161 QYIWRUAHEJPOFM-BJDJZHNGSA-N 297.424 0.289 0 50 CCAA COC[C@@H](C)[C@@H](C)C(=O)N1CCc2c(O)nc(O)nc2C1 1875307685 RHPADUBSNXUXGY-RKDXNWHRSA-N 295.339 0.691 0 50 CCAA CCNC(=O)c1ccc(C)c(NC(=O)COCC(N)=O)c1 952861419 FJWWBWXFOPIIEM-UHFFFAOYSA-N 293.323 0.185 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccccn1 1565517088 MVUYOTVNQNJTBH-ATGSNQNLSA-N 275.352 0.458 0 50 CCAA COc1ccc(C)c(NC(=O)N[C@H]2CNCC[C@@H]2O)c1 1565515541 FSBQBOZCOPENDB-STQMWFEESA-N 279.340 0.848 0 50 CCAA C[C@H](O)C(=O)N[C@@](C)(CO)Cn1cnc2ccccc21 1363690516 GWPNYUSJUFBUNT-IINYFYTJSA-N 277.324 0.284 0 50 CCAA CN(C)CC1(C(=O)N[C@@H]2CCN(C)C2=O)CCCCC1 408304460 BEAHQWNFNDAKHF-GFCCVEGCSA-N 281.400 0.845 0 50 CCAA NC(=O)[C@H]1CC[C@@H](C(=O)OCCC(F)(F)F)O1 170617328 IGYFFQRVXDCFFK-RITPCOANSA-N 255.192 0.515 0 50 CCAA CC(C)N1CCC(NC(=O)CN2CCCC2=O)CC1 171163604 UPXLXTDMOLJHIF-UHFFFAOYSA-N 267.373 0.598 0 50 CCAA Cc1noc(C)c1CCC(=O)N1CCOC[C@@H](O)C1 77407358 BEIJXMIIXKEUOC-NSHDSACASA-N 268.313 0.444 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(CCOC2CCC2)C1 643812001 FCXDCTHEXZYACZ-OAHLLOKOSA-N 284.400 0.861 0 50 CCAA O=C1CC[C@@H](NCc2nn[nH]n2)CCN1CC1CC1 1506426394 OJIRQFALWVETEI-SNVBAGLBSA-N 264.333 0.080 0 50 CCAA Cc1ocnc1C(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529159403 PTNNKTGUVPWYEU-ZYHUDNBSSA-N 288.307 0.449 0 50 CCAA C[C@]12C[C@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1800411377 IPRVKUZQRJAQRZ-ISVAXAHUSA-N 260.297 0.109 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)C[C@H]1CCOC1 408026911 JVWYIFWLIWGJAJ-SRVKXCTJSA-N 293.385 0.088 0 50 CCAA CCn1nccc1[C@@H]1OCC[C@H]1CNS(C)(=O)=O 225520760 ZOBLKEDNIBYAOH-GXSJLCMTSA-N 273.358 0.530 0 50 CCAA CCn1nc(C)c(CNC(=O)[C@H]2C[C@@H]3[C@@H](N)C[C@H]3C2)n1 1615551512 CFBKBZNVTFTRNF-WYUUTHIRSA-N 277.372 0.596 0 50 CCAA CCC1(CNC(=O)C2(S(N)(=O)=O)CCC2)CCC1 1615547406 AFRQGMXDCGVZIT-UHFFFAOYSA-N 274.386 0.894 0 50 CCAA O=C1CCc2c1cccc2C(=O)N1C[C@H](O)[C@@H](F)C1 1616107913 RFCALPATKKSKDP-AAEUAGOBSA-N 263.268 0.970 0 50 CCAA CC(C)OCCN1CCC[C@@](O)(Cn2ccnn2)C1 343887106 MFGIOEJOXBGPEU-ZDUSSCGKSA-N 268.361 0.530 0 50 CCAA Cc1nc(C)c(C(=O)N2C[C@@H]3[C@@H](C2)C3(CO)CO)s1 1772706442 COSBORQQHDONMX-NXEZZACHSA-N 282.365 0.433 0 50 CCAA COCCN1CCC[C@](O)(CN(C)C(C)C)C1=O 11817238 ZHZWXYJHJKVHHS-ZDUSSCGKSA-N 258.362 0.327 0 50 CCAA COC(=O)[C@H]1COCCN(Cc2cccc3ccnn23)C1 1857676692 WOFIPZLYZDKJFJ-GFCCVEGCSA-N 289.335 0.956 0 50 CCAA CC[C@@]12COC(=O)N1CCN(c1n[nH]c(=N)s1)C2 1857681009 VEGPLFOQQKGPSP-SNVBAGLBSA-N 269.330 0.372 0 50 CCAA CCC[C@@]1(CO)CN(Cc2nc(COC)no2)CC[C@@H]1O 1857736080 JUBMTFMTWPCYCS-FZMZJTMJSA-N 299.371 0.561 0 50 CCAA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1nnnn1C 408044165 MKYMPOJQXFIZCV-SDDRHHMPSA-N 281.360 0.226 0 50 CCAA Cn1nnc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=N)O)n1 333368684 YQELFHCKXDRWPK-XKSSXDPKSA-N 250.306 0.346 0 50 CCAA C[C@@H]1CN(C(=O)Cn2ncsc2=O)CC(C)(C)O1 901537846 QFAGZABPGGBPCL-MRVPVSSYSA-N 271.342 0.331 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)C=C(C2CC2)C2CC2)C1 818464896 CBONOEXTENLBJP-INIZCTEOSA-N 292.379 0.962 0 50 CCAA CCn1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccncc2)nn1 827464386 CULLTNRQUNOASP-YPMHNXCESA-N 287.323 0.953 0 50 CCAA O=S(=O)(c1c[nH]nc1Cl)N1CCC(O)CC1 849378068 TVYQLWNNRICQLN-UHFFFAOYSA-N 265.722 0.209 0 50 CCAA CCS(=O)(=O)NC[C@@H]1CCCO[C@H]1c1nccn1C 858008715 VMUWGHUQWRPMEL-WDEREUQCSA-N 287.385 0.827 0 50 CCAA CN(C)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1)c1cccs1 226821929 IRAOEEMJUAFJBR-GMTAPVOTSA-N 283.397 0.190 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)NCc2ccccc2)CC[C@@H]1O 1935481701 QJNDPMCQIUGCKV-NEPJUHHUSA-N 278.308 0.664 0 50 CCAA C[C@@H]1CCCN(C(=O)CCn2ccccc2=O)[C@H]1CN 156952453 BHNUNENWVKGTAZ-OLZOCXBDSA-N 277.368 0.824 0 50 CCAA CCc1nc(S(=O)(=O)NC[C@H]2CCN(CC)C2)c[nH]1 70420881 AZRBLANDFLTVAD-SNVBAGLBSA-N 286.401 0.592 0 50 CCAA COc1ncccc1CN(C)[C@@H]1CCN(S(C)(=O)=O)C1 428772478 MONDHELSXZGKRC-GFCCVEGCSA-N 299.396 0.556 0 50 CCAA CN1CC[C@H](O)[C@H](C(=O)N2CC(c3ccccn3)C2)C1 2100482895 FKNDONOJTLKCRZ-OCCSQVGLSA-N 275.352 0.320 0 50 CCAA O=C(O)C[C@H]1CN(CCn2ccnc2)CC2(CCC2)O1 2325787380 XPITVRZVRDGXES-LBPRGKRZSA-N 279.340 0.981 0 50 CCAA Cn1cnc2cccc(C(=O)N3Cc4c[nH]c(=N)nc4C3)c21 2325872354 UACWZHOEBVCQDP-UHFFFAOYSA-N 294.318 0.932 0 50 CCAA O=C(NCc1cnc2n1CCOC2)C1(O)CCCCC1 890845722 MVBULYFLNRCDRD-UHFFFAOYSA-N 279.340 0.725 0 50 CCAA O=P(O)(O)C(CNc1ccc(O)cc1)P(=O)(O)O 3101803 BJLMZQOBSUVYEH-UHFFFAOYSA-N 297.140 0.486 0 50 CCAA NS(=O)(=O)c1ccccc1NC[C@H](O)C1CC1 110443388 DMNLRYZPRFFYPW-JTQLQIEISA-N 256.327 0.517 0 50 CCAA O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc[nH]1 112056352 OOPFGANXDZGFBI-QMMMGPOBSA-N 275.230 0.908 0 50 CCAA O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cc2n(n1)CCNC2 102663040 AHKOQEPXDKXHSH-IMRBUKKESA-N 262.357 0.474 0 50 CCAA Cc1occc1C(=O)N1CCC[C@@](O)(C(N)=O)C1 311199217 JPFHMCYBEIOVKO-LBPRGKRZSA-N 252.270 0.040 0 50 CCAA CNC[C@@H](O)CN(C)C[C@@H](O)COc1ccc(C)cc1C 22205837 FSDQDNNSFMEJJO-HUUCEWRRSA-N 296.411 0.555 0 50 CCAA Cc1cc(F)ccc1CC(=O)N1CCN(C)[C@H](C(=O)O)C1 67473243 TVHXLLXQCZIKPZ-ZDUSSCGKSA-N 294.326 0.904 0 50 CCAA COC[C@H](c1ccccn1)N(C)C(=O)c1c[nH]c(=O)cn1 67842030 LHBGRJCUEQAWGK-GFCCVEGCSA-N 288.307 0.625 0 50 CCAA COc1ccc([C@H](O)C(=O)N2CCC(O)(CO)CC2)cc1 67790247 CWVPIBQIZFAKKW-ZDUSSCGKSA-N 295.335 0.074 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CCCOC[C@@H]2C)n1 823751051 VHPGIJOYQCGEOO-JTQLQIEISA-N 281.360 0.927 0 50 CCAA CN1CCO[C@@H]2CN(c3ncnc4[nH]ccc34)C[C@H]21 329926705 WKBDMFLPSBEZIG-GHMZBOCLSA-N 259.313 0.477 0 50 CCAA CCc1nsc(N2CCC[C@](O)(CN(C)C)C2)n1 521398534 MOJGJQJOKUCZKE-LBPRGKRZSA-N 270.402 0.993 0 50 CCAA O=C(O)C[C@H]1COCCN1Cc1cccc(OCCO)c1 215326706 CUZRNEHXECUYLW-ZDUSSCGKSA-N 295.335 0.733 0 50 CCAA OCCNc1cc(N2CCO[C@H](C(F)(F)F)C2)ncn1 71764387 ZMWSBBVNRZMZTA-QMMMGPOBSA-N 292.261 0.648 0 50 CCAA O=C(CC(F)(F)F)N[C@@H]1COCC[C@@H]1OCCO 218998159 QXXUNSYMBGOQPP-SFYZADRCSA-N 271.235 0.221 0 50 CCAA CCc1nc(N)sc1C(=O)N1CCC[C@](O)(CO)C1 72170297 IDIXHNWVNIDCJA-GFCCVEGCSA-N 285.369 0.247 0 50 CCAA CN(Cc1noc2c1CCCC2)C(=O)[C@H]1CNCCO1 72164685 WNHPITSYGKRTOK-CYBMUJFWSA-N 279.340 0.500 0 50 CCAA O=C(CN1Cc2ccccc2C1)N[C@@H]1CCOC[C@H]1O 219932996 CBNLCVSCIRROMH-ZIAGYGMSSA-N 276.336 0.268 0 50 CCAA Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)n[nH]1 128252160 IZTPIMSJPOTBAD-QMMMGPOBSA-N 253.258 0.034 0 50 CCAA CC(C)(C)C(=O)NCC(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 262383505 DERLKWOPOXLAFJ-SNVBAGLBSA-N 296.367 0.862 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CCn2cncn2)c2ccccc21 131987599 DCRINPNOGMTNDS-NSHDSACASA-N 286.291 0.883 0 50 CCAA Nc1nc(CCCNC(=O)CN2CCOC2=O)cs1 222711530 ZAPZFWHWTRDXRK-UHFFFAOYSA-N 284.341 0.226 0 50 CCAA COc1ccnc(C(=O)N2CCC3(CCC(=O)N3)CC2)c1 221236299 SNQPSQMVSXVKQF-UHFFFAOYSA-N 289.335 0.975 0 50 CCAA Cn1ccnc1CCNC(=O)COC[C@H]1CCCCO1 223900802 RFNTVYBTRWXYLJ-GFCCVEGCSA-N 281.356 0.665 0 50 CCAA COC[C@H](NC(=O)Cc1cc(C)no1)c1ccnn1C 223454462 HZXOETQEAUTMBR-NSHDSACASA-N 278.312 0.763 0 50 CCAA COc1cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)ncn1 178799313 ALYFBTHJJJADGJ-NSHDSACASA-N 292.339 0.313 0 50 CCAA C[C@@H](C(=O)NCCc1nccs1)N1CCN(C)CC1 338113815 FTIDXCCTHCMWDA-NSHDSACASA-N 282.413 0.438 0 50 CCAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OC)[C@H]1O 196457112 KCXVHILKGUDBTH-LWGJEFJTSA-N 296.319 0.848 0 50 CCAA Cc1noc(CSCC(=O)N2CC[C@@H](CO)C2)n1 426382992 CCSKJRRVVTXUIW-SECBINFHSA-N 271.342 0.452 0 50 CCAA COC[C@]1(O)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 97463414 XRYTUYIEAMJOKQ-UFBFGSQYSA-N 275.301 0.458 0 50 CCAA CCn1cc(S(=O)(=O)N[C@@H](C)c2nncn2C)cn1 330494244 USJPHZZMYCZOKQ-QMMMGPOBSA-N 284.345 0.071 0 50 CCAA CC(C)c1ccc(C(=O)NC[C@H](C)N)c(=O)n1C 97823662 UKYIKMITVSVLFR-VIFPVBQESA-N 251.330 0.586 0 50 CCAA CCn1cnnc1CCNc1cc([C@H]2C[C@@H](O)C2)ncn1 244734750 NLFGKNOHHTYDHU-PHIMTYICSA-N 288.355 0.981 0 50 CCAA Cn1ccnc1[C@H](O)C1CCN(CCn2cncn2)CC1 244874792 XHKFTQVAOAYZRN-CYBMUJFWSA-N 290.371 0.457 0 50 CCAA C[C@@]1(C(=O)O)CCN(C(=O)COC[C@@H]2CCCO2)C1 299746046 UYMPFQAYMWXLHV-GXFFZTMASA-N 271.313 0.505 0 50 CCAA COc1cccc(OCCNC(=O)[C@H]2C[C@@H]2C(=O)O)c1 299747952 FNUWPECBAQNAGP-RYUDHWBXSA-N 279.292 0.911 0 50 CCAA COCCN(C)CC(=O)NC[C@H]1CCN(C2CCCC2)C1 534676040 UZXHKCDDAVLVAS-CQSZACIVSA-N 297.443 0.945 0 50 CCAA NC(=O)[C@H]1CCCN1C(=O)N[C@@H]1c2ccccc2C[C@H]1O 534577196 XFOYXZWKDACAPQ-JHJVBQTASA-N 289.335 0.304 0 50 CCAA CC(C)[C@H](NC(=O)c1csc(N)n1)c1ncnn1C 299798133 QJANLWGOTVQJTR-QMMMGPOBSA-N 280.357 0.981 0 50 CCAA C[C@@H](CS(C)(=O)=O)N1CCC(CO)(CN(C)C)CC1 828690368 YAGOZFLAZFIULJ-LBPRGKRZSA-N 292.445 0.056 0 50 CCAA C[C@H](NC(=O)c1cncn1C)c1nnc(N)s1 584889544 URKVHFYKSFWUMO-YFKPBYRVSA-N 252.303 0.345 0 50 CCAA Nc1nc(C(=O)NCCCN2CCC[C@H](O)C2)cs1 584893250 HOTMYDBOOOHPPR-VIFPVBQESA-N 284.385 0.302 0 50 CCAA CC[C@H](OC)C(=O)N1Cc2nc(C)nc(O)c2C1 584895062 MIQCVBXCBSALKI-JTQLQIEISA-N 251.286 0.758 0 50 CCAA COCCN1CC[C@H](CNC(=O)c2cncn2C)C1 670444578 IXZBORZJCVWCLC-LLVKDONJSA-N 266.345 0.118 0 50 CCAA COCC1(CNC(=O)c2cncc(=O)[nH]2)CCC1 670439077 LOIVFSBQYIZJNP-UHFFFAOYSA-N 251.286 0.316 0 50 CCAA CCn1cnnc1CN(C)S(=O)(=O)c1cnn(C)c1C 670438031 IEBGZTAZMGTREM-UHFFFAOYSA-N 298.372 0.161 0 50 CCAA CSCCN1CCN(c2cncc(C(N)=O)n2)CC1 670455089 WUTOVWCLTROBOV-UHFFFAOYSA-N 281.385 0.061 0 50 CCAA O=C(N[C@@H]1Cc2cnccc2NC1=O)[C@H](F)C(F)(F)F 1548794124 JECXKPYXADUXBG-SFYZADRCSA-N 291.204 0.961 0 50 CCAA COC(=O)c1ccnc(CN(C)CC(=O)NC(C)C)c1 952991719 DIQQSYNHWULDPO-UHFFFAOYSA-N 279.340 0.825 0 50 CCAA CCOc1ccnc(N2CCC[C@@]3(C2)NC(=O)NC3=O)n1 1875275831 WTXROAVBBUSMHJ-ZDUSSCGKSA-N 291.311 0.054 0 50 CCAA C[C@H]1N(C(=O)C(=O)N2CCC[C@H](CN)C2)CCC1(C)C 1875286408 SQBKOHVACUNXRW-VXGBXAGGSA-N 281.400 0.831 0 50 CCAA Cc1cnccc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076056047 MGHGZKNYDXOVSR-KGLIPLIRSA-N 299.334 0.968 0 50 CCAA Cn1ccc(C2CCN(c3ccc(C(N)=O)nn3)CC2)n1 895644790 ZRCCHNGPIXQBLR-UHFFFAOYSA-N 286.339 0.693 0 50 CCAA C[C@H]1CC[C@@H](CC(=O)NCCN2CCNC2=O)C1 894582443 SZVQUGLDOJQNLD-WDEREUQCSA-N 253.346 0.954 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1cn[nH]c1 1565508638 YCZHFMXAOQKZFB-RYUDHWBXSA-N 288.307 0.771 0 50 CCAA COc1ccccc1OCC(=O)N[C@H]1CCOC[C@@H]1OC 1565513689 QMMIWJVRRCSDBI-FZMZJTMJSA-N 295.335 0.994 0 50 CCAA Nc1n[nH]c(C(=O)N2C[C@H]3CCN[C@H]3C2)c1Cl 1565526525 PJBGWZKCVXVHQF-RITPCOANSA-N 255.709 0.079 0 50 CCAA CC(C)S(=O)(=O)CC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 408275947 DDNYISVGOOTPMT-CMPLNLGQSA-N 289.397 0.836 0 50 CCAA CO[C@@H]1CCC[C@@H](CC(=O)N[C@H]2CC(=O)N(C)C2)C1 408311479 ZFAUIAPFYMNPQI-GRYCIOLGSA-N 268.357 0.929 0 50 CCAA C[C@H]1[C@@H](C)O[C@H](C)CN1c1ncc(S(N)(=O)=O)s1 408441840 GRCLCJNRUZRASG-GJMOJQLCSA-N 291.398 0.793 0 50 CCAA C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CCc1nn[nH]n1 631360489 NSVSDHSIZXGRNM-GHMZBOCLSA-N 278.360 0.218 0 50 CCAA CCOC1CC2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 671879060 KWXLVVYIVKJJTQ-PWQPVHBWSA-N 268.357 0.929 0 50 CCAA Cn1nccc1-c1ccc(=N[C@@H]2C=C[C@H](CO)C2)[nH]n1 585092868 RGHCJKAIJFVUMQ-WDEREUQCSA-N 271.324 0.648 0 50 CCAA NS(=O)(=O)c1cnc(N[C@@H]2CCC[C@H](O)C2)s1 585742084 PEBVEFBQLHYVGQ-RQJHMYQMSA-N 277.371 0.506 0 50 CCAA COc1ccccc1S(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 189181410 GHEOEDMBPIERJP-MNOVXSKESA-N 285.365 0.944 0 50 CCAA CN(C)[C@H](C(=O)N1CCC(O)CC1)c1cncn1C 1322551805 YTHAQJOAANYGFR-LBPRGKRZSA-N 266.345 0.006 0 50 CCAA O=C(Cc1c(F)cccc1F)N1CC[C@H](CO)[C@H](O)C1 192622643 KHUBEVNVESSPDJ-NOZJJQNGSA-N 285.290 0.709 0 50 CCAA O=C(O)CNC(=O)OCc1ccccc1[N+](=O)[O-] 197360390 UJSSZZOALJWWTD-UHFFFAOYSA-N 254.198 0.906 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)[C@H](N=c2ccc3ncc[nH]c-3n2)C1 662896805 PPSGRBYOZMCCOO-SFGNSQDASA-N 274.280 0.034 0 50 CCAA O=C(O)CN1CC[C@H](n2cnc(-c3ccccn3)n2)C1=O 663221244 ZZPDXMFWIOHOPO-JTQLQIEISA-N 287.279 0.198 0 50 CCAA CC[C@]1(C(N)=O)CCCN(c2ccc(C(=O)O)nn2)C1 1506431414 IYRHIAJTMJQTNG-ZDUSSCGKSA-N 278.312 0.657 0 50 CCAA CC1=C(C(=O)N2CCC[C@@H](C(=O)O)C2)OCCO1 1506407344 RAEOMRVCOPPZGN-SECBINFHSA-N 255.270 0.588 0 50 CCAA Cc1ncsc1CCNC(=O)[C@@H]1CNCCOC1 704021673 IJQNEIJCXWZINL-SNVBAGLBSA-N 269.370 0.346 0 50 CCAA Cc1nnccc1NC(=O)N1CC(=O)N(C)[C@H](C)C1 407969176 WHNCQYURODDWIV-MRVPVSSYSA-N 263.301 0.479 0 50 CCAA C=CS(=O)(=O)CCN1CCN(c2ccccc2)C(=O)C1 1615547818 DQEZAABTEFOYRQ-UHFFFAOYSA-N 294.376 0.894 0 50 CCAA O=C(c1ccc(Cl)o1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772818922 AXNMEKPJPFIRPZ-OCAPTIKFSA-N 271.700 0.606 0 50 CCAA O=C(Cn1nc2ccccc2n1)N1CCC[C@H]1C1(O)CC1 1775979976 QOAWKLOMHJEOFR-ZDUSSCGKSA-N 286.335 0.947 0 50 CCAA O=C(c1nc2ncccn2n1)N1CCC[C@@H]1C1(O)CC1 1772810052 IBOCYWAQSGXVTQ-SECBINFHSA-N 273.296 0.254 0 50 CCAA NS(=O)(=O)c1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 11919319 TUZLOTSADWGEEY-UHFFFAOYSA-N 293.304 0.220 0 50 CCAA OCCN1CCN(c2ncc(Br)cn2)CC1 19735131 ZZAGRUBMUDIADL-UHFFFAOYSA-N 287.161 0.353 0 50 CCAA CC(C)(C)OC(=O)N1CCN(CC(=O)O)C(=O)C1(C)C 204946667 KJVJQDDQSHYWGO-UHFFFAOYSA-N 286.328 0.929 0 50 CCAA CCOc1ncccc1C(=O)N1CC2(CNC(=O)N2C)C1 1857678593 OTDHFLBREXJRHN-UHFFFAOYSA-N 290.323 0.330 0 50 CCAA COCCN1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857713856 UVOHHSNRUDCSQP-QKPAOTATSA-N 277.364 0.702 0 50 CCAA Cc1nc(-c2cn3c(n2)CCNCC3)n([C@@H]2CCOC2)n1 1875251239 RHLMTHVEQRYWTN-LLVKDONJSA-N 288.355 0.557 0 50 CCAA Cc1c([C@H]2CCCN2c2ccc(C(N)=O)nn2)cnn1C 301884459 LNCABPFMQMBDQP-GFCCVEGCSA-N 286.339 0.959 0 50 CCAA COC(=O)[C@H](CO)NC(=O)[C@@]1(C)CCc2ccccc2C1 408514024 BQRFNPNUZUQREN-BBRMVZONSA-N 291.347 0.832 0 50 CCAA COCc1nc([C@H]2CCCCN2CCn2cncn2)n[nH]1 329830601 JVAXCFZODWVGAW-LLVKDONJSA-N 291.359 0.770 0 50 CCAA CCOCCO[C@H]1CCN(c2ncnc3nc[nH]c23)C1 130067376 OZBMSSRYZPTGET-JTQLQIEISA-N 277.328 0.985 0 50 CCAA CN(C)[C@H]1CCC[C@@H]1NC(=O)CCc1cn[nH]c1 1565513620 UVFGBJGEXSBAQQ-RYUDHWBXSA-N 250.346 0.941 0 50 CCAA CCn1ncc2ncn(CCO[C@@H]3CCOC3)c(=O)c21 917921925 CVPUFSOZFKFYTP-SNVBAGLBSA-N 278.312 0.418 0 50 CCAA Brc1cnc[nH]c1=NCCc1cnn[nH]1 1875272799 WLOXDOANDSHVIA-UHFFFAOYSA-N 269.106 0.434 0 50 CCAA Cc1oc2ncnc(O)c2c1C(=O)N1C[C@H]2[C@H](N)[C@H]2C1 1875298888 QYGHRPPXQOFUGY-MTBHXBHISA-N 274.280 0.266 0 50 CCAA CN1CCN(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)CC1 138663181 DIVXBSKNWNCRCK-NNYUYHANSA-N 281.356 0.012 0 50 CCAA NCc1cccc(C(=O)N2CCN3C(=O)CC[C@H]3C2)c1 168351871 BCGMBTCETKZRKA-ZDUSSCGKSA-N 273.336 0.592 0 50 CCAA CO[C@H](C(=O)N[C@@H](C(=O)O)c1ccnn1C)C1CCC1 663062364 XVXOYVDMECMOIE-MNOVXSKESA-N 281.312 0.477 0 50 CCAA OC[C@]1(F)CCCN(Cc2nnc3n2CCCC3)C1 367900842 GJGWJNQZYRBHIJ-ZDUSSCGKSA-N 268.336 0.911 0 50 CCAA CCOC(=O)/C=C/CN(CC)CCS(C)(=O)=O 585117102 QRCLBLDBEBZHHY-VOTSOKGWSA-N 263.359 0.472 0 50 CCAA O=C(N1C[C@H]2COC[C@@]2(C(=O)O)C1)C1(C2CC2)CC1 1574546623 DDPUQQPOZNLGKE-HZMBPMFUSA-N 265.309 0.736 0 50 CCAA C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)C1CCCCC1 2325701382 FFIRZNCPZYFBBO-KOLCDFICSA-N 266.341 0.777 0 50 CCAA CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)C12CC1C2 2325898202 WRVCZPOHUACTQH-JVVWGOMOSA-N 270.329 0.398 0 50 CCAA CCOC(=O)C(=C1NCCN1)[C@@H]1OC(=O)c2ccccc21 398520 RYTVTWDGACMKEQ-GFCCVEGCSA-N 288.303 0.866 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2579368 SSATZBUCOTXXGA-YIZRAAEISA-N 259.302 0.824 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)NCc2cn3ccsc3n2)C1 2356139145 CCCXJXUDGBCQEM-GHMZBOCLSA-N 294.380 0.325 0 50 CCAA COC(=O)[C@@H]1C(=O)N(C)[C@H](c2ccccc2)[C@H]1C(=O)OC 4363328 XNRUNYQJCBBOGJ-SDDRHHMPSA-N 291.303 0.778 0 50 CCAA CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]2)CCC3)CC1 6697171 AYEUZIKMXCVMBD-UHFFFAOYSA-N 292.339 0.537 0 50 CCAA CCNS(=O)(=O)N1CCS[C@H]2COCC[C@H]21 246552478 AZYTWEFFYXVAOR-BDAKNGLRSA-N 266.388 0.047 0 50 CCAA CNC[C@H]1CCCN1S(=O)(=O)c1cn2c(n1)CCCC2 225426711 KUXKFSZROGFNSE-LLVKDONJSA-N 298.412 0.592 0 50 CCAA C[C@@H](Cc1cnccn1)NC(=O)CCN1CCCCO1 55036766 TZYGZLDFNWAHSL-LBPRGKRZSA-N 278.356 0.941 0 50 CCAA COc1ccccc1-n1ccc2c(nnc3ncnn32)c1=O 67631183 DKYLVWFHOWEUCX-UHFFFAOYSA-N 294.274 0.832 0 50 CCAA CC(C)(C)c1cc(CN2CC[C@@](N)(C(=O)O)C2)[nH]n1 67674153 WWXCEZHNBYWSMQ-ZDUSSCGKSA-N 266.345 0.695 0 50 CCAA C[C@@H](CNC(=O)CN1C(=O)CC[C@H]1C)N1CCCCC1 27734456 QAZLCMKWZYNMJX-OLZOCXBDSA-N 281.400 0.988 0 50 CCAA Cc1ccc(CN(C)C(=O)C[C@H]2NC(=O)NC2=O)cc1 20586712 FEBWNDWLNRCBSD-LLVKDONJSA-N 275.308 0.552 0 50 CCAA COCCS(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 230079774 YJFLISUQAYZACJ-GHMZBOCLSA-N 263.359 0.606 0 50 CCAA Cc1cnc(S(=O)(=O)Cc2n[nH]c(C)n2)nc1 427157999 PONNPRAVWDBCEF-UHFFFAOYSA-N 253.287 0.185 0 50 CCAA C[C@@]1(CO)CCC[C@@H]1NC1CCS(=O)(=O)CC1 329642106 YDLHERJGVFVVEI-RYUDHWBXSA-N 261.387 0.704 0 50 CCAA CC[C@@H](OC1CCCCC1)C(=O)NCc1n[nH]c(=O)[nH]1 151893021 OCGKRFOEODXFDF-SNVBAGLBSA-N 282.344 0.842 0 50 CCAA C[C@]12CCCN1C(=O)N([C@@H]1CC(=O)N(C3CC3)C1)C2=O 328593050 INFXHCKRIQSWCV-QMTHXVAHSA-N 277.324 0.566 0 50 CCAA CN(CC1CC1)C[C@H]1CN(C(=O)c2cncnc2)CCO1 328639465 PNYAJFGZAOSVCV-AWEZNQCLSA-N 290.367 0.659 0 50 CCAA CCc1cccnc1C(=O)N1CCN2C(=O)N=C(O)[C@H]2C1 328969143 APFMJNZLVFTVMW-SNVBAGLBSA-N 288.307 0.861 0 50 CCAA Cn1nnnc1CN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 331615257 OBJYIIQLWFPGJU-BXKDBHETSA-N 295.293 0.796 0 50 CCAA CNc1nc(C(=O)NCCSc2nnnn2C)cs1 215699579 HNBRWEKVUWXHNB-UHFFFAOYSA-N 299.385 0.230 0 50 CCAA Cn1ccnc1CN[C@H]1CCCN(c2ccncn2)C1 377558581 KNPUTNMFZBWZHQ-LBPRGKRZSA-N 272.356 0.969 0 50 CCAA CC(C)(CCC(=O)O)NC(=O)CN1C(=O)NC(=O)C1(C)C 262637673 PKUPCJQKGGNXCS-UHFFFAOYSA-N 299.327 0.076 0 50 CCAA CCN(CC1CCOCC1)C(=O)[C@H]1NCCc2[nH]cnc21 72479158 IZPWIYWWJOPZJE-AWEZNQCLSA-N 292.383 0.872 0 50 CCAA CN(C)Cc1ccnc(NC(=O)[C@@H]2COCCO2)c1 176932223 CXBMEPGMZXAWCV-NSHDSACASA-N 265.313 0.497 0 50 CCAA CC(C)[C@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 230211643 CIBPXLJEAPEGHK-AAEUAGOBSA-N 294.351 0.761 0 50 CCAA COCCN1CC[C@@H](c2nc(-c3cccnn3)no2)C1 91636327 TVGHMZULDULOIR-SNVBAGLBSA-N 275.312 0.962 0 50 CCAA NCCOc1ccc(CC(=O)N2CCC[C@@H]2CO)cc1 426712753 NJCABXBYKSSXLH-CYBMUJFWSA-N 278.352 0.550 0 50 CCAA OCCn1nccc1-c1nc([C@@H]2CCOC2)no1 96133462 SWNWMLXUPLUBKE-MRVPVSSYSA-N 250.258 0.429 0 50 CCAA C[C@H]1CCCN(C(=O)CCCn2cncn2)[C@H]1CN 237687390 LNBYZBZASPUZEB-RYUDHWBXSA-N 265.361 0.644 0 50 CCAA Cc1nc(CN(C)Cc2[nH]c(=O)[nH]c2C(=O)O)cs1 97730250 RNDRWYDEFPNFLM-UHFFFAOYSA-N 282.325 0.798 0 50 CCAA Cc1nc(N[C@H](C)c2nnn[nH]2)c2c(C)noc2n1 95360193 HLSCYYUEAXDPOS-RXMQYKEDSA-N 260.261 0.921 0 50 CCAA COc1cccc(O[C@H](C)CNC(=O)[C@@H]2C[C@H](O)CN2)c1 299751191 PVFBZBOGHWEJIF-SUNKGSAMSA-N 294.351 0.302 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)[C@@H]1Cc2cccc(F)c2O1 299746832 BHFKSFVWWCGPBV-MNOVXSKESA-N 295.266 0.441 0 50 CCAA CC(C)(C)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)C1 253537036 UZTKUSANVYDBIL-VIFPVBQESA-N 294.355 0.738 0 50 CCAA Cc1cc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc(O)n1 271930224 IICADAWNXDPZEC-NSHDSACASA-N 277.324 0.835 0 50 CCAA CC(C)c1nccn1CCCNC(=O)C[C@@H]1CNCCO1 299796176 ODQGAXMMAWBKJP-CYBMUJFWSA-N 294.399 0.891 0 50 CCAA O=C(NC1CCCC1)c1cn([C@@H]2CCCNC2)nn1 299802914 YEEUIRFIHSWNQG-LLVKDONJSA-N 263.345 0.875 0 50 CCAA CC[C@]1(O)CCCN(C(=O)CCN2CCCC2=O)C1 584896492 ZCMGDDPQPUZZQT-AWEZNQCLSA-N 268.357 0.762 0 50 CCAA CCn1cnnc1[C@@H](C)NC(=O)c1csc(N)n1 584886984 KCPDQCTVVQNUIT-ZCFIWIBFSA-N 266.330 0.828 0 50 CCAA CN1CC(=O)N2CCN(CC3=CCCCC3)C[C@H]2C1=O 670435000 OZMDQXYCVVDOEK-ZDUSSCGKSA-N 277.368 0.472 0 50 CCAA Cc1cnn(CCC(=O)N(C)Cc2nncn2C)c1 584897402 WUYJJRGTQATBPT-UHFFFAOYSA-N 262.317 0.369 0 50 CCAA Cc1cccc(CN2CCN(CCn3cnnc3)CC2=O)c1 670462224 GGOBWZWVLRHOLB-UHFFFAOYSA-N 299.378 0.931 0 50 CCAA CC1=C(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)CCCO1 685941791 IOQPTXVVSFLHRD-QWHCGFSZSA-N 293.323 0.757 0 50 CCAA CN1CCN(C(=O)CCc2ccc(F)cc2)[C@H](CO)C1 699456841 GKHONLFVXLFINZ-AWEZNQCLSA-N 280.343 0.893 0 50 CCAA CCN(CC)C(=O)N1CCN([C@@H]2CCOC[C@H]2OC)CC1 952879870 ADSIKGLEIYDCPM-ZIAGYGMSSA-N 299.415 0.870 0 50 CCAA N=c1cc2n([nH]1)CCCN(c1cc(-n3ccnc3)ncn1)C2 1875286750 DJVIXBNBFJDEHC-UHFFFAOYSA-N 296.338 0.682 0 50 CCAA Cc1nc(CN(C)C(=O)[C@H](C)c2ccnn2C)n[nH]1 1875274483 BVLOUYQAXBQDRR-MRVPVSSYSA-N 262.317 0.609 0 50 CCAA CCCNC(=O)CN(CCc1nn[nH]n1)CC(C)C 1875331390 YDKYMSKBAFKJQV-UHFFFAOYSA-N 268.365 0.226 0 50 CCAA Cc1ncc(CN2CC[C@H](N3C[C@H](C(=O)O)CC3=O)C2)[nH]1 1875354169 BVZVIXLIGGNBNS-PWSUYJOCSA-N 292.339 0.226 0 50 CCAA CN(C)C(=O)NOCc1nnnn1C1CCCCC1 1875319231 UKQFXEWBBPYRPH-UHFFFAOYSA-N 268.321 0.881 0 50 CCAA CS(=O)(=O)CC1(C(=O)NC2CCCC2)COC1 1518760423 IMMZDWILUYLSDX-UHFFFAOYSA-N 261.343 0.106 0 50 CCAA O=C(COC[C@@H]1CCCO1)NCCNc1cccc(F)n1 1093710538 HYLQSSJUCLGPNV-NSHDSACASA-N 297.330 0.944 0 50 CCAA O=C(CN1CCN(c2cccc3nc[nH]c23)CC1)NC1CC1 1775985618 SCZOGNOEMNKQIQ-UHFFFAOYSA-N 299.378 0.964 0 50 CCAA O=C(NC[C@@H]1COCCO1)N1CCc2ccc(O)cc2C1 408006264 XCPJIBIBQYFYCJ-CQSZACIVSA-N 292.335 0.875 0 50 CCAA CN(CC(N)=O)C[C@H]1CN(C(=O)c2cccs2)CCO1 276675563 ZLCFBFBSGBBUDB-JTQLQIEISA-N 297.380 0.006 0 50 CCAA Cc1ncccc1C(=O)N1CCC[C@](O)(c2cnn[nH]2)C1 583618926 IBYCICSXIPMESI-CQSZACIVSA-N 287.323 0.632 0 50 CCAA COC(=O)CCNC(=O)c1ccc(CO)cc1OC 585129540 NBYJCSDEMWJBGC-UHFFFAOYSA-N 267.281 0.480 0 50 CCAA O=C(COCC1CC1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644072059 QSMKBONEQNWIIT-MCIONIFRSA-N 282.384 0.517 0 50 CCAA O=C(O)CSCC(=O)N1CCC[C@H](Cn2ccnn2)C1 567235063 YXWJKCCQJFXHOO-JTQLQIEISA-N 298.368 0.335 0 50 CCAA C[C@@H](C(=O)N[C@H](Cc1ccncc1)C(=O)O)n1cccn1 655600553 JIXBNCSCJOYPLL-CMPLNLGQSA-N 288.307 0.651 0 50 CCAA O=C1CC(C(=O)NOCc2ccc(F)cc2)=NN1 758769692 SLRXPSWTMWLDDY-UHFFFAOYSA-N 251.217 0.249 0 50 CCAA O=C(O)CCN(C(=O)c1ncccc1O)C1CCOCC1 578507450 RNCSWKFTNSJLJC-UHFFFAOYSA-N 294.307 0.883 0 50 CCAA CC(C)N1CCCN(c2nc(N)c3cnn(C)c3n2)CC1 1529197209 LLUARHGHPGWOFL-UHFFFAOYSA-N 289.387 0.866 0 50 CCAA Cc1nc(N2CC[C@]3(CNC(=O)CO3)C2)c2cccnc2n1 1800409738 KMKXMOUEYOKTSE-HNNXBMFYSA-N 299.334 0.429 0 50 CCAA Cn1cncc1C(=O)N1CCC[C@@](C)(C(=O)O)C1 236069358 PZXGWRNYWLCSEX-GFCCVEGCSA-N 251.286 0.747 0 50 CCAA CN1C[C@@H](NC(=O)NC[C@@H]2CCC(C)(C)O2)CC1=O 336090563 UNQBTPISCVWLDX-UWVGGRQHSA-N 269.345 0.474 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NS(=O)(=O)CC1CCCC1 1615699778 TUGUYWHRUAMBOO-RYUDHWBXSA-N 286.397 0.916 0 50 CCAA Cc1cc(CC(=O)N2CCC([C@H](O)CO)CC2)on1 1772706065 GPKPKWFLXKMLLM-GFCCVEGCSA-N 268.313 0.117 0 50 CCAA CCOC(=O)N1CCC(N2C[C@H]3[C@H](C2)C3(CO)CO)CC1 1772818770 KWVPWHKRYPHLRV-STQMWFEESA-N 298.383 0.140 0 50 CCAA Cn1ncnc1CCNC(=O)C1Cc2ccccc2C1 1857696252 TXSOFFAZIVZOGA-UHFFFAOYSA-N 270.336 0.889 0 50 CCAA CCO[C@]1(c2nnc3n2C[C@@H](C(=O)OC)CC3)CCOC1 601043771 BHQDARCUFWDHBI-IINYFYTJSA-N 295.339 0.666 0 50 CCAA NC(=O)[C@H]1CN(Cc2ccn(-c3ccccc3)n2)CCO1 130177631 ZTQQQHIISNFFLG-CQSZACIVSA-N 286.335 0.558 0 50 CCAA C[C@H]1CN(Cc2nc(N(C)C)no2)C[C@]2(CCOC2)O1 253397022 SRNXLPBPUWGLFI-GWCFXTLKSA-N 282.344 0.515 0 50 CCAA C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)COC[C@@H]1CCCO1 585125572 XJBRFDMMUFODNG-VOAKCMCISA-N 298.383 0.683 0 50 CCAA COCC[C@H]1CNCCN1c1nc(C)nc2c1cnn2C 900440504 QSFFTDVQPCVWQM-NSHDSACASA-N 290.371 0.486 0 50 CCAA Cn1ccc(C(=O)N2CCc3occc3[C@H]2C(=O)O)n1 910202650 IXXCWEMDNRLODJ-NSHDSACASA-N 275.264 0.837 0 50 CCAA C=CC(=O)NCCNC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C 826951728 CKHWEKDPAHLYEO-JTQLQIEISA-N 299.371 0.660 0 50 CCAA CC[C@H](CO)N(Cc1ccccc1)C(=O)[C@H](C)NC(N)=O 830325714 TWSXEROEZAXGRJ-WCQYABFASA-N 293.367 0.843 0 50 CCAA NC(=O)[C@@]1(O)CCCN(c2nccc(C(F)(F)F)n2)C1 225475815 OTCQYEZGECHOHS-SNVBAGLBSA-N 290.245 0.312 0 50 CCAA CCc1ncnc(NCCNS(=O)(=O)CC)c1F 271222221 VRUCHOGMIAEYJE-UHFFFAOYSA-N 276.337 0.529 0 50 CCAA CN1CC[C@H](NC(=O)[C@H]2CCCC[C@@]2(C)N)C1=O 262960298 KSCGVXNOSRTDSF-GBIKHYSHSA-N 253.346 0.241 0 50 CCAA O=C(CN1CCO[C@@]2(CCOC2)C1)NCc1ccco1 185185682 WMJXDYXVBSSLRY-AWEZNQCLSA-N 280.324 0.387 0 50 CCAA O=C(NCCN1CCCOC1=O)[C@H]1CCCNCC1 534582473 XSMRCSTUDGVYDQ-NSHDSACASA-N 269.345 0.335 0 50 CCAA NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)O)cc1 397369218 FAAWJRSERDHNAT-NXEZZACHSA-N 298.320 0.383 0 50 CCAA CNC(=O)[C@@H](NC(=O)c1cc(N)cn1C)C(C)C 2325801558 NDEOCBAXVHHWDF-JTQLQIEISA-N 252.318 0.108 0 50 CCAA CCOC(=O)N1CCC(N2CCC(C(N)=O)CC2)CC1 757690 NEPNERQWLFMMSJ-UHFFFAOYSA-N 283.372 0.805 0 50 CCAA O=C(O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 1926551 ZAWDHYRVWWFEOT-NSHDSACASA-N 266.272 0.601 0 50 CCAA Cc1nn[nH]c1C(=O)N=c1[nH][nH]c2cccc(N(C)C)c12 2356150247 SVNWLCLHDMGEAA-UHFFFAOYSA-N 285.311 0.730 0 50 CCAA Cc1nccn1CC(=O)N1CCN(C2CC2)C[C@@H]1C 2356163663 MRGAEKQTNFLBGY-NSHDSACASA-N 262.357 0.887 0 50 CCAA C[S@@](=O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O 4087936 QYXFLPXRIFFGJI-FVINQWEUSA-N 295.316 0.504 0 50 CCAA COc1ccc(NC(=O)CN2CCNCC2)c(OC)c1 23291851 FOSYVBWFDWBSDX-UHFFFAOYSA-N 279.340 0.548 0 50 CCAA CC(C)Oc1cc(N[C@H]2CCCCNC2=O)nc(N)n1 65503567 RZWVOSYAAJVFMJ-VIFPVBQESA-N 279.344 0.927 0 50 CCAA O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 35605677 FIDOKJCISOZSBN-MRVPVSSYSA-N 273.285 0.921 0 50 CCAA CCNS(=O)(=O)NC1CCN(Cc2ccccn2)CC1 172447528 XRZJCMNONACZQE-UHFFFAOYSA-N 298.412 0.490 0 50 CCAA Cc1n[nH]cc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 328656844 ZRVHNCJVTUEXNM-SECBINFHSA-N 276.300 0.537 0 50 CCAA Cn1c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cccc1=O 262716636 NQXPRUQARJLEFF-BDAKNGLRSA-N 264.281 0.368 0 50 CCAA COc1ccc2[nH]nc(CN3CCC[C@](O)(CO)C3)c2c1 72410008 WWGRWAXQLWIIJW-OAHLLOKOSA-N 291.351 0.891 0 50 CCAA CCOc1ccc(C(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)o1 71777059 PMXNIDBVVCMJIC-IWDIQUIJSA-N 295.335 0.882 0 50 CCAA O[C@]1(Cn2ccnn2)CCCN(c2ncc(F)cn2)C1 284844924 XATHJNADJRYZLW-GFCCVEGCSA-N 278.291 0.239 0 50 CCAA CN(C)CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 220299047 ZDVBGFANQIWFIY-VXGBXAGGSA-N 299.396 0.495 0 50 CCAA COCCn1cnnc1CCNC(=O)c1cc(Cl)c[nH]1 426535757 XWVPQBOVPBVIHW-UHFFFAOYSA-N 297.746 0.879 0 50 CCAA CCNS(=O)(=O)[C@@H]1CCN([C@@H](C)c2nnc(C)o2)C1 179451479 HMCSALQZONSMPV-WCBMZHEXSA-N 288.373 0.453 0 50 CCAA Cc1c(C(=O)NC[C@@H]2CN(C)CCO2)ccn1C 195152900 RUBXNAMSZOTNHZ-LLVKDONJSA-N 251.330 0.394 0 50 CCAA CN(C)C(=O)c1ccc(CN2CCOCS2(=O)=O)o1 91526343 XLOMCVQSCWGJPH-UHFFFAOYSA-N 288.325 0.101 0 50 CCAA COc1ccc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)c(O)c1 96165947 IBQIBLQMPLNVMN-GXTWGEPZSA-N 281.308 0.359 0 50 CCAA CCCc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)n[nH]1 91725037 ULCDEABNDLWZPW-KBPBESRZSA-N 292.383 0.955 0 50 CCAA CC(=O)c1cccc(NS(=O)(=O)N2CCOCC2)c1 91358829 RRYHPOHPJCRSDP-UHFFFAOYSA-N 284.337 0.878 0 50 CCAA CCN1CCN(CC(=O)N(C)Cc2cccnc2)CC1 344346725 NRAFTZPRSCKBJU-UHFFFAOYSA-N 276.384 0.678 0 50 CCAA O=C(Cn1nc2ccccc2n1)N1C[C@@H]2CCN[C@@H]2C1 534636299 DVBGGZTVBSARPT-GXFFZTMASA-N 271.324 0.252 0 50 CCAA CC(=O)NCCNC(=O)NCC1(Cn2cccn2)CC1 534583398 MOXISEWOWDPYEB-UHFFFAOYSA-N 279.344 0.099 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CC[C@@H](N)C[C@H]1C 534630504 KWKXUVDJVHHTJC-GHMZBOCLSA-N 286.401 0.712 0 50 CCAA CCCn1cc(S(=O)(=O)NCc2nonc2C)cn1 823032999 GVZSDYDXRJBGSI-UHFFFAOYSA-N 285.329 0.463 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)CSC 584891848 IMOHQXPKAMRFJX-MRVPVSSYSA-N 258.347 0.465 0 50 CCAA CCc1nnc(CN(C)C(=O)CCCN2CCOCC2)o1 584902106 AEDUJLCDTHUKMX-UHFFFAOYSA-N 296.371 0.703 0 50 CCAA CC(C)c1noc(CNC(=O)C(C)(C)N2CCOCC2)n1 670443517 ZFORCYFCNNFBFM-UHFFFAOYSA-N 296.371 0.920 0 50 CCAA COc1cccc(C(=O)N[C@@H]2CNC[C@H]2OC)c1F 1548448281 YMNWPNOADZVNMQ-MWLCHTKSSA-N 268.288 0.551 0 50 CCAA O=C1CC[C@H](C(=O)NO[C@H]2CCOC2)n2cccc21 1875261351 UJQZIDMKTZYNDC-GXSJLCMTSA-N 264.281 0.842 0 50 CCAA CN(CC1CC1)C(=O)c1ccc2c(n1)NCC(=O)N2 1875321309 CROXUSROOORCHN-UHFFFAOYSA-N 260.297 0.928 0 50 CCAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3CCCO3)[C@@H]2C1 1875305783 ICARCPWYMDPCKU-QGKZMRNZSA-N 253.298 0.781 0 50 CCAA Cc1cc(N2CCN([C@]3(C(=O)O)CCOC3)CC2)ncn1 886095287 QVOKQULLZKDSLZ-CQSZACIVSA-N 292.339 0.151 0 50 CCAA CO[C@@H]1CN[C@H](C(=O)NCc2cn3cc(C)ccc3n2)C1 886052251 HNSMWAJFLNFISE-STQMWFEESA-N 288.351 0.636 0 50 CCAA CC1([C@H]2CN(S(=O)(=O)c3ccc(N)cc3)CCO2)N=N1 1775997472 KMHFNULGCKFWSV-LLVKDONJSA-N 296.352 0.840 0 50 CCAA Cc1csc2c(=O)n([C@H]3CNC[C@@H]3O)cnc12 1565515792 VHECWPXRIBUGQG-YUMQZZPRSA-N 251.311 0.272 0 50 CCAA C[C@H]1CCCN[C@@H]1CNC(=O)CCCn1cncn1 408525447 CRWMDZRAVICYSB-NWDGAFQWSA-N 265.361 0.563 0 50 CCAA C[C@@H](N)C(=O)N1CCN(c2cc(F)ccc2F)CC1 168933363 XBJKQPQRQLXICZ-SECBINFHSA-N 269.295 0.961 0 50 CCAA CN1CC[C@H](C(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 633984402 LYIYHUYMNBFBMC-DTWKUNHWSA-N 291.277 0.449 0 50 CCAA COC(=O)c1occc1NS(=O)(=O)c1cn(C)c(C)n1 585118878 GOBGAKLTWGGOSH-UHFFFAOYSA-N 299.308 0.909 0 50 CCAA Cn1ccc(C(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)n1 585125769 FHJIOJNYFJNAPF-CHWSQXEVSA-N 293.367 0.860 0 50 CCAA Cn1ncc(Br)c1CN1C(=O)C=CC1=O 693500453 HEZIUMKOWXZEEN-UHFFFAOYSA-N 270.086 0.608 0 50 CCAA CCn1nc(C)c(NC(=O)N2CCNC(=O)C2)c1C 408090359 MGHVFFRVSYNSAW-UHFFFAOYSA-N 265.317 0.484 0 50 CCAA Cc1cc(NC(=O)[C@H](N)C(C)C)cc(S(N)(=O)=O)c1 1615055904 SBTGKWHPUCEOPD-LLVKDONJSA-N 285.369 0.564 0 50 CCAA CN(C)[C@@H]1CCC[C@H]1NC(=O)c1cncc(C(N)=O)c1 1615558086 FSMRDWXORLWMDB-VXGBXAGGSA-N 276.340 0.393 0 50 CCAA C[C@H](O)[C@H](O)CN1C(=O)C[C@](C)(c2ccccc2)C1=O 1616033656 RZGMDEAGCUFMSS-JVLSTEMRSA-N 277.320 0.445 0 50 CCAA COCC[C@@H]1COCCN1C(=O)CCn1cc(C)cn1 360942968 IENRMVVCAWQSAG-CYBMUJFWSA-N 281.356 0.846 0 50 CCAA O=C(c1cn2ccsc2n1)N1CCC([C@@H](O)CO)CC1 1772702378 GEQREAXMHFXZJZ-NSHDSACASA-N 295.364 0.601 0 50 CCAA CCc1c(C)nc(N)nc1N1CCO[C@@H](C(=O)O)C1 1772706495 SGGPJLIMQOTPER-SECBINFHSA-N 266.301 0.219 0 50 CCAA OC[C@@]1(O)CCCN(c2ncnc3cc[nH]c23)CC1 1772812644 NHHWLQWKCXFJBJ-CYBMUJFWSA-N 262.313 0.672 0 50 CCAA C[C@H]1CN2C[C@H](NC(=O)c3cncc(F)c3)C[C@H]2CO1 1857683020 PHJYXWFKKRTOCI-BIMULSAOSA-N 279.315 0.812 0 50 CCAA O=C(Cc1cccnc1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857711085 GPIRTVUPTFLXGZ-HZSPNIEDSA-N 276.336 0.622 0 50 CCAA CCn1nc(C)c(CN2CCC[C@@]2(COC)C(N)=O)n1 818188994 TXSWNRBMLZNNKC-CYBMUJFWSA-N 281.360 0.073 0 50 CCAA C[C@@H]1OCC[C@H]1C(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 328628654 HKVNTEBWTNICNU-NWANDNLSSA-N 296.411 0.981 0 50 CCAA O=C(c1ccoc1Cl)N1CC[C@](O)(Cn2ccnn2)C1 671499796 NKLAKWMWGZMQSY-GFCCVEGCSA-N 296.714 0.802 0 50 CCAA CC(C)n1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)cn1 1704313099 FHGFZSOATYTIHO-JSGCOSHPSA-N 292.383 0.867 0 50 CCAA Cc1ncc(CN2CCN(CC(F)(F)CO)CC2)o1 930881574 BVSYHONDNDNIGT-UHFFFAOYSA-N 275.299 0.728 0 50 CCAA C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1nnc2ccccn12 252445735 DXEMGPZXQYZKFR-DJLDLDEBSA-N 274.280 0.627 0 50 CCAA Cc1ccc(CC(=O)N[C@@H]2CCO[C@@H]2C(=O)O)cc1 659171844 VNJQRZMKGXGFHK-YPMHNXCESA-N 263.293 0.896 0 50 CCAA O=C(O)C[C@H]1CCCN(C(=O)Cn2cccn2)CC1 299743571 LKNSXQFSBVSAGP-NSHDSACASA-N 265.313 0.987 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)c2n[nH]c3c2CCCC3)C1 408513541 VZGUTUDUNLKAEA-MRVPVSSYSA-N 263.297 0.835 0 50 CCAA O=C(c1ccc(C2CC2)o1)N1CCN(c2nn[nH]n2)CC1 2325781180 UKBBULIDHOPLIW-UHFFFAOYSA-N 288.311 0.633 0 50 CCAA O=C(O)[C@@H]1C=CCN(S(=O)(=O)c2ccoc2)C1 2325787210 JWFUSQOKYBADMO-MRVPVSSYSA-N 257.267 0.541 0 50 CCAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ncc[nH]2)CC[C@@H]1O 2356144224 NPSORRHBBNVDFQ-TVQRCGJNSA-N 281.312 0.488 0 50 CCAA COc1cc(CNCCO)c(Cl)cc1OCC(N)=O 6703528 YBBDSBZVKNVPQZ-UHFFFAOYSA-N 288.731 0.295 0 50 CCAA C[C@@H]1CCCCN1Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 8469583 SPDOOKVSZUQHGN-SECBINFHSA-N 291.355 0.335 0 50 CCAA CCN1CCN(Cc2cc(C(=O)NCCOC)no2)CC1 67587808 SKOWRZVETBVBNV-UHFFFAOYSA-N 296.371 0.188 0 50 CCAA COCCN1CC[C@H](C(=O)NCc2ccccn2)C1 65370783 QYTKOTSFOQYSMC-LBPRGKRZSA-N 263.341 0.666 0 50 CCAA CCNC(=O)NCC[C@@H]1CN(Cc2ccccn2)CCO1 67648905 RTNAGMNUWSOEHO-CQSZACIVSA-N 292.383 0.992 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(Cc2nc(-c3cccnc3)no2)C1 65395814 NINQTZVLLMRTSM-SECBINFHSA-N 288.263 0.565 0 50 CCAA COc1cc(N2CCC3(CC2)CNC(=O)C3)ncn1 65387315 NQBWIJWYQJMRJR-UHFFFAOYSA-N 262.313 0.592 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N1CCC2(CCN(C)C2)CC1 67447251 UZZBASJFISWDJU-UHFFFAOYSA-N 292.383 0.911 0 50 CCAA O=C(C[C@@H]1COCCN1)NCc1cn2ccsc2n1 72157751 VDHZPZPYDGUUSF-SECBINFHSA-N 280.353 0.391 0 50 CCAA CCn1nc(CO)c2c1CCN(Cc1ncc[nH]1)C2 216357920 UJGZTGKAHYRNDB-UHFFFAOYSA-N 261.329 0.677 0 50 CCAA Cc1cc(S(=O)(=O)N2CC(S(C)(=O)=O)C2)c(C)o1 331561454 QQLSCOPECOQPAV-UHFFFAOYSA-N 293.366 0.314 0 50 CCAA CC(C)c1noc(CCCNC(=O)[C@H]2C[C@H]2C(=O)O)n1 362485997 HXIKFTLRYDTFQY-DTWKUNHWSA-N 281.312 0.963 0 50 CCAA NC(=O)[C@H]1CCCN1Cc1cnc(N2CCCCC2)nc1 215002333 LMAWYKZQKMDQNW-CYBMUJFWSA-N 289.383 0.917 0 50 CCAA O=C(c1scc2c1OCCO2)N1CC[C@H]2CNC[C@H]21 77288068 OYKVIFBMCUJRFG-DTWKUNHWSA-N 280.349 0.953 0 50 CCAA COc1cc(C(=O)N2CCO[C@@H](CCN(C)C)C2)ccn1 71614722 JYXPAIPNRPPWLQ-ZDUSSCGKSA-N 293.367 0.883 0 50 CCAA Cc1nc(C)c(S(=O)(=O)N(C)[C@@H](C)C(=O)O)s1 261686529 MHHPRPXRIREMRH-LURJTMIESA-N 278.355 0.854 0 50 CCAA C[C@@]1(C(=O)N2CCC[C@@H](CC(N)=O)C2)CCNC1 237483790 IVOHTUDAOQEKLP-GXFFZTMASA-N 253.346 0.100 0 50 CCAA Cc1ccc(O[C@@H]2CCN(C(=O)CN(C)C)C2)cn1 373126555 WIJSEDGUQSYGPD-CYBMUJFWSA-N 263.341 0.931 0 50 CCAA O=C(NCCN1C[C@@H]2CC[C@H](C1)O2)c1cc2n(n1)CCC2 333967099 RPZMNFZTISOWAN-BETUJISGSA-N 290.367 0.422 0 50 CCAA CC(C)[C@H](C(=O)NCCC(=O)O)N1CCCC1=O 262280088 WLDWCIFKGQSZPL-LLVKDONJSA-N 256.302 0.224 0 50 CCAA O[C@@]1(CNCCCn2nnc3ccccc32)CCNC1 77340162 JKPLKKFRASBNDZ-CQSZACIVSA-N 275.356 0.135 0 50 CCAA CNCC(=O)N1CCCC[C@@H]1CCN1CCCC1=O 71730326 ZGDWRIDTNSZAJP-GFCCVEGCSA-N 267.373 0.599 0 50 CCAA CN(Cc1[nH]c(=O)[nH]c1C(=O)O)C[C@@H]1CCCCO1 215605737 FWKXOVVWQVBGJT-QMMMGPOBSA-N 269.301 0.402 0 50 CCAA COC[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)CC(C)(C)O1 284918987 CLQAWOIBTWAGMB-GFCCVEGCSA-N 294.351 0.651 0 50 CCAA Cn1c(NC(=O)[C@@H]2CCC(=O)N2)nc2cc(F)ccc21 174597820 CKSNVWMYJRVQEQ-QMMMGPOBSA-N 276.271 0.930 0 50 CCAA C[C@@H]1OCC[C@]12CN(C(=O)Cc1cncn1C)CCO2 527478759 DXHNRHDUMUQJTB-FZMZJTMJSA-N 279.340 0.369 0 50 CCAA CC[C@H](C(=O)N[C@H](C)c1nc[nH]n1)N1CCCC1=O 176748567 XCZJUYNIHWOOSD-RKDXNWHRSA-N 265.317 0.383 0 50 CCAA CC(=O)N[C@H](C(=O)N1C[C@H](C)O[C@H](C)C1)C(C)C 227492559 LWKZTOMARNTHMM-UMNHJUIQSA-N 256.346 0.783 0 50 CCAA Cc1nnc(CN(C)c2cc([C@@H]3CCOC3)nc(N)n2)o1 426427986 LTJQLPFBVVZJFY-SECBINFHSA-N 290.327 0.891 0 50 CCAA CC(C)(C(=O)NCCc1cnn[nH]1)N1CCCC1 426722703 ULHFMDHXCSROIR-UHFFFAOYSA-N 251.334 0.338 0 50 CCAA CC(=O)NC[C@@H]1CN(Cc2ccc3cn[nH]c3c2)CCO1 179709904 FNPKRRBLBUNNFQ-CQSZACIVSA-N 288.351 0.900 0 50 CCAA CN(Cc1nc(=O)o[nH]1)C(=O)COc1ccc(F)c(F)c1 823398921 QUJLOIMJXBLHIN-UHFFFAOYSA-N 299.233 0.679 0 50 CCAA C[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@@]1(O)C1CC1 91270057 OGIJSHAEMBRJTO-OQPBUACISA-N 259.313 0.950 0 50 CCAA CCc1ncc(C(=O)NCCS(=O)(=O)CC(C)C)cn1 95368496 JHJFXTAVUCFPNM-UHFFFAOYSA-N 299.396 0.840 0 50 CCAA Nc1nc(N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cc2nncn12 91664106 TVKGAROZESAFJL-DTWKUNHWSA-N 288.311 0.254 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C2CCNCC2)CC1=O 299752518 UKCMDINYZOIUCS-USWWRNFRSA-N 265.357 0.112 0 50 CCAA CCc1nccn1CCC(=O)NCCc1nccn1C 534660541 UOBBLJRJIQSRMV-UHFFFAOYSA-N 275.356 0.928 0 50 CCAA Cn1nccc1C(=O)NC[C@H](O)Cc1ccccc1 264245584 POPOCUFAVMJVQK-GFCCVEGCSA-N 259.309 0.754 0 50 CCAA C[C@H]1CCCCN1C1CN(C(=O)NCCn2cncn2)C1 584894537 CYXIGHHPIBCAPW-LBPRGKRZSA-N 292.387 0.546 0 50 CCAA Cn1ncc(I)c1CNCCCO 585136387 DKQCJAJRHAOHSJ-UHFFFAOYSA-N 295.124 0.497 0 50 CCAA Cc1nc(SCCn2cnc3cn(C)nc3c2=O)n[nH]1 584895449 OYIUSMPYDPSDPE-UHFFFAOYSA-N 291.340 0.349 0 50 CCAA CN1CC[C@@](C)(CN(C)c2cncc(C(N)=O)n2)C1 670439364 PCJCTOLRZRDUAH-CYBMUJFWSA-N 263.345 0.354 0 50 CCAA CCN1CN(C(=O)[C@@H]2CCCO[C@H]2c2cc[nH]n2)CC1=O 886029066 JEROYNKPLQNZMC-ZWNOBZJWSA-N 292.339 0.526 0 50 CCAA O[C@H]1C[C@@H](N=c2cc[nH]c(-c3nccs3)n2)CC[C@H]1O 896968694 DVILMYYEWAMXPS-AEJSXWLSSA-N 292.364 0.708 0 50 CCAA CN1C[C@H](C(=O)N2CCCc3ccccc3C2)NC1=O 668402437 OVTHAKLCLSZUTJ-CYBMUJFWSA-N 273.336 0.985 0 50 CCAA COc1ncccc1NC(=O)N[C@]1(CO)CCOC1 273455699 DIUVINFFERVEMK-LBPRGKRZSA-N 267.285 0.363 0 50 CCAA C[C@H](O)C[C@@H]1COCCN1C(=O)c1ccc2[nH]nnc2c1 274430174 QAZVZFOZVXAQKS-GXSJLCMTSA-N 290.323 0.570 0 50 CCAA Cn1cc(N2CC[C@H](N3CC[C@@H](O)C(C)(C)C3)C2=O)cn1 275401665 DUZWNYKMDZCYSG-QWHCGFSZSA-N 292.383 0.618 0 50 CCAA O=C(CCc1ccoc1)N1CCC[C@](O)(c2cnn[nH]2)C1 583617715 IFLMGZSYVIIXGF-CQSZACIVSA-N 290.323 0.841 0 50 CCAA Cc1nnc(CCC(=O)N2CCNC(=O)[C@H]2C(C)C)o1 635490708 TVBVDRDOERZYDX-GFCCVEGCSA-N 280.328 0.294 0 50 CCAA O=C([C@@H](O)c1cccnc1)N1CCc2n[nH]cc2C1 732277505 NVSMYNNXXVBKDJ-LBPRGKRZSA-N 258.281 0.423 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N1CCn2nncc2C1 655630658 NWUKVABOYDAGTP-UHFFFAOYSA-N 283.313 0.087 0 50 CCAA NC(=O)c1coc(CNC(=O)[C@@H](C(=O)O)C2CCCC2)n1 663126901 XVPRYGOQDMANKL-JTQLQIEISA-N 295.295 0.281 0 50 CCAA CCS(=O)(=O)c1ccc(CC(=O)N2CC(O)C2)cc1 156540531 AVCAIVDUYBWCLK-UHFFFAOYSA-N 283.349 0.226 0 50 CCAA O=C(CSc1ccccn1)N1C[C@@H](O)[C@H](F)C1 1857684423 NIRMXTNTKNCJJZ-RKDXNWHRSA-N 256.302 0.715 0 50 CCAA CN1C(=O)NCC12CN(c1nccc(C(F)(F)F)n1)C2 1857712415 YRGSOTFBXWXSTM-UHFFFAOYSA-N 287.245 0.709 0 50 CCAA Cn1c(N2C[C@@H](O)[C@H](O)C2)nc2cccc(F)c21 407958824 QEVBTFIDEWVZCS-NXEZZACHSA-N 251.261 0.254 0 50 CCAA O=C(Cc1cscn1)N[C@@H]1CNCCC1(F)F 1615555410 AUYQUNMMCCJMNU-MRVPVSSYSA-N 261.297 0.799 0 50 CCAA Cc1cc(C(=O)N[C@@H](C)c2nnnn2C)nn1C(C)C 1615554943 ZNHLQRPSGSGDOG-VIFPVBQESA-N 277.332 0.787 0 50 CCAA Cn1nc(N)cc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1615553867 IQOWVHAAVRUHCN-ZWNOBZJWSA-N 271.324 0.357 0 50 CCAA CN1CCN(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)CC1 138663060 DIVXBSKNWNCRCK-FIQHERPVSA-N 281.356 0.012 0 50 CCAA N[C@H]1CN(C(=O)OCc2ccccc2)CCNC1=O 12647686 SDCSGJAVJCCSOZ-NSHDSACASA-N 263.297 0.082 0 50 CCAA CCNS(=O)(=O)c1cc(C(=O)NC2CC2)ccc1OC 12651028 OHFSDLPEOJCDIS-UHFFFAOYSA-N 298.364 0.886 0 50 CCAA COc1ccc(OC)c(/C=c2\sc3ncnn3c2=O)c1 16267185 ICIUFIALYVSQMQ-WDZFZDKYSA-N 289.316 0.716 0 50 CCAA Cc1ncccc1CN1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857696211 RFZFBXWFYWUFPV-GOEBONIOSA-N 289.379 0.853 0 50 CCAA NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F 2379660 DDGOQDDPEWYVRD-UHFFFAOYSA-N 253.638 0.825 0 50 CCAA in-vitro O=C(NC1CC1)[C@@H]1CCCN1c1ncnc2nc[nH]c12 134896357 REIIAZDEJXARDG-VIFPVBQESA-N 272.312 0.600 0 50 CCAA CN[C@H](CC(C)(C)C)C(=O)NCCN1CCNC1=O 1649986393 RMGZVCJORHXTND-SNVBAGLBSA-N 270.377 0.152 0 50 CCAA COc1ccc(F)c(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)c1 1704327336 BQPJDHWKYONXGC-NEPJUHHUSA-N 294.326 0.781 0 50 CCAA Cc1cncnc1-c1noc([C@H]2CNC[C@@H](C)O2)n1 854140698 OWXBIZYHQLFARD-RKDXNWHRSA-N 261.285 0.884 0 50 CCAA OCc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)ccn1 858389918 PTAUEQDBWHDDJZ-LSDHHAIUSA-N 277.368 0.609 0 50 CCAA CCN1CCN(CCOc2ccccc2F)C(=O)C1=O 33359709 VPHYNQDGHGGDBG-UHFFFAOYSA-N 280.299 0.895 0 50 CCAA Cn1ccnc1CN1CCN(C[C@@H]2CCOC2)CC1 171644804 ICZNLQQGQXYUJO-ZDUSSCGKSA-N 264.373 0.574 0 50 CCAA CN1C[C@H](NC(=O)Cc2ccc(O)cc2)CCC1=O 82284447 UUGRHZRWMZBULO-LLVKDONJSA-N 262.309 0.672 0 50 CCAA Cc1ccc(OCC(=O)N[C@H]2CCOC[C@@H]2O)cc1C 629218398 MOJYCOOIJVJAIK-KBPBESRZSA-N 279.336 0.948 0 50 CCAA C[C@H](C(=O)NCc1ccc(CC(=O)O)cc1)S(C)(=O)=O 630234801 PBHRJLFVYSRLFG-SECBINFHSA-N 299.348 0.363 0 50 CCAA COC1(CC(=O)N2CC[C@@](OC)(C(=O)O)C2)CCC1 630254253 OXLDDLJMXHXORH-ZDUSSCGKSA-N 271.313 0.648 0 50 CCAA CCn1cnnc1CN(C)CC(=O)N1CCCC1 670455797 IODPSWDLQJUHNB-UHFFFAOYSA-N 251.334 0.352 0 50 CCAA COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(N)=O 182776 LJTFBHZNUZTCTC-LLVKDONJSA-N 261.281 0.808 0 50 CCAA Cc1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1C 542435 ZAENETAFAOJBJZ-LBPRGKRZSA-N 261.325 0.720 0 50 CCAA COC[C@H]1[C@@H](NC(=O)CCCc2cn[nH]c2)[C@H]2CCO[C@H]21 1074600644 BOQSFSPPNJXSIH-PAPYEOQZSA-N 293.367 0.899 0 50 CCAA O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 1926484 LNUINKOTEGBAPP-LLVKDONJSA-N 266.272 0.601 0 50 CCAA Cc1cccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 4918413 JMVGNWBNXMIFLT-GFCCVEGCSA-N 297.376 0.986 0 50 CCAA Cc1cccc(C)c1OCC(=O)N[C@@H]1CNC(=O)C1 330718940 ASCLJQUCVAUBPF-NSHDSACASA-N 262.309 0.687 0 50 CCAA CCN1C[C@H](NC(=O)c2ccccc2-c2nc[nH]n2)CC1=O 67787334 ILFXNCYKPZUXQE-SNVBAGLBSA-N 299.334 0.822 0 50 CCAA Cc1nn(CC(=O)NCCc2cnc[nH]2)c(C)c1C 216514144 LZWISIFTKVMNJY-UHFFFAOYSA-N 261.329 0.890 0 50 CCAA CN[C@H]1CCCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 151009612 CVURHBKUFSRHNI-NSHDSACASA-N 289.335 0.842 0 50 CCAA O=C(NC[C@@H](O)c1ccccc1Cl)[C@H]1COCCN1 151444914 OAKUXPJCVGWYBP-VXGBXAGGSA-N 284.743 0.478 0 50 CCAA Cn1ccnc1[C@@H](NC(=O)c1ccn2nnnc2c1)C1CC1 71681248 USNDAGYMRXXBTF-LBPRGKRZSA-N 297.322 0.739 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cn[nH]c1 215433708 DUJFLWNJGCJVGC-RYUDHWBXSA-N 264.329 0.393 0 50 CCAA COCCN(CC(=O)O)C(=O)CCc1cccnc1 49606748 SELREOQIAUVKNF-UHFFFAOYSA-N 266.297 0.574 0 50 CCAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)C(C)(CO)CO 130498879 XCKZDDYLNOHTCO-GHMZBOCLSA-N 259.346 0.155 0 50 CCAA COC[C@@H]1CN(C(=O)c2cn(C)cn2)CC(C)(C)O1 285682805 ZYTRLECTWDCICI-JTQLQIEISA-N 267.329 0.686 0 50 CCAA C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O 136004518 CYRRXYLLNDVBCL-IUCAKERBSA-N 286.328 0.975 0 50 CCAA NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCOC2)cc1 48628137 SPJYVKNLKSUISM-NSHDSACASA-N 298.364 0.029 0 50 CCAA CC1(C)SC[C@@H](C(=O)NCCCn2ccnc2)NC1=O 97713692 LAJRBBQYUAWKAV-JTQLQIEISA-N 296.396 0.400 0 50 CCAA C[C@H](C(=O)O)N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 239432778 WKFBUPBTMUZFDS-LPBLVHEISA-N 257.673 0.977 0 50 CCAA Cc1nnnn1CCCN1C[C@@H](C(=O)O)[C@H](C(C)C)C1 91411609 WMNBHQHKLQVNBS-NWDGAFQWSA-N 281.360 0.660 0 50 CCAA Cn1ccc(NC(=O)CN(CCO)C2CCCCC2)n1 244734397 NETXXWXEBHLFJV-UHFFFAOYSA-N 280.372 0.986 0 50 CCAA CNc1ncccc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1 252507757 WTNLROAZZAFBNH-STQMWFEESA-N 290.367 0.716 0 50 CCAA CC(C)[C@H](C(=O)NCCC(=O)O)N1C[C@H](C)O[C@H](C)C1 299748607 HQZMNIJYSIZXDC-NTZNESFSSA-N 286.372 0.711 0 50 CCAA C[C@H](OCCCNC(=O)[C@@H]1C[C@@H](O)CN1)c1ccccc1 299747489 DDXOPMJUZDQRIW-CFVMTHIKSA-N 292.379 0.993 0 50 CCAA O=C(C[C@H]1CC1(F)F)NCCN1CCC(CO)CC1 534658876 IVKUGQVKXSFUBX-NSHDSACASA-N 276.327 0.852 0 50 CCAA Cc1c(O)cccc1C(=O)NC[C@@H]1CCNC[C@H]1O 534589100 YSHUDILCWGTNNF-GXFFZTMASA-N 264.325 0.401 0 50 CCAA CC(C)O[C@H]1CN(Cc2cccc(C(=O)O)n2)C[C@@H]1O 534652297 GWJDBFJKLPYEJR-STQMWFEESA-N 280.324 0.750 0 50 CCAA Cn1cc(NC(=O)CN2C[C@@H]3CC[C@H](C2)[C@@H]3N)cn1 534662004 RJLVMFQJBXYLMR-IWIIMEHWSA-N 263.345 0.028 0 50 CCAA O=C(NCc1ccsc1)[C@@H]1NCCc2nc[nH]c21 534666127 BIDUTIBKDAJYTB-LLVKDONJSA-N 262.338 0.974 0 50 CCAA O=C(NCCCc1ccccc1F)[C@@H]1C[C@@H](O)CN1 828901687 SJGAAVYEPCMBRX-YPMHNXCESA-N 266.316 0.597 0 50 CCAA Nc1nnc(CCNC(=O)N2CCCC[C@H]2CCO)s1 584896476 KFLBCZPHRHVCKD-VIFPVBQESA-N 299.400 0.609 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC(C)(C)O)n[nH]c21 1875293279 KEPRSTSJTFGYKL-SFYZADRCSA-N 267.329 0.933 0 50 CCAA Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2)CCO1 877870789 FTRNJPREPPFKQM-VHDGCEQUSA-N 290.363 0.618 0 50 CCAA CC[C@H]1C(=O)NCCN1Cc1cnc2n1CCOC2 891923885 QQJWTZOURVVTKV-NSHDSACASA-N 264.329 0.124 0 50 CCAA CC(C)C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 888095644 WSTKNSLMJBQRMJ-UMNHJUIQSA-N 254.330 0.585 0 50 CCAA O=C([C@H]1NCC12CCCC2)N1CC[C@]2(CCNC2)C1 888101878 QHCYVFGKOUTWCR-OCCSQVGLSA-N 263.385 0.731 0 50 CCAA Cn1nnc(NC(=O)CN2Cc3ccccc3OC2=O)n1 1411997876 LANKADNUHAXTTH-UHFFFAOYSA-N 288.267 0.163 0 50 CCAA COC(=O)[C@H](N)CCc1c[nH]nc1C(F)(F)F 1772715806 QUYALJQDLJIPTN-ZCFIWIBFSA-N 251.208 0.861 0 50 CCAA CCN(CC(=O)OC)C(=O)c1cc(O)nc2ncccc12 1775998616 DWPACTBLYHSADF-UHFFFAOYSA-N 289.291 0.971 0 50 CCAA C[C@@H]1CN(C[C@](C)(O)C(F)(F)F)C[C@H]1C(N)=O 408048901 RUKGMGCJPDRQPH-BHNWBGBOSA-N 254.252 0.353 0 50 CCAA CCN1CCC(NC(=O)N2CC[C@H](CO)C2)CC1 408213432 BFXBDGWKMQKSSB-NSHDSACASA-N 255.362 0.495 0 50 CCAA CCn1ccc(CN2C[C@H]3COC[C@@]3(C(=O)O)C2)n1 1573971603 ZFKXAKVCGNUOKS-GWCFXTLKSA-N 265.313 0.436 0 50 CCAA COC[C@@H](C)S(=O)(=O)NC[C@@H]1CCc2nccn2C1 275373899 XUGHVEXKTQUMNE-MNOVXSKESA-N 287.385 0.400 0 50 CCAA O=C1COc2cc(C(=O)N[C@H]3CCCOC3)ccc2N1 170936638 HFKTYOKVVRNTHW-JTQLQIEISA-N 276.292 0.926 0 50 CCAA Cn1c(O)nnc1CNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585125663 ARGUAWXCHWRYTP-LPEHRKFASA-N 264.329 0.963 0 50 CCAA CCCCCOCC(=O)N=c1cc(C(=O)OC)n(C)[nH]1 585129010 ULXTUEMKPFOGCX-UHFFFAOYSA-N 283.328 0.774 0 50 CCAA O=C(COC[C@@H]1CCOC1)N(C[C@@H]1CCCN1)C1CC1 186548864 NMIHMULMVQUKSG-OLZOCXBDSA-N 282.384 0.783 0 50 CCAA O=C(NC1(c2ncon2)CCOCC1)c1cscn1 680349838 RGMYCQQZLYAXFV-UHFFFAOYSA-N 280.309 0.962 0 50 CCAA C[C@@H](c1nnnn1C)S(=O)(=O)c1cccc(O)c1 188943091 JJERELSZKFDXMU-ZETCQYMHSA-N 268.298 0.451 0 50 CCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccncc1 1074588406 NFGCIIAPKDMUMD-ATGSNQNLSA-N 289.335 0.032 0 50 CCAA COCC(COC)NC(=O)N1CCO[C@](C)(C2CC2)C1 661277196 SPZYIQBPDAMRHI-AWEZNQCLSA-N 286.372 0.858 0 50 CCAA Nc1n[nH]c(CCN[C@H]2CCN(c3ccccc3)C2)n1 1506427255 LGLARDWQXQBVFY-NSHDSACASA-N 272.356 0.798 0 50 CCAA NCCCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704280023 JBNLDDHIEHXYRL-CHWSQXEVSA-N 263.341 0.494 0 50 CCAA COc1nc(N[C@@H]2CCCCNC2=O)ncc1F 1704315655 ANDMKHOIKDCYBA-MRVPVSSYSA-N 254.265 0.705 0 50 CCAA CC(C)(C(=O)N[C@H]1C[C@@H](N)C12CCC2)n1ccc(N)n1 1615555292 POYJMAGVQINBBG-ZJUUUORDSA-N 277.372 0.587 0 50 CCAA Cc1nonc1OCCNC(=O)c1ccc2c[nH]nc2n1 1775981437 UAMQGWIYLGWXRP-UHFFFAOYSA-N 288.267 0.458 0 50 CCAA CC(=O)c1cnc(NC[C@H]2CN(C)CCN2C)nc1C 1772700264 BFMKJOAPRYEQDO-LBPRGKRZSA-N 277.372 0.645 0 50 CCAA CN1CC[C@@H]2CN(C(=O)CCCn3cccn3)C[C@@H]21 452982903 BGOXCRPSXFEVNP-OLZOCXBDSA-N 262.357 0.826 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(CCOc1ccc(F)cc1)C2 1875246403 FQBIMBFUWJYWBS-YPMHNXCESA-N 294.326 0.651 0 50 CCAA CN(C)c1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 328587350 GDQDBKFIDOPGOH-OAHLLOKOSA-N 289.379 0.909 0 50 CCAA CNC(=O)c1ccc(C(=O)N[C@@H]2COCC2(C)C)cn1 456559835 YMGQZZWUEKDJKF-LLVKDONJSA-N 277.324 0.596 0 50 CCAA CO[C@@H](C(=O)N1CCN(c2nccnc2C)CC1)C1CC1 373002091 JSWLBBDAMKDXNK-CYBMUJFWSA-N 290.367 0.859 0 50 CCAA Cc1nc(CCNS(=O)(=O)CC2CCNCC2)co1 1875307208 XFULOOFJGIOFFG-UHFFFAOYSA-N 287.385 0.445 0 50 CCAA Cc1conc1CN1CCCC[C@H]1CS(N)(=O)=O 931233059 DGIQHNPRWWCJDT-JTQLQIEISA-N 273.358 0.626 0 50 CCAA CN(CC(=O)NC1CC1)c1ncnc(N)c1Cl 227843406 GYBLUHLXLGBYIW-UHFFFAOYSA-N 255.709 0.427 0 50 CCAA NC(=O)NC(=O)CCN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 230054928 FYJKACFEEOKPES-GUBZILKMSA-N 283.328 0.289 0 50 CCAA CCCn1nccc1C(=O)N1CC[C@@H](C(=O)O)C1 565248987 RUSMWOSULPIWJK-SECBINFHSA-N 251.286 0.840 0 50 CCAA COc1ccc(CN2CCO[C@@H](CCN)C2)cn1 426623366 UTSOVCDNGYTWQD-LBPRGKRZSA-N 251.330 0.640 0 50 CCAA O=C(N1CCC(O)CC1)[C@@]12CCCC[C@H]1CNC2 715499114 VPUXTTGEUYFFEL-SMDDNHRTSA-N 252.358 0.750 0 50 CCAA Cc1occc1C(=O)N1CCN(S(C)(=O)=O)CC1 1054484 ZOCZEYXRGHQCMK-UHFFFAOYSA-N 272.326 0.305 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)c2ccn(C)n2)CC[C@H]1O 2356151162 VDGDUVACRKBSBA-OCCSQVGLSA-N 281.356 0.406 0 50 CCAA O=C(O)[C@@H](O)[C@@H](O)C(=O)Nc1ccc(Cl)cc1Cl 3080954 MQVYPODHCWDACC-SFYZADRCSA-N 294.090 0.738 0 50 CCAA Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 3885354 GWICBNFRNOTAGU-UHFFFAOYSA-N 276.745 0.943 0 50 CCAA CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)COC)CC1 8477164 CZBNEZUYWRXVQZ-SNVBAGLBSA-N 292.401 0.199 0 50 CCAA COC(=O)[C@@H]1CCCN1C(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 103183175 NDQQUUGZEQKRBP-NGDQXYMTSA-N 293.319 0.673 0 50 CCAA Cc1ccccc1NC(=O)CN(C)S(C)(=O)=O 22606444 WWVBRQJJFAKZOH-UHFFFAOYSA-N 256.327 0.825 0 50 CCAA CCNC(=O)C1(NC(=O)c2cnnc(C)c2)CCCC1 252481919 CVLSBPOYSVZMDK-UHFFFAOYSA-N 276.340 0.964 0 50 CCAA CC(=O)NCC(=O)N1CC[C@@H](c2sccc2C)[C@H](O)C1 65384901 UAQAFNBJENHKHP-VXGBXAGGSA-N 296.392 0.869 0 50 CCAA CNC(=O)c1cccnc1N[C@H]1CCC(=O)N(C)C1 78295046 AQOCUWFCCGKTOB-VIFPVBQESA-N 262.313 0.474 0 50 CCAA CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccn(C)n1 437650697 BSNBFLXQOUCIFG-UHFFFAOYSA-N 295.320 0.943 0 50 CCAA CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 72140189 QFGRPIXSUFJCSG-LLVKDONJSA-N 297.305 0.401 0 50 CCAA Cc1cc(C(=O)N2CCC[C@](O)(CN(C)C)CC2)[nH]n1 72133073 ZCAIWVSMCDGQMR-CQSZACIVSA-N 280.372 0.637 0 50 CCAA NC(=O)N1CCN2C(=O)N(CC3CCCC3)C(=O)[C@@H]2C1 336043141 KMEKMKYFFYUBHH-JTQLQIEISA-N 280.328 0.204 0 50 CCAA O=C(NCCc1ccccc1)N[C@@H]1CCOC[C@H]1O 222246251 PRPGUBVXRBEQDI-CHWSQXEVSA-N 264.325 0.678 0 50 CCAA CCO[C@@]1(C)C[C@H]1NC(=O)NCC(=O)N1CCCCC1 527675859 CRJHEVDKSOLPPP-RISCZKNCSA-N 283.372 0.866 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)c1nc[nH]c2nccc1-2 613497051 BHXXQZYKQWZMDE-QWRGUYRKSA-N 290.323 0.833 0 50 CCAA O=C(NCC[C@]1(O)CCCOC1)c1cccnn1 529514165 POAYBDHMPLMHJL-GFCCVEGCSA-N 251.286 0.138 0 50 CCAA CN(Cc1cc[nH]n1)C(=O)[C@@H]1CCc2cncn2C1 335547364 FTVNHCPCNRUWQL-SNVBAGLBSA-N 259.313 0.827 0 50 CCAA CC(C)N1CCC[C@H](C(=O)NCCc2cnn[nH]2)C1 426668379 ODYXMSRXNYTLSU-NSHDSACASA-N 265.361 0.584 0 50 CCAA CCn1cc(S(=O)(=O)N[C@H](C)c2nncn2C)cn1 330494234 USJPHZZMYCZOKQ-MRVPVSSYSA-N 284.345 0.071 0 50 CCAA Cc1cnn(CCC(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1 91650698 BGDZNPURYLHOFV-OLZOCXBDSA-N 262.357 0.777 0 50 CCAA CCOC(=O)[C@H]1C[C@@H](C(=O)OCC)C(=O)C[C@@]1(C)O 239347167 MFZCOZQVWJIXPD-JRKPZEMJSA-N 272.297 0.459 0 50 CCAA COCCCn1cnnc1[C@H](C)NC(=O)C1CCOCC1 97551420 IYJFAJNSCOQLHY-NSHDSACASA-N 296.371 0.918 0 50 CCAA CCCc1cc(C(=O)N2CCOC[C@@H]2c2nc[nH]n2)no1 622045135 CKVKQALDNCDPTM-LLVKDONJSA-N 291.311 0.959 0 50 CCAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1ncn[nH]1 244795177 RAZWDIKMXXGZHD-WCQGTBRESA-N 287.323 0.312 0 50 CCAA O=C(CCc1nc(O)c2ccccc2n1)Nc1nnn[nH]1 252507376 WJNARPNWVRNDFR-UHFFFAOYSA-N 285.267 0.420 0 50 CCAA NC(=O)[C@H](O)C1CCN(CCOc2ccccc2)CC1 299752454 UEDXVCSEPZRPSZ-CQSZACIVSA-N 278.352 0.624 0 50 CCAA COCc1noc(CNC(=O)c2ccc(CN(C)C)o2)n1 534588405 VCBJBTAWEKGNDS-UHFFFAOYSA-N 294.311 0.801 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NS(=O)(=O)c1ccccc1F 534642219 UQIZIKJKOXMQLQ-MWLCHTKSSA-N 298.339 0.924 0 50 CCAA CN1CCN([C@H]2CCN(C(=O)Cc3cccnc3)C2)CC1 299796414 OCXRECGFRHOGTE-HNNXBMFYSA-N 288.395 0.472 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)C(=O)N1CCCC1 299767466 GZONRSBCIKSUGB-SNVBAGLBSA-N 279.344 0.488 0 50 CCAA Cc1nn(CCNS(=O)(=O)N(C)C(C)C)c(C)c1C 825290556 SKYXRAGQFAQGSJ-UHFFFAOYSA-N 288.417 0.983 0 50 CCAA NC(=O)c1ccc(NCCCN2CCC(O)CC2)nc1 828630966 DLFGGANYEMMJPS-UHFFFAOYSA-N 278.356 0.439 0 50 CCAA O=C([C@H]1CC=CCO1)N1CCC(c2nnc(O)o2)CC1 1875278153 DVHUDZGESNKRGO-SNVBAGLBSA-N 279.296 0.826 0 50 CCAA O=S1(=O)CC2(CCN(c3ncnc4[nH]ccc34)C2)C1 1875269705 CJILASKPMLJTEJ-UHFFFAOYSA-N 278.337 0.583 0 50 CCAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3Cc4nccn4C3)[C@@H]2C1 1875304520 MJRGZJZUCAMXHX-IYKVGLELSA-N 289.335 0.671 0 50 CCAA NC(=O)N1CCN(c2ncnc3scnc23)CC1 1148191337 ALOMQOXTGSCEQE-UHFFFAOYSA-N 264.314 0.287 0 50 CCAA CCn1cc(CNC(=O)[C@H]2NCC23CCCC3)nn1 1354074692 YCTUTNGTKVJOGD-LLVKDONJSA-N 263.345 0.446 0 50 CCAA COc1cccnc1CNC(=O)N[C@@H]1CCS(=O)(=O)C1 1776005553 DUIAUNSRKBRYTM-SECBINFHSA-N 299.352 0.077 0 50 CCAA CCOc1ccc(NC(=O)N[C@H]2CNCC[C@@H]2O)cc1 1565527612 NDLZCYLMNMFZKS-STQMWFEESA-N 279.340 0.930 0 50 CCAA Cn1cc(Cl)c(C(=O)N2C[C@H]3CCCN[C@H]3C2)n1 1565525151 JOZUMDZQRDVGHM-SCZZXKLOSA-N 268.748 0.898 0 50 CCAA CC(C)n1ccc(NS(=O)(=O)c2cnn(C)c2)n1 280100854 AGIFTCRJAGARNC-UHFFFAOYSA-N 269.330 0.998 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cc[nH]n1 643765426 SUYWVHJIMAMBOA-LBPRGKRZSA-N 252.318 0.137 0 50 CCAA Cn1ccc(S(=O)(=O)N2CCC3(CC2)C[C@H]3C(=O)O)n1 646002265 AVFXVSFRZVXPJY-VIFPVBQESA-N 299.352 0.296 0 50 CCAA CC(C)Oc1cncc(N2CCCN(CCO)CC2)n1 195567098 AASDXZXAMDLKPC-UHFFFAOYSA-N 280.372 0.768 0 50 CCAA CO[C@H]1C[C@@H](C(=O)Nc2nnc3n2CCCC3)N(C)C1 794273548 FRKUBYHFCIJFTR-UWVGGRQHSA-N 279.344 0.272 0 50 CCAA Cc1cc(C(=O)O)nc(NCCN2CCCC[C@@H]2CO)n1 1506396251 BFFQOAVBADZUNF-LLVKDONJSA-N 294.355 0.742 0 50 CCAA COCc1nsc(N(C)[C@@H](C)C[S@](C)=O)n1 302867425 WHFNDHQDRVETQL-GYKQLYQFSA-N 263.388 0.888 0 50 CCAA O[C@H]1CN(C2CCNCC2)C[C@H]1Cc1ccncc1 1704350253 HJCMVZIRVWEPPY-HIFRSBDPSA-N 261.369 0.669 0 50 CCAA O=C(NOCc1cccnc1)[C@@H]1CO[C@H]2COC[C@@H]12 1875293523 SWPQRTDKZDJIEW-TUAOUCFPSA-N 264.281 0.291 0 50 CCAA CNC(=O)C1(C(=O)N(C)c2ccc(OC)nc2)CC1 264289249 HFAKEZHACWVZOY-UHFFFAOYSA-N 263.297 0.579 0 50 CCAA COCCC[C@@]1(CO)CN(c2noc(C)n2)CC[C@H]1O 1857710139 JIDNRFJAVLACQM-YPMHNXCESA-N 285.344 0.354 0 50 CCAA CN1C[C@H](CN2CCC(CCO)CC2)CCC1=O 1772812056 HBZOXDLACLSXRE-CYBMUJFWSA-N 254.374 0.949 0 50 CCAA O=C(O)C[C@@H](NC(=O)Nc1ccccc1)C(=O)O 16887741 PVOMSCXABOONPM-MRVPVSSYSA-N 252.226 0.736 0 50 CCAA Cc1cn2nnc(C(=O)Nc3ccccn3)c2c(=O)[nH]1 206644177 DKHZAKHNEFEKAO-UHFFFAOYSA-N 270.252 0.373 0 50 CCAA CN(CC1CC1)C[C@@H]1CN(Cc2cnnn2C)CCO1 328641288 QOLWCAGQYWYWTM-CQSZACIVSA-N 279.388 0.358 0 50 CCAA Cc1cc(CN2CCO[C@@H](CN(C)CC(=N)O)C2)no1 330401055 KDWCZXBMSSRXAY-LBPRGKRZSA-N 282.344 0.651 0 50 CCAA Cc1cccc(C)c1OCCNC(=O)[C@H]1C[C@H](O)CN1 152151623 RKNZMLLOJUFASV-QWHCGFSZSA-N 278.352 0.521 0 50 CCAA CCCCn1nc(C(=O)N2C[C@H](C)N[C@@H](C)C2)ccc1=O 153893380 SFEIMQVQFUJQOL-RYUDHWBXSA-N 292.383 0.866 0 50 CCAA C[C@H]1C[C@H](C(=O)Nc2ccn(CC(=O)O)n2)CCO1 262819167 VULZEMYRIILJRO-DTWKUNHWSA-N 267.285 0.721 0 50 CCAA C[C@H](C(=O)NCc1cccc(O)c1)N1CCN(C)CC1 263649891 FOCUKZBQECSZNS-GFCCVEGCSA-N 277.368 0.644 0 50 CCAA CCNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 4840480 RCOKDCRHZAUACS-UHFFFAOYSA-N 272.326 0.952 0 50 CCAA C[C@@H]1C[C@@H](C(=O)N2CCOC[C@H]2CC(=O)O)CCO1 257708723 QXVMFBBSRISWHT-OUAUKWLOSA-N 271.313 0.504 0 50 CCAA CCc1onc(C)c1C(=O)N1C[C@H](C)O[C@H](CO)C1 187885234 URVKIZWBGPGXPP-WPRPVWTQSA-N 268.313 0.767 0 50 CCAA Cn1cc(Cl)c(C(=O)N2CCC[C@H]2C(=O)O)n1 426527642 CLKIRBKPEYDYEN-ZETCQYMHSA-N 257.677 0.763 0 50 CCAA Cn1nnnc1CN1Cc2ccccc2[C@H](C(=O)O)C1 652471008 QDILAYUUHGPXHB-LLVKDONJSA-N 273.296 0.394 0 50 CCAA Cc1c(O)nc(SCC(N)=O)n(-c2ccccc2)c1=O 455014 OKBLGSUQQOOOAW-UHFFFAOYSA-N 291.332 0.824 0 50 CCAA Cc1ccc(NS(C)(=O)=O)c(NS(C)(=O)=O)c1 484111 LAUWCKCPAQBYRD-UHFFFAOYSA-N 278.355 0.738 0 50 CCAA Cc1cccc(C)c1OC[C@H](O)CN(C)S(=O)(=O)O 2472026 PFHPZGZMRSEQLT-LLVKDONJSA-N 289.353 0.778 0 50 CCAA COCCCNC(=O)c1ccccc1NS(C)(=O)=O 6267625 VXLBIRUMVKSRHH-UHFFFAOYSA-N 286.353 0.824 0 50 CCAA CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(N)=O 55145666 FHQWMALYJBMVMD-OLZOCXBDSA-N 277.368 0.573 0 50 CCAA COCCN1C(=O)N[C@@H]2CN(C(=O)[C@H]3CC3(C)C)CC[C@@H]21 347019108 KAHLHGXYMRXDEO-UTUOFQBUSA-N 295.383 0.674 0 50 CCAA C[C@@H](Cn1cnc2cn(C)nc2c1=O)Oc1cccnc1 72163659 IVUBPNYUCBFGJI-JTQLQIEISA-N 285.307 0.993 0 50 CCAA O=C(NCc1nc2cccnc2[nH]1)c1cnn2cccnc12 348452955 VKUBRLRNYDTHAK-UHFFFAOYSA-N 293.290 0.931 0 50 CCAA COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1 20727052 QERZGVJGLOVXNV-UHFFFAOYSA-N 277.368 0.672 0 50 CCAA CN(C[C@@H]1CCCO1)C(=O)C(C)(C)S(C)(=O)=O 355171883 OVFCLIRPYQEXON-VIFPVBQESA-N 263.359 0.447 0 50 CCAA CC[C@@H](C)CS(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1 152937403 QGDJWGBADUAECT-SNVBAGLBSA-N 297.442 0.871 0 50 CCAA OC[C@@]1(O)CCCN(Cc2cccc3nonc23)CC1 72167121 CBKCNDQYIWCZGS-CQSZACIVSA-N 277.324 0.932 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CC[C@@]2(CC(=O)NC2=O)C1 77388722 UAEGGIUJSCREEM-CYBMUJFWSA-N 295.726 0.557 0 50 CCAA CN(CCO)c1nc(-c2ccccn2)nc2c1CCNC2 72168640 YKBWMMWEFMNBPT-UHFFFAOYSA-N 285.351 0.613 0 50 CCAA COC(=O)[C@@]1(N)CCCN(C(=O)OC(C)(C)C)C1 215324144 VUKOJTPPLYJJTI-GFCCVEGCSA-N 258.318 0.888 0 50 CCAA COC(=O)c1cn([C@@H]2CCN(CC3=CCCOC3)C2)nn1 242302120 YPQOTVUPTKUARZ-GFCCVEGCSA-N 292.339 0.658 0 50 CCAA C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)N1CCOCC1 334925668 BIVMMAXJGMBHRP-STQMWFEESA-N 267.373 0.997 0 50 CCAA COCCN1CCC[C@H](CNC(=O)c2cccc(N)n2)C1 220493663 OOTDBNCCLQVPGN-GFCCVEGCSA-N 292.383 0.752 0 50 CCAA C[C@@H](C(=O)N1CCOC[C@@H]1C(=O)O)C1CCOCC1 263233166 CADREHRGZHHUPP-MWLCHTKSSA-N 271.313 0.361 0 50 CCAA Cc1c(C(=O)N(C)[C@H](C)CN)cccc1N1CCNC1=O 179186245 LNDQBMYSKALINC-SNVBAGLBSA-N 290.367 0.944 0 50 CCAA COCCN1CCC[C@H](C(=O)NCCc2ncc[nH]2)C1 426497535 YAIBAISWYRQAFS-LBPRGKRZSA-N 280.372 0.427 0 50 CCAA O=C(Cn1ccnn1)NCc1ccc2c(c1)CCCO2 426379635 FOLXBTVULWPLTI-UHFFFAOYSA-N 272.308 0.920 0 50 CCAA CCN(CCn1cccn1)C(=O)c1cnc(C)[nH]c1=O 91651450 GDVRRJUNXNKGED-UHFFFAOYSA-N 275.312 0.437 0 50 CCAA CCN1C[C@H](C(=O)N(C)Cc2nnc(C)o2)CC1=O 91713237 GDJBIOULFCHQBA-SECBINFHSA-N 266.301 0.205 0 50 CCAA Cc1nc2sccn2c1C(=O)N[C@H]1C=CS(=O)(=O)C1 97819433 GEKGQUSWKWUBPJ-QMMMGPOBSA-N 297.361 0.745 0 50 CCAA Cc1nc(C)c(C)c(N2C[C@H](O)[C@@H](N(C)C)C2)n1 91587216 SKIATADVNRYNNR-RYUDHWBXSA-N 250.346 0.513 0 50 CCAA CN1CC[C@H]2CN(C(=O)CCCn3cccn3)C[C@H]21 243902135 BGOXCRPSXFEVNP-QWHCGFSZSA-N 262.357 0.826 0 50 CCAA O=S(=O)(NC1CCCC1)[C@@H]1CCCN(CCCO)C1 183747546 MPUZAPDTILHMQM-CYBMUJFWSA-N 290.429 0.695 0 50 CCAA Cc1cc(C#N)nc(N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)n1 299743201 MOFZQRIJCWZDJE-RKDXNWHRSA-N 299.256 0.757 0 50 CCAA CC(C)c1ocnc1C(=O)NCc1nc(N)n[nH]1 534630865 OXCUSSHMJJYPSB-UHFFFAOYSA-N 250.262 0.428 0 50 CCAA Cn1ccnc1CCNC(=O)[C@@H]1CSC(C)(C)C(=O)N1 534671187 QRHTUOLKWJCIOG-VIFPVBQESA-N 296.396 0.089 0 50 CCAA CCc1noc(CNS(=O)(=O)c2cnc(CC)[nH]2)n1 823484450 DYCOOHLNXFEQFQ-UHFFFAOYSA-N 285.329 0.396 0 50 CCAA COc1nc(N2CCO[C@@H](CCN)C2)ncc1F 584895176 AVVBTDZENFFVBN-QMMMGPOBSA-N 256.281 0.178 0 50 CCAA CCc1noc(CNC(=O)[C@@]2(C)CC(C)=NO2)n1 584900059 IWALDWZIMMMNHL-LLVKDONJSA-N 252.274 0.803 0 50 CCAA Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 584890869 JUJGTNPMAMAPHV-NSHDSACASA-N 299.396 0.430 0 50 CCAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC[C@@H](O)CO 952995430 LUHGGVWONCIJTP-SYQHCUMBSA-N 287.400 0.933 0 50 CCAA COc1cccc(O)c1S(=O)(=O)NCC(F)(F)CO 1875290587 RGMUJOUXOVRXLM-UHFFFAOYSA-N 297.279 0.307 0 50 CCAA CCC[C@](O)(CN1CCn2c(O)nnc2C1)C(F)(F)F 1875291968 RIOCPMYNABMNNI-JTQLQIEISA-N 294.277 0.893 0 50 CCAA COC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2cn[nH]c2)C1(C)C 1875334903 JSDIIPDIKJXQAY-RKDXNWHRSA-N 287.341 0.276 0 50 CCAA NC(=O)c1ncc(NC(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)s1 1875332977 TTYIBRRMWHWOSA-JIGDXULJSA-N 296.352 0.762 0 50 CCAA Cc1noc([C@]23CCN(C)C[C@H]2CN(CC2COC2)C3)n1 1875308044 QQYNYNKSXZXYJK-ZFWWWQNUSA-N 292.383 0.530 0 50 CCAA CCc1ncnc(N2CCc3c(O)nc(O)nc3C2)c1F 1875306497 IIROFQNNUMCWBF-UHFFFAOYSA-N 291.286 0.942 0 50 CCAA CN1C[C@@H]2CN(C(=O)c3nc4ncccn4n3)C[C@]2(C)C1 887923383 YWLKCZNPYQBFSD-YGRLFVJLSA-N 286.339 0.148 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)Nc2ncccc2O)C1=O 888076376 BDOZHFBYRANZLT-LLVKDONJSA-N 293.323 0.753 0 50 CCAA CC1(CO)CN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 892794206 PCSNBRNGIVJMNX-AWEZNQCLSA-N 289.379 0.725 0 50 CCAA C=CC(=O)Nc1cc(=O)n(CCC)c(=O)n1CCC 1775997648 OAHZMRUOCRDZEY-UHFFFAOYSA-N 265.313 0.955 0 50 CCAA COc1cccc(O)c1S(=O)(=O)N1CC[C@@]2(CCO2)C1 1775993932 XLTCMCCQRDTDEZ-CYBMUJFWSA-N 299.348 0.954 0 50 CCAA COC[C@H]1[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@H]2CCO[C@H]21 1565528716 UUUBNSTWXYPCQI-UEEZHKSASA-N 293.367 0.735 0 50 CCAA CC(C)c1nnsc1CN1CC[C@@H](CO)[C@@H](O)C1 1565516149 FXLKRONJDIKUEC-UWVGGRQHSA-N 271.386 0.837 0 50 CCAA CCn1ccc(C(=O)N[C@H]2CCOC[C@@H]2OC)n1 1565512782 XZBSPUPHKSBVJK-ONGXEEELSA-N 253.302 0.437 0 50 CCAA COC[C@H]1[C@H](NC(=O)Cc2nonc2C)[C@H]2CCO[C@H]21 1565516860 WDEKUVZSTJNBPY-OTMMVIPVSA-N 281.312 0.087 0 50 CCAA CC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(N)=O)cc1 1565527319 VUODPMIQCOVTJD-STQMWFEESA-N 278.308 0.458 0 50 CCAA CNC(=O)[C@H]1CCCN1C(=O)C[C@](C)(O)C1CC1 407997115 MRWNCRWVMYYUOA-MFKMUULPSA-N 254.330 0.275 0 50 CCAA NC(=O)[C@@]1(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CCOC1 585091106 YERNYZNKZFXIIO-KZWBYHQPSA-N 266.341 0.573 0 50 CCAA C[C@@H]1C(=O)NCCCN1C(=O)c1cccc2c1OCO2 191767133 POMZULRDRQNJFR-SECBINFHSA-N 276.292 0.766 0 50 CCAA Cc1cccc(CS(=O)(=O)NC[C@@H]2CNCCCO2)c1 564788449 IVZAQTBSMGCLIU-AWEZNQCLSA-N 298.408 0.793 0 50 CCAA Nc1nnc(CCCNC(=O)[C@@H]2CC[C@H](N)C2)s1 215531641 IHHMTHBKAKKDMC-SFYZADRCSA-N 269.374 0.297 0 50 CCAA CC(C)n1ccc(C(=O)N[C@H]2CC[S@@](=O)C2)n1 408305568 LATFENQPPJTJFH-HUTHGQBESA-N 255.343 0.715 0 50 CCAA Cc1ocnc1C(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704343862 GTYKNILFCSOLLV-IUODEOHRSA-N 293.367 0.902 0 50 CCAA CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)O)N1CCCC1=O 236659395 CTINMNUBYBMJDP-WPRPVWTQSA-N 256.302 0.223 0 50 CCAA Cc1cc(CC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)no1 237597269 HPWBSRZQXHXBMJ-BDAKNGLRSA-N 252.270 0.895 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2noc(C(C)(C)C)n2)C1 583617342 VHMUITWXULHDHB-YUMQZZPRSA-N 268.317 0.446 0 50 CCAA CCn1cc(CC(=O)N2C[C@H]3CCC[C@]3(N)C2)nn1 1615555064 XHTBTOFUCFPXBS-MFKMUULPSA-N 263.345 0.180 0 50 CCAA OCC1(CO)[C@H]2CN(c3nc4ccccc4o3)C[C@@H]21 1772813271 YZXZADAETBKEFG-UWVGGRQHSA-N 260.293 0.865 0 50 CCAA Cc1ccc(OCC(=O)N2C[C@@H]3[C@@H](C2)C3(CO)CO)cc1 1772711078 WKKNJEGZNCTWLS-ZIAGYGMSSA-N 291.347 0.433 0 50 CCAA CC(C)CNC(=O)[C@H]1CNC[C@@H](CN2CCOCC2)C1 14743668 BFKLMACPUMFCBF-UONOGXRCSA-N 283.416 0.317 0 50 CCAA C[C@H]1NC(=O)[C@H]2CN(Cc3ccccc3F)CCN2C1=O 14749334 BMDKDOSUUGUXQC-ZWNOBZJWSA-N 291.326 0.357 0 50 CCAA COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 14806803 NWRQXIQGLPCWCL-SFYZADRCSA-N 273.285 0.727 0 50 CCAA C[C@@H](C(=O)NCCc1nccs1)N1CCCC1=O 19537382 GTPFQUAXDRRTSR-VIFPVBQESA-N 267.354 0.813 0 50 CCAA CCn1ccc(CNC(=O)N[C@@H]2CCCN(C)C2=O)n1 528012973 OJFYCGRPZVKZHA-LLVKDONJSA-N 279.344 0.323 0 50 CCAA O=C(O)[C@H]1[C@H]2CN(C(=O)[C@H]3CCc4cncn4C3)CC[C@H]21 910851635 NGFZEAMMAIMJLI-ZBAXXZLZSA-N 289.335 0.625 0 50 CCAA c1nonc1CN1CC[C@@H](n2cc(C3CC3)nn2)C1 931120017 COCHPNIFASLVLA-LLVKDONJSA-N 260.301 0.986 0 50 CCAA COC(OC)C(=O)N1CCN(CCc2ccncc2)CC1 857706239 BIQCRWPNKAKPOD-UHFFFAOYSA-N 293.367 0.387 0 50 CCAA O=S(=O)(NCC1(CO)CCOCC1)N1CCCCC1 129383283 WAKQMSGLMBPHCW-UHFFFAOYSA-N 292.401 0.096 0 50 CCAA COc1cc(-c2ccc(OC)nc2OC)nc(N)n1 426443070 CFWVIGRBXLDLBG-UHFFFAOYSA-N 262.269 1.147 0 50 CCAA O=C(O)c1ccc(N2CCO[C@]3(CCOC3)C2)nn1 563205894 OKJTWSZXJXUAAU-GFCCVEGCSA-N 265.269 0.171 0 50 CCAA OC[C@H]1CNCCN1CCc1ccc2c(c1)CCO2 685943260 IYBVZRVGFIOZOE-CQSZACIVSA-N 262.353 0.430 0 50 CCAA Cc1c[nH]c(C(=O)N[C@@H]2CCOCC[C@H]2C(=O)O)c1 2325792439 CGTOPMRKLWQHQX-NXEZZACHSA-N 266.297 0.933 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(CCNC2)NC(=O)C1 2325712142 VMKWTJFBIUCXSQ-ZDUSSCGKSA-N 269.345 0.476 0 50 CCAA CCN1C(=S)N(CC)[C@@]2(O)c3ccccc3C(=O)[C@@]12O 322108 AWXQUUFLRKRMNZ-KGLIPLIRSA-N 292.360 0.659 0 50 CCAA CC(C)n1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C 322270 RJQIJANJKHTIML-UHFFFAOYSA-N 251.290 0.070 0 50 CCAA COc1ccc(CN2C(=O)N[C@@H](CC(=O)O)C2=O)cc1 8764945 YNZIDRBYLJOMPS-JTQLQIEISA-N 278.264 0.590 0 50 CCAA biogenic CN1CCc2ncnc(N3CCN4CCC[C@H]4C3)c2C1 247961243 DXEKTKJRWFIRRR-LBPRGKRZSA-N 273.384 0.749 0 50 CCAA Cc1ccoc1C(=O)N1CCn2c(C(N)=O)cnc2C1 65410191 CFXDNRAURSUTOT-UHFFFAOYSA-N 274.280 0.539 0 50 CCAA C[C@@H]1CN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 229567673 AGNYUHJILJVILM-GMTAPVOTSA-N 290.385 0.240 0 50 CCAA CO[C@H]1Cc2ccccc2N(S(=O)(=O)N(C)C)C1 252486132 HHQOPRPUPMMEKZ-NSHDSACASA-N 270.354 0.871 0 50 CCAA Cn1nnc(CN2CCC[C@@H](Oc3ncccc3F)C2)n1 281568973 DUDVEESGLBTOIE-SNVBAGLBSA-N 292.318 0.788 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)[C@@H]1CCCCO1 128262765 QIFVNFMVKSQTNF-UWVGGRQHSA-N 257.286 0.258 0 50 CCAA CC[C@H](O)[C@H](C)C(=O)N1CCC(c2nnc(O)o2)CC1 822566707 JYKQXCFHSNXASJ-WPRPVWTQSA-N 283.328 0.888 0 50 CCAA C[C@H]1C(=O)N(C)CCN1C(=O)Cc1ccc2n[nH]cc2c1 356911011 ZBUCRKHOIGLRRW-JTQLQIEISA-N 286.335 0.795 0 50 CCAA O=C(C1CCS(=O)(=O)CC1)N1CC(c2ccccn2)C1 72137417 CVNXIRVWRUXSDY-UHFFFAOYSA-N 294.376 0.832 0 50 CCAA O=C(Cn1cc2ccccc2n1)NC[C@@H]1CCNC[C@H]1O 72147377 LGMGANYCZHDZQO-SMDDNHRTSA-N 288.351 0.123 0 50 CCAA C[C@@H]1Oc2c(cccc2C(=O)NCC(=O)O)NC1=O 262242397 BTPKVJDORNMKMC-LURJTMIESA-N 264.237 0.220 0 50 CCAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CN(C)C 219595514 NAOFJDHJGHZODX-CHWSQXEVSA-N 270.373 0.805 0 50 CCAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H]2CCNC2)C[C@@H](C)O1 237408418 IYZQLEFAGDWDHQ-TUVASFSCSA-N 295.427 0.696 0 50 CCAA CC[C@H](O)C(=O)N1CCc2c(nc(C)nc2N(C)C)C1 72128891 OXBFEUGXLRBPLB-LBPRGKRZSA-N 278.356 0.507 0 50 CCAA Cn1cccc1C(=O)C(=O)NCc1nnc2ccccn12 219001850 NODVYUPLBOOQNS-UHFFFAOYSA-N 283.291 0.567 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)CCc3cnn(C)c3)[C@@H]2C1 285658164 GHYJHWLNQUOLNP-ZIAGYGMSSA-N 292.383 0.284 0 50 CCAA Cc1nc(C2CC(N)C2)cc(N(C)CCCO)n1 220302655 VAISFISAEFSJDB-UHFFFAOYSA-N 250.346 0.808 0 50 CCAA Cc1cnccc1CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 426490457 IAFFNMHFAWGNFB-LBPRGKRZSA-N 282.365 0.783 0 50 CCAA COCCN1CC[C@@H](CNC(=O)CN2CCC(C)CC2)C1 136158071 PBJHFAHSCYUWCU-HNNXBMFYSA-N 297.443 0.803 0 50 CCAA N=c1[nH]nc(CCCNC(=O)C[C@H]2CCOC2)s1 426633895 MABCIYJAWGGFIG-MRVPVSSYSA-N 270.358 0.426 0 50 CCAA Cc1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)c(=O)[nH]c1C 92097578 VIUFQKSIWHPMLN-SECBINFHSA-N 282.321 0.032 0 50 CCAA NCCc1cccc(CN2CCNC[C@H](C(=O)O)C2)c1 97638040 WYKVLXCDUBOUIK-AWEZNQCLSA-N 277.368 0.294 0 50 CCAA CC[C@H](NC(=O)c1cn(C)c(C)cc1=O)[C@H]1C[C@H](O)C1 244887830 YPHMDHNRDNZFMI-GVXVVHGQSA-N 278.352 0.973 0 50 CCAA O=C(NCc1ccc2c(c1)CCC2)[C@@H]1C[C@H](O)CN1 299753115 WWVXUHVHNKIMBG-KBPBESRZSA-N 260.337 0.514 0 50 CCAA C[C@H]1CSCCN1C(=O)c1cn(CC2(C)COC2)nn1 184927510 GVHSQTSEAAAMDT-JTQLQIEISA-N 296.396 0.892 0 50 CCAA O=C(c1ccco1)N1CCN(C(=O)[C@H]2C=CCN2)CC1 534585457 TVDOXCNRZFPZES-LLVKDONJSA-N 275.308 0.092 0 50 CCAA CN1CCN(CC2(CN[C@@H]3CCOC3)CC2)CC1 534654298 UZZRHINNVVTAOL-CYBMUJFWSA-N 253.390 0.393 0 50 CCAA CCCOCc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1 361958390 YGGRFOHEVQYIOM-GJZGRUSLSA-N 292.379 0.952 0 50 CCAA CS(=O)(=O)Nc1ccc(-c2cncnc2)cn1 374071904 KXFQDNYCTNVXDI-UHFFFAOYSA-N 250.283 0.910 0 50 CCAA CC(C)c1nnc([C@H](C)NC(=O)c2ccc(=O)n(C)n2)o1 299759054 NACYDRJQPFDOIC-QMMMGPOBSA-N 291.311 0.778 0 50 CCAA Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(C(=O)O)C1 1328438580 ZXWNDBMCIIIZKV-ZWNOBZJWSA-N 266.297 0.824 0 50 CCAA Cc1nc2c([nH]1)CN(C(=O)CN1CCC[C@H](O)C1)CC2 828627482 ZQOPEOQIOWXNRF-NSHDSACASA-N 278.356 0.060 0 50 CCAA CCC(=O)N1CCC(C(=O)N2CCC[C@H](C(N)=O)C2)CC1 822529265 ALAQCHRIMSWFRL-LBPRGKRZSA-N 295.383 0.359 0 50 CCAA Nc1cc(C(=O)NCCCC[C@H]2CCCO2)[nH]n1 584884637 QVMCFZOCHZMEGV-VIFPVBQESA-N 252.318 1.071 0 50 CCAA CSCCN1CCN(C(=O)c2cncn2C)CC1 584896282 QNYGGJKUWABPSI-UHFFFAOYSA-N 268.386 0.541 0 50 CCAA COCc1nc([C@@H]2CCOC2)n(CC(C)(C)O)n1 670469805 DIZATYOLCHIVRU-SECBINFHSA-N 255.318 0.699 0 50 CCAA Cc1nc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)no1 670441934 SQWYFJRRXWEEKV-RYUDHWBXSA-N 266.345 0.409 0 50 CCAA CC(=O)N1CCC(N[C@H]2CCc3c[nH]nc3C2)CC1 670468592 FSHUINVUKPCTER-ZDUSSCGKSA-N 262.357 0.868 0 50 CCAA CNC(=O)C[C@@H]1CCN(CC(C)(C)CN2CCOCC2)C1 670473796 IZCLSXANVBPWAI-AWEZNQCLSA-N 297.443 0.803 0 50 CCAA CC(C)C(=O)N1CCC[C@@H](NC(=O)c2ncc[nH]c2=O)C1 670448489 QUJVVKSPHSMTTN-SNVBAGLBSA-N 292.339 0.147 0 50 CCAA CCOC1CC(C(=O)NCc2c[nH]nc2[C@H]2CCNC2)C1 952849311 ABHMQFAVJYWMPI-ZBOXLXRLSA-N 292.383 0.918 0 50 CCAA O=C(c1cnn(-c2ccccn2)c1)N1CCS(=O)CC1 1875271538 OYUVAJMYJMMIJS-UHFFFAOYSA-N 290.348 0.472 0 50 CCAA C[C@@H](CO)CNC(=O)Nc1ncc2c(n1)C(C)(C)OC2 1875289335 JFZXEPOYCNUCBY-MRVPVSSYSA-N 280.328 0.992 0 50 CCAA COC(=O)c1cc(CNC(=O)/C=C/CN(C)C)n(C)c1C 1875376790 IRQCYKXNGZAKME-VOTSOKGWSA-N 293.367 0.854 0 50 CCAA COCCN(C(=O)/C=C/CN(C)C)[C@H]1CCO[C@@H]1C 1875375522 GOJVQULIKCEIJW-PBJSTTKNSA-N 270.373 0.757 0 50 CCAA CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H](N)CO)cc1 952980655 XMSRSALSLZMPDM-LBPRGKRZSA-N 279.340 0.929 0 50 CCAA CNC(=O)C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1O 1875404193 ZCZIKYXNLZHDFW-ZWNOBZJWSA-N 291.351 0.461 0 50 CCAA Cc1cc(C(=O)NCC2CCN([C@@H](C)C(=O)O)CC2)no1 952975186 CLNZURMYZOUILG-JTQLQIEISA-N 295.339 0.898 0 50 CCAA CCn1ccc(CNC[C@@H]2CCN(CCOC)C2)n1 952963069 FHYFWRTXPGGZJV-ZDUSSCGKSA-N 266.389 0.961 0 50 CCAA O=C([C@H]1CCCc2nn[nH]c21)N1CC(N2CCCC2=O)C1 888750343 QITGXWCSTDZVKM-JTQLQIEISA-N 289.339 0.058 0 50 CCAA CN1CC2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)C2 1181899617 QAOHQMYRBSWOTJ-ZDUSSCGKSA-N 274.320 0.600 0 50 CCAA CCc1cc(C)nc(NCC2(S(N)(=O)=O)CCC2)n1 895604997 HLRYSYJRTWTOBG-UHFFFAOYSA-N 284.385 0.971 0 50 CCAA N=c1nc(N2CCN(C[C@H]3CCCO3)CC2)s[nH]1 407949547 QJGPTVQDQACYLX-SECBINFHSA-N 269.374 0.252 0 50 CCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1Nc1ncnc2[nH]ccc12 1565527057 JZJZQIMYKDAITO-IELRGYKMSA-N 287.323 0.662 0 50 CCAA C[C@H]1CN(C(=O)CCc2nncn2C)C[C@]1(O)C1CCC1 1565509401 BQKAXYHVCMWQBA-XHDPSFHLSA-N 292.383 0.757 0 50 CCAA Cc1ccc(NC(=O)C(=O)NC[C@H](O)C(C)(C)C)c(O)n1 170594774 UMXKTJQHMJVSEC-JTQLQIEISA-N 295.339 0.557 0 50 CCAA CC(C)c1nccc(N2CC[C@](O)(c3cnn[nH]3)C2)n1 583616661 XTEUZDKOSSZOJS-CYBMUJFWSA-N 274.328 0.816 0 50 CCAA Cc1ccc(NC(=O)N[C@@]2(CO)CCOC2)c(C)n1 186531804 KLMZQJREVCGJEW-CYBMUJFWSA-N 265.313 0.971 0 50 CCAA CC[C@@H]1CN(c2ncc(S(N)(=O)=O)s2)CCO1 170639463 KHNQJNZUVSKOIZ-SSDOTTSWSA-N 277.371 0.406 0 50 CCAA C[C@H]1CN(C(=O)N=c2cc3ccccn3[nH]2)C[C@H]1CN 632946995 UTPZRAUJGVQXNI-WDEREUQCSA-N 273.340 0.815 0 50 CCAA CC1(C)[C@@H](NCCN2CCCC2=O)[C@@H]2CCCN[C@H]21 693665739 GAMLYKLRAHUBKM-BNOWGMLFSA-N 265.401 0.975 0 50 CCAA CCCS(=O)(=O)N1CCN(Cc2ccncc2)CC1 19842798 ZPLRHSJRQRRHEO-UHFFFAOYSA-N 283.397 0.939 0 50 CCAA CCC1=NO[C@H](CNC(=O)Cn2nc(C)cc2N)C1 1506403338 NWXAUVKQNYAAIV-JTQLQIEISA-N 265.317 0.445 0 50 CCAA CC[C@@H](CNc1nccnc1N(C)C)N1CCN(C)CC1 1529195909 QCGBRWWLXDEZHB-ZDUSSCGKSA-N 292.431 0.981 0 50 CCAA CC(=O)c1cc2c(cc1O)O[C@@H]([C@](C)(O)CO)C2 248381163 SHYHWQIISKJNHX-CHWSQXEVSA-N 252.266 0.642 0 50 CCAA biogenic O=C(c1ccccc1F)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704326034 UDAVBMOLNIAMBQ-OKILXGFUSA-N 293.250 0.827 0 50 CCAA O=C([C@H]1COc2ccccc21)N1CC[C@@]2(CNCCO2)C1 1616040697 SYTPRSLRYJCLPM-XJKSGUPXSA-N 288.347 0.754 0 50 CCAA CN1C(=O)CCO[C@H]2CN(Cc3cnsc3)C[C@@H]21 1857734559 LWRADIRSSIBCRI-QWRGUYRKSA-N 267.354 0.575 0 50 CCAA CCC1(O)CCN(C(=O)[C@]23CNC[C@H]2CCOC3)CC1 1615554004 PGBDWOALETZCHL-DOMZBBRYSA-N 282.384 0.376 0 50 CCAA COc1cccc(NC(=O)CN2CCN(C)CC2)c1 20220145 FGLHOUPHACUNDB-UHFFFAOYSA-N 263.341 0.881 0 50 CCAA Cc1cc(C[C@@H]2CN(CC3COCCOC3)C[C@@H]2O)on1 1857711980 BIHGPTWWERYINY-HIFRSBDPSA-N 296.367 0.481 0 50 CCAA Cc1c[nH]cc1C(=O)NCC(=O)NCCN1CCCCC1 818026881 KYITZMOSMSOXLH-UHFFFAOYSA-N 292.383 0.655 0 50 CCAA Cc1cc(C[C@@H]2CN(c3nnc4ccccn34)C[C@@H]2O)n[nH]1 1875247801 OWLSCVPYMOWICE-YPMHNXCESA-N 298.350 0.801 0 50 CCAA C[C@H]1C[C@H](CNS(N)(=O)=O)CN1Cc1ccccc1 122114925 PMPPOLPUODHVJS-WCQYABFASA-N 283.397 0.690 0 50 CCAA COc1ccccc1CCC(=O)N1CC[C@H](CO)[C@@H](O)C1 562418326 MBMIFQUOTGOUDT-KGLIPLIRSA-N 293.363 0.830 0 50 CCAA C[C@](O)(CNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)C(F)(F)F 367924260 JDCGMWURDOEQAJ-LOKLDPHHSA-N 297.273 0.467 0 50 CCAA COC[C@H]1CN(C(=O)c2cn3ccccc3n2)CCO1 265968925 JXKQHCJBJLPXRP-LLVKDONJSA-N 275.308 0.822 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)C[C@H](C(=O)O)O1 909896845 DONLRSKMUXFVAP-HJQYOEGKSA-N 293.323 0.224 0 50 CCAA O=c1cc(CN2CCC[C@H]2c2nc[nH]n2)[nH]c2ccnn12 931139251 AMSZJUMTDOEEOK-JTQLQIEISA-N 285.311 0.478 0 50 CCAA CN1CCN(C(=O)C[C@H]2CCCNCC2)C(C)(C)C1=O 299749230 JNBSPLSOMGCLPW-LBPRGKRZSA-N 281.400 0.845 0 50 CCAA O=C(Cc1cccs1)N1CCOC[C@@H](CO)C1 77374896 MSAUMMGQTXFIED-SNVBAGLBSA-N 255.339 0.758 0 50 CCAA Cn1ccnc1CCNC(=O)c1cnc(N)s1 720280503 NPMUTTZXSVVQND-UHFFFAOYSA-N 251.315 0.431 0 50 CCAA CC(C)Cc1nc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)no1 2100473445 LYADJEOEGLNEHJ-MNOVXSKESA-N 294.355 0.215 0 50 CCAA Cc1nn(C)c(C)c1[C@H](NC(=O)C1CC1)C(=O)O 2325780720 KFGTZGWBFZUGOL-JTQLQIEISA-N 251.286 0.689 0 50 CCAA NC[C@@H]1C[C@H]2CN(C(=O)[C@@H]3NCC34CCCC4)C[C@@H]12 2325787918 BXEHQPVMMJVRJI-CYDGBPFRSA-N 263.385 0.572 0 50 CCAA N[C@@H](CC(=O)O)C(=O)N1CC=CCC2(CCOCC2)C1 2325829386 IRWPQUZCLVAMDM-NSHDSACASA-N 282.340 0.374 0 50 CCAA CCc1c[nH]nc1CNC(=O)c1ccc2nnc(O)n2c1 2325876187 MHAYSXUCLGWIST-UHFFFAOYSA-N 286.295 0.650 0 50 CCAA O=C1NCc2cccc(C(=O)N3CC[C@]4(CCNC4)C3)c21 2325887710 BQTZATPDIQJJCH-INIZCTEOSA-N 285.347 0.756 0 50 CCAA C[C@H](CCc1ccccc1)NC(=O)C(=O)NCCO 3017418 BIAPIOFMRYJXBZ-LLVKDONJSA-N 264.325 0.232 0 50 CCAA COC(=O)c1ccc(NC(=O)CCn2cnnn2)cc1 4721812 OGJPXYKJYYNNES-UHFFFAOYSA-N 275.268 0.489 0 50 CCAA CC[C@@H](C)N(CC(=O)O)C(=O)c1cccc[n+]1[O-] 225479782 TWJUMOMUFWFZGC-SECBINFHSA-N 252.270 0.645 0 50 CCAA O=C(O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O 8765363 QAQCNEQMIWQYAW-QMMMGPOBSA-N 252.226 0.565 0 50 CCAA biogenic NC(=O)[C@H](O)CNC(=O)Nc1ccc(Cl)cc1 225661917 VNKKNYLTXOYKCS-MRVPVSSYSA-N 257.677 0.308 0 50 CCAA CCOCCNC(=O)NCCNC(=O)c1ccc(F)cc1 56834783 DXKASLJUSAYPBO-UHFFFAOYSA-N 297.330 0.891 0 50 CCAA COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cnc(C)nc1 351755336 IFYGJNJXEBVXEW-STQMWFEESA-N 279.340 0.937 0 50 CCAA CC(C)[C@H](NC(=O)CN1CC(=O)NC1=O)c1ccccn1 67773315 MBKUDNUDNWTFFZ-ZDUSSCGKSA-N 290.323 0.447 0 50 CCAA COC(=O)c1ccccc1CN1CCO[C@H](C(=O)OC)C1 353422892 OTZJOUUWIGOXIZ-ZDUSSCGKSA-N 293.319 0.847 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCC(F)(F)F 67675529 ZGKSRRZDCQDTSH-SFYZADRCSA-N 281.278 0.393 0 50 CCAA COc1cc(C(=O)N2CCn3cncc3C2)ccn1 72158317 LFTJGAMKOGCGIX-UHFFFAOYSA-N 258.281 0.943 0 50 CCAA Cc1nsc(N2CCC[C@@H](n3cc(CO)nn3)C2)n1 328721985 XFKQBSVLPIVLGF-SNVBAGLBSA-N 280.357 0.772 0 50 CCAA Cc1nnnn1CC(=O)N1c2ccccc2C[C@H]1C 123264290 RRUWVBUGIPZUQK-SECBINFHSA-N 257.297 0.959 0 50 CCAA O=C(c1ccc[nH]1)N1CCN(CCn2cncn2)CC1 331885764 VZDULVPQOUEIIH-UHFFFAOYSA-N 274.328 0.064 0 50 CCAA C[C@H]1CN(C[C@H]2CCCN2C(=O)CCCN)C[C@@H](C)O1 237675668 IQAUSBJJLZFRLH-HZSPNIEDSA-N 283.416 0.826 0 50 CCAA C[C@@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)CCN1 336229964 WTGQKUDMVHUNFO-SFYZADRCSA-N 267.354 0.717 0 50 CCAA CC(=O)N1CCC[C@@](O)(C(=O)N2CCC(C)=C(C)C2)C1 285317379 RATXYZVODMBGJS-HNNXBMFYSA-N 280.368 0.929 0 50 CCAA O=C1NCC2(CCN(C(=O)Cc3cnccn3)CC2)O1 223267245 XHJVFWLFIOQTOI-UHFFFAOYSA-N 276.296 0.120 0 50 CCAA Cc1c[nH]c(CN(C)C(=O)Cn2nc(C)c(C)cc2=O)n1 220118423 BXNORBDAIXJNQZ-UHFFFAOYSA-N 289.339 0.550 0 50 CCAA Cc1ccnc(N[C@@H]2CCCN(CCO)C2=O)n1 133191980 JYEBMTWQXGCEIA-SNVBAGLBSA-N 250.302 0.180 0 50 CCAA Cn1cc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c(=O)n(C)c1=O 177418107 UEKMZDXVJILUIA-RKDXNWHRSA-N 263.297 0.069 0 50 CCAA C[C@@H](CN(C)c1cncc(-n2cccn2)n1)C(=O)O 263565003 VGFOYXVKTDBGCD-VIFPVBQESA-N 261.285 0.819 0 50 CCAA Cc1cc(C)n(CCCC(=O)N[C@@H]2COCC[C@H]2O)n1 222471108 SRGBZSSBFGTXEL-CHWSQXEVSA-N 281.356 0.546 0 50 CCAA CC[C@H]1COCCN1C(=O)CCCn1cncn1 82099820 JGMXGVSFKOXJKB-NSHDSACASA-N 252.318 0.696 0 50 CCAA C[C@H](O)c1cc2n(n1)CCCN(C(=O)CN(C)C)C2 220388583 RHERFVQBYVPZFK-JTQLQIEISA-N 266.345 0.230 0 50 CCAA Cc1c(C(=O)NCCc2cnn[nH]2)cnn1-c1ccccn1 426651313 LCCLTMMIMVYXRK-UHFFFAOYSA-N 297.322 0.666 0 50 CCAA Nc1ncnc2c(I)cnn12 238704424 BTGHVDMQZMXGGF-UHFFFAOYSA-N 261.026 0.311 0 50 CCAA CC(=O)N1CCN(C(=O)c2ccc(C)c(O)c2)C[C@@H](O)C1 91616629 CRFUWKHJHFLXFH-ZDUSSCGKSA-N 292.335 0.366 0 50 CCAA CCN1CCN(Cc2nc([C@H]3CCOC3)no2)CC1 96131706 HLAQLAURUBLSIV-NSHDSACASA-N 266.345 0.711 0 50 CCAA CCn1ncnc1CN1C[C@@H](C)O[C@@H](c2nc(C)no2)C1 625912815 JDHGKZOFTIIYLT-MWLCHTKSSA-N 292.343 0.951 0 50 CCAA N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CCCN1CCCCC1=O)C2 534645451 VUULLGKNSMEKIP-VIKVFOODSA-N 293.411 0.975 0 50 CCAA CCc1cc(N2CCN(C(=O)[C@@H]3C=CCN3)CC2)ncn1 534653064 MPIWSXCMZZQPER-ZDUSSCGKSA-N 287.367 0.216 0 50 CCAA Cc1ccc(OCCN)c(C(=O)N2CCOC[C@@H]2CO)c1 299767422 GQBJWFDEEKDNLF-LBPRGKRZSA-N 294.351 0.166 0 50 CCAA C[C@@H](CN1CCOCC1)Nc1cccc(C(=O)N(C)C)n1 821891437 OMVJIOLXCCJCHD-LBPRGKRZSA-N 292.383 0.916 0 50 CCAA COc1nccnc1NC[C@@H]1CC(=O)N(C2CC2)C1 824853288 UNHGEJWNJLWBRC-VIFPVBQESA-N 262.313 0.908 0 50 CCAA CCc1nnc(CN(C)CCn2cnnc2C)o1 823565243 HYAOYSKHUWDDHI-UHFFFAOYSA-N 250.306 0.664 0 50 CCAA Cc1cccc(-n2nc(CC(N)=O)nc2[C@@H]2CCOC2)n1 826842253 OPLLXTAKKNOGGJ-SNVBAGLBSA-N 287.323 0.502 0 50 CCAA COCCn1cnnc1CN(C)C(=O)C[C@H]1CCOC1 584885576 YEAAVGVFVZYNPO-LLVKDONJSA-N 282.344 0.310 0 50 CCAA Nc1nc(C(=O)NCCCN2CCCC[C@@H]2CO)cs1 584891783 DWEJKIQWLIRBLJ-SNVBAGLBSA-N 298.412 0.692 0 50 CCAA CCc1ncc(CN2CC[C@H](CC(=O)NC)C2)cn1 670453655 QZTXDQOBQNPMCR-LLVKDONJSA-N 262.357 0.997 0 50 CCAA O=C(CN1CCC2(CCC(=O)N2)CC1)Nc1cnccn1 670451682 KYAWRKPGPCPUBT-UHFFFAOYSA-N 289.339 0.160 0 50 CCAA C[C@@H](CNC(=O)c1c(F)cncc1F)N1CCOCC1 864233728 LQQHPODAAKEQJG-VIFPVBQESA-N 285.294 0.810 0 50 CCAA CC(C)NC(=O)N1C[C@@H](N)[C@H](c2cn(C)cn2)C1 1551950457 SGGOGEQVZZSBLW-NXEZZACHSA-N 251.334 0.265 0 50 CCAA CC[C@H](NC(=O)c1cc(C)oc1C)[C@@H](O)C(=O)O 1875291951 RBTLOFBGPQRGHC-VHSXEESVSA-N 255.270 0.850 0 50 CCAA N[C@@H]1[C@@H](C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)[C@H]2CCC[C@@H]12 1875305483 SQAYYLUYCUXFCB-GFCMYALRSA-N 291.395 0.487 0 50 CCAA Cc1nc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)co1 1076099439 RRIXWJFTVUNPOE-OLZOCXBDSA-N 275.312 0.920 0 50 CCAA CC1=C(C(=O)N[C@H]2CCCCNC2=O)OCCO1 952965300 CPHIXOBVYOOQBG-VIFPVBQESA-N 254.286 0.050 0 50 CCAA N[C@@H](c1cccc(OC(F)(F)F)c1)C1(O)CNC1 958528350 QDKUYPIWVYHDRE-VIFPVBQESA-N 262.231 0.919 0 50 CCAA CO[C@@H]1CN(CCNC(C)C)C[C@H]1c1cn(C)nn1 886071859 DVMXMDWPGMILHC-WCQYABFASA-N 267.377 0.227 0 50 CCAA O=C(Cc1ccoc1)N[C@@H]1C[C@@H](O)C12CCOCC2 887005864 LEYFTATVUONUHR-VXGBXAGGSA-N 265.309 0.868 0 50 CCAA C[C@H]1CCOCCN1C(=O)c1cccn2nnnc12 897307582 RSHMJUMWGJZGGN-VIFPVBQESA-N 261.285 0.375 0 50 CCAA Nc1cc(O)nc(CCNC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)n1 1565527666 OCKRPBCWSQEIEP-AEJSXWLSSA-N 274.324 0.635 0 50 CCAA COC[C@@H]1[C@H](NC(=O)C(=O)c2cccnc2)[C@H]2CCO[C@@H]12 1565529396 MLNBVZDARHEZLG-HKUMRIAESA-N 290.319 0.430 0 50 CCAA C1CC2(CCN1)CCN(CCN1CCOCC1)C2 84593279 PMFBPUAPSNUWNC-UHFFFAOYSA-N 253.390 0.394 0 50 CCAA CCCc1nc([C@@H]2CN([C@H](C(=O)O)C3CC3)CCO2)n[nH]1 635016959 QANFIBBVYYQPQJ-JQWIXIFHSA-N 294.355 0.994 0 50 CCAA O=C(N[C@H]1CCCc2c[nH]nc21)c1ccc2c(c1)COB2O 584963156 PVXHLZVFHDXEMU-ZDUSSCGKSA-N 297.123 0.435 0 50 CCAA CC(C)(C)OC(=O)N[C@H](Cc1cccnn1)C(=O)O 757170970 VSNOORAUZSHAPA-SECBINFHSA-N 267.285 0.997 0 50 CCAA C[C@H](CC(N)=O)N(C)C(=O)Cc1ccc(CO)cc1 1506418798 VISVFCWDJKXTOK-SNVBAGLBSA-N 264.325 0.444 0 50 CCAA Nc1ccn2ncc(C(=O)N3CCC[C@@H]3CO)c2c1 1615544506 CAHYUEJKAMIYPJ-SNVBAGLBSA-N 260.297 0.513 0 50 CCAA COc1cccnc1CN1CCOC[C@@H](C(=O)O)C1 1775978232 DGCQCUXOLJFXQP-JTQLQIEISA-N 266.297 0.623 0 50 CCAA O=C(O)c1ccnc(-c2cc(C(=O)O)cc[n+]2[O-])c1 1772491463 ACYRQYVJTDIYDE-UHFFFAOYSA-N 260.205 0.778 0 50 CCAA CC(C)OC(=O)[C@@H](C)Nc1n[nH]c(=S)[nH]c1=O 13555547 JFNNXTZEHRQZCT-RXMQYKEDSA-N 258.303 0.579 0 50 CCAA Cc1c(C(=O)N2CC[C@]3(C(=O)O)CCC[C@@H]23)nnn1C 1550382601 SDNMYIJBLSTQFM-NOZJJQNGSA-N 278.312 0.593 0 50 CCAA O=C(Nc1cccnc1)N1C[C@H](O)[C@@H](n2ccnn2)C1 1857532049 LCRYESJQLBAIKP-QWRGUYRKSA-N 274.284 0.123 0 50 CCAA C[C@H](O)C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857738213 XCYITLUVGJQGKW-PMOUVXMZSA-N 290.363 0.698 0 50 CCAA COc1ccc(CN[C@@H]2CC[C@@H](O)[C@H]2O)c(OC)c1C 1857738325 CBTVYOGENNDVDX-BZPMIXESSA-N 281.352 0.986 0 50 CCAA C[C@@](N)(C(=O)N1CCC[C@@H](Cn2cncn2)C1)C1CC1 237666203 YGQJRGWGHLNNIK-RISCZKNCSA-N 277.372 0.644 0 50 CCAA NC(=O)[C@@]1(O)CCN(C(=O)[C@H]2CCCc3ccccc32)C1 240902811 IVMQOWDZXIUNAT-XJKSGUPXSA-N 288.347 0.555 0 50 CCAA CS(=O)(=O)CCN1C[C@H](c2ccncc2)[C@@H](C(=O)O)C1 247539631 RSNXHSJDFGWTPR-NEPJUHHUSA-N 298.364 0.226 0 50 CCAA C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H]1C(=O)O 262093867 HNNGAIMFHFHUFG-MWLCHTKSSA-N 264.281 0.925 0 50 CCAA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(N)=O)CC1 1857779811 NJTWMGWGXACTPK-LLVKDONJSA-N 289.401 0.734 0 50 CCAA O=C(O)CCN1CCN(C(=O)c2ccncc2Cl)CC1 91449200 VHHWWVXDWYHKME-UHFFFAOYSA-N 297.742 0.968 0 50 CCAA Cc1cccc(CCN2CCN(C[C@H](C)O)CC2)n1 575865218 TVXGZOLDDIEGCN-AWEZNQCLSA-N 263.385 0.931 0 50 CCAA CN1C(=O)CC[C@@H](N2C(=O)c3cccc(F)c3C2=O)C1=O 1987970607 RMYTXVCGVFFXSD-SECBINFHSA-N 290.250 0.569 0 50 CCAA CC(=O)NCCOc1c(C)cc(S(N)(=O)=O)cc1C 3000260 MUAKLFZHZMIMHC-UHFFFAOYSA-N 286.353 0.466 0 50 CCAA C[C@@H](CNC(=O)N[C@H](CCO)C(C)(C)C)C(=O)O 594530525 ZJZNEDKRWSNEAE-DTWKUNHWSA-N 260.334 0.803 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)O)CC1 4294533 QWMVFOAJYDWWCW-UHFFFAOYSA-N 287.341 0.214 0 50 CCAA COc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1C 4866483 SUGCPJYLZMIWDS-MRVPVSSYSA-N 273.310 0.755 0 50 CCAA C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@H]1CCN(C)C1=O 246621557 DOKPXZKHYRTPOA-QJPTWQEYSA-N 284.356 0.308 0 50 CCAA COc1cccc(CN2C[C@@H](OC)C[C@H]2CO)n1 344090473 FVDVFISGIKRNMU-RYUDHWBXSA-N 252.314 0.672 0 50 CCAA COCCN(Cc1cnn(C)c1)C[C@H]1CCOC1 55073431 WREZXURZOVIGPR-GFCCVEGCSA-N 253.346 0.905 0 50 CCAA CN1CCN(CCCNC(=O)Cc2ccccc2)CC1 22935220 PRBNHSNRHMXSMP-UHFFFAOYSA-N 275.396 0.983 0 50 CCAA CN1CCc2ccc(NC(=O)N3CC[C@@H](O)C3)cc2C1=O 353440117 OSNQZHJEZQYKOO-GFCCVEGCSA-N 289.335 0.913 0 50 CCAA CCn1ncnc1[C@@H]1CC(=O)NCc2nc(N)sc21 65488222 LOUMSJXBNPYEDN-ZCFIWIBFSA-N 278.341 0.489 0 50 CCAA Cc1ncc2c(c1CNC(=O)[C@@H]1CCOC1)CCNC2 72453756 LKEVTQFRXKBMGD-LLVKDONJSA-N 275.352 0.688 0 50 CCAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)CN(C)C)c1 282344521 DVAQAIBQXIMRGH-OCCSQVGLSA-N 278.352 0.891 0 50 CCAA NCC(=O)N1CCC[C@@H](CN2CCO[C@@H](C3CCC3)C2)C1 333133203 IDUDIIRNGVHKCZ-DZGCQCFKSA-N 295.427 0.685 0 50 CCAA CS(=O)(=O)C1CN(C(=O)C[C@@H]2C=CCCC2)C1 333549704 UJSNEPKBSUKNAB-SNVBAGLBSA-N 257.355 0.988 0 50 CCAA Cc1nccn1CCN(C)C(=O)[C@H]1CC(=O)N(C(C)C)C1 77393305 HJIIZLDVMJYZMJ-ZDUSSCGKSA-N 292.383 0.907 0 50 CCAA Cc1ccc2c(c1)c(CNC(=O)[C@H]1CNCCO1)nn2C 72169979 JZNQZLPLTBQLNM-CQSZACIVSA-N 288.351 0.486 0 50 CCAA O=C1CC[C@@H](Nc2cncc(OCCO)n2)C2(CCC2)N1 374622825 ATDBRZBURSXTRF-SNVBAGLBSA-N 292.339 0.461 0 50 CCAA C[C@H]1OCCN(C(=O)c2cc(C3CC3)no2)[C@@H]1C(N)=O 285292866 IYNFLSZUWFVZPB-HQJQHLMTSA-N 279.296 0.267 0 50 CCAA O=c1[nH]nc([C@H]2CCCN(c3nccn4cnnc34)C2)o1 285516471 GIVSMCZDYWBUGR-QMMMGPOBSA-N 287.283 0.185 0 50 CCAA CCc1ncnc(N2CC[C@@](O)(c3c[nH]nn3)C2)c1F 284661411 WAQAXYWNJYMVQQ-LBPRGKRZSA-N 278.291 0.394 0 50 CCAA O=C(O)CCCC[C@@H]1SC[C@]2(O)NC(=O)N[C@H]12 43198460 QLLAHFUXOLMFNJ-SKWCMTHISA-N 260.315 0.117 0 50 CCAA CCn1nc(C)c(C(=O)N2CC[C@@H](N)[C@H](O)C2)c1C 82139227 PCLXGCVZZMXDMQ-GHMZBOCLSA-N 266.345 0.054 0 50 CCAA CN(C)C[C@H]1CN(C(=O)c2conc2C2CC2)CCO1 290427636 HPSMBDOMQXSNBI-NSHDSACASA-N 279.340 0.955 0 50 CCAA Cc1cc(=O)[nH]c(CCNC(=O)CCCn2cccn2)n1 223099145 OXPGENOONTZKEL-UHFFFAOYSA-N 289.339 0.414 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1CCOC[C@H]1O 223131825 DRPOCYJORLVCSM-TZMCWYRMSA-N 295.383 0.981 0 50 CCAA Cc1c(CNC(=O)NCC[C@H]2CCCN2)cnn1C 426428388 RPLZRSJUAUVPGD-GFCCVEGCSA-N 265.361 0.670 0 50 CCAA C[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CCN1 237690849 JIANXSYYOVRHTH-JTQLQIEISA-N 272.345 0.949 0 50 CCAA COCc1noc(Cn2ncn3cccc3c2=O)n1 95367425 DYYMJKDXZAKCNP-UHFFFAOYSA-N 261.241 0.074 0 50 CCAA C[C@H](CN)CC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 237439078 SKDTVSLJOAEIBG-SMDDNHRTSA-N 280.372 0.479 0 50 CCAA CCc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cn1 95359060 VQMRMBSDAZKRRX-ZDUSSCGKSA-N 298.346 0.865 0 50 CCAA O=C1CC[C@@H](C(=O)NCCCc2ccco2)NC(=O)N1 97805698 BILPUZUESKXVRO-JTQLQIEISA-N 279.296 0.317 0 50 CCAA C=Cc1ccc(N2CCN(C(C)=O)C[C@@H](O)C2)nc1 91595814 UMIHXCYSYIBUQD-CYBMUJFWSA-N 261.325 0.754 0 50 CCAA O=C1N[C@@]2(CCSC2)C(=O)N1CC(F)(F)F 298291930 GPTMDHLGROETIP-SSDOTTSWSA-N 254.233 0.976 0 50 CCAA O=C(NCc1ccco1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 239439339 ZUDXEKSVPTUSMF-DBIOUOCHSA-N 265.265 0.774 0 50 CCAA C[C@@H](OC[C@H]1CCCCO1)C(=O)NC(C)(C)C(=O)O 299750392 NIUCZOYVZPBPQF-NXEZZACHSA-N 273.329 0.940 0 50 CCAA COC[C@H](O)CN(C)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C 239722391 CCPPLUNRWCBKGL-FVCCEPFGSA-N 272.389 0.713 0 50 CCAA Cc1cc(C)n(CCCC(=O)NC[C@@H]2CN(C)CCO2)n1 534643487 BSDSXZBRZIGLHL-CQSZACIVSA-N 294.399 0.727 0 50 CCAA CCCn1ncnc1[C@H](C)NS(=O)(=O)c1cnn(C)c1 534576686 WPRRSUNAFFOJNX-VIFPVBQESA-N 298.372 0.461 0 50 CCAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)C[C@H]1CCCOC1)C2 534656805 QMGKMVUXZNGUCI-NRWUCQMLSA-N 252.358 0.999 0 50 CCAA C[C@H]1CN(CC(=O)NCCCc2ncc[nH]2)C[C@@H](C)O1 299779724 SOZCQDXSFDBHFM-TXEJJXNPSA-N 280.372 0.568 0 50 CCAA COCCn1cnnc1CNC(=O)c1ccc(O)cc1C 299770875 RTFHHWSMAVPDON-UHFFFAOYSA-N 290.323 0.869 0 50 CCAA CCCCS(=O)(=O)N1CCN(C)[C@H](CCO)C1 822880438 QFCMGFRKJTVSAW-LLVKDONJSA-N 264.391 0.115 0 50 CCAA O=C(NC1CCS(=O)(=O)CC1)c1nc2ncccc2[nH]1 828215565 WPOMSZKQHPWVSV-UHFFFAOYSA-N 294.336 0.265 0 50 CCAA COCc1nc(-c2cc(C)nn2C)n(CCCO)n1 824490504 BDURXIQORHPESY-UHFFFAOYSA-N 265.317 0.516 0 50 CCAA C[C@@H](NC(=O)c1ccc(CO)o1)c1nnc(N)s1 584898476 QJYAYAVPEHKGKM-RXMQYKEDSA-N 268.298 0.697 0 50 CCAA NS(=O)(=O)c1ccc(-c2cnc(C(=O)O)nc2)cc1 675070022 OJYLGLYZJLAVMP-UHFFFAOYSA-N 279.277 0.489 0 50 CCAA CCn1nccc1[C@@H](C)NCC(=O)N1CCOCC1 1875285252 HYBXVJIDVOAYGH-LLVKDONJSA-N 266.345 0.412 0 50 CCAA CN(C)C/C=C/C(=O)N(C)Cc1nnc(C2CC2)n1C 1875375844 OYTJLURCOXDRDW-AATRIKPKSA-N 277.372 0.769 0 50 CCAA CC1(CO)CN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 892794207 PCSNBRNGIVJMNX-CQSZACIVSA-N 289.379 0.725 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)CC[C@@H]1CCO1 408521899 AFAQAIKIVYUDMY-NEPJUHHUSA-N 268.357 0.929 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N2C[C@@H](C)[C@H](CO)C2)c1 189175619 LBSOWKZNFXUISC-MNOVXSKESA-N 287.385 0.713 0 50 CCAA COC(=O)C[C@H](NC(C)=O)C(=O)N1CC=CC12CCCC2 585128685 KJVBVYOXBGJCQN-LBPRGKRZSA-N 294.351 0.765 0 50 CCAA CO[C@@](C)(C(=O)O)C(=O)NCc1c(C2CCC2)cnn1C 663134878 IAJXSCQFYYWZLC-CQSZACIVSA-N 295.339 0.794 0 50 CCAA Cn1nc(C(=O)N[C@H]2CCNC23CCC3)cc1O 1354383150 ZBOXYWPLPUQPSJ-VIFPVBQESA-N 250.302 0.140 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2O)n[nH]1 1704302271 GVRIOFDVZZIBKU-BXKDBHETSA-N 275.312 0.117 0 50 CCAA O=C(N[C@H]1CCNC[C@@H]1O)c1ccc(Cl)cn1 212934486 CTGUPCXQVYRXDN-WPRPVWTQSA-N 255.705 0.188 0 50 CCAA CCn1ccc(CC(=O)N2CC[C@H](C(=O)O)C2)n1 652064849 BOWRNYKGACSLPA-VIFPVBQESA-N 251.286 0.379 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CCNCC1(C)C 420460649 LHYACKPNCMRRPK-SNVBAGLBSA-N 286.401 0.395 0 50 CCAA CC(=O)CCC(=O)N1CCN(c2cccnn2)CC1 263701428 NLGLKSPONFWCFK-UHFFFAOYSA-N 262.313 0.494 0 50 CCAA COc1cc(O)ncc1C(=O)N[C@H]1C[C@H](N)C12CCC2 1615554491 LJFMMXUPILMZAW-QWRGUYRKSA-N 277.324 0.796 0 50 CCAA Cc1csc(S(=O)(=O)N2C[C@H](CO)[C@@H](CO)C2)c1 1615698987 UKFIFMHZWMOQAM-NXEZZACHSA-N 291.394 0.278 0 50 CCAA COC(=O)c1ccnc(NC(=O)[C@H]2CCOC2)c1 265223550 NWBOBFIEZCLGNX-VIFPVBQESA-N 250.254 0.843 0 50 CCAA Cc1csc(CN2C[C@H]3CNC[C@]3(CO)C2)n1 1772705876 CAIAKWDJXHCIDO-ZYHUDNBSSA-N 253.371 0.465 0 50 CCAA O=C(NC[C@@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 16648942 UOCGAXREDCGFGD-VIFPVBQESA-N 273.292 0.832 0 50 CCAA O=C(C1CCN(c2cnccn2)CC1)N1CCC[C@@H]1CO 408011837 VMUIDFDSUVRSPE-CYBMUJFWSA-N 290.367 0.676 0 50 CCAA NC(=O)c1cn(C2CN(CC3Cc4ccccc4C3)C2)nn1 581236767 QJZSYTUCDMDUQD-UHFFFAOYSA-N 297.362 0.649 0 50 CCAA NC(=O)[C@H]1Cc2ccccc2N(C(=O)[C@@H]2COCCO2)C1 264865386 PFFVHUKSBBSENG-AAEUAGOBSA-N 290.319 0.093 0 50 CCAA CCC[C@H](NC(=O)c1cccc(C(=O)OC)n1)C(=O)O 592373459 QBWNEPCXQCJJJB-VIFPVBQESA-N 280.280 0.851 0 50 CCAA O=C(NCCN1CCC(O)CC1)c1ccc(F)cc1O 219608466 OUUFTYRINJZHHZ-UHFFFAOYSA-N 282.315 0.718 0 50 CCAA C[C@@H](C(=O)NC(N)=O)N1CCO[C@@H](c2nccs2)C1 222209393 HSJDEQQLSHOHOC-JGVFFNPUSA-N 284.341 0.100 0 50 CCAA Cn1cc(N2CCN(CCOC3CC3)CC2=O)cn1 929801212 ODHDCLQMDPPOLJ-UHFFFAOYSA-N 264.329 0.248 0 50 CCAA O=C1CC[C@H](N2Cc3cc(O)ccc3C2=O)C(=O)N1 95582167 JJUMFQGCQAUIFH-JTQLQIEISA-N 260.249 0.153 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CCNCC(=O)N2)CC1 2325712064 AAYHAFOQSNBNRK-UHFFFAOYSA-N 283.372 0.866 0 50 CCAA O=C(O)CCCNS(=O)(=O)c1ccc(C(=O)O)cc1 2700145 MDXNBESEAZKLMT-UHFFFAOYSA-N 287.293 0.528 0 50 CCAA CNCc1cc(Cl)c(OCC(N)=O)c(OC)c1 4770695 RCEBRKIQTYRVQL-UHFFFAOYSA-N 258.705 0.932 0 50 CCAA Cc1cc(CN2CCN(CCN3CCCC3)CC2)n(C)n1 417678928 DBCGTAJGVQBZIS-UHFFFAOYSA-N 291.443 0.942 0 50 CCAA N#Cc1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 116111968 NYVGCNSACSJVJQ-LLVKDONJSA-N 269.260 0.319 0 50 CCAA O=C(O)[C@@H]1C[C@H](CCCP(=O)(O)O)CCN1 3646234 ABIFUJNCKIMWRZ-SFYZADRCSA-N 251.219 0.397 0 50 CCAA in-vitro C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)C1CCNCC1 428296408 PHTBSPDWFFZVST-LLVKDONJSA-N 281.400 0.892 0 50 CCAA O=C(c1cnn2ncccc12)N1CCOC[C@@]12CCOC2 328618185 UVPGJHZTMCIZBD-AWEZNQCLSA-N 288.307 0.361 0 50 CCAA CSC[C@H](C)C(=O)Nc1ccn([C@@H]2CCNC2)n1 328645382 ZPQRCUZYXFZMCM-VHSXEESVSA-N 268.386 1.355 0 50 CCAA O=C(NCCN1CCCOC1=O)c1cnn2c1CCCC2 72146011 HLJSMBORISMBPT-UHFFFAOYSA-N 292.339 0.792 0 50 CCAA CCN(C(=O)N1CC(S(=O)(=O)CC)C1)C(C)C 331992058 DXHPVBLFKBETQA-UHFFFAOYSA-N 262.375 0.956 0 50 CCAA CCCCN(C)S(=O)(=O)N[C@@H]1CN(CC)C[C@H]1C 257366437 YSHUOSFXQQEVMO-VXGBXAGGSA-N 277.434 0.893 0 50 CCAA O=C(Nc1ccn(Cc2ccccc2)n1)[C@H]1C[C@@H](O)CN1 365089378 IEKXWGWJIBAUTH-CHWSQXEVSA-N 286.335 0.593 0 50 CCAA C[C@@H]1CN(C(=O)CCOc2ccc(C(N)=O)cc2)CCN1 155090726 OSDLPTANENJIPT-LLVKDONJSA-N 291.351 0.375 0 50 CCAA Cn1nc(CC(=O)N2CC[C@@H]3CNC[C@@H]32)c2ccccc21 333268776 KCVQLMLCZHDTQY-ABAIWWIYSA-N 284.363 0.936 0 50 CCAA CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 333874318 VEHXKZBEHWGLJI-QOBXEIRBSA-N 264.325 0.400 0 50 CCAA Cc1ncc(C(=O)N2CCO[C@H](C(F)(F)F)C2)c(=O)[nH]1 71746593 YCALBTLZKZJWFR-QMMMGPOBSA-N 291.229 0.482 0 50 CCAA C[C@H]1CNCCN1S(=O)(=O)c1cn(C)c(Cl)n1 237633539 IOWPICFRSHUITR-ZETCQYMHSA-N 278.765 0.056 0 50 CCAA O=C(Cn1ncc2ccccc21)N1CCOC[C@H](O)C1 77455137 RSKHGIYYCRXAHH-GFCCVEGCSA-N 275.308 0.256 0 50 CCAA O=c1ccc(=O)n(CCn2cnc3sccc3c2=O)[nH]1 32519477 AINKKVQDQKDTFB-UHFFFAOYSA-N 290.304 0.008 0 50 CCAA NC(=O)N1CCC[C@@H](C(=O)N2CC(OC(F)F)C2)C1 335725810 OVIUAHOBFZXDJH-SSDOTTSWSA-N 277.271 0.227 0 50 CCAA C[C@H]1OCCN(Cc2ccc3cn[nH]c3c2)[C@@H]1C(N)=O 284741404 XUUMTLJULHVLHH-RNCFNFMXSA-N 274.324 0.638 0 50 CCAA CCc1nc(CSc2nnc(CNC)n2C)no1 426661286 OVGMUYBGVXCXPW-UHFFFAOYSA-N 268.346 0.772 0 50 CCAA CC(=O)NC(C)(C)C(=O)NC[C@@H](C)Oc1cccnc1 426387079 KNKTXVMZOMEDFG-SNVBAGLBSA-N 279.340 0.880 0 50 CCAA O=S1(=O)CC23CC=CCC2(C1)CS(=O)(=O)C3 45027882 UHNBQOUSLQJZKW-UHFFFAOYSA-N 262.352 0.166 0 50 CCAA Cc1nnc(CCNC(=O)[C@@H](C)N2CCN(C)CC2)s1 426536470 ONEISRDZEIVLME-SNVBAGLBSA-N 297.428 0.141 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)NCCOc1nonc1C 223608859 ILKQGEPVEJUIKC-CBAPKCEASA-N 256.306 0.246 0 50 CCAA C[C@H]1CCC[C@@H](C)N1CC(=O)NCCc1cnn[nH]1 426496961 QOSOSUFOCVUKLB-PHIMTYICSA-N 265.361 0.726 0 50 CCAA C[C@@H]1CN(CNC(=O)[C@H](O)c2ccccc2)C[C@@H](C)O1 96026526 NRXIDDDXFLVSRX-YRGRVCCFSA-N 278.352 0.903 0 50 CCAA CC(C)c1nc(CNC(=O)NC[C@]2(O)CCCNC2)no1 426361146 CFAJHWRNKRRKNS-ZDUSSCGKSA-N 297.359 0.107 0 50 CCAA Cc1cccn(CC(=O)N2CCCO[C@@H](C)C2)c1=O 180150654 WIFNTLZJIFHRGM-LBPRGKRZSA-N 264.325 0.794 0 50 CCAA CCN1C[C@@H](C(=O)NCCn2cccc2)CCC1=O 92062151 VHNBMIHNPCBJFW-LBPRGKRZSA-N 263.341 0.863 0 50 CCAA O[C@]12CCNC[C@H]1CN(CCCn1ccnc1)CC2 91626392 UQPZIXCOPIQHCY-KBPBESRZSA-N 264.373 0.320 0 50 CCAA C[C@H](CS(C)(=O)=O)Nc1ccc(N2CCOCC2)cn1 182870937 PFPAFVQEUVFRPS-LLVKDONJSA-N 299.396 0.763 0 50 CCAA O=S(=O)(Cc1ccc(F)cc1)N[C@H]1CCOC[C@@H]1O 625594611 FWFMCKPNIXTZIA-RYUDHWBXSA-N 289.328 0.395 0 50 CCAA CC[C@@](C)(CC(=O)O)NC(=O)CN1CSCC1=O 299752564 UPCURAAOZKLZMZ-NSHDSACASA-N 274.342 0.279 0 50 CCAA CN1C[C@@H](NC(=O)CN2CCCCCC2)CCC1=O 828007235 XXECOPALVSQDRG-LBPRGKRZSA-N 267.373 0.599 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1cc(C)nc(C)n1 824506829 SIKAWFHGNQJZKU-QWRGUYRKSA-N 251.286 0.237 0 50 CCAA CN(C)C[C@@H]1COCCN(CC(C)(C)N2CCOCC2)C1 823690217 PJCGXFUDNJIOFE-HNNXBMFYSA-N 299.459 0.607 0 50 CCAA CCc1noc(CCNC(=O)Cn2ccccc2=O)n1 584885115 QOKRSNRQDAUHQI-UHFFFAOYSA-N 276.296 0.153 0 50 CCAA CN1C(=O)CC[C@@H](NC(=O)c2cccc(O)c2F)C1=O 1162574744 MTTSQNZLDXKWDJ-MRVPVSSYSA-N 280.255 0.409 0 50 CCAA CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)[nH]n1 952993310 MPFSNZLHCAFPDM-SSDOTTSWSA-N 275.330 0.663 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)NCc1ncc[nH]1 1875267640 GATGRYOQAUNFAF-UHFFFAOYSA-N 264.314 0.882 0 50 CCAA CC[C@@H](NC(=O)c1cc(C)oc1C)[C@@H](O)C(=O)O 1875291949 RBTLOFBGPQRGHC-NXEZZACHSA-N 255.270 0.850 0 50 CCAA NC[C@H]1CC[C@H](C(=O)NCC2CCNCC2)CC1 1875287742 YBDMMEHOBJNDOE-AULYBMBSSA-N 253.390 0.867 0 50 CCAA O=C1CC[C@H](NC(=O)c2cccc3c2COC3)C(=O)N1 1875293253 JCSZDVHKWQDRIQ-NSHDSACASA-N 274.276 0.252 0 50 CCAA CN(CCc1ncccn1)c1nccn2ncnc12 1875306861 DTDSCDRIBSJWQX-UHFFFAOYSA-N 255.285 0.593 0 50 CCAA Nc1ccc2cc(C(=O)N[C@H]3CCC(=O)NC3=O)ccc2c1 1875387059 LXQGJODACZNINA-ZDUSSCGKSA-N 297.314 0.957 0 50 CCAA CCn1ncnc1CNCCN1CCC[C@H](CO)C1 952989193 QWMBTDGXMLOHJF-LBPRGKRZSA-N 267.377 0.092 0 50 CCAA COC[C@@H](NC(=O)Cn1nc(C)cc1N)c1ccnn1C 952972727 QTWJNNCDZDYQFK-SNVBAGLBSA-N 292.343 0.011 0 50 CCAA NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)s1 95495590 ZZTHOMVMPIRNLH-UHFFFAOYSA-N 274.323 0.045 0 50 CCAA in-vitro Cc1ccc(F)c(C(=O)N[C@H]2CNC[C@@H]2O)c1Cl 1565514395 BPHTZBFLRLENJK-IUCAKERBSA-N 272.707 0.850 0 50 CCAA CC(C)n1ccc(=NC(=O)N[C@@H]2CCS(=O)(=O)C2)[nH]1 408401308 CEUGTCMHYCNOAA-SECBINFHSA-N 286.357 0.195 0 50 CCAA C[C@@H]1CCCN(C(=O)COC[C@H]2CCCO2)[C@H]1CN 585086660 UKYBIGGMPDPIMF-UPJWGTAASA-N 270.373 0.768 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1CSCCS1 170625907 ANSSWIDGNQPJAN-RKDXNWHRSA-N 297.467 0.727 0 50 CCAA O=C(NC[C@H](O)[C@@H]1CCCO1)c1cc(C(F)F)[nH]n1 640725949 MBJMBIJZQCRLCT-IUCAKERBSA-N 275.255 0.617 0 50 CCAA C[C@@H]1CNCCN1S(=O)(=O)Cc1cccc(F)c1 193357219 QBPOAFILBZVEPR-SNVBAGLBSA-N 272.345 0.949 0 50 CCAA CS(=O)(=O)C1CN(c2cnc3ccccc3n2)C1 669825803 WVDCEKPJPOJILW-UHFFFAOYSA-N 263.322 0.863 0 50 CCAA O=C(N[C@H]1CCCNC1=O)c1cc(O)nc(C2CC2)n1 584729622 JRUKWCHCOHQMIG-QMMMGPOBSA-N 276.296 0.068 0 50 CCAA O=C1NCCC[C@H]1N1CC[C@@](O)(c2ccc(F)cc2)C1 777733864 KRVPPEHKROOQQJ-HIFRSBDPSA-N 278.327 0.998 0 50 CCAA CN(Cc1ncc[nH]1)C(=O)CSc1nncn1C 1506405011 HGAJRYIPKOWZSM-UHFFFAOYSA-N 266.330 0.289 0 50 CCAA COCCc1noc(CN(C)Cc2cc(O)nc(O)n2)n1 1529172856 JNUSCWCIZKTBCY-UHFFFAOYSA-N 295.299 0.092 0 50 CCAA O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[C@@H](CO)[C@@H](O)C1 216881496 CVHMTMXSTZSKQK-XPUUQOCRSA-N 293.245 0.244 0 50 CCAA COc1nc(NCCCn2ccnn2)ncc1F 1704327376 CCWSAGBCQDVHDG-UHFFFAOYSA-N 252.253 0.718 0 50 CCAA COc1nc(N(C)C[C@H](C)N2CCOCC2)ncc1F 1704311073 WSWFVEPFRIUITL-JTQLQIEISA-N 284.335 0.781 0 50 CCAA CN[C@H]1CCCN(C(=O)Cn2cc(C3CC3)nn2)C1 151052373 RYRYGDPIJCJKBT-NSHDSACASA-N 263.345 0.366 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)CCN1CCCCC1 1615691523 NKFBELQHRYQWGX-STQMWFEESA-N 279.384 0.799 0 50 CCAA COc1ncccc1CN1CC[C@]2(CNC(=O)CO2)C1 1772807206 RGFZASSLOQYPHH-AWEZNQCLSA-N 277.324 0.181 0 50 CCAA O=C(CCn1ccccc1=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 1857693602 DKZQMCRYKKNLCL-KPWCQOOUSA-N 287.363 0.447 0 50 CCAA CO[C@@H]1CC[C@H](C(=O)NCc2cccnc2)C[C@H]1N 1857718659 ZNHCGQYLYXJALF-YNEHKIRRSA-N 263.341 0.840 0 50 CCAA O=C([C@@H]1CCc2ncnn2C1)N1CC(c2ccncc2)C1 1875245291 TVIABXANCTZCCI-GFCCVEGCSA-N 283.335 0.862 0 50 CCAA Cc1noc([C@@H]2CCN(C(=O)N=c3cc(C)n(C)[nH]3)C2)n1 328984743 SZIVOSGKIWCKBE-SNVBAGLBSA-N 290.327 0.863 0 50 CCAA Cc1cc(C)c(C(=O)Nc2ccn(CCC(N)=O)n2)[nH]1 125770330 NLOQBMQNIVKUBZ-UHFFFAOYSA-N 275.312 0.956 0 50 CCAA CN1C(=O)COc2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)O)cc21 262354269 BZNKDQSRTMILMI-BDAKNGLRSA-N 290.275 0.701 0 50 CCAA Cc1c[nH]cc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 496722445 RVPUGIRQPFQGQD-SNVBAGLBSA-N 297.355 0.939 0 50 CCAA O=C(c1cccc2nc(CO)[nH]c12)N1C[C@H]2COC[C@H]2C1 913790333 QZMXQVLOFRXBMX-AOOOYVTPSA-N 287.319 0.774 0 50 CCAA Cc1cnc(CN2CCCC[C@H]2CS(N)(=O)=O)cn1 931228385 GZOZWSJXRDRWLA-LBPRGKRZSA-N 284.385 0.428 0 50 CCAA Cc1ccc(CCNC(=O)Nc2nnn(C)n2)o1 932278315 NYRGJGKYPVNUMD-UHFFFAOYSA-N 250.262 0.476 0 50 CCAA O=C(CCNS(=O)(=O)c1ccccc1)N1CCOCC1 4832773 PDCOWVOBZWQDQY-UHFFFAOYSA-N 298.364 0.214 0 50 CCAA C[C@@H]1CNCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 125214859 PTQMUNLVHZBCSW-RKDXNWHRSA-N 293.289 0.218 0 50 CCAA CCOC[C@H]1CCCN(C(=O)[C@H]2COCCN2)C1 236978782 ZJTVAZOFGXWSHG-NWDGAFQWSA-N 256.346 0.250 0 50 CCAA Cn1nncc1CN1CCc2ccccc2[C@@H]1C(=O)O 394946876 JVIWCNRBXAMLKG-CYBMUJFWSA-N 272.308 0.999 0 50 CCAA C[C@H]1C[C@@H]2CN(c3ccnc4c3CNC4=O)CCN2C1 2325891352 BBWQREMEKZSVER-WDEREUQCSA-N 272.352 0.855 0 50 CCAA COc1ccc(S(=O)(=O)NCCC(=O)O)cc1 215964 KBHUTIQWIYFYFA-UHFFFAOYSA-N 259.283 0.448 0 50 CCAA CCSCC(=O)NC[C@@H](O)c1cccc(O)n1 2356162041 VCCYJBHZBBMWOH-SECBINFHSA-N 256.327 0.690 0 50 CCAA O=C1C[C@H](Sc2ncccc2C(=O)O)C(=O)N1 3881066 ZQEHVTSYKKEULQ-LURJTMIESA-N 252.251 0.287 0 50 CCAA C[C@H](O)CN(CC(=O)N[C@H](C)c1ccco1)[C@H](C)CO 225405534 FDUULUGABCXUBQ-GRYCIOLGSA-N 284.356 0.520 0 50 CCAA COC[C@@H]1CCN(C(=O)c2ccc(C)[nH]c2=O)C1 20271889 KLVFZTZRQQYLAN-SNVBAGLBSA-N 250.298 0.792 0 50 CCAA CNS(=O)(=O)CCNC1CCC2(CCNCC2)CC1 67954534 KMTDOGVTHINZOM-UHFFFAOYSA-N 289.445 0.438 0 50 CCAA Cc1ccn2ncc(C(=O)N3CCNC[C@@H]3C)c2n1 126153358 OILGIGCGURKGFM-JTQLQIEISA-N 259.313 0.472 0 50 CCAA Cc1ccc2nc(CNC(=O)c3c[nH]c(=O)cn3)[nH]c2c1 67804540 QKTZVLHDIKSIHU-UHFFFAOYSA-N 283.291 0.885 0 50 CCAA CS(=O)(=O)NC(=O)c1cc2c([nH]c1=O)CCCCC2 121471222 UPVZKUJOIHZSDR-UHFFFAOYSA-N 284.337 0.333 0 50 CCAA CCN(C(=O)C1CCN(C(C)C)CC1)[C@H]1COC[C@@H]1O 65384265 OEDUVQXPKVTSLD-KBPBESRZSA-N 284.400 0.715 0 50 CCAA COCc1nc2n(n1)CCC[C@@H]2N[C@@H]1C[C@H](C)N(C)C1 252477293 LNQJVUPBNCJHBC-TUAOUCFPSA-N 279.388 0.942 0 50 CCAA CNc1nc(CN2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)cs1 72157603 LJANGZNAHRIJCA-QCMRWSPLSA-N 283.397 0.748 0 50 CCAA CC(C)n1ncnc1CN1CCS(=O)(=O)CC[C@@H]1C 434491876 DQNCPMZIUFPWBF-NSHDSACASA-N 286.401 0.868 0 50 CCAA C/C=C/C[C@@H](CO)NC(=O)[C@@H]1CCc2cnn(C)c2C1 282407700 QRBGOFBKNUKUSO-WTQORWENSA-N 277.368 0.968 0 50 CCAA OC1(CN2CCC[C@@H](CN3CCOCC3)C2)CCOCC1 124827182 NJTZLPUFLBVGAM-HNNXBMFYSA-N 298.427 0.572 0 50 CCAA CCn1cc(NC(=O)[C@H]2CCCO2)c(C(N)=O)n1 331156055 DKBCPQAKAMYHQX-MRVPVSSYSA-N 252.274 0.119 0 50 CCAA NC(=O)c1csc(C(=O)N2CCC[C@@H]2C(=O)O)c1 237739965 FCWLWFTYCCTVFW-SSDOTTSWSA-N 268.294 0.536 0 50 CCAA CCOC(=O)c1cnc(N2CCC(CO)CC2)nc1 71261625 NPJBMYLMWPCRIY-UHFFFAOYSA-N 265.313 0.862 0 50 CCAA CCCS(=O)(=O)NC(=O)/C=C/c1ccncn1 158946665 NJSQOERCOSEHAI-ONEGZZNKSA-N 255.299 0.346 0 50 CCAA O=C(c1n[nH]c2ccccc12)N1CCN([C@@H]2CCNC2)CC1 262458881 IKALIMIAGMDIOP-GFCCVEGCSA-N 299.378 0.683 0 50 CCAA C[C@@]1(O)CCCN(c2ncnc3c2NC(=O)CS3)C1 375720317 QVCUGQBZTUSIBW-GFCCVEGCSA-N 280.353 0.872 0 50 CCAA C[C@H](O)C(=O)N1CCN(c2ccccc2Cl)C(=O)C1 85532984 METGMJCWBAUUKO-VIFPVBQESA-N 282.727 0.896 0 50 CCAA COc1cccc(CN2CCN(C(=O)[C@@H](C)O)CC2)n1 179544959 MIQQJPMWLZZWLD-LLVKDONJSA-N 279.340 0.115 0 50 CCAA CC[C@H](C(=O)NCCCN1CCOCC1)n1cccn1 92002255 OLIVTEMVDCIIEN-CYBMUJFWSA-N 280.372 0.673 0 50 CCAA CN(C)c1cccc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)c1 96153680 HLVJKYWMGFPACJ-DZGCQCFKSA-N 278.352 0.710 0 50 CCAA Cc1ncn(CCNC(=O)c2cn(C)c(C)cc2=O)c1C 426661375 RQDGZKFPPRKMHG-UHFFFAOYSA-N 288.351 0.937 0 50 CCAA CCN1CC[C@@]2(CCC1=O)CN(CC(=O)O)CCN2C 95390784 CRPNKDFMVKROEB-AWEZNQCLSA-N 283.372 0.090 0 50 CCAA Cn1cc(CN(C(=O)CN2CCCC2=O)C2CC2)cn1 95525931 YSDGPWGHTWMGEO-UHFFFAOYSA-N 276.340 0.534 0 50 CCAA Cc1cc(C)n(CCC(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)n1 252485260 GPUDFPLUAMZIEU-CHWSQXEVSA-N 290.367 0.826 0 50 CCAA C[C@H](O)[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O 253383154 KMZBGEVCOYIAFI-AQUOVQTQSA-N 287.319 0.074 0 50 CCAA CC(C)(C)SCCNC(=O)NCc1nn[nH]n1 534662172 QDIOXJXQFPFTKT-UHFFFAOYSA-N 258.351 0.531 0 50 CCAA O=C(O)[C@H]1COCCN(C(=O)CCc2ccncc2)C1 700396249 JYUHVOUXTBLMPM-GFCCVEGCSA-N 278.308 0.574 0 50 CCAA N[C@@H]1CCN(C(=O)C2CCN(C3CCOCC3)CC2)C1 534653247 JRMGPMFEBVVEDF-CYBMUJFWSA-N 281.400 0.437 0 50 CCAA O=C(CCn1cncn1)NCCCn1cc(Cl)cn1 299785568 MFDROZDODDCUQG-UHFFFAOYSA-N 282.735 0.725 0 50 CCAA COCCN1CC[C@@H](CNC(=O)c2ccc(O)cn2)C1 299777184 PGJNYUCOEYSKDZ-NSHDSACASA-N 279.340 0.485 0 50 CCAA Cc1nc(C)c(C)c(NC[C@H]2CN(C)C(=O)CO2)n1 825269921 YPIUHZWUNWWBOE-NSHDSACASA-N 264.329 0.671 0 50 CCAA O=C1NC(=O)[C@H](Cc2ncnn2-c2cccc3c2CCC3)N1 828297424 DIFQVWZTJDTBTE-NSHDSACASA-N 297.318 0.507 0 50 CCAA O=C1C[C@@H](C(=O)NCCc2cn[nH]c2)C2(CCCC2)O1 828244594 XKDJRKVOWUOSHH-NSHDSACASA-N 277.324 0.944 0 50 CCAA CN(CCN(C)C1CCCC1)C(=O)CCn1cnnn1 584889851 DPRUISFGESWVLQ-UHFFFAOYSA-N 280.376 0.396 0 50 CCAA O=C(c1ccccc1O)N1CC[C@@H](Cc2nn[nH]n2)C1 1875286146 MOBROPZXVBLRHE-VIFPVBQESA-N 273.296 0.610 0 50 CCAA C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@@H]1CN 1875276756 YGIJCUWLTUBSQT-WUHRBBMRSA-N 276.384 0.967 0 50 CCAA O=C1CCCC[C@@H](C(=O)OC[C@H]2COC(=O)O2)N1 1875264185 RGZYKINFBJAIBH-YUMQZZPRSA-N 257.242 0.124 0 50 CCAA O=C(CCc1nc[nH]n1)NCc1ccccc1C(=O)O 1875333116 BJMAFCLWURRSOB-UHFFFAOYSA-N 274.280 0.752 0 50 CCAA O=C(O)[C@@H]1CC[C@H]1S(=O)(=O)N[C@H]1CC=CCC1 1875362776 SDHBOLCTEWPMAE-IVZWLZJFSA-N 259.327 0.878 0 50 CCAA CON1CCC(CC(=O)N2CCN[C@H](C)[C@H]2C)CC1 888096362 CRBRKFSKGZDIQQ-VXGBXAGGSA-N 269.389 0.859 0 50 CCAA CN1C[C@H](C(=O)Nc2ccc(F)c(O)c2)CC1=O 1178523014 LDVIINWRXAMJOD-SSDOTTSWSA-N 252.245 0.948 0 50 CCAA COC(=O)[C@H](C)CS(=O)(=O)N1CCN(C)[C@H](C)[C@@H]1C 408079662 AJAVODKSBHSCKN-MXWKQRLJSA-N 292.401 0.150 0 50 CCAA c1nc(N2CCOCC2)cc(N2CC[C@]3(CCOC3)C2)n1 170614720 JMRVWFUHFHEKQZ-HNNXBMFYSA-N 290.367 0.930 0 50 CCAA CSC[C@@H](C)C(=O)N1CCN(CC(F)(F)CO)CC1 585130070 GSQDDQOWBHNKBH-SNVBAGLBSA-N 296.383 0.757 0 50 CCAA CCOc1ccc(NC(=O)N2CCO[C@H](CN)C2)nc1C 659053684 SJPBEMAFSSPBRN-LLVKDONJSA-N 294.355 0.980 0 50 CCAA CCOCC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1506398210 IQXXLJPWUSWYNZ-NSHDSACASA-N 297.355 0.250 0 50 CCAA CN(CCCCC(=O)O)C[C@@H]1CCCN(CCO)C1 1529133851 KYAGIJOQDGBNNH-ZDUSSCGKSA-N 272.389 0.877 0 50 CCAA CO[C@@H](C)c1nnc(NC(=O)CCS(C)(=O)=O)s1 1529180678 HZBMCTBOCSSNQR-LURJTMIESA-N 293.370 0.619 0 50 CCAA Cc1nsnc1C(=O)N1CCC2(CC1)COC(=O)O2 1800413973 KEFLCOQBFSTBGQ-UHFFFAOYSA-N 283.309 0.988 0 50 CCAA CO[C@H](C(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O)C1CC1 408462741 AHLHLQYQYASRSN-IEBDPFPHSA-N 254.330 0.524 0 50 CCAA COCCOC[C@H]1CCN(C(=O)[C@](C)(O)C2CC2)C1 240412670 FNQVTLWPBPJPNB-SMDDNHRTSA-N 271.357 0.659 0 50 CCAA CO[C@@H]1CCNC[C@@H]1NC(=O)c1ccc(F)cc1O 1772703591 MTMWRQKPDCJHEJ-CMPLNLGQSA-N 268.288 0.638 0 50 CCAA CN1CC[C@@H]2CN(C(=O)c3cn4cccnc4n3)C[C@@H]2C1=O 1772819600 PRXDACNEIWQSIK-MNOVXSKESA-N 299.334 0.280 0 50 CCAA CCCCn1c(=O)c2c(nc3n(C)c(C)cn23)n(C)c1=O 5076445 SOYGFRJXEWWUGG-UHFFFAOYSA-N 289.339 0.795 0 50 CCAA COCCN1CCC[C@](O)(CNC2CCCC2)C1=O 12576488 MLICMYNMNVXODG-AWEZNQCLSA-N 270.373 0.519 0 50 CCAA COc1ccc(C(=O)NCC(=O)O)c(OC)c1OC 15108722 WIGPKROUXMWBRT-UHFFFAOYSA-N 269.253 0.527 0 50 CCAA CN=c1[nH]c(C(=O)N2CCO[C@H]3C[C@H](CO)C[C@@H]32)cs1 1857716061 UZNOOKFJUHQYHP-MIMYLULJSA-N 297.380 0.219 0 50 CCAA O=C(CN1CC[C@H](CO)[C@H](O)C1)N1CCc2ccccc21 573423960 BBZXBAAMMIRVQQ-UKRRQHHQSA-N 290.363 0.251 0 50 CCAA CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCc2c(O)cccc21 900699523 LWXRCHAGEWPLFY-HICWGWBUSA-N 290.363 0.951 0 50 CCAA CCC(CC)(CC(=O)O)NC(=O)c1cn(C)nn1 909377106 KOKNIWSWCASPPR-UHFFFAOYSA-N 254.290 0.578 0 50 CCAA O=C1CC2(CCN(CC[C@@H]3COCCO3)CC2)CN1 1775978876 XCCPJRRPMZQXKE-GFCCVEGCSA-N 268.357 0.394 0 50 CCAA COc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1C 4853340 AFJBJKLGBTWGME-MRVPVSSYSA-N 272.326 0.156 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)NCCCCCC(=O)O 236815883 PIKMXTHOEXKEJW-NSHDSACASA-N 270.329 0.759 0 50 CCAA COC1(C(=O)N2C[C@@H](O)C3(CC3)C2)CCOCC1 376050336 LWWHUFDKUIDFSD-SNVBAGLBSA-N 255.314 0.165 0 50 CCAA CC[C@@H](CNC(=O)N1CC(O)(C2CC2)C1)C(=O)O 395166807 DBSLDFWKKCXLPZ-QMMMGPOBSA-N 256.302 0.264 0 50 CCAA CO[C@H](C)CCC(=O)N=c1nc[nH]n1-c1ncccn1 2325786967 OHGCGBQBGLCVJS-SECBINFHSA-N 276.300 0.233 0 50 CCAA O=C(Nc1ccnn1CC1CC1)N[C@@H]1COCC[C@H]1O 879276931 LKMFPQZCJPGYGI-GHMZBOCLSA-N 280.328 0.564 0 50 CCAA O=C1CCCN1c1ccc(S(=O)(=O)CO)cc1 162005 QVPFJAJCCKCOSP-UHFFFAOYSA-N 255.295 0.537 0 50 CCAA CCn1cnc(NC(=O)CCn2ccccc2=O)n1 2356135315 YVFXGAQIFIIGNI-UHFFFAOYSA-N 261.285 0.489 0 50 CCAA NC(=O)C1CCN(C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1 100065616 FCAWNOASBGEFJM-YFKTTZPYSA-N 292.335 0.233 0 50 CCAA COC[C@H](C)S(=O)(=O)NC(=O)c1cscn1 113699448 CQFCFUUMXPPMIK-LURJTMIESA-N 264.328 0.238 0 50 CCAA Cc1nc(C)c(C(=O)NCCSc2nnnn2C)s1 20599170 LPFWCFOSWDPDEQ-UHFFFAOYSA-N 298.397 0.806 0 50 CCAA COC[C@H]1CN(C(=O)C2(C(C)=O)CC2)C[C@H](C)O1 331420808 QIHOOWMHDXPMCJ-GXSJLCMTSA-N 255.314 0.618 0 50 CCAA CCOC(=O)c1nc2n(c1Br)CCNC2 30678289 JWCFJOJJHYFXSL-UHFFFAOYSA-N 274.118 0.926 0 50 CCAA CC[C@@H]1[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H]2CCO[C@@H]21 219619725 NGCLKNPRQPXEOO-HZZFPTLFSA-N 292.335 0.927 0 50 CCAA OC[C@]12CCCN[C@@H]1CCN(CCn1cc(Cl)cn1)C2 72173714 JPYSOZLMCZAABE-ZIAGYGMSSA-N 298.818 0.973 0 50 CCAA Cn1ccnc1-c1nc2ccccc2n(CC(=O)O)c1=O 34863247 IJDBIGYYIDVADZ-UHFFFAOYSA-N 284.275 0.882 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)C1(C(N)=O)CC1 216471900 YVFBZXAXCDSFRJ-VIFPVBQESA-N 264.329 0.811 0 50 CCAA CCOC(=O)[C@H]1CC[C@@H](Nc2ccc(C(N)=O)nn2)C1 253429959 WQOAVMNGJRSGRB-DTWKUNHWSA-N 278.312 0.719 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)NCCn1cnc2ccccc21 262373985 WKFBSHBTIXNHDU-RISCZKNCSA-N 288.351 0.529 0 50 CCAA CCc1ncc(NC(=O)[C@@H]2CN(CC)CCO2)cn1 127086486 WOWMJEZINLCNBV-NSHDSACASA-N 264.329 0.698 0 50 CCAA COc1coc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1=O 333310220 NWZBCHRVGOMZIL-AQZXDCIVSA-N 277.320 0.850 0 50 CCAA COCCN1CC[C@@H](CNC(=O)c2cnc(N)nc2C)C1 215751134 KMLZHOXVLRJZIZ-NSHDSACASA-N 293.371 0.065 0 50 CCAA C[C@@H]1C[C@@H](N)CCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 237482945 YSLSNWUYAIQALY-MXWKQRLJSA-N 291.355 0.101 0 50 CCAA Cc1nnc(CCNC(=O)Cn2nccc2C)s1 219538704 LZSFGTSIRQZONN-UHFFFAOYSA-N 265.342 0.710 0 50 CCAA COC(=O)c1c(C)[nH]c(C(=O)Cn2cncn2)c1C 131875072 YJDDXUFZELTCMZ-UHFFFAOYSA-N 262.269 0.893 0 50 CCAA CCn1cc(CCN2C[C@@H](OC)C[C@H]2C(N)=O)cn1 286001760 GKEDMUROPIBMJK-RYUDHWBXSA-N 266.345 0.020 0 50 CCAA O=C(C(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1)c1ccccc1 222531486 PHRYULPBAUHFSU-KBPBESRZSA-N 288.347 0.537 0 50 CCAA Cn1cnnc1CSc1nnc([C@@H]2CCCNC2)n1C 426593850 SLMXDGDOYZTGHE-SECBINFHSA-N 293.400 0.703 0 50 CCAA Nc1cc(O)nc(CCNC(=O)c2cc(C3CC3)[nH]n2)n1 426544879 PBSKPAHJNLTEHF-UHFFFAOYSA-N 288.311 0.337 0 50 CCAA Cc1nn2cc(CNC(=O)CN3CCOC3=O)nc2s1 222414941 ZHTCPVSAPWGYMI-UHFFFAOYSA-N 295.324 0.168 0 50 CCAA CS(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 222702692 UVZDULLMQHHKQO-NXEZZACHSA-N 292.382 0.366 0 50 CCAA CCN(C(=O)c1cc(C)c(C)[nH]c1=O)[C@H]1COC[C@@H]1O 91664772 DJYYJOZPFHSFPA-RYUDHWBXSA-N 280.324 0.214 0 50 CCAA Nc1nc(-c2ccccc2)nc2[nH]c(=O)c(=O)[nH]c12 231484748 KOOXLVZWSAEAEP-UHFFFAOYSA-N 255.237 0.256 0 50 CCAA O=C(Cn1cccnc1=O)N1CCC[C@]2(CCCO2)CC1 97766783 NHPONHGFLVZZSA-HNNXBMFYSA-N 291.351 0.805 0 50 CCAA O=C(O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 521398709 MFOJSXRKNQFBTO-VXNVDRBHSA-N 250.172 0.882 0 50 CCAA Cc1nc(CC(C)C)cc(C(=O)NC[C@@]2(O)CCNC2)n1 244873047 WJFMMYQJQZNBBH-OAHLLOKOSA-N 292.383 0.438 0 50 CCAA Cc1nscc1C(=O)NCC1CCN(CCO)CC1 182212989 GDKWYYLLZGYRNP-UHFFFAOYSA-N 283.397 0.886 0 50 CCAA O=C(CCCN1CCCC1=O)NC1(CO)CCCC1 828686795 WVJPPJBUCIZVBG-UHFFFAOYSA-N 268.357 0.810 0 50 CCAA Cc1nc([C@@H]2CC(=O)N(C)C2(C)C)n(CCO)n1 828776691 JDPCTDVENYVZBJ-VIFPVBQESA-N 252.318 0.303 0 50 CCAA CN(C)C(=O)NCC(=O)N(C)Cc1cccc(O)c1 584892891 BXMQBMLHEIKZJZ-UHFFFAOYSA-N 265.313 0.622 0 50 CCAA CC/C=C/CC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 584890935 RCMZYDLOXHCFSF-XYBNDFSHSA-N 250.298 0.416 0 50 CCAA CC(C)(CN1CCOCC1)CN1CC[C@H](CO)C1 670437353 OOVHHPJASRNGSA-ZDUSSCGKSA-N 256.390 0.659 0 50 CCAA CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CC1 685945225 LCTCSEULZXTZKK-OLZOCXBDSA-N 276.340 0.214 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)Nc2cnccn2)C1=O 1552097880 AYDYELXNLQFTEN-SNVBAGLBSA-N 278.312 0.443 0 50 CCAA CC[C@](C)(O)[C@@H](O)C(=O)NCCc1cccc(OC)c1 1875335605 XSDVRRKOTNOVHU-ZFWWWQNUSA-N 281.352 0.876 0 50 CCAA CC(=O)[C@@H]1CCN(C(=O)c2ccc(CC(N)=O)cc2)C1 1875317195 RBMCXJBHLVSXNA-CYBMUJFWSA-N 274.320 0.766 0 50 CCAA O=C(CC[C@@H]1CC1(F)F)N=c1nc[nH]n1-c1ncccn1 1875303075 UDDQRHVTMUBFNK-MRVPVSSYSA-N 294.265 0.853 0 50 CCAA O=C([C@@H]1NCc2ncncc21)N1CCC(F)CC1 1775962523 QHNVFKANCLFTRE-LLVKDONJSA-N 250.277 0.581 0 50 CCAA Cc1cccnc1Cn1nnc(C(C)(C)S(C)(=O)=O)n1 1774947675 LFZBZLYCOJBXNZ-UHFFFAOYSA-N 295.368 0.705 0 50 CCAA Cc1ccc2c(=O)n([C@H]3CNC[C@@H]3O)cnc2c1C 1565531367 AJVWNWFPXZTJDH-RYUDHWBXSA-N 259.309 0.519 0 50 CCAA CCC[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1C(=O)O 1565526160 OSCQLXCIYVRYTD-QWRGUYRKSA-N 265.313 0.842 0 50 CCAA Cn1nccc1S(=O)(=O)NC(=O)C1CCCC1 408477672 OQAKYBWGFJHGRL-UHFFFAOYSA-N 257.315 0.415 0 50 CCAA COc1ccc(O)cc1C(=O)N1CCCNC(=O)[C@H]1C 188077710 WUMKYVLYRVNLPE-SECBINFHSA-N 278.308 0.751 0 50 CCAA CCc1c(C(=O)N2CCC[C@]2(COC)C(N)=O)ccn1C 643938418 OZPQDIAYMUHNFH-HNNXBMFYSA-N 293.367 0.694 0 50 CCAA CCn1ccc(C(=O)NC[C@H](C2CC2)N(C)C)n1 574205919 RVEUJKCQNHZETQ-GFCCVEGCSA-N 250.346 0.973 0 50 CCAA O=C(NC[C@H]1Cc2ccccc2CN1)c1cc[nH]n1 721052212 DIYJWGQWLKTLQC-GFCCVEGCSA-N 256.309 0.854 0 50 CCAA Cc1cnc(CN2CCC[C@@](O)(c3cnn[nH]3)C2)o1 794044573 SCTQVUFBFSNRGM-LBPRGKRZSA-N 263.301 0.585 0 50 CCAA COC[C@@H](O)CN(C)C(=O)c1cc(C(C)C)nc(N)n1 1506402560 JTCPTNOUESQBBE-VIFPVBQESA-N 282.344 0.262 0 50 CCAA CCc1cc(N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)nc(C)n1 1704314845 WEVJBOXBIPZPEL-OKILXGFUSA-N 291.307 0.713 0 50 CCAA CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C(=O)O 4534347 CMSBRKBRYYDCFQ-QMMMGPOBSA-N 272.301 0.587 0 50 CCAA in-vitro Cc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1 19606495 GJAGYOKCNZTDQN-UHFFFAOYSA-N 284.381 0.294 0 50 CCAA in-vitro Cc1nnsc1C(=O)N[C@H]1CCN(CC(F)F)C1 1615546887 FDSZTYCSXNZOBI-ZETCQYMHSA-N 276.312 0.916 0 50 CCAA O=C(c1ccon1)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616079568 XMCUMPYQHXWLRS-GWCFXTLKSA-N 273.292 0.745 0 50 CCAA Cc1cc(N2C[C@H](O)[C@@H](F)C2)nc(N2CCCC2)n1 1616129511 YNPBCTBZSXINGU-QWRGUYRKSA-N 266.320 0.904 0 50 CCAA Cc1nonc1C(=O)NCc1cccn2nccc12 1772811976 CYZVQUNSJSSBFY-UHFFFAOYSA-N 257.253 0.956 0 50 CCAA COCCCNC(=O)CCNC(=O)c1cccc(OC)c1 16650989 INAVBGJBBJPMFV-UHFFFAOYSA-N 294.351 0.968 0 50 CCAA CCn1cc(CN2CCN(C)[C@@H](CCO)C2)cn1 19226712 AIBSTRZVEYPNFS-ZDUSSCGKSA-N 252.362 0.401 0 50 CCAA CCCc1nnc(NC(=O)CN2CCN(C)CC2)s1 19525828 SWUJSZGMUWPTHN-UHFFFAOYSA-N 283.401 0.677 0 50 CCAA CS(=O)(=O)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccccc1 1857681154 ADXUOVJXGWAQAU-STQMWFEESA-N 294.376 0.821 0 50 CCAA Cn1cc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)cn1 659199926 IEASEVVBLDDRES-UHFFFAOYSA-N 277.284 0.689 0 50 CCAA Cc1ncc(S(=O)(=O)NC[C@]2(O)CCO[C@@H]2C)s1 228077604 IZLIJBOHQITSHB-GMSGAONNSA-N 292.382 0.270 0 50 CCAA C[C@@H]1Oc2ccc(Cl)cc2N(C[C@H](O)CO)C1=O 4213022 YIAHFLWLLVEPPS-CBAPKCEASA-N 271.700 0.807 0 50 CCAA in-man COCCN1CCN([C@H](C)C(=O)N2CCCC2)C[C@H]1C 252474518 GYTGFTDAFIYKHN-ZIAGYGMSSA-N 283.416 0.650 0 50 CCAA CNc1nc(C)cc(C(=O)N(C)c2cnn(C)c2)n1 281070466 SVILDWKFNHOXTB-UHFFFAOYSA-N 260.301 0.837 0 50 CCAA CN1CCN(C(=O)C[C@@H]2CCCNCC2)C(C)(C)C1=O 299749229 JNBSPLSOMGCLPW-GFCCVEGCSA-N 281.400 0.845 0 50 CCAA CC[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1O 400291180 NYCUKXLXIGBACU-NXEZZACHSA-N 256.346 0.378 0 50 CCAA O=C1C[C@@H](C(=O)NCCCOC2CCCC2)CN1 195375942 YOHUOISRBVEUJS-SNVBAGLBSA-N 254.330 0.588 0 50 CCAA CO[C@H](C)C(=O)NCc1ccc(CC(=O)O)cc1 630233156 QTIPTSFFPOJCRV-SECBINFHSA-N 251.282 0.965 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)NCc1nccc(C(F)(F)F)n1 634842000 DFPWNNMBAYIQAO-PHDIDXHHSA-N 289.213 0.832 0 50 CCAA O[C@H](CN1CCOCC1)CN1CCC2(CCOCC2)C1 363573432 RRVGPLQMGJSYHN-CQSZACIVSA-N 284.400 0.182 0 50 CCAA C[C@@H](N)c1ccc(NC(=O)c2cn(C)c(=O)n2C)cc1 722010965 WYDGKOCNPFJMFB-SECBINFHSA-N 274.324 0.996 0 50 CCAA COCC[C@@H]1CN(CCCS(=O)(=O)N(C)C)CCO1 824384097 DOOBLNKZBFIDGK-GFCCVEGCSA-N 294.417 0.005 0 50 CCAA O=S1(=O)C[C@@H](O)[C@H](Nc2nc3ccccc3s2)C1 828870061 PZVFZSAFYAZSAZ-RKDXNWHRSA-N 284.362 0.866 0 50 CCAA CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccn2)C1 219412 CRZNLHGYSRBOQL-NSHDSACASA-N 297.380 0.369 0 50 CCAA Cc1ccccc1-n1c(SCC(N)=O)nc(O)cc1=O 453929 KIPYWJPVAFWIFE-UHFFFAOYSA-N 291.332 0.824 0 50 CCAA O=C1NC[C@H]2CN(C(=O)c3cc(C4CC4)no3)C[C@@H]12 2356148638 JOUIARZUEXYVQQ-DTWKUNHWSA-N 261.281 0.370 0 50 CCAA CC(=O)Cn1c2ccccc2n2nc(C)c(=O)nc12 4476952 AZOSJGNEZBTESI-UHFFFAOYSA-N 256.265 0.942 0 50 CCAA CCCCNS(=O)(=O)c1ccc(OCC(N)=O)cc1 6701240 LCCHUGQDBXOXRB-UHFFFAOYSA-N 286.353 0.629 0 50 CCAA C[C@@H](NC(=O)C1CCC1)C(=O)N1CCN(C2CC2)C(=O)C1 225449258 QYPXQSAWAVJYLC-SNVBAGLBSA-N 293.367 0.124 0 50 CCAA O=C(NC1CN(C(=O)Nc2ccncn2)C1)C1CC1 225479558 KRYKGGMPVHBCRB-UHFFFAOYSA-N 261.285 0.219 0 50 CCAA CNC(=O)[C@H](CO)NC(=O)c1ccc(C)c(C)c1 225604099 QBMNKDOFEIQKNJ-NSHDSACASA-N 250.298 0.140 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1C(=O)COCC(F)(F)F 344839811 IMFRDTOCEVJTHH-IUCAKERBSA-N 285.262 0.828 0 50 CCAA CCC1=C[C@@H](n2cnc3c(N)nccc32)[C@H](O)[C@@H]1O 64859471 LOPQGDXUPVVPHJ-JLLWLGSASA-N 260.297 0.626 0 50 CCAA in-vitro C[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1ccc(F)cc1 22606756 PRXYDYDBZHZMJI-SECBINFHSA-N 288.344 0.894 0 50 CCAA CCc1ncc2c(n1)CN(C(=O)CCc1n[nH]c(C)n1)C2 67841413 GDIFGRMHSKBXOM-UHFFFAOYSA-N 286.339 0.941 0 50 CCAA CCCc1cnc(C)nc1N[C@H](C(N)=O)[C@@H](C)O 65395115 HXQHCMGCBBYDEV-XCBNKYQSSA-N 252.318 0.384 0 50 CCAA CC(C)CC[C@@H](O)CN1CCCN(C(N)=O)CC1 253429820 ILDANCKQFWXWPE-GFCCVEGCSA-N 257.378 0.870 0 50 CCAA COc1ccnc(N2CCC[C@@H]2c2nc(C(N)=O)no2)n1 328624718 KBHOOUXBTZSTQB-SSDOTTSWSA-N 290.283 0.309 0 50 CCAA CCOCC(=O)N(C)C[C@@H]1C[C@H](F)CN1CC(=N)O 328656021 YZIXDJGMPNPAJW-UWVGGRQHSA-N 275.324 0.429 0 50 CCAA CC(C)c1noc(CCCNC(=O)[C@@H]2C[C@H]2C(=O)O)n1 362485999 HXIKFTLRYDTFQY-RKDXNWHRSA-N 281.312 0.963 0 50 CCAA CC(C)NCCN1CCO[C@](C)(c2cnn(C)c2)C1 366184103 LIYGGGURRDTUCV-AWEZNQCLSA-N 266.389 0.966 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)COc1cccnc1 332330858 MDMHMMWVQBQTDI-JTQLQIEISA-N 263.297 0.197 0 50 CCAA CC[C@H]1CN(C(=O)CS(=O)(=O)C2CC2)C[C@H](CC)O1 333694812 GKAWRZYSUJWOMJ-QWRGUYRKSA-N 289.397 0.980 0 50 CCAA COCn1nc(Br)nc1N1CCC(O)CC1 216629521 XBTHRTYZYDPPLW-UHFFFAOYSA-N 291.149 0.606 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2ccccc2N)C[C@H]1C(=O)O 263184264 UQPDJIRRDMQYDG-RKDXNWHRSA-N 284.337 0.610 0 50 CCAA CNC(=O)[C@@H]1CCCC[C@H]1NC[C@H](O)C(F)(F)F 132161849 JPJXXHPIWOTLFD-HLTSFMKQSA-N 268.279 0.804 0 50 CCAA CC(C)CN(Cc1cnn(C)c1)C(=O)Cc1nc(O)n[nH]1 426699871 DYCUBIBBAXQJDH-UHFFFAOYSA-N 292.343 0.471 0 50 CCAA CC[C@@H](O)Cn1ncnc1CCCn1cncn1 95370627 VAQDJIJUWDLCOF-SNVBAGLBSA-N 250.306 0.273 0 50 CCAA N[C@H]1c2ccccc2C[C@@H]1NC(=O)CCN1CCCC1=O 97797646 CTCNVCCEBSNCTB-BBRMVZONSA-N 287.363 0.740 0 50 CCAA CCc1nn(C)c(CC)c1CNC(=O)N1CCNC(=O)C1 179668559 IVBJXPVWXDCKMG-UHFFFAOYSA-N 293.371 0.186 0 50 CCAA Cc1cn(CCNC(=O)c2cn3ccsc3n2)nn1 91987373 WYFRCTCHDIFTJA-UHFFFAOYSA-N 276.325 0.726 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)NCC(=O)N1CCCC1 97480142 LBEQJQGVOXZWOT-UHFFFAOYSA-N 291.355 0.203 0 50 CCAA CC(=O)N1CC[C@]2(O)CCN(Cc3nc(C)c[nH]3)C[C@@H]2C1 95353828 POASBTFMSJWQGJ-UKRRQHHQSA-N 292.383 0.523 0 50 CCAA Cc1n[nH]c(C)c1[C@H](N)C(=O)NCCc1ccccn1 91452049 DDKDUKJVTZZAFL-ZDUSSCGKSA-N 273.340 0.780 0 50 CCAA Cc1ccc(-c2noc([C@H]3CCC(=O)NC3)n2)nn1 91915188 JHTSEPSOKWJNCX-QMMMGPOBSA-N 259.269 0.829 0 50 CCAA CNCC(=O)NCCCc1nc2cc(F)ccc2[nH]1 244884212 YHOANCLQBOIDTN-UHFFFAOYSA-N 264.304 0.970 0 50 CCAA CC[C@@H](C(=O)NCCc1ncc[nH]1)N1CCOCC1 534651707 GPFCMMHHLSNOHI-NSHDSACASA-N 266.345 0.179 0 50 CCAA CCN(C)C1(CNC(=O)c2cncc(=O)[nH]2)CCCC1 534586722 ZXPPAERRBWRCHP-UHFFFAOYSA-N 278.356 0.764 0 50 CCAA CC[C@H](CNC(=O)c1cc(C)ncc1O)N1CCOCC1 534590256 UIPNSTKCWAPJQL-GFCCVEGCSA-N 293.367 0.936 0 50 CCAA Cc1nc(CNC(=O)Cn2ccc(=O)cc2)cs1 827861053 YVSRMYFFEZOCAE-UHFFFAOYSA-N 263.322 0.930 0 50 CCAA CC[C@@H](C(=O)N1CCN(CCC(N)=O)CC1)n1cccc1 584887643 KUGANMKWPGDYMK-ZDUSSCGKSA-N 292.383 0.459 0 50 CCAA COc1ccnc(N(C)C[C@@H]2CC(=O)N(C)C2)n1 670472286 BRDOYEFLSUNKPU-SECBINFHSA-N 250.302 0.400 0 50 CCAA Cc1nnc(N(C)CC2CCN(CCO)CC2)s1 670441076 YJNIUBAWINWMTK-UHFFFAOYSA-N 270.402 0.987 0 50 CCAA C[C@]1(C(=O)NC[C@@H](O)c2ccccc2F)CCNC1 269245574 QXWLGIBDQAHDSO-OCCSQVGLSA-N 266.316 0.975 0 50 CCAA C[C@H](C(=O)N1CCCC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 685940199 WPTRIEKOGPSJFZ-IJLUTSLNSA-N 276.336 0.949 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N[C@@](C)(COC)C(=O)OC 1875264890 VUCZHMDAFYDEIY-AUTRQRHGSA-N 260.334 0.054 0 50 CCAA CCOC(=O)[C@@H](O)Cn1cc(-c2ccccc2C=O)nn1 1875367292 OKNJDPXSWFBGBJ-ZDUSSCGKSA-N 289.291 0.682 0 50 CCAA Cn1ccc(C(=O)N[C@H]2C[C@](O)(C(F)(F)F)C2)n1 1875313950 ZEHXXMFTXWWTGM-KZCWHLCOSA-N 263.219 0.606 0 50 CCAA Cc1noc(=O)n1CCNC(=O)OCC(F)(F)F 1875391639 NJUSXKUNYYCSGT-UHFFFAOYSA-N 269.179 0.433 0 50 CCAA Cc1cc(N)n(CC(=O)NC[C@H](c2ccco2)N(C)C)n1 952987520 OHTNIUWRHOOVRM-LLVKDONJSA-N 291.355 0.786 0 50 CCAA CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCS(C)(=O)=O 952987552 FFKKXGRFNLPDEI-MNOVXSKESA-N 274.386 0.116 0 50 CCAA CCCOCCN1CCN(C(=O)[C@@H]2CCCN2C)CC1 952977242 PPAGDMXVIUNOER-AWEZNQCLSA-N 283.416 0.651 0 50 CCAA Cc1cnc(NCc2nc([C@@H]3COCCN3C)n[nH]2)nc1 888098285 DMKBZJNEYFHTRQ-JTQLQIEISA-N 289.343 0.518 0 50 CCAA N[C@H]1CN(Cc2n[nH]c3c2COCC3)CC12CCC2 1775962675 ZPWYKQFSGUOVNU-ZDUSSCGKSA-N 262.357 0.796 0 50 CCAA CCn1nccc1CCN1CC[C@](O)(Cn2ccnn2)C1 671554230 RERNDLYRDKRVRB-CQSZACIVSA-N 290.371 0.174 0 50 CCAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(CC2CCOCC2)C1 408035700 ZDKAUWXUYINCAU-NEPJUHHUSA-N 266.345 0.993 0 50 CCAA CC(=O)N1CCN(Cc2nnnn2C(C)(C)C)C(C)(C)C1 408245513 GOPQQRUSYUSSIO-UHFFFAOYSA-N 294.403 0.871 0 50 CCAA NC(=O)[C@H]1CCC[C@@H](C(=O)NS(=O)(=O)C2CCC2)C1 408480516 CXBVOHRBEKGIJE-DTWKUNHWSA-N 288.369 0.277 0 50 CCAA CN(CCN1CCCC1=O)C(=O)c1cccc2ncnn12 516596428 QRWWANWWNKEING-UHFFFAOYSA-N 287.323 0.424 0 50 CCAA Cc1c[nH]cc1C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 585087600 QPTFTUZQBXKXHZ-IJLUTSLNSA-N 260.297 0.624 0 50 CCAA CC(C)C[C@H](CN)CC(=O)OC[C@@H]1CCS(=O)(=O)C1 585123721 XTEHGBHQHICEQB-RYUDHWBXSA-N 291.413 0.975 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cnccc1C 643764023 MRRNAZHOYNEFIV-CQSZACIVSA-N 263.341 0.856 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(CCc2cn[nH]c2)C1 643811897 CKCJWGDSHUYMAD-CQSZACIVSA-N 280.372 0.257 0 50 CCAA Cc1nc(Cn2cnc3c(nnn3C)c2=O)cs1 647136333 GYRJJYADNYXXEL-UHFFFAOYSA-N 262.298 0.338 0 50 CCAA Cc1cn2ccnc(C(=O)NCC[C@]3(O)CCOC3)c2n1 652802241 DHXWDDMYNOWFFZ-AWEZNQCLSA-N 290.323 0.309 0 50 CCAA CCC1(Cn2cc(C(=O)N3CCCC3)nn2)COC1 665073478 SFFOSGDMSCDTKK-UHFFFAOYSA-N 264.329 0.941 0 50 CCAA C[C@H](C(=O)O)N(C)C(=O)Cc1ccccc1S(C)(=O)=O 576823120 OOJPSMSKQFEEES-SECBINFHSA-N 299.348 0.564 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CC[C@@H]2OCC[C@@H]2C1 911513223 YTSPFDCVNZLLAH-NEPJUHHUSA-N 266.341 0.658 0 50 CCAA OC[C@H]1CN(Cc2cnc(C3CC3)o2)CC[C@H]1O 1335329520 KRUHITGIMQQLSZ-ZYHUDNBSSA-N 252.314 0.727 0 50 CCAA C[C@H](CN1CCCCCC1)NCCCc1nn[nH]n1 1506420257 ZYSHEMKWWKFFKS-GFCCVEGCSA-N 266.393 0.986 0 50 CCAA Cc1c(F)cccc1NC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 1506406739 OHPOLNZPLHQILW-KBPBESRZSA-N 295.358 0.679 0 50 CCAA O=C(Cc1ccc(F)cc1Cl)N[C@H]1CCNC[C@@H]1O 216293703 LJESZTXJWIZORO-RYUDHWBXSA-N 286.734 0.861 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)C2CC=CC2)C1 644002692 SHVYTYDROFASBN-CYBMUJFWSA-N 252.314 0.182 0 50 CCAA CN(C)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1cccn1C 1615588499 BQEXFCFQKUWQDD-DRZSPHRISA-N 291.351 0.485 0 50 CCAA Cc1cc(COCC(=O)N2C[C@@H]3CCC[C@@]3(N)C2)no1 1615554868 VVBUJOYZKBAQIM-SMDDNHRTSA-N 279.340 0.839 0 50 CCAA N[C@@]12CCC[C@@H]1CN(C(=O)c1ccc3c(n1)CNCC3)C2 1615547704 PMLWEUDTHGAEPE-MLGOLLRUSA-N 286.379 0.681 0 50 CCAA CC1(C(=O)N2CCCN(c3ncccn3)CC2)COC1 370334799 OCTJMFGXGRVQMU-UHFFFAOYSA-N 276.340 0.552 0 50 CCAA NS(=O)(=O)C[C@@H]1CCN(c2ncnc3cc[nH]c23)C1 1772813316 WZQLGTXXEZOBRO-MRVPVSSYSA-N 281.341 0.073 0 50 CCAA COCCn1cnnc1CN(C)CC[C@H]1COCCO1 1775980061 SAJGJUPGCOUSLN-LBPRGKRZSA-N 284.360 0.162 0 50 CCAA O=C(CCCn1cncn1)N1CCC[C@@H](C2(O)CC2)C1 1772806109 ZCQDSSGZTDHKPU-GFCCVEGCSA-N 278.356 0.822 0 50 CCAA Cc1nc(O)cc(CNC(=O)c2nsnc2C)n1 1775981991 FVFOXFYLGSXZQQ-UHFFFAOYSA-N 265.298 0.581 0 50 CCAA CN(C)C[C@]12CNC[C@@H]1CN(c1nccs1)C2 1772710063 UTKGDYWSESNPQA-PWSUYJOCSA-N 252.387 0.731 0 50 CCAA Cc1nc(CCN2CCN(S(C)(=O)=O)CC2)cs1 163326770 URWMGQGFTJUVOF-UHFFFAOYSA-N 289.426 0.571 0 50 CCAA COc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](O)CO[C@H]23)cc1F 1875250115 YQXBAIHDPZARTE-YRRQLQLVSA-N 297.282 0.091 0 50 CCAA COc1cnc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)nc1 341211177 YSDJXORVOSLYCH-FXPVBKGRSA-N 290.323 0.224 0 50 CCAA O=C(O)[C@@H]1CCCN1CCNS(=O)(=O)c1ccccc1 262668624 QRCOVKWCURKSIG-LBPRGKRZSA-N 298.364 0.514 0 50 CCAA C[C@H]1OC(=O)N[C@H]1C(=O)N=c1[nH][nH]c2cc(F)ccc12 496766867 NQOWPSSSBDWLBB-MLUIRONXSA-N 278.243 0.559 0 50 CCAA C[C@H]1CN(C(=O)NCc2cnn(C)n2)C[C@H](C2CC2)O1 805996471 LPDIWWVSMMBKFK-JOYOIKCWSA-N 279.344 0.524 0 50 CCAA CCCS(=O)(=O)N1CCO[C@@H](c2ccnn2C)C1 907491252 KFVHYZSWFGPNHM-LLVKDONJSA-N 273.358 0.533 0 50 CCAA O=C(O)[C@H]1C[C@@H]2C[C@H](NC(=O)C3(O)CCCC3)[C@@H]2C1 907948752 OMXDGJCUTHTXGR-YTWAJWBKSA-N 267.325 0.907 0 50 CCAA CCOC(=O)[C@H](Cc1ccnc(OC)n1)NC(C)=O 1857778122 FLXKTKPOQWWEMG-JTQLQIEISA-N 267.285 0.096 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1O)c1ccc2nccnc2c1 218831085 IACLAGJLVROIKC-DGCLKSJQSA-N 273.292 0.509 0 50 CCAA CC[C@H](C(N)=O)N1CCN(Cc2cccnc2)CC1 125236752 LKGBKWBJSYCCSL-CYBMUJFWSA-N 262.357 0.463 0 50 CCAA Cc1nc[nH]c1CNC(=O)c1cccc(OCCN)c1 426419763 MGZWNEHSVDIMOG-UHFFFAOYSA-N 274.324 0.986 0 50 CCAA O=C(O)CCCC(=O)N1CCN(C2CCOCC2)CC1 534649890 ZDFNNCRFLXQMRW-UHFFFAOYSA-N 284.356 0.565 0 50 CCAA Cn1nnnc1CN1CCC[C@@H]1CN1CCCC1 369126038 MEFJTDKNUHPDLC-LLVKDONJSA-N 250.350 0.270 0 50 CCAA CN1C[C@H](c2nc(-c3ccccc3)no2)NCC1=O 899993872 OJXPKKMFQSWTNP-SNVBAGLBSA-N 258.281 0.839 0 50 CCAA CC1(C)CNC(=O)[C@@H]1NC(=O)c1cc(O)nc(C2CC2)c1 912642457 RSFZYOHFPCMSJN-LBPRGKRZSA-N 289.335 0.919 0 50 CCAA COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 186553 LWZATQDWEXAGQR-NSHDSACASA-N 285.321 0.933 0 50 CCAA O=C(O)CCC(=O)N1CCN(C(=O)c2ccco2)CC1 294786 PNEQJCQAOHOSJW-UHFFFAOYSA-N 280.280 0.429 0 50 CCAA CCn1c(SCC(C)=O)nc2c1c(=O)n(C)c(=O)n2C 351120 AJLGNGFMJMQNIP-UHFFFAOYSA-N 296.352 0.135 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)O 2560857 PLJXCLBLFPFXEN-QMMMGPOBSA-N 272.301 0.587 0 50 CCAA Cc1c(Cl)cccc1NC(=O)C(=O)NCCO 2870120 MRFUXICONQNWNS-UHFFFAOYSA-N 256.689 0.695 0 50 CCAA O=S1(=O)CC[C@H](NC(=S)Nc2ccccn2)C1 4754821 RAUXYLYEJVPKFR-QMMMGPOBSA-N 271.367 0.555 0 50 CCAA C[C@H]1CN(C(=O)[C@H](CN)c2ccccc2)C[C@@H](C)N1 247324613 TVTYVJRLAZINPH-MBNYWOFBSA-N 261.369 0.938 0 50 CCAA O=C1CNC(=O)N1Cc1nc(Cc2ccccc2)n[nH]1 65454016 SKGYYFZJJUSZHK-UHFFFAOYSA-N 271.280 0.447 0 50 CCAA NC(=O)[C@H](NC(=O)c1csc(O)n1)c1ccc(F)cc1 350898361 MLSMMWKDBXYQLY-SECBINFHSA-N 295.295 0.944 0 50 CCAA Nc1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c1 23128314 KNEXMIWFQQWJNM-LLVKDONJSA-N 284.337 0.897 0 50 CCAA COC1(C(=O)NC[C@@H](O)c2ccc(F)cc2)CCNCC1 151450887 PHVUHGXNYPWODH-CYBMUJFWSA-N 296.342 0.744 0 50 CCAA O=C(NC[C@@H]1CCNC[C@H]1O)c1ccc2c(c1)CCO2 72125282 PKDXKXWAVKDRSH-QWHCGFSZSA-N 276.336 0.322 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2ccc3nonc3c2)C[C@@H]1O 219902020 HRQBCSRLRNXMFM-JSGCOSHPSA-N 291.307 0.571 0 50 CCAA O=S(=O)(C1CC1)N1CCC[C@@H](c2ncno2)C1 375508454 SOAPNGBPONCYAA-MRVPVSSYSA-N 257.315 0.741 0 50 CCAA CCc1nc(N2CC[C@H](CO)[C@H](O)C2)ncc1C 72155888 FWTQXZLTWUMOPN-ZYHUDNBSSA-N 251.330 0.527 0 50 CCAA NC[C@@H]1CCCCN1C(=O)c1cn2cccnc2n1 237857442 WSRNMQLWXDYBHX-JTQLQIEISA-N 259.313 0.683 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1cccc(-n2cnnn2)c1 238085607 WESUCGBUQWCYOH-LLVKDONJSA-N 287.279 0.352 0 50 CCAA CC[C@@H]1COCCN1C(=O)c1n[nH]c(N)c1Cl 223544244 HXNLVYOBDRIKFJ-ZCFIWIBFSA-N 258.709 0.896 0 50 CCAA O=C(NCCn1cncn1)c1cccc2c1OCCO2 223336772 ZXMNLYNQNHMLNS-UHFFFAOYSA-N 274.280 0.479 0 50 CCAA Cc1cc(C)n2nc(SC[C@H]3COC(=O)N3)nc2n1 496910003 IZKXKWBEJMUVDJ-MRVPVSSYSA-N 279.325 0.942 0 50 CCAA C[C@@]1(C(=O)N2CCN(CCO)CC2)CCCC[C@H]1N 695549962 KRAVFBJULJIQSD-TZMCWYRMSA-N 269.389 0.031 0 50 CCAA COc1ncc(CN2C[C@@H](CO)[C@H](CO)C2)cc1Cl 528602688 JAXFHTUDQLTIIK-QWRGUYRKSA-N 286.759 0.776 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCCNc1ncccc1C 223104488 HWMZGWJPEGVCJQ-SNVBAGLBSA-N 280.328 0.663 0 50 CCAA O=C(O)CO[C@H]1CCOC[C@H]1Nc1cnccn1 223627139 HTYALICKPBXGFF-BDAKNGLRSA-N 253.258 0.147 0 50 CCAA CC[C@@H](O)CNC(=O)c1cn(C(C)C)cc(C(=O)O)c1=O 426439043 UKCDVSUHNXNMIA-SECBINFHSA-N 296.323 0.628 0 50 CCAA COCc1ccc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)s1 97553290 LJVPKYLQJHFRFK-MRVPVSSYSA-N 287.362 0.935 0 50 CCAA Cc1ccc(NCCCNC(=O)CCC(=O)O)nc1 426677686 OWZBGTIUUBPBCC-UHFFFAOYSA-N 265.313 1.173 0 50 CCAA CCNC(=O)[C@H]1CCN(Cc2cn[nH]c2C(=O)O)C1 97654079 VKUYNDSSMCXKPQ-QMMMGPOBSA-N 266.301 0.066 0 50 CCAA CCNc1ncc(C(=O)N[C@H](C(N)=O)c2ccccc2)cn1 91441583 BIXZETCQODSOQD-LBPRGKRZSA-N 299.334 0.865 0 50 CCAA CC[C@@H](NC(=O)CCCn1cncn1)c1ncnn1C 244574931 CTUIMWFZEICLAU-SNVBAGLBSA-N 277.332 0.454 0 50 CCAA C[C@@H](C(=O)NCCc1n[nH]c(N)n1)n1cc(Cl)cn1 244685593 ISYCOLGENSJOKP-LURJTMIESA-N 283.723 0.157 0 50 CCAA CCn1cc(O[C@@H]2CN(Cc3ncccn3)C[C@H]2O)cn1 625614218 RYKPBBNHZIREHU-CHWSQXEVSA-N 289.339 0.317 0 50 CCAA COCc1cc(C(=O)N2CCOC[C@H]2C(=O)O)ccc1F 299751750 ROMRUQQUJOQJHG-LBPRGKRZSA-N 297.282 0.898 0 50 CCAA O=C1CN(C(=O)NCc2cccc(CO)c2)CCCN1 534585407 LADNNWXJSCQPRR-UHFFFAOYSA-N 277.324 0.210 0 50 CCAA CCc1csc(CCNC(=O)C(=O)N2CCOCC2)n1 299790819 BYBLBFOFTZMHIF-UHFFFAOYSA-N 297.380 0.223 0 50 CCAA COCCN1CC[C@@H](CN(C)c2cnccn2)C1 824412384 LFIJNULYDWICCE-LBPRGKRZSA-N 250.346 0.881 0 50 CCAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)[C@H]1CCCO1 585820733 LMLYECQFSQRKMY-CYBMUJFWSA-N 295.383 0.962 0 50 CCAA CC[C@@]1(O)CCCN(C(=O)CCN2CCCC2=O)C1 584896493 ZCMGDDPQPUZZQT-CQSZACIVSA-N 268.357 0.762 0 50 CCAA Cc1cccc(N2C[C@@H](NC(=O)c3cc(N)n[nH]3)CC2=O)c1 584890441 YNZCICGKBKATKU-JTQLQIEISA-N 299.334 0.836 0 50 CCAA Cc1ncncc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 584886123 JPAFMEOPUAXURR-SNVBAGLBSA-N 274.324 0.526 0 50 CCAA Cc1[nH]ccc1C(=O)NCCN1CCC[C@@H](CO)C1 670465614 KXXRWSZOXZXWFY-GFCCVEGCSA-N 265.357 0.757 0 50 CCAA CC(=O)N1CCC2(CC1)C[C@H](O)c1nn(C)cc1O2 1875321522 LLLBHYDGGFYCHW-JTQLQIEISA-N 265.313 0.617 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCc3nc(C)ncc3C2)C1 1875387816 YYNDPDLWTUBZTL-UHFFFAOYSA-N 286.335 0.314 0 50 CCAA Cc1ccccc1[C@H]1CN(C(=O)[C@@H](N)CO)CCO1 888095800 GWWSTPSMJRBBPW-QWHCGFSZSA-N 264.325 0.215 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N2CCCCO2)C1=O 888076324 ZSBZRXSPCMEVNJ-NSHDSACASA-N 270.329 0.568 0 50 CCAA C[C@]1(Br)C[C@H]1C(=O)N1CC2CC1(C(N)=O)C2 888100420 LMBPGSWXYHQQQH-WROLHMAMSA-N 287.157 0.636 0 50 CCAA CC(=O)NC[C@@H]1CN(Cc2cc(C)no2)CCCO1 888103719 VTBLSHLHBYCWPH-CYBMUJFWSA-N 267.329 0.710 0 50 CCAA CC1(CNC(=O)[C@]23CNC[C@H]2CCOC3)CCC1 1341583544 ZWNWXQAPUMYTHW-RISCZKNCSA-N 252.358 0.919 0 50 CCAA Nc1nnc(CC(=O)N2CCn3cccc3C2)s1 1350609451 DUOJRYGWTZSULG-UHFFFAOYSA-N 263.326 0.507 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)CCc1cnn(C)c1 1565527132 KWOUPCRYBBKHRS-RYUDHWBXSA-N 267.329 0.273 0 50 CCAA CS(=O)(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2 1565516054 DJUZNQUBIQKYEI-OCCSQVGLSA-N 295.408 0.937 0 50 CCAA CN(C)Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2O)o1 1565508592 URJFYTPTTILGQR-QWRGUYRKSA-N 268.313 0.221 0 50 CCAA O=C(CN1CCC[C@@H]1CO)Nc1ccc2nc(O)[nH]c2c1 725796921 SBBGDVGUQVDJRF-SNVBAGLBSA-N 290.323 0.664 0 50 CCAA CCc1cccnc1C(=O)N1CCS(=O)(=O)CC1 271059675 SFXCEYWHUGOTTL-UHFFFAOYSA-N 268.338 0.515 0 50 CCAA COC[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 275966952 NGDXXEWYCNZONL-OLZOCXBDSA-N 292.383 0.792 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccon1 643950486 IJSLMEVGLVHSRB-LBPRGKRZSA-N 267.285 0.042 0 50 CCAA COc1cc(CN2C[C@H](CO)OC(C)(C)C2)on1 660831635 SEPTWVRGGSEEJZ-SNVBAGLBSA-N 256.302 0.655 0 50 CCAA CO[C@H](C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1)C1CC1 668293930 MROILWHSEBJOHS-TUAOUCFPSA-N 267.325 0.981 0 50 CCAA Cc1cnc(N2CCC[C@](O)(CO)CC2)nc1N(C)C 1704338411 UGZNOMCOXPJMAR-CQSZACIVSA-N 280.372 0.565 0 50 CCAA Cn1ncc(C(=O)N2CCO[C@H]3CCC[C@H]32)c1N 131246932 YKMOUUDMAWKCPZ-ZJUUUORDSA-N 250.302 0.396 0 50 CCAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CC[C@H]2O)CC1 1875365834 OPPOJXHIXSDFMP-GHMZBOCLSA-N 252.314 0.051 0 50 CCAA CN(CC(=O)N1C[C@H](O)[C@@H](F)C1)Cc1ccccc1 1615701449 RPDQLTNKBVWVNZ-STQMWFEESA-N 266.316 0.660 0 50 CCAA Cc1cc(OCC(=O)N2CCC3(CCN3)CC2)no1 1615046509 GCAVRWSPHRKDDC-UHFFFAOYSA-N 265.313 0.716 0 50 CCAA C[C@@H](CS(=O)(=O)N(C)CC(N)=O)C(C)(C)C 1616038324 LUAWASWIOYYRQE-QMMMGPOBSA-N 250.364 0.416 0 50 CCAA CNCC1CCN(C[C@@H]2CCC(=O)N(C)C2)CC1 1775980837 CMEDBKXMCOZKFR-CYBMUJFWSA-N 253.390 0.786 0 50 CCAA CN(C)CC(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 12298386 XODCTVNIGZMHGB-CYBMUJFWSA-N 293.342 0.604 0 50 CCAA COCCN1CCC[C@](O)(CN2CCSCC2)C1=O 12591498 DFYKDLZWEXFQDK-ZDUSSCGKSA-N 288.413 0.035 0 50 CCAA Cn1ccn2c(CN3CC[C@@H](O)C(C)(C)C3)nnc2c1=O 1857528398 UTSUWRZRJXEIEQ-SNVBAGLBSA-N 291.355 0.021 0 50 CCAA O[C@@H]1CO[C@@H]2[C@H](N=c3nc(-c4ccccc4)[nH]o3)CO[C@H]12 1857696396 YONKNLOWWKRUMK-DDHJBXDOSA-N 289.291 0.098 0 50 CCAA Cc1ccc(Cl)c(C(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1 1875243169 UCPNNZNEYSZRFO-UMSGYPCISA-N 297.738 0.905 0 50 CCAA O=C(N[C@H]1C[C@@H](O)C12CCC2)c1nc[nH]c2nccc1-2 619071874 UHZBBDYYDGGXED-VHSXEESVSA-N 272.308 0.943 0 50 CCAA Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@H]1CC(=O)O 129381109 RJJCPFBBSVQIQT-NSHDSACASA-N 295.339 0.282 0 50 CCAA C[C@@H]1CCO[C@@H]1C(=O)N1CCC(C)(C)S(=O)(=O)CC1 253429524 DBRDUMPGVZEYIT-MNOVXSKESA-N 289.397 0.837 0 50 CCAA COC(=O)c1ccc(OC[C@H](O)CN(C)C)cc1 5524952 SONXOBMWMCSYQI-LLVKDONJSA-N 253.298 0.775 0 50 CCAA COCCn1ccnc1CN1CCC[C@H](C(=O)O)C1 218739477 SNPAQRKEIXSDAN-NSHDSACASA-N 267.329 0.826 0 50 CCAA OC[C@@H]1CCCN1C[C@H]1CCCN1CCC1OCCO1 253369627 FVWOJMYIKZJHRG-KGLIPLIRSA-N 284.400 0.671 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@H]1C(=O)O 159906680 NNHISXLDTMECLW-MNOVXSKESA-N 268.313 0.463 0 50 CCAA O=C([C@H]1CCCN1)N1CCN(Cc2cccnc2)CC1 37818437 GKYJISXEGKBJGV-CQSZACIVSA-N 274.368 0.478 0 50 CCAA O=C(O)Cc1ccc(CN2C[C@H](CO)[C@@H](CO)C2)cc1 704511470 MUPUTYXYOJOEAQ-ZIAGYGMSSA-N 279.336 0.346 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)CC2=O)C1 204487860 VVCRPJXQMHUCTG-CYBMUJFWSA-N 268.313 0.703 0 50 CCAA CN(c1cccc(NS(C)(=O)=O)c1)S(C)(=O)=O 479547 YXMSWMQEFNHQCC-UHFFFAOYSA-N 278.355 0.454 0 50 CCAA NCCNS(=O)(=O)c1cccc2cnccc12 2149990 DCVZSHVZGVWQKV-UHFFFAOYSA-N 251.311 0.472 0 50 CCAA in-vivo CC[C@H](C(=O)NCCN=c1nc[nH]n1C)c1ccccc1 2356146101 RNVFZCBGHSKZKP-ZDUSSCGKSA-N 287.367 0.959 0 50 CCAA C[C@]1(NC(=S)Nc2ccccn2)CCS(=O)(=O)C1 4107587 BPQFXSSMIBGPQJ-NSHDSACASA-N 285.394 0.945 0 50 CCAA C[C@@H]1C[C@H](N2CCC[C@H]2Cn2cncn2)C(=O)O1 247829151 KMOFNNJZGYOJNH-VWYCJHECSA-N 250.302 0.447 0 50 CCAA COC(=O)[C@@H]1[C@@H]2C(=O)N(CC(C)C)C[C@@]23C=C[C@H]1O3 100642725 OMGBOXKFVDXULF-DEKYYXRVSA-N 265.309 0.597 0 50 CCAA C[C@H]1CN(Cc2cccc(OCC(N)=O)c2)CCN1C 67757257 FQKZTEWERRIEEB-LBPRGKRZSA-N 277.368 0.687 0 50 CCAA CO[C@@H](C)CS(=O)(=O)N1C[C@H](C)OC(C)(C)C1 249633850 VZUATZKAJUTWPD-UWVGGRQHSA-N 265.375 0.850 0 50 CCAA CCOc1ncccc1CN1C(=O)[C@@H]2COCCN2C1=O 359997456 JQVOEBVMJWTLBE-NSHDSACASA-N 291.307 0.643 0 50 CCAA C[C@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)C1CC1 229537039 WLQKSFOCSHRRDQ-AAEUAGOBSA-N 269.389 0.164 0 50 CCAA O=S(=O)(NCCc1ncc[nH]1)N1CCCCCC1 141482901 SAQUDALIZNFERW-UHFFFAOYSA-N 272.374 0.663 0 50 CCAA CCCn1nnnc1CN(C)C[C@@H]1CCc2nccn2C1 328625193 CXTXRUWFAXJHLM-LBPRGKRZSA-N 289.387 0.974 0 50 CCAA O=C(O)CN1CCC(NC(=O)c2ccc(CO)cc2)CC1 218493667 IZWJTROTUWSNSL-UHFFFAOYSA-N 292.335 0.458 0 50 CCAA Nc1nc(CCNC(=O)c2ccnc3ccccc23)n[nH]1 218851530 PCMBSYFVDVSOOV-UHFFFAOYSA-N 282.307 0.908 0 50 CCAA O=C(c1ncn[nH]1)N1CCC([C@@H](O)c2ccccn2)CC1 215703208 RTBKVVBWGSEALD-GFCCVEGCSA-N 287.323 0.786 0 50 CCAA C[C@H](Cc1ccccc1F)NC(=O)[C@H]1C[C@H](O)CN1 151606423 NBUUAXZZUJUDLS-SUZMYJTESA-N 266.316 0.596 0 50 CCAA Cc1cc(C(=O)N2CCCNCC2)ccc1S(N)(=O)=O 237686394 AAPPNMOFBXNFFO-UHFFFAOYSA-N 297.380 0.078 0 50 CCAA COCCN(C(=O)/C=C/CN(C)C)[C@@H]1CCO[C@@H]1C 493548591 GOJVQULIKCEIJW-FBVTZJDUSA-N 270.373 0.757 0 50 CCAA CC(=O)c1csc(C(=O)N2CCOC[C@@H]2C(=O)O)c1 262534535 UAFOXQHUPMFETD-SECBINFHSA-N 283.305 0.876 0 50 CCAA COCCN1CCN(c2cc(C3CC(O)C3)ncn2)CC1 219161159 FVGDILIZEYIKEF-UHFFFAOYSA-N 292.383 0.483 0 50 CCAA C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc2c(=N)[nH]cnc2c1 613687232 YBVASRRHTMYNHQ-SECBINFHSA-N 299.334 0.345 0 50 CCAA CCc1nc(CSc2nnc(CNC)n2C)n[nH]1 426412743 QCISPQGWICBTCH-UHFFFAOYSA-N 267.362 0.507 0 50 CCAA CCc1c(C)cc(C(=O)N[C@@H]2CCOC[C@H]2O)c(=O)n1C 223489213 GORPPYIYKRHDQE-DGCLKSJQSA-N 294.351 0.136 0 50 CCAA Cc1nonc1CC(=O)N[C@@H](CC(=O)O)C(C)C 426502852 GQPWDBJMBHPBAG-QMMMGPOBSA-N 255.274 0.536 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)[C@H](O)CCS2(=O)=O 95627035 OJYOLQAIQYHQOC-MRVPVSSYSA-N 277.342 0.155 0 50 CCAA Cc1cccc(=O)n1CCC(=O)NCCN1CCCC1 97744940 LAQAAQKCEWTTSB-UHFFFAOYSA-N 277.368 0.759 0 50 CCAA CC(C)[C@H]1CN(c2ncccc2F)C[C@@H]1NC(=O)CO 91624605 WGBZEOOGJNYGHT-PWSUYJOCSA-N 281.331 0.790 0 50 CCAA CCOC(=O)C1=C(N)SC[C@@]1(O)C(F)(F)F 143544990 YMHFTJJIUZVOHL-ZETCQYMHSA-N 257.233 0.760 0 50 CCAA CCN1CC[C@]2(CCC1=O)CN(CCC(=O)O)CCN2C 95371341 ZMPUXRHLSSTDBW-OAHLLOKOSA-N 297.399 0.480 0 50 CCAA Cn1cc([C@@H](NC(=O)c2cnco2)[C@H]2C[C@H](O)C2)cn1 244659765 HIHBMERHBNMBJI-PEXQALLHSA-N 276.296 0.650 0 50 CCAA c1nc(N2CCN(C[C@H]3CCCOC3)CC2)n[nH]1 243893179 AOXXDOMFUMLPMW-LLVKDONJSA-N 251.334 0.353 0 50 CCAA O=c1[nH]ccn1CCN1CCC(N2CCC[C@H](O)C2)CC1 244852914 VBRMFSVBGWAHMP-AWEZNQCLSA-N 294.399 0.098 0 50 CCAA O=C1CC[C@H](C(=O)NCCCOC2CCCC2)NC(=O)N1 534655014 MZYJYLAEGYPNCE-LLVKDONJSA-N 297.355 0.440 0 50 CCAA O=C(NCCn1ccnn1)c1ccc(CN2CCCC2)o1 534586003 VBXDDKKEMOXNDQ-UHFFFAOYSA-N 289.339 0.897 0 50 CCAA CC[C@@H](NC(=O)c1ccn(C)n1)c1ncnn1CC 534580244 WNOGXVVSCBDMTH-SECBINFHSA-N 262.317 0.913 0 50 CCAA COc1cccc2ncn(CCNC(C)=O)c(=O)c12 584901766 XQCNANAYMJCVKS-UHFFFAOYSA-N 261.281 0.541 0 50 CCAA COCCn1cnnc1[C@H](C)NC1CCOCC1 584888457 MZMIAKDJSVJODP-JTQLQIEISA-N 254.334 0.754 0 50 CCAA CCCC(=O)N1CCC(NCc2nc(O)n[nH]2)CC1 584895036 PLUYGHHRGZCNEW-UHFFFAOYSA-N 267.333 0.391 0 50 CCAA Cc1nc([C@H](C)N2CCn3ncc(CN(C)C)c3C2)n[nH]1 952889902 ONHKRAUKTQGLCM-JTQLQIEISA-N 289.387 0.948 0 50 CCAA O=C(N=c1[nH]ncs1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 1875288651 SLSVOXWZAURGEM-JIGDXULJSA-N 254.315 0.480 0 50 CCAA CN1CC[C@@H](n2nc(CO)c(-c3ccccc3)n2)C1=O 1875290814 DRLPVQNHTZIFFQ-GFCCVEGCSA-N 272.308 0.841 0 50 CCAA COCCN1CCC[C@@H]1CNC(=O)c1cn[nH]c1 170808694 OPAHSWDWAZRAAK-LLVKDONJSA-N 252.318 0.250 0 50 CCAA CC[C@@H]1CN(C(=O)Cn2cccc(C)c2=O)CCO1 171368765 YQGJCGVWQANCIB-GFCCVEGCSA-N 264.325 0.794 0 50 CCAA C[C@@H]1NCC[C@@H]1C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 582419075 IUWRBROMLNSJCY-UWJYBYFXSA-N 279.315 0.466 0 50 CCAA O=C(CN1CCCCCCC1=O)OCc1nc[nH]n1 585093523 IQJZIWJYUJCQGM-UHFFFAOYSA-N 266.301 0.641 0 50 CCAA O=S(=O)(c1cnn(CC(F)F)c1)N1CCCNCC1 193232537 UNHMAKWFEIOFOQ-UHFFFAOYSA-N 294.327 0.132 0 50 CCAA C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C(F)(F)F 913022031 USHXNZXNEJYEPG-BQBZGAKWSA-N 288.291 0.477 0 50 CCAA CN1C(=O)NCC12CN(C1Cc3ccccc3C1)C2 1857697424 AFSRQWBSQGAMNB-UHFFFAOYSA-N 257.337 0.863 0 50 CCAA O=S(=O)(NCc1cnn(CCO)c1)c1ccccc1F 1615614150 NBVAMQQIBDBNJC-UHFFFAOYSA-N 299.327 0.493 0 50 CCAA CN1CCC[C@@H](C(=O)NS(=O)(=O)N2CCCCC2)C1 1615058772 WOXKLTSAEPLCEO-LLVKDONJSA-N 289.401 0.175 0 50 CCAA CCn1ccc(CC(=O)N2CCC[C@@H]2C(=O)O)n1 652068834 PYSYGBBWVYSIJY-SNVBAGLBSA-N 251.286 0.521 0 50 CCAA Cc1ccccc1C(=O)N1C[C@H]2[C@H](C1)C2(CO)CO 1772710280 PYTQNFUCMUPKNQ-STQMWFEESA-N 261.321 0.668 0 50 CCAA CCOC(=O)c1cnc(SCC(=O)NC2CC2)nc1N 5969559 WNWMRUJGAIDODI-UHFFFAOYSA-N 296.352 0.606 0 50 CCAA COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O 11848442 HJMBACRULXCTRQ-UHFFFAOYSA-N 259.283 0.644 0 50 CCAA O=c1[nH]c2ccccc2c(=O)n1CCN1CCOCC1 15424751 XRCAMAKUUBIXIB-UHFFFAOYSA-N 275.308 0.022 0 50 CCAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)CN)CC2 1857700517 VRBPQPLCCAQKKV-UHFFFAOYSA-N 284.363 0.973 0 50 CCAA N[C@H]1CC[C@H](C(=O)NCc2cccn3nccc23)C[C@@H]1O 1857712055 KCJFZZOFLNTLET-JKOKRWQUSA-N 288.351 0.439 0 50 CCAA COC(=O)CCCN1C[C@@H](O)[C@H](Cc2ccccn2)C1 1875247278 ISTFEBMWWSSMJM-TZMCWYRMSA-N 278.352 0.870 0 50 CCAA NC(=O)C1(NC(=O)Nc2nnc(-c3ccco3)s2)CC1 342624792 YAYUGQZJIWYGDH-UHFFFAOYSA-N 293.308 0.938 0 50 CCAA CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](N2CCCC2)C1 378106242 XSKYXLIJJKWUEO-VXGBXAGGSA-N 282.388 0.520 0 50 CCAA O=C(NCCC1CCC1)N1CCN([C@@H]2CCNC2)CC1 841858014 MEHAJNTZKWACAO-CQSZACIVSA-N 280.416 0.866 0 50 CCAA Cc1ccn2ncc(C(=O)N(C)Cc3ncon3)c2n1 1120628580 GGTRODRRSPMRST-UHFFFAOYSA-N 272.268 0.693 0 50 CCAA CN1CCN(C(=O)NC2CC(c3ncc[nH]3)C2)CC1 1875313946 YZYSSDDEURVWBL-UHFFFAOYSA-N 263.345 0.613 0 50 CCAA Cc1ccc(O)c(CN2CCN3CCOC[C@H]3C2)n1 368813371 FZIDCUVNAOBPQV-GFCCVEGCSA-N 263.341 0.612 0 50 CCAA CC(C)c1nnc(CN2CCN3C(=O)OC[C@H]3C2)o1 493430003 XLEQFSGYRBZVMQ-SECBINFHSA-N 266.301 0.829 0 50 CCAA COc1ccc([C@@H]2CCN(C(=O)Cc3nn[nH]n3)C2)cc1 2325738518 NGUBCMGWRMYDSJ-LLVKDONJSA-N 287.323 0.767 0 50 CCAA CCCn1cnc(S(=O)(=O)N2CC=C[C@@H]2C(=O)O)c1 2325765454 GCJUXQFTPHJFHM-SECBINFHSA-N 285.325 0.307 0 50 CCAA O=C(O)CN1CCN(C2Cc3ccccc3C2)C[C@@H](O)C1 97572243 OJUYXRXVHJRBOI-HNNXBMFYSA-N 290.363 0.217 0 50 CCAA O=C(O)C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O 56757 VAFNMNRKDDAKRM-LLVKDONJSA-N 290.275 0.755 0 50 CCAA endogenous,in-man CCN(C[C@@H]1CCCNC1)[C@@H]1CCS(=O)(=O)C1 226434449 OCLDYOOVPYGQBX-VXGBXAGGSA-N 260.403 0.495 0 50 CCAA CN1C[C@H](NC(=O)c2ccc3cccnc3n2)C[C@H]1CO 65424554 IZUAMTYWZRWOTP-NEPJUHHUSA-N 286.335 0.425 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](n2cc(CC(C)C)nn2)CN1 67674488 CYBKYBFFDRHZEL-MNOVXSKESA-N 251.334 0.126 0 50 CCAA CN1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1 55231330 UGBIXTOGFCYYFF-UHFFFAOYSA-N 286.335 0.321 0 50 CCAA C[C@H]1C[C@H](C(=O)Nc2ccc(-n3nnnc3O)cc2)CO1 329316702 HQRWSVTYFFCPLY-IUCAKERBSA-N 289.295 0.731 0 50 CCAA COCCn1ccnc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2C 214989040 XUTDTKZLKOZLAO-OLZOCXBDSA-N 292.383 0.582 0 50 CCAA Cc1ccc(CNS(=O)(=O)C2COC2)cc1F 330193918 AQQLYBHMFLAIGO-UHFFFAOYSA-N 259.302 0.952 0 50 CCAA CN(C[C@H]1CCCN(CCO)C1)C(=O)c1cn[nH]c1 215012769 YKLNDXTZIQCQGX-LLVKDONJSA-N 266.345 0.186 0 50 CCAA CC(=O)N(C)CC(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 366531167 OCBHZZNAOJELMW-AWEZNQCLSA-N 284.356 0.261 0 50 CCAA CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 333874315 VEHXKZBEHWGLJI-JIXVBMEVSA-N 264.325 0.400 0 50 CCAA Cc1n[nH]c(SCCNC(=O)c2[nH]cnc2C)n1 71748617 CRUWEFAQMLAJBC-UHFFFAOYSA-N 266.330 0.667 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)CCOC[C@H]1CCCO1 262155161 RRRXOMPFJQWAPD-GHMZBOCLSA-N 271.313 0.648 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)Cc2cnn(C)c2)N(C)C1 284793443 ZKKDCKPPVKMASB-STQMWFEESA-N 280.372 0.140 0 50 CCAA CCN1CCO[C@@H](CNS(C)(=O)=O)[C@@H]1c1ccccc1 284854330 XQHKTWBBTWPJBR-KBPBESRZSA-N 298.408 0.998 0 50 CCAA O=C(c1ccnnc1)N1CCCO[C@@H](Cn2cccn2)C1 221270329 WWUJEVSVDYNGOR-CYBMUJFWSA-N 287.323 0.604 0 50 CCAA C[C@H]1OCC[C@]12CN(C(=O)Cc1cncn1C)CCO2 527478760 DXHNRHDUMUQJTB-RISCZKNCSA-N 279.340 0.369 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1ncn[nH]1 223405221 YFCIHRFVFDHDKW-GHMZBOCLSA-N 280.328 0.509 0 50 CCAA CC(=O)N[C@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O 137481428 XVCNPVJWQKMATF-GFCCVEGCSA-N 274.276 0.660 0 50 CCAA COc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)O)N(C)C2)o1 426389523 WPURSBNICLSVGJ-SFYZADRCSA-N 268.269 0.175 0 50 CCAA COCc1noc(CNC(=O)[C@H](C)N2CCCCC2)n1 426612949 SPEGNGJKKGIDAY-JTQLQIEISA-N 282.344 0.707 0 50 CCAA CCCC[C@@H](CO)NC(=O)c1cc(=O)cc(C)[nH]1 426423124 UPVIODNHISKLSP-JTQLQIEISA-N 252.314 0.964 0 50 CCAA Cc1cc(=O)c(C(=O)NCCc2cc[nH]n2)cn1C 426517647 SWPWZJUTGNUCAV-UHFFFAOYSA-N 260.297 0.389 0 50 CCAA C[C@H]1CN(C(=O)c2ccc3c(c2)CCNCC3)CCN1 295080426 RZTMTFOZNBFECI-LBPRGKRZSA-N 273.380 0.809 0 50 CCAA CCN1CCN(Cc2nccc(OC)c2OC)C(=O)C1=O 95528355 INUPNYCUCIDYML-UHFFFAOYSA-N 293.323 0.290 0 50 CCAA Cc1cccc(S(=O)(=O)NCCC(N)=O)c1F 181218193 HATOGRMASVWGCL-UHFFFAOYSA-N 260.290 0.288 0 50 CCAA C[C@H](O)CNC(=O)CNC(=O)OCc1ccccc1 95495751 GHCLOAOGFCFUAF-JTQLQIEISA-N 266.297 0.410 0 50 CCAA CC(C)n1cnnc1CN(C)CC(=O)NC[C@H]1CCCO1 244763942 OYFYVSZQZPPGNN-GFCCVEGCSA-N 295.387 0.586 0 50 CCAA CC(C)[C@@H]1N(c2nc(=N)[nH]c(=N)[nH]2)CC12CCOCC2 624279219 KFLKWIVCPFGKLQ-VIFPVBQESA-N 278.360 0.338 0 50 CCAA O=C(C1CCCC1)N1CC[C@@]2(O)CCNC[C@@H]2C1 253495499 GUHWKEHXYBHXIT-OCCSQVGLSA-N 252.358 0.750 0 50 CCAA O=C(NC1CC1)[C@H](O)C1CCN(CCn2cccn2)CC1 299749409 KFGJIOBIEWADHI-CQSZACIVSA-N 292.383 0.235 0 50 CCAA COCC1(CNC(=O)CN2CC[C@@H](N(C)C)C2)CCCC1 534640849 XNKSCNSWBBTGKL-CQSZACIVSA-N 297.443 0.945 0 50 CCAA CCOc1ncccc1C(=O)N1CCN2C(=O)OC[C@@H]2C1 371207655 FCFYSHYRWCOBNT-JTQLQIEISA-N 291.307 0.757 0 50 CCAA CC(C)Cc1nc(CNS(=O)(=O)N(C)C)no1 821486931 AUSRSERIAYBKCI-UHFFFAOYSA-N 262.335 0.164 0 50 CCAA CS(=O)(=O)CC(=O)NCCCC[C@@H]1CCCO1 584900190 KQMMKJDZYWZZMS-SNVBAGLBSA-N 263.359 0.497 0 50 CCAA CNc1ncccc1C(=O)N1CCN(C)[C@@H](CCO)C1 584900544 VWPBNXXCCLOAQJ-NSHDSACASA-N 278.356 0.262 0 50 CCAA Cc1cc(CN[C@@H](C)CNS(=O)(=O)C2CC2)ccn1 584902670 XNFWUPKSODZMBU-NSHDSACASA-N 283.397 0.950 0 50 CCAA O=C(NC[C@@H]1CCCc2ccccc21)[C@H]1C[C@@H](O)CN1 269214296 CYNFSSNDNZDFCD-GZBFAFLISA-N 274.364 0.946 0 50 CCAA O=C1O[C@H]2CN(c3ccc4nnc(C5CC5)n4n3)C[C@H]2O1 1875275886 IVNIMTCIJHIYJT-DTORHVGOSA-N 287.279 0.726 0 50 CCAA Cc1nn(C)c(Cl)c1CC(=O)N1CCOCCN1 1875267883 QYWDBYPHOTYKBQ-UHFFFAOYSA-N 272.736 0.288 0 50 CCAA O=C(NCc1nc(=O)o[nH]1)[C@@H]1[C@H]2CC(F)(F)C[C@H]21 1875306806 POORDFYHQATNQG-KCQQBQQISA-N 259.212 0.270 0 50 CCAA O=C1CC[C@@H](CC(=O)N2CCc3ncccc32)CN1 888142239 RESDVPZMUOZCJT-JTQLQIEISA-N 259.309 0.887 0 50 CCAA CC(C)(O)CN1CCN(C(=O)Cc2ccc(O)nc2)CC1 668379500 DTFBUPRRQRUZEK-UHFFFAOYSA-N 293.367 0.245 0 50 CCAA Cc1cnn(CCNC(=O)c2c[nH]nc2[C@H]2CCOC2)c1 275841472 HXBGEOCMADIXOW-NSHDSACASA-N 289.339 0.849 0 50 CCAA CC(C)(F)C(=O)N1CCN(c2cncc3ncnn23)CC1 275837295 XIIDWFMVFAZUJL-UHFFFAOYSA-N 292.318 0.521 0 50 CCAA Cc1cnc2nc(C(=O)N[C@@H](C)[C@H](C)C(=O)O)nn2c1 581261102 IKUWEELXFVEEPU-YUMQZZPRSA-N 277.284 0.272 0 50 CCAA O=C(O)c1cn([C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)nn1 583324802 LKGBWCSYDOPZFL-UWVGGRQHSA-N 294.311 0.176 0 50 CCAA CCN(CC)CCNC(=O)c1nnn(C(C)(C)C)n1 585099557 VWKGCESKOQKVID-UHFFFAOYSA-N 268.365 0.500 0 50 CCAA COCOCCCN=c1cc(C)nc(COC)[nH]1 585092422 WFEBTGVGFAWCTJ-UHFFFAOYSA-N 255.318 0.776 0 50 CCAA Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)on1 190040922 GSUAZXCUPVZJIX-CMPLNLGQSA-N 276.296 0.977 0 50 CCAA C[C@H](NC[C@H]1CCC=CO1)[C@H]1CN(C)CCN1C 685945136 XLWOUDLLYZNVMG-BFHYXJOUSA-N 253.390 0.903 0 50 CCAA C[C@H]1CCO[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C(=O)O)C1 710148773 JOZDFJUURHWZTE-DCJFZGGZSA-N 255.314 0.981 0 50 CCAA NC(=O)N1CC[C@H](NC(=O)[C@@]2(C(=O)O)CC=CCC2)C1 653305517 NYDDRGUIVQIKPC-TVQRCGJNSA-N 281.312 0.067 0 50 CCAA CN1CC[C@@H]2CN(C(=O)c3ccns3)C[C@]2(C(=O)O)C1 222341459 ISFVHBFFLUBYSD-NOZJJQNGSA-N 295.364 0.622 0 50 CCAA COCCN(C)S(=O)(=O)Nc1cccc(OC)c1 328595715 CAZIIMSFILGGKC-UHFFFAOYSA-N 274.342 0.930 0 50 CCAA O=C(N[C@H]1CCCOC1)N1CC[C@H]2CC[C@@H](C1)N2 333455591 YENMQRJDQIAOPV-WOPDTQHZSA-N 253.346 0.701 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2O)on1 1704339795 OGSYIACTCOXQET-MWLCHTKSSA-N 276.296 0.382 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3(CO)CC3)n[nH]c21 1857529735 LELQVRRGJSGRGJ-SFYZADRCSA-N 265.313 0.687 0 50 CCAA O=C([C@@H]1COc2ccccc21)N1CCO[C@]2(CCNC2)C1 1616040508 NKUWHSOUZYCDHB-CJNGLKHVSA-N 288.347 0.754 0 50 CCAA CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H]1C(=O)O 262143563 PYTKUANTQHJHSN-SECBINFHSA-N 277.342 0.133 0 50 CCAA OCC1(CO)[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]21 1772812353 GLWSLZFSTYJTAN-HTQZYQBOSA-N 289.257 0.532 0 50 CCAA O=C(Nc1ccccc1)[C@H]1CC(=O)n2ncnc2N1 13122422 NFFBWKQNNUGBNY-SECBINFHSA-N 257.253 0.741 0 50 CCAA CCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 14862182 QWENLXPESPNGFL-UHFFFAOYSA-N 298.364 0.457 0 50 CCAA O=C(/C=C/c1ccco1)NCCN1CCOCC1 19229188 DNACUHMKSQMIPD-ONEGZZNKSA-N 250.298 0.741 0 50 CCAA O=C(CSc1ccncc1)N1CCOC[C@@H]1CO 168484700 PWLNLDWPPNSDQP-JTQLQIEISA-N 268.338 0.393 0 50 CCAA COc1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@H]3C(=O)N4)cc2c1 1857671248 BVLSPVNYJHGFTP-ZANVPECISA-N 285.303 0.889 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@@H]2O)n[nH]1 1857735616 HIUSLTWAEIIZLT-MFKMUULPSA-N 289.339 0.046 0 50 CCAA COc1ccc(CCC(=O)N[C@H]2CCOC[C@@H]2O)cc1 629220965 QTUSTMHRMGZGIQ-KBPBESRZSA-N 279.336 0.894 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 238088131 OWTVKOGXEHVKCO-VIFPVBQESA-N 289.291 0.263 0 50 CCAA CN1CCN(CCC(=O)Nc2cccc(F)c2)[C@@H](CO)C1 585116125 HXYCNOFESLCMAJ-CQSZACIVSA-N 295.358 0.763 0 50 CCAA COCCn1nnnc1NC(=O)c1cncc(F)c1 906296697 BDNJJJLKRHATQF-UHFFFAOYSA-N 266.236 0.106 0 50 CCAA Cc1cc(C)n(C[C@@H]2CN(CCC3OCCO3)CCO2)n1 124204890 IBYLKYPBZKCHIF-AWEZNQCLSA-N 295.383 0.964 0 50 CCAA CN1CCN(C[C@H](O)COCc2ccccc2F)CC1 22215486 DCDCICBGUHBQHA-AWEZNQCLSA-N 282.359 0.951 0 50 CCAA Cc1cc(C(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)n[nH]1 310752806 MDOWUORAQCVGKS-APPZFPTMSA-N 251.286 0.901 0 50 CCAA NS(=O)(=O)[C@@H]1CCCN(C(=O)CCc2ccncc2)C1 330512035 KCIPWHOGDIZCDI-GFCCVEGCSA-N 297.380 0.294 0 50 CCAA CC[C@H](NC(=O)c1ccc(C(N)=O)cc1)[C@H](C)O 387269702 LXULYNGBCHHVCG-KWQFWETISA-N 250.298 0.675 0 50 CCAA CC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cnc(OC)nc1 2325803955 MAEGRXWBGVOLHY-SNVBAGLBSA-N 293.327 0.570 0 50 CCAA Cc1cc2c(N3CC(N(C)C4COC4)C3)ncnc2[nH]1 2325820623 MYACGCMQJMUELP-UHFFFAOYSA-N 273.340 0.786 0 50 CCAA CC1(C)C[C@H](CC(N)=O)N(c2ncnc3[nH]cnc23)C1 2325854145 PUKPXWCOYJVFGM-QMMMGPOBSA-N 274.328 0.833 0 50 CCAA O=C([C@@H]1CCCN(C2CCNCC2)C1)N1CCOCC1 82091718 FEHWPSFTLALCEZ-CYBMUJFWSA-N 281.400 0.309 0 50 CCAA O=C(CCN1C(=O)c2ccccc2C1=O)N1CCOCC1 133776 GNGRYCWSWHFJCW-UHFFFAOYSA-N 288.303 0.532 0 50 CCAA CCc1cc2c(=O)n(N)c(CCC(=O)O)nc2s1 446120 ZQPNQSDBCHRUPH-UHFFFAOYSA-N 267.310 0.751 0 50 CCAA O=C(O)[C@]1(CC2CC2)CN(Cc2ncc[nH]2)CC[C@@H]1O 2356168386 BAKFSDDGPWMSHX-SMDDNHRTSA-N 279.340 0.847 0 50 CCAA CCCCN1C[C@@H](C(=O)NCCN2CCOCC2)CC1=O 20018255 KPVZFNVQJQCTPZ-ZDUSSCGKSA-N 297.399 0.083 0 50 CCAA CCC(=O)N1CC[C@H](NC(=O)c2cc(COC)on2)C1 136301933 OWHCWCLTUNILGS-VIFPVBQESA-N 281.312 0.562 0 50 CCAA COCCN1CC[C@@H](CNc2cnc(C(=O)O)cn2)C1 1506425927 SOWYLRPGOODOJE-JTQLQIEISA-N 280.328 0.555 0 50 CCAA CCCCCOCC(=O)N1CC[C@@H](CC(N)=O)C1 377186263 UURIXIYGALHWRR-NSHDSACASA-N 256.346 0.917 0 50 CCAA COc1cccc(N2CCN(C(CO)CO)[C@@H](C)C2=O)c1 65456479 ZQUHHVRCHNDDJC-NSHDSACASA-N 294.351 0.086 0 50 CCAA CCc1cc(N2C[C@@H](C)O[C@@H](CO)C2)nc(C)n1 230007690 LKERERULCXLPGG-BXKDBHETSA-N 251.330 0.933 0 50 CCAA O=S1CCN(c2nnc(-c3ccon3)s2)CC1 328792151 ADHPULICQWIPQF-UHFFFAOYSA-N 270.339 0.762 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(N)=O 36289167 CPJPUIPUSATDEV-UHFFFAOYSA-N 297.380 0.030 0 50 CCAA Cc1ccnc(NC(=O)NC[C@@H]2CNCCCO2)c1 333186510 TTWKVKXFJFBRCB-NSHDSACASA-N 264.329 0.890 0 50 CCAA CO[C@H]1CN(C(=O)c2cccc(C(=O)O)c2)CC[C@H]1N 71405644 KJBVYZRYKUUWQE-NEPJUHHUSA-N 278.308 0.573 0 50 CCAA Cc1noc2ncnc(N3C[C@@H](F)C[C@H]3CO)c12 376754442 RQEQVWSHXRZIIH-YUMQZZPRSA-N 252.249 0.835 0 50 CCAA C[C@@H](C(=O)NC(N)=O)N1CCO[C@@H](c2cccc(F)c2)C1 245405013 RKIGCJSBMNWHBK-JOYOIKCWSA-N 295.314 0.782 0 50 CCAA CC(=O)N[C@H](C(=O)N[C@H](C)[C@H]1CCCO1)C(C)C 240897277 IRTGCTBEHRLKHN-JLLWLGSASA-N 256.346 0.831 0 50 CCAA CN1CCCC[C@H]1CC(=O)NCCc1nccn1C 426368427 YVJHWEFROYAWHF-LBPRGKRZSA-N 264.373 0.953 0 50 CCAA CCc1noc(CNC(=O)N2CC[C@H](NC(C)=O)C2)n1 426634189 MBFWDXDISOWESI-VIFPVBQESA-N 281.316 0.052 0 50 CCAA CC[C@@H](NC(=O)c1nc(N)nc2c1CCCC2)C(=O)O 426581021 MVYQHDQRMQGAAF-MRVPVSSYSA-N 278.312 0.531 0 50 CCAA CC(C)C[C@H](CC(=O)O)NC(=O)c1cncc(=O)[nH]1 426424431 YOFXNQATCGPNKD-MRVPVSSYSA-N 267.285 0.389 0 50 CCAA CCc1ncc(C(=O)N2CCN(C(=O)OC)CC2)cn1 95359515 PPZOBVFMPXRAMM-UHFFFAOYSA-N 278.312 0.563 0 50 CCAA OCCO[C@H]1C[C@@H](O)C12CCN(Cc1ncc[nH]1)CC2 91829396 OFELDZGPWZHVBT-NEPJUHHUSA-N 281.356 0.134 0 50 CCAA Cc1cn(C)[nH]c1=NC(=O)[C@H]1CN(C)C(=O)c2ccccc21 620923054 BNXRMPVMWCLBED-ZDUSSCGKSA-N 298.346 0.958 0 50 CCAA CCCN1CCC(CC(=O)NCc2n[nH]c(N)n2)CC1 95526823 ZYIOBNRITVZJMX-UHFFFAOYSA-N 280.376 0.515 0 50 CCAA CCN1C[C@H](C(=O)NCCn2nc(C)nc2C)CCC1=O 91819488 VKCVYRHMBHORGZ-GFCCVEGCSA-N 293.371 0.270 0 50 CCAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1C[C@@H](O)CO1 91306013 QAMHDOSJGYNQID-LLVKDONJSA-N 259.265 0.825 0 50 CCAA Nc1nnc(CCn2cc(-c3ccc(CO)o3)nn2)s1 91550969 BQDIKJSVEGDRNQ-UHFFFAOYSA-N 292.324 0.707 0 50 CCAA CCc1nccn1CCNC(=O)CN1CCC[C@H](O)C1 230492309 LQFRFCQFHIXJTQ-LBPRGKRZSA-N 280.372 0.018 0 50 CCAA Cn1ncc2c(O)c(C(=O)N[C@@H]3CCCOCC3)cnc21 182348060 RKLFPLYYCWEUBY-SECBINFHSA-N 290.323 0.973 0 50 CCAA O=C(O)c1n[nH]c2c1CN(C[C@@H]1CCCOC1)CC2 244796148 RTZMXEILFPTULU-VIFPVBQESA-N 265.313 0.893 0 50 CCAA CC[C@@H](NC(=O)c1cn(C)c(C)cc1=O)[C@H]1C[C@H](O)C1 244887831 YPHMDHNRDNZFMI-NQBHXWOUSA-N 278.352 0.973 0 50 CCAA CC[C@@]12O[C@H]3[C@H]4C[C@H]([C@H]3O)[C@@H](C(=O)N1C(C)C)[C@H]42 244811824 SLSXWDFLKWDBEQ-CUKPRAPDSA-N 251.326 0.985 0 50 CCAA C[C@@H](C(=O)O)N1CCCC[C@H]1CN1CCOCC1 299739016 JOLKMRRBKHWKAZ-RYUDHWBXSA-N 256.346 0.646 0 50 CCAA CCc1nc(CN2Cc3[nH]cnc3C[C@@H]2C(=O)O)no1 534588259 HFVCTFOAAIAARO-SECBINFHSA-N 277.284 0.367 0 50 CCAA COCC1(C(=O)NCCCN2CCC[C@@H](O)C2)CC1 824347372 ZDNIVGRTXRLLIA-GFCCVEGCSA-N 270.373 0.376 0 50 CCAA Cc1ccc(C(=O)NCCCN2CCC[C@@H](O)C2)c(O)n1 828627460 YJAKGJYKSBJKIS-GFCCVEGCSA-N 293.367 0.672 0 50 CCAA O=C(Cc1cccc(F)c1)NC[C@H]1C[C@H](C(=O)O)C[C@H]1O 585134978 RLFQSYGOBZTTSW-DMDPSCGWSA-N 295.310 0.956 0 50 CCAA CN(Cc1cc(C2CC2)on1)C(=O)CS(C)(=O)=O 584884651 YOHPYYYIXXUDPG-UHFFFAOYSA-N 272.326 0.555 0 50 CCAA COCCC1CCN(C(=O)CN2CC[C@H](N(C)C)C2)CC1 584892439 LVECRAQQIHNUTO-HNNXBMFYSA-N 297.443 0.897 0 50 CCAA O=C1OCC2(CCN(C(=O)[C@@H]3CC34CCNCC4)CC2)O1 584885515 HYYOHUQCWAYATO-NSHDSACASA-N 294.351 0.904 0 50 CCAA NC1(C(=O)NCCCN2CCC[C@@H](CO)C2)CCCC1 670449259 QMXBRYLOAWEWHN-CYBMUJFWSA-N 283.416 0.469 0 50 CCAA NC(=O)N1CCC[C@H](C(=O)N2CCCc3n[nH]cc32)C1 1875265397 QNDQPYSTHPJJLB-VIFPVBQESA-N 277.328 0.480 0 50 CCAA COc1ncnc(N2CCN3C(=O)CC[C@H]3C2)c1OC 1875279032 UWFRISVAZAPGQR-VIFPVBQESA-N 278.312 0.305 0 50 CCAA CC1=C(C(=O)NCCCN2CCOCC2)OCCO1 952970594 TYSJPCRHWHGOTQ-UHFFFAOYSA-N 270.329 0.103 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)NCc2cncn2C)C1=O 886078480 VIHUVMDNPOUKHU-GFCCVEGCSA-N 294.355 0.064 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cnc(C2CC2)[nH]1 888093103 RONWRPDXWJJZQH-CBAPKCEASA-N 262.313 0.684 0 50 CCAA COC(=O)CN1C[C@]23CCCC[C@@]2(CN(C)C3)C1 1336888120 BRPKLPCMXJSWNS-ZIAGYGMSSA-N 252.358 0.967 0 50 CCAA CC(C)[C@@H](CO)ONC(=O)[C@@H]1CCCn2ncnc21 1468342957 HIYOMZFIGQTUEZ-NXEZZACHSA-N 268.317 0.220 0 50 CCAA CN(C)C(=O)NCc1cn(CCc2ccccn2)nn1 899706966 RQICNGAGSQWOLW-UHFFFAOYSA-N 274.328 0.687 0 50 CCAA C/C=C/C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C(=O)OCC 170081418 QRVWJIZMWCMFEY-UQRCUPDISA-N 282.340 0.527 0 50 CCAA Cn1ccnc1[C@H]1OCC[C@@H]1NS(=O)(=O)C1CC1 408025857 DWZCQVIUQKBQEK-UWVGGRQHSA-N 271.342 0.332 0 50 CCAA C[C@@H]1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)C[C@@H]1O 408187802 AFYBAESXTSMUIJ-UHIISALHSA-N 268.357 0.665 0 50 CCAA COc1cc(C)nc(N2CCS(=O)(=O)CC2)n1 408181792 GDBRBRTVPTUFAS-UHFFFAOYSA-N 257.315 0.028 0 50 CCAA NC(=O)[C@H]1CCN(C(=O)c2ccc(Br)cn2)C1 218029886 IWWLQWCJRMDSSG-ZETCQYMHSA-N 298.140 0.792 0 50 CCAA Cc1nocc1CN1CCC[C@](O)(CC(=O)N(C)C)C1 643752561 PWIOCEUWXGWOPE-AWEZNQCLSA-N 281.356 0.788 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1nn(C)cc1C 643947125 SGYXBLZVINWAHV-AWEZNQCLSA-N 294.355 0.096 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1ccoc1 643944889 QFJLWMIRNRABTO-LBPRGKRZSA-N 252.270 0.386 0 50 CCAA CCCCCOCC(=O)N1CCC(=O)N(C)CC1 585113786 MWEVWSFFZFHOGT-UHFFFAOYSA-N 256.346 0.884 0 50 CCAA CCc1cc(O)nc(CN2CCS(=O)(=O)C[C@H](C)C2)n1 192117456 ZDBALPUMVYVZQQ-SNVBAGLBSA-N 299.396 0.611 0 50 CCAA CCc1nnc(CN2Cc3ccccc3C[C@H]2C(N)=O)n1C 195030714 WXWPRCCGFVUAIK-ZDUSSCGKSA-N 299.378 0.790 0 50 CCAA C[C@H]1CCCN(CC(=O)NCC2CCN(CCO)CC2)C1 1506404714 REDPZGCZNVCISD-AWEZNQCLSA-N 297.443 0.539 0 50 CCAA O=S(=O)(N1CCCCC1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 1506408328 RHWQBBWAHBKGML-GDNZZTSVSA-N 274.386 0.705 0 50 CCAA Cn1nc(C(=O)N2C[C@H]3C[C@@H](O)C[C@H]3C2)nc1Cl 1857702342 JPLUOMWZUHKQAG-RNLVFQAGSA-N 270.720 0.311 0 50 CCAA COc1ncc(C)cc1NC(=O)CN1CCOCC1 118956965 DUJSOGNTEIEGBB-UHFFFAOYSA-N 265.313 0.669 0 50 CCAA NC(=O)NCCC(=O)N1CCN(c2cccs2)CC1 134613647 HCTYMSAUSBDIKA-UHFFFAOYSA-N 282.369 0.455 0 50 CCAA C[C@@H]1CN(C(=O)CCOC2CCOCC2)C[C@@H](C)N1 153712899 WKCZLNPGDFVTCC-VXGBXAGGSA-N 270.373 0.781 0 50 CCAA CN(C)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N1C(=O)c1cccn1C 1615588502 BQEXFCFQKUWQDD-WXHSDQCUSA-N 291.351 0.485 0 50 CCAA C[C@H](CO)N[C@H]1C[C@H]2CN(Cc3ccccc3)CCN2C1 1615571907 PXZYVNGLLQNYGR-PVAVHDDUSA-N 289.423 0.916 0 50 CCAA O=C1CO[C@@]2(CCN(C(=O)c3c[nH]c4ccccc34)C2)CN1 1772808570 UIIBEQBGZHSWAU-INIZCTEOSA-N 299.330 0.899 0 50 CCAA CN1C(=O)NCC12CN(c1ccc(-c3nccn3C)nn1)C2 1857700226 DUNDYZHGJNQNMT-UHFFFAOYSA-N 299.338 0.091 0 50 CCAA CN(Cc1nccs1)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1 1857722190 QQOUEEKYYLQOIH-CIUDSAMLSA-N 255.343 0.200 0 50 CCAA CN1CCO[C@@H](C(=O)N(C)C[C@@H]2CCc3nccn3C2)C1 328623152 IYFVVQYTPPMZQJ-QWHCGFSZSA-N 292.383 0.235 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1noc(C2CC2)n1 643825736 XYMRVEHMEMADFT-ZDUSSCGKSA-N 280.328 0.413 0 50 CCAA C[C@@H]1CN(C(=O)CN2CCC[C@H]2C(=O)O)C[C@@H](C)O1 237421529 JXHYIINDEUDTJJ-MXWKQRLJSA-N 270.329 0.171 0 50 CCAA Cc1cc(C)cc(N2CC[C@H](C(=O)NCC(=O)O)C2=O)c1 237837149 TVOUIEWPGYTOBX-GFCCVEGCSA-N 290.319 0.857 0 50 CCAA C[C@H]1CN(C(=O)Cn2ncsc2=O)CC(C)(C)O1 901537847 QFAGZABPGGBPCL-QMMMGPOBSA-N 271.342 0.331 0 50 CCAA CCc1nc[nH]c1C(=O)N1CCCNC(=O)[C@@H]1C 1120000874 BEMGQSXAASUINM-QMMMGPOBSA-N 250.302 0.323 0 50 CCAA Cn1ncnc1CN=c1[nH]c(Cl)nc2[nH]ccc12 1875272113 GGJPKCARXSJGDZ-UHFFFAOYSA-N 263.692 0.774 0 50 CCAA O=C(NC[C@@H]1CCCNC1)c1ccn2cnnc2c1 97527170 ULAHFLXQJKKGGU-SNVBAGLBSA-N 259.313 0.459 0 50 CCAA CCc1nc(CN2CCN3C(=O)OC[C@@H]3C2)no1 366298523 QFHOLYVNMFQRPF-QMMMGPOBSA-N 252.274 0.268 0 50 CCAA CN(CCc1ncon1)C(=O)c1cc(O)cc(=O)o1 2325821411 MPXRVIVFSAYUCF-UHFFFAOYSA-N 265.225 0.043 0 50 CCAA CCCn1cc(C(=O)NC[C@H](C)c2nc(=O)o[nH]2)c(C)n1 2325850201 OWSQYCXZFOQAKX-QMMMGPOBSA-N 293.327 0.811 0 50 CCAA Cc1[nH]nc(C(=O)NCc2cnn(C)c2N)c1Cl 2325865549 HBSQOAQNZNJBFD-UHFFFAOYSA-N 268.708 0.617 0 50 CCAA CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC 1648322 DOOTYTYQINUNNV-UHFFFAOYSA-N 276.285 0.187 0 50 CCAA endogenous,in-man Cn1cnc2nc(=NCc3cc(C4CC4)n[nH]3)[nH]cc21 2356139761 WWRFYVVXEBDJRM-UHFFFAOYSA-N 269.312 0.998 0 50 CCAA CN1CCN(C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)CC1 7999635 UOVMFIQDEOSINK-IRCOFANPSA-N 264.325 0.283 0 50 CCAA CC(C)[C@H]1OCC[C@H]1C(=O)NCCNC(=O)N(C)C 225494000 KICNXCYHQUCNMF-GHMZBOCLSA-N 271.361 0.435 0 50 CCAA Cn1c(=O)c2c(nc3n(C)c(C(C)(C)C)cn23)n(C)c1=O 10233758 PXHLOCCTRLMVEA-UHFFFAOYSA-N 289.339 0.521 0 50 CCAA CCN1CCCC[C@H]1CNC(=O)CCS(C)(=O)=O 111636006 FNJPHIKVJVGTLN-NSHDSACASA-N 276.402 0.412 0 50 CCAA O=c1[nH]nc(CCCO)n1-c1ccc2c(c1)OCO2 65365946 YQKRWRCXKITAFO-UHFFFAOYSA-N 263.253 0.214 0 50 CCAA CC[C@H]1CN(C(=O)COC(C)C)CCN1C[C@H](C)O 330691375 QVXAJGSKXRWXCO-STQMWFEESA-N 272.389 0.715 0 50 CCAA C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nc(=O)[nH][nH]1 215790732 DBDJMZNYBJYADZ-ZCFIWIBFSA-N 276.252 0.318 0 50 CCAA O=C(CO)NC[C@@H]1CCCN(CCC(F)(F)F)C1 67974220 QHKYDDOSPKWFDM-VIFPVBQESA-N 268.279 0.759 0 50 CCAA Cc1c[nH]c(CN2CCOC[C@@H](O)C2)c(C)c1=O 77489947 SNBVHKLPIUOWMY-NSHDSACASA-N 252.314 0.185 0 50 CCAA N[C@H]1CC[C@@H](C(=O)NCCNC(=O)c2ccncc2)C1 215610458 HERZRNJXFUAEJM-NEPJUHHUSA-N 276.340 0.055 0 50 CCAA COCCn1nnc2c1CCN(C[C@H]1CC[C@H](C)O1)C2 328801083 ZASRKBLLHIVQIL-NWDGAFQWSA-N 280.372 0.850 0 50 CCAA C[C@H]1CNCCN1C(=O)c1ccn([C@H]2CCCNC2)n1 261664296 BGIOAFMJMIPGAI-RYUDHWBXSA-N 277.372 0.242 0 50 CCAA CCN1CCOC[C@H]1C(=O)NCCCn1nc(C)cc1C 372837820 DFONQSCPNGAMRS-AWEZNQCLSA-N 294.399 0.727 0 50 CCAA CC(C)CN1C(=O)CC[C@H]2CN(C(CO)CO)CC[C@H]21 72439519 OPERRYYTSABGOA-GXTWGEPZSA-N 284.400 0.309 0 50 CCAA COCC[C@@H](C)S(=O)(=O)N[C@H]1CCCNC1 240412870 FOLGPBXBBJWGAF-ZJUUUORDSA-N 250.364 0.083 0 50 CCAA C[C@H](C(=O)NCCCNc1cccnc1)N(C)C 426428670 ABJTUBYGFVLWMW-LLVKDONJSA-N 250.346 0.950 0 50 CCAA COc1ncc(C(=O)N(C)C[C@H]2CCCO2)cn1 426693728 LMMRYEBLINHMKZ-SNVBAGLBSA-N 251.286 0.736 0 50 CCAA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1cccnc1 223640298 IVYWXCJLEMYFNF-ZIAGYGMSSA-N 293.367 0.547 0 50 CCAA CCc1nc(C)sc1CNC(=O)CN(C)C(N)=O 426388024 SWQZYANIDHYSJA-UHFFFAOYSA-N 270.358 0.641 0 50 CCAA COc1cc2c(cc1C(=O)N1CCNC[C@@H](O)C1)CCC2 97632037 KXUXQHKGCCPYHD-CYBMUJFWSA-N 290.363 0.590 0 50 CCAA O=C1NN=C2[C@H]3CC[C@H]4C[C@@]12C[C@@]1(C3)C(=O)NN=C41 239339203 LVLBUIMRFDYDOZ-OJAMJJRASA-N 258.281 0.155 0 50 CCAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCOC[C@H]1CO 91665581 XBSIQOVDUQMXAY-SNVBAGLBSA-N 288.303 0.361 0 50 CCAA COCCC[C@@]1(C(=O)O)CCCN(CC(N)=O)C1 92062293 ABBDHNNDVILWNM-LBPRGKRZSA-N 258.318 0.065 0 50 CCAA O=C(NCC1(C(=O)O)CC1)c1cnn2cccnc12 621571858 QJWWYOROJYKEBZ-UHFFFAOYSA-N 260.253 0.324 0 50 CCAA CN1C(=O)C[C@H](C(=O)NCCc2nccn2C)C1(C)C 244718987 LUQVNGHMMYSDNM-SNVBAGLBSA-N 278.356 0.336 0 50 CCAA COC(=O)C1=C(C(=O)OC)[C@H]2O[C@H]1[C@H]1[C@H]2[C@H]2CC[C@H]1O2 254874332 WTLDTKSKWKRNQO-BXFOQMFVSA-N 280.276 0.204 0 50 CCAA CC(=O)N1CCCN(Cc2noc([C@H]3CCCO3)n2)CC1 252505490 VRYPIIKRNHUPOO-GFCCVEGCSA-N 294.355 0.975 0 50 CCAA NC(=O)[C@@H](O)C1CCN(CCc2ccccc2F)CC1 299741491 FGKFWDCCUSBTKK-AWEZNQCLSA-N 280.343 0.926 0 50 CCAA C[C@@H](Cn1ccnc1)NCC1(CN2CCOCC2)CC1 534590732 HEHFKLWAHYTOEQ-AWEZNQCLSA-N 278.400 0.974 0 50 CCAA CCOc1ncccc1C(=O)NCCn1ccnn1 534661989 MBWNPEUEZCOHSE-UHFFFAOYSA-N 261.285 0.502 0 50 CCAA C[C@H](NS(=O)(=O)N1CCCCC1)c1cnn(C)c1 266140087 CMINJHGSFYXFKV-JTQLQIEISA-N 272.374 0.801 0 50 CCAA Nc1n[nH]c(CNC(=O)[C@H]2CCc3ccccc32)n1 534584103 RSONOWSHBQSVMD-JTQLQIEISA-N 257.297 0.733 0 50 CCAA Cc1cc(O)cc(C(=O)NC[C@H]2CCCN(CCO)C2)n1 299797005 RQAIWSFNCLJISR-GFCCVEGCSA-N 293.367 0.530 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1cccc2c1CCC2=O 824506714 OHJFQPUIWGGERN-JSGCOSHPSA-N 275.304 0.959 0 50 CCAA CN(C)[C@H]1CCN(C(=O)CCCN2CCCC2=O)C1 823662648 UOBZLPJRUADHTM-LBPRGKRZSA-N 267.373 0.552 0 50 CCAA CCC1CCN(CCNC(=O)C2(CO)CC2)CC1 584894362 LITDOPWSMPKUSX-UHFFFAOYSA-N 254.374 0.997 0 50 CCAA O=S(=O)(NCc1ccc2nc(O)[nH]c2c1)N1CCCC1 670437772 ZAIOWTIDFSDDGL-UHFFFAOYSA-N 296.352 0.699 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)c2ccns2)CC1 1548480385 JYPYZYRPPVKXPS-UHFFFAOYSA-N 289.382 0.251 0 50 CCAA CCn1cc(CNC(=O)N2C[C@H](N)C3(CCC3)C2)cn1 1553489801 XTDVTYBXMMMSTG-LBPRGKRZSA-N 277.372 0.926 0 50 CCAA CCn1nnc(C)c1CN1CCC[C@H](NC(=O)NC)C1 952993883 LFKZMYYWTWZYBL-NSHDSACASA-N 280.376 0.500 0 50 CCAA CO[C@H]1COCC[C@H]1N(C)CC(=O)N1CCCC1 880425482 OMFWYVITZVLRDL-NEPJUHHUSA-N 256.346 0.345 0 50 CCAA Cc1nn[nH]c1NC(=O)CN1CCc2ccccc2C1=O 892887976 XLOCGSHYSCFVBM-UHFFFAOYSA-N 285.307 0.750 0 50 CCAA Cc1c[nH]cc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 888094473 TWYOPTKFABGHFN-QWHCGFSZSA-N 290.323 0.633 0 50 CCAA CN(C)C(=O)CCN(Cc1nccn1C)C1CC1 244873123 WKLPRBPWBLXDGP-UHFFFAOYSA-N 250.346 0.863 0 50 CCAA CC1CC(CNC(=O)[C@]23CNC[C@H]2CCOC3)C1 1354356764 GPOQNJXFPWDBQZ-YZVRNYIASA-N 252.358 0.775 0 50 CCAA CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1CC(=O)NC1=O 1776000044 OCZYFSWFZCTIPT-UWVGGRQHSA-N 294.282 0.514 0 50 CCAA COCc1cn(-c2ncc(Br)cn2)nn1 899717598 BPXXJJNDPCPXKV-UHFFFAOYSA-N 270.090 0.966 0 50 CCAA CN(C)C[C@@]1(O)CCCN(c2ncnc3[nH]ccc23)C1 631343260 ABRWPKCEZRRXCW-AWEZNQCLSA-N 275.356 0.851 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)Nc1cncnc1 408254279 MBJTYXYMQHTMCE-SECBINFHSA-N 252.299 0.337 0 50 CCAA COc1ccc(C(=O)N[C@H](C(=O)O)C2CCOCC2)cn1 668312544 YRKKJUIJNPWHDR-LBPRGKRZSA-N 294.307 0.700 0 50 CCAA C[C@@H]1CN(C(=O)c2cccnc2)CCN1CC(C)(C)O 170602682 WOZVMHCYMFKPLG-GFCCVEGCSA-N 277.368 0.999 0 50 CCAA O=C(COCC1CC1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 583620431 NXLUGJQHRMKNHV-MCIONIFRSA-N 283.368 0.801 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2conc2C)C1 643757522 ODYHZZYNXAYHCR-CYBMUJFWSA-N 267.329 0.446 0 50 CCAA C[C@@H]1CCC[C@H](CNC(=O)c2ccc3c(c2)B(O)OC3)O1 585008955 ZEVHZAPUIOWMIZ-ZWNOBZJWSA-N 289.140 0.592 0 50 CCAA CS(=O)(=O)CCNCc1ccccc1OCCO 1506412921 PPWHEQVXJQMQMH-UHFFFAOYSA-N 273.354 0.192 0 50 CCAA O=C1CN(C(=O)CC[C@@H]2CCCN3CCCC[C@H]23)CCN1 1506400734 GOXWGGSEVGCIIV-UONOGXRCSA-N 293.411 0.990 0 50 CCAA COC(Cn1ccc2oc(=O)cc(C)c2c1=O)OC 1547139585 UPVLZSMQSONWLL-UHFFFAOYSA-N 265.265 0.882 0 50 CCAA CC1=C(C(=O)NCCC(F)(F)F)Cn2nnnc2N1C 239672603 BTZXROQHHCICSQ-UHFFFAOYSA-N 290.249 0.466 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)[C@H](C)C1CCOCC1 1614564447 KVIWTEZRGJVURB-ADEWGFFLSA-N 256.346 0.152 0 50 CCAA COC(=O)[C@H](Cc1ccc(N(C)C)cc1)NC(C)=O 169620379 OCFBTMWOSFKWMI-ZDUSSCGKSA-N 264.325 0.973 0 50 CCAA Cc1cn2nc(C(=O)NCc3ccco3)cc2c(=O)[nH]1 169768593 MRENOFHOLMRLKI-UHFFFAOYSA-N 272.264 0.854 0 50 CCAA Cc1cccn2ncc(C(=O)N3C[C@@H]4CC(=O)N[C@@H]4C3)c12 1857678429 YBUPWBJPTGEBBS-CMPLNLGQSA-N 284.319 0.603 0 50 CCAA COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCNC2)cc1 225425311 GGRDMXOOUFLSFL-JTQLQIEISA-N 299.352 0.505 0 50 CCAA CC[C@H]1C(=O)NCCN1CCOc1ccccc1C(=O)O 113218887 YXNXEPTVFDHZBE-LBPRGKRZSA-N 292.335 0.974 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cn(C(C)C)nn1 643765873 KZFVLRHXZXLZBM-CQSZACIVSA-N 295.387 0.586 0 50 CCAA C[C@@]1(C(=O)O)CCCN1Cc1ncnn1CCF 652481029 ZAETZPBNKCXDIO-NSHDSACASA-N 256.281 0.687 0 50 CCAA O=C(O)c1ccccc1CN1CC[C@@H](O)C[C@H]1C(=O)O 247747066 RPKGADZAXLZIJJ-PWSUYJOCSA-N 279.292 0.795 0 50 CCAA NC(=O)C[C@H]1CCCCN1c1nccn2cnnc12 678612690 KAGRFWSUGJFTHT-SECBINFHSA-N 260.301 0.359 0 50 CCAA O=C(NCc1cnn2ccccc12)NC[C@H](O)C1CC1 573353487 AMHUHCXVBBSWDO-ZDUSSCGKSA-N 274.324 0.904 0 50 CCAA C[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 820709675 KXNIXEXHLAQGLI-QMMMGPOBSA-N 258.285 0.886 0 50 CCAA C=CC(=O)N1CCCN(CC(=O)N(CC)CC)CC1 834392775 RGPCDUGQXDMSMH-UHFFFAOYSA-N 267.373 0.575 0 50 CCAA COC[C@H](O)CN1CCN(C)CC12CCCCC2 110666515 VXUXFWVITGYHSJ-CYBMUJFWSA-N 256.390 0.944 0 50 CCAA COc1ccnc(N2CCN([C@@H](C)C(=O)O)CC2)c1 237358689 ASYWZTISVMYWNV-JTQLQIEISA-N 265.313 0.685 0 50 CCAA NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)C1 292069618 XCVGDFRPKBKZRB-RMIALFOJSA-N 264.325 0.037 0 50 CCAA NCC1(O)CCN(c2nccc3cccnc23)CC1 716908842 UVPLGKFQGMWCQC-UHFFFAOYSA-N 258.325 0.920 0 50 CCAA CC(C)c1c[nH]nc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 2325825873 GDJPXPTXWXRVSP-SECBINFHSA-N 291.315 0.260 0 50 CCAA Cc1ccc(S(=O)(=O)NCC(=O)O)c2nsnc12 192197 MLMBKZSBMZUMBA-UHFFFAOYSA-N 287.322 0.363 0 50 CCAA Cc1ccc(NN[C@@H]2CC(=O)N(N(C)C)C2=O)cc1 289716 DNYDRXZHNAOSLL-LLVKDONJSA-N 262.313 0.516 0 50 CCAA CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1C 2884398 DVSBQCMJHAMSPO-UHFFFAOYSA-N 288.267 0.926 0 50 CCAA Cc1nccn1CC(=O)N1CCN(C2CC2)C[C@H]1C 2356163662 MRGAEKQTNFLBGY-LLVKDONJSA-N 262.357 0.887 0 50 CCAA O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 3881372 XGVJWXAYKUHDOO-DANNLKNASA-N 287.315 0.749 0 50 CCAA biogenic,in-vitro Cc1ccc(CN2CCN(CCO)C[C@H]2CCO)cc1 104555374 UODMAAHWJBJGTE-MRXNPFEDSA-N 278.396 0.856 0 50 CCAA CN1CCN(Cc2ccncc2F)C[C@@H]1CCO 20204544 VTQGKEJNLAYQFW-LBPRGKRZSA-N 253.321 0.719 0 50 CCAA COC(=O)CNC(=O)CCN1CCO[C@@H]2CCCC[C@H]21 230208223 LUHLDCGYGQPPIW-VXGBXAGGSA-N 284.356 0.309 0 50 CCAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)cn2)C1 62870653 KOLHWBXNABZCJT-AWEZNQCLSA-N 293.323 0.877 0 50 CCAA O=C(Nc1ccn([C@H]2CCNC2)n1)[C@@H]1CSCCS1 328635115 UMIJYZDVABDXFB-UWVGGRQHSA-N 298.437 1.205 0 50 CCAA CN(C)[C@@H]1[C@@H](NC(=O)CCc2ccccn2)[C@H]2CCO[C@H]21 219616997 WOYHODLAQXCALO-SLBVQIDZSA-N 289.379 0.848 0 50 CCAA Cc1noc(C)c1C(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)O 72477016 ZPQHZGYUBBKXKA-LLVKDONJSA-N 290.279 0.839 0 50 CCAA COCCN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCCO1 215921651 OBYFUJUJURIHMD-ZDUSSCGKSA-N 281.356 0.964 0 50 CCAA O=C(c1ccc2c(c1)CCNC2)N1CCC[C@](O)(CO)C1 72129485 KHWUMJKVPQIMRV-MRXNPFEDSA-N 290.363 0.292 0 50 CCAA CCCCOCC(=O)N1CCO[C@@]2(CNCCOC2)C1 72166742 SRLPZBLKSDJKPH-AWEZNQCLSA-N 286.372 0.021 0 50 CCAA C[C@@H]1CCO[C@H]1C(=O)NCCn1c(S)nnc1C1CC1 152724025 IXKHKGHCJRCOHF-PSASIEDQSA-N 296.396 0.985 0 50 CCAA O=C(NC[C@H](O)C1CCOCC1)[C@@H]1C[C@@H]1C1CC1 333165678 OPLUTZKFYXIHGM-UPJWGTAASA-N 253.342 0.936 0 50 CCAA O=C(N[C@H](C(=O)O)[C@H]1CCCOC1)C1CC=CC1 262854349 UOCLVRCNAXUZAD-QWRGUYRKSA-N 253.298 0.949 0 50 CCAA O=C(c1cc(C2CC2)on1)N1CCc2c(nc[nH]c2=O)C1 71748446 XOKXYDHOTRKALN-UHFFFAOYSA-N 286.291 0.834 0 50 CCAA C[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1C(N)=O 284798656 JOUJPFCEGBUAJT-GMSGAONNSA-N 251.261 0.414 0 50 CCAA OC[C@H]1CCN(c2noc(-c3ccccc3)n2)C[C@@H]1O 72165381 FHNZINKVFXQCCQ-NEPJUHHUSA-N 275.308 0.916 0 50 CCAA CN(CC(=O)NC[C@@H]1CCOC1)Cc1ccncc1 223937210 QFZIMBFJBUSRNJ-ZDUSSCGKSA-N 263.341 0.666 0 50 CCAA O=C(CCn1cncn1)N[C@H]1COc2ccccc2C1 194459213 FXVMIQCVCDYUSM-GFCCVEGCSA-N 272.308 0.788 0 50 CCAA O=C([C@@H]1CCCCn2nnnc21)N1CC(c2ccccn2)C1 97288678 HMJDKNBTMIEKQM-GFCCVEGCSA-N 298.350 0.962 0 50 CCAA Cc1ccn2c(C(=O)N[C@@H]3CCNC3=O)c(C)nc2c1 426683977 VSRKCYBZEUQQSJ-SNVBAGLBSA-N 272.308 0.569 0 50 CCAA Cc1nccnc1CCNS(=O)(=O)c1cccnc1 293939256 ZOLKJGXMJBTFEC-UHFFFAOYSA-N 278.337 0.701 0 50 CCAA C[C@H]1CCCN(C(=O)c2cccn(C)c2=O)[C@H]1CN 299740423 ZQANFYLYJILWLC-JQWIXIFHSA-N 263.341 0.585 0 50 CCAA O=C(COC[C@H]1CCCCO1)NCCc1c[nH]cn1 252480250 BZAYVPQAABVARN-GFCCVEGCSA-N 267.329 0.654 0 50 CCAA CN(C)C[C@H](O)CNC(=O)c1cccc2c1CCC2=O 534581890 YZXLMXKAHHDAQZ-SNVBAGLBSA-N 276.336 0.468 0 50 CCAA Cn1cnc(S(=O)(=O)N[C@H](c2nccn2C)C2CC2)c1 534637046 HKCPJVWSIVMYOV-NSHDSACASA-N 295.368 0.583 0 50 CCAA O=C(CCn1cccc1)NCCN1CCC[C@H](CO)C1 299762168 LNLOBJYJANLKJT-AWEZNQCLSA-N 279.384 0.699 0 50 CCAA Cc1csc(S(=O)(=O)NCC[C@H](O)CO)c1 584892890 BRZQOYSGQJRBJD-QMMMGPOBSA-N 265.356 0.078 0 50 CCAA C[C@H](NC(=O)c1nc[nH]n1)c1ccc2c(c1)CC(=O)N2C 269402426 BUBWMIHSTKNNPR-QMMMGPOBSA-N 285.307 0.815 0 50 CCAA c1n[nH]cc1O[C@@H]1COC[C@@H]1NCc1cc2n(n1)CCC2 685940988 NCYPPJMUXDUUMK-UONOGXRCSA-N 289.339 0.488 0 50 CCAA C[C@@H](NC(=O)c1n[nH]c(=NC2CC2)o1)c1nccn1C 1875282105 NDSNEDUCFFIVOP-SSDOTTSWSA-N 276.300 0.290 0 50 CCAA CN[C@H](C)CNC(=O)NCCn1ncc2ccccc21 1875274072 FPASCOYRMXPHDV-LLVKDONJSA-N 275.356 0.943 0 50 CCAA O=S(=O)(N1CCCCCC1)N1CC[C@@H]2CCNC[C@@H]21 1875268547 LHEIECBSTBFUEV-STQMWFEESA-N 287.429 0.791 0 50 CCAA NCc1ccc(CNC(=O)c2ccc(C(N)=O)[nH]2)cc1 1875339745 WNWWTPGKTMGVLL-UHFFFAOYSA-N 272.308 0.502 0 50 CCAA C[C@@H]1CNC(=O)CN1Cc1ccc(-n2cccn2)nc1 1875322773 HOHYITIRNGUAGM-LLVKDONJSA-N 271.324 0.588 0 50 CCAA CNC(=O)[C@H]1CCCN1Cc1ccnc(OC)c1F 891727909 HAWSIGBCTOGAKE-SNVBAGLBSA-N 267.304 0.940 0 50 CCAA O=C(O)[C@H]1[C@H]2CN(C(=O)CCc3ncc[nH]3)CC[C@H]21 1332646505 LQWMPHPHVMLFPD-VDDIYKPWSA-N 263.297 0.521 0 50 CCAA CC(C)(NC(=O)[C@@H]1CC[C@H](C(=O)O)C1)c1nnc(N)s1 1565528660 BXVHHYAULJCSSR-RQJHMYQMSA-N 298.368 0.973 0 50 CCAA Cn1nccc1S(=O)(=O)NCc1cn2c(n1)CCCC2 274096532 AUNLJORAKMHZKE-UHFFFAOYSA-N 295.368 0.431 0 50 CCAA Cn1ccnc(N2CCC[C@@H](N[C@H]3CCOC3)C2)c1=O 275486419 ISCSAHZJBBJRON-NEPJUHHUSA-N 278.356 0.128 0 50 CCAA O=C1C[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)CN1 408152005 ZGJAWBSFVAPJRT-VIFPVBQESA-N 293.289 0.265 0 50 CCAA O=C1CN(C(=O)c2c[nH]nc2-c2ccncc2)CCCN1 726801552 XVWPCNYKRFUNQO-UHFFFAOYSA-N 285.307 0.434 0 50 CCAA COC(=O)[C@H](C)CN1CCO[C@H](c2nc(C)n[nH]2)C1 170616861 RRELXGGZBYJMJK-SCZZXKLOSA-N 268.317 0.296 0 50 CCAA Nc1ncnc(NC[C@H](CO)[C@@H]2CCOC2)c1Cl 281132761 YYSQPPWHENDMOH-HTQZYQBOSA-N 272.736 0.769 0 50 CCAA CC1(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)COC1 583620219 CUPOCRLFZSEMRY-RNFRBKRXSA-N 280.246 0.145 0 50 CCAA CN(C)[C@H]1CCC[C@@H]1Nc1nc(O)c2cnn(C)c2n1 682236807 RNNYSZBGXHWVFH-UWVGGRQHSA-N 276.344 0.964 0 50 CCAA CCO[C@H]1C[C@](O)(CNC(=O)c2ccon2)C1(C)C 191734985 MHCHAIQCQHSLTR-GWCFXTLKSA-N 268.313 0.971 0 50 CCAA C[C@@H]1CCS(=O)(=O)CCN1Cc1ccc(C(N)=O)cc1 192058227 WACHOPDJSGGGLC-LLVKDONJSA-N 296.392 0.795 0 50 CCAA CN1CCC[C@H]1C(=O)N1CCN(C[C@@H]2CCC=CO2)CC1 194043995 UTTGSEWWVPDYPQ-GJZGRUSLSA-N 293.411 0.918 0 50 CCAA C[C@@H](CNC(=O)N[C@@H]1C[C@H](C)n2ncnc21)N(C)C 661274175 FOHLHTXGZRGHPF-LPEHRKFASA-N 266.349 0.533 0 50 CCAA O=C(Nc1cnn2c1NCCC2)c1cc2ncccn2n1 1506406668 NSSAZIRBNRSIKG-UHFFFAOYSA-N 283.295 0.994 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)c2ccc(CO)cc2)C[C@H]1O 1704298769 KAZCJLHTKYSUIV-NWDGAFQWSA-N 279.292 0.087 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H]2CNS(=O)(=O)[C@@H]2C1 110915476 REYRCSJRCYPTTR-HTQZYQBOSA-N 262.331 0.155 0 50 CCAA C[C@H](O)CN1CCC(CN[C@H]2C[C@@H](C)OC2=O)CC1 229446778 HWLQYKXTLMQJCE-LOWVWBTDSA-N 270.373 0.373 0 50 CCAA Cc1ccc(S(=O)(=O)NCc2nnn(C)n2)cc1F 331097527 DBBZJWYDTQXHPY-UHFFFAOYSA-N 285.304 0.136 0 50 CCAA O=S(=O)(c1cncc(Cl)c1)N1C[C@@H](F)C[C@H]1CO 372429764 XTEUWNYNVVGWJV-IUCAKERBSA-N 294.735 0.828 0 50 CCAA CCn1cnnc1CCNC(=O)c1onc2ncccc12 1775982674 CIMANBVJNUXVMZ-UHFFFAOYSA-N 286.295 0.807 0 50 CCAA CNC(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)O)cn1 648354753 YTYUFIUFZUPRMY-ZJUUUORDSA-N 291.307 0.424 0 50 CCAA CN1CCC([C@@H]2CCN(C(=O)Cc3cnnn3C)C2)CC1 612998934 FJRJPHNKZKFTIW-CYBMUJFWSA-N 291.399 0.548 0 50 CCAA CC(=O)N[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 332700381 VBSINVZHGQXPLK-JGVFFNPUSA-N 291.307 0.869 0 50 CCAA CN(C)C(=O)CN1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 247941273 AAKYNQMNXQJNAM-OLZOCXBDSA-N 276.336 0.875 0 50 CCAA C[C@H](C(=O)N[C@H]1CCCCN(CC(=O)O)C1=O)C1CC1 902435793 FPCQGECKEFWRHQ-ONGXEEELSA-N 282.340 0.614 0 50 CCAA O=C1C[C@H](CCNC(=O)c2cnn3c2CCCC3)CN1 831962872 RWLOUOUCTWKHPS-JTQLQIEISA-N 276.340 0.475 0 50 CCAA CCO[C@@H]1COC[C@H]1NC(=O)[C@@H](C)c1cnn(C)c1 1120656937 ZNBRHYAJAIILRT-MVWJERBFSA-N 267.329 0.444 0 50 CCAA CCCN(CC(=O)O)C(=O)c1cccn(C)c1=O 262418199 ZSSMAPAZXPAZGK-UHFFFAOYSA-N 252.270 0.322 0 50 CCAA Cn1nccc1CCNC(=O)c1ccc2[nH]nnc2c1 183773624 JEEFASSGUSUJFS-UHFFFAOYSA-N 270.296 0.664 0 50 CCAA CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccco2)C1 408026805 HAJCAZDEMZWEGD-IUCAKERBSA-N 261.299 0.050 0 50 CCAA NCC[C@@H]1CN(C(=O)Cc2ccsc2)CCO1 534586981 SXAKCLYEOUSLTH-LLVKDONJSA-N 254.355 0.867 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1Cc1ccc2c(c1)OCCO2 534661942 LSGZYNGPPNDSBO-MNOVXSKESA-N 279.292 0.478 0 50 CCAA Cc1ncnc(N2CC[C@](O)(CN(C)C)C2)c1C 895010931 YKDQGCOYPLDXRU-ZDUSSCGKSA-N 250.346 0.596 0 50 CCAA O=S(=O)(N1CCNCC1)N1CCCC[C@H]1C1CCC1 923652664 NRGWZOKULQACGO-ZDUSSCGKSA-N 287.429 0.791 0 50 CCAA NS(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1 65347 CWUUKGVTFGECDV-UHFFFAOYSA-N 277.305 0.981 0 50 CCAA Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)O)ccc12 139291 UVCYYTDPGVNBKH-UHFFFAOYSA-N 291.259 0.681 0 50 CCAA biogenic C=CC(=O)N(C)CC(=O)N[C@@H]1CCc2c[nH]nc2C1 860028025 CXGMLHDFKMBILV-SNVBAGLBSA-N 262.313 0.028 0 50 CCAA O=C(Cc1csc(-c2cccnc2)n1)N1CC(O)C1 225470738 JAHKUZQUIHYBMF-UHFFFAOYSA-N 275.333 0.951 0 50 CCAA C[C@@H]1CN(Cc2cnc[nH]2)C[C@H]1C(=O)N1CCOCC1 344768226 MYIWPTIIIMMABV-DGCLKSJQSA-N 278.356 0.336 0 50 CCAA Cc1c[nH]c(CN2CCN(C)[C@]3(CCNC(=O)CC3)C2)n1 107410383 PBXPJZRVPPPGKV-OAHLLOKOSA-N 291.399 0.504 0 50 CCAA CCS(=O)(=O)CCNc1ncc(F)c(N(C)C)n1 65493782 MJFRNPPCUGOFTK-UHFFFAOYSA-N 276.337 0.528 0 50 CCAA CCc1ncc(C(=O)NCCOc2nonc2C)cn1 65429345 LCKYWTXEBXPVBE-UHFFFAOYSA-N 277.284 0.539 0 50 CCAA Cc1nonc1OCCN[C@@H](C)C(=O)NC1CCCC1 65490836 YTSJPLLWSIKYKH-VIFPVBQESA-N 282.344 0.794 0 50 CCAA CO[C@H](C)c1nsc(N2C[C@H]3[C@@H](C2)OCCN3C)n1 328810943 OKYPXMMPBJXJPE-KXUCPTDWSA-N 284.385 0.765 0 50 CCAA CCC(=O)N1CCN(C(=O)c2ccc(=O)n(C)c2)C1 333284094 MZZLHXDMWWYKQR-UHFFFAOYSA-N 263.297 0.037 0 50 CCAA CSCCC(=O)NCc1cc(N2CCOCC2)ncn1 72479227 UUFBDIORCBGMNZ-UHFFFAOYSA-N 296.396 0.683 0 50 CCAA CCc1[nH]ccc1C(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 376050226 KQLKJDYOESJANL-SECBINFHSA-N 289.339 0.919 0 50 CCAA CC[C@H](C)[C@H](Nc1nc(C)nc2c1cnn2C)C(N)=O 72166476 GOPMVGDLRTYLKM-XVKPBYJWSA-N 276.344 0.984 0 50 CCAA CC(=O)N[C@H]1CCN(c2cc(C3CC(N)C3)ncn2)C1 219648480 AIANBJABEZIYJH-MCIGGMRASA-N 275.356 0.396 0 50 CCAA O[C@@]1(CN=c2cccc(-n3ccnc3)[nH]2)CCOC1 378288294 VQAVNPPBDNYQKO-CYBMUJFWSA-N 260.297 0.253 0 50 CCAA Cc1nc2ccccn2c1C(=O)N[C@@H]1COCC[C@H]1O 219554845 ZFGCFTDASFWCMI-GHMZBOCLSA-N 275.308 0.522 0 50 CCAA CN(C)C1(CNC(=O)c2cc(N)n[nH]2)CCCC1 131935206 ROWYXFQLJBJBRW-UHFFFAOYSA-N 251.334 0.596 0 50 CCAA Cc1nonc1CC(=O)N[C@@H]1CCOC[C@H]1OCC1CC1 223954625 RPKURHPUYLGROK-DGCLKSJQSA-N 295.339 0.621 0 50 CCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCCCc1ccccc1 41589657 GZOYWHUVBQXNQE-LBPRGKRZSA-N 289.335 0.724 0 50 CCAA Cc1ccn(CCC(=O)N[C@H](C)Cn2cccn2)n1 222499709 IYUMYZFJRGOWSI-GFCCVEGCSA-N 261.329 0.983 0 50 CCAA CN(C)[C@H]1CN(C(=O)NCCc2ccc(O)cc2)C[C@@H]1O 426701529 ACHUGYKXTBABPA-KBPBESRZSA-N 293.367 0.251 0 50 CCAA CCc1nnc(CNC(=O)[C@@H]2CCCN(C(C)=O)C2)s1 95378485 LXGCFDUSDMUDGP-SNVBAGLBSA-N 296.396 0.975 0 50 CCAA COc1cccc(Cn2ncnc2CNC(C)=O)c1 91536744 DJZVZEKPGMFAAZ-UHFFFAOYSA-N 260.297 0.971 0 50 CCAA Cc1cc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)ncn1 539605787 HWUXECUDZZQBMJ-LLVKDONJSA-N 293.323 0.881 0 50 CCAA CC[C@H](C(=O)NCCc1ncc[nH]1)N1CCOCC1 534651706 GPFCMMHHLSNOHI-LLVKDONJSA-N 266.345 0.179 0 50 CCAA Cc1nc[nH]c1C(=O)NCC1(CN2CCN(C)CC2)CC1 534578521 NOHLRVWFCDJJNH-UHFFFAOYSA-N 291.399 0.476 0 50 CCAA O=C(COc1ccccc1)N1CCc2n[nH]c(=O)cc2C1 263616147 HIZFNZAQMVWSCG-UHFFFAOYSA-N 285.303 0.734 0 50 CCAA CN(C)c1nccnc1NCCN1CCC(CO)CC1 534670793 RQTDWCHRQGSAOX-UHFFFAOYSA-N 279.388 0.659 0 50 CCAA COc1ccc(F)cc1C(=O)NCCn1ccnn1 534672998 CADMIPHOPPDPFG-UHFFFAOYSA-N 264.260 0.856 0 50 CCAA C[C@@H]1Cc2cc(C(=O)N3CCS(=O)(=O)CC3)ccc2O1 299784813 JLMFLUCQVGGZRW-SNVBAGLBSA-N 295.360 0.881 0 50 CCAA C[C@@H](Cn1ccnc1)NCCN1CCC(CO)CC1 828719503 DKKSUZFTMSDHMT-ZDUSSCGKSA-N 266.389 0.566 0 50 CCAA COc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2OC)ccn1 584895261 HJONMKPDLDOUQO-STQMWFEESA-N 293.367 0.928 0 50 CCAA CN1CCCC[C@H]1CC(=O)N1CCN(CCCCO)CC1 584889675 WMCJMFYSLITRRP-HNNXBMFYSA-N 297.443 0.778 0 50 CCAA Cc1nn(CCNC(=O)c2cc(N)n[nH]2)c(C)c1C 584901526 XPLHDMJZTRZYOW-UHFFFAOYSA-N 262.317 0.544 0 50 CCAA NC(=O)c1cncc(N2CCN(CC3CCC3)CC2)n1 670471455 LLIBOFVMPHEVDT-UHFFFAOYSA-N 275.356 0.498 0 50 CCAA CCN1C[C@H](CN(C)c2ccc(C(N)=O)cn2)CC1=O 670460727 ULRALNNPEDCBJY-JTQLQIEISA-N 276.340 0.485 0 50 CCAA COCCN1CCC[C@H](CN(C)C(=O)CN2CCCC2)C1 584898052 CBCXIAPEZSLETO-OAHLLOKOSA-N 297.443 0.899 0 50 CCAA Cc1ncsc1CN1CC[C@]2(C1)CN(C)C(=O)CO2 670439654 JBMAULQIGDFVHL-CYBMUJFWSA-N 281.381 0.885 0 50 CCAA Cn1ncnc1CCNC(=O)c1cc(C2CC2)no1 670447841 OWWKIHXJYVZSSV-UHFFFAOYSA-N 261.285 0.653 0 50 CCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccncc1F)C2 952851094 UDLKHDFHSRNQRO-OTYXRUKQSA-N 293.298 0.185 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@@H]1CC(=O)N(c2ccccn2)C1 1875259363 AEZXODXNRDHQTL-GHMZBOCLSA-N 291.307 0.271 0 50 CCAA N=c1nc2c(ncn2Cc2csc(Cl)n2)c(N)[nH]1 1875341366 QGSVLNUQBAPFJD-UHFFFAOYSA-N 281.732 0.979 0 50 CCAA C[C@H](Cn1cncn1)C(=O)N1CC(c2ccncc2)C1 952990623 VHBMAZHPUDNEBR-LLVKDONJSA-N 271.324 0.935 0 50 CCAA Cc1nn(CCO)cc1CN(C)C[C@@]1(C)CCN(C)C1 952983862 YGECQTNXZSAVQY-HNNXBMFYSA-N 280.416 0.957 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N=c2cc[nH]c(C)c2)C1=O 886091379 YSORCHNVOFNUQO-ZDUSSCGKSA-N 291.351 0.778 0 50 CCAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCC(=O)N(C)C)C1 888079172 HHVZSBBGNOTEDR-GHMZBOCLSA-N 266.345 0.650 0 50 CCAA C[C@H]1C(=O)Nc2cc(C(=O)NS(C)(=O)=O)ccc2N1C 408477714 BDRWIUPVBPMZSX-ZETCQYMHSA-N 297.336 0.153 0 50 CCAA O=C(O)CCN(C(=O)[C@H]1CCCO1)C1CCOCC1 408513312 PAYLWDCTKPPBBK-LLVKDONJSA-N 271.313 0.648 0 50 CCAA CS[C@H](CO)[C@@H](C)NC(=O)c1[nH]c(C)nc1C 598691747 WHEAYKLRYPEMSB-HZGVNTEJSA-N 257.359 0.869 0 50 CCAA Cc1noc(C)c1C(=O)N[C@@H](C(=O)O)C1CCOCC1 668312323 SSWOOXPVBVYPPO-LLVKDONJSA-N 282.296 0.901 0 50 CCAA CNC(=O)NCC(=O)N1CC(C)(C)OC2(CCCC2)C1 189636713 CBZPGJNBCDRYTI-UHFFFAOYSA-N 283.372 0.866 0 50 CCAA Cn1cc[nH]c(=NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)c1=O 643789747 HOUUCOKWIFTCJS-CMPLNLGQSA-N 289.339 0.505 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccnc(C)c2)C1 644035473 QCSFFCPBGPQRQO-HNNXBMFYSA-N 291.351 0.493 0 50 CCAA O[C@@]1(c2cnn[nH]2)CCCN(CC2CCOCC2)C1 794010470 RUCXMMQFZRYSAC-ZDUSSCGKSA-N 266.345 0.515 0 50 CCAA Cc1nnsc1C(=O)N1CC[C@H](C)C[C@@H]1C(N)=O 408366275 WMFFNQXTRNTTGW-POYBYMJQSA-N 268.342 0.573 0 50 CCAA CNC(=O)C1CCN(S(=O)(=O)c2ccco2)CC1 408443747 PAPNLDDPYVYGES-UHFFFAOYSA-N 272.326 0.426 0 50 CCAA COc1ncc(NCC2(C)COC2)cc1C(N)=O 225393889 NKNHNDONNQUDLZ-UHFFFAOYSA-N 251.286 0.638 0 50 CCAA O=C([C@@H]1CCCN1)N1CC[C@](O)(C(F)(F)F)C1 261547889 IUZFQMBRZIYVDT-IONNQARKSA-N 252.236 0.264 0 50 CCAA COCC1(S(=O)(=O)N2C[C@@H](N)C3(CCC3)C2)CC1 1615057208 FQGQDTIMFGCGPC-SNVBAGLBSA-N 274.386 0.308 0 50 CCAA CCCn1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 13813789 XELZKKOBFUCGDI-UHFFFAOYSA-N 261.285 0.394 0 50 CCAA Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 19818768 LBQATGICRJALBI-UHFFFAOYSA-N 273.292 0.777 0 50 CCAA CN1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CCCOC2)C1 328642518 RCBQLUJRSGJGNF-CABCVRRESA-N 296.411 0.982 0 50 CCAA COCC1(O)CN(S(=O)(=O)c2cc(C)cs2)C1 331486648 IOTIUCSJETZTMD-UHFFFAOYSA-N 277.367 0.438 0 50 CCAA COc1cnc(C(=O)N2CCNC(=O)[C@H]2CC(C)C)nc1 349009963 SHWJADUZRIUZFR-LLVKDONJSA-N 292.339 0.472 0 50 CCAA Cc1noc(-c2ccc(N3CCN(C)C(=O)C3)nc2)n1 369697562 ZRSIGKODRQVJHA-UHFFFAOYSA-N 273.296 0.718 0 50 CCAA N[C@@]1(CO)CCCN(Cc2ccccc2-n2cncn2)C1 904401397 HTUIKRVGACFTHJ-HNNXBMFYSA-N 287.367 0.553 0 50 CCAA O=c1cc(CN2CCCn3nncc3C2)[nH]c2ccnn12 1262077775 OLGAWXNZNNIQSP-UHFFFAOYSA-N 285.311 0.020 0 50 CCAA Cc1ccnc(CN[C@@H]2C(=O)NCC23CCOCC3)c1 933035343 OPXIGGNPLWVDOD-CYBMUJFWSA-N 275.352 0.775 0 50 CCAA Cc1ccc(O)c(NC(=O)CNC(=O)[C@@H](N)C(C)C)c1 126443731 KUBDCNJXILVJTK-ZDUSSCGKSA-N 279.340 0.739 0 50 CCAA C[C@H]1CN(C(=O)Cn2cc(C(=O)O)nn2)C(C)(C)C1 262942700 BONFHOWTXNWEMJ-MRVPVSSYSA-N 266.301 0.623 0 50 CCAA COCC1(CNS(=O)(=O)c2cn[nH]c2)CCCC1 534667799 SHDIQIHGMCUMCY-UHFFFAOYSA-N 273.358 0.895 0 50 CCAA COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)[C@@H](C)N 381767592 PMAFZFIVCQBVFA-RQJHMYQMSA-N 292.382 0.549 0 50 CCAA O=C(CSc1ccccc1)N[C@@H]1CNCC[C@@H]1O 1565527982 CFMNVVDEDWDJQV-NEPJUHHUSA-N 266.366 0.618 0 50 CCAA Cn1cncc1CNC(=O)N[C@@H]1C[C@]2(C(=O)O)C[C@H]12 1875291539 CQGNINFMDZBWIU-KBVBSXBZSA-N 264.285 0.083 0 50 CCAA O=C(NOCc1ccccc1)[C@@H]1Cc2nncn2C1 2325789734 JQWULLDEMFEBPX-LLVKDONJSA-N 258.281 0.698 0 50 CCAA O=C(NOC[C@H]1CCOC1)C1CN(c2ncc(F)cn2)C1 2325791616 ZTCDSWKKRDPTSQ-VIFPVBQESA-N 296.302 0.136 0 50 CCAA C[C@@H]1CN[C@H](C(=O)N2CC=C(c3ccnn3C)CC2)CO1 2325795748 WMLVSGLPAJWTJY-YPMHNXCESA-N 290.367 0.413 0 50 CCAA CC(C)(C)OC(=O)N[C@H]1COc2cc(C=O)nn2C1 2325904000 AMBIRBRJVSDCCI-SECBINFHSA-N 267.285 0.981 0 50 CCAA CC[C@H](CO)NC(=O)[C@@H]1COc2ccccc2O1 307709 NIPZFDUTMPPYOZ-SKDRFNHKSA-N 251.282 0.714 0 50 CCAA O=C(Cn1nnc(-c2ccccc2)n1)N1CCOCC1 1204157 VQEZKTZCYGIHKQ-UHFFFAOYSA-N 273.296 0.199 0 50 CCAA COCCNC(=O)C(=O)Nc1cc(OC)ccc1OC 2897890 HHTAAVBAZREKTQ-UHFFFAOYSA-N 282.296 0.405 0 50 CCAA COC(=O)COC(=O)C[C@@H](CC(N)=O)c1ccccc1 2917934 FEDMOWXXISZDCB-LLVKDONJSA-N 279.292 0.752 0 50 CCAA Cc1nc(C)n(CCNS(=O)(=O)c2ccccc2)n1 4988376 VOMBBSNLNWUHSP-UHFFFAOYSA-N 280.353 0.873 0 50 CCAA Cc1cc(NC(=O)c2cc(S(N)(=O)=O)cs2)no1 6681805 LXDUNLGITJLRAY-UHFFFAOYSA-N 287.322 0.944 0 50 CCAA COCCN(Cc1cnn(C)c1)C(=O)c1cnc(C)cn1 55284813 PLUKFWTUUFSZDQ-UHFFFAOYSA-N 289.339 0.807 0 50 CCAA CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CCNCC1 22013948 ACLWTUJHNVQTSW-VIFPVBQESA-N 258.318 0.964 0 50 CCAA COC(=O)COCC(=O)N1CCC([C@H]2CCOC2)CC1 376960152 GLNCCEGOHUGFEF-LBPRGKRZSA-N 285.340 0.451 0 50 CCAA Cc1cnn(CCC(=O)Nc2ccn([C@H]3CCNC3)n2)c1 328645414 ZQGQENXPHROUGW-LBPRGKRZSA-N 288.355 0.951 0 50 CCAA C[C@@H]1OCC[C@H]1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328625047 KIOFUGJNPBBWOU-QJPTWQEYSA-N 278.356 0.650 0 50 CCAA Cc1cnn(CCC(=O)N2CCOC[C@@H]2c2ncon2)c1 329057405 MNVPOTFKMOFJFC-LLVKDONJSA-N 291.311 0.565 0 50 CCAA CC[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H](C)[S@@]1=O 329209031 YWEFPHVJEOQVHK-VBTAIFHRSA-N 258.347 0.242 0 50 CCAA CCN(Cc1ccc(OC)nc1)[C@H]1COC[C@@H]1O 216201029 WRNQCGCWUZBEMK-RYUDHWBXSA-N 252.314 0.672 0 50 CCAA CNC(=O)[C@H]1CN(C(=O)CC(C)(C)C2CC2)CCO1 332192239 ZMYWHVKNHFUQCT-LLVKDONJSA-N 268.357 0.786 0 50 CCAA Cc1n[nH]c(C)c1CCC(=O)N1CCOC[C@@H]1CC(=O)O 72411240 JYYFOBWIZYYNOO-NSHDSACASA-N 295.339 0.661 0 50 CCAA O=C1C[C@@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1 36853565 IZSDOALUQLXXEU-CQSZACIVSA-N 287.363 0.656 0 50 CCAA Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2C(=O)O)c(O)n1 262485265 BBUIBEDYCOUIIF-IUCAKERBSA-N 264.281 0.741 0 50 CCAA COC[C@H]1CN(Cc2nccc(N)n2)CC(C)(C)O1 284584770 PPCCNAIRQRDQSO-SNVBAGLBSA-N 266.345 0.685 0 50 CCAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCCO)ccc21 77299844 LCSSZRGGOGSOQX-UHFFFAOYSA-N 293.323 0.088 0 50 CCAA CN(CC1CCS(=O)(=O)CC1)c1ccn(C)n1 285213452 XFKDDZGAEBUHQJ-UHFFFAOYSA-N 257.359 0.681 0 50 CCAA COC[C@H]1CN(C(=O)c2ccon2)CC(C)(C)O1 285609956 VGUVFZZTJMENLO-SECBINFHSA-N 254.286 0.941 0 50 CCAA COCCOC1CCN(C(=O)c2cnc[nH]2)CC1 222353543 DZWJPNJOFMLEPQ-UHFFFAOYSA-N 253.302 0.677 0 50 CCAA Cc1cc(C(=O)N=c2nc(N(C)C)[nH][nH]2)nn1C(C)(C)C 340992717 KIRGFNKRFCXFJF-UHFFFAOYSA-N 291.359 0.805 0 50 CCAA CC(C)c1nnc(CNC(=O)[C@](C)(O)C2CC2)n1C 342585644 MFFHGGPIUIPBEZ-CYBMUJFWSA-N 266.345 0.716 0 50 CCAA CCCn1cnnc1CNC(=O)[C@@H](C)NC(=O)OC 220430539 HMPGUFVKNSFPQG-MRVPVSSYSA-N 269.305 0.049 0 50 CCAA Cn1ncnc1CCNC(=O)N1CCSCC1 426668996 KIYDTKKDVFRBAT-UHFFFAOYSA-N 255.347 0.116 0 50 CCAA C[C@@H]1CCCCN1C1CN(C(=O)c2cncc(=O)[nH]2)C1 426599823 XWSWOSPCFWKTBU-SNVBAGLBSA-N 276.340 0.469 0 50 CCAA Cc1cc(C(=O)NCCN2CCCC2=O)nc(C)n1 222754822 LZUFWBXSGZIXRD-UHFFFAOYSA-N 262.313 0.446 0 50 CCAA CC(C)(C)n1ccc(C(=O)N[C@@H](CO)C(=O)O)c1 426712809 UJIJHWIODYKTKG-VIFPVBQESA-N 254.286 0.418 0 50 CCAA CCN(C(=O)c1nn(CC)cc1Cl)[C@H]1COC[C@@H]1O 426494525 ZNBKOXIWMGFIKH-UWVGGRQHSA-N 287.747 0.778 0 50 CCAA O=C(C[C@H]1CCOC1)N1CCC(n2cnnc2)CC1 426619975 FFMCZOGZLQFZHM-LLVKDONJSA-N 264.329 0.868 0 50 CCAA CCO[C@@H](C)CN(C)C(=O)NCCc1nncn1C 426581268 OLNPLTDVKVNCPI-JTQLQIEISA-N 269.349 0.424 0 50 CCAA CS(=O)(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91644130 YUNZFKVXNBQMDA-CYBMUJFWSA-N 286.397 0.671 0 50 CCAA Cc1ccc(-c2cc(C(=O)N3C[C@H](O)CO3)[nH]n2)o1 91381603 GOROVPYJWYJSOR-QMMMGPOBSA-N 263.253 0.726 0 50 CCAA Cn1ccnc1CN(CCO)C(=O)C1CCOCC1 97334272 DTWKFTIKGXIOBO-UHFFFAOYSA-N 267.329 0.168 0 50 CCAA Cc1cc(C(=O)NC[C@H]2CC[C@@H](CO)O2)c(C)n1C 294711033 VVARKIGZDLSLTH-NEPJUHHUSA-N 266.341 0.912 0 50 CCAA C[C@@]1(O)CCN(C(=O)c2ccc3nccnc3c2)C[C@@H]1O 96138782 PDSANIDARDMWDA-DZGCQCFKSA-N 287.319 0.588 0 50 CCAA CCCn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N)cn1 534574515 QVUNCZNSDIBWHW-PJXYFTJBSA-N 298.412 0.651 0 50 CCAA Nc1n[nH]c(CCNC(=O)c2cccc3c2CCC3=O)n1 534635272 ZLFKIIKWWOSMQE-UHFFFAOYSA-N 285.307 0.488 0 50 CCAA CNC(=O)c1ccc(CNC(=O)[C@@H]2CCOC2)o1 299759974 RZRAFBZYYXUHMG-MRVPVSSYSA-N 252.270 0.292 0 50 CCAA N#Cc1ccnc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 299799743 ZTQHXKBFNFVLNL-STQMWFEESA-N 282.307 0.895 0 50 CCAA Cn1ncnc1CCNC(=O)Cc1noc2ccccc12 584890564 BROLRGLHKSLCJK-UHFFFAOYSA-N 285.307 0.858 0 50 CCAA C[C@H](NC(=O)C1(Cn2ccnc2)CC1)C(C)(C)O 670453643 JZSAKUBMNBFKSL-JTQLQIEISA-N 251.330 0.939 0 50 CCAA C[C@H](C1CC1)N(C)S(=O)(=O)CCN1CCOC1=O 952879602 JXHUFUCVTLTNFE-SECBINFHSA-N 276.358 0.499 0 50 CCAA COCCCN=c1[nH]c(C(=O)NC2CC2)cs1 1875325248 JXTYJNKPAZHAOI-UHFFFAOYSA-N 255.343 0.906 0 50 CCAA CN(C)Cc1nc2ccc(NC(=O)C3OCCO3)cc2[nH]1 1875311551 FACJYNRPNSFHRG-UHFFFAOYSA-N 290.323 0.936 0 50 CCAA NCC1(O)CC(C(=O)N[C@@H](CO)c2ccc(Cl)cc2)C1 1875319772 RCVWELSQKGSASA-KHJSKFAYSA-N 298.770 0.589 0 50 CCAA Cc1nc(CNCCN2CCCC[C@H]2CO)n(C)c1C 952992029 YBQZCSGGHSGTJQ-AWEZNQCLSA-N 280.416 0.973 0 50 CCAA Cc1nc2ccccn2c1C(=O)N[C@H]1COCC[C@@H]1O 1565510884 ZFGCFTDASFWCMI-QWRGUYRKSA-N 275.308 0.522 0 50 CCAA CS(=O)(=O)CC(=O)N1CCC[C@@H]1C1CCOCC1 408128542 JWFAUEOUTLGKFY-LLVKDONJSA-N 275.370 0.449 0 50 CCAA Cc1cc(C)n2nc(SCC(C)(CO)CO)nc2n1 408518516 LNZOMSBZZAPFMQ-UHFFFAOYSA-N 282.369 0.824 0 50 CCAA COC(=O)c1ccc(CN2CC[C@H]3OCCN[C@@H]3C2)nc1 403991529 JHBHASXQJULOKY-ZIAGYGMSSA-N 291.351 0.431 0 50 CCAA CC(C)c1cnc(S(=O)(=O)C[C@H](O)CO)n1C1CC1 170653811 KFXPJOOOVHULAV-SNVBAGLBSA-N 288.369 0.468 0 50 CCAA CC(C)(C(=O)NCC1(CCO)CC1)c1cnc[nH]1 646961459 MSHOPGZMFMSFLY-UHFFFAOYSA-N 251.330 0.966 0 50 CCAA COCc1ccc(C(=O)N[C@H]2CCCCNC2=O)o1 193008293 BREQCKGCYWCLLT-JTQLQIEISA-N 266.297 0.825 0 50 CCAA Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCCC(=O)N1)CC2 193999151 OEZMRIATCDUYOQ-MNOVXSKESA-N 291.355 0.076 0 50 CCAA CS(=O)(=O)NC1CC(Nc2ncnc3[nH]ccc23)C1 669827651 RDUADLVGQAQPNI-UHFFFAOYSA-N 281.341 0.450 0 50 CCAA CN1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CO)C1 699456844 GKHONLFVXLFINZ-CQSZACIVSA-N 280.343 0.893 0 50 CCAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1ccnnc1 776620951 CYBYYROUPUFCGO-NSHDSACASA-N 279.296 0.573 0 50 CCAA O=C(CC1=CCCCC1)N1CCC(O)(c2nn[nH]n2)CC1 798148749 PNJCYKMOEIMNTN-UHFFFAOYSA-N 291.355 0.900 0 50 CCAA C[C@]1(CNC(=O)[C@H]2CSCN2)CCCC[C@@H]1O 246584950 IEYSRVXBBJQVFK-JFGNBEQYSA-N 258.387 0.706 0 50 CCAA CC1(C)CC(N[C@@H]2CNCC[C@@H]2O)CC(C)(C)N1 1615751635 WFIMJFCRDKGZFP-NEPJUHHUSA-N 255.406 0.608 0 50 CCAA CO[C@H]1CN(c2ncc(Br)cn2)C[C@@H]1O 1615830130 TXKXHNUVANZVHG-YUMQZZPRSA-N 274.118 0.435 0 50 CCAA COCCS(=O)(=O)N[C@H]1CCc2ncccc2C1 1615586114 QGFOEDLNGFTZHC-NSHDSACASA-N 270.354 0.505 0 50 CCAA COCCOC1CCN(C(=O)c2cn[nH]c2)CC1 215119465 ADGVFEYSWKGWMY-UHFFFAOYSA-N 253.302 0.677 0 50 CCAA O=C(CN1CCOC1=O)N[C@H]1CCCN2CCC[C@@H]12 1772816045 FHYUVKDPKIVSLR-QWRGUYRKSA-N 267.329 0.182 0 50 CCAA O=C([C@@H]1CCOC1)N1CCCN(c2cnccn2)CC1 1772811410 UYJSOGCHYPLWCR-GFCCVEGCSA-N 276.340 0.552 0 50 CCAA COC[C@@H](C)NC(=O)c1cnc2sccn2c1=O 12383553 CZVGIHXINVREER-SSDOTTSWSA-N 267.310 0.521 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cnc(N(C)C)nc1 643763278 YSNOOMJUDDPKEB-CQSZACIVSA-N 293.371 0.009 0 50 CCAA CN[C@H]1CCCN(C(=O)c2ccccc2-n2cnnn2)C1 133317725 SNMQOTDQPIDSFC-NSHDSACASA-N 286.339 0.486 0 50 CCAA O=C(c1ccc(CO)o1)N1CCC[C@@H]1C1(O)CC1 1772815494 MUVIPZIETFYDQL-LLVKDONJSA-N 251.282 0.901 0 50 CCAA CSCC[C@@H](O)C(=O)N(C)Cc1cnn(C)c1C 222818638 LORSKTGKNWFSJF-LLVKDONJSA-N 271.386 0.801 0 50 CCAA NC(=O)c1ccc(NS(=O)(=O)C[C@H]2CCCO2)cc1 171802805 NCPAYPCXCABLCS-LLVKDONJSA-N 284.337 0.706 0 50 CCAA NC(=O)c1ccc(C(=O)N2CCC[C@@](F)(CO)C2)cc1 335891443 UWBSAAXXRQTHIN-AWEZNQCLSA-N 280.299 0.722 0 50 CCAA CN(CC(=O)N1CCCCCC1)Cc1ncon1 670455630 IGRZLOGJCXURSB-UHFFFAOYSA-N 252.318 0.904 0 50 CCAA CCc1nc(CCNC(=O)c2cnc(N)s2)no1 584899736 OPNBEDQTUDMGQS-UHFFFAOYSA-N 267.314 0.643 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@]2(CO)CCOC2)c(C)c1 393906158 NXKIKFNEXMNICL-CYBMUJFWSA-N 285.365 0.733 0 50 CCAA O=C(CCCc1nc(=O)o[nH]1)NC[C@H]1COC2CC1C2 2325850364 VVJZOKOQOYTXOV-KYHHOPLUSA-N 281.312 0.227 0 50 CCAA Cn1cc(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cn1 215113 NVKJMMZZYDHHBL-GHMZBOCLSA-N 263.297 0.703 0 50 CCAA COC(=O)CNC(=O)CCNC(=O)OCc1ccccc1 1640094 SRTRHRPTDAYVJN-UHFFFAOYSA-N 294.307 0.592 0 50 CCAA COc1nc(C(=O)N2[C@H]3CCC[C@@H]2C[C@H](O)C3)nn1C 2356138130 HXHHYUUBKGEYKK-MYJAWHEDSA-N 280.328 0.342 0 50 CCAA Cc1nc2ncnn2c(N2CCN(CCO)CC2)c1Cl 20059790 WYHVRMKBIKDULB-UHFFFAOYSA-N 296.762 0.200 0 50 CCAA COC(CN1CCN(C(=O)CSC)CC1)OC 67982194 DPECULMNUAPXJR-UHFFFAOYSA-N 262.375 0.113 0 50 CCAA CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)O 118074526 BWPKSNMGVTYXQQ-SECBINFHSA-N 274.317 0.737 0 50 CCAA CN(C)NCc1cccc(OCCN2CCOCC2)c1 67603622 HQTTUHOUVIHDRD-UHFFFAOYSA-N 279.384 0.964 0 50 CCAA CC[C@H]1CN(CC(N)=O)CCC(=O)N1Cc1ccccc1 71776316 YTGBBLYMTVJCLN-AWEZNQCLSA-N 289.379 0.985 0 50 CCAA CC(=O)N[C@H]1C2CN3CCN(C2)CC1(Cc1ccccc1)C3 22241875 PWVNCBNUNMABHD-ADKAHSJRSA-N 299.418 0.981 0 50 CCAA COC[C@H]1CCCN(c2nc(O)c3c[nH]nc3n2)C1 330095876 WIRJZGHCTLFTBD-QMMMGPOBSA-N 263.301 0.921 0 50 CCAA CCCN1C[C@H](C(=O)Nc2ccc(C(N)=O)cc2)CC1=O 33359503 ZDTOTOCWWCIQDP-LLVKDONJSA-N 289.335 0.983 0 50 CCAA Cc1cc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)on1 328622239 IICHBIOXAKDJCR-LLVKDONJSA-N 289.339 0.845 0 50 CCAA CN(Cc1cnc(-c2ccccn2)nc1)[C@H]1COC[C@@H]1O 216395333 OCHFGWFJEGMYNE-KBPBESRZSA-N 286.335 0.730 0 50 CCAA CN(C(=O)CN1CCC[C@H](c2nc(O)n[nH]2)C1)C1CC1 377583727 HIIKERPBSKBGOH-VIFPVBQESA-N 279.344 0.311 0 50 CCAA O=C(NCCc1ccccc1F)NC[C@H]1CNCCOC1 72153695 PLVUBQXAZHAFKR-GFCCVEGCSA-N 295.358 0.903 0 50 CCAA CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)C1(C)CCC1 262999062 URWYUCGMWCGXKA-UHFFFAOYSA-N 296.367 0.958 0 50 CCAA CCN(C(=O)Cc1cn2ccsc2n1)[C@@H]1CCNC1=O 241644465 PQZIYRYUUALPBI-SNVBAGLBSA-N 292.364 0.675 0 50 CCAA COCCN(Cc1ccncc1)C(=O)C[C@@H]1CNCCO1 215907750 BYUINTNIZIJBSS-CQSZACIVSA-N 293.367 0.435 0 50 CCAA O=C([C@@H]1CCCN1C(=O)c1cnn[nH]1)N1CCCCC1 426651432 WGSZWGLIGCNWRW-NSHDSACASA-N 277.328 0.422 0 50 CCAA CCC(CC)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 44306007 WLRAACVUNWNBND-SNVBAGLBSA-N 276.402 0.963 0 50 CCAA CC[C@H]1C(=O)NCCN1C(=O)NCc1cnn(C(C)C)c1 426658579 VEOLBKHVUZXMCN-LBPRGKRZSA-N 293.371 0.884 0 50 CCAA CC(=O)N[C@@H](C)Cc1nc(-c2ccc(C)nn2)no1 95529245 GRKDORVCNLVZLR-QMMMGPOBSA-N 261.285 0.902 0 50 CCAA CCc1nc(CN2CCN(C[C@@H](C)OC)CC2)no1 182343261 BZJRCWJYDPOULJ-LLVKDONJSA-N 268.361 0.785 0 50 CCAA Cn1cc([C@H](NC(=O)c2cc(O)no2)[C@H]2C[C@@H](O)C2)cn1 252523027 BRADGMZPXRTGIA-VFWDIBGWSA-N 292.295 0.356 0 50 CCAA Cc1ccccc1S(=O)(=O)n1nc(O)cc1N 253428116 OWQVTDUWXFEEMW-UHFFFAOYSA-N 253.283 0.716 0 50 CCAA Cc1nc(O)ccc1C(=O)N1CCC[C@H]1Cn1ccnn1 299743631 LTRRQMTXEHQKHC-NSHDSACASA-N 287.323 0.992 0 50 CCAA COCC1(CNC(=O)C2(C(N)=O)CC2)CCCC1 534637687 PTTNLXHCRXGTRI-UHFFFAOYSA-N 254.330 0.575 0 50 CCAA NC(=O)CN1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1 826838838 VGDBWMMMMSSAKT-SNVBAGLBSA-N 289.326 0.441 0 50 CCAA Cc1csc(CN(C)C(=O)CN2CCC[C@@H](O)C2)n1 584903600 GBDQEGDWRCHSSY-LLVKDONJSA-N 283.397 0.867 0 50 CCAA CC(C)S(=O)(=O)NCc1noc([C@H]2CCCO2)n1 584891463 WZHYTWZJYWLFBR-MRVPVSSYSA-N 275.330 0.749 0 50 CCAA c1ccc([C@@H]2CN(CCn3cncn3)CCN2)cc1 240825082 QMPIZFAZCRZHJL-AWEZNQCLSA-N 257.341 0.925 0 50 CCAA CN1CCC[C@@H](CCNC(=O)NCc2cncn2C)C1 868698182 SVLDBHFIERKWJJ-LBPRGKRZSA-N 279.388 0.951 0 50 CCAA CS(=O)(=O)Nc1ccc([C@@H]2CCNC[C@@H]2N)cc1 757207409 AUPCQPNREPPIRI-RYUDHWBXSA-N 269.370 0.462 0 50 CCAA CON(C)C(=O)CCN1CCC(=O)N2CCC[C@H]12 952878572 ATKMJBXPWCATQO-SNVBAGLBSA-N 255.318 0.051 0 50 CCAA C[C@@H](C1CC1)N(C)S(=O)(=O)CCN1CCOC1=O 952879606 JXHUFUCVTLTNFE-VIFPVBQESA-N 276.358 0.499 0 50 CCAA CS(=O)(=O)[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)O)C1 1875272609 SSXCHHIGOXTYKL-RGOKHQFPSA-N 289.353 0.179 0 50 CCAA C[C@H]1CN(c2nccn(C(F)F)c2=O)C[C@@H](C)[S@@]1=O 1875258737 JDFILMDWLBNABE-HRZPCYSCSA-N 291.323 0.984 0 50 CCAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875277702 ZGNKXIXJWRKXQR-SMTYKGIASA-N 277.320 0.874 0 50 CCAA CC1(C)CC[C@@H](CO)N(CC2(O)CC(c3nn[nH]n3)C2)C1 1875329757 HXKMTNZNITXZAW-CVZZAPKMSA-N 295.387 0.291 0 50 CCAA C[C@H](CC(N)=O)N(C)C(=O)c1ccc(-c2nc[nH]n2)cc1 952973020 VXHGISOGPBIDKN-SECBINFHSA-N 287.323 0.808 0 50 CCAA CN1CCN(C[C@H]2CCCN(C(=O)CC3CNC3)C2)CC1 952985798 HIERKMUXLLPCMA-CQSZACIVSA-N 294.443 0.082 0 50 CCAA Cn1cnc(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)c1 890103262 HYOPEPBXTYGLBO-BDAKNGLRSA-N 293.245 0.383 0 50 CCAA COc1nccc(C(=O)N2C[C@H]3CCC[C@@]3(N)C2)n1 1342286959 FDLLLSMMNLEXCO-NOZJJQNGSA-N 262.313 0.439 0 50 CCAA CCNS(=O)(=O)c1ccc(NCCOCC)cn1 1776003886 DVOOHCHZMANEGE-UHFFFAOYSA-N 273.358 0.828 0 50 CCAA c1cc2ncc(CNC[C@H]3CC[C@@H](c4nc[nH]n4)O3)cn2n1 1775961650 PYCWLURZWYNCGA-NEPJUHHUSA-N 299.338 0.857 0 50 CCAA COc1nc(C)ccc1C(=O)N1CCN2C(=O)NC[C@H]2C1 408126114 JNPWGADVYNXZAL-JTQLQIEISA-N 290.323 0.248 0 50 CCAA C[C@H]1[C@H](C(=O)NCC2(C(N)=O)CCOCC2)C1(F)F 408230853 JIVALIBDUPRECQ-JGVFFNPUSA-N 276.283 0.286 0 50 CCAA CC1CCC(OCC(=O)N[C@@H]2CCN(C)C2=O)CC1 408314428 UJSFCAZQCGQTPD-HTAVTVPLSA-N 268.357 0.929 0 50 CCAA COCCCN[C@H]1CCC[C@H]1CNS(C)(=O)=O 408516903 XLPHGVWZTWWAPM-QWRGUYRKSA-N 264.391 0.330 0 50 CCAA C[C@@H](Cn1cccn1)NC(=O)c1c[nH]nc1[C@@H]1CCOC1 275271998 JLPVWYRBGKHVRR-WDEREUQCSA-N 289.339 0.929 0 50 CCAA C[C@H]1CN(C(=O)[C@@H](c2cncn2C)N(C)C)C[C@@H](C)O1 280730720 IOFBQGVDPIWYQB-NTZNESFSSA-N 280.372 0.659 0 50 CCAA CCN1CCC[C@@H](NC(=O)c2c(OC)ncnc2OC)C1 171808374 JMAYMPLBCMXUPH-SNVBAGLBSA-N 294.355 0.708 0 50 CCAA CCN(CC)C(=O)CCNC(=O)c1snnc1C 195577506 MFWOISZBMHRGTK-UHFFFAOYSA-N 270.358 0.835 0 50 CCAA CN1CCc2ncnc(N3CCc4nccnc4C3)c2C1 664590648 AEQCBZRELGKWNO-UHFFFAOYSA-N 282.351 0.817 0 50 CCAA CN1CCN(C(=O)CCC(F)(F)F)[C@@H](CN)C1 122650944 PPZZSFGTGYJKLO-QMMMGPOBSA-N 253.268 0.430 0 50 CCAA COc1nsc(OC)c1CNC(=O)c1cnccn1 1615548949 PSFPCAUBTZEIQO-UHFFFAOYSA-N 280.309 0.880 0 50 CCAA O=C1CO[C@]2(CCN(c3ccc(Cl)cn3)C2)CN1 1772812357 GMVAXQZIOCYYRT-GFCCVEGCSA-N 267.716 0.830 0 50 CCAA O=C(O)[C@H]1C[C@H]1C(=O)N1CCC(OC2CCOCC2)CC1 360571671 FZWXCCPWDUZZPX-OLZOCXBDSA-N 297.351 0.894 0 50 CCAA NC(=O)[C@@H]1c2ccccc2CCN1C(=O)CCn1cccn1 377585994 YFDVEWQYHPYIAG-HNNXBMFYSA-N 298.346 0.885 0 50 CCAA Cn1ncc(CN2CCN(Cc3cncs3)CC2)n1 931360128 RRTNACLYYVHCON-UHFFFAOYSA-N 278.385 0.589 0 50 CCAA O=C(c1ncoc1C1CC1)N1CCOC[C@@H](O)C1 77539300 SBQZSUUTOUOUQN-VIFPVBQESA-N 252.270 0.385 0 50 CCAA Cc1cc(NC(=O)CN2CC[C@@H](NC(=N)O)C2)on1 330508979 CHPFQYPLVHGPHY-MRVPVSSYSA-N 267.289 0.078 0 50 CCAA CC1(C)CN(CC[C@H]2CCS(=O)(=O)C2)CCO1 677673304 BONJMLBKHCCPCE-NSHDSACASA-N 261.387 0.922 0 50 CCAA CNS(=O)(=O)[C@H]1CCCN(Cc2cccc(F)n2)C1 851842538 KRQXXSWPBCENPF-NSHDSACASA-N 287.360 0.734 0 50 CCAA CCS(=O)(=O)[C@@H](C)C(=O)N=c1cc[nH]c(C)c1C 2100556887 UPKQKQMXUYQMJJ-JTQLQIEISA-N 270.354 0.882 0 50 CCAA Cc1nc(C(=O)NC[C@@H]2CCN2C2CCOCC2)no1 902980597 PBYZIHLLRHVBHT-NSHDSACASA-N 280.328 0.361 0 50 CCAA COC(=O)CCC(=O)Nc1ccccc1C(N)=O 125322 NOJBZGFOPSKQRS-UHFFFAOYSA-N 250.254 0.677 0 50 CCAA biogenic Cc1cc(C(=O)N2CCC3(CC2)OCCO3)no1 153875 IXPIKHZUDQIROI-UHFFFAOYSA-N 252.270 0.962 0 50 CCAA O=S(=O)(N[C@H]1[C@@H]2CNC[C@@H]21)c1c[nH]c2ncccc12 250230090 ZFRJDNOECJJKQN-JZYVYDRUSA-N 278.337 0.059 0 50 CCAA CC(=O)N[C@H](Cc1c(C)[nH]c2ccccc2c1=O)C(=O)O 65361860 FIKRPLIAEGVYAX-CYBMUJFWSA-N 288.303 0.968 0 50 CCAA CC[C@H](COC)NC1CCN(c2nccn(C)c2=O)CC1 328635311 NGWRCPZGBQNDPQ-GFCCVEGCSA-N 294.399 0.764 0 50 CCAA CC[C@H]1C(=O)NCCN1C[C@@H]1CCO[C@H]1c1ccnn1C 331818237 LMQVHENAHHJXGM-SGMGOOAPSA-N 292.383 0.708 0 50 CCAA COCCNC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 123568382 MPZJMSMDTFSYCR-GFCCVEGCSA-N 294.351 0.547 0 50 CCAA Cc1nc(=O)c(CC(=O)N(C)CCc2ncon2)c(C)[nH]1 215647948 PYWOKOQDYAGDTP-UHFFFAOYSA-N 291.311 0.013 0 50 CCAA C[C@H](NC(N)=O)C(=O)NCCc1ccc2c(c1)CCO2 253411608 AKSOAWUOJBCXNN-VIFPVBQESA-N 277.324 0.337 0 50 CCAA O=C1COCCN1CC(=O)N1CCS[C@H]2CCCC[C@@H]21 253430631 KGRRXYQSIQCVGI-RYUDHWBXSA-N 298.408 0.732 0 50 CCAA Cc1nnc(Cn2ccnc2S(C)(=O)=O)s1 332737174 ZGDOCQSCEXLTRO-UHFFFAOYSA-N 258.328 0.495 0 50 CCAA CC(C)CN1CC[C@H](C(=O)N(C)[C@H](C)C(=O)O)C1 521366016 USUVFIIDQKMBHL-MNOVXSKESA-N 256.346 0.896 0 50 CCAA CN(Cc1ccccc1)[C@H]1CCN(Cc2nnnn2C)C1 370206533 BIYMLADPUROGDV-AWEZNQCLSA-N 286.383 0.916 0 50 CCAA CC(C)Cc1cc(C(=O)NC[C@@H]2CCNC[C@H]2O)n(C)n1 72126414 OKWPDFGUSXJQPQ-SMDDNHRTSA-N 294.399 0.319 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(Cl)c[nH]2)C1 284891068 RQDKCCCXNFUDEM-DTWKUNHWSA-N 258.705 0.890 0 50 CCAA CCN1C[C@H](C(=O)NCCCn2ccnc2)CC1=O 46116111 PTGMJHMKDNVLAB-LLVKDONJSA-N 264.329 0.258 0 50 CCAA CC(C)c1ccoc1C(=O)NCC(=O)N1CCOCC1 285805258 YJIJDUSARWIHHM-UHFFFAOYSA-N 280.324 0.992 0 50 CCAA Cc1nnnn1CCC(=O)NC[C@H](C)Oc1cccnc1 220479230 DEFUGYSSOSEFOM-JTQLQIEISA-N 290.327 0.350 0 50 CCAA CC(C)(C)[C@H](NC(=O)CCC1=NNC(=O)CC1)C(=O)O 426734026 OMZPCERWPGLDLK-LLVKDONJSA-N 283.328 0.648 0 50 CCAA O=C(CN1CCCC1=O)Nc1cnn(Cc2ccncc2)c1 195474015 WKWSLUHRXGLGOM-UHFFFAOYSA-N 299.334 0.887 0 50 CCAA CCC[C@@H](CNC(=O)c1nnc2nc(C)ccn12)N(C)C 426697254 BOWITQUDELUXRF-NSHDSACASA-N 290.371 0.893 0 50 CCAA Cn1ncnc1CCNc1cc(C2CC(N)C2)ncn1 223537289 WKMYYOPGDIEJLH-UHFFFAOYSA-N 273.344 0.464 0 50 CCAA CN(C)Cc1csc(CN2CCN(C)[C@H](CO)C2)c1 225325823 XYZCEBCKQHJCMX-ZDUSSCGKSA-N 283.441 0.918 0 50 CCAA CC[C@@H](Sc1nnc(CNC)n1C)C(=O)OC 426434834 KOHYEMPQDHLZNR-SSDOTTSWSA-N 258.347 0.578 0 50 CCAA COc1ccc2nc(N3C[C@@H](O)[C@H](O)C3)c(C)nc2c1 292941878 BFXZBAIRLIYKLS-CHWSQXEVSA-N 275.308 0.489 0 50 CCAA CN1CCN(C(=O)Cc2cc(F)ccc2F)[C@@H](CN)C1 162396218 QXBCSACHRPLXDE-LBPRGKRZSA-N 283.322 0.609 0 50 CCAA O=C(NCc1nc(O)n[nH]1)NC(C1CC1)C1CC1 426477170 GNRJFNXFKSPAOM-UHFFFAOYSA-N 251.290 0.498 0 50 CCAA Cc1nc(C2CC2)ncc1C(=O)N1CC[C@](C)(O)[C@@H](O)C1 97773177 MCECCHWQVXSJMX-WFASDCNBSA-N 291.351 0.620 0 50 CCAA Cc1nnc(CN(C)C(=O)CN2C[C@H](C)CC2=O)o1 95521860 YSOUREKHQMARJA-MRVPVSSYSA-N 266.301 0.205 0 50 CCAA CC(C)[C@@H](NC(=O)CSCC(N)=O)c1nccn1C 534641745 MZPQFCHQTDTJSF-LLVKDONJSA-N 284.385 0.452 0 50 CCAA NC(=O)c1nc(CNC(=O)[C@@H]2CCc3ccccc32)no1 534646619 BPNHWBRLXHANDK-SNVBAGLBSA-N 286.291 0.515 0 50 CCAA Nc1n[nH]c(CCNC(=O)CCC(F)(F)F)n1 534660437 FJPIPAJGWYLWLY-UHFFFAOYSA-N 251.212 0.388 0 50 CCAA Cc1cnn([C@H](C)CNC(=O)c2cncc(=O)[nH]2)c1 534629943 SLVJGLFOELUTCQ-SECBINFHSA-N 261.285 0.266 0 50 CCAA CC[C@@](O)(CCCO)CNC(=O)c1cncs1 828747879 FOEOQYQQNCIGBI-LLVKDONJSA-N 258.343 0.787 0 50 CCAA CN(C)[C@H]1CCN(S(=O)(=O)CC2CCCC2)C[C@@H]1O 823730011 AXYZGWHOYNPKEY-STQMWFEESA-N 290.429 0.503 0 50 CCAA COc1ccc(OC)c(S(=O)(=O)n2cnnc2)c1 583645802 ZOSMQTFWSQQVTN-UHFFFAOYSA-N 269.282 0.532 0 50 CCAA CNC(=O)[C@H](NC(=O)CCn1cccn1)c1ccccc1 584898756 HCKZNHSLQUQDPL-CQSZACIVSA-N 286.335 0.877 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)c2cnc(SC)nc2)C1 584888134 DGCOAMSFTADIDP-SECBINFHSA-N 294.380 0.797 0 50 CCAA Cc1n[nH]c(C)c1CCCN(C)C(=O)CCn1cnnn1 584885271 OOGPBURNTMNYFM-UHFFFAOYSA-N 291.359 0.494 0 50 CCAA Cc1nnc(CN2CCC(C)(C(N)=O)CC2)s1 670471872 AVGSJBCPEVFNBW-UHFFFAOYSA-N 254.359 0.934 0 50 CCAA Cc1cocc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685943091 VTOCQQCCYNDYIP-NWDGAFQWSA-N 277.280 0.887 0 50 CCAA Cc1nscc1NS(=O)(=O)c1ccn(C)n1 1875281258 YOFIINJXVNERFC-UHFFFAOYSA-N 258.328 0.986 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N1C[C@@H]2C[C@H]1C[S@@]2=O 1875295949 CKNIOXOUZKNCDG-AQRPAEKGSA-N 298.393 0.575 0 50 CCAA Cc1c(C(=O)N[C@@H]2CCSC2)nnn1[C@H]1CCNC1 1875267324 UYADPEFOSUMXBC-ZJUUUORDSA-N 281.385 0.356 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@](C)(COC)C1CC1 1875367521 KNSKGOPZZAZYDG-CYBMUJFWSA-N 254.330 0.562 0 50 CCAA CNC(=O)CN1Cc2cccnc2N2CCC[C@H]2C1 879689808 WAGGEBXRJVTKIR-LBPRGKRZSA-N 260.341 0.612 0 50 CCAA CCn1cc(C(=O)N[C@H](C)CO)c(C2CCOCC2)n1 886088511 HUVOFPVNJVGZNX-SNVBAGLBSA-N 281.356 0.908 0 50 CCAA C[C@@]1(C2CC2)COCCN1C(=O)CC1(O)CCOCC1 890593130 JCJWAQNSMRZIHY-AWEZNQCLSA-N 283.368 0.946 0 50 CCAA O=C(NC[C@H]1CCCO1)c1cnc2sccn2c1=O 16650586 CKJBNRLFYRTKGV-MRVPVSSYSA-N 279.321 0.665 0 50 CCAA CCN(C)C(=O)CN1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 408473596 BSJWYQICIINUFT-GXTWGEPZSA-N 297.399 0.067 0 50 CCAA CCOC(=O)c1cnc(N2CC([C@@H](C)O)C2)nc1C 585092580 FRWLFXPPSKFELO-SECBINFHSA-N 265.313 0.779 0 50 CCAA CSC[C@@H](C)C(=O)NCCN1CCC2(C1)OCCO2 585131415 VLWQBOIQBSXIPU-LLVKDONJSA-N 288.413 0.551 0 50 CCAA O=S1(=O)CCCN1CCN1CCC(c2ncco2)CC1 585577071 LVTNAZKFESKZSI-UHFFFAOYSA-N 299.396 0.890 0 50 CCAA Cn1cc(N2CCN(Cc3cocn3)CC2=O)cn1 191081032 NMHBUJJAYXMULY-UHFFFAOYSA-N 261.285 0.257 0 50 CCAA Cc1[nH]nc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)c1C 564253137 SPUPAJVCFDYZTG-VIFPVBQESA-N 289.343 0.545 0 50 CCAA COC[C@H]1[C@@H](NC(=O)Cc2ccccn2)[C@H]2CCO[C@H]21 1074608611 YDCVFSWWDUOFIQ-PAPYEOQZSA-N 276.336 0.790 0 50 CCAA C[C@](N)(C(=O)NCC[C@H]1CCNC1)c1ccccc1 195232224 GLEVBQAHLJRXKB-IUODEOHRSA-N 261.369 0.976 0 50 CCAA CN(C)[C@H]1CCN(CCn2cc(-c3cccnc3)nn2)C1 656444048 UFFXJIBLKMQSOY-AWEZNQCLSA-N 286.383 0.976 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccc(OC)nc1 659172468 JDRAWQGBLHFLTQ-CQSZACIVSA-N 294.307 0.796 0 50 CCAA C[C@@H](CN(C)c1nccnc1C(=O)O)N1CCOCC1 1506407063 LWWPFPFPCYLRCV-JTQLQIEISA-N 280.328 0.332 0 50 CCAA COC[C@@]1(C)CCN(S(=O)(=O)NC(C)C)C1 907217271 ORDJBXQOZFAKJT-JTQLQIEISA-N 250.364 0.588 0 50 CCAA O=C(Cc1cccc(F)c1)NC[C@]1(O)CCOC1 229689415 CXZBNWRHGGHKTJ-CYBMUJFWSA-N 253.273 0.636 0 50 CCAA Cc1nc(C(=O)NC[C@@](C)(O)[C@@H]2CCCCO2)no1 1875306093 RXLVSTOOIALBBU-JOYOIKCWSA-N 269.301 0.428 0 50 CCAA CC(C)CS(=O)(=O)N1CCC(CO)(CN(C)C)CC1 1772709349 OPUSYCFXPWCDCU-UHFFFAOYSA-N 292.445 0.608 0 50 CCAA Cc1nnc(NC(=O)CCN2C(=O)CCC2=O)s1 16116141 QSCATOYBWWFBNJ-UHFFFAOYSA-N 268.298 0.324 0 50 CCAA CC1(C)N=C(N)N=C(N)N1c1ccc(C(=O)O)cc1 19607391 QKMLSYAKMRHXSS-UHFFFAOYSA-N 261.285 0.570 0 50 CCAA Cn1ccnc1[C@H](O)C1CCN(c2n[nH]c(=N)s2)CC1 1857683184 XIUAVNQPODINMQ-SECBINFHSA-N 294.384 0.634 0 50 CCAA Cc1nnc(COC2CN(C(=O)[C@@H](O)C(C)C)C2)o1 644223775 MOWGWUXBSDDPQI-NSHDSACASA-N 269.301 0.122 0 50 CCAA CCCn1nccc1NC(=O)N[C@@H](CO)CCOC 253396890 MGIBTCXVTPTYJI-SNVBAGLBSA-N 270.333 0.812 0 50 CCAA COc1ccc(C(=O)N2CCOC[C@H]2C(=O)O)c(C)c1 262482991 KSWNNIDTFYABGL-LBPRGKRZSA-N 279.292 0.929 0 50 CCAA CC(C)n1cnnc1CSc1nnc(CCN)n1C 426381406 GHVRSFILAKEBOM-UHFFFAOYSA-N 281.389 0.781 0 50 CCAA N[C@H](CO)CNC(=O)c1ccc(C(F)(F)F)cn1 386712294 XWPHFAOWOWCGSY-ZETCQYMHSA-N 263.219 0.150 0 50 CCAA C[C@@H]1C(=O)[C@@H]2C[C@@]3(C)CO[C@@]2([C@@H]3O)[C@@]2(C)CC[C@]12O 2332924321 LNLIBLOQCHPJML-YZLMLSIOSA-N 266.337 0.893 0 50 CCAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1=O)c1ccccc1 191746 TUQYCYZBIRJGAQ-SCZZXKLOSA-N 265.290 0.554 0 50 CCAA Cc1c(-n2cnnn2)c(=O)n(-c2ccccc2)n1C 411496 QWTTUWGSGUMPAA-UHFFFAOYSA-N 256.269 0.460 0 50 CCAA Cn1cnc2nc(N3CCC(n4cnnc4)CC3)ncc21 2356137358 LEJHTTVVQBKWSC-UHFFFAOYSA-N 284.327 0.796 0 50 CCAA O=C1NC[C@H]2CN(C(=O)CCc3cc(Cl)no3)C[C@@H]12 2356154736 HUTDWLMWXHCHMX-IONNQARKSA-N 283.715 0.465 0 50 CCAA Cc1noc(C)c1CCC(=O)NCCN=c1nc[nH]n1C 2356158802 ZYJSUBSPAWIFFB-UHFFFAOYSA-N 292.343 0.003 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)c1cn2c(n1)CCCC2 225426669 KUXKFSZROGFNSE-NSHDSACASA-N 298.412 0.592 0 50 CCAA CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1 100001787 UOVMFIQDEOSINK-BJDJZHNGSA-N 264.325 0.283 0 50 CCAA CCn1ncnc1[C@@H]1CC(=O)Nc2[nH]nc(C(=O)OC)c21 65372826 DQBULKREFLBZIP-ZCFIWIBFSA-N 290.283 0.282 0 50 CCAA CC(C)(C)[C@H](O)C[C@@H](CO)NS(=O)(=O)C1CC1 252489106 JFLLYLNFFSLKTR-WCBMZHEXSA-N 265.375 0.226 0 50 CCAA CN1CCCC[C@@H]1CN1CCN(C(=O)C(C)(C)O)CC1 376983268 RKTXDIWPYZGYNC-CYBMUJFWSA-N 283.416 0.386 0 50 CCAA O=C(C[C@@H]1CCC(=O)N1)Nc1cnc2n1CCCC2 67696306 DKKRMRALSVGWJK-VIFPVBQESA-N 262.313 0.827 0 50 CCAA C=CC(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 328598565 NFVAPOPRMAGATN-SNVBAGLBSA-N 262.313 0.948 0 50 CCAA COCCn1ccc(C(=O)N2CCO[C@H](C3CC3)C2)n1 377013383 JYCRZVFBVLIAAB-ZDUSSCGKSA-N 279.340 0.781 0 50 CCAA Cn1c(=O)c(C(=O)N2CC[C@H](O)C2)cc2ccccc21 215055548 HUWUFSHDKLNYMV-NSHDSACASA-N 272.304 0.745 0 50 CCAA Cn1cc2c(n1)CCC[C@H]2NS(=O)(=O)c1ccnn1C 282397577 BUKFOFDZQFBBIB-LLVKDONJSA-N 295.368 0.510 0 50 CCAA CCn1ccnc1C(=O)N1CCOC[C@H]1c1nc[nH]n1 330172327 GJFHTOYGLNNHJW-VIFPVBQESA-N 276.300 0.235 0 50 CCAA CCc1nc(CN(C)[C@@H]2CCN([C@H]3CCOC3=O)C2)no1 257366469 ZWFXJVBQYSFLEF-MNOVXSKESA-N 294.355 0.454 0 50 CCAA CS(=O)(=O)NCC(=O)N[C@H]1CCC[C@@H](C2CC2)C1 153446263 YIRHJSMMFKEBJL-MNOVXSKESA-N 274.386 0.621 0 50 CCAA CCNC(=O)c1ccc(NC[C@H]2CNCCOC2)nc1 72121093 OUUXTCGEKRVRFV-LLVKDONJSA-N 278.356 0.479 0 50 CCAA CCc1ncc(S(=O)(=O)N[C@H]2CCCNC2=O)s1 333090314 OCJNYHLKNTZKAL-ZETCQYMHSA-N 289.382 0.262 0 50 CCAA O[C@]1(CNCc2nc(Cc3cccs3)no2)CCNC1 77319958 DAJSUNYMBBIFMD-CYBMUJFWSA-N 294.380 0.536 0 50 CCAA COCC(=O)N1CCCN(Cc2cccnc2N)CC1 215141206 AIQSGWFOZCDQQO-UHFFFAOYSA-N 278.356 0.345 0 50 CCAA COC[C@@H](N)C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 262442874 VBADYFSSPSSPJR-CHWSQXEVSA-N 297.786 0.787 0 50 CCAA CC(=O)c1c(C)[nH]c(C(=O)NC[C@](C)(O)C(=O)O)c1C 262426944 BEWDABXLKKATSB-ZDUSSCGKSA-N 282.296 0.400 0 50 CCAA Cn1cc(CN2CCC[C@@](O)(Cn3ccnn3)C2)cn1 284460133 DXFAKPUOGXWYPL-ZDUSSCGKSA-N 276.344 0.039 0 50 CCAA CCCc1cc(CN(C)C(=O)[C@@H]2CNCCO2)n[nH]1 71755502 PASDEPMUWIMGRX-LBPRGKRZSA-N 266.345 0.309 0 50 CCAA CCc1nn(C)cc1CNC(=O)N1CC[C@@](F)(CO)C1 338668884 RRPWETQHNFFDDR-ZDUSSCGKSA-N 284.335 0.598 0 50 CCAA COC[C@@H]1CN(C(=O)c2cncnc2)CC(C)(C)O1 285523553 OOJLUILEGNQZQX-NSHDSACASA-N 265.313 0.743 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)c2ccnc(-n3ccnc3)c2)C1 178256919 QNVNWMNDHMXNQV-LLVKDONJSA-N 286.291 0.814 0 50 CCAA CCn1nc(C)c(C(=O)NCCc2nc(N)n[nH]2)c1C 426662352 UYYGGJNANCIFFQ-UHFFFAOYSA-N 277.332 0.193 0 50 CCAA O=S1(=O)COCCN1CCn1cc(Cl)cn1 91637099 YUAORUZNNSGDSM-UHFFFAOYSA-N 265.722 0.156 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)Cc2cnn(C)c2C)N(C)C1 293170552 NISKIYWRXWYTRS-KBPBESRZSA-N 294.399 0.449 0 50 CCAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc2c(c1)OCO2 237637112 OBYLGFNFODRVBM-VHSXEESVSA-N 298.364 0.916 0 50 CCAA CN(CCn1cccn1)C(=O)C[C@@H]1CCCN1C 97632094 SREZWVJINZRIAV-LBPRGKRZSA-N 250.346 0.826 0 50 CCAA OCCn1ncnc1CCn1nnc2ccccc21 91988221 CWVWDWFCFUYGJX-UHFFFAOYSA-N 258.285 0.258 0 50 CCAA O=C(CN1CC[C@H](CO)[C@H](O)C1)NCc1cccs1 517272369 MZFRSZCLJSMDTN-ZYHUDNBSSA-N 284.381 0.039 0 50 CCAA CC1(C)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H](CO)O1 333466506 HOEBWYBPEHCTQZ-KKOKHZNYSA-N 269.341 0.552 0 50 CCAA COCC[C@@]1(C(=O)O)CCCN(CC(C)(C)N)C1 92098071 KFVDMGFAOFBLMU-ZDUSSCGKSA-N 258.362 0.927 0 50 CCAA Cc1nccn1CCN(C)CC(=O)Nc1ccn(C)n1 244874579 XDPHXZDJUKMZIG-UHFFFAOYSA-N 276.344 0.496 0 50 CCAA CCc1cc(C(=O)N2CCC[C@H]2Cn2ccnn2)[nH]n1 299742101 GWIABKQIRHPIFQ-NSHDSACASA-N 274.328 0.868 0 50 CCAA CCc1noc([C@@H](C)NC(=O)c2ncc[nH]c2=O)n1 823569525 WLKITESFRYCYKB-ZCFIWIBFSA-N 263.257 0.206 0 50 CCAA C[C@@H](c1ccncc1)N(C)C(=O)CCCS(N)(=O)=O 906439932 IOLCUOPUDDLABE-JTQLQIEISA-N 285.369 0.670 0 50 CCAA Cc1cnn(CC(=O)NC2(C(N)=O)CCCCCC2)c1 670457457 WLOIMIFLRDXXJZ-UHFFFAOYSA-N 278.356 0.886 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2CNCCO2)[C@H](c2ccccc2)CO1 269211386 HPNMHUNNXMMLIU-SNPRPXQTSA-N 290.363 0.963 0 50 CCAA CNC(=O)C1(C(=O)N(C)Cc2ccc(C(=O)O)cc2)CC1 268934434 MDQPTCSWLWGWSH-UHFFFAOYSA-N 290.319 0.869 0 50 CCAA CC(=O)NCCC1CCN(C[C@@H]2COCCO2)CC1 670440161 NUTRXVRFVLOTJU-CQSZACIVSA-N 270.373 0.640 0 50 CCAA Cc1onc(N)c1S(=O)(=O)NCC1(n2cccn2)CC1 952995443 MNVJIKSRMWARHU-UHFFFAOYSA-N 297.340 0.229 0 50 CCAA CS(=O)(=O)Nc1nc(=N[C@@H]2CCc3ccccc32)[nH][nH]1 1875291046 MGXFQJBCVAAIPH-SNVBAGLBSA-N 293.352 0.698 0 50 CCAA COCc1nc(CNC(=O)N2CC3(CC3)C2)no1 1875301715 QJAUAFWDFYAWQC-UHFFFAOYSA-N 252.274 0.521 0 50 CCAA C=CC(=O)N[C@H]1CS(=O)(=O)[C@@H]1c1ccccc1 1875375768 IAMAIQMSDFGPKR-CMPLNLGQSA-N 251.307 0.827 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCCc2cc[nH]n2)CC1 1875367855 TXVGLPILJPUDCN-UHFFFAOYSA-N 276.340 0.493 0 50 CCAA Cc1nonc1CN1C[C@@H]2C[C@H]1CN2Cc1nonc1C 879352996 JVBZLIRUDWBEMF-QWRGUYRKSA-N 290.327 0.528 0 50 CCAA CCOc1cc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)nc(C)n1 896971189 OQKCJPAFMLYXRB-AXFHLTTASA-N 267.329 0.870 0 50 CCAA O=c1c2c(F)cccc2ncn1C[C@H]1CCNC[C@@H]1O 1565514084 GOPPTFXEEZPXFW-SKDRFNHKSA-N 277.299 0.506 0 50 CCAA CCc1cc(-c2nc(C(C)(C)NS(C)(=O)=O)no2)n[nH]1 273931742 KNSDUZMVOGSOQE-UHFFFAOYSA-N 299.356 0.806 0 50 CCAA O=C(N[C@@H]1C=C[C@H](CO)C1)[C@H]1COCCN1CC1CCC1 185861826 BYTYLHRPLDCXQS-RRFJBIMHSA-N 294.395 0.541 0 50 CCAA CNC(=O)NC(=O)[C@@H](C)N1CCN(C2CCC2)C[C@H](C)C1 517006809 VBRVZSUESWJTJW-VXGBXAGGSA-N 296.415 0.637 0 50 CCAA COc1ccnc(NCCN2CCCOCC2)n1 188495509 WMCSJBINPLBKDM-UHFFFAOYSA-N 252.318 0.619 0 50 CCAA CCN(CC)CCn1c(S)ncc(C(=O)O)c1=O 584904616 VWTZCRAACSEGBT-UHFFFAOYSA-N 271.342 0.572 0 50 CCAA CCCC[C@H](N)C(=O)N1CCCC2(C1)OCCO2 195554539 AUVSFIWTBNNGCN-NSHDSACASA-N 256.346 0.869 0 50 CCAA Cc1ncccc1CN1CCC[C@](O)(c2cnn[nH]2)C1 794011401 ZQQVMUXIRWCKPB-CQSZACIVSA-N 273.340 0.992 0 50 CCAA COCC(=O)Nc1ccnn1C1CCN(C)CC1 1506421162 FJZGFOPIPOQHQJ-UHFFFAOYSA-N 252.318 0.735 0 50 CCAA Cn1nc2n(c1=O)CCN(Cc1ccc(F)nc1)C2 364460846 JFFWYYTVYVUGHN-UHFFFAOYSA-N 263.276 0.132 0 50 CCAA Cc1ncc(Cl)c(N[C@@H]2CN[C@H](C(=O)O)C2)n1 1772704933 URZVAIDLKPJALM-XPUUQOCRSA-N 256.693 0.665 0 50 CCAA CC(C)CNC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 5050352 NGFHALRKIGOGBT-LLVKDONJSA-N 292.335 0.715 0 50 CCAA CN1C(=O)CCO[C@H]2CN(c3nnc(C4CCC4)o3)C[C@@H]21 1857727259 OEBZXVQOGONTCY-QWRGUYRKSA-N 292.339 0.773 0 50 CCAA CN1C2(CCC2)COC[C@]1(CO)CN[C@@H]1COC(C)(C)C1 527949261 JQFCAAJHNOHGDV-XJKSGUPXSA-N 298.427 0.759 0 50 CCAA CCn1cc([C@H](C)NC(=O)N[C@H]2CCCN(C)C2=O)cn1 527991997 DVBZDABIKOXDNO-JQWIXIFHSA-N 293.371 0.884 0 50 CCAA OC[C@@H]1[C@H]2CN(c3cc(N4CCSCC4)ncn3)C[C@H]21 366196191 WVHJNBMYAYPFAC-GDNZZTSVSA-N 292.408 0.704 0 50 CCAA CNC(=O)[C@@H]1CCCN(C(=O)COc2cccnc2)C1 264792485 SFVNSUUPUHJHDZ-LLVKDONJSA-N 277.324 0.445 0 50 CCAA CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 2878107 KCZGTELGAHMIOC-UHFFFAOYSA-N 278.355 0.356 0 50 CCAA C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cnn[nH]1 935598811 XLTJFIAFEXYNPQ-SSDOTTSWSA-N 251.290 0.438 0 50 CCAA OCc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)ccn1 858389916 PTAUEQDBWHDDJZ-GJZGRUSLSA-N 277.368 0.609 0 50 CCAA CCOCCC(=O)N1CCC[C@@H](c2nnc[nH]2)C1 219619835 GYZZGOAYSXQRBY-SNVBAGLBSA-N 252.318 0.937 0 50 CCAA Cc1nn(CC(=O)N2CCNC[C@H]2C)c(C)c1Cl 125216423 JMDQNQDYCIIHGH-MRVPVSSYSA-N 270.764 0.974 0 50 CCAA Cc1ccc(F)c(S(=O)(=O)N2CCO[C@H](CN)C2)c1 165641493 GEQIRDCSCPYFDE-SNVBAGLBSA-N 288.344 0.482 0 50 CCAA C[C@@H](COc1ccccc1)NCCS(=O)(=O)N(C)C 65396928 UURGDECNLSRRQJ-LBPRGKRZSA-N 286.397 0.935 0 50 CCAA CC(C)[C@](C)(NCCN1C[C@@H]2CC[C@H](C1)O2)C(N)=O 573422853 NYPXCVRVPMLKBW-SCRDCRAPSA-N 269.389 0.339 0 50 CCAA CN1CCN(C(=O)c2cccn2C2CC2)C[C@@H]1CO 687598837 GWDBJJNPXZZKEW-GFCCVEGCSA-N 263.341 0.572 0 50 CCAA Cc1cc(CN2CCN3C(=O)N(C)C(=O)[C@H]3C2)no1 378060441 PAJVDHHQELLHIM-SNVBAGLBSA-N 264.285 0.061 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1n[nH]cc1C 715444070 XTTXCCVISIETJL-LBPRGKRZSA-N 253.302 0.784 0 50 CCAA CN(C(=O)[C@@H]1CNC(=O)c2ccccc21)C1COC1 2325785015 ZMLBPAXFDODRAI-GFCCVEGCSA-N 260.293 0.371 0 50 CCAA O=C(NOCC1CC1)C1CN(c2ncc(F)cn2)C1 2325791519 IGERZMPXDXYERO-UHFFFAOYSA-N 266.276 0.510 0 50 CCAA O=C1C[C@H](COC(=O)[C@]23CCCC(=O)N2CCC3)CCN1 2325807891 CMTJVKSHTDUUNI-IAQYHMDHSA-N 294.351 0.601 0 50 CCAA O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CCC[C@@H]2C[C@@]21C(=O)O 899544551 LTCIFEQEQOMKOF-KVLBLSCXSA-N 277.320 0.876 0 50 CCAA Cn1ccc(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)n1 375024 PXVPFIDHSHKZGA-SNVBAGLBSA-N 294.208 0.841 0 50 CCAA CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)O)C(C)C 1576667 DWZMYBRYTYGZDG-IUCAKERBSA-N 276.358 0.080 0 50 CCAA CCN(CCNS(=O)(=O)OC)c1ccc(N)c(C)c1 4112572 UDZAXLYZPJPCAH-UHFFFAOYSA-N 287.385 0.884 0 50 CCAA CN(C)S(=O)(=O)N1C[C@@H](N)[C@H](c2ccccc2F)C1 420470974 OSCRQYHYUNRLJS-CMPLNLGQSA-N 287.360 0.359 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCCN2CC=CCC2)N(C)C1 346702678 PAUWDZHPLYRKKY-STQMWFEESA-N 267.373 0.084 0 50 CCAA O=C(CN1CCCCCC1)NCCc1c[nH]cn1 65385100 HQHYNVCCFGZKKK-UHFFFAOYSA-N 250.346 0.944 0 50 CCAA O=C(CO)NCC[C@H]1CCCN(Cc2ccco2)C1 67820405 RHMWNNCAYFQVGS-GFCCVEGCSA-N 266.341 0.990 0 50 CCAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)NS(=O)(=O)C(C)C 139305744 FPMUIOZEBWUOQV-MRVPVSSYSA-N 287.385 0.995 0 50 CCAA COc1cc(C)cnc1C(=O)N1CC(O)(C(F)F)C1 425016594 GUCSAMGWBLSKRG-UHFFFAOYSA-N 272.251 0.851 0 50 CCAA COC(=O)CCNC(=O)CN1CCOc2cc(C)ccc21 126566264 JWFXMWLWHXCCBI-UHFFFAOYSA-N 292.335 0.873 0 50 CCAA O=C(NC[C@@H]1CCN(C(CO)CO)C1)NC1CCCCC1 67675828 CDBDPWVERVEBBW-LBPRGKRZSA-N 299.415 0.293 0 50 CCAA OC[C@@H]1C[C@H](F)CN1Cc1nnnn1-c1ccccc1 331688921 XUNXEIBUIPMDFE-JQWIXIFHSA-N 277.303 0.567 0 50 CCAA COc1ccccc1-n1cc(C(=O)Nn2cnnc2)cn1 67872419 FQKOIZKTCFABJR-UHFFFAOYSA-N 284.279 0.856 0 50 CCAA CC[C@@H](CO)NS(=O)(=O)c1cc(OC)ccc1OC 35609983 ABHAQPQVBSQWHY-VIFPVBQESA-N 289.353 0.753 0 50 CCAA CC[C@@]1(C)CC(=O)N(CC2CCS(=O)(=O)CC2)C1=O 329513769 LODCJNKNKOBQET-ZDUSSCGKSA-N 287.381 0.986 0 50 CCAA CC(C)C(=O)C(=O)N[C@@H](C)C(=O)NCc1ccco1 253424896 MEAJSAYBUMCFDF-VIFPVBQESA-N 266.297 0.626 0 50 CCAA COc1cc(S(=O)(=O)NC[C@@H](C)O)c(OC)cc1C 36638805 JKMMDLHQQFVCNI-SECBINFHSA-N 289.353 0.671 0 50 CCAA CC1(C)C[C@H](NC(=O)c2ccc(C(N)=O)nc2)CCO1 155749948 XBRVUEFSVVGGBH-SNVBAGLBSA-N 277.324 0.868 0 50 CCAA Cn1ccnc1SCCNC(=O)c1ccno1 216530313 QVYXMCPKHMZSNQ-UHFFFAOYSA-N 252.299 0.930 0 50 CCAA O=C(Cn1ccnc1)N1CCC(N2CCC[C@H](O)C2)CC1 72168401 JCLQHZWGNCJLSG-AWEZNQCLSA-N 292.383 0.331 0 50 CCAA CO[C@@H](C)CS(=O)(=O)N1CC[C@]2(CCNC2)C1 261994103 FHNQWVHKYYQWGR-QWRGUYRKSA-N 262.375 0.037 0 50 CCAA COC(=O)N[C@H](C)C(=O)N(C)Cc1nc(C)c[nH]1 219100258 GXEUXTZTQZWPPE-MRVPVSSYSA-N 254.290 0.421 0 50 CCAA CS(=O)(=O)N1CCCC[C@@H]1CCNc1ncncn1 219661468 MNIJIABHGVMVKV-SNVBAGLBSA-N 285.373 0.488 0 50 CCAA COc1cc(CN2C[C@H](C(=O)O)CC2=O)ccc1O 49856399 KCHWRFGQCJJLQK-SECBINFHSA-N 265.265 0.834 0 50 CCAA CO[C@H]1CNC[C@H]1NC(=O)/C=C/c1cccc(F)c1 133756484 DDGXAAJQGUMIFY-PBJSTTKNSA-N 264.300 0.942 0 50 CCAA O=C(CN1CCOC1=O)NCc1noc(C2CCCC2)n1 220605524 HSXYWQOXACVOBG-UHFFFAOYSA-N 294.311 0.796 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H]2CCNC[C@H]2O)cc1F 534675319 CNFRYVRATVAVMI-VXGBXAGGSA-N 288.344 0.135 0 50 CCAA COC(=O)[C@@H]1[C@@H]2CCCN2C(C)(C)[C@H]1C(=O)OC 239402686 QZOLDQZLTJTYLN-IVZWLZJFSA-N 255.314 0.821 0 50 CCAA Cn1cc(NC(=O)NCCc2ccc3c(c2)OCO3)nn1 96133758 SWMRVULDQNDBLB-UHFFFAOYSA-N 289.295 0.908 0 50 CCAA Cn1ccnc1C(=O)[C@@H]1CCCN(c2nccc(N)n2)C1 95518045 ADSJMWYFGBMUGK-SNVBAGLBSA-N 286.339 0.892 0 50 CCAA Cc1cc(N)n(CC(=O)NCCc2nc(C(C)C)no2)n1 244724026 MMGYGFUHNNXWGV-UHFFFAOYSA-N 292.343 0.639 0 50 CCAA CN1CCCN(Cc2nnc([C@H]3C[C@H](N)C3)n2C)CC1 244811648 SILTYRHOUVYVLV-HAQNSBGRSA-N 278.404 0.157 0 50 CCAA CCN1CCCC[C@@H]1CNS(=O)(=O)N1CCCC1 348241920 POSSZUFTTQHKQP-GFCCVEGCSA-N 275.418 0.791 0 50 CCAA CC(C)CCO[C@H](C)C(=O)N1CCO[C@@H](C(=O)O)C1 299751030 PGGJAVISTMVQKW-GHMZBOCLSA-N 273.329 0.750 0 50 CCAA CCc1nc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)no1 299746365 WWKAYQGVWWYFOZ-RNFRBKRXSA-N 292.261 0.728 0 50 CCAA Cc1ccnc(NCCNC(=O)C2(C(N)=O)CC2)c1 252482715 DMIUCJKKZCLMDZ-UHFFFAOYSA-N 262.313 0.184 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1ccc[nH]1 534582544 QQQKGTMFPDAJQD-STQMWFEESA-N 263.341 0.998 0 50 CCAA CN1CCN(CC(=O)NCC2(CO)CCCC2)C1=O 534581142 QIEMGUGQWCWVFQ-UHFFFAOYSA-N 269.345 0.023 0 50 CCAA Cc1nc(CN2CCN(CC(=O)O)C(=O)[C@H]2C)n(C)c1C 534667440 OOQFMKYRGRGXPL-LLVKDONJSA-N 294.355 0.154 0 50 CCAA CC[C@@H](C(=O)NCCN1CCCC1=O)N(C)CC 822555083 NHXKPWHHISNKOK-NSHDSACASA-N 255.362 0.455 0 50 CCAA COCCNC(=O)NCC1(C(F)(F)F)CCNCC1 725264716 MOTOWWBXRCASMR-UHFFFAOYSA-N 283.294 0.864 0 50 CCAA Nc1ncc(/C=C/C(=O)N2CCSCC2)cn1 827968400 LXBRMKZDZRUPEH-OWOJBTEDSA-N 250.327 0.647 0 50 CCAA O=C(Nc1cccc(F)c1)N[C@@H](CO)CN1CCOCC1 585136974 ASPQRZPDGUMKHK-CYBMUJFWSA-N 297.330 0.640 0 50 CCAA CC(C)C(=O)N1CCC[C@H](Nc2nccc(N)n2)C1 584885006 UHEOYTVZGKKUCS-JTQLQIEISA-N 263.345 1.118 0 50 CCAA Cc1nc([C@@H](C)NC(=O)c2cnn3ccn(C)c23)n[nH]1 670435497 WVSLNJCIZHBEQA-SSDOTTSWSA-N 273.300 0.590 0 50 CCAA COC(=O)N1CCN(Cc2ccnc(O)c2)CC1 864088015 VOUMGZAPCIPKCM-UHFFFAOYSA-N 251.286 0.671 0 50 CCAA CCc1noc(-c2ccn3c(CC(=O)O)nnc3c2)n1 70451545 OXIRRRLTXPEHJH-UHFFFAOYSA-N 273.252 0.969 0 50 CCAA in-vitro C[C@H]1CC[C@@H](S(=O)(=O)N2CC(=O)NC(C)(C)C2)C1 1875298202 RGMRSAVEQNKABT-VHSXEESVSA-N 274.386 0.715 0 50 CCAA C[C@@H](NC(=O)c1cn(C)ccc1=O)c1nnc2n1CCC2 1411659903 DRRCKOQVBJAJON-SECBINFHSA-N 287.323 0.414 0 50 CCAA O=C(O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 51603029 WHYUBQDDXPSEIK-LLVKDONJSA-N 270.329 0.032 0 50 CCAA CCC1(CO)CCN(C(=O)C2(O)CCOCC2)CC1 408318521 DJEONGDPJUAUFF-UHFFFAOYSA-N 271.357 0.539 0 50 CCAA O=C(O)CC1CCN(C(=O)[C@H]2COCCO2)CC1 110301347 WELIUGHHUVDNFB-SNVBAGLBSA-N 257.286 0.115 0 50 CCAA CCC[C@@]1(C)C(=O)NCCN1C[C@H](O)C(F)(F)F 187305641 JLOIRVFESMEYIC-WPRPVWTQSA-N 268.279 0.900 0 50 CCAA Cc1ccc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)cn1 636225017 POZNINGUEROTSY-ZDUSSCGKSA-N 287.323 0.523 0 50 CCAA C[C@@]1(C(=O)Nc2ccc3c(c2)CCN3)CNCCO1 637818964 OJFUDJWXHQUWIM-AWEZNQCLSA-N 261.325 0.972 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1ncc(C)o1 643828180 VIWQXOGDAOMANY-CYBMUJFWSA-N 267.329 0.710 0 50 CCAA CO[C@H]1C[C@H](N(C)Cc2nc(O)n[nH]2)C12CCC2 650185952 WIQKWJOXFJNSLC-IUCAKERBSA-N 252.318 0.900 0 50 CCAA NC(=O)[C@H]1CC[C@@H]1C(=O)Nc1cc2ccccn2n1 655071378 KUPVWYDMFJTYFI-UWVGGRQHSA-N 258.281 0.784 0 50 CCAA CC[C@@H]1NC(=O)N(C[C@H](O)COCC(C)C)C1=O 584908428 CEUNZLHKKXJUGN-UWVGGRQHSA-N 258.318 0.350 0 50 CCAA NC(=O)[C@H]1CN(c2nc3c(F)cccc3o2)CCO1 683749236 XHIFSPSZJLSQNF-SECBINFHSA-N 265.244 0.657 0 50 CCAA Cc1n[nH]cc1CN(C)c1nccc(N2CC[C@@H](O)C2)n1 1506431476 LSQYZWUEPHNPAM-GFCCVEGCSA-N 288.355 0.716 0 50 CCAA Cn1c(CO)nnc1[C@@H]1CCCN(c2nccc(N)n2)C1 1506400753 XQDXRCJCBLNQDI-SECBINFHSA-N 289.343 0.064 0 50 CCAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cnc(O)[nH]3)CCN12 1529169357 XSCBPKIBEJEFHV-WDEREUQCSA-N 294.355 0.441 0 50 CCAA CC[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@H](C(=O)N(C)C)C1 1857532317 JJPMGKVMFQXIBT-GRYCIOLGSA-N 283.372 0.674 0 50 CCAA C[C@@H](NS(C)(=O)=O)C(=O)NC1(C2(C)CC2)CC1 408472055 YQPDKAVOGNJELP-MRVPVSSYSA-N 260.359 0.373 0 50 CCAA COCCOC1CN(C(=O)N=c2cc[nH]cc2C)C1 332452423 MRADNDXKBLGAKS-UHFFFAOYSA-N 265.313 0.691 0 50 CCAA Cc1cc(C)n(Cc2nc([C@@H](C)NC(N)=O)no2)n1 332682792 KCFOLXBMYFYRIA-MRVPVSSYSA-N 264.289 0.661 0 50 CCAA NC1(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CC1 1615545451 HSJVAKFLJVDUTJ-PSASIEDQSA-N 263.263 0.136 0 50 CCAA COc1cc(O)c2c(c1)C1=C[C@@H](O)[C@H](O)C[C@@]1(C)OC2=O 13312093 MMHTXEATDNFMMY-IXPVHAAZSA-N 292.287 0.839 0 50 CCAA biogenic,in-vitro NCc1nn(CCN2CCCC2)c(=O)c2ccccc12 169725134 QQRPIOGDYDPEDB-UHFFFAOYSA-N 272.352 0.951 0 50 CCAA CO[C@@H]1CC[C@H](C(=O)NCCSc2nc[nH]n2)C[C@H]1N 1857737955 LCXMOODCRWLNLP-IVZWLZJFSA-N 299.400 0.155 0 50 CCAA CCn1cc(CNC(=O)[C@H]2CC[C@@H](N)[C@H](O)C2)cn1 1857738170 UUDPOKMXSLMEGX-QJPTWQEYSA-N 266.345 0.008 0 50 CCAA COc1nc(C)cc(N2CCN([C@H]3CCNC3)CC2)n1 521987746 MIJIJHPHOPTHRK-LBPRGKRZSA-N 277.372 0.278 0 50 CCAA Cn1cc(C(=O)N[C@H](CO)CC2CCCC2)c(O)nc1=O 253536896 MKJOPQHIKKSXJG-JTQLQIEISA-N 295.339 0.157 0 50 CCAA COc1ccnc(N(C)C(=O)c2cnc(N(C)C)cn2)n1 903972894 POMQYVUQNFBSCK-UHFFFAOYSA-N 288.311 0.618 0 50 CCAA O=C1[C@H](O)CCCCN1CC(=O)N1CCCc2n[nH]cc21 818878379 OQTPHTOTTRMCET-GFCCVEGCSA-N 292.339 0.062 0 50 CCAA Cc1nc(N2CCN(CCO[C@@H]3CCOC3)CC2)n[nH]1 931631566 LFSPQTJOXDUEHW-GFCCVEGCSA-N 281.360 0.041 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1nccn1CC(C)C 859566355 HKYNRSAGTICCDL-UHFFFAOYSA-N 278.356 0.800 0 50 CCAA NC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H](C(=O)O)C2)C1 224557967 PDALWDGUHJWBKH-HBNTYKKESA-N 282.340 0.601 0 50 CCAA CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C2OCCO2)C1 229785686 SUGWMSIEYPCKIV-GHMZBOCLSA-N 299.371 0.306 0 50 CCAA O=C(CN1CC[C@H]2CC[C@@H](C1)N2)NC[C@H]1CCCO1 252686484 JWMCKONUAQZXDH-FRRDWIJNSA-N 267.373 0.108 0 50 CCAA COC(CN1CCO[C@](C)(c2cnn(C)c2)C1)OC 161573522 YHWKOYVUKINIMZ-ZDUSSCGKSA-N 269.345 0.586 0 50 CCAA Cc1coc(C)c1C(=O)N1CCC[C@](O)(C(N)=O)C1 285388781 GFYYFBHISAIAMV-CYBMUJFWSA-N 266.297 0.349 0 50 CCAA O=C(c1c[nH]c(=O)cn1)N1CCC[C@H](c2ncc[nH]2)C1 77389217 HQVHYUMWKQLIRZ-VIFPVBQESA-N 273.296 0.513 0 50 CCAA CC(C)(CNC(=O)C[C@H]1CNCCO1)N1CCCC1 534634017 UTTYVQJUKSEFBA-LBPRGKRZSA-N 269.389 0.356 0 50 CCAA CC1(C)C[C@@H](O)CCN(S(=O)(=O)c2cn[nH]c2)C1 395321355 ANTLWVWGJNVUGI-VIFPVBQESA-N 273.358 0.581 0 50 CCAA O=C(NC[C@]1(CO)CC[C@@H]1CO)Nc1nccs1 2325772850 WRGXDCXOCRDRSX-KCJUWKMLSA-N 271.342 0.646 0 50 CCAA CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)O)ccc21 265087 PWTILJQVZSJQRY-UHFFFAOYSA-N 297.332 0.844 0 50 CCAA C[n+]1cccc(NC(=O)NC(=O)c2ccc[n+](C)c2)c1 283765 SICNUNHNGPLHDP-UHFFFAOYSA-P 272.308 0.298 0 50 CCAA Cc1ccc(C)c(S(=O)(=O)Nn2cnnc2)c1 301635 NHMOVUIEQRHQQY-UHFFFAOYSA-N 252.299 0.827 0 50 CCAA CCc1cc(C(=O)N2CCC[C@@]23CCCNC3=O)n[nH]1 2356135180 SIKUCHSKVGABAD-CQSZACIVSA-N 276.340 0.857 0 50 CCAA Cn1nnnc1SCCNCc1ccc2c(c1)OCO2 4488602 MZOUUENCQIPPGA-UHFFFAOYSA-N 293.352 0.821 0 50 CCAA CCOc1ccc(S(=O)(=O)NCCO)cc1C 4838484 FSBLYILZEIPFCO-UHFFFAOYSA-N 259.327 0.664 0 50 CCAA O=C(O)[C@H]1C[C@@H](O)CN1C(=S)NCc1ccccc1 4866907 RCYFQLYRPLPVHD-GHMZBOCLSA-N 280.349 0.581 0 50 CCAA CN(C)C(=O)CN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 100509103 JWGUQAPDQZSZOS-IUCAKERBSA-N 270.716 0.592 0 50 CCAA C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cnn(C)c1 247528093 XHNIZPQXEKCCJR-QWRGUYRKSA-N 284.385 0.277 0 50 CCAA CCCN1C[C@H](NC(=O)c2nnc3n2CCCC3)CC1=O 67604650 RSHVZDVSWZVORA-SNVBAGLBSA-N 291.355 0.355 0 50 CCAA O=C(NCCC(=O)N1CC[C@@H](O)C1)c1ccccc1F 55042608 WKQWTEDWFFDTGW-SNVBAGLBSA-N 280.299 0.539 0 50 CCAA CS(=O)(=O)Cc1nc(Cc2ccccc2)n[nH]1 65374934 GPEAVXVVABMHQQ-UHFFFAOYSA-N 251.311 0.940 0 50 CCAA CN1CCC[C@]2(CCN(C(=O)c3ncccc3O)C2)C1=O 67921663 HZTLSJXHEWULNS-OAHLLOKOSA-N 289.335 0.872 0 50 CCAA Nc1ncc(I)nc1C(=O)O 66351877 MMXRLDGHYRHOGZ-UHFFFAOYSA-N 265.010 0.362 0 50 CCAA O=C(NS(=O)(=O)c1cnccn1)[C@H]1C[C@H]1C1CC1 152421085 HBRGCJDNXUQLRH-IUCAKERBSA-N 267.310 0.328 0 50 CCAA CN1CCC[C@@H]2CN(S(=O)(=O)C3CC3)CC[C@@H]21 122442281 RGRJWADPSXMMPV-PWSUYJOCSA-N 258.387 0.895 0 50 CCAA CC(C)(C(=O)N1CCc2n[nH]cc2C1)S(=O)(=O)C1CC1 328781691 FVUZVORGECPWCR-UHFFFAOYSA-N 297.380 0.650 0 50 CCAA C=CC(=O)NCCC(=O)N[C@@H]1CCN(C2CC2)C1 490623790 KYNXDVGIXUUTQW-SNVBAGLBSA-N 251.330 0.032 0 50 CCAA COC(=O)c1cc(C(=O)NC[C@H]2CCCOC2)cn1C 339048556 YUOPSCITTBLSAF-SNVBAGLBSA-N 280.324 0.968 0 50 CCAA Cc1ncn(CCNC(=O)c2nc3ncccn3n2)c1C 215154140 JVBCUPALXMXGRO-UHFFFAOYSA-N 285.311 0.368 0 50 CCAA C[C@H](O)CN1CCN(CC(=O)N2CCCC[C@H]2C)C[C@@H]1C 241846612 SMFQJYIJCSYXBQ-ILXRZTDVSA-N 297.443 0.774 0 50 CCAA CC(C)[C@@H]1CN(Cc2cncnc2)C[C@H]1NS(C)(=O)=O 82126491 LDLFMAPARUEBBB-QWHCGFSZSA-N 298.412 0.482 0 50 CCAA O=C(CN1CCCC1)NCc1nc(-c2ccncc2)n[nH]1 223932289 PLACDYXUHUDLMB-UHFFFAOYSA-N 286.339 0.579 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@@H](C)C(=O)O 263345520 YWKQJDSJJWIIBV-GUBZILKMSA-N 259.302 0.502 0 50 CCAA CC(C)CN(CC(=O)O)C(=O)c1cccc2nnnn12 426697279 DQJGFXLXFUQVNL-UHFFFAOYSA-N 277.284 0.307 0 50 CCAA CCCc1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)no1 82108461 QNJQZLBGHZQPSS-MRVPVSSYSA-N 270.310 0.668 0 50 CCAA Cn1ncnc1CCNC(=O)CCOc1ccccc1 87448601 IMLLECSRZCWFAU-UHFFFAOYSA-N 274.324 0.943 0 50 CCAA CC(C)C[C@@H](C(N)=O)n1cc(-c2cncnc2)nn1 95352669 MISYQRLXUNQIGN-NSHDSACASA-N 260.301 0.808 0 50 CCAA Cc1nn(C)c(C)c1NC(=O)N[C@H]1C=CS(=O)(=O)C1 96138939 LHTIYKITLPQPFH-VIFPVBQESA-N 284.341 0.469 0 50 CCAA Cc1nc(CN(C)Cc2cccnc2)n(CC(=O)O)n1 96136318 NAIHXKXMENTNOH-UHFFFAOYSA-N 275.312 0.698 0 50 CCAA O=C(CCn1cnnn1)NCCc1nc2ccccc2[nH]1 524735744 WDRJGQJUYWPBIF-UHFFFAOYSA-N 285.311 0.298 0 50 CCAA O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@H]1C=C[C@@]2(CO)O1 245227097 ZXGNECSWSPLTJY-IATRGZMQSA-N 285.299 0.488 0 50 CCAA CN1CCO[C@@H](CNC(=O)c2cccc3c2CCC3=O)C1 534668898 LFSYFAOIHJGLIS-NSHDSACASA-N 288.347 0.876 0 50 CCAA CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C2CCCC2)C1 534663938 HBWXQGQOMXSFIF-LBPRGKRZSA-N 296.415 0.638 0 50 CCAA Cc1cnc([C@@H](C)NC(=O)CSCC(N)=O)[nH]1 534668895 INUGUQZHQCPGMZ-SSDOTTSWSA-N 256.331 0.114 0 50 CCAA O=S(=O)(N[C@@H](CO)c1ccc(F)cc1)N1CCCC1 269784685 PMUCMWRAAPPZDA-LBPRGKRZSA-N 288.344 0.789 0 50 CCAA Cc1cc(C)n(CC(=O)N(C)CC(C)(C)CO)c(=O)n1 296080137 HATOLYIIOQHPAK-UHFFFAOYSA-N 281.356 0.337 0 50 CCAA NC[C@H]1CN(C(=O)Cc2cnn3ccccc23)CCO1 648110850 UNGJFWMZQKMJNV-LBPRGKRZSA-N 274.324 0.063 0 50 CCAA O=C(CCC(F)(F)F)N1CCN2C(=O)OC[C@H]2C1 493313038 WFLNFBKAMDYGEE-SSDOTTSWSA-N 266.219 0.992 0 50 CCAA CN(C(=O)[C@@H]1CNCCO1)C1CC(C)(C)NC(C)(C)C1 827868378 ZCKFIYWWTFPQGD-LBPRGKRZSA-N 283.416 0.742 0 50 CCAA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2cnc(O)[nH]2)CC1 584902479 KLRINRXDFKUASC-KYZUINATSA-N 280.328 0.398 0 50 CCAA Cc1nc(O)c(Cl)c(NCCn2cncn2)n1 584885082 AAWDUHRQWRMNGN-UHFFFAOYSA-N 254.681 0.848 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc2nnnn2c1 584902899 CNUYPKXQRWJOAV-SSDOTTSWSA-N 285.311 0.955 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)c1nc(C)c[nH]1 584901451 CFVHSSAHLMTMHB-UHFFFAOYSA-N 252.318 0.753 0 50 CCAA Cn1ncc2c1CCCN(C(=O)[C@@H]1C[C@]13CCNC3)C2 952895387 UHUVBDXWVHUVPA-WFASDCNBSA-N 274.368 0.695 0 50 CCAA CON(Cc1ccc(C)o1)C(=O)CSCC(N)=O 952993221 SIIPVIFBLHDMEA-UHFFFAOYSA-N 272.326 0.697 0 50 CCAA COC(=O)C1(CNC(=O)N2CCCCCC2)COC1 1875313119 XDFJSLXNQHWYEK-UHFFFAOYSA-N 270.329 0.762 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)NCc2cccn2C)C1=O 886088865 NIOBFFHEEWQRAE-CYBMUJFWSA-N 293.367 0.669 0 50 CCAA CO[C@H]1CCN(Cc2nc(C(=O)N3CCCO3)co2)C1 888095733 XHBHFBKFKJRURJ-JTQLQIEISA-N 281.312 0.673 0 50 CCAA Cc1cc(C(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cnn1 1339029856 PPAYFIXGCAGJNR-WUHRBBMRSA-N 257.293 0.810 0 50 CCAA C[C@H](NC(=O)NCC(=O)N(C)C)[C@H](O)c1ccc(O)cc1 1565511640 MFKPOCWBUOPEBP-ZANVPECISA-N 295.339 0.202 0 50 CCAA NC1(C(=O)N[C@H]2CCOC[C@@H]2Oc2cccc(F)c2)CC1 1565508544 UDLKYAPXAHOZHP-STQMWFEESA-N 294.326 0.970 0 50 CCAA CNC(=O)N[C@@H]1CCN(CC[C@@H]2CCCCO2)C1 408256498 LYYJDPDHPSOHSZ-NEPJUHHUSA-N 255.362 0.949 0 50 CCAA O=C(O)C[C@H](O)CNC(=O)OCc1ccccc1 38273028 FHBQZMZFAJJFDA-JTQLQIEISA-N 253.254 0.748 0 50 CCAA in-vitro C[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cscn1 630445873 HPTBPHKYTBUWMB-SECBINFHSA-N 276.339 0.771 0 50 CCAA O=C(COC[C@H]1CCOC1)N(C[C@H]1CCCN1)C1CC1 186548884 NMIHMULMVQUKSG-QWHCGFSZSA-N 282.384 0.783 0 50 CCAA Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H](C)N)cn2)n1 170599508 ZODANKGAAYRQCY-LLVKDONJSA-N 273.340 0.848 0 50 CCAA COC(=O)N1CCC[C@H](NC(=O)c2ccc(C=O)[nH]2)C1 170653972 GDLSMYNXCQBIDI-VIFPVBQESA-N 279.296 0.788 0 50 CCAA Cc1onc(N)c1S(=O)(=O)N1CCC[C@@H](N(C)C)C1 281099718 FBMRQRSMKUPIQM-SECBINFHSA-N 288.373 0.280 0 50 CCAA Cc1[nH]ncc1CCCNC(=O)[C@H]1C[C@H](F)CN1 188877275 FQFYHQPUMHZYJT-WDEREUQCSA-N 254.309 0.467 0 50 CCAA CC(=O)NCCNC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 189963999 BWPDWYXIMRZDHN-NEPJUHHUSA-N 285.388 0.873 0 50 CCAA Cc1ccc(-n2cnnc2)c(C(=O)N2CC[C@H](C(N)=O)C2)c1 559595425 ATMSUSYBEKMBLP-NSHDSACASA-N 299.334 0.523 0 50 CCAA Cc1nn(C)c2ncc(C(=O)N[C@H]3C[C@@](C)(O)C3)cc12 668032338 KVASFSNJTKOXKT-WJONMLJTSA-N 274.324 0.920 0 50 CCAA CC(=O)N1CCN(C2CSCCSC2)CC1 1506419078 WXENVOVUYYRZAK-UHFFFAOYSA-N 260.428 0.999 0 50 CCAA COc1nc(C)ccc1C(=O)NC[C@]1(O)CCOC1 330709144 NWOPDGXABRIFCH-CYBMUJFWSA-N 266.297 0.280 0 50 CCAA C[C@H](NC(=O)[C@@H](C)OC[C@H]1CCCCO1)C(=O)O 263018242 SGFDBDXBIHZALF-IVZWLZJFSA-N 259.302 0.550 0 50 CCAA Cc1cnc(CCNC(=O)[C@]23C[C@H]2CCN3)s1 1615044410 CARDIOLRLYNMSA-SKDRFNHKSA-N 251.355 0.862 0 50 CCAA COc1cccn(CC(=O)N2C[C@H]3CCCN[C@H]3C2)c1=O 1616106924 ZSBUAUAYDDSPKA-NEPJUHHUSA-N 291.351 0.067 0 50 CCAA C=CS(=O)(=O)CCN1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1615554661 YIPWDFMPOOJSDC-YNEHKIRRSA-N 289.397 0.813 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)N1CCC(O)CC1 1615551126 ALWNBOHLMHRIIL-MRXNPFEDSA-N 290.363 0.779 0 50 CCAA O=C1CO[C@@]2(CCN(c3nnc(C4CCC4)o3)C2)CN1 1772815272 OBFOCYKJASCVJM-ZDUSSCGKSA-N 278.312 0.432 0 50 CCAA CN1CCN(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)CC1 5245556 MLROMJDJCVCART-LSDHHAIUSA-N 295.383 0.387 0 50 CCAA C[C@@H](CCn1cccn1)NC(=O)[C@@H]1CN(C)CC[C@H]1O 19841966 NNAWZUUCYWWRDY-YNEHKIRRSA-N 280.372 0.091 0 50 CCAA Cc1nc[nH]c1CC(=O)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857732815 IHBREWDHWBNNNF-WXHSDQCUSA-N 279.340 0.259 0 50 CCAA C[C@@H]1CCC[C@@H](OCC(=O)N2CCO[C@@H](C(=O)O)C2)C1 532256435 FHRZKDYLTSSNAH-IJLUTSLNSA-N 285.340 0.894 0 50 CCAA O=C(CCn1cccn1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644226964 GJNQOUJIVVQVRX-MJBXVCDLSA-N 292.383 0.377 0 50 CCAA COCc1cc(N2C[C@@H]3COC[C@]3(C(=O)O)C2)ncn1 900961504 GDRFPWJRXQOPDD-NOZJJQNGSA-N 279.296 0.160 0 50 CCAA Cn1ncnc1C(=O)NC[C@H]1CCCN1CC(F)(F)F 902969158 AAULPDXYCBBEMI-MRVPVSSYSA-N 291.277 0.572 0 50 CCAA CN1CCC[C@@H]1[C@](C)(O)c1ccc(OCC(N)=O)cc1 818024818 RBXIEFNQDSLUJT-UKRRQHHQSA-N 278.352 0.852 0 50 CCAA CC[C@@H]1C(=O)NCCN1Cc1ccc(-c2nn[nH]n2)o1 825176443 TUTUTGFEXUPCLW-SECBINFHSA-N 276.300 0.170 0 50 CCAA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2O)cc1O 219854414 JKLDNRCRMGCWGJ-MWLCHTKSSA-N 267.281 0.280 0 50 CCAA OCCOCCN1CCN(C[C@@H]2CC=CCC2)CC1 22027682 KOOUCMCAUHLOOH-OAHLLOKOSA-N 268.401 0.969 0 50 CCAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)CCn1cccn1 263477086 FLVJOETVNAIHHP-WDEREUQCSA-N 265.313 0.985 0 50 CCAA Cc1nn(C)c(C)c1CC(=O)N(C)[C@H]1CCNC1 179078462 CIZQPEIIEFPZFY-NSHDSACASA-N 250.346 0.400 0 50 CCAA COc1cc(C(=O)N2C[C@@H](O)C[C@@H]2C)cc(C)n1 407968712 UUCULZPPNSSJII-ONGXEEELSA-N 250.298 0.994 0 50 CCAA Cn1nccc1C[C@H]1CCN(C(=O)C2(C)CNC2)C1 2325809137 JEYRSTBASGWPDZ-LLVKDONJSA-N 262.357 0.421 0 50 CCAA NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 116750 FDZUTDSBKXJZCB-UHFFFAOYSA-N 263.322 0.822 0 50 CCAA CN(C)C(=O)[C@H]1CN(Cc2ccn3ncnc3c2)CCO1 2356137006 FAODGCXXIYYUEO-GFCCVEGCSA-N 289.339 0.018 0 50 CCAA NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 4671890 BBALYSZTBXCTOT-UHFFFAOYSA-N 262.309 0.789 0 50 CCAA Cc1nccc(N2CCC[C@@H](c3n[nH]c(=O)o3)C2)n1 225812460 NFIPZKFAWLBXMY-SECBINFHSA-N 261.285 0.845 0 50 CCAA O=S(=O)(N1CCCCCC1)N1CC[C@H](CO)C1 51886028 DXZCUMFHQZFYRP-NSHDSACASA-N 262.375 0.421 0 50 CCAA C[C@H](CNC(=O)CS(C)(=O)=O)N(C)c1ccccc1 67852368 CYKVKEHQLMTFQN-LLVKDONJSA-N 284.381 0.672 0 50 CCAA CCONC(=O)[C@H](Cc1ccccc1)n1nnnc1C 118309203 VEJNJTCUUMLQAW-LBPRGKRZSA-N 275.312 0.833 0 50 CCAA CCOC(=O)[C@H](N)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 22008504 CEEHCOWSYFANRT-MNOVXSKESA-N 287.337 0.014 0 50 CCAA in-vitro Cn1nccc1[C@H]1OCC[C@@H]1N=c1ccc2nncn2[nH]1 424102065 ZTBIKDAWGJAXQT-ZANVPECISA-N 285.311 0.222 0 50 CCAA Cc1noc([C@H](C)N2CCC[C@@H](NS(C)(=O)=O)C2)n1 229853505 YNTITPSGRJJDJB-WCBMZHEXSA-N 288.373 0.453 0 50 CCAA COC(=O)[C@H](C)CNC(=O)c1ccnc(CN)c1 361610542 NRQXBTDDWTVTOP-MRVPVSSYSA-N 251.286 0.079 0 50 CCAA Cc1cc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)no1 328626606 FFYBJMOBFGNRFO-SECBINFHSA-N 277.284 0.802 0 50 CCAA CC(=O)N[C@H](C(=O)N1CC[C@@H](C(=O)O)C1)C1CCCC1 236679675 KUCWKMYHYWXBTK-NEPJUHHUSA-N 282.340 0.614 0 50 CCAA O=C(N[C@H]1CCNC1)N1CCN(c2ccccc2O)CC1 332101309 CLRURHMILNFRBH-LBPRGKRZSA-N 290.367 0.586 0 50 CCAA O=C(N[C@H]1[C@@H]2CNC[C@@H]21)N[C@H](C1CC1)C(F)(F)F 333332314 OLJABPJZUGNMSG-RYPBNFRJSA-N 263.263 0.844 0 50 CCAA CN(CC[C@H]1CCCCN1C)C(=O)C1=NN(C)C(=O)CC1 363566261 OWEXOOCDWCBXBZ-GFCCVEGCSA-N 294.399 0.927 0 50 CCAA CS(=O)(=O)C1CN(C(=O)C[C@H]2C=CCCC2)C1 333549703 UJSNEPKBSUKNAB-JTQLQIEISA-N 257.355 0.988 0 50 CCAA CN(C)C/C=C/C(=O)N(C)[C@@H]1CCCCNC1=O 377792531 YHJGEZBWORKIOW-LXSSAFMLSA-N 253.346 0.231 0 50 CCAA O=C(CCCn1cnnn1)N1CCC2(CCOCC2)CC1 71749530 ZUKRGIZBIAXCIZ-UHFFFAOYSA-N 293.371 0.873 0 50 CCAA C[C@@H](CC(=O)NCCCC(=O)O)[C@@H]1CCCNC1 157037567 LDOZPIRNCLBDCF-WDEREUQCSA-N 256.346 0.993 0 50 CCAA CCn1ncnc1CN1CCc2c(c(CO)nn2C)C1 216228677 MXZORHPWBXPGNM-UHFFFAOYSA-N 276.344 0.082 0 50 CCAA CC1=C[C@H](C)CN(C(=O)C(C)(C)NS(C)(=O)=O)C1 336551877 PFPNYFSZPCCPDC-VIFPVBQESA-N 274.386 0.739 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc3ncccc3c2)C1 284877523 QIEBTEZKZJMUQA-JSGCOSHPSA-N 299.330 0.950 0 50 CCAA O=C(Cn1ncc2ccccc21)N1CCOC[C@H]1CO 223724166 VNAMVAWLNPPWSI-GFCCVEGCSA-N 275.308 0.256 0 50 CCAA Cn1cc(CNc2cc(C3CC(N)C3)nc(N)n2)cn1 220603401 PHBPSUOISXGEEK-UHFFFAOYSA-N 273.344 0.609 0 50 CCAA COCCN(Cc1nccs1)C(=O)CN(C)C(N)=O 426571479 KUUIJKCLBGZUQD-UHFFFAOYSA-N 286.357 0.129 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)N(C)[C@@H]2CCNC2)n1 179122723 AYKLEYBINYXDDV-NWDGAFQWSA-N 250.346 0.881 0 50 CCAA C[C@H](NS(C)(=O)=O)c1nc(-c2cccnn2)no1 95512419 JPSWFTOUPGPGNV-LURJTMIESA-N 269.286 0.137 0 50 CCAA CCN1C[C@H](C(=O)NCCCc2cnn(C)c2)CCC1=O 91586427 SMIXHEIDSULZTE-CYBMUJFWSA-N 292.383 0.727 0 50 CCAA Cc1n[nH]c(C)c1CCCN(C)C(=O)CN(C)C(N)=O 426492748 FMRJQPVAPZOWPX-UHFFFAOYSA-N 281.360 0.428 0 50 CCAA Cc1cccnc1NCCNC(=O)CCC(=O)O 426387718 PAWCEJRMBGEZTF-UHFFFAOYSA-N 251.286 0.783 0 50 CCAA CNCCCNC(=O)c1cnc(-c2ccncc2)nc1 97578980 PKXGJTOJPMNREZ-UHFFFAOYSA-N 271.324 0.878 0 50 CCAA C[C@H](OCC(F)(F)F)C(=O)N1CC[C@@H](C(=O)O)C1 237561403 AGDDDMDGXBQBAB-NKWVEPMBSA-N 269.219 0.887 0 50 CCAA CCN1C[C@H](C(=O)N(C)CCn2nc(C)cc2C)CC1=O 91707297 BWKGGJCOIVXVMV-CYBMUJFWSA-N 292.383 0.827 0 50 CCAA COc1c[nH]c(C(=O)NCc2cccn2C)cc1=O 524733393 OBAPMGPNTPYWSE-UHFFFAOYSA-N 261.281 0.652 0 50 CCAA Cc1c[nH]c(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)n1 244678764 IJQIZQFEUMTVBR-ADEWGFFLSA-N 289.339 0.694 0 50 CCAA CN(c1ccc(C(=O)N[C@H]2CCNC2)cc1)S(C)(=O)=O 244633292 GANUGJIKXWMSGQ-NSHDSACASA-N 297.380 0.174 0 50 CCAA Cc1cc(C(=O)N2CCC[C@H]2Cn2ccnn2)[nH]n1 299742867 IZGQGPOTFGIMBE-JTQLQIEISA-N 260.301 0.614 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C2(N)CCCC2)CC1=O 299749764 LKYUPSULAPUYCY-VWYCJHECSA-N 265.357 0.383 0 50 CCAA CN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1 299753820 ZMAHMVAYRNKBMG-PRHODGIISA-N 296.348 0.811 0 50 CCAA Cc1ccc(CNC(=O)NC[C@]2(O)CCCNC2)cc1 534663384 TYWLKGQLKKUTPP-HNNXBMFYSA-N 277.368 0.909 0 50 CCAA O=C(Cc1ccccc1F)N[C@H]1CCOC[C@@H]1O 629218978 YDDSAFSLYJVCBZ-RYUDHWBXSA-N 253.273 0.634 0 50 CCAA Cc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)cc(O)n1 534657490 DUVRTXLVKDXTOQ-STQMWFEESA-N 291.351 0.689 0 50 CCAA CN1CCCN(CC(=O)NCC[C@@H]2CCOC2)CC1 823778386 SHCUIFBNPVZKPQ-CYBMUJFWSA-N 269.389 0.167 0 50 CCAA Cc1nccn1C[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 584890930 COJCCBOCINUQNA-LBPRGKRZSA-N 299.396 0.475 0 50 CCAA COCCN(C)CC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 670458550 ASENIYNHOLSBOK-LBPRGKRZSA-N 299.415 0.328 0 50 CCAA C=CC(=O)N1CCC(C(=O)NO[C@@H]2CCCCO2)CC1 1875369456 OZFIDFMPESBZCZ-CYBMUJFWSA-N 282.340 0.985 0 50 CCAA N=C(N)NC(=O)[C@@H]1CCCN(CCc2ccccc2)C1 1875301208 DPALHHPYEKLTEP-CYBMUJFWSA-N 274.368 0.951 0 50 CCAA CCN(CC)C(=O)N1CCN([C@H]2CCOC[C@H]2OC)CC1 952879869 ADSIKGLEIYDCPM-UONOGXRCSA-N 299.415 0.870 0 50 CCAA O=C(N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O)[C@@H]1Cc2nccn2C1 1875304817 VXCYBLYXXKWFHP-LZQZFOIKSA-N 289.335 0.671 0 50 CCAA CC(C)[C@@H]1C=CCN1C(=O)[C@@H]1CCCN(CC(N)=O)C1 952869478 LJSJMRORFIPRHS-OLZOCXBDSA-N 279.384 0.607 0 50 CCAA CCC[C@H]1C[C@H]1C(=O)NCC1CCN(C(=O)CO)CC1 952983069 NVSUAWHNUKUVIF-QWHCGFSZSA-N 282.384 0.770 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N(C)Cc2ccon2)C1=O 886074678 MWTUDSVIWIROFX-LBPRGKRZSA-N 295.339 0.661 0 50 CCAA O=C(/C=C/c1c(F)cccc1F)N[C@H]1CNC[C@H]1O 888096604 LWVDSSOIMLUHJQ-RUULKOMLSA-N 268.263 0.427 0 50 CCAA C[C@@]1(Br)C[C@@H]1C(=O)N1CC2CC1(C(N)=O)C2 888100421 LMBPGSWXYHQQQH-YOYSSPKESA-N 287.157 0.636 0 50 CCAA N[C@@H]1CN(C(=O)COCc2cccnc2)CC12CCC2 1775962437 KWFJCHKTFCXPJJ-CYBMUJFWSA-N 275.352 0.938 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C1CC=CC1 1565506554 LGVJBWVRCSAJTC-RNJOBUHISA-N 250.342 0.786 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)n1 1565528322 KOBZRRXVXHSWDJ-RYUDHWBXSA-N 276.340 0.436 0 50 CCAA CN(CC(=O)N[C@H]1COCC[C@@H]1O)Cc1ccc(F)cc1 1565530511 TYGHAFCSMGHDSQ-KBPBESRZSA-N 296.342 0.524 0 50 CCAA CN(C)c1noc(CNC(=O)c2cc(C3CC3)on2)n1 170619086 JJFOZSGXOQPWPY-UHFFFAOYSA-N 277.284 0.931 0 50 CCAA CSCC[C@H](N)C(=O)N1CCN(c2ccncc2)CC1 170678181 FOBNMDXKGIUFIB-ZDUSSCGKSA-N 294.424 0.811 0 50 CCAA O=C(NCc1cnc(O)nc1O)[C@@H]1CCC[C@H](O)C1 1074580647 NHEWSBCNMMDMHN-APPZFPTMSA-N 267.285 0.055 0 50 CCAA C[C@H](c1cccnc1)N(C)C(=O)CNC(=O)N(C)C 1506423002 VRMHLGVBKCPLIR-SNVBAGLBSA-N 264.329 0.872 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)NCCc1cnoc1 907384464 PRYAXDRJVTZGFA-UHFFFAOYSA-N 270.314 0.238 0 50 CCAA CN(Cc1nc(C(N)=O)no1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529198466 AFDOJBIHQTWXHL-YNFQOJQRSA-N 280.328 0.150 0 50 CCAA Cc1cc(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)ns1 332642741 KQMLYRVSKODWRS-VIFPVBQESA-N 288.394 0.958 0 50 CCAA CCN1[C@@H](C)CN(C(=O)c2ccn(C)n2)C[C@H]1C 585140505 GHMYYEBCXMVDRZ-PHIMTYICSA-N 250.346 0.975 0 50 CCAA C[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCCO1)C(=O)O 263018235 SGFDBDXBIHZALF-AEJSXWLSSA-N 259.302 0.550 0 50 CCAA Cn1cc(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)nn1 1615606419 XDNHWBKYKYUECR-LLVKDONJSA-N 296.327 0.920 0 50 CCAA COc1ccc(C(=O)N2C[C@@H]3[C@@H](C2)C3(CO)CO)cc1C 1772705813 OHHSUWVJUZPELI-CHWSQXEVSA-N 291.347 0.676 0 50 CCAA O=C(NCc1[nH]nc2ncccc12)[C@@H]1CCS(=O)(=O)C1 1772819455 MNMBMQHXYMUXEJ-MRVPVSSYSA-N 294.336 0.009 0 50 CCAA O=C(NCC(=O)N1CCC[C@@H]1C1(O)CC1)c1ccccc1 1772806674 IBEYLGDRAGKUNA-CYBMUJFWSA-N 288.347 0.932 0 50 CCAA COC(=O)CN[C@H]1CC(=O)N(c2ccccc2)C1=O 19093813 JCVSLSAFAIQADW-JTQLQIEISA-N 262.265 0.081 0 50 CCAA COC(=O)C(=C/C=C/N1CCOCC1)C(=O)OC 19774122 VWKOXIIBMGFPSZ-HWKANZROSA-N 255.270 0.105 0 50 CCAA Cc1cc2c(cn1)CN(C(=O)[C@H]1CN(C)CCO1)C2 1857719893 XZUIIHIAOWUQIH-CYBMUJFWSA-N 261.325 0.563 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2cc(OC)ccn2)C1 643814898 BCRNBIZAEOYYNZ-OAHLLOKOSA-N 293.367 0.553 0 50 CCAA Nc1cncc(N2CCC(N3CCOC3=O)CC2)n1 1857670928 HTWCYLRORUSYST-UHFFFAOYSA-N 263.301 0.480 0 50 CCAA CC(C)N1C(=O)C[C@@H](Nc2nccnc2F)C1=O 858434986 VUKBPNYRZBKULL-SSDOTTSWSA-N 252.249 0.564 0 50 CCAA COC(=O)c1nccc(N(C)C[C@H]2CCC[C@@H]2O)n1 596175937 XEIQZQCGNFQRHK-ZJUUUORDSA-N 265.313 0.860 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)c(F)c1 952868256 HOBCZYWPGINCDH-NXEZZACHSA-N 277.292 0.837 0 50 CCAA Cn1nnc2c1[C@H](C(=O)NOCc1cccnc1)CCC2 2325773295 HPEZKNGDWFOJMG-LLVKDONJSA-N 287.323 0.878 0 50 CCAA NC[C@]1(F)C[C@@H](C(=O)N2CCCC[C@@H]2Cn2ccnn2)C1 2325779212 ONAVVOJAFUFCOF-BZPMIXESSA-N 295.362 0.736 0 50 CCAA Cn1c(=O)n(CC2CC2)c(=O)c2nc(Cl)[nH]c21 2325788782 DCHCOVMXKGJFAV-UHFFFAOYSA-N 254.677 0.487 0 50 CCAA O=C(N[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2)N1CCCNCC1 892428132 UBCYOYQVQLHKJH-JZRPKSSGSA-N 265.357 0.415 0 50 CCAA COc1ccccc1CNC(=O)C(=O)NC[C@H]1CCCO1 2346342 VBIROYNISPDHLE-GFCCVEGCSA-N 292.335 0.607 0 50 CCAA CCC(=O)N1CCC[C@]12CCCN(CCO)C2=O 2356154584 AWLOFXLMAFZCPX-ZDUSSCGKSA-N 254.330 0.372 0 50 CCAA Cn1cc(NC(=O)CN2[C@H]3CC[C@@H]2C[C@@H](CO)C3)cn1 2356170089 UNPPCVJPIUQCGH-UOJUARBOSA-N 278.356 0.594 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O 3884787 XKOLKXFUAFTEET-UHFFFAOYSA-N 285.321 0.714 0 50 CCAA C[C@H](NC(=O)[C@@H]1CCC[C@@H]1CN)C(=O)N1CCCC1 135364581 CCJGRSLMJBTTLW-QJPTWQEYSA-N 267.373 0.489 0 50 CCAA CN(C)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 21768463 MBQZAPBZVXKCRQ-UHFFFAOYSA-N 298.364 0.409 0 50 CCAA CC[C@@H](C(N)=O)N(c1cccc(OC)c1)S(C)(=O)=O 65365093 RNCMNKPCDQSIEY-NSHDSACASA-N 286.353 0.725 0 50 CCAA COC(=O)C(=O)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C 110760163 AVXMLTOFBZEKDF-UHFFFAOYSA-N 281.264 0.733 0 50 CCAA O=C(CCCn1cnnn1)Nc1cnc2n1CCCC2 67908522 FNDNCGGSMUGXNO-UHFFFAOYSA-N 275.316 0.625 0 50 CCAA Cc1nn(C[C@@H]2CCCS(=O)(=O)C2)c(=O)s1 329019866 SDKGAQDHZTZBJE-QMMMGPOBSA-N 262.356 0.438 0 50 CCAA CC(C)c1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)on1 70768463 NZAJAJJYAVODBT-SECBINFHSA-N 286.353 0.963 0 50 CCAA CC(C)CONC(=O)N1CCS(=O)(=O)C(C)(C)C1 127944358 MOFYAHZMGBDAAF-UHFFFAOYSA-N 278.374 0.793 0 50 CCAA CCCn1nccc1C(=O)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 71746442 GYWQGLGCSMDAAR-VWUVDNNOSA-N 293.367 0.497 0 50 CCAA CS(=O)(=O)NC[C@H]1CCCN(c2ccc(F)cn2)C1 283406991 AOBBJIFIYBMMIX-SNVBAGLBSA-N 287.360 0.986 0 50 CCAA Cc1noc(C)c1CN1CCN(C(=O)[C@H]2CCNC2)CC1 237606939 LQUCKRTYWPXTTN-ZDUSSCGKSA-N 292.383 0.545 0 50 CCAA O[C@@]1(CN2CCC(c3cc[nH]n3)CC2)CCCNC1 72478958 FOWQUYIVFDGPNG-AWEZNQCLSA-N 264.373 0.704 0 50 CCAA CCN(CCn1cccn1)C(=O)[C@@H](O)CCSC 215189529 HFBLPEIPRBFWJT-NSHDSACASA-N 271.386 0.846 0 50 CCAA COC[C@@]1(C(=O)O)CCCN(C(=O)[C@@H](C)n2cccn2)C1 262806912 DBEHQYKYUCWOGC-BXUZGUMPSA-N 295.339 0.784 0 50 CCAA Cc1c(-c2ccc(C(=O)O)cc2)c(=O)n(C)c(=O)n1C 32518064 BAMGTXLSBKNKDR-UHFFFAOYSA-N 274.276 0.758 0 50 CCAA CS(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 219900202 UHIMZWNVKDYUKS-VXGBXAGGSA-N 286.353 0.305 0 50 CCAA N[C@@H]1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 45949094 BZKYBMSTDKQPOH-MRVPVSSYSA-N 258.281 0.096 0 50 CCAA CN1CCCN(CC(=O)NCc2ccc(C(=O)O)o2)CC1 223761238 FJSUALNEHSELDG-UHFFFAOYSA-N 295.339 0.232 0 50 CCAA C[C@@H](NC(=O)N[C@H]1CCCN(C)C1=O)c1csnn1 528018994 PHIACFAQOVLJRS-SFYZADRCSA-N 283.357 0.519 0 50 CCAA CCCn1cnnc1CNC(=O)[C@H](C)NC(=O)OC 220430605 HMPGUFVKNSFPQG-QMMMGPOBSA-N 269.305 0.049 0 50 CCAA CC(C)N1C[C@H](NC(=O)N(C)Cc2ncc[nH]2)CC1=O 426405179 RBLTZKNRHYEPBO-SNVBAGLBSA-N 279.344 0.560 0 50 CCAA CCC1=NO[C@@H](CSc2nnc(CCN)n2C)C1 426465076 DBMKACQYAMVLEB-SECBINFHSA-N 269.374 0.963 0 50 CCAA C[C@@H]1CN(C(=O)CCc2cc(O)no2)CC[C@]1(C)O 91745785 LVHJWXXONZERFL-RNCFNFMXSA-N 268.313 0.932 0 50 CCAA Cc1ccc(C(=O)NCCc2cnn[nH]2)cc1OCCN 426712161 OLWPCVXGUVVUPS-UHFFFAOYSA-N 289.339 0.423 0 50 CCAA CC(C)(C)N1C[C@H](C(=O)NCc2ccon2)CC1=O 91829960 CLUGWAINVSPTGG-SECBINFHSA-N 265.313 0.938 0 50 CCAA CN(CCCc1nccn1C)Cc1nc2ncccn2n1 244787542 PZCHOPHPWGBEQJ-UHFFFAOYSA-N 285.355 0.922 0 50 CCAA CS(=O)(=O)NCCC(=O)N[C@@H]1CCc2ccccc2C1 244795380 RFJQAYPLRFHJOM-CYBMUJFWSA-N 296.392 0.599 0 50 CCAA CNC(=O)c1cccnc1C[C@@H]1CC(=O)N(CCOC)C1 252490403 KSRMKLASGIDDMY-LLVKDONJSA-N 291.351 0.479 0 50 CCAA Cc1ccc(NC(=O)NCC(=O)N2CCOCC2)nc1 184308943 VULMGXZJYPRYPK-UHFFFAOYSA-N 278.312 0.370 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cc(C)ccc1C 534658201 RGMXHJQWIGSPCL-STQMWFEESA-N 298.408 0.911 0 50 CCAA CCOC(=O)c1nn(C)c2c1CCc1cnc(N)nc1-2 116519267 GUAHQNVJSKHHDA-UHFFFAOYSA-N 273.296 0.735 0 50 CCAA CN1CCC(OCCCNC(=O)c2csc(N)n2)CC1 534584996 JYTSOWMCNLONNP-UHFFFAOYSA-N 298.412 0.956 0 50 CCAA N[C@H]1CCN(C(=O)CCN2CCCCCC2=O)C1 534632986 KPSIQPPOIMPKSK-NSHDSACASA-N 253.346 0.339 0 50 CCAA Cc1c[nH]c(C(=O)N(C)C[C@H](C)N2CCOCC2)n1 584904144 QPWCHZNUUXXFGH-NSHDSACASA-N 266.345 0.511 0 50 CCAA COCCn1ccnc1CN1CCC[C@@H](O)CC1 670435508 PPECDQYRIOVCOL-GFCCVEGCSA-N 253.346 0.876 0 50 CCAA COc1ccc2ncn(C[C@@]3(O)CCCNC3)c(=O)c2c1 670434166 HEVGPOGQXQPDLJ-OAHLLOKOSA-N 289.335 0.520 0 50 CCAA NCc1ccccc1CNC(=O)[C@]12CNC[C@H]1CCOC2 1553353861 IPDQHPRRWBHETB-ZBFHGGJFSA-N 289.379 0.388 0 50 CCAA C[C@@H]1CN(c2cc3c(O)ncnc3cn2)C[C@@H](CO)O1 1875395243 SRUBQXGGDGUMSS-BDAKNGLRSA-N 276.296 0.316 0 50 CCAA CCNC(=O)[C@@H]1CCN(C(=O)CCc2ccnn2C)C1 952968592 NJLXJFSMCLJPLR-LLVKDONJSA-N 278.356 0.337 0 50 CCAA CON1CCC(CC(=O)N2CCN[C@@H](C)[C@@H]2C)CC1 888096361 CRBRKFSKGZDIQQ-RYUDHWBXSA-N 269.389 0.859 0 50 CCAA CC(=O)N[C@H](C)CNC(=O)c1cc(C)cn2ccnc12 1386392181 OZOLPGZZSCRJKS-SNVBAGLBSA-N 274.324 0.897 0 50 CCAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N(C)[C@@H](C)CS(C)(=O)=O 407969575 XZARPDWCUHFBNH-UKKRHICBSA-N 277.386 0.691 0 50 CCAA C[C@H]1COCCCN1C(=O)NCc1nc(N(C)C)n[nH]1 637786336 GYYAGISLTHHRJX-VIFPVBQESA-N 282.348 0.191 0 50 CCAA O=C1CCCCCN1CCCN=c1ccc2nncn2[nH]1 642092749 WNTFIVYBKSBAMB-UHFFFAOYSA-N 288.355 0.751 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cccc2c1OCO2 643762868 LJDPMKCRKQVGJB-HNNXBMFYSA-N 292.335 0.882 0 50 CCAA CCc1cc(C(=O)N2CCC[C@]2(COC)C(=O)NC)n[nH]1 644060173 NKINDZQHMFHABB-AWEZNQCLSA-N 294.355 0.339 0 50 CCAA CN(C(=O)C[C@H]1CS(=O)(=O)CCN1C)c1cccnc1 644348153 MKRIZULKFLSABI-LBPRGKRZSA-N 297.380 0.163 0 50 CCAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC1Cc2ccccc2C1 668507831 IKKOMLVWVJFMSJ-KBPBESRZSA-N 281.377 0.555 0 50 CCAA O=C(N[C@H]1C[C@H](C(=O)O)C1)N1C2CCC1(CO)CC2 723035111 GOJZUGXICALEEE-TYQJRSCTSA-N 268.313 0.549 0 50 CCAA COc1ccnc(N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 1704302422 KHJUZPRPXQVFSM-ZYHUDNBSSA-N 289.339 0.557 0 50 CCAA CC(C)(O)C1CN(C(=O)N=c2ccn(CC(F)F)[nH]2)C1 331823193 WUJIEDJDBZYMSM-UHFFFAOYSA-N 288.298 0.805 0 50 CCAA CNC(=O)c1ccc(N2CC[C@@](C)(C(=O)O)C2)nc1 1614994203 QGKSLMFODBNGHA-CYBMUJFWSA-N 263.297 0.742 0 50 CCAA COC(=O)CCNC(=O)c1cn2c(n1)C[C@H](C)CC2 585129478 LCYXOJUPLUTOIH-SECBINFHSA-N 265.313 0.758 0 50 CCAA Cc1ccc(OCC(=O)N2C[C@H]3[C@H](C2)C3(CO)CO)cc1 1772711071 WKKNJEGZNCTWLS-KBPBESRZSA-N 291.347 0.433 0 50 CCAA Cc1nnn(CC(=O)Nc2cc(-c3ccccn3)nn2C)n1 19606759 ONPHMOUZNFNWIZ-UHFFFAOYSA-N 298.310 0.416 0 50 CCAA CN1N=C(C(=O)Nc2cnc3ccccn3c2=O)CCC1=O 1875246028 XQROMMZYBISMOM-UHFFFAOYSA-N 299.290 0.241 0 50 CCAA CCO[C@@]1(c2nnc3n2C[C@@H](C(=O)OC)CC3)CCOC1 601043770 BHQDARCUFWDHBI-HZMBPMFUSA-N 295.339 0.666 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2ccn(C3CCCC3)n2)CCO1 238130444 KRFILSKIZQPYJH-GFCCVEGCSA-N 293.323 0.924 0 50 CCAA Cn1nncc1CNC(=O)[C@]1(O)CCc2ccccc2C1 366476208 QYTXVSNPYRQVCS-HNNXBMFYSA-N 286.335 0.351 0 50 CCAA COC[C@H](C)S(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3OC 375677362 HYKLYFQNAFUKEC-PJGZEUCASA-N 289.397 0.706 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CC[C@](C)(C(=O)OC)C1 901050741 OOCLKNYJKJJQCT-AWEZNQCLSA-N 282.340 0.433 0 50 CCAA Cn1cc(C(=O)N2CCC[C@@H](C3(O)CC3)C2)ccc1=O 1772807916 CRMOQLDZNCNYCZ-GFCCVEGCSA-N 276.336 0.762 0 50 CCAA O=C(NCCn1cncn1)c1cccc(F)c1F 219851066 FJEOMSWEMSIZNW-UHFFFAOYSA-N 252.224 0.986 0 50 CCAA O=S(=O)(NC1CC1)[C@H]1CCN(Cc2ncc[nH]2)C1 120244260 CHJLANYNTFCQAO-JTQLQIEISA-N 270.358 0.066 0 50 CCAA CCOCC(=O)N1CCC(COC)(C(=O)O)CC1 358687942 RTXIVSXOSUNGEM-UHFFFAOYSA-N 259.302 0.363 0 50 CCAA COc1nscc1S(=O)(=O)N1CCC[C@]1(C)CO 722981738 ZIHWEWZWTFJJAQ-SNVBAGLBSA-N 292.382 0.687 0 50 CCAA OC[C@@H]1CN(c2ncnc3sccc23)CC[C@H]1O 396813496 SXXAYPISBNRDBN-WCBMZHEXSA-N 265.338 0.871 0 50 CCAA CNC(=O)CC1CCN(C(=O)C2CC(NC)C2)CC1 1341582424 SOFUPIZZWVQPOR-UHFFFAOYSA-N 267.373 0.359 0 50 CCAA O=C1CCCN1CCCN1C(=O)CC[C@@H]2CNCC[C@@H]21 299761706 YPQDSMNMVYIGFA-OLZOCXBDSA-N 279.384 0.599 0 50 CCAA C[C@H](C(=O)N1[C@H]2CC[C@H]1C(=O)NC2)n1cc(Cl)cn1 2325794443 BVUJGGBCAPBNIM-JEZHCXPESA-N 282.731 0.587 0 50 CCAA O=C(O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 64334 PBBCMQAOJDGANI-UHFFFAOYSA-N 289.284 0.545 0 50 CCAA CN1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)O)CC1 339414 YSXCAKJMKCEGPG-WDEREUQCSA-N 252.314 0.427 0 50 CCAA CCOC(=O)C1(C(=O)OCC)COC(C)(C)OC1 1729424 LRRLQBPVLCTGIE-UHFFFAOYSA-N 260.286 0.882 0 50 CCAA O=C(O)c1cccc(CN2CCO[C@@H](C(=O)O)C2)c1 2356138739 GUVAKKKBPVGTSH-LLVKDONJSA-N 265.265 0.670 0 50 CCAA COCCCNC(=O)C(=O)Nc1ccccc1OC 2844029 MSNJDARVHMTXPY-UHFFFAOYSA-N 266.297 0.786 0 50 CCAA COc1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)C1 4192876 NMCQKQUWCARVDB-SECBINFHSA-N 269.322 0.612 0 50 CCAA CN[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc3c2=O)C1 134029568 RBZZOSAKCQMREJ-SNVBAGLBSA-N 286.335 0.747 0 50 CCAA CS(=O)(=O)N1CCC[C@H](c2nnc3ccccn23)C1 178920476 DZYPKRFLPSFOGM-JTQLQIEISA-N 280.353 0.868 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H]1CCCN1 53254621 VAQZRAIAVAXIIT-VIFPVBQESA-N 258.347 0.057 0 50 CCAA Cn1c2c(c(=O)n(C)c1=O)CN(Cc1ccccc1)CN2 54097473 OTLBIOOKYHLHSP-UHFFFAOYSA-N 286.335 0.469 0 50 CCAA NCCn1cc(C(=O)Nc2cnc3n2CCCC3)nn1 67433905 ARRRXECGPORWHU-UHFFFAOYSA-N 275.316 0.022 0 50 CCAA C[C@H]1OCC[C@H]1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 121520906 GMUKTHZPVWKQIQ-VXNVDRBHSA-N 297.336 0.312 0 50 CCAA COCCN1CC[C@H](CN(C)C(=O)C2(N)CCCC2)C1 1506415660 APXASFZRJSUUQB-CYBMUJFWSA-N 283.416 0.685 0 50 CCAA COCCN1C[C@@H](C(=O)NCCC2(O)CCCC2)CC1=O 404214258 YGWOYMQXOHGEIR-LBPRGKRZSA-N 298.383 0.293 0 50 CCAA Cn1cc(S(=O)(=O)NCc2nccnc2Cl)cn1 253427970 HGNPYJIGJOQWDT-UHFFFAOYSA-N 287.732 0.342 0 50 CCAA COc1ccc([C@@H](O)C(=O)NCCn2cncn2)cc1 219947114 PXUGUSXDNUOKLJ-GFCCVEGCSA-N 276.296 0.137 0 50 CCAA CC(C)n1ncnc1CNS(=O)(=O)C[C@H]1CCCO1 330888445 ASPQPSYVCZVIPS-SNVBAGLBSA-N 288.373 0.457 0 50 CCAA COc1ncc(Cl)c(N2CC[C@H]3OCC(=O)N[C@@H]3C2)n1 366615920 IHIZGGOWLBJXJF-RKDXNWHRSA-N 298.730 0.232 0 50 CCAA Cc1nc2n(c1C)CCN(C(=O)[C@@H](O)c1cccnc1)C2 369827609 HUFMONDEGQBHCW-AWEZNQCLSA-N 286.335 0.971 0 50 CCAA C[C@H]1CC[C@]2(CCN(C(=O)C(=O)NC3CCNCC3)C2)C1 335296539 BNCQFYIBRBZHHR-LRDDRELGSA-N 293.411 0.893 0 50 CCAA COCc1ccccc1S(=O)(=O)N(C)[C@@H](C)C(=O)O 262457241 RRNVERMPSIIFPH-VIFPVBQESA-N 287.337 0.927 0 50 CCAA COc1ccccc1OCC(=O)N[C@@H]1CCOC[C@H]1OC 220273903 QMMIWJVRRCSDBI-BXUZGUMPSA-N 295.335 0.994 0 50 CCAA C[C@@H](CN(C)c1ccnc(N2CCOCC2)n1)C(=O)O 263565874 VZIIXEMQMYFJEM-JTQLQIEISA-N 280.328 0.470 0 50 CCAA Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)O)O2 226087674 QANSTVADCKQCPM-SNVBAGLBSA-N 271.294 0.607 0 50 CCAA CN1CCO[C@H](C(=O)N2CCC[C@H]2c2ccc(O)nn2)C1 530074844 FCVUIXIDZSGPNY-RYUDHWBXSA-N 292.339 0.176 0 50 CCAA Cc1ccc(C(=O)NCCN2CCCOC2=O)c(=O)n1C 426496664 IZCLSGMMAVDJNC-UHFFFAOYSA-N 293.323 0.266 0 50 CCAA CN(CC(=O)N[C@@H](c1cccnc1)C(F)(F)F)C(N)=O 426649521 GIMFPIYZECKXTI-VIFPVBQESA-N 290.245 0.812 0 50 CCAA OCCCCn1cc(-c2ccc(-c3nnn[nH]3)cc2)nn1 95354102 MHBZCLLNANBEQU-UHFFFAOYSA-N 285.311 0.898 0 50 CCAA CN(C)c1nc(N)cc(N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)n1 91594040 PTFNEEHQFBVHEQ-VHSXEESVSA-N 291.355 0.672 0 50 CCAA NC(=O)c1ccc(C(=O)N2CC[C@H](O)C23CCCC3)nc1 294090150 IPGUCUYHRMPAHR-LBPRGKRZSA-N 289.335 0.700 0 50 CCAA CN(C)c1ncccc1C(=O)NCCCN1CCCC1=O 97437033 FMQYDURUWAYCDK-UHFFFAOYSA-N 290.367 0.890 0 50 CCAA Cc1cnc(CNC(=O)c2ccn3nnnc3c2)cn1 97831076 CXVMJQHWQFWTQH-UHFFFAOYSA-N 269.268 0.153 0 50 CCAA Cc1ccc(-n2nnnc2N2CCN3C(=O)NC[C@@H]3C2)cc1 267680477 PHPOJVJNRARNPY-GFCCVEGCSA-N 299.338 0.185 0 50 CCAA CNCC(=O)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 91830336 IUNNWCUMCVCUPU-INIZCTEOSA-N 293.411 0.990 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CCO[C@H](C3CC3)C2)n1 823756608 HPCNXSJLJYXWFO-ZDUSSCGKSA-N 293.371 0.927 0 50 CCAA Cc1ncc2c(n1)CC[C@H](NC[C@H](O)CN1CCCC1)C2 629554459 IDRBPNGTYLLUIE-GJZGRUSLSA-N 290.411 0.689 0 50 CCAA Cc1nccc(N2CC[C@H]3OCc4cnnn4[C@H]3C2)n1 299787713 ZYQZBQRPKUGHLK-NWDGAFQWSA-N 272.312 0.727 0 50 CCAA Cc1nn[nH]c1C(=O)N(C)C[C@@H]1CCCCN1C 584892741 FNEIRAZPBKDZRF-JTQLQIEISA-N 251.334 0.669 0 50 CCAA COCCN1CC[C@@H](CN(C)C(=O)[C@H]2CC[C@H](O)CC2)C1 584884938 JOMDVCFLXWIUND-KKUMJFAQSA-N 298.427 0.964 0 50 CCAA Cc1cc(C)n(CCC(=O)N2CCN3C(=O)OC[C@H]3C2)n1 670442346 ZPUAAOHLHKGTGH-GFCCVEGCSA-N 292.339 0.553 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)Cc2ccc(O)cc2)C1 630253799 HTBWENHBVVKWDW-AWEZNQCLSA-N 279.292 0.637 0 50 CCAA CO[C@H](C)c1noc(CN(C)C(=O)[C@H]2C[C@@H]2C(=O)O)n1 268943119 LCCUCYJAZHNEQQ-CSMHCCOUSA-N 283.284 0.456 0 50 CCAA CC(C)(C)OC(=O)NCCC[C@H](NC(N)=O)C(=O)O 685944351 KJNSVMYVVBHHIR-ZETCQYMHSA-N 275.305 0.413 0 50 CCAA O=C(CCC(=O)N1C[C@@H](O)[C@H](F)C1)NC1CCCC1 952969265 PZZWCDBYRRIGNE-GHMZBOCLSA-N 272.320 0.367 0 50 CCAA O=C(OCc1ccccc1)N1CCN[C@H](CO)C1 54965275 WYLJXEXNZWQHBJ-LBPRGKRZSA-N 250.298 0.589 0 50 CCAA in-vitro CCCC(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)CC)C1 408380406 YQDSJJWLJOPZCI-SNVBAGLBSA-N 290.385 0.491 0 50 CCAA C[C@H]1C[C@H](C(=O)Nc2ncc(C(N)=O)s2)CCO1 170592005 DRQBRSFLQIEDCS-NKWVEPMBSA-N 269.326 0.996 0 50 CCAA Cn1cc(C(=O)NCC[Si](C)(C)C)c(=O)[nH]c1=O 170617757 RUFDYCWEPBGSNB-UHFFFAOYSA-N 269.377 0.142 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)c1ncccc1O 42425267 WIRCQBGFVSQTCQ-SECBINFHSA-N 263.297 0.528 0 50 CCAA Cn1nc(C(=O)O)cc1CN[C@@H]1c2ccccc2C[C@@H]1O 635305283 HHQSRTPZSLYFBA-UONOGXRCSA-N 287.319 0.866 0 50 CCAA Cc1ncccc1NC(=O)CN1CCCC[C@H](O)C1=O 644377979 UPWWHCWAFLXQIL-LBPRGKRZSA-N 277.324 0.702 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2cnn3ccccc23)C1 648896960 DSQNAOHAWILIHI-QWHCGFSZSA-N 289.335 0.485 0 50 CCAA C[C@H](C(=O)N1CCOC[C@H]1C(=O)O)N1CCCCCC1 663025604 BLADNUZVZMHHFX-NEPJUHHUSA-N 284.356 0.563 0 50 CCAA Nc1n[nH]c(CCNC2CCN(C(=O)C3CCC3)CC2)n1 1506419654 HFTOHLDPVCGZSM-UHFFFAOYSA-N 292.387 0.310 0 50 CCAA COCCN1CC[C@@H](CN(C)c2cncc(N)n2)C1 1857680352 HIMIRFGBCNTDTA-NSHDSACASA-N 265.361 0.463 0 50 CCAA COc1ccc(N([C@H](C)C(=O)O)S(C)(=O)=O)cc1 211450 XQVIJJARWJWZEB-MRVPVSSYSA-N 273.310 0.934 0 50 CCAA in-vitro O=C(O)[C@]12CN(CCCn3cccc3)C[C@@]1(C(=O)O)C2 1704325464 LZSPWMLHBLMNFE-OKILXGFUSA-N 278.308 0.740 0 50 CCAA CC(=O)NCC(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 407980970 QDPMZSVTUKBWMR-SNVBAGLBSA-N 265.317 0.303 0 50 CCAA CN(Cc1cnn(C)c1)C(=O)c1cccn(C)c1=O 330623923 QLAGLUMEKHYNHQ-UHFFFAOYSA-N 260.297 0.391 0 50 CCAA O=C1CCCCN1CC(=O)N1CCC[C@](F)(CO)C1 336516832 VDCDNDHJYROWEJ-CYBMUJFWSA-N 272.320 0.322 0 50 CCAA C[C@H]1CN(Cc2nnn(C)n2)CCN(C2CCC2)C1 572674166 XAXNRTZUEOPDJC-NSHDSACASA-N 264.377 0.516 0 50 CCAA Cc1nsnc1C(=O)N[C@H]1CCc2c[nH]nc2C1 1775977977 NZLUCNXTXDSYIX-QMMMGPOBSA-N 263.326 0.857 0 50 CCAA O=S(=O)(NCc1cccn2nccc12)C1CCOCC1 1772806467 AFPSSJQISIPUIK-UHFFFAOYSA-N 295.364 0.933 0 50 CCAA O=[S@@](C[C@H](O)COCc1ccccc1)c1ncn[nH]1 16513292 WVHZLSMZVGECNH-NSPYISDASA-N 281.337 0.490 0 50 CCAA C[C@@](NC(=O)C[C@H]1CCCN1)(C(N)=O)c1ccccc1 154092706 FOUQGNOPKSPKBC-DOMZBBRYSA-N 275.352 0.645 0 50 CCAA CC(C)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CCN1C 408355496 AHNHEXFBMUMJKT-AGIUHOORSA-N 281.400 0.700 0 50 CCAA COc1ccc(OC)c(CNC(=O)[C@@H]2NC(=O)O[C@@H]2C)c1 225575914 KQVFLTGMWJZTLW-PRHODGIISA-N 294.307 0.817 0 50 CCAA O=C1C[C@@H](NS(=O)(=O)C2CC2)[C@@H]2CCCCN12 252509390 YMUNFTBOICIOMV-ZJUUUORDSA-N 258.343 0.222 0 50 CCAA C=CC(=O)N1CCC(c2nc(C(N)=O)no2)CC1 820436961 VTHYLKFYQDLHGO-UHFFFAOYSA-N 250.258 0.061 0 50 CCAA CC1(C(=O)NCc2ccccc2S(C)(=O)=O)COC1 1143393473 UUNPDVIWRNPERS-UHFFFAOYSA-N 283.349 0.743 0 50 CCAA C[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)cc2)[C@H]1CN 237524188 OMJVHMZKEPXLRS-MFKMUULPSA-N 275.352 0.985 0 50 CCAA C[C@@H]1CCCN(C(=O)CCn2ccccc2=O)[C@@H]1CN 156952160 BHNUNENWVKGTAZ-CHWSQXEVSA-N 277.368 0.824 0 50 CCAA COCC[C@H]1CCCN(CC(=O)N2CCNCC2)C1 670474113 BVTQDNFDACXZGO-CYBMUJFWSA-N 269.389 0.167 0 50 CCAA Cn1ccnc1CCN1CCN(C(=O)C2CCC2)CC1 670443478 CRFOYCVOULHPBU-UHFFFAOYSA-N 276.384 0.907 0 50 CCAA CCc1nc(CN2CCCN([C@@H](C)CO)CC2)no1 364894136 JMBPDXPGPIYTLO-NSHDSACASA-N 268.361 0.521 0 50 CCAA O=C(O)C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 368136936 ZCJRPWBTPNFKLB-SECBINFHSA-N 254.286 0.075 0 50 CCAA Cn1cnc2nc(N3CCN(c4cnccn4)CC3)ncc21 2100482781 YPQNKNOBAZVFJM-UHFFFAOYSA-N 296.338 0.480 0 50 CCAA O=C1CCC[C@@H](CCNC2(C(=O)O)CCOCC2)O1 2325773056 NDIJVUOTUIYQFO-JTQLQIEISA-N 271.313 0.696 0 50 CCAA CC(C)N(CCc1nn[nH]n1)C(=O)[C@@H]1CC2(CC2)CO1 2325808771 TWHHTPBDBVDRNA-JTQLQIEISA-N 279.344 0.548 0 50 CCAA O=C(O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 167453 PTCRANCXVJYTOZ-LLVKDONJSA-N 269.322 0.543 0 50 CCAA CCOc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 188988 YIVIHVRQLGWAMF-UHFFFAOYSA-N 275.264 0.714 0 50 CCAA CN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1 1163760 BELSOXONAUTRGV-UHFFFAOYSA-N 262.718 0.446 0 50 CCAA Cc1cnnc(-c2ccc(C(=O)NCC(N)=O)cc2)c1C 2356166474 YZLBYIPKSJQORG-UHFFFAOYSA-N 284.319 0.976 0 50 CCAA O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)NCCO 4006218 RKWVVJHIBYQVLI-UHFFFAOYSA-N 298.298 0.544 0 50 CCAA CC(C)(O)CCN1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 343883100 WCAGXVRGVFLLEI-QWHCGFSZSA-N 284.400 0.750 0 50 CCAA NC(=O)[C@]1(O)CCCN(CC[S@](=O)c2ccccc2)C1 346593748 UCCWCCOYSZLAIJ-XOBRGWDASA-N 296.392 0.106 0 50 CCAA COc1ccc(C(=O)N2CCc3nn(C)c(=O)cc3C2)cc1 174433044 DSXXLJQUQWYMQX-UHFFFAOYSA-N 299.330 0.987 0 50 CCAA CC(C)[C@H](Cn1ccnc1)NCC(=O)Nc1cnccn1 65405863 AUAHNSXDMNYXMW-LBPRGKRZSA-N 288.355 0.926 0 50 CCAA COCC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65425445 WOUNFCBMXZPIGU-NWDGAFQWSA-N 293.319 0.739 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H]1C(=O)O 235369966 LGAQPTRECZLLPT-BBBLOLIVSA-N 289.353 0.133 0 50 CCAA COc1ccc(S(=O)(=O)N2CCNCC2)cc1OC 34858942 FFTNIOVRBBMUEN-UHFFFAOYSA-N 286.353 0.298 0 50 CCAA C[C@@H]1CCCCN1C(=O)CSCc1nnn(C)n1 329313744 APCFGXKXQKPURW-SECBINFHSA-N 269.374 0.844 0 50 CCAA CS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NC1CCCC1 253370652 UIJOAFFZIWUOKS-DLOVCJGASA-N 286.397 0.858 0 50 CCAA COc1cccn(CC(=O)NCc2ccco2)c1=O 71502211 MWTPLYACYMRSFO-UHFFFAOYSA-N 262.265 0.766 0 50 CCAA CNC(=O)c1noc(CNc2cc(C)nc3ccnn23)n1 72447568 HWHPXAKGDZHSFE-UHFFFAOYSA-N 287.283 0.392 0 50 CCAA O=C(NS(=O)(=O)c1cnccn1)C(C1CC1)C1CC1 127834240 CWFAXNYTGDMSIX-UHFFFAOYSA-N 281.337 0.718 0 50 CCAA O=C1C[C@H](N2CCNCC2)C(=O)N1c1ccccc1 32500259 IBWUPCIAZNDGFK-LBPRGKRZSA-N 259.309 0.224 0 50 CCAA COCc1nnc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)o1 71614964 YPAWJXAPHKXYRF-AWEZNQCLSA-N 294.355 0.774 0 50 CCAA C[C@@H](CN(C(=O)c1ccc(C(N)=O)cn1)C1CC1)C(=O)O 262278697 ZEIFXKUXTPVDEE-QMMMGPOBSA-N 291.307 0.506 0 50 CCAA C[C@@H](NC(=O)c1c[nH]nn1)c1nc(C(C)(C)C)no1 174663252 CVABCDKXJWLJFW-ZCFIWIBFSA-N 264.289 0.976 0 50 CCAA N[C@@H]1CCCCN(c2cc(N3CCC(O)CC3)ncn2)C1 82121646 AAJCADLZWMXSFS-GFCCVEGCSA-N 291.399 0.755 0 50 CCAA CN(CCC(=O)O)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 178287011 NXEJVVJANCIBQB-RQJHMYQMSA-N 296.245 0.377 0 50 CCAA CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C)s2)C1 335141606 KPVCSZNJIMIPFA-SECBINFHSA-N 288.394 0.813 0 50 CCAA CC[C@H](NC(=O)CN1CCN(C)C1=O)c1ncnn1CC 426550708 YWKAZJSMEZIYPA-JTQLQIEISA-N 294.359 0.233 0 50 CCAA CSC[C@H](NC(=O)CCCc1cn[nH]c1)C(=O)O 426658241 NTMGBEDRGQHYJH-VIFPVBQESA-N 271.342 0.665 0 50 CCAA COc1cccnc1N(C)C(=O)[C@H]1COCCO1 179210271 GQEIVBFYOWHJCW-SNVBAGLBSA-N 252.270 0.468 0 50 CCAA O=C([C@H]1CCCCn2nnnc21)N1CC(c2ccccn2)C1 97288679 HMJDKNBTMIEKQM-LBPRGKRZSA-N 298.350 0.962 0 50 CCAA Cc1ccc(C(=O)NCC2(C)COC2)c(=O)n1C 426538060 HEXBTXLIIZNTJO-UHFFFAOYSA-N 250.298 0.460 0 50 CCAA CN1CCCC[C@@H]1CC(=O)NCCn1ccnn1 426491420 KSGNUQDFQAQLMB-LLVKDONJSA-N 251.334 0.269 0 50 CCAA Cc1cc(C)c(C(=O)N2CCc3[nH]cnc3C2)c(=O)[nH]1 95378318 XELJXDYDAZNVGM-UHFFFAOYSA-N 272.308 0.913 0 50 CCAA O=S1(=O)CC(CCO)(NCc2ccccc2)C1 96024419 CPBITCCKTUUWQT-UHFFFAOYSA-N 255.339 0.326 0 50 CCAA CC(C)(C)OC(=O)NCc1ccnc(S(C)(=O)=O)n1 98179517 OETOMMSENCSSKP-UHFFFAOYSA-N 287.341 0.905 0 50 CCAA C[C@@H]1CN(C(=O)c2cnc3[nH]c(O)nc3c2)C[C@]1(C)CO 620469036 IAKAAKKBESWKGQ-XLKFXECMSA-N 290.323 0.754 0 50 CCAA CN[C@@H](C)C(=O)NCCc1nc(Cc2ccccc2)no1 244701271 KDFCWQQDMJQQLE-NSHDSACASA-N 288.351 0.927 0 50 CCAA CO[C@@H]1CC[C@H]2OCCN(C(=O)N3CCOCC3)[C@@H]2C1 181710836 NJJILAHXDCNXJR-JHJVBQTASA-N 284.356 0.707 0 50 CCAA Cc1nnsc1CN(C)CC(=O)Nc1ccn(C)n1 244873454 WQRIPPMIHKFIMI-UHFFFAOYSA-N 280.357 0.651 0 50 CCAA COC(=O)[C@H]1[C@H]2[C@H]3[C@H]4[C@@H]([C@H]5[C@@H]2[C@]5(C)[C@@H]43)[C@H]1C(=O)OC 253596770 VUBLRNDLIUQCSP-TUFHNQGGSA-N 262.305 0.953 0 50 CCAA Cc1nn[nH]c1C(=O)NCC1(Cn2ccnc2)CC1 534655939 ILEAXNWRQHKQKG-UHFFFAOYSA-N 260.301 0.520 0 50 CCAA Cn1nc2c(cc1=O)CN(C(=O)c1ccoc1)CC2 263617661 OXNJWLIESOSFNP-UHFFFAOYSA-N 259.265 0.572 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1ccccc1-n1cncn1 824506622 MHYLUEBQXGYBDX-AAEUAGOBSA-N 288.307 0.411 0 50 CCAA CC(C)C(=O)NCC(=O)N1CC[C@H](C(C)(C)O)C1 584888465 BVJIWVIXUOBZOQ-JTQLQIEISA-N 256.346 0.378 0 50 CCAA COCCN1C[C@H](C(=O)N2CCCN(C)CC2)CCC1=O 824412506 YZHRQQRDYBPKSG-CYBMUJFWSA-N 297.399 0.036 0 50 CCAA Cc1noc(C)c1S(=O)(=O)NCc1nncn1C(C)C 822288460 LEMJSMMUWNBHLA-UHFFFAOYSA-N 299.356 0.942 0 50 CCAA COCCCn1cnnc1CNC(=O)c1cncc(F)c1 584889630 OYAUONFJZYQFLN-UHFFFAOYSA-N 293.302 0.779 0 50 CCAA COCCCC1CCN(CC(=O)N2CCNCC2)CC1 670453650 HRDQNVOYBJWMOP-UHFFFAOYSA-N 283.416 0.557 0 50 CCAA CCN1C[C@@H](CN(C)C(=O)C2(C)COC2)CC1=O 670437791 BQNHGEJMUOCZSB-SNVBAGLBSA-N 254.330 0.350 0 50 CCAA COc1ccccc1CNC(=O)Cn1c(C)noc1=O 1875391348 PHYUXBJVVBDHOX-UHFFFAOYSA-N 277.280 0.470 0 50 CCAA Cc1csc(CNC(=O)[C@@H]2NCCc3c2cnn3C)n1 1875392474 DWMBVNDCVARWDJ-GFCCVEGCSA-N 291.380 0.688 0 50 CCAA COCC(=O)N1[C@@H](C)CN(Cc2nncs2)C[C@@H]1C 1875271489 UAXXXFKBNITKOQ-UWVGGRQHSA-N 284.385 0.606 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1n1cc(N)cn1 952876334 NAZRJMZPWGYKGP-ZJUUUORDSA-N 268.317 0.930 0 50 CCAA CC(C)c1cc(NCCn2ccc(O)nc2=O)ncn1 952881939 OISXPCPJVBOVPB-UHFFFAOYSA-N 275.312 0.974 0 50 CCAA O=C(NCC1CCN(C(=O)CO)CC1)[C@H]1CC12CC2 952971056 RGPRBOLLDAKSJC-LLVKDONJSA-N 266.341 0.134 0 50 CCAA Cn1cccc1CN1CCC[C@@](O)(Cc2nncn2C)C1 886088084 BQIJSLWVFIKFNO-OAHLLOKOSA-N 289.383 0.723 0 50 CCAA NC[C@H](O)CNC(=O)/C=C/c1c(F)cccc1F 888096576 KKTHQWGVWUANEZ-ZJELKQJVSA-N 256.252 0.414 0 50 CCAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 247028495 ZRYIPEXYTGLSOY-SDDRHHMPSA-N 265.357 0.065 0 50 CCAA CC[C@@H]1CN([C@H]2CCOC2=O)CCN1CCOC 247254499 UHIUFGNBIZVZLH-NEPJUHHUSA-N 256.346 0.345 0 50 CCAA NC(=O)c1ccnn1CCS(=O)(=O)C1CCCCC1 899918248 KNFNXCOICOBUHG-UHFFFAOYSA-N 285.369 0.730 0 50 CCAA C[C@@]1(O)CCN(C(=O)CCc2ccncc2)C[C@@H]1O 96164606 XFORZQNRRPPHBF-GXTWGEPZSA-N 264.325 0.358 0 50 CCAA C1C[C@@H](N2CCOCC2)CCN([C@@H]2CCOC2)C1 408522770 DDMJGNVFLIKMMP-ZIAGYGMSSA-N 254.374 0.962 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)c1ccc2c(c1)B(O)OC2 584996255 CGMOJEHLHALDTQ-UHFFFAOYSA-N 299.139 0.217 0 50 CCAA O=C(N[C@H]1CCCOC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 171685148 ZLZACIDGLQSNSL-IUCAKERBSA-N 294.273 0.692 0 50 CCAA c1cc2n(n1)C[C@H](CN1CCO[C@@H]([C@@H]3CCCO3)C1)CN2 684195452 AITGLWHMEIHVSN-MELADBBJSA-N 292.383 0.805 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cc[nH]c1 644227887 VTGGLZPJUNUUEK-UPJWGTAASA-N 263.341 0.732 0 50 CCAA CCc1ccncc1NC(=O)[C@H]1C[C@H](O)CN1C(C)=O 652897506 UKQCAHAZWXBICD-WCQYABFASA-N 277.324 0.564 0 50 CCAA Cc1ccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 223099778 HAIKIYVHHZHPJW-KKOKHZNYSA-N 256.323 0.526 0 50 CCAA CCn1ccc(CC(=O)N2CCC[C@H]2C(=O)O)n1 652069551 PYSYGBBWVYSIJY-JTQLQIEISA-N 251.286 0.521 0 50 CCAA CC[C@H](C)NC(=O)CN1C[C@@H](N(C)C)C2(CCOCC2)C1 1615614661 IHXOKGRFLMBONR-UONOGXRCSA-N 297.443 0.944 0 50 CCAA CC(C)Cc1cc(C(=O)N2C[C@H](O)[C@@H](F)C2)nc(O)n1 1615696952 LQILNWFDEWFHFE-ONGXEEELSA-N 283.303 0.536 0 50 CCAA COCc1noc(CCNC(=O)[C@@H]2CCC[C@H](O)C2)n1 1565515774 YGQJCQNVLYGYDJ-ZJUUUORDSA-N 283.328 0.426 0 50 CCAA Cc1nc(O)c2c(n1)C1(CC2)CCN(S(C)(=O)=O)CC1 1857715813 JOWQOVFLKPDYLQ-UHFFFAOYSA-N 297.380 0.730 0 50 CCAA CC(C)(CO)COB(O)c1cnn([C@@H]2CCCCO2)c1 169744915 FVLPTYIVZRJONB-LBPRGKRZSA-N 282.149 0.305 0 50 CCAA Cc1nc(N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)c2[nH]ccc2n1 1857705069 RGDHBQOPHDSTJL-QZHINBJYSA-N 288.351 0.834 0 50 CCAA CCc1nc(CN(C)C(=O)[C@H]2CC[C@H](N)[C@@H](OC)C2)no1 1857739310 ICLZGGJBVKAJRP-DCAQKATOSA-N 296.371 0.733 0 50 CCAA C[C@H]1CN2C[C@H](NC(=O)CCc3cn[nH]c3)C[C@H]2CO1 1875249275 PMVKPISJJIXJIP-UHTWSYAYSA-N 278.356 0.320 0 50 CCAA Cc1nc(O)cc(CNC(=O)[C@H]2CCn3nccc3C2)n1 1875250925 CUNQJVWFFLNCRQ-JTQLQIEISA-N 287.323 0.566 0 50 CCAA Cc1ccc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1O 330638595 BDAMTNRSAOJDDZ-LLVKDONJSA-N 283.349 0.546 0 50 CCAA O=C(c1ccc2c(c1)CCO2)N1CC[C@H](CO)[C@@H](O)C1 684986425 ZVQMLHXKRRMNGK-OLZOCXBDSA-N 277.320 0.437 0 50 CCAA COCCn1ccc(NC(=O)c2ccc3nncn3c2)n1 157936730 ZPGXWVXCYIORRY-UHFFFAOYSA-N 286.295 0.825 0 50 CCAA CNc1ccccc1CNCC1CN(S(C)(=O)=O)C1 902501797 LFWFWPJVBIFXCE-UHFFFAOYSA-N 283.397 0.709 0 50 CCAA Cc1ncsc1CN1CC[C@H](C(=O)O)[C@H](O)C1 1704315595 LPNGDRVOTMJENY-DTWKUNHWSA-N 256.327 0.719 0 50 CCAA CC1(C)CNC(=O)[C@@H]1NCCc1nnn(C(C)(C)C)n1 931652179 NISXRFDHLMUVRX-JTQLQIEISA-N 280.376 0.085 0 50 CCAA C[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)C[C@H]1N 235690391 ZWTGFYBJQACYMH-JOYOIKCWSA-N 273.336 0.991 0 50 CCAA C[C@@]1(C(=O)O)CCCN1C[C@@H](O)CN1CCCC1 311086180 XSJYKYWQZOYHSB-AAEUAGOBSA-N 256.346 0.382 0 50 CCAA COCC1(C(=O)NC2CCN(CC(=O)O)CC2)CCC1 426506855 SRJKFTODZDZDER-UHFFFAOYSA-N 284.356 0.468 0 50 CCAA CNS(=O)(=O)C[C@@H]1CCCN1C[C@@H]1CC[C@@H](C)O1 332662207 GFCHTADLKJJXKI-WOPDTQHZSA-N 276.402 0.568 0 50 CCAA COCc1noc(CN2CCC[C@@]2(COC)C(=O)O)n1 643877944 FEIGXBAQZLWPFA-GFCCVEGCSA-N 285.300 0.282 0 50 CCAA CO[C@@H](C)[C@H](C)NCC1(O)CN(C(=O)OC(C)(C)C)C1 895205791 HLZANIQMZAAYMM-QWRGUYRKSA-N 288.388 0.981 0 50 CCAA Cn1nncc1C(=O)N1CC[C@H](C(=O)O)CC12CC2 2325778277 OSTGDJFBMKPFTM-QMMMGPOBSA-N 264.285 0.285 0 50 CCAA C[C@@H](C(=O)O)C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 900470020 QTJCFIYCNMQBKY-BWVDBABLSA-N 255.270 0.276 0 50 CCAA CCOC(=O)C1=C(C)O[C@]2(O)c3ccccc3C(=O)[C@@]12O 187384 UGGKRXKFQMVAEG-LSDHHAIUSA-N 290.271 0.626 0 50 CCAA CC1(C)OC[C@@H](CNC(=O)NC[C@@H]2COC(C)(C)O2)O1 403264 RPNILTMIKUTCIE-NXEZZACHSA-N 288.344 0.589 0 50 CCAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1 556193 UFAPTAYBYWFFKM-CYBMUJFWSA-N 292.335 0.860 0 50 CCAA Cn1ccc2ccc(C(=O)N3CCS(=O)(=O)CC3)nc21 2356135661 NWRXFQONMKMLGM-UHFFFAOYSA-N 293.348 0.444 0 50 CCAA CN1CCc2cc(-c3nc(C(=O)O)nn3C)cnc21 2356137249 UUZIWUILMBMGHY-UHFFFAOYSA-N 259.269 0.568 0 50 CCAA Cn1nnnc1[C@H]1CN(c2ncc(Cl)cc2F)CCO1 2356139370 WUUKSJQFEZRBDL-SECBINFHSA-N 298.709 0.976 0 50 CCAA O=C(NC[C@H](O)c1cccc(O)n1)c1cnc2cccnn12 2356163121 YPKQPQNHPOUAFL-NSHDSACASA-N 299.290 0.293 0 50 CCAA CC(C)NC(=O)C(=O)Nc1sc2c(c1C(N)=O)CCC2 6758961 OFSLEEVXLBMOCN-UHFFFAOYSA-N 295.364 0.799 0 50 CCAA COc1ccc(/C=C2/C(=O)N=C(N)N2C)cc1OC 8828811 CZWAUTLDAMSCLA-TWGQIWQCSA-N 261.281 0.831 0 50 CCAA biogenic CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)COC)C1 103474088 CFCSLLVAEIMVGF-MNOVXSKESA-N 292.401 0.199 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCCCNC2=O)C1 248856193 NVOVRWSEVLNMAP-MNOVXSKESA-N 289.401 0.221 0 50 CCAA CC(C)CN1C[C@H](C(=O)N2CCc3[nH]cnc3C2)CC1=O 65528546 ZUESNFSUJRUIEM-LLVKDONJSA-N 290.367 0.799 0 50 CCAA Cc1cc(C)n(NC(=O)COC[C@H]2CCCO2)c(=O)c1 20321484 PEYXXMJKMDLANX-GFCCVEGCSA-N 280.324 0.731 0 50 CCAA Cc1ccc(NC(=O)CNC(=O)[C@@H]2COCCO2)c(F)c1 67757009 USXYSWNMVPATSJ-LBPRGKRZSA-N 296.298 0.604 0 50 CCAA CC(C)[C@H](CN1CCOCC1)NC(=O)c1ncccn1 252539125 NSPKWXWERSUTPA-LBPRGKRZSA-N 278.356 0.563 0 50 CCAA COCc1noc(CCNC(=O)c2cnn(C(C)C)c2)n1 77470813 LWIZLUNCROYKMC-UHFFFAOYSA-N 293.327 0.966 0 50 CCAA CCNc1ncc(C(=O)NC[C@@]2(O)CCCNCC2)cn1 72159129 IXTCJWBGCRGYKH-CQSZACIVSA-N 293.371 0.143 0 50 CCAA O=C1CN(C(=O)C2(O)CCCC2)CN1CC1CC1 333359083 XDLJRLHOVARFQX-UHFFFAOYSA-N 252.314 0.330 0 50 CCAA O=C(CCO)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 72154420 JLKBWMPKSQUUPL-LBPRGKRZSA-N 280.299 0.425 0 50 CCAA CCCC[C@@H](NC(=O)[C@H](C)N1CCOCC1)C(=O)O 262335079 ZDLFURNILQNTLU-WDEREUQCSA-N 272.345 0.467 0 50 CCAA CCS(=O)(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 374269589 JHIGZZONWAJUGL-GFCCVEGCSA-N 289.445 0.436 0 50 CCAA N[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 158437644 QCMHPROHTWIMSH-BDAKNGLRSA-N 293.289 0.347 0 50 CCAA CCN(CCn1cccn1)C(=O)c1cc(C)nc(N)n1 216490927 CDNVFZQJXTZZAL-UHFFFAOYSA-N 274.328 0.726 0 50 CCAA CC(=O)NC[C@H]1CN(C(=O)C2C=CC=CC=C2)CCO1 242324499 ZBUDGFUTSPEXAB-AWEZNQCLSA-N 276.336 0.648 0 50 CCAA Cc1nc([C@@H](C)NC(=O)CN(C)C2CCN(C)CC2)n[nH]1 221442725 CQWGERDWYPVLAP-SNVBAGLBSA-N 294.403 0.316 0 50 CCAA CCOC[C@@H]1CN(c2nc(O)c3cnn(C)c3n2)CCO1 528186904 LQSAAVJTPLVLTQ-VIFPVBQESA-N 293.327 0.311 0 50 CCAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](OCCO)C1 178658845 UHRITARRSUJHDB-LLVKDONJSA-N 290.323 0.571 0 50 CCAA C[C@H](NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2)[C@@H]1CCCO1 239222100 UJGOJRKBMOWWKF-WGWHJZDNSA-N 281.308 0.324 0 50 CCAA C[C@H](C(=O)NCCc1noc(C2CCC2)n1)N(C)C 426473005 WOCDZGJDPORBGF-SECBINFHSA-N 266.345 0.946 0 50 CCAA CCN(CCn1cccn1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 91651125 INZPHNCBNRWFCU-GFCCVEGCSA-N 290.367 0.743 0 50 CCAA Cc1nnc(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)s1 1232242356 IPUZVCVFNPSNJA-OUAUKWLOSA-N 269.370 0.818 0 50 CCAA CN(C)C[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)CCO1 182024457 SQXYAXQLAPETHM-RDFMZFSFSA-N 291.351 0.589 0 50 CCAA CC(C)Cc1cc(C(=O)NCCn2cnnn2)no1 244673589 HSBJFFWOCJSPSB-UHFFFAOYSA-N 264.289 0.290 0 50 CCAA Cc1nnc(CN(C)Cc2nc3ncccn3n2)o1 252490718 KZNUFQQDWJCEEJ-UHFFFAOYSA-N 259.273 0.448 0 50 CCAA O=C(N[C@@H]1C[C@]2(C(=O)O)C[C@H]12)N1C[C@@H]2C[C@@H](CO)[C@@H]2C1 1875299803 WOJRUURGSUXBQJ-KFBJJMPQSA-N 280.324 0.119 0 50 CCAA CCN1CCC(CNS(=O)(=O)C(C)C)(N(C)C)CC1 823107393 YVSLICVXEGNVJD-UHFFFAOYSA-N 291.461 0.730 0 50 CCAA Cc1c(C)n2c3c(O)nc(=O)n(C)c3nc2n1C[C@@H](C)O 585158445 QKXWXKSVEJYIJL-ZCFIWIBFSA-N 291.311 0.086 0 50 CCAA CN(C[C@@H]1CCC(=O)N1)C(=O)[C@H]1COc2ccccc21 1875271891 WNGQKWHWLQWCFA-JQWIXIFHSA-N 274.320 0.900 0 50 CCAA CN(Cc1nc(O)n[nH]1)C(=O)[C@@H]1C[C@H]1c1ccco1 1875296395 ULOVNQSZCFVPPL-HTQZYQBOSA-N 262.269 0.865 0 50 CCAA Cc1cc(C)n2nc(C(=O)NC[C@H]3COC(=O)O3)nc2n1 1875349936 UHBYXAXKJQPQQC-QMMMGPOBSA-N 291.267 0.006 0 50 CCAA CO[C@@H](CNC(=O)/C=C/CN(C)C)[C@H]1CCOC1 1875377262 WOIZEOXVGFBSDS-XMXMHJJKSA-N 256.346 0.272 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC(F)(F)C[C@]1(C)CO 1875370410 NWTANFCMEAFNOH-LLVKDONJSA-N 276.283 0.249 0 50 CCAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)CCc1ncc[nH]1 886728320 UBOWXTTWVDAZSH-LBPRGKRZSA-N 278.356 0.763 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)C1 245227737 MUDIFKFPMJRUPI-JCIQBVFBSA-N 265.309 0.899 0 50 CCAA C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)O)S(C)(=O)=O 134075751 TVJHXBGMEKNAIE-GXSJLCMTSA-N 299.348 0.232 0 50 CCAA CN(C)CCN(C)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 276116455 XXCDQSSKCMTHGU-QWHCGFSZSA-N 280.372 0.518 0 50 CCAA Cc1cnc(N2CCC(S(N)(=O)=O)CC2)nc1C 408026923 KAKZWKJXRSGNHT-UHFFFAOYSA-N 270.358 0.351 0 50 CCAA O=C(NC1CC1)[C@@H](O)C1CCN(Cc2ccncc2)CC1 548679954 WTNMBDKZHHXOMN-HNNXBMFYSA-N 289.379 0.933 0 50 CCAA CO[C@@H]1CCN(S(=O)(=O)CCn2ccnc2)C[C@H]1C 641521063 FHQHRODENKCINK-VXGBXAGGSA-N 287.385 0.570 0 50 CCAA CC(C)n1cc(C(=O)N[C@H]2CCc3ncnn3C2)cn1 191600736 GCZVSKVLZFQNTA-NSHDSACASA-N 274.328 0.800 0 50 CCAA O=C(N[C@H]1CCC[C@H]1C(=O)O)c1nc2ncccn2n1 571106398 GXQTTXUJESRTGA-SFYZADRCSA-N 275.268 0.107 0 50 CCAA CCN1CCC[C@@H]1CN1CCC(N(C)CCO)CC1 1506405581 CKSXDUAYFNOIKV-OAHLLOKOSA-N 269.433 0.859 0 50 CCAA NS(=O)(=O)[C@@H]1CCN(c2c(F)cncc2Cl)C1 1857530496 AJHBASXUTODGAF-ZCFIWIBFSA-N 279.724 0.741 0 50 CCAA CC=CCOC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1857533310 XKLSXRGLFFULQU-UHFFFAOYSA-N 275.264 0.767 0 50 CCAA Nc1cc(NCCN2CCCC[C@H]2CO)ncn1 1529089801 BDBGMMVUVGUWON-JTQLQIEISA-N 251.334 0.318 0 50 CCAA CCC(CC)CC(=O)N(C)[C@H]1CS(=O)(=O)C[C@@H]1O 216585576 YJJWROIMVAPJME-QWRGUYRKSA-N 277.386 0.429 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS2(=O)=O)C1 110915480 REYRCSJRCYPTTR-JGVFFNPUSA-N 262.331 0.155 0 50 CCAA CCN(C)c1ccnc(N2CCOC[C@H](CN(C)C)C2)n1 1704315253 YURGRSUEURXRKL-CYBMUJFWSA-N 293.415 0.947 0 50 CCAA CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@@H]1C(=O)O 262083900 FQKUTLFEQQSLJY-SNVBAGLBSA-N 291.369 0.523 0 50 CCAA Cc1cc(NC(=O)[C@]2(C(C)C)CNC(=O)C2)nn1C 1614416710 WWKGOGGIVKBTGG-ZDUSSCGKSA-N 264.329 0.829 0 50 CCAA CSCC[C@@H](O)C(=O)NCCc1ccnn1C 215314955 VZVJJGYABGIWKH-SNVBAGLBSA-N 257.359 0.193 0 50 CCAA Cc1ccccc1Cn1cc(C(=O)N2CCNC(=O)C2)nn1 11714390 AQKNWUYPJXUOQE-UHFFFAOYSA-N 299.334 0.207 0 50 CCAA CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](C)C(=O)O 12381023 QJHYCOMQYFAEKW-PRHODGIISA-N 296.298 0.462 0 50 CCAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)NC1CC1 12571552 KGCNCASQONABGF-GFCCVEGCSA-N 267.373 0.502 0 50 CCAA CC(=O)Nc1nc(C)c(S(=O)(=O)N(C)C)s1 16623775 MQTHHTVDDHGLPP-UHFFFAOYSA-N 263.344 0.660 0 50 CCAA O=S(=O)(NCCc1ccncc1)N1CCCCC1 19405104 DHQDUMVZNJGITJ-UHFFFAOYSA-N 269.370 0.944 0 50 CCAA COCCn1cnnc1CCn1cnc2cc[nH]c2c1=O 1857697175 ZIVBRUUULKGASO-UHFFFAOYSA-N 288.311 0.205 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cnc(C2CC2)nc1 643764254 SBHCAGOGLBJACN-HNNXBMFYSA-N 290.367 0.820 0 50 CCAA Cn1cc(N2CCC[C@@H](NCCn3cccn3)C2=O)cn1 119320413 SCHQRFYMTHFMPQ-CYBMUJFWSA-N 288.355 0.402 0 50 CCAA C[C@]1(F)CNCCN(C(=O)c2c[nH]nc2[C@@H]2CCNC2)C1 662566287 CVVQXZHEYKOZEI-YGRLFVJLSA-N 295.362 0.260 0 50 CCAA CCn1nncc1C(=O)NCc1ccc([C@H](C)O)c(C)n1 815901226 IKSBQVDTACOTNG-JTQLQIEISA-N 289.339 0.985 0 50 CCAA CCn1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)n1 1704329056 SVNMSPIGKAUELP-YPMHNXCESA-N 278.356 0.192 0 50 CCAA Cc1noc(-c2ccc(N3CC(=O)N[C@H](C)C3)nc2)n1 829000956 JNPCFVYQTZANNK-MRVPVSSYSA-N 273.296 0.765 0 50 CCAA Cn1cc([C@H]2CN(Cc3csnn3)CCO2)cn1 328682581 VSMIFGNJPBELFE-LLVKDONJSA-N 265.342 0.845 0 50 CCAA Cc1cc(NS(=O)(=O)c2cnnn2C)ccc1C(=O)O 682832830 KZNBQGVJUFIWCM-UHFFFAOYSA-N 296.308 0.623 0 50 CCAA COC(=O)c1cc(=NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)[nH]n1C 2325761953 CIUNJDYUYJUURP-KHQFGBGNSA-N 279.296 0.135 0 50 CCAA Cc1ccc2nc(CNC[C@](C)(O)CC(=O)O)cn2c1 2325789819 POJMXJGJGDKGKD-CQSZACIVSA-N 277.324 0.958 0 50 CCAA CCOC(=O)[C@@H]1CN(C(=O)[C@@H](N)[C@H]2CC=CCC2)CCO1 2325829146 AGHFZOKTMLPKPV-AVGNSLFASA-N 296.367 0.461 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](N)C[C@H]3C2)cc1 148296665 KGDDKJQUWQMILK-CYZMBNFOSA-N 266.366 0.963 0 50 CCAA O=C(OC1Cn2c(=O)ccc(=O)n2C1)c1ccccc1 303174 VMXJSZYHFYZMQF-UHFFFAOYSA-N 272.260 0.249 0 50 CCAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)O)c1 528555 BVQOYZHZQLWPOX-UHFFFAOYSA-N 289.309 0.409 0 50 CCAA O=C(NCc1cccc2ncnn12)[C@H]1CCn2nccc2C1 2356140657 NRWPLPJFVPXVSN-NSHDSACASA-N 296.334 0.805 0 50 CCAA CCS(=O)(=O)N1CCC(C(=O)NC(C)C)CC1 8477067 HHXDFIPXRKCGDH-UHFFFAOYSA-N 262.375 0.573 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(O)nc1C 344800653 FLJBIVMHNBAASQ-WDEREUQCSA-N 280.324 0.972 0 50 CCAA CC(=O)CN1[C@H](C(C)=O)C(=O)c2ccccc2S1(=O)=O 101363598 VRGAFZDTPUAFDA-GFCCVEGCSA-N 295.316 0.420 0 50 CCAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCC(C)C)C1 10302134 AYLZRXOIXAZWIS-NSHDSACASA-N 276.402 0.820 0 50 CCAA CCOc1ncccc1C(=O)N1[C@H]2CC[C@@H]1CC(=O)NC2 65525787 ILUQGHMUZQBZMR-MNOVXSKESA-N 289.335 0.973 0 50 CCAA C[C@H](CN1CCCCC1)NC(=O)Cc1ccn[nH]1 121143722 AKYUIMFIWOOPNP-LLVKDONJSA-N 250.346 0.943 0 50 CCAA Cc1cc(C(=O)NC[C@H]2CCn3ccnc3C2)nn1C 328630655 QCHAKOYJLYQUMC-NSHDSACASA-N 273.340 0.917 0 50 CCAA NCC(=O)NCC(=O)N1CC2(CCCC2)c2ccccc21 124932219 LPRQCSORFIIMOG-UHFFFAOYSA-N 287.363 0.920 0 50 CCAA C[Si](C)(C)c1ccc(CC(=O)NCC(N)=O)cc1 253417659 CHYCYJZNXVSTNX-UHFFFAOYSA-N 264.401 0.376 0 50 CCAA CCN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CCNC1 236949176 PNSREXJNAOVVBV-AWEZNQCLSA-N 289.379 0.761 0 50 CCAA COc1ccccc1[C@@H](O)CNC(=O)C1CCNCC1 154302747 QHZFAQYUZHAZBI-ZDUSSCGKSA-N 278.352 0.844 0 50 CCAA CCN(C)S(=O)(=O)NCc1nc(-c2ccccn2)no1 72710798 KAMMLNCDRDOUFO-UHFFFAOYSA-N 297.340 0.418 0 50 CCAA CN(C)C[C@@]1(O)CCN(C(=O)CCc2csc(N)n2)C1 72165383 NJBRIUXVVGIQMN-ZDUSSCGKSA-N 298.412 0.183 0 50 CCAA CCc1nnc(NC(=O)[C@H]2CCNC(=O)C2)s1 130276265 MSIDINNCHFUIOG-LURJTMIESA-N 254.315 0.565 0 50 CCAA CCCCNc1cc(N2CCS(=O)CC2)nc(N)n1 241132823 JLZLRIVPTPLSQY-UHFFFAOYSA-N 283.401 0.840 0 50 CCAA Cc1nc(C)n(CCCNC(=O)[C@@H](C)n2cccn2)n1 426685286 KPFNKEKLBNUMEG-SNVBAGLBSA-N 276.344 0.859 0 50 CCAA CC(C)N1CCN(C(=O)c2cncc(=O)[nH]2)C[C@@H]1C 426503579 QIHQBSKQOZAYIF-JTQLQIEISA-N 264.329 0.325 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)NC[C@H](O)CO 91325764 BFQHWIPKHOZJKJ-NSHDSACASA-N 269.345 0.185 0 50 CCAA Cn1cc(CCC(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cn1 92003418 JUIIMLZQLAZPDH-OLZOCXBDSA-N 262.357 0.548 0 50 CCAA CC(C)(C(=O)NCCc1cn[nH]c1)N1CCCC1 426574871 XAXLUMAQDPZUFZ-UHFFFAOYSA-N 250.346 0.943 0 50 CCAA CCn1nncc1C(=O)N[C@@H](C)C1CCOCC1 293671018 JONOIRMPBOQGKM-VIFPVBQESA-N 252.318 0.843 0 50 CCAA CN1CCCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 426382807 RXTCLWWPUFRAFK-NSHDSACASA-N 277.372 0.705 0 50 CCAA CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1 335077711 USRLWHZAVOUXFH-UHFFFAOYSA-N 268.338 0.887 0 50 CCAA Cc1cc(C)n(CC2(CNC(=O)c3c[nH]nn3)CC2)n1 96150522 IMTHYDXOOYNZRU-UHFFFAOYSA-N 274.328 0.828 0 50 CCAA CC(=O)NCC(=O)NC[C@H]1CCN(C2CCCCC2)C1 534642244 ZUQWTRIUNLGKJE-CYBMUJFWSA-N 281.400 0.893 0 50 CCAA CCc1nnc(CNC(=O)c2cnn3ccn(C)c23)o1 534645978 ODTQHONJUPTGMK-UHFFFAOYSA-N 274.284 0.548 0 50 CCAA C[C@@H](CC(=O)NC1(C(=O)O)CCOCC1)n1cccn1 534659043 AHEKCGPHYUJUAP-JTQLQIEISA-N 281.312 0.584 0 50 CCAA C[C@H](CCNC(=O)c1cncnc1)N1CCN(C)CC1 534636587 LIMGNYCBCSQVKP-GFCCVEGCSA-N 277.372 0.232 0 50 CCAA CC(C)c1noc([C@@H](C)NC(=O)CCCn2cnnn2)n1 299756536 GMIHVXHEPWYWTJ-SECBINFHSA-N 293.331 0.837 0 50 CCAA COc1cc(OC)nc(N2CCC3(CC2)CNC(=O)O3)n1 804633038 JCFRWUKFVLGWCZ-UHFFFAOYSA-N 294.311 0.573 0 50 CCAA O=C(NCCCN1CCCC[C@@H]1CO)c1ncc[nH]1 828710755 AXIXVFDCYDAMHC-LLVKDONJSA-N 266.345 0.376 0 50 CCAA CCc1noc(CCNC(=O)c2cc(=O)cc(C)o2)n1 584894097 ILJJKTMHVACKLN-UHFFFAOYSA-N 277.280 0.866 0 50 CCAA Cc1cccc2nc(CN(C)C(=O)CCn3cnnn3)[nH]c12 584888104 NFZKJFOZKVHMGZ-UHFFFAOYSA-N 299.338 0.907 0 50 CCAA COC(=O)C[C@@H](O)CNC(=O)/C=C/c1ccccc1 863018023 PCBWQAPJEJRATM-ABZNLYFFSA-N 263.293 0.740 0 50 CCAA CC(C)[C@@H]1C=CCN1C(=O)NCc1nc(C(N)=O)no1 584891679 NPUFSZUWCRKGHG-QMMMGPOBSA-N 279.300 0.275 0 50 CCAA COc1ccc2ncn(C[C@@](C)(O)CCCO)c(=O)c2c1 584888961 ZWCCOTSHNTVUNX-HNNXBMFYSA-N 292.335 0.929 0 50 CCAA C[C@@H]1CN(C(=O)COc2ccccc2O)CCS1(=O)=O 269617269 SUSCWYNFZXSKLI-SNVBAGLBSA-N 299.348 0.417 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)NCc1cc(C(F)(F)F)no1 1875401067 DTRSFAFBDXMSPM-HTRCEHHLSA-N 293.245 0.280 0 50 CCAA O=C1NC(=O)[C@H](CCN2CCc3ccccc3CC2)N1 1875308192 UGYDNBQOADEYLI-ZDUSSCGKSA-N 273.336 0.685 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)c2cnc[nH]2)[C@H](C)C1 1875252200 RGVRLJCEAFTXTF-SCZZXKLOSA-N 250.302 0.396 0 50 CCAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)CCn1cnnc1 952972220 ZMKXVSXWNYJOGC-GFCCVEGCSA-N 293.371 0.528 0 50 CCAA CN1C[C@@H]2[C@H](CCN2C(=O)NCc2ccccn2)C1 891427484 SWGOHNVNQCJHKF-DGCLKSJQSA-N 260.341 0.927 0 50 CCAA Cc1ccc(C(=O)N[C@](C)(Cn2cccn2)C(N)=O)cc1 889647165 WEOWXXGLXDYVRA-OAHLLOKOSA-N 286.335 0.866 0 50 CCAA Cn1nc(C(=O)N[C@@]23CCC[C@@H]2NCC3)cc1O 1342438267 VZWHYMZHVRZWTG-JOYOIKCWSA-N 250.302 0.140 0 50 CCAA CCc1ccnc(C(=O)N2CC[C@H](Cc3nn[nH]n3)C2)c1 1775987837 XKOFRXGVCQVCPG-LLVKDONJSA-N 286.339 0.862 0 50 CCAA CC(C)(C)OC(=O)N1CC2(CC(=O)N[C@H]2C(=O)O)C1 91303605 GACUCUWAYVAYIW-QMMMGPOBSA-N 270.285 0.197 0 50 CCAA in-vitro C[C@@H](C[S@@](C)=O)NCc1cnc(N(C)C)n1C 168787361 JOGFADDMOWEJRF-XYZCENFISA-N 258.391 0.343 0 50 CCAA O=C(NCC1=CCNCC1)[C@H]1COc2ccccc2O1 169287957 BZTYSKMDFAIQJA-CQSZACIVSA-N 274.320 0.862 0 50 CCAA CO[C@@H]1C[C@@H](N[C@@H]2CCCS(=O)(=O)C2)C1(C)C 223810254 PUSVLQCDAVTFAM-GMTAPVOTSA-N 261.387 0.967 0 50 CCAA COc1ccc(CN2CCO[C@@H](Cn3ccnn3)C2)cn1 639861217 PUAUWGGBEDEBSZ-CYBMUJFWSA-N 289.339 0.583 0 50 CCAA C[C@@H]1CCN(C(=O)NCCN2CCOCC2(C)C)[C@@H]1CO 190506828 IQHHMQXKGQQRIP-CHWSQXEVSA-N 299.415 0.510 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)NCC(F)(F)F 644291710 RUAHXBQEXCMQAI-ZETCQYMHSA-N 268.235 0.038 0 50 CCAA N=c1nc(N2CCO[C@@H](CF)C2)c2c([nH]1)CCCC2 645256035 DTRQYJPNGXFBTQ-VIFPVBQESA-N 266.320 0.943 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)N[C@@H]2CO)C1 110915079 DMNLMJMGLDXXBB-NOZJJQNGSA-N 270.329 0.494 0 50 CCAA in-vitro CO[C@@H](CC(C)C)C(=O)N1CCN2C(=O)NC[C@H]2C1 416170777 MBJBDBRYVHXPNX-QWRGUYRKSA-N 269.345 0.284 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CC[C@@H]1C(=O)O 526944196 COXMVTWJYMKWBY-VWYCJHECSA-N 290.385 0.758 0 50 CCAA CN1C[C@H](N(C)c2ccc(S(C)(=O)=O)cn2)CCC1=O 1548444068 VVOFWURYRDNYGO-SNVBAGLBSA-N 297.380 0.542 0 50 CCAA OC[C@H]1CCN(Cc2cc(-c3cccnc3)no2)C[C@@H]1O 1875245360 WMBCDUBEQHVCGS-DOMZBBRYSA-N 289.335 0.912 0 50 CCAA COc1cncc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 625221399 OMCARSOFPUXOQI-OCCSQVGLSA-N 292.383 0.638 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(C)n1C 644060092 LIUNKHBVLGOMTN-OAHLLOKOSA-N 293.367 0.701 0 50 CCAA C[C@](O)(CNC(=O)c1cnc2ccsc2c1)C(=O)O 545310132 RYURNKHPPLVANJ-LBPRGKRZSA-N 280.305 0.862 0 50 CCAA C[C@@]1(F)CNCCN(C(=O)c2c[nH]nc2[C@H]2CCNC2)C1 662566285 CVVQXZHEYKOZEI-IINYFYTJSA-N 295.362 0.260 0 50 CCAA O=C(Cc1nc2ccccc2[nH]1)N1C[C@H]2CCN[C@H]2C1 247871651 QXDNKELCNIBJCX-MFKMUULPSA-N 270.336 0.926 0 50 CCAA COc1ccc(CC(=O)N2CCO[C@H]3CNC[C@H]32)cc1F 366975405 LARJBEMBLVWQDK-OCCSQVGLSA-N 294.326 0.576 0 50 CCAA OCCOc1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1 1138791980 BSKVMSICEDVPCU-UKRRQHHQSA-N 281.352 0.233 0 50 CCAA CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)O)CCN1 1857778241 RCTFOATVBWSHCO-IUCAKERBSA-N 258.318 0.964 0 50 CCAA COC[C@@H](O)CN(C)C[C@@H](O)c1ccc(F)cc1 229814090 FWXKOSUEYPFCKF-QWHCGFSZSA-N 257.305 0.798 0 50 CCAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1ccncc1 864146430 XUPUKRZJARPIMM-LBPRGKRZSA-N 278.308 0.939 0 50 CCAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)O)cc1 470449 AAXCSQBNWZMLNK-UHFFFAOYSA-N 273.310 0.837 0 50 CCAA Cn1ccc(CNC(=O)N2CCCC[C@@H]2CCO)n1 343712664 BOPSOMPLSQZSRI-GFCCVEGCSA-N 266.345 0.867 0 50 CCAA C[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCCN1C)N1CCOCC1 248137183 PDTVFOFNSOUGCV-RBSFLKMASA-N 295.427 0.792 0 50 CCAA C[C@H]1CN(C(=O)[C@@H](C)N[C@H](C)Cn2cccn2)C[C@H](C)O1 248259100 PVSLXIVFSAGTSL-ZOBORPQBSA-N 294.399 0.886 0 50 CCAA CCN1CCC[C@@H](NC(=O)c2csc(N)n2)C1 55188416 AGRYSYOFBLDPLO-MRVPVSSYSA-N 254.359 0.939 0 50 CCAA CS(=O)(=O)[C@@H]1CCC[C@H]1NCCCn1cccn1 135727010 QWKWVGCYPFPUQS-VXGBXAGGSA-N 271.386 0.829 0 50 CCAA O=c1[nH]nc(Cn2cccn2)n1-c1ccc2c(c1)OCO2 65374187 PVOLWVKXAMVVNL-UHFFFAOYSA-N 285.263 0.534 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2c(C)cc(C)nc2O)N(C)C1 330543313 TWZKZIXSDAYCTN-AAEUAGOBSA-N 293.367 0.739 0 50 CCAA C=CCCC(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C 67885212 WRACOLRHCDNKBI-QWRGUYRKSA-N 253.346 0.405 0 50 CCAA C[C@@H]1CN(Cc2cccc(OCC(N)=O)c2)CCN1C 67757255 FQKZTEWERRIEEB-GFCCVEGCSA-N 277.368 0.687 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)NCc1nc(N(C)C)no1 330770428 BHDGJXHVFFOXIK-BDAKNGLRSA-N 268.317 0.567 0 50 CCAA O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 35605673 FIDOKJCISOZSBN-QMMMGPOBSA-N 273.285 0.921 0 50 CCAA NC(=O)c1nnn(Cc2ccc(Cl)cc2)c1N 159121 LZYOKUBZSKOHLP-UHFFFAOYSA-N 251.677 0.661 0 50 CCAA CC(=O)N[C@H]1CCCN(Cc2cnn(C)c2C)C1 121458365 ONQHMXWGRPZEAQ-ZDUSSCGKSA-N 250.346 0.829 0 50 CCAA Nc1ncccc1CN1C[C@@H]2CCC[C@H](C1)C(=O)N2 215180463 GKVZTWDTABGAKU-NEPJUHHUSA-N 260.341 0.764 0 50 CCAA CCCN(CC(=O)O)S(=O)(=O)Cc1ccon1 262456129 RRAXQFCESKJYBD-UHFFFAOYSA-N 262.287 0.301 0 50 CCAA CCCCc1nn(CC(N)=O)c(=O)n1-c1ccccc1 77521580 ZUVOUJNEMIYQQA-UHFFFAOYSA-N 274.324 0.862 0 50 CCAA CNc1nc(C(=O)N2CCC[C@](O)(CO)C2)cs1 72151806 AOLGERPEWOYDRH-LLVKDONJSA-N 271.342 0.144 0 50 CCAA COc1cccc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)c1 284515425 FRBPZKDHIKYGPI-RYUDHWBXSA-N 278.308 0.410 0 50 CCAA COC[C@@H]1CN(C(=O)Cc2ccn[nH]2)CC(C)(C)O1 285655861 XZSFLTKMWJZDDJ-NSHDSACASA-N 267.329 0.605 0 50 CCAA Nc1nc(CCNC(=O)[C@H]2Cc3ccccc3O2)n[nH]1 220130301 QBGXFFZCDCTIOX-SNVBAGLBSA-N 273.296 0.049 0 50 CCAA COCC[C@@H]1COCCN1C(=O)[C@H]1CCCc2nn[nH]c21 615113498 SMNBHKSZDOJUIJ-MNOVXSKESA-N 294.355 0.489 0 50 CCAA O=C(CSc1ccccn1)NCCCn1cncn1 223765304 RGESYGMJJBUYFY-UHFFFAOYSA-N 277.353 0.972 0 50 CCAA CCn1ncc(CN(C)C(=O)Cn2nc(C)cc2N)c1C 426510154 ONVRWDUWESOPQK-UHFFFAOYSA-N 290.371 0.957 0 50 CCAA Cc1cc(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3)on1 221223874 SOXZXAURNASTFN-ZJUUUORDSA-N 263.297 0.263 0 50 CCAA Cc1nonc1OCCNC(=O)CCn1ccnc1C 222678777 JTEVFOUIWPJGEN-UHFFFAOYSA-N 279.300 0.468 0 50 CCAA CN(C[C@@H](O)CO)C(=O)Nc1ccc2[nH]ccc2c1 95509600 KNLBMGDARMIIBE-LLVKDONJSA-N 263.297 0.985 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)[C@@H](O)CCS2(=O)=O 95627036 OJYOLQAIQYHQOC-QMMMGPOBSA-N 277.342 0.155 0 50 CCAA COc1cccc2c1OC[C@@H](CNC(=O)CNC(N)=O)C2 95357603 ZTDNSPPNVNQBEC-SECBINFHSA-N 293.323 0.031 0 50 CCAA COCc1cc(NCCNC(=O)c2cccnc2)ncn1 95354630 JRAZCRMWAWVIFA-UHFFFAOYSA-N 287.323 0.860 0 50 CCAA CN[C@@H](CC(C)C)C(=O)NCCc1ncnn1C 244690934 IZRFNOJXEBWYAB-JTQLQIEISA-N 253.350 0.108 0 50 CCAA O=c1[nH]ccn1CCN1CCC(N2CCCC2)CC1 252481529 CNOBZCHMUQFDGY-UHFFFAOYSA-N 264.373 0.737 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cnc[nH]1 252505428 VRLNZLRURRZNEC-QWRGUYRKSA-N 252.318 0.247 0 50 CCAA CCCn1ncnc1[C@@H](C)NS(=O)(=O)N(C)C 534637800 LGNXCTHSJHPDGT-MRVPVSSYSA-N 261.351 0.145 0 50 CCAA NC(=O)c1ncn(-c2ccc(OC(F)F)cc2)n1 261490572 JZXALYNENWOFPE-UHFFFAOYSA-N 254.196 0.968 0 50 CCAA Cn1cc(NC(=O)N[C@H](c2nccn2C)C2CC2)nn1 299769002 KZTSPJYTDSRHQX-JTQLQIEISA-N 275.316 0.821 0 50 CCAA O=c1[nH]nc(CCNc2cc([C@H]3CCOC3)ncn2)[nH]1 299769436 PMDPJPRQPMMRLD-QMMMGPOBSA-N 276.300 0.047 0 50 CCAA COCCN1CC[C@@H](CNC(=O)C2(N)CCCC2)C1 824412362 IIWXWNGRABNUFA-LBPRGKRZSA-N 269.389 0.342 0 50 CCAA CCc1noc(CNC(=O)[C@H]2CSC(C)(C)C(=O)N2)n1 584895550 IPBVLWUVSDDKFE-SSDOTTSWSA-N 298.368 0.258 0 50 CCAA O=C(NCCn1cncn1)C1(N2CCCC2)CCCC1 827661327 QGJMGMKLODLKNP-UHFFFAOYSA-N 277.372 0.803 0 50 CCAA O=C1CCc2c1cccc2C(=O)N[C@H]1CCS(=O)(=O)C1 584894533 CXWXWUMPHGNWLY-VIFPVBQESA-N 293.344 0.732 0 50 CCAA CC1(C)CNC(=O)[C@H]1NCCCNC(=O)c1cccs1 863982380 HARMQYUDPJQENE-LLVKDONJSA-N 295.408 0.982 0 50 CCAA CC[C@@H]1CCN(C(=N)NCCc2cn(C)nn2)C1 1875269003 MSCDEZSQEPYTFK-SNVBAGLBSA-N 250.350 0.614 0 50 CCAA CC[C@H](C(=O)NC1(C(=O)O)CCOCC1)N(C)CC 952972654 PNTXSRRZBSLHFK-SNVBAGLBSA-N 272.345 0.467 0 50 CCAA Cc1ncc(CN2CC[C@H](CN(C)C)[C@@H](O)C2)cn1 1565506632 MUSHZBKXDNVIEB-KGLIPLIRSA-N 264.373 0.529 0 50 CCAA C[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1nn(C)cc1O 1472237485 SKSZRPWJWPHCRC-MRVPVSSYSA-N 276.296 0.315 0 50 CCAA CS(=O)(=O)NC(=O)c1csc([C@@H]2CCCO2)n1 165207267 WXWJHQDNFISOGP-ZETCQYMHSA-N 276.339 0.684 0 50 CCAA COC[C@H](C)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 275655380 UQXDITRTTMZQQA-NWDGAFQWSA-N 280.372 0.374 0 50 CCAA C[C@H]1CN(C(=O)Cc2cnn3c2CCCC3)C[C@H](C)N1 637839129 GYMOBEAXFQKREC-RYUDHWBXSA-N 276.384 0.971 0 50 CCAA CN1CC[C@H](NCC2(C(N)=O)CCOCC2)[C@@H]2CCC[C@@H]21 584069075 NPCRPFAEQIRGRT-IHRRRGAJSA-N 295.427 0.731 0 50 CCAA CC1(C)NC(=O)CC[C@@H]1NC(=O)CCc1ncccn1 643243659 ARAXTTCHMMEQJW-JTQLQIEISA-N 276.340 0.583 0 50 CCAA CON(C)C(=O)CSc1nc2cncnc2[nH]1 775226235 NKOKYDFAPVSKPT-UHFFFAOYSA-N 253.287 0.465 0 50 CCAA CCN1CCC[C@@]2(CCCN(C(=O)NCC(=O)O)C2)C1 1506417978 MRZIBCUZCLPJKU-CQSZACIVSA-N 283.372 0.979 0 50 CCAA CC[C@@H](C(=O)Nc1cnn2c1NCCC2)N1CCOCC1 1506400555 NUTDOSBRDKEIHD-LBPRGKRZSA-N 293.371 0.748 0 50 CCAA COc1cc(/C=C/C(=O)O)ccc1OCC(N)=O 266023 ZDPCLIUSUWFDLB-HWKANZROSA-N 251.238 0.657 0 50 CCAA biogenic CO[C@H](CC(C)C)C(=O)N1CCN2C(=O)NC[C@H]2C1 416170778 MBJBDBRYVHXPNX-WDEREUQCSA-N 269.345 0.284 0 50 CCAA NC[C@H]1CCCCN1C(=O)COCC(F)(F)F 226232757 GXFIQCVEVMGJGN-MRVPVSSYSA-N 254.252 0.905 0 50 CCAA COCC(=O)N1CCN[C@H](c2cccc(F)c2)C1 335313521 ZRSSUVVGQGETHK-LBPRGKRZSA-N 252.289 0.945 0 50 CCAA CCC[C@]1(C)C(=O)NCCN1C[C@@H](O)C(F)(F)F 248994120 JLOIRVFESMEYIC-PSASIEDQSA-N 268.279 0.900 0 50 CCAA CN(C)[C@H]1CN(C(=O)c2cc3c(cn2)OCCC3)C[C@@H]1O 1615056735 YDYLSYPKODXEIN-STQMWFEESA-N 291.351 0.154 0 50 CCAA O=C1CO[C@]2(CCN(c3ncccc3F)C2)CN1 1772810264 FKGBHABALJKTCJ-GFCCVEGCSA-N 251.261 0.316 0 50 CCAA CNC(=O)c1ccc(N2C[C@@H]3CCCN3C(=O)[C@H]2C)nn1 1772711241 GLSMKFXNTGBMEP-ZJUUUORDSA-N 289.339 0.036 0 50 CCAA Nc1nc(CCC(=O)N2CCC([C@H](O)CO)CC2)cs1 1772711738 JTYAUIQNYSTMAI-LLVKDONJSA-N 299.396 0.250 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CCOC[C@@H](C(=O)O)C2)o1 1775977705 KKXMLQKXJGABSZ-VIFPVBQESA-N 281.264 0.121 0 50 CCAA COCCn1nc2c(c1C(N)=O)C[C@@H](C)O[C@H]2C 1857528233 BFZYVEFUORRBDJ-SFYZADRCSA-N 253.302 0.651 0 50 CCAA CS(=O)(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 12455740 CETAPQZJMGDADX-LLVKDONJSA-N 274.386 0.717 0 50 CCAA Cn1nc(C(=O)N2CCc3c(O)ncnc3C2)nc1Cl 1857674727 VVKGHDPNNKGITR-UHFFFAOYSA-N 294.702 0.163 0 50 CCAA CN1CCCN(C(=O)[C@@]2(C)CC23CCNCC3)CC1 1857689912 OLSYYSQFNRIICJ-CQSZACIVSA-N 265.401 0.930 0 50 CCAA Cc1noc(C)c1CNC(=O)[C@H]1C[C@@H](N)[C@H](O)C1 1857725774 MGZHKYFQVBKXNI-JMJZKYOTSA-N 253.302 0.006 0 50 CCAA COCC(=O)N1CC[C@@H](Nc2ccc3nc(C)cn3n2)C1 328592285 ISUZCTPUVUKGJL-LLVKDONJSA-N 289.339 0.697 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2cccc(C)n2)C1 643814904 BGRPJVZDBFEBFI-OAHLLOKOSA-N 277.368 0.853 0 50 CCAA CO[C@@H](C(=O)N1C[C@H](CO)OC[C@H]1C)c1ccccc1 129314870 KDWNSWSICCVKTP-MRVWCRGKSA-N 279.336 0.982 0 50 CCAA NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1Cn1cncn1 247745445 PGLGZOSQEXIWFG-KBPBESRZSA-N 285.351 0.969 0 50 CCAA CC(C)c1cc(C(=O)N[C@H](C)c2nnnn2C)n[nH]1 252500246 SQBRXXQKVPNENR-SSDOTTSWSA-N 263.305 0.548 0 50 CCAA COC1CC(C(=O)O)(N(C)C(=O)c2cccnc2)C1 1875275170 MZWLWIJNMYSLCC-UHFFFAOYSA-N 264.281 0.786 0 50 CCAA O=C1C[C@H](NC(=O)Cc2cccc(Cl)c2)C(=O)N1 1875277482 NNYXGADIVFCODI-VIFPVBQESA-N 266.684 0.414 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)C[C@H]1CCCOC1 900624701 REYLQOMWELVTTM-GFCCVEGCSA-N 268.357 0.906 0 50 CCAA Cn1nc(C(=O)O)cc1C(=O)NCCc1cscn1 901824104 VLISETRPTGRQSZ-UHFFFAOYSA-N 280.309 0.547 0 50 CCAA C[C@@]1(C(=O)N2CC(O)(CO)C2)CCOc2ccccc21 820854676 AERIITXPYOBBPE-CQSZACIVSA-N 277.320 0.292 0 50 CCAA O=C(O)CCS(=O)(=O)c1ccc2c(c1)OCC(=O)N2 1857533527 ZXKABUWEJGIANS-UHFFFAOYSA-N 285.277 0.266 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)[C@@H](C)n1cncn1 20540763 SIWQHDSIGLGIRI-SNVBAGLBSA-N 262.317 0.538 0 50 CCAA Cc1ncc(S(=O)(=O)NC[C@@]2(O)CCO[C@H]2C)s1 228077612 IZLIJBOHQITSHB-XVKPBYJWSA-N 292.382 0.270 0 50 CCAA CCn1nc(C)cc1C(=O)N1CCOC[C@@H]1CC(=O)O 129450785 MJCJZZWQKQGCGT-JTQLQIEISA-N 281.312 0.527 0 50 CCAA C[C@@H](C(=O)Nc1ccc2c(c1)CNCCO2)S(C)(=O)=O 261734594 LMPAXGYNMABEEP-VIFPVBQESA-N 298.364 0.540 0 50 CCAA Cc1cc(C(=O)NC[C@](C)(O)C(F)(F)F)nn1C 330510469 JPNJXJZFMSAJMW-VIFPVBQESA-N 265.235 0.772 0 50 CCAA CSCC[C@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)O 426487893 GUSWFHUBEWIOPG-VIFPVBQESA-N 284.337 0.321 0 50 CCAA CC(=O)N1CCN(C(=O)[C@H]2CCCNCC2)CC1 534661622 ICHRPPGJSGGPAG-LBPRGKRZSA-N 253.346 0.067 0 50 CCAA Cn1ncc2c(N3CCC[C@@H]4NCC[C@@H]43)ncnc21 864598740 AWHRQFBDPDQLGK-QWRGUYRKSA-N 258.329 0.694 0 50 CCAA COC(=O)CN1C(=O)CN(c2nc(C)cc(C)n2)C1=O 2403796 KPEUTHKDQVYFII-UHFFFAOYSA-N 278.268 0.035 0 50 CCAA C[C@H]1CN(C(=O)c2cccc(=O)n2C)Cc2cncnc21 1455133130 AFLAHYADEYLAIV-JTQLQIEISA-N 284.319 0.935 0 50 CCAA O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 82367 GHDGMVQYDHCGOI-LLVKDONJSA-N 284.262 0.740 0 50 CCAA Cn1c(Cc2nc(-c3cnccn3)no2)n[nH]c1=S 161550 FLBYNUINSCARIO-UHFFFAOYSA-N 275.297 0.908 0 50 CCAA Cc1nc(N2C[C@H](CO)OC[C@@H]2C)ncc1C(=O)O 134371411 SBSQCEKGHYBPDQ-IONNQARKSA-N 267.285 0.069 0 50 CCAA CC1=NNC(=O)[C@H]1CNC(=O)Cc1cn(C)c2ccccc12 101917678 ASYHCLKUURXTST-ZDUSSCGKSA-N 298.346 0.959 0 50 CCAA COCC1(N(C)C(=O)/C=C/c2cnc(N)nc2)CC1 1506403737 NPZMBRIEECELSD-ONEGZZNKSA-N 262.313 0.709 0 50 CCAA Cn1nccc1C(=O)NCCNC(=O)c1ccc(F)cc1 123010185 FGJPGXYGUJBGQT-UHFFFAOYSA-N 290.298 0.719 0 50 CCAA CN(CC1CC1)C[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1 328643490 RHTJRENCOBQUBI-UONOGXRCSA-N 282.384 0.592 0 50 CCAA O=C(NC[C@H]1CN(c2nncs2)CCO1)c1ccoc1 253431410 PZWKTWYRLLSQQJ-JTQLQIEISA-N 294.336 0.766 0 50 CCAA Cc1cc(N2CC[C@H](NC(=O)c3ccc[nH]3)C2=O)n(C)n1 173011346 FGLWFVIVWPEIJE-NSHDSACASA-N 287.323 0.592 0 50 CCAA CN(C)CCNC(=O)C[C@H](O)C(Cl)(Cl)Cl 71771549 RORCYAUIGXZANC-LURJTMIESA-N 277.579 0.785 0 50 CCAA Cc1nn(C)c(Cl)c1C(=O)N1CC[C@@H](C(=O)O)C1 237730553 YCDKLJOSQMLZLX-SSDOTTSWSA-N 271.704 0.929 0 50 CCAA O=C(CN1CCC[C@@](O)(CO)C1)N1CCc2ccccc21 72165098 IVWKIVUJTWFLCE-INIZCTEOSA-N 290.363 0.395 0 50 CCAA CN(Cc1cccc(OCC(N)=O)c1)C[C@@H]1COCCO1 216257497 NXYMOQCWFGEYEE-CQSZACIVSA-N 294.351 0.398 0 50 CCAA Cc1nc[nH]c1CSCCNC(=O)[C@H]1CNCCO1 72153424 VOJCGOICAGATNY-LLVKDONJSA-N 284.385 0.056 0 50 CCAA O=C(CC(=O)N1CC[C@@](O)(C2CC2)C1)NCC(F)(F)F 373353400 HJLMWLFJMGWCSQ-NSHDSACASA-N 294.273 0.428 0 50 CCAA CCN1Cc2nc(OC)c(CN[C@@H]3CCOC3)cc2C1=O 71757154 RFRPINWDSJSDID-LLVKDONJSA-N 291.351 0.944 0 50 CCAA CCCn1ccnc1CN1CC[C@@H](C(=O)NC)C1 215509002 IDOOREAKBAJJQU-LLVKDONJSA-N 250.346 0.861 0 50 CCAA CCCc1nc(N(C)C[C@@H](O)COC)c2cnn(C)c2n1 72163956 GCSNUMQTBCQWAU-SNVBAGLBSA-N 293.371 0.759 0 50 CCAA C[C@H](O)CN(CC(=O)N[C@@H](C)c1ccco1)[C@H](C)CO 240333512 FDUULUGABCXUBQ-WOPDTQHZSA-N 284.356 0.520 0 50 CCAA CN(C)CCN(C)C(=O)[C@@H]1CCO[C@H]1c1nccn1C 284480540 AYQXJDMJKFUIJO-VXGBXAGGSA-N 280.372 0.518 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)Cc2ccc(F)cc2F)C1 284627693 PURUXJYZADSFGV-JQWIXIFHSA-N 298.289 0.609 0 50 CCAA O=C(O)CCCCc1cn(CCN2CCOCC2)nn1 228369550 IFEYFEKFJHDIBC-UHFFFAOYSA-N 282.344 0.408 0 50 CCAA O=C(O)CNC(=O)N1CCCC[C@H]1CCn1cccn1 426490756 TYAYKGDTEZFLSS-NSHDSACASA-N 280.328 0.922 0 50 CCAA Cc1cc(C(=O)N2CC[C@H](C(=O)O)C2)c2cnn(C)c2n1 178265817 OYXHVQHALZOYKF-VIFPVBQESA-N 288.307 0.823 0 50 CCAA CCN1C[C@H](C(=O)NCc2cc(C)nn2C)CC1=O 95390932 MYMZJSNFJXSZSU-SNVBAGLBSA-N 264.329 0.213 0 50 CCAA O=C(O)[C@@H]1CN(S(=O)(=O)c2cn[nH]c2)C[C@H]1C1CC1 91289543 RDVUNHQGILEHRU-VHSXEESVSA-N 285.325 0.141 0 50 CCAA COCc1noc(Cn2cccc(OC)c2=O)n1 95518618 IXJNKWKIZYPMFK-UHFFFAOYSA-N 251.242 0.435 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cnn(C)c1C 426705822 PHHBQQAAFAPAAX-GHMZBOCLSA-N 253.302 0.262 0 50 CCAA COc1c[nH]c(C(=O)NCc2cc(C)nn2C)cc1=O 97785554 ZNFJEAHPESXJHP-UHFFFAOYSA-N 276.296 0.355 0 50 CCAA CC(=O)N1CCN(Cc2ccc(N(C)C)nc2)C[C@H](O)C1 97099083 NQIQIFVERWCYJF-AWEZNQCLSA-N 292.383 0.173 0 50 CCAA CC(C)=CC[C@@]1(CO)CCCN(C(CO)CO)C1 91754990 OSAOCGCEMCVXIU-AWEZNQCLSA-N 257.374 0.770 0 50 CCAA CCc1nc(CN2Cc3[nH]cnc3C[C@H]2C(=O)O)no1 534588260 HFVCTFOAAIAARO-VIFPVBQESA-N 277.284 0.367 0 50 CCAA Cc1ccc(O)cc1C(=O)NCCc1nnc(O)n1C 584899860 PUYAVARZYRQVIM-UHFFFAOYSA-N 276.296 0.507 0 50 CCAA Cc1cc(C)n(CCN(C)C(=O)CCCn2cnnn2)n1 584897763 ZLZNWOJFSIBMPZ-UHFFFAOYSA-N 291.359 0.425 0 50 CCAA Cn1ncnc1CCNC(=O)CCc1ccncc1 670445256 CGRZIHINDXHKTC-UHFFFAOYSA-N 259.313 0.502 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCCc1nc(C2CC2)no1 670437771 XYWPRRVDODJLCB-ZETCQYMHSA-N 282.300 0.350 0 50 CCAA CCOC(C)(C)C(=O)N1CC[C@@H](CC(=O)NC)C1 670454093 UTEBJAOGFMIAOR-JTQLQIEISA-N 256.346 0.786 0 50 CCAA CCOc1ccnc(N2CCOC[C@@H](CN(C)C)C2)n1 670447780 KGUZTWNKFUBADH-LBPRGKRZSA-N 280.372 0.890 0 50 CCAA NC[C@H]1CCCc2ccc(C(=O)N[C@@H]3CNC[C@@H]3O)cc21 1548573667 SLECFQQYYVTXEA-YUELXQCFSA-N 289.379 0.128 0 50 CCAA COC(=O)/C=C/CNC(=O)c1nc[nH]c1C(F)(F)F 1875273026 WNIKEZNGWSHHTG-NSCUHMNNSA-N 277.202 0.888 0 50 CCAA O=C1NN(C2CCCCCC2)C(=O)[C@@H]2OCC[C@@H]12 1875269627 JSQMIBHWHJVRSY-GHMZBOCLSA-N 252.314 0.988 0 50 CCAA C[C@@H]1C[C@@H](C)[C@H](C(=O)N(C)Cc2cnn3c2CNCC3)O1 952890469 UZMGJDGNOFOHHC-JTNHKYCSSA-N 292.383 0.758 0 50 CCAA CN1OC[C@@H](NC(=O)C2SCCCS2)C1=O 1875325219 JPPAIYRIUOHTOU-ZCFIWIBFSA-N 262.356 0.071 0 50 CCAA CC(C)[C@H](N)C(=O)NC[C@@]1(C)CN(C(C)C)C1=O 1875369041 NWOLSCMFTAHNJX-GWCFXTLKSA-N 255.362 0.343 0 50 CCAA CN1C(=O)CC[C@@H]1C(=O)NC1(c2ccccc2F)COC1 886642244 GWFQCANONZVYIN-GFCCVEGCSA-N 292.310 0.788 0 50 CCAA Cc1ncc(C(=O)N[C@H](CO)[C@@H](C)O)c(C2CC2)n1 1335289371 WDYPXSPODSRBQN-RDDDGLTNSA-N 265.313 0.134 0 50 CCAA C[C@H](NC(=O)c1cn(C)ccc1=O)c1nnc2n1CCC2 1411659919 DRRCKOQVBJAJON-VIFPVBQESA-N 287.323 0.414 0 50 CCAA O=C(Nc1ccnc(Cn2cccn2)c1)N1CC[C@H]1CO 1776000126 SWDFTXNKKXBQKK-ZDUSSCGKSA-N 287.323 0.925 0 50 CCAA O=c1c2c(F)ccc(O)c2cnn1CCN1CCOCC1 1774748215 NXKOOBQRRCQGTR-UHFFFAOYSA-N 293.298 0.573 0 50 CCAA COC[C@@H]1[C@H](NC(=O)Cn2ccnc2)[C@H]2CCO[C@@H]12 1565526273 ROQMJRIUAQMSCK-FPQZTECRSA-N 265.313 0.049 0 50 CCAA OC1(CNCc2cn(C[C@H]3CCOC3)nn2)CCCC1 631068810 WNGNRIQUTAVABZ-GFCCVEGCSA-N 280.372 0.709 0 50 CCAA C[C@H]1C(=O)NCCN1S(=O)(=O)CCc1cccs1 170091096 JLJSNEMXTPJYFP-VIFPVBQESA-N 288.394 0.441 0 50 CCAA Cn1[nH]c([C@@H]2CCCN2C[C@H](O)C(F)(F)F)nc1=N 408007102 BNZZHNBHHDOBIK-BQBZGAKWSA-N 279.266 0.288 0 50 CCAA CC(=O)N[C@@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1 222039964 QLCUVAGQDXXBEF-ZIAGYGMSSA-N 275.352 0.814 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CSCCS1 170625902 ANSSWIDGNQPJAN-IUCAKERBSA-N 297.467 0.727 0 50 CCAA Nc1ncnc(NC[C@@H](CO)[C@@H]2CCOC2)c1Cl 281132765 YYSQPPWHENDMOH-SFYZADRCSA-N 272.736 0.769 0 50 CCAA CCn1cc(CCN2CCC[C@@](O)(CC(N)=O)C2)cn1 643807606 XVZNRMFWKSHDFZ-CQSZACIVSA-N 280.372 0.148 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cc(OC)ccn1 643827462 GJAKSOQVHOMSOI-HNNXBMFYSA-N 293.367 0.817 0 50 CCAA Cc1ncsc1C(=O)N[C@@H]1CCO[C@@H]1C(=O)O 659170144 PRCDVDXULCIELF-RQJHMYQMSA-N 256.283 0.423 0 50 CCAA Cc1nc(C)c(F)c(N[C@H]2CCC(=O)N(C)C2=O)n1 572596115 IGUJKDAWNDQRPI-QMMMGPOBSA-N 266.276 0.792 0 50 CCAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CC([C@@H](C)O)C1 719937869 BGBLCFTUGJDDQL-SECBINFHSA-N 299.348 0.695 0 50 CCAA Cn1c(Cl)cnc1CN1CC[C@@](O)(Cn2ccnn2)C1 794156716 XRIXQPZEHVNSEA-LBPRGKRZSA-N 296.762 0.302 0 50 CCAA Cc1cnc(NCC(=O)N2CCCC2)nc1N(C)C 1529155584 UUGMIBHLURQKLY-UHFFFAOYSA-N 263.345 0.885 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cccnc1 209903981 NABFYSQMRFJOAQ-MNOVXSKESA-N 264.281 0.220 0 50 CCAA C[C@@](O)(CO)CNC(=O)C1CCC(F)(F)CC1 216478487 BQWVOSPQPIKGPX-JTQLQIEISA-N 251.273 0.671 0 50 CCAA Cn1ccc2c(C(=O)N3CC[C@H](N)[C@@H](O)C3)cccc21 216624575 LZOCYUAAGPUJSU-JSGCOSHPSA-N 273.336 0.712 0 50 CCAA COc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4324743 CRRGBVOIPIHHBT-JTQLQIEISA-N 269.322 0.612 0 50 CCAA Cc1nc(N2CC[C@]3(CNC(=O)CO3)C2)nc2c1CCC2 1772809702 CUFPUOOTWNYXOY-HNNXBMFYSA-N 288.351 0.369 0 50 CCAA CCCCN1C[C@@H](C(=O)N2CCOCC2)CC1=O 16552602 ZVMMBIHNBHFWCR-NSHDSACASA-N 254.330 0.494 0 50 CCAA COc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1 19363241 NHFOZTDVFFHBCI-CYBMUJFWSA-N 280.368 0.682 0 50 CCAA CCCn1ccnc1CNC(=O)[C@H]1CC[C@@H](O)[C@H](N)C1 1857711963 ATBRJNMYYOWTBH-QJPTWQEYSA-N 280.372 0.398 0 50 CCAA O=C(CNc1cccnc1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857721726 CTHSIBNKOFKJCN-KWCYVHTRSA-N 291.351 0.492 0 50 CCAA O[C@H](CN1CCC(Cn2cccn2)CC1)C1CCNCC1 1857670611 BORWUXPWDHSNJW-MRXNPFEDSA-N 292.427 0.956 0 50 CCAA C[C@@H]1CN(C(=O)NCc2nnnn2C2CC2)CCCO1 608731242 MRVYLUCIHCPNSE-SECBINFHSA-N 280.332 0.328 0 50 CCAA COc1cccc(CCNC(=O)[C@]2(C)CCC(=O)NC2)n1 330388694 NITXLXPWWJOTIF-OAHLLOKOSA-N 291.351 0.665 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H](c2cnc[nH]2)[C@@H](C(N)=O)C1 642881887 AVOVOFGSOJZINO-BDAKNGLRSA-N 280.328 0.846 0 50 CCAA COC(=O)c1sccc1NC(=O)CN1CCOC1=O 1850810887 REHDMAUGXBLHIP-UHFFFAOYSA-N 284.293 0.925 0 50 CCAA Cn1nnc2c1[C@@H](C(=O)NO[C@H]1CCOC1)CCC2 2325773496 IWVIZWNIWYEIHJ-IUCAKERBSA-N 266.301 0.072 0 50 CCAA C[C@H](O)CCn1cnc2c(N3CC(C)(CO)C3)ncnc21 2325815143 AAOKIPGRHGPOFT-JTQLQIEISA-N 291.355 0.416 0 50 CCAA Cn1nnnc1SCC(=O)N1CCc2ccccc21 417340 MUDWPPWPIHPZFO-UHFFFAOYSA-N 275.337 0.892 0 50 CCAA CN1CCOC2(CCN(C(=O)C(C)(C)CO)CC2)C1 2356147895 WQUSRQMHRWUEOI-UHFFFAOYSA-N 270.373 0.328 0 50 CCAA COCCOCCOCCOCCCC(=O)O 114838144 HKQFGVZYAYHZJS-UHFFFAOYSA-N 250.291 0.547 0 50 CCAA Cc1cncc(CCC(=O)N2CC[C@H](S(N)(=O)=O)C2)c1 330497190 ZAQJGDCZILKYPB-LBPRGKRZSA-N 297.380 0.212 0 50 CCAA CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cccc(C(=O)O)n1)C2 215479429 YORSKSOZDNBFEW-PWSUYJOCSA-N 289.335 0.832 0 50 CCAA COc1ccccc1CN1C(=O)N[C@@H](CC(=O)O)C1=O 218713453 ZPKAOBMXCUSFFX-VIFPVBQESA-N 278.264 0.590 0 50 CCAA CCn1c(C)cc(C)c(C(=O)N2CC(O)C2)c1=O 215107254 PJMHTRZZOBBZDI-UHFFFAOYSA-N 250.298 0.302 0 50 CCAA CN1C[C@H](N2C(=O)C3(CCSCC3)N=C2O)CC1=O 330076544 DWANDUXFBZLUDZ-MRVPVSSYSA-N 283.353 0.239 0 50 CCAA N=c1ccnc(CN2CCCC[C@H]2CN2CCCC2=O)[nH]1 366690156 ONEDEBNKVPEYHO-LBPRGKRZSA-N 289.383 0.866 0 50 CCAA NC(=O)c1cccc(S(=O)(=O)N2CCSCC2)c1 33359651 IESCHSWIJFYHMW-UHFFFAOYSA-N 286.378 0.523 0 50 CCAA O=S(=O)(c1ccc2c(c1)OCO2)N1C[C@@H](O)C2(CC2)C1 368796222 JBKPHXQRTXMDSB-GFCCVEGCSA-N 297.332 0.561 0 50 CCAA C/C(=C\C(=O)N1CCO[C@H](c2nn[nH]n2)C1)C1CC1 370855186 IIKNWNOPVVLRFI-PCGIRMHASA-N 263.301 0.456 0 50 CCAA O=C1NC(=O)[C@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]12 333655981 FVRXBWXUHFKMHC-KNVOCYPGSA-N 285.225 0.809 0 50 CCAA O=C(c1scc2c1OCCO2)N1CCOC[C@@H](O)C1 77419246 XDMRPGGUIJQCLN-QMMMGPOBSA-N 285.321 0.353 0 50 CCAA CN1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1ccccc1 216047061 VHGFTHLYELIKFP-AWEZNQCLSA-N 298.346 0.899 0 50 CCAA CCn1nc(C)c(C(=O)N2CC(N3CCNC3=O)C2)c1C 614819625 VTNKVINBSFTDNF-UHFFFAOYSA-N 291.355 0.369 0 50 CCAA Cn1ccnc1CN1CCN(C(=O)c2cnco2)CC1 220107597 QQZPYGUKYGWCHT-UHFFFAOYSA-N 275.312 0.366 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)C[C@H]2CCOC2)CC1 335715823 ANAGBRALRHSAJC-LLVKDONJSA-N 269.345 0.239 0 50 CCAA Cc1cc(=O)n(CC(=O)N2C[C@H](C3CC3)[C@@H](N)C2)nc1C 92028570 LXKCGVUXJYRJDR-OLZOCXBDSA-N 290.367 0.056 0 50 CCAA CC(=O)N(C)[C@H]1CCN(C(=O)c2cncnc2C)C1 97775943 CRMXTFSXCPIACH-NSHDSACASA-N 262.313 0.478 0 50 CCAA OC[C@H]1CN(c2nncs2)C[C@H]1CN1CCCC1 91997730 CCZFFXVUUQXQHV-GHMZBOCLSA-N 268.386 0.679 0 50 CCAA CN1CC[C@H](C(=O)N(C)Cc2ccccn2)CC1=O 334514587 WBKZIZCZZRLPHZ-NSHDSACASA-N 261.325 0.908 0 50 CCAA Cn1ccc(CC(=O)N2CCOc3ccncc32)n1 181643011 CKWVUBTWOYHXAY-UHFFFAOYSA-N 258.281 0.783 0 50 CCAA CSCC[C@H](N)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 299747997 FSWOVPFNAKOOHD-CHWFTXMASA-N 285.413 0.192 0 50 CCAA CSc1ncc(C(=O)NCCc2ncc[nH]2)cn1 534659578 FYQJYSZSNJDHSZ-UHFFFAOYSA-N 263.326 0.894 0 50 CCAA Nc1n[nH]c(CCNc2cc(N3CCCCC3)ncn2)n1 534588912 ZMRHDGGEYWVFFL-UHFFFAOYSA-N 288.359 0.822 0 50 CCAA CN1CCO[C@H](CNC2CSCCSC2)C1 534664767 SCHITHAWKLKMPI-LLVKDONJSA-N 262.444 0.755 0 50 CCAA Cc1ncn(C)c1C(=O)NCCCN1CCC(O)CC1 299772977 DHTVMOYNWSHYMX-UHFFFAOYSA-N 280.372 0.305 0 50 CCAA Cc1nonc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 299774209 FAAFPHONTIZJHF-JTQLQIEISA-N 266.301 0.206 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(C)on1 823350071 IRFKKLFEMIAFGW-QWRGUYRKSA-N 253.302 0.432 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCC(c2cc[nH]n2)CC1 584901991 IQUCMGLUKCQYSC-UHFFFAOYSA-N 260.301 0.856 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)C1 630255183 GXIJFRPXMFHTLU-ADADXYTCSA-N 285.340 0.748 0 50 CCAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC[C@@H](O)CO 952995431 LUHGGVWONCIJTP-YIYPIFLZSA-N 287.400 0.933 0 50 CCAA O=C(NCC1CCN(CCO)CC1)[C@H]1CC12CC2 952968587 MJRFPWRVISUCEW-GFCCVEGCSA-N 252.358 0.607 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N2CCC(F)(F)C2)C1=O 888076608 YNKXBXLWMZCZKI-SNVBAGLBSA-N 290.310 0.882 0 50 CCAA CNC(=O)[C@H](CO)NC(=O)OCc1ccccc1 49582135 RQLHVJRXJOFWQW-JTQLQIEISA-N 252.270 0.020 0 50 CCAA in-vitro C=CC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1ccnn1CC 1776007305 UEZHZUHMSVLLEF-RNCFNFMXSA-N 262.313 0.525 0 50 CCAA O=C(c1ccc(N2CC=CC2)nc1)N1CCOCC1 1163915624 HPFJSJWSXAQDNB-UHFFFAOYSA-N 259.309 0.930 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)c1cc(C2CC2)[nH]n1 1565514094 PTMUMGTYVLWOQC-CABZTGNLSA-N 265.313 0.821 0 50 CCAA Cc1nc(S(=O)(=O)NCC[C@H]2CCCN2)cn1C 166784143 SZRUZMQKRYUYQR-SNVBAGLBSA-N 272.374 0.149 0 50 CCAA CC(=O)N1CCC(N2CCC(C(=O)O)CC2)CC1 91304199 UALMQZFSSLRDAE-UHFFFAOYSA-N 254.330 0.794 0 50 CCAA in-vitro CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(C)=O 675861065 CEILDPXROWGRKC-VXGBXAGGSA-N 276.402 0.961 0 50 CCAA CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)C[C@@H]1CCCO1 407990265 MVCHVNQNHREPJY-WOPDTQHZSA-N 283.372 0.864 0 50 CCAA CN1C(=O)c2ccc(C(=O)N3CCC[C@@H](N)C3)cc2C1=O 191359485 WDAHDDZFLYQFPH-SNVBAGLBSA-N 287.319 0.476 0 50 CCAA CN1CC[C@@](N)(c2nc(C3(N)CCCC3)no2)C1 647138202 XFRZMLPAXARYFD-LBPRGKRZSA-N 251.334 0.287 0 50 CCAA OC[C@H]1CN(Cc2nnc(C3CC3)o2)CC[C@H]1O 687821753 GCPKGQUEPRYVTJ-NXEZZACHSA-N 253.302 0.122 0 50 CCAA O=S1(=O)CC[C@@H](CCN2CCC3(CCNCC3)C2)C1 693288957 WDSNPQUPTSPOPL-CYBMUJFWSA-N 286.441 0.887 0 50 CCAA CCN1CCC[C@@H](CN(C)C(=O)NCCC(=O)O)C1 1506405382 ZXDOONUJFHWQIJ-NSHDSACASA-N 271.361 0.834 0 50 CCAA COCC(=O)N1CCN(c2ccc(C(=O)OC)s2)CC1 457135966 VAYAJVNCVPJJKR-UHFFFAOYSA-N 298.364 0.830 0 50 CCAA CO[C@H]1C[C@@H](CO)N(C(=O)c2cn(C(C)C)cn2)C1 345476463 CRJMMVOEJSEOOJ-QWRGUYRKSA-N 267.329 0.686 0 50 CCAA CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](C(=O)O)C1 261891576 UATSWBXLVYJRQF-DTWKUNHWSA-N 271.317 0.147 0 50 CCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(Cc1ccccn1)C2 1772701741 BDSWRCFOTLUVSI-JSGCOSHPSA-N 291.351 0.299 0 50 CCAA OCC(CO)(CO)NCc1ccc(Cl)cc1Cl 5996049 QMEMXGDWCRTYKB-UHFFFAOYSA-N 280.151 0.799 0 50 CCAA Cc1nc(CC(=O)N2CC[C@@H](C(=O)O)[C@H](C)C2)n[nH]1 822443817 FFPYUMUOFOOWRF-VXNVDRBHSA-N 266.301 0.225 0 50 CCAA O=C(NCCCn1nnc2ccccc21)c1cc[nH]n1 19226559 XDLJYEJLESDPIS-UHFFFAOYSA-N 270.296 0.975 0 50 CCAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](N)[C@H]1N 19798840 AIOJNMKYPYMIQY-UCKQBZRPSA-N 280.324 0.127 0 50 CCAA Cc1ccc2ncnc(N3CCCC(CO)(CO)C3)c2n1 1857680999 ZCDJXWKIMHSUDG-UHFFFAOYSA-N 288.351 0.904 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)c1ccc3[nH]ccc3c1)C2 1875240803 FGLUKNJMVOGEIS-OLZOCXBDSA-N 299.330 0.755 0 50 CCAA Nc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2 6383023 LLTVQQOAWCNPMD-UHFFFAOYSA-N 256.309 0.910 0 50 CCAA in-vitro Cn1c(CCNC(=O)[C@H]2CNCCO2)nc2ccccc21 237737405 ROHHAFUPZIMPAK-CYBMUJFWSA-N 288.351 0.220 0 50 CCAA Cn1ccnc1CNC(=O)NCCC(=O)OC(C)(C)C 266577217 WRKMMMHPYGIXIR-UHFFFAOYSA-N 282.344 0.951 0 50 CCAA CCS(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21 13680639 SQUGTGCJHOYVLI-SNVBAGLBSA-N 270.310 0.089 0 50 CCAA CC(=O)Nc1ncccc1NC(=O)[C@H]1OCCO[C@H]1C 935339896 ZFFIQNJPNIUQAK-KWQFWETISA-N 279.296 0.782 0 50 CCAA COC(=O)[C@H](N)C1CC(NC(=O)OC(C)(C)C)C1 1857782972 GPKOTOUVCZVKQV-AMDVSUOASA-N 258.318 0.790 0 50 CCAA Cc1n[nH]cc1NC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 226394528 VFEPIDIOIQLIGC-IMSYWVGJSA-N 265.269 0.535 0 50 CCAA NC[C@H]1CCCN1C(=O)Cc1cn2ccccc2n1 238039903 LIKSDJXVVRCAGF-GFCCVEGCSA-N 258.325 0.827 0 50 CCAA COc1ccc(CCNCCS(C)(=O)=O)cc1OC 37491292 ULCMUTFTGRSDPL-UHFFFAOYSA-N 287.381 0.881 0 50 CCAA CNC(=O)[C@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1 171486861 NUWGMVVHLTZRJB-LLVKDONJSA-N 273.296 0.309 0 50 CCAA CCNc1ncc(C(=O)N(C)C[C@H]2COCCO2)cn1 91452058 PLZDVWCNRKNBDI-NSHDSACASA-N 280.328 0.396 0 50 CCAA Cn1cnnc1CN1CCN(C(=O)C2CCC2)CC1 670437332 BHDIVZGAMIOWRN-UHFFFAOYSA-N 263.345 0.259 0 50 CCAA NC[C@H](O)CNC(=O)c1cnn(-c2cccc(F)c2)c1 2325865548 GYWMBOWLGLSGHO-LBPRGKRZSA-N 278.287 0.061 0 50 CCAA CCOC(=O)N1C(=O)c2cc(OC)ccc2S1(=O)=O 356324 UIDDPSFDRZLNDH-UHFFFAOYSA-N 285.277 0.996 0 50 CCAA CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 2499852 SWOPZHFNBBRAPX-NSHDSACASA-N 276.402 0.964 0 50 CCAA O=C(CN1C(=O)CNC1=O)Nc1ccc(Cl)cc1 2840317 XRQVMGXCAQSQFG-UHFFFAOYSA-N 267.672 0.830 0 50 CCAA COCCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C 2852409 NVCRLMLPPUHZHI-GHMZBOCLSA-N 256.346 0.834 0 50 CCAA C[C@@H]1C(=O)N(C2CC2)Cc2nnc(CN3CCOCC3)n21 2356168058 NPGASNYTBVAUFQ-SNVBAGLBSA-N 291.355 0.176 0 50 CCAA CO[C@H]1C[C@@H](CO)N(Cc2cn(C(C)(C)C)nn2)C1 343983573 NVXMHXICQCLRKV-RYUDHWBXSA-N 268.361 0.615 0 50 CCAA CC(C)(C)NC[C@]1(O)C2CN3CCN(C2)CC1(C)C3 22034337 XMRMRZZKYWCFFY-ZALBZXLWSA-N 267.417 0.373 0 50 CCAA CCOC(=O)[C@@H](CC(=O)O)[C@@H](CC(=O)O)C(=O)OCC 59143938 LUQRYMIICZMAKY-OCAPTIKFSA-N 290.268 0.294 0 50 CCAA CS[C@H](C)CCN1CCC2(CC1)NCCNC2=O 67539918 YEZYHHFLEKHNLI-LLVKDONJSA-N 271.430 0.682 0 50 CCAA NC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2C2CCNCC2)nc1 361112653 VHIYETUKBTUMGX-WCQYABFASA-N 288.351 0.298 0 50 CCAA CC(=O)N(C[C@H]1CCCN1Cc1nncn1C)C1CC1 328620818 ADDRAVVRICATIC-CYBMUJFWSA-N 277.372 0.790 0 50 CCAA O=C([C@H]1CCC(O)=N1)N1CCOC[C@H]1CC(F)F 329213104 IWGIVSPNEYSYGB-HTQZYQBOSA-N 262.256 0.988 0 50 CCAA O=c1c(=N[C@@H]2CCO[C@]3(CCOC3)C2)[nH]ccn1C1CC1 329492301 TWYRFCBELGWEJW-IAQYHMDHSA-N 291.351 0.750 0 50 CCAA Cn1ccc([C@@H]2CCCCN2C(=O)c2cn[nH]n2)n1 72153554 VPFQIRYNJRRMMF-NSHDSACASA-N 260.301 0.906 0 50 CCAA COCCN1CN(C(=O)NCc2c(C)noc2C)CC1=O 282514914 TZTPWRGTJGVLGX-UHFFFAOYSA-N 296.327 0.249 0 50 CCAA O=C(CCC1CCOCC1)NCCc1nc(=O)o[nH]1 333306638 MSGFAIUNNKADAQ-UHFFFAOYSA-N 269.301 0.228 0 50 CCAA Brc1cnn(CCN2CCOCC2)c1 38074771 GIPVJDCXHNKXQU-UHFFFAOYSA-N 260.135 0.978 0 50 CCAA CNc1ccnc(N2CCC[C@]3(CN(C)C(=O)O3)C2)n1 72458018 FQXSWEVSBCLJOF-ZDUSSCGKSA-N 277.328 0.939 0 50 CCAA CC(C)n1cc([C@]2(O)CCN(c3ncc(F)cn3)C2)nn1 284574177 PDBOBKASDHODCI-ZDUSSCGKSA-N 292.318 0.886 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cccn2C(C)C)C1 284769172 GZKYPCDSRHTAMV-JQWIXIFHSA-N 279.340 0.784 0 50 CCAA CC(C)N1C[C@@H](C(=O)NCCSc2cn[nH]n2)CC1=O 77471575 CBLSLEXGNVWMOT-VIFPVBQESA-N 297.384 0.270 0 50 CCAA CCN(CC)C(=O)Cn1cnc2cnccc2c1=O 181266127 MNEYHPCUGUNNFZ-UHFFFAOYSA-N 260.297 0.660 0 50 CCAA CCOC1CCN(C(=O)c2cncc(=O)[nH]2)CC1 426707344 DJCZBKSQDDIRDE-UHFFFAOYSA-N 251.286 0.411 0 50 CCAA O=C1N[C@@H](C(=O)NCCn2cccn2)Cc2ccccc21 426386280 JMVOGXJVAKUQSH-CYBMUJFWSA-N 284.319 0.354 0 50 CCAA COCCN(C)C[C@@H]1CN(c2cc(C)ncn2)C[C@@H]1CO 92037846 QWXIIOKPXIABDU-ZIAGYGMSSA-N 294.399 0.408 0 50 CCAA C[C@@H](C1CCN(c2cc(N)ncn2)CC1)N1CCOCC1 95379152 QDATZDSVHNUGGD-LBPRGKRZSA-N 291.399 0.996 0 50 CCAA C[C@H]1CN(C(=O)CCc2nncn2C)C[C@@H](C)O1 97413327 LSVAWIHXWNTBCD-AOOOYVTPSA-N 252.318 0.384 0 50 CCAA CO[C@H]1C[C@@H](O)C12CCN(Cc1nnc(C)n1C)CC2 91830643 VVRLVPPXDUQNDP-NEPJUHHUSA-N 280.372 0.485 0 50 CCAA CSCCCN1CCN(c2ncc[nH]c2=O)CC1 97696211 OFKAWWOPZIHYQM-UHFFFAOYSA-N 268.386 0.645 0 50 CCAA O=c1[nH]ccn1CCN1CCC(N2CCC[C@@H](O)C2)CC1 244852915 VBRMFSVBGWAHMP-CQSZACIVSA-N 294.399 0.098 0 50 CCAA CCCn1ccnc1CNC(=O)C[C@@H]1CN(C)CCN1C 252482037 CXARAZXIBCXYBQ-CYBMUJFWSA-N 293.415 0.545 0 50 CCAA Cc1ncc(S(=O)(=O)N2CC[C@@H](C)[C@H]2C(=O)O)s1 300064769 OEOWUCBFLMRLLY-MUWHJKNJSA-N 290.366 0.935 0 50 CCAA Cc1ccc(C(N)=O)c(Sc2nnc(CN)n2C)n1 534663354 ZSLSPTMUDXDNNU-UHFFFAOYSA-N 278.341 0.227 0 50 CCAA CN1CCC(OCCCNC(=O)c2cncnc2)CC1 299757042 HTVXSRXOXUSIPP-UHFFFAOYSA-N 278.356 0.707 0 50 CCAA CCN(CCOC)C(=O)N[C@@H](C)Cn1cncn1 299672093 URBZCSSXUHXYSP-JTQLQIEISA-N 255.322 0.345 0 50 CCAA CCCN1C[C@@H](NC(=O)c2cc(O)ccc2N)CC1=O 822919087 BDJRKVMGVPPZFW-VIFPVBQESA-N 277.324 0.715 0 50 CCAA CN(C)C(=O)NCC(=O)NCCC1(O)CCCC1 827838681 BCFSFCAFCONEPE-UHFFFAOYSA-N 257.334 0.069 0 50 CCAA COCCn1cncc1CNS(=O)(=O)c1cccnc1 824466590 WNOXGCYDUDZPGN-UHFFFAOYSA-N 296.352 0.403 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCC(F)(F)CC1 827909860 XJBZDOLWTDYNOZ-UHFFFAOYSA-N 255.286 0.679 0 50 CCAA O=C(c1cncc(O)c1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 584894350 XPZJUZJQZKUJAU-KBPBESRZSA-N 291.351 0.458 0 50 CCAA CC[C@@](O)(CCCO)CNC(=O)c1nccn1C 584898247 OSBRFWSBHKPRNC-GFCCVEGCSA-N 255.318 0.064 0 50 CCAA Cn1cc(NC(=O)[C@@H]2CCc3[nH]ncc3C2)cc1C(N)=O 270488975 XKIBJSJJSVCQNZ-MRVPVSSYSA-N 287.323 0.591 0 50 CCAA COCCN(CC(=O)O)C(=O)[C@H]1C[C@@H](CC(=O)O)C1 1875335494 OTBGJIWETLTTRE-DTORHVGOSA-N 273.285 0.047 0 50 CCAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C1(O)CC1 1875395398 VZRMDIGRJQLJFJ-SECBINFHSA-N 265.313 0.778 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@@]34C[C@@H]3[C@H](O)C4)[C@@H]2C1 1875313373 LULXXIVMHYRKDW-ANINLJSHSA-N 265.309 0.373 0 50 CCAA O=C(Cc1cc(O)nc(O)n1)NC[C@H]1C[C@@H](O)C12CCC2 1875304704 RKAQUIVIWOAKJM-PSASIEDQSA-N 293.323 0.098 0 50 CCAA CC(=O)N1CCCN(c2nnnn2CCC2CCC2)CC1 952879329 OKXITUUGRSHAQN-UHFFFAOYSA-N 292.387 0.922 0 50 CCAA CCn1ncnc1CN[C@H](C)c1nncn1CCOC 952863792 GDLQWPLLGHMSPH-SNVBAGLBSA-N 279.348 0.387 0 50 CCAA CCc1nccn1CCC(=O)NCCc1ncnn1C 952864453 YZZALEMWXXIRBJ-UHFFFAOYSA-N 276.344 0.323 0 50 CCAA N[C@H]1C[C@H](NC(=O)COCc2ccccn2)C12CCC2 1775961407 YILJXPRGBQITFA-STQMWFEESA-N 275.352 0.984 0 50 CCAA O=C(CN1Cc2ccccc2C1)N1C[C@H]2CCN[C@H]2C1 1565517131 NVSCGBHWEYOWMX-CABCVRRESA-N 271.364 0.823 0 50 CCAA COc1ccnc(N2N=C([C@H](C)OC)CC2=O)n1 899347041 FVOQOLUDPGSAGC-ZETCQYMHSA-N 250.258 0.613 0 50 CCAA C[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H](C)N1C 408169939 ULSQCXPTDDYHSH-AOOOYVTPSA-N 276.402 0.361 0 50 CCAA O=C(NCCc1nc(=O)o[nH]1)c1ccnc(C2CC2)c1 577120572 BPODACQOKBXRMO-UHFFFAOYSA-N 274.280 0.608 0 50 CCAA O=C(NC[C@H](O)[C@H]1CCCO1)c1cc(C(F)F)[nH]n1 640725948 MBJMBIJZQCRLCT-DTWKUNHWSA-N 275.255 0.617 0 50 CCAA CSC[C@@H](C)C(=O)N1CCN(c2nc[nH]n2)CC1 585130386 OSNVXPZUKOTMAS-SECBINFHSA-N 269.374 0.452 0 50 CCAA Cc1cc(C(N)=O)c(N[C@@H]2CCCNC2=O)nc1C 1704338934 KXSMQOMCCJTOFZ-SNVBAGLBSA-N 262.313 0.488 0 50 CCAA CCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC 16576549 QZIBCEBVGCSXIK-UHFFFAOYSA-N 258.299 0.691 0 50 CCAA Cc1cncn1C1CCN(C(=O)[C@@H]2CNC(=O)O2)CC1 1615558109 HZZLCEUFEABJRF-NSHDSACASA-N 278.312 0.463 0 50 CCAA COc1ccccc1CN(C)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1 1857725859 PYBKRBJEYIPQIC-AVGNSLFASA-N 278.352 0.752 0 50 CCAA C[C@@H]1CN2C[C@@H](NC(=O)c3cccc(O)c3)C[C@H]2CO1 1857732858 KPZWPIGALMTQBG-WXHSDQCUSA-N 276.336 0.984 0 50 CCAA Cc1ncnc(N[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c1C 1857738332 CIALFPDVJBNQQG-IHRRRGAJSA-N 292.383 0.729 0 50 CCAA Cn1cc(-c2n[nH]cc2C(=O)NC2CCOCC2)cn1 681964610 UBFIKNQIIAPHTQ-UHFFFAOYSA-N 275.312 0.719 0 50 CCAA COCC1(NC(=O)[C@H](C)n2cnc3c(N)ncnc32)CC1 612520313 WQCBZOWNSPHTJI-QMMMGPOBSA-N 290.327 0.265 0 50 CCAA CCN1CCN(C(=O)Nc2ccon2)C[C@H]1c1ncc[nH]1 328615859 BCLOQAGMKOHANU-JTQLQIEISA-N 290.327 1.308 0 50 CCAA Cc1nc(C)c(C)c(N2CC[C@@](O)(Cn3ccnn3)C2)n1 671465936 BHKGJAWRLRXTEP-AWEZNQCLSA-N 288.355 0.635 0 50 CCAA Cn1c(=O)n(CCO)c(=O)c2ccc(C(F)(F)F)cc21 258658620 XEDAIIFQUAAUBR-UHFFFAOYSA-N 288.225 0.711 0 50 CCAA OC[C@H](O)C1CCN(CCn2cc(Cl)cn2)CC1 1772701449 MLHBMNAZBHBFIR-LBPRGKRZSA-N 273.764 0.602 0 50 CCAA CN1CCN(C)CCN(Cc2nnn(C(C)(C)C)n2)CC1 933990534 MMMLOBHQZVPMNE-UHFFFAOYSA-N 295.435 0.107 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)O)O[C@@H]2C1 1857783886 ITDXNVAQVFVJRQ-DJLDLDEBSA-N 273.285 0.474 0 50 CCAA Cc1cccc2nc(C(=O)N[C@@H]3COCC[C@H]3O)cn12 220513148 POGQJIXBGDKCIE-VXGBXAGGSA-N 275.308 0.522 0 50 CCAA C[C@H](CC(=O)N1CCC[C@](O)(C(N)=O)C1)C(C)(C)C 388966047 ULHAMOZKBQPKBN-QMTHXVAHSA-N 270.373 0.898 0 50 CCAA CCCN(CC(=O)N(C)C)Cc1cnn(CC)n1 838803455 OSKFOXGZSRWISF-UHFFFAOYSA-N 253.350 0.598 0 50 CCAA CCS(=O)(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 10009063 DHTMHPBRRNBLMT-NSHDSACASA-N 284.337 0.350 0 50 CCAA c1ccc2c(c1)CCN(Cc1nnc3n1CCNCC3)C2 2100477669 GNCUYOPLBNJTAQ-UHFFFAOYSA-N 283.379 0.982 0 50 CCAA Cc1cc(OCC(N)=O)ccc1NC(=O)CCCN 2325744370 YEACXLXJLCBPKQ-UHFFFAOYSA-N 265.313 0.537 0 50 CCAA O=C(CCn1cncn1)N=c1nc(C2CC2)[nH]s1 2325757784 CPEJDVOWBDNPIF-UHFFFAOYSA-N 264.314 0.458 0 50 CCAA O=C(NC[C@@]1(CO)CC[C@H]1CO)Nc1nccs1 2325772849 WRGXDCXOCRDRSX-GZMMTYOYSA-N 271.342 0.646 0 50 CCAA O=C1NCC[C@@H]1N1C(=O)N[C@]2(CCc3ccccc32)C1=O 849358009 VCWPWYKGWBYYDY-NHYWBVRUSA-N 285.303 0.268 0 50 CCAA C[C@@H](C(=O)N[C@@H](c1nn[nH]n1)C1CC1)n1cccc1 2325806890 MUVKSAKPFSILNW-WCBMZHEXSA-N 260.301 0.830 0 50 CCAA Cc1nc([C@H]2CCN(C(=O)[C@H](C(=O)O)C(C)C)C2)n[nH]1 911771761 DNRSQDKYKQKQOW-VHSXEESVSA-N 280.328 0.786 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)O)cc1 1652482 UAFPTDLCLKLJKA-GXSJLCMTSA-N 285.321 0.204 0 50 CCAA CN(C)CCN1CCN(Cc2ccn3ncnc3c2)CC1 2356168745 DLNXZJVRKVWSNX-UHFFFAOYSA-N 288.399 0.409 0 50 CCAA Cc1nonc1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C 225432795 CWISWJSYOKUMPA-JOYOIKCWSA-N 291.311 0.619 0 50 CCAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccn1 101054754 KCMUHCHPORKRCQ-DUBDDPSESA-N 297.314 0.827 0 50 CCAA COC(=O)[C@@H]1CNC[C@H](NC(=O)OC(C)(C)C)C1 22014214 NFLXTMHXWFFYGU-DTWKUNHWSA-N 258.318 0.662 0 50 CCAA COC(=O)CC[C@H]1CCCCN1C(=O)CS(C)(=O)=O 67841898 LNWWYJDOAOXLIM-SNVBAGLBSA-N 291.369 0.365 0 50 CCAA O=C(NCc1ccccc1-n1cncn1)c1ncc[nH]1 67803623 GALJNBHAUKSYJO-UHFFFAOYSA-N 268.280 0.920 0 50 CCAA CN1CCCC[C@@H]1C(=O)N[C@H]1CCc2nccn2C1 257365448 VBCQVRBZLKUBHQ-NWDGAFQWSA-N 262.357 0.798 0 50 CCAA CC(C)S(=O)(=O)CCN1CCC[C@@]1(C)C(=O)O 232736647 OSVKUSBGXPFXCR-NSHDSACASA-N 263.359 0.749 0 50 CCAA C[C@H]1C[C@@H](CN)CN1C(=O)c1cccc(OCC(N)=O)c1 261663476 GLHSZZIFRRMIRR-QWRGUYRKSA-N 291.351 0.360 0 50 CCAA Cc1ccc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1 370855815 KDPAJZMOHZQZBO-LLVKDONJSA-N 273.296 0.722 0 50 CCAA O=c1c2nnn(-c3ccccc3)c2ncn1CCF 340674278 GPPPIYACFMYKMT-UHFFFAOYSA-N 259.244 0.947 0 50 CCAA CN1CC2(CCN(Cc3nccn3C)CC2)C[C@@H]1C(=O)O 72147773 KLXQERFSPFVVAJ-GFCCVEGCSA-N 292.383 0.791 0 50 CCAA CN1CCN(c2cc(-c3cn[nH]c3)nc(N)n2)CC1 40834747 VFVAYAJYQHUFEX-UHFFFAOYSA-N 259.317 0.201 0 50 CCAA COc1ccc(F)c(F)c1C(=O)NCc1n[nH]c(N)n1 220096438 CYVVSEOBKPLWEE-UHFFFAOYSA-N 283.238 0.604 0 50 CCAA Cc1c(C(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)ccn1C 426544231 ANENPGXFAYJWIK-HNNXBMFYSA-N 291.351 0.407 0 50 CCAA CC(C)(C)n1cnc(C(=O)Nc2ccc(O)nn2)n1 292381768 QXQHVIIXXVGCSO-UHFFFAOYSA-N 262.273 0.781 0 50 CCAA CCN1CCC(CC(=O)N[C@@H](C)c2nnn[nH]2)CC1 95368919 QHJBFGGYNUAHFP-VIFPVBQESA-N 266.349 0.499 0 50 CCAA O=C1CNC(=O)N1Cc1nc(-c2ccncc2)no1 95354358 RXUZTKJXAIUBHD-UHFFFAOYSA-N 259.225 0.183 0 50 CCAA CCCN1CCC(CC(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)CC1 91725643 PCRKFTJHZJKJCQ-JTQLQIEISA-N 295.387 0.787 0 50 CCAA CCc1ncc(C(=O)NCCNC(=O)c2cccnc2)cn1 95365838 TXQKUXMNWLKKCY-UHFFFAOYSA-N 299.334 0.594 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)c2cccn2C(C)C)[C@H](O)C1 243893246 APSPOOPMQFRHTN-TZMCWYRMSA-N 293.367 0.781 0 50 CCAA CN(Cc1ccco1)C(=O)Cn1cnc2c(c1=O)CCC2 184102895 MFWZIPKJVIBCTK-UHFFFAOYSA-N 287.319 0.984 0 50 CCAA Cc1[nH]ncc1C(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 299746776 ZRLZMBGSTQCYGO-HTQZYQBOSA-N 290.245 0.454 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2cnc3c(c2)CCCC3)CCO1 534586008 YHUOTENDEVFDOM-ZDUSSCGKSA-N 290.319 0.886 0 50 CCAA COCC1(C(=O)NC[C@@H]2CN(C)CCO2)CCC1 367261168 XAGMDPIXMZSKLD-LLVKDONJSA-N 256.346 0.250 0 50 CCAA Cc1noc([C@@H]2CCN(C(=O)CCCn3cncn3)C2)n1 299793314 ILHDFIXTNJKKLJ-LLVKDONJSA-N 290.327 0.766 0 50 CCAA CC[C@@H](NC(=O)CNC(C)=O)c1ncnn1CC 299790432 PSZACNPAVWRMET-SECBINFHSA-N 253.306 0.001 0 50 CCAA CCC(=O)N1CCC(C(=O)NCCN2CCCC2=O)CC1 822529538 JKWQXQNCXICZRZ-UHFFFAOYSA-N 295.383 0.374 0 50 CCAA CCOc1ccnc(NC[C@@H]2CN(C)C(=O)CO2)n1 823399283 GWOFLEWLMZIAQL-SECBINFHSA-N 266.301 0.144 0 50 CCAA CNC(=O)c1noc(CNC(=O)C[C@H]2C=CCC2)n1 584898294 NXVLSIGWRKJGOB-QMMMGPOBSA-N 264.285 0.402 0 50 CCAA COc1ccc2ncn([C@H]3COC[C@@H]3O)c(=O)c2c1 584887119 TUJYZJQULPFSAI-RYUDHWBXSA-N 262.265 0.337 0 50 CCAA COCCN1CC[C@H](C(=O)N(C)CC2(C)COC2)C1 584902202 XGBJAXFTQIOXMM-LBPRGKRZSA-N 270.373 0.450 0 50 CCAA Cn1cc(CCC(=O)NCCN2CCCC[C@@H]2CO)cn1 670452211 HNKJIVKNBQUMEE-CQSZACIVSA-N 294.399 0.316 0 50 CCAA CCCN1C[C@H](NC(=O)Cn2ccnc2C)CC1=O 670457973 ZJZIUFNIVGUFOU-LLVKDONJSA-N 264.329 0.319 0 50 CCAA CC[C@H](N[C@H]1CCC[C@H]1OC)C(=O)N1CCOCC1 864235488 ZSJPZECRLSYPMX-RWMBFGLXSA-N 270.373 0.781 0 50 CCAA CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12 1875292670 PCUYWQFWXVGBKC-DUYQIWHPSA-N 253.298 0.781 0 50 CCAA CS(=O)(=O)NC(=O)[C@H]1C[C@]12CCOc1ccccc12 1875391131 ANKARMCHWMQCCK-MFKMUULPSA-N 281.333 0.803 0 50 CCAA Cn1nc(C(=O)N2CCC[C@@H]3C[C@H]32)c2c1CCNC2 1875315321 PDGXKXCDVQVQNZ-BXKDBHETSA-N 260.341 0.690 0 50 CCAA CS(=O)(=O)NC(=O)Cc1ccc(-n2cccn2)cc1 1875390251 QTXMIYNARBLORZ-UHFFFAOYSA-N 279.321 0.491 0 50 CCAA C=CC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 1875370017 XKNNTGNXUYACQT-UHFFFAOYSA-N 270.329 0.661 0 50 CCAA COCc1ccnc(CCNC(=O)/C=C/CN(C)C)n1 1875376621 DGFOYHPVYPLKMR-SNAWJCMRSA-N 278.356 0.400 0 50 CCAA Cc1ccc2c(=O)n(CC(=O)Nc3cnccn3)nnc2c1 1307361511 GCZUZTAHTKYJTJ-UHFFFAOYSA-N 296.290 0.529 0 50 CCAA Cn1cc(C(=O)N2CCCC[C@]23CCOC3)nn1 1347536001 PSUCYBLYOVUSIZ-GFCCVEGCSA-N 250.302 0.600 0 50 CCAA Cc1nc(N2CC[C@H](Nc3ncccn3)[C@@H](O)C2)no1 1565516975 DKDXLLCPHWIWEA-UWVGGRQHSA-N 276.300 0.220 0 50 CCAA CN(CC(=O)N[C@H]1CCOC[C@@H]1O)C1CCCC1 1565525518 WUPGGLHQVNBWHI-RYUDHWBXSA-N 256.346 0.127 0 50 CCAA Cn1nccc1C(=O)N1CC[C@@H](c2cc(O)n[nH]2)C1 898212051 BIJIOXXGJLAUHT-MRVPVSSYSA-N 261.285 0.479 0 50 CCAA CCOCC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O 1099634676 ZXIZYSACXQLVSE-KBPBESRZSA-N 293.367 0.170 0 50 CCAA Cc1noc(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1C 408013252 KDRCNRPYMFJPGZ-QMMMGPOBSA-N 275.330 0.510 0 50 CCAA COC[C@@H](NC(=O)c1ccccc1O)C(=O)OC 408513876 SLYFOPSKBJSYPV-SECBINFHSA-N 253.254 0.310 0 50 CCAA O=C(CNC(=O)c1cccc(O)c1)NC[C@@H]1CCC[C@H]1O 275168532 SADHNESXQFDTNK-WCQYABFASA-N 292.335 0.399 0 50 CCAA CCC(=O)N1CC[C@@H](Nc2ccc(S(C)(=O)=O)cn2)C1 680949422 QBHYIDYHLPPLEQ-SNVBAGLBSA-N 297.380 0.908 0 50 CCAA C[C@H](C1CC1)N(C)S(=O)(=O)NCCNc1ncccn1 736330614 ZENUDDBAHYFEQH-SNVBAGLBSA-N 299.400 0.453 0 50 CCAA O=C1[C@H](O)CCCCN1CC(=O)N1CCc2ccncc21 644419554 XWAZAPWTXJBFIH-CYBMUJFWSA-N 289.335 0.344 0 50 CCAA Cc1c[nH]nc1C(=O)N[C@@H](CC(=O)O)C(F)(F)F 715563564 OWXJAXZKMNPKHT-YFKPBYRVSA-N 265.191 0.854 0 50 CCAA Cn1cnc2cc(C(=O)NC[C@@H]3CNCCCO3)ccc21 579581002 ODXLXROVIALWFQ-LBPRGKRZSA-N 288.351 0.682 0 50 CCAA O=C(O)C[C@H](NC(=O)c1cncc(O)c1)C(F)(F)F 698693870 XEYSCSJRMZZGDL-ZETCQYMHSA-N 278.186 0.923 0 50 CCAA O=C(c1n[nH]c2ccccc12)N1CC[C@@H]2CNC[C@@H]21 209381583 YQJBYRGSRADNDJ-SKDRFNHKSA-N 256.309 0.997 0 50 CCAA Cc1nnc(N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)s1 1857685113 CHGZLPKGXBDULT-BXKDBHETSA-N 282.369 0.314 0 50 CCAA Cc1cc(C)nc(CN(C)C(=O)[C@H]2CNCCOC2)c1 1857705294 BDKWZJIHBWBEBW-ZDUSSCGKSA-N 277.368 0.893 0 50 CCAA Cn1nnc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=N)O)n1 333368677 YQELFHCKXDRWPK-NRPADANISA-N 250.306 0.346 0 50 CCAA CCc1cc(C(=O)N2C[C@H]3COCC[C@]3(C(=O)O)C2)n[nH]1 1857528218 NTIGOKRWNDRWFH-XPTSAGLGSA-N 293.323 0.535 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857723844 ZAOSPSYDGQKBFM-GRYCIOLGSA-N 293.371 0.341 0 50 CCAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1nc(C3CC3)no1)C2 1875240787 ZOPXMXKEKZVHQG-MNOVXSKESA-N 292.339 0.236 0 50 CCAA O=C([C@@H]1C[C@]12CCOC2)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 329076434 CDGIBUFZSUBUFX-HAFSJTIUSA-N 295.379 0.801 0 50 CCAA C[C@@H](CNC(=O)c1ncccc1O)N1CCN(C)CC1 129652086 BYSGTBBZNHQOTF-NSHDSACASA-N 278.356 0.153 0 50 CCAA O=S(=O)(CCN1CC[C@H](CO)[C@@H](O)C1)c1ccccc1 683895310 BUKGCWVSAKEZSG-OCCSQVGLSA-N 299.392 0.135 0 50 CCAA Cc1nc2c([nH]1)CC[C@@H](C(=O)n1ncc(C#N)c1N)C2 162565227 KBKSUVSOZCUQRM-MRVPVSSYSA-N 270.296 0.814 0 50 CCAA Cc1c(O)nc2ccccc2c1C(=O)N[C@@H]1CNC(=O)C1 935268914 LPFQWNUBNTXECA-VIFPVBQESA-N 285.303 0.867 0 50 CCAA O=C(c1nc[nH]n1)N1CCN(Cc2ccccc2)CC1 18181409 YPDUKPMDFAZLGT-UHFFFAOYSA-N 271.324 0.763 0 50 CCAA CO[C@H]1COC[C@@H]1NCc1ccccc1C(=O)O 952965235 SXKCGKGBPRNSCV-RYUDHWBXSA-N 251.282 0.888 0 50 CCAA CN(C)CCCNC[C@@H](O)COc1ccccc1 1817475 XELOOTAZVDARBY-CYBMUJFWSA-N 252.358 0.968 0 50 CCAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2ccno2)C1 2356157084 DKMBJAWLUOSXIV-HNNXBMFYSA-N 299.334 0.997 0 50 CCAA CCN1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)CC1 6725397 LZAFQRGCPDCCGE-NEPJUHHUSA-N 266.341 0.818 0 50 CCAA COC(=O)c1cncnc1N(C)C[C@H](C)C(=O)OC 225822564 YFNLEWNPJJFUAW-QMMMGPOBSA-N 267.285 0.509 0 50 CCAA CC(C)C[C@@H](C(=O)O)N(C)C(=O)[C@H]1CCCS1(=O)=O 519782293 VKQAIHBQDJXOAT-VHSXEESVSA-N 291.369 0.521 0 50 CCAA O=S(=O)(NCC[C@@H]1CCCCO1)c1c[nH]cn1 227320225 QWTQWQYJPOBFIQ-VIFPVBQESA-N 259.331 0.647 0 50 CCAA CCOC(=O)c1cc2c(=O)[nH]c(=O)n(CC)c2nc1C 67640853 IAWQXEUHBAOELI-UHFFFAOYSA-N 277.280 0.590 0 50 CCAA O=c1c2cccc(F)c2ncn1C[C@@H]1CNCCO1 32553370 FPFQCHLBJUIPGC-VIFPVBQESA-N 263.272 0.524 0 50 CCAA CC(C)(CO)CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 65410025 HTBZMEZYJHDQKY-SECBINFHSA-N 254.330 0.132 0 50 CCAA OC1CCN(c2ccnc(NCCn3ccnn3)n2)CC1 65436195 ZHSFMHSKZDNISV-UHFFFAOYSA-N 289.343 0.141 0 50 CCAA CN(Cc1ccccc1)S(=O)(=O)c1ncn[nH]1 81509 BFSCDKWOVDJXCM-UHFFFAOYSA-N 252.299 0.625 0 50 CCAA COC[C@@H](C)C(=O)N1CC[C@@H](N(C)CCO)[C@H]1C 328592298 VYONIGASQAGGLJ-IJLUTSLNSA-N 258.362 0.182 0 50 CCAA Cc1ccc(C(=O)N2CCc3c(ncn(C)c3=O)C2)o1 328627189 MOPOZRJYROEICJ-UHFFFAOYSA-N 273.292 0.880 0 50 CCAA O=C(O)c1ccc(C[C@@H]2CCN(C(CO)CO)C2)cc1 72434358 PGSOSLZSNNRUJC-LBPRGKRZSA-N 279.336 0.602 0 50 CCAA Cc1cc(C)n2ncc(C(=O)NC3(C(=O)O)CC3)c2n1 131661149 IUXIDYBIOSMASS-UHFFFAOYSA-N 274.280 0.693 0 50 CCAA Cn1c(=O)c(CN2CCOC[C@@H]2CO)cc2ccccc21 216407456 DJTGQPULITYEOA-AWEZNQCLSA-N 288.347 0.732 0 50 CCAA O=C(C1=COCCO1)N1CCN[C@H](c2cccnc2)C1 374384783 IQELYGFXGODGKD-LBPRGKRZSA-N 275.308 0.443 0 50 CCAA Cc1ccc(N2C[C@H](C(=O)N(C)CC(=O)O)CC2=O)cc1 237156722 IVJXICBLAIAVFL-LLVKDONJSA-N 290.319 0.891 0 50 CCAA COC(=O)CCCN1CCN(C(=O)[C@H]2CCCN2C)CC1 175010265 OORZHQCEPKXDLE-CYBMUJFWSA-N 297.399 0.178 0 50 CCAA C[C@H](NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)O 178831445 BXZSYZCOMRMNFU-ZLUOBGJFSA-N 282.218 0.033 0 50 CCAA C[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1ccc(F)cc1 97713582 JAMDUDNJRKLGSL-GGZOMVNGSA-N 252.289 0.726 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)c2nonc2C)C1 91848036 CBOCXBKLPACBSZ-ZDUSSCGKSA-N 283.328 0.629 0 50 CCAA CCn1nccc1S(=O)(=O)N1CCc2[nH]cnc2C1 95375628 QPWBWJZZMCSOLR-UHFFFAOYSA-N 281.341 0.373 0 50 CCAA C[C@H](CN1CCOCC1)C(=O)NCC1(CO)CCC1 331392862 DPJCIXLGHNLRDY-GFCCVEGCSA-N 270.373 0.234 0 50 CCAA C[C@@]1(O)CCN(c2nc3c(cc2C(=O)O)CCC3)C[C@@H]1O 97679925 UWHVLCJCYCRCMO-SWLSCSKDSA-N 292.335 0.591 0 50 CCAA O=C(O)c1cncnc1NCc1nc(-c2cnccn2)n[nH]1 95387441 GURYHZPJIGADNA-UHFFFAOYSA-N 298.266 0.362 0 50 CCAA Cn1ncnc1-c1ccnc(N2CCN3CCC[C@H]3C2)n1 244734620 NIZRGAQZXIJKKT-NSHDSACASA-N 285.355 0.557 0 50 CCAA O=C(c1n[nH]c(O)n1)N1CC[C@H](n2ncc3ccccc32)C1 542831808 VYOLCLSCYXDGLW-JTQLQIEISA-N 298.306 0.947 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@@H](CC(C)C)c1ncnn1C 534578702 PAHBUQWUPSYYAR-VIFPVBQESA-N 277.332 0.759 0 50 CCAA COc1cccc2c1NC(=O)[C@@H]1C[C@@H](O)CN1C2=O 534585975 RVAGRCGEGXCZTJ-APPZFPTMSA-N 262.265 0.223 0 50 CCAA O=C1C[C@@H](C(=O)NCCn2ccnn2)C2(CCCC2)O1 534651519 BNVJQALUPOFVEC-JTQLQIEISA-N 278.312 0.270 0 50 CCAA COCC1(CNC(=O)[C@H](C)N2CCN(C)CC2)CCCC1 456848139 AFCZCWBEFWXJOH-AWEZNQCLSA-N 297.443 0.945 0 50 CCAA CN1CC[C@@H](NC(=O)C2CCN(C3CCOCC3)CC2)C1 823755219 IULPSEWNWCXVFT-CQSZACIVSA-N 295.427 0.698 0 50 CCAA Cc1c[nH]c(CN2C[C@H](O)C[C@H]2C(=O)O)c(C)c1=O 584885045 ARPRBLCMLSKACK-KOLCDFICSA-N 266.297 0.012 0 50 CCAA Cc1ccc2c(CCC(=O)N[C@@H]3CC(=O)NC3=O)c[nH]c2c1 1875295006 AVDTXRJXHLEUOD-CYBMUJFWSA-N 299.330 0.940 0 50 CCAA O=C1CCc2c(cccc2C(=O)N2C[C@H]3C[C@@]3(O)C2)N1 1875294996 AKWIKXTZFOTZML-RFAUZJTJSA-N 272.304 0.778 0 50 CCAA Cc1nc(C(=O)NC[C@](C)(O)[C@H]2CCCCO2)no1 1875306094 RXLVSTOOIALBBU-SKDRFNHKSA-N 269.301 0.428 0 50 CCAA Cn1nccc1[C@@H](N)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 958527936 IZNTVKINVWQQRN-RISCZKNCSA-N 296.371 0.792 0 50 CCAA CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 408144511 MAFKUKLHVJPHOL-RYUDHWBXSA-N 295.383 0.515 0 50 CCAA N[C@@H]1CN(C(=O)C(=O)O)CC[C@H]1c1ccc(F)cc1 408525754 BJULJTNEIGURQV-WDEREUQCSA-N 266.272 0.554 0 50 CCAA CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2CO)c1 170606621 KSIWGRCZLCGKQE-PWSUYJOCSA-N 298.364 0.048 0 50 CCAA Cc1occc1CN1CCC[C@](O)(CC(N)=O)C1 643747872 RDBJSCZOQDSLHA-ZDUSSCGKSA-N 252.314 0.790 0 50 CCAA Cc1cc2c(N3CCC[C@@](O)(CC(N)=O)C3)nccn2n1 643713501 VXASCNLFFLZYBR-CQSZACIVSA-N 289.339 0.244 0 50 CCAA COC[C@H]1[C@@H](NC(=O)CCCn2cccn2)[C@H]2CCO[C@H]21 1074601481 KRCSEOJEJUPVRD-PAPYEOQZSA-N 293.367 0.829 0 50 CCAA CC1=NNC(=O)[C@H]1CCNC(=O)c1ccc(C(=O)O)cc1 570867175 SSFVZZURAPEURK-NSHDSACASA-N 289.291 0.627 0 50 CCAA COc1ccc(CNC(=O)CSc2nnnn2C)cc1 614356 QHEHOGXIYYUBQQ-UHFFFAOYSA-N 293.352 0.627 0 50 CCAA CN(C)C[C@]1(CO)CCCN(Cc2nc(C(=O)O)co2)C1 1529099134 RDRAKMBHLSMNIL-CQSZACIVSA-N 297.355 0.509 0 50 CCAA COC[C@H]1CN(Cc2cn(C)nn2)CC(C)(C)O1 408031863 XZPNMFILRLVECU-LLVKDONJSA-N 254.334 0.441 0 50 CCAA COCc1nc(C)cc(N2CCS(=O)(=O)CC2)n1 408255123 GQIOHGKXOLFBHV-UHFFFAOYSA-N 271.342 0.166 0 50 CCAA CCc1c(C)nc(N)nc1N1CC[C@@]2(CNC(=O)CO2)C1 1800412302 XMDXYFZXIUSLGE-CQSZACIVSA-N 291.355 0.025 0 50 CCAA Cc1nnc(CNC(=O)c2ccn(C(C)C)n2)n1C 330691895 AGOBIKHSIVDFKM-UHFFFAOYSA-N 262.317 0.831 0 50 CCAA CN1C[C@@H](CN2CCC(C)(CO)CC2)CCC1=O 1800414152 LNIAOYZSNWREHT-LBPRGKRZSA-N 254.374 0.949 0 50 CCAA CCc1ncnc(N2CC(NC(=O)NC)C2)c1F 253398555 WVBZBPIUTNSWOD-UHFFFAOYSA-N 253.281 0.296 0 50 CCAA Cc1ccc2c(c1)N(CC(=O)NC1CC1)C(=O)CO2 423119 KOEPWYPVPKFORJ-UHFFFAOYSA-N 260.293 0.999 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)c1c(Cl)c(C)nn1C 1565512711 ZSBIRBHOHTWXCL-IUCAKERBSA-N 287.747 0.916 0 50 CCAA C[C@H](NCc1c(C2CC2)cnn1C)C(=O)N(C)C 1620927076 PIEOPDKZOBTYOO-VIFPVBQESA-N 250.346 0.864 0 50 CCAA CC1=NC(=O)C2(CCN(CC[C@H]3COCCO3)CC2)N1 1775978467 ODMVZBHOBAIBLC-LBPRGKRZSA-N 281.356 0.175 0 50 CCAA CC(=O)c1ccccc1OC[C@@H](O)CN1CCN(C)CC1 19368408 JOKCWTAONQDAME-AWEZNQCLSA-N 292.379 0.876 0 50 CCAA CC(=O)NCCSc1nnnn1-c1ccccc1 4956941 XVKAAJHUOSFBBC-UHFFFAOYSA-N 263.326 0.891 0 50 CCAA Cc1ccc(C)c(CC(=O)N[C@H]2CCO[C@H](CO)[C@H]2O)c1 1857676600 VCNUEQCRRHCMNH-LZWOXQAQSA-N 293.363 0.473 0 50 CCAA CN(CCc1ncon1)C(=O)[C@H]1CCn2nccc2C1 1857731509 SZLCDJAAJZZCHW-JTQLQIEISA-N 275.312 0.530 0 50 CCAA CC(C)[C@H](O)Cn1cnc2c(nnn2-c2ccccc2)c1=O 916836887 PKIROKVOQGAUIE-GFCCVEGCSA-N 299.334 0.994 0 50 CCAA Cn1cc(CNC(=O)[C@@H]2NCC[C@H]3CCCC[C@@H]32)nn1 1650364710 LXTZBGRDHKRELP-KGYLQXTDSA-N 277.372 0.600 0 50 CCAA CC1(C)COCC[C@H]1NC(=O)c1cc(O)ncn1 1875278697 WOZBQUGIFYDDFJ-SECBINFHSA-N 251.286 0.727 0 50 CCAA CC(C)c1cc(C(=O)Nc2[nH]nnc2C(N)=O)on1 1128792816 CMESLEWIGGGMDC-UHFFFAOYSA-N 264.245 0.267 0 50 CCAA NC[C@@H]1CC(C(=O)NCC[C@@H]2CCCCO2)=NO1 852885174 SHOPHYZIGDSYKN-UWVGGRQHSA-N 255.318 0.165 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1cc2c(nc1O)CCC2 859370958 RGVUAUACSVCWGD-UHFFFAOYSA-N 289.335 0.537 0 50 CCAA Cc1c(C(=O)O)cccc1S(=O)(=O)Nc1nnn(C)n1 127096930 PYLWIDHWGOMYOU-UHFFFAOYSA-N 297.296 0.018 0 50 CCAA Cc1nn(C)cc1C(=O)N(C1CC1)[C@@H](C)C(=O)O 262666073 VUSHBXICSOXNQY-QMMMGPOBSA-N 251.286 0.806 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)CCOCC(F)(F)F)C1 311987985 RVHDMSXZIGOIFX-DTWKUNHWSA-N 285.262 0.564 0 50 CCAA CC(=O)NCC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 407961348 DJRBBBWUQGDNBE-YNEHKIRRSA-N 268.357 0.665 0 50 CCAA CCN(Cc1cnnn1C)C[C@@H](O)C(F)(F)F 330816470 CBQFDSNWUBNIKO-MRVPVSSYSA-N 252.240 0.560 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1cnn[nH]1 818026537 QGJIIPDCPVOVQZ-SSDOTTSWSA-N 267.289 0.753 0 50 CCAA O=C(CCOc1ccccc1)N1C[C@@H](O)[C@H](F)C1 1857689644 IUIDTOZFMWVHMT-VXGBXAGGSA-N 253.273 0.997 0 50 CCAA O=C(NN1CCCNC1=O)c1ccnn1C1CCC1 935271643 GTTKNVLBSKIYNY-UHFFFAOYSA-N 263.301 0.668 0 50 CCAA CCOC(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 113515505 YCSWTNOOIHXDLP-UHFFFAOYSA-N 259.302 0.968 0 50 CCAA C[C@H](C(=O)Nn1cnnc1)N1C(=O)c2ccccc2C1=O 186410 DPHWRSZGLGDEGA-MRVPVSSYSA-N 285.263 0.033 0 50 CCAA C[C@@H](c1nnc2n1CCOCC2)N1CCOCC1 2356149617 MDJOCSZHGPNFDH-JTQLQIEISA-N 252.318 0.244 0 50 CCAA O=C(O)[C@@H]1CCCN1c1nnnn1-c1ccccc1 22170413 PAVOBZJIUSOSDC-JTQLQIEISA-N 259.269 0.716 0 50 CCAA CCn1cnnc1CCNC(=O)c1ccc2c(c1)OCO2 67434031 FEMJSCRYXZFZKP-UHFFFAOYSA-N 288.307 0.999 0 50 CCAA CN1CCO[C@H](C(=O)Nc2cc(C(=O)N(C)C)ccn2)C1 330393299 HXVLKOGQIGKQIO-NSHDSACASA-N 292.339 0.053 0 50 CCAA Cc1c(C(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cnn1C 229238168 XPQFXRGCTMSEHT-SRVKXCTJSA-N 294.399 0.956 0 50 CCAA Cc1c(NC(=O)CN2CCCCC2=O)cnn1C 177257520 GTUDTZRNZCKSFU-UHFFFAOYSA-N 250.302 0.680 0 50 CCAA C[C@@H](NC(=O)CCn1ccc(=O)[nH]c1=O)C1=CCCCC1 67834444 WKWYZFWGTWGMDP-LLVKDONJSA-N 291.351 0.932 0 50 CCAA Cc1c(C(=O)OC(C)(C)C)nnn1-c1nonc1N 62815 GLKVKXXLWPVOFX-UHFFFAOYSA-N 266.261 0.496 0 50 CCAA O=C(NCCCn1ccnn1)c1nc2ccccc2c(=O)[nH]1 182403783 HSTTUKGQQREQFY-UHFFFAOYSA-N 298.306 0.335 0 50 CCAA NS(=O)(=O)c1ccc(OCC(=O)O)cc1Cl 71771385 WWXFSRNOQWLKFZ-UHFFFAOYSA-N 265.674 0.451 0 50 CCAA C[C@@H]1CN(C(=O)c2cccc(-n3cccn3)n2)CCN1 155123440 KIDNHSGMWUZCLU-LLVKDONJSA-N 271.324 0.701 0 50 CCAA O=C(c1ncoc1C1CC1)N1CCOC[C@H]1c1nc[nH]n1 329186743 PWOSGNCMCRSLMX-VIFPVBQESA-N 289.295 0.884 0 50 CCAA CNC(=O)c1ccc(=NC[C@H]2OCCc3ccccc32)[nH]n1 363299651 SCSDAKJLUPZTTE-CQSZACIVSA-N 298.346 0.984 0 50 CCAA C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H](C2CC2)O1 330044984 HXIDKFDBXSFQDB-WXHSDQCUSA-N 289.397 0.995 0 50 CCAA COC[C@H](C)n1ccc(=NC(=O)N[C@H]2C[C@H](O)C2(C)C)[nH]1 332056630 VZPKGZSMGRDSQF-DCAQKATOSA-N 296.371 0.793 0 50 CCAA CC(C)CN1CC[C@@H](C(=O)N(CCN(C)C)CC(=O)O)C1 236769703 UQXXAKCYMVMOEI-CYBMUJFWSA-N 299.415 0.439 0 50 CCAA O=C(Cc1cccnc1)N[C@H]1CNCCC1(F)F 335654368 UNNBUGOZILULBW-JTQLQIEISA-N 255.268 0.738 0 50 CCAA Cc1ccc(F)c(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 335667052 ASQLFLWDDCYTNP-LLVKDONJSA-N 291.282 0.510 0 50 CCAA CCc1nn(C)cc1C(=O)N1CCS(=O)CC1 408082698 HDLIQPMEXJNAJJ-UHFFFAOYSA-N 255.343 0.187 0 50 CCAA CN(C)c1cncc(N2CCC3(CC2)CNC(=O)C3)n1 77524939 SKSCYSIIBURXBG-UHFFFAOYSA-N 275.356 0.649 0 50 CCAA CN(C)c1ccc(CC(=O)N2CCOC[C@@H](O)C2)cc1 77458414 BGTYBDVCLUZUJL-AWEZNQCLSA-N 278.352 0.515 0 50 CCAA C[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@H]1N1CCOCC1 241720851 QSVQIRHBMCLCKQ-VXGBXAGGSA-N 295.387 0.288 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N2CCOC[C@H]2C)C1 242339164 ZFKBVMKIKSRXMM-WDEREUQCSA-N 262.375 0.684 0 50 CCAA NC(=O)NCC(=O)NCc1nncn1C1CCCCC1 221403075 HJHWMXMJSKNSBC-UHFFFAOYSA-N 280.332 0.068 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)[C@H](OC)c2ccccc2)C1 286273040 UFOFPEVOOZQEGB-RWMBFGLXSA-N 292.335 0.475 0 50 CCAA Cc1nnnn1CCC(=O)N1CCCC[C@H](N(C)C)C1 82138470 FJKWAEHVTCZTEQ-LBPRGKRZSA-N 280.376 0.314 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCCC[C@]1(C)C(=O)O 426387033 FJJDSPSXLLYPPP-LLVKDONJSA-N 252.274 0.583 0 50 CCAA Cc1ncc(C(=O)N2CCO[C@H](C(=O)O)C2)s1 178232229 SEOYXALNSRVFMR-ZETCQYMHSA-N 256.283 0.377 0 50 CCAA CCS(=O)(=O)C1CN(C(=O)[C@H]2CCCOC2)C1 328598371 LWSSZACYWBVPHI-VIFPVBQESA-N 261.343 0.059 0 50 CCAA COCc1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 178819094 YXAFNLSNRZKEMY-LLVKDONJSA-N 271.338 0.900 0 50 CCAA COC1CCN(c2cc(NC[C@H](C)O)ncn2)CC1 294508369 TWSLLMUWYHDSFN-JTQLQIEISA-N 266.345 0.885 0 50 CCAA CCn1ccc(C(=O)N[C@@H](CSC)C(=O)O)cc1=O 426394467 CLDNLXFQYPKAJJ-VIFPVBQESA-N 284.337 0.414 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 244773730 PFKDRZOLUUCPBO-XRNSZHNASA-N 290.327 0.089 0 50 CCAA C[C@@H](CCC(=O)NCCc1cnccn1)N1CCOCC1 240824895 QLRPKVNZFGZSBB-ZDUSSCGKSA-N 292.383 0.636 0 50 CCAA OC1CCN(Cc2cc3n(n2)CCCNC3)CC1 601013341 GZLVPFTYDICWBF-UHFFFAOYSA-N 250.346 0.333 0 50 CCAA Cc1nc(CC2CCN(CCn3cc[nH]c3=O)CC2)no1 252484937 GKTOOMADWOVWBY-UHFFFAOYSA-N 291.355 0.823 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)c1coc(CC2CC2)n1 184374114 SZQPDEFPLWDPKL-UHFFFAOYSA-N 277.324 0.978 0 50 CCAA CSc1ncc(CNC(=O)N2CCOCC2)n1C 534585895 LGKOZSRDSZIPPH-UHFFFAOYSA-N 270.358 0.684 0 50 CCAA N=c1cc(-c2ccc(C(=O)N[C@@H]3CCOC3)cc2)[nH]c(=N)[nH]1 534646632 XRGOYWBDAHDSQZ-LLVKDONJSA-N 299.334 0.487 0 50 CCAA C[C@@H]1C[C@@H]1c1nc(C(C)(C)NS(C)(=O)=O)no1 225607004 GQTUMHKZMQAOOP-RQJHMYQMSA-N 259.331 0.977 0 50 CCAA Cn1cc(NC(=O)N2CCC(N3CCOCC3)CC2)cn1 299767795 KMNXWUNZRXMRLN-UHFFFAOYSA-N 293.371 0.749 0 50 CCAA CN(C)C[C@](C)(O)c1ccc2c(c1)CNCCO2 299767106 CQOHRAJIULTSLL-AWEZNQCLSA-N 250.342 0.938 0 50 CCAA Cc1n[nH]nc1C(=O)NCCc1nncn1C(C)C 299771661 VRGSMPIKZRLWMQ-UHFFFAOYSA-N 263.305 0.258 0 50 CCAA O=C(CCCc1cn[nH]c1)N1CCN(c2nc[nH]n2)CC1 299768543 JYFXDSJEEYVJHK-UHFFFAOYSA-N 289.343 0.199 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1O)c1scc2c1OCCO2 629235319 BHNAKRXNJSOMSI-YUMQZZPRSA-N 285.321 0.399 0 50 CCAA O=C(C[C@@H]1CCCOC1)NCCCN1CCC(O)CC1 828631172 WRGKSXCQLPVYNC-ZDUSSCGKSA-N 284.400 0.766 0 50 CCAA COc1cc(OC)nc(N(C)CCCN2CCOCC2)n1 824845480 SMEZMWUSDSJIEI-UHFFFAOYSA-N 296.371 0.652 0 50 CCAA CN(C)C(=O)NCC(=O)NC[C@H]1CC[C@H](CO)CC1 584902192 LGDVFIPBMGIIBQ-XYPYZODXSA-N 271.361 0.173 0 50 CCAA Cc1n[nH]c(C)c1CNC(=O)c1ccc(-n2cnnc2)nc1 670450610 KFLWVMOCJFJPOK-UHFFFAOYSA-N 297.322 0.932 0 50 CCAA CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)O)C1 585091543 YWRWWZSDSYJNMZ-UHFFFAOYSA-N 268.273 0.768 0 50 CCAA CCn1nc(CO)c2c1CCN(C(=O)C[C@@H]1CCOC1)C2 670456256 RDZMCVHZCBEZJX-NSHDSACASA-N 293.367 0.707 0 50 CCAA COCCN1CC[C@@H](CN(C)C(=O)c2cncn2C)C1 584891050 CWJDALPQXOEGQJ-LBPRGKRZSA-N 280.372 0.460 0 50 CCAA CN(C[C@H]1CCN(C)C1(C)C)c1cncc(C(N)=O)n1 670446548 LWRYBCBXHCUDHA-SNVBAGLBSA-N 277.372 0.742 0 50 CCAA CCCCN1CCN(c2cncc(C(N)=O)n2)CC1=O 670473713 HTWFGKZROINRAU-UHFFFAOYSA-N 277.328 0.024 0 50 CCAA NC[C@H](O)CNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 1548570905 JWBWIZVYUNNKJZ-JGGQBBKZSA-N 274.364 0.716 0 50 CCAA O=C(N[C@@]1(CO)CCSC1)[C@@H]1CSCCS1 1875297767 CPMUZBZIHLIYBD-WCBMZHEXSA-N 279.452 0.819 0 50 CCAA C[C@H](ONC(=O)[C@@H]1COC(=O)N1)c1ccncc1 1875297997 LIWXUOQQGBTBMV-CBAPKCEASA-N 251.242 0.299 0 50 CCAA COC1CN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C1 1875290038 LSBAJBOELVBBRM-JGVFFNPUSA-N 265.313 0.903 0 50 CCAA C[C@]1(C(=O)NC[C@H](O)c2ccccc2F)CCNC1 269245573 QXWLGIBDQAHDSO-JSGCOSHPSA-N 266.316 0.975 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2CNCCO2)C[C@H](c2ccccc2)O1 269260841 QXROZWMRPKIGET-VHDGCEQUSA-N 290.363 0.963 0 50 CCAA CN(C)C/C=C/C(=O)NCCCCn1ccccc1=O 1875375647 HRQREIYMUQTVMF-BQYQJAHWSA-N 277.368 0.863 0 50 CCAA O=C(Cc1cc(O)nc(O)n1)NC[C@H]1C[C@H](O)C12CCC2 1875304705 RKAQUIVIWOAKJM-SCZZXKLOSA-N 293.323 0.098 0 50 CCAA C[C@@](O)(CN)CN1C[C@@H](CN)[C@H](c2ccccc2)C1 952878043 XXUZFUOJGYLBGP-QLFBSQMISA-N 263.385 0.370 0 50 CCAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ncc[nH]1 1875400683 IOHKFRZHPAWDKL-GMTAPVOTSA-N 275.312 0.176 0 50 CCAA CCN(CCN1CCOCC1)C(=O)C[C@@H]1CCCOC1 952992304 ZHJISVDTXMRYQJ-AWEZNQCLSA-N 284.400 0.984 0 50 CCAA Cc1ccccc1[C@@H]1CN(C(=O)[C@H](N)CO)CCO1 888095799 GWWSTPSMJRBBPW-OLZOCXBDSA-N 264.325 0.215 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cnc(C2CC2)[nH]1 888093104 RONWRPDXWJJZQH-IONNQARKSA-N 262.313 0.684 0 50 CCAA CO[C@@H]1CN(Cc2cc(C)nn2C)C[C@H]1c1cn(C)nn1 888078231 BSCYWBQHEKZBIZ-GXTWGEPZSA-N 290.371 0.471 0 50 CCAA C[C@@H]1CC(=O)N[C@H](C(=O)NCc2n[nH]c3c2CCCC3)C1 1775988229 HDQFUWGAYZSMJS-CABZTGNLSA-N 290.367 0.819 0 50 CCAA Cc1ncc(C(=O)N2CCC(F)(F)[C@@H](CO)C2)c(N)n1 1776002436 PTQKXDFEQDJSRB-MRVPVSSYSA-N 286.282 0.457 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)c2cnccc2C)[C@@H](O)C1 991356658 PLNZZPHOQGXDBS-STQMWFEESA-N 277.324 0.102 0 50 CCAA C[C@@H](C(=O)NC(N)=O)N1CCO[C@@H](c2cccs2)C1 246585947 AXIVDMSXLFPBSE-DTWKUNHWSA-N 283.353 0.705 0 50 CCAA Cc1cc(=O)c(C(=O)N2CC[C@H](N)C[C@@H]2C)cn1C 1565512332 PFTMKCWAKTWJCG-QWRGUYRKSA-N 263.341 0.646 0 50 CCAA O=C(c1ccon1)N1CCC[C@H](c2nnc(O)o2)C1 407999788 VUGOQAKTUHTZGQ-ZETCQYMHSA-N 264.241 0.783 0 50 CCAA CN1CC(=O)N(CCc2cn3ccccc3n2)C1=O 170592454 WBMQZYFRVQBIIB-UHFFFAOYSA-N 258.281 0.771 0 50 CCAA COc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(C)C)on1 189036626 FSHBCKRVOZXPOR-VIFPVBQESA-N 281.312 0.670 0 50 CCAA O[C@]1(CN2CCN(c3nccs3)CC2)CCCNC1 72453884 RZGXELLUXFQGKN-CYBMUJFWSA-N 282.413 0.380 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)Nc1cncc(F)c1 644463867 RZSCVKRTPGUDSC-NSHDSACASA-N 281.287 0.533 0 50 CCAA CC[C@@H](C(=O)O)N1CCN(c2nc(C)ns2)CC1 191436889 REMRGBYMVZUMSE-VIFPVBQESA-N 270.358 0.832 0 50 CCAA C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)C1(CO)CC1 585113592 JIMLFOTYLCKEAV-SNVBAGLBSA-N 294.326 0.833 0 50 CCAA Nc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)cc1 650191067 YKLHSJYBGXALMZ-AAVRWANBSA-N 292.360 0.843 0 50 CCAA CC(C)(C)n1nnc(C(=O)N2CCCC[C@@H]2C(=O)O)n1 656473032 GIYASDYFRLSQJZ-MRVPVSSYSA-N 281.316 0.507 0 50 CCAA Cc1cc(C)n(C2CN([C@H](C)CN(C)CCO)C2)n1 1506397299 TYBRMTBJICCLLY-CYBMUJFWSA-N 266.389 0.669 0 50 CCAA C[C@H](C(N)=O)N(c1ccc(Cl)cc1)S(C)(=O)=O 571932 BDMILOXTPNGCFJ-SSDOTTSWSA-N 276.745 0.980 0 50 CCAA Cc1nnc2n1C[C@@H](CNC(=O)c1csc(N)n1)C2 1772707376 RJDYRSPGIBCQNE-SSDOTTSWSA-N 278.341 0.228 0 50 CCAA C1CC(N2CCN(CC[C@H]3COCCO3)CC2)CCO1 1775980304 XXQYQABURVFPAL-HNNXBMFYSA-N 284.400 0.589 0 50 CCAA CCC[C@@H]1NC(=O)[C@H]2CN(CC(C)C)CCN2C1=O 14540124 SAWVRJYPYBKMEH-NWDGAFQWSA-N 267.373 0.454 0 50 CCAA CN(C)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 16652612 VXTNCRPCMDFPOT-UHFFFAOYSA-N 298.364 0.594 0 50 CCAA CC(=O)c1c(C)cn(C[C@H](O)CN2CCNCC2)c1C 19735643 XMPPMSGGOHTOEN-CQSZACIVSA-N 279.384 0.574 0 50 CCAA C[C@@H](O)[C@H](N)C(=O)OB(c1ccccc1)c1ccccc1 169744576 YWSHJDZMGRKKKP-DOMZBBRYSA-N 283.136 0.044 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 285285 HICJRDMJAQSVTD-UHFFFAOYSA-N 274.367 0.466 0 50 CCAA CNC(=O)[C@@H]1CC(=O)N(c2nnc(C(C)C)s2)C1 1857680496 JVSNWNKXWQHURG-SSDOTTSWSA-N 268.342 0.760 0 50 CCAA CCn1cc(CN2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)cn1 1857708688 HKYJYQJYZCOROJ-STQMWFEESA-N 278.356 0.335 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)[C@@H]1Cc2ccccc2O1 225911587 UZBLPGSJXHOFIT-ZDUSSCGKSA-N 292.335 0.465 0 50 CCAA CC(C)C[C@H](CO)NC(=O)c1cn(C2CCOCC2)nn1 355532457 PTVCFOQBYQKEPV-LLVKDONJSA-N 296.371 0.766 0 50 CCAA C[C@H]1CN(Cc2nc(O)n[nH]2)CCN(C2CCC2)C1 575603105 UUTUTEYZJXUMCX-JTQLQIEISA-N 265.361 0.817 0 50 CCAA O=C(O)c1cncc(C(=O)NC[C@H]2CCCO2)c1 259070160 XGGNDVRYZDOCSU-SNVBAGLBSA-N 250.254 0.689 0 50 CCAA COc1ncc(NC(=O)[C@@H]2CCC[C@@H](N)C2)cc1C(N)=O 262264224 HBRIDTBIPNIQJW-RKDXNWHRSA-N 292.339 0.645 0 50 CCAA CC[C@@](O)(Cn1cnc2c(nnn2C)c1=O)C(F)(F)F 905958808 UKWBSNRGQHMVFR-SECBINFHSA-N 291.233 0.228 0 50 CCAA CCc1cnc(N)nc1NCCCC(=O)N(C)C 1772704164 RYHMDWSHYZWEFZ-UHFFFAOYSA-N 251.334 0.902 0 50 CCAA CCc1cnc(N)nc1N1CCN2C(=O)OC[C@H]2C1 1772709143 MMHSMMLPZDYOOZ-SECBINFHSA-N 263.301 0.262 0 50 CCAA C[C@H]1COCCN1C(=O)Nc1cnc2c(c1)CNC2=O 934967005 PCFWCMZXBKILCE-QMMMGPOBSA-N 276.296 0.578 0 50 CCAA Cc1nn2c(NC(=O)[C@H]3CCOC3)csc2nc1=O 1850038152 KXWZUBDDENLUNC-ZETCQYMHSA-N 280.309 0.434 0 50 CCAA Cc1noc(CCC(=O)N2CCC[C@@H](C)[C@@H]2CN)n1 237495984 NDOOCKCAUVHJGN-KOLCDFICSA-N 266.345 0.896 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)C2C[C@@H](C)O[C@H](C)C2)CCO1 260129752 ZPHVIBPNAVPHGL-FOGDFJRCSA-N 285.340 0.590 0 50 CCAA CCCc1nc(CNC(=O)C2=NNC(=O)CC2)cs1 534584398 GUPYYLQKKXJSPP-UHFFFAOYSA-N 280.353 0.978 0 50 CCAA Cc1cc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)cc(O)n1 1073330528 BFHPLYCVAAXLPE-MFKMUULPSA-N 266.297 0.053 0 50 CCAA O=C(NC[C@@H]1CCCN1)c1n[nH]cc1-c1ccncc1 2325796425 PITZVHUNJQDIJG-NSHDSACASA-N 271.324 0.954 0 50 CCAA O=C1C=C(COC(=O)[C@H]2C[C@@H](n3cnnc3)C2)CO1 2325797632 JJTQGIQNQOACLW-AOOOYVTPSA-N 263.253 0.256 0 50 CCAA N[C@H](CCCCNC(=O)c1ccccc1)C(=O)O 1576209 KODLJWKGAKBGOB-LLVKDONJSA-N 250.298 0.999 0 50 CCAA biogenic CN(C)CCCNC(=O)C(=O)NC1CCCCC1 2848041 OGQWZXMUHAAWDI-UHFFFAOYSA-N 255.362 0.503 0 50 CCAA CN1CC[C@H](O)[C@H](C(=O)NCCOCc2ccccc2)C1 2356160176 HALITXIHCYWYKA-CABCVRRESA-N 292.379 0.632 0 50 CCAA C[C@@H](O)C1CCN(c2ncc3c(ncn3C)n2)CC1 2356164614 ZWDLEOWKAKKKMD-SECBINFHSA-N 261.329 0.961 0 50 CCAA COc1nc(C(=O)NCCNc2ncccc2C)nn1C 2356167730 ACTOENHNHDUZMN-UHFFFAOYSA-N 290.327 0.369 0 50 CCAA COCCN1C(=O)[C@H](CC(=O)OC)Oc2ccccc21 55098988 SIYWZPFBBOYLLQ-LBPRGKRZSA-N 279.292 0.990 0 50 CCAA Cn1c(=O)n2n(c1=O)C1[C@@H]3[C@@H]4C2[C@@H]2C4C3(c3ccccc3)[C@H]12 104284618 JHJJFIMWKFHTAP-DKDPZZSSSA-N 293.326 0.518 0 50 CCAA O=C(NCCn1c(S)nnc1C1CC1)C1CC1 134928373 VTKUSVWJFXXCDX-UHFFFAOYSA-N 252.343 0.970 0 50 CCAA CSc1nc(C(=O)N2CCOC[C@H](O)C2)cs1 77485580 JBYKOESSNDMDRF-SSDOTTSWSA-N 274.367 0.698 0 50 CCAA O=C1c2cccnc2CN1CCS(=O)(=O)N1CCCC1 65406061 RPKZGDPJDCDLJM-UHFFFAOYSA-N 295.364 0.463 0 50 CCAA Cn1nc(C(=O)N2CCOC[C@H](CO)C2)c2c1CCCC2 77437057 BEMYCQYDRZCEIU-NSHDSACASA-N 293.367 0.380 0 50 CCAA COCCN1CCCN(C[C@@H](O)CC(F)(F)F)CC1=O 364954349 NVZICFUOZVMFFN-JTQLQIEISA-N 298.305 0.480 0 50 CCAA CC(C)n1ccc(C(=O)N2C[C@H](C)N(CCO)[C@H](C)C2)n1 328598515 MKGMDSUPROSHAP-BETUJISGSA-N 294.399 0.991 0 50 CCAA CCn1c(N)nc2cc(C(=O)NCC3(C)COC3)cnc21 77406210 JDTFOBOMZIUVQB-UHFFFAOYSA-N 289.339 0.800 0 50 CCAA Cc1nc2ncnn2c2ccn(CCN(C)C)c(=O)c12 72117540 USWARUDIJVGFFO-UHFFFAOYSA-N 272.312 0.309 0 50 CCAA Cc1c[nH][nH]c1=NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 377734019 FGKPMWJUVPRTSR-NSHDSACASA-N 299.334 0.522 0 50 CCAA Cn1cccc(NC(=O)N(CCO)C2CC2)c1=O 332099687 AVKZCTJORSGXAC-UHFFFAOYSA-N 251.286 0.374 0 50 CCAA Nc1nc(CNC(=O)c2cccc(-n3cccn3)c2)n[nH]1 77503968 XNZANFLUQVXRMK-UHFFFAOYSA-N 283.295 0.503 0 50 CCAA C[C@@]1(C(=O)N2CCN(Cc3nnc[nH]3)CC2)CCCO1 219311409 VUTQEDJNNOSDGF-ZDUSSCGKSA-N 279.344 0.018 0 50 CCAA CC(=O)N[C@@H]1CCN(C(=O)C2CN(C3CCCCC3)C2)C1 333326766 AHMSIXVUROOLSJ-CQSZACIVSA-N 293.411 0.988 0 50 CCAA CC(=O)N1CCC[C@H](CNC(=O)c2c[nH]cc(C)c2=O)C1 334071638 LOVYTQDKNPGGAT-GFCCVEGCSA-N 291.351 0.672 0 50 CCAA COCCOCC(=O)NCc1ccc(C(=O)N(C)C)cc1 42703732 IEPHPKBUCQAULQ-UHFFFAOYSA-N 294.351 0.668 0 50 CCAA Cn1cnc2cc(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)ccc21 334720587 HGQMAJNRDVRLHA-MRXNPFEDSA-N 298.346 0.926 0 50 CCAA CC(C)N1C[C@H](N2C(=O)N3CCC[C@@]3(C)C2=O)CC1=O 241383511 MVWHZYQXZOKLNK-YGRLFVJLSA-N 279.340 0.812 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cccn2C)[C@@H]2CCO[C@@H]21 220341230 RQWQORCCURFGAN-UKJIMTQDSA-N 264.325 0.805 0 50 CCAA Cn1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)n1 245246044 GOHXWMJBMFXTBN-OINDSLJFSA-N 261.281 0.882 0 50 CCAA CC(=O)NC(C)(C)C(=O)N[C@H](C)c1n[nH]c(C)n1 426496776 CBUYFWKDJSGYPO-ZCFIWIBFSA-N 253.306 0.205 0 50 CCAA CS(=O)(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccn2)C1 85347663 TYARAARFQHFTPN-RKDXNWHRSA-N 270.310 0.141 0 50 CCAA Nc1nnc(SCC(=O)NC[C@@H]2C[C@H](F)CN2)s1 82086595 HSLXJRHBEVWUMN-WDSKDSINSA-N 291.377 0.029 0 50 CCAA CNCc1nnc(S[C@@H](C)C(=O)N2CCCC2)n1C 426594817 KHMWDZRGSBTLPR-VIFPVBQESA-N 283.401 0.638 0 50 CCAA O=C(COCC(F)(F)F)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 616769721 KILAMWXZCLUQJS-QXFUBDJGSA-N 293.245 0.253 0 50 CCAA CCn1ncc(C(=O)N2CCNCC2)c1C(F)(F)F 236978312 IEDLDYJYMOXFQH-UHFFFAOYSA-N 276.262 0.967 0 50 CCAA Cc1cc(=O)c(C(=O)NCCN2CCCC2)cn1C 426502865 ILJIQTWVONUHNL-UHFFFAOYSA-N 263.341 0.519 0 50 CCAA Cc1cnc(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)o1 333792308 DNYBGXUUIIKQJS-PHIMTYICSA-N 265.313 0.576 0 50 CCAA Cc1nccn1CCCC(=O)N1CCN[C@@H](C)C1 237583672 NMLCGEXTTIRFLD-NSHDSACASA-N 250.346 0.792 0 50 CCAA CS(=O)(=O)CCN1CCC[C@](CO)(CC2CC2)C1 91943685 ZQWVGXFUPWATQQ-ZDUSSCGKSA-N 275.414 0.906 0 50 CCAA CC(C)(F)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 236773178 CAUCBCSJZVILQU-NEPJUHHUSA-N 299.390 0.841 0 50 CCAA CC[C@@H](NC(=O)CCn1cccn1)[C@H]1C[C@H](O)C1 244574746 CQQNAYVBRWVJNK-IJLUTSLNSA-N 251.330 0.939 0 50 CCAA CCc1cc(C(=O)N[C@H](CO)c2ccnn2C)c(C)nn1 622694229 GLAHPSBZMRRTDW-GFCCVEGCSA-N 289.339 0.544 0 50 CCAA CCN1CCN(CC(=O)NCC2(CO)CCCC2)CC1 354185581 DEFRUTVWSXSVIW-UHFFFAOYSA-N 283.416 0.293 0 50 CCAA O=C(Cn1cccn1)NCC1(Cn2cccn2)CC1 534668916 MNQVTWZCKFVHFC-UHFFFAOYSA-N 259.313 0.676 0 50 CCAA CSc1ccc(S(=O)(=O)N2C[C@@H](N)[C@H](O)C2)cc1 534647873 MCLKHHXDRLNRHD-GHMZBOCLSA-N 288.394 0.101 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)c1cncn1C 534675348 UFOKMWJBRXUVSB-VIFPVBQESA-N 262.317 0.913 0 50 CCAA CCOC(=O)N1CCN(C(=O)Nc2cn(C)nn2)CC1 299766765 HDGTWHARBOAOCW-UHFFFAOYSA-N 282.304 0.121 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCC[C@](C)(O)C2)cn1C 584890562 YTJHVVCJNXLAKH-AWEZNQCLSA-N 264.325 0.681 0 50 CCAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)CCn1cnnn1 584895232 UVDZDMALOJLXHM-QMMMGPOBSA-N 277.332 0.291 0 50 CCAA COc1nccnc1N[C@@H]1CCCN(C(C)=O)C1 584891661 LVUDZACWHXAEOD-SNVBAGLBSA-N 250.302 0.908 0 50 CCAA NC(=O)C1(NC(=O)Cn2ccc(=O)cc2)CCCCCC1 584897714 XMGTUOREXRUVBT-UHFFFAOYSA-N 291.351 0.543 0 50 CCAA C[C@H](O)[C@H](O)CNC(=O)c1ccc(Cn2cccn2)cc1 871125588 OSJFDLZVGAMQDR-SMDDNHRTSA-N 289.335 0.403 0 50 CCAA O=C(c1cc(O)cc(=O)o1)N1CC[C@@H](c2ncc[nH]2)C1 1875270972 HGWVNUVUHYFLBI-MRVPVSSYSA-N 275.264 0.698 0 50 CCAA C[C@@H](c1ncccn1)N1CCN(CCS(C)(=O)=O)CC1 1875271352 TYBSFVQEKUEYGZ-LBPRGKRZSA-N 298.412 0.200 0 50 CCAA CO[C@H]1CCC[C@@H]1S(=O)(=O)NCc1cc(C)no1 1875362738 QRTCUDAVVNMSEC-QWRGUYRKSA-N 274.342 0.970 0 50 CCAA C=CC(=O)N[C@H]1CCC[C@H]1N1CCCN(C)CC1 1875365969 CFZOKGCEKLNUPL-QWHCGFSZSA-N 251.374 0.847 0 50 CCAA CC(C)(O)c1n[nH]c(CNC(=O)N2CCCC23CC3)n1 1875301643 OBAUOYXRSQKVKG-UHFFFAOYSA-N 279.344 0.870 0 50 CCAA COc1nccc(C(=O)N[C@]23CCC[C@H]2CNC3)n1 1341675816 OJBVVCMWLKROTJ-ZANVPECISA-N 262.313 0.357 0 50 CCAA O=C(N[C@@H]1CCNC[C@H]1O)c1cc(F)cc(Cl)c1 77356138 WYOZDBYBUKCDJT-GHMZBOCLSA-N 272.707 0.932 0 50 CCAA O=C(Nc1c[nH]nc1C(=O)O)c1ccc2nc(O)[nH]c2c1 1594798978 LGYZEMZVXKJHGU-UHFFFAOYSA-N 287.235 0.942 0 50 CCAA COc1ccc(C(=O)NC2(c3nnc[nH]3)CCC2)nn1 276470571 CUBWUXIQFBGNLZ-UHFFFAOYSA-N 274.284 0.413 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cc(COC)on1 643765922 RLBOHHASYXHOJN-AWEZNQCLSA-N 297.355 0.548 0 50 CCAA C[C@]1(C(=O)O)CCCN1C(=O)c1nc[nH]c2nccc1-2 659151411 AEXWBYVZIISSGZ-CYBMUJFWSA-N 274.280 0.989 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@@H]1CCN(C(C)(C)C)C1=O 911491018 JARNTTYWAWLBKN-LLVKDONJSA-N 295.383 0.537 0 50 CCAA C[C@@H](C(=O)N(C)C)N(C)CCn1cc(Cl)cn1 1506403042 PZQZOHOOBIGAPB-VIFPVBQESA-N 258.753 0.945 0 50 CCAA CN1CC2(C1)CN(C(=O)CNC(=O)c1ccccc1)C2 1857680754 UNLRAEPCOOKTHR-UHFFFAOYSA-N 273.336 0.190 0 50 CCAA Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C1(C)CC1 408223998 GFSBJLXUFIGFMD-SECBINFHSA-N 270.358 0.893 0 50 CCAA C[C@H](N)CCNS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 221145808 OENODABRCVVISC-MXWKQRLJSA-N 263.407 0.536 0 50 CCAA CCC(C)(C)OC1CN(C(=O)C2(C(N)=O)CC2)C1 529808575 AQRCDODSRNIZQI-UHFFFAOYSA-N 254.330 0.668 0 50 CCAA C[C@@H](NC(=O)CN1CCOCC1)c1cncc(F)c1 330810933 LQSXCGOENMBPDP-SNVBAGLBSA-N 267.304 0.730 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)C[C@@H]1CCCCO1 128225566 IXDKYHUTLHPAFH-QWRGUYRKSA-N 271.313 0.648 0 50 CCAA Cc1nc(=NC[C@@H]2CC3(CCNCC3)CO2)n(C)[nH]1 1704298669 BENACIRBVGXQCX-NSHDSACASA-N 265.361 0.116 0 50 CCAA Cc1cc(CC(=O)N2CCC([C@@H](O)CO)CC2)on1 1772706068 GPKPKWFLXKMLLM-LBPRGKRZSA-N 268.313 0.117 0 50 CCAA OCCN1CCN(C(=S)c2ccccc2O)CC1 19842593 VTIDYFTUUSBLBA-UHFFFAOYSA-N 266.366 0.678 0 50 CCAA CC(C)Nc1nc(N)nc(Oc2ccc(O)nn2)n1 3855445 ZKGGPHSDEPIKTG-UHFFFAOYSA-N 263.261 0.562 0 50 CCAA O[C@]1(Cn2ccnn2)CCN(c2ncccc2F)C1 671466299 JZDWQCGFVBEVMD-GFCCVEGCSA-N 263.276 0.454 0 50 CCAA O=C(NCCNC(=O)C1(C(=O)O)CC1)c1ccccc1 154774249 GEFWZTSBBBHSEP-UHFFFAOYSA-N 276.292 0.397 0 50 CCAA COc1ncnc(OC)c1C(=O)N1CC[C@@H](C(=O)O)C1 261861670 PTQNTXQOJMNVFR-SSDOTTSWSA-N 281.268 0.041 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)NCc1cc[nH]n1 1646726752 AIQRDBXCKOTPBS-HNNXBMFYSA-N 286.335 0.835 0 50 CCAA Cn1nnn(C[C@H]2CC3(CCCCC3)CO2)c1=O 1652110221 YAENTXUKVAUZJM-SNVBAGLBSA-N 252.318 0.716 0 50 CCAA COCCn1nnnc1NC(=O)c1cc(C)n(C)c1C 906301065 RPFDIWHGLXHUHV-UHFFFAOYSA-N 278.316 0.527 0 50 CCAA CN(Cc1ccccc1)C[C@H](O)CN1CCC[C@@H](O)C1 229317194 IRFGNEMDWWWVJJ-CVEARBPZSA-N 278.396 0.936 0 50 CCAA C[C@@H](C(=O)O)N1CCCC[C@@H]1CN1CCOCC1 237470429 JOLKMRRBKHWKAZ-NWDGAFQWSA-N 256.346 0.646 0 50 CCAA C[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@H](C)N1 154188344 XRJZHZPTQSKQTF-RYUDHWBXSA-N 263.341 0.447 0 50 CCAA CC(C)C[C@H](CN)NC(=O)c1cccn(C)c1=O 262595266 HSZPKNLAQLNTED-SNVBAGLBSA-N 251.330 0.489 0 50 CCAA C[C@H]1CN(C[C@@H](O)c2ccccc2)C[C@H](CO)O1 313566531 WLOFNQGLIRLDRB-IACUBPJLSA-N 251.326 0.802 0 50 CCAA CN=c1[nH]c(C(=O)N[C@H]2CN3CCC2CC3)cs1 384813892 CUIGRZXSLQVKCG-VIFPVBQESA-N 266.370 0.431 0 50 CCAA CCOC[C@@H](O)CNC(=O)c1cc(C)nc(C)n1 823315648 XXLZFVZMXNKYOQ-JTQLQIEISA-N 253.302 0.221 0 50 CCAA Cn1ncc2c(=N)[nH]c(-c3ccc(CCN)cc3)nc21 2100534013 PLWXIHHIFIUUOA-UHFFFAOYSA-N 268.324 0.944 0 50 CCAA Cn1cnc2nc(=NCCNC(=O)c3ccncc3)[nH]cc21 2100539459 JJXAIGQWMSHDHD-UHFFFAOYSA-N 297.322 0.022 0 50 CCAA CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(F)cc1C 36265271 IINGSQOQMGFWKJ-QWRGUYRKSA-N 288.344 0.399 0 50 CCAA NC(=O)CC[C@H]1NC(=S)N(Cc2ccccc2)C1=O 52414 BRAAMVXSGCJHCD-SNVBAGLBSA-N 277.349 0.537 0 50 CCAA CN1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O 4041614 CIWAQKMRYNKWFA-ZDUSSCGKSA-N 269.304 0.893 0 50 CCAA biogenic COC(=O)[C@@H]1C(=O)N(C)[C@@H](c2ccccc2)[C@H]1C(=O)OC 4363330 XNRUNYQJCBBOGJ-SRVKXCTJSA-N 291.303 0.778 0 50 CCAA NCCCn1cc(C(=O)Nc2cnc3n2CCCC3)nn1 67946241 DZTHOAQWGAYFJS-UHFFFAOYSA-N 289.343 0.412 0 50 CCAA CNC[C@H](O)CN(C)C[C@@H](O)COc1ccc(C)cc1C 22205840 FSDQDNNSFMEJJO-LSDHHAIUSA-N 296.411 0.555 0 50 CCAA CN(C[C@@H]1CCCCN1C)C(=O)c1ccc[n+]([O-])c1 20997534 HLLRMMQIGFBCIN-ZDUSSCGKSA-N 263.341 0.876 0 50 CCAA COc1ccccc1-c1n[nH]c(=O)n1[C@H](C)C(=O)O 65372275 OMBVFJYYPQQKSE-SSDOTTSWSA-N 263.253 0.893 0 50 CCAA CNC(=O)[C@@H]1CCCC[C@@H]1NC[C@@H](O)C(F)(F)F 230186866 JPJXXHPIWOTLFD-HRDYMLBCSA-N 268.279 0.804 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1 331483788 XPOOJTVGXPUIHL-XDQVBPFNSA-N 284.400 0.715 0 50 CCAA COCCNC(=O)c1cc(N2CCCN(C)CC2)ccn1 71775840 QWNVFQHXIBUGKO-UHFFFAOYSA-N 292.383 0.600 0 50 CCAA C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@H]2[C@H](C1)C2(F)F 253426235 YWCGZMTYPYCUCL-JEZHCXPESA-N 287.310 0.950 0 50 CCAA C[C@H](CN1CCc2ccccc2C1)NC(=O)c1cnn[nH]1 72122451 QQSVDWBFPQXCSM-LLVKDONJSA-N 285.351 0.981 0 50 CCAA C[C@@H](NC(CO)CO)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 216452404 IMCYMTYKOSTJRP-GRBUOMEOSA-N 269.385 0.649 0 50 CCAA CO[C@@H](C)c1nsc(N2CCCNC(=O)[C@@H]2C)n1 374583473 ICXPZNHKFBVLTO-YUMQZZPRSA-N 270.358 0.960 0 50 CCAA O=C(NCc1cc(=O)[nH]cn1)c1cccc2ccnn12 72146103 BTNZNOTUHNYYKJ-UHFFFAOYSA-N 269.264 0.348 0 50 CCAA Cc1nc(CCNC(=O)C[C@H]2COCCN2)sc1C 72135275 XFVASJIGDCALBE-NSHDSACASA-N 283.397 0.797 0 50 CCAA CC[C@H](C)[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(N)=O 43760834 GBVAMMGFBVZXEA-CYZMBNFOSA-N 277.368 0.573 0 50 CCAA CC[C@@H](NC(=O)CNC(N)=O)c1cccc(C)n1 220122771 RYCUMBPIYAQWLK-SECBINFHSA-N 250.302 0.626 0 50 CCAA O=C(O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@]23CCOC3)C1 263571576 JOYCXYCCQPVQLI-YWPYICTPSA-N 297.351 0.895 0 50 CCAA COCc1cc(CNC(=O)c2cnc(SC)nc2)n[nH]1 223294119 QILHLHOHKKCNRU-UHFFFAOYSA-N 293.352 0.998 0 50 CCAA Cc1cc(NC(=O)NC[C@@H]2COCCO2)n(C)n1 48870974 SWFPICGMCMIVMO-SECBINFHSA-N 254.290 0.265 0 50 CCAA Cc1nc(CN2CCO[C@H](CCN)C2)n(C)c1C 426674157 IFHGXVZWNBRFAS-GFCCVEGCSA-N 252.362 0.587 0 50 CCAA Cc1cc(N2C[C@@H](C)[C@@](C)(O)C2)nc(N2CCOCC2)n1 91690303 JMJVJSQEXPUIFU-ABAIWWIYSA-N 292.383 0.829 0 50 CCAA Cc1ccc([C@@H](C(=O)NCCS(C)(=O)=O)N(C)C)cc1 91304956 SYRLRSNOBKSCLL-ZDUSSCGKSA-N 298.408 0.759 0 50 CCAA Cc1nc(C)n(CCNC(=O)[C@@H]2CCCCCN2C)n1 95376217 PQHSQOUUCBPZCZ-ZDUSSCGKSA-N 279.388 0.886 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)N1CCC(C(=O)O)CC1 299747033 BXVMWQUYVBMMSL-JTQLQIEISA-N 286.353 0.231 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2ccc(CN)cc2)CC1=O 299751675 RGKOUXMAGQEWIO-SWHYSGLUSA-N 287.363 0.884 0 50 CCAA Cc1ccn(CCNc2cc([C@H]3C[C@H](N)C3)nc(N)n2)n1 252537361 KZGLBTYCLMOMAT-XYPYZODXSA-N 287.371 0.881 0 50 CCAA CN(C)C(=O)c1ccc(N(C)CCc2cnn(C)c2)nn1 1857673195 LCFQRJAKQGCCGO-UHFFFAOYSA-N 288.355 0.591 0 50 CCAA CCn1nccc1S(=O)(=O)N1CCC[C@@H](N)C1 262770189 MBJKFAYGNZRTJY-SECBINFHSA-N 258.347 0.015 0 50 CCAA CC(C)C[C@H](CNC(=O)c1cc(O)n(C)n1)CC(=O)O 585135122 YJWOKXDONOLVIW-VIFPVBQESA-N 283.328 0.993 0 50 CCAA NCCC(=O)NC[C@@H]1CCCCN1C[C@@H](O)C(F)(F)F 864097545 YZIUDWHFAKAFCW-VHSXEESVSA-N 297.321 0.229 0 50 CCAA Cc1cc2n(n1)CCN(Cc1c[nH]nc1C(=O)O)C2 670440218 LEDGHQKZACWSEV-UHFFFAOYSA-N 261.285 0.629 0 50 CCAA O=C(NCc1ccnc(N2CCOCC2)c1)NC1COC1 1875291307 UYKUNGBEYCEICP-UHFFFAOYSA-N 292.339 0.116 0 50 CCAA C[C@@H]1CN(c2cc3c(O)ncnc3cn2)C[C@H](CO)O1 1875395246 SRUBQXGGDGUMSS-RKDXNWHRSA-N 276.296 0.316 0 50 CCAA c1ncc(Cn2cc([C@H]3CCNC34CC4)nn2)cn1 1875313423 NSXJDGBAQREFCH-LLVKDONJSA-N 256.313 0.726 0 50 CCAA C[C@@H]1CCO[C@@H]1CCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 1875342888 LTEJCKZYSFQKQX-HKLHZYFVSA-N 279.336 0.964 0 50 CCAA Cn1ncc(S(=O)(=O)N[C@H]2CCc3cc(F)ccc32)n1 952881447 RKYAROUXDLAIBB-NSHDSACASA-N 296.327 0.920 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)c2cccc(-n3cnnn3)c2)C1 269133021 CDFVKNNKLOHLQE-SNVBAGLBSA-N 287.279 0.209 0 50 CCAA Cc1csc(C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)c1 889642557 TUNRNXAPDRVUNC-ZDUSSCGKSA-N 292.364 0.927 0 50 CCAA Cc1ccc(Cn2cc(CCS(=O)(=O)N(C)C)nn2)o1 899704863 UKLBUFKVBMBUKU-UHFFFAOYSA-N 298.368 0.662 0 50 CCAA O=C(CSc1n[nH]c(=O)[nH]1)NC1CCCCC1 274860774 AIZACGYTGZEXSL-UHFFFAOYSA-N 256.331 0.639 0 50 CCAA CO[C@H]1CN(C(=O)Cc2cnn3c2CCCC3)CCO1 632688017 ALASVHNSWOBXPB-CQSZACIVSA-N 279.340 0.593 0 50 CCAA C[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1C(=O)N1CCOCC1 408473902 QRFNDKHZHFFXTP-VXGBXAGGSA-N 278.356 0.336 0 50 CCAA CCS(=O)(=O)NC(=O)[C@H]1CCN(CC(F)(F)F)C1 408483940 MZOXAQZBYTVWBG-ZETCQYMHSA-N 288.291 0.337 0 50 CCAA CC(=O)Nc1cccc(B(O)OC(C)(C)C(C)(C)O)c1 169980358 JDRNAGGBDHXGJA-UHFFFAOYSA-N 279.145 0.899 0 50 CCAA Cc1cc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)nn1C 170599677 YCNCFUUUQNGFPE-JTQLQIEISA-N 279.344 0.848 0 50 CCAA NC(=O)N1CCCN(C(=O)c2cc(C3CC3)on2)CC1 171495668 ASCBHQWFNZVSCR-UHFFFAOYSA-N 278.312 0.779 0 50 CCAA O[C@H]1CCN([C@H]2CCC[C@H]2NCc2nnnn2C2CC2)C1 643964078 ZRDPYPJXLWUBLL-XQQFMLRXSA-N 292.387 0.085 0 50 CCAA O=C(O)Cc1ccc(CN2CCOC[C@H](O)C2)cc1 77436432 GPZQSEBILHMAFJ-CYBMUJFWSA-N 265.309 0.507 0 50 CCAA COc1c(C)ncnc1N1CCC(S(C)(=O)=O)CC1 656146915 UXXJXMAVLFKHHE-UHFFFAOYSA-N 285.369 0.807 0 50 CCAA C[C@]1(C(=O)Nc2ccn(CC(=O)O)n2)CC1(F)F 656247976 YKKQPJFFTDXGGY-SECBINFHSA-N 259.212 0.952 0 50 CCAA CC(C)N1CCN(c2ncnc3n[nH]cc23)CC1=O 575349432 YHPSWMXPIQFAGB-UHFFFAOYSA-N 260.301 0.410 0 50 CCAA CCOCCC(=O)N(C)C[C@H]1CC(=O)N(CC)C1 1506395717 LLRNJSZBQIBASH-LLVKDONJSA-N 256.346 0.740 0 50 CCAA CCCN1C(=O)N[C@@H](CC(=O)N(C)CC(C)(C)CO)C1=O 1506430127 WLWFPNZOZFWBJQ-JTQLQIEISA-N 299.371 0.184 0 50 CCAA O=C(O)c1nccnc1NCCCN1CCC[C@@H](O)C1 1506430624 XWKWVUXSHXDCTP-SNVBAGLBSA-N 280.328 0.434 0 50 CCAA CCc1ccnc(NC(=O)c2cn(C)c(=O)nc2O)c1 1875250399 VMYJABVVXNOVJX-UHFFFAOYSA-N 274.280 0.696 0 50 CCAA C[C@H]1C[C@H]1S(=O)(=O)NC(=O)C1SCCS1 1875285183 FYPHGMJOOWPCFY-NTSWFWBYSA-N 267.397 0.647 0 50 CCAA CN(Cc1ccccc1)S(=O)(=O)N1C[C@H](O)[C@@H](F)C1 1616101665 UEVDDYABVIVPEN-RYUDHWBXSA-N 288.344 0.378 0 50 CCAA CCN(CC)C[C@H](C)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772804934 GZJHZCWCPUWIIC-YNEHKIRRSA-N 256.390 0.249 0 50 CCAA Cc1nc(N)nc(N2CC[C@]3(CNC(=O)CO3)C2)c1Cl 1772818864 MFJNMHYTDVFPCY-LBPRGKRZSA-N 297.746 0.116 0 50 CCAA CCNC(=O)C(=O)NCc1ccc2c(c1)OCO2 2991645 BBTNACDCSMHZRD-UHFFFAOYSA-N 250.254 0.168 0 50 CCAA COCCN1C(=O)C[C@@H](Nc2ccc(N(C)C)cc2)C1=O 4317728 JHZPTZRWIWTLMZ-CYBMUJFWSA-N 291.351 0.938 0 50 CCAA Cc1nc2ccc(NCC(=O)NCC(F)(F)F)nn2n1 225539243 YXCAIFXVTWGVFD-UHFFFAOYSA-N 288.233 0.523 0 50 CCAA CN1CCN(C(=O)Cc2cccnc2)C[C@@H]1c1ncc[nH]1 328618746 DZZQVMQJKRNLCM-CYBMUJFWSA-N 285.351 0.863 0 50 CCAA O=C(CCc1nn[nH]n1)N1CCC[C@H]1CN1CCCCC1 630912580 VNTMECRQIVHMLE-LBPRGKRZSA-N 292.387 0.609 0 50 CCAA CC(=O)N1CC(NC(=O)[C@@]2(O)CCc3ccccc3C2)C1 375077756 ASMIRIQLNAOOET-MRXNPFEDSA-N 288.347 0.253 0 50 CCAA COC[C@H]1CN(C(=O)c2cncnc2N)CC(C)(C)O1 583617399 GPJZRBNBDXCDOP-SECBINFHSA-N 280.328 0.325 0 50 CCAA CC(C)N1C[C@@H](NC(=O)c2ncccc2O)CC1=O 265834513 VQPPMBOUEMKINK-VIFPVBQESA-N 263.297 0.526 0 50 CCAA Cc1cc(CC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)no1 267310390 MNUXRRJBNVPMMP-QWRGUYRKSA-N 265.313 0.686 0 50 CCAA COC/C(C)=C/Cn1c(-c2cnccn2)noc1=O 901481625 MWXXAFLHJFLZGO-YCRREMRBSA-N 262.269 0.886 0 50 CCAA CNS(=O)(=O)[C@@H]1CCN(Cc2c(F)cncc2F)C1 930068812 FWIUHVBVZXRCSF-MRVPVSSYSA-N 291.323 0.483 0 50 CCAA CCCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225643919 QQGWDZUOHHCMMG-DBIOUOCHSA-N 253.298 0.947 0 50 CCAA Cn1ccnc1SCCN1C[C@H](C(=O)O)CC1=O 65461870 ICKFFDXITLTCBA-MRVPVSSYSA-N 269.326 0.445 0 50 CCAA CC(=O)NCC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 407961347 DJRBBBWUQGDNBE-XQQFMLRXSA-N 268.357 0.665 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C(F)(F)F 577636715 FXUNMSZTZGNGJG-HTQZYQBOSA-N 291.229 0.674 0 50 CCAA Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1 260642 YSDGFRLFJHKCDN-UHFFFAOYSA-N 299.377 0.899 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1CCNCC1 2527604 ACLWTUJHNVQTSW-SECBINFHSA-N 258.318 0.964 0 50 CCAA Cc1nc(CC(=O)NC[C@H](O)c2cccc(O)n2)cs1 2356145235 HIJJDWIYQXDXTJ-NSHDSACASA-N 293.348 0.944 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)N2CCc3c(O)cccc3C2)C1 2356145381 NHYAMSZUKXWPDV-UKRRQHHQSA-N 290.363 0.590 0 50 CCAA Cc1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1C 4158579 LDUDTPLDFANQSX-VXGBXAGGSA-N 255.339 0.873 0 50 CCAA Cc1nc(CCNC(=O)c2cc(=O)[nH]c(=O)[nH]2)sc1C 67833450 AJDAXIOFZAVWBC-UHFFFAOYSA-N 294.336 0.109 0 50 CCAA Cc1nnc(NC(=O)CCNC(=O)C(C)C)s1 65362786 XQOCUIKROQYJFX-UHFFFAOYSA-N 256.331 0.947 0 50 CCAA NC(=O)CN1CCC(n2nccc2NC(=O)C2CC2)CC1 67515178 NHUZMXMJODJLOZ-UHFFFAOYSA-N 291.355 0.354 0 50 CCAA COc1cc(CN(CCO)CCO)cc2c1OCO2 23282795 YQHVYKVHQQAAGW-UHFFFAOYSA-N 269.297 0.211 0 50 CCAA CC(C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 36923542 PXKOFPLDGBXGCG-UHFFFAOYSA-N 278.355 0.021 0 50 CCAA CC(=O)[C@@H]1C[C@H](C(=O)NCc2nnc(S)n2C)C1(C)C 152898069 WGDICKCHFXBUOX-DTWKUNHWSA-N 296.396 0.971 0 50 CCAA N=C(O)[C@H](CO)NC(=O)[C@H]1CCCN(CC(F)(F)F)C1 330601233 GHTTVQLPTVIKRT-YUMQZZPRSA-N 297.277 0.273 0 50 CCAA O=S(=O)(CC[C@H]1CCCCN1)N1CCOCC1 37661956 HWJUXMQHRHYBAV-LLVKDONJSA-N 262.375 0.181 0 50 CCAA O=C(NCCN1CCNCC1)N[C@H]1CC=CCC1 333371717 MNMSZCGWRVQXMZ-LBPRGKRZSA-N 252.362 0.300 0 50 CCAA COCCN(CC(=O)O)C(=O)Cn1ncc2ccccc21 237277271 ZLDVYYRFMOXBRA-UHFFFAOYSA-N 291.307 0.596 0 50 CCAA Nc1nnc(CNC(=O)c2ccc3[nH]nnc3c2)s1 223606894 ADQVTRYVUQHKMJ-UHFFFAOYSA-N 275.297 0.322 0 50 CCAA CC1CCN(C[C@H](O)CN2CCC[C@H]2C(=O)O)CC1 242273453 YCVNSXLVDVZROU-STQMWFEESA-N 270.373 0.628 0 50 CCAA CCOCCn1nc(C)cc1C(=O)N[C@@H]1CCOC[C@H]1O 222624250 MBWYEPSCUPULJF-DGCLKSJQSA-N 297.355 0.108 0 50 CCAA Cc1cc(=O)cc(C(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)n1C 223795033 VJEZVNFCZDFDML-WZRBSPASSA-N 262.309 0.601 0 50 CCAA C[C@@H](CCC(=O)NCCCc1nn[nH]n1)N1CCCC1 426526772 CJXVIMLWRBLBJC-NSHDSACASA-N 280.376 0.513 0 50 CCAA CCN1C[C@H](C(=O)NCc2ncc3c(n2)CCC3)CC1=O 95375317 LFNMIKXKNROUCM-LLVKDONJSA-N 288.351 0.450 0 50 CCAA OCCN1CCN(c2nccc(-c3ccccn3)n2)CC1 96166933 CBBKFJCONNEBJQ-UHFFFAOYSA-N 285.351 0.653 0 50 CCAA Cc1cccc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3O)n1 91519006 WPUVKFAIFMZICQ-BETUJISGSA-N 276.336 0.738 0 50 CCAA OC[C@H]1CN(Cc2ccoc2)C[C@H]1CN1CCC(O)CC1 95361955 XPJYILLOGQVXLT-HUUCEWRRSA-N 294.395 0.777 0 50 CCAA C[C@@H](CNS(=O)(=O)c1cccnc1)N1CCOCC1 299037800 RHQVDWSETZQNIQ-NSHDSACASA-N 285.369 0.081 0 50 CCAA Cc1cnc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)cn1 299751035 PGGPIIXAJNYJHZ-NSHDSACASA-N 293.323 0.881 0 50 CCAA CC[C@@](C)(CC(=O)O)NC(=O)[C@@H]1CSCN1C(C)=O 299748790 IEFPKEHJXRCGBB-CABZTGNLSA-N 288.369 0.667 0 50 CCAA C[C@H](NC(=O)C(C)(C)N1CCOCC1)c1nncn1C 351632393 REYVIRMVSIDUAN-JTQLQIEISA-N 281.360 0.103 0 50 CCAA CCNC(=O)c1ccc2c(c1)CN(CCOC)C(=O)CO2 263615365 CAFFAEWMICMOIX-UHFFFAOYSA-N 292.335 0.804 0 50 CCAA CC[C@H](NS(=O)(=O)C1CC1)c1ncnn1CC 534590157 YNQJYGNHOZUXRK-VIFPVBQESA-N 258.347 0.831 0 50 CCAA Cc1nnc(CN2CCC[C@@H](c3nnc(CO)n3C)C2)o1 299792375 FNQDYJPWPACHFQ-SNVBAGLBSA-N 292.343 0.378 0 50 CCAA CC(C)n1cnnc1CCN[C@H](C)CN1CCN(C)CC1 823789487 WKCJNPUQUZRBGO-CQSZACIVSA-N 294.447 0.627 0 50 CCAA COc1ccccc1[C@H]1CC(=O)Nc2nc(=N)[nH]c(N)c21 585655816 VBTLURXOCSKHEG-MRVPVSSYSA-N 285.307 0.954 0 50 CCAA CN1CCN(CC(=O)NCC2CCCCC2)C[C@@H]1CO 585136514 IWYFSLNRMYXXKE-CQSZACIVSA-N 283.416 0.291 0 50 CCAA Fc1ccc(Cn2nnnc2N2CCOCC2)cc1 685945013 ODJZSKPCYGVHPH-UHFFFAOYSA-N 263.276 0.697 0 50 CCAA O=C([C@@H]1CCCS1)N1CCC[C@@H](Cc2nn[nH]n2)C1 952882538 SDJWEYFVSVYZMU-UWVGGRQHSA-N 281.385 0.876 0 50 CCAA C=CC(=O)N1C[C@H](C)C[C@@H](c2nnc(O)n2C)C1 1875370385 MYLFPIXTHKSTPL-RKDXNWHRSA-N 250.302 0.659 0 50 CCAA Oc1n[nH]c(CNCc2cnc(N3CCCCC3)nc2)n1 952979976 SVPXUWVLQIITSS-UHFFFAOYSA-N 289.343 0.580 0 50 CCAA O=C(N[C@H](CO)c1ccccc1)[C@@]1(F)CCNC1 888096300 SJFJLRSWCWAOIN-DGCLKSJQSA-N 252.289 0.538 0 50 CCAA CS(=O)(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1 166566122 JCIMFQZANHTJIY-LBPRGKRZSA-N 283.349 0.920 0 50 CCAA CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCOC1)C1CCCC1 109721464 KHIMCNDELRRMII-CHWSQXEVSA-N 268.357 0.929 0 50 CCAA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1ccon1 276564450 GOKDFDOYPPIWFD-JOYOIKCWSA-N 276.296 0.916 0 50 CCAA C[C@@H]1C[C@@H]1C(=O)OCCCn1cnc2c(N)ncnc21 170598930 XDJFBRLYEWATRQ-BDAKNGLRSA-N 275.312 0.998 0 50 CCAA O=C(N[C@H]1CCCOC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 171685138 ZLZACIDGLQSNSL-BDAKNGLRSA-N 294.273 0.692 0 50 CCAA Cc1ccnc(CN2CCO[C@H](Cn3ccnn3)C2)c1 639855746 PXFORRWCDABUME-AWEZNQCLSA-N 273.340 0.883 0 50 CCAA O=C(N[C@@]1(C(=O)O)CCc2ccccc21)[C@@H]1COCCO1 675990889 LQGSIJZTYWZJTD-WFASDCNBSA-N 291.303 0.444 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccncc3)C[C@H]2O)n[nH]1 1529094679 JHPCIHVVBRNYCA-TZMCWYRMSA-N 286.335 0.789 0 50 CCAA CN(C)CCc1nnc(NC(=O)[C@@H]2CCCN2)s1 1529173689 OFEOTKRTAZZYOM-QMMMGPOBSA-N 269.374 0.333 0 50 CCAA O=C(CCCc1cn[nH]c1)N(CCO)Cc1ncc[nH]1 1704333617 BNUCCYYKZUWTSN-UHFFFAOYSA-N 277.328 0.477 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)CCN1CCCCCC1=O 1565506401 QHQKLQOUUKBBTN-STQMWFEESA-N 298.383 0.699 0 50 CCAA O=C([C@H]1CCOC1)N1CCCN(c2cnccn2)CC1 1772811411 UYJSOGCHYPLWCR-LBPRGKRZSA-N 276.340 0.552 0 50 CCAA Cc1nc[nH]c1CC(=O)N1C[C@H]2CCN(C)C(=O)[C@H]2C1 1775983195 ZEQKJYLIOYAHDG-MNOVXSKESA-N 276.340 0.197 0 50 CCAA CC(C)(CNC(=O)[C@@H]1CCCO1)CNC(=O)[C@H]1CCCO1 16225832 ULYMEAMYCCCEAM-TXEJJXNPSA-N 298.383 0.603 0 50 CCAA O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1CCCC1 169773467 FDVDLXPYZBIQHG-UHFFFAOYSA-N 295.339 0.146 0 50 CCAA CC(=O)N(C(C)=O)c1ccc(S(N)(=O)=O)cc1 200116004 MEAHRDDSCJGHKH-UHFFFAOYSA-N 256.283 0.233 0 50 CCAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccco1)C2 247559944 YLGBIXWSBPAKSU-MNOVXSKESA-N 298.364 0.776 0 50 CCAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(Cc1ccoc1)C2 1704325984 QLYLTQCCEGXDRC-STQMWFEESA-N 280.324 0.497 0 50 CCAA COc1ccnc(N2CCC([C@H](O)CO)CC2)n1 1772817643 SSORTCDLWZCVEV-SNVBAGLBSA-N 253.302 0.055 0 50 CCAA O=C(NCc1ccccc1)N1CCN(CCO)CC1 20653674 FQFDKBAIDHOSEC-UHFFFAOYSA-N 263.341 0.506 0 50 CCAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1ccnn1 252718075 CZBFIBRXYQUSNI-MXWKQRLJSA-N 278.312 0.522 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@H]1CCC[C@H](N)C1 237135480 TULLAPYRDNQTST-RYUDHWBXSA-N 267.373 0.585 0 50 CCAA CSCCN1CCN(C(=O)c2cncc(O)c2)CC1 584896594 ZUEWZKMREKESCY-UHFFFAOYSA-N 281.381 0.908 0 50 CCAA Cn1nc(C(=O)O)cc1C(=O)Nc1cnn2cccnc12 2325818800 ZZOQBDFKUQRNML-UHFFFAOYSA-N 286.251 0.413 0 50 CCAA CCC1(CC)CNC(=O)[C@H]1NC(=O)Cc1ccn(C)n1 886726718 SCUDEYLYBRTGER-GFCCVEGCSA-N 278.356 0.384 0 50 CCAA Cc1cc(N)nc(CNc2ccc(S(N)(=O)=O)cc2)n1 615134 GMNQXUGWKXXNRB-UHFFFAOYSA-N 293.352 0.627 0 50 CCAA COc1cc(N)ccc1OCC(=O)N1CCOCC1 4710191 QNOFNIROANASJX-UHFFFAOYSA-N 266.297 0.515 0 50 CCAA O=C(CN1CSCC1=O)Nc1ccc2c(c1)OCO2 7597947 DNQLOFZCHYAVSL-UHFFFAOYSA-N 280.305 0.887 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)COCC1CC1 344838476 GYYMSTYLHUOFGB-NWDGAFQWSA-N 257.330 0.675 0 50 CCAA CC[C@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)O 227864313 GTWPSYVZPABGOO-LURJTMIESA-N 281.721 0.215 0 50 CCAA O=S(=O)(N[C@H]1COc2ccccc2C1)N1CCOCC1 55263687 OMHULYGNTPRQQZ-GFCCVEGCSA-N 298.364 0.157 0 50 CCAA CO[C@H]1C[C@@H](CO)N(Cc2ncc(Cl)n2C)C1 310201374 BVKKDLDFNDEXTJ-IUCAKERBSA-N 259.737 0.655 0 50 CCAA CN1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1=O 172543733 RBLVQGKUPLAQDO-ZDUSSCGKSA-N 284.319 0.833 0 50 CCAA O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccc(F)cc1 20745659 QNFCIGUSLSLMQR-VIFPVBQESA-N 275.243 0.939 0 50 CCAA CCNC(=O)[C@@H]1C[C@H](N)CN1Cc1nc(CC)[nH]c1C 67805886 RHJCWIGXFPKVTH-JQWIXIFHSA-N 279.388 0.318 0 50 CCAA Cc1ccc(C)c([C@H](O)CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 230153875 DTOMTTULZRAEOO-BPLDGKMQSA-N 292.379 0.911 0 50 CCAA CCc1ncc2c(n1)CN(C(=O)[C@H](C)Cn1cncn1)C2 67696635 MEMAQKZNEHQJRH-SNVBAGLBSA-N 286.339 0.809 0 50 CCAA O=C(O)c1cccnc1NCCN1CCC[C@H](CO)C1 1506396625 LGXZEOCBGJLLES-NSHDSACASA-N 279.340 0.896 0 50 CCAA O=C(COc1ccccc1)Nc1ccn([C@@H]2CCNC2)n1 328635410 URMZJTBZLNUSLI-GFCCVEGCSA-N 286.335 1.435 0 50 CCAA Cn1nccc1COCC(=O)N1[C@H]2CC[C@H]1CC(O)=NC2 328792037 AAFCONPANFGVMY-QWRGUYRKSA-N 292.339 0.657 0 50 CCAA O=C(O)/C=C/c1ccc(S(=O)(=O)NCC(=O)O)cc1 241049 LPNDEDYALRYUJN-ZZXKWVIFSA-N 285.277 0.147 0 50 CCAA CN(Cc1nccn1C)Cc1nnnn1CC(F)(F)F 331176452 KCJJMHKTFDGSNO-UHFFFAOYSA-N 289.265 0.601 0 50 CCAA CN(Cc1nnnn1CC(F)(F)F)C1(CO)CC1 331531338 SJNRMWWVCMNIPB-UHFFFAOYSA-N 265.239 0.192 0 50 CCAA Cc1nc2n(c1C)CCN(C[C@@H](O)CN1CCCC1=O)C2 362990764 YNAASVJYIXHMPN-CYBMUJFWSA-N 292.383 0.299 0 50 CCAA O[C@H]1CCN(C[C@@H](O)Cn2cccn2)C12CCCC2 333465642 QJIQIFNTUUUSFF-OLZOCXBDSA-N 265.357 0.623 0 50 CCAA CN1CCN(C(=O)CCN2C[C@@H]3C[C@H]2CS3)CC1 335584264 PXTNWXRHBLYPPX-RYUDHWBXSA-N 269.414 0.340 0 50 CCAA O[C@]1(CNCCOc2cccc3cccnc23)CCNC1 77420855 PIMYGGMGSAIKIO-MRXNPFEDSA-N 287.363 0.928 0 50 CCAA NS(=O)(=O)CCCC(=O)N1CCC[C@@H]1c1ccccn1 72458423 FPUSJFHZANQTOZ-GFCCVEGCSA-N 297.380 0.814 0 50 CCAA CS(=O)(=O)N[C@@H]1COCC[C@@H]1Oc1ccc(F)cc1 223479300 OGZLNPJSHZQVJB-NEPJUHHUSA-N 289.328 0.911 0 50 CCAA Cc1cc(C(=O)NC2CCN(CC(=O)O)CC2)ccc1O 223397886 DYQWAUJSFPVZNR-UHFFFAOYSA-N 292.335 0.979 0 50 CCAA CC(C)[C@@]1(C)CC(=O)N(Cc2nnn(C)n2)C1=O 289479861 XWFPMOGHOWIHPH-LLVKDONJSA-N 251.290 0.131 0 50 CCAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1cncc(=O)[nH]1 426389501 STMYBOPGDCFMAQ-UHFFFAOYSA-N 275.312 0.425 0 50 CCAA CNC(=O)c1ccc(N2CC[C@]3(CCCN(C)C3)C2)nn1 292667209 CTYSOTOPJDGYGY-HNNXBMFYSA-N 289.383 0.758 0 50 CCAA O=C(c1nc2ccccc2[nH]1)N1CCN2C(=O)OC[C@H]2C1 426395420 RZKBAKLYZUVXOJ-SECBINFHSA-N 286.291 0.840 0 50 CCAA Cn1cc([C@H]2CNCCN2C(=O)c2cccnc2O)cn1 181439872 UEEYEWVBWRIQNG-GFCCVEGCSA-N 287.323 0.307 0 50 CCAA Cc1[nH]nc(CN2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)c1Cl 97759192 PUMLGMUEFVKLGJ-CDJYRKNRSA-N 285.775 0.935 0 50 CCAA CCC[C@@](C)(NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)O 299748619 HRUOXJSDUQSYCL-JOYOIKCWSA-N 288.369 0.667 0 50 CCAA COCCc1noc(CNC(=O)c2ccn(C(C)C)n2)n1 534674590 FVIUGNNBTYCELH-UHFFFAOYSA-N 293.327 0.966 0 50 CCAA Nc1n[nH]c(C(=O)N2C[C@@H]3CCN[C@@H]3C2)c1Cl 534657470 PJBGWZKCVXVHQF-NTSWFWBYSA-N 255.709 0.079 0 50 CCAA CC(=O)NC(C)(C)C[C@@H](C)NCCn1ccnn1 534577392 MJCTWIYOSFGFAZ-SNVBAGLBSA-N 253.350 0.561 0 50 CCAA CNC(=O)[C@H]1CCN(C(=O)c2cncc(Cl)c2)C1 622727016 ZKTQMXFQOTVTRO-QMMMGPOBSA-N 267.716 0.943 0 50 CCAA Cc1cccc(C(=O)N[C@]2(CO)CCOC2)c1O 185286467 BPNYUFQPDWGQJU-ZDUSSCGKSA-N 251.282 0.582 0 50 CCAA Cc1nn(CCCNC(=O)C[C@H]2CNCCO2)c(C)c1C 299770774 MMUHRZXNPNLVMV-AWEZNQCLSA-N 294.399 0.693 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)CCOc1ccccc1 290282332 ABFAROHRQPQNPJ-STQMWFEESA-N 265.309 0.986 0 50 CCAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1ncon1)CC2 299794821 KQALXTUKNKJCET-JFGNBEQYSA-N 253.302 0.574 0 50 CCAA C[C@H](CN1CCOCC1)C(=O)NCc1csc(N)n1 827627175 MVPKMTKRCCHNHF-SECBINFHSA-N 284.385 0.310 0 50 CCAA CC(C)c1cc(C(=O)N2CCCNC(=O)C2)nc(N)n1 828308668 BFBJHCFMMDWSRO-UHFFFAOYSA-N 277.328 0.144 0 50 CCAA C[C@H](O)C(=O)N1C[C@H](C(=O)O)[C@H](c2ccccc2)C1 909835001 PYEQNGMILMDWQP-DLOVCJGASA-N 263.293 0.694 0 50 CCAA C[C@@H](NC(=O)c1ccc2n[nH]cc2c1)C1(O)CCNCC1 1875280740 ISCUTEFOBMSLPT-SNVBAGLBSA-N 288.351 0.796 0 50 CCAA Cc1cccc2c(CC(=O)NC[C@@H](O)CC(=O)O)c[nH]c12 1775991301 JXPUOUIZXAYUCO-NSHDSACASA-N 290.319 0.971 0 50 CCAA C[C@]1(O)CCN(C(=O)CCc2ccncc2)C[C@H]1O 1565528522 XFORZQNRRPPHBF-OCCSQVGLSA-N 264.325 0.358 0 50 CCAA CCOc1ccc2c(c1)[C@H](NC(=O)C1(O)COC1)CCO2 1362968090 FGISCSCHXDRPCK-GFCCVEGCSA-N 293.319 0.786 0 50 CCAA COc1coc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)cc1=O 407954532 DVSPFGNYZADCDO-ZJUUUORDSA-N 280.324 0.813 0 50 CCAA C[C@H](NC[C@@H]1CCC=CO1)[C@@H]1CN(C)CCN1C 685945137 XLWOUDLLYZNVMG-IHRRRGAJSA-N 253.390 0.903 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)c2cc[nH]c2C2CC2)C1 643998313 DPQXPVKRFRRHMM-OAHLLOKOSA-N 291.351 0.735 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cnn(C(C)C)c1 643939935 XDGGMWXFPYVDEK-CQSZACIVSA-N 294.355 0.571 0 50 CCAA O=C(N[C@@H]1C[C@H](C(=O)O)c2ccccc21)[C@@H]1COCCO1 653330180 BFVNPKORMSFYOW-XQQFMLRXSA-N 291.303 0.831 0 50 CCAA CCOC(=O)c1n[nH]c(CNC(=O)c2cccn2C)n1 585130262 LPXVFTRPZGVLAD-UHFFFAOYSA-N 277.284 0.250 0 50 CCAA COC[C@@]1(C(=O)OC)CCCCN1C(=O)c1ccn(C)n1 585127537 CNHYUAQFEPMFEC-CQSZACIVSA-N 295.339 0.604 0 50 CCAA CCC(=O)N1CC[C@H](Nc2ccc(S(C)(=O)=O)cn2)C1 680949421 QBHYIDYHLPPLEQ-JTQLQIEISA-N 297.380 0.908 0 50 CCAA Cc1cc(C(=O)O)nc(NCCCN2CCC[C@H](O)C2)n1 1506403417 RCTFATLNXZNSDW-NSHDSACASA-N 294.355 0.742 0 50 CCAA CCc1nc(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)n[nH]1 1857726983 GYAUHFNERBRANC-OUAUKWLOSA-N 266.345 0.339 0 50 CCAA CCN1C[C@H](CN(C)c2cnc(C(=O)O)cn2)CC1=O 1529105497 DFFQQABFRYYKEM-VIFPVBQESA-N 278.312 0.479 0 50 CCAA CN1CCC[C@H](NC(=O)CCn2cccn2)C1=O 331092108 ITUDRUYNELHRKC-JTQLQIEISA-N 250.302 0.010 0 50 CCAA NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC1CCC1 1616038557 HPAAPQSIOFLVOZ-OLZOCXBDSA-N 292.335 0.723 0 50 CCAA C=COCCNC(=O)C(=O)Nc1ccc(OC)cc1 2944155 FQPKEFKEPCJSKO-UHFFFAOYSA-N 264.281 0.910 0 50 CCAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1 1857716622 CCBOKALNLPMADD-DRZSPHRISA-N 280.372 0.174 0 50 CCAA C[C@@H]1CN(c2cc(N3CCCC3)ncn2)C[C@@H](CO)O1 225490539 BBPXDNJHJGIKQV-NEPJUHHUSA-N 278.356 0.663 0 50 CCAA COC(=O)[C@@H](C)CN1CCO[C@@H](c2nc(C)n[nH]2)C1 252516312 RRELXGGZBYJMJK-WCBMZHEXSA-N 268.317 0.296 0 50 CCAA O=C(NC[C@H]1CNCCCO1)[C@H]1Cc2ccccc21 333232662 UWIHGDOZTJNSKY-OCCSQVGLSA-N 260.337 0.821 0 50 CCAA O=C(CN1[C@H]2CC[C@H]1COC2)Nc1nccs1 333817425 IEYBQFSZPIUDDJ-IUCAKERBSA-N 253.327 0.945 0 50 CCAA CC[C@@H](C)N1CCN(c2nccc(CO)n2)CC1 450854672 DXNISCBDMPGLMK-LLVKDONJSA-N 250.346 0.889 0 50 CCAA O=C(c1csc(C2CC2)n1)N1C[C@@H](O)C[C@@H]1CO 359545398 ITVXTSNRLWPOHG-BDAKNGLRSA-N 268.338 0.588 0 50 CCAA O=C(O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 620779 SFOGRWODCWJHPB-JTQLQIEISA-N 285.321 0.842 0 50 CCAA O=S1(=O)CC[C@H](S(=O)(=O)N2CCCCCC2)C1 4194967 FQWRTAYXCRQAHY-JTQLQIEISA-N 281.399 0.379 0 50 CCAA CCCSCC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 225557870 HLALKBNSBOUHCW-SNVBAGLBSA-N 294.442 0.657 0 50 CCAA Ic1cnn(CC2CNC2)c1 307750131 IXGXWUCOYIQKJF-UHFFFAOYSA-N 263.082 0.707 0 50 CCAA CN1C(=O)C[C@@H](n2c(CO)nc3ccccc32)C1=O 100281318 YMPIEMCEWWTYAN-SNVBAGLBSA-N 259.265 0.458 0 50 CCAA CCc1nc(N2CCN(C)[C@@H](CCO)C2)ncc1C 106984770 SPEHGZKYPCHLTP-LBPRGKRZSA-N 264.373 0.850 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@H]1C(=O)O 117603277 DYMWLRVGPQDELA-RQJHMYQMSA-N 259.258 0.781 0 50 CCAA NC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1COc2ccccc21 229836266 MBXNLQGCFNPQIR-IJLUTSLNSA-N 274.320 0.933 0 50 CCAA COCCn1cc(CNC(=O)c2cccnc2)cn1 281735751 GWJYWIHGMQZUIX-UHFFFAOYSA-N 260.297 0.855 0 50 CCAA NC(=O)COc1ccccc1[C@@H]1NCCc2[nH]cnc21 65507486 DGCPMRWJRSYZTO-ZDUSSCGKSA-N 272.308 0.509 0 50 CCAA CN(C)C(=O)c1ccc(=NCCN2CCCCC2=O)[nH]c1 405291407 KBPDHHDDJLUAFZ-UHFFFAOYSA-N 290.367 0.630 0 50 CCAA CCc1nc(CN2CCN(C)[C@H](C(=O)O)C2)c(C)[nH]1 67920963 XJTQHOJUZWHJNU-NSHDSACASA-N 266.345 0.481 0 50 CCAA CCn1nncc1C(=O)N(CCOC)[C@@H]1CCO[C@@H]1C 329039025 ZRVCEWSEMNATFO-GHMZBOCLSA-N 282.344 0.564 0 50 CCAA Cc1nc2c(C(=O)NCc3cncn3C)ccnc2[nH]1 356753866 JJSDKLPDPIHTGK-UHFFFAOYSA-N 270.296 0.930 0 50 CCAA O[C@@]1(CNCCSc2ccccn2)CCCNC1 72418431 GIZCIAYIMXKTQY-ZDUSSCGKSA-N 267.398 0.878 0 50 CCAA CCc1cc(NCc2ncn[nH]2)nc(N2CCOCC2)n1 32560980 GJSOGXXQJLVSHU-UHFFFAOYSA-N 289.343 0.606 0 50 CCAA CC(C)c1n[nH]cc1C(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 377116737 HHXFJRCESXYCQF-GXSJLCMTSA-N 297.380 0.792 0 50 CCAA CC(=O)N[C@H](C(=O)N=c1cc[nH][nH]1)c1ccccc1 337658559 JVETVQSTBZUAKX-LBPRGKRZSA-N 258.281 0.648 0 50 CCAA C[C@H]1C(=O)Nc2cc(C(=O)NCC(=O)O)ccc2N1C 262509734 AVBQZVUKUZNQBE-ZETCQYMHSA-N 277.280 0.278 0 50 CCAA Cc1nc(C)n(-c2ccc(C(=O)N3CCNCC3)cc2)n1 237697123 ULZVWXDAJYDZAN-UHFFFAOYSA-N 285.351 0.930 0 50 CCAA Cc1n[nH]cc1C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 375983788 BTAJBIGAMQLDSL-NSHDSACASA-N 278.312 0.533 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)/C=C(\C)C2CC2)C1 284475358 BNSPEKPWHWZZBJ-VAZREYJMSA-N 252.314 0.444 0 50 CCAA O=C(c1cn[nH]c1)N1CCN(c2ncnc3nc[nH]c23)CC1 216117566 WTTABUSROGWCBC-UHFFFAOYSA-N 298.310 0.038 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)c3ncc(F)cc3F)[C@H]2C1 285256403 MEQCRKILODYIED-NWDGAFQWSA-N 297.305 0.905 0 50 CCAA C[C@@H](NC(=O)c1cc(N(C)C)ccn1)c1nnnn1C 239722379 CCNWUSZHWGYICF-MRVPVSSYSA-N 275.316 0.162 0 50 CCAA C[C@H](C(=O)N(C)CCc1ncon1)N1CCCCC1 426535872 MGBWAARJYVKDPJ-LLVKDONJSA-N 266.345 0.945 0 50 CCAA Cc1cnn(CCCSc2nnc(CN)n2C)c1 426526838 HCUQOANMVAOCIQ-UHFFFAOYSA-N 266.374 0.961 0 50 CCAA O=C(COC[C@H]1CCCCO1)N1CCCNCC1 42355033 CNSGWOINHZVNOF-GFCCVEGCSA-N 256.346 0.394 0 50 CCAA CCc1ccc(C(=O)N(CCOC)CC(=O)O)[nH]1 426734532 QLHSDLPOMDQDBC-UHFFFAOYSA-N 254.286 0.750 0 50 CCAA CCOC(=O)[C@H]1[C@@H]2C(=O)N(C(C)C)C[C@@]23C=C[C@H]1O3 141620771 AEDVTSVCGQKNTJ-BIAAXOCRSA-N 265.309 0.740 0 50 CCAA C[C@H]1[C@@H](NC(=O)c2cc(N(C)C)ccn2)CCS1(=O)=O 293849719 UYPDWTPDDDUQEB-ONGXEEELSA-N 297.380 0.453 0 50 CCAA C[C@H](COCC(F)(F)F)NC(=O)[C@H]1CCNC1 239882237 DAQJUKJHJRXUJL-SFYZADRCSA-N 254.252 0.680 0 50 CCAA Cc1nonc1C(=O)N1CCC(C(=O)N2CCCC2)CC1 252504511 VJQUFIOUWBKYHF-UHFFFAOYSA-N 292.339 0.853 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CC[C@@H]2CCCOC2)CCO1 299753449 YGDWLLKMOBDZNE-WDEREUQCSA-N 271.313 0.505 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1cnc(-c2ccccn2)nc1 534581189 YRTWPSKLRDWMJP-STQMWFEESA-N 299.334 0.255 0 50 CCAA O=C(CN1CCCCCCC1)NC[C@@H]1CCNC[C@H]1O 534580770 DHHWIJLRJNRGFG-UONOGXRCSA-N 283.416 0.339 0 50 CCAA C[C@@H](CCNc1ccc(C(=O)O)nn1)N1CCN(C)CC1 821751163 LSBBDYSCINGXAT-NSHDSACASA-N 293.371 0.613 0 50 CCAA COCCN1CCC[C@@H](CNC(=O)c2cnc(O)[nH]2)C1 824413164 OYBTZOLHPZNPRA-JTQLQIEISA-N 282.344 0.204 0 50 CCAA CC1(C)NC(=O)[C@H](COCc2ccccc2)NC1=O 828301265 HLMRWQVAVYYTMB-NSHDSACASA-N 262.309 0.596 0 50 CCAA Cc1c(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)ccn1C 584892602 SFFPIUPDQSBLHS-KBPBESRZSA-N 277.368 0.615 0 50 CCAA Cc1cc(CC(=O)NC(C)(C)CN2CCOCC2)on1 580205881 GWYIYONKSBWPDR-UHFFFAOYSA-N 281.356 0.753 0 50 CCAA COc1cccc2ncn(CCc3ncnn3C)c(=O)c12 584900172 KRKXSHOKYXFNPD-UHFFFAOYSA-N 285.307 0.776 0 50 CCAA CC(C)(C)OC(=O)NCCC[C@@H](NC(N)=O)C(=O)O 685944350 KJNSVMYVVBHHIR-SSDOTTSWSA-N 275.305 0.413 0 50 CCAA CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N1CCOCCN1 1875267869 IRMMYYWQJPMGFO-STQMWFEESA-N 286.372 0.570 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@H]2COC[C@H]2C1 1875269678 FIEYJYVYROTEKI-AOOOYVTPSA-N 275.308 0.778 0 50 CCAA N[C@H]1CCCN(C(=O)[C@@H]2Cc3ccc(O)cc3CN2)C1 1875337581 AGUJCLZGCTYKGR-JSGCOSHPSA-N 275.352 0.356 0 50 CCAA CCN(CCN1CCOCC1)Cc1cnc(OC)nc1 1206418537 POTYNGAUJIMXQO-UHFFFAOYSA-N 280.372 0.639 0 50 CCAA Cc1ccc(NCc2cn(CC(N)=O)nn2)c(C)c1 892310340 PONYKWUFGZHBRV-UHFFFAOYSA-N 259.313 0.992 0 50 CCAA C=CC(=O)NCCc1ccccc1S(C)(=O)=O 1335323061 BOGQCTKMPUZJFX-UHFFFAOYSA-N 253.323 0.935 0 50 CCAA O=C(O)[C@H]1[C@H](C(=O)NC2CCCC2)[C@H]2C=C[C@H]1O2 245227346 CYEWXIMQAJUNGL-GWOFURMSSA-N 251.282 0.699 0 50 CCAA CC(=O)N1CC[C@](O)(COc2nc(C)cc(C)n2)C1 585117903 ZQGHDOQCNAWKAK-CYBMUJFWSA-N 265.313 0.456 0 50 CCAA CO[C@@H]1CN(C(=O)c2nc[nH]c3nccc2-3)[C@@](C)(CO)C1 634075017 RGBYKLPPDXGSEK-LKFCYVNXSA-N 290.323 0.521 0 50 CCAA CC1(C)NC(=O)N(c2ccc3c(c2)C(=O)NC3=O)C1=O 170613878 XSWFTHXCXFCYDD-UHFFFAOYSA-N 273.248 0.405 0 50 CCAA CO[C@@H](C)CS(=O)(=O)NCc1c(C)noc1C 170616488 NZXUDUPHJZZOHK-ZETCQYMHSA-N 262.331 0.746 0 50 CCAA CO[C@H](C)C(=O)NCC1CCN(c2ncccn2)CC1 170607796 NNGCCBRAJIWJPA-LLVKDONJSA-N 278.356 0.844 0 50 CCAA CN1C[C@@H](NS(=O)(=O)N2CCCC2)Cc2ccccc21 641631086 YAEVONISZSTARV-ZDUSSCGKSA-N 295.408 0.978 0 50 CCAA OCc1ccnc(NCc2cn(C[C@@H]3CCOC3)nn2)c1 641762630 PLVZTIXTTUEZEH-LBPRGKRZSA-N 289.339 0.814 0 50 CCAA Cc1cnc2nc(C(=O)N[C@H](C)[C@H](C)C(=O)O)nn2c1 581261098 IKUWEELXFVEEPU-JGVFFNPUSA-N 277.284 0.272 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(O)C3)n[nH]c21 1857528611 TZZDVIDGYSVWHU-RQJHMYQMSA-N 251.286 0.249 0 50 CCAA CCCc1cnc(C)nc1NCCCN1CCNC(=O)C1 1529141428 BONIGWKQKGYYJD-UHFFFAOYSA-N 291.399 0.971 0 50 CCAA COCCN1CC[C@@H](CN(C)Cc2nnc(C)o2)C1 1529127022 XPEZUUQLOOKYCS-LBPRGKRZSA-N 268.361 0.778 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)c1cn(C)cn1 408009114 PINHQQBQAOFNSK-JTQLQIEISA-N 250.302 0.161 0 50 CCAA O=C(CCc1cccnc1)NC[C@H]1CCNC[C@@H]1O 216905470 KZMFNRBVQSTKST-OLZOCXBDSA-N 263.341 0.101 0 50 CCAA CC(C)n1nnnc1CN[C@H]1CCCC[C@H]1CO 125124349 ZJEAAVOWARPBNL-QWRGUYRKSA-N 253.350 0.895 0 50 CCAA COC[C@@H]1CN(C(=O)CN2CCCCC2=O)CC(C)(C)O1 343750785 CYAVHKCVKSXFQO-LBPRGKRZSA-N 298.383 0.651 0 50 CCAA COC(=O)CCNC(=O)c1cn2c(n1)CC[C@@H](C)C2 585140587 HKZLFQYBMKUHMY-SECBINFHSA-N 265.313 0.758 0 50 CCAA Cn1nc(C2CC2)cc1CNC(=O)[C@]12CNC[C@H]1COC2 1615544906 DZHNWMPJCLFTHI-NHYWBVRUSA-N 290.367 0.150 0 50 CCAA Cc1cccnc1N1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1615740317 VCLQTIABXLXCLJ-NEPJUHHUSA-N 299.396 0.079 0 50 CCAA CCN(CC)C[C@@H](C)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772804932 GZJHZCWCPUWIIC-UPJWGTAASA-N 256.390 0.249 0 50 CCAA CC(=O)NCC(=O)N1CC[C@]2(CCCN(CC3CC3)C2)C1 12299514 NNKMRJBIOTVYEO-INIZCTEOSA-N 293.411 0.847 0 50 CCAA COCCNC(=O)c1ccc(N2CCOCC2)cc1 14396175 XLSBDUIKJLRAPT-UHFFFAOYSA-N 264.325 0.899 0 50 CCAA COc1cncc(CN2C[C@H](C)[C@@H](N3CCOCC3)C2)n1 625221398 OMCARSOFPUXOQI-JSGCOSHPSA-N 292.383 0.638 0 50 CCAA CNC(=O)c1n[nH]c(C2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)n1 818477612 FZFHSUVQLYNGPH-PSASIEDQSA-N 291.355 0.526 0 50 CCAA Cn1cccc1CNC(=O)CN1CCCC[C@@H](O)C1=O 818791240 MAWKEXNFHKZYNC-GFCCVEGCSA-N 279.340 0.015 0 50 CCAA C=CC(=O)NCCC(=O)N1CC(C)(C)CC[C@@H]1CO 1120694254 JYYDMIRIWKRVJH-LLVKDONJSA-N 268.357 0.688 0 50 CCAA C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCC[C@@H](N)C1 226741007 BOPFGNTUINZERI-WISYIIOYSA-N 267.373 0.616 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)c2n[nH]c3c2CCCC3)C1 238104462 VZGUTUDUNLKAEA-QMMMGPOBSA-N 263.297 0.835 0 50 CCAA O=C(CCN1CCCC1)NCC1(CO)CCOCC1 534575281 BVXSJKQLZWIFHR-UHFFFAOYSA-N 270.373 0.378 0 50 CCAA OC[C@@H]1CNCCN1Cc1nc(-c2ccccc2)no1 685943234 GLCDAEPYFMCRNM-LBPRGKRZSA-N 274.324 0.503 0 50 CCAA CC(C)(O)CCN1CCC[C@@H](N2CCNC2=O)C1 370168087 ZQPQDMDROSCXBL-LLVKDONJSA-N 255.362 0.637 0 50 CCAA COC(=O)[C@@H]1CC[C@H](C(=O)Nc2nnc(N(C)C)o2)C1 2100473651 RLZSUQHVKZZFHW-JGVFFNPUSA-N 282.300 0.663 0 50 CCAA COc1nc(C(=O)Nc2ccc3nn(C)nc3c2)nn1C 2100482710 SDQWGEQEOYKMPM-UHFFFAOYSA-N 287.283 0.358 0 50 CCAA O=C(C[C@H]1NC(=O)NC1=O)Nc1ccc(F)cc1 2860504 NVCSDUCAYCKZLF-MRVPVSSYSA-N 251.217 0.362 0 50 CCAA CN1CC[C@H](O)[C@H](C(=O)N(Cc2cnn(C)c2)C2CC2)C1 2356157767 PXYQFCMEXLHRRP-KGLIPLIRSA-N 292.383 0.224 0 50 CCAA Cc1cc(NC(=O)CN2C[C@@H](C)OC[C@H]2C)n(C)n1 248047465 QDKQUCUZQLIMTO-GHMZBOCLSA-N 266.345 0.776 0 50 CCAA OCc1cn(CC2CCN([C@@H]3CCSC3)CC2)nn1 20206376 UXRYDKPDVDOPHL-CYBMUJFWSA-N 282.413 0.988 0 50 CCAA CC(=O)N[C@@H](CCC(N)=O)c1nc(CC(C)C)n[nH]1 65410435 LSBZLVHUTNQJCA-VIFPVBQESA-N 267.333 0.446 0 50 CCAA O[C@H]1CCCN(c2ccnc(-c3cncnc3)n2)C1 215512414 ZRBADQFPJMSFDX-NSHDSACASA-N 257.297 0.895 0 50 CCAA O=C(O)[C@@H]1CN(Cc2cnc3cc(O)ccc3c2)CCN1 71759310 SVJDPQVLHKUFGN-AWEZNQCLSA-N 287.319 0.799 0 50 CCAA CC(=O)NCC(=O)NCC1C[C@@H]2CC[C@H](C1)N2C 363022665 KEOHSTXXRDCKSO-YOGCLGLASA-N 253.346 0.112 0 50 CCAA NC[C@H]1CC[C@@H](NC(=O)N2CCc3ccnc(O)c3C2)C1 333486660 CUEBSYFYUIWQKS-CMPLNLGQSA-N 290.367 0.982 0 50 CCAA C[C@H](Cn1cnc2cn(C)nc2c1=O)Oc1cccnc1 72163660 IVUBPNYUCBFGJI-SNVBAGLBSA-N 285.307 0.993 0 50 CCAA CN1CC(=O)N(C[C@@H]2CCCN(c3ncccn3)C2)C1=O 370225330 SOLQBTPOUMMZKA-LLVKDONJSA-N 289.339 0.587 0 50 CCAA NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](N)C2)cc1 158203150 NRLFEMILSTVKPE-LJLILKBBSA-N 273.336 0.748 0 50 CCAA Cc1nc(SCCNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n[nH]1 426574686 HIOZILOGYZMEOF-DTWKUNHWSA-N 298.368 0.822 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N1CCCC[C@@H]1C(=O)O 426425238 LRXVBKZCSQXUCA-LLVKDONJSA-N 292.339 0.930 0 50 CCAA O=C1NC[C@H](C(=O)N2CCOc3ccccc3C2)N1 1857682610 KOBMMUOOAWQUIF-SNVBAGLBSA-N 261.281 0.089 0 50 CCAA CCC(CC)N1C[C@@H](C(=O)N2CC(O)C2)CC1=O 177990694 HUDIRAXTPNHJBN-VIFPVBQESA-N 254.330 0.227 0 50 CCAA CC(C)Cc1cc(C(=O)N2CC[C@H](O)C2)n(C)n1 82139137 LCNLEEXQZXYPDN-NSHDSACASA-N 251.330 0.825 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)c2nonc2C)C1 91848039 CBOCXBKLPACBSZ-CYBMUJFWSA-N 283.328 0.629 0 50 CCAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(CCO)C(=O)[C@@H]12 239284722 BYJRWLZLNXNCIP-ASEORRQLSA-N 285.299 0.434 0 50 CCAA C[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@]1(C)O 91364740 OLGIJGUVWQEDLY-YGRLFVJLSA-N 296.346 0.659 0 50 CCAA COc1ccc(NC(=O)N2C[C@H](N(C)C)C[C@H]2CO)cn1 97551291 AHNUYRDYCAHIRU-NEPJUHHUSA-N 294.355 0.619 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C2(N)CCCC2)CC1=O 299749761 LKYUPSULAPUYCY-GMTAPVOTSA-N 265.357 0.383 0 50 CCAA OC1CN(c2nc(NCC3CC3)cc([C@H]3CCOC3)n2)C1 299781938 SBCMRDMZDLJXHW-NSHDSACASA-N 290.367 0.983 0 50 CCAA CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H](N(C)C)CN2C1=O 821429304 ORVGQCAXESGAKU-VWYCJHECSA-N 253.346 0.062 0 50 CCAA COCCN1CCC[C@@H](CNc2ccc(C(N)=O)cn2)C1 670455833 AUKRXLXQOQGOOU-LBPRGKRZSA-N 292.383 0.951 0 50 CCAA CO[C@@H]1C[C@H](NC(=O)c2nc(C3CC3)no2)C[C@@H]1O 1875318536 RGBXBGCNXXXUPO-HRDYMLBCSA-N 267.285 0.215 0 50 CCAA N[C@H]1CCc2nc(C(=O)N3CCCC[C@@H]3C(=O)O)cn2C1 1875354124 AISOWHDSNGXTOG-GXSJLCMTSA-N 292.339 0.236 0 50 CCAA O=C(Cc1cc(O)nc(O)n1)NC[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1875314141 JEBKVFOMEPRNEG-YOCAVLTLSA-N 289.335 0.839 0 50 CCAA CNC(=O)[C@@H]1C[S@@](=O)[C@H]2c3ccccc3C(=O)N21 1875321415 HTJJYMVDXADFRC-RPRQWQAVSA-N 264.306 0.018 0 50 CCAA C=CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1875374604 ABBWNORVSAPXTL-VHSXEESVSA-N 270.329 0.659 0 50 CCAA CN1CC[C@@](C)(C(=O)NCC2CCN(CCO)CC2)C1 952870073 RIGPOKFONWBXOI-OAHLLOKOSA-N 283.416 0.149 0 50 CCAA COc1cc(NC(=O)[C@@H]2CCCO2)cc(-n2cnnn2)c1 952979273 MDXCZDSFZYVNSK-LBPRGKRZSA-N 289.295 0.788 0 50 CCAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@H]1CCOC1 952860140 FZHHYVXFILPATF-VIFPVBQESA-N 289.295 0.646 0 50 CCAA N[C@H](C1CCCC1)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958528274 PNAHLWMEHLXSMF-DAAZQVBGSA-N 273.398 0.975 0 50 CCAA CCNC(=O)CCN[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 886077940 KEPCPXVCKRRTBJ-XQQFMLRXSA-N 269.389 0.090 0 50 CCAA Cc1ncn(CCNC(=O)[C@@H](N)C(C)(C)C)c1C 244718681 LOWSVMPOAZHHRL-LLVKDONJSA-N 252.362 0.990 0 50 CCAA CN1CCN(C(=O)c2ccc3c(c2)NC(=O)NC3)CC1 1776006562 WKEZBWLBCPGEHR-UHFFFAOYSA-N 274.324 0.709 0 50 CCAA O=C(CNc1ccc(F)cc1)N1CC[C@H](CO)[C@@H](O)C1 1529161589 LRCKELCIVUISSM-MFKMUULPSA-N 282.315 0.439 0 50 CCAA COCC(C)(C)CS(=O)(=O)N1C[C@@H](N)C2(CCC2)C1 1775962525 QJTCXCDMZUMWAZ-LLVKDONJSA-N 290.429 0.802 0 50 CCAA COC(=O)[C@H](C)CS(=O)(=O)N1CCN(C)[C@@H](C)[C@@H]1C 408079664 AJAVODKSBHSCKN-VWYCJHECSA-N 292.401 0.150 0 50 CCAA Cn1cnc2c(NCc3ccc(C(N)=O)o3)ncnc21 674411598 GTYXWNJEOAARCN-UHFFFAOYSA-N 272.268 0.667 0 50 CCAA Cn1nccc1COCC(=O)N1CCNC[C@H]1C(F)F 515054323 RILHXMZKLBYDRZ-JTQLQIEISA-N 288.298 0.002 0 50 CCAA Cc1cc(=NC(=O)c2ccc3c(c2)B(O)OC3)[nH]n1C(C)C 584999334 ACTWUVWHNUIEJY-UHFFFAOYSA-N 299.139 0.664 0 50 CCAA CC(C)(C)C(=O)C(=O)NC1(CO)CCSCC1 585087063 MMBSGKSIUJOVGR-UHFFFAOYSA-N 259.371 0.976 0 50 CCAA CCOC(=O)C1(C(=O)NCCCCO)CCCC1 585089740 FMKHOZDNKFTQNS-UHFFFAOYSA-N 257.330 0.999 0 50 CCAA CC(C)CN1C[C@H](C(=O)N[C@@H]2CN(C)CC2(C)C)CC1=O 1413642745 RESGFQMUXZBTIS-CHWSQXEVSA-N 295.427 0.947 0 50 CCAA O=C(NCCN1CCNCC1)c1ccccc1Cl 19680787 JZOPNLRYRXDYCC-UHFFFAOYSA-N 267.760 0.975 0 50 CCAA C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C(F)(F)F 913022034 USHXNZXNEJYEPG-RQJHMYQMSA-N 288.291 0.477 0 50 CCAA CCc1nnc(NC(=O)CCN2C(=O)CCC2=O)s1 858443 MCQIIOCDFMRIGV-UHFFFAOYSA-N 282.325 0.578 0 50 CCAA COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 5224322 BHEWJAXNLVWPSC-NRPADANISA-N 258.343 0.885 0 50 CCAA in-vitro O=C(O)[C@]12CN(Cc3cncs3)C[C@@]1(C(=O)O)C2 1704325598 NPDMCPYKPKAKDE-PHIMTYICSA-N 268.294 0.504 0 50 CCAA COc1ccc(CN2CC[C@H](C(=O)O)[C@H](O)C2)cc1O 1704305703 NEXKORKHBCUGFE-CMPLNLGQSA-N 281.308 0.668 0 50 CCAA COc1cc(N2CCC3(CC2)CN(C)CCO3)nc(N)n1 1772818520 SRMACEWCCOVZOI-UHFFFAOYSA-N 293.371 0.368 0 50 CCAA CC(C)(C)[C@@]1(c2ccccc2)NC(=O)N(CC(N)=O)C1=O 4511965 XUNDBLBBNDXKLR-HNNXBMFYSA-N 289.335 0.965 0 50 CCAA O=C1NS(=O)(=O)c2ccc(Br)cc21 4320758 CAQZLJNJEVYRLS-UHFFFAOYSA-N 262.084 0.881 0 50 CCAA CN(C)c1nc(N2C[C@@H]3CCOC[C@]3(CO)C2)ncc1F 1857668785 YIFOCHJGZOLZSY-IINYFYTJSA-N 296.346 0.517 0 50 CCAA O=C1CC2(CCN(C3CCOCC3)CC2)OCCN1 1857706858 UADFLDKJBUSUTG-UHFFFAOYSA-N 268.357 0.537 0 50 CCAA COCCn1cc(NC(=O)c2cccc(C(N)=O)n2)cn1 541012874 BORYOGAXVKGYBG-UHFFFAOYSA-N 289.295 0.276 0 50 CCAA COCCc1cc(NC(=O)[C@@H]2C[C@H](OC)CN2C)n(C)n1 345758445 SUXSSSXOOXLHED-RYUDHWBXSA-N 296.371 0.267 0 50 CCAA O=C1NCC[C@@H]1C(=O)N1CCOc2ccccc2C1 666868503 VVTINPZAJBSPPB-NSHDSACASA-N 260.293 0.544 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1nc(N(C)C)no1 356406131 NBECAPAYKVQUMC-ZJUUUORDSA-N 282.344 0.957 0 50 CCAA O=C(NC[C@H](CCO)c1ccccc1)[C@H]1CCNC1 262625121 IOWCSIGSNKHUGH-KBPBESRZSA-N 262.353 0.878 0 50 CCAA CN(CC1CC1)C(=O)CN1C(=O)NCC(C)(C)C1=O 902518803 KFXVMBVLPGZISS-UHFFFAOYSA-N 267.329 0.433 0 50 CCAA Cc1nc([C@@H]2CCN(C(=O)c3snnc3C)C2)n[nH]1 1650199952 OPZNOQJTSGJMFW-MRVPVSSYSA-N 278.341 0.903 0 50 CCAA O=C(CCCn1c(O)nnc1O)N1CC(C(F)(F)F)C1 906844114 WQNYBWXOANORHD-UHFFFAOYSA-N 294.233 0.490 0 50 CCAA COc1nccc(C(=O)N2CCC[C@@H](n3cncn3)C2)n1 931988675 DVQKUMOMIOYHSE-SNVBAGLBSA-N 288.311 0.554 0 50 CCAA O=C(COc1ccc(F)c(F)c1)N1C[C@@H](O)C[C@@H](O)C1 933951701 JEEUESSGSNXYAE-DTORHVGOSA-N 287.262 0.298 0 50 CCAA OC[C@H]1CNCCN1Cc1nc(-c2ccccc2)no1 685943230 GLCDAEPYFMCRNM-GFCCVEGCSA-N 274.324 0.503 0 50 CCAA CC(C)c1cc(=NCC2(O)CCN(C)CC2)[nH]cn1 397609255 QPLWNPOTTAPHFT-UHFFFAOYSA-N 264.373 0.891 0 50 CCAA O=C1C[C@H]([C@H]2CCN(c3cncc(-n4cccn4)n3)C2)CN1 2325790873 RPFZVALQBHQSFO-RYUDHWBXSA-N 298.350 0.625 0 50 CCAA O=C(NC1C[C@@H]2C[C@H]2C1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 862045275 UTORPBLHNYXLRF-XGNJGWBYSA-N 277.320 0.622 0 50 CCAA Cc1ccc(-n2nc3c([n+]2[O-])CCc2nonc2-3)cc1 195002 FUYWSXHEJAWYOS-UHFFFAOYSA-N 269.264 0.963 0 50 CCAA COCCN1Cc2nnc(-c3cc[nH]n3)n2[C@@H](C)C1=O 2356159224 RJIBGVKJXKHSKQ-QMMMGPOBSA-N 276.300 0.218 0 50 CCAA O=C(NS(=O)(=O)c1cccnc1)[C@H]1C[C@H]2CC[C@H]1O2 225429270 AULCYEHBNYAJLS-DVVUODLYSA-N 282.321 0.454 0 50 CCAA CN(C)c1ccnc(C(=O)N2C[C@@H](F)C[C@H]2CO)c1 347369807 FIWGSEYHHJBAIV-ONGXEEELSA-N 267.304 0.693 0 50 CCAA Cc1ncc2c(n1)CC[C@H](N1C(=O)CN(C)C1=O)C2 348839329 XDNLTQDKJHKYMV-JTQLQIEISA-N 260.297 0.536 0 50 CCAA O=C([C@@H]1CCCCS1(=O)=O)N1CCOCC12CC2 328755493 SYKFAMSSKCTCSH-JTQLQIEISA-N 273.354 0.345 0 50 CCAA COc1cccc([C@@H](C)NC(=O)[C@@H]2C[C@H](N)CN2C)c1 67908535 WJWWJTOHPJMEQX-OSMZGAPFSA-N 277.368 0.904 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)C1 229756216 MZPJJXOXPYVMSQ-WDEREUQCSA-N 289.401 0.160 0 50 CCAA CS(=O)(=O)NC[C@@H]1CCCN(Cc2cccnc2N)C1 253428723 KVKDHAKFRKZPES-NSHDSACASA-N 298.412 0.425 0 50 CCAA OC1(CN2CCO[C@@H](COCC3CC3)C2)CCOCC1 330133544 MABSGHBHSOZEPC-CQSZACIVSA-N 285.384 0.655 0 50 CCAA CCOC(=O)[C@@H](CO)NC(=O)C(=O)c1cc(F)ccc1C 360617192 VWKFQQQIANATLB-LLVKDONJSA-N 297.282 0.357 0 50 CCAA O=C1C[C@@H](C(=O)N2CCc3ccncc32)CN1c1cn[nH]c1 363870880 ZDBAMWKOMXEEJE-LLVKDONJSA-N 297.318 0.747 0 50 CCAA O=C(Cn1cnnn1)N1CC[C@H](c2ccc(F)cc2)C1 77358772 ONDDHJBURRVUIF-NSHDSACASA-N 275.287 0.828 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1ncncc1Cl 238079286 ZHABPQLCSZVXGH-SSDOTTSWSA-N 255.661 0.819 0 50 CCAA Cc1nnc(N(C)C(=O)CNC(=O)C(C)(C)C)s1 331203850 NYISXSFSNBTQBJ-UHFFFAOYSA-N 270.358 0.972 0 50 CCAA CCO[C@H]1CN(Cc2nc(CSC)no2)C[C@@H]1O 218962322 ABGOJJADGPCIOQ-IUCAKERBSA-N 273.358 0.514 0 50 CCAA CO[C@@H](C(=O)NCc1nc(=O)[nH][nH]1)c1ccccc1 215583262 JLMWBPROKKLUOH-SNVBAGLBSA-N 262.269 0.102 0 50 CCAA COc1ccnc(N(C)C[C@@H]2C[C@H](OC)CN2C)n1 284668088 YLRIQNZDJSTLNH-QWRGUYRKSA-N 266.345 0.641 0 50 CCAA COC[C@@H]1CN(C(=O)Cc2cc(C)[nH]n2)CC(C)(C)O1 285483361 LTJMVADUNUPKHJ-LBPRGKRZSA-N 281.356 0.913 0 50 CCAA C[C@@H]1C[C@H](N)CCN1C(=O)c1ccc2c(c1)OCC(=O)N2 237422011 GJOZBWCXRMPWQW-MWLCHTKSSA-N 289.335 0.969 0 50 CCAA NC(=O)C[C@@H](NC(=O)CCc1ccoc1)C1CCOCC1 175460394 CZHXPNSWRPJYHY-CYBMUJFWSA-N 294.351 0.999 0 50 CCAA NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCOC2)cc1 48628135 SPJYVKNLKSUISM-LLVKDONJSA-N 298.364 0.029 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@H](N2C(=O)N3CCC[C@@]3(C)C2=O)CC1=O 239527627 ATMXZJZGFKUAAQ-OZWUEAAUSA-N 291.351 0.812 0 50 CCAA CC[C@H](NC(=O)c1cnc(O)cn1)[C@H]1C[C@@H](O)C1 222704655 MXMKXPKEQDANKS-CIUDSAMLSA-N 251.286 0.462 0 50 CCAA CCN1CCN(C(=O)c2cc(=O)cc(C)o2)[C@H](C)C1=O 223663241 CYYLFCHQZRRXPM-SNVBAGLBSA-N 278.308 0.641 0 50 CCAA O=C(COc1ccc(CO)cc1)N[C@@H]1CCCOC1 614934845 MESIAWWUYLLJRO-GFCCVEGCSA-N 265.309 0.853 0 50 CCAA O=C(NCCSc1ncn[nH]1)c1ccc2nccn2c1 222423412 PXFKUPLENISKTF-UHFFFAOYSA-N 288.336 0.975 0 50 CCAA C[C@@H]1CN(C(=O)CCCn2cnnn2)C[C@@]1(O)C1CCC1 91872735 KELUSHMNDJHGIZ-RISCZKNCSA-N 293.371 0.463 0 50 CCAA Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCNC[C@H]1O 534590192 AYTOSXIRERIUAH-GHMZBOCLSA-N 288.344 0.135 0 50 CCAA CCCCN1CCN(C(=O)Cn2ccnc2)C[C@@H](O)C1 97553229 AIPCNQVCNWEPPQ-ZDUSSCGKSA-N 280.372 0.188 0 50 CCAA CNC(=O)[C@H]1CN(c2nc3ccccc3o2)CCO1 181151284 OETHDEXCFAWXCQ-LLVKDONJSA-N 261.281 0.779 0 50 CCAA CC[C@H](C)[C@H](CO)NC(=O)C1(n2cnnn2)CCCCC1 252494708 OCIXMZNNDUMQOZ-RYUDHWBXSA-N 295.387 0.856 0 50 CCAA Cc1nc(C)c(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)o1 534646587 WJDKUEDRQXABBG-RYUDHWBXSA-N 279.340 0.884 0 50 CCAA C[C@H]1CCCCN1C1CN(C(=O)NCc2nc(N)n[nH]2)C1 534672997 BMGLSABSHYGZDS-VIFPVBQESA-N 293.375 0.155 0 50 CCAA Cc1nc(Cn2ncc3ccccc32)n(CCO)n1 828778272 CQMNGYGXDHGWFY-UHFFFAOYSA-N 257.297 0.977 0 50 CCAA Cn1cnnc1SCCn1cnc2ncccc2c1=O 584889392 RMLNGDYBCLHNGW-UHFFFAOYSA-N 288.336 0.712 0 50 CCAA O=c1ccnc2sc(N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)nn12 1875264659 FCCMZAJIESKTIV-PTPLXHBWSA-N 290.348 0.357 0 50 CCAA C[C@@H]1C[C@@H]1S(=O)(=O)NC(=O)C1SCCS1 1875285185 FYPHGMJOOWPCFY-RITPCOANSA-N 267.397 0.647 0 50 CCAA Cc1ccc(CN(CCO)c2cc(=O)n(C)c(O)n2)o1 1875275801 SIHBGOJBYKLCDT-UHFFFAOYSA-N 279.296 0.386 0 50 CCAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCC[C@H]2CO)CC1 1875370536 SKCKEEUYQQDLBI-STQMWFEESA-N 280.368 0.688 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)Cn1nccc1C 1329273950 MDJAIFQIVORPEH-RYUDHWBXSA-N 267.329 0.502 0 50 CCAA COCC1(NC(=O)[C@H](C)Cn2cncn2)CCCC1 952967507 LTSZFSDYUITGPV-LLVKDONJSA-N 266.345 0.990 0 50 CCAA Cc1cn2ccnc(C(=O)NC/C=C/S(C)(=O)=O)c2n1 1776005646 FDKCHENBTOOJIO-XVNBXDOJSA-N 294.336 0.326 0 50 CCAA Cc1cnn(C[C@@H]2CN([C@H]3CCOC3=O)CCO2)c1 247112768 JAAPQWGEHYHRRC-RYUDHWBXSA-N 265.313 0.208 0 50 CCAA CC(=O)N1CC[C@H](CN(C)C(=O)C2(O)CCCC2)C1 407994112 ALLHMUVYDDJRQL-GFCCVEGCSA-N 268.357 0.618 0 50 CCAA Cc1noc(NS(=O)(=O)[C@H](C)C(=O)N(C)C)c1C 408013249 KDRCNRPYMFJPGZ-MRVPVSSYSA-N 275.330 0.510 0 50 CCAA CCc1nccn1CCC(=O)N[C@H]1CCOC[C@@H]1OC 1565528565 GWORDPUCSPDIBP-RYUDHWBXSA-N 281.356 0.756 0 50 CCAA CC(C)C[C@@H]1COCCN1c1ccc2nnnn2n1 301514526 FZYOCTWDNXVHBI-SNVBAGLBSA-N 262.317 0.771 0 50 CCAA O=C(CN1CCN(Cc2ccc(F)cn2)CC1)NC1CC1 276196533 DESUECQBGNVTEX-UHFFFAOYSA-N 292.358 0.617 0 50 CCAA Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)cc1 170607860 VQCQSYDQQXGFNT-STQMWFEESA-N 276.336 0.986 0 50 CCAA COCCO[C@@H](C)c1nnc2n1C[C@H](C(=O)OC)CC2 601045523 VYEKLWPGLAEGJE-VHSXEESVSA-N 283.328 0.738 0 50 CCAA NC[C@@H]1CN(C(=O)c2ncc3c(F)cccn23)CCO1 638173151 ULMBQLAWHKYUQZ-SECBINFHSA-N 278.287 0.273 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)Cc1cccnc1 189051768 VRERUGMDYVGEEM-ZDUSSCGKSA-N 275.352 0.997 0 50 CCAA Cn1nnc2c(=O)n(Cc3noc(C(C)(C)C)n3)cnc21 647136640 YEXKJXSNONASFS-UHFFFAOYSA-N 289.299 0.254 0 50 CCAA Cc1c([C@H]2CNC[C@@H]2C(=O)N=c2cc[nH]cc2)cnn1C 649275615 URQGFYHBLRHGCL-KGLIPLIRSA-N 285.351 0.487 0 50 CCAA COC[C@@]1(C(=O)O)CCCN(c2nnc(C)c(C)n2)C1 565542120 CJFQELIHFGXOHH-CYBMUJFWSA-N 280.328 0.806 0 50 CCAA Cn1cc(CNCc2c(C(F)(F)F)cnn2C)nn1 657433121 VELBHRRZCQCOTF-UHFFFAOYSA-N 274.250 0.857 0 50 CCAA O=C(NC[C@H]1CNCCO1)c1ccnc(C2CC2)c1 569957603 OKOXMVCCOIJBAB-GFCCVEGCSA-N 261.325 0.677 0 50 CCAA C=CC(=O)N1CCN(c2ncccc2C(N)=O)CC1 791341710 UUOMVJVPZAZJLW-UHFFFAOYSA-N 260.297 0.015 0 50 CCAA Cn1ccnc1NC(=O)[C@@H](c1ccccc1)n1cnnn1 1529150774 APDMFYIPYSCPME-LLVKDONJSA-N 283.295 0.635 0 50 CCAA CN(C)C[C@H]1COCCN(Cc2ccnn2C)C1 1529172940 LBUGTSYFIFUXPG-GFCCVEGCSA-N 252.362 0.430 0 50 CCAA O=C(O)c1coc(NCCN2CCC[C@@H](CO)C2)n1 1529153776 VDZQVKPGNPYNBI-SECBINFHSA-N 269.301 0.489 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2O)n[nH]1 1529197866 YJRYHITVZBLKNF-PWSUYJOCSA-N 275.308 0.987 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1 617358 YDHWEEPSGQVJGO-NSHDSACASA-N 268.338 0.633 0 50 CCAA COC(=O)c1cc(C)nc(N2CC(N(C)C)C2)n1 241231256 KTJIQWGJNUJNJO-UHFFFAOYSA-N 250.302 0.322 0 50 CCAA O[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1Cc1cnccn1 1704341690 ZNGCYPPOWCPHJC-BXKDBHETSA-N 291.742 0.960 0 50 CCAA Cn1cnnc1CNC(=O)[C@@H]1NCCOc2ccccc21 1615615968 VUTKLRLTGXPCIC-CYBMUJFWSA-N 287.323 0.155 0 50 CCAA CCn1ncnc1CN1C[C@H](Cc2ccncc2)[C@@H](O)C1 1616077246 NFIUOWSPHMDQCB-KBPBESRZSA-N 287.367 0.728 0 50 CCAA CCC1CCN(S(=O)(=O)N2CC(n3ccnn3)C2)CC1 1614995564 OKPUKPCACLXGSG-UHFFFAOYSA-N 299.400 0.502 0 50 CCAA C[C@H](COc1ccccc1)N1C[C@H]2[C@H](C1)C2(CO)CO 1772816465 RNOJEZVUMMFNDG-SNPRPXQTSA-N 277.364 0.987 0 50 CCAA O=C(O)CCC(=O)NCCNC(=S)Nc1ccccc1 2703211 ZFMDCCPUFKKSOE-UHFFFAOYSA-N 295.364 0.954 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 239563076 SZDGAPWYJPRMQH-PUHVVEEASA-N 263.293 0.796 0 50 CCAA in-vitro CC(C)NC1CCN(C(=O)NC[C@@H]2COCCO2)CC1 408136515 FIRNRWZUCOHVRY-CYBMUJFWSA-N 285.388 0.574 0 50 CCAA O=C(c1ccc(-c2cnco2)cc1)N1C[C@H](O)C[C@H]1CO 331887998 HECQCXPLNMKZMD-QWHCGFSZSA-N 288.303 0.909 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CC[C@](C)(C(=O)O)C1 237718139 UGEVYVKSOHXFFF-AWEZNQCLSA-N 295.339 0.739 0 50 CCAA Fc1cnc(N2CCO[C@@H](Cn3cncn3)C2)nc1 676564690 MXPAEWDWHCBJCR-SNVBAGLBSA-N 264.264 0.113 0 50 CCAA CC(C)c1cccc(C(=O)N2CC[C@](O)(C(N)=O)C2)n1 367668120 AHBAWPDCSSFDDA-CQSZACIVSA-N 277.324 0.267 0 50 CCAA Cn1c(=O)c2ccccc2n1CC(=O)N1CCOCC1 931247257 NGASTXVUOFNDFO-UHFFFAOYSA-N 275.308 0.199 0 50 CCAA CN(C)[C@@H]1CN(CCc2ccccn2)C[C@@H]1n1ccnn1 859753898 UCZBUBCJKSSRAF-CABCVRRESA-N 286.383 0.703 0 50 CCAA C[C@H](C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1)S(C)(=O)=O 261741441 MTGFUVBIXPYLEZ-KGYLQXTDSA-N 296.392 0.373 0 50 CCAA CCCn1cnnc1CN1C[C@@H](C(=O)O)CC1=O 65370374 XHCNCEWQVIMBDG-QMMMGPOBSA-N 252.274 0.121 0 50 CCAA COC(=O)C[C@@H]1CN(C(=O)[C@H]2[C@@H](C)C2(F)F)CCO1 408233306 STLSCKHNPHDAOM-NQMVMOMDSA-N 277.267 0.678 0 50 CCAA N[C@@H](CCCNC(=O)c1ccc(C(F)(F)F)[nH]1)C(=O)O 2325876365 SMPXAFUTYZQRII-LURJTMIESA-N 293.245 0.955 0 50 CCAA CNC(=O)CCc1c(C)[nH]c(-c2ccncc2)nc1=O 1433601858 HJDHBUPZWVXYSI-UHFFFAOYSA-N 272.308 0.819 0 50 CCAA O=C1OC[C@H]2CN(Cc3cc(=O)n4ccsc4n3)C[C@@H]12 2356148125 INZSPYHQIFSNON-PSASIEDQSA-N 291.332 0.361 0 50 CCAA O=C(c1ccnc(O)c1)N1CCC[C@@]12CCCNC2=O 2356151976 JVPHDSQGNYVLMO-CQSZACIVSA-N 275.308 0.672 0 50 CCAA CCN1C(=O)CN(C)C(=O)c2c1sc1c2CCNC1 2356152989 LPQCGMNYLLRTON-UHFFFAOYSA-N 279.365 0.832 0 50 CCAA N[C@@H]1CC[C@@H](Nc2cncc(C(=O)N3CCOCC3)n2)C1 67642366 AMJJDIZGHXLFPD-GHMZBOCLSA-N 291.355 0.241 0 50 CCAA Cn1ccnc1-c1noc(C[C@@H]2CCCS(=O)(=O)C2)n1 349669878 DOWACMBIIPKHIP-VIFPVBQESA-N 296.352 0.837 0 50 CCAA CN(CCCn1cccn1)c1nc(N)c2cnn(C)c2n1 1506420668 JGXHGSRPZBPPMY-UHFFFAOYSA-N 286.343 0.669 0 50 CCAA CCN(CCCS(=O)(=O)N(C)C)CCn1cccn1 1506420326 CHNWXQJAUYGESQ-UHFFFAOYSA-N 288.417 0.487 0 50 CCAA CNC(=O)[C@@H]1CCCC[C@H]1NC[C@@H](O)C(F)(F)F 230186878 JPJXXHPIWOTLFD-IWSPIJDZSA-N 268.279 0.804 0 50 CCAA Cc1nc2ccc(NC(=O)c3nccnc3N)cn2n1 355392712 MGUVMCUREIWQKC-UHFFFAOYSA-N 269.268 0.662 0 50 CCAA CCn1nc(C)c(CCNC[C@]2(O)CCNC2)c1C 72476120 GGZMTXACGQHQDW-CQSZACIVSA-N 266.389 0.376 0 50 CCAA O=C(CN1CCC[C@@H](O)C1)NCCCc1ccccn1 216459215 GBMFFJPWDVQTFZ-CQSZACIVSA-N 277.368 0.587 0 50 CCAA COC[C@@H]1CN(c2ccc3nnnn3n2)CC(C)(C)O1 339061668 OAEVBFCISPVAED-VIFPVBQESA-N 278.316 0.150 0 50 CCAA Cc1ccoc1C(=O)N1CCNC[C@H]1C(=O)NC1CC1 72156554 NJNVKZBTQKROJG-NSHDSACASA-N 277.324 0.281 0 50 CCAA Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)no1 128205886 XCTXKEOPFRXTDN-QMMMGPOBSA-N 254.242 0.299 0 50 CCAA Cc1nc(C)c(F)c(=NCCN2C[C@@H]3CC[C@H](C2)O3)[nH]1 333677954 KLHCISRPSFRHMG-TXEJJXNPSA-N 280.347 0.930 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 261988618 SLQIEHOHCOZZPL-SZWDSURNSA-N 272.348 0.818 0 50 CCAA NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCO2 237807312 FGRMBNJWUXSBJE-KOLCDFICSA-N 298.364 0.821 0 50 CCAA CNC(=O)c1noc(CN2CCO[C@@H](C(F)(F)F)C2)n1 71551654 ZGUGRUAIINNWBA-ZCFIWIBFSA-N 294.233 0.192 0 50 CCAA C[C@@H]1CN(c2cc(NCC3CC3)ncn2)C[C@H]1C(N)=O 284496698 CTGDYXMGTBZIAY-MWLCHTKSSA-N 275.356 0.856 0 50 CCAA CCCC[C@H](NC(N)=O)C(=O)N1CCN(C)C[C@H]1C 239653724 BKXQIFXVQUBXDU-MNOVXSKESA-N 270.377 0.376 0 50 CCAA O=C(NC1(C(=O)O)CCOCC1)c1ccc2c(c1)OCO2 131739312 GAMVVPUTNILMIS-UHFFFAOYSA-N 293.275 0.779 0 50 CCAA Cc1cc(C(=O)N[C@@H](C)c2nc(N)n[nH]2)c(=O)n(C)c1C 426544761 LZSKWJZNFXGDCO-ZETCQYMHSA-N 290.327 0.193 0 50 CCAA NC1(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CCCC1 178195387 WTZMBAUMIAKKDO-VXGBXAGGSA-N 268.357 0.664 0 50 CCAA CS(=O)(=O)N[C@H]1CN(c2cccnn2)C[C@@H]1C1CC1 91594049 SZPDFXCFWALGGT-MNOVXSKESA-N 282.369 0.241 0 50 CCAA CCc1c(C)nc(N)nc1N[C@H]1CCS(=O)(=O)C1 95384374 DMRCZDCPVCJMNW-QMMMGPOBSA-N 270.358 0.529 0 50 CCAA Cn1cnc2cc(C(=O)N[C@H]3CCCCNC3=O)ccc21 97546550 CKFYXKSNFRKBME-NSHDSACASA-N 286.335 0.972 0 50 CCAA CNCCCNC(=O)c1cc(C)c(C)n(C)c1=O 97805572 ZZXZUDZOJSTPLF-UHFFFAOYSA-N 251.330 0.341 0 50 CCAA CN(Cc1ccoc1)C(=O)CN1CC[C@H](N(C)C)C1 244719220 LYVMCLZCFJCUMN-ZDUSSCGKSA-N 265.357 0.874 0 50 CCAA O=C1[C@H]2[C@H]3[C@@H]4[C@H]5[C@H](C(=O)[C@H]4[C@@H]2O)[C@@H]2C=C[C@@H]4[C@@H]1[C@H]3[C@@H]5[C@H]42 247703735 BUXVXPFIGQLURW-QONUNSBBSA-N 268.312 0.531 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@@]13CCCC[C@]53[C@H]42 248028001 KERNAUZBQLYRHV-UMBFPEEISA-N 271.320 0.510 0 50 CCAA CC(C)CN1C[C@H](C(=O)NCC2CCN(C)CC2)CC1=O 523377794 ZTSCQAISQUIAOJ-CQSZACIVSA-N 295.427 0.949 0 50 CCAA CN1C(=O)[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 250560681 CKMSWRIKDHFUHM-ZDEQEGDKSA-N 282.299 0.819 0 50 CCAA Cc1cccc(=O)n1CCC(=O)NC[C@@H]1CCOC1 534632999 STWUKGXGDPXCLI-LBPRGKRZSA-N 264.325 0.700 0 50 CCAA Cc1ccn2nc(C(=O)NC[C@H]3CN(C)CCO3)cc2c1 534663370 SZUCREQXHIUBND-ZDUSSCGKSA-N 288.351 0.703 0 50 CCAA CN1CCN(C)[C@@H](CNC(=O)CN(C)C2CCCC2)C1 823784320 JFAOAVPEZRRJHJ-AWEZNQCLSA-N 282.432 0.223 0 50 CCAA Cc1nncn1CCN1CCC2(CC1)CNC(=O)O2 828305089 BWQIPRYTHFSEGX-UHFFFAOYSA-N 265.317 0.161 0 50 CCAA O=C(NCCCN1CCCC[C@H]1CO)c1ncc[nH]1 828710756 AXIXVFDCYDAMHC-NSHDSACASA-N 266.345 0.376 0 50 CCAA O=C1NCCC[C@@H]1n1cnc2c(F)cccc2c1=O 584886179 BYVXQHUTTIJTDJ-JTQLQIEISA-N 261.256 0.987 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)CC2CCNCC2)C1 584891912 WLGJTUQURUMDIV-CQSZACIVSA-N 283.416 0.413 0 50 CCAA CC1(C)CNC(=O)[C@H]1N[C@@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32 952965243 ZVQKDYNKFBGDSN-HRRXFJGFSA-N 250.342 0.524 0 50 CCAA C[C@H]1CN(S(=O)(=O)C[C@H]2CCCCO2)C[C@@H]1C(=O)O 1857531962 WXOLXVRLUGENJG-AXFHLTTASA-N 291.369 0.538 0 50 CCAA O=C(O)COCCN1CCc2ccccc2[C@@H]1C(=O)O 1875290720 ABFMIHINQDTQKC-CYBMUJFWSA-N 279.292 0.772 0 50 CCAA O=C(Nc1cnn[nH]1)c1ccn([C@H]2CC2(F)F)n1 1875283713 BRSHVUCJXORDOQ-LURJTMIESA-N 254.200 0.834 0 50 CCAA O=C(O)[C@H](CCO)NC(=O)[C@@H]1CCCc2c(O)cccc21 1875354678 LEXRYAZYBYSOLU-NEPJUHHUSA-N 293.319 0.764 0 50 CCAA CC[C@@H](CNC(=O)c1nccn1C)N1CCN(C)CC1 952970648 WEOADSIRFKHTST-LBPRGKRZSA-N 279.388 0.176 0 50 CCAA CCn1cnnc1CN1CCN2C(=O)OC[C@]2(CC)C1 1857703444 MNOOKSBWWOKQDL-ZDUSSCGKSA-N 279.344 0.715 0 50 CCAA CCNC(=O)CNC(=O)[C@@H]1CC(=O)c2ccccc2O1 1775989093 CPDCMZNRGVVALV-LBPRGKRZSA-N 276.292 0.273 0 50 CCAA CN(C(=O)[C@@]12CCOC[C@@H]1CNC2)c1ccn(C)n1 1775960156 VORUIHCNDHVIEI-GXFFZTMASA-N 264.329 0.009 0 50 CCAA CCN(CC(=O)O)S(=O)(=O)c1ccc(COC)cc1 547909614 LQOLAALOWQCTJW-UHFFFAOYSA-N 287.337 0.928 0 50 CCAA C[C@H]1CCN(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)C1 408131713 HVYYXOKIFGKIFQ-JTQLQIEISA-N 289.401 0.303 0 50 CCAA CNC(=O)NC(=O)[C@H](C)N1CCN(C2CCC2)C[C@@H](C)C1 517006808 VBRVZSUESWJTJW-RYUDHWBXSA-N 296.415 0.637 0 50 CCAA Cc1cncc(CN2CCC[C@H](CNS(N)(=O)=O)C2)c1 189882495 HGMCYUUOMXUOEL-GFCCVEGCSA-N 298.412 0.395 0 50 CCAA COc1c[nH][nH]c1=NC(=O)N=c1ccc(C2CC2)n[nH]1 583650912 CPXRFZVVTMTDLK-UHFFFAOYSA-N 274.284 0.574 0 50 CCAA Cn1[nH]c(CN2CCC(NCC3CC3)CC2)nc1=O 647851162 MFQUDQCEQJLGCH-UHFFFAOYSA-N 265.361 0.072 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccncn1 194102981 QPCWPNVNKBZVIO-SNVBAGLBSA-N 277.328 0.855 0 50 CCAA Cc1n[nH]nc1C(=O)NCCN1CCc2ccccc2C1=O 194566016 RZFQLJGYFWFOSE-UHFFFAOYSA-N 299.334 0.541 0 50 CCAA O=C(NOC[C@H]1CCOC1)[C@H]1CSCCS1 788576366 UVMGTNYGJHIISS-DTWKUNHWSA-N 263.384 0.919 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@H]2CC[C@H](N)C2)c1C 213197179 SBAHOJLJQFZOQS-QWRGUYRKSA-N 250.346 0.955 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCCCc2cnn(C)c2)CC[C@@H]1O 1704313892 NDIYCKZGDSMVGI-HZSPNIEDSA-N 295.383 0.645 0 50 CCAA CN(CCN1CCOCC1)C[C@H]1CCC(=O)N(C)C1 1775982974 FTIAEEBDFGEFIW-CYBMUJFWSA-N 269.389 0.119 0 50 CCAA O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772703291 FGBPPVRPRKGHJS-CHWSQXEVSA-N 295.766 0.942 0 50 CCAA O=C(O)c1cnc(N2C[C@@H]3CNC[C@]3(CO)C2)c(Cl)c1 1772814943 VNLWYZKHPLRQEI-TVQRCGJNSA-N 297.742 0.451 0 50 CCAA CC1CCN(Cc2nnnn2CC(=O)NCC2CC2)CC1 15076501 VUULVFCUQXHZLF-UHFFFAOYSA-N 292.387 0.431 0 50 CCAA O=S(=O)(c1ccc(F)c(F)c1)N1CCOCC1 3186657 MQUHIJOZIFGSMT-UHFFFAOYSA-N 263.265 0.986 0 50 CCAA CO[C@H]1CCC[C@@H]1NC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1857527877 RIROUGIWXYDOJP-DRZSPHRISA-N 295.383 0.864 0 50 CCAA CCOC(=O)N1CCC[C@H](C(=O)N2CC(CC(N)=O)C2)C1 225439852 UUPXETSKXFOIAY-NSHDSACASA-N 297.355 0.189 0 50 CCAA COCCCNC(=O)C(=O)Nc1ccccc1F 2864729 UJGWFBHVKOZNEN-UHFFFAOYSA-N 254.261 0.917 0 50 CCAA O=C(O)C[C@H](NC(=O)[C@H]1COCCO1)c1ccc(F)cc1 262310382 NQEQKXWPOVUHOG-NWDGAFQWSA-N 297.282 0.873 0 50 CCAA COc1ccc(C(=O)N2CC[C@H](O)[C@H](CO)C2)cc1OC 396883249 FWOGIBYJPSEFCP-RYUDHWBXSA-N 295.335 0.519 0 50 CCAA O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCOCC1 12343480 INQJHIWNTOWWCU-LLVKDONJSA-N 266.341 0.636 0 50 CCAA COC[C@@H](O)CN(C)C(=O)c1c(Cl)c(C)nn1C 426474198 HFOUNKUFTQDRDD-QMMMGPOBSA-N 275.736 0.461 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 630253318 XOKXQTVEDLKHKH-BSTOTGJRSA-N 269.297 0.256 0 50 CCAA Cc1ncn(CCNC(=O)c2csc(N)n2)c1C 670441129 TXYDBSGCDMOFEY-UHFFFAOYSA-N 265.342 0.969 0 50 CCAA O=S(=O)(C1CC1)N1CCC(NCc2ncc[nH]2)CC1 674710980 QGILQENUKLUPQT-UHFFFAOYSA-N 284.385 0.456 0 50 CCAA O=C(NCC1COC1)c1n[nH]cc1-c1ccncc1 2325798143 QBUMCKHBZHYPAM-UHFFFAOYSA-N 258.281 0.848 0 50 CCAA C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1Cl 2994183 SSDMJSTULWRWJI-SSDOTTSWSA-N 256.689 0.776 0 50 CCAA Cn1ccnc1-c1ccc(N2C[C@H]3C(=O)OC[C@H]3C2)nn1 2356167049 RSWISBJPROTYPU-NXEZZACHSA-N 285.307 0.486 0 50 CCAA O=C(C[C@@H]1SCCNC1=O)NCc1ccccc1 4520287 LMZRJFCTIBKBAX-NSHDSACASA-N 264.350 0.925 0 50 CCAA CN(CCN1CCOCC1)C(=O)C[C@H]1CCCCNC1=O 225605640 UHKKRLRLHHRHPV-CYBMUJFWSA-N 297.399 0.083 0 50 CCAA CC(=O)N1CCC(N2C[C@H]3C[C@H](O)C[C@H]3C2)CC1 1857688390 HCXITJVNVMPSDE-IMRBUKKESA-N 252.358 0.700 0 50 CCAA OC[C@H](O)CN(CCCn1ccnc1)Cc1ccncc1 63870930 DWQVZDGMLQVRDO-OAHLLOKOSA-N 290.367 0.524 0 50 CCAA Cc1nn(CCO)c(C)c1[C@H]1NCCc2[nH]cnc21 67920629 GPIXBXDRWSFBHV-CYBMUJFWSA-N 261.329 0.450 0 50 CCAA O=C1C=CC(=O)N1c1cccc(N2C(=O)C=CC2=O)c1 96890 IPJGAEWUPXWFPL-UHFFFAOYSA-N 268.228 0.545 0 50 CCAA biogenic,in-vitro COC(=O)C(C(=O)Nc1ccc(C)cc1)C(=O)OC 71772867 IFVUSOXVPJMCBR-UHFFFAOYSA-N 265.265 0.896 0 50 CCAA CC[C@@]1(O)CCN(C(=O)CSc2ccncc2)C[C@H]1O 72473860 FXQSTTBRKAOCSE-TZMCWYRMSA-N 296.392 0.908 0 50 CCAA O=C(CCc1ccncn1)N[C@@H]1CN(c2ccccc2)C1=O 253432779 NZSAONPWSXAFQA-CQSZACIVSA-N 296.330 0.941 0 50 CCAA Cc1cc(C(=O)N2CCN[C@@H](C)C2)ccc1S(N)(=O)=O 155181670 IDDIBRVMQZCUOE-JTQLQIEISA-N 297.380 0.076 0 50 CCAA NC[C@H](NC(=O)[C@@H]1C[C@]12CCNC2)C1CCCC1 333646297 VCTXNSVZCWDBHY-OBJOEFQTSA-N 251.374 0.620 0 50 CCAA COc1cccc2c(=O)n(CCN3CCNCC3)cnc12 32598062 MIKHUOWGIOUIEY-UHFFFAOYSA-N 288.351 0.310 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)NC1(C(=O)O)CCC1 237718765 IVPPEYNUJRZDKW-UHFFFAOYSA-N 281.312 0.539 0 50 CCAA CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@@H](C2CC2)C1 334364232 MOXSHPPZCWKUGG-OLZOCXBDSA-N 266.341 0.492 0 50 CCAA Cc1nnc(CCNC(=O)[C@H]2CC(=O)N(C)C2(C)C)s1 218971038 ZKZHJHRKSFYLOJ-SECBINFHSA-N 296.396 0.762 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)NCCOc1ccc(Cl)cn1 262248711 LKLUZDLTHZHBCL-SKDRFNHKSA-N 299.758 0.607 0 50 CCAA C[C@H](O)CN1CCN(c2ncnc3c2CCC3)C[C@H]1C 239807530 CSSKSQMQYDESAU-NEPJUHHUSA-N 276.384 0.857 0 50 CCAA C[C@]1(C(=O)N2CCN(Cc3nnc[nH]3)CC2)CCCO1 219311436 VUTQEDJNNOSDGF-CYBMUJFWSA-N 279.344 0.018 0 50 CCAA CC[C@@H]1[C@H](NC(=O)Cn2ccnn2)[C@@H]2CCO[C@@H]21 223068088 OGQRFSFLKJFLFF-LLHIFLOGSA-N 250.302 0.208 0 50 CCAA CC(=O)N[C@H](C(=O)NCCc1nc(C)cc(C)n1)C(C)C 221358514 IYEGQFXXEFEZBG-AWEZNQCLSA-N 292.383 0.913 0 50 CCAA Cc1cccc(CS(=O)(=O)N[C@@H]2CC(=O)N(C)C2=O)c1 287138356 BEOLJAXAQAOSJO-LLVKDONJSA-N 296.348 0.172 0 50 CCAA O=C(CCn1nnc2ccccc21)N[C@@H]1COCC[C@H]1O 223488257 MGIPXQWNYXHXRB-DGCLKSJQSA-N 290.323 0.087 0 50 CCAA Cc1noc(CN2CC(=O)N(C)c3ccccc3C2=O)n1 95531579 HQKKVWYLUDVGKD-UHFFFAOYSA-N 286.291 0.997 0 50 CCAA CCn1c(C)ccc(C(=O)NCCc2ncnn2C)c1=O 426362093 VNATVQWHLWLEDK-UHFFFAOYSA-N 289.339 0.278 0 50 CCAA COc1ccc2c(=O)n(C[C@@H](O)CO)ccc2c1OC 95521395 WRNJRTKJLZKIQD-SECBINFHSA-N 279.292 0.372 0 50 CCAA Cn1ccnc1CN1C[C@H](CO)[C@H](CN2CCCC2)C1 91974213 XVMUAJVEZBBDSC-ZIAGYGMSSA-N 278.400 0.556 0 50 CCAA CC(C)CS(=O)(=O)N1CCC(NC(=O)N(C)C)CC1 181473065 FRFQKTHHHVVWEV-UHFFFAOYSA-N 291.417 0.708 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](O)CC2)C1 584892441 NZCMOLWUMGOFDW-SDDRHHMPSA-N 268.357 0.522 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)c2ccn(C)c2C)C1 670452574 DOOLOPGWWIOGJQ-NSHDSACASA-N 263.341 0.932 0 50 CCAA Cc1cnc(Cn2cc(O[C@@H]3COC[C@@H]3N)cn2)o1 685941960 FJYHOUFHOZKICL-WDEREUQCSA-N 264.285 0.333 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@@H](O)[C@H](C2CC2)C1 1875274679 QWZUNIHATCGDDM-CMPLNLGQSA-N 289.335 0.903 0 50 CCAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@@H]1CCc2nccn2C1 1875311049 LFMJIPLYUXDGQI-ZIQFBCGOSA-N 289.335 0.671 0 50 CCAA NC(=O)C[C@@H]1CN(C(=O)c2ccn3c2CCCC3)C[C@H]1O 1875403203 RRYWNWHZTBVNNR-ZWNOBZJWSA-N 291.351 0.133 0 50 CCAA CC(=O)c1c(C)nn(CC(=O)NCCn2ccnn2)c1C 952868628 BUJLVTHVADWEJK-UHFFFAOYSA-N 290.327 0.110 0 50 CCAA CN(C(=O)[C@@H]1CCCO[C@H]1c1ncc[nH]1)C1CC(O)C1 886088110 LJCZWGVFLRDDAL-KIDURHIOSA-N 279.340 0.859 0 50 CCAA O=C(c1cn[nH]c1)N1CCOc2ccccc2[C@@H]1CO 887109599 OTBPOKZLQLRXIA-LBPRGKRZSA-N 273.292 0.978 0 50 CCAA O=C(COc1ccc(F)cc1)N1CC(N[C@@H]2CCOC2)C1 1412711340 WJPRCXMMRAJSBI-GFCCVEGCSA-N 294.326 0.794 0 50 CCAA CO[C@@H]1COC[C@@H]1NC(=O)N1CCC[C@H]1C(F)F 1343525500 LWJUDUOFSOGJRX-XHNCKOQMSA-N 264.272 0.839 0 50 CCAA CC(C)[C@]1(C(=O)O)C[C@@H]1C(=O)NC[C@@H]1CCOC1 899799991 UZHNIZVJPSIJEJ-OPQQBVKSSA-N 255.314 0.886 0 50 CCAA CO[C@]1(C)C[C@@H](N(C)C(=O)CCc2nn[nH]n2)C1(C)C 631571106 YMDICMCRKMXORL-NOZJJQNGSA-N 281.360 0.794 0 50 CCAA CCCN1C[C@H](C(=O)N2CC(OC(F)F)C2)CC1=O 412267029 FZJNZXYKFMHTAG-MRVPVSSYSA-N 276.283 0.695 0 50 CCAA Cn1ncc2c(N3CC[C@@](O)(Cn4ccnn4)C3)ccnc21 671466587 NECTUSYHAJNKOQ-AWEZNQCLSA-N 299.338 0.201 0 50 CCAA CC(=O)N1CC(C(=O)NCc2cccc3c2OCO3)C1 188297394 AWSKQHKBPFXQAW-UHFFFAOYSA-N 276.292 0.510 0 50 CCAA CC1=NO[C@H](CNS(=O)(=O)c2c(C)nn(C)c2C)C1 585114472 CLRXHSBWVAUJLU-JTQLQIEISA-N 286.357 0.480 0 50 CCAA Cc1nccn1CCN1CCC[C@](O)(CC(=O)N(C)C)C1 643812887 VVEVTIHUHHRFII-HNNXBMFYSA-N 294.399 0.497 0 50 CCAA O=C(Cc1ccon1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644071170 YEZQGNCONKNJAD-UPJWGTAASA-N 279.340 0.321 0 50 CCAA CN(CC(=O)N(C)C)Cc1nc2ccccc2c(=O)n1C 192564017 KMESKRYSIDQLQD-UHFFFAOYSA-N 288.351 0.454 0 50 CCAA Cn1nccc1[C@H](NC(=O)[C@@H](O)C1CCCCC1)C(=O)O 647769996 SSIYXACXJPLEEG-RYUDHWBXSA-N 295.339 0.603 0 50 CCAA NC[C@@H](NC(=O)[C@H]1CNCCO1)c1ccc2ccccc2c1 193405592 NKQWGUIULYSPNU-HZPDHXFCSA-N 299.374 0.944 0 50 CCAA O=C(O)CSCC(=O)N1CCC[C@@H](Cn2ccnn2)C1 567235064 YXWJKCCQJFXHOO-SNVBAGLBSA-N 298.368 0.335 0 50 CCAA CN(C)c1nccc(=NC[C@@H](CO)[C@H]2CCOC2)[nH]1 571349489 YFYDIJYFMDEOOU-QWRGUYRKSA-N 266.345 0.021 0 50 CCAA O=C(O)c1cccc(CCNS(=O)(=O)c2ccoc2)n1 572265125 ILXJRESRSFLBDJ-UHFFFAOYSA-N 296.304 0.894 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)C2(NC3CC3)CCC2)[C@H]1OC 662808418 KVLMBWHYTJIKCQ-JHJVBQTASA-N 282.384 0.970 0 50 CCAA O=C1CC[C@H](NCCCc2nn[nH]n2)CCN1CC1CC1 1506404384 XLIDRNNVENXWRQ-LBPRGKRZSA-N 292.387 0.513 0 50 CCAA O=C(O)[C@@H]1OCC[C@@H]1CNC(=O)C1(c2cccnc2)CC1 1602201939 GTLBHCZUZCQFKE-ZYHUDNBSSA-N 290.319 0.719 0 50 CCAA CCn1ncc(CNC(=O)[C@H]2C[C@@H]3[C@H](N)C[C@H]3C2)n1 1615545788 IVOHWYMNZFLZNC-PKZYVASSSA-N 263.345 0.288 0 50 CCAA C[C@@H]1CC[C@@H](CCC(=O)N2CCO[C@@H](C(=O)O)C2)O1 263066441 YXXYTBWJIZWYNL-OUAUKWLOSA-N 271.313 0.646 0 50 CCAA O=C1CO[C@@]2(CCN(C(=O)c3ccc(F)cc3F)C2)CN1 1772804274 KUQISOSMHNFBJM-AWEZNQCLSA-N 296.273 0.696 0 50 CCAA COc1ccc(S(=O)(=O)NCCN(C)C)cc1F 20453125 HOCZDJONXCOSRZ-UHFFFAOYSA-N 276.333 0.674 0 50 CCAA COc1ccc(CCN2C[C@H](NC(C)=O)CC2=O)cc1 12207656 JVJKIWXIHPUMNQ-CYBMUJFWSA-N 276.336 0.975 0 50 CCAA O=C(NCc1ccncc1)c1ccc(-n2cnnn2)cc1 12325150 JZKQMSYFSDFOST-UHFFFAOYSA-N 280.291 0.987 0 50 CCAA Cc1[nH]nc(CCC(=O)N2CC[C@H](CO)[C@@H](O)C2)c1C 1857718999 ARRXFHSNXIXWJD-YPMHNXCESA-N 281.356 0.161 0 50 CCAA O=C(N=c1[nH]c(N2CCOCC2)ncc1F)c1ccno1 1875246455 HZHCABYNQGLLOU-UHFFFAOYSA-N 293.258 0.115 0 50 CCAA C[C@H](C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)N(C)C 585121225 IZKRPWGZVVBMJG-DGCLKSJQSA-N 281.400 0.701 0 50 CCAA CN1CCO[C@@H]2CN(C(=O)c3nccc4cccnc34)C[C@@H]21 822585195 WPZDQKODJCNDQR-QWHCGFSZSA-N 298.346 0.785 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(COC[C@H](C(=O)O)O2)C1 1857783383 JJLFIJNUCLZNAK-RNCFNFMXSA-N 287.312 0.866 0 50 CCAA COc1ccc(S(=O)(=O)NCCN(C)C)cc1 6378908 YPBWSZAUFXOKAV-UHFFFAOYSA-N 258.343 0.535 0 50 CCAA O=C1CCCN1CCN(C[C@H]1CCCN1)C1CC1 328603713 GYPALIQQUIXMTK-GFCCVEGCSA-N 251.374 0.825 0 50 CCAA CSC[C@H](NC(=O)c1c(C)ncnc1C)C(=O)O 534586662 JEJMIVGRAOVHAO-QMMMGPOBSA-N 269.326 0.639 0 50 CCAA O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccnn1 701815129 QDWQGGHCKGOOCQ-OLZOCXBDSA-N 255.277 0.865 0 50 CCAA CSCCN1CCN(C(=O)c2cccc(N)n2)CC1 584885656 OHVHXDUUJKHMHT-UHFFFAOYSA-N 280.397 0.785 0 50 CCAA CCn1nccc1S(=O)(=O)N1CC=CC[C@H]1C(=O)O 2325790630 ZBVWWNBARYTRPZ-VIFPVBQESA-N 285.325 0.307 0 50 CCAA CN1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC1 201643 XKZDSAVFHPKHNV-QWRGUYRKSA-N 254.330 0.651 0 50 CCAA Cc1nnc2n1C[C@H](CNC(=O)c1cccc3ncnn13)C2 2356148606 ILXUZBFWPQYWMV-JTQLQIEISA-N 297.322 0.232 0 50 CCAA C[C@@](NC(=O)Cc1cc[nH]n1)(C(N)=O)c1ccccc1 345756451 BJFZYTVAEYQFSV-AWEZNQCLSA-N 272.308 0.469 0 50 CCAA Cc1n[nH]c(SCCNC(=O)c2cc(C)[nH]n2)n1 20137401 FIYOWYFNLNSEDN-UHFFFAOYSA-N 266.330 0.667 0 50 CCAA CCN1CCC[C@@H](Nc2nc(N)c3cnn(C)c3n2)C1 302567789 PGSQQCMPFFKEKH-SECBINFHSA-N 275.360 0.842 0 50 CCAA COCCN1CCC[C@](O)(CNCc2ccsc2)C1=O 67692536 CCPFZPBFXWHOSH-AWEZNQCLSA-N 298.408 0.838 0 50 CCAA O=C(NCCN1CCCS1(=O)=O)c1cc(Cl)c[nH]1 147773924 GJTGPIXQDCKLEX-UHFFFAOYSA-N 291.760 0.433 0 50 CCAA CCN(Cc1noc(C2CCC2)n1)C(=O)[C@H]1CNCCO1 72171325 XMWFGZDOVPBAPM-LLVKDONJSA-N 294.355 0.674 0 50 CCAA COCCn1nnc2c1CCN(C(=O)C1[C@@H]3CCC[C@@H]13)C2 329268481 GLMVCUYZUVHEBP-GHMZBOCLSA-N 290.367 0.855 0 50 CCAA NC(=O)c1ccccc1CC(=O)N1CC[C@@](O)(C2CC2)C1 365876182 IYPWUUCBPIFWME-INIZCTEOSA-N 288.347 0.701 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc[nH]1 219144513 IJABWEAUEAGKBM-SPFNVWMYSA-N 250.298 0.794 0 50 CCAA O=C1C[C@@H](C(=O)N2CCCO2)CN1Cc1ccccn1 155736856 ASXYCSDWUGCHKR-LLVKDONJSA-N 275.308 0.594 0 50 CCAA O=C1NCCc2ccc(S(=O)(=O)Nc3cnoc3)cc21 604737368 JSHKKCLJIJKXQW-UHFFFAOYSA-N 293.304 0.761 0 50 CCAA O=C1NCCCC[C@@H]1CC(=O)N(CCO)C1CC1 373065492 HMZJGWFIWAWWRS-SNVBAGLBSA-N 254.330 0.276 0 50 CCAA O=C1NC2(CCNCC2)C(=O)N1Cc1cncs1 77321619 YHBZYSGJYNOTRH-UHFFFAOYSA-N 266.326 0.317 0 50 CCAA CCc1nccn1CCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 77506137 JZSRQZASDLDAHR-QWHCGFSZSA-N 276.384 0.998 0 50 CCAA CCn1ccnc1C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 291587887 HCQAGINSXAKASK-VXGBXAGGSA-N 278.356 0.448 0 50 CCAA CC1(C)CC(N[C@H]2CNCC[C@H]2O)CC(C)(C)N1 426535269 WFIMJFCRDKGZFP-NWDGAFQWSA-N 255.406 0.608 0 50 CCAA O=C(O)CCN1CCN(C(=O)c2n[nH]cc2Cl)CC1 426690336 RGRTXJXDPNBTRO-UHFFFAOYSA-N 286.719 0.296 0 50 CCAA Cc1noc(CN2CCN(C(=O)[C@H]3CC[C@H](N)C3)CC2)n1 237689646 NRSYMXGGPDSQGD-RYUDHWBXSA-N 293.371 0.150 0 50 CCAA CN(Cc1ccoc1)C(=O)CN1C(=O)OC(C)(C)C1=O 95503821 NLYHPUZOTOVTAF-UHFFFAOYSA-N 280.280 0.995 0 50 CCAA CO[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1c1cnn[nH]1 622168143 SZEWDNUSZASFDU-JOYOIKCWSA-N 291.286 0.593 0 50 CCAA Cc1nc[nH]c1C(=O)NCC[C@@H](C)N1CCN(C)CC1 534589177 XBYMMPIQGBIHIP-LLVKDONJSA-N 279.388 0.474 0 50 CCAA Cc1nnnn1CCC(=O)NCC1(C(C)C)CC1 534651214 ROAABKOLHJEFOP-UHFFFAOYSA-N 251.334 0.924 0 50 CCAA CCC1(CC)CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 446655020 ZJRBLKNNFLIMQF-LBPRGKRZSA-N 297.399 0.795 0 50 CCAA CCCN1C(=O)N[C@H](CC(=O)NC(C)(C)COC)C1=O 534666203 XEFZVCMAYHTQSA-SECBINFHSA-N 285.344 0.248 0 50 CCAA CC(C)n1cnnc1CN(C)CCC(=O)NC1CC1 299758003 MHJILCSXPPFTRO-UHFFFAOYSA-N 265.361 0.960 0 50 CCAA Cc1nc(N)sc1C(=O)NCCN1CCC[C@@H](CO)C1 584897812 SBIVXCMAQWYHMW-SNVBAGLBSA-N 298.412 0.468 0 50 CCAA CC[C@@H](OC)C(=O)N1CCN(CCSC)CC1 584893064 GLXOJLONZLNUOK-LLVKDONJSA-N 260.403 0.919 0 50 CCAA C[C@]1(C(=O)NCc2cnc3cnccn23)CCCNC1 584903243 XNRBMJXXXBVHAB-AWEZNQCLSA-N 273.340 0.735 0 50 CCAA CC[C@H](NC(=O)c1cnn2c1NC[C@H](C)C2)C(=O)NC 1548717009 ZBHAWONYHZEGSD-WPRPVWTQSA-N 279.344 0.199 0 50 CCAA O=C(CCc1ncc[nH]1)N[C@@H]1CS[C@H](C(=O)O)C1 1875300986 ZETVTVMPLSDCHO-YUMQZZPRSA-N 269.326 0.417 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)CCN1C(=O)COCc1ccccc1 209886086 RQVZNWBHOVNSMK-OLZOCXBDSA-N 293.319 0.640 0 50 CCAA COCCN(CCOC)C(=O)[C@@H]1CCn2nccc2C1 1857697931 BLAQLWXTXGBFEP-GFCCVEGCSA-N 281.356 0.567 0 50 CCAA CCc1cn(Cc2nnnn2CC2CCOCC2)cn1 1363755520 CJXZFVAFUSRFEI-UHFFFAOYSA-N 276.344 0.907 0 50 CCAA COC(=O)[C@]1(C)CCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 407960278 VJVQZRUANFRKTQ-IAQYHMDHSA-N 296.367 0.847 0 50 CCAA O=C(NCc1nnc2n1CCCC2)[C@H]1CCSC1 408300584 ITBXYAMCECXUFS-VIFPVBQESA-N 266.370 0.984 0 50 CCAA CCOC1CC(O)(CNC(=O)Nc2cc(OC)ncn2)C1 278109940 KJOSGIHQMMQNNJ-UHFFFAOYSA-N 296.327 0.537 0 50 CCAA CC(=O)CCCC(=O)O[C@H](C)CNS(C)(=O)=O 170609492 DOXLEQWEHKDWOI-SECBINFHSA-N 265.331 0.227 0 50 CCAA CN(C)[C@@H]1C[C@H](N=c2nc(O)c3cnn(C)c3[nH]2)C1(C)C 585092373 SUEHOUYZSSTKNL-VHSXEESVSA-N 290.371 0.631 0 50 CCAA CSC[C@H](C)C(=O)NCCN1CCC2(C1)OCCO2 585131416 VLWQBOIQBSXIPU-NSHDSACASA-N 288.413 0.551 0 50 CCAA CCOC(=O)CN[C@@H]1CC(=O)N(c2ccccc2)C1 194297738 HDZPIGNFRVZXRT-LLVKDONJSA-N 262.309 0.945 0 50 CCAA Cc1cnc(N2CC[C@H](n3cc(C(=O)O)nn3)C2)nc1C 579582165 NTBKWHBRSOUXOO-JTQLQIEISA-N 288.311 0.835 0 50 CCAA CC1=C(C(=O)N2CCOC[C@@H](CN(C)C)C2)OCCO1 1506413136 GYTVAJUQQUZQFT-LBPRGKRZSA-N 284.356 0.301 0 50 CCAA OC[C@H](O)C1CCN(c2cc(-n3cccn3)ncn2)CC1 1772816397 LJKGLBCPSABBJE-LBPRGKRZSA-N 289.339 0.232 0 50 CCAA COc1ccc(-n2nnnc2SCCO)cc1 2868920 KRYTWSXDQBVYAO-UHFFFAOYSA-N 252.299 0.755 0 50 CCAA CNS(=O)(=O)c1cc(C(=O)NC2CC2)ccc1OC 6697471 KYYBTDDJZSMYGE-UHFFFAOYSA-N 284.337 0.496 0 50 CCAA O=C(NC1CC1)[C@@H]1CCCN1c1cc(=O)n2ccccc2n1 134896267 VXJYIXRNBCLRJQ-LBPRGKRZSA-N 298.346 0.942 0 50 CCAA Cc1ccnc(Cn2nnc(C(C)(C)S(C)(=O)=O)n2)c1 901740521 ALTBTEOTJWYRMW-UHFFFAOYSA-N 295.368 0.705 0 50 CCAA O=S1(=O)CCC[C@@H](N=c2nc[nH]n3cccc23)C1 1875288533 KHAHXQAYORTVQA-SECBINFHSA-N 266.326 0.140 0 50 CCAA CC1(C)CNC(=O)[C@@H]1NCc1noc(C2CCC2)n1 931651141 GMPKQPWSCJYBIY-JTQLQIEISA-N 264.329 0.951 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(CNC(=O)CCN2)C1 2325712152 XQVMNVKTUHZXND-ZDUSSCGKSA-N 269.345 0.476 0 50 CCAA COc1cnc(CNC(=O)c2cnc3n2CCC3)nc1 2325802479 JNJWMOFRKYSMIH-UHFFFAOYSA-N 273.296 0.558 0 50 CCAA NC(=O)C1(N)CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 2325865682 MERIWCJHDQXYDX-UHFFFAOYSA-N 299.378 0.855 0 50 CCAA Cn1ccn2ncc(C(=O)NCc3cccc4ncnn34)c12 2356137140 GXOJZMQHFSMRJQ-UHFFFAOYSA-N 295.306 0.646 0 50 CCAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ncccc1F)C2 2356147891 WHEPFCQSWRMWJH-XPTSAGLGSA-N 294.282 0.482 0 50 CCAA O=C(NCc1cccnc1)C(=O)Nc1ccccn1 2903097 WJOOGJMKBWHVNZ-UHFFFAOYSA-N 256.265 0.732 0 50 CCAA C[C@@]1(NC(=S)Nc2ccccn2)CCS(=O)(=O)C1 4107589 BPQFXSSMIBGPQJ-LLVKDONJSA-N 285.394 0.945 0 50 CCAA O=C(NCCNC(=O)c1ccccn1)c1cccnc1 4867915 CRTAKJRUOLHVCC-UHFFFAOYSA-N 270.292 0.636 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)COCCc2ccccc2)C1 345290433 VGCWHHOOBFQLSM-LSDHHAIUSA-N 293.363 0.854 0 50 CCAA COc1cc(CC(=O)O)ccc1OS(C)(=O)=O 25663303 FCNXTQMHGROLJP-UHFFFAOYSA-N 260.267 0.661 0 50 CCAA CC(C)N1CCC[C@H](N[C@H]2C(=O)NCC[C@H]2C)C1=O 249552231 LEUFXQDKGCAWTM-GRYCIOLGSA-N 267.373 0.500 0 50 CCAA Nc1nccnc1C(=O)Nc1cccc(-n2ccnn2)c1 120157515 HXZMDRXNZCGGCG-UHFFFAOYSA-N 281.279 0.892 0 50 CCAA CCC[C@@](C)(O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 331655911 OHFZVWNGGJQBKW-CYBMUJFWSA-N 297.355 0.080 0 50 CCAA CCN1CCO[C@H](C(=O)N2CC[C@@H](N3CCCC3)C2)C1 363173729 KQJNFOBWLGASHA-KGLIPLIRSA-N 281.400 0.404 0 50 CCAA COCc1nc(C(=O)N2CCOC[C@]23CCOC3)cs1 333047349 GJLBFZHMZZTUHH-CYBMUJFWSA-N 298.364 0.921 0 50 CCAA Cc1nc(C(C)(C)NC(=O)[C@@H]2CC[C@H](CN)O2)no1 261645051 DUHHTFLDHKKCNT-BDAKNGLRSA-N 268.317 0.236 0 50 CCAA CNS(=O)(=O)[C@@H]1CCN(C(=O)c2[nH]ccc2C)C1 373817768 CCUSXUMFSLUKOX-SECBINFHSA-N 271.342 0.087 0 50 CCAA Cn1nccc1/C=C/C(=O)N1CCOC[C@H]1CC(=O)O 129441865 ZJZZUBVTNJBNHZ-KXMPLOMGSA-N 279.296 0.135 0 50 CCAA CCCN(C)S(=O)(=O)NC[C@@H]1CCC[C@H]1O 239722545 CDEVZTHDSXZGLP-VHSXEESVSA-N 250.364 0.324 0 50 CCAA O=C1[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1 222191382 KZLYJYOGHUSRFA-YXMPFFBPSA-N 271.272 0.492 0 50 CCAA CC[C@H](NC(=O)CNC(=O)N(C)C)c1cnn(C)c1 221339510 BLDKVLXRRYUJIV-JTQLQIEISA-N 267.333 0.259 0 50 CCAA O=C(O)CCNC(=O)C1(N2CCCC2)CCCC1 426361899 GMZMSSXZXLZHHN-UHFFFAOYSA-N 254.330 0.986 0 50 CCAA CN(Cc1ccon1)C(=O)CN1C(=O)OC(C)(C)C1=O 95499353 YGOSWDKMTAEKCD-UHFFFAOYSA-N 281.268 0.390 0 50 CCAA C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@]1(O)C1CCC1 91649752 LHNBVMGMKPOMJF-MFKMUULPSA-N 289.397 0.431 0 50 CCAA CO[C@H]1CCN(CC(=O)Nc2cn(C)nc2C)C1 244602027 DWHJOGBMPUGETQ-JTQLQIEISA-N 252.318 0.388 0 50 CCAA CC(C)(C)c1nsc(N2CCC([C@H](O)C(N)=O)CC2)n1 299751836 RYIAGRYBBPUVRV-VIFPVBQESA-N 298.412 0.898 0 50 CCAA CN(C)C(=O)C1=CN2C=CC=C(Br)[C@H]2N1 255188356 JNDGTLFHSDFQGU-VIFPVBQESA-N 270.130 0.953 0 50 CCAA CCN(CC)C(=O)C1CCN(C[C@H]2COCCO2)CC1 823043453 WELXPFPYTDUAAI-AWEZNQCLSA-N 284.400 0.982 0 50 CCAA O=C(NCCCN1CCC[C@H](CO)C1)c1cccc(O)n1 828711213 RDKJYRZOJJKNGR-LBPRGKRZSA-N 293.367 0.611 0 50 CCAA O=C(CN1CCOC1=O)N1CCC(C2(O)CC2)CC1 824175250 SCWDUMLXOABGOS-UHFFFAOYSA-N 268.313 0.202 0 50 CCAA O=C(C[C@@H]1CCOC1)N1CCC(N2CCOCC2)CC1 584884920 VPXDQQBJBDZHHB-ZDUSSCGKSA-N 282.384 0.736 0 50 CCAA OC1(CN2CCCC2)CCN([C@H]2CCOC2)CC1 828605399 WTMRKQLXUXWMGL-ZDUSSCGKSA-N 254.374 0.698 0 50 CCAA COc1nc(N2C[C@@H]3CCC[C@H](C2)C(=O)N3)ncc1F 670453386 ATRATPIOLCWGHZ-BDAKNGLRSA-N 280.303 0.729 0 50 CCAA CC(C)c1nnc(N2CCO[C@@H](C(=O)N(C)C)C2)s1 670473452 SDBWPYAVCJYUAC-SECBINFHSA-N 284.385 0.955 0 50 CCAA N[C@@H]1CCCN[C@@H]1[C@H]1CC[C@@H](C(F)(F)F)NC1 757216169 YFGVXXOHRSIJNX-QCLAVDOMSA-N 251.296 0.996 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)c2cnc[nH]2)[C@H](C)C1 1875252199 RGVRLJCEAFTXTF-PSASIEDQSA-N 250.302 0.396 0 50 CCAA CCCC[C@@H]1C(=O)N(C)CCN1S(=O)(=O)N(C)C 952971218 FYGVBIIXLLDSBL-SNVBAGLBSA-N 277.390 0.126 0 50 CCAA CN1C[C@@H]2CCN(C(=O)NCc3ccccn3)[C@@H]2C1 891427485 SWGOHNVNQCJHKF-WCQYABFASA-N 260.341 0.927 0 50 CCAA COc1ncnc(N2CCN3C(=O)CC[C@@H]3C2)c1OC 1149603032 UWFRISVAZAPGQR-SECBINFHSA-N 278.312 0.305 0 50 CCAA O=S(=O)(C[C@@H]1CCOC1)NC1CN(c2ccccn2)C1 1775991181 QCOLUNNFSUBWTD-LLVKDONJSA-N 297.380 0.226 0 50 CCAA COC(=O)NCCC(=O)N1CC(c2nc(C)no2)C1 1320783081 INBGSFNSJOUZKT-UHFFFAOYSA-N 268.273 0.050 0 50 CCAA Cc1cccc(CS(=O)(=O)N2CCOC[C@@H]2C(=O)O)c1 275140158 QDTYICICVJDNFU-GFCCVEGCSA-N 299.348 0.610 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H](c2cncn2C)N(C)C)C[C@@H](C)O1 280730718 IOFBQGVDPIWYQB-NQBHXWOUSA-N 280.372 0.659 0 50 CCAA CCCCCOCC(=O)N(C)[C@@H](C(=O)OC)[C@H](C)O 585089922 NUXGVAQBFCAYEY-CMPLNLGQSA-N 275.345 0.574 0 50 CCAA CON(C)CCNC(=O)CNC(=O)c1ccc(F)cc1 585079610 ORZNJHRCCLSJHM-UHFFFAOYSA-N 283.303 0.165 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1C[C@H](C)N(C)C[C@H]1C 585135441 KBCWJERAMPPBMS-NWDGAFQWSA-N 267.373 0.572 0 50 CCAA C[C@]1(C(=O)Nc2ccc3c(c2)CCN3)CNCCO1 637818965 OJFUDJWXHQUWIM-CQSZACIVSA-N 261.325 0.972 0 50 CCAA O=C(Cc1cncs1)N1CCC[C@@H](OCCO)C1 188573767 ZMMMHNSNGCCNDI-SNVBAGLBSA-N 270.354 0.686 0 50 CCAA COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)NC1CC1 191166871 CQEACCCYZUAHMJ-CDMKHQONSA-N 266.341 0.539 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)NCCc1ccc[nH]1 644412533 JXQRFWMWSSIMGK-GFCCVEGCSA-N 279.340 0.047 0 50 CCAA CC1(C(N)=O)CN(C(=O)Cn2ccc(=O)c3ccccc32)C1 566277992 CBUCZXOKEQGALK-UHFFFAOYSA-N 299.330 0.335 0 50 CCAA COCc1ncc(C(=O)N2[C@H]3COC[C@H]2C3)s1 579223990 GBUSUBMZZLFKSJ-HTQZYQBOSA-N 254.311 0.903 0 50 CCAA CO[C@@H]1C[C@H](C(=O)N(C)Cc2c[nH]nc2C)CC[C@@H]1O 1704303654 NGDDNTNVSWUPEL-KGYLQXTDSA-N 281.356 0.853 0 50 CCAA CC1(C)OC[C@@H]2CNC[C@]21C(=O)NCc1ccc(O)nc1 1616038761 JYWFPJXJPUUCHN-XHDPSFHLSA-N 291.351 0.418 0 50 CCAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CCCC1 617872579 PBTSBNFPCCRPLZ-UWVGGRQHSA-N 261.343 0.105 0 50 CCAA CCn1ccc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)n1 1616075314 BNLQATNBQBBQJR-WFASDCNBSA-N 287.367 0.728 0 50 CCAA COC(=O)C1(CNC(=O)C2(C(=O)N(C)C(C)C)CC2)CC1 521396329 MREVGINGMHSYAP-UHFFFAOYSA-N 296.367 0.703 0 50 CCAA COCCN1CCCN([C@@H](C(=O)O)C2CC2)CC1=O 635017914 WIDOGPNXZBVLGL-GFCCVEGCSA-N 270.329 0.030 0 50 CCAA CC(C)(C)N1CC[C@@H](N2CCS(=O)CC2)C1=O 335117035 AUMZHNSTJPSYJS-SNVBAGLBSA-N 258.387 0.450 0 50 CCAA COCc1nsc(N2CCC(C(=O)O)CC2)n1 570931252 IJGIEUZSPKKZTM-UHFFFAOYSA-N 257.315 0.986 0 50 CCAA O=C(CSc1nnc(O)[nH]c1=O)c1ccccc1 18212086 OWMOXLXHCHCCRB-UHFFFAOYSA-N 263.278 0.846 0 50 CCAA CN[C@@H](C(=O)N1CCOC(C)(C)C1)c1cnn(C)c1 262282460 XIMOPZBZHCRCDV-LLVKDONJSA-N 266.345 0.318 0 50 CCAA CN(Cc1cnn(C)c1)C[C@@H]1CCC(=O)N(C)C1 1772814682 NOBDQIWDNWCLOH-NSHDSACASA-N 250.346 0.720 0 50 CCAA CCc1nccn1CCC(=O)N1CCOC[C@@H](C(=O)O)C1 1775982519 WNBHPYINLMOQPR-NSHDSACASA-N 295.339 0.395 0 50 CCAA O=C(NCc1ccccn1)c1ccc(-n2cnnn2)cc1 12321391 XDVPVNDFTDIMKJ-UHFFFAOYSA-N 280.291 0.987 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCc2cccc3[nH]ccc23)C[C@H]1O 1857725450 XNONOWLUTPYMMS-ZKYQVNSYSA-N 273.336 0.882 0 50 CCAA COc1cccc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1C 1875244781 USGMYVOLRAVPQU-HBJVGIJOSA-N 293.319 0.261 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cc(C)ncn1 643822628 YNJGVCRSQPWPJQ-ZDUSSCGKSA-N 264.329 0.251 0 50 CCAA C[C@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@@H]1N 333304547 QPQAPMJAMHTETN-CABZTGNLSA-N 258.325 0.911 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC[C@H](O)CC1 820432611 DOLXIJVWJFZOKP-NSHDSACASA-N 254.330 0.394 0 50 CCAA CN(C)c1ccc(S(=O)(=O)NCCc2cnoc2)cn1 907384871 WIOLQOYSUFGRKX-UHFFFAOYSA-N 296.352 0.657 0 50 CCAA CN1C[C@@]2(C)CN(CC(=O)Nc3ccon3)C[C@@]2(C)C1 931304526 OMWWMCIAHUKUCN-OKILXGFUSA-N 278.356 0.887 0 50 CCAA Cc1nn(C)c(Cl)c1CN1CC[C@@H](O)C[C@H]1C(=O)O 248051906 REHSVLFTFDQNDB-SCZZXKLOSA-N 287.747 0.792 0 50 CCAA N[C@@H]1CC[C@@H](NS(=O)(=O)N2CCc3ccccc3C2)C1 71762287 BDVJZXJNARVDEI-ZIAGYGMSSA-N 295.408 0.759 0 50 CCAA C[C@@H]1CN(C(=O)Cn2nnc3ccccc32)CC[C@H]1O 1412060749 SLCHPOPICSCQCA-ZWNOBZJWSA-N 274.324 0.661 0 50 CCAA O=C(N[C@H](CCO)C(F)F)[C@H](O)c1ccc(F)cc1 2325797245 HSRAWPQJPXZYMD-NXEZZACHSA-N 277.242 0.991 0 50 CCAA CN(C[C@H]1CC1(F)F)C(=O)c1cn2c(n1)CC[C@@H](N)C2 2325814011 BQTPABUYSKKFNH-RKDXNWHRSA-N 284.310 0.884 0 50 CCAA CC(C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 156535 APPHDNMUAAJFSP-UHFFFAOYSA-N 282.321 0.356 0 50 CCAA C[C@@H](C(N)=O)N(c1ccc(Cl)cc1)S(C)(=O)=O 571931 BDMILOXTPNGCFJ-ZETCQYMHSA-N 276.745 0.980 0 50 CCAA O=C(Cn1c(=O)sc2ccccc21)N1CCOCC1 306642 OHCAHYUISQHMTQ-UHFFFAOYSA-N 278.333 0.922 0 50 CCAA C=CC(=O)N(C)CC(=O)Nc1cc(C)c(=O)n(C)c1 860230139 KQILBOQUCNGJQX-UHFFFAOYSA-N 263.297 0.277 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccon2)C1 6744725 FWDZVNIFKRSXTC-SECBINFHSA-N 287.341 0.675 0 50 CCAA Cc1cc(C)cc(NC(=O)C(=O)NC2(C(N)=O)CC2)c1 225687543 CKENSFOWIBRUQG-UHFFFAOYSA-N 275.308 0.376 0 50 CCAA CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 110355466 ZYCADLXTHHOGAQ-LLVKDONJSA-N 289.335 0.899 0 50 CCAA Cc1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1F 110348082 KXXMZFKRMNSDFD-SNVBAGLBSA-N 250.273 0.886 0 50 CCAA COC(=O)CN1CCC(N[C@@H]2CCSC2)CC1 65525929 FZMNGLGJXRWJGP-LLVKDONJSA-N 258.387 0.719 0 50 CCAA CC(C)CN1C[C@@H](C(=O)N2CCc3[nH]cnc3C2)CC1=O 65528547 ZUESNFSUJRUIEM-NSHDSACASA-N 290.367 0.799 0 50 CCAA O=C(c1cn[nH]c1)N1CCCC[C@H]1CN1CCOCC1 110958280 KJZBIJDTSKEVID-ZDUSSCGKSA-N 278.356 0.737 0 50 CCAA CCc1ncc2c(n1)CN(C(=O)[C@@H](CC)NC(C)=O)C2 67850751 JKRVYPAMUFBLAU-LLVKDONJSA-N 276.340 0.796 0 50 CCAA c1cn(C[C@@H]2CCCN2Cc2nnc3n2CCCC3)nn1 328932504 IHWHQDQJCFNMCE-LBPRGKRZSA-N 287.371 0.871 0 50 CCAA Cc1cccn2cc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)nc12 67654496 SPMKVQASINUALW-SNVBAGLBSA-N 291.332 0.683 0 50 CCAA CN1CCCN(C(=O)[C@@H]2CC23CCNCC3)CC1 70252173 CVLCVHMEXQBNFP-LBPRGKRZSA-N 251.374 0.540 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@H]2COc3ccccc3C2)n1 215421093 YAYKDBMOPBQESO-GFCCVEGCSA-N 286.335 0.894 0 50 CCAA COc1cccc(OC[C@H](O)CNC2CCNCC2)c1 32577805 LTQQCDKFCGYUAD-CYBMUJFWSA-N 280.368 0.777 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2cc3sccc3[nH]2)CCN1 71416217 UFAZCTIEJRSJSO-VIFPVBQESA-N 279.321 0.728 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@](C)(C(=O)OC)C1 862001734 BVXPAZOMPNUANN-AWEZNQCLSA-N 282.340 0.433 0 50 CCAA CN1C[C@@H](CN=c2ccc3nnnn3[nH]2)Cc2ccccc21 375275189 MRFSFBQUTVWWLV-LLVKDONJSA-N 295.350 0.662 0 50 CCAA Cc1nc(N(C)C)nc(N(CCO)[C@@H]2CCO[C@H]2C)n1 241923324 UFAFFYOQHVFBHQ-GXSJLCMTSA-N 281.360 0.222 0 50 CCAA Cc1c[nH]c(CN2CCOC[C@H](O)C2)c(C)c1=O 77489945 SNBVHKLPIUOWMY-LLVKDONJSA-N 252.314 0.185 0 50 CCAA Nc1nc(Cl)c(I)c(=O)[nH]1 71772760 LCWZDUICMXKNFX-UHFFFAOYSA-N 271.445 0.610 0 50 CCAA CC(=O)NCC(=O)NC[C@H](C)Oc1cccnc1 221166948 GSBYDKDQWQKGFY-VIFPVBQESA-N 251.286 0.101 0 50 CCAA CN(CCO)CC(=O)N(C)Cc1cnc2ccccc2n1 426420477 VRQXVDNXGQMKNI-UHFFFAOYSA-N 288.351 0.512 0 50 CCAA COC(=O)c1ccc2ccn(C[C@H](O)CO)c(=O)c2c1 95382182 VRIGTMLXVZKDGK-NSHDSACASA-N 277.276 0.141 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCNC1=O 91706462 HZBAQBPENMSABV-NSHDSACASA-N 278.356 0.720 0 50 CCAA CN(CCN1CCCC1)S(=O)(=O)c1cn(C)cn1 330554019 YPARXPQRFQIYNW-UHFFFAOYSA-N 272.374 0.136 0 50 CCAA Cn1ccc(NC(=O)CN2C(=O)COc3cccnc32)n1 95380834 FONDPBLBBKKTRI-UHFFFAOYSA-N 287.279 0.179 0 50 CCAA C[C@@H](OCC1CC1)C(=O)N1CCO[C@H](C(=O)O)C1 299750357 NFDRZKUHJIQEBT-SCZZXKLOSA-N 257.286 0.114 0 50 CCAA CCOC(=O)N1CC[C@@H](NCc2nc(COC)no2)C1 534643459 UOPLBYQCHQYIPJ-SECBINFHSA-N 284.316 0.536 0 50 CCAA Cc1nc(C)c(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)o1 534648529 IVZBKTITLNZUCR-RYUDHWBXSA-N 295.339 0.121 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)CCn1c(C)cccc1=O 534578526 ZZENPERUUSHXHL-STQMWFEESA-N 294.351 0.467 0 50 CCAA CC(C)[C@@H](NC(=O)CCc1nncn1C)c1nccn1C 534663293 XKZAHPQXSQADNL-CYBMUJFWSA-N 290.371 0.995 0 50 CCAA CN1CCC(OCCCN[C@@H]2CCS(=O)(=O)C2)CC1 534575983 BWCYMXBNBNYRMZ-GFCCVEGCSA-N 290.429 0.264 0 50 CCAA COCC1(CNC(=O)CCn2nnnc2C)CCCC1 534663283 CGRVTLAJCWNOJI-UHFFFAOYSA-N 281.360 0.695 0 50 CCAA CN1CCN2CCN(C(=O)c3cc(F)ccc3O)C[C@H]2C1 299797580 OLWRQQXIJIWVDW-GFCCVEGCSA-N 293.342 0.603 0 50 CCAA C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCNCC2 299778098 PQJYYLOLUPUFHD-SNVBAGLBSA-N 293.371 0.028 0 50 CCAA C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccn(CC(=O)O)n1 630134711 DMVNSNKHOLNMBE-MRVPVSSYSA-N 277.284 0.508 0 50 CCAA O=C1N[C@H](c2ccc(O)cc2)C(=O)N2CCCC[C@@H]12 828317525 DWXBWUYGNAMEGG-NWDGAFQWSA-N 260.293 0.944 0 50 CCAA CC[C@@H]1CN(C(=O)NC[C@H]2COCO2)C[C@H](C)O1 864095548 QIDZDTDCGMZECR-AXFHLTTASA-N 258.318 0.568 0 50 CCAA O=S(=O)(c1ccccc1)C1CC(NCCCO)C1 864086166 CFOPEIILILTNAG-UHFFFAOYSA-N 269.366 0.963 0 50 CCAA O=C(Nc1ccc2ncnn2c1)c1cc2n(n1)CCCO2 1875349948 UPGGODSNCIXDTM-UHFFFAOYSA-N 284.279 0.961 0 50 CCAA CN(Cc1ccon1)C[C@H]1OCC[C@H]1c1nc[nH]n1 952889624 CQPUHOCQSXKXFY-GHMZBOCLSA-N 263.301 0.797 0 50 CCAA O=C(NS(=O)(=O)c1ncc[nH]1)C12CCC(CC1)C2 1875283705 AZOPJAPCCBQGMG-UHFFFAOYSA-N 269.326 0.795 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N[C@@H]1C=C[C@H](CO)C1 1875267678 ZINKPYFTIKYYOS-IONNQARKSA-N 280.353 0.896 0 50 CCAA O=C(OCC(F)(F)F)N1CCN(c2nn[nH]n2)CC1 1775987689 TZIHAVIMMBVKIB-UHFFFAOYSA-N 280.210 0.021 0 50 CCAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCC(=O)NCC(F)(F)F 246242255 IVQXWCLQUYQVMS-AKEJEFCPSA-N 293.289 0.155 0 50 CCAA O=C(C1CCOCC1)N1CCCN([C@@H]2CCOC2)CC1 1565521919 HDIZGBHPGHBVAN-CQSZACIVSA-N 282.384 0.736 0 50 CCAA C=CC(=O)NC1(C(=O)N2CCN(C)CC2)CCCC1 408525913 OCJDSZZHEHJFNS-UHFFFAOYSA-N 265.357 0.375 0 50 CCAA Cc1nn(C)cc1CNc1nc(N)c2cnn(C)c2n1 278499161 XDINJVUGGCKIMB-UHFFFAOYSA-N 272.316 0.600 0 50 CCAA CCN(CC)CCCN1CCO[C@H](C(=O)OC)C1 170607414 IROUMSGKXFWEQW-LBPRGKRZSA-N 258.362 0.592 0 50 CCAA C[C@H](OC(=O)[C@@H](O)[C@H](C)c1ccccc1)C(N)=O 584907044 CYCAVHSQBHOIGN-YWVKMMECSA-N 251.282 0.568 0 50 CCAA C=CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 585141118 PYLXKWHZTGRPKM-RYUDHWBXSA-N 266.320 0.635 0 50 CCAA CC[C@@H](O)CN1CCN(c2cccc(F)c2C(N)=O)CC1 585138755 SYFBROYFSQBDHT-LLVKDONJSA-N 295.358 0.818 0 50 CCAA Cc1csc(CN2CCC[C@H](NCCO)C2)n1 708554940 KXILLTAHYFBOCV-NSHDSACASA-N 255.387 0.998 0 50 CCAA CC[C@H](C(=O)Nc1cnn2c1NCCC2)N1CCOCC1 1506400553 NUTDOSBRDKEIHD-GFCCVEGCSA-N 293.371 0.748 0 50 CCAA CC1(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 408280150 FXBCGIYTUIQKCR-SNVBAGLBSA-N 274.386 0.574 0 50 CCAA CC(=O)N1CC[C@](C)(C(=O)NCC2(CO)CCC2)C1 376867017 PPWZVHQZWSEIFX-ZDUSSCGKSA-N 268.357 0.524 0 50 CCAA CC[C@@H](NC(=O)CCc1ccccc1)[C@H](O)C(=O)O 1615551892 QGUJIQMQRSASBP-YPMHNXCESA-N 265.309 0.960 0 50 CCAA CCc1nc(N)nc(N2CC[C@H](CC(=O)NC)C2)c1C 1772704626 OGFLXUILFMIOCC-SNVBAGLBSA-N 277.372 0.892 0 50 CCAA CNC(=O)CCN(C)C[C@@H]1CCC(=O)N(C(C)C)C1 1775983557 NHGJYOJMOWUQMT-LBPRGKRZSA-N 269.389 0.701 0 50 CCAA CCOC(=O)CSc1nncn1CC(=O)OCC 5952834 SRTYBZOWEPLHCP-UHFFFAOYSA-N 273.314 0.496 0 50 CCAA COC(=O)C[C@H]1CNC(N2CCCCC2)=NC1=O 14988625 HLSIKCPSDJOFMW-VIFPVBQESA-N 253.302 0.137 0 50 CCAA CN1N=C(C(=O)NCc2nc3ncccc3o2)CCC1=O 1857682135 IZLFGURKCATSGI-UHFFFAOYSA-N 287.279 0.447 0 50 CCAA Cc1ccc(C(=O)NS(=O)(=O)CC2CCC2)c(=O)[nH]1 164867543 JWDCPEGIZXAMOS-UHFFFAOYSA-N 284.337 0.543 0 50 CCAA CCC[C@H](O)[C@@H](CO)NC(=O)c1ccc(C(N)=O)cc1 424062989 WQMMKFXCOLSWJA-NEPJUHHUSA-N 280.324 0.037 0 50 CCAA N[C@@H](Cc1ccccc1)C(=O)Nc1ccn([C@H]2CCNC2)n1 328631665 RGGGOHMHUNDXTF-KBPBESRZSA-N 299.378 0.926 0 50 CCAA O=C(NCCCn1ccnc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 141891599 XKOJXENWDLLGAY-ZDEQEGDKSA-N 289.335 0.912 0 50 CCAA NC(=O)c1cnc(N2CC[C@@H](c3nc[nH]n3)C2)c(Cl)c1 569232948 XJMLVGRHBZYOSQ-SSDOTTSWSA-N 292.730 0.946 0 50 CCAA Cc1csc(CNC(=O)C(=O)N2CCC(CO)CC2)n1 253407939 POJDVXUQZOHUTN-UHFFFAOYSA-N 297.380 0.299 0 50 CCAA Cc1nc(Cn2nnc(NC(=O)C3CC3)c2C)no1 1117094414 UDNRVKKWJHZXHR-UHFFFAOYSA-N 262.273 0.675 0 50 CCAA O=C(COc1ccc(F)c(F)c1)N1CCn2ncnc2C1 935441914 GOBAAAMKVNEBBM-UHFFFAOYSA-N 294.261 0.978 0 50 CCAA CNC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C 470814 FGTZTWAMEPMNBO-UHFFFAOYSA-N 270.354 0.636 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)c1ccc(F)cc1C 1615629263 SYUMRCSPQIEVCA-VXGBXAGGSA-N 252.289 0.851 0 50 CCAA O=C(O)CCC(=O)NC[C@@]1(c2ccccc2)CCC(=O)N1 2325788894 PSXTUBQDURXSSJ-OAHLLOKOSA-N 290.319 0.773 0 50 CCAA COC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 125232 MTKQNEFREWGOAG-UHFFFAOYSA-N 286.309 0.226 0 50 CCAA Cc1nc(N)nc2[nH]c(=O)n(-c3ccccc3)c(=O)c12 301212 RWGDHIFRZDDGPQ-UHFFFAOYSA-N 269.264 0.360 0 50 CCAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1nncs1 456934 PJFYEMNBRBQSKR-UHFFFAOYSA-N 288.288 0.773 0 50 CCAA CCOC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 468505 SODLEXHNFVHUFO-UHFFFAOYSA-N 282.321 0.630 0 50 CCAA COC1(CN(C)C)CCN(C(=O)c2cccc(N)n2)CC1 2356147328 RJBGJIHGBBAKRV-UHFFFAOYSA-N 292.383 0.847 0 50 CCAA O=C([C@@H]1CCc2ncnn2C1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356151437 INDNZGIDADLAHP-NDBYEHHHSA-N 290.367 0.745 0 50 CCAA COCCNC(=O)c1cc2ncc(Br)cn2n1 2885151 OSYWYONRFUSIAS-UHFFFAOYSA-N 299.128 0.868 0 50 CCAA CC[C@@H](C)S(=O)(=O)N1C[C@H]2[C@H](CN(C)C)[C@H]2C1 101768306 HTTVRKNAMRXDMU-KKOKHZNYSA-N 260.403 0.854 0 50 CCAA CCOC(=O)[C@H]1OCCN(C(=O)OC(C)(C)C)CC1=O 102135929 KPLRWEADFOJTOD-JTQLQIEISA-N 287.312 0.755 0 50 CCAA NC(=O)C1(NC(=O)c2ccc3nc(S)oc3c2)CC1 151778314 NOUKVOFANWUCOQ-UHFFFAOYSA-N 277.305 0.864 0 50 CCAA C[C@H]1CO[C@H](C)CN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 229157327 UVMRRKDBZGEAEJ-AXFHLTTASA-N 266.341 0.633 0 50 CCAA Cn1nccc1C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 283701655 SHCKBTJBMZFOOL-DGCLKSJQSA-N 293.367 0.718 0 50 CCAA NS(=O)(=O)c1ccc(C(=O)N2CCCCCO2)cc1 329287871 PTPUIRZDBBZESQ-UHFFFAOYSA-N 284.337 0.892 0 50 CCAA Cc1nc(=O)c2c([nH]1)CCN(C(=O)[C@H]1CCCO1)CC2 215553197 UWMRFRJMLHLHTG-GFCCVEGCSA-N 277.324 0.185 0 50 CCAA CN(Cc1ccccc1OCC(=O)O)C[C@@H]1COCCO1 215172328 XGQOSQDJWHAXDF-CYBMUJFWSA-N 295.335 0.997 0 50 CCAA CC(C)N1CC[C@@H](N2C(=O)N3CCC[C@@]3(C)C2=O)C1=O 240912256 IWWPHGWYQFVZPU-YGRLFVJLSA-N 279.340 0.812 0 50 CCAA Cc1nnc2ccc(=N[C@@H]3CCN(c4ccn(C)n4)C3)[nH]n12 377732000 XYYJMSLUIOFWTA-LLVKDONJSA-N 298.354 0.279 0 50 CCAA CC(C)S(=O)(=O)c1ccccc1C(=O)NCC(=O)O 262671983 XLGFXJGGSBGVCO-UHFFFAOYSA-N 285.321 0.683 0 50 CCAA O=C1CN(C(=O)N2CCOCC2)CCN1CC(F)(F)F 335798102 CVIVNUZVJHIQSW-UHFFFAOYSA-N 295.261 0.145 0 50 CCAA CSc1nc(N)cc(N2CC[C@]3(CC(=O)NC3=O)C2)n1 82096209 CXQUVKCDDSWCLT-LBPRGKRZSA-N 293.352 0.024 0 50 CCAA CC[C@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O 225447589 XTVCCEKQOMHQJX-PHQOXQJPSA-N 251.282 0.652 0 50 CCAA O=C([C@H]1CCC[C@H](O)C1)N1CCC(n2cnnc2)CC1 222994617 YBLKDTMMJMFKMJ-AAEUAGOBSA-N 278.356 0.993 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccnn1C 223793635 IOHCZSPBCJMMNF-SPFNVWMYSA-N 265.313 0.200 0 50 CCAA COCn1nc(Br)nc1-n1ccnc1 98213446 ANBBXUJSKACGBV-UHFFFAOYSA-N 258.079 0.830 0 50 CCAA Cc1nc(CCNC(=O)[C@H]2CCCN(C(C)C)C2)n[nH]1 91848754 JOWKWTKYEKBBQO-LBPRGKRZSA-N 279.388 0.892 0 50 CCAA Cn1cccc1-c1cc(C(=O)N2C[C@@H](O)CO2)[nH]n1 91986349 FYMYATNOTPUFEH-MRVPVSSYSA-N 262.269 0.164 0 50 CCAA COCCn1cncc1CN1C(=O)CCCC1=O 95501305 IOUKITUAABBTEH-UHFFFAOYSA-N 251.286 0.569 0 50 CCAA C[C@@H]1CN(CC(=O)Nc2ccc(C(N)=O)cc2)CCCO1 244795958 RQHSEMHWOOUHIW-LLVKDONJSA-N 291.351 0.835 0 50 CCAA CCn1cc(NC(=O)[C@H]2CC2(C)C)c(C(N)=O)n1 298140816 YAWQGUDVWMJMPN-SSDOTTSWSA-N 250.302 0.987 0 50 CCAA NC(=O)[C@@H](O)C1CCN(C[C@H](O)c2ccccc2F)CC1 299745689 RVSJFPANITVJDI-KBPBESRZSA-N 296.342 0.417 0 50 CCAA CCN1CC[C@H](N(C)C(=O)[C@H]2CCNC2)[C@H](C)C1 299739826 RQANDDWVSGAEFW-AGIUHOORSA-N 253.390 0.785 0 50 CCAA C[C@H](CNS(=O)(=O)C1CC1)NCC1(CO)CCCC1 828686790 WSYWVALRKXLZJX-LLVKDONJSA-N 290.429 0.599 0 50 CCAA N[C@@H](Cc1cnc[nH]1)c1ncnn1CC(F)(F)F 670448953 FDHZBLMYMMPWEP-ZETCQYMHSA-N 260.223 0.806 0 50 CCAA CN(CCN1CCCCC1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1 1553404738 AKQYFLVHKNSXPD-IHRRRGAJSA-N 281.400 0.450 0 50 CCAA CCOC1CC(C(=O)NCc2c[nH]nc2[C@@H]2CCNC2)C1 952849309 ABHMQFAVJYWMPI-XSRFYTQQSA-N 292.383 0.918 0 50 CCAA C[C@@H]1CC[C@@H](S(=O)(=O)N2CC(=O)NC(C)(C)C2)C1 1875298200 RGMRSAVEQNKABT-NXEZZACHSA-N 274.386 0.715 0 50 CCAA C[C@H]1CN(CCCS(C)(=O)=O)C[C@@H](C)[S@@]1=O 1875262857 JDAPGDJERFXSOQ-RTUWITSCSA-N 267.416 0.262 0 50 CCAA CS(=O)(=O)NC(=O)CCc1nnc(C2CCCC2)o1 1875391136 WADNSDSTJWCHFJ-UHFFFAOYSA-N 287.341 0.736 0 50 CCAA Cc1[nH]nc(C(=O)O)c1NC(=O)O[C@H]1CCOC1 1775985096 MCLUHVFMSZEQDV-LURJTMIESA-N 255.230 0.754 0 50 CCAA O=C(c1cnc(C2CC2)[nH]1)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1574822528 WHRUPBKAROIPHK-XPTSAGLGSA-N 291.307 0.460 0 50 CCAA CCS(=O)(=O)NCC(=O)N1CCC[C@@H]1C(C)(C)C 408008981 RLRZWOWZLYWRDN-SNVBAGLBSA-N 276.402 0.963 0 50 CCAA CC(F)(F)CC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 408372455 CCUOXQXFJSNLTG-MRVPVSSYSA-N 284.328 0.429 0 50 CCAA CCc1nc(C(=O)N2CCC[C@@H](N(C)C)C2)no1 408330786 TYLWVHWJEPHAKN-SECBINFHSA-N 252.318 0.798 0 50 CCAA C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@@H]1CCOC(C)(C)C1 408521769 WFKXHYOVKOUNNM-DJLDLDEBSA-N 256.302 0.557 0 50 CCAA CON1CCC(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 631753205 GWPLSJXKNMZTPF-ZIAGYGMSSA-N 298.383 0.666 0 50 CCAA CC1(C)[C@@H](NCCCNS(C)(=O)=O)[C@@H]2CCO[C@@H]21 224586851 BAXYLNFFBFECEH-DCAQKATOSA-N 276.402 0.329 0 50 CCAA CC[C@@H](C)N1CCN(c2nc(O)c3c[nH]nc3n2)CC1 580402525 PUMDECSTELDNCQ-SECBINFHSA-N 276.344 0.979 0 50 CCAA Cc1nn(C)c(C)c1CNS(=O)(=O)c1ccnn1C 274229104 YIIROCLIBIDYPX-UHFFFAOYSA-N 283.357 0.249 0 50 CCAA CN(C)[C@@H]1CCN(C(=O)NCCC(=O)N2CCCCC2)C1 170829468 DSFHLEIWUODEHK-CYBMUJFWSA-N 296.415 0.735 0 50 CCAA CCOC(=O)c1cnc(N2CC([C@H](C)O)C2)nc1C 585092581 FRWLFXPPSKFELO-VIFPVBQESA-N 265.313 0.779 0 50 CCAA CCN1CCC[C@@H]1CN1C[C@@H](CO)C[C@@H](CO)C1 1506418804 VKYJIXKNPHCARN-HZSPNIEDSA-N 256.390 0.393 0 50 CCAA CO[C@@H]1CCCN(c2nccc(NCC(=O)O)n2)C1 1529155577 UPEHAGNYAURWSN-SECBINFHSA-N 266.301 0.588 0 50 CCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CC[C@H](N)C1 216480685 RMLDZQWCEVPYDU-YUMQZZPRSA-N 292.792 0.540 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cn2cccn2)CC12CCOCC2 1800408101 AXGHVGIBIIMOEY-NSHDSACASA-N 293.323 0.223 0 50 CCAA CN(C)C(=O)Cn1cc(NC(=O)[C@H]2CC2(C)C)cn1 331431268 CUOAKLKLRDVAAP-SNVBAGLBSA-N 264.329 0.956 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1c(C)noc1C 643823196 MEVAYLTUKSWMNS-ZDUSSCGKSA-N 267.329 0.758 0 50 CCAA CC1(C)[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)C[C@H]1O 129257553 UCMFNOVYBZGJRP-JGVFFNPUSA-N 263.359 0.085 0 50 CCAA Cc1ncc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)c(C)n1 247974751 UNNPOXLDMVADHB-YPMHNXCESA-N 265.313 0.051 0 50 CCAA Nc1ccn2ncc(C(=O)NC[C@@H]3COCCO3)c2c1 1615615767 SHESPUSDXDULOS-SNVBAGLBSA-N 276.296 0.062 0 50 CCAA O=S(=O)(N[C@H](CO)c1ccccn1)N1C[C@H]2CC[C@H]1C2 1616036307 ISMOAYYNFSXJSU-GMXVVIOVSA-N 297.380 0.434 0 50 CCAA Nc1nc(CCC(=O)N2CCOC[C@@H](C(=O)O)C2)cs1 1772816524 OVAHYSQCGZJWIX-QMMMGPOBSA-N 299.352 0.218 0 50 CCAA CC(C)CN(C(=O)c1cnc(C(N)=O)cn1)C1CC1 1772707796 ZBDIRFCCYRWENN-UHFFFAOYSA-N 262.313 0.836 0 50 CCAA Cc1ccccc1CN1CCN2C(=O)CN(C)C(=O)[C@H]2C1 14732930 AGAQVJTYWYKHDL-CQSZACIVSA-N 287.363 0.480 0 50 CCAA Cc1cc(C)nc(CNC(=O)[C@H]2[C@@H]3CC[C@H]2CN3)n1 1857692504 IBNZPUVZOJEOPA-GMXVVIOVSA-N 260.341 0.708 0 50 CCAA O=C(NCCc1ncc[nH]1)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857739872 WSKAZNRUKDCRHX-QJPTWQEYSA-N 278.356 0.226 0 50 CCAA C[C@@H](c1cccnc1)N(C)C(=O)C1=NN2CCCN=C2N1 643775319 MGUVFWJJAHEZTC-JTQLQIEISA-N 286.339 0.579 0 50 CCAA CNC(=O)[C@@H](NC(=O)c1cn2ccccc2n1)C(C)C 353438674 MOJHIKDTBQDMFZ-LBPRGKRZSA-N 274.324 0.835 0 50 CCAA Cn1cc(C(=O)N[C@@H]2CC[C@H]2O)c(-c2cccnc2)n1 819684199 VDBCWTIEKNCAIR-VXGBXAGGSA-N 272.308 0.735 0 50 CCAA Cc1nc(S(=O)(=O)NC[C@@H](F)C(C)(C)O)cs1 2325807923 IVYMNULYGHBKEB-SSDOTTSWSA-N 282.362 0.839 0 50 CCAA CCc1nnc(CN2CCN(c3n[nH]c(C)n3)CC2)n1C 931624531 RWGOIQBLHYPDKH-UHFFFAOYSA-N 290.375 0.126 0 50 CCAA Cn1ccc([C@H]2CCCN(CCn3cnnn3)C2)n1 932132505 KQIGMVGYYRYLFE-NSHDSACASA-N 261.333 0.286 0 50 CCAA COc1nccc(C(=O)NC2(CO)Cc3ccccc3C2)n1 935529063 ZQQAYTUXPPOTFU-UHFFFAOYSA-N 299.330 0.745 0 50 CCAA COC[C@H](C)OC[C@H](O)CN1CCC[C@@H]1C[C@@H](C)O 234818830 GMLWGPDNDMDSSC-XJFOESAGSA-N 275.389 0.634 0 50 CCAA CS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 13323659 GVWOIQPWYFNXID-UHFFFAOYSA-N 297.380 0.202 0 50 CCAA Cc1ncsc1CCN1C(=O)NC2(CCNCC2)C1=O 77459393 TYSNFRWNFRAWPU-UHFFFAOYSA-N 294.380 0.668 0 50 CCAA Cc1cc(C(=O)NCCc2nc(C(=O)O)cs2)ncn1 519091875 DRMIKJZSXFANQR-UHFFFAOYSA-N 292.320 0.912 0 50 CCAA CNC(=O)[C@@H](O)CN=c1cc[nH]c2ccc(OC)cc12 893478413 GENBVCZXQMWWDU-ZDUSSCGKSA-N 275.308 0.184 0 50 CCAA CS(=O)(=O)Nc1ccccc1NS(C)(=O)=O 128929 BYZJRLRCNOECEV-UHFFFAOYSA-N 264.328 0.430 0 50 CCAA COc1ccc(N[C@@H]2CC(=O)N(N(C)C)C2=O)cc1 243252 UYBREXYCKSLGEW-LLVKDONJSA-N 263.297 0.711 0 50 CCAA C[C@@H]1C(=O)N(Cc2ccccc2)Cc2nnc(CO)n21 2356154855 MZHYGDACEZADLN-SNVBAGLBSA-N 272.308 0.874 0 50 CCAA O=c1[nH]c(O)ncc1S(=O)(=O)Nc1ccc(F)cc1 4479997 GQNHJUNVCRFLLU-UHFFFAOYSA-N 285.256 0.415 0 50 CCAA O=C(CO)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 225536203 RIELSRLCEXBBOG-KCJUWKMLSA-N 257.236 0.591 0 50 CCAA CCc1nnc2ccc(N(C)[C@@H](C)C[S@](C)=O)nn12 225602254 FTRKKJAZJQFVNQ-UGZDLDLSSA-N 281.385 0.890 0 50 CCAA CN(CC(=O)Nc1cccc(F)c1)S(C)(=O)=O 22606473 JOIFJFZSFUICJR-UHFFFAOYSA-N 260.290 0.656 0 50 CCAA Cc1nnc(NC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)[nH]1 310642519 UGVBOYWLHULWLC-SFYZADRCSA-N 252.274 0.943 0 50 CCAA Cc1cccnc1NCCNC(=O)C1=NNC(=O)CC1 67642286 XKLCBKGFGYIIOQ-UHFFFAOYSA-N 275.312 0.184 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1O 77486833 BVMJIGTZVGLOHS-IUODEOHRSA-N 293.367 0.636 0 50 CCAA O=NN(CCCCCCN(CC(=O)O)N=O)CC(=O)O 31636995 NSFHKWZXSGNBTG-UHFFFAOYSA-N 290.276 0.683 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)NCc1ccc(-n2cncn2)cc1 262591689 HVLCCFZSSUZAJE-VXGBXAGGSA-N 286.291 0.604 0 50 CCAA Cc1noc(CCCC(=O)N(C)CCC(=O)O)n1 263066683 ZACJNGPSDPMUAZ-UHFFFAOYSA-N 255.274 0.634 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccccn1 220026836 YDCVFSWWDUOFIQ-MXYBEHONSA-N 276.336 0.790 0 50 CCAA CCC1=NO[C@H](CSc2nnc(CCN)n2C)C1 426465079 DBMKACQYAMVLEB-VIFPVBQESA-N 269.374 0.963 0 50 CCAA COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1 40845026 DFZMPKMSTNKZKL-RKDXNWHRSA-N 259.302 0.777 0 50 CCAA Cc1cc(CNC(=O)[C@H](C)N2CCN(C)CC2)ccn1 426411281 JRYMGILTQOWXHE-ZDUSSCGKSA-N 276.384 0.642 0 50 CCAA C[C@]1(O)CCN(C(=O)COCc2ccccc2)C[C@@H]1O 96140684 UGFBBJXEYLGRLA-ZFWWWQNUSA-N 279.336 0.547 0 50 CCAA O=C(O)CN1C[C@H](C2CC2)[C@@H](NC(=O)C2CCOCC2)C1 91596055 MBBHEFJRHMQYCV-OLZOCXBDSA-N 296.367 0.324 0 50 CCAA COc1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3OC)cn1 426428282 KIJNZPUOYZEUOF-IAZYJMLFSA-N 277.324 0.982 0 50 CCAA CN1CCN(C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)CC1 238937235 UOVMFIQDEOSINK-NNYUYHANSA-N 264.325 0.283 0 50 CCAA COC(=O)c1ccnc(-c2cc(C(=O)OC)cc[n+]2[O-])c1 149297808 QZKBWYPXSZPVMQ-UHFFFAOYSA-N 288.259 0.955 0 50 CCAA O=C(NCc1cccc(-c2nnn[nH]2)c1)[C@@H]1CCCN1 95155937 VJZAPUJBAUBDJB-NSHDSACASA-N 272.312 0.235 0 50 CCAA O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@H]1C=C[C@@]2(CO)O1 244778611 PTRCHJYTVZWXFU-ZAZJYDDPSA-N 289.262 0.631 0 50 CCAA CS(=O)(=O)CC(=O)N(Cc1ccncc1)C1CC1 299089484 ZNUDIAFPOCFXJG-UHFFFAOYSA-N 268.338 0.617 0 50 CCAA NC(=O)[C@@H](O)C1CCN(Cc2ccc(Cl)cn2)CC1 299750869 ONQNJTCQCSRWSB-LBPRGKRZSA-N 283.759 0.793 0 50 CCAA O=C(O)CN(C(=O)C[C@@H]1CCCO1)C1CCOCC1 299750981 OZJNJJAOXFNFBQ-NSHDSACASA-N 271.313 0.648 0 50 CCAA Cn1ccnc1[C@H](NC(=O)CCn1cnnn1)C1CC1 534582552 ARRQDQGZIKNJLU-LLVKDONJSA-N 275.316 0.064 0 50 CCAA CCCn1ncc(C(=O)NCCc2nc(N)n[nH]2)c1C 534589047 RBPHWEWWMAUIJO-UHFFFAOYSA-N 277.332 0.274 0 50 CCAA COCC(C)(C)NC(=O)CCN1CCCCC1=O 534670063 WDTVHQGVAHYRQB-UHFFFAOYSA-N 256.346 0.930 0 50 CCAA CN1CCN(c2cc(N[C@H]3CCCOC3)ncn2)CC1=O 185442555 TWFOFGBGXLBWFV-NSHDSACASA-N 291.355 0.346 0 50 CCAA COc1cnc(N2C[C@@H]3COC[C@]3(C(=O)O)C2)nc1 1775980719 IKLGALCAGLOCPQ-PRHODGIISA-N 265.269 0.023 0 50 CCAA CC(C)[C@@H](NC(=O)CCCC(=O)O)c1ncnn1C 299771211 ULJHAZHJPYUFNI-LLVKDONJSA-N 268.317 0.883 0 50 CCAA CC(C)(O)Cn1nc(CC(N)=O)nc1C[C@@H]1C=CCC1 826842200 NMAJBZJEFARFOB-SNVBAGLBSA-N 278.356 0.586 0 50 CCAA CC(C)NC(=O)Cn1c(=O)c2ccccc2c(=O)n1C 585137252 OUSBNGAIFRKWIS-UHFFFAOYSA-N 275.308 0.225 0 50 CCAA NC(=O)CN1CCC[C@H](c2ncnn2-c2ccncc2)C1 670449174 GVZPMAPXVHLDCM-NSHDSACASA-N 286.339 0.327 0 50 CCAA CS(=O)(=O)Nc1ccc([C@@H]2CCNC[C@H]2N)cc1 757207408 AUPCQPNREPPIRI-NWDGAFQWSA-N 269.370 0.462 0 50 CCAA CC[C@H](C)[C@@H](N)C(=O)N[C@](C)(COC)C(=O)OC 1875264893 VUCZHMDAFYDEIY-YGOYTEALSA-N 260.334 0.054 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cncnc1C1CC1 1875272983 OVXIFUNYIUSCQC-NSCUHMNNSA-N 261.281 0.813 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1CNC(=O)/C=C/CN(C)C 1875377130 TXHKIPRZCGANFG-ZJRFNNFUSA-N 253.346 0.135 0 50 CCAA CNC[C@H](O)[C@@H](C)C(=O)N(C)CCOc1ccccc1F 952883520 MXBQSRUYMBQXSD-YPMHNXCESA-N 298.358 0.879 0 50 CCAA CC(C)(C)[C@H](N)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958527986 KELLKCVJNKFMQS-MMOIIXQKSA-N 261.387 0.831 0 50 CCAA CO[C@@H]1CN(CCNC(C)C)C[C@H]1c1cnn[nH]1 886077522 DSCHWNCDKGKOHC-CMPLNLGQSA-N 253.350 0.217 0 50 CCAA CN(CC(=O)NC(C)(C)C)[C@H]1CCC[C@H]1S(C)(=O)=O 245339283 RSIPZIJBQVHTSA-WDEREUQCSA-N 290.429 0.799 0 50 CCAA O=C1CC[C@H]2CN(c3cc4c(O)ncnc4cn3)CCN12 1776006705 TYEWBPQWHIWLGE-VIFPVBQESA-N 285.307 0.541 0 50 CCAA C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccco1)c1nnnn1C 1434811697 WQYLMSIMRLNLEP-DJLDLDEBSA-N 276.300 0.719 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccncc1F 1565508622 XRDVKTSVVFUTQC-RYDUCSDGSA-N 279.315 0.668 0 50 CCAA CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(OC)nc2)C1 271392895 VRLAFMHFUDKVIT-LBPRGKRZSA-N 299.396 0.604 0 50 CCAA Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2cn[nH]c2)cn1 275303676 NMGXCAZUQWSWMN-WDEREUQCSA-N 261.285 0.860 0 50 CCAA Cc1ccc(NC(=O)N[C@]2(CO)CCOC2)c(C)n1 186531790 KLMZQJREVCGJEW-ZDUSSCGKSA-N 265.313 0.971 0 50 CCAA CCN(C)S(=O)(=O)NCC1CCC2(CC1)OCCO2 170020619 WHFMWYYVULJSOJ-UHFFFAOYSA-N 292.401 0.706 0 50 CCAA CCOc1cnc(C(=O)N2CC[C@@H](N(C)C)C2)cn1 189111446 JPAGMSJSNDHFKC-SNVBAGLBSA-N 264.329 0.651 0 50 CCAA O=S(=O)(NCC1CC1)c1ccc(N2CC(CO)C2)nc1 192181300 IURANAWLMULRBQ-UHFFFAOYSA-N 297.380 0.198 0 50 CCAA Cc1cccnc1CC(=O)NC[C@H]1COCCO1 1857684977 MCKRUSGRWIZSLP-NSHDSACASA-N 250.298 0.464 0 50 CCAA NS(=O)(=O)C[C@H]1CCCCN1Cc1csnn1 931231326 RHALKYMYELAEAA-SECBINFHSA-N 276.387 0.181 0 50 CCAA CNC(=O)c1cccnc1NC1CCS(=O)(=O)CC1 1704345339 XNYRFIVKBBEHBA-UHFFFAOYSA-N 283.353 0.430 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1nnc(C(C)C)o1 643825248 LXZVGMPHPHVAJW-ZDUSSCGKSA-N 282.344 0.659 0 50 CCAA Cc1nc2c([nH]1)CN(C[C@H]1CCC(=O)N(C)C1)CC2 1775981564 ASLFOBALIZNMNV-NSHDSACASA-N 262.357 0.945 0 50 CCAA O=CN1N=C(c2cccnc2)C[C@]1(O)C(F)(F)F 5068528 BLODLONMPUWFKQ-VIFPVBQESA-N 259.187 0.899 0 50 CCAA N=C1NC(=O)[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)S1 13154109 JJZUNHXDLYMTHO-SECBINFHSA-N 293.304 0.910 0 50 CCAA Cc1ccn(CC(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)n1 1857739840 VEFFTRHPLFOGRA-XQQFMLRXSA-N 278.356 0.169 0 50 CCAA COC[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)CCO1 646864939 ZIMAEGBJEXOISJ-VHSXEESVSA-N 280.328 0.098 0 50 CCAA CC(C)c1cc(C(=O)N2CCC(CO)(CO)C2)cc(O)n1 912551864 YKFIXXKOHVQWBS-UHFFFAOYSA-N 294.351 0.728 0 50 CCAA CCc1nn(C)cc1NC(=O)NCC[C@@H]1CC(=O)N(C)C1 930694645 SULOUKHHSUDRCA-SNVBAGLBSA-N 293.371 0.972 0 50 CCAA O=C(O)c1ccc(CN2CCC([C@@H](O)CO)CC2)cc1 1772711142 FSSHDTWYFVFQGA-AWEZNQCLSA-N 279.336 0.950 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1 659227207 ANVNJGCNHSLGRH-AOOOYVTPSA-N 265.313 0.972 0 50 CCAA CSC(C)(C)[C@H](N)C(=O)NCc1cnc(C)cn1 2100483566 FKKFDOYHINMBHC-SNVBAGLBSA-N 268.386 0.870 0 50 CCAA O=C(O)CCNS(=O)(=O)c1cccc2nsnc12 88468 MRJJNXSJOOEQAA-UHFFFAOYSA-N 287.322 0.444 0 50 CCAA O=C(O)CNC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 489068 NFIMAMRWMUEMAT-ZJUUUORDSA-N 291.307 0.062 0 50 CCAA biogenic CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)CCC1=O 1616399 IGKWOGMVAOYVSJ-ZDUSSCGKSA-N 263.249 0.089 0 50 CCAA in-vitro Cc1cc(C)nc(NC(=N)NN2CCN(C)CC2)n1 4427480 JTZQFAZTFCIINH-UHFFFAOYSA-N 263.349 0.192 0 50 CCAA NC(=O)c1cnc2n1CCN(C(=O)Cc1cccs1)C2 65418667 SCBHPNQRLVCNMI-UHFFFAOYSA-N 290.348 0.628 0 50 CCAA CC[C@H](NC(=O)[C@@H]1CCCCC(=O)N1)C(C)(C)O 358576119 GHBAFXHLPAFBBA-UWVGGRQHSA-N 256.346 0.711 0 50 CCAA CCOC1CC(O)(CNC(=O)[C@@H]2CC23CCOCC3)C1 365601380 QUMXQDHRLNKKPX-AVERBVTBSA-N 283.368 0.849 0 50 CCAA C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@@H](C)N1 154247616 XYBVIYDABLORCA-NXEZZACHSA-N 262.375 0.020 0 50 CCAA C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 333466380 MWCJUKHBQHSCSQ-WZQZWDJBSA-N 266.341 0.177 0 50 CCAA CS(=O)(=O)NCc1ccc(NC(=O)[C@H]2CCCN2)cc1 237387231 AGQYTPMRTRGNAE-GFCCVEGCSA-N 297.380 0.426 0 50 CCAA O=C(Cn1cnnc1O)N1CCc2cccc(F)c2C1 334758547 BJYNNFOOYRPKSM-UHFFFAOYSA-N 276.271 0.708 0 50 CCAA O=C(Nc1ccccc1Cl)C(=O)N1CC[C@H](O)[C@@H](O)C1 72166244 GUOKFISRXCZSSF-QWRGUYRKSA-N 298.726 0.233 0 50 CCAA CCO[C@@H]1C[C@](NC(=O)[C@@H]2CCCO2)(C(=O)O)C1(C)C 262685461 AGKWUMMMTGIZQL-RBZYPMLTSA-N 285.340 0.940 0 50 CCAA COc1cccc(F)c1C(=O)NCCc1n[nH]c(=O)[nH]1 223554043 YCCQBWOQTRQEMW-UHFFFAOYSA-N 280.259 0.218 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)CN(C)Cc1cccnc1 222347211 WITZNXWICVNVIJ-ZIAGYGMSSA-N 293.367 0.434 0 50 CCAA CNC(=O)[C@@H](NC(=O)c1c(C)nsc1NC)C(C)C 178586991 HYEYZLHKKZBDQG-VIFPVBQESA-N 284.385 0.994 0 50 CCAA CN1CCCC[C@@H]1CC(=O)N1CCN(c2nc[nH]n2)CC1 426651244 HFKJLTSKQRVKHQ-GFCCVEGCSA-N 292.387 0.328 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@@H](C)c2nncn2C)n1 49097432 BSVQMDWVDXIGEG-JTQLQIEISA-N 262.317 0.506 0 50 CCAA O=C(O)[C@H]1[C@H](C(=O)NCc2ccco2)[C@H]2CC[C@H]1O2 239439340 ZUDXEKSVPTUSMF-GWOFURMSSA-N 265.265 0.774 0 50 CCAA C[C@@H]1CN(C(=O)c2ncncc2Cl)C[C@@H](C)N1 179148007 UZKLVKWLXRZIEM-HTQZYQBOSA-N 254.721 0.952 0 50 CCAA CCNC(=O)CSc1nnc([C@@H]2CCCNC2)n1C 426491075 QGUHMVVESPMZKP-SECBINFHSA-N 283.401 0.510 0 50 CCAA CSCC[C@@H](Nc1ncncc1CC(=O)O)C(=O)O 95389037 RWCVAWPQFOYLRA-MRVPVSSYSA-N 285.325 0.722 0 50 CCAA Cc1nc(N2CC[C@](C)(O)[C@@H](O)C2)nc2c1CCCC2 96162729 HIURQTKYMLQUJI-ZFWWWQNUSA-N 277.368 0.986 0 50 CCAA CCOc1ccc2c(c1)n(O)c(C(=O)OC)c(O)[n+]2=O 334157311 AIXJYPSPMAKEGC-UHFFFAOYSA-O 281.244 0.684 0 50 CCAA CCc1nccn1CCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 91468420 MHKRAQFVWPGRCA-LLVKDONJSA-N 290.367 0.573 0 50 CCAA C[C@@H]1CC[C@@H](CCC(=O)N2CCOC[C@H]2C(=O)O)O1 299753267 XNYGHQIEDDPLFG-VWYCJHECSA-N 271.313 0.646 0 50 CCAA CC(C)c1nccn1[C@H](C)C(=O)NCCn1ccnn1 534592787 DLQCCIIPYVVBDG-LLVKDONJSA-N 276.344 0.975 0 50 CCAA CC1(C)C(CNC(=O)CCn2cnnn2)C1(C)C 534673726 JGGLCUWDMIVMHI-UHFFFAOYSA-N 251.334 0.862 0 50 CCAA C[C@@H](NS(=O)(=O)N1CCCC1)c1cnn(C)c1 266235365 VCFVWLIXHLSNIN-SECBINFHSA-N 258.347 0.411 0 50 CCAA O=C(NCC1CCN(c2ncccn2)CC1)c1ccnnc1 365094733 DWRLWEHXVBLQQG-UHFFFAOYSA-N 298.350 0.913 0 50 CCAA O=C(NC[C@H]1CCC2(CCNCC2)O1)c1cnccn1 299758361 LZXFHPXBTFTLGG-LLVKDONJSA-N 276.340 0.508 0 50 CCAA CNc1ncccc1C(=O)N1CCOC[C@@H](CN(C)C)C1 824095179 BTAFFEQSLFXGRM-LBPRGKRZSA-N 292.383 0.774 0 50 CCAA CN(C)[C@H]1CCN(C(=O)CCC(F)(F)F)C[C@@H]1O 584901064 VEDZLNHZCULMRH-IUCAKERBSA-N 268.279 0.852 0 50 CCAA O=c1c2cccc(F)c2ncn1CCCc1nn[nH]n1 584898091 PFFHBVWGJFFIPF-UHFFFAOYSA-N 274.259 0.682 0 50 CCAA CCNC(=O)N1CCC(NC(=O)[C@@]2(C)CC(C)=NO2)CC1 584890881 XJGREFYFAYBWMR-CQSZACIVSA-N 296.371 0.851 0 50 CCAA C=CC(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 863971379 QXFKMRYIYVCUCN-SSDOTTSWSA-N 250.220 0.699 0 50 CCAA O=C(C1OCCO1)N1CCC(c2ncon2)CC1 1875312162 VDWAQPKNGPUMHY-UHFFFAOYSA-N 253.258 0.149 0 50 CCAA CN(CCC[C@@H]1CCCO1)C(=O)CCS(C)(=O)=O 952991865 WQYYCAFKTNMSIH-LLVKDONJSA-N 277.386 0.839 0 50 CCAA CC1(n2nnnc2N2CCC(CS(C)(=O)=O)CC2)CC1 1775994631 NDLXKHDYYZYGQU-UHFFFAOYSA-N 299.400 0.443 0 50 CCAA CCCn1cc(CNC(=O)c2nc(C)nn2C)nn1 1776005573 KGAVHRADSZCOKX-UHFFFAOYSA-N 263.305 0.055 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CCCS(=O)(=O)C2)n1 408163889 IMEAKAOLVXZOMX-NEPJUHHUSA-N 299.396 0.754 0 50 CCAA CN(CCN1CCOC(C)(C)C1)C(=O)C1(O)CCCC1 408454981 WEERUXCHXUKEPI-UHFFFAOYSA-N 284.400 0.861 0 50 CCAA Cc1nc2n(n1)C[C@H](NC(=O)NCc1ccoc1)CC2 171052180 LQPLLJWBILIHRG-LLVKDONJSA-N 275.312 0.994 0 50 CCAA C[C@H](O)[C@H]1CCCN(C(=O)NCc2nc(N(C)C)n[nH]2)C1 637787332 VBBWDUWQEYTTBB-UWVGGRQHSA-N 296.375 0.173 0 50 CCAA CN1CCN(c2nc(C(F)(F)F)ns2)C[C@@H]1CO 687590259 IGUCLRHQWBDAFE-ZCFIWIBFSA-N 282.291 0.670 0 50 CCAA O=C(NCCc1ccccn1)C1CN([C@H]2CCOC2)C1 585121335 MNMWJBRXZKVQQR-AWEZNQCLSA-N 275.352 0.461 0 50 CCAA CCN1CCC[C@H](CN(C)C(=O)CCS(C)(=O)=O)C1 1506412349 XLDJQELIUVUPEE-GFCCVEGCSA-N 290.429 0.611 0 50 CCAA CN1C(=O)CCC12CCN(c1cncc(N)n1)CC2 1857671169 QHJCOZIOGIKXLT-UHFFFAOYSA-N 261.329 0.650 0 50 CCAA CCc1cnc(N)nc1NC[C@H]1CC(=O)N(CCOC)C1 1704315267 ZCXMTWRRBXOHMB-SNVBAGLBSA-N 293.371 0.528 0 50 CCAA O=C(O)[C@H]1CCN(c2cncc(C(=O)N3CCCC3)n2)C1 1704309215 KQRCMKYRPFDASH-JTQLQIEISA-N 290.323 0.624 0 50 CCAA CCn1nnc(NC(=O)c2ccc3c(c2)OCCO3)n1 12651495 UPFJQJLIZSWAIF-UHFFFAOYSA-N 275.268 0.717 0 50 CCAA O=C(O)c1cccc(CN2C[C@@H]3[C@@H](C2)C3(CO)CO)c1 1857703409 LGAXETMTQDOIKR-CHWSQXEVSA-N 277.320 0.417 0 50 CCAA Cc1cnn([C@H]2CCN(C(=O)N3CCOCC3)C2)c1 329841239 NKKOMLHVQIFJLS-LBPRGKRZSA-N 264.329 0.891 0 50 CCAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CNCCO1 237499303 KIOZMKYCMNLWEG-DOMZBBRYSA-N 289.379 0.842 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)Cc2cccc(F)c2F)C1 344972290 GYTAMBRTTHFHIT-ONGXEEELSA-N 298.289 0.609 0 50 CCAA CNC(=O)[C@H](O)CNC(=O)c1csc2c1CC[C@@H](C)C2 253433182 SWXPAYBPNISJDE-LDYMZIIASA-N 296.392 0.710 0 50 CCAA O=C(C[C@H]1NCCNC1=O)OCCCc1ccccc1 36091332 MDPUDXLQJMWVOF-CYBMUJFWSA-N 276.336 0.641 0 50 CCAA in-vitro Cc1nnc(CN2CCC([C@@H](O)CO)CC2)s1 1772706221 PHPQWICMPYHFIU-JTQLQIEISA-N 257.359 0.412 0 50 CCAA O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(C2(O)CC2)CC1 1772955794 JAMPCSJYKFXMGB-SNVBAGLBSA-N 287.381 0.185 0 50 CCAA Cc1noc(C)c1C(=O)NCC1(CO)CCOCC1 219825220 JGKFXNCOUWXPDQ-UHFFFAOYSA-N 268.313 0.810 0 50 CCAA NS(=O)(=O)NCc1cccc2c1OCCCO2 125455827 VNNCQUCRXHKYBB-UHFFFAOYSA-N 258.299 0.141 0 50 CCAA O=C([C@@H]1CCCCN1)N1CCC[C@@H](n2cncn2)C1 158812022 HVCPRUIUAFEKIZ-NEPJUHHUSA-N 263.345 0.584 0 50 CCAA C[C@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)S(C)(=O)=O 159346564 WTHRQYXIHQYKQV-SECBINFHSA-N 299.348 0.776 0 50 CCAA CC(C)C[C@H](CN)NS(=O)(=O)C[C@@H]1CCCCO1 178959748 LVJXNNUDKIGGIK-NEPJUHHUSA-N 278.418 0.848 0 50 CCAA CC[C@@H](C(=O)O)N1CCN([C@H](C)c2nc(C)no2)CC1 191432417 VPPLRLPOUKGFBM-KOLCDFICSA-N 282.344 0.920 0 50 CCAA COc1ccc(CN(C)C2=CC(=O)NC2=O)cc1C 2325827234 ZRXFBIXXHDREBC-UHFFFAOYSA-N 260.293 0.976 0 50 CCAA CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 617889 UXNUXMJMBKVIPW-NSHDSACASA-N 286.328 0.725 0 50 CCAA Cn1cnc2nc(N3CCC[C@@]4(CNC(=O)O4)C3)ncc21 2356169693 WDWYOPTVSHZEKK-CYBMUJFWSA-N 288.311 0.442 0 50 CCAA O=C(O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 3651464 MBRBEMMVLHFBCE-UHFFFAOYSA-N 287.293 0.211 0 50 CCAA CCOC(=O)N[C@@H]1[C@@H](NC(=O)OCC)N(C)C(=O)N1C 4992105 LNDFRMQBPSSIFA-YUMQZZPRSA-N 288.304 0.128 0 50 CCAA CCN(Cc1nc(COC)no1)C(=O)[C@H]1CCNC1 55226886 GFPLJXKGVJZVQE-VIFPVBQESA-N 268.317 0.174 0 50 CCAA CCc1ncnc(N(CC)[C@H]2CCNC2=O)c1F 281531033 AIQPDKYGXCRPBO-VIFPVBQESA-N 252.293 0.893 0 50 CCAA CC[C@@H](C(=O)N1CCC(O)(CO)CC1)n1cccn1 67790433 WIPZOVNWAIDQPB-NSHDSACASA-N 267.329 0.180 0 50 CCAA C[C@@H]1CCC[C@H]1OC[C@H](O)CN1CCN(C)CC1 22823091 IPEVRAKFVVFBAI-MGPQQGTHSA-N 256.390 0.800 0 50 CCAA CCOC(=O)c1nnc2ccnn2c1/C=C/N(C)C 66324770 MCIUELUWDLMDEO-SOFGYWHQSA-N 261.285 0.833 0 50 CCAA CN(C[C@@H]1CCc2nccn2C1)C(=O)CN1CCOCC1 328641470 XXIAOVCQWDAFEB-ZDUSSCGKSA-N 292.383 0.236 0 50 CCAA Cc1cc(C)n(C)c(=O)c1C(=O)NC1(C(N)=O)CCCC1 215627720 AJLPPVCUZFDWDQ-UHFFFAOYSA-N 291.351 0.530 0 50 CCAA CCO[C@H]1C[C@](CO)(NCc2cn(C)nn2)C1(C)C 331746694 DBAZONRFAOJUTD-WCQYABFASA-N 268.361 0.471 0 50 CCAA c1cc([C@@H]2CCCCN2c2ccc3nnnn3n2)n[nH]1 329755236 LKCHYVVGKQPINO-JTQLQIEISA-N 270.300 0.974 0 50 CCAA Cc1noc(C)c1[C@@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 152576481 VCSPIORCHLZZRH-GZMMTYOYSA-N 279.340 0.989 0 50 CCAA CSCc1noc(CN2CCC[C@@](O)(CO)CC2)n1 72169685 KMZLUKYZSNMEHZ-LBPRGKRZSA-N 287.385 0.642 0 50 CCAA C[C@H](O)c1cn(CC(=O)Nc2nccs2)nn1 124706485 XEGOJSLABOAZQJ-LURJTMIESA-N 253.287 0.427 0 50 CCAA CN1CCCC[C@H]1CN1CCN(C(=O)C(C)(C)O)CC1 376983269 RKTXDIWPYZGYNC-ZDUSSCGKSA-N 283.416 0.386 0 50 CCAA O=S1(=O)CC(CNc2cc(Cl)nnc2O)C1 2325824933 WGMHUHPLGXSDNP-UHFFFAOYSA-N 263.706 0.292 0 50 CCAA CC[C@H](CO)NC(=O)c1ccc2c(=N)[nH]cnc2c1 613266057 UFEGILCILDTJAF-SECBINFHSA-N 260.297 0.543 0 50 CCAA Cn1ncc(CN2CCC[C@@H]2C(=O)NCc2ccco2)n1 290042158 RASJYTYTIOJHNH-CYBMUJFWSA-N 289.339 0.689 0 50 CCAA CN1CCN(CC(=O)N2CCC(c3ncon3)CC2)C1=O 426442543 MHFJCNCLMPCKTP-UHFFFAOYSA-N 293.327 0.143 0 50 CCAA CN1C[C@H](NC(=O)CCCc2cn[nH]c2)C[C@H]1C(=O)O 426510126 MPXFRSSUJPAWJY-MNOVXSKESA-N 280.328 0.006 0 50 CCAA O=C(Nc1ccncc1F)N1CCOC[C@@H]1CO 294127861 FMIVZTBIGWUUBP-QMMMGPOBSA-N 255.249 0.446 0 50 CCAA Cc1nc(C)c2c(n1)O[C@H](CN1C(=O)CCNC1=O)C2 95513037 UDQXXTVKLAFGQK-VIFPVBQESA-N 276.296 0.339 0 50 CCAA O=C([C@H]1CCS(=O)(=O)C1)N1CC(c2ccccn2)C1 97805658 RWBKIAUWAZJYBE-JTQLQIEISA-N 280.349 0.442 0 50 CCAA Cc1ccc([C@@H](CCO)NC(=O)CNC(N)=O)cc1 243892946 AMKRIOWKSSYAOH-LLVKDONJSA-N 265.313 0.203 0 50 CCAA C[C@@H](C(=O)NCCc1nccn1C)N1CCCC1 244794980 QXMVUNMFMHTAJQ-NSHDSACASA-N 250.346 0.563 0 50 CCAA COc1ccc(Cl)cc1CNC(=O)[C@@H]1C[C@@H](O)CN1 299751092 PLLGPBDEPNIAKL-MNOVXSKESA-N 284.743 0.688 0 50 CCAA COc1ccccc1[C@H](O)CNC(=O)[C@@]1(C)CCNC1 299740012 URWKJHSMQMOCOG-DOMZBBRYSA-N 278.352 0.844 0 50 CCAA Cc1ccc2c(c1)NC(=O)CN(CCN(C)C)C2=O 534655171 GOWMQFWWTDRLNB-UHFFFAOYSA-N 261.325 0.951 0 50 CCAA CCOC(=O)N1CC[C@H](NCCn2ccnn2)C1 534581159 ZIOHNRQURFNCFX-JTQLQIEISA-N 253.306 0.099 0 50 CCAA O=C(NC[C@H]1CNCCO1)c1cccc2ccnn12 534589599 LMOHBKMFSPYBML-LLVKDONJSA-N 260.297 0.053 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CC[C@@H](N)C[C@H]1C 534649295 NTFQFVLFJXPKRH-GHMZBOCLSA-N 286.401 0.964 0 50 CCAA C[C@@H](NS(=O)(=O)c1cccnc1)c1ncnn1C 276401111 AGPUXTXIKHRBJY-MRVPVSSYSA-N 267.314 0.250 0 50 CCAA Cc1cccnc1CN1CCN(C(=O)[C@H]2C=CCN2)CC1 299799764 ZXPBFVRBGPXKBE-CQSZACIVSA-N 286.379 0.562 0 50 CCAA C[C@@H](C(=O)NC(C)(C)C)N1CCN(c2nc[nH]n2)CC1 299782523 JHQOHCFRMKIXQB-JTQLQIEISA-N 280.376 0.230 0 50 CCAA Cc1ccc(F)c(C(=O)N[C@@H]2CNC[C@H]2O)c1Cl 299780149 BPHTZBFLRLENJK-RKDXNWHRSA-N 272.707 0.850 0 50 CCAA CC[C@H](CO)NS(=O)(=O)CC(=O)c1ccccc1 725375001 BCBAIGJAFWSTOF-LLVKDONJSA-N 271.338 0.560 0 50 CCAA CC(C)c1nc(CNS(=O)(=O)N2CCCC2)no1 822285214 URIMBRQAFJIZDN-UHFFFAOYSA-N 274.346 0.623 0 50 CCAA CCCc1cc(CNC(=O)CCCS(N)(=O)=O)on1 823020304 UHRRPZRYSLZEPV-UHFFFAOYSA-N 289.357 0.312 0 50 CCAA C[C@@H](CCC(=O)NCC(=O)N(C)C)N1CCCC1 821746068 RIDQWPSNZKPKAS-NSHDSACASA-N 255.362 0.455 0 50 CCAA CN1C[C@@H](C(=O)N(C)CC2(CO)CCCC2)CCC1=O 584899578 BTSMUSLNVSKYNQ-LBPRGKRZSA-N 282.384 0.866 0 50 CCAA CN1CC[C@H](CN(C)C(=O)c2nc3ncccc3[nH]2)C1 584884580 GFOUGZFGOCCEMM-JTQLQIEISA-N 273.340 0.982 0 50 CCAA CN1C(=O)N(C)C2(CCN([C@H]3CCOC3)CC2)C1=O 670440214 GSXZDFHQOPYAKY-JTQLQIEISA-N 267.329 0.134 0 50 CCAA CN(Cc1ncon1)C1CCN(C(=O)[C@H]2CCCO2)CC1 670446620 LNGWDUOMRJKGSH-GFCCVEGCSA-N 294.355 0.671 0 50 CCAA COCCN1C[C@H](CNc2ncc(F)c(OC)n2)CC1=O 670473740 HATQJOXSAHFBFQ-VIFPVBQESA-N 298.318 0.531 0 50 CCAA CC1(C(=O)Nc2nc(N3CCOCC3)n[nH]2)CCC1 1875279686 LPDBMNLAWBWICT-UHFFFAOYSA-N 265.317 0.770 0 50 CCAA O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)[C@@H]1CC[C@H]2C[C@@H]1CO2 1875291664 HWXUROQLHFPLRT-ULQATHHISA-N 265.309 0.781 0 50 CCAA C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1nc[nH]n1 1875393849 NEAFAVNAJDFLMX-VHSXEESVSA-N 285.373 0.052 0 50 CCAA CCn1ccc(CNCCCN2CCC[C@H](O)C2)n1 952988371 NNADGUWIJUWCPD-AWEZNQCLSA-N 266.389 0.839 0 50 CCAA CC[C@H]1C=CCN1C(=O)CN1CCCN(C)CC1 952866801 DRSAFBPZPRPGNG-ZDUSSCGKSA-N 251.374 0.801 0 50 CCAA CSCCN1CCN(c2nccnc2C(=O)O)CC1 1506402066 IDDNQYVAZLFRIL-UHFFFAOYSA-N 282.369 0.660 0 50 CCAA O=C(NCC(F)(F)CO)[C@@H]1CCCO[C@H]1c1cn[nH]c1 888076514 PZSFDPPXLIGKBN-ZJUUUORDSA-N 289.282 0.621 0 50 CCAA Cn1cc([C@]2(CNC(=O)C3(O)CCCC3)CCCO2)cn1 890154311 QJXLIBLOZQOZLY-OAHLLOKOSA-N 293.367 0.847 0 50 CCAA Cc1nn(C)c(Cl)c1C(=O)NCCc1nc(=O)o[nH]1 1772979043 KNOWSAZLERXVMV-UHFFFAOYSA-N 285.691 0.031 0 50 CCAA O=C(O)[C@@H](Cc1ccc(O)c(F)c1)NC(=O)[C@H]1CCCO1 1775999507 URILXRRSERKWQZ-ZYHUDNBSSA-N 297.282 0.822 0 50 CCAA COc1nc(C)ncc1C(=O)N1C[C@@H](N)C2(CCC2)C1 1775962462 LSKMIIRLWIHKGG-LLVKDONJSA-N 276.340 0.747 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)c2ncc(F)cc2F)[C@@H](O)C1 991570770 IHBHKEIPMZCDHD-QWRGUYRKSA-N 299.277 0.071 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)Cc1ccc2c(c1)OCO2 1565515234 CYXMBDBZCRFAMX-FZMZJTMJSA-N 293.319 0.878 0 50 CCAA Cc1n[nH]c(CNC(=O)c2cnc3ccccc3n2)n1 19770992 OPCKAOBEXSAQAG-UHFFFAOYSA-N 268.280 0.986 0 50 CCAA COC(=O)[C@]1(NC(=O)c2ncccc2O)CCSC1 275347687 PZISPPKPEXTWGC-LBPRGKRZSA-N 282.321 0.566 0 50 CCAA Cn1cc(N2CC[C@H](N3CC[C@H](O)C(C)(C)C3)C2=O)cn1 275401668 DUZWNYKMDZCYSG-STQMWFEESA-N 292.383 0.618 0 50 CCAA O=C(c1cnns1)N1CCC[C@@H](c2nnc(O)o2)C1 408068012 QRWLGBLQRKBRLL-ZCFIWIBFSA-N 281.297 0.647 0 50 CCAA COC[C@@H]1CN(Cc2nnc(C)n2C)CC(C)(C)O1 408028111 CQDQSPCYJBPUIO-NSHDSACASA-N 268.361 0.749 0 50 CCAA C[C@H]1C[C@@H](O)CN1C(=O)c1cc(C(N)=O)cs1 408294525 NHLPNBVXGYQPCR-POYBYMJQSA-N 254.311 0.442 0 50 CCAA Cc1cc(S(=O)(=O)NC(=O)C2(C)COC2)c(C)o1 408440643 DWBGSARQHDOOOY-UHFFFAOYSA-N 273.310 0.738 0 50 CCAA CCCc1noc(CN2CC[C@](O)(Cn3ccnn3)C2)n1 671552505 OHEWHDUEPXFUSB-CYBMUJFWSA-N 292.343 0.251 0 50 CCAA CN(C)[C@H]1CCCN(C(=O)c2ccc3c(c2)B(O)OC3)C1 584939172 GHWKPNSCLNZBED-ZDUSSCGKSA-N 288.156 0.071 0 50 CCAA C[C@H](CN(C)C(=O)[C@@]1(C(=O)O)CC1(C)C)C(=O)O 585095651 WZNAOHOKWFZRTH-JMCQJSRRSA-N 257.286 0.666 0 50 CCAA CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1nc[nH]n1 563942115 GXIJFUIZTJUQDC-MNOVXSKESA-N 258.281 0.847 0 50 CCAA COc1nc(NCCOc2nonc2C)ncc1F 1704314635 VCLPSXYZYVCCDQ-UHFFFAOYSA-N 269.236 0.807 0 50 CCAA CC(C)N1C[C@H](CN2CCNC(=O)C2)CCC1=O 1772813572 IBNCKMZLMCFWEJ-NSHDSACASA-N 253.346 0.065 0 50 CCAA OC[C@@]12CNC[C@@H]1CN(Cc1ccn3nccc3c1)C2 1772711399 IDFBONWXZVDIGJ-HIFRSBDPSA-N 272.352 0.348 0 50 CCAA CC1(C(=O)N2CCCN(CCn3cnnc3)CC2)CC1 1772704099 BQKCVNBKONWQJF-UHFFFAOYSA-N 277.372 0.613 0 50 CCAA O=C1C[C@H]2CN(C(=O)c3ccc4nsnc4c3)C[C@H]2N1 1857681654 IBLUHBJPHHRHKU-GZMMTYOYSA-N 288.332 0.652 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2nc(C)c(C)n2C)CC[C@@H]1N 1857711543 FSNROQBNMVPNBX-AVGNSLFASA-N 294.399 0.796 0 50 CCAA CC(C)n1ccc(C(=O)N[C@@H]2CC[S@@](=O)C2)n1 408305569 LATFENQPPJTJFH-VVVCHXIZSA-N 255.343 0.715 0 50 CCAA COC(=O)[C@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 2579369 SSATZBUCOTXXGA-VGMNWLOBSA-N 259.302 0.824 0 50 CCAA in-vitro Cc1nn(C)c(C)c1CCNC(=O)c1cc(O)cc(O)n1 666258777 JVEMILMCJBBPGA-UHFFFAOYSA-N 290.323 0.816 0 50 CCAA Cc1nonc1Cn1cnc2c(cnn2C2CC2)c1=O 919330343 HMAVVZBKLOMBCE-UHFFFAOYSA-N 272.268 0.668 0 50 CCAA CNc1nc(N2C[C@H]3COC[C@@H](C2)CN3C)ncc1F 1704329314 QIAASHZUOVAFRM-ZJUUUORDSA-N 281.335 0.424 0 50 CCAA CCC1(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)COC1 910622145 RTGPHUXRKFKCDE-VTWZXRTESA-N 297.351 0.942 0 50 CCAA CN1C[C@]2(C)CN(CC(=O)Nc3ccon3)C[C@@]2(C)C1 931304527 OMWWMCIAHUKUCN-ZIAGYGMSSA-N 278.356 0.887 0 50 CCAA NC(=O)[C@@]1(O)CCCN(CCOc2ccc(F)cc2)C1 225481454 COFHVVCABDKEFA-CQSZACIVSA-N 282.315 0.517 0 50 CCAA N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 158437799 QCMHPROHTWIMSH-RKDXNWHRSA-N 293.289 0.347 0 50 CCAA CCn1ccnc1CN(C)C[C@]1(O)CCCNC1 77457556 FFKFLXASXYJJDT-ZDUSSCGKSA-N 252.362 0.449 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2ccc3nn[nH]c3c2)C1 331935554 WPMPALFGVSHGQN-CYBMUJFWSA-N 260.297 0.945 0 50 CCAA CN(C)S(=O)(=O)CCCN1CC[C@H](O)CC(C)(C)C1 448552952 BHXOLOPXWRESBN-LBPRGKRZSA-N 292.445 0.751 0 50 CCAA CC(C)NCC(=O)N1CCC[C@]2(CNC(=O)C2)C1 582797569 VAOBQFWQKGDQNI-ZDUSSCGKSA-N 253.346 0.113 0 50 CCAA Cc1cnc(NCC2(S(N)(=O)=O)CCC2)nc1 721535550 JVKSESAXDPKDLC-UHFFFAOYSA-N 256.331 0.408 0 50 CCAA O=C(NS(=O)(=O)[C@H]1CCCOC1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2325773699 UCWWMBUQFUAKFY-FQIARQCESA-N 299.392 0.904 0 50 CCAA C[C@@]12CCC[C@@](NC(=O)c3cn(C4COC4)nn3)(CO1)C2 2325784304 RJTDSBPHVPDPIT-KBPBESRZSA-N 292.339 0.681 0 50 CCAA COc1ccnc(CN2C(=O)[C@H]3CCCN3S2(=O)=O)c1 2325810121 WPWSUIHXVSSVJO-LLVKDONJSA-N 297.336 0.142 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 168616 ZQKMWRGUSKTUKM-UWVGGRQHSA-N 253.229 0.486 0 50 CCAA Cc1cc(=O)cc(C(=O)NC[C@H](O)c2cccc(O)n2)o1 2356133854 HSPKHVPESDJACN-NSHDSACASA-N 290.275 0.512 0 50 CCAA O=C(NCCO)c1ccc(N2C(=O)CCC2=O)cc1 2910283 PVBIFFDUGIKJHV-UHFFFAOYSA-N 262.265 0.062 0 50 CCAA COc1cccc(NC(=O)C(=O)NC[C@H](C)O)c1 2992605 RCPWXYOVTFNCEN-QMMMGPOBSA-N 252.270 0.131 0 50 CCAA NC(=O)CSc1nnc(C2CC2)n1C[C@@H]1CCCO1 6699149 UPXWNKHFFGUNQB-VIFPVBQESA-N 282.369 0.912 0 50 CCAA Nc1ncc(Br)nc1N1CCNCC1 6745215 UMJBQCDGKLHYPT-UHFFFAOYSA-N 258.123 0.231 0 50 CCAA O=C(CN1C(=O)CNC1=O)NCCCOC1CCCCC1 61547162 CFXDAGGUAPUUBW-UHFFFAOYSA-N 297.355 0.394 0 50 CCAA CS[C@H](CO)[C@@H](C)NC(=O)CN1CCC[C@H]1C 252511505 HKQDFKHOJSIGQB-GMTAPVOTSA-N 260.403 0.699 0 50 CCAA CN1CCN(C(=O)[C@@H]2CCCCO2)C[C@H]1c1ncc[nH]1 328629737 PCQFPPIPIRRCTO-RYUDHWBXSA-N 278.356 0.794 0 50 CCAA Cc1cccnc1NCCNC(=O)c1ccn2nnnc2c1 71754125 RUVSNSAOBYDKLR-UHFFFAOYSA-N 297.322 0.670 0 50 CCAA NC(=O)c1ccccc1CC(=O)N1CC[C@@H](n2cccn2)C1 366096387 ZVHLFFKUDYGYFM-CYBMUJFWSA-N 298.346 0.998 0 50 CCAA CCC1(C(=O)N2CCN([C@H]3CCNC3)CC2)CC1 261577465 OJZREICKYWNVBF-LBPRGKRZSA-N 251.374 0.683 0 50 CCAA Cc1csc(CCCNC(=O)C2(C(N)=O)CC2)n1 219090259 GRMRXPJGTYTYIM-UHFFFAOYSA-N 267.354 0.766 0 50 CCAA O=C(c1ccc[nH]1)N1CCC(C(=O)O)(n2cccn2)CC1 72406910 BMHHFXFACXNWQG-UHFFFAOYSA-N 288.307 0.927 0 50 CCAA CC[C@H](C(=O)N[C@H]1CCC[C@H]1CN)N1CCCC1=O 262589009 QEKRXNUEEFTZLE-SDDRHHMPSA-N 267.373 0.631 0 50 CCAA Cc1nnnn1CCCN1CC[C@@]2(CCCO2)CCC1=O 72133119 ZPHUYCLXJWIUAQ-CQSZACIVSA-N 293.371 0.933 0 50 CCAA Cc1cccc(=O)n1CCCNC(=O)c1cn[nH]n1 72153903 OTAVZAJNGKITNG-UHFFFAOYSA-N 261.285 0.095 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1nnnn1-c1ccccc1 284616298 ASXFAAKECHGMLT-KOLCDFICSA-N 290.302 0.060 0 50 CCAA CN1CCC[C@H](NC(=O)Nc2nc3n(n2)CCCC3)C1=O 529122291 XSLKFBHPTYNZON-VIFPVBQESA-N 292.343 0.357 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2C 426594794 HGSPUHPHXZKVKO-ZJUUUORDSA-N 292.339 0.045 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)CN2CCCC2=O)C1 91678746 ZHQWZGWIRBFJFH-OAHLLOKOSA-N 298.383 0.246 0 50 CCAA O=C1CNC(=O)N1CC(=O)N1CCC[C@H]1c1ccco1 91593615 GSERQUDGYRGWFU-VIFPVBQESA-N 277.280 0.495 0 50 CCAA CC(C)n1cnnc1Cn1ncc(N(C)C)cc1=O 95354254 REUGKBVUTYTUEA-UHFFFAOYSA-N 262.317 0.530 0 50 CCAA CC(C)Cc1noc([C@@H](C)NC(=O)Cc2nc(O)n[nH]2)n1 426548737 HQYOQMFTRCDLBB-SSDOTTSWSA-N 294.315 0.512 0 50 CCAA C[C@H]1CN(C(=O)c2cnc3[nH]c(O)nc3c2)C[C@@]1(C)CO 620469035 IAKAAKKBESWKGQ-RTHLEPHNSA-N 290.323 0.754 0 50 CCAA CC[C@H](NS(=O)(=O)c1ccnn1CC)[C@H]1C[C@H](O)C1 252571018 XOHKDZWRBHAOAA-DCAQKATOSA-N 287.385 0.731 0 50 CCAA CNC(=O)Cn1cc(NC(=O)CCn2cc(C)cn2)cn1 341870144 AOADKAGOKXGLRT-UHFFFAOYSA-N 290.327 0.163 0 50 CCAA Cc1cnccc1CN1CCN(c2nc[nH]n2)CC1 252488255 IOEZBBRFAIQBPX-UHFFFAOYSA-N 258.329 0.830 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 299744103 QYNCNMTUPDWINK-NXEZZACHSA-N 257.286 0.115 0 50 CCAA C[C@H]1OCC[C@H]1S(=O)(=O)N1CCc2cnccc21 184453989 COGRLJFBKIMTFM-BXKDBHETSA-N 268.338 0.951 0 50 CCAA CC(C)(O)Cn1nc(CC(N)=O)nc1C[C@H]1C=CCC1 826842182 NMAJBZJEFARFOB-JTQLQIEISA-N 278.356 0.586 0 50 CCAA O=C(Cc1ccccn1)N[C@H]1COC[C@@H]1N1CCCC1 827854402 WZJHFDZTLRMEAD-KBPBESRZSA-N 275.352 0.604 0 50 CCAA CN(C)C(=O)c1cncc(-c2cnc(C(=O)O)nc2)c1 675070470 ZJFAPVCXHCGODW-UHFFFAOYSA-N 272.264 0.939 0 50 CCAA CN(C)c1noc([C@]23CCCN2S(=O)(=O)CC3)n1 1875306280 ZECRLOXHBFXXIY-SNVBAGLBSA-N 272.330 0.160 0 50 CCAA C[C@](O)(C(=O)N[C@H]1CC[S@@](=O)C1)c1cccc(F)c1 1875261932 OLZDYQRDEJKSIL-CENXUZMRSA-N 285.340 0.670 0 50 CCAA O=C(/C=C/CN1CCCC1)N[C@@H]1CCCCNC1=O 1875338065 MYNNTKBVCIFMHO-HOSRBBHYSA-N 265.357 0.423 0 50 CCAA COC[C@@H]1NC(=O)CCN(C[C@H]2Cc3ccccc32)C1=O 1875310109 DOOHOSSBZGWGII-OCCSQVGLSA-N 288.347 0.690 0 50 CCAA O=C(N[C@H]1C[C@H]2C[C@@H](O)[C@@H]1C2)c1cc(O)nc(C2CC2)n1 1875312499 FEFGKMYYVNVXSR-NCIFOGHDSA-N 289.335 0.949 0 50 CCAA COCC1(C(=O)NC/C=C/C(=O)OC)CCOCC1 1875333300 MTUDDKLHICKWTD-ONEGZZNKSA-N 271.313 0.275 0 50 CCAA COC(=O)[C@@H]1CCN1C(=O)N(C)CC(F)(F)F 888069074 XPSGVTLIMKODLD-LURJTMIESA-N 254.208 0.848 0 50 CCAA C[C@]1(Br)C[C@@H]1C(=O)N1CC2CC1(C(N)=O)C2 888100419 LMBPGSWXYHQQQH-UXJDVBJGSA-N 287.157 0.636 0 50 CCAA CNC(=O)CN(C)S(=O)(=O)CC1(C)CC(C)C1 1775990511 XRJBSOJHVKAXJQ-UHFFFAOYSA-N 262.375 0.430 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CN1Cc1nc2c(F)cccc2[nH]1 185546715 BUGWQRSRCXVFGP-LDYMZIIASA-N 293.298 0.810 0 50 CCAA CCn1nccc1S(=O)(=O)N[C@@H]1CCO[C@@H]1C 274546491 GCCLTDRAZQXKHP-RKDXNWHRSA-N 259.331 0.359 0 50 CCAA NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 408064871 YGXSFIYYYQZDNK-PZWNZHSQSA-N 266.341 0.714 0 50 CCAA C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1ccnn1C 408125939 HPKVGWIPVJPRKJ-NXEZZACHSA-N 283.353 0.827 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1nnn(C)n1 408355276 RDVDIXBLLNEVAO-BDAKNGLRSA-N 253.306 0.032 0 50 CCAA CC(C)C[C@H](CN)CC(=O)O[C@H]1CCCNC1=O 408525689 SXWZDYOIUJQMTE-QWRGUYRKSA-N 256.346 0.819 0 50 CCAA O=C(NCCn1ccccc1=O)c1cnn2c1OCCC2 551086966 HXOGVTQTLDYXQL-UHFFFAOYSA-N 288.307 0.257 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cc(C)no1 643822046 KCEUMVZYXHCQOF-LBPRGKRZSA-N 253.302 0.449 0 50 CCAA CCOC1CC(C(=O)N2CCC[C@@]2(COC)C(N)=O)C1 643938036 GCNBWTHRXSOKKT-QIMFLAQGSA-N 284.356 0.294 0 50 CCAA Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1 567172335 JKCJXUKSDUBSBW-SECBINFHSA-N 290.327 0.810 0 50 CCAA CCn1c(O)nc2ccc(C(=O)N3CC[C@@H](O)C3)cc21 654852093 XBGVJRIKPIFEKW-SNVBAGLBSA-N 275.308 0.969 0 50 CCAA NS(=O)(=O)c1ccc(C(=O)NCCCNC2CC2)cc1 576944900 LEMOKFQBVRLMEQ-UHFFFAOYSA-N 297.380 0.206 0 50 CCAA CCC[C@]1(CO)CCN(Cc2cncn2C)C[C@@H]1O 1875245304 UMJIRIFDIFYHEG-UONOGXRCSA-N 267.373 0.766 0 50 CCAA CCC[C@@H]1C(=O)NCCN1C(=O)c1cncnc1C 122304022 ARMMMBYYMZWXHH-LLVKDONJSA-N 262.313 0.526 0 50 CCAA C[C@H]1CN(C[C@H]2CCCN2C(=O)[C@@H](C)N)C[C@@H](C)O1 237446139 HGMSEJWIYYSGPV-YVECIDJPSA-N 269.389 0.434 0 50 CCAA CCCn1nccc1C(=O)N[C@H]1C[C@H](C(=O)O)C1 569356469 CDSMKKGRLQDMRQ-KYZUINATSA-N 251.286 0.886 0 50 CCAA O=C(Cn1cc(Br)cn1)NCc1nc[nH]n1 358570484 NHVWEXMNNWDRPW-UHFFFAOYSA-N 285.105 0.080 0 50 CCAA Cn1nccc1[C@@H]1CN(C(=O)NCc2ccon2)CCO1 1614999105 NVCCMPWIHTYZRD-LBPRGKRZSA-N 291.311 0.691 0 50 CCAA CCn1ncc(CNC(=O)[C@H]2C[C@@H]3[C@@H](N)C[C@H]3C2)n1 1615545787 IVOHWYMNZFLZNC-LSKIRQOJSA-N 263.345 0.288 0 50 CCAA O=C(CNc1ccc(F)cc1)N1CC[C@@H](CO)[C@@H](O)C1 1615736686 LRCKELCIVUISSM-GWCFXTLKSA-N 282.315 0.439 0 50 CCAA COc1nc(N2CCOC[C@@H](CN(C)C)C2)ncc1F 1772702506 WKJYSCXUDLRGGL-JTQLQIEISA-N 284.335 0.639 0 50 CCAA CC[C@H](C)Nc1nc(SCC(N)=O)nc(N(C)C)n1 16624211 YPRHADOKMVGEGN-ZETCQYMHSA-N 284.389 0.725 0 50 CCAA CCc1nnc(NC(=O)CN2CCOCC2)s1 19799266 MJIVQZAYPYEAII-UHFFFAOYSA-N 256.331 0.371 0 50 CCAA C=CC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 820437546 UBPBWTUZFLTEOC-SECBINFHSA-N 267.306 0.524 0 50 CCAA O=C(O)[C@@H]1[C@@H](C(=O)NCCCn2ccnc2)[C@H]2C=C[C@H]1C2 100626663 XKOJXENWDLLGAY-CYDGBPFRSA-N 289.335 0.912 0 50 CCAA CCCc1noc(CN2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)n1 621321349 BRVXUQVDVJIVSC-GXSJLCMTSA-N 292.343 0.755 0 50 CCAA Cc1cncc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)c1 636216689 CNNIKCYRWBGZTP-ZDUSSCGKSA-N 287.323 0.523 0 50 CCAA CN(C)c1ccnc(C(=O)N(C)[C@@H]2CCCCNC2=O)c1 130597713 ALHUYMDZWQDBEP-CYBMUJFWSA-N 290.367 0.888 0 50 CCAA O=C(N1CCO[C@H](c2cccc(Cl)c2)C1)C1(O)CNC1 662794572 OPAHGGNIJUTVGR-LBPRGKRZSA-N 296.754 0.574 0 50 CCAA CCOC[C@@H](O)CN1CCN(c2ccnc(C)n2)CC1 266353420 JVCWHXCQZADKGS-ZDUSSCGKSA-N 280.372 0.304 0 50 CCAA Cc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)c(F)c1 123593464 HWHZEAHTGBTIQH-SECBINFHSA-N 258.318 0.856 0 50 CCAA Cc1[nH]ncc1S(=O)(=O)N1C[C@H]2[C@@H](N)CCC[C@H]2C1 130848542 GGFBACZYGHLFGP-AXFHLTTASA-N 284.385 0.466 0 50 CCAA CCS(=O)(=O)N1CCN(Cc2cnc(C)cn2)CC1 407947711 IHUGVCBVXITOJC-UHFFFAOYSA-N 284.385 0.252 0 50 CCAA Cc1cc(=O)c(C(=O)NC[C@@H](CO)C(C)C)c[nH]1 334012743 XUVJMMFJWRTXDK-JTQLQIEISA-N 252.314 0.678 0 50 CCAA CNC(=O)c1ccc(N2CCC[C@@](F)(CO)C2)nn1 376187753 MQPSDWOMCCXPNX-LBPRGKRZSA-N 268.292 0.137 0 50 CCAA NC(=O)N1CC[C@H](NC(=O)c2cccc(C(=O)O)c2)C1 393170278 DZIUBXKZXQHSLY-JTQLQIEISA-N 277.280 0.268 0 50 CCAA CCC[C@](C)(CO)NC(=O)c1ncnc2c1ncn2C 2325804498 TXFPOMNSSDLRCB-CYBMUJFWSA-N 277.328 0.644 0 50 CCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1C 1926613 OKDNDLFNKSOVPM-GFCCVEGCSA-N 292.335 0.779 0 50 CCAA Cc1nncn1CCN1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2356135343 ZSALDPGHMOCOCN-RFGFWPKPSA-N 278.356 0.058 0 50 CCAA CO[C@H]1CC[C@H](NC(=O)Cc2cnc(O)n(C)c2=O)CC1 2356146235 XPVUGZRUWZAMFW-XYPYZODXSA-N 295.339 0.102 0 50 CCAA Cc1cc(C)cc(NS(=O)(=O)c2cnc(O)[nH]c2=O)c1 4270299 KJTJFMKDLBEEDM-UHFFFAOYSA-N 295.320 0.893 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C[C@H]2C2=C1[C@H]1C=C[C@H]2CC1 101003991 PYBQANXXYJHLQD-XKNYDFJKSA-N 257.293 0.741 0 50 CCAA CNS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 10434439 VBGGFJUEEDGXGB-UHFFFAOYSA-N 252.295 0.745 0 50 CCAA Cc1o[nH]c(=N)c1S(=O)(=O)N[C@@](C)(CN)CC(C)C 420454868 NBSDWKGWOKUBHB-LLVKDONJSA-N 290.389 0.437 0 50 CCAA CCCCn1ncc(C)c1NC(=O)C[C@H]1NC(=O)NC1=O 63857618 HPVOEGJKDUWJRY-SECBINFHSA-N 293.327 0.528 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)CO)[C@H]1Oc1ccccc1 249149482 WDCWBZRZTVPWLS-OUCADQQQSA-N 265.309 0.720 0 50 CCAA Cc1[nH]cnc1CN1CCC2(CC1)CN(C)CCN2C 67774117 PXVXPXQWXQWRBX-UHFFFAOYSA-N 277.416 0.930 0 50 CCAA CC1=C(C(N)=O)[C@H](c2ccccc2F)N2NC=NC2=N1 71200 JLNCOCZOGKEENW-NSHDSACASA-N 273.271 0.844 0 50 CCAA Cc1cc(C)nc(SCC(=O)NC2=NC(=O)CS2)n1 181145 GKSGNMQSINJXJJ-UHFFFAOYSA-N 296.377 0.931 0 50 CCAA CN(C)c1ccc(CC(=O)N[C@@H]2CCNC[C@H]2O)cc1 77338460 CHTZVZJEKFSEOH-ZIAGYGMSSA-N 277.368 0.134 0 50 CCAA CC(=O)NCCNc1ccc(-n2ccc(C)n2)nn1 72442314 QGCVPKMLEJGIHP-UHFFFAOYSA-N 260.301 0.519 0 50 CCAA O=c1c2cccc(F)c2ncn1CCN1CCNCC1 32576537 GPVVRJHTHUYCJO-UHFFFAOYSA-N 276.315 0.441 0 50 CCAA CC(C)c1noc(CCCNC(=O)[C@@H]2C[C@@H]2C(=O)O)n1 362485996 HXIKFTLRYDTFQY-BDAKNGLRSA-N 281.312 0.963 0 50 CCAA COC(=O)c1ccc(C(=O)N2CCOCC2)cc1N 35287448 QOHKRFFRANDKSH-UHFFFAOYSA-N 264.281 0.528 0 50 CCAA CCn1ccnc(N2C[C@H](COC)OC(C)(C)C2)c1=O 284992738 LMYFZZIUZUIMQO-LLVKDONJSA-N 281.356 0.893 0 50 CCAA CNc1ncnc(Nc2ccc(C(N)=O)cc2)c1N 40450126 DYODYTLCRWQXDA-UHFFFAOYSA-N 258.285 0.943 0 50 CCAA CCS(=O)(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 496229764 SNPSQZBBVPDHGA-SECBINFHSA-N 296.389 0.154 0 50 CCAA C[C@@H](Cc1ccccc1)[n+]1noc(O)c1C(=O)CN 137989586 XLRBEGKQNKGHOS-VIFPVBQESA-O 262.289 0.613 0 50 CCAA CN(C(=O)c1cn(Cc2ccccc2)nn1)[C@H]1CCNC1 179088459 SOTPMZNISAKKDW-ZDUSSCGKSA-N 285.351 0.760 0 50 CCAA COc1cc(N[C@@H]2COCC[C@H]2O)nc(OC)n1 220730096 CUZPKLIEJATZNK-HTQZYQBOSA-N 255.274 0.056 0 50 CCAA C[C@H](C(=O)N(C)CC1(CO)CCOCC1)n1ccnc1 426412298 OZVOJSBAJXVNPB-GFCCVEGCSA-N 281.356 0.692 0 50 CCAA CCOC(=O)N1CCC(N2C[C@@H]3NCCO[C@H]3C2)CC1 426602344 DXYCFLFFDSXDTN-STQMWFEESA-N 283.372 0.280 0 50 CCAA CCc1noc([C@H]2CC(=O)N(CCN(C)C)C2)n1 95354047 IOUQYTYESOWFNW-VIFPVBQESA-N 252.318 0.510 0 50 CCAA Cc1nnc(CN(C)C(=O)CN2C(=O)OC(C)(C)C2=O)o1 95509192 RKRIAHJVQBSPMU-UHFFFAOYSA-N 296.283 0.094 0 50 CCAA CSCc1noc([C@@H]2CC(=O)N(CCN(C)C)C2)n1 96141561 SGTACPBVBZCLQP-SECBINFHSA-N 284.385 0.810 0 50 CCAA COC[C@H]1CCCCN1Cc1[nH]c(=O)[nH]c1C(=O)O 97759305 FCSJKGPMUMMYCY-MRVPVSSYSA-N 269.301 0.402 0 50 CCAA Cc1cccc(C)c1OC1CN(C(=O)[C@@H](N)[C@@H](C)O)C1 95367391 DZIHUAPDMDQKRV-YPMHNXCESA-N 278.352 0.601 0 50 CCAA CC[C@H](NS(=O)(=O)c1cn(C)cn1)c1ncnn1CC 534589486 ABWDAZQINMAMQM-VIFPVBQESA-N 298.372 0.461 0 50 CCAA Cc1cc(O)cc(C(=O)NCCCN2CCC[C@H](O)C2)n1 299792698 GQTSUNQOYUIXIP-LBPRGKRZSA-N 293.367 0.672 0 50 CCAA C[C@H](NC(=O)Cn1ccnn1)c1nc(C2CC2)no1 299759577 NEBCTADWFBIHHT-ZETCQYMHSA-N 262.273 0.416 0 50 CCAA Cc1nnc(CNC(=O)CN2C[C@H](C)O[C@H](C)C2)o1 299787644 XZHAXISFPQQPPN-DTORHVGOSA-N 268.317 0.103 0 50 CCAA O[C@@H]1CCCOC12CCN(CCn1cccn1)CC2 299762302 UEYTVKPINYPSNG-CYBMUJFWSA-N 265.357 0.889 0 50 CCAA O=C(O)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 1344536767 SCHWXOYTKWKOFJ-ISUQUUIWSA-N 269.297 0.017 0 50 CCAA Cc1n[nH]cc1CN(C)C(=O)[C@@H](C)N1CCCC1=O 584899175 JECZJLCZVDIRHI-SNVBAGLBSA-N 264.329 0.687 0 50 CCAA c1cnn(CCN2CCN(c3ccc4nccn4n3)CC2)c1 670445265 OKEBAHDXLVRQJH-UHFFFAOYSA-N 297.366 0.748 0 50 CCAA CCOc1cc(N2CC(=O)N(C)C[C@@H]2C)nc(C)n1 1151242002 MSMSPZFVKQOMDV-VIFPVBQESA-N 264.329 0.851 0 50 CCAA CC(C)O[C@H]1CN(CCN2CCCC2=O)C[C@@H]1O 670440564 IAUWKANYEIEVAN-RYUDHWBXSA-N 256.346 0.079 0 50 CCAA N[C@@H]1CCN(C(=O)C(=O)N[C@H](CF)c2ccccc2)C1 1875312549 OFZXVDYVPHYXJG-VXGBXAGGSA-N 279.315 0.373 0 50 CCAA COC1(COC(=O)Cn2nc(C3CC3)n(C)c2=O)CC1 1875287628 SETULPYUPOJZHW-UHFFFAOYSA-N 281.312 0.181 0 50 CCAA CC1=CCCN(C(=O)c2cn([C@@H]3COC[C@H]3O)nn2)C1 888093709 PKCLGAWJGFVXJZ-VXGBXAGGSA-N 278.312 0.003 0 50 CCAA Cc1cnc(CCNC(=O)N2CC(=O)N(C3CC3)C2)cn1 889214833 VZGOOFJRGUKBFA-UHFFFAOYSA-N 289.339 0.301 0 50 CCAA O=C1CN(c2ccc(OC(F)F)nn2)CCCN1 892277059 NBUPREMCDVJZQM-UHFFFAOYSA-N 258.228 0.404 0 50 CCAA O=C1NCCC2(CCN(C(=O)CC3OCCO3)CC2)O1 1774398472 ZANBUBZAVYZWGY-UHFFFAOYSA-N 284.312 0.241 0 50 CCAA O=C(CNC(=O)c1ccc2n[nH]cc2n1)NC1CCCC1 1775987690 UALNUFMRFWKOEX-UHFFFAOYSA-N 287.323 0.747 0 50 CCAA Cc1ncsc1CCS(=O)(=O)NC[C@H]1CCOC1 1364754545 AYYVLCFEWVYCMR-SNVBAGLBSA-N 290.410 0.950 0 50 CCAA Cc1cc(CS(=O)(=O)N(C2CC2)[C@@H](C)C(=O)O)on1 1594306693 RVKTXMPLTGYMIF-QMMMGPOBSA-N 288.325 0.750 0 50 CCAA Cc1cc(C(=O)N[C@H](CC(=O)O)C(=O)O)ccc1F 166348199 LYULPUPPKCDMKS-SECBINFHSA-N 269.228 0.792 0 50 CCAA Cc1cc(=O)c(CO)nn1CC(=O)N1CCc2ccccc21 274656158 FTWYMTDHBKGHAM-UHFFFAOYSA-N 299.330 0.633 0 50 CCAA Cc1nnc(CN2CCN(CCO)[C@@H](C)C2)s1 408368711 MKCTZABPYFGYDN-VIFPVBQESA-N 256.375 0.345 0 50 CCAA C[C@@H]1CCCN(c2cc(NC[C@@H](O)CO)ncn2)C1 221913809 HNJAKRQMXDAYSU-GHMZBOCLSA-N 266.345 0.478 0 50 CCAA C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H](S(N)(=O)=O)C1 222081653 JZJCYSVYJWPTRI-NXEZZACHSA-N 291.417 0.043 0 50 CCAA N[C@H]1Cc2ccccc2N(C(=O)c2cnc3n2CCOC3)C1 659324811 LDQVJUCBZHZHFF-LBPRGKRZSA-N 298.346 0.944 0 50 CCAA COc1ccnc(N2CCC[C@H](N3CCOCC3)C2)n1 663950275 IPQQGCHCZGKGNJ-LBPRGKRZSA-N 278.356 0.786 0 50 CCAA CC(=O)NC(C)(C)C[C@H](C)NCCc1nc(N)n[nH]1 1506407246 PYEBZHBOWMVNFM-QMMMGPOBSA-N 268.365 0.212 0 50 CCAA CS(=O)(=O)N1C[C@H](C(=O)O)[C@@H](c2ccccn2)C1 101740769 TYARAARFQHFTPN-IUCAKERBSA-N 270.310 0.141 0 50 CCAA COc1cccc(S(=O)(=O)N2CCOCC2)c1 465791 QEVQDHLMPDUVKB-UHFFFAOYSA-N 257.311 0.716 0 50 CCAA CO[C@@]1(C)CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 408334847 QZNQBUIOQPTGNY-RYUDHWBXSA-N 277.386 0.854 0 50 CCAA CN(C[C@H]1CCCCN1C)C(=O)NCCC(=O)O 1506421734 UUALPGSXXRRQRU-SNVBAGLBSA-N 257.334 0.587 0 50 CCAA Cc1nc(C)n(C2CN(c3cnn(C)c(=O)c3Cl)C2)n1 225812812 SAJOVYRTZDJULZ-UHFFFAOYSA-N 294.746 0.703 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccon3)C[C@H]2O)n[nH]1 1704279438 GGBHCRGELBJDCZ-BXKDBHETSA-N 276.296 0.382 0 50 CCAA C[C@H](NC[C@]1(CO)COC[C@@H](C)N1C)c1cn(C)cn1 1875398690 BITUKAKQRHQSCU-DYEKYZERSA-N 282.388 0.152 0 50 CCAA O=C(NCCCN1CCCC1=O)[C@H]1CC=CC[C@H]1C(=O)O 12343434 IOAYAFXPDNRAHS-NWDGAFQWSA-N 294.351 0.782 0 50 CCAA Cc1nc2ncc3c(=O)n(C[C@H]4CCCO4)ccc3n2n1 13638698 YRZPWBJESDDYPM-SNVBAGLBSA-N 285.307 0.927 0 50 CCAA CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C1CC1 157077762 WPYDIGYGTKEDJC-VIFPVBQESA-N 270.358 0.757 0 50 CCAA O=C(NCCCN1CCOCC1)[C@H]1CCCC[C@H]1C(=O)O 2772392 LDDFOWFYSOXOAS-QWHCGFSZSA-N 298.383 0.716 0 50 CCAA COc1ccnc(N2CCC[C@H](c3nnc[nH]3)C2)n1 242087981 WATJTFOVCGHJQJ-VIFPVBQESA-N 260.301 0.987 0 50 CCAA Cc1cc(C(=O)N2CC(N3CCNC3=O)C2)nn1C(F)F 568517646 URTMZMOSKHFBIR-UHFFFAOYSA-N 299.281 0.436 0 50 CCAA O=C(CN1CC[C@H](CO)[C@H](O)C1)Nc1ccccc1F 570348669 RDQHVGRAKVBQAA-ZWNOBZJWSA-N 282.315 0.439 0 50 CCAA C[C@H]1C[C@@H](CN)CN1C(=O)Cn1c(=O)[nH]c2ccccc21 262079702 XMWFTCZMCNOPHC-QWRGUYRKSA-N 288.351 0.525 0 50 CCAA CNc1nc(CNC(=O)c2ccnc(OC)n2)cs1 902880012 ZOBFCXUJSCAQRO-UHFFFAOYSA-N 279.325 0.913 0 50 CCAA Cc1c(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)ccn1C 1704326412 WGONQESQCRKXEQ-STQMWFEESA-N 277.368 0.736 0 50 CCAA O=S(=O)(Cc1ccc(F)cc1)N[C@@H]1CCOC[C@H]1O 218957480 FWFMCKPNIXTZIA-VXGBXAGGSA-N 289.328 0.395 0 50 CCAA C[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)C[C@@H]1N 235690359 ZWTGFYBJQACYMH-CABZTGNLSA-N 273.336 0.991 0 50 CCAA COc1cccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)c1 100043995 PBOIFPIVRCGHGT-CYBMUJFWSA-N 290.319 0.659 0 50 CCAA O[C@@H]1CN(c2cc(N3CCOCC3)ncn2)CC12CC2 375414173 IPRJPRKVNQELAR-LLVKDONJSA-N 276.340 0.274 0 50 CCAA O=C1OCC[C@@H]2CN(Cc3ccc4c(n3)OCCO4)C[C@H]12 2325809832 RMKCFZMGBCBNOW-PWSUYJOCSA-N 290.319 0.848 0 50 CCAA CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccn1 70935 UCUXHGJYJVXAGU-NSHDSACASA-N 286.295 0.920 0 50 CCAA COc1ccc(NC(C)=C2C(=O)NC(=O)NC2=O)cc1 4618414 KLLSYIAHRAWLCB-UHFFFAOYSA-N 275.264 0.747 0 50 CCAA COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100304264 OPRFJHWXEZHHLK-HTFCKZLJSA-N 277.320 0.991 0 50 CCAA COc1cccc(C[C@H](O)C(=O)NCC(=O)NC(C)C)c1 225496694 AECVJEMMCMJPBT-ZDUSSCGKSA-N 294.351 0.239 0 50 CCAA COc1ccccc1OC1CN(C(=O)[C@H]2COCCO2)C1 67741724 HQTLRUQIVKVFPY-CQSZACIVSA-N 293.319 0.700 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N(C)Cc2cc(C)on2)N(C)C1 330514046 DIAQVYQOOLPWRV-RYUDHWBXSA-N 267.329 0.661 0 50 CCAA O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@H]1CSCCS1 328635114 UMIJYZDVABDXFB-NXEZZACHSA-N 298.437 1.205 0 50 CCAA COCC[C@@H]1COCCN1C(=O)c1cc(=O)c(OC)co1 330901827 BHYBQJMOGJTFKH-SNVBAGLBSA-N 297.307 0.526 0 50 CCAA O=C(N[C@@H](CO)C(=O)O)c1ccc(C(F)(F)F)cn1 125598439 PLPPXJNTCOMXIP-ZETCQYMHSA-N 278.186 0.276 0 50 CCAA CO[C@@H](C)c1nsc(N2CCCNC(=O)[C@H]2C)n1 374583471 ICXPZNHKFBVLTO-SFYZADRCSA-N 270.358 0.960 0 50 CCAA CC1(C(=O)N2C[C@@H](N)[C@H](c3cccc(F)c3)C2)CNC1 333825969 LOKMAIHTCNNQRN-QWHCGFSZSA-N 277.343 0.688 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)N1CCc2nc[nH]c2C1 216125823 MYJRWJBQPHMNOQ-GFCCVEGCSA-N 274.328 0.334 0 50 CCAA CC1(C(=O)N2CCCN(C(=O)C3CC3)CC2)COC1 336064446 SHQCPGDSRWNMRV-UHFFFAOYSA-N 266.341 0.494 0 50 CCAA COc1ccc(B(OCCN)c2ccccc2)cc1OC 196074759 QSYGIJZEAYURSY-UHFFFAOYSA-N 285.152 0.785 0 50 CCAA O=C(COC[C@@H]1CCCO1)N1CCC(c2ncon2)CC1 426571872 ZOQMXHAQMZOCEU-LBPRGKRZSA-N 295.339 0.971 0 50 CCAA COc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CCCN1 178029348 VYNHJQBRESJJGZ-RYUDHWBXSA-N 264.325 0.597 0 50 CCAA CCc1cc(CN2CCN(C)[C@H](CCO)C2)on1 42926168 XSDBNEQCNITKKO-GFCCVEGCSA-N 253.346 0.735 0 50 CCAA C[C@H](C(=O)NCc1nc(-c2cnccn2)n[nH]1)n1cccn1 426379740 NGGKFJNTRGQPDR-SECBINFHSA-N 298.310 0.336 0 50 CCAA O=C(NCCc1ccncc1)N1CCN2C(=O)OC[C@@H]2C1 426373898 YTJOQXVLRCBLGM-LBPRGKRZSA-N 290.323 0.470 0 50 CCAA COC[C@@H](NS(=O)(=O)c1cnn(C)c1C)c1ccco1 293226136 FTBFNJMSWBEPMQ-SNVBAGLBSA-N 299.352 0.988 0 50 CCAA CC[C@H]1C(=O)N(C)CCN1Cc1cnn(CCC(=O)O)c1 97272463 UMXQFYGUMUWQLB-LBPRGKRZSA-N 294.355 0.410 0 50 CCAA Cn1c(N2CCN(CCO)CC2)nc2cccc(F)c21 239762080 CKTDRYHYHZHVCH-UHFFFAOYSA-N 278.331 0.827 0 50 CCAA COc1coc(CN2C(=O)OC(C)(C)C2=O)cc1=O 95527217 URTJIVGCGUMEBQ-UHFFFAOYSA-N 267.237 0.906 0 50 CCAA O=C1NCCCc2[nH]c(-c3noc([C@H]4CCCO4)n3)nc21 95529540 NZMGQVJUBAKYAZ-MRVPVSSYSA-N 289.295 0.987 0 50 CCAA CCNc1ncc(C(=O)NC(C)(C)CCC(=O)NC)cn1 97295033 JHPLXGWYUSUBDM-UHFFFAOYSA-N 293.371 0.943 0 50 CCAA COCC[C@@]1(C(=O)O)CCCN(C(=O)c2cn[nH]n2)C1 91690513 NPJKKAPRJDUFTR-LBPRGKRZSA-N 282.300 0.148 0 50 CCAA CC(=O)NCCNC(=O)[C@@H](c1ccc(F)cc1)N(C)C 95364502 BCPJVNVFUCGFAM-CYBMUJFWSA-N 281.331 0.681 0 50 CCAA O=C(CCn1cnnn1)Nc1cccc(-c2nc[nH]n2)c1 524733424 QFNLLRLZVLUXKM-UHFFFAOYSA-N 284.283 0.487 0 50 CCAA O=C(CCn1cnnc1)N[C@@H](Cc1ccccc1)C(=O)O 534644784 VPBYNITVEQETPP-LBPRGKRZSA-N 288.307 0.480 0 50 CCAA CCN(C)C1(CNC(=O)CS(=O)(=O)CC)CCCC1 534583459 FTYJRPBXCXNCKZ-UHFFFAOYSA-N 290.429 0.802 0 50 CCAA Cn1cc(CCC(=O)NCC[C@@H]2CCOC2)cn1 534583250 BPICAKOMJURPOO-LLVKDONJSA-N 251.330 0.896 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C1Cc2ccccc2C1 299785827 NVJJBPBKNMTABI-OCCSQVGLSA-N 259.353 0.301 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(CO)ccn1 299793946 JAEZOIXCLWNDLR-KBPBESRZSA-N 293.367 0.411 0 50 CCAA CC(=O)N1CCN(C(=O)c2ccc(O)cc2F)C[C@@H](O)C1 299797066 OMPTWMPDGKGTLN-NSHDSACASA-N 296.298 0.197 0 50 CCAA O=C(Cc1ccccn1)NCCN1CCCC[C@H]1CO 828711013 YCHLYNGPJUYLNW-AWEZNQCLSA-N 277.368 0.587 0 50 CCAA CC[C@H](C(=O)NCCN1CCCC1=O)N(C)CC 822555082 NHXKPWHHISNKOK-LLVKDONJSA-N 255.362 0.455 0 50 CCAA CC(=O)NCCc1nc(-c2ccco2)nn1CCO 828776630 CJVBCBOVBLFKNB-UHFFFAOYSA-N 264.285 0.209 0 50 CCAA Cc1nonc1CNC(=O)c1cc(C(C)C)nc(N)n1 827587190 SRRBBMQNZAGMDD-UHFFFAOYSA-N 276.300 0.804 0 50 CCAA CN1CCC(O)(C(=O)NC(C)(C)CN2CCCCC2)CC1 584896888 YBJFQVFUNFDZMF-UHFFFAOYSA-N 297.443 0.824 0 50 CCAA CCOC(C)(C)C(=O)N1CC[C@H](CC(=O)NC)C1 670454094 UTEBJAOGFMIAOR-SNVBAGLBSA-N 256.346 0.786 0 50 CCAA C[C@@H](O)[C@H](NC(=O)C[C@H]1CCOc2ccccc21)C(=O)O 1875291915 PVFXFLBXPWRXCL-RULNRJAQSA-N 293.319 0.893 0 50 CCAA C[C@H]1CC[C@H](S(=O)(=O)N2CC(=O)NC(C)(C)C2)C1 1875298201 RGMRSAVEQNKABT-UWVGGRQHSA-N 274.386 0.715 0 50 CCAA Cc1coc(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)n1 1875401162 RVLWCVHGPZAUKW-QJPTWQEYSA-N 290.323 0.749 0 50 CCAA C[C@@]1(CNC(=O)/C=C/c2cnc(N)nc2)CCCO1 952978434 QIHLIYCSTRPCSJ-OOPCZODUSA-N 262.313 0.757 0 50 CCAA O=C(NCC1(OCCO)CCCCC1)c1cnccn1 1772101048 UGVURPPBPBFRLN-UHFFFAOYSA-N 279.340 0.918 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1N 170677737 RFJHFISUQFAGCV-VTPLQMEGSA-N 279.384 0.441 0 50 CCAA C[C@@H]1C(=O)N(NC(=O)c2coc(C3CCC3)n2)C(=O)N1C 899036941 YUXLZBHEBRGTJB-SSDOTTSWSA-N 292.295 0.869 0 50 CCAA CN1CCN(C(=O)Nc2ccon2)C[C@H]1c1nccn1C 276003012 PDPMDPPWYZGHOW-JTQLQIEISA-N 290.327 0.929 0 50 CCAA CO[C@](C)(C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O)C1CC1 408238977 WFWSJCCSGSSCQW-UONOGXRCSA-N 295.339 0.002 0 50 CCAA CN1C[C@H](NC(=O)c2ncccc2Br)CC1=O 279780124 LHARLLZCBFUXHE-SSDOTTSWSA-N 298.140 0.805 0 50 CCAA O[C@@]1(c2cnn[nH]2)CCCN(Cc2cn3cccnc3n2)C1 583617870 BSWPTMLHFGFSNR-AWEZNQCLSA-N 299.338 0.331 0 50 CCAA C[C@H]1CC[C@@H](O)CN1S(=O)(=O)CCn1ccnc1 641541787 WFIKEMXHHAGKMN-WDEREUQCSA-N 273.358 0.058 0 50 CCAA C[C@H]1CN(S(=O)(=O)CCn2ccnc2)CC[C@@H](C)O1 641611817 ZNTNGFIJBKVLFM-NEPJUHHUSA-N 287.385 0.712 0 50 CCAA Cc1cc(C)n(CCN2CCC[C@@](O)(CC(N)=O)C2)n1 643805177 FGDPNZWMMOZOLC-CQSZACIVSA-N 280.372 0.202 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)C2(NC3CC3)CCC2)[C@@H]1OC 662808422 KVLMBWHYTJIKCQ-XQQFMLRXSA-N 282.384 0.970 0 50 CCAA Cn1cc(C(=O)NC[C@@H]2Cc3ccccc3CN2)nn1 721066272 CKRJLKXNJLDYFS-LBPRGKRZSA-N 271.324 0.259 0 50 CCAA CCOCC(=O)Nc1sc(NC)nc1C(N)=O 1529109544 DNGQMKKWQXTNHO-UHFFFAOYSA-N 258.303 0.259 0 50 CCAA C=CC(=O)N1CCCN(Cc2noc(C)n2)CC1 848979557 YWJRZNWTTHLMOC-UHFFFAOYSA-N 250.302 0.598 0 50 CCAA COc1ccnc(C(=O)N(CCO)Cc2ncc[nH]2)c1 1704339200 DSFDYZFFYWNBAM-UHFFFAOYSA-N 276.296 0.448 0 50 CCAA CN(CC(=O)N[C@H]1CC[C@H](N)C1)Cc1ccccn1 216600767 IVKXRXFXKGLJBO-RYUDHWBXSA-N 262.357 0.509 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCC[C@@]2(CCC[C@H]2O)C1 1704302840 DOPLPISXTKIGQL-YPMHNXCESA-N 289.397 0.575 0 50 CCAA Cc1nc(CN2CCN(C(=O)C(C)(C)N)CC2)oc1C 237636451 IBPMFJRTAYUSIH-UHFFFAOYSA-N 280.372 0.673 0 50 CCAA OCCN1CCN(Cc2ccc3c(c2)OCO3)CC1 22454777 WUTMFZVDSMWHSN-UHFFFAOYSA-N 264.325 0.525 0 50 CCAA CN1CCN(CC[C@@H]2COCCO2)CC12CCNCC2 1775984152 ZYCWSKYHNHZULC-CQSZACIVSA-N 283.416 0.162 0 50 CCAA O=C1CO[C@]2(CCN(Cc3cnsc3)C2)CN1 1772818459 FPFJZBUAXHDDTD-LLVKDONJSA-N 253.327 0.234 0 50 CCAA CC(C)CNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 12422719 OGCVWHVCRWTWBK-UHFFFAOYSA-N 295.364 0.685 0 50 CCAA CCC[C@@H]1NC(=O)[C@H]2CN(CCC(C)C)CCN2C1=O 14540484 UBDBMNSXJOONEQ-QWHCGFSZSA-N 281.400 0.844 0 50 CCAA CC(=O)N1CCC(NC(=O)N[C@H]2CCC[C@H]2CN)CC1 1857528422 DFJUXSVNFHBQDD-AAEUAGOBSA-N 282.388 0.424 0 50 CCAA CN(CC1CCN(CCO)CC1)c1n[nH]c(=N)s1 1857678323 VSTQFKZGKOOOJS-UHFFFAOYSA-N 271.390 0.091 0 50 CCAA Cc1ccc2nc(CN3C[C@@H]4CC(=O)N[C@@H]4C3)cn2c1 1875242927 ILNAJSDIMHTKPK-WCQYABFASA-N 270.336 0.963 0 50 CCAA COc1c(F)cccc1C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875244871 YAWLMEMBPQFTSP-FPQZTECRSA-N 297.282 0.091 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 239563078 SZDGAPWYJPRMQH-ZHPDPMBESA-N 263.293 0.796 0 50 CCAA in-vitro Cc1ccccc1S(=O)(=O)N1CC[C@H](O)[C@@H](C(=O)O)C1 1704339604 SSFHXPNULCNAMS-QWRGUYRKSA-N 299.348 0.451 0 50 CCAA Cc1nc(N2CCN(Cc3nnc(C(C)C)o3)CC2)n[nH]1 931624880 XVFXXIQUGKVJBJ-UHFFFAOYSA-N 291.359 0.942 0 50 CCAA O=C(NOC1CCOCC1)c1cnc(C2CC2)nc1O 1119568883 UOGYXCVRLUEUCV-UHFFFAOYSA-N 279.296 0.900 0 50 CCAA Cn1c(=O)c2[nH]c(N3CCCCCC3)nc2n(C)c1=O 502127 YNWGDLGPNITDNQ-UHFFFAOYSA-N 277.328 0.341 0 50 CCAA biogenic O[C@@H](CN1CCOCC1)CN(C[C@@H]1CCOC1)C1CC1 229360967 SIIXGHOTWIAJRS-ZFWWWQNUSA-N 284.400 0.180 0 50 CCAA CCc1onc(C)c1C(=O)N1C[C@H](C)O[C@@H](CO)C1 187885289 URVKIZWBGPGXPP-WCBMZHEXSA-N 268.313 0.767 0 50 CCAA CS(=O)(=O)N(CC(=O)NC1CC1)c1cccc(F)c1 118734 PHZDHHJTKQWYTR-UHFFFAOYSA-N 286.328 0.870 0 50 CCAA Cn1cnc2c(NC[C@@H]3C[C@H]4C[C@@H]3[C@H](O)[C@@H]4O)ncnc21 2325789884 UEOVSECASLLRAH-VXIZUSDNSA-N 289.339 0.153 0 50 CCAA Cc1cc(C)n([C@@H](C)CNC[C@@H](O)Cn2cccn2)n1 2325812544 TWTVCFPPTZAZQI-UONOGXRCSA-N 277.372 0.908 0 50 CCAA Cc1nnn(NC(=O)Cc2nc(C3CC3)nn2C)c1C 914025623 YOGYLAJRAJBWCB-UHFFFAOYSA-N 275.316 0.214 0 50 CCAA COc1ccc(OCC(=O)N2CCOCC2)cc1 320055 DLBMNRYKMGJMGK-UHFFFAOYSA-N 251.282 0.933 0 50 CCAA C[C@H]1C(=O)N2CCC[C@@H]2c2nnc(Cn3cccn3)n21 2356138757 HPXSEAHOEADVGB-VHSXEESVSA-N 272.312 0.761 0 50 CCAA CC(=O)Oc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C1 4839505 FUADRZDEDFSATR-JTQLQIEISA-N 297.332 0.529 0 50 CCAA CCN(CCO)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 170196017 VZCYXVDXSKDTRR-JTQLQIEISA-N 256.346 0.474 0 50 CCAA COc1ccc(OC)c2c1CC[C@](N)(C(=O)O)C2 39417022 SVFFDKYNFVUNGU-CYBMUJFWSA-N 251.282 0.975 0 50 CCAA C[C@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H](C2CC2)O1 329929683 ZAOYMEYUICGTEW-WCBMZHEXSA-N 252.318 0.108 0 50 CCAA CC1(C)NC(=O)N(CCCn2ccccc2=O)C1=O 124513787 PUGKPFDSOZSDMA-UHFFFAOYSA-N 263.297 0.569 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2cnc(O)cc2C)N(C)C1 330557256 HVJGMCGDMXQNAF-RYUDHWBXSA-N 293.367 0.887 0 50 CCAA Cc1cc(N)n(CC(=O)NCCCc2ccccn2)n1 216191617 GVTIDSGDOXBIEL-UHFFFAOYSA-N 273.340 0.918 0 50 CCAA Cc1cc(NCCc2c[nH]c(=O)[nH]c2=O)n2nccc2n1 72423865 VJBKUFJLGZMETD-UHFFFAOYSA-N 286.295 0.069 0 50 CCAA COc1coc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc1=O 333310221 NWZBCHRVGOMZIL-IKUVVZAISA-N 277.320 0.850 0 50 CCAA CC(C)c1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)on1 70768460 NZAJAJJYAVODBT-VIFPVBQESA-N 286.353 0.963 0 50 CCAA CC[C@@H]1CN(C(=O)CS(=O)(=O)C2CC2)C[C@@H](CC)O1 333694807 GKAWRZYSUJWOMJ-GHMZBOCLSA-N 289.397 0.980 0 50 CCAA Cc1csc([C@@H](C)NC(=O)CN(C)CCO)n1 215943295 LWUAXPMJEQEPLL-SECBINFHSA-N 257.359 0.553 0 50 CCAA CC[C@H](O)CCNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 158129289 QRQSBPPPVCOHJP-NSHDSACASA-N 290.323 0.779 0 50 CCAA CC1=C[C@H](C)CN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 336455750 LWMOLZOCKXCJOI-ONGXEEELSA-N 272.370 0.781 0 50 CCAA Cn1ccc(NC(=O)N2CCN(Cc3ccon3)CC2)n1 175827792 XKIGKZAGYQUHGJ-UHFFFAOYSA-N 290.327 0.758 0 50 CCAA C[C@H]1CN(C(=O)Cc2cncn2C)C[C@]2(CCOC2)O1 527276001 QJAWFYQJGJOUBM-FZMZJTMJSA-N 279.340 0.369 0 50 CCAA COc1cc(F)c(C(=O)N[C@H]2CCN(C)C2=O)c(F)c1 223618375 BNWGOEDLDTXXRW-JTQLQIEISA-N 284.262 0.934 0 50 CCAA O=C(NCc1cc(-c2ccccn2)no1)c1c[nH]c(=O)cn1 221305377 VCNJQIFUJVMCSF-UHFFFAOYSA-N 297.274 0.750 0 50 CCAA CCC[C@H](NC(=O)CNC(C)=O)c1nccn1C 222483647 UVGSWBCDIIUXEO-JTQLQIEISA-N 252.318 0.514 0 50 CCAA O=C(NCCCc1nn[nH]n1)c1cnn(-c2ccccc2)c1 426399309 YJKUIJNQVDJZCX-UHFFFAOYSA-N 297.322 0.748 0 50 CCAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CN(C)C(N)=O 222657763 FDCUTZSCOQOIKZ-VXGBXAGGSA-N 299.371 0.253 0 50 CCAA COCC1CCN(C(=O)C[C@@H]2CNCCO2)CC1 91312443 DBOMDWHTUGSWMD-GFCCVEGCSA-N 256.346 0.250 0 50 CCAA CS(=O)(=O)NCCc1ncnn1-c1ccccc1F 91468313 PVYPKRITCCIALF-UHFFFAOYSA-N 284.316 0.498 0 50 CCAA CC(C)n1nc([C@@H]2CCOC2)nc1CN1C(=O)CNC1=O 97505850 UTKDWSMHZWJPRM-SECBINFHSA-N 293.327 0.415 0 50 CCAA O=c1c2ccccc2ncn1CCCc1ncnn1CCO 91626254 LMXPVNSEKSDSOE-UHFFFAOYSA-N 299.334 0.613 0 50 CCAA COCCc1nc(C2CCOCC2)nn1CCO 96137836 ZUZJAOBVGNLDDX-UHFFFAOYSA-N 255.318 0.353 0 50 CCAA COc1cccc(Cn2ncnc2C[C@H]2COCCN2)c1 95377014 KRBUVJGVIUUFQZ-ZDUSSCGKSA-N 288.351 0.866 0 50 CCAA COc1cccc(CC(=O)N2C[C@H](F)C[C@H]2C(N)=O)n1 299745898 TYPFVUBTNZBQAY-SCZZXKLOSA-N 281.287 0.057 0 50 CCAA O=C(NC1Cc2ccccc2C1)[C@@H]1NCCc2nc[nH]c21 534581171 UGIULIBWFOJDNN-OAHLLOKOSA-N 282.347 0.880 0 50 CCAA CC(C)Cc1noc(CNC(=O)c2ccc(=O)n(C)c2)n1 299758788 PJSBRDDVCMIHMW-UHFFFAOYSA-N 290.323 0.897 0 50 CCAA CCN(CC)S(=O)(=O)NCc1cncn1CCOC 824466014 BFIPLVGMNZVYAI-UHFFFAOYSA-N 290.389 0.206 0 50 CCAA CC(C)c1nc(CCn2cncn2)n(CCO)n1 828776995 PCYOSNHJXCNMHZ-UHFFFAOYSA-N 250.306 0.228 0 50 CCAA Cc1nc(C(F)(F)F)ncc1CN1CC[C@H](O)[C@@H](O)C1 584888001 UVVOQVMBRKOFLO-UWVGGRQHSA-N 291.273 0.731 0 50 CCAA Cc1cnc(CN2CCC[C@H](c3nnc(CO)n3C)C2)[nH]1 670461326 YRDGDHLBLIKKIG-NSHDSACASA-N 290.371 0.719 0 50 CCAA O=C(c1c(O)cccc1F)N1CC[C@H](Cc2nn[nH]n2)C1 1875285964 IPWFEEXZPZAKRC-MRVPVSSYSA-N 291.286 0.749 0 50 CCAA O=C([C@H](O)C1CCOCC1)N1CCc2n[nH]cc2C1 1875261326 SMRDIPVIIGIBRO-GFCCVEGCSA-N 265.313 0.082 0 50 CCAA CN(C(=O)C1(c2ccccc2)CCNCC1)[C@H]1[C@@H]2CNC[C@@H]21 1875292854 VDDLEMINUZCKRW-ZSHCYNCHSA-N 299.418 0.984 0 50 CCAA CCN(CC)C(=O)N1CCC(O)(C(F)(F)C(=O)O)CC1 1875279696 SEYWOXVDTXQVMQ-UHFFFAOYSA-N 294.298 0.995 0 50 CCAA Cn1c(=O)nc(O)c2nc3c(nc21)-c1ccccc1C3=O 1875301610 QCWIYSVUMCKIOU-UHFFFAOYSA-N 280.243 0.641 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCCC12CCOCC2 1875366283 MXWAYMPKIXUDTH-UHFFFAOYSA-N 266.341 0.802 0 50 CCAA CCNC(=O)[C@@H]1CCN(C(=O)C2(N)CCCC2)C1 952985420 BKQBQTGGZYYBMK-SNVBAGLBSA-N 253.346 0.243 0 50 CCAA Cc1cn(C(C)(C)C(=O)N2CCO[C@@H]3COCC[C@@H]32)cn1 888785639 HRZFNQFWGTZITL-QWHCGFSZSA-N 293.367 0.943 0 50 CCAA CC[C@H](NC(=O)CN1C(=O)Cc2ccccc21)c1nc[nH]n1 1775988046 OFUZKNLZUCZNFZ-NSHDSACASA-N 299.334 0.961 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1cccc(N)n1 1565515186 MUSRCQXOTWPVTG-IUCAKERBSA-N 260.297 0.214 0 50 CCAA CN1CCCN(C(=O)Nc2cccc(C(N)=O)n2)CC1 272366749 ONKKAICBLLJLBA-UHFFFAOYSA-N 277.328 0.350 0 50 CCAA CC1(C(=O)NS(=O)(=O)C[C@@H]2CCCO2)CCC1 408430946 AIIGYYMPFOYIOO-VIFPVBQESA-N 261.343 0.802 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)NCc1cncnc1N 276853421 YCXPXIIZIOYXIH-SCZZXKLOSA-N 250.302 0.490 0 50 CCAA Cn1nccc1CNC(=O)c1cn([C@H]2CCCNC2)cn1 585655472 LIDUZTRAYOCCGU-LBPRGKRZSA-N 288.355 0.471 0 50 CCAA CCC[C@]1(C)C(=O)NCCN1C(=O)c1cnccn1 189881065 FIDABWURLQUYJU-CYBMUJFWSA-N 262.313 0.607 0 50 CCAA COc1c(C)ncnc1N1CCN(C[C@H](C)O)CC1 656118388 OSNLTGQYUGXXEW-JTQLQIEISA-N 266.345 0.296 0 50 CCAA CC(C)(C)CS(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)O)C1 579978734 BMHNRHLINKHORA-NXEZZACHSA-N 293.385 0.520 0 50 CCAA CC(=O)N[C@H]1CN(CC(=O)O)C[C@@H]1c1ccc(C)cc1 213440216 HOJWQDIIHMFSCW-KGLIPLIRSA-N 276.336 0.984 0 50 CCAA Cc1nc(N2C[C@@H](F)C[C@H]2CO)sc1S(N)(=O)=O 408035425 YEQAWWQQQSNLRO-BQBZGAKWSA-N 295.361 0.008 0 50 CCAA C[C@H](Nc1ccc(C(N)=O)nn1)C1CCOCC1 230218072 FNKLINKVSMXCPK-QMMMGPOBSA-N 250.302 0.803 0 50 CCAA Cc1nncn1CCN1CCN(C)C2(CCOCC2)C1 1800414557 TUZLAHSQDINAIW-UHFFFAOYSA-N 279.388 0.383 0 50 CCAA CCn1ncc(CNC(=O)[C@@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)n1 1615545786 IVOHWYMNZFLZNC-IQIPOGNMSA-N 263.345 0.288 0 50 CCAA Cc1nc(CNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)sc1C 1857735591 GGQWRZVWJRFVEU-IVZWLZJFSA-N 269.370 0.474 0 50 CCAA CC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1nc(C)cs1 237039586 AWILFDNPMORQEZ-KXUCPTDWSA-N 269.370 0.742 0 50 CCAA OC[C@]12CNC[C@@H]1CN(CCCOc1ccccc1)C2 1775977922 NDYLSUOBQILDBI-GDBMZVCRSA-N 276.380 0.969 0 50 CCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)C1(c2ccccc2)CC1 1875247535 JFLIFGOLZRFZIB-AAVRWANBSA-N 289.331 0.362 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 57244 WWVCWLBEARZMAH-MNOVXSKESA-N 265.265 0.843 0 50 CCAA biogenic,in-vitro C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CC1 1075348 WHLAPMQDSXFAGI-MRVPVSSYSA-N 286.328 0.771 0 50 CCAA CCc1occc1C(=O)N1CCO[C@@H](Cn2ccnn2)C1 636213409 BPSGJMFEQLNLEH-LLVKDONJSA-N 290.323 0.975 0 50 CCAA C[C@]1(C(=O)N2CC(O)(CO)C2)CCOc2ccccc21 820854673 AERIITXPYOBBPE-AWEZNQCLSA-N 277.320 0.292 0 50 CCAA O=C(NOCCN1CCCC1=O)[C@@H]1Cc2ccccc21 856040204 BBSRNILLLNXJFR-CYBMUJFWSA-N 274.320 0.997 0 50 CCAA C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C[C@H](O)C(F)(F)F 121349575 LUKKEBAUJXVIGL-PRJMDXOYSA-N 275.292 0.417 0 50 CCAA Cn1cccc(C(=O)N2CC(C(C)(C)O)C2)c1=O 408425062 ZXXIIOAARCCCJA-UHFFFAOYSA-N 250.298 0.228 0 50 CCAA CC1(C)CN(C(=O)[C@]23CNC[C@H]2CCO3)CCO1 705010473 FIUFENUWFYBXJK-MFKMUULPSA-N 254.330 0.002 0 50 CCAA CN(CCN1CCCC1)C(=O)c1cnc(N)s1 584895453 SYJPAGJKBMQVLR-UHFFFAOYSA-N 254.359 0.893 0 50 CCAA Cc1nc(N)ncc1C(=O)NCCn1cnc(C)c1C 827587928 STYGVCKVQQEVJU-UHFFFAOYSA-N 274.328 0.611 0 50 CCAA CC(C)c1cc(N[C@H]2CS(=O)(=O)C[C@@H]2O)ncn1 1565529715 UOXPPFBKVQGEEI-UWVGGRQHSA-N 271.342 0.170 0 50 CCAA COc1ccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)cc1 4815641 CVLUTDPQFAGIPK-SNVBAGLBSA-N 287.279 0.809 0 50 CCAA Cc1c(NC(=O)c2cc(C(N)=O)c[nH]2)cccc1C(N)=O 2325743878 RGOVOIISXXFMDT-UHFFFAOYSA-N 286.291 0.773 0 50 CCAA Cc1nc2c(cc1C(=O)N[C@H]1CCC(=O)NC1=O)CCC2 1857797749 KQSYSZGMRLULTJ-LBPRGKRZSA-N 287.319 0.414 0 50 CCAA C[C@@H](C(=O)NC1CC1)N1C(=O)c2ccccc2C1=O 308196 BLZMHJKGDHKQOK-QMMMGPOBSA-N 258.277 0.950 0 50 CCAA CN(C)CCOc1cccc(OCCN(C)C)n1 393624 RGIHODWAEHCRBV-UHFFFAOYSA-N 253.346 0.962 0 50 CCAA COC1(CN(C)C)CCN(Cc2cc(O)nc(O)n2)CC1 2356139311 PATYHFQLVGYSST-UHFFFAOYSA-N 296.371 0.430 0 50 CCAA O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)O)c2ccccc21 3882135 BBYDVCBRFNLCJZ-GXSJLCMTSA-N 261.233 0.931 0 50 CCAA biogenic O=C(O)[C@H](CC(=O)N1CCOCC1)NCc1ccccc1 4196675 QXEFQQLLEWBZKM-ZDUSSCGKSA-N 292.335 0.478 0 50 CCAA CCCc1nc(N)[nH]c(=O)c1I 8659412 RGURAHSIPOAYBW-UHFFFAOYSA-N 279.081 0.909 0 50 CCAA Cn1ncc2c(=O)n(Cc3ccc(F)cn3)nnc21 344521672 PWXJOAGNHJVUIP-UHFFFAOYSA-N 260.232 0.107 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(CC(=O)N(C)CC(F)(F)F)C1 344910750 SROHOIDPLOZCFH-DTWKUNHWSA-N 284.278 0.089 0 50 CCAA Cc1cnc(CNCC(=O)Nc2cnccn2)cn1 65375929 RSJNZAHQMKTHLZ-UHFFFAOYSA-N 258.285 0.303 0 50 CCAA Cc1nncn1CCN1CCN(c2ccncc2)CC1 1506414607 GOOMDUXMNUWIPT-UHFFFAOYSA-N 272.356 0.804 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)NC[C@@]2(O)CCOC2)n1 330467550 YIXYGQOMTUCTKF-AAEUAGOBSA-N 267.329 0.329 0 50 CCAA CCN(CCN1CCCCC1)C(=O)[C@@H]1CCCN1C(N)=O 67974976 CZIWABFNGGTZTO-ZDUSSCGKSA-N 296.415 0.864 0 50 CCAA CN(CCCc1cnn(C)c1)C(=O)[C@H]1CCOC1 67854723 DOQKELVMCVDNJD-LBPRGKRZSA-N 251.330 0.848 0 50 CCAA CC(C)(C)c1cc(CN2CCO[C@@H](CN)C2)n[nH]1 67965748 OJQHRLUOHCOTBD-NSHDSACASA-N 252.362 0.867 0 50 CCAA CNC(=O)c1cccnc1N1CCC(F)(F)[C@@H](CO)C1 359954197 KTMRIYBOFVWYHY-SECBINFHSA-N 285.294 0.895 0 50 CCAA O[C@@]1(CNCc2nc(Cc3cccs3)no2)CCNC1 77319955 DAJSUNYMBBIFMD-ZDUSSCGKSA-N 294.380 0.536 0 50 CCAA CC[C@H](Cn1cncn1)N[C@@H]1CCO[C@]2(CCOC2)C1 329511045 KITSSPPORRRXEF-MGPQQGTHSA-N 280.372 0.984 0 50 CCAA COCC[C@@H]1COCCN1CCN1C(=O)NC(C)(C)C1=O 365839694 VKEIBKPOHYQAOW-LLVKDONJSA-N 299.371 0.054 0 50 CCAA CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 72437331 RFHNVCCGBIEKKP-NSHDSACASA-N 291.417 0.421 0 50 CCAA C[C@]1(C(=O)N2CCC[C@@H](CC(N)=O)C2)CCNC1 237748103 IVOHTUDAOQEKLP-GWCFXTLKSA-N 253.346 0.100 0 50 CCAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2CCC[C@@H]12 36431843 CNHLCVOIQYIJRM-STQMWFEESA-N 274.320 0.693 0 50 CCAA Cc1cc(CN2CCC[C@@](O)(Cn3ccnn3)C2)on1 284615742 RHLCIBJUBZPMTQ-ZDUSSCGKSA-N 277.328 0.602 0 50 CCAA CCNC(=O)[C@@H]1CCN(C(=O)Cc2cccc(O)c2)C1 223643115 KBNZCFVANFWRBU-GFCCVEGCSA-N 276.336 0.919 0 50 CCAA O=C(Cc1cc(F)cc(F)c1)N[C@@H]1CCOC[C@H]1O 220283621 ISLUIOCXXSCURL-VXGBXAGGSA-N 271.263 0.773 0 50 CCAA COc1ccc(-n2c(CCN)nnc2SCCO)cc1 426423703 QCOGFZFOAJHINZ-UHFFFAOYSA-N 294.380 0.862 0 50 CCAA CCOCC(=O)N1CCC[C@H](c2ccnn2CC(=O)O)C1 426633995 QMXBLGNKYHKWIK-NSHDSACASA-N 295.339 0.710 0 50 CCAA O=C(c1onc2c1CCCC2)N1CCOC[C@H](O)C1 426427880 CWALGMBTFDWHPB-SECBINFHSA-N 266.297 0.387 0 50 CCAA O=C(c1cncc(=O)[nH]1)N1CCCC[C@@H]1CN1CCCC1 426705648 IBQPKCANKJMPAV-GFCCVEGCSA-N 290.367 0.860 0 50 CCAA Cc1[nH]nc2c1CN(C(=O)[C@@H](C)N1CCN(C)CC1)CC2 426494455 WMCDKRDNIFGXNI-GFCCVEGCSA-N 291.399 0.239 0 50 CCAA O=C(NCC[C@@H]1CCCN1)c1ccc(-n2cnnc2)nc1 97797745 AAQKLHDQWWCONG-LBPRGKRZSA-N 286.339 0.534 0 50 CCAA Cc1cc(C(=O)NCC[C@@H]2CCCN2)c(=O)n(C)c1C 97179373 HYBAUEDVZLZLHF-LBPRGKRZSA-N 277.368 0.874 0 50 CCAA CCc1ccccc1OC1CN(C(=O)CNC(N)=O)C1 95363195 YCNYEPAKONDAKI-UHFFFAOYSA-N 277.324 0.507 0 50 CCAA Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCN(C)C1=O 95528720 WTDYMNUJNCADFS-SNVBAGLBSA-N 290.323 0.446 0 50 CCAA Cc1nn(CCO)cc1CN1CC[C@](C)(O)[C@H](C)C1 91636480 UJYUTOTVPBXZRB-RISCZKNCSA-N 267.373 0.777 0 50 CCAA CC[C@@H](C(=O)NCCSc1nnnn1C)n1cccn1 91255501 ROOZNYFHIGFBOU-VIFPVBQESA-N 295.372 0.266 0 50 CCAA COc1ccccc1N1CCN(CCC(=O)O)CC1=O 91829135 JPGVKOTYHMBUPV-UHFFFAOYSA-N 278.308 0.819 0 50 CCAA Cc1ccc(CCNC(=O)CN2C(=O)CNC2=O)s1 91289593 ZISXJOIEYAHAIF-UHFFFAOYSA-N 281.337 0.267 0 50 CCAA O=S1(=O)CCN(CCn2cc(Cl)cn2)CC1 252479991 BRHBRONEZVIMKI-UHFFFAOYSA-N 263.750 0.267 0 50 CCAA O[C@@H]1[C@H]2O[C@@H]3O[C@@H]([C@H]2OCc2ccccc2)[C@@]2(CO2)[C@@H]1O3 257357364 NSMIJPILAKVWIL-VBNHKQTDSA-N 292.287 0.182 0 50 CCAA O=C(N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12)C1(Cn2ccnc2)CC1 534644803 WBNNWQXLUXDYFW-KPWCQOOUSA-N 286.379 0.872 0 50 CCAA Cc1cc(NCCn2cncn2)nc(N2CCOCC2)n1 534584397 GSULGRHVWLBCBP-UHFFFAOYSA-N 289.343 0.325 0 50 CCAA CC[C@H](CNC(=O)c1cncn1C)N1CCOCC1 534634023 WVRKPBGLVHPEBH-LLVKDONJSA-N 266.345 0.261 0 50 CCAA Cc1nc2c([nH]1)CN(C(=O)NC[C@@H](C)N(C)C)CC2 534587767 AVXSUJMRLOBKBK-SECBINFHSA-N 265.361 0.736 0 50 CCAA CSCCN1CCN(C(=O)C(=O)c2cccnc2)CC1 299787584 NRCUBZNJUOBRPF-UHFFFAOYSA-N 293.392 0.772 0 50 CCAA CCOc1ccnc(N2CCCN([C@H](C)C(=O)O)CC2)n1 269003038 IIRAOODJDWRTOU-LLVKDONJSA-N 294.355 0.861 0 50 CCAA CCCCn1ncnc1C[C@@H]1C(=O)NCCN1C(C)C 822889636 MGLNQKBIGNQBMV-GFCCVEGCSA-N 279.388 0.830 0 50 CCAA Nc1cc(O)nc(CCNC2CSCCSC2)n1 584887289 LEHDLRXZVLDZJC-UHFFFAOYSA-N 286.426 0.745 0 50 CCAA CCN1CC[C@H](CN(C)C(=O)CN(C)CCOC)C1 584884670 QXXYIYDHDRGQJS-CYBMUJFWSA-N 271.405 0.365 0 50 CCAA CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](O)C2 823033188 ZMGCJBBMUZYRTN-LLVKDONJSA-N 293.367 0.615 0 50 CCAA COc1cc(C(=O)NCCc2nc(C)cc(O)n2)ccn1 584893891 CRGKZIKGVVPEJV-UHFFFAOYSA-N 288.307 0.867 0 50 CCAA Cn1cc(CCC(=O)NC2CCS(=O)(=O)CC2)cn1 670444409 QVLOTZYYBODORL-UHFFFAOYSA-N 285.369 0.046 0 50 CCAA COCc1noc(CN2C[C@@H]3CCC[C@H](C2)C(=O)N3C)n1 670454867 FAXMMXZIFYXRPG-MNOVXSKESA-N 294.355 0.659 0 50 CCAA CN1C[C@H](NC(=O)NCc2cccc(N(C)C)n2)CC1=O 269926736 CMAXUUVPRDMNRS-LLVKDONJSA-N 291.355 0.178 0 50 CCAA CCc1nc(CN(C)CC[C@H]2CCS(=O)(=O)C2)no1 670436350 UBCPTQPPQJLOCP-JTQLQIEISA-N 287.385 0.889 0 50 CCAA CCCC[C@H]1CCN(C(=O)C(=O)N2C[C@H](OC)[C@H](N)C2)C1 1875335343 DCXWMOLEJTTYSK-XQQFMLRXSA-N 297.399 0.210 0 50 CCAA CNC(=O)C[C@@H]1CN(Cc2nc3c([nH]2)CCCC3)C[C@H]1O 1875399193 RIXSFWVZHUQCCW-ZWNOBZJWSA-N 292.383 0.217 0 50 CCAA C[C@]1(C(=O)O)CCCN(C(=O)[C@@H](C(=O)O)C2CC2)C1 1875358422 VOTHEJASLIGLBB-ZANVPECISA-N 269.297 0.811 0 50 CCAA COc1cc(C(=O)N[C@]2(C(=O)OC)C[C@H](O)C2)ccc1C 952883792 QCDDWBHWEQIFRQ-WGRBQBNCSA-N 293.319 0.800 0 50 CCAA CCOc1cc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)on1 886996604 ZIYBTCJCVDGQPO-GHMZBOCLSA-N 296.323 0.733 0 50 CCAA Cn1cnc2ccc(C(=O)N[C@H](CO)[C@@H]3CCOC3)nc21 1417698990 BXVKABWGSVOEIG-BXKDBHETSA-N 290.323 0.096 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(N)=O)C2)[C@@H]1CN 247121018 MPKUHONBWMSGFC-GRYCIOLGSA-N 282.388 0.363 0 50 CCAA COc1c(C)cccc1C(=O)N[C@H]1CCOC[C@@H]1O 1565528625 MGVQLTJXZRJTGW-RYUDHWBXSA-N 265.309 0.883 0 50 CCAA Cc1cccc(Cl)c1S(=O)(=O)N[C@H]1CNC[C@@H]1O 1565508687 XWFNBJMZALXJHO-UWVGGRQHSA-N 290.772 0.259 0 50 CCAA O=C1CCCCCN1CCC(=O)N1C[C@H]2CCN[C@H]2C1 1565512558 AWXIZOMOJYSLIC-OLZOCXBDSA-N 279.384 0.599 0 50 CCAA CN(Cc1ncccn1)[C@@H]1CCN(c2ncccn2)C1 275781405 RURBBBUUSUJSFZ-GFCCVEGCSA-N 270.340 0.977 0 50 CCAA C[C@@H]1NC(=O)N(CCc2cccc(C(=O)N(C)C)c2)C1=O 170592654 QGAYJGPLQCCSBI-JTQLQIEISA-N 289.335 0.871 0 50 CCAA CCC1(CNC(=O)[C@@H]2CCS(=O)(=O)C2)CCOCC1 408079523 JZNYYFNWXSJOEB-LLVKDONJSA-N 289.397 0.744 0 50 CCAA CC[C@@H](O)CCNC(=O)Cn1cc(C2CC2)nn1 305085786 UBLLELKSCDBCBW-SNVBAGLBSA-N 252.318 0.433 0 50 CCAA CC(C)S(=O)(=O)CC(=O)N1C[C@H](C2CC2)O[C@H](C)C1 408275950 DDNYISVGOOTPMT-ZYHUDNBSSA-N 289.397 0.836 0 50 CCAA CC(C)=CCNC(=O)CN1CCCC[C@@H](O)C1=O 644448740 GLWWYSBUKVBPLB-LLVKDONJSA-N 254.330 0.442 0 50 CCAA CCSC[C@@H](C)NCCN(C)S(C)(=O)=O 67432606 YIQIOMZDJNOWQS-SECBINFHSA-N 254.421 0.609 0 50 CCAA CNC(=O)CC1CCN(C(=O)[C@H](C)N(C)C)CC1 674289486 MNAXPFIKPLCFPP-JTQLQIEISA-N 255.362 0.311 0 50 CCAA CN1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)[C@H](CO)C1 585128074 RGGURTBMTJMCQL-FQUUOJAGSA-N 266.385 0.948 0 50 CCAA O=C(O)c1ncn(C[C@H](O)c2ccc(F)cc2)n1 1602580995 KNZNEXFCGHNJAL-VIFPVBQESA-N 251.217 0.849 0 50 CCAA CCN(Cc1cn(C)c(C)n1)[C@H]1CCS(=O)(=O)C1 1857676093 JRNRYGZGXTVDLT-LBPRGKRZSA-N 271.386 0.738 0 50 CCAA CCc1cnc(C)nc1NC[C@@]1(O)CCCNC1 1772707727 XXDVFUMATJZTOD-CYBMUJFWSA-N 250.346 0.874 0 50 CCAA CNc1cc(C(=O)N2CCN(CCCCO)CC2)ccn1 19742763 FXMWHPHWEQPGMP-UHFFFAOYSA-N 292.383 0.654 0 50 CCAA COc1ccc(C)nc1N1CCO[C@@H](C(=O)N(C)C)C1 1857676419 SGWVMRQYXLVAOU-GFCCVEGCSA-N 279.340 0.692 0 50 CCAA COC(=O)CCCC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 249596385 PUZMCLTYEBZXGO-IJPSMNBWSA-N 267.325 0.557 0 50 CCAA Cc1ccc(C)c(CC(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1 1875243632 PVJPIMQCRDXNLD-RRCSTGOVSA-N 291.347 0.489 0 50 CCAA CN(C)C[C@@]1(O)CCCN(c2ncnc3n[nH]cc23)C1 631343648 GMTWBYTYHQUJFC-ZDUSSCGKSA-N 276.344 0.246 0 50 CCAA Cc1noc(COC2CN(C(=O)[C@@H]3CCC=CO3)C2)n1 818663985 ZFCKSFVHODGXHO-NSHDSACASA-N 279.296 0.798 0 50 CCAA CNC(=O)NCc1cn(CC[C@H]2CCCCO2)nn1 900552718 LDCHVMXGIBRNEA-LLVKDONJSA-N 267.333 0.666 0 50 CCAA Cn1nccc1-c1ccc(N2CCC[C@H]2C(=O)O)nn1 900939987 HIJATRCMHGGGAC-NSHDSACASA-N 273.296 0.931 0 50 CCAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cc(N)n[nH]3)CC2)C1 1704298177 GKXNRVJFYLBGJK-CYBMUJFWSA-N 294.355 0.528 0 50 CCAA Cc1cc(C)nc(-n2[nH]c(C(=O)N3C[C@@H]4C[C@H]4C3)cc2=O)n1 912983477 BEPWVHQJDIZKBY-QWRGUYRKSA-N 299.334 0.664 0 50 CCAA NC(=O)[C@@](O)(CN1CCOC2(CCC2)C1)c1ccccc1 851884644 TYSMPVBBPCYIOS-MRXNPFEDSA-N 290.363 0.614 0 50 CCAA CNS(=O)(=O)CCCN1CCO[C@@H]2CCC[C@H]21 230082237 BYFPWQXHRMXDCJ-GHMZBOCLSA-N 262.375 0.179 0 50 CCAA Cc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)o1 262463355 IRAYBFOTIMUERA-UHFFFAOYSA-N 253.254 0.640 0 50 CCAA COc1ccccc1S(=O)(=O)N1CCOC[C@H]1CO 168646829 PWSHTJSGYOZRAP-SNVBAGLBSA-N 287.337 0.077 0 50 CCAA CC(C)n1ccc(C(=O)NC2(C(=O)O)CCOCC2)n1 426488263 NRDJGOGVRIJXFY-UHFFFAOYSA-N 281.312 0.828 0 50 CCAA CC1(C)C[C@H](O)CCN(c2ccc(S(N)(=O)=O)cn2)C1 450860738 XRPOOVCQSIYUGE-SNVBAGLBSA-N 299.396 0.716 0 50 CCAA NC(=O)[C@@H]1CCC[C@H](NCc2cnn3c2CCC3)C1 657370255 DHFBAMHWAMOTEX-PWSUYJOCSA-N 262.357 0.963 0 50 CCAA CNc1cc(C(=O)N[C@H]2COC[C@@H]2OC)ccn1 534666209 FWPVRUBNGKVFRJ-UWVGGRQHSA-N 251.286 0.267 0 50 CCAA CCc1nocc1C(=O)NS(=O)(=O)Cc1ccccn1 860727871 JFIDYDJAWUYBPD-UHFFFAOYSA-N 295.320 0.892 0 50 CCAA O=C1CC2(CCC2)N(C(=O)[C@H]2C[C@@]23CCOC3)CCN1 874918109 JXAGOGSUXJOXEX-BXUZGUMPSA-N 278.352 0.684 0 50 CCAA COC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(=N)[nH]c1)CC2 2356144442 YABGNCAOSFZQMB-NSHDSACASA-N 289.335 0.909 0 50 CCAA Nc1nonc1-n1nnc(C(=O)O)c1-c1cccs1 2847150 RDMVHPPEYFESJT-UHFFFAOYSA-N 278.253 0.659 0 50 CCAA CS(=O)(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 4756883 LKWREZRFOHDVAA-SNVBAGLBSA-N 298.364 0.967 0 50 CCAA O=C([C@@H]1CCCNC1)N1CCO[C@@H]([C@H]2CCCO2)C1 246491500 DRNANSGWNHUUDM-JHJVBQTASA-N 268.357 0.392 0 50 CCAA NC(=O)CSc1nnc(-c2ccccc2)n1CCCO 10312544 OZFPWHIWZHHXTA-UHFFFAOYSA-N 292.364 0.905 0 50 CCAA O=C1C[C@H](C(=O)N[C@H](C(=O)O)c2ccccc2)CN1 134085540 XXYHSHNISIBXRA-ONGXEEELSA-N 262.265 0.065 0 50 CCAA O=C([C@H]1CC12CCNCC2)N1C[C@@H]2CC[C@H](C1)O2 227367766 DTHPOVOCERJLJK-GRYCIOLGSA-N 250.342 0.766 0 50 CCAA COCCOC1CCN(C(=O)c2cc[nH]n2)CC1 20599892 XDJFOQRLXRGYFS-UHFFFAOYSA-N 253.302 0.677 0 50 CCAA Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)n[nH]1 138130382 NZIHIHOQIQBCSV-UHFFFAOYSA-N 267.285 0.329 0 50 CCAA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2nnnn2C)c1 331617088 OEGAPKUGMUMARI-YPMHNXCESA-N 289.339 0.527 0 50 CCAA c1cn(CCNc2nccc(N[C@H]3CCCOC3)n2)cn1 328642173 QXMFEEGZJTWMGV-LBPRGKRZSA-N 288.355 1.376 0 50 CCAA OCc1cn([C@@H]2CCCN(CC[C@H]3CCCO3)C2)nn1 328795979 UKAXBDAAEHPZCU-ZIAGYGMSSA-N 280.372 0.976 0 50 CCAA COC(=O)C(C)(C)CNC(=O)Nc1ccnc(OC)n1 282587148 GOBSNHMOPZJFAT-UHFFFAOYSA-N 282.300 0.806 0 50 CCAA O=S(=O)([C@H]1CCOC1)N1CCC[C@@H](n2cncn2)C1 329252500 VNYWONCXADUOAK-MNOVXSKESA-N 286.357 0.034 0 50 CCAA Cc1nonc1CN1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C 521396526 PQEJJGLMYUNNRY-OPRDCNLKSA-N 252.318 0.818 0 50 CCAA COC[C@@H](C)CC(=O)Nc1ccc(-n2nnnc2O)cc1 356971757 DDDAETTUCWSYLL-VIFPVBQESA-N 291.311 0.979 0 50 CCAA CCOC(=O)C1(C(=O)N2CC(OC(F)F)C2)CC1 437607293 RSAZRHSHATWPFA-UHFFFAOYSA-N 263.240 0.780 0 50 CCAA C[C@@H](N)c1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1 127383846 RJIATGDSRLTEKF-SSDOTTSWSA-N 282.329 0.031 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCCc1nnc2ccccn12 362492357 LIGLKWSKVNPUHZ-NXEZZACHSA-N 288.307 0.499 0 50 CCAA Cc1ccc([C@H](C(=O)NCc2nc(=O)[nH][nH]2)N(C)C)cc1 215819371 MNXKOHBRWHJABI-GFCCVEGCSA-N 289.339 0.326 0 50 CCAA CCOC[C@H]1CCCN(C(=O)[C@@H]2CNCCO2)C1 236978356 JWZGANRZUDVWLV-RYUDHWBXSA-N 256.346 0.250 0 50 CCAA O=C(c1cccc2cc[nH]c12)N1CC[C@H](CO)[C@H](O)C1 72168495 NQRZJVRUOWUPCO-DGCLKSJQSA-N 274.320 0.983 0 50 CCAA C[C@H]1COCCN(C(=O)c2cccnc2C(N)=O)C1 368473685 JHPLAAMMEIWVKQ-SECBINFHSA-N 263.297 0.289 0 50 CCAA C[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)C[C@H]1C(N)=O 284569478 OWGMQXCKPWSCNI-ZYHUDNBSSA-N 299.334 0.461 0 50 CCAA O[C@@H](CN1CCOCC1)CN1CCCC2(CCOCC2)C1 371753536 ALDAMRAXTKJVMH-HNNXBMFYSA-N 298.427 0.572 0 50 CCAA Cc1csc(SCC(=O)NCCc2n[nH]c(N)n2)n1 218896129 ZREXGFTXIMUGRG-UHFFFAOYSA-N 298.397 0.603 0 50 CCAA N[C@@H]1CC[C@@H]1NC(=O)c1ccc(Cn2ccnc2)o1 72165096 CHEPMIJWLRESBL-MNOVXSKESA-N 260.297 0.744 0 50 CCAA CCc1nc(C)ccc1OCC(=O)N1CCOC[C@@H](O)C1 77470812 IGLATOIHOCEMFT-LBPRGKRZSA-N 294.351 0.551 0 50 CCAA COCc1cccc(CC(=O)N2CCOC[C@@H]2C(=O)O)c1 263119306 KJHKRWFQKKDOAV-CYBMUJFWSA-N 293.319 0.688 0 50 CCAA CCOC[C@H]1CN(C(=O)NCCc2cnccn2)CCO1 527851547 ZPXGDQRXVWVFQY-CYBMUJFWSA-N 294.355 0.466 0 50 CCAA Cc1cc(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)O)C2)n(C)n1 263363125 SLBDBJHSKCLGDO-ONGXEEELSA-N 294.355 0.981 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C2CC2)n[nH]1 220389397 PTMUMGTYVLWOQC-BXKDBHETSA-N 265.313 0.821 0 50 CCAA Cc1cc(CNC(=O)N(C)CC2(C)COC2)n[nH]1 426497329 WMMYHDCVBGABCJ-UHFFFAOYSA-N 252.318 0.896 0 50 CCAA CC(C)(NC(=O)c1cc(Cl)ccc1OCCN)C(N)=O 426737396 LIRLBKPUZAAZAM-UHFFFAOYSA-N 299.758 0.671 0 50 CCAA C[C@@]1(C(=O)N2CCC(O)(Cn3ccnc3)CC2)CCCO1 426359557 DNOLRGOQJVBVAC-AWEZNQCLSA-N 293.367 0.806 0 50 CCAA COc1ccc(CCN2C(=O)COCC2=O)cc1OC 196784422 DEZLYZLJLDNKBL-UHFFFAOYSA-N 279.292 0.632 0 50 CCAA CCc1nc(CNC(=O)N2CC[C@@H](N(C)C)C2)no1 426361220 QJUAKMLFRUMQDD-SECBINFHSA-N 267.333 0.478 0 50 CCAA COc1cccn(CC(=O)N2CCSCC2)c1=O 95528668 JONYMGQBNBDJDQ-UHFFFAOYSA-N 268.338 0.432 0 50 CCAA O=C(N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1)C1(CO)CC1 244734674 NJRFPKKWBSVIKO-AVGNSLFASA-N 282.384 0.014 0 50 CCAA Cc1csc(CN(C)CCCn2cnnn2)n1 244673563 HRRBASJNEPWNEI-UHFFFAOYSA-N 252.347 0.960 0 50 CCAA Cc1cnn(CCC(=O)N2CCOC[C@H]2CC(=O)O)c1 252497503 QJPJPESVNLSPFF-LLVKDONJSA-N 281.312 0.284 0 50 CCAA CC(=O)N1CCC(CNS(=O)(=O)N(C)C(C)C)CC1 355401838 WXURSNIASQZFGW-UHFFFAOYSA-N 291.417 0.420 0 50 CCAA COCC1(CNC(=O)C2(O)CCN(C)CC2)CCCC1 534674586 DTVMQRCRLHJEDV-UHFFFAOYSA-N 284.400 0.766 0 50 CCAA COCc1nc(CN2C[C@H]3CC[C@@H](C2)NC3)no1 534667791 LNLZEZHPHOAESH-UWVGGRQHSA-N 252.318 0.400 0 50 CCAA O=C(NCC1CCN(Cc2ncc[nH]2)CC1)[C@@H]1CCOC1 827778522 FMEONKAPBCCFKB-CYBMUJFWSA-N 292.383 0.774 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)NCC1(N(C)C)CCCC1 823412691 FHIBPJNHAWLIDA-GFCCVEGCSA-N 291.461 0.778 0 50 CCAA COc1cc2c(cc1CN1C[C@H](O)[C@@H](OC)C1)OCCO2 670472246 GWFCYZKBAGPHLO-NHYWBVRUSA-N 295.335 0.658 0 50 CCAA COc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)nn1 268942300 MDMFSMAVTLPYCH-VIFPVBQESA-N 265.269 0.565 0 50 CCAA Cn1ncnc1CCNC(=O)c1cccc(CC(=O)O)c1 1875270864 RAOTYWQSIPSLGN-UHFFFAOYSA-N 288.307 0.415 0 50 CCAA O=C(N=c1ccc(C2CC2)n[nH]1)NCCc1cn[nH]c1 1875271437 RELKMHJLSTYPCU-UHFFFAOYSA-N 272.312 0.863 0 50 CCAA Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1nc(O)n[nH]1 1875255882 KTRGQWUTQWNAJY-LURJTMIESA-N 278.316 0.345 0 50 CCAA O=C1N=[S@@](=O)(CC(O)(O)C(F)(F)F)c2ccccc21 1535642564 PUDHJIFLKGGAEA-LJQANCHMSA-N 295.238 0.911 0 50 CCAA CC(C)C[C@@H](C(N)=O)C(=O)N(C)CCN(C)C1CC1 408521074 HHCWZBDXCVLSEI-LBPRGKRZSA-N 269.389 0.687 0 50 CCAA COC(=O)C[C@@H](C)CN1CCN(C)[C@@H](c2nc(C)no2)C1 585117143 RZGMMTPLYYIKGL-ZYHUDNBSSA-N 296.371 0.866 0 50 CCAA O=C(NCCCN1Cc2ccccc2C1)[C@H]1COCCO1 170613177 MOUOCKUMPUFHAR-OAHLLOKOSA-N 290.363 0.924 0 50 CCAA O=C(O)c1cnc[nH]c1=NCC1(O)Cc2ccccc2C1 566290709 BXJJKETXSOEIMQ-UHFFFAOYSA-N 285.303 0.539 0 50 CCAA Cc1cnc(N)nc1N1CCC[C@H](CS(C)(=O)=O)C1 92099106 WGOTZDZVWUYTBT-JTQLQIEISA-N 284.385 0.628 0 50 CCAA CCn1cncc1CN1CCN2C(=O)OC[C@@H]2C1 1506423641 JKXOLWCOOZCAAF-NSHDSACASA-N 250.302 0.539 0 50 CCAA Cc1nc(C)c(C(=O)N[C@H]2CCNC[C@@H]2O)s1 212564298 DVTJRCMAVBADCC-IUCAKERBSA-N 255.343 0.213 0 50 CCAA Cc1cc(=O)cc(O)n1CC(=O)Nc1ccccn1 1547206014 BGWJSHVKBCAMJG-UHFFFAOYSA-N 259.265 0.896 0 50 CCAA CN1C[C@@]2(CCCN(c3n[nH]c(=N)s3)C2)OC1=O 1857682889 UZZWTNRROPVQGZ-SNVBAGLBSA-N 269.330 0.372 0 50 CCAA OCC1(CO)[C@H]2CN(C[C@@H]3CCCN4CCCC[C@H]34)C[C@@H]21 1772704841 UCXFNKUGVZKLGS-YHUYYLMFSA-N 294.439 0.784 0 50 CCAA O=C(Cc1c(O)c2ccccc2[nH]c1=O)N1CCOCC1 5626471 ZCLCGSLDFHNBNQ-UHFFFAOYSA-N 288.303 0.635 0 50 CCAA CN(C)c1ncc2c(n1)CCC[C@H]2NS(C)(=O)=O 12718785 QRZNZXNWFICWLW-SNVBAGLBSA-N 270.358 0.469 0 50 CCAA COc1ccc(C(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)c(C)c1 1857684596 ULZNBMMWPNHPBV-GXFFZTMASA-N 274.320 0.964 0 50 CCAA O=C(/C=C/c1ccccc1)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875248094 YYTMNANKZYRFIA-ANPMPUSYSA-N 275.304 0.343 0 50 CCAA C[C@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)CCCO1 648270390 LDYMZFTWXGNQCJ-JTQLQIEISA-N 278.356 0.872 0 50 CCAA Cc1ccccc1OCCCN(C)C(=O)[C@H]1C[C@@H](O)CN1 253393025 VGFKVHIWNAONCJ-ZIAGYGMSSA-N 292.379 0.945 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1 263341938 XUYARSXPVFWRHQ-SNVBAGLBSA-N 289.353 0.419 0 50 CCAA CCn1cc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)nn1 935060139 HICRCOILWVETTG-LLVKDONJSA-N 286.339 0.702 0 50 CCAA COc1ccc(NS(=O)(=O)c2cn[nH]c2)c(C(=O)O)c1 148545381 JQNXPTKOYIPHAT-UHFFFAOYSA-N 297.292 0.917 0 50 CCAA Cn1cc(CC(=O)N(C[C@H]2CCCN2)C2CC2)cn1 190744115 FIPQENPWXSMASG-GFCCVEGCSA-N 262.357 0.706 0 50 CCAA O=C(C[C@H]1CNCCO1)NCc1ccc2nsnc2c1 534590076 ZKOAEVMJOKWYIY-JTQLQIEISA-N 292.364 0.686 0 50 CCAA O=C(c1ccccc1)N1CCN(Cc2nc[nH]n2)CC1 652904767 AFMFLBNVEPSFOJ-UHFFFAOYSA-N 271.324 0.763 0 50 CCAA Cn1ncc(NC(=O)c2cn(C3COC3)nn2)c1C1CC1 2325769889 LAZSKLKBHUTBLS-UHFFFAOYSA-N 288.311 0.713 0 50 CCAA CS(=O)(=O)Nc1ccccc1OS(C)(=O)=O 1871931 YJVJRNOJGQDOPT-UHFFFAOYSA-N 265.312 0.397 0 50 CCAA O=S1(=O)C[C@@H](O)[C@@H](Nc2ccccc2Cl)C1 3320226 NAQFNWLMABSPOE-VHSXEESVSA-N 261.730 0.910 0 50 CCAA COc1nc(C(=O)NCc2cnn(C(C)C)c2)nn1C 2356167446 PAVNJVBGRZLNEM-UHFFFAOYSA-N 278.316 0.531 0 50 CCAA CCS(=O)(=O)N(CC(=O)O)c1ccc(OC)cc1 4632571 DRQMBSAMGVNBOT-UHFFFAOYSA-N 273.310 0.936 0 50 CCAA CCN(C(=O)CCN1CCCCO1)[C@H]1COC[C@@H]1O 55099650 VMMFPNJUEWQSKR-RYUDHWBXSA-N 272.345 0.012 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1ccc(F)cn1 228566117 ATSPXTXXIBWYSW-SECBINFHSA-N 254.217 0.146 0 50 CCAA CN1CCC2(CCCN(C(=O)c3n[nH]c(N)n3)CC2)CC1 67772967 PXYWVPIBIINMFY-UHFFFAOYSA-N 292.387 0.725 0 50 CCAA CCCCCC(=O)NC[C@H]1CN(C(C)=O)CCO1 67975703 CDDNQXOLKCJJOS-LBPRGKRZSA-N 256.346 0.930 0 50 CCAA C[C@@H](O)C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 252483112 DVHDYMGHORYNOG-MXWKQRLJSA-N 284.356 0.693 0 50 CCAA CC(C)n1cnc(S(=O)(=O)NC[C@@H](C)C(=O)O)c1 519798980 WZPWRMUKNYPUHM-MRVPVSSYSA-N 275.330 0.463 0 50 CCAA CC1=NN(C(=O)c2ccn(C)n2)[C@](O)(C(F)(F)F)C1 374570 LNZXMALKDSSBHV-SECBINFHSA-N 276.218 0.893 0 50 CCAA CCc1nnc(CN(C)C[C@@H]2C[C@H](OC)CN2C)o1 330544010 JMPDKZIJMLZEML-QWRGUYRKSA-N 268.361 0.783 0 50 CCAA Cc1cc(CC(=O)N[C@H]2CCC(=O)N[C@H]2C)n[nH]1 282114696 HDJIQCUFQULQJZ-WPRPVWTQSA-N 250.302 0.044 0 50 CCAA CN(CC(N)=O)C[C@H]1CN(c2ccc(Cl)cn2)CCO1 282293922 QTYGRNKPLRIDFZ-NSHDSACASA-N 298.774 0.357 0 50 CCAA O=C(NCCNC[C@@]1(O)CCNC1)c1ccccc1Cl 77454415 BHQLQEKIVUCZIQ-CQSZACIVSA-N 297.786 0.384 0 50 CCAA CCN1C[C@H](C(=O)NCCc2nc(C)cs2)CC1=O 78473703 UUQOQUQWAPBJAR-SNVBAGLBSA-N 281.381 0.979 0 50 CCAA O=C(NC1(C(=O)O)CCOCC1)c1cc(C2CC2)on1 131744597 WMISAVORJLXLFA-UHFFFAOYSA-N 280.280 0.916 0 50 CCAA O=C(c1cc[nH]c1C1CC1)N1CCO[C@H](c2nn[nH]n2)C1 367354891 VJAOZZMNEYYUJB-JTQLQIEISA-N 288.311 0.619 0 50 CCAA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC[C@@H]2CCC[C@@H]21 77354510 OCUZYQBIFYFZRX-NHCYSSNCSA-N 291.351 0.609 0 50 CCAA O=C1CC[C@@H](C(=O)Nc2cnn(C[C@H]3CCCO3)c2)N1 128291089 BSBQBQCTTCREGT-MNOVXSKESA-N 278.312 0.279 0 50 CCAA CCn1cnnc1CN(C)C(=O)COC[C@@H]1CCCCO1 218937488 NKVVUHDEPZWJGH-LBPRGKRZSA-N 296.371 0.842 0 50 CCAA O=C(O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 37418090 WHPPIDUQUUAHQJ-UHFFFAOYSA-N 285.321 0.547 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)/C=C/CN(C)C)[C@@]12CCCO2 371892923 BQVWVUFFUXJOPQ-KMFKKZHKSA-N 282.384 0.947 0 50 CCAA COc1cc(C)ccc1N1C(=O)[C@@H]2C[C@@H](O)CN2C1=O 375924045 DEAHHUIFXHIQFB-KOLCDFICSA-N 276.292 0.905 0 50 CCAA C[C@@H]1CN(Cc2cn3cccnc3n2)C[C@H]1C(N)=O 286304420 UUJNXXAFHGEDRN-MWLCHTKSSA-N 259.313 0.283 0 50 CCAA COc1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)ccc1C 284641837 RHZHFELNXYHPTB-RYUDHWBXSA-N 292.335 0.718 0 50 CCAA CN(CCc1ccccn1)C(=O)CC[C@@H]1NC(=O)NC1=O 42034170 RXWXNPGRCJKCIT-NSHDSACASA-N 290.323 0.071 0 50 CCAA C[C@@H]1CN(C)C[C@H](c2nc(Cn3cccn3)no2)O1 527543270 KQRWXSUVHBVEEN-NXEZZACHSA-N 263.301 0.706 0 50 CCAA COC(=O)N1CCCC[C@@H]1C(=O)NCCc1cn[nH]c1 221363262 MDEIBVMBXNQFQF-LLVKDONJSA-N 280.328 0.689 0 50 CCAA CN(C)C(=O)NCc1cc2n(n1)CCN(CC(C)(C)N)C2 82170701 QJOLHXICYPGSBR-UHFFFAOYSA-N 294.403 0.207 0 50 CCAA CC(C)Cn1cncc1CNC(=O)CN(C)CCO 426652110 VATNLSYXVVYMMH-UHFFFAOYSA-N 268.361 0.079 0 50 CCAA C[C@H](Nc1nnc(C2CCC2)o1)c1n[nH]c(=O)[nH]1 95359931 JGCNRQHWBHGKBR-YFKPBYRVSA-N 250.262 0.922 0 50 CCAA CCc1ncc(C(=O)N2C[C@@H]3CCCN[C@@H]3C2)cn1 95380060 RGGBPKRCRVXUNM-CMPLNLGQSA-N 260.341 0.863 0 50 CCAA Cc1ccsc1CCNC(=O)N1CCNC(=O)C1 335121397 WFLZRDFPVRNSSD-UHFFFAOYSA-N 267.354 0.740 0 50 CCAA Cc1nn(C)c(C)c1CN(C)C(=O)CN1CCOC1=O 95501239 PHZVDZGNWJIQBB-UHFFFAOYSA-N 280.328 0.448 0 50 CCAA CCc1nc(CCNC(=O)[C@@H](N)Cc2ccccc2)no1 243893761 ATYXXPBNOLWAHW-LBPRGKRZSA-N 288.351 0.861 0 50 CCAA CCC[C@H](NC(=O)CCn1cnnn1)c1nccn1C 534663983 NNKKFHMNTPOGKO-JTQLQIEISA-N 277.332 0.454 0 50 CCAA CCN1CCN(CC(=O)NC[C@@H](C)n2cc(C)cn2)CC1 534632088 WUEGSUNFRWIBLJ-CQSZACIVSA-N 293.415 0.506 0 50 CCAA O=C([C@@H]1CNCCO1)N1CCCN(C2CCCCC2)CC1 534637670 SXEDWZONHWBSHJ-HNNXBMFYSA-N 295.427 0.842 0 50 CCAA Cc1cc(C(=O)NCc2nc(N)n[nH]2)sc1C 534650435 NAIWSJBKXFQVJS-UHFFFAOYSA-N 251.315 0.995 0 50 CCAA COCCOCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1 534646436 RQODASJTUASSKR-STQMWFEESA-N 286.372 0.019 0 50 CCAA COC(=O)c1cc(O)cc(C(=O)N2CCCNCC2)c1 534671648 AOVIXVXQAIBRRY-UHFFFAOYSA-N 278.308 0.614 0 50 CCAA Cc1cc(O)cc(C(=O)NC[C@@H]2CCCN(CCO)C2)n1 299797010 RQAIWSFNCLJISR-LBPRGKRZSA-N 293.367 0.530 0 50 CCAA Cc1ncn(CCNS(=O)(=O)N2CCCC2)c1C 825262053 DTXKGVLEMOFWNH-UHFFFAOYSA-N 272.374 0.430 0 50 CCAA O=C(O)/C=C/C(=O)Nc1cnn(C2CCOCC2)c1 575442352 BQCUEXGXEDBBRJ-OWOJBTEDSA-N 265.269 0.814 0 50 CCAA Cc1nc(CC(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)cs1 825273173 DKEZTUYCLLJQMA-GHMZBOCLSA-N 279.365 0.930 0 50 CCAA CCNC(=O)CS(=O)(=O)c1ccc(C(=O)OC)cc1 864037030 NFADHLOGFINXEI-UHFFFAOYSA-N 285.321 0.383 0 50 CCAA Cc1ccoc1C(=O)NC[C@H]1CN(C)C(=O)CO1 670469528 HQMZOBGGFJSUPW-VIFPVBQESA-N 252.270 0.175 0 50 CCAA O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)C1(F)CC1 685942445 QHCWQMLAFYMRSY-DTWKUNHWSA-N 255.249 0.174 0 50 CCAA C[C@](O)(C(=O)N[C@@H]1CC[S@@](=O)C1)c1cccc(F)c1 1875261933 OLZDYQRDEJKSIL-MJCKAROISA-N 285.340 0.670 0 50 CCAA CC/C=C1/CCN(C(=O)[C@@H]2CN3CCN2C[C@H]3C)C1 1875297261 INUQWJYSKUEATA-MSUNXFKOSA-N 263.385 0.943 0 50 CCAA CCn1ncc(S(=O)(=O)NC[C@@H](O)c2ccccc2)n1 1875289925 YNCAYKSGDRFACP-LLVKDONJSA-N 296.352 0.310 0 50 CCAA COC(=O)[C@]1(NC(=O)[C@@H](N)CC(C)C)CCCSC1 1875383323 OYBRARRGRXRIPT-GWCFXTLKSA-N 288.413 0.915 0 50 CCAA CC[C@H](C(=O)NCC(=O)N1CCCC1)N(C)CC 952967050 YSQCJPIFWJZJIZ-LLVKDONJSA-N 255.362 0.455 0 50 CCAA COc1cc(O)ncc1C(=O)N[C@@]12CCC[C@@H]1NCC2 1775600311 MXVMMWYTMOTGCQ-SMDDNHRTSA-N 277.324 0.810 0 50 CCAA O=C(NCCN1CCNC1=O)[C@@H]1CCc2ccccc2O1 894572965 PQLMWLGZTLPYMS-ZDUSSCGKSA-N 289.335 0.522 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)CCCc1cn[nH]c1 1565514177 GXLSTYKIHLQBHT-RYUDHWBXSA-N 267.329 0.653 0 50 CCAA O=C(Nc1ccccc1)C(=O)N[C@H]1C[C@H]2OCC[C@@H]12 1565529276 MRHLWAJZFQDIOF-SDDRHHMPSA-N 260.293 0.919 0 50 CCAA CC(C)(C(=O)N1CCS(=O)(=O)CC1)c1cccnc1 408082278 WOXXRFYIDARUBE-UHFFFAOYSA-N 282.365 0.616 0 50 CCAA Cc1ccc(CN2CCN(C(=O)[C@H](C)O)CC2)c(C)n1 187380699 NAGMLFNWMLIXIH-ZDUSSCGKSA-N 277.368 0.723 0 50 CCAA Cc1ccc(CN(C)C(=O)CN2CCOCC2)nc1 682815679 GQMGOSVMIDDKQR-UHFFFAOYSA-N 263.341 0.681 0 50 CCAA Cn1ccnc1C(=O)NCc1ncc(Cl)n1C 741262560 WWTFNUWRTKQTQW-UHFFFAOYSA-N 253.693 0.737 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)NCCc1ccnn1C 190259183 CGHZDBXKIDDQCB-CMPLNLGQSA-N 251.330 0.894 0 50 CCAA COCCS(=O)(=O)N1C[C@H](OC)C[C@H]1c1ncc[nH]1 643718823 IOECGZOWWNJBHG-ZJUUUORDSA-N 289.357 0.148 0 50 CCAA CN(C)c1noc(CN[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)n1 643960840 GMQQRSASCBYCOZ-UTUOFQBUSA-N 295.387 0.213 0 50 CCAA O=C(NC[C@H]1CCO[C@H]1C(=O)O)c1ccncc1Cl 715136109 HZZKVHWFYCLSCR-GMSGAONNSA-N 284.699 0.955 0 50 CCAA COCC(COC)NC(=O)N1C[C@H](C)[C@](C)(CO)C1 665035367 ODPJLFSSCGTVFI-GWCFXTLKSA-N 274.361 0.308 0 50 CCAA CN(C)C1(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)CC1 667199967 ZYHOZVGMTFXGTA-LLVKDONJSA-N 280.372 0.097 0 50 CCAA C[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)CCCO1 668029092 OSXAANJTIDXQLO-SECBINFHSA-N 275.308 0.827 0 50 CCAA CN1CCN(C(=O)c2cn[nH]n2)[C@@H](c2ccccc2)C1 96152886 OANKQXAPMVYIID-CYBMUJFWSA-N 271.324 0.934 0 50 CCAA Nc1n[nH]c(CCNC(=O)c2nc3c(s2)CCCC3)n1 1506422478 RFOMZPYWDZIFAI-UHFFFAOYSA-N 292.368 0.695 0 50 CCAA NC(=O)c1ncc(NC(=O)C[C@H]2CCCO2)s1 906147310 NDURTVKDQZFZDP-ZCFIWIBFSA-N 255.299 0.750 0 50 CCAA Cn1cccc1CN1CCC[C@@](O)(CC(N)=O)C1 643745915 ZLEUWONNZOLIJB-CYBMUJFWSA-N 251.330 0.227 0 50 CCAA CCc1nn(C)c(CC)c1S(=O)(=O)NCCC(=O)O 677643806 SDJXTYDZGCPGSE-UHFFFAOYSA-N 289.357 0.298 0 50 CCAA CCOC(=O)N1CCC(N2CC[C@@H]3CNC[C@@H]32)CC1 1615746743 DZPYSPVKFVLUQX-YPMHNXCESA-N 267.373 0.901 0 50 CCAA C[C@H](OCC(=O)N1CCCN(C)CC1)c1nccn1C 377045154 SCCLHBXJTBZYLZ-LBPRGKRZSA-N 280.372 0.662 0 50 CCAA C[C@H](Cc1cn(C)nn1)NC(=O)c1ccc(O)cn1 1637208575 KCMRALXGMHYDSA-MRVPVSSYSA-N 261.285 0.277 0 50 CCAA Cc1nsnc1C(=O)N1C[C@H]2CNC[C@@]2(CN(C)C)C1 1772712051 ZSEFJPABBXCKAG-ZWNOBZJWSA-N 295.412 0.070 0 50 CCAA COc1ccc(C(=O)N2CCOC[C@@H]2c2ncon2)cn1 329461058 SKMBCEURHIUWIF-SNVBAGLBSA-N 290.279 0.687 0 50 CCAA Cn1cc(N2C(=O)NC3(CCCCCC3)C2=O)nn1 900235326 RFMGHKVVXONTFZ-UHFFFAOYSA-N 263.301 0.964 0 50 CCAA O=C(N[C@@H]1CCN(c2ccccn2)C1)C1CCNCC1 238134678 PYAHYZGZJRPKTL-CYBMUJFWSA-N 274.368 0.776 0 50 CCAA COc1ccnc(CN2CC[C@](C)(O)[C@H](O)C2)c1 247873529 FWNKXOJDZQIPNB-OLZOCXBDSA-N 252.314 0.408 0 50 CCAA NS(=O)(=O)C[C@@H]1CCCN1C(=O)C1[C@@H]2CCCC[C@@H]12 408271383 WVZGRJWQRABVGN-HBNTYKKESA-N 286.397 0.702 0 50 CCAA c1cc2nccnc2c(NCCN2CCOCC2)n1 621243583 GJJOZVCGEGEIPF-UHFFFAOYSA-N 259.313 0.769 0 50 CCAA Cn1nccc1NC(=O)[C@@H](CN)C1CCOCC1 864728338 LKHXMPLMFFMDPJ-JTQLQIEISA-N 252.318 0.360 0 50 CCAA O=C([C@H]1C[C@H](F)CN1)N1CCC(c2ncc[nH]2)CC1 275547860 RVVRHCZAQRNJDW-WDEREUQCSA-N 266.320 0.816 0 50 CCAA Cn1cc(CN(C(=O)Cc2cncnc2)C2CC2)cn1 2325781034 DWHRUAWKRQAFHM-UHFFFAOYSA-N 271.324 0.944 0 50 CCAA Cc1c(C(N)=O)cccc1C(=O)N(C)[C@H](C)C(=O)O 2325829878 VCWDZVALXLGRFV-MRVPVSSYSA-N 264.281 0.639 0 50 CCAA O=C(c1ccc(-c2nn[nH]n2)o1)N1C[C@H]2C[C@H]1CC[C@H]2O 2325866060 ZJZGJGSZZLEUSK-IWSPIJDZSA-N 289.295 0.445 0 50 CCAA CC(C)N1CCC[C@@]2(CCCN2CC(N)=O)C1=O 2356161299 ORWWAJJHFPZUCM-ZDUSSCGKSA-N 253.346 0.337 0 50 CCAA CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@H]2O)O1 4543837 KEJGAYKWRDILTF-CIQUZCHMSA-N 260.286 0.375 0 50 CCAA CC(C)N(C#N)c1nc(N(C)C)nc(N2CCOCC2)n1 6703451 FXQXFGNVCHTPRV-UHFFFAOYSA-N 291.359 0.470 0 50 CCAA CCN(CC)C(=O)CCN1C(=O)CN(CCOC)C1=O 225555419 CSHGMMCKATWIOZ-UHFFFAOYSA-N 285.344 0.156 0 50 CCAA CCOCCc1nnc(NC(=O)CNC(=O)CC)s1 59761376 PUXJZOIGQCIUIJ-UHFFFAOYSA-N 286.357 0.582 0 50 CCAA COC(=O)N1CCC[C@@H](C(=O)N2CC(=O)N(C)[C@@H](C)C2)C1 225742151 YJDGWNDFNUYZPK-WDEREUQCSA-N 297.355 0.154 0 50 CCAA CNC(=O)CN1CCc2cc(OC)c(OC)cc2CC1 138733559 SZOQYQYUEMLGEH-UHFFFAOYSA-N 278.352 0.850 0 50 CCAA CCn1c(=O)c(C(=O)NCCO)c(O)c2ccccc21 100270301 HEMHHLWEQFKWTB-UHFFFAOYSA-N 276.292 0.449 0 50 CCAA Cc1ccc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)cc1 100583449 CLFCGIPJOJEPFL-CQSZACIVSA-N 287.363 0.874 0 50 CCAA COC(=O)c1cc2n(n1)CCN(c1ncccn1)C2 65372396 KDXZUTKETMOELX-UHFFFAOYSA-N 259.269 0.480 0 50 CCAA CN1CCN(c2cnn(C[C@H]3CCCO3)c(=O)c2)CC1 23505431 SRZDLRAKAQGKPB-CYBMUJFWSA-N 278.356 0.174 0 50 CCAA Cc1ccc(C(N)=O)c(N2Cc3cnn(CCO)c3C2)n1 67739610 GPSMRMZGICZFTK-UHFFFAOYSA-N 287.323 0.198 0 50 CCAA CCCOCC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 330556930 FYXQJKQXMRRVQK-UPJWGTAASA-N 271.357 0.801 0 50 CCAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(N)=O 141680943 XTVIQYHOLZIKDM-LSPGSYRFSA-N 267.325 0.735 0 50 CCAA CC(C)Oc1cccnc1C(=O)NC[C@@H]1CNCCO1 423993679 QVFXVWZIQBAVET-NSHDSACASA-N 279.340 0.587 0 50 CCAA Cc1cc(=O)c(CO)nn1CC(=O)N(C(C)C)C(C)C 331165634 HTGIOVISJMJVES-UHFFFAOYSA-N 281.356 0.689 0 50 CCAA C[C@@H](C1CC1)n1nccc1NC(=O)[C@@H]1CNCCO1 150718853 YEWASZMPEDSQRB-ONGXEEELSA-N 264.329 0.781 0 50 CCAA CN1CCN(C(=O)C2=COCCC2)C[C@H]1c1ncc[nH]1 328626305 LNQGQVBABNWEFL-LBPRGKRZSA-N 276.340 0.919 0 50 CCAA CNCC(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1 71776431 REFRHNDXJRFXBC-UHFFFAOYSA-N 290.279 0.301 0 50 CCAA CNC(=O)c1ccc(N2CCC[C@@H](OC)CC2)nn1 363668956 BLFKUBQTDVPWLM-SNVBAGLBSA-N 264.329 0.842 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1cnn2c1CCCC2 263277280 JBAZXIXBUUYIQE-JTQLQIEISA-N 293.323 0.535 0 50 CCAA CO[C@]1(C)C[C@H](NC(=O)[C@@H]2CNCCO2)C1(C)C 237271373 XSEINEUWZIVTDN-OUJBWJOFSA-N 256.346 0.295 0 50 CCAA CNCC(=O)N[C@@H]1CC(=O)N(c2ccccc2OC)C1 71681373 MDLYLXXBYONUHY-SNVBAGLBSA-N 277.324 0.136 0 50 CCAA Cn1ccnc1[C@@H]1CCN(c2ccc(C(N)=O)cn2)C1 374349668 IHBMKUAPFYSYHK-LLVKDONJSA-N 271.324 0.908 0 50 CCAA C[C@H]1CN(C(=O)[C@@H](C)N)CCN1CC(F)(F)F 158105648 UPVKOGMJZDBYMG-JGVFFNPUSA-N 253.268 0.429 0 50 CCAA CC(C)c1cc(C(=O)NC[C@@]2(O)CCCNCC2)n(C)n1 72163958 KKFFHIHIMSWWLW-OAHLLOKOSA-N 294.399 0.778 0 50 CCAA COc1nccc(CN2c3ccccc3C[C@H]2C(N)=O)n1 450525269 AYTVXWNQVLESIN-ZDUSSCGKSA-N 284.319 0.902 0 50 CCAA O=C(COC[C@@H]1CCCO1)NCCc1nc(C2CC2)no1 219457562 RCRRUTPEPWMPHG-NSHDSACASA-N 295.339 0.801 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)NCc1ccc(C(=O)O)o1 285175403 QBMWUDNJQAEENR-UHFFFAOYSA-N 299.308 0.498 0 50 CCAA CC(C)C(=O)NCCNc1cc(C2CC(N)C2)ncn1 223401639 NGMNEWWOZJXRRA-UHFFFAOYSA-N 277.372 0.865 0 50 CCAA Cc1cnc(CNC(=O)[C@H](C)N2CCN(C)CC2)cn1 426487985 KIZDIPDFMTZOGM-LBPRGKRZSA-N 277.372 0.037 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@H](c2ncnn2C)C2CC2)n1 223214440 DDRMFQKRWGUVCX-LBPRGKRZSA-N 289.343 0.170 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)Cc1c(O)n[nH]c1C 426623363 UPYUXNJWORILDG-SECBINFHSA-N 292.343 0.845 0 50 CCAA C[C@@H](C(=O)N1CC(c2ccccn2)C1)N1CCN(C)CC1 426387787 BUIIIKMJSNBFHL-ZDUSSCGKSA-N 288.395 0.643 0 50 CCAA Cn1ccc(CNC(=O)NC[C@H]2CC[C@@H](CO)O2)c1 292500492 CIWXSSJPIZWHGJ-NEPJUHHUSA-N 267.329 0.364 0 50 CCAA CC(C)N1C[C@@H](C(=O)N(C[C@@H](C)C(=O)O)C2CC2)CC1=O 236833062 ZRYFIFXDARKCOY-MNOVXSKESA-N 296.367 0.955 0 50 CCAA O=C(O)[C@@H]1CN(C(CO)CO)C[C@H]1c1ccc(F)cc1 91505062 JRFOWGQRXPLLHB-QWHCGFSZSA-N 283.299 0.279 0 50 CCAA COCc1nc(CNC(=O)[C@H]2CCCCCN2C)no1 95378244 RKMRIKBQDCOBHK-SNVBAGLBSA-N 282.344 0.707 0 50 CCAA Cc1nc(C)c(S(=O)(=O)N2CCCNCC2)s1 237609763 YBLOQHZVZAYRKP-UHFFFAOYSA-N 275.399 0.744 0 50 CCAA CCN1C[C@H](C(=O)NCCn2cccc2)CCC1=O 92062150 VHNBMIHNPCBJFW-GFCCVEGCSA-N 263.341 0.863 0 50 CCAA CCNc1ncc(CN2CCN(CC(=O)O)CC2)cn1 244773690 PERGZONRTOMQJW-UHFFFAOYSA-N 279.344 0.111 0 50 CCAA Cc1cc(C)c(CNC(=O)C[C@@H]2CN(C)CCN2C)cn1 244882782 XYZDETDYAYCFGI-OAHLLOKOSA-N 290.411 0.951 0 50 CCAA CC1(C)[C@H](NC(=O)C2(C(=O)O)CC2)[C@H]2CCO[C@H]21 299742080 GTEGKMWKKRFJRQ-IWSPIJDZSA-N 253.298 0.781 0 50 CCAA COCCn1cncc1CNC(=O)c1ccc(N)nc1 584885604 VSMKWDQAAUQLJH-UHFFFAOYSA-N 275.312 0.437 0 50 CCAA Cc1nc(CCN(C)C(=O)CN2CC[C@@H](N(C)C)C2)no1 584901712 DLFYMCZYZUIUCH-GFCCVEGCSA-N 295.387 0.015 0 50 CCAA CSCC(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O 670445119 BBINSGXMOTYOBM-JTQLQIEISA-N 294.442 0.670 0 50 CCAA Cc1nn(Cc2nnn(C)n2)c(C)c1[C@H]1COCCN1C 952893869 LFDQQZDRNBGGJC-LLVKDONJSA-N 291.359 0.075 0 50 CCAA COC(=O)N1CC(C)(NC(=O)N=c2cc[nH]cc2)C1 952876005 XSOYOFUGNUAGCW-UHFFFAOYSA-N 264.285 0.466 0 50 CCAA CCn1cnc2c(N3CCN(C(N)=O)CC3)ncnc21 1166574300 SCGPCOZMQHVZSQ-UHFFFAOYSA-N 275.316 0.047 0 50 CCAA O=C1CCCCCN1CCC(=O)N1C[C@@H](O)[C@H](F)C1 952983394 DFDZAEUAYPHGOX-GHMZBOCLSA-N 272.320 0.320 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N(C)Cc2ncc[nH]2)C1=O 886075536 NREDCGJPWYZRGO-LLVKDONJSA-N 294.355 0.396 0 50 CCAA Cc1noc(C[C@@]2(O)CCCN(c3ncc(F)cn3)C2)n1 886079105 IWULGVWJMLORMH-ZDUSSCGKSA-N 293.302 0.881 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC(c2ncccn2)CC1 1522202651 OQMGCHLKUIXPJL-UHFFFAOYSA-N 288.351 0.875 0 50 CCAA CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 51971686 JHBUFXKTKCCCKA-IUCAKERBSA-N 259.302 0.777 0 50 CCAA in-vitro Cc1cnn(C[C@@H]2CN(C[C@@H](O)C(F)(F)F)CCO2)c1 248549717 FZTAAIZCGYBDNQ-WDEREUQCSA-N 293.289 0.816 0 50 CCAA C[C@H](O)Cn1cc(CNC(=O)c2ccccc2)nn1 899705910 KPKPZWUVJCPULE-JTQLQIEISA-N 260.297 0.589 0 50 CCAA CC(C)CN(CC(=O)O)S(=O)(=O)C[C@H]1CCOC1 547902928 FUYZACBCIIOQPZ-JTQLQIEISA-N 279.358 0.395 0 50 CCAA O=C(CSCc1ccccn1)NCc1c[nH]nn1 170016876 QHUDRMBGEDPSKY-UHFFFAOYSA-N 263.326 0.749 0 50 CCAA Cc1ncsc1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C 515352357 AWCOZODSRJHXGO-DTWKUNHWSA-N 267.354 0.792 0 50 CCAA O=C1CC[C@H](NC(=O)c2cnccn2)[C@@H]([C@@H]2CCCO2)N1 579656313 HJLPMEXEQUOZKH-GAFUQQFSSA-N 290.323 0.033 0 50 CCAA O=C(NC1CC1)[C@H]1CCCN1C(=O)N[C@H]1CC[C@H](O)CC1 677228965 AJMXKJWBLAQTBB-JHJVBQTASA-N 295.383 0.743 0 50 CCAA Cc1ccncc1CN1CC[C@H](n2cc(C(N)=O)nn2)C1 643790186 UFXFCGDUJGDPRP-LBPRGKRZSA-N 286.339 0.527 0 50 CCAA CCCN(CC(=O)O)C(=O)c1cnc2n1CCOC2 659764746 DQGBDAUAARFDBV-UHFFFAOYSA-N 267.285 0.350 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cncn3C)C[C@@H]2O)n[nH]1 1529118453 LFYVLVCINWEBMS-MFKMUULPSA-N 289.339 0.127 0 50 CCAA O=S(=O)(N[C@H]1CCNC[C@@H]1O)c1cccc(Cl)c1 710382967 PHIKUKFLZAQGLZ-QWRGUYRKSA-N 290.772 0.341 0 50 CCAA C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cncc(F)c1 408027993 NLSNKSIBHJSIDQ-OIBJUYFYSA-N 260.290 0.676 0 50 CCAA CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)O 12954670 GVTOUAJILWSKTN-SSDOTTSWSA-N 258.274 0.197 0 50 CCAA in-vitro O=C(Cn1cccn1)NC[C@]12CNC[C@@]1(C(F)(F)F)C2 1615546962 QPZWPQAFNIVNAV-QWRGUYRKSA-N 288.273 0.541 0 50 CCAA COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccnc1 13125287 RVDMSDFVRKXALC-SNVBAGLBSA-N 272.268 0.530 0 50 CCAA C[C@H]1NC(=O)[C@H]2CN(Cc3cccc(F)c3)CCN2C1=O 14731293 OKTSZIYHHLFLTH-ZWNOBZJWSA-N 291.326 0.357 0 50 CCAA CNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 16648302 VLXTYBRJJVYYGS-UHFFFAOYSA-N 286.353 0.370 0 50 CCAA O=C(NCCCN1CCOCC1)c1ccc2c(c1)OCO2 19722045 IKKFNCUTUSUAOD-UHFFFAOYSA-N 292.335 0.867 0 50 CCAA CN1CCN(C[C@@H](O)COc2ccccc2)CC1 19805901 STFMPAUQEZXGJC-CYBMUJFWSA-N 250.342 0.674 0 50 CCAA CCOC(=O)[C@H](Cc1ccccc1)[N@]1C[C@@H]1C(N)=O 1857666468 HLOLXTJETWRSPL-OZVIIMIRSA-N 262.309 0.330 0 50 CCAA O=C1CCCCN1CCn1cnc2cc[nH]c2c1=O 1857740481 PHXCNFOFNVRVNI-UHFFFAOYSA-N 260.297 0.737 0 50 CCAA CN1C(=O)[C@@H](N2CCCCC2)S/C1=C\C(=O)O 2020080 NQFBZYYUAFJYNS-TVRMLOFPSA-N 256.327 0.930 0 50 CCAA in-man CC[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCO1 532072924 IBFKPKDGCVWAHS-JTQLQIEISA-N 261.285 0.375 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)NCCc1ccncc1 818733548 JVXNYXISTKLSSO-ZDUSSCGKSA-N 291.351 0.114 0 50 CCAA Cn1cc(C(=O)NCC2(N)CCCCC2)ccc1=O 237757412 OYMFRGAWSOVJKP-UHFFFAOYSA-N 263.341 0.777 0 50 CCAA CCc1cccc(S(=O)(=O)NC[C@](C)(O)C(=O)O)c1 263488822 NTQPFMIIBLHXDC-LBPRGKRZSA-N 287.337 0.363 0 50 CCAA Cn1cncc1CN1CCN(c2cnccn2)CC1 177003412 WQFVYEXJNTZMDC-UHFFFAOYSA-N 258.329 0.532 0 50 CCAA O=C(c1ccc2[nH]ccc2c1)N1C[C@H](O)C[C@H]1CO 334509379 PQCAXRVQWIUYSG-NWDGAFQWSA-N 260.293 0.736 0 50 CCAA CCOc1nc(C(=O)N2C[C@H](OC)C[C@H]2CO)co1 671513213 PMKIMQVSIPLVMA-DTWKUNHWSA-N 270.285 0.295 0 50 CCAA C[C@@H](C(=O)NCc1c[nH]ccc1=O)N1CCSCC1 2325800979 PGPPMJCBBUAICN-JTQLQIEISA-N 281.381 0.428 0 50 CCAA [O-][n+]1onc2c1CC[C@@H]1N(O)[C@H](c3ccccc3)C[C@]21O 291865 KCRYRGHFKYXPRM-SGMGOOAPSA-N 289.291 0.647 0 50 CCAA Cc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 4333213 WFRDWJBWRHOLCF-GFCCVEGCSA-N 297.376 0.986 0 50 CCAA CCOC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 4546233 FWTIJXRKXMKZAX-UHFFFAOYSA-N 251.238 0.975 0 50 CCAA CNC(=O)[C@@H](NC(=O)N1CCC(OC)CC1)C(C)C 349323279 NRPXLOLFYGUHFB-NSHDSACASA-N 271.361 0.577 0 50 CCAA COc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1 22606535 RDRMBIYARGCSAP-UHFFFAOYSA-N 272.326 0.525 0 50 CCAA CN(C)S(=O)(=O)CCNC(=O)C[C@@H]1C=CCC1 67884818 AGWHOQNSUGRQIX-SNVBAGLBSA-N 260.359 0.350 0 50 CCAA CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 65267672 RFHNVCCGBIEKKP-LLVKDONJSA-N 291.417 0.421 0 50 CCAA O=C(CCn1cc(Cl)cn1)N1CCOC[C@]12CCOC2 281664984 CCRUHZWTSUJJQI-CYBMUJFWSA-N 299.758 0.945 0 50 CCAA Nc1ncc(/C=C/C(=O)N2CCC[C@H](c3nc[nH]n3)C2)cn1 1506397070 PFADYUOUBDKDIQ-UFFNRZRYSA-N 299.338 0.596 0 50 CCAA CCc1ncnc(N[C@H]2CCS(=O)(=O)C2)c1F 217958506 NCVYWFKUTQTHSM-ZETCQYMHSA-N 259.306 0.777 0 50 CCAA O=C(Nc1nc[nH]n1)[C@H]1CC(=O)N(Cc2ccco2)C1 31287853 ODBOLASQZSBMMB-QMMMGPOBSA-N 275.268 0.385 0 50 CCAA C[C@@H]1CC[C@]2(CCN(C(=O)C(=O)NC3CCNCC3)C2)C1 335296545 BNCQFYIBRBZHHR-WBMJQRKESA-N 293.411 0.893 0 50 CCAA CC(C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 38755223 AGDBWZNTIRHWRG-JTQLQIEISA-N 277.390 0.029 0 50 CCAA C[C@](O)(CNC(=O)[C@H]1C[C@]12CCc1ccccc12)C(=O)O 262485004 ILIBMYSJQGPOLZ-KCXAZCMYSA-N 289.331 0.842 0 50 CCAA CC1(CC(F)(F)F)CN(C(=O)[C@H]2CCNC2=O)C1 606444688 NECGDQQOGLYGDC-ZETCQYMHSA-N 264.247 0.923 0 50 CCAA CN1CCC(N(C)C(=O)C[C@H]2CCCC(=O)N2)CC1 377159895 VESGFWSRSVAFNU-LLVKDONJSA-N 267.373 0.598 0 50 CCAA C/C=C/CC(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 77376210 SULHLHDRKNSDNR-PCAWENJQSA-N 290.367 0.689 0 50 CCAA CCNC(=O)C1(NC(=O)c2cocn2)CCCC1 242389665 ZZKDSWQIYWMUDR-UHFFFAOYSA-N 251.286 0.853 0 50 CCAA COc1cccc(CC(=O)N[C@H](CO)C(C)C)n1 338815735 VQXOVLSJHUKXCT-LLVKDONJSA-N 252.314 0.766 0 50 CCAA CC(C)[C@H](C(=O)N1CC[C@@H](C(=O)O)C1)N1CCCC1=O 178264085 GVRJMNAZYGQZAQ-ZYHUDNBSSA-N 282.340 0.567 0 50 CCAA O=C(CNC1CC1)N1CCN(CC2CCOCC2)CC1 178925717 WPFAMRBLLAGXTL-UHFFFAOYSA-N 281.400 0.309 0 50 CCAA CC(C)c1cc(CN(C)C(=O)CN(C)C(N)=O)no1 426549159 LVMJRVJJSDQAFQ-UHFFFAOYSA-N 268.317 0.767 0 50 CCAA Cn1cc(CCC(=O)N2CCC[C@H](C(=O)O)C2)cn1 96402407 SMPUWCQZGYQWRE-NSHDSACASA-N 265.313 0.676 0 50 CCAA N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 237908488 CGLXYUOAHSHVAI-FRRDWIJNSA-N 277.372 0.644 0 50 CCAA O=C(CCCc1cn[nH]c1)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 426519027 WGBKPMWVSNVHLF-CRWXNKLISA-N 293.367 0.323 0 50 CCAA Nc1nc(CNC(=O)CCCN2CCCCC2)n[nH]1 95385161 IQQZDLZOCMCBDU-UHFFFAOYSA-N 266.349 0.269 0 50 CCAA C[C@]1(O)CCN(C(=O)Cc2ccc3c(c2)OCO3)C[C@@H]1O 97492551 HLCFBVGYHNVJTR-ZFWWWQNUSA-N 293.319 0.302 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)[C@H](C)CO1 299739970 UHAIKCPORAGJJW-DDHJBXDOSA-N 291.417 0.057 0 50 CCAA CC(C)C[C@H](NC(=O)CCn1cnnc1)c1ncnn1C 534631768 LCZYCWLDAHARPP-NSHDSACASA-N 291.359 0.700 0 50 CCAA CN(C)C(=O)NCC(=O)NC[C@H]1CCN(C2CCCC2)C1 534663933 HBWXQGQOMXSFIF-GFCCVEGCSA-N 296.415 0.638 0 50 CCAA Cc1cnc([C@H](C)NC(=O)CN2CCCCC2=O)[nH]1 534672403 OYRQKWJGUYOADP-JTQLQIEISA-N 264.329 0.908 0 50 CCAA Cc1cc(C)n(C[C@H](C)NC(=O)Cc2nonc2C)n1 299803033 UVWDMCHUEDLGRY-VIFPVBQESA-N 277.328 0.939 0 50 CCAA CCCCOCC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299795362 MBFCVOGBAOPITL-STQMWFEESA-N 294.355 0.767 0 50 CCAA O=C(NCc1noc([C@@H]2CCCO2)n1)c1cnc[nH]1 299799040 UMJUMZCQWQOMRB-QMMMGPOBSA-N 263.257 0.574 0 50 CCAA CN(CCCCN1CCOCC1)C(=O)c1cnc(N)s1 584902763 RCSBTWVLQHKXIM-UHFFFAOYSA-N 298.412 0.910 0 50 CCAA OC[C@@]1(O)CCN(C2CCN(C3CCCC3)CC2)C1 828697654 PYUZGVKCXCXJOY-OAHLLOKOSA-N 268.401 0.823 0 50 CCAA N[C@@H]1CCN[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C1 757215659 WOHMZBZVPKGQFU-IMSYWVGJSA-N 251.296 0.996 0 50 CCAA C=CC(=O)NCC(=O)Nc1cc(C(=O)NC)ccc1C 1875371052 NARDZPXMLNGBPG-UHFFFAOYSA-N 275.308 0.595 0 50 CCAA Cn1cnnc1CCCC(=O)Nc1ncnc2[nH]cnc12 1875344162 GKFUCTXOXBKKNT-UHFFFAOYSA-N 286.299 0.443 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1CNC(=O)/C=C/CN(C)C 1875377127 TXHKIPRZCGANFG-BXXZLRJFSA-N 253.346 0.135 0 50 CCAA CNC(=O)[C@@]12CCOC[C@H]1CN(c1ncc(F)cn1)C2 952852350 AGUXNMAIQORQHD-NOZJJQNGSA-N 280.303 0.205 0 50 CCAA O=C([C@@H](O)c1ccccc1)N1CCn2cncc2C1 72165410 IZSQXNDHIUFDKF-ZDUSSCGKSA-N 257.293 0.959 0 50 CCAA COCC1(S(=O)(=O)N2CCO[C@H](C)C2)CCC1 1309030923 DXYZPZRJVGOAIK-SNVBAGLBSA-N 263.359 0.606 0 50 CCAA Cn1cnnc1C[C@]1(O)CCCN(CC(F)(F)F)C1 888077042 FRZLVMYORMDLLP-SNVBAGLBSA-N 278.278 0.747 0 50 CCAA Cc1conc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 888095255 VMMHHDVRLUXDNY-WDEREUQCSA-N 292.295 0.293 0 50 CCAA Cc1nonc1CC(=O)N1CCOC[C@]1(C)C1CC1 890591471 PULPOLYUZZVFEQ-CYBMUJFWSA-N 265.313 0.948 0 50 CCAA CN(Cc1ccn(C)n1)C(=O)N[C@@H]1CCCOC1 1519177306 NSJNUSNWTKYCLH-LLVKDONJSA-N 252.318 0.741 0 50 CCAA CC(C)(C)OC(=O)N1CC2(CNC(=O)CC2=O)C1 76914604 SHQCJMCHUZWOLL-UHFFFAOYSA-N 254.286 0.313 0 50 CCAA in-vitro O=C(c1cnns1)N(C[C@H]1CCCN1)C1CC1 186533094 UHBDIIIMNIEMMX-MRVPVSSYSA-N 252.343 0.895 0 50 CCAA O=C([C@H]1CCCN(c2ncc(F)cn2)C1)N1CCOCC1 301804595 XSYYPUIKVMZDSS-NSHDSACASA-N 294.330 0.691 0 50 CCAA Cc1cnc2cc(C(=O)N3CCO[C@@H](CO)C3)ccn12 582130667 KBRHSZQRFQBMJO-GFCCVEGCSA-N 275.308 0.476 0 50 CCAA CC[C@@H](C)[C@H](NCc1nc(N(C)C)[nH]c(=N)n1)C(=O)OC 411527349 FVYLUMABAGMRQX-SCZZXKLOSA-N 296.375 0.027 0 50 CCAA CCN1CCCC[C@H]1CN=c1[nH]c(C)nc(=N)[nH]1 585092902 TTWFSENPNOASGH-JTQLQIEISA-N 250.350 0.301 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C 585135440 KBCWJERAMPPBMS-NEPJUHHUSA-N 267.373 0.572 0 50 CCAA Cn1cc(N2CCN(CCOCC(F)F)CC2=O)cn1 189518029 QLUKRCNMBZTYKW-UHFFFAOYSA-N 288.298 0.350 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccn(C)c1 643949629 RCXWMKGABAEFFO-AWEZNQCLSA-N 279.340 0.392 0 50 CCAA CCCn1cnnc1CN=c1nn[nH]n1-c1ccccc1 1506400221 VHCUFZBMMZQDCK-UHFFFAOYSA-N 284.327 0.698 0 50 CCAA CC(=O)Nc1nonc1NC(=O)c1ccn(C(F)F)n1 1506415123 LSHXSNHCNKISFU-UHFFFAOYSA-N 286.198 0.872 0 50 CCAA C[C@H](O)[C@H](O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 1615541252 JSAQTYDDIIZJRP-WCFLWFBJSA-N 292.335 0.281 0 50 CCAA CCOC1CC(CN2CCC[C@](O)(CC(N)=O)C2)C1 643808133 RRYAUPRDJQIJSN-YIZWMMSDSA-N 270.373 0.504 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CCn2c(O)nnc2C1 336024339 ZPZNKLSABOVOHJ-UHFFFAOYSA-N 281.703 0.632 0 50 CCAA CSc1cncc(NC[C@@](C)(O)CN(C)C)n1 132877093 OICNMGXTQGUAQA-LLVKDONJSA-N 256.375 0.923 0 50 CCAA CO[C@@H]1CCNC[C@@H]1NC(=O)c1cnn2cccc(C)c12 1772700431 ASKRZGSORDNXCU-QWHCGFSZSA-N 288.351 0.749 0 50 CCAA Cc1csc(CN2C[C@@H]3CNC[C@]3(CO)C2)n1 1772705872 CAIAKWDJXHCIDO-CMPLNLGQSA-N 253.371 0.465 0 50 CCAA O=C(O)[C@]1(CC2CC2)CN(CCn2cccn2)CC[C@H]1O 1875240075 HNMHBIXWBSYWDY-UKRRQHHQSA-N 293.367 0.821 0 50 CCAA COc1ncc(C(=O)N2CCOC[C@H]2C(N)=O)cc1Cl 375301361 FNECIKHKRRFUQO-VIFPVBQESA-N 299.714 0.070 0 50 CCAA COc1nccnc1N1C[C@H]2COC[C@@H](C1)CN2C 1704311894 WDLNDJNVRGCYQE-MNOVXSKESA-N 264.329 0.252 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)c2c(Cl)cnn2C)C1 630255748 MCPODCGIJOGMLZ-LLVKDONJSA-N 287.703 0.389 0 50 CCAA CCN1CCN(C(=O)CCc2cn[nH]c2)CC1=O 584897948 RZIYGJROYIHEHO-UHFFFAOYSA-N 250.302 0.033 0 50 CCAA COC[C@]1(C(=O)O)CN(c2nc(C)cc(C)n2)CCO1 711557251 FJHMPJQQQPQGQQ-ZDUSSCGKSA-N 281.312 0.400 0 50 CCAA Cc1nnsc1CNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 384090711 BVKUZECSTXXMKM-SFYZADRCSA-N 269.326 0.964 0 50 CCAA Cn1ncc2c(N3C[C@@H]4COCC[C@]4(N)C3)ccnc21 2325808978 KRADCYHWILDDPO-YGRLFVJLSA-N 273.340 0.522 0 50 CCAA O=C(O)c1cnc(C(=O)Nc2cnn3cccnc23)cn1 2325818610 MSLCSUHWAWHRTC-UHFFFAOYSA-N 284.235 0.470 0 50 CCAA COc1cccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 319678 IVEPJTNIZJFBFM-UHFFFAOYSA-N 261.237 0.324 0 50 CCAA CCn1c(SCC(N)=O)nnc1-c1ccncc1 422541 BICPNYMIGDKTDN-UHFFFAOYSA-N 263.326 0.937 0 50 CCAA COC(=O)[C@@]12COC[C@@H]1CN(Cc1nncn1C(C)C)C2 2356151242 YSQYJMOQZLBCDI-FZMZJTMJSA-N 294.355 0.480 0 50 CCAA C[C@H](NC(=O)C1CCC1)C(=O)N1CCN(C2CC2)C(=O)C1 225449297 QYPXQSAWAVJYLC-JTQLQIEISA-N 293.367 0.124 0 50 CCAA CCOC(=O)C(=CNCCCC(=O)O)C(=O)OCC 100651578 ZAPOOAIMKJQNAZ-UHFFFAOYSA-N 273.285 0.451 0 50 CCAA COC(=O)c1ccn(CC(=O)Nc2ccnn2C)n1 23479186 YMOHBPWNPQJOBS-UHFFFAOYSA-N 263.257 0.042 0 50 CCAA CN(C)CC(=O)Nc1ccc(C(=O)N2CCCO2)cc1 20149516 FHSCIENFOCPRST-UHFFFAOYSA-N 277.324 0.964 0 50 CCAA Cc1ncsc1CCN(C)C(=O)CN1CCOC1=O 67789488 FRXNEKDVFGYVPL-UHFFFAOYSA-N 283.353 0.905 0 50 CCAA CCc1ncc(C(=O)NCC2(N(C)C)CCOCC2)cn1 65436333 LTEPBMVQJMSSQA-UHFFFAOYSA-N 292.383 0.880 0 50 CCAA CC[C@H](C)OCC(=O)N1CCC(O)(COC)CC1 330494442 OXPIASQWZFMNNT-NSHDSACASA-N 259.346 0.801 0 50 CCAA C[C@H](N)C(=O)N1CCC[C@H](Cc2nccn2C)C1 157534450 DWEJJUOJGUACOD-WDEREUQCSA-N 250.346 0.548 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)COCC1CC1 263278761 JGEIULUSHOPPAQ-SNVBAGLBSA-N 257.286 0.115 0 50 CCAA Cn1cc(CCC(=O)N2CCC[C@H]3CNC[C@H]32)cn1 335435343 KCISFUBCBKVXFM-QWHCGFSZSA-N 262.357 0.563 0 50 CCAA C[C@H](C(=O)N1CC(c2ccncc2)C1)N1CCN(C)CC1 426502840 FGBQXPINTBXPIW-CYBMUJFWSA-N 288.395 0.643 0 50 CCAA CC(C)Cn1cncc1CNC(=O)CN1CCN(C)C1=O 426370859 WQORKLMEEKQEHI-UHFFFAOYSA-N 293.371 0.523 0 50 CCAA O=C(NCCc1cnn[nH]1)[C@@H]1CCCN2CCCC[C@H]12 426641453 VBGNGLRRHBZOIG-CHWSQXEVSA-N 277.372 0.728 0 50 CCAA CC[C@@H](NC(=O)[C@@H](N)c1ccc(C)cc1)C(=O)O 230816782 SJTZKFOOTLJUPB-MNOVXSKESA-N 250.298 0.974 0 50 CCAA CCc1nc(C)c(C(=O)N[C@H]2CCN(C)C2=O)o1 293053941 BGQCFTLRXILEKU-QMMMGPOBSA-N 251.286 0.506 0 50 CCAA Nc1cc(-c2cncnc2)nc(N2CCOCC2)n1 97295021 CUTWPIQBDPDYFV-UHFFFAOYSA-N 258.285 0.352 0 50 CCAA CN(C)C(=O)c1cc(NC2=CC(=O)NC2)ccc1N(C)C 524733216 GOUYNALLMJXEPJ-UHFFFAOYSA-N 288.351 0.880 0 50 CCAA O=S1(=O)CCN(Cc2nc(-c3ccncc3)no2)CC1 244723913 MJWMJGZHISOCHE-UHFFFAOYSA-N 294.336 0.362 0 50 CCAA CCN(CC)CC(=O)NCc1cc(O)nc(C)n1 244723480 MCJXNYBLUQCCRI-UHFFFAOYSA-N 252.318 0.449 0 50 CCAA CCc1cc(N2C[C@@H](CO)O[C@H](C)C2)nc(C)n1 299963001 LKERERULCXLPGG-SKDRFNHKSA-N 251.330 0.933 0 50 CCAA CNc1nc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)cs1 534635092 ODLJIYQKNREEIF-ONGXEEELSA-N 296.396 0.778 0 50 CCAA CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@@H]1C=CCN1 534587852 XQJXSCSFSHBUTR-NSHDSACASA-N 285.307 0.618 0 50 CCAA CN(CCO)C(=O)NCCc1nc2ccc(F)cc2[nH]1 534580221 GNZYTZGUPOIVPY-UHFFFAOYSA-N 280.303 0.878 0 50 CCAA O=C(NC[C@@H]1CCNC[C@H]1O)c1ccncc1Cl 534646003 RZGYFPXTONLEIM-GZMMTYOYSA-N 269.732 0.435 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1O)c1cnc(O)c2ccccc12 629239739 VATKHCHDFPOWAC-CHWSQXEVSA-N 288.303 0.820 0 50 CCAA CC[C@H](NC(=O)Cn1cnnn1)c1ncccc1C 534654313 MNOXTIRDWQYCTG-JTQLQIEISA-N 260.301 0.644 0 50 CCAA COCCn1cncc1CNC(=O)c1cncn1C 299772370 ZUNBWJAQPSSERQ-UHFFFAOYSA-N 263.301 0.193 0 50 CCAA CN(C[C@@H]1CCOC1)C(=O)CSc1nncn1C 584889583 NIALDZJIUPBLCJ-VIFPVBQESA-N 270.358 0.402 0 50 CCAA COC(=O)N[C@@H](C)C(=O)N1CCC(Cn2ccnc2)CC1 584897604 PFVOUHGUEXHFNA-NSHDSACASA-N 294.355 0.866 0 50 CCAA CN1CCO[C@H](CNc2ccc(-c3nccn3C)nn2)C1 584898941 GNTXPPIOCNQXJM-LLVKDONJSA-N 288.355 0.620 0 50 CCAA NC(=O)c1cccnc1NCCCN1CCC[C@@H](CO)C1 670449775 OBSWGONVQJFWAM-GFCCVEGCSA-N 292.383 0.687 0 50 CCAA N[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H]1n1ccnn1 952852615 HSGZSUIEFVQGPK-SFYZADRCSA-N 299.260 0.476 0 50 CCAA CC(C)c1nc2c(n1C)CCN(C[C@]1(O)CCNC1)C2 952876952 IXZHUTXKUDMGFT-HNNXBMFYSA-N 278.400 0.626 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)/C=C/CN(C)C 1875375707 LYOGVXBBPRTULW-AATRIKPKSA-N 250.346 0.803 0 50 CCAA O=C(O)[C@H](CCO)NC(=O)[C@H]1CCCc2c(O)cccc21 1875354679 LEXRYAZYBYSOLU-RYUDHWBXSA-N 293.319 0.764 0 50 CCAA Cc1ncc(C(=O)N2C[C@H]3CCC[C@]3(N)C2)c(N)n1 1344103348 ZUHFZYWHRSZQTM-RNCFNFMXSA-N 261.329 0.321 0 50 CCAA Cc1cc(CS(=O)(=O)N2CCC(N(C)C)CC2)no1 408018555 SZILJMTTZKZKQO-UHFFFAOYSA-N 287.385 0.839 0 50 CCAA Cn1cnnc1C1CCN(C(=O)c2cncc(O)c2)CC1 408128262 MEJGAULDJKTYIX-UHFFFAOYSA-N 287.323 0.936 0 50 CCAA CCc1nnc(C(=O)N[C@@H](CCO)C2CC2)s1 901093603 KGYVHADMCBJRHS-QMMMGPOBSA-N 255.343 0.991 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)Nc1cnn(CC(=O)NC)c1 277089595 VKPNYWABEZIUMV-VXGBXAGGSA-N 294.355 0.773 0 50 CCAA COCCO[C@@H](C)c1nnc2n1C[C@@H](C(=O)OC)CC2 601045521 VYEKLWPGLAEGJE-UWVGGRQHSA-N 283.328 0.738 0 50 CCAA C[C@@H]1C[C@@H](N2CCOCC2)CN1CCc1cnccn1 639641537 KTTRJLPLAQJGEZ-UKRRQHHQSA-N 276.384 0.814 0 50 CCAA O=C(N[C@H](CO)C1CCC1)c1cnnn1C1CCNCC1 662853048 OBAHFRSJVHTWIB-GFCCVEGCSA-N 293.371 0.093 0 50 CCAA CNc1ccnc(N2CCOC[C@H](CN(C)C)C2)n1 1506414643 HKYCFNDWHMFMRK-LLVKDONJSA-N 265.361 0.533 0 50 CCAA Cc1n[nH]cc1CN(C)C(=O)CCS(C)(=O)=O 952967303 ZTZPIRCKGICUJF-UHFFFAOYSA-N 259.331 0.111 0 50 CCAA COCCN1CC[C@H](CN(C)Cc2nc(C)no2)C1 1506403655 TUEZRVIMNCOFPT-GFCCVEGCSA-N 268.361 0.778 0 50 CCAA COc1ccc([C@@H](C(=O)O)N(C)CC(N)=O)cc1F 1529114227 MWTFSFHKVIPLPU-NSHDSACASA-N 270.260 0.377 0 50 CCAA O=C(N[C@H]1CCNC[C@@H]1O)c1sccc1Cl 710485007 CIWMBNHQPIRTGV-YUMQZZPRSA-N 260.746 0.854 0 50 CCAA CCCS(=O)(=O)N[C@@H]1C[C@H]2CO[C@H](C)CN2C1 1857718355 FUTAAXNFVAACEC-MXWKQRLJSA-N 262.375 0.177 0 50 CCAA O=C(O)C[C@@H]1CN(CCOc2ccc(F)cc2)C[C@H]1O 1857721184 DBEZUTVLSWKISY-ZWNOBZJWSA-N 283.299 0.972 0 50 CCAA Cc1cc(C)n(CC(=O)N=c2cnn(C(C)C)[nH]2)n1 1875241042 MOWZPVKUILPJNR-UHFFFAOYSA-N 262.317 0.733 0 50 CCAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]21 1704299005 LMXCVUZTPMTVHP-GBIKHYSHSA-N 264.329 0.818 0 50 CCAA CCOCCN1CCN(C(=O)c2csnn2)CC1 110918059 CNZWNOGNDGYCND-UHFFFAOYSA-N 270.358 0.332 0 50 CCAA NS(=O)(=O)CCc1cn(Cc2cccs2)nn1 656431797 NYIKVPBQHKFCDB-UHFFFAOYSA-N 272.355 0.219 0 50 CCAA CN[C@H]1CCCN(C(=O)CCN2CCCC2=O)C1 132895762 QMPPDFZCVCJKTI-NSHDSACASA-N 253.346 0.209 0 50 CCAA COc1c(C)cc(S(=O)(=O)NOCC(=O)O)cc1C 1875258569 OASAEROHPGNRJV-UHFFFAOYSA-N 289.309 0.607 0 50 CCAA C[C@@H]1CC[C@H](S(=O)(=O)N2CC(=O)NC(C)(C)C2)C1 1875298203 RGMRSAVEQNKABT-ZJUUUORDSA-N 274.386 0.715 0 50 CCAA Cc1noc(-c2ccnc(N3C[C@H](O)[C@@H](F)C3)c2)n1 1616070317 CEOCGVODKJVQGG-UWVGGRQHSA-N 264.260 0.959 0 50 CCAA COCCOCCOCCOCCOC[C@H]1CO1 202708381 YBNLIMPNCMSLBE-LBPRGKRZSA-N 264.318 0.098 0 50 CCAA COc1nc(N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)ncc1F 1857668864 JUMAVLWYRNFHQF-ISVAXAHUSA-N 297.286 0.552 0 50 CCAA O=C1C[C@H]2CN(C(=O)CCCn3cccn3)C[C@H]2N1 1857674597 PHOAWEWKOWDHPY-WDEREUQCSA-N 262.313 0.010 0 50 CCAA O=C(NCCN1CCCCC1=O)c1ccns1 1857692866 XYVGNELJSNNWKA-UHFFFAOYSA-N 253.327 0.885 0 50 CCAA OC[C@H](O)CN1CCc2[nH]nc(-c3ccccc3)c2CC1 1857711239 PIAJBUDIJXALCG-CYBMUJFWSA-N 287.363 0.831 0 50 CCAA N[C@H]1C[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)C[C@@H]1O 1857735373 AXHGONYLYRARIO-GVXVVHGQSA-N 278.356 0.214 0 50 CCAA CN1CCN(C(=O)c2cccnc2O)C[C@H]1c1ncc[nH]1 328617954 DGFDMGKSVABWGK-NSHDSACASA-N 287.323 0.639 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2cccc(OC)n2)C1 643757524 OEWZRHHARUJXNZ-HNNXBMFYSA-N 293.367 0.553 0 50 CCAA COC[C@H]1CN(C(=O)c2ncc3n2CCCC3)CCO1 631479950 BVLYFHOPPMKJBZ-GFCCVEGCSA-N 279.340 0.707 0 50 CCAA CC(C)S(=O)(=O)CC(=O)Nc1c2c(nn1C)CCC2 331382638 JYZDKXRCOHCOIJ-UHFFFAOYSA-N 285.369 0.671 0 50 CCAA C[C@H]1CCN(C(=O)Cn2c(O)nc(=O)c3ccccc32)C1 263648131 CXWVKRCSGIWNRA-JTQLQIEISA-N 287.319 0.971 0 50 CCAA CC1(C)COCC[C@@H]1NC(=O)c1cc(O)ncn1 1875278698 WOZBQUGIFYDDFJ-VIFPVBQESA-N 251.286 0.727 0 50 CCAA C[C@@]1(C(=O)Nc2cccc3c2CNC3=O)CCNC(=O)C1 905566392 VAIHCMLQMYQEIC-OAHLLOKOSA-N 287.319 0.785 0 50 CCAA COCCOC1CCN(c2cc(C)nc(N)n2)CC1 32590498 VFUJJFIRUKOIAK-UHFFFAOYSA-N 266.345 0.999 0 50 CCAA CSCC[C@H](O)C(=O)NCc1[nH]cc(C)c(=O)c1C 426623001 OUBKPARSDQVHAV-NSHDSACASA-N 284.381 0.722 0 50 CCAA Cc1ccc(C)c(CC(=O)N[C@H]2CCNC[C@@H]2O)c1 710410593 VRDMTNFGPBTXGB-KBPBESRZSA-N 262.353 0.685 0 50 CCAA CN(C)c1cc[n+](C[C@H](Br)C(N)=O)cc1 5342465 GGXUHXRIOZJZLL-VIFPVBQESA-O 273.154 0.289 0 50 CCAA CCCCc1ncc(CN2CCO[C@@H](c3nn[nH]n3)C2)[nH]1 2100473623 OAXCCVVQIPXKIH-LLVKDONJSA-N 291.359 0.839 0 50 CCAA O=C(CCCc1nn[nH]n1)N1C[C@@H]2CC[C@]2(CF)C1 2325763286 KZKOWLITSQOREI-CABZTGNLSA-N 267.308 0.731 0 50 CCAA Cc1n[nH]cc1CNC(=O)c1nn(C)c2c1CNCC2 2325778367 VTLVAAQLMRAVAR-UHFFFAOYSA-N 274.328 0.027 0 50 CCAA Cc1nc(NC2=N[C@H](CC(=O)O)C(=O)N2)nc2ccccc12 519554 KJXPSUWAMHYONM-SNVBAGLBSA-N 299.290 0.679 0 50 CCAA biogenic CNC(=O)c1ccccc1NC(=O)CCC(=O)O 1558557 JPDKXUJGAHNPTE-UHFFFAOYSA-N 250.254 0.850 0 50 CCAA Cn1c(NC(=O)c2ccccc2F)cc(=O)n(C)c1=O 2711230 UERBLZLRIDVOTA-UHFFFAOYSA-N 277.255 0.475 0 50 CCAA Cc1nc(N2CCN3CCNC(=O)[C@@H]3C2)nc(C)c1C 2356138441 BUHKEOKUTGWFQT-LBPRGKRZSA-N 275.356 0.022 0 50 CCAA Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCCO1 2812185 ICEWNGRUTNXNHM-ZDUSSCGKSA-N 276.336 0.906 0 50 CCAA O=S1(=O)CC[C@@H](NNC(=S)Nc2ccccc2)C1 4982154 NVLHNWCIVAAJAV-SNVBAGLBSA-N 285.394 0.665 0 50 CCAA C[C@@H]1CCC[C@H](O[C@H](C)C(=O)NN2CC(=O)NC2=O)C1 225436085 UBWPVGVKAWBTLC-BBBLOLIVSA-N 283.328 0.553 0 50 CCAA CCOc1ccccc1C(=O)N1C[C@H](N)C[C@H]1C(=O)NC 67689134 QUWLIHPSHCUXLV-PWSUYJOCSA-N 291.351 0.373 0 50 CCAA C[C@@]1(NC(=O)CCCn2cccn2)CCS(=O)(=O)C1 63452738 NTGUXLJLISURSC-GFCCVEGCSA-N 285.369 0.357 0 50 CCAA CCNCCNS(=O)(=O)c1cccc2c1OCCO2 123651745 VQAJROSROWIDDK-UHFFFAOYSA-N 286.353 0.346 0 50 CCAA CS(=O)(=O)[C@H]1CCN(c2ncnc3[nH]ccc23)C1 283612216 UOCBXDMLUXKOKU-QMMMGPOBSA-N 266.326 0.581 0 50 CCAA C[C@@H]1CCO[C@H]1C(=O)N1CCN(C)[C@H](c2nccn2C)C1 328640166 XFVLYGINABZGBI-FRRDWIJNSA-N 292.383 0.660 0 50 CCAA CN(Cc1noc2c1CCCC2)C(=O)C[C@H]1COCCN1 72165415 WGFLSMLDJLBPCG-NSHDSACASA-N 293.367 0.890 0 50 CCAA CC(=O)N[C@@H](C(=O)N1CC[C@@H](N)C1)C1CCCC1 132273551 CUHSNWRXOBBSKH-VXGBXAGGSA-N 253.346 0.241 0 50 CCAA CC(C)CNC(=O)C(=O)N1CCCn2cncc2C1 72138972 GFYBNKUZDKTQFW-UHFFFAOYSA-N 264.329 0.388 0 50 CCAA Cc1nnnn1CCC(=O)N(C)CCC[C@@H]1CCCO1 219939355 REQSITJXGNJNQG-GFCCVEGCSA-N 281.360 0.789 0 50 CCAA C[C@H](NC(=O)N[C@H](C)[C@H]1CCCO1)c1nncn1C 240894781 IPUMFLPFDNDNRA-KXUCPTDWSA-N 267.333 0.743 0 50 CCAA Cn1nc(C(=O)NC[C@@H]2CN3CCN2CC3)cc1C1CC1 333051985 LJMFURFCGOAEMX-GFCCVEGCSA-N 289.383 0.027 0 50 CCAA C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCO[C@@H](C(=O)O)C1 262933613 GPPWLIZOOPKDLG-GRYCIOLGSA-N 285.340 0.894 0 50 CCAA Cc1cc(NCCS(C)(=O)=O)n2nc(C)cc2n1 72433148 WIBKHTACDHAQDK-UHFFFAOYSA-N 268.342 0.803 0 50 CCAA NC(=O)C[C@@H]1CCCN(C(=O)Cc2ccoc2)C1 127799306 PVNZTNWFLRFMPG-JTQLQIEISA-N 250.298 0.936 0 50 CCAA CCNc1nc(C)c(C(=O)N2CCN[C@@H](C(=O)O)C2)s1 71751402 BUUJNPLGQWFPQN-MRVPVSSYSA-N 298.368 0.382 0 50 CCAA Cc1csc(N2CCC(C(=O)NCC(=O)O)CC2)n1 237816524 IOQUCQWFWPCBDD-UHFFFAOYSA-N 283.353 0.869 0 50 CCAA O=C(N[C@@H]1CCCCNC1)N1CC[C@]2(CCCNC2)C1 334941079 OMBIEHICCDJNDJ-HIFRSBDPSA-N 280.416 0.914 0 50 CCAA O=C(NCCn1ccnn1)C1Cc2ccccc2C1 426677408 HKKBABKTMMTNKK-UHFFFAOYSA-N 256.309 0.809 0 50 CCAA COc1ncc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)cn1 426693849 SXITZLDSPFONPJ-SNVBAGLBSA-N 273.296 0.496 0 50 CCAA COc1nccnc1N(C)CC1(CO)CCOCC1 96130908 CAOGAGNUIQUIGZ-UHFFFAOYSA-N 267.329 0.711 0 50 CCAA Cc1cnc(N)nc1N1CCCO[C@@H](Cn2cccn2)C1 91625926 YJDAFMKPXICDRY-GFCCVEGCSA-N 288.355 0.859 0 50 CCAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1ncn[nH]1 244795176 RAZWDIKMXXGZHD-ADEWGFFLSA-N 287.323 0.312 0 50 CCAA CS(=O)(=O)CCC(=O)NC[C@@H]1COc2ccccc2O1 242927099 GXEUVUIWAYWOPX-SNVBAGLBSA-N 299.348 0.377 0 50 CCAA COc1ccc(CN2CCC([C@@H](O)C(N)=O)CC2)cn1 299746675 ZAIHYQWSRVFCPB-CYBMUJFWSA-N 279.340 0.148 0 50 CCAA Cc1ccc(C(=O)NC2(C(=O)O)CCC2)c(=O)n1C 534642952 OBOUHBYANBSVAZ-UHFFFAOYSA-N 264.281 0.431 0 50 CCAA CN1C[C@@H](C(=O)N2CCOc3ccccc3C2)CC1=O 618262796 YCEBEHHIORVXOC-LBPRGKRZSA-N 274.320 0.886 0 50 CCAA CC[C@@H](CO)NS(=O)(=O)CC(=O)c1ccccc1 725375002 BCBAIGJAFWSTOF-NSHDSACASA-N 271.338 0.560 0 50 CCAA O=C(NCCc1nccs1)[C@@H]1CCCCn2nnnc21 584904180 UTAYMHSZICMUTP-SECBINFHSA-N 292.368 0.756 0 50 CCAA CN(C)S(=O)(=O)NCc1nc(-c2cccnc2)no1 823725405 AZVYGRNWVWZPFN-UHFFFAOYSA-N 283.313 0.028 0 50 CCAA Cn1cnnc1CCC(=O)NCCc1cn2ccccc2n1 827823024 HBBZLSOOPFOCFS-UHFFFAOYSA-N 298.350 0.754 0 50 CCAA O=C(C[C@@H]1CCCOC1)NCCN1CCCCC1=O 584898268 XWLCWXZQCBVUPK-LBPRGKRZSA-N 268.357 0.932 0 50 CCAA COc1nc(N2CCC(N3CCOCC3)CC2)ncc1F 670451180 FAXDUSUDVGLMJM-UHFFFAOYSA-N 296.346 0.925 0 50 CCAA CN(C)C[C@@H]1CCN(c2cncc(C(=O)N(C)C)n2)C1 670435244 LMVHTYLZKSGICJ-NSHDSACASA-N 277.372 0.566 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCCC1(O)CCCC1 670437978 PVEQVDCBPDWMNI-SECBINFHSA-N 258.318 0.542 0 50 CCAA Cn1cnc(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)c1 1875259559 VFTBQECBCSANSD-UHFFFAOYSA-N 276.300 0.264 0 50 CCAA Cc1c(C(=O)NCC(=O)NC2CC2)ccc2cncn12 1875257680 CODSXHOYGDZMDL-UHFFFAOYSA-N 272.308 0.651 0 50 CCAA NC(=O)c1ccc(C(=O)N[C@@H]2CCn3cncc3C2)[nH]1 1875268418 LAKRCXQLJZPQMG-MRVPVSSYSA-N 273.296 0.055 0 50 CCAA N=c1nc2c(c[nH]1)CCN(C(=O)CC[C@@H]1CCC(=O)C1)C2 1875314234 OHPDJWLVCOLUQF-JTQLQIEISA-N 288.351 0.923 0 50 CCAA C=CC(=O)N(C)CC(=O)N(C)Cc1ccnn1CC 1875366310 XVXNDQUQIMILGJ-UHFFFAOYSA-N 264.329 0.506 0 50 CCAA OC1(c2cnn[nH]2)CN(c2c(F)c(F)nc(F)c2F)C1 952876105 XGDUSNSQXNZOLY-UHFFFAOYSA-N 289.192 0.464 0 50 CCAA CCO[C@@H]1C[C@@H](N(C)C(=O)C2(N)CC(O)C2)C1(C)C 952882462 FTLPFPQQBIIQDK-JXRVJTEKSA-N 270.373 0.501 0 50 CCAA CN1[C@H]2CC[C@H]1CC(O)([C@H](N)c1cncn1C)C2 958528741 UAYIMCZDBXSWOK-JBLDHEPKSA-N 250.346 0.408 0 50 CCAA O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)c1nnc(O)nc1O 1362270479 WZEQKLYQFNDGOH-GARJFASQSA-N 298.302 0.741 0 50 CCAA C[C@H]1CN(C(=O)c2cccn2C)CCS(=O)(=O)C1 408392566 FWEOBCZQGLNIMX-JTQLQIEISA-N 270.354 0.532 0 50 CCAA CN(C)[C@@H](C(=O)NC1CCOCC1)c1cncn1C 1321141560 ZWGXWADUNUWRGC-GFCCVEGCSA-N 266.345 0.318 0 50 CCAA C[C@H]1CC[C@H](O)CN1S(=O)(=O)CCn1ccnc1 641541786 WFIKEMXHHAGKMN-QWRGUYRKSA-N 273.358 0.058 0 50 CCAA CCNC(=O)N1CC[C@H](NC(=O)Nc2cnns2)C1 192349041 UAGWGGKVJCBHHP-ZETCQYMHSA-N 284.345 0.463 0 50 CCAA CC1(NC(=O)c2ccc3c(c2)NC(=O)CO3)CCNCC1 193367328 BWSWEUNBWRUKNF-UHFFFAOYSA-N 289.335 0.889 0 50 CCAA CN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)C(C)(C)C 563181547 BXFPLQXRPZPOOK-UHFFFAOYSA-N 290.367 0.888 0 50 CCAA CN(C)C(=O)[C@H]1CN(c2ccncc2F)CCO1 1506396890 PBSPEBULNGIYBD-LLVKDONJSA-N 253.277 0.514 0 50 CCAA CCCN1C[C@H](Nc2nc(C(=O)O)co2)CC1=O 1506403870 ZSVJFPPCMPXXBD-SSDOTTSWSA-N 253.258 0.796 0 50 CCAA Cc1nncn1CCN1CCC(N2CCC(O)CC2)CC1 1506402787 LILANEPDKVNJJJ-UHFFFAOYSA-N 293.415 0.508 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)c2cncn2C)CC[C@@H]1O 1857721782 FZGFQPRNVPHMER-JSGCOSHPSA-N 281.356 0.406 0 50 CCAA CCCN(C(=O)c1ccnn1C)[C@@H]1CCS(=O)(=O)C1 330475980 UJVQZDLHSKTMFM-SNVBAGLBSA-N 285.369 0.459 0 50 CCAA COCCn1ncc(C(=O)N2C[C@@H]3CC[C@]3(N)C2)c1C 1615545387 GOHJIQQFJUBMHX-FZMZJTMJSA-N 278.356 0.401 0 50 CCAA COc1nc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)ncc1F 1772703103 VFCSMTRFHDQJCA-RYUDHWBXSA-N 296.346 0.660 0 50 CCAA Cn1c(=O)n(CC(=O)O)c(=O)c2oc3ccccc3c21 1775973604 VZFKQGGJNIMIQC-UHFFFAOYSA-N 274.232 0.531 0 50 CCAA CCc1cnc(N)nc1N1CCOC2(CCN(C)CC2)C1 1775981106 OSWGMLUQXMWFDL-UHFFFAOYSA-N 291.399 0.922 0 50 CCAA CCSCCn1ncc(N2CCNCC2)cc1=O 19334822 SNSWXIYKQKPNMO-UHFFFAOYSA-N 268.386 0.406 0 50 CCAA Cc1nc(CC(=O)N2CC[C@@H]3NCCC[C@@H]3C2)n[nH]1 1857695832 ZVLGSWMSHLQLAQ-MNOVXSKESA-N 263.345 0.256 0 50 CCAA COC(=O)[C@H](CCCNC(N)=O)NC(=O)c1ccccc1 2575532 ARLRYYLMUJSMGC-NSHDSACASA-N 293.323 0.407 0 50 CCAA in-vitro Cn1cc(Cl)c(CNC(=O)N2C[C@H]3CC[C@H]2CN3)n1 333270526 KIGVCUJYTFDGQF-BDAKNGLRSA-N 283.763 0.719 0 50 CCAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CNC(=O)C1CC1 252505851 OADHVAUBGHXLSN-XRRVDJEJSA-N 294.351 0.217 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@H]1C(=O)O 262085407 FVCGJDPJQXOUEG-DCAQKATOSA-N 271.313 0.646 0 50 CCAA O=C(O)[C@H]1CCCN(C(=O)CCOC[C@@H]2CCCO2)C1 262508731 ZZADRDSFYUNBEA-RYUDHWBXSA-N 285.340 0.895 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)[C@H](C)n1cncn1 20540761 SIWQHDSIGLGIRI-JTQLQIEISA-N 262.317 0.538 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CCOCc2ccccc2)CCO1 262961359 KFZFOTQYTZDESC-ZDUSSCGKSA-N 293.319 0.905 0 50 CCAA CSCCN1CCN(C(=O)c2cn[nH]c2)CC1 299794703 MWFIZYGWIVWMTF-UHFFFAOYSA-N 254.359 0.531 0 50 CCAA CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)OCC)CC1=O 56420 KSKWGMNRWCYVAT-YUMQZZPRSA-N 256.254 0.277 0 50 CCAA Cc1ccc(C)c(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 619191 LYPKBYMSBBRATM-UHFFFAOYSA-N 289.291 0.698 0 50 CCAA CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 10302130 XIGASGVXQNCBJI-SNVBAGLBSA-N 262.375 0.574 0 50 CCAA COC[C@@H]1CN(C(=O)CCn2ccnn2)CC(C)(C)O1 343714828 BZHKXJIVSGKBRS-NSHDSACASA-N 282.344 0.321 0 50 CCAA CC(C)(CN1[C@H]2CC[C@@H]1CCNC2)N1CCOCC1 65451955 FGJAJMWVUBXBEP-KGLIPLIRSA-N 267.417 0.924 0 50 CCAA CN1CCC[C@H](CN(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 115434960 IITIPIYCYWLCJM-NWDGAFQWSA-N 288.413 0.221 0 50 CCAA COc1ccc(C)cc1N([C@@H](C)C(N)=O)S(C)(=O)=O 65364665 OWFCTMLWQQGLMP-VIFPVBQESA-N 286.353 0.643 0 50 CCAA N[C@H](C(=O)Nc1ccn([C@@H]2CCNC2)n1)c1ccccc1 328626374 LQKZVEPVFIKEHQ-OCCSQVGLSA-N 285.351 1.056 0 50 CCAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)[C@H]1CCOC1 328637521 WACUBSZIOOJBRV-NEPJUHHUSA-N 263.341 0.940 0 50 CCAA CSC[C@H](C)C(=O)Nc1ccn([C@H]2CCNC2)n1 328645381 ZPQRCUZYXFZMCM-UWVGGRQHSA-N 268.386 1.355 0 50 CCAA COC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1c1ccccc1 253432436 KJBWCGDRLLIPGF-STQMWFEESA-N 292.335 0.306 0 50 CCAA C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc2c(c1)ncn2C 360655038 WUSYDVRFGHQJJT-JTQLQIEISA-N 286.335 0.876 0 50 CCAA O=C([C@H]1CCc2nncn2C1)N1CCC(CCCO)CC1 332611929 ULSCDNRXIUZVOT-ZDUSSCGKSA-N 292.383 0.852 0 50 CCAA O=C(NCCn1ncnn1)[C@H]1C[C@@]12CCOc1ccccc12 332728303 UXBYSYKSRSDQGU-IUODEOHRSA-N 299.334 0.530 0 50 CCAA CN1CCN2CCN(C(=O)c3ccc(F)c(O)c3)C[C@@H]2C1 219381243 CIIDUCQPYSILKJ-LBPRGKRZSA-N 293.342 0.603 0 50 CCAA O=C(Nc1ccn(Cc2ccccc2)n1)[C@H]1C[C@H](O)CN1 366337710 IEKXWGWJIBAUTH-QWHCGFSZSA-N 286.335 0.593 0 50 CCAA Cn1cncc1C(=O)N1CCC[C@](O)(CN2CCCC2)C1 77487783 UUJBXLCIMHNUFH-HNNXBMFYSA-N 292.383 0.483 0 50 CCAA C[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 261813442 HEJGHLHITGRXSM-CKYFFXLPSA-N 265.357 0.336 0 50 CCAA COCc1cc(NCc2n[nH]c(C)n2)n2nccc2n1 72458293 WGCSPIBTHFUAJN-UHFFFAOYSA-N 273.300 0.914 0 50 CCAA O=C1CC[C@@H](n2cc(Br)cn2)C(=O)N1 2325900628 CFUCLJIOSMCTCA-ZCFIWIBFSA-N 258.075 0.623 0 50 CCAA CN1CCN(c2cncc3nncn23)C[C@H]1c1nccn1C 373679107 DNLPIBZTRXBZDD-NSHDSACASA-N 298.354 0.351 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)c1cnccn1 223503921 QGHCVRONTXAVDB-VIFPVBQESA-N 260.301 0.969 0 50 CCAA Cc1ccnc(N2CCC[C@H](NS(C)(=O)=O)C2)c1 131352726 HELCCUQOPOILAY-NSHDSACASA-N 269.370 0.908 0 50 CCAA CN(C)c1ccc(CN2CC[C@@H](N)[C@H](O)C2)cn1 82167144 AMYABPDBTNQNHW-VXGBXAGGSA-N 250.346 0.042 0 50 CCAA COCCn1cncc1CNC(=O)CCc1ccnn1C 426387671 MAAAEUIUCHJVJC-UHFFFAOYSA-N 291.355 0.512 0 50 CCAA COC(=O)N[C@@H](C)C(=O)N(C)Cc1cnccn1 221306034 NWIPIJNJJCYKOZ-QMMMGPOBSA-N 252.274 0.180 0 50 CCAA O=C(Cc1nc(O)n[nH]1)NCc1n[nH]c2c1CCCCC2 426668521 ZMPBEMDCKLCTAN-UHFFFAOYSA-N 290.327 0.361 0 50 CCAA COc1ccc(NC(=O)N2CCNC(=O)CC2)c(C)n1 296479820 BUNCFGYLKFRPRB-UHFFFAOYSA-N 278.312 0.752 0 50 CCAA CN(Cc1ccoc1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C 91621491 LOSLGSZUGQXHPH-JTQLQIEISA-N 279.296 0.521 0 50 CCAA N[C@H]1CCC[C@@H]1C(=O)N1CCN(Cc2ccon2)CC1 237839318 KXOGXUNENSWBBV-STQMWFEESA-N 278.356 0.446 0 50 CCAA C[C@@H](CNS(=O)(=O)C1CC1)NCc1cccc(CO)c1 534576728 KXERKVJUDUBJAR-NSHDSACASA-N 298.408 0.739 0 50 CCAA Cc1cn2nc(C(=O)N3CCOCC3)cc2c(O)n1 263615750 FASRWQPUAARYFS-UHFFFAOYSA-N 262.269 0.216 0 50 CCAA CC(C)CNC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O 263585091 DYSUKIMGBPPJBV-NSHDSACASA-N 293.323 0.862 0 50 CCAA biogenic O=C(CCCc1ccc(F)cc1)N[C@H]1CNCC[C@H]1O 534633556 HIQLQTMQLDSSJK-UONOGXRCSA-N 280.343 0.987 0 50 CCAA COCc1noc(CNC(=O)N(C)C[C@@H]2CCCO2)n1 534590662 JTTXJZVGOANGPA-VIFPVBQESA-N 284.316 0.536 0 50 CCAA CCc1n[nH]c(C(=O)N[C@@H](C)C(N)=O)c1Br 278985719 PKIJUNWLIDBITD-BYPYZUCNSA-N 289.133 0.338 0 50 CCAA CNC(=O)c1ccc(CNC(=O)CCCn2cccn2)o1 299785028 IQCKKVOFBHMFEP-UHFFFAOYSA-N 290.323 0.932 0 50 CCAA CCc1csc(CCNS(=O)(=O)c2cn[nH]c2)n1 823543007 OSHAOMDOLIWMKO-UHFFFAOYSA-N 286.382 0.950 0 50 CCAA NC(=O)CN1CCC[C@H](C(=O)N2CCC3(CCCC3)C2)C1 826838675 ASHNPBOUAIIWGD-ZDUSSCGKSA-N 293.411 0.976 0 50 CCAA CNC(=O)CCCNC(=O)N1CC(c2ccccn2)C1 823819828 GVXXSHUUOZGGSG-UHFFFAOYSA-N 276.340 0.717 0 50 CCAA O=C1CCCN1CCCC(=O)N1CCSCC1 827968454 OMPGOXYMUNQCSO-UHFFFAOYSA-N 256.371 0.964 0 50 CCAA Cc1nc2ccc(C(=O)NCCCc3nn[nH]n3)cc2[nH]1 584896204 YCEQEGUVUVOTCI-UHFFFAOYSA-N 285.311 0.747 0 50 CCAA C[C@H](C(=O)NCCCn1ccccc1=O)N1CCCC1 670446001 SJEDMGRRNZHKFU-CYBMUJFWSA-N 277.368 0.839 0 50 CCAA CCNS(=O)(=O)c1ccc(N2CCCC2)nc1 1875257360 AMPJGDUJKNDVMH-UHFFFAOYSA-N 255.343 0.980 0 50 CCAA C=CC(=O)N(C)CC(=O)N1C[C@@H](CO)C2(CCC2)C1 1875370346 LCLXPACEQJRMEG-NSHDSACASA-N 266.341 0.252 0 50 CCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)COC(C)C)C2 952851508 MCTVMFPQNTVAPL-RISCZKNCSA-N 284.356 0.023 0 50 CCAA O=C1C[C@@H](C(=O)NC2(c3ccccc3)COC2)CCN1 888566249 MSCBCTBVAWASLJ-NSHDSACASA-N 274.320 0.555 0 50 CCAA CCn1cc([C@H](C)NC(=O)[C@H]2CN(C)CCO2)cn1 1337251879 FRDXFDMGPYLLJS-CMPLNLGQSA-N 266.345 0.411 0 50 CCAA C=CC(=O)N[C@H]1CCC(=O)N[C@@H]1c1ccnn1CC 1776007307 UEZHZUHMSVLLEF-ZANVPECISA-N 262.313 0.525 0 50 CCAA Cn1cnc2ccc(C(=O)N[C@@H](CO)[C@@H]3CCOC3)nc21 1417698993 BXVKABWGSVOEIG-SKDRFNHKSA-N 290.323 0.096 0 50 CCAA CC(C)N1C[C@H](C(=O)N2CC(OC(F)F)C2)CC1=O 1775996541 FMWYBOFERBWWDT-MRVPVSSYSA-N 276.283 0.693 0 50 CCAA CCN(CCc1nccs1)S(=O)(=O)C1COC1 276994899 HJTISQZSVRVZRF-UHFFFAOYSA-N 276.383 0.736 0 50 CCAA CCOc1cc(N2CCS(=O)(=O)C[C@@H](C)C2)ncn1 277384363 GAZVHJUBSWZLDI-JTQLQIEISA-N 285.369 0.746 0 50 CCAA NC(=O)c1ccccc1NS(=O)(=O)C[C@H]1CCCO1 171805361 UBQOMNLHPIGDME-SECBINFHSA-N 284.337 0.706 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cc(C(N)=O)c[nH]1 189002257 DGOADXZHBWZMPE-LLVKDONJSA-N 292.339 0.100 0 50 CCAA COC(=O)N[C@H](C(=O)Nc1ccnnc1)C(C)C 585087160 CKWYRSFRDHTGDR-VIFPVBQESA-N 252.274 0.796 0 50 CCAA Cc1cccn(CC(=O)N2CCOCC(F)(F)C2)c1=O 585084095 CDYVDVZGEPKOJT-UHFFFAOYSA-N 286.278 0.651 0 50 CCAA O=C(O)c1ccc(OCCNC(=O)c2ccnnc2)cc1 679096282 PLBRWUBMPYHLGC-UHFFFAOYSA-N 287.275 0.984 0 50 CCAA CNC(=O)Cn1cc(NCC(C)(C)N2CCOCC2)cn1 585117842 ZPJQXTKDOPAWLK-UHFFFAOYSA-N 295.387 0.152 0 50 CCAA O=C(Nc1ccc2c(c1)CCOC2)C1=NN2CCCN=C2N1 662884235 RSHPZPBNEOVFNF-UHFFFAOYSA-N 299.334 0.676 0 50 CCAA Cn1c(CO)nnc1[C@H]1CCCN(c2cnccn2)C1 1506405932 XYNADBZRJKCVLI-JTQLQIEISA-N 274.328 0.481 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cccc(OC)c1 209791009 LZOABDHPJQNWKR-YPMHNXCESA-N 293.319 0.834 0 50 CCAA CC(C)n1nnnc1CN[C@@H]1CCCC[C@@H]1CO 125123768 ZJEAAVOWARPBNL-GHMZBOCLSA-N 253.350 0.895 0 50 CCAA CC(C)c1cnc(N2CC[C@@H](O)[C@@H](C(=O)O)C2)nc1 1704344952 QZWJUJHIFUNRTF-WDEREUQCSA-N 265.313 0.872 0 50 CCAA CN[C@H]1CCCN(CC(=O)N(C)c2nccs2)C1 261779152 PAIHERLVFNYOFT-JTQLQIEISA-N 268.386 0.790 0 50 CCAA COC1CN(C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)C1 1857529608 LSBAJBOELVBBRM-SFYZADRCSA-N 265.313 0.903 0 50 CCAA CC(=O)NCCC(=O)NCc1cccn2nccc12 1772806778 DUFXPLNLADIXTJ-UHFFFAOYSA-N 260.297 0.477 0 50 CCAA CN1C[C@@H](NC(=O)c2ccc3c(c2)CCO3)CCC1=O 19840290 JUSCIKIKXSIUNT-LBPRGKRZSA-N 274.320 0.972 0 50 CCAA CNC(=O)c1cccc(C(=O)N2C[C@@H](F)C[C@H]2CO)c1 334479909 STWXQBHMXLHYPW-RYUDHWBXSA-N 280.299 0.591 0 50 CCAA CCc1ncnc(N2CC[C@@](O)(Cn3ccnn3)C2)c1F 671466073 HQMWWHXEVSQJJJ-ZDUSSCGKSA-N 292.318 0.411 0 50 CCAA OCCCn1nnc(-c2cncc(Br)c2)n1 585118452 PKGLDBYOGTXFRU-UHFFFAOYSA-N 284.117 0.880 0 50 CCAA Cc1nnsc1C(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 1262627356 PEQGZVVRYKPNCC-UTINFBMNSA-N 263.322 0.872 0 50 CCAA Cn1cccc1S(=O)(=O)NC(=O)c1cnn2c1CCC2 839066363 DNPHVJQLXGREON-UHFFFAOYSA-N 294.336 0.287 0 50 CCAA CC(C)(O)CCN1CCC[C@H](N2CCNC2=O)C1 370168088 ZQPQDMDROSCXBL-NSHDSACASA-N 255.362 0.637 0 50 CCAA CC(C)c1nc(CCNC(=O)c2cnn[nH]2)no1 584900015 HLJJFABNMFADMB-UHFFFAOYSA-N 250.262 0.284 0 50 CCAA CS(=O)(=O)NCC(=O)Nc1cc2ccccc2cn1 2100483008 MCQNUBWKAZDBPV-UHFFFAOYSA-N 279.321 0.723 0 50 CCAA CSC(C)(C)[C@H](N)C(=O)NCCc1nnc(C)s1 2100483486 XMPCMNBVFVDFBV-SECBINFHSA-N 288.442 0.974 0 50 CCAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@@H]1CS(=O)(=O)C[C@H]1O 582497060 NCENHLKITQQSSC-KKJSVHSVSA-N 287.381 0.087 0 50 CCAA O=C(O)[C@H]1CC(=O)N(Cc2ncn(-c3ccccc3)n2)C1 2325787174 GZMFXOICMKNHRZ-JTQLQIEISA-N 286.291 0.700 0 50 CCAA Cn1cnc(C(=O)N2C[C@@H]3CCCC[C@]3(C(=O)O)C2)n1 910156802 YQRGNCXQPJQUFA-ZANVPECISA-N 278.312 0.532 0 50 CCAA CC1=C(C(N)=O)[C@@H](c2ccc3c(c2)OCO3)N2NC=NC2=N1 71418 NOVZDLXDTXOCMH-GFCCVEGCSA-N 299.290 0.434 0 50 CCAA O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 122602 JUSWZYFYLXTMLJ-SNVBAGLBSA-N 255.295 0.924 0 50 CCAA biogenic,in-vitro Cc1cc(N)c(S(=O)(=O)NCC(=O)O)cc1Cl 392061 LXUCHTVSIGISBB-UHFFFAOYSA-N 278.717 0.594 0 50 CCAA CCn1c(SCC(N)=O)nnc1-c1ccccn1 530469 OLKMYLBBJMQYMX-UHFFFAOYSA-N 263.326 0.937 0 50 CCAA C[C@H](CCc1ccccc1)NC(=O)C(=O)N1CCOCC1 2898785 XOQRDNCZCGWZOR-CYBMUJFWSA-N 290.363 0.983 0 50 CCAA CCOC(=O)CCc1c(C)[nH]c2ncnn2c1=O 100021563 ILMOMEKRIPWEMJ-UHFFFAOYSA-N 250.258 0.222 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2C1C1C=CC=CC=C1 101047825 ACWROOJBXBUYHQ-RYUDHWBXSA-N 269.304 0.929 0 50 CCAA c1ccc(OCCNCCN2CCOCC2)cc1 20293433 GTHWMAOCYRZKQV-UHFFFAOYSA-N 250.342 0.987 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 169024 QSNFIHUMOVLUQU-GHMZBOCLSA-N 267.256 0.574 0 50 CCAA CS(=O)(=O)N1C[C@H](C(N)=O)Oc2ccc(Cl)cc21 33359580 FAXCXDDGASHOKN-SECBINFHSA-N 290.728 0.352 0 50 CCAA C[C@@H]1CNCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 124650353 SMSWXRIHFRINHI-TZOMUSMUSA-N 273.336 0.619 0 50 CCAA CN(C)c1ncc(CN2CCCC[C@H]2CO)cn1 216338730 GVRRANCFYUFVES-LBPRGKRZSA-N 250.346 0.889 0 50 CCAA Cc1ocnc1C(=O)N[C@@H]1CCCc2c1cnn2CCO 363390985 YCUVPLOVFOAGSN-LLVKDONJSA-N 290.323 0.979 0 50 CCAA CC(=O)NC1(C(=O)N2CC[C@@H](N)C2)CCCCC1 132228185 KDHPUYQGQFNQAA-LLVKDONJSA-N 253.346 0.385 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CCc2ccsc2)CCO1 237962161 AORQZZCZDQNUQG-JTQLQIEISA-N 269.322 0.993 0 50 CCAA CC(=O)N1CC(Nc2ccc(CC(=O)O)cc2)=CC1=O 218469396 RUBUBHAQPZXLKB-UHFFFAOYSA-N 274.276 0.998 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2cnccn2)C1 284450768 GMFUDBLXTDFYPP-RYUDHWBXSA-N 276.340 0.693 0 50 CCAA CCNC(=O)N[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1OC 606444326 LOQWWTCFOHYTMC-VXGBXAGGSA-N 294.355 0.482 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(Cl)cn2)C1 284813477 LBPSIRNOMQAGKT-WPRPVWTQSA-N 283.715 0.450 0 50 CCAA OCc1cc2n(n1)CCCN(C[C@@H]1[C@H]3CNC[C@H]31)C2 222642545 GOGZECOAKAJUMH-WDNDVIMCSA-N 262.357 0.047 0 50 CCAA O=C(Cn1nccc1[C@H]1CCCNC1)NC1CCOCC1 426386896 MBAONCJQUWFZOO-LBPRGKRZSA-N 292.383 0.645 0 50 CCAA O=C(O)[C@H]1CN(C(=O)C2(N3CCCC3)CCCC2)CCO1 426477421 PIVVCPRKFKSSIE-GFCCVEGCSA-N 296.367 0.707 0 50 CCAA Cc1n[nH]nc1C(=O)NC[C@H]1CCN(CC(C)C)C1 194306885 OIASIJUZESIQSZ-LLVKDONJSA-N 265.361 0.821 0 50 CCAA CC(C)[C@@H](O)C(=O)NCCc1nncn1C(C)C 220247944 XAOGYMOEKYUJGD-LLVKDONJSA-N 254.334 0.535 0 50 CCAA COc1ccc2c(c1)OC[C@H](CNC(=O)CNC(N)=O)C2 95520660 WPODDBXGELSMEI-VIFPVBQESA-N 293.323 0.031 0 50 CCAA COc1ccc(-c2cn([C@@H](C)c3nnn[nH]3)nn2)cn1 95374908 MGYAZKOCOKQAHT-ZETCQYMHSA-N 272.272 0.471 0 50 CCAA COc1ccc(OC)c(NC(=O)N[C@@H]2CNC[C@H]2O)c1 534667096 TXMRNLAUXNVCMY-GHMZBOCLSA-N 281.312 0.158 0 50 CCAA C[C@H](CNS(=O)(=O)C1CC1)NCc1cccc(CO)c1 534576727 KXERKVJUDUBJAR-LLVKDONJSA-N 298.408 0.739 0 50 CCAA C[C@@H](NC(=O)NCCNS(C)(=O)=O)c1ccsc1 534579680 CCMQCGBUZVMLJY-MRVPVSSYSA-N 291.398 0.658 0 50 CCAA O=C1N[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 299886889 XYDSJAMKIWEAES-FIQHERPVSA-N 268.272 0.477 0 50 CCAA CC(C)c1nccc(CN2CCO[C@@H](C(=O)N(C)C)C2)n1 827789717 HQKDUXTXSGRHPW-CYBMUJFWSA-N 292.383 0.889 0 50 CCAA CN1CCC[C@@H](CCNc2cc(NCCO)nc(N)n2)C1 828767782 MOYXCSFJQUHQGA-NSHDSACASA-N 294.403 0.607 0 50 CCAA CCN1CCN(C(=O)[C@@H](C)n2cc(C)cn2)CC1=O 584884728 LHUSXXYZHIPBEM-LLVKDONJSA-N 264.329 0.443 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)N(C)Cc1ccon1 584899708 MRHSVOBHGBLFDP-STQMWFEESA-N 296.371 0.924 0 50 CCAA COC(C)(C)CCNC(=O)Cn1ccc(=O)cc1 584891004 KWOLXQBLTGTSDH-UHFFFAOYSA-N 252.314 0.780 0 50 CCAA CSCC(=O)N1CCC(CO)(CN(C)C)CC1 670467612 XMMRMYAGKONFTM-UHFFFAOYSA-N 260.403 0.512 0 50 CCAA CCN(CC)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 32611719 GGMCRJCGBGRIKC-SNVBAGLBSA-N 262.375 0.526 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)NCCc1ccc2ncccc2c1 1875401702 PJAZTYLKNNZHNC-GDBMZVCRSA-N 299.374 0.864 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@@H]1CNC(=O)c2ccccc21 1875379463 QXALRDQCLWNUMZ-FZKGZDJFSA-N 287.363 0.748 0 50 CCAA COC(=O)NCCNC(=O)[C@H](C)c1cccc(O)c1 877870627 DGXAWIRCRBMFRO-SECBINFHSA-N 266.297 0.968 0 50 CCAA O=C(CCN1CC[C@@H]2OCc3cnnn3[C@@H]2C1)NC1CC1 1076087602 DOQZJSXCMXLLNZ-OLZOCXBDSA-N 291.355 0.092 0 50 CCAA CNC[C@H]1CCCN1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 133193501 CCEOHBAZAYVOCH-GRYCIOLGSA-N 291.417 0.024 0 50 CCAA CCOC(=O)COc1cc(C(=O)OC)ccc1N 37289903 LSARPDFBROSZLT-UHFFFAOYSA-N 253.254 0.997 0 50 CCAA in-vitro C[C@H](C(=O)NCc1cccc(N)c1)S(C)(=O)=O 167843260 NAAXUPAKYZFSOH-MRVPVSSYSA-N 256.327 0.318 0 50 CCAA CC1CCC(N2CCN(C(=O)C(=O)O)CC2)CC1 170596118 GMIFNLZZICSEOW-UHFFFAOYSA-N 254.330 0.794 0 50 CCAA COC(=O)[C@@H]1CCn2c(nnc2Cn2nc(C)cc2C)C1 601044229 KKINJVUEINLANM-LLVKDONJSA-N 289.339 0.875 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1CC[C@@H](CC(=O)O)C1 560419331 LJRLFTLNUSKQPG-VIFPVBQESA-N 287.341 0.214 0 50 CCAA NCC[C@@H]1CN(C(=O)C[C@@H](O)CN)c2ccccc21 1357989960 CXVJKLJUWHOORM-GHMZBOCLSA-N 263.341 0.175 0 50 CCAA C[C@@H]1CNCCN1C(=O)CCOC1CCOCC1 124339003 JZPUGVINJICQHW-LLVKDONJSA-N 256.346 0.392 0 50 CCAA Nc1nccnc1C(=O)NC1CCC(C(=O)O)CC1 238057884 FUXJZAZYVIFNLD-UHFFFAOYSA-N 264.285 0.432 0 50 CCAA CC(C)OCCN1CCC[C@](O)(Cn2ccnn2)C1 343887105 MFGIOEJOXBGPEU-CYBMUJFWSA-N 268.361 0.530 0 50 CCAA COC(=O)c1ccc(CN(C)C(=O)/C=C/CN(C)C)nc1 1875374438 QMCRRUYDOQYJGB-AATRIKPKSA-N 291.351 0.944 0 50 CCAA Cn1nncc1CNC(=O)[C@H]1NCCOc2ccccc21 1615555612 VEUYPVQJNBCVAA-ZDUSSCGKSA-N 287.323 0.155 0 50 CCAA Cc1cc(C)nc(SCC(=O)N2C[C@H](O)[C@@H](F)C2)n1 1615701076 RGEKUUDVCDSRNP-UWVGGRQHSA-N 285.344 0.727 0 50 CCAA Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1Cc1ccco1 13813540 YMRROMSOYDOJBZ-UHFFFAOYSA-N 299.290 0.626 0 50 CCAA O=C1N[C@H](C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)CO1 1857674185 WKIAYBPIKXKELS-NSHDSACASA-N 290.323 0.323 0 50 CCAA CN1C(=O)CCO[C@H]2CN(c3cncc4nccn34)C[C@@H]21 1857709365 TUSXDMFPMILVHQ-QWRGUYRKSA-N 287.323 0.165 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2cc(OC)ccn2)C1 643814897 BCRNBIZAEOYYNZ-HNNXBMFYSA-N 293.367 0.553 0 50 CCAA CCc1cc(N2CC[C@](O)(Cn3ccnn3)C2)nc(C)n1 671466891 RTSAZXBJGRKMQR-CQSZACIVSA-N 288.355 0.580 0 50 CCAA CNC(=O)CN1CCC(Nc2ccnc(C)n2)CC1 266464479 ZFBPHXKPUGXLJD-UHFFFAOYSA-N 263.345 0.407 0 50 CCAA CC/C=C/CCN1Cc2nnc(C)n2C[C@@H]1C(N)=O 818143190 XUFWBWGATLRDFP-SGUJLRQBSA-N 263.345 0.612 0 50 CCAA CN(C[C@@H](O)CN1CCOCC1)[C@@H]1C=CCCC1 229862489 IIOAIGRWBMVIIN-ZIAGYGMSSA-N 254.374 0.720 0 50 CCAA C1CC1n1nnnc1CN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 329784649 WFMBKRYPCCIVKB-WRWGMCAJSA-N 261.329 0.617 0 50 CCAA CN(C)Cc1ccc(C(=O)NCCc2cnn[nH]2)cc1 426493102 WTADSXRLXGUCPW-UHFFFAOYSA-N 273.340 0.839 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 630254648 BELRAIZLPUWBDC-WTBMIXGQSA-N 253.298 0.735 0 50 CCAA Cn1cc(C(=O)N2CC[C@]3(C(=O)O)CCC[C@@H]23)nn1 711675979 QNQFSRQMDBQZTN-BXKDBHETSA-N 264.285 0.285 0 50 CCAA Cn1ncc(Cl)c1S(=O)(=O)N1C[C@H](O)C(C)(C)C1 388012137 HIUWSGVPWHLCDJ-QMMMGPOBSA-N 293.776 0.465 0 50 CCAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](C(=O)O)N1 1871561 ZWMZDKZTZLGVRQ-MWLCHTKSSA-N 260.249 0.893 0 50 CCAA endogenous,in-man CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 4687333 LSHZIEDSGYWSJW-NXEZZACHSA-N 262.375 0.573 0 50 CCAA CN1[C@H]2CC[C@H]1CC(NCCN1CCOCC1)C2 102464620 AAXMHEUZQQGHBU-KBPBESRZSA-N 253.390 0.533 0 50 CCAA CC1=N[C@]2(CCCc3c2no[n+]3[O-])N(O)C1(C)C 23633893 IRJKPCYJCVDWOF-LLVKDONJSA-N 252.274 0.741 0 50 CCAA O[C@]1(Cn2ccnn2)CCCN(CCc2ccncc2)C1 331669249 NYQGFQXRWPQMSK-OAHLLOKOSA-N 287.367 0.743 0 50 CCAA C[C@H]1CNCCN1C(=O)c1cc(-n2cccn2)ccn1 126246127 AATMLEKDYCJIDE-NSHDSACASA-N 271.324 0.701 0 50 CCAA Cc1cc(C)n(C[C@H]2CN(Cc3cnn(C)n3)CCO2)n1 253393866 DHBPPXHBLRUBEF-CQSZACIVSA-N 290.371 0.529 0 50 CCAA COc1ncnc(OC)c1C(=O)N[C@H]1CCCN=C1O 329190958 SBKWIOQDEGRZKU-ZETCQYMHSA-N 280.284 0.343 0 50 CCAA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1cnc[nH]1 219856876 GXAMVHBNQXJCGS-SNVBAGLBSA-N 276.340 0.931 0 50 CCAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)CO)C2)c1 72122416 YEJXRLVWOQZRHV-NSHDSACASA-N 262.309 0.169 0 50 CCAA CCc1occc1C(=O)N1CC[C@@](O)(c2c[nH]nn2)C1 284486914 BHZOQXPECURNDC-ZDUSSCGKSA-N 276.296 0.694 0 50 CCAA CCC(=O)N1CCN(c2ncnc3c2cnn3C)C1 333414959 HXBHNVPPUFJYOH-UHFFFAOYSA-N 260.301 0.379 0 50 CCAA O=S(=O)(c1cncc(F)c1)N(C1CC1)C1COC1 333755871 YMUJZOWPVHTPLU-UHFFFAOYSA-N 272.301 0.773 0 50 CCAA CCc1nccc(CN(CC)[C@H]2COC[C@@H]2O)n1 215710562 GHSBKCKYFVGUCQ-RYUDHWBXSA-N 251.330 0.621 0 50 CCAA C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1cccnc1 240471668 GDQUEWICGRBEGU-DGCLKSJQSA-N 283.397 0.841 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCc1nc(CSC)no1 222503654 XLBVPYLOLZDVEK-ZCFIWIBFSA-N 288.329 0.293 0 50 CCAA CNC[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 179003149 HMHNXHOTRKWVQC-NSHDSACASA-N 273.340 0.499 0 50 CCAA CCN1C[C@H]2[C@@H](c3cc(C)c(C)o3)NC(CO)(CO)[C@H]2C1 199368383 SWJUCFFIPAUNCH-IPYPFGDCSA-N 294.395 0.832 0 50 CCAA CN1CCN(C)[C@@H](CNc2ncc(Cl)cn2)C1 224410803 AMDVDAFJSSWAJS-JTQLQIEISA-N 255.753 0.788 0 50 CCAA C[C@H](C(=O)N1CCC(c2ncon2)CC1)N(C)C 426526321 WYSJYPDLIFWGBI-SECBINFHSA-N 252.318 0.726 0 50 CCAA Cc1nc(CCNC(=O)NC[C@H]2CC[C@@H](CO)O2)cs1 293019525 PKTKNGDENRDRIY-NEPJUHHUSA-N 299.396 0.833 0 50 CCAA Cc1ccccc1OC[C@@H](O)C(=O)NC1(C(=O)O)CC1 426529208 GDDADBZMOIYDLI-SNVBAGLBSA-N 279.292 0.468 0 50 CCAA Cc1cnc(CNc2nc(C)ncc2S(C)(=O)=O)cn1 95356472 YTBYQRCPMQXRGU-UHFFFAOYSA-N 293.352 0.899 0 50 CCAA CC(C)(C)N1C[C@H](C(=O)NC2(C(=O)O)CCC2)CC1=O 426529192 CJGLBTNQMKXLNZ-SECBINFHSA-N 282.340 0.757 0 50 CCAA CC(C)N1C(=O)N[C@]2(CCN(C[C@H]3CCCO3)C2)C1=O 299754012 JSVLQPIYFUQUCR-RISCZKNCSA-N 281.356 0.570 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2C)CC1 257366113 JWDAVAPNGJKADY-VNQPRFMTSA-N 295.427 0.507 0 50 CCAA O=C(NCCc1nc(Cc2ccccc2)no1)[C@H]1C=CCN1 534590745 RBUGJPAGCMKTJX-CYBMUJFWSA-N 298.346 0.847 0 50 CCAA CN1CCN(CCC(=O)NCc2cccc(CO)c2)CC1 534640205 TYEXPUWPHHPKNT-UHFFFAOYSA-N 291.395 0.433 0 50 CCAA CO[C@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 267774871 PHBOANJZHKEUBS-QMMMGPOBSA-N 293.776 0.791 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)NCCn1cncn1 534656850 KGNDHGNNHGHKBN-UHFFFAOYSA-N 278.316 0.725 0 50 CCAA CO[C@H]1COC[C@@H]1N=c1[nH]c(N(C)C)nc(C)c1C 534632379 ZPBIUJUZSABPQH-QWRGUYRKSA-N 266.345 0.407 0 50 CCAA O=C(NCc1nc(O)c2ccccc2n1)[C@@H]1COCCO1 299797384 NSWQTRSXGHPDKF-NSHDSACASA-N 289.291 0.367 0 50 CCAA C[C@@H](CS(C)(=O)=O)NCC1(Cn2ccnc2)CC1 821381945 QIXCGVZQNYBGLR-NSHDSACASA-N 271.386 0.686 0 50 CCAA CCCc1cnc(NCCc2noc(CO)n2)nc1 823012044 KIYWOOBTMJAPJE-UHFFFAOYSA-N 263.301 0.959 0 50 CCAA C[C@@H](CS(C)(=O)=O)NCCCc1csc(N)n1 821381904 DJDNKFJAZNULFE-QMMMGPOBSA-N 277.415 0.681 0 50 CCAA O=S1(=O)CC[C@H](CCN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)C1 828394690 HCIQBHAWORLYHH-PDWCTOEPSA-N 284.425 0.493 0 50 CCAA CN1CCOC[C@H](Cn2cnc3ccncc3c2=O)C1 584899364 QIQGXOKYYWCATA-NSHDSACASA-N 274.324 0.370 0 50 CCAA O=C(O)C[C@H](NC(=O)[C@@H]1CCOC1)c1nccs1 1875300428 CDNKILRQWORRRK-SFYZADRCSA-N 270.310 0.812 0 50 CCAA O=C([C@@H](O)C1CCOCC1)N1CCc2n[nH]cc2C1 1875261327 SMRDIPVIIGIBRO-LBPRGKRZSA-N 265.313 0.082 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@H]1CC(=O)N[C@H](CC(C)C)C1 1875273157 BWROBTYZJAYTCT-GKUNOOHESA-N 296.367 0.773 0 50 CCAA CS(=O)(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)O)C1 1875272607 SSXCHHIGOXTYKL-KYXWUPHJSA-N 289.353 0.179 0 50 CCAA Cn1nncc1C1(O)CN(C(=O)CCCC2CC2)C1 952884113 YBFZDLUDGGHPQE-UHFFFAOYSA-N 264.329 0.425 0 50 CCAA CCCNC(=O)CNC(=O)C1CCN(C(=O)CC)CC1 952970672 PTQOOFBFZZNSJF-UHFFFAOYSA-N 283.372 0.277 0 50 CCAA c1ncc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)[nH]1 1076070770 KCXZSJAFBBHRRQ-NEPJUHHUSA-N 260.301 0.347 0 50 CCAA CO[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1c1cn(C)nn1 886078281 SQBPCNXZIYROCI-WCQYABFASA-N 276.340 0.866 0 50 CCAA COC[C@H](C)S(=O)(=O)NC(=O)[C@@H]1CCCO[C@@H]1C 791810921 VITLFGGFYOTKMT-IVZWLZJFSA-N 279.358 0.282 0 50 CCAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cn[nH]c1 887023362 FWEQEYQDOYAEND-NXEZZACHSA-N 251.286 0.070 0 50 CCAA Cc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCC2)no1 1565513855 GNEYWEXWQQSCCV-GHYVTOPFSA-N 291.351 0.965 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@H]2CCOC[C@@H]2O)c1C 1565511114 QEFAPHIXGJMTBS-RYUDHWBXSA-N 267.329 0.225 0 50 CCAA N[C@H]1CC[C@@H](C(=O)N2CCC(N3CCC(O)CC3)CC2)C1 1565530981 XBBQBCPCPBEPBF-OLZOCXBDSA-N 295.427 0.562 0 50 CCAA C[C@]1(O)CCN(C(=O)Cc2cccc(O)c2)C[C@H]1O 1565511236 LSVLXWRHQOPFFJ-OCCSQVGLSA-N 265.309 0.279 0 50 CCAA CCC[C@H]1CN(C(=O)c2ccc(O)nn2)C[C@@H]1C(=O)O 1565511811 VQQUXCSNKPXWSM-IUCAKERBSA-N 279.296 0.755 0 50 CCAA CNC(=O)[C@H]1CCCN1C(=O)C[C@@](C)(O)C1CC1 407997119 MRWNCRWVMYYUOA-ZWNOBZJWSA-N 254.330 0.275 0 50 CCAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C1CCNCC1 170046729 SANVZPFOOPDGFW-UTUOFQBUSA-N 252.358 0.916 0 50 CCAA CC(C)n1cc(S(=O)(=O)N2CCn3cnnc3C2)cn1 408234440 FKVITAUWYPXHKO-UHFFFAOYSA-N 296.356 0.260 0 50 CCAA COC(=O)C[C@@]1(NC(=O)c2ccnc(C)n2)CCCOC1 170598015 UOHAYHZAUDXQNK-AWEZNQCLSA-N 293.323 0.627 0 50 CCAA CO[C@@H]1C[C@H](N[C@@H]2CCCS(=O)(=O)C2)C1(C)C 223810279 PUSVLQCDAVTFAM-OUAUKWLOSA-N 261.387 0.967 0 50 CCAA CC[C@H](C)[C@H](NC(=O)c1cccc[n+]1[O-])C(=O)O 170692489 GJKLWDKURQMBEH-WPRPVWTQSA-N 252.270 0.549 0 50 CCAA CO[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)[C@@](C)(CO)C1 634065861 CNKJKUUCPXWEHK-IMSIIYSGSA-N 294.355 0.223 0 50 CCAA CCC1(CC)[C@@H](NC(=O)Cn2nc(C)oc2=O)C[C@H]1OC 639969510 XTLLMKFVNZLWLX-WDEREUQCSA-N 297.355 0.855 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)Cc1ccncc1 644057777 JDNPWLYHAOGDSA-CQSZACIVSA-N 277.324 0.117 0 50 CCAA CCCCCOCC(=O)NC1(CS(C)(=O)=O)COC1 585126046 MLGUDTOEMDOOSI-UHFFFAOYSA-N 293.385 0.123 0 50 CCAA NS(=O)(=O)c1cnc(N[C@H]2CCC[C@H](O)C2)s1 585742081 PEBVEFBQLHYVGQ-BQBZGAKWSA-N 277.371 0.506 0 50 CCAA C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@H]1C(=O)O 648450879 QYJNJKKCCKJZOE-ONGXEEELSA-N 280.280 0.161 0 50 CCAA CCc1nc(C)c(C(=O)NCCc2nc(=O)o[nH]2)s1 562608818 ANABGQMWQMSOPN-UHFFFAOYSA-N 282.325 0.663 0 50 CCAA Cn1cc(NC(=O)N2CCC[C@H]2[C@H]2CCCO2)nn1 569403957 JZLYUAJPVFPUON-VHSXEESVSA-N 265.317 0.990 0 50 CCAA CC(C)Oc1cc(N2CCS(=O)CC2)ncn1 569450634 GFKWLVUXLKJULL-UHFFFAOYSA-N 255.343 0.833 0 50 CCAA CC(C)(C)n1nnc(CNc2ccn(CCO)n2)n1 657400852 LNGLKWPJDPAURD-UHFFFAOYSA-N 265.321 0.229 0 50 CCAA CO[C@@H](C)c1nnc(NC(=O)CCNC(C)=O)s1 1506406792 JHOSVYBWTHYRCD-LURJTMIESA-N 272.330 0.710 0 50 CCAA CC(=O)Nc1nonc1NC(=O)Cc1cccnc1 1506425859 SKJKDTVJALXYOX-UHFFFAOYSA-N 261.241 0.604 0 50 CCAA COCCc1noc(CN(C)C(=O)CCc2cn[nH]c2)n1 1466076463 DFMKPPWZJWKXAS-UHFFFAOYSA-N 293.327 0.573 0 50 CCAA CC1(C)CCN(CCNC(=O)[C@]23CNC[C@H]2CCOC3)C1 1615555658 WCTAKWFGWHHZPH-CJNGLKHVSA-N 295.427 0.461 0 50 CCAA CNc1cccc(S(=O)(=O)Nc2nnn(C)n2)c1 306052619 SYJMRTPCDMOUDM-UHFFFAOYSA-N 268.302 0.053 0 50 CCAA O=C(C[C@H]1CC1(F)F)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772703980 JHVPVSWYGXZLMT-XHNCKOQMSA-N 261.268 0.091 0 50 CCAA O=C(O)[C@H]1COCCN(C(=O)CCCc2cn[nH]c2)C1 1772816073 GTPYTPZYRYRQMA-LLVKDONJSA-N 281.312 0.292 0 50 CCAA COC[C@@H](N)C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 367533960 QBGSJZSHNITDRW-SSDOTTSWSA-N 292.261 0.287 0 50 CCAA Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N1CCCC1 11635338 BHOALHBIJJULSH-UHFFFAOYSA-N 281.337 0.949 0 50 CCAA CCC(=O)Nc1cc(S(=O)(=O)NC)ccc1OC 16577971 FBEGHOHTDRGIAD-UHFFFAOYSA-N 272.326 0.952 0 50 CCAA CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)N[C@H](C)C2)C1 252656473 GMDBUOYORHWFCL-FOGDFJRCSA-N 253.346 0.064 0 50 CCAA CON(C)C(=O)CCN1CCc2nc(N(C)C)sc2C1 1644365563 NSIKYFMRBPWKNO-UHFFFAOYSA-N 298.412 0.977 0 50 CCAA CN(C[C@H](O)C1(O)CCCC1)[C@H]1CC[C@H](O)CC1 930249205 UVFIBRNXCKFMMI-AVGNSLFASA-N 257.374 0.888 0 50 CCAA COC1(c2nccn2C)CN(c2cc(C)nc3ncnn23)C1 1120955907 WCCWXMXGGMESCB-UHFFFAOYSA-N 299.338 0.528 0 50 CCAA O=C(COCc1ccccc1)N1CCC([C@H](O)CO)CC1 1772704643 OHQGNLKGWDXUEM-OAHLLOKOSA-N 293.363 0.795 0 50 CCAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCNCC1 237614475 KALTXERXRLASLS-UHFFFAOYSA-N 296.392 0.834 0 50 CCAA NC(=O)Cc1ccc(NC(=O)C2(C(=O)O)CC2)cc1 262147435 AEUBUEZLISZMEX-UHFFFAOYSA-N 262.265 0.518 0 50 CCAA Cn1cc(C(=O)NCC2(O)CCCC2)ccc1=O 265096883 FQZZCEDVCWVMLA-UHFFFAOYSA-N 250.298 0.420 0 50 CCAA CCOc1ccnc(NCc2nc(C)cc(=O)[nH]2)n1 65398336 MUSGSZZCXZHGHX-UHFFFAOYSA-N 261.285 0.879 0 50 CCAA CC(C)c1nnsc1CN1CCC(O)(CO)CC1 67855881 SGVGTBHZQRFUDO-UHFFFAOYSA-N 271.386 0.981 0 50 CCAA COC[C@@H](O)CN(C)C[C@H]1CCc2nccn2C1 328646905 SWQUEJNGHIFBSY-NEPJUHHUSA-N 253.346 0.385 0 50 CCAA CCc1csc(CNC(=O)C[C@@H]2CNCCO2)n1 534586794 CXZBUMFRARHVKP-SNVBAGLBSA-N 269.370 0.700 0 50 CCAA O=C(CCc1cn[nH]c1)N[C@H]1CCCCNC1=O 629947279 KKHFTNZRYOCTJE-JTQLQIEISA-N 250.302 0.127 0 50 CCAA NC(=O)C1(NC(=O)c2cnc(N)s2)CCCCC1 584892693 ZSGQPZHGKJYGKJ-UHFFFAOYSA-N 268.342 0.643 0 50 CCAA Cc1cc(C(F)(F)F)cc(NCC[C@@H](O)CO)n1 584898223 GUPZHOHBDOSICL-SECBINFHSA-N 264.247 1.564 0 50 CCAA O=C(CN1CC[C@@H](O)[C@@H](CO)C1)NCc1cccs1 396810583 QNTUADOTQQAWEH-ZYHUDNBSSA-N 284.381 0.039 0 50 CCAA Cc1ccc(-n2cc(CNS(=O)(=O)C3CC3)nn2)nc1 899731247 VXZRMJNYHCWYJI-UHFFFAOYSA-N 293.352 0.553 0 50 CCAA NC1CC(Cn2cc(C(=O)Nc3cccnc3O)nn2)C1 2325865502 FTOGBGYIXBRUKE-UHFFFAOYSA-N 288.311 0.368 0 50 CCAA CCCCCNC(=O)CSc1nnc(C)n1CC(N)=O 342905371 STUWROKIWLKPLD-UHFFFAOYSA-N 299.400 0.470 0 50 CCAA CCOc1ccccc1NC(=O)C(=O)NCCO 2944608 BHHVNZXIXAGJIC-UHFFFAOYSA-N 252.270 0.132 0 50 CCAA Cn1nnnc1[C@H]1CN(c2ncc(Cl)cn2)CCO1 2356148133 IVDXSWOABJYJGH-MRVPVSSYSA-N 281.707 0.231 0 50 CCAA CCOC(=O)C(C(=O)OCC)[C@H]1CCS(=O)(=O)C1 3882212 ZRZIZOUPRLJLLK-QMMMGPOBSA-N 278.326 0.164 0 50 CCAA COc1ccc(N)cc1-n1nnnc1-n1cccn1 20120478 YZYJJMAPBLKSKA-UHFFFAOYSA-N 257.257 0.439 0 50 CCAA CO[C@@H](CNC(=O)c1ccc(N(C)C)cc1)C(=O)O 227266086 GNFLBLBRBVKBIE-NSHDSACASA-N 266.297 0.582 0 50 CCAA CN(CCc1cn[nH]c1)CC(=O)Nc1cnccn1 65386819 PCPGRVIDFAJEAX-UHFFFAOYSA-N 260.301 0.313 0 50 CCAA COC(=O)[C@@H]1C[C@@H](N(C)C)CN1C(=O)c1occc1C 65398036 DYOOJWXUAZNSRD-MNOVXSKESA-N 280.324 0.906 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc(C)[nH]n1 67712586 PGANVEARMPDRNV-PWSUYJOCSA-N 293.371 0.128 0 50 CCAA C/C=C(\C)CN1CCC(CNC(=O)Cn2cnnn2)CC1 67856764 HNYUBJZMISWKSP-KGVSQERTSA-N 292.387 0.468 0 50 CCAA CSCCCN1CCO[C@H](c2nncn2C)C1 328635006 NBGRXWSAJKFNFC-JTQLQIEISA-N 256.375 0.942 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)C(=O)c2cccnc2)C1 214992919 CTTNYMRSFOSYJY-LBPRGKRZSA-N 291.351 0.301 0 50 CCAA COc1cc2c(cc1CN1CCN[C@H](C(=O)O)C1)OCO2 71764201 HEYXDQYHLJWNAR-JTQLQIEISA-N 294.307 0.282 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)N1CCOCC1 335713795 LZEQIAAROIAMIT-GFCCVEGCSA-N 283.372 0.675 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C[C@H]2CCOC2)CC1=O 241401126 NBJRRORSGUUIDF-WYUUTHIRSA-N 266.341 0.539 0 50 CCAA Cc1nc(N)sc1C(=O)N[C@H]1C[C@H]2CN(C)CCN2C1 215723171 VBEPWUUMYBEPOV-UWVGGRQHSA-N 295.412 0.152 0 50 CCAA O=C(Cn1ncc2ccccc21)N[C@@H]1CCOC[C@H]1O 219646570 HCQDBBRHEKNUBL-DGCLKSJQSA-N 275.308 0.302 0 50 CCAA Cc1c([C@H]2CN(CCOC(C)C)C[C@@H]2C(N)=O)cnn1C 527572117 IUIODBXEIYWVJF-KGLIPLIRSA-N 294.399 0.654 0 50 CCAA C[C@@H](C(=O)O)n1ccc2c(cnc3ccnn32)c1=O 40163922 CEFYRYDUZVXDGU-ZETCQYMHSA-N 258.237 0.690 0 50 CCAA CCCN1C[C@@H](C(=O)NCCc2cnn[nH]2)CCC1=O 426690508 CZRRTOSIAQXTDZ-JTQLQIEISA-N 279.344 0.112 0 50 CCAA Cc1cnn(CC2CCN(C(=O)Cn3ccnn3)CC2)c1 426556072 WXLIUJSOGXRAAN-UHFFFAOYSA-N 288.355 0.722 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CCCO[C@@H](C)C2)[nH]1 426369465 ZAXDBZMHRHEEJO-JTQLQIEISA-N 250.298 0.934 0 50 CCAA CN(Cc1nccs1)C(=O)CC[C@@H]1NC(=O)NC1=O 80536743 QETGFVNJRZXKFT-ZETCQYMHSA-N 282.325 0.090 0 50 CCAA NC(=O)c1ccc(-c2nccc(N3CC[C@H](O)C3)n2)cc1 97743017 ZXKJRQYCIJVSTE-LBPRGKRZSA-N 284.319 0.814 0 50 CCAA CN1CCC[C@@H](CCC(=O)NCCc2nnc(N)s2)C1 95373146 HGBHNMCHZBQTEJ-JTQLQIEISA-N 297.428 0.901 0 50 CCAA O=c1cc(CN2CCC[C@@]3(CCOC3)C2)[nH]c(=O)[nH]1 95360683 VLHSPEXSTZSJCH-CYBMUJFWSA-N 265.313 0.066 0 50 CCAA O=C(CCCn1ccnc1)N[C@H]1COC[C@@H]1N1CCCC1 244719222 LYXXTCUYONNMMK-KBPBESRZSA-N 292.383 0.643 0 50 CCAA Cc1cc(O)c(Cc2n(CCO)c(C)c(C)[n+]2[O-])c(=O)o1 604405906 SWMILCWIRNGPPY-UHFFFAOYSA-N 294.307 0.289 0 50 CCAA biogenic CSCC[C@H](N)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 299747999 FSWOVPFNAKOOHD-ZNSHCXBVSA-N 285.413 0.192 0 50 CCAA CCCN1C(=O)N[C@@H](CC(=O)NC(C)(C)COC)C1=O 534666204 XEFZVCMAYHTQSA-VIFPVBQESA-N 285.344 0.248 0 50 CCAA O=C(NCCn1cncn1)c1ccc(CN2CCCC2)o1 534661949 SQZQAMYEFGTYOT-UHFFFAOYSA-N 289.339 0.897 0 50 CCAA C[C@@H](CN1CCCC1)C(=O)NCCc1ncc[nH]1 534632929 MKLRIWRSEWEPST-NSHDSACASA-N 250.346 0.800 0 50 CCAA O=C(c1cscn1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 584885688 RFURDTRSXLLLFC-RYUDHWBXSA-N 281.381 0.814 0 50 CCAA Cn1nc(CO)c2c1CCN(C[C@H]1CCCO1)C2 828837225 KSWXDMXWKVUSHO-SNVBAGLBSA-N 251.330 0.450 0 50 CCAA CN(C)C[C@@H](O)CNc1ncccc1-c1ncon1 584888408 FELKGWDEEKTVFA-VIFPVBQESA-N 263.301 0.466 0 50 CCAA CC(C)[C@H](c1ncnn1C)n1cnc2nccnc2c1=O 584894547 PAAXMPSUULELGZ-SNVBAGLBSA-N 285.311 0.560 0 50 CCAA COCCN1CCC(CN(C)C(=O)[C@H]2CC(C)=NO2)CC1 584892297 FWBNBMQRXMMKCS-CQSZACIVSA-N 297.399 0.968 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)NCc1cnn(C)c1C 584900031 MFTWPYWEIWZJAE-SECBINFHSA-N 274.390 0.146 0 50 CCAA CN1CC[C@@H](NC(=O)c2cnc(C3CC3)nc2)C1=O 584897608 UQWAPKCLQIMJGJ-SNVBAGLBSA-N 260.297 0.315 0 50 CCAA CCOCCCC(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1 952883523 MXUWXWHUCYZZKF-NSHDSACASA-N 281.360 0.798 0 50 CCAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ncc[nH]1 1875403732 ZNCONLSLECLCGP-HBNTYKKESA-N 275.312 0.176 0 50 CCAA Cc1ccc(O)c(CN2CCC[C@](O)(c3cnn[nH]3)C2)n1 1775958871 NVQPPUXSPPPWBT-CQSZACIVSA-N 289.339 0.697 0 50 CCAA CNC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(O)c2)CCO1 273139295 TZJYWHJFRBDHIX-LBPRGKRZSA-N 278.308 0.288 0 50 CCAA CC/C=C/CC(=O)N[C@H]1CCOC[C@@H]1OCC(=O)O 1565513363 VSUGDQZDYFVDIM-SEUFLZDSSA-N 271.313 0.718 0 50 CCAA O=S(=O)(c1ncc[nH]1)N(C1CCNCC1)C1CC1 631900860 JTOUTZHSVVIYKX-UHFFFAOYSA-N 270.358 0.315 0 50 CCAA O=C(c1cnn2ccccc12)N1CCN2CCOC[C@H]2C1 408196108 AOUSPFCXORMIHZ-GFCCVEGCSA-N 286.335 0.491 0 50 CCAA C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCN1 188381007 RGLIZEYYYBKMSL-LLVKDONJSA-N 271.324 0.701 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1CC[C@@H](n2cccn2)C1 584992963 URDUUTNDBUJHAW-CYBMUJFWSA-N 297.123 0.188 0 50 CCAA CCc1nc(CN2CCCN(CCOC)C(=O)C2)n[nH]1 190808131 FVXSZADIUNUHNF-UHFFFAOYSA-N 281.360 0.048 0 50 CCAA C[C@H](NC[C@H]1CCC=CO1)[C@@H]1CN(C)CCN1C 685945139 XLWOUDLLYZNVMG-MJBXVCDLSA-N 253.390 0.903 0 50 CCAA C[C@H](CNCc1c(C(F)(F)F)cnn1C)S(C)(=O)=O 657416681 PKLDYOOGKPGSOK-SSDOTTSWSA-N 299.318 0.962 0 50 CCAA COCCN1CC[C@H](CN(C)Cc2cncnc2)C1 1506404995 SYDOSKVAGOAAHA-CYBMUJFWSA-N 264.373 0.877 0 50 CCAA Cc1ncc(C(=O)N2C[C@H]3C[C@@H](O)C[C@H]3C2)c(O)n1 1857686187 LGXGJQINZBKADF-ILWJIGKKSA-N 263.297 0.334 0 50 CCAA CCC[C@H](NCC(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)O 218057446 DUISVLDVEQMUAS-DCAQKATOSA-N 272.345 0.465 0 50 CCAA C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cscn1 120938507 WMBXLLKSOPVXCL-YUMQZZPRSA-N 274.367 0.791 0 50 CCAA NC[C@@H]1CCC[C@H]1NC(=O)c1ncncc1Cl 238044866 LPCMVURUZNWRRP-IONNQARKSA-N 254.721 0.987 0 50 CCAA Cc1noc(=O)n1CC[S@](=O)c1ccccc1 1875391696 UXTYXHNWQCJNRD-KRWDZBQOSA-N 252.295 0.953 0 50 CCAA CCC[C@@H]1COC[C@@H]2CN(C(=O)Cn3cccn3)CCN21 1616076081 YFXQURNASMYDNQ-KGLIPLIRSA-N 292.383 0.595 0 50 CCAA CCOC(=O)N1CCC(N2C[C@@H]3CNC[C@@]3(CO)C2)CC1 1772707055 YVFZNCOTLLGTPG-WFASDCNBSA-N 297.399 0.121 0 50 CCAA C[C@]1(C(=O)N2C[C@H]3[C@H](C2)C3(CO)CO)CCCCO1 1772702299 QVCGSQNOAKQNSA-GMXVVIOVSA-N 269.341 0.005 0 50 CCAA CC(C)(C)OC(=O)N[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169619944 BDISLHPIKVZWDN-HXFLIBJXSA-N 255.270 0.918 0 50 CCAA CN(C)C(=O)NC1CCN(C(=O)C(F)(F)F)CC1 169890099 QKOGKGAHYACKEZ-UHFFFAOYSA-N 267.251 0.811 0 50 CCAA COc1ccc(N2C(=O)N[C@H](CC(=O)O)C2=O)cc1 166982666 FDZAKDNYUHGFFM-SECBINFHSA-N 264.237 0.595 0 50 CCAA Cc1cnccc1CNC(=O)[C@H]1CC[C@@H](N)[C@H](O)C1 1857724113 MKAFXKZETKJTEM-CYZMBNFOSA-N 263.341 0.495 0 50 CCAA COC(=O)C1CCN(C(=O)[C@H]2CCc3ncnn3C2)CC1 1857731180 BOXIDOJJCMLISS-NSHDSACASA-N 292.339 0.252 0 50 CCAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C)c(C)c1 617873044 UEGUTBJXOMRNBS-STQMWFEESA-N 297.376 0.845 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)c2cncc(Cl)c2)C1 643997121 ZPMHYKXCQUTCEG-ZDUSSCGKSA-N 297.742 0.578 0 50 CCAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 238833279 ALUJUYLZWNYHEC-IVZWLZJFSA-N 289.353 0.181 0 50 CCAA in-vitro C[C@H](NC(=O)c1ccco1)C(=O)N1CCN2CCC1CC2 252487952 IFPBZGZDMNUUMD-NSHDSACASA-N 291.351 0.705 0 50 CCAA CC(C)(C)OC(=O)N1CCn2c(nnc2C(=O)O)C1 30678266 QNYYNZMZKGARQD-UHFFFAOYSA-N 268.273 0.727 0 50 CCAA in-vitro C=CC(=O)N(CC)CC(=O)N1CC[C@@](C)(C(=O)OC)C1 901050745 OOCLKNYJKJJQCT-CQSZACIVSA-N 282.340 0.433 0 50 CCAA Cc1ncc(CN2CCCC[C@H]2CS(N)(=O)=O)o1 825281607 KXLRETALTCNXKF-JTQLQIEISA-N 273.358 0.626 0 50 CCAA CNC(=O)NC1CN(C(=O)COc2ccc(F)c(F)c2)C1 935856119 OZCBZYDJRZDHAL-UHFFFAOYSA-N 299.277 0.483 0 50 CCAA C[C@H](O)CN(CCO)CC(=O)Nc1ccc(F)cc1 336810050 GXSPRPZOBSSNKD-JTQLQIEISA-N 270.304 0.439 0 50 CCAA CN(Cc1cc(O)nc(O)n1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100556488 BQNVBBVHEHGAGP-SKWLPYGWSA-N 279.340 0.869 0 50 CCAA Cc1ccc(C)c(S(=O)(=O)N[C@H]2CNCC[C@H]2O)c1 534631793 MNGCCUNUAJHOMN-NWDGAFQWSA-N 284.381 0.305 0 50 CCAA COC[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 31002 GYDSXWAKJDHRJJ-SECBINFHSA-N 286.353 0.958 0 50 CCAA C[C@H](C(=O)NC(N)=S)N1C(=O)c2ccccc2C1=O 177094 LMSIGISLIBASBC-ZCFIWIBFSA-N 277.305 0.031 0 50 CCAA C[C@@H]1[C@@H](NC(=O)COC(=O)[C@@H]2COCCO2)CCC[C@H]1C 225382870 ORDUZGFPWKMNGQ-VOAKCMCISA-N 299.367 0.886 0 50 CCAA COc1cc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)ccc1C 225487978 IKJLBCDNHIGSMF-HNNXBMFYSA-N 292.335 0.456 0 50 CCAA CCCn1ncnc1CSc1nc(N)nc(N)n1 225725963 OSKXADQLIIBIFU-UHFFFAOYSA-N 266.334 0.330 0 50 CCAA CN(C(=O)C[C@@H]1NC(=O)NC1=O)C1Cc2ccccc2C1 56299816 MJRPCVAJNGQIHA-LBPRGKRZSA-N 287.319 0.210 0 50 CCAA O=C(NC(CO)CO)c1cc(COc2ccccc2)[nH]n1 67642177 WKHQKLCPXCPOJR-UHFFFAOYSA-N 291.307 0.072 0 50 CCAA C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)C[C@@H]1C 249710594 YAECBHSINRZLAK-IGQOVBAYSA-N 284.400 0.715 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2ncccn2)C1 331521078 ZCLXGLPDWPIGEP-STQMWFEESA-N 290.367 0.688 0 50 CCAA CCOCCC(=O)N1CCc2c(c(C(=O)O)nn2C)C1 67847425 UOVXZJNCIDXBTP-UHFFFAOYSA-N 281.312 0.430 0 50 CCAA O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@H]1CCCOC1 328622489 IKMNAUDZGXIGLN-WDEREUQCSA-N 264.329 0.783 0 50 CCAA OC1(CN2CCO[C@H](COCC3CC3)C2)CCOCC1 330133543 MABSGHBHSOZEPC-AWEZNQCLSA-N 285.384 0.655 0 50 CCAA O=C([C@@H]1CC[C@@H](O)C1)N1CCC(CN2CCOCC2)CC1 366185442 CAFLFOGWIAGHMP-HUUCEWRRSA-N 296.411 0.718 0 50 CCAA CCN1C[C@H](c2nc(-c3cncn3C)no2)CC1=O 333182836 NDEHIDCIXGDGLR-MRVPVSSYSA-N 261.285 0.806 0 50 CCAA C[C@@H](C(N)=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12 72132030 ORRSXOQHLKBUSR-NSHDSACASA-N 287.363 0.870 0 50 CCAA CCO[C@H](C)c1noc(CN(C)C(=O)[C@H]2C[C@H]2C(=O)O)n1 362535307 STCAQBGTDYYWNT-HRDYMLBCSA-N 297.311 0.846 0 50 CCAA CN(C)C[C@]1(O)CCCN(C(=O)c2ccc[nH]2)C1 72121677 GFZGBVUQHSCWCS-CYBMUJFWSA-N 251.330 0.543 0 50 CCAA CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccnn1C 240444228 FWTUGZSAICHRQA-LLVKDONJSA-N 286.401 0.525 0 50 CCAA CN(Cc1cc2n(n1)CCCNC2)C[C@@H]1COCCO1 72154531 BFPHGCUFXHXYME-CQSZACIVSA-N 280.372 0.224 0 50 CCAA CCO[C@H]1CN(C(=O)c2ccc3nc(C)cn3c2)C[C@@H]1O 223320650 ZCYAEQPHNCKXCN-STQMWFEESA-N 289.335 0.865 0 50 CCAA O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2[nH]nnc2c1 45075592 GHFJMNWLYLUBMN-MRVPVSSYSA-N 294.336 0.122 0 50 CCAA Cc1cc([C@@H]2CCCCN2C(=O)Cn2nnnc2N)no1 222998206 MYALOEFAMVFXKY-JTQLQIEISA-N 291.315 0.306 0 50 CCAA CC(=O)N[C@H]1CCN(C(=O)c2cc(C(C)C)nn2C)C1 82136806 DOZWCZWRPJGSGL-NSHDSACASA-N 278.356 0.894 0 50 CCAA CCc1nccn1CCC(=O)NC[C@@H]1C[C@H](F)CN1 82108212 CZQWTAZUWVDAAT-QWRGUYRKSA-N 268.336 0.652 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cn1cnc(C)c1C 223399652 SRYOPFVAAXFKIM-MXYBEHONSA-N 293.367 0.666 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2CN3CCN2CC3)nn1C(C)C 333559660 NXRSZRRTCBPYML-CYBMUJFWSA-N 291.399 0.502 0 50 CCAA CCc1cc(C(=O)NCCS(=O)(=O)CC)no1 97757870 ODIWIMRTNMEEGG-UHFFFAOYSA-N 260.315 0.402 0 50 CCAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)CCC(=O)O 426507807 AOCKCHAIHXHBGQ-SNVBAGLBSA-N 284.356 0.957 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@@]2(CC(=O)NN2)C1 238855645 SIIAYSUVISXCFX-GFCCVEGCSA-N 255.318 0.781 0 50 CCAA C[C@@H](c1ccon1)N(C)C(=O)CN1CCC(C(N)=O)CC1 91620482 CWPJBJCXAQZUNS-JTQLQIEISA-N 294.355 0.391 0 50 CCAA NC(=O)C1(NC(=O)CCCc2cn[nH]c2)CCCC1 97766462 GLEBZZJOABSASN-UHFFFAOYSA-N 264.329 0.647 0 50 CCAA C[C@@H](O)CNC(=O)NCc1nc(C(F)(F)F)n[nH]1 434335664 VYLPIXMXBZTXRH-SCSAIBSYSA-N 267.211 0.004 0 50 CCAA CCc1ncc(NC(=O)N[C@@]2(CO)CCOC2)cn1 183325147 ZZVKQYFRACOYLA-GFCCVEGCSA-N 266.301 0.312 0 50 CCAA Cc1cccc(NC(=O)N[C@]2(CO)CCOC2)n1 184199835 GVYIGDDJNXAWDJ-LBPRGKRZSA-N 251.286 0.663 0 50 CCAA O=C(O)C[C@H](NC(=O)[C@@H]1COCCO1)c1cccs1 299749381 KDHDXRHEZNNMIA-IUCAKERBSA-N 285.321 0.796 0 50 CCAA CN1CCN(CC2(CN[C@H]3CCOC3)CC2)CC1 534654303 UZZRHINNVVTAOL-ZDUSSCGKSA-N 253.390 0.393 0 50 CCAA COCCc1noc(CNC(=O)c2cscn2)n1 534577707 KPUWYBZBEOYRSE-UHFFFAOYSA-N 268.298 0.645 0 50 CCAA O=C(CN1CCOCC1)NCC1(CN2CCCC2)CC1 534584216 DXYPJCHYKDYDTD-UHFFFAOYSA-N 281.400 0.311 0 50 CCAA Cc1nn(C)c(C(=O)NCCn2ccnn2)c1Cl 534634314 SWWRNKSVLPPYJE-UHFFFAOYSA-N 268.708 0.403 0 50 CCAA CCNC(=O)c1ccc(N2CCN3C(=O)OC[C@@H]3C2)nc1 370565707 NBPCFZHNDMYRLZ-NSHDSACASA-N 290.323 0.472 0 50 CCAA COCCn1cnnc1CCNC(=O)Nc1cnns1 299788653 ZBFQWZJAPFIDHI-UHFFFAOYSA-N 297.344 0.140 0 50 CCAA COCCOCC(=O)NCc1cc(C(C)(C)C)n[nH]1 299787779 ZFPGFYZHULRUAQ-UHFFFAOYSA-N 269.345 0.986 0 50 CCAA NC(=O)Cc1nc(-c2ccccc2N2CCOCC2)n[nH]1 826842404 RBHRAZCETIHESE-UHFFFAOYSA-N 287.323 0.336 0 50 CCAA O=C(N[C@H]1CCS(=O)(=O)C1)c1onc2c1CCCC2 665490810 GLPKGAYFRCGCJJ-QMMMGPOBSA-N 284.337 0.470 0 50 CCAA CC1(C)SC[C@@H](C(=O)N2CCc3nocc3C2)NC1=O 670473583 HGLVTGYFNPRMDG-JTQLQIEISA-N 295.364 0.570 0 50 CCAA C[C@H]1NC(=O)N(CCS(=O)(=O)c2cccc(O)c2)C1=O 585136838 VHIWXMLYWQQJHX-MRVPVSSYSA-N 298.320 0.106 0 50 CCAA Cc1nonc1C(=O)N1CCOC2(CCN(C)CC2)C1 844097763 UYWJVZIDOLYKNQ-UHFFFAOYSA-N 280.328 0.315 0 50 CCAA Oc1cc(CN2CCC(n3ccnc3)CC2)nc(O)n1 1875257595 IHTQUMZMTOORHV-UHFFFAOYSA-N 275.312 0.921 0 50 CCAA COCCn1ncc(C(=O)N2C[C@@H]3CCC[C@@]3(N)C2)c1C 876985563 RQQYCOVCMWGSNT-SWLSCSKDSA-N 292.383 0.791 0 50 CCAA CC[C@H]1C[C@H](C(=O)N2CCCc3n[nH]cc3C2)CC(=O)N1 952892705 PLFBAOWPUAGKEA-JQWIXIFHSA-N 290.367 0.989 0 50 CCAA NC(=O)CN1CCC[C@@H](c2ncc(Br)cn2)C1 952881838 HNPFUKQVQPWPJV-MRVPVSSYSA-N 299.172 0.904 0 50 CCAA O=C(c1occc1Br)N1C[C@H](O)[C@H](O)CO1 1875369721 CPFMCDNPGZGSJS-NKWVEPMBSA-N 292.085 0.151 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](O)C2)CC1 1875365725 SRUQBTPMSLTSCO-LBPRGKRZSA-N 266.341 0.394 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCCC(=O)OC(C)C)CC1 1875369500 RUCDXEBXPGKQGG-UHFFFAOYSA-N 296.367 0.869 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)NCCc1nnc(N)s1 952870170 WGPHGESBJSOXSN-QMMMGPOBSA-N 280.357 0.312 0 50 CCAA CN(C(=O)NC[C@H]1CCCO1)C1(CCO)CCOCC1 170089922 ICHSUUXVJNTISH-GFCCVEGCSA-N 286.372 0.738 0 50 CCAA CCNc1nc(C)cc(N2CCN(C(C)=O)CC2)n1 72436834 NLMDOMRPUXCLTD-UHFFFAOYSA-N 263.345 0.885 0 50 CCAA Cc1nc2n(n1)C[C@H](NC(=O)Cc1cncs1)CC2 188497467 MZSWJHBAKYGQCY-SECBINFHSA-N 277.353 0.717 0 50 CCAA CN1C(=O)C[C@@H](NC(=O)c2cc[nH]n2)[C@@H]1c1cccnc1 583621029 MSUZJYQXOYJQHJ-YPMHNXCESA-N 285.307 0.507 0 50 CCAA O=C(N=c1cc(C2CC2)[nH][nH]1)c1ccc2c(c1)COB2O 584998771 AJPMEHUEGPMRBK-UHFFFAOYSA-N 283.096 0.179 0 50 CCAA CCS(=O)(=O)NCCNC(=O)[C@]1(C)C[C@]1(F)Cl 585088738 OVRDXZDEQUKAMR-DTWKUNHWSA-N 286.756 0.357 0 50 CCAA CN(CC(=O)N1CCCC1)C[C@H]1CCCN(CCO)C1 1529161565 LHAKKCPRUDXYGZ-CQSZACIVSA-N 283.416 0.245 0 50 CCAA COCCCn1cnnc1CN=c1cc[nH]cc1F 1529099426 XFXJXPXEMMMYAL-UHFFFAOYSA-N 265.292 0.883 0 50 CCAA CCn1ccc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 1529144286 VZYJYTFYVDONQO-IUODEOHRSA-N 289.383 0.970 0 50 CCAA COCC(=O)N1C[C@@H](Cc2cc(C)no2)[C@@H](OC)C1 1529138938 KSUGOTOVVQQILL-PWSUYJOCSA-N 268.313 0.645 0 50 CCAA CN(C)C(=O)CN1CCCN(CC[C@H]2CCOC2)CC1 1460779010 DNPLFNJSPZKUMF-AWEZNQCLSA-N 283.416 0.509 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2cnn3c2CCCC3)C[C@@H]1O 216967786 PUCZUZAIWMNRRS-ZFWWWQNUSA-N 293.367 0.567 0 50 CCAA Cc1nc2c([nH]1)CN(C[C@H](O)C1CCNCC1)CC2 1857670478 PEMZTGNYWCOGKN-AWEZNQCLSA-N 264.373 0.437 0 50 CCAA Cc1ncc(S(=O)(=O)N2C[C@H](N)C3(CCC3)C2)n1C 1615058791 QYSSAKMZBQGZFO-JTQLQIEISA-N 284.385 0.230 0 50 CCAA CN1C[C@H](NC(=O)CCc2cncs2)CCC1=O 550969284 UVPOVQCRJZYRSC-SECBINFHSA-N 267.354 0.813 0 50 CCAA CCN(CCCCO)C(=O)c1nc[nH]c1C(=O)O 215666163 WXDUWZBSZKOICS-UHFFFAOYSA-N 255.274 0.343 0 50 CCAA CC(C)n1cnnc1CN1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772710815 SIOPOTVGUXVNAW-RISCZKNCSA-N 294.355 0.782 0 50 CCAA CC[C@H](C(N)=O)N(c1ccccc1)S(C)(=O)=O 13710915 UEWLGYIYKRFGLG-SNVBAGLBSA-N 256.327 0.717 0 50 CCAA CCN1CC[C@H](N(C)C(=O)CNC[C@@H]2CCCO2)[C@@H](C)C1 236905272 WIXHQCFPSGMOEN-KKUMJFAQSA-N 297.443 0.944 0 50 CCAA NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1731770 JIMLDJNLXLMGLX-JTQLQIEISA-N 280.280 0.632 0 50 CCAA in-vitro Cc1cc(S(=O)(=O)NC[C@](C)(O)C(=O)O)sc1C 263497381 RLNSBOOQDCHBII-JTQLQIEISA-N 293.366 0.479 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CCNC(=O)C[C@H]2C)n1 824708079 ORNHWGJQYOYPPC-SECBINFHSA-N 294.359 0.026 0 50 CCAA CC[C@@H](O)CN1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 222103666 PAPKRQQBMRRNGU-QWHCGFSZSA-N 292.445 0.797 0 50 CCAA O=C(CN1CCO[C@H](c2nccs2)C1)N1CCOCC1 225527925 NQFYDYMEQQWQSP-NSHDSACASA-N 297.380 0.375 0 50 CCAA COc1cccc(CC(=O)NC[C@]2(O)CCO[C@H]2C)c1 228707582 YDALLSFVUUHOEI-XHDPSFHLSA-N 279.336 0.894 0 50 CCAA C1C[C@@H](N2CCN(c3nc(C4CC4)ns3)CC2)CN1 261639109 WVXFDIJMJRIVFK-LLVKDONJSA-N 279.413 0.899 0 50 CCAA Cc1nnsc1C(=O)N(C1CC1)[C@H](C)C(=O)O 262490930 GDYTYGBOYHNWGC-ZCFIWIBFSA-N 255.299 0.924 0 50 CCAA CCc1nc(C(=O)NCC2(COC)CCNCC2)co1 423656761 USZGZNSGHLWBKJ-UHFFFAOYSA-N 281.356 0.983 0 50 CCAA CCc1nc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)c(C)o1 336558028 JDIWUWYMBBHFQU-IONNQARKSA-N 265.313 0.942 0 50 CCAA CC(C)(C)n1nnc(CN2CC(n3cccn3)C2)n1 653553542 URBDCYGCQZZWOV-UHFFFAOYSA-N 261.333 0.682 0 50 CCAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1cccnc1 864274948 SODPVURRXVXJHS-LBPRGKRZSA-N 278.308 0.939 0 50 CCAA O=S(=O)(c1ccc2nsnc2c1)N1CCOCC1 302937 YAUZBTIYJYBTBR-UHFFFAOYSA-N 285.350 0.712 0 50 CCAA CN1CC[C@H](O)[C@@]2(CCCN(c3ncc(F)c(=N)[nH]3)C2)C1 2356158361 ZACYJCJXNFXQDW-FZMZJTMJSA-N 295.362 0.311 0 50 CCAA Cn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(N)cc21 9879844 SCUIVIUTZRMWMF-UHFFFAOYSA-N 274.324 0.420 0 50 CCAA COC(=O)c1cc2n(n1)CCN(Cc1csnn1)C2 65399324 DTHRFHGLGXZYFK-UHFFFAOYSA-N 279.325 0.537 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 249508622 LHXSCUPKHILKJC-KKZNHRDASA-N 261.343 0.105 0 50 CCAA O=C1CC[C@@H](Nc2nc(C(F)(F)F)ns2)C(=O)N1 228781278 KNDNXLQDCCPEHO-GSVOUGTGSA-N 280.231 0.774 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CCCO2)CCN1C(=O)[C@H]1CCCO1 174993203 UEBBWVYZXXJFEZ-JHJVBQTASA-N 296.367 0.404 0 50 CCAA O=C(NS(=O)(=O)c1cncc(Cl)c1)c1cocn1 119474945 ZZLKNYHTEKIFMX-UHFFFAOYSA-N 287.684 0.842 0 50 CCAA COC(=O)[C@H](C)N(C(=O)CCn1cncn1)C1CCC1 252478629 AQRRGUKZTYTZPV-JTQLQIEISA-N 280.328 0.611 0 50 CCAA COC1(C(=O)NC[C@H](O)c2ccccc2F)CCNCC1 151453660 YWFWITMUUQVVLG-ZDUSSCGKSA-N 296.342 0.744 0 50 CCAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)[C@@H]1CCOC1 328637525 WACUBSZIOOJBRV-VXGBXAGGSA-N 263.341 0.940 0 50 CCAA CCCO[C@H]1CCCN(C(=O)Cc2nnn[nH]2)C1 67771870 GFJREERAHFIZHP-VIFPVBQESA-N 253.306 0.160 0 50 CCAA CCC[C@@H](CC)S(=O)(=O)CCCS(N)(=O)=O 359174888 XESHDIPBFZFONN-SECBINFHSA-N 271.404 0.659 0 50 CCAA C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC1C[C@@H]2C[C@H]2C1 333466374 MWCJUKHBQHSCSQ-GCWIYAPXSA-N 266.341 0.177 0 50 CCAA CCCOCC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 154081086 QOIDPINZLPVGEL-GFCCVEGCSA-N 280.372 0.932 0 50 CCAA CN1CCC([C@H]2CCN(S(=O)(=O)N3CCC3)C2)CC1 367553827 QJDFTIYZGBUPIZ-ZDUSSCGKSA-N 287.429 0.601 0 50 CCAA OCCOc1cncc(N2CCC[C@H](c3ncc[nH]3)C2)n1 368721101 DNDDBGQLSXVJRV-NSHDSACASA-N 289.339 0.955 0 50 CCAA CC(=O)NCC(=O)N1CC[C@@H](C2CCOCC2)C1 378285136 PWGKIBYSGCZRLC-GFCCVEGCSA-N 254.330 0.398 0 50 CCAA CC(=O)N1CC(C(=O)N2CCN[C@H](c3cccnc3)C2)C1 374387661 JPFXDGUBLSGDSX-AWEZNQCLSA-N 288.351 0.033 0 50 CCAA Cc1c(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)nnn1C 262406787 OVZOIESREZZXDX-AXFHLTTASA-N 292.339 0.981 0 50 CCAA CCCn1cc(C(=O)N2CCOC[C@@H]2C(=O)O)cn1 262798061 RANWVSDZGIHNJF-SNVBAGLBSA-N 267.285 0.219 0 50 CCAA CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccnn1C 240444229 FWTUGZSAICHRQA-NSHDSACASA-N 286.401 0.525 0 50 CCAA Cc1nc(C)c(C(=O)Nc2cnn(CC(=O)O)c2)o1 159333229 UOMRSFZKFAMHRM-UHFFFAOYSA-N 264.241 0.825 0 50 CCAA COC[C@H]1CN(C(=O)c2ccnn2C)CC(C)(C)O1 284924233 CTWWJDLZRVURAQ-SNVBAGLBSA-N 267.329 0.686 0 50 CCAA O=S1(=O)CC[C@H]2CN(CCO[C@@H]3CCCCO3)C[C@H]21 242048162 VTJGENOVBSDYDJ-YNEHKIRRSA-N 289.397 0.649 0 50 CCAA O=C(CC(=O)N1CCOCC1)NC1CCCCC1 242836025 FTFAVEGRIUIBRL-UHFFFAOYSA-N 254.330 0.684 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N1CCCC[C@@H]1CC(=O)O 426415710 ZNWURFZNGHNKOU-SECBINFHSA-N 281.312 0.822 0 50 CCAA C[C@@H](N)C(=O)NCc1nncn1CCc1ccccc1 220404130 HAUCOJFYAVXLMO-LLVKDONJSA-N 273.340 0.484 0 50 CCAA CC(C)O[C@H]1CN(C(=O)NCCCn2cccn2)C[C@@H]1O 426503591 RRZWLKKDSMZMDM-STQMWFEESA-N 296.371 0.453 0 50 CCAA COCC[C@H]1CN(C(=O)c2c(C)[nH]c(C)cc2=O)CCO1 426641330 GAXICXOWBOMELA-LBPRGKRZSA-N 294.351 0.869 0 50 CCAA COc1ccc2cc(C(=O)N[C@H]3COC[C@@H]3O)n(C)c2c1 426597190 HNWGUIWPCGKCEP-FZMZJTMJSA-N 290.319 0.676 0 50 CCAA COc1ncccc1Cn1ncc(N(C)C)cc1=O 95375140 XGECYTIFJMHXRG-UHFFFAOYSA-N 260.297 0.761 0 50 CCAA CCn1nccc1S(=O)(=O)NC[C@H](C)n1cc(C)cn1 534590886 QMOJIHVLEYLIJW-NSHDSACASA-N 297.384 0.947 0 50 CCAA CN1C(=O)C[C@@](CC(=O)O)(c2cccc(F)c2)C1=O 299795327 OHUMZUUTRYQLRK-CYBMUJFWSA-N 265.240 0.927 0 50 CCAA Cc1cnccc1C(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299781740 MGHGZKNYDXOVSR-UONOGXRCSA-N 299.334 0.968 0 50 CCAA NC(=O)CCN1CCN(c2ccncc2F)CC1 826835040 GWWMPAPKWORJFE-UHFFFAOYSA-N 252.293 0.218 0 50 CCAA Cc1c(CN(C)Cc2cc(O)nc(O)n2)cnn1C 670456501 JSWFWFAVUZYDKT-UHFFFAOYSA-N 263.301 0.562 0 50 CCAA CC1(NC(=O)CCCn2cncn2)CCNCC1 584902468 IEUUJLKGPAVRCK-UHFFFAOYSA-N 251.334 0.317 0 50 CCAA CN1C[C@@H](CNC2CSCCSC2)OCC1=O 670469531 LIYNTOMERYNYNK-SNVBAGLBSA-N 276.427 0.282 0 50 CCAA Cc1nnsc1C(=O)NCCSc1nc[nH]n1 670465982 IOUYHFGDIJLNPC-UHFFFAOYSA-N 270.343 0.487 0 50 CCAA O=C([C@H]1CCCN1[C@@H]1CCS(=O)(=O)C1)N1CCCC1 1875254883 QBDBESFVGXQWOL-VXGBXAGGSA-N 286.397 0.260 0 50 CCAA O=C1C[C@H]2CCCCN2C(=O)[C@@H]([C@H]2CCCO2)N1 1875311148 OPVSNUQPVPKFET-CKYFFXLPSA-N 252.314 0.435 0 50 CCAA Cn1ccnc1C(=O)N1CCC(CN2CCCC2=O)CC1 952971365 IVNZAJGMIINRFQ-UHFFFAOYSA-N 290.367 0.895 0 50 CCAA Cc1nnsc1CN(C)CCCS(=O)(=O)N(C)C 244719110 LXFOWUMKVZLVNO-UHFFFAOYSA-N 292.430 0.560 0 50 CCAA Cc1cccc(C(=O)NCCc2nnc(S)n2C)c1N 1775994858 KYKAJVWNQIJPLY-UHFFFAOYSA-N 291.380 0.967 0 50 CCAA C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)CC(N)=O 408056699 KOWGRXKTSDOCKK-GYSYKLTISA-N 268.357 0.794 0 50 CCAA O=C(NNc1ccc(F)c(F)c1F)[C@@H]1COCCO1 170621147 SFSMINRXMGBAED-QMMMGPOBSA-N 276.214 0.962 0 50 CCAA O=C(O)[C@@H]1CC=C[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 714147931 MHQMHPLMZKJCMI-APLZJWDSSA-N 251.282 0.414 0 50 CCAA Cn1cncc1CCNC(=O)c1cc(O)nc(C2CC2)n1 571534148 FWLRBLWGFXUDFA-UHFFFAOYSA-N 287.323 0.766 0 50 CCAA Cc1nccc(N2CC[C@H](n3cc(C(=O)O)nn3)C2)n1 573476407 FQLGPZXHSYPNPZ-VIFPVBQESA-N 274.284 0.526 0 50 CCAA O=C(CCc1ncccn1)N1CCOCC(F)(F)C1 576560945 JCBNCOJJUWYCFA-UHFFFAOYSA-N 271.267 0.903 0 50 CCAA CCOC(=O)[C@@H]1CC[C@H](C)N(S(C)(=O)=O)[C@@H]1C 583652054 XSKBUBLBXXGMLG-IVZWLZJFSA-N 263.359 0.998 0 50 CCAA COCCN1CCC(CN(C)C(=O)c2[nH]nnc2C)CC1 1506401496 SERUGDCGGRBGIX-UHFFFAOYSA-N 295.387 0.544 0 50 CCAA CN(C)C(=O)NCC(=O)N1CCC[C@@]2(CCC[C@H]2O)C1 1704326553 GTEPZRCXGCFJSQ-RISCZKNCSA-N 283.372 0.411 0 50 CCAA Cc1c(Cl)c(C(=O)N[C@]2(CCO)CCOC2)nn1C 622560355 CAWXPBCFKWKPPO-GFCCVEGCSA-N 287.747 0.653 0 50 CCAA C[C@]1(C(=O)NCCS(N)(=O)=O)C[C@H]2CC[C@H]1C2 629948709 HCXVSAFBZJRKAL-QXEWZRGKSA-N 260.359 0.217 0 50 CCAA Cc1oc(CNC(=O)c2cncn2C)cc1C(=O)O 235971434 LXCNYZNSXPASEV-UHFFFAOYSA-N 263.253 0.950 0 50 CCAA CCN1C[C@H](NC(=O)c2cc3n(n2)CCC3)CC1=O 333583965 BDDVFUKHZJOZNW-SECBINFHSA-N 262.313 0.180 0 50 CCAA C[C@@H]1CCN(C(=O)N2CCN3C(=O)NC[C@H]3C2)C1 334475998 MVHXLZCORGOAAU-ZJUUUORDSA-N 252.318 0.158 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C[C@H](O)CS2(=O)=O)C1 238730555 ZKCKSGZYCIBCKJ-QMMMGPOBSA-N 277.342 0.155 0 50 CCAA in-vitro COC(=O)/C=C/CNC(=O)[C@H]1CCn2nccc2C1 1875333183 HAGIXUBAPASLAJ-PBKGFPTLSA-N 263.297 0.291 0 50 CCAA Cc1cc(C(=O)NCCn2cnc(C)c2C)cc(=O)[nH]1 216285062 ISIQTAFZQJRGCS-UHFFFAOYSA-N 274.324 0.927 0 50 CCAA Cc1ncc(Cl)c(N2CCC(O)(CO)CC2)n1 1772710933 UFUWPMJORLBFNJ-UHFFFAOYSA-N 257.721 0.762 0 50 CCAA CCC[C@H](CC)NC(=O)c1cnc(C(N)=O)cn1 1772704848 QBRSAXQFDXDGOL-QMMMGPOBSA-N 250.302 0.884 0 50 CCAA O=C(c1cnc2ccccc2n1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772816138 KHTLJCJLRZSKSF-PHIMTYICSA-N 299.330 0.303 0 50 CCAA CC(=O)N1CCC(N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)CC1 1857705844 YEGWIETYXBZIGV-GLQYFDAESA-N 281.400 0.449 0 50 CCAA O=C(O)[C@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)CCO1 111185496 MYMQWXWHMNPNKO-DGCLKSJQSA-N 291.303 0.865 0 50 CCAA COc1ccccc1OCCN(C)C(=O)[C@H]1C[C@H](O)CN1 237145666 KLIQXTSNWAZXGR-NWDGAFQWSA-N 294.351 0.255 0 50 CCAA Cc1cnc(C(=O)N[C@@H](C)CN2CCN(C)CC2)cn1 264417103 JESHZGHDOOXPDE-LBPRGKRZSA-N 277.372 0.151 0 50 CCAA O=C(CN1CCC[C@H](F)C1)NCC(=O)N1CCCC1 903002265 ZLDLNHRDUNJTCG-NSHDSACASA-N 271.336 0.159 0 50 CCAA NC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)cc1 925058841 YZXISFWROYHBCH-XDTLVQLUSA-N 274.320 0.771 0 50 CCAA CC[C@H](C(=O)O)N1C[C@H](C)[C@H](N2CCOCC2)C1 191438631 JVRCECLMTZFIBS-QJPTWQEYSA-N 256.346 0.502 0 50 CCAA Cn1nnc(CN2CC[C@H](CN3CCCC3)C2)n1 194437975 ADNJSJPLXLHJPL-LLVKDONJSA-N 250.350 0.128 0 50 CCAA NC(=O)[C@]1(O)CCCN(CCOc2ccccc2F)C1 312648871 KOXNKPRSHINPPR-AWEZNQCLSA-N 282.315 0.517 0 50 CCAA O=C([C@@H]1CCC2(CCOCC2)NC1)N1CCN[C@H]2C[C@@H]21 2325827581 KOMLKZGBSCAFMQ-AGIUHOORSA-N 279.384 0.108 0 50 CCAA CCOc1ncccc1C(=O)N1C[C@H]2COC[C@@]2(CO)C1 2356149288 SROOYTHGBIZQFM-NHYWBVRUSA-N 292.335 0.561 0 50 CCAA Cc1cc(Oc2ccc(=O)n(C)n2)nc(S)n1 2830851 WCADGKSZAWQDRA-UHFFFAOYSA-N 250.283 0.960 0 50 CCAA CN(C)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 6697105 YXBRKZYGAJQYIZ-UHFFFAOYSA-N 263.340 0.340 0 50 CCAA COc1nnc(NC(=O)N2CCC[C@@H](C(N)=O)C2)s1 225479830 NJEVYKQMBGZHDO-ZCFIWIBFSA-N 285.329 0.276 0 50 CCAA O=C(CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)NC1CC1 227219774 UDNDSSWLRFWZMA-USWWRNFRSA-N 266.341 0.983 0 50 CCAA COc1ccccc1CN1C(=O)N[C@H](CCC(=O)O)C1=O 170622859 VGVOOQMTLKOSFW-SNVBAGLBSA-N 292.291 0.980 0 50 CCAA O=C(Nc1cnc2n1CCCC2)c1c[nH]c(=O)cc1O 67934408 FKICEQWBTQYZJJ-UHFFFAOYSA-N 274.280 0.866 0 50 CCAA CN(CCc1nc(C2CC2)n[nH]1)[C@H]1CCS(=O)(=O)C1 67772386 KRJAPDYHVACAGL-JTQLQIEISA-N 284.385 0.344 0 50 CCAA CCOc1ccccc1C(=O)N1C[C@@H](N)C[C@H]1C(=O)NC 67434137 QUWLIHPSHCUXLV-JQWIXIFHSA-N 291.351 0.373 0 50 CCAA CN(CCN(C)C1CCCC1)C(=O)c1nc[nH]n1 67817117 PSGXUNMPJQYXCC-UHFFFAOYSA-N 251.334 0.751 0 50 CCAA CC(=O)c1cn(-c2cccnc2Cl)c(=O)[nH]c1=O 168694 MIISKJZDVVSZQX-UHFFFAOYSA-N 265.656 0.777 0 50 CCAA Cn1cc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)cn1 328635172 UPYHHSUZHVXEMN-JTQLQIEISA-N 295.368 0.158 0 50 CCAA CN(CC1(CO)CC1)C(=O)C[C@@H]1CCCCNC1=O 366871326 RJRHAVSJDGMYLJ-NSHDSACASA-N 268.357 0.524 0 50 CCAA Cn1nnnc1SCCn1ccnc1-c1c[nH]cn1 71774747 RWJIBSHGAHJWKZ-UHFFFAOYSA-N 276.329 0.589 0 50 CCAA CN1CCN(CCn2cnc3ccncc3c2=O)CC1 32519378 JCAOGPYJRWWQAU-UHFFFAOYSA-N 273.340 0.039 0 50 CCAA Cc1n[nH]cc1CNC(=O)[C@@H]1CC(=O)N(c2ccccn2)C1 370469702 CNXBULIUJJIPPH-LLVKDONJSA-N 299.334 0.782 0 50 CCAA Cc1ccc2ncnc(N3C[C@H]4C(=O)NC(=O)[C@H]4C3)c2c1 333747392 XANCKONGUMNIPZ-PHIMTYICSA-N 282.303 0.647 0 50 CCAA Cc1cc(CN2CCN(C(C)C)[C@H](CCO)C2)[nH]n1 39455179 XXCOHFAVFDAFDF-CQSZACIVSA-N 266.389 0.995 0 50 CCAA Cc1noc(CN2CCN(C(=O)[C@@H]3CC[C@@H](N)C3)CC2)n1 237689087 NRSYMXGGPDSQGD-VXGBXAGGSA-N 293.371 0.150 0 50 CCAA COc1ncnc(OC)c1C(=O)N1CCC(C(=O)O)CC1 263070199 JLWNBVMWOURHMK-UHFFFAOYSA-N 295.295 0.431 0 50 CCAA O=c1cnn(Cc2cc(Cl)ccc2F)c(=O)[nH]1 71772391 QZNKJPOXGJCVEC-UHFFFAOYSA-N 255.636 0.772 0 50 CCAA CN(Cc1noc2c1CCCC2)C(=O)[C@@H]1CNCCO1 72164684 WNHPITSYGKRTOK-ZDUSSCGKSA-N 279.340 0.500 0 50 CCAA O=C(c1ccc(F)cc1O)N1CCC[C@@](O)(CO)CC1 216543357 UVJGUQOLYRLJNA-AWEZNQCLSA-N 283.299 0.881 0 50 CCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cnn2c1CCCC2 72126418 BGFIBKALVTVWCM-VIFPVBQESA-N 281.337 0.260 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1Cc1cnc(N(C)C)nc1 284534871 KGNBOYGKLSBBMW-STQMWFEESA-N 280.372 0.778 0 50 CCAA CC(C)c1noc(CNC(=O)N2CCC[C@H](O)C2)n1 426668238 FJRSDMGVHPPVBX-VIFPVBQESA-N 268.317 0.859 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)N1CCCNC(=O)C1 426668283 IIUYBDFDDCVNRS-UHFFFAOYSA-N 279.344 0.101 0 50 CCAA Cc1cccc2nc(COCC(=O)N[C@H](C)C(=O)O)[nH]c12 426734139 QJDSSAPLMHGOHN-SECBINFHSA-N 291.307 0.977 0 50 CCAA O=C(NCCc1cscn1)[C@@H]1CC(=O)N(C2CC2)C1 91270451 YDVASSVQEUUQHF-SECBINFHSA-N 279.365 0.813 0 50 CCAA CCc1cc(N[C@@H]2CC(=O)N(CCOC)C2)ncn1 95378099 QKZOSZCPKKVUSV-LLVKDONJSA-N 264.329 0.698 0 50 CCAA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CC[C@H](C(=O)O)C1 299741386 FMQVTVJIMDQPIB-SRVKXCTJSA-N 285.340 0.894 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@@]13CC=CC[C@]53[C@H]42 248048755 QHLGHZYVJAXKCF-UMBFPEEISA-N 269.304 0.286 0 50 CCAA C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CC(=O)N1 296001183 KQPXCPMGTZTLKW-QMMMGPOBSA-N 294.336 0.072 0 50 CCAA O=C(O)[C@H]1CCCN(C(=O)COC[C@H]2CCCO2)C1 299743473 NQIDQJLHMNPMDZ-WDEREUQCSA-N 271.313 0.505 0 50 CCAA Cc1noc(C)c1[C@H](C)C(=O)N1CCOC[C@H]1C(=O)O 299752991 WIYUDGWEZFXJFP-XVKPBYJWSA-N 282.296 0.707 0 50 CCAA Cc1noc([C@@H](C)NC(=O)N(C)CCN(C)C)n1 356114562 SGRCCEIYIZXLJG-MRVPVSSYSA-N 255.322 0.642 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCC(N3CCC(O)CC3)CC2)C1 534675318 XBBQBCPCPBEPBF-QWHCGFSZSA-N 295.427 0.562 0 50 CCAA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2cnn(C)c2)C1 276503997 POQRSMSXAMINPI-CQSZACIVSA-N 292.383 0.603 0 50 CCAA CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1cc[nH]n1 299777325 PUKFZWUBSHCXLJ-LLVKDONJSA-N 293.371 0.082 0 50 CCAA O=C(NC1(C(=O)O)CCOCC1)c1cn2cccnc2n1 299801393 XVEISQPOWRMBRZ-UHFFFAOYSA-N 290.279 0.093 0 50 CCAA CCN1C[C@@H](CN(C)C(=O)c2ccc(O)cn2)CC1=O 299777815 OFZTZAMGDWRXPK-SNVBAGLBSA-N 277.324 0.728 0 50 CCAA CCS(=O)(=O)NC[C@H](C)NCC1(COC)CCC1 824346827 GDBUAGFLCXVAPE-NSHDSACASA-N 278.418 0.721 0 50 CCAA CSC[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 584900637 HQYFZHYOBPSBQX-VIFPVBQESA-N 285.369 0.140 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@H](C)c2ncnn2C)c1C 584888904 XIQXEZUAQPGKCL-SNVBAGLBSA-N 276.344 0.965 0 50 CCAA Cc1nn(CCO)c(C)c1CN(C)CC1(C)COC1 670448369 IJJQTDAFGGMSJR-UHFFFAOYSA-N 267.373 0.961 0 50 CCAA CS(=O)(=O)CCN1CCCN(C(=O)C2CCC2)CC1 670458289 NAMBLVFYWHQFGY-UHFFFAOYSA-N 288.413 0.365 0 50 CCAA C[C@H](NCc1cn(C)nc1-c1cnn(C)c1)C(=O)N(C)C 1875284915 VJIDQLPKCMRBQT-JTQLQIEISA-N 290.371 0.387 0 50 CCAA Cc1cc2n(n1)CCN(C[C@@H]1CCNC(=O)CC1)C2 1875281499 DLXMMDCESSPBTO-LBPRGKRZSA-N 262.357 0.923 0 50 CCAA C=CS(=O)(=O)CCC(=O)Nc1c(C)ccn2ncnc12 952880323 NOQFSPGFRRPZKQ-UHFFFAOYSA-N 294.336 0.925 0 50 CCAA O=C(O)[C@H](Cc1nccc(O)n1)NC[C@H]1C[C@H]2C=C[C@H]1C2 1875332233 OIRVERKVEUDCCZ-YFKTTZPYSA-N 289.335 0.980 0 50 CCAA Cc1cnc(CNCCN2CCCC[C@@H]2CO)[nH]1 952968959 OORXBWLVXGXFOH-GFCCVEGCSA-N 252.362 0.655 0 50 CCAA CCCNC(=O)[C@H](C)N1CCN(CCSC)CC1 1506399623 ICBVTGLMIJECRG-LBPRGKRZSA-N 273.446 0.882 0 50 CCAA CCO[C@H]1CN(C(=O)c2cc(C)sn2)C[C@@H]1CO 888100740 MTZXPTATDAOXHU-KOLCDFICSA-N 270.354 0.921 0 50 CCAA NS(=O)(=O)c1ccc(N2CCSCC2)cc1 1336479741 ZAVFQSIDTJOAIP-UHFFFAOYSA-N 258.368 0.887 0 50 CCAA COCCn1cc(C(=O)Nc2cc(C)on2)nn1 1338237559 SLGBOUIBBJAVOT-UHFFFAOYSA-N 251.246 0.473 0 50 CCAA Cc1nscc1C(=O)N[C@H](C)Cn1cncn1 271325576 PXRCJGMJMXSJSI-SSDOTTSWSA-N 251.315 0.862 0 50 CCAA C[C@H](O)C(C)(C)NC(=O)CNC(=O)c1ccc(F)cc1 274049393 IFVUUFRHFYMIDU-VIFPVBQESA-N 282.315 0.831 0 50 CCAA Cc1csc(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)c1 580041842 OGTJIUCJTGXYOC-QMMMGPOBSA-N 291.350 0.531 0 50 CCAA O=C([C@H]1CSCN1)N1CCC[C@H](Cn2cncn2)C1 168579690 YETJDLDSVWJWTQ-WDEREUQCSA-N 281.385 0.179 0 50 CCAA C[C@@H]1CN(c2ncnc3c2CN(C)CC3)C[C@H]1CO 276868596 ZXCPXCFEXRBYBL-MNOVXSKESA-N 262.357 0.529 0 50 CCAA CC(C)[C@@](C)(O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 408301280 QVHXFYLTMKJXIZ-MWLCHTKSSA-N 263.359 0.087 0 50 CCAA CCOC1CC(O)(CNC(=O)[C@H]2CCCO[C@H]2C)C1 408474775 QBOCETPVVPEGNF-ATWGWHJKSA-N 271.357 0.848 0 50 CCAA NC(=O)CN1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 171313996 PYFZUSPVUUKXKK-UHFFFAOYSA-N 286.335 0.411 0 50 CCAA C[C@H](OC(=O)[C@H](O)[C@@H](C)c1ccccc1)C(N)=O 584907041 CYCAVHSQBHOIGN-ATZCPNFKSA-N 251.282 0.568 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 189263230 YSMQUUDAKWWZRV-GHMZBOCLSA-N 289.397 0.837 0 50 CCAA COCCCn1cnnc1CNCc1cnn(C)c1C 1506408453 YGJFKSYACRQOGO-UHFFFAOYSA-N 278.360 0.646 0 50 CCAA Cc1noc(=O)n1CC(=O)N[C@H]1CCCC[C@H]1C 1857528211 IEISOEASAIUEED-SCZZXKLOSA-N 253.302 0.840 0 50 CCAA O=C(C1CCC1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857683927 RJJOZSHFZHVOEO-BXUZGUMPSA-N 266.341 0.276 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cn(C)cn3)C[C@@H]2O)on1 1704352282 WZDOOMHZCOKIJP-MFKMUULPSA-N 290.323 0.392 0 50 CCAA O=C(C[C@@H]1CCCOC1)N(CCO)Cc1ncc[nH]1 1704314191 RTYKFNDZBOHLGD-NSHDSACASA-N 267.329 0.547 0 50 CCAA COCCN1CCN(Cc2cnn(C)c2OC)C[C@@H]1C 1615586630 WKSXQXSLFHQHNP-LBPRGKRZSA-N 282.388 0.581 0 50 CCAA Cc1nn(C)c(C)c1CNS(=O)(=O)c1cn(C)cn1 266256841 CUDQFODAWSXPRV-UHFFFAOYSA-N 283.357 0.249 0 50 CCAA C[C@@H](N)C(=O)OB(c1ccccc1)c1ccccc1 169744526 BKYIQCXZZVWSLF-GFCCVEGCSA-N 253.110 0.683 0 50 CCAA O=C([C@@H]1CCOC1)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3)C1 1857694587 DXIKVQZRDYGTFP-CXTNEJHOSA-N 280.368 0.535 0 50 CCAA CC[C@@]1(C)CN(C(=O)c2ccc3nnnn3c2)CCO1 527481813 OICAEZAURYNQAF-ZDUSSCGKSA-N 275.312 0.765 0 50 CCAA NC(=O)CN1CCN(c2ccnc3cc(F)ccc23)CC1 301267183 MOUVXXFHLDIJCD-UHFFFAOYSA-N 288.326 0.981 0 50 CCAA Cn1c(=O)c2c(ncn2CCc2ccccc2)n(C)c1=O 380556 XPIOKRFUVIVDGS-UHFFFAOYSA-N 284.319 0.676 0 50 CCAA Cc1ccncc1CN1CCO[C@H](Cn2ccnn2)C1 639859682 XOWZBJSTOQMJCK-AWEZNQCLSA-N 273.340 0.883 0 50 CCAA CCCS(=O)(=O)N1CCN(c2ncccn2)CC1 2695009 YTXUIGQSPRJOHH-UHFFFAOYSA-N 270.358 0.338 0 50 CCAA Cc1cccc(CCN2CCC([C@@H](O)CO)CC2)n1 1772707181 WSAFYNMFXQTYRT-HNNXBMFYSA-N 264.369 0.998 0 50 CCAA CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2O 173747 WJUZHUUQBJOLJI-UHFFFAOYSA-N 254.330 0.084 0 50 CCAA biogenic COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100304258 OPRFJHWXEZHHLK-NGDQXYMTSA-N 277.320 0.991 0 50 CCAA C[C@H]1CN(CC(=O)N2CC[C@@]3(CCCNC3)C2)C[C@@H](C)O1 67740898 NGRFOGBPJVFMFT-IJEWVQPXSA-N 295.427 0.698 0 50 CCAA CCCc1nc(C)c(CNC(=O)[C@@H]2C[C@@H](N)CN2)s1 67981748 SUMMMRWDECGXAA-ZJUUUORDSA-N 282.413 0.709 0 50 CCAA O=C(Nc1nc[nH]n1)[C@@H]1CC(=O)N(c2ccccc2F)C1 20736566 AFTBSFKEYGQJFU-MRVPVSSYSA-N 289.270 0.935 0 50 CCAA CCc1cc(C(=O)NCCS(=O)(=O)N(C)C)cs1 67947648 TVOZYIYSQSPELL-UHFFFAOYSA-N 290.410 0.932 0 50 CCAA CCn1cc(S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)nc1C 330052763 POFQCGVBRWSTIL-JZYVYDRUSA-N 271.342 0.135 0 50 CCAA CNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 71385248 QAVRMZZWSQUNDR-SECBINFHSA-N 286.353 0.596 0 50 CCAA CN1CCO[C@@H](CN(CC(=N)O)C(=O)C2CC=CC2)C1 328638556 PDUWRLQUAGQDEZ-GFCCVEGCSA-N 281.356 0.647 0 50 CCAA O=C(c1cc(-n2cccn2)ccn1)N1C[C@@H](F)C[C@H]1CO 331917755 ZECPRABUZHUKRK-JQWIXIFHSA-N 290.298 0.812 0 50 CCAA CCOc1ccnc(N2CCCN(CCC(=O)O)CC2)n1 262444480 OWYDRIXODNLIEO-UHFFFAOYSA-N 294.355 0.862 0 50 CCAA CC(C)(C)n1cc(C(=O)NC[C@@](C)(O)C(=O)O)cn1 262506576 LIZPVZRUOINYMG-GFCCVEGCSA-N 269.301 0.204 0 50 CCAA NCCCCCNc1cc(C2CC(N)C2)nc(N)n1 218961705 DGHUJSJLVQDONY-UHFFFAOYSA-N 264.377 0.804 0 50 CCAA N[C@@H]1CC[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)CO3)C1 72148065 QFRCRGWTXRUFAV-GHMZBOCLSA-N 289.335 0.556 0 50 CCAA CCn1ncnc1CN1CCCO[C@H](Cn2cccn2)C1 215584332 JNTRMSHODGGLGB-ZDUSSCGKSA-N 290.371 0.786 0 50 CCAA O=C(CCN1CCCCCC1=O)NCc1ncc[nH]1 216300390 SIAVRPYEFWDYOR-UHFFFAOYSA-N 264.329 0.819 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1CC[C@@H](C(=O)O)[C@H]1C 284921249 BUKHHZUTHGRYIT-RKDXNWHRSA-N 287.341 0.212 0 50 CCAA CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 44791124 SKWKZGHYQAZMGG-UHFFFAOYSA-N 257.334 0.285 0 50 CCAA CCOc1ncccc1-c1c(C)n(C)c(=O)n(C)c1=O 426490602 NAOGWVSQOWNTGY-UHFFFAOYSA-N 275.308 0.853 0 50 CCAA Cn1ccnc1SCCNC(=O)N1CCCNC(=O)C1 426383145 RIOJZAJOGHKXNE-UHFFFAOYSA-N 297.384 0.044 0 50 CCAA CC(C)c1cc(C(=O)NC[C@H]2CCC(=O)N2C)n(C)n1 82121631 XWQTWWWDRIVMPJ-SNVBAGLBSA-N 278.356 0.894 0 50 CCAA O=C1C[C@@]2(CCN(c3ncnc4c3CCC4)C2)C(=O)N1 82139295 XFYMUVZBTSLFEC-CQSZACIVSA-N 272.308 0.208 0 50 CCAA O=C1C[C@]2(CCN(C(=O)CCc3ccccn3)C2)C(=O)N1 82096599 CYHCOPYUXMKYFW-HNNXBMFYSA-N 287.319 0.279 0 50 CCAA CCCN(CCOC)CC(=O)Nc1ccn(C)n1 244795390 RFMDTSQWYPUISP-UHFFFAOYSA-N 254.334 0.717 0 50 CCAA O=C(COC[C@H]1CCCO1)NCCn1cc(Cl)cn1 252478221 AFTIIZAFYOMWMF-LLVKDONJSA-N 287.747 0.848 0 50 CCAA Nc1nonc1-c1nc2ccccc2nc1-c1nonc1N 253471522 UOVUFHGOUMVKIY-UHFFFAOYSA-N 296.250 0.894 0 50 CCAA CC(C)CN1C[C@@H](C(=O)NCCc2cc[nH]n2)CCC1=O 299793526 HGMUKESVTSHFFP-LBPRGKRZSA-N 292.383 0.963 0 50 CCAA Cc1nc(CCN(C)C(=O)[C@H](C)Cn2cccn2)no1 827628124 XEVCKAUMXCLSDF-SNVBAGLBSA-N 277.328 0.912 0 50 CCAA O=C1NC2(CCCC2)C(=O)N2Cc3[nH]cnc3C[C@@H]12 828301460 GGLZYJVHSZPZAI-JTQLQIEISA-N 260.297 0.106 0 50 CCAA O=C(C1CCC1)N1CCCN(C(=O)[C@H]2CCOC2)CC1 584892083 KVWGFCCEPDTCNG-ZDUSSCGKSA-N 280.368 0.884 0 50 CCAA Cc1ccc(CN(C)C(=O)CCCS(N)(=O)=O)o1 905160230 OQIQPXSCINFSMJ-UHFFFAOYSA-N 274.342 0.615 0 50 CCAA COCCc1nc(CC(N)=O)nn1Cc1cccc(C)c1 670448097 PUVUCNCNHJDJIM-UHFFFAOYSA-N 288.351 0.852 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)CCc2cccnc2)C1 670472549 VVSDBIDIXQJOKA-CYBMUJFWSA-N 275.352 0.999 0 50 CCAA COc1cc2c(cc1CN1C[C@H](O)[C@@H](OC)C1)OCO2 670473407 KOLMNZQEYNUBLL-HZMBPMFUSA-N 281.308 0.615 0 50 CCAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)NC1COC1 1875290844 FJPPJDMKSZRBAQ-LLVKDONJSA-N 280.328 0.508 0 50 CCAA COCC(=O)N1[C@H](C)CN(Cc2nncs2)C[C@H]1C 1875271488 UAXXXFKBNITKOQ-NXEZZACHSA-N 284.385 0.606 0 50 CCAA COCc1nc(CNC(=O)N2CCC[C@H]2C)no1 1875276622 JMNOIUJKFULMJC-MRVPVSSYSA-N 254.290 0.910 0 50 CCAA C[C@H]1C[C@H](OC(=O)c2cccc3nn[nH]c23)C(=O)O1 1875252184 HITSGEUKPAAWLU-RCOVLWMOSA-N 261.237 0.819 0 50 CCAA CC(C)NS(=O)(=O)NCc1ccc(C(=O)N(C)C)cc1 272205068 PEFLWFJOQYQBPZ-UHFFFAOYSA-N 299.396 0.721 0 50 CCAA CNS(=O)(=O)c1ccc(NC(=O)NC2CCC2)nc1 276863464 UWGDIOJADPYVJA-UHFFFAOYSA-N 284.341 0.664 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)Nc1cnn(CC(N)=O)c1 277110665 XWVREWYOQKKWHF-GHMZBOCLSA-N 280.328 0.512 0 50 CCAA O=C1C[C@H](NC(=O)Cc2cccc(Cl)c2)CN1 169801092 PJCIKKLFGXCXKC-JTQLQIEISA-N 252.701 0.887 0 50 CCAA COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)NC1CC1 191166835 CQEACCCYZUAHMJ-XWIASGKRSA-N 266.341 0.539 0 50 CCAA COc1c(C)ncnc1N1CCN(C[C@@H](C)O)CC1 656118390 OSNLTGQYUGXXEW-SNVBAGLBSA-N 266.345 0.296 0 50 CCAA NC(=O)CC1CCN(C(=O)[C@H](C(=O)O)C2CCCC2)CC1 663088107 FLFYWPRZGDEGTH-CYBMUJFWSA-N 296.367 0.991 0 50 CCAA O=C1NC(=O)C(Br)=C1Br 2039881 BIKSKRPHKQWJCW-UHFFFAOYSA-N 254.865 0.644 0 50 CCAA in-vitro CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)N[C@H]2CO)C1 110915074 DMNLMJMGLDXXBB-TVQRCGJNSA-N 270.329 0.494 0 50 CCAA in-vitro Cc1csc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)c1 625589985 BWIXGCGEYRJVOD-IUCAKERBSA-N 277.367 0.485 0 50 CCAA C[C@H]1CN(C(=O)c2cncnc2O)C[C@]1(O)C1CCC1 1616102843 FHAFVPDEIIYMML-LKFCYVNXSA-N 277.324 0.805 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)NCC1(N)CC1 1615546644 MRTULHLXVMOPMW-HNNXBMFYSA-N 275.352 0.403 0 50 CCAA COc1cccc(OCC(=O)N2CC[C@H](CO)[C@H](O)C2)c1 562418354 PWEGCUJDFXTQAF-BXUZGUMPSA-N 295.335 0.276 0 50 CCAA CCc1ncc(NC(=O)[C@H]2COCCN2C(C)=O)cn1 163555471 HSLCGFNSLQHAJE-LLVKDONJSA-N 278.312 0.225 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)CCn1cccn1)C2 1704324921 HGTCGOSDKZWYBR-STQMWFEESA-N 278.356 0.062 0 50 CCAA CC(C)(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)O 859780190 XXLDIJOKPUKIEH-LBPRGKRZSA-N 298.383 0.811 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)Cc1ccc(O)cc1 129384362 UHGLSRWMLBSKGF-LLVKDONJSA-N 279.292 0.637 0 50 CCAA C[C@@H]1C[C@H](C(=O)N2CCOC[C@H]2CC(=O)O)CCO1 257708721 QXVMFBBSRISWHT-GMTAPVOTSA-N 271.313 0.504 0 50 CCAA CN(CC(=O)N1CCOCC1)Cc1cscn1 53094978 YWDJWBGKUWIZBP-UHFFFAOYSA-N 255.343 0.434 0 50 CCAA C[C@H]1CN(CCc2cnccn2)C[C@H]1N1CCOCC1 639513128 DOMYBQNDLXSVCU-DZGCQCFKSA-N 276.384 0.672 0 50 CCAA O=C(C1CCC1)N1CCN(S(=O)(=O)c2cn[nH]c2)CC1 670460135 NBZZOILAAQYTFJ-UHFFFAOYSA-N 298.368 0.043 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@@]1(C)CCCC[C@@H]1O 859866040 SMDFKVUXWDQESP-SMDDNHRTSA-N 268.357 0.688 0 50 CCAA CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 116788 LJRWJAIPPRBWJU-UHFFFAOYSA-N 297.336 0.247 0 50 CCAA Cn1ncc(Br)c1C(=O)N1CCNCC1 1279953 NIBKHQDNJPZVNQ-UHFFFAOYSA-N 273.134 0.228 0 50 CCAA Cc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)o1 2943196 YRQNYZVVLXFYFX-ZETCQYMHSA-N 255.226 0.636 0 50 CCAA CCCCS(=O)(=O)C[C@@H](COC)OC(C)=O 6310755 JBTJAVXPKIZWMW-SNVBAGLBSA-N 252.332 0.779 0 50 CCAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccn1 100081071 KCMUHCHPORKRCQ-TXFQPVFDSA-N 297.314 0.827 0 50 CCAA C[C@@H](C(=O)O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 229348807 TWTAPRQEDWQKPY-ZCFIWIBFSA-N 272.282 0.144 0 50 CCAA CCc1ncc2c(n1)CN(C(=O)C[C@@H](C)NC(C)=O)C2 67606046 HXCYBAISRYCBTR-SECBINFHSA-N 276.340 0.796 0 50 CCAA O=C([C@@H]1CCCO1)N1CCC(c2nnc(O)o2)CC1 331862688 CSXPUWWQLATRBN-VIFPVBQESA-N 267.285 0.660 0 50 CCAA COC[C@H](C)C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 328644347 ZDJBEDOGVJQKIO-NWDGAFQWSA-N 280.372 0.518 0 50 CCAA COc1cc(C(=O)N2CCC(Cn3cncn3)CC2)on1 330301647 JCHSNHSGDCHAOI-UHFFFAOYSA-N 291.311 0.827 0 50 CCAA COCCN(Cc1ccncc1)C(=O)C[C@H]1CNCCO1 215907801 BYUINTNIZIJBSS-AWEZNQCLSA-N 293.367 0.435 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)o1 263191674 VUVGBEPUQQQHPL-VXNVDRBHSA-N 273.310 0.929 0 50 CCAA CC(=O)N[C@H](C(=O)N1CCn2cncc2C1)C(C)C 72153024 HPRQBPWECBPZTJ-LBPRGKRZSA-N 264.329 0.386 0 50 CCAA Cc1cccc(C)c1C(=O)N1CC[C@](O)(C(N)=O)C1 286556013 RVQLEEPPYGVGCD-CQSZACIVSA-N 262.309 0.366 0 50 CCAA O=C(N[C@@H]1COCC[C@@H]1OCC1CCC1)c1ncn[nH]1 222230809 PMZHTLRVRLYKOU-MNOVXSKESA-N 280.328 0.509 0 50 CCAA O=C(c1ccco1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 222252556 UDMVDZJNFBZZIC-RYUDHWBXSA-N 264.325 0.951 0 50 CCAA O=C(C1CCOCC1)N1CCC2(CCNC[C@@H]2CO)CC1 97307815 GEJVYPUZHZTDDA-CQSZACIVSA-N 296.411 0.624 0 50 CCAA COCC[C@]1(O)CCN(C(=O)c2cnn(C)c2)C[C@H]1C 91830011 RXUGCGMYSFYZIC-BXUZGUMPSA-N 281.356 0.670 0 50 CCAA O=C(CCn1cnnn1)NC[C@H]1COc2ccccc2C1 91548252 QTDURDDHDFPBRI-NSHDSACASA-N 287.323 0.431 0 50 CCAA CN(Cc1ncon1)C(=O)[C@H](O)C1CCCCC1 331242055 KFUGZNCIXXHEPK-LLVKDONJSA-N 253.302 0.969 0 50 CCAA CCN1C[C@@H](C(=O)NCCCc2ccccn2)CC1=O 91305733 BXAILOWQVDKRKM-LBPRGKRZSA-N 275.352 0.999 0 50 CCAA COc1cc(NC2=CC(=O)NC2)ccc1-n1cnnn1 524734909 IHKCBULDPFFBSP-UHFFFAOYSA-N 272.268 0.097 0 50 CCAA Cc1cnc(CN2CCS(=O)(=O)CC2)c(C)c1O 253536866 QGUFHXKTDGORNK-UHFFFAOYSA-N 270.354 0.634 0 50 CCAA CCn1nc(C)c(C(=O)NCc2nc(N)n[nH]2)c1C 534659628 TYYDECLFIKMJKJ-UHFFFAOYSA-N 263.305 0.150 0 50 CCAA O=S1(=O)CC[C@@H](CCN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)C1 828394691 HCIQBHAWORLYHH-RGDJUOJXSA-N 284.425 0.493 0 50 CCAA CN1CC[C@@](C)(C(=O)NCC2CCN(CCCO)CC2)C1 828752928 RFKIURWRORNBJH-MRXNPFEDSA-N 297.443 0.539 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NCCN1CCC[C@@H](CO)C1 584884723 FSLMIAATLFFWHA-CYBMUJFWSA-N 294.399 0.390 0 50 CCAA C[C@@H](c1cccnc1)N(C)C(=O)CCCS(N)(=O)=O 906439922 IALBBUVVZDXWMM-JTQLQIEISA-N 285.369 0.670 0 50 CCAA O=C(Nc1ccc2[nH]ccc(=O)c2c1)[C@H]1COCCO1 863947727 ABGSHPDZMFLVDV-CYBMUJFWSA-N 274.276 0.882 0 50 CCAA O=C(NCCN1CCCC[C@H]1CO)c1cc[nH]c1 670450317 UPSIGCFGZGHTPZ-LBPRGKRZSA-N 251.330 0.591 0 50 CCAA C[C@@H](Cn1cccn1)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685940837 JMVWYVJEHBXSTK-WCFLWFBJSA-N 277.328 0.431 0 50 CCAA Cn1/c(=N\C(=O)[C@@H](O)C(C)(C)O)sc2ccccc21 1548407939 OEKDBOOJNATIRE-NOHQBZTLSA-N 280.349 0.799 0 50 CCAA CC(=O)N1CC(C)(C)OC2(CN(CC3(O)CCC3)C2)C1 952892591 AWWUFDGJJKVBQO-UHFFFAOYSA-N 282.384 0.613 0 50 CCAA COCC(=O)NC[C@@H]1C[C@H](OC)CN1c1cc(C)ncn1 952890882 LWBJGCHLIDXDPQ-RYUDHWBXSA-N 294.355 0.141 0 50 CCAA C[C@@H](CCC(=O)O)N(C)C(=O)[C@H]1CCCS1(=O)=O 1875306817 PUUAQPGWTAKEKZ-DTWKUNHWSA-N 277.342 0.275 0 50 CCAA O=C(O)c1cn(CCNC(=O)c2c[nH]c3cccnc23)cn1 1875337518 WUIFXOJTNXNROF-UHFFFAOYSA-N 299.290 0.888 0 50 CCAA COC[C@H](O)CNC(=O)/C=C/c1cc(CO)cs1 952985349 RWFWKXSEJQGRHE-VMZHVLLKSA-N 271.338 0.377 0 50 CCAA CC[C@@H](O)CN1CCN(C(=O)[C@@]2(C)CCCNC2)CC1 888096418 UTLSGZHYRWTZIA-HIFRSBDPSA-N 283.416 0.291 0 50 CCAA CCOC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1O 44154532 YKDLEHPCPKSCPK-NWDGAFQWSA-N 263.293 0.569 0 50 CCAA in-vitro CC(C)CN1C[C@H](C(=O)N[C@H]2CN(C)CC2(C)C)CC1=O 1413642755 RESGFQMUXZBTIS-OLZOCXBDSA-N 295.427 0.947 0 50 CCAA Cn1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)nn1 302703107 WGCQDMRCCXWDIU-SECBINFHSA-N 266.301 0.532 0 50 CCAA CC(C)(CN1CCOCC1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 408472178 UNBHUZWVPGWVJO-JHJVBQTASA-N 282.384 0.781 0 50 CCAA CC(CO)(CO)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 189048154 OKSAPGDRFRULGI-MNOVXSKESA-N 273.373 0.545 0 50 CCAA OCC1(CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)COC1 583616810 JHDSNNFTOCGLNC-KBPBESRZSA-N 281.327 0.942 0 50 CCAA CN(C)C[C@@]1(O)CCCN(Cc2nnnn2C(C)(C)C)C1 585116224 MEHDVAZJYMRHHD-AWEZNQCLSA-N 296.419 0.317 0 50 CCAA COC(=O)c1oc(S(=O)(=O)NC[C@H](C)N)cc1C 595107068 DHJFACHKKPUNBD-ZETCQYMHSA-N 276.314 0.000 0 50 CCAA CC(C)c1n[nH]cc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 659778358 HUBSFTGATTUIOX-YMTOWFKASA-N 293.323 0.706 0 50 CCAA CC(=O)NC(C)(C)C[C@H](C)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1506419042 XRVORUPHGGVABH-MQFWEAQZSA-N 298.427 0.743 0 50 CCAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)[C@@H]1COCCN1 236635719 LXBFHAQJBCDGRC-TUAOUCFPSA-N 270.373 0.685 0 50 CCAA OC[C@H](O)[C@H]1COCCN1CCOc1ccccc1 1875274986 JXWRHBKWRZLGML-KGLIPLIRSA-N 267.325 0.119 0 50 CCAA c1nn[nH]c1CCN=c1nc(C2CCOCC2)[nH]s1 1875287955 HLDPDQJIZSZJBJ-UHFFFAOYSA-N 280.357 0.627 0 50 CCAA O=C(NCc1ccc(O)nn1)c1c[nH]c2nccc-2c1 1636158859 BVXSZFSFPDIUNO-UHFFFAOYSA-N 269.264 0.940 0 50 CCAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)NO)[C@@H]3C2 207086204 FYSORZDAOUCPGD-SOCHQFKDSA-N 274.342 0.926 0 50 CCAA Cc1cc(=NC(=O)c2ccc(Cn3cnnn3)cc2)[nH]o1 1875243184 UZBAZROXFGSPMP-UHFFFAOYSA-N 284.279 0.692 0 50 CCAA CCN1CCN(C(=O)CCOC)C[C@H]1c1nccn1C 328618181 DMWGZMICMTZQEU-LBPRGKRZSA-N 280.372 0.662 0 50 CCAA CN(Cc1ncc[nH]1)C(=O)CNC(=O)c1ccc(F)cc1 346380220 CXAHNBDFRBWQDG-UHFFFAOYSA-N 290.298 0.937 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(Cc1cnn3cccnc13)C2 1704325500 NPCQKSKIEFBJNQ-OCCSQVGLSA-N 287.367 0.492 0 50 CCAA O=S(=O)(NCC1COC1)c1cnc(C2CC2)o1 2325803941 LBOKDIIUBGGISG-UHFFFAOYSA-N 258.299 0.477 0 50 CCAA CC(C)(O)[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 670453214 SHDKTIQVMYBXFO-SNVBAGLBSA-N 254.330 0.228 0 50 CCAA COC(=O)[C@@H]1C(=O)N(C)[C@@H](c2ccccc2)[C@@H]1C(=O)OC 319973 XNRUNYQJCBBOGJ-WOPDTQHZSA-N 291.303 0.778 0 50 CCAA COC(=O)/C=C1/N=C(Nc2nc3ccccc3o2)NC1=O 6520403 IORPOUNXICMTHS-SOFGYWHQSA-N 286.247 0.782 0 50 CCAA CO[C@@H](C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 112033770 LCMLWGPJACJMOE-BQBZGAKWSA-N 268.235 0.301 0 50 CCAA CC(C)COC(=O)CCNc1nnc(O)nc1O 8658438 KSPFSTBUTPKBTH-UHFFFAOYSA-N 256.262 0.284 0 50 CCAA C[C@@H]1OCC[C@]1(O)CNC(=O)Cc1ccsc1 228684932 ZFFGMTMMQLRLPE-CABZTGNLSA-N 255.339 0.947 0 50 CCAA CSCc1noc(CN2C[C@H](C(=O)O)CC2=O)n1 65405988 WAJRJMQVTIQJCB-ZCFIWIBFSA-N 271.298 0.366 0 50 CCAA CCC1=NO[C@@H](Cn2ncc(N3CCOCC3)cc2=O)C1 23129294 HMONUIKWKHRPNM-CYBMUJFWSA-N 292.339 0.635 0 50 CCAA CN(CC1(O)CCOCC1)S(=O)(=O)c1cccs1 125542171 NXQCPMCRWNLRMR-UHFFFAOYSA-N 291.394 0.910 0 50 CCAA Cc1nccnc1N1CCC[C@H](n2cc(CO)nn2)C1 328702089 NQXBDJOBWSLBHA-LBPRGKRZSA-N 274.328 0.710 0 50 CCAA O=C(c1nccn2ccnc12)N1CC[C@@]2(CCOC2)C1 328869830 CZVKMWOZSUCCOQ-CQSZACIVSA-N 272.308 0.982 0 50 CCAA CN(C)C[C@]1(O)CCN(C(=O)CCc2csc(N)n2)C1 72165382 NJBRIUXVVGIQMN-CYBMUJFWSA-N 298.412 0.183 0 50 CCAA CC(C)n1[nH]cnc1=NC(=O)NC[C@H]1CCCO1 333437245 VMOCMLDNALBTMX-SECBINFHSA-N 253.306 0.581 0 50 CCAA CC(C)c1nc(CN(C)C(=O)CCc2n[nH]c(N)n2)no1 77354447 RRZNKXVRZFNWMY-UHFFFAOYSA-N 293.331 0.485 0 50 CCAA COCc1nc([C@@H]2CCOC2)cc(N2CCOCC2)n1 426399008 KADIAFKPMNLDMZ-LLVKDONJSA-N 279.340 0.964 0 50 CCAA CC(C)n1cc(C(=O)O)c(=O)c(C(=O)N[C@H](C)C(=O)O)c1 426705947 XIAKPTMRVYLULL-SSDOTTSWSA-N 296.279 0.330 0 50 CCAA CC(C)(C(=O)N1CCO[C@H](C(=O)O)C1)n1cccc1 426535180 OJUZGPWPZCSTBW-JTQLQIEISA-N 266.297 0.535 0 50 CCAA CCC[C@@H](NC(C)=O)C(=O)NCCSc1cnn[nH]1 222828708 JIMTUANAINSQLT-SECBINFHSA-N 285.373 0.318 0 50 CCAA O=C1CCOCCN1CCS(=O)(=O)c1ccccc1 95498524 RLOZUZBXFGYBPY-UHFFFAOYSA-N 283.349 0.709 0 50 CCAA CCN1CCN(Cc2cnn(CCC(=O)O)c2)[C@H](C)C1=O 97179484 BDQSSRIOQABJHZ-LLVKDONJSA-N 294.355 0.410 0 50 CCAA Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3CCCN3)C2)no1 237774263 SCAZWSNMSFBAEA-VXGBXAGGSA-N 278.356 0.911 0 50 CCAA Cc1cnc(CNC(=O)c2ccccc2-c2nnn[nH]2)cn1 97179323 MNULZVNQXCKSGP-UHFFFAOYSA-N 295.306 0.895 0 50 CCAA Cc1ccc(CCNC(=O)C[C@@H]2CN(C)CCN2C)o1 244858456 VLKRTLFWSGNZID-CYBMUJFWSA-N 279.384 0.883 0 50 CCAA COc1ccc(CN2CCC([C@@H](O)C(N)=O)CC2)cc1 299742670 IFDJGDKETGNOEL-CQSZACIVSA-N 278.352 0.753 0 50 CCAA Cn1nc2cccc(S(=O)(=O)N3CCC[C@@H](N)C3)c2n1 534640056 VPAZXYGTUHJXKC-SECBINFHSA-N 295.368 0.080 0 50 CCAA CC1(C)SC[C@@H](C(=O)NCCc2cc[nH]n2)NC1=O 534667789 JIQJWPKPUCMLPS-VIFPVBQESA-N 282.369 0.079 0 50 CCAA Cc1ncc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)O)C2)n1C 629295079 HRISUJBBQLZHNF-IUCAKERBSA-N 285.325 0.036 0 50 CCAA COC(=O)N1CCCC[C@H]1C(=O)NCCc1cc[nH]n1 534587233 SQMBGQVFIVDZMX-NSHDSACASA-N 280.328 0.689 0 50 CCAA Cn1cnnc1CCC(=O)N[C@H](c1nccn1C)C1CC1 534652435 PUOJYXIZTYEOSA-ZDUSSCGKSA-N 288.355 0.749 0 50 CCAA O=S(=O)(NCC1(Cn2ccnc2)CC1)c1cn[nH]c1 534584528 KUKXHHLTXXHZID-UHFFFAOYSA-N 281.341 0.365 0 50 CCAA CCn1cnnc1[C@H](C)NS(=O)(=O)c1cnn(C)c1C 823592631 XFFADCWKJXTEON-QMMMGPOBSA-N 298.372 0.379 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cn1cccnc1=O 584898878 VPRPUIXSAZFOER-QMMMGPOBSA-N 275.312 0.461 0 50 CCAA NCCNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 864092682 TZOWTMLCKRJAEH-SNVBAGLBSA-N 276.258 0.684 0 50 CCAA Cn1nnc(CNc2cccc3c2CCNC3=O)n1 1875313129 XLFQGBUCJPRZDM-UHFFFAOYSA-N 258.285 0.108 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 1875376969 OHXHDSZQVZOCDD-UFFNRZRYSA-N 267.329 0.204 0 50 CCAA C=CC(=O)N1CC(C(=O)NCc2scnc2C)C1 1875387067 MFNYBERJLXHCBZ-UHFFFAOYSA-N 265.338 0.712 0 50 CCAA CO[C@@H]1CN(Cc2c[nH]nc2C)C[C@H]1c1cn(C)nn1 886094001 NJIYEPDAMPLQRS-WCQYABFASA-N 276.344 0.461 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1 952963765 IMQYKEGPHXGOFX-SWLSCSKDSA-N 286.335 0.548 0 50 CCAA COc1cccnc1CNC(=O)N[C@H]1CCS(=O)(=O)C1 1776005554 DUIAUNSRKBRYTM-VIFPVBQESA-N 299.352 0.077 0 50 CCAA CC(C)n1ccc(CN2CC[C@](O)(Cn3ccnn3)C2)n1 671552205 DEPAOACLWRNWBU-CQSZACIVSA-N 290.371 0.693 0 50 CCAA CCNC(=O)N(CCN1CCOCC1)[C@@H]1CCSC1 585115326 WREUKWQYACBOEA-GFCCVEGCSA-N 287.429 0.856 0 50 CCAA CCOC1CC(O)(CNC(=O)C(C)(C)c2cnc[nH]2)C1 646965597 IUMRBWOEFGZENA-UHFFFAOYSA-N 281.356 0.734 0 50 CCAA Cc1cc(C)nc(N[C@@H]2C[C@@H](C(=O)O)C[C@@H]2O)n1 662895657 FLKXUIBCAZBUSO-BBBLOLIVSA-N 251.286 0.729 0 50 CCAA Cn1ccnc1CN1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857725322 QCVJSBBTWWXXET-WOPDTQHZSA-N 251.330 0.392 0 50 CCAA CCc1nc(CN2CCO[C@H]3C[C@H](CO)C[C@@H]32)n[nH]1 1857726985 GYAUHFNERBRANC-VWYCJHECSA-N 266.345 0.339 0 50 CCAA NS(=O)(=O)c1ccc(I)cc1 2040671 KQZFABSTXSNEQH-UHFFFAOYSA-N 283.090 0.939 0 50 CCAA in-vitro C[C@@H]1C(=O)CC[C@H]1CC(=O)N(C)CCS(C)(=O)=O 225419651 IPUFCLGOWWNPKD-UWVGGRQHSA-N 275.370 0.495 0 50 CCAA CC[C@H]1C(=O)N(CC)CCN1C(=O)CCn1cncn1 331185837 SWPOXGBYEXDWGO-NSHDSACASA-N 279.344 0.138 0 50 CCAA CCc1nc(=N[C@@H]2CCC(=O)N[C@@H]2C2CC2)s[nH]1 376421732 QWMSTCJJACVHRD-LDYMZIIASA-N 266.370 0.992 0 50 CCAA OCC1(CO)[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 1772804186 IMHVAMNHJISBFJ-STQMWFEESA-N 251.301 0.858 0 50 CCAA C[C@H]1CC[C@@H](C(=O)O)N1C(=O)c1nc[nH]c2nccc1-2 1857531875 GHJUDSPBPKPAME-CBAPKCEASA-N 274.280 0.987 0 50 CCAA COc1cc(CNC(=O)[C@@H]2C[C@H](OC)CN2C)ccn1 330546152 VDSZEDWULNMGLG-RYUDHWBXSA-N 279.340 0.426 0 50 CCAA Cn1nc(-c2ccco2)cc1NC(=O)NC1(C(N)=O)CC1 252488772 IYRJMLAPKRUPGZ-UHFFFAOYSA-N 289.295 0.820 0 50 CCAA C[C@H](N)CC(=O)N1CCC(Cc2nccn2C)CC1 261848520 MJIBHSGHRTUXQB-NSHDSACASA-N 264.373 0.939 0 50 CCAA CC[C@@H]1[C@@H](C(=O)Nc2cc(C(=O)O)[nH]n2)CCN1C 902676527 QESWASJTDCCSEH-IONNQARKSA-N 266.301 0.777 0 50 CCAA C[C@H]1C(=O)N(C)S(=O)(=O)N1Cc1cccc(C(=O)O)c1 843302703 SKWFWPLSBWOXBI-QMMMGPOBSA-N 298.320 0.292 0 50 CCAA COc1cccc(C(=O)N[C@H]2CCOC[C@@H]2OC)c1O 312558519 OVJYTUZAAWVANQ-JQWIXIFHSA-N 281.308 0.935 0 50 CCAA CC[C@H](NC(C)=O)C(=O)NCc1csc(N)n1 584887693 HXUAMHVWISQFLZ-QMMMGPOBSA-N 256.331 0.256 0 50 CCAA CC1(C)[C@H](CN)C[C@H]1NC(=O)c1cnn2c1C[C@H](N)CC2 2325799981 CHPNYJWIUUZHHK-OPQQBVKSSA-N 291.399 0.260 0 50 CCAA CC(=O)NCCNC(=O)c1cc2ccccc2oc1=O 2372981 AMCCVTOLYUZKMM-UHFFFAOYSA-N 274.276 0.659 0 50 CCAA Cn1cnc(NC(=O)[C@H]2CCCN(C3CCOCC3)C2)n1 2356167832 FBCNEIPCBBSHRR-NSHDSACASA-N 293.371 0.645 0 50 CCAA CC[C@@H](C)NC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 4185182 MGYIPNGCRNEGHP-GHMZBOCLSA-N 292.335 0.857 0 50 CCAA O=S1(=O)CC[C@H](NC(=S)N2CCCCC2)C1 4304684 NBQGTGFVYJUKCR-VIFPVBQESA-N 262.400 0.534 0 50 CCAA CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccccc2)C1 311130146 QSKMLQOOTZYDBJ-QWRGUYRKSA-N 271.338 0.457 0 50 CCAA CN=c1[nH]c(N2CCCO[C@@H](CN)C2)nc2ccccc12 420287182 RFZOGRIYOAAJGA-NSHDSACASA-N 287.367 0.647 0 50 CCAA CCC(CC)NC(=O)C1CCN(S(C)(=O)=O)CC1 25678926 ZDDRHKLFPZUODE-UHFFFAOYSA-N 276.402 0.963 0 50 CCAA O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccon1 20997288 ICEUXDSQOAWRAX-UHFFFAOYSA-N 284.279 0.645 0 50 CCAA COC1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 408359031 JLRZQXJORLEMCH-UHFFFAOYSA-N 299.348 0.867 0 50 CCAA CN(C)c1nccnc1N1CCN(C2CCOCC2)CC1 302171322 AKSQUPXMGUDTHL-UHFFFAOYSA-N 291.399 0.844 0 50 CCAA NC(=O)C1CCN(C[C@]2(O)CCCN3CCCC[C@@H]32)CC1 63848547 WSCQYNFHURVPHT-GDBMZVCRSA-N 295.427 0.563 0 50 CCAA CC[C@H](C(N)=O)N(c1ccc(OC)cc1)S(C)(=O)=O 65362977 PTHDGKWAHHZWDJ-LLVKDONJSA-N 286.353 0.725 0 50 CCAA C[C@@H](Cn1cncn1)NCc1ccc2nonc2c1 65407076 YEUWEPXJCCJGPK-VIFPVBQESA-N 258.285 0.993 0 50 CCAA CN(C)[C@H](CNC(=O)CCS(C)(=O)=O)c1ccco1 62353364 UWMPFDKIHDLXIK-SNVBAGLBSA-N 288.369 0.433 0 50 CCAA CO[C@@H](C)CC(=O)N(CC(=N)O)C[C@H]1CN(C)CCO1 328654190 XHMVYFUZLKJCEH-WDEREUQCSA-N 287.360 0.106 0 50 CCAA C[C@@H](C(=O)N1CCOC[C@]12CCOC2)n1cccn1 282292607 YNNWGMIVLBSSFR-WCQYABFASA-N 265.313 0.462 0 50 CCAA c1nc(-c2noc([C@H]3CCc4n[nH]cc4C3)n2)n[nH]1 328884907 YUCXTXCIMOSEAF-LURJTMIESA-N 257.257 0.850 0 50 CCAA CC[C@H](OC1CCCCC1)C(=O)NCc1n[nH]c(=O)[nH]1 151892945 OCGKRFOEODXFDF-JTQLQIEISA-N 282.344 0.842 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@H](C)N1 153300153 WKHNJVCWOGHBFU-QWRGUYRKSA-N 290.367 0.677 0 50 CCAA CC(C)[C@H](O)C(=O)NCCc1nc(C2CC2)no1 217021891 AHHVKWLXFYDQAJ-JTQLQIEISA-N 253.302 0.623 0 50 CCAA F[C@H]1C[C@@H](CN[C@@H]2CCOC2)N(c2cccnn2)C1 369545651 IYUIXNDQOCCZRX-TUAOUCFPSA-N 266.320 0.772 0 50 CCAA CCCn1[nH]cc/c1=N\C(=O)CN1CCOC[C@@H](C)C1 372218909 WBMSLSSNPSMGPR-UJUPCEQOSA-N 280.372 0.622 0 50 CCAA O=C(Nn1cnnc1)[C@H]1CCCN1C(=O)C1CCCCC1 71416136 APVMITPXKMPALG-GFCCVEGCSA-N 291.355 0.920 0 50 CCAA Cc1ncc(C(=O)NCCN2CCCC2(C)C)c(=N)[nH]1 616155616 UGXXEFXERITITQ-UHFFFAOYSA-N 277.372 0.802 0 50 CCAA N[C@H]1CCCCN(C(=O)c2ccc3[nH]nnc3c2)C1 82108485 GOMMADNGDDXCEB-JTQLQIEISA-N 259.313 0.911 0 50 CCAA CN(CCCNC(=O)NC[C@@H](O)CO)c1ccccc1 426518889 BHJDLANFLUBAFQ-CYBMUJFWSA-N 281.356 0.165 0 50 CCAA CNC(=O)c1cccc(C(=O)N(C)[C@H]2CCNC2)c1 179125506 KWWRTJYFAUCKOC-LBPRGKRZSA-N 261.325 0.480 0 50 CCAA C[C@@H]1CN(C(=O)CCCN2CCOCC2)C[C@@]1(O)C1CC1 91691268 HIJJLZPNOYXMFG-CJNGLKHVSA-N 296.411 0.718 0 50 CCAA CC(C)Cc1cc(C(=O)N2C[C@H](CCO)[C@@H](N)C2)n(C)n1 91535539 MEFIBMQRBVBZFG-AAEUAGOBSA-N 294.399 0.400 0 50 CCAA COCCn1cnnc1CN(C)Cc1c[nH]c(C)n1 97475474 JUJXVNHWWUKICX-UHFFFAOYSA-N 264.333 0.588 0 50 CCAA CC(C)(C)CCN1CCN(C(=O)CO)C[C@@H](C(=O)O)C1 97610086 KFTQIEAQJRUIGX-NSHDSACASA-N 286.372 0.260 0 50 CCAA COCc1ccc(C(=O)NCCN(C)S(C)(=O)=O)o1 96161043 NMVMQAHQCXWCJQ-UHFFFAOYSA-N 290.341 0.047 0 50 CCAA CCc1cc(C(=O)N2CCCN(C(C)=O)CC2)cc(=O)[nH]1 97732629 UXOVRBGOHWWUEH-UHFFFAOYSA-N 291.351 0.632 0 50 CCAA O=C(CN1CCc2n[nH]cc2C1)NC[C@@H]1CCCO1 244685558 ISJYSXVXUNEWIB-NSHDSACASA-N 264.329 0.063 0 50 CCAA CCC[C@](C)(NC(=O)[C@H]1CSCN1C(C)=O)C(=O)O 299748620 HRUOXJSDUQSYCL-SKDRFNHKSA-N 288.369 0.667 0 50 CCAA COc1cc(OC)nc(N[C@H]2COC[C@@H]2N2CCCC2)n1 534584751 KTJKRTVKDZWMCH-QWRGUYRKSA-N 294.355 0.769 0 50 CCAA Cc1ccc(O)cc1C(=O)NC[C@](C)(O)CCCO 584889782 PQDOCJXSSXKCGB-CQSZACIVSA-N 267.325 0.954 0 50 CCAA Cc1nc([C@H](C)n2cnc3ccncc3c2=O)n[nH]1 584896506 OEXAGSSTCSBOLD-ZETCQYMHSA-N 256.269 0.827 0 50 CCAA CN(CC(=O)N1CCOCC1)C[C@@H]1CCN(C)C1(C)C 670468096 BJTPHLZYYIASKJ-ZDUSSCGKSA-N 283.416 0.507 0 50 CCAA COCC[C@@H]1CN(c2ncc(F)c(OC)n2)CCO1 670441089 RHPBBYYCKRRVMD-SECBINFHSA-N 271.292 0.866 0 50 CCAA CS(=O)(=O)Nc1ccc([C@H]2CC[C@H](N)CN2)cc1 757211911 KXBQXMYIHZQKFL-CMPLNLGQSA-N 269.370 0.810 0 50 CCAA O[C@@]1(CN2CCN(CCc3ccccc3)CC2)CCNC1 952876994 JZYQSLAGOGDLNQ-KRWDZBQOSA-N 289.423 0.571 0 50 CCAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)[C@H]1CCN1 952983758 VTAWSDBMIFTDBD-SECBINFHSA-N 260.257 0.292 0 50 CCAA Cc1ccn2c(F)c(C(=O)N3C[C@@H](O)[C@H](F)C3)nc2c1 952989254 IGFOTTFGYAFWDA-RKDXNWHRSA-N 281.262 0.937 0 50 CCAA Cc1nccnc1CN1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076077131 GUVFDCSAQDIQHD-KGLIPLIRSA-N 286.339 0.722 0 50 CCAA CN1C[C@H]2CCN(C(=O)NCc3cncn3C)[C@H]2C1 894917074 ZBMKYKFQSVXFBH-PWSUYJOCSA-N 263.345 0.266 0 50 CCAA CCOCCN1CCN(Cc2nnc(C)o2)C[C@H]1C 247097538 HYRLVFFXAOPVBK-LLVKDONJSA-N 268.361 0.921 0 50 CCAA COc1cc(Cn2cnc3c(cnn3C)c2=O)sn1 631004811 CUKITRYRWBNVIO-UHFFFAOYSA-N 277.309 0.643 0 50 CCAA COc1cc(C)cc(CN=c2[nH]c(C)nc(=N)[nH]2)c1 631179939 ZOADINOPIQGXSN-UHFFFAOYSA-N 259.313 0.944 0 50 CCAA CS(=O)(=O)NCCNC(=O)NC1Cc2ccccc2C1 186478880 ZPWJERHSUJEZFV-UHFFFAOYSA-N 297.380 0.002 0 50 CCAA Cc1noc([C@@H]2CN(CCC(C)(C)O)CCN2C)n1 408033709 AYLSBQOLFMVJPG-NSHDSACASA-N 268.361 0.828 0 50 CCAA Cc1c(S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cnn1C 408478045 BZQXHYOEOGZWQW-DCAQKATOSA-N 297.380 0.970 0 50 CCAA Cc1nc(N(C)C)nc(N2CCN(C[C@@H](C)O)C[C@@H]2C)n1 170086232 DEFBRTVCTYBULE-WDEREUQCSA-N 294.403 0.137 0 50 CCAA Cc1nc(NC(=O)Cn2c(=O)cnc3ccccc32)n(C)n1 170594705 DBWMIWLUBFBVPV-UHFFFAOYSA-N 298.306 0.472 0 50 CCAA CCOCCNS(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC 170610370 KUEOCKLEIANCHP-ZJUUUORDSA-N 279.358 0.284 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2n[nH]cc2C)C1 643757019 DZUFOADQVZGWNU-CYBMUJFWSA-N 266.345 0.181 0 50 CCAA CCN(C(=O)c1ccnc2c1nnn2C)c1cnn(C)c1 655334195 KRUQSORQDWUBRI-UHFFFAOYSA-N 285.311 0.764 0 50 CCAA CN1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 659832159 NVFINRIEUVMKLT-RWMBFGLXSA-N 251.374 0.681 0 50 CCAA CN(Cc1cnn(C)c1C(F)(F)F)[C@H]1CNC[C@@H]1O 420347409 GNYYJSJFBCHLHD-IUCAKERBSA-N 278.278 0.203 0 50 CCAA C[C@@H]1CN(CCO)CCN1c1ncc(Cl)cn1 576701176 ICKKLFBSUJJJLE-SECBINFHSA-N 256.737 0.633 0 50 CCAA CC(C)N1C[C@H](CN2CCS(=O)(=O)CC2)CCC1=O 1775977805 MKDQPFMSUDBIQZ-LBPRGKRZSA-N 288.413 0.364 0 50 CCAA CCOC(=O)N1CCC(N2C[C@H]3CNC[C@]3(CO)C2)CC1 1772707049 YVFZNCOTLLGTPG-IUODEOHRSA-N 297.399 0.121 0 50 CCAA CC(=O)NCC(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1 12313746 PKJDHBWJJICJTN-LBPRGKRZSA-N 295.383 0.562 0 50 CCAA CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)O)CC1 15443033 WUVXPLRYCUOGTJ-UHFFFAOYSA-N 258.274 0.150 0 50 CCAA C[C@H](N)C(=O)Nc1ccccc1CN1CCOCC1 165647825 XFIJOPAKLQLACV-NSHDSACASA-N 263.341 0.805 0 50 CCAA COc1ccc(CN2C(=O)N[C@]3(CCCNC3)C2=O)cc1 168107532 HLQXHLBNEWLJAI-HNNXBMFYSA-N 289.335 0.869 0 50 CCAA O=C(NCc1[nH]nc2ncccc12)[C@H]1CCc2ncnn2C1 1857712706 NFHGWWNAJRIYMH-VIFPVBQESA-N 297.322 0.428 0 50 CCAA CO[C@@H]1CC[C@H](C(=O)NCCCn2cccn2)C[C@H]1N 1857721438 ORQVZRMGVALDFI-YNEHKIRRSA-N 280.372 0.532 0 50 CCAA O=C(Cc1ccc(F)cc1F)N[C@H]1CO[C@@H]2[C@@H](O)CO[C@H]12 1875248090 YTVASCXWRUBAMC-CDGCEXEKSA-N 299.273 0.151 0 50 CCAA O=S(=O)(c1ccc2c(c1)OCO2)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 368182334 FDOIERDSNLRIEG-URLYPYJESA-N 297.332 0.274 0 50 CCAA Nc1nc2c(s1)C[C@@H](NC(=O)CC1OCCO1)CC2 846122684 LFZVVPADGFZWLV-ZETCQYMHSA-N 283.353 0.462 0 50 CCAA COc1ccc(C(=O)NCCN(C)C)c(OC)c1 5674773 RJPUWYCOTXQSON-UHFFFAOYSA-N 252.314 0.995 0 50 CCAA CCOC[C@@H]1CCCN(C(=O)[C@H]2COCCN2)C1 236970369 ZJTVAZOFGXWSHG-VXGBXAGGSA-N 256.346 0.250 0 50 CCAA COC[C@H]1CN(C(=O)C2(N)CCCCC2)CCO1 262491850 XRDBOUYONDXDDN-LLVKDONJSA-N 256.346 0.522 0 50 CCAA COC1(CO)CCN(c2ncc(C(=O)O)cn2)CC1 401749488 MLWUJXHRUFVBEG-UHFFFAOYSA-N 267.285 0.153 0 50 CCAA CC(=O)N[C@H](C(=O)N1CCC[C@H]([C@H](C)N)C1)C(C)C 570639553 MPJDYXXTFWOFCJ-DRZSPHRISA-N 269.389 0.733 0 50 CCAA O=S(=O)(N[C@@H]1CCOC2(CCC2)C1)c1cn[nH]c1 1875263137 FLFPHWUVVRFTRQ-SECBINFHSA-N 271.342 0.790 0 50 CCAA CC1(C)C[C@H](c2nc([C@H]3COCCN3)no2)CNC1=O 2325812360 XCTLPXMUIAUWLS-DTWKUNHWSA-N 280.328 0.360 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(CNCCC(=O)N2)C1 2325712089 HWWYXIVFUVVRSX-CYBMUJFWSA-N 269.345 0.476 0 50 CCAA NOCC(=O)Nc1ccc(I)cn1 170011 UPYDPWKMKICMBK-UHFFFAOYSA-N 293.064 0.515 0 50 CCAA NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N 524685 KRZPBFILYZUPAN-UHFFFAOYSA-N 267.289 0.375 0 50 CCAA C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1638001 WUGMRIBZSVSJNP-UFBFGSQYSA-N 275.308 0.627 0 50 CCAA endogenous,in-man O=C(CCCn1cncn1)N1CCC[C@]12CCCNC2=O 2356138573 DZDDSDXZKZBGMN-AWEZNQCLSA-N 291.355 0.330 0 50 CCAA Nc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1 4206462 WXFJVTBRUSNYSR-UHFFFAOYSA-N 283.309 0.431 0 50 CCAA CCn1ncnc1[C@H](C)NC(=O)Cn1nc2ccccc2n1 67818383 ARAXSDPYQZOFDN-JTQLQIEISA-N 299.338 0.920 0 50 CCAA CC1(C)NC(=O)CC[C@@H]1NS(=O)(=O)c1ccoc1 352072514 WVEWIHYILGVFIZ-VIFPVBQESA-N 272.326 0.615 0 50 CCAA O=C(O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)Cc1ccccc1 65498765 IOEHKPUHUFMJEK-NWDGAFQWSA-N 299.348 0.426 0 50 CCAA CCOC(=O)C1=C(CN2C[C@H](C)OC[C@H]2C)NC(=O)NC1 252453062 ZBUXMWFSHDLJFY-ZJUUUORDSA-N 297.355 0.226 0 50 CCAA CC/C=C\CCCN1CCN2CCNC(=O)[C@@H]2C1 65432148 FHCXGYVUGNOYOV-SCOBNMCVSA-N 251.374 0.849 0 50 CCAA COc1ccc(CN2CCO[C@H](c3nncn3C)C2)cn1 328648059 UIYIDXLYQCDVFB-LBPRGKRZSA-N 289.339 0.792 0 50 CCAA CCN1CCN(C(=O)[C@@H](C)COC)C[C@@H]1c1ncc[nH]1 328642745 YLNBMNSNAYQNGN-NWDGAFQWSA-N 280.372 0.897 0 50 CCAA CCCC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 33359519 RLZGRHSNGOQFNI-UHFFFAOYSA-N 281.400 0.799 0 50 CCAA NC(=O)NCC(=O)N[C@@H](Cn1ccnc1)c1ccccc1 215423249 FBZXWHWEDRKRQI-LBPRGKRZSA-N 287.323 0.409 0 50 CCAA CC(C)(C)c1csc(CCNC(=O)[C@@H]2C[C@H](O)CN2)n1 236620817 INZBTFBHOFQLBX-UWVGGRQHSA-N 297.424 0.822 0 50 CCAA O=C(c1ccc(-n2cncn2)c(F)c1)N1CCNCC1 237909142 XDSJDTCYBFQIBN-UHFFFAOYSA-N 275.287 0.452 0 50 CCAA CCc1c(C)nn(CCNC(=O)c2cn[nH]n2)c1C 72145448 OIPXEQFUVCBCSL-UHFFFAOYSA-N 262.317 0.610 0 50 CCAA C[C@H](CN1CCCC1=O)N=c1ccnc(N(C)C)[nH]1 607143755 IAEFOEXNZVCWFP-SNVBAGLBSA-N 263.345 0.387 0 50 CCAA N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)Cc1noc2ccccc12 220282887 NJYWNBRRNLBBSI-KYQLBWAOSA-N 287.319 0.601 0 50 CCAA CC(C)c1cc(=O)n(C[C@@H](O)CN(C)C2CC2)cn1 290524028 CSBUEKVFXZXVDH-LBPRGKRZSA-N 265.357 0.822 0 50 CCAA O=C([C@H]1CCOC1)N1CCN(c2cccnc2)CC1 82109652 CMFVJORSWXXVIZ-LBPRGKRZSA-N 261.325 0.767 0 50 CCAA CCOC(=O)c1cnn(-c2ccc3nnc(C)n3n2)c1N 49550129 GYUXLJZDVZUPLL-UHFFFAOYSA-N 287.283 0.377 0 50 CCAA CCCCn1c(=O)c(=O)n(CC(=O)NC)c2ccccc21 40544755 CEUILJRYTVMPMR-UHFFFAOYSA-N 289.335 0.709 0 50 CCAA CCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1 40431374 HOSIMHOYKMEJOW-UHFFFAOYSA-N 289.353 0.061 0 50 CCAA O=C(O)[C@H]1CN(C(=O)[C@H]2COCCO2)c2ccccc21 132005581 ASTPMQHGOSYHTI-CMPLNLGQSA-N 277.276 0.617 0 50 CCAA COCCN1CCCn2nc(CCC(=O)O)cc2C1 199683122 FUQTXQJFRXCIOE-UHFFFAOYSA-N 267.329 0.752 0 50 CCAA CCn1cncc1CN=c1cc([C@H]2CCOC2)nc(N)[nH]1 426503932 DLGIGNRZFWCMQC-JTQLQIEISA-N 288.355 0.813 0 50 CCAA Cc1cc(CC(=O)N2CCC(n3cnnc3)CC2)on1 221156383 DCFKCLKSIFGUKF-UHFFFAOYSA-N 275.312 0.981 0 50 CCAA O[C@H]1COC[C@@H]1N1CCCN(Cc2nccs2)CC1 97495292 JQVPOQNYGYNCAL-RYUDHWBXSA-N 283.397 0.411 0 50 CCAA CC(C)N1CCC[C@H](C(=O)NCCCc2nn[nH]n2)C1 426628168 GPEVDFLGWQEFGF-NSHDSACASA-N 280.376 0.369 0 50 CCAA CNC(=O)[C@H]1CCN(c2nnc(C(C)(C)C)o2)C1 95368272 QFDLZXVTGOJONJ-QMMMGPOBSA-N 252.318 0.939 0 50 CCAA Cc1ccccc1[C@H](C(=O)NCC(=O)NC1CC1)N(C)C 95507468 UVAQNIFHLAGMDF-OAHLLOKOSA-N 289.379 0.993 0 50 CCAA CNC(=O)c1n[nH]c(-c2ccc(OC)c(OC)c2)n1 426612938 SMVNSGBQSCGTIZ-UHFFFAOYSA-N 262.269 0.849 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CCN1 179182790 DNDHECRJTRHIOP-IWSPIJDZSA-N 293.289 0.264 0 50 CCAA COCCC1CCN(C(=O)CCS(C)(=O)=O)CC1 529634255 XUYLRTCBHCQWKK-UHFFFAOYSA-N 277.386 0.696 0 50 CCAA CNC(=O)Cn1cc(NC(=O)c2cccnc2C)cn1 341854701 SMZFGVHZSWBXMJ-UHFFFAOYSA-N 273.296 0.585 0 50 CCAA N#Cc1cnc(N2CCC([C@H](O)C(N)=O)CC2)c(Cl)c1 299743977 NAMWVRSEEVFLKF-NSHDSACASA-N 294.742 0.669 0 50 CCAA COCC1(CNC(=O)[C@@H](C)N2CCCC2=O)CC1 534664694 GUWUQSDZMYHMOB-SNVBAGLBSA-N 254.330 0.540 0 50 CCAA Nc1nc(O)cc([C@H]2CCN(C(=O)C3(F)CC3)C2)n1 864842478 IIPASKKMBAAZRH-ZETCQYMHSA-N 266.276 0.582 0 50 CCAA Cc1cccnc1/C=C/C(=O)NCCc1nc(O)n[nH]1 1875260019 TYRQZXQEZHKGHL-SNAWJCMRSA-N 273.296 0.586 0 50 CCAA O=C(C[C@@H]1C(=O)Nc2ccc(F)cc21)NC1(CO)CC1 1875280424 IFULXQWXBGGCKD-JTQLQIEISA-N 278.283 0.893 0 50 CCAA COCCCC(=O)Nc1nc(C)c(S(N)(=O)=O)s1 952878713 IBYVDZDUAVTZPS-UHFFFAOYSA-N 293.370 0.464 0 50 CCAA COCCn1ncc(C(=O)N2C[C@@H]3CCC[C@]3(N)C2)c1C 876985564 RQQYCOVCMWGSNT-WFASDCNBSA-N 292.383 0.791 0 50 CCAA O=C(NCCCc1nc(O)n[nH]1)[C@@H]1CO[C@@H]2CCCC[C@H]12 1875311277 SHLUVLCGHIIDPC-GMTAPVOTSA-N 294.355 0.764 0 50 CCAA C=CS(=O)(=O)CCN1CC(=O)N[C@@H]2CCCC[C@H]21 1775994429 MJJRMFWBSWKEJW-GHMZBOCLSA-N 272.370 0.288 0 50 CCAA CO[C@H]1CCOC[C@@H]1n1cnc2cccnc2c1=O 1565516434 BJHGMOKMHKRHAH-QWRGUYRKSA-N 261.281 0.768 0 50 CCAA CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)O)C1=O 669371704 RRUHRBBZJQFVPQ-VIFPVBQESA-N 286.328 0.834 0 50 CCAA Cc1nocc1S(=O)(=O)N[C@@H](C)c1cnn(C)c1 632024196 GMJQVXNFTVEBQG-ZETCQYMHSA-N 270.314 0.756 0 50 CCAA O=C1NCCCC[C@H]1N1C(=O)C2(CCCC2)NC1=S 408522150 DXERZPYNLSEONN-SECBINFHSA-N 281.381 0.685 0 50 CCAA CC1CCN(CCCNC(=O)NC[C@H](C)O)CC1 170600083 ADBAZXFPFKTEPK-LBPRGKRZSA-N 257.378 0.788 0 50 CCAA COCc1nc(OC)cc(N2C[C@@H](O)C3(CC3)C2)n1 1325859365 RMDSFPOONIIVIO-SECBINFHSA-N 265.313 0.593 0 50 CCAA C1CCN(CCN2CCOC[C@]23CCOC3)CC1 193730678 FMKYKNGMSYVUBA-CQSZACIVSA-N 254.374 0.964 0 50 CCAA CCN1CC[C@H](CN(C)c2nc(N)c3cnn(C)c3n2)C1 1506422215 PDAWBKLLGHXZEU-SNVBAGLBSA-N 289.387 0.724 0 50 CCAA O=C1NC[C@H]2[C@@H]1CCCN2c1ncnc2scnc12 1857530374 CEMIGKJGMPGNGB-YUMQZZPRSA-N 275.337 0.801 0 50 CCAA O=C(O)[C@H]1CN(c2ncc(Cl)cn2)CC[C@H]1O 1704344509 OXMHHSYKDBREQR-JGVFFNPUSA-N 257.677 0.402 0 50 CCAA O=C(N=c1[nH]ncs1)N1CC[C@H](c2ncc[nH]2)C1 1875269383 KNALUNHGTPPAMQ-ZETCQYMHSA-N 264.314 0.705 0 50 CCAA CN(C)C(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)CC1 353798251 AGJRQKSYSMOTGJ-OPRDCNLKSA-N 252.314 0.291 0 50 CCAA NC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCCNC1 157404416 ALJPWPHQKGKCFV-MNOVXSKESA-N 268.361 0.035 0 50 CCAA Cc1cc(C(=O)O)nc(N[C@H]2CC=CC[C@@H]2C(N)=O)n1 1616070183 YHEMQQMOJIKSPQ-IUCAKERBSA-N 276.296 0.715 0 50 CCAA Cc1cccc([C@H](C)NC(=O)c2cnc(C(N)=O)cn2)n1 1772708097 DURACGUWAWNOMK-VIFPVBQESA-N 285.307 0.770 0 50 CCAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)NCCOC(C)C 12442999 QEMNRLQSIDELSB-CYBMUJFWSA-N 299.415 0.374 0 50 CCAA C[C@H]1CN(CC(=O)Nc2ccccc2C(N)=O)C[C@@H](C)O1 13320173 AFTBPQMZJVCHNZ-PHIMTYICSA-N 291.351 0.833 0 50 CCAA CCN1C(=O)N(C)C(=O)C12CCN([C@H](C)CO)CC2 14538684 UNKGYZZTRCHTOV-SNVBAGLBSA-N 269.345 0.116 0 50 CCAA COC[C@@H](O)CNCCc1ccc(OC)c(OC)c1 44125366 VOYCIJVEWNMLON-LBPRGKRZSA-N 269.341 0.843 0 50 CCAA C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ncnn1C 276699019 NNQHVPLAJBLSIW-MRVPVSSYSA-N 284.316 0.994 0 50 CCAA Cc1nc(CN2C(=O)NC3(CCNCC3)C2=O)co1 77388041 MVBGOHAXZUBWBP-UHFFFAOYSA-N 264.285 0.157 0 50 CCAA CNc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cn1 328018711 RVEPCNNIWDTEJT-DTWKUNHWSA-N 265.269 0.694 0 50 CCAA N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 328595732 CUYZXPOHTQCGSC-LOWDOPEQSA-N 268.357 0.520 0 50 CCAA CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1[C@@H]2CNC[C@@H]21 368213289 KDRJKGLTWGDQJA-PJXYFTJBSA-N 294.376 0.428 0 50 CCAA CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@H](N)C2)cc1 382421949 CCYNHFAOPHHFHZ-QWRGUYRKSA-N 297.380 0.204 0 50 CCAA O=C1CNCCN1Cc1nc(-c2ccc3nc[nH]c3c2)no1 843187577 HNFLZNNJAMVVFU-UHFFFAOYSA-N 298.306 0.545 0 50 CCAA CC1(C)[C@@H](NC(=O)c2cnn3c2C[C@H](N)CC3)C[C@H]1CN 2325799979 CHPNYJWIUUZHHK-CWSCBRNRSA-N 291.399 0.260 0 50 CCAA Cn1nccc1Cc1noc([C@@H]2CCc3nn[nH]c3C2)n1 952893769 JZBOBPRQGIUFHI-MRVPVSSYSA-N 285.311 0.785 0 50 CCAA CC[C@](C)(O)c1nnn(-c2nonc2N)c1[C@@](C)(O)CC 274477 PYZJFRNVKPZAAR-RYUDHWBXSA-N 296.331 0.468 0 50 CCAA CCOc1cncc(N2C[C@H](OC)C[C@H]2c2nc[nH]n2)n1 343338519 JNYJDFWAFZWSJB-ZJUUUORDSA-N 290.327 0.960 0 50 CCAA O=C(N[C@@]12CC[C@H](O)[C@@H](SC1)[C@H]2O)c1ccccc1 3172812 TWFRZCLIGNYBCR-SFTQSGBHSA-N 279.361 0.786 0 50 CCAA COc1cc(C(=O)N2CCC[C@](O)(C(N)=O)C2)ccc1C 225488007 IKJLBCDNHIGSMF-OAHLLOKOSA-N 292.335 0.456 0 50 CCAA NC(=O)[C@@]1(O)CCCN(CC[S@](=O)c2ccccc2)C1 346593747 UCCWCCOYSZLAIJ-VLIAUNLRSA-N 296.392 0.106 0 50 CCAA Cc1nc(NC(=O)CN2CCC(C(N)=O)CC2)sc1C 10505504 JMHMIXADDKLGKJ-UHFFFAOYSA-N 296.396 0.896 0 50 CCAA NC(=O)c1ccc(N2CCN(Cc3cncnc3)CC2)nc1 65461158 MWWZSGYHCFADHU-UHFFFAOYSA-N 298.350 0.293 0 50 CCAA CC(C)[C@H]1NC(=O)N(Cc2ncc3c(n2)CCOC3)C1=O 348356430 COEXXHWDUYZCAI-GFCCVEGCSA-N 290.323 0.626 0 50 CCAA Cc1ncccc1C(=O)N1Cc2cnn(CCO)c2C1 67851746 QCIRVSQTCYSUPO-UHFFFAOYSA-N 272.308 0.735 0 50 CCAA COc1ccc2[nH]nc(C(=O)N3CCOC[C@@H](O)C3)c2c1 77376733 NZENNHUAOMZCHM-VIFPVBQESA-N 291.307 0.405 0 50 CCAA C[C@@H]1C[C@@H](S(=O)(=O)N2CC[C@]3(CCOC3)C2)CCO1 329591609 NWCSNDZBVLAYJS-AGIUHOORSA-N 289.397 0.996 0 50 CCAA Cc1c[nH][nH]c1=NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 377734018 FGKPMWJUVPRTSR-LLVKDONJSA-N 299.334 0.522 0 50 CCAA NC(=O)[C@H]1CSCCN1C(=O)c1occ2c1CCOC2 376107999 ZNFYVJCJVXOJIU-SNVBAGLBSA-N 296.348 0.395 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2nccc(C(F)(F)F)n2)C1 284437829 FHOJZTKUJWYEFU-BQBZGAKWSA-N 290.245 0.574 0 50 CCAA CNCc1nnc(S[C@H](C)C(=O)N2CCCC2)n1C 426594816 KHMWDZRGSBTLPR-SECBINFHSA-N 283.401 0.638 0 50 CCAA Cc1ncn(CC(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3)c1C 221248022 DTKZIZZULYLPQD-OLZOCXBDSA-N 290.367 0.627 0 50 CCAA CCc1nc(N)nc(NC[C@H](O)CN(C)C)c1C 95362146 GEXNOOUCYFWSGS-VIFPVBQESA-N 253.350 0.264 0 50 CCAA Cc1ccn2c(C(=O)N(C)C[C@H]3CCOC3)nnc2n1 426667317 FRASOBDJWMVJQS-SNVBAGLBSA-N 275.312 0.541 0 50 CCAA Cc1ncc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)c(C)n1 96153995 UNNPOXLDMVADHB-WCQYABFASA-N 265.313 0.051 0 50 CCAA CNC(=O)C[C@@H](C)N(C)C(=O)c1cc(C)c(C)[nH]c1=O 97475422 GIVOVTUGGMXGIP-SECBINFHSA-N 279.340 0.588 0 50 CCAA O=c1cc(CN2CCC[C@]3(CCOC3)C2)[nH]c(=O)[nH]1 95360682 VLHSPEXSTZSJCH-ZDUSSCGKSA-N 265.313 0.066 0 50 CCAA COCCNC(=O)N1CCN(C(C)C)C[C@H](C(=O)O)C1 97805636 VQYBKQNNMRSTRR-NSHDSACASA-N 287.360 0.069 0 50 CCAA O=C([C@H]1CCCCN1)N1CCC[C@@H](Cn2cncn2)C1 237995559 RLFVGPJECIYLFE-CHWSQXEVSA-N 277.372 0.659 0 50 CCAA CC(C)c1cncnc1N1CC[C@@](C)(O)[C@@H](O)C1 96133472 XPXNYRJHAUGHJG-WCQYABFASA-N 251.330 0.922 0 50 CCAA COc1cc(NC(=O)CN2CC(O)C2)cc(OC)c1 244787792 QDRUEQZQCXRWEY-UHFFFAOYSA-N 266.297 0.319 0 50 CCAA Cc1noc(-c2cncnc2NC[C@@H]2COCCO2)n1 252485128 GNWMJYNEBXDXQT-SECBINFHSA-N 277.284 0.662 0 50 CCAA Cc1cccnc1[C@@H](NC(=O)Cn1nnnc1C)C1CC1 534645942 NEPJVYOQZKLWOE-AWEZNQCLSA-N 286.339 0.952 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@H](C)C1CCN(C)CC1 534580305 BISJQVPIVMGPBQ-MRVPVSSYSA-N 251.334 0.573 0 50 CCAA O=C(COCc1ccccc1)NC1CCS(=O)(=O)CC1 357773650 UZISKFQUKAWFIK-UHFFFAOYSA-N 297.376 0.897 0 50 CCAA CC[C@@H](NS(=O)(=O)C1CC1)c1ncnn1CC 534590156 YNQJYGNHOZUXRK-SECBINFHSA-N 258.347 0.831 0 50 CCAA C[C@H](NS(=O)(=O)c1cccnc1)c1ncnn1C 276401112 AGPUXTXIKHRBJY-QMMMGPOBSA-N 267.314 0.250 0 50 CCAA CN(C)CCNS(=O)(=O)CC(=O)c1ccccc1 725375712 MWBZZDNAQUBKGA-UHFFFAOYSA-N 270.354 0.350 0 50 CCAA O=C(NCCN1CCC[C@@H](CO)C1)c1cncc(F)c1 828711166 MMKKCKJNYJMTTE-LLVKDONJSA-N 281.331 0.655 0 50 CCAA C/C=C/CN1CCC(CNC(=O)CN2CCOCC2)CC1 820394972 JKZBSHQSUJXQFJ-NSCUHMNNSA-N 295.427 0.723 0 50 CCAA Cc1cccc2ncn(C[C@@H]3CN(C)CCN3C)c(=O)c12 584903389 OEDAGYWLKFAPTA-ZDUSSCGKSA-N 286.379 0.951 0 50 CCAA CN1CCOC[C@H](Cn2cnc3cccnc3c2=O)C1 584899479 YYNXIOITYZEMKE-NSHDSACASA-N 274.324 0.370 0 50 CCAA COCCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]1C(=O)O 268908956 LYUAVUOJONFQKT-GHMZBOCLSA-N 267.281 0.975 0 50 CCAA CC(C)c1nc(CCNC(=O)[C@H](C)n2cnnn2)no1 670456722 MOEPQRNMLJKJSU-QMMMGPOBSA-N 279.304 0.099 0 50 CCAA Cc1ncc2c(n1)CC[C@@H](C(=O)OCc1cnn[nH]1)C2 1875287561 PCJRXXXKCWHSED-SECBINFHSA-N 273.296 0.751 0 50 CCAA CN(C(=O)c1cc(C2CC2)nnc1O)[C@H]1CCC(=O)NC1 1875359966 VBWUUGSGSMFTJN-VIFPVBQESA-N 290.323 0.410 0 50 CCAA CN(C(=O)c1cc(C2CC2)nnc1O)[C@@H]1CCC(=O)NC1 1875359965 VBWUUGSGSMFTJN-SECBINFHSA-N 290.323 0.410 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC2(CC1)C[C@H]2CO 1875365386 PSIRJSGKJPEBIH-NSHDSACASA-N 266.341 0.300 0 50 CCAA COc1ccc(CCN2C[C@H](n3ccnn3)[C@H](N)C2)cc1 952852664 HFBMGYALUIEFJL-CABCVRRESA-N 287.367 0.713 0 50 CCAA Cc1cccc(C(=O)N2CC3(C[C@@H](O)CNC3=O)C2)c1C 952880499 BNSDIZBMRIICHF-GFCCVEGCSA-N 288.347 0.626 0 50 CCAA CN1CC[C@](C)(CNC(=O)/C=C/c2cnc(N)nc2)C1 952979099 QWWWTIYNTYLSJN-RDFMZFSFSA-N 275.356 0.530 0 50 CCAA CCN(CCN1CCOCC1)C(=O)[C@H]1CC(C(C)C)=NO1 952860676 QZUKPQJHFPHYJC-CQSZACIVSA-N 297.399 0.968 0 50 CCAA O=C1NCC[C@@H]1NC(=O)C1(N2CCCC2)CCCCC1 952991054 OIUTZFFYJKBJHD-LBPRGKRZSA-N 279.384 0.790 0 50 CCAA Cn1cc(O[C@@H]2COC[C@@H]2NCc2nccn2C)cn1 888078163 SKCYRUKXQHCIAH-NWDGAFQWSA-N 277.328 0.090 0 50 CCAA C[C@]1(C(N)=O)CCN(c2ccnc(N3CCCC3)n2)C1 1775990579 CEOFEXOIFMAHME-AWEZNQCLSA-N 275.356 0.779 0 50 CCAA Cn1nc2c(c1C(=O)N[C@H]1COCC[C@@H]1O)CCCC2 1565514584 FJZSLCQBGXDZNE-RYUDHWBXSA-N 279.340 0.179 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)c1cccc(C)n1 1565513379 WAZIZXBJGWKECO-JQWIXIFHSA-N 250.298 0.924 0 50 CCAA O=S1(=O)CCc2nnc(Cc3ccccc3F)n2CC1 630950714 FLQQZAAGGXOGNP-UHFFFAOYSA-N 295.339 0.979 0 50 CCAA CCS(=O)(=O)N1CCOC[C@H]1c1nc(C)no1 408027425 LFXPXHWDHAHLEZ-QMMMGPOBSA-N 261.303 0.101 0 50 CCAA O=C(O)[C@@H](C1CC1)N1CCN(C(=O)CN2CCCC2)CC1 635018377 ZKVBKTSCZWFHOK-CQSZACIVSA-N 295.383 0.090 0 50 CCAA CN1CC[C@@](C)(C(=O)N2CC(OC(F)F)C2)C1=O 635831538 ZIQYLOVXFRCVJN-LLVKDONJSA-N 262.256 0.305 0 50 CCAA O[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@H]1n1ccnn1 639743241 YECRBUYEOXSBSB-GMTAPVOTSA-N 272.299 0.931 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)C1CC=CC1 643942181 XQZZGBHEGQJDGL-CYBMUJFWSA-N 252.314 0.446 0 50 CCAA O=C(CN1CCNCC1=O)N1CCC(C2CCCC2)CC1 648095322 DASDUIGTUKKFNN-UHFFFAOYSA-N 293.411 0.847 0 50 CCAA CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NC(C)=O 675861061 CEILDPXROWGRKC-RYUDHWBXSA-N 276.402 0.961 0 50 CCAA Cc1cccnc1CN1CCC[C@@](O)(c2cnn[nH]2)C1 583617401 GVVDUILQCKJACZ-AWEZNQCLSA-N 273.340 0.992 0 50 CCAA C[C@H](OC(=O)[C@H](O)[C@H](C)c1ccccc1)C(N)=O 584907043 CYCAVHSQBHOIGN-WCABBAIRSA-N 251.282 0.568 0 50 CCAA CC(C)c1nccc(N2CC[C@@](O)(Cn3ccnn3)C2)n1 794048961 FAWNMIYCRFCULH-AWEZNQCLSA-N 288.355 0.833 0 50 CCAA COCCN1CCC[C@@H](CNc2cnc(C(=O)O)cn2)C1 1506401864 GMXICZGEIWNYFU-NSHDSACASA-N 294.355 0.945 0 50 CCAA Cc1cc(O)cc(=O)n1C[C@H]1CCS(=O)(=O)C1 1547200767 DWXNNOOKNPGWES-SECBINFHSA-N 257.311 0.297 0 50 CCAA CCCc1cnc(C)nc1NC[C@@]1(O)CCNC1 1704324611 BEAWSUGPPHEVBV-CYBMUJFWSA-N 250.346 0.874 0 50 CCAA O=C(C1CCOCC1)N1C[C@H](Cc2ccncc2)[C@@H](O)C1 1616070155 DUQUOMAWWAXMRU-GJZGRUSLSA-N 290.363 0.870 0 50 CCAA CCCCS(=O)(=O)N[C@H]1CCC(=O)NC12CCC2 374743519 JRUHXLRZYFXZKF-JTQLQIEISA-N 274.386 0.907 0 50 CCAA COCc1nnc(N2CCCN3CCC[C@H]3C2)o1 1772710747 DZAKUSOIRYZNFI-JTQLQIEISA-N 252.318 0.891 0 50 CCAA c1cnc(N2CCCN(CC[C@H]3COCCO3)CC2)nc1 1775980597 DVKXENRWZNPFRM-AWEZNQCLSA-N 292.383 0.794 0 50 CCAA COc1ccc(CN2CCNC[C@@H]2CCO)c(F)c1 19368020 PZOZDPRPIPIBPY-LBPRGKRZSA-N 268.332 0.991 0 50 CCAA COc1ccc(CN[C@@H]2CN(C)C[C@H]2O)c(OC)c1C 1857723129 UYEIZFIPJGVCNO-CHWSQXEVSA-N 280.368 0.777 0 50 CCAA O=C(NC[C@@H](CCO)c1ccccc1)[C@@H]1CCNC1 262625125 IOWCSIGSNKHUGH-ZIAGYGMSSA-N 262.353 0.878 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)CCn2nc(C)cc2C)C1 910218978 LJXSKKSOQMREOG-AWEZNQCLSA-N 295.339 0.592 0 50 CCAA CC1CCN(C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)CC1 225673116 SQKQOTLWSAGPAN-WYUUTHIRSA-N 265.309 0.899 0 50 CCAA CNC(=O)c1ccc(CNC(=O)[C@H](O)CCSC)cc1 299787782 ZJMUEJXBRVJNHH-GFCCVEGCSA-N 296.392 0.776 0 50 CCAA O=C(N[C@@H]1CCNC[C@H]1O)c1ccc(F)c(F)c1 77385857 FUXPFEYLESBARY-GHMZBOCLSA-N 256.252 0.417 0 50 CCAA O=C(N1CCCC2(CC1)CC2)[C@]1(O)CCCNC1 638757722 ZHSWZBVRVNORCY-AWEZNQCLSA-N 252.358 0.894 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC1CSCCSC1 670455861 XKCWSIRGBBQEDO-NXEZZACHSA-N 297.467 0.237 0 50 CCAA COCc1nn(Cc2c(F)cncc2F)c(=O)o1 901509341 NDPGTEVRWNKEIW-UHFFFAOYSA-N 257.196 0.704 0 50 CCAA Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)C2)cc1 189505 NHUMPAWTXCWNEB-UHFFFAOYSA-N 268.338 0.670 0 50 CCAA C[C@@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1 3002686 OWPJUQYIZIVGAO-SSDOTTSWSA-N 256.689 0.776 0 50 CCAA CCNC(=O)CN1C[C@@H](OC)C[C@H]1CN1CCCC1 348004459 DVTBKXKPZMGPSI-STQMWFEESA-N 269.389 0.308 0 50 CCAA CCc1ccccc1OC1CN(C(=O)Cc2nnn[nH]2)C1 67774872 UNKXOYUBRNQOGP-UHFFFAOYSA-N 287.323 0.594 0 50 CCAA CN1N=C(C(=O)N[C@H]2CCN3CCCC[C@@H]23)CCC1=O 229385809 KINIVKDWZPQWBV-JQWIXIFHSA-N 278.356 0.338 0 50 CCAA COCc1ncc(CN2CC[C@H]3CC[C@@H](C2)N3)cn1 65410424 IXNIQPRPZLQONM-OLZOCXBDSA-N 262.357 0.949 0 50 CCAA CN1CCC(O)(CNC(=O)NC[C@@H]2CC2(C)C)CC1 331590279 XGWYLTUSCNWSPF-NSHDSACASA-N 269.389 0.788 0 50 CCAA Cc1cc2c(N(C)C[C@H]3CCS(=O)(=O)C3)nccn2n1 330115149 TYLNJDOOXVZOPK-LLVKDONJSA-N 294.380 0.909 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1cc(-n2cccn2)ccn1 125146765 AATMLEKDYCJIDE-LLVKDONJSA-N 271.324 0.701 0 50 CCAA Cc1noc(C)c1CC(=O)N1CCOC[C@@H](CO)C1 77452227 JTZWURDONREARS-LLVKDONJSA-N 268.313 0.301 0 50 CCAA CC(C)[C@H]1CN(CC(N)=O)CCCN1CC1CC1 71753245 RBVAQSWEFLCDIP-CYBMUJFWSA-N 253.390 0.914 0 50 CCAA C[C@H](C(=O)N1CCOC[C@H]1CC(=O)O)n1cccn1 128208928 LFSYTMXCCOARPW-NXEZZACHSA-N 267.285 0.146 0 50 CCAA Cc1cc(CC(=O)N2CCO[C@H](CC(=O)O)C2)no1 262054585 GAJIAPXHNAQKCP-SNVBAGLBSA-N 268.269 0.228 0 50 CCAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)C(N)=O)cc1 71752616 BCQZOKHZQVDVBK-CYBMUJFWSA-N 275.352 0.897 0 50 CCAA Cc1nc(SCCNC(=O)Cc2nonc2C)n[nH]1 214996139 RERIUJKJHKGJOR-UHFFFAOYSA-N 282.329 0.256 0 50 CCAA Cc1nc(C[C@H]2CCCN(C(=O)[C@@H]3CSCN3)C2)no1 158640882 SBSWZUMQHTWDPY-MNOVXSKESA-N 296.396 0.822 0 50 CCAA CN1Cc2ccccc2C[C@@H]1CNC(=O)c1c[nH]c(=O)[nH]1 216530823 CEOQTCOYMDPAER-GFCCVEGCSA-N 286.335 0.490 0 50 CCAA O=C(NCCN1CCCC1)c1cnc(Cl)cn1 40451263 WAGRVYYIQAZFCU-UHFFFAOYSA-N 254.721 0.956 0 50 CCAA CN1C[C@H](C(=O)NCc2ncc(Cl)cn2)CCC1=O 426689991 WTVCYRRKBJHOIF-MRVPVSSYSA-N 282.731 0.615 0 50 CCAA CN(C)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 238881684 AYQMWMHKOGXDJB-GAIPPQHRSA-N 262.309 0.272 0 50 CCAA O=C(Cn1ccnn1)N1CC[C@@H](Oc2ccccc2)C1 426489848 BRMQORBPKDCLAN-CYBMUJFWSA-N 272.308 0.958 0 50 CCAA CC(C)[C@]1(O)CN(CC(=O)N2CCOCC2)C[C@H]1C 91769545 GZOJFKVPKARXPC-TZMCWYRMSA-N 270.373 0.184 0 50 CCAA Cn1cc(CNc2cc([C@H]3CCOC3)ncn2)cn1 426445647 QLMYZJUQPIOZON-NSHDSACASA-N 259.313 1.326 0 50 CCAA O=C(NC[C@H]1CCCCO1)c1cnc2ccccn2c1=O 140424041 FKGALBVSJOXRST-LLVKDONJSA-N 287.319 0.993 0 50 CCAA CC(C)[C@]1(O)CN(C(=O)CCCn2cncn2)C[C@H]1C 91550995 YCPYIWGLCXQPEH-TZMCWYRMSA-N 280.372 0.924 0 50 CCAA CC(C)n1cnnc1CN1CCN(c2nc[nH]n2)CC1 243901234 BACLTSXEMVNOAS-UHFFFAOYSA-N 276.348 0.299 0 50 CCAA COCCOC1CCN(C(=O)[C@@H](C)Cn2cncn2)CC1 244898856 ZCWDYBHNJVTRIG-LBPRGKRZSA-N 296.371 0.568 0 50 CCAA Cn1cc([C@H](NC(=O)CN2CCCC2)[C@H]2C[C@@H](O)C2)cn1 244690954 JABCGJGBAQVCBA-OSAQELSMSA-N 292.383 0.444 0 50 CCAA NC(=O)C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2N)C1 299738531 CAGOCBQMOMPFPK-GARJFASQSA-N 253.346 0.228 0 50 CCAA Cn1cnnc1CCC(=O)N[C@@H](c1nccn1C)C1CC1 534652434 PUOJYXIZTYEOSA-CYBMUJFWSA-N 288.355 0.749 0 50 CCAA CN(C)C(=O)CN1CCCN(C(=O)C2CCOCC2)CC1 363717226 GXPYZMNCDADBGS-UHFFFAOYSA-N 297.399 0.036 0 50 CCAA CN(C)C(=O)NCC(=O)N[C@H]1CCN(C(C)(C)C)C1 584899704 VYPFPVPNUWIGBV-JTQLQIEISA-N 270.377 0.247 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CN1Cc1ncc(C)s1 185534023 KIFWLFTUPVDCIJ-RKDXNWHRSA-N 256.327 0.560 0 50 CCAA CN(CCNC(=O)COC[C@@H]1CCCO1)c1ccccn1 1875275203 ZZXCYTBZAJWWDZ-ZDUSSCGKSA-N 293.367 0.830 0 50 CCAA Cc1c(C(=O)N[C@@H]2CC(=O)NC2=O)cnn1CCC(C)C 1875295563 JURPFZHRNQOYOE-LLVKDONJSA-N 292.339 0.383 0 50 CCAA CN(Cc1nnc(N2CCOCC2)o1)C1CCOCC1 1875292157 YQNOOXJHOWYEGZ-UHFFFAOYSA-N 282.344 0.517 0 50 CCAA CCCN1C[C@H](NCc2nccn2CCOC)CC1=O 952967101 LWRZNDHPAUVZJB-GFCCVEGCSA-N 280.372 0.630 0 50 CCAA CO[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 888097468 KQSMJSJWLAICFF-OPRDCNLKSA-N 277.342 0.290 0 50 CCAA CN(C)S(=O)(=O)NC1CN(c2nc3ccccc3[nH]2)C1 1775991322 RFOMCYNIEQJZQG-UHFFFAOYSA-N 295.368 0.148 0 50 CCAA O=C(Nc1nc[nH]n1)c1cnc(C2OCCO2)s1 1325316028 NHOQDQBVGPQRIC-UHFFFAOYSA-N 267.270 0.559 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cn(C)cn2)C1 644120368 ZAFURMIKIWTZGX-KOLCDFICSA-N 275.312 0.745 0 50 CCAA C[C@@H]1CN(C(=O)c2ccccn2)C[C@H](C(=O)O)O1 659162535 JGBCGWRAKHKWTF-PSASIEDQSA-N 250.254 0.396 0 50 CCAA C=CC(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 585086840 COVUAZPASMLUHV-NSHDSACASA-N 250.302 0.308 0 50 CCAA CC[C@H]1C(=O)NCCN1C[C@@H](OC)C1CCOCC1 585116922 MKLHGQWUQGGDDS-QWHCGFSZSA-N 270.373 0.638 0 50 CCAA COC[C@@H]1CN(CCn2cccn2)C[C@H]1c1cnn(C)c1 585655520 GGNRFAZIRJYCAZ-GJZGRUSLSA-N 289.383 0.979 0 50 CCAA COCCN1CC[C@@H](CN(C)Cc2nc(C)no2)C1 1506403660 TUEZRVIMNCOFPT-LBPRGKRZSA-N 268.361 0.778 0 50 CCAA CCN1C[C@H](C(=O)Nc2nonc2NC(C)=O)CCC1=O 1529172881 SETYWPRIHXVAGL-MRVPVSSYSA-N 295.299 0.225 0 50 CCAA COc1nc(N2C[C@@H]3CCOC[C@]3(CO)C2)ncc1F 1857668914 QLNJZSHIPFPFAU-TVQRCGJNSA-N 283.303 0.460 0 50 CCAA COC[C@H]1CCCCN1C(=O)CCc1nc[nH]n1 622669813 GQDPTTQEZDNDCD-SNVBAGLBSA-N 252.318 0.765 0 50 CCAA Cc1ncc(Cl)c(NCCN2CCNCC2)n1 1772806245 AFRXOXPTNRRWGX-UHFFFAOYSA-N 255.753 0.756 0 50 CCAA O=C(NC1CCC1)c1cc(CN2CCC[C@H](O)C2)on1 12430786 PVMDYPAKXZLGKI-NSHDSACASA-N 279.340 0.914 0 50 CCAA CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)O)C1=O 12648579 UYBMLDXQOFMMED-ZETCQYMHSA-N 258.274 0.197 0 50 CCAA Cc1cccc2[nH]c(CNC(=O)CNC(N)=O)nc12 155275676 WBKANUWRAZBKQZ-UHFFFAOYSA-N 261.285 0.156 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@](C)(O)[C@H](O)C1 248005104 BSWGEMGNRFVFFE-HIFRSBDPSA-N 295.383 0.314 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cn(C(C)C)nn1 349011858 VWCZADPDMGBOOC-GFCCVEGCSA-N 293.371 0.846 0 50 CCAA COC(=O)COc1ccc(OCC(=O)OC)cc1 20220539 ILUGKFJEEHCOJJ-UHFFFAOYSA-N 254.238 0.790 0 50 CCAA in-vitro Cc1ccc(S(=O)(=O)N2CCN[C@H](C)C2)cc1 34436259 KVFXTJXVCJULLQ-LLVKDONJSA-N 254.355 0.977 0 50 CCAA in-vitro Cc1nc(C)c(C(=O)N2CCC([C@H](O)CO)CC2)s1 1772710558 BSCLRAIQMZXKQV-LLVKDONJSA-N 284.381 0.965 0 50 CCAA O=C1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 20722033 LHMJAZZHWPWDMN-UHFFFAOYSA-N 271.280 0.467 0 50 CCAA CN(C)[C@H]1CN(CCOc2ccccc2)C[C@@H]1O 244817177 SVNTXXAUUHNYFB-KBPBESRZSA-N 250.342 0.672 0 50 CCAA O=C(O)[C@H]1COCCN(CCn2cc(Cl)cn2)C1 700435690 UJPGONARZQJICQ-SECBINFHSA-N 273.720 0.570 0 50 CCAA NC[C@H]1CN(c2nc(Cc3ccc(F)cc3)no2)CCO1 2325752847 SHWPXAQTNZSQRP-LBPRGKRZSA-N 292.314 0.963 0 50 CCAA O=C1c2ccccc2[C@](O)(c2ncc[nH]2)N1CCO 434621 FPKGFACPCBWBPQ-ZDUSSCGKSA-N 259.265 0.051 0 50 CCAA Nn1c(SCc2ccccc2F)nncc1=O 959726 BNIVSLYJWHYQQA-UHFFFAOYSA-N 252.274 0.784 0 50 CCAA COC(=O)[C@H]1C[C@H](N)CN1C(=O)OCc1ccccc1 2382488 DMYAHNRIJNKMAH-NWDGAFQWSA-N 278.308 0.898 0 50 CCAA Nc1cc(N)nc(SCC(=O)Nc2nccs2)n1 2843301 FCHIFJGHZDEOMM-UHFFFAOYSA-N 282.354 0.828 0 50 CCAA COc1cccc(OC[C@H](O)CS(=O)(=O)O)c1 3130439 OIJVXSUXLHQOBT-QMMMGPOBSA-N 262.283 0.323 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)NCc1ccccn1 6700026 MVXLFNJXDPXVGI-UHFFFAOYSA-N 266.326 0.602 0 50 CCAA CC(=O)NCc1nc(-c2c(C)ncc3c2CCNC3)no1 20204541 NGIWPMBQPXPPLE-UHFFFAOYSA-N 287.323 0.722 0 50 CCAA CCOC(=O)CCNC(=O)N1CC[C@@H]2CC[C@H](C1)N2C 67955837 SPMQSCUUNVVBGR-NWDGAFQWSA-N 283.372 0.818 0 50 CCAA CCc1nc(C)c(CN2CCN(C)[C@@H](C(=O)O)C2)[nH]1 216502726 XJTQHOJUZWHJNU-LLVKDONJSA-N 266.345 0.481 0 50 CCAA COc1ccsc1S(=O)(=O)NC(C)(C)CN 123732714 IQZMXMGWNCYBFD-UHFFFAOYSA-N 264.372 0.772 0 50 CCAA CN1CCO[C@@H]2CN(C(=O)c3ocnc3C3CC3)C[C@@H]21 329631597 IFOWMTRDPKTGIL-WDEREUQCSA-N 277.324 0.707 0 50 CCAA C[C@]12CCCN1C(=O)N([C@@H]1CCN(C3CC3)C1=O)C2=O 253630308 ZOHGBCPODKYNCW-QMTHXVAHSA-N 277.324 0.566 0 50 CCAA CCN1CCCC[C@@H]1C(=O)NC[C@H](O)c1nccn1C 39500766 OUUPUFBBIBINGK-NEPJUHHUSA-N 280.372 0.444 0 50 CCAA NC(=O)c1ncn([C@@H]2CCCN(c3ccccn3)C2)n1 364527237 FOGZCZZUECUIPH-SNVBAGLBSA-N 272.312 0.614 0 50 CCAA COC[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccnn1C 215814269 KZHINSDRUJMESE-LLVKDONJSA-N 289.339 0.749 0 50 CCAA COC[C@]1(C(=O)O)CCCN(C(=O)[C@H](C)n2cccn2)C1 262806915 DBEHQYKYUCWOGC-FZMZJTMJSA-N 295.339 0.784 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC([C@@H]2CCOC2)CC1 369908547 MZPOBJCKTJLMEC-CYBMUJFWSA-N 280.368 0.954 0 50 CCAA CN(C)c1cc(NCCN2CCC[C@H](C(N)=O)C2)ncn1 32529673 WQJXZVDJESDLBY-NSHDSACASA-N 292.387 0.152 0 50 CCAA Cc1ccc(N2CC[C@@H](C(=O)NCCC(=O)O)C2=O)cc1 237783647 LBCNGVMHUWAFMP-LBPRGKRZSA-N 290.319 0.939 0 50 CCAA COc1ccc(S(=O)(=O)NCC(=O)O)c(C)c1F 262406505 KTHYJPMJHSTXPS-UHFFFAOYSA-N 277.273 0.506 0 50 CCAA O=C(NC[C@@H](O)[C@H]1CCOC1)[C@@]12CCCC[C@H]1CNC2 262505936 JDWWMBYZKBNXBU-RMRHIDDWSA-N 282.384 0.280 0 50 CCAA CCN1CCO[C@@H](C(=O)Nc2cccc3c2CNCC3)C1 375957075 GZFBBWRTEJLNEU-OAHLLOKOSA-N 289.379 0.992 0 50 CCAA CO[C@H]1CN(C(=O)c2nn(C)c3ccccc23)CC[C@H]1N 71762682 FQOQHCIVPKMDIC-YPMHNXCESA-N 288.351 0.762 0 50 CCAA COC[C@H]1[C@@H](NC(=O)C(=O)c2cccnc2)[C@@H]2CCO[C@@H]21 223524065 MLNBVZDARHEZLG-MNXVOIDGSA-N 290.319 0.430 0 50 CCAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccnc2)C1 40496329 JPZOALYNQOXSDN-SNVBAGLBSA-N 283.353 0.692 0 50 CCAA Cc1nnc([C@@H](C)NC(=O)C(=O)c2cccn2C)o1 223694467 GGEFLYRJDOWBBP-SSDOTTSWSA-N 262.269 0.777 0 50 CCAA C[C@@H]1CN(c2ncnc(-n3cccn3)c2N)CCCO1 178620150 IVBCWTIDYUXNJZ-SNVBAGLBSA-N 274.328 0.860 0 50 CCAA COc1ccc(C(=O)N2CC[C@@H](N)[C@H](O)C2)cc1Cl 82109011 FKSRZDNZJGYMDL-GHMZBOCLSA-N 284.743 0.883 0 50 CCAA O=C(O)c1ccc(CN2CCC[C@@H](CO)C2)nc1 94762236 MHWQKCVKHUBHQZ-SNVBAGLBSA-N 250.298 0.984 0 50 CCAA O=C1COc2cc(C(=O)NCCc3cnn[nH]3)ccc2N1 426519036 XCVLDPLHFMOMHW-UHFFFAOYSA-N 287.279 0.108 0 50 CCAA CCC1(O)CN(C(=O)Nc2ccnc(OC)n2)C1 294080847 AYBJTLIDROCCJE-UHFFFAOYSA-N 252.274 0.474 0 50 CCAA CCCO[C@H](C)CNC(=O)Cn1ccccc1=O 97759499 QTMDOOJEULPYIT-LLVKDONJSA-N 252.314 0.780 0 50 CCAA COCCN1C[C@H](Cc2cc(OC)nc(OC)n2)CC1=O 244811363 SBMKROYHZWSVAU-SNVBAGLBSA-N 295.339 0.531 0 50 CCAA CCCCN1CCN(Cc2nc(C)nn2C)CC1=O 244584413 CYXCFJDACVFRGK-UHFFFAOYSA-N 265.361 0.568 0 50 CCAA CN(C)C1=N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C(=O)N1 255190796 ZNDPYMCCPVUIBW-ZIAGYGMSSA-N 286.379 0.925 0 50 CCAA O=C(c1nc[nH]n1)N1CCN(c2nc3ccccc3o2)CC1 269543563 MGONNBVYQRBWHW-UHFFFAOYSA-N 298.306 0.908 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1cncc(O)c1 534639971 OHVDXOIXQVTDEZ-STQMWFEESA-N 277.324 0.380 0 50 CCAA CN(Cc1cnc(NCC(=O)O)nc1)CC1(C)COC1 534577604 DCPPWYDJOJNISM-UHFFFAOYSA-N 280.328 0.441 0 50 CCAA CCc1ccc(Cn2nc(CC(N)=O)nc2[C@@H](C)O)cc1 823517645 WCTIRFKJMRJZFP-SNVBAGLBSA-N 288.351 0.970 0 50 CCAA CN1CC[C@H](NC(=O)CN2CCCCCCC2)C1=O 584896210 QBSAEQQOJMMMGE-LBPRGKRZSA-N 267.373 0.599 0 50 CCAA COCCN1CC[C@H](CNC(=O)c2cnc(N)s2)C1 824412381 LBUYUQKBPKLBHF-SECBINFHSA-N 284.385 0.423 0 50 CCAA Cc1cccnc1C[C@@H](C)NC(=O)CCNS(C)(=O)=O 821477567 FTMUGHOSBWVUNZ-LLVKDONJSA-N 299.396 0.377 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NCCc1ncnn1C 827847797 VBFUAIPRJOTLPG-UHFFFAOYSA-N 262.317 0.056 0 50 CCAA CN(C[C@H]1CCOC1)C(=O)CSc1nncn1C 584889582 NIALDZJIUPBLCJ-SECBINFHSA-N 270.358 0.402 0 50 CCAA COCC1(CNC(=O)CCCn2cncn2)CCC1 670469490 GQNPYRSFVQRVDL-UHFFFAOYSA-N 266.345 0.991 0 50 CCAA Cc1[nH]nc(C2CC2)c1C(=O)NC[C@@H]1COCCN(C)C1 670445339 XLAARRYVOKEVDX-NSHDSACASA-N 292.383 0.904 0 50 CCAA NC[C@@H](O)CNC(=O)c1ccc(C(F)(F)F)[nH]1 1875293739 AQPVIJKOAHVCAF-RXMQYKEDSA-N 251.208 0.083 0 50 CCAA Cc1cc(O)nc(N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)n1 1875399302 VLVIQCFTPNSNRS-QJPTWQEYSA-N 289.339 0.939 0 50 CCAA CC1(C(=O)N[C@@H](CCO)C(=O)O)Cc2ccccc2C1 1875313583 PYOJUUAULDZISX-LBPRGKRZSA-N 277.320 0.743 0 50 CCAA OC[C@@H]1CN(Cc2cnc(C3CC3)o2)CC[C@H]1O 1335329517 KRUHITGIMQQLSZ-CMPLNLGQSA-N 252.314 0.727 0 50 CCAA CN(CCCNS(=O)(=O)c1ncc[nH]1)c1ccccn1 1775986746 WNACVEPLFSFOLO-UHFFFAOYSA-N 295.368 0.610 0 50 CCAA COCC[C@H](C)CNC(=O)N(C[C@H](C)O)[C@H](C)CO 1365647368 QCHIQVUGIGMALW-TUAOUCFPSA-N 276.377 0.432 0 50 CCAA O=C(Cc1cc(F)c(F)c(F)c1)N[C@@H]1CNCC[C@@H]1O 1565526665 ZKHQXZWQCFVWRP-MNOVXSKESA-N 288.269 0.485 0 50 CCAA CCOc1ccc(N2C(=O)[C@@H]3C[C@@H](O)CN3C2=O)cc1 278182852 VNBIJOZGRYPNOG-PWSUYJOCSA-N 276.292 0.987 0 50 CCAA Cc1nc(C)c(C(=O)N2CC[C@H](S(C)(=O)=O)C2)nc1C 407967746 RAWXHCFABFLXGT-NSHDSACASA-N 297.380 0.661 0 50 CCAA CC(C)(O)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 408051793 LRXKWSVXFAXNBN-QJPTWQEYSA-N 271.357 0.536 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1COCCO1 221724173 LKQAKFJOUMNITL-BJDJZHNGSA-N 283.324 0.646 0 50 CCAA C[C@@H]1C(=O)NCCN1C(=O)CC(C)(C)CC(=O)O 110659473 OVKYNJNFAJHSIE-MRVPVSSYSA-N 256.302 0.224 0 50 CCAA CC[C@]1(O)CCN(c2nc(O)c3cnn(C)c3n2)C1 681674774 SOBGORVKDVCXKQ-LBPRGKRZSA-N 263.301 0.420 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)Nc1ccc(F)cn1 644318266 OCQHDBJHGSLSJZ-JTQLQIEISA-N 281.287 0.533 0 50 CCAA COc1ccc(S(=O)(=O)N[C@@H]2CCOC2)cn1 195432276 HLMJDUPUTSZRQF-MRVPVSSYSA-N 258.299 0.157 0 50 CCAA C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccccn1 195555177 FCKLUGLMINZLSO-QWRGUYRKSA-N 269.370 0.972 0 50 CCAA C[C@@H]1C(=O)N(C)CCN1C(=O)[C@H]1CC[C@H](O)CC1 1506406277 GEQVHBZPUNNHFV-GMTAPVOTSA-N 254.330 0.227 0 50 CCAA CN(C)C(=O)c1cccc(NC[C@@](C)(O)CCCO)n1 1506431552 OQSXIIPTYUPNAF-AWEZNQCLSA-N 281.356 0.719 0 50 CCAA Cc1ncc(C(=O)N[C@H]2COC3(CCNCC3)C2)cn1 1506408712 ZMZLCYYZGUOHOC-GFCCVEGCSA-N 276.340 0.426 0 50 CCAA NCCCN1C(=O)CC[C@@H]2CN(Cc3cnc[nH]3)CC[C@@H]21 215630887 DOSLGGPMRHYJLL-OCCSQVGLSA-N 291.399 0.571 0 50 CCAA CC(=O)NC1CN(C(=O)c2onc3c2CCCC3)C1 613851300 NNSASWWWTOGWFR-UHFFFAOYSA-N 263.297 0.514 0 50 CCAA O=C(NCCC(=O)N1CCN[C@@H]2C[C@H]21)OCC(F)(F)F 1616039869 XKNXLNICUZNDRH-HTQZYQBOSA-N 295.261 0.238 0 50 CCAA CCn1cc(CC(=O)N[C@@H]2C[C@H](N)C23CCC3)nn1 1615555235 OTYFDWFQBRVYEW-WDEREUQCSA-N 263.345 0.227 0 50 CCAA C=CS(=O)(=O)CCN1CCC[C@H]2C(=O)N(C)C[C@H]21 1615549086 KFOHDDBYHGBATG-GHMZBOCLSA-N 272.370 0.097 0 50 CCAA COCc1noc(CNc2ncc(F)c(N(C)C)n2)n1 1772704214 KSXCBSNRZYOCJX-UHFFFAOYSA-N 282.279 0.823 0 50 CCAA Cc1nsnc1C(=O)N1CCC([C@@H](O)CO)CC1 1772712550 UMDLGQIBUPAXJG-VIFPVBQESA-N 271.342 0.052 0 50 CCAA OCCOc1ccccc1CN1C[C@H]2[C@H](C1)C2(CO)CO 1772812623 MORUHBNQEGSMLG-KBPBESRZSA-N 293.363 0.090 0 50 CCAA CN1CC[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]2C1=O 1772814251 PWORXXXXDLVPDQ-KOLCDFICSA-N 288.351 0.449 0 50 CCAA CN1CC[C@H](C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)CC1=O 249648038 YASLZDGAFKILTG-FZGPNCDPSA-N 278.352 0.083 0 50 CCAA CN1CCO[C@H](C(=O)N(C)C[C@H]2CCc3nccn3C2)C1 328623151 IYFVVQYTPPMZQJ-OLZOCXBDSA-N 292.383 0.235 0 50 CCAA C[C@@H]1C[C@@H](C(=O)N2CCC(n3cnnc3O)CC2)CO1 655042153 GFNHSQSPLGMBIE-NXEZZACHSA-N 280.328 0.572 0 50 CCAA CN(C)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 252494281 NQRQUHABAYBLIM-UHFFFAOYSA-N 289.401 0.558 0 50 CCAA CCN1CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)O)CC1 6725398 LZAFQRGCPDCCGE-RYUDHWBXSA-N 266.341 0.818 0 50 CCAA CN1CCCC[C@H](C(=O)Nc2ncccc2CO)C1=O 827309385 ZATBROYDCARHEK-LLVKDONJSA-N 277.324 0.771 0 50 CCAA O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCOC[C@H]1O 219306551 DBYLMNBUAQQWSD-ZIAGYGMSSA-N 274.320 0.976 0 50 CCAA CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1 171486857 NUWGMVVHLTZRJB-NSHDSACASA-N 273.296 0.309 0 50 CCAA Cc1nn(C)cc1CN1CCC2(CC1)C[C@@H](O)CO2 97514336 KRHSPGOZDZSCSO-CYBMUJFWSA-N 265.357 0.844 0 50 CCAA Cc1noc(CSc2nnc(CCN)n2C)n1 426359642 OVLREMRNQSYVST-UHFFFAOYSA-N 254.319 0.300 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1ccnn1C 643878115 JVPNPWWQBJAERE-GFCCVEGCSA-N 253.302 0.486 0 50 CCAA Cc1nnc(CN(C)C[C@@H]2CC(=O)N(C)C2)s1 823717517 GPKZRNAANVXFJE-VIFPVBQESA-N 254.359 0.757 0 50 CCAA NCC1CC(C(=O)Nc2cccc3c2CCNC3=O)C1 2325796152 WLSXIDFJVBUVOH-UHFFFAOYSA-N 273.336 0.896 0 50 CCAA COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC 2528581 DFXUYFITVOWQNH-ZETCQYMHSA-N 261.274 0.616 0 50 CCAA NCCCCC[C@@]1(c2ccco2)NC(=O)NC1=O 6658170 ISATXHUOALZJSP-LBPRGKRZSA-N 251.286 0.833 0 50 CCAA CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1OC 10008862 UQAHYLZRWJBNMN-UHFFFAOYSA-N 286.353 0.695 0 50 CCAA CC(=O)c1ccc(OCC(=O)NC[C@@H]2COCCO2)cc1 55844869 BLCMKDFQGPHZDL-CQSZACIVSA-N 293.319 0.800 0 50 CCAA C[C@@H]1c2cccn2CCN1C(=O)Cc1cc(=O)[nH]nc1O 67872684 LSBRJEDCLLPATG-SECBINFHSA-N 288.307 0.423 0 50 CCAA CCc1nc(CN2C[C@H](N(C)CC(=O)O)[C@H](O)C2)cs1 328607983 XWSQDWFVXCZVLJ-WDEREUQCSA-N 299.396 0.267 0 50 CCAA CC(C)n1cc(C(=O)NC[C@H]2COCCN(C)C2)cn1 77337306 WGTJOMVHAFJDNS-GFCCVEGCSA-N 280.372 0.772 0 50 CCAA COC[C@H](C)N1CCN(C(=O)CCC2CCNCC2)CC1 253418614 UDOVPCVLFSNYAR-AWEZNQCLSA-N 297.443 0.945 0 50 CCAA C[C@H]1COCC[C@H]1CNc1ccc(C(N)=O)nn1 286273373 GKBVAVSHXBTWTH-IUCAKERBSA-N 250.302 0.660 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2cncc(O)c2)N(C)C1 285307554 SPCRAZUZGQPRKH-AAEUAGOBSA-N 279.340 0.578 0 50 CCAA Cn1nc(CO)c2c1CCN(C(=O)Cc1cccnc1)C2 219583258 QRBXGBSDYQEMSS-UHFFFAOYSA-N 286.335 0.435 0 50 CCAA O=C(c1cnsn1)N1CCC(N2CCC[C@H](O)C2)CC1 72148264 GKSSQPUUXQBTHO-NSHDSACASA-N 296.396 0.599 0 50 CCAA CCc1nn(C)c(CC)c1CN1CCO[C@H](C)[C@H]1C(N)=O 284471131 BIPVPYJLGCVQIL-YGRLFVJLSA-N 294.399 0.620 0 50 CCAA COCc1noc(CCNC(=O)c2c(C)noc2C)n1 223774233 YLQXZGAFEKLTAX-UHFFFAOYSA-N 280.284 0.793 0 50 CCAA CNc1cc(C)nc(C[C@H]2CC(=O)N(CCOC)C2)n1 223494857 FEAUINNANQZTHP-NSHDSACASA-N 278.356 0.864 0 50 CCAA Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)O 263393581 FBMWRHQNYDGPTL-GFCCVEGCSA-N 290.319 0.800 0 50 CCAA O=C1[C@@H]2CNC[C@H]2C(=O)N1CCN1CCc2ccccc2C1 227463752 VPJUCHZVXLPJTB-HUUCEWRRSA-N 299.374 0.249 0 50 CCAA Cc1nc(CN2CCN(C(=O)c3cnc[nH]3)CC2)no1 220629694 HRIIQQYAMLPPQX-UHFFFAOYSA-N 276.300 0.059 0 50 CCAA O=C(c1cc(C2CC2)[nH]n1)N1CCN([C@H]2CCNC2)CC1 289242404 MXXXMFHRMSRRHK-LBPRGKRZSA-N 289.383 0.407 0 50 CCAA COCc1nc(CNC(=O)c2c(C)noc2C)no1 222352196 QVDBABJJZQHICL-UHFFFAOYSA-N 266.257 0.751 0 50 CCAA O=C(NCc1ccco1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 177590341 BWIXWXSZPVAPKM-VIFPVBQESA-N 274.280 0.672 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)c1cncc(F)c1 223213200 YBKXRYHKWLUHKG-GHMZBOCLSA-N 254.261 0.754 0 50 CCAA Cc1nn(C)c(C)c1-c1ccnc(NCCOCCO)n1 48063539 MIKGJZBHAMAEHO-UHFFFAOYSA-N 291.355 0.915 0 50 CCAA CC(=O)NCc1cc2n(n1)CCN(C[C@@H]1CCC(=O)O1)C2 426503068 DYHGBXHDQXREEV-ZDUSSCGKSA-N 292.339 0.040 0 50 CCAA Cc1nc(C)c(CC(=O)N2CCc3[nH]cnc3C2)c(=O)[nH]1 95383090 JASRCEJIHZUTAB-UHFFFAOYSA-N 287.323 0.237 0 50 CCAA CCc1csc(CNC(=O)CC[C@H]2NC(=O)NC2=O)n1 91644985 LTJKELAIRZESFC-MRVPVSSYSA-N 296.352 0.310 0 50 CCAA C[C@@]1(O)CCN(CCS(=O)(=O)c2ccccc2)C[C@@H]1O 96154065 UYUURZYQITUVAB-UONOGXRCSA-N 299.392 0.278 0 50 CCAA CC(C)c1nccn1[C@H](C)C(=O)N(C)CC(N)=O 95509516 OEIRKZSDDQLVSH-SECBINFHSA-N 252.318 0.511 0 50 CCAA COC1=CC=C[C@@]23[C@H]4[C@@H]5[C@H]6[C@H](n7c(=O)n(C)c(=O)n74)[C@@]12[C@@H]3[C@@H]65 248016568 GMXXBVQRVHKNTC-AKJBBVMYSA-N 297.314 0.036 0 50 CCAA COC(=O)[C@H]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC 242463538 DEIJHCATUHBNIH-VGMNWLOBSA-N 258.270 0.538 0 50 CCAA OCc1ccc2c(c1)CN(C[C@@H]1COCCO1)CCO2 252479984 BREVAYUITCQMMJ-CQSZACIVSA-N 279.336 0.789 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@@H]1N(C)C 257366218 ODURCHBCXMOCMI-CABNGKKXSA-N 276.384 0.932 0 50 CCAA COC(=O)Cc1c(C(=O)OC)cnc2nc(SC)nn12 616588148 CHBZAHREPOLVEJ-UHFFFAOYSA-N 296.308 0.348 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N[C@H]1COC[C@@H]1N1CCCC1 299773300 DGLGLOIFNJFIDR-KBPBESRZSA-N 292.383 0.548 0 50 CCAA CCc1nccn1CC(=O)NCCCn1nc(C)nc1C 299784081 FMSIGSIFPYOSQJ-UHFFFAOYSA-N 290.371 0.860 0 50 CCAA CN(C)C(=O)NCC(=O)N(C)Cc1cscn1 584891805 ZEAWKSVMLRPIGA-UHFFFAOYSA-N 256.331 0.373 0 50 CCAA O=C(NCCN1CCC[C@H](CO)C1)C1CCCC1 584899964 FNMHNFGKRRPFMB-LBPRGKRZSA-N 254.374 0.997 0 50 CCAA C=CC(=O)NCCC(=O)N1CCN2CC(F)(F)C[C@H]2C1 1875365925 RFSQIUDITGUGJM-JTQLQIEISA-N 287.310 0.231 0 50 CCAA CN1C[C@@H](NC(=O)/C=C/CN2CCCC2)CCC1=O 1875338073 NDNGDPWJWARRGH-ITKZLYELSA-N 265.357 0.375 0 50 CCAA CC(C)c1nc(C(=O)NCCc2nnn[nH]2)cs1 244734773 NLQHYRPBONQZGM-UHFFFAOYSA-N 266.330 0.752 0 50 CCAA NC(=O)c1c[nH]c(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c1 1776002519 YZKZNSXZUUFZQF-SECBINFHSA-N 287.323 0.857 0 50 CCAA CC(C)CN1C[C@@H](C(=O)N(C)CCc2ncon2)CC1=O 1363636144 QZFDNPZZCXGEKJ-NSHDSACASA-N 294.355 0.575 0 50 CCAA CO[C@H](CS(=O)(=O)N1CCC[C@@]1(C)C(=O)O)C(C)C 630446687 RAWSEGYBLRHYJP-PWSUYJOCSA-N 293.385 0.926 0 50 CCAA C[C@@H](NC(=O)C1CCCC1)C(=O)N1C[C@@H](F)C[C@H]1CO 408066548 ZMEIIJOLPKANDW-USWWRNFRSA-N 286.347 0.613 0 50 CCAA CCOc1cnc(C(=O)N2CCC[C@@H]2CO)cn1 187269575 JYWGRXPSUYWJPT-SECBINFHSA-N 251.286 0.472 0 50 CCAA CNC(=O)[C@H]1CCN(C(=O)c2cn(C)nc2C2CC2)C1 644898457 RIYJZUUHSCYAFJ-JTQLQIEISA-N 276.340 0.506 0 50 CCAA C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)C[C@H]1CCOC1 650232550 COYMAJUWXSNXBT-KXUCPTDWSA-N 277.342 0.290 0 50 CCAA NC(=O)[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 652791476 PXLRZUOGUUTEBR-YIZRAAEISA-N 293.289 0.393 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 195544834 YYXKRRBTYKZTAZ-SCRDCRAPSA-N 281.400 0.973 0 50 CCAA CO[C@@H](C)c1nnc(NC(=O)CCn2cnnc2)s1 1529198594 DUTRFAUDEFSMAU-ZETCQYMHSA-N 282.329 0.866 0 50 CCAA CCC(=O)N[C@H]1CCCN(C(=O)COCC2CC2)C1 331791595 HENUYNXPRBSEJI-LBPRGKRZSA-N 268.357 0.930 0 50 CCAA CN[C@@H]1CCCN(C(=O)c2ccc(N(C)C)nn2)C1 151039344 JOQKVNOTYGXAKP-SNVBAGLBSA-N 263.345 0.367 0 50 CCAA COc1cnc(C(=O)N[C@@H]2CCCn3c(C)nnc32)nc1 1615047679 CIBOUQRWYASMFM-SNVBAGLBSA-N 288.311 0.650 0 50 CCAA Cn1ccnc1COCC(=O)NC1CCC2(CC1)C[C@H]2N 1615546037 LLCWGNHDCKNCKG-MQYJIDSJSA-N 292.383 0.713 0 50 CCAA O=C1CNCCN1[C@@H]1CCCN(C[C@@H]2C[C@H]3CC[C@H]2N3)C1 1615587665 PRUOLQQLGITALT-GBJTYRQASA-N 292.427 0.023 0 50 CCAA Nc1ccn2ncc(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)c2c1 1615616194 XOMVDHGGEGIVAE-SNVBAGLBSA-N 299.334 0.410 0 50 CCAA Cc1cc(C)n(CCNC(=O)c2nsnc2C)c(=O)n1 1775980888 KKVWHYNFSYDHRD-UHFFFAOYSA-N 293.352 0.450 0 50 CCAA CCCCCC(=O)OC[C@@H](O)COP(=O)(O)O 13552119 FIMVTNBZKNVWDN-MRVPVSSYSA-N 270.218 0.580 0 50 CCAA in-vitro COc1ccc(N2CCN(c3cncc(N)n3)CC2)cn1 1857675424 XPDKULAYJDBMOA-UHFFFAOYSA-N 286.339 0.789 0 50 CCAA Cc1ncn(CCNC(=O)[C@H]2[C@@H]3CC[C@H]2CN3)c1C 1857706326 FIOHAOBPVNNVAF-RWMBFGLXSA-N 262.357 0.614 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCN(CC(=O)NC)CC1 408382496 DBUOKUKJTANAPF-QWHCGFSZSA-N 297.399 0.082 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)N[C@H]2CCCn3nccc32)CCO1 635524951 OYEUPXRMEQUJTF-ONGXEEELSA-N 294.311 0.213 0 50 CCAA CN1CCCC[C@@H](C(=O)NCCc2ccccn2)C1=O 585122027 KWDCJJRKBMDSNL-ZDUSSCGKSA-N 275.352 0.999 0 50 CCAA CC1(C)CN(C(=O)CN2CCc3nccnc3C2)CCO1 931066553 XJUAWHOSHXNGCN-UHFFFAOYSA-N 290.367 0.472 0 50 CCAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)CC)C1 221355521 HBDGZQBQDHLFDO-WDEREUQCSA-N 292.401 0.894 0 50 CCAA O=C(c1cn(Cc2ccccc2)nn1)N1CC(O)C1 268915910 NSGMLUUQMXQOBQ-UHFFFAOYSA-N 258.281 0.143 0 50 CCAA CCCN(CC(=O)O)C(=O)c1cnn(C)c1CC 680492562 MYJXKTLIPYSZSI-UHFFFAOYSA-N 253.302 0.919 0 50 CCAA CCc1ccc(S(=O)(=O)N2CC[C@H]2CO)cc1C(=O)O 907121990 ZRKLYBHAIJLXDG-JTQLQIEISA-N 299.348 0.703 0 50 CCAA CC[C@H](C)C(=O)C(=O)N[C@H](C)C(=O)NCC(C)C 2325811321 OWENBYJMQHGSMS-VHSXEESVSA-N 256.346 0.879 0 50 CCAA COc1cc([C@@H](C)NCCN)ccc1S(C)(=O)=O 2325821976 RLBWXEFBGXIHTK-SECBINFHSA-N 272.370 0.708 0 50 CCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 110761 JWGUQAPDQZSZOS-RKDXNWHRSA-N 270.716 0.592 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356161822 LPIJXNDYRJXREI-GDNZZTSVSA-N 299.396 0.795 0 50 CCAA COC(=O)[C@H](C)NC(=O)c1cc(Cl)[nH]c(=O)c1 225571717 JOKDMMLWOIWAGH-YFKPBYRVSA-N 258.661 0.320 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)C1=NNC(=O)CC1 67724342 IJGHALMAJUWBGG-SECBINFHSA-N 263.301 0.044 0 50 CCAA COc1ccc2nnc(CCC(=O)N3CCCC3)n2n1 1860301250 DSXKGBSTLIOTNW-UHFFFAOYSA-N 275.312 0.688 0 50 CCAA CCn1cc(NC(=O)[C@@H]2CCCO2)c(C(N)=O)n1 331156056 DKBCPQAKAMYHQX-QMMMGPOBSA-N 252.274 0.119 0 50 CCAA CC[C@H](C(N)=O)N(c1cccc(OC)c1)S(C)(=O)=O 65365095 RNCMNKPCDQSIEY-LLVKDONJSA-N 286.353 0.725 0 50 CCAA Cn1nccc1CNC(=O)c1c(Cl)cnn1C 374925 MQVMYBVZTXORDB-UHFFFAOYSA-N 253.693 0.737 0 50 CCAA COCCN1C[C@H](C(=O)NCCCSC)CC1=O 123630552 OCYRDMKROAHPCX-SNVBAGLBSA-N 274.386 0.351 0 50 CCAA CCCN(C(=O)c1ccc[nH]1)[C@H]1CC(=O)N(C)C1=O 283341283 ATKYEAODIUQVEF-JTQLQIEISA-N 263.297 0.624 0 50 CCAA CN(C)Cc1nc(C(=O)N[C@H]2CC[C@H]2N)cs1 72165128 CMTQXBVBXHALOG-SFYZADRCSA-N 254.359 0.424 0 50 CCAA Cc1occc1C(=O)N1CCC[C@](O)(CO)CC1 72150449 MHFZEZPIGAEEDN-CYBMUJFWSA-N 253.298 0.938 0 50 CCAA Cc1occc1C(=O)N1CCOC[C@H]1CC(=O)O 128207996 JDODWVNEYACHNQ-SECBINFHSA-N 253.254 0.904 0 50 CCAA O=C1CC[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)C(=O)N1 332777579 PTGJHDRXDQVVHZ-VXGBXAGGSA-N 293.367 0.315 0 50 CCAA O=C(c1cn2ccsc2n1)N1CC[C@H]2CNC[C@H]21 77353570 SFTLLXWLHNXIIS-WCBMZHEXSA-N 262.338 0.830 0 50 CCAA C[C@H](O)[C@H]1CN(c2cc(NC3CC3)ncn2)CCO1 334124711 OFOFTZTXIIITIN-GXSJLCMTSA-N 264.329 0.637 0 50 CCAA O=S1(=O)CCC[C@@H](CNc2ncnc3[nH]ncc23)C1 287222110 NIEGNBSQCXGIRB-QMMMGPOBSA-N 281.341 0.590 0 50 CCAA C[C@@H](C(=O)O)C(=O)Nc1cncnc1N1CCCC1 263545335 GMXVKIQODLUODC-MRVPVSSYSA-N 264.285 0.736 0 50 CCAA CC(C)n1ccc(C(=O)N[C@@H]2C[C@@H](CO)N(C)C2)n1 426690008 XZCHRMLYDJRPCE-MNOVXSKESA-N 266.345 0.259 0 50 CCAA CN(Cc1nc(-c2ccncc2)no1)C(=O)Cn1ccnc1 223620969 XYRSHZHKSIKRHI-UHFFFAOYSA-N 298.306 0.987 0 50 CCAA O=C(NC[C@@]1(O)CCNC1)Nc1cccc(F)c1 97910772 CGJFXXAKAXFTRO-GFCCVEGCSA-N 253.277 0.672 0 50 CCAA COc1ccc(F)cc1NC(=O)NC[C@@H](O)CO 91187291 JVQRLWJHDLPZHW-MRVPVSSYSA-N 258.249 0.309 0 50 CCAA CN1CC23CN(C)CC2(C1)CN(c1ccncn1)C3 91625072 CKZJUWAUQKEAOJ-UHFFFAOYSA-N 259.357 0.160 0 50 CCAA CCOC(=O)[C@@H]1Cc2cc(OC)c(O)cc2CN1 96027740 HXKVPMWDOOPPCY-JTQLQIEISA-N 251.282 0.978 0 50 CCAA CCOCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 330458107 HXQRJPIWVAZFJP-JTQLQIEISA-N 256.346 0.786 0 50 CCAA Cc1ccc(N2C[C@H](CO)[C@H](CN3CCOCC3)C2)nn1 91965783 MSABIWXJCLAQIZ-ZIAGYGMSSA-N 292.383 0.162 0 50 CCAA Cn1ccnc1[C@@H](O)C1CCN(CCn2cncn2)CC1 244874793 XHKFTQVAOAYZRN-ZDUSSCGKSA-N 290.371 0.457 0 50 CCAA C[C@H](C[S@](C)=O)NC(=O)N1CCC[C@H](N(C)C)C1 182562142 GLCXYQICODZPRN-DDBGAENHSA-N 275.418 0.489 0 50 CCAA Cn1cc([C@@H](NC(=O)c2cc(O)no2)[C@H]2C[C@@H](O)C2)cn1 252523028 BRADGMZPXRTGIA-VMAXQDLPSA-N 292.295 0.356 0 50 CCAA Cc1ccn2nc(C(=O)N[C@@H]3CCNC[C@H]3O)cc2c1 534592719 PLKVPMGLPJAJHO-DGCLKSJQSA-N 274.324 0.095 0 50 CCAA C[C@H](CCC(=O)NCCc1cc[nH]n1)N1CCN(C)CC1 534639500 BJWVSNJTYHZNOB-CYBMUJFWSA-N 293.415 0.485 0 50 CCAA Cc1cccc(C[C@H](C)NC(=O)CCNS(C)(=O)=O)n1 299785752 LYTRZHJEMPUVGN-NSHDSACASA-N 299.396 0.377 0 50 CCAA C[C@H]1CC[C@H]2C(=O)N[C@H](c3ccc(O)cc3)C(=O)N12 828916635 QRYOSLROZQHWMO-KPXOXKRLSA-N 260.293 0.943 0 50 CCAA Cn1c(O)nnc1CCNC1CSCCSC1 584901988 FEYUQKWOSMUUNN-UHFFFAOYSA-N 274.415 0.501 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)C1CCN(C(C)=O)CC1 584887937 HIQFAJROLKMXGM-KBPBESRZSA-N 297.399 0.080 0 50 CCAA Cc1ccccc1CC1(NC(=O)NC[C@H](O)CO)CC1 584901133 ADPIQMXJYMQQHF-ZDUSSCGKSA-N 278.352 0.723 0 50 CCAA CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccncc2)C1 685941026 OGNBYTNLNHEUTJ-QWRGUYRKSA-N 291.307 0.133 0 50 CCAA CO[C@H]1COCC[C@H]1N1CCN(C(=O)OCCF)CC1 952963900 NDINDTRROKBROP-NEPJUHHUSA-N 290.335 0.514 0 50 CCAA O=C(c1cnc2[nH]cncc1-2)N1CC[C@](O)(c2cc[nH]n2)C1 1875340537 HBLKYXALMOTPSU-CQSZACIVSA-N 298.306 0.366 0 50 CCAA CNC(=O)C[C@@H]1CN(C(=O)Nc2cncc(C)c2)C[C@H]1O 1875397909 SXQQTKSKFNYGOH-ZYHUDNBSSA-N 292.339 0.351 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@H]1CCCN(C(=O)C(C)C)C1 1875311748 MEXCWBMDRQZKQT-NTYUQYKDSA-N 296.367 0.726 0 50 CCAA COC[C@H]1COCCN1C(=O)c1cnn2c1CCCC2 886869443 ZCWBRUXGDQJHRG-NSHDSACASA-N 279.340 0.707 0 50 CCAA Cc1nnc(CN2CCCN(C(=O)[C@H]3CCOC3)CC2)o1 980802791 REEQRZQSJJZEDM-LBPRGKRZSA-N 294.355 0.449 0 50 CCAA C=CS(=O)(=O)CCN(C)[C@H]1CCN(C)[C@@H](C)C1 1775994496 VSPBQNDLTVWWPI-RYUDHWBXSA-N 260.403 0.959 0 50 CCAA CCC[C@]1(CO)CCN(c2ncc(F)cn2)C[C@H]1O 1529118987 AFZYNETUIOFNJY-DGCLKSJQSA-N 269.320 0.966 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N(C)CC(F)(F)F)C1 408025416 BQCRXLLOJUHJKW-BQBZGAKWSA-N 283.250 0.175 0 50 CCAA CN(CCN(C)C1CC1)C(=O)[C@H]1CC[C@@H]1C(N)=O 408518003 RKADSLSAPPMMDQ-QWRGUYRKSA-N 253.346 0.051 0 50 CCAA C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)[C@H]1CCCO1 585125438 SJWVHYUXLFHLFX-CHWFTXMASA-N 254.330 0.632 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)[C@H](C)n1cccn1 643853130 SWHZPCWCBGZICN-GWCFXTLKSA-N 281.312 0.536 0 50 CCAA Cc1cccn(CC(=O)N2C[C@@H]3CN(C)C[C@@H]3C2)c1=O 192503806 WPWPVBVBBBRPTJ-BETUJISGSA-N 275.352 0.177 0 50 CCAA CS(=O)(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529133991 KJEIIJDHSHZOTI-ZIAGYGMSSA-N 296.392 0.704 0 50 CCAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cnc(O)[nH]1 1704336982 OOVDUZWCZGNXEY-PWSUYJOCSA-N 288.307 0.498 0 50 CCAA CC1(C(=O)NC2CCC(CS(C)(=O)=O)CC2)COC1 1615589699 GOCVXYKXTVYMBL-UHFFFAOYSA-N 289.397 0.743 0 50 CCAA CCn1nccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)O 262358068 CBLWXERWQXPWQY-VIFPVBQESA-N 289.357 0.681 0 50 CCAA CCC[C@@H](NC(C)=O)C(=O)N(CCO)Cc1cnc(C)[nH]1 1772700475 FGOIWPOKJWBLDT-CYBMUJFWSA-N 296.371 0.344 0 50 CCAA Cc1ccc(C(=O)N2CCOCC2)cc1NS(C)(=O)=O 13683295 BMSQRCKTSGAERU-UHFFFAOYSA-N 298.364 0.839 0 50 CCAA O=C(CCCNCc1ccccc1)N[C@H]1CCOC[C@@H]1O 709959862 IUDPGSHOLPKMMR-GJZGRUSLSA-N 292.379 0.822 0 50 CCAA COc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 4333180 AQAPMNPVOSUMNS-SNVBAGLBSA-N 299.348 0.621 0 50 CCAA NC(=O)c1nnn(C[C@H]2CCC3(CCCC3)O2)n1 918152006 ULUJUMFIQVDEIO-MRVPVSSYSA-N 251.290 0.264 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccoc1)C2 1704304420 DXKQIELOYURXIZ-JQWIXIFHSA-N 250.298 0.682 0 50 CCAA Cc1cc(NC(=O)CN2CCC[C@H]2c2nc[nH]n2)no1 828084866 RAEYFIIIBJTWSJ-VIFPVBQESA-N 276.300 0.877 0 50 CCAA c1ccc(N2CCN(C[C@H]3COCCO3)CC2)nc1 252481532 CNOLHWZODIMSMI-ZDUSSCGKSA-N 263.341 0.619 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)NCc1cc(F)ccc1F 261896742 HFKZCWQIWXMBEB-PELKAZGASA-N 270.279 0.958 0 50 CCAA CCn1ncnc1CN(C)CCN1CCOCC1 193332995 PEJYAKAPSFREBO-UHFFFAOYSA-N 253.350 0.062 0 50 CCAA C[C@](O)(CN1CCC[C@@H](S(C)(=O)=O)C1)C(F)(F)F 386351767 PGZDRDZXRUIVDA-BDAKNGLRSA-N 289.319 0.809 0 50 CCAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)NCCn2cccn2)C1 399084843 UVKRVCKJFGUWCK-MNOVXSKESA-N 280.328 0.635 0 50 CCAA Nc1nnc(CCN2C(=O)c3ccccc3C2=O)s1 2262219 DSYZTPMFAPJVKL-UHFFFAOYSA-N 274.305 0.959 0 50 CCAA COCCCNC(=O)C(=O)NC1CCCCCC1 4819410 DOLHTLZULSGNRZ-UHFFFAOYSA-N 256.346 0.978 0 50 CCAA CNc1ccc(C(=O)NCc2nnc(S)n2C)nc1 1144558300 OWYOUOFDHWJLCG-UHFFFAOYSA-N 278.341 0.471 0 50 CCAA CSCC[C@H](N)C(=O)NCc1cccc(CO)c1 225420730 YPHAAFIVSJDJLU-LBPRGKRZSA-N 268.382 0.876 0 50 CCAA COc1cccc([C@@H]2C[C@H](O)CN2S(C)(=O)=O)c1 225714457 BAZBZYQUHCUAEY-JQWIXIFHSA-N 271.338 0.763 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(Cc2cnc3nc(C)cc(C)n23)C1 343991539 VBLSZJDFMUHILS-GXTWGEPZSA-N 290.367 0.928 0 50 CCAA CN[C@@H]1CCCN(C(=O)COc2c(C)nn(C)c2C)C1 134068556 XTFIMZLAPOSVMJ-GFCCVEGCSA-N 280.372 0.626 0 50 CCAA Cc1csc(CN(C)C(=O)[C@@H](C)NS(C)(=O)=O)n1 118523126 ASUKAZOEIHTKEX-MRVPVSSYSA-N 291.398 0.348 0 50 CCAA CC(C)N1CCC(NC(=O)Cn2ncsc2=O)CC1 135471191 SQDMCBLZHOMSCB-UHFFFAOYSA-N 284.385 0.294 0 50 CCAA CS(=O)(=O)[C@@H]1CCC[C@@H]1NCCCn1cccn1 135726940 QWKWVGCYPFPUQS-NWDGAFQWSA-N 271.386 0.829 0 50 CCAA CN(C)C(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O 38328241 WNVCRAUZUATQRQ-ZETCQYMHSA-N 260.290 0.443 0 50 CCAA CC[C@@H](C(=O)N1CCC(O)(C(=O)O)CC1)n1cccn1 71751891 CNSTWGRHHGOBLZ-JTQLQIEISA-N 281.312 0.272 0 50 CCAA CC(=O)Nc1nnc(S(=O)(=O)NC(C)C)s1 36182508 IJAHEPQNCXIJQH-UHFFFAOYSA-N 264.332 0.183 0 50 CCAA Cc1nc2c(c(N[C@H]3COC[C@@H]3N3CCCC3)n1)CNC2 72169333 GYKIDVANDFYRON-KBPBESRZSA-N 289.383 0.663 0 50 CCAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1cc(C(N)=O)cn1C 122223705 RGVQFWUDCFEBDF-KOLCDFICSA-N 278.356 0.466 0 50 CCAA CO[C@H]1C[C@@H](C(=O)Nc2cccc(N(C)C)n2)N(C)C1 330564750 KMNNXAGGRPIEGJ-QWRGUYRKSA-N 278.356 0.805 0 50 CCAA C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)N1CCCCC1 257365415 GQXARVLWXCJMGI-STQMWFEESA-N 287.429 0.886 0 50 CCAA Cn1cnc(C(=O)N2CCCC[C@@H]2CC(=O)O)c1 236093228 GZDSSFMTNFDEBY-SECBINFHSA-N 251.286 0.890 0 50 CCAA CCN(CCn1cccn1)C(=O)Cc1cnccn1 215630772 KEWHHGHKCJRPOX-UHFFFAOYSA-N 259.313 0.764 0 50 CCAA O=C(N[C@H]1CCCN(c2cnccn2)C1)c1cn[nH]c1 215783268 OGTLIUMOPALUIX-NSHDSACASA-N 272.312 0.599 0 50 CCAA CC(=O)N[C@@H](C(=O)N=c1cc[nH][nH]1)c1ccccc1 337658558 JVETVQSTBZUAKX-GFCCVEGCSA-N 258.281 0.648 0 50 CCAA CCC[C@@H](CC(=O)O)NC(=O)c1nnc2nc(C)ccn12 219184957 NFMPPQWQTHFXHZ-VIFPVBQESA-N 291.311 0.806 0 50 CCAA CN(C)[C@H]1CCCN(Cc2cnn(CCC(=O)O)c2)C1 214967286 UIZJDKATSWAORO-ZDUSSCGKSA-N 280.372 0.884 0 50 CCAA NC(=O)C1(CNC(=O)[C@H]2Cc3ccccc32)CCOCC1 607888084 NRKCFJNOZMZLSJ-ZDUSSCGKSA-N 288.347 0.725 0 50 CCAA Cn1cccc1C(=O)C(=O)NC[C@@]1(C)CCCO1 220496636 QKMZSTAQCAUEIV-CYBMUJFWSA-N 250.298 0.893 0 50 CCAA Cc1nnnn1CCC(=O)NC[C@@H](C)Oc1cccnc1 220479161 DEFUGYSSOSEFOM-SNVBAGLBSA-N 290.327 0.350 0 50 CCAA CCN(C[C@@H]1CCCCO1)C(=O)c1cncc(=O)[nH]1 426666952 GQOOZFGMPODXNB-JTQLQIEISA-N 265.313 0.801 0 50 CCAA Cn1cnc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 178201486 WFOYMJOVJCSCEV-CHWSQXEVSA-N 257.293 0.808 0 50 CCAA Cc1nc(C)c(C(=O)N2CCO[C@H](C(=O)O)C2)s1 43702360 RVLJPCVAFAWEOU-QMMMGPOBSA-N 270.310 0.686 0 50 CCAA COCCn1cnnc1CN(C)C(=O)[C@H](C)n1ccnc1 426505767 LPRLOWULLXHUBN-NSHDSACASA-N 292.343 0.341 0 50 CCAA O=C(CO)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 91873289 NFGZGGXLIBBRNN-OAHLLOKOSA-N 280.368 0.620 0 50 CCAA Cc1nc(CN2CC(=O)N(C)c3ccccc3C2=O)n(C)n1 95523653 OCHKXYIQBHBODX-UHFFFAOYSA-N 299.334 0.742 0 50 CCAA CN1CCN(C(=O)CN2CC(c3ccccn3)C2)CC1 244795325 RECMGXAHYRMETC-UHFFFAOYSA-N 274.368 0.255 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)NCc1csc(N(C)C)n1 244724040 MMKLRPHVWWHYQK-VIFPVBQESA-N 294.384 0.753 0 50 CCAA Cn1cc(CN(CCn2cc[nH]c2=O)C2CC2)cn1 244874271 WXTGDVXKXXFOJR-UHFFFAOYSA-N 261.329 0.575 0 50 CCAA Cc1cc(N2CCC([C@H](O)C(N)=O)CC2)c(C#N)c(C)n1 299742864 IYUDLADGHQYCBK-AWEZNQCLSA-N 288.351 0.633 0 50 CCAA NC(=O)c1cccc(NC2CCN(C(=O)C3CC3)CC2)n1 534673693 NKHUCLRAMWZJPW-UHFFFAOYSA-N 288.351 0.993 0 50 CCAA Cc1noc(C)c1CCC(=O)NCCc1nc(N)n[nH]1 534584402 NHXZVDPZJSUUKA-UHFFFAOYSA-N 278.316 0.283 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CCC[C@H](CN)C1 534576798 KSDHITWAEBHOJO-LLVKDONJSA-N 286.401 0.823 0 50 CCAA Cc1cc(C)n(CCNC(=O)c2cn[nH]c2)c(=O)n1 825132026 LSRXQLFUVQEJHF-UHFFFAOYSA-N 261.285 0.013 0 50 CCAA CN1CCN(C(=O)Cc2ccsc2)C[C@@H]1CCO 584893771 SBZFAVANBAMVQA-LBPRGKRZSA-N 268.382 0.816 0 50 CCAA C[C@]1(CNC(=O)CCC(=O)Nc2nncs2)CCCO1 828019312 BMTJJAUBVAJUEV-GFCCVEGCSA-N 298.368 0.942 0 50 CCAA CN1CCOC[C@H](CNC(=O)c2cncc(O)c2)C1 584892196 CQXGNZKRQGXPJY-SNVBAGLBSA-N 265.313 0.095 0 50 CCAA CN(CCc1ccccn1)C(=O)NCCc1cnn[nH]1 584896077 VHYNCDWVRLAULJ-UHFFFAOYSA-N 274.328 0.626 0 50 CCAA CC(=O)N1CCN(C2CSCCSC2)C[C@H](O)C1 670455234 QDFLEYWZFYWZRP-GFCCVEGCSA-N 290.454 0.360 0 50 CCAA CC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cnn(C)c2)CC1 685945226 LCTCSEULZXTZKK-STQMWFEESA-N 276.340 0.214 0 50 CCAA COCCN(Cc1ccco1)C(=O)[C@H]1C[C@H]1C(=O)O 268908959 LYUAVUOJONFQKT-WDEREUQCSA-N 267.281 0.975 0 50 CCAA C[C@H]1CNc2c(C(=O)N(C)c3cnn(C)c3)cnn2C1 1548652616 VOUGYGORQKFQLU-VIFPVBQESA-N 274.328 0.955 0 50 CCAA O=C(CCc1ccncn1)N1CCOC[C@]12CCOC2 1875252379 AUULYGLKORAIOI-CQSZACIVSA-N 277.324 0.427 0 50 CCAA Cc1cc(NC(=O)NC[C@H]2CCN(C)C2=O)on1 1875271321 HZMJZGGUKDHHOI-MRVPVSSYSA-N 252.274 0.583 0 50 CCAA O=C1CCCN1CCONC(=O)C12CSC(C1)C2 1875310517 SQSHGFSYSPYVLC-UHFFFAOYSA-N 270.354 0.552 0 50 CCAA Cc1cnn(C[C@@H]2NC(=O)[C@H](Cc3ccco3)NC2=O)c1 1875307909 WAONNULMFMZJMH-RYUDHWBXSA-N 288.307 0.010 0 50 CCAA O=C(NCC1CN(C(=O)c2ccco2)C1)c1coc(O)n1 1875332933 RIUWLXPCAFBHNT-UHFFFAOYSA-N 291.263 0.475 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H](n2cccn2)C1 1875366227 RWIQMKYFQAILQG-GFCCVEGCSA-N 276.340 0.691 0 50 CCAA CCN1CCN(CC(=O)NC[C@H]2CCCN2C(C)C)CC1 952975442 ZINCFIIXIXILDY-OAHLLOKOSA-N 296.459 0.613 0 50 CCAA Cn1ccnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 952990781 IILKEBLJZMALIQ-NSHDSACASA-N 273.292 0.846 0 50 CCAA CCc1nc(C)c(C(=O)N2CCc3c(nc[nH]c3=O)C2)o1 72144480 AIVDHGRILNMPMB-UHFFFAOYSA-N 288.307 0.827 0 50 CCAA C=CC(=O)N(C)CC(=O)NC1(c2ccccc2)COC1 888563348 LOFKJXXLJUHQQW-UHFFFAOYSA-N 274.320 0.673 0 50 CCAA O=C(c1ccc2nccn2c1)N1CCOC[C@@H]1CO 244742049 OBCZCVOUZJZZKM-NSHDSACASA-N 261.281 0.168 0 50 CCAA Nc1nccc(N2CCO[C@H]([C@H]3CCCO3)C2)n1 1339610565 RAISFWUQFAKWJB-ZJUUUORDSA-N 250.302 0.443 0 50 CCAA CN1CCn2nc(NC(=O)[C@H]3C[C@@H]4[C@@H](N)C[C@H]4C3)cc2C1 1775961249 JSGNEGQEGGNPFQ-AAXDQBDMSA-N 289.383 0.640 0 50 CCAA CCN(CC(=O)OC)C(=O)C[C@@H]1C[C@@H](O)C1(C)C 1776006131 MLWXOWDALPJAQL-VHSXEESVSA-N 257.330 0.805 0 50 CCAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cnn[nH]1 1565509814 JQBRCRGRJANLTD-JQWIXIFHSA-N 280.328 0.675 0 50 CCAA CN1CCN(C(=O)c2cc[nH]c2)C[C@H]1c1nccn1C 276507708 CETBPFATUCWMDD-LBPRGKRZSA-N 273.340 0.877 0 50 CCAA COC(=O)C[C@]1(NC(=O)c2ccnc(C)n2)CCCOC1 170598016 UOHAYHZAUDXQNK-CQSZACIVSA-N 293.323 0.627 0 50 CCAA CN(C)C(=O)CCCn1c(-c2cccnc2)noc1=O 187929611 LCJSNUWXZOMQFX-UHFFFAOYSA-N 276.296 0.767 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(c2ncc(C)cn2)C1 643720361 CCIQZFKVVIDIJI-ZDUSSCGKSA-N 264.329 0.252 0 50 CCAA CSC[C@@](C)(O)CNC(=O)[C@@H]1CCCc2nn[nH]c21 597278327 IGCJARYKGXEYLC-PELKAZGASA-N 284.385 0.455 0 50 CCAA CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C2CCCC2)CC1 195163670 OLUVNQFZUKULCY-CQSZACIVSA-N 293.411 0.942 0 50 CCAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1n[nH]c(O)n1 1506423581 IXBMWPTYRCTDSG-QMMMGPOBSA-N 295.343 0.229 0 50 CCAA CC[C@]1(C(N)=O)CCCN(CCc2ncc[nH]2)C1 1506415403 NNXKLKSUXFXWQZ-ZDUSSCGKSA-N 250.346 0.930 0 50 CCAA Cc1ccncc1C(=O)N(CCO)Cc1cncn1C 1704326260 ZOWPNXVAVUDBQA-UHFFFAOYSA-N 274.324 0.758 0 50 CCAA COCc1nsc(N(C)[C@@H](C)C[S@@](C)=O)n1 302867426 WHFNDHQDRVETQL-HYORBCNSSA-N 263.388 0.888 0 50 CCAA CC(C)(C)OC(=O)NC1(C(=O)O)CCS(=O)(=O)CC1 1081431 NECDODYCDAMCKY-UHFFFAOYSA-N 293.341 0.543 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)N1CCN(C(C)=O)CC1 336600274 RNIORJWCPHMJJL-CHWSQXEVSA-N 268.357 0.882 0 50 CCAA CC(C)(C)CC(=O)NCC(=O)N1CCC[C@@H](C(=O)O)C1 136152795 GIVLFNWWPNSNOK-SNVBAGLBSA-N 284.356 0.862 0 50 CCAA CC1(C)CC(NC[C@H]2CCNC[C@@H]2O)CC(C)(C)N1 1616166142 FAXLDMPBQLKNRZ-YPMHNXCESA-N 269.433 0.856 0 50 CCAA CC(=O)c1ccnc(N2C[C@H]3CNC[C@]3(CO)C2)c1 1772708515 HUFSJGYPWWHWJP-TZMCWYRMSA-N 261.325 0.302 0 50 CCAA CN1C[C@H](CN2CCC3(CC2)CNC(=O)O3)CCC1=O 1775977861 MVGRQEAMDGOYJO-LLVKDONJSA-N 281.356 0.429 0 50 CCAA O=C(Cn1cnc2ccccc2c1=O)N1CCOCC1 5102957 TXLJMGXLHIJJOA-UHFFFAOYSA-N 273.292 0.255 0 50 CCAA COCCNC(=O)CNC(=O)c1ccc2ncsc2c1 11867524 NCNNMNXIDROYSP-UHFFFAOYSA-N 293.348 0.789 0 50 CCAA COCc1cc(CNC(=O)[C@@H]2CCn3nccc3C2)[nH]n1 1857708366 PZFLYAQMHYHJRB-SNVBAGLBSA-N 289.339 0.631 0 50 CCAA COc1cc(NC(=O)CN(C)Cc2ccncc2)ncn1 1875251166 OLMWDYWIALFHFC-UHFFFAOYSA-N 287.323 0.951 0 50 CCAA C[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@@H](C2CC2)O1 329902314 PHEOMHKFQPRMKA-XBFCOCLRSA-N 265.357 0.743 0 50 CCAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)CCCN 644066523 BPMYULGQNRMXDE-VXGBXAGGSA-N 280.372 0.788 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)[C@H]2CCCC[C@@]2(C)N)CC1 335937624 SLBKAROGXYLIBN-IUODEOHRSA-N 296.415 0.720 0 50 CCAA CN1CCC2(CC1)CCN(C(=O)c1ncc[nH]c1=O)C2 1857685982 CTFXQQQJSBZNHX-UHFFFAOYSA-N 276.340 0.328 0 50 CCAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnco2)cn1 818599655 CHDSQNPLTSUIRM-CMPLNLGQSA-N 292.295 0.467 0 50 CCAA C[C@@]1(C(N)=O)CCN(c2nccnc2Br)C1 1775990526 BSOCEOFNBXEMGH-SNVBAGLBSA-N 285.145 0.941 0 50 CCAA C[C@]1(CO)C[C@H](O)CN1C(=O)c1ncoc1C1CC1 888092026 SASRWSDBJRLYHC-TVQRCGJNSA-N 266.297 0.510 0 50 CCAA O=C(N[C@H]1CCNC1)c1ccc(-c2cn[nH]c2)cn1 876511091 WBAMMHKNJUJETA-NSHDSACASA-N 257.297 0.563 0 50 CCAA COc1c(F)ccc(C(=O)N2C[C@H](O)C[C@@H](O)C2)c1F 2356159008 IAFDZXGNJDASDV-HTQZYQBOSA-N 287.262 0.541 0 50 CCAA O=C(c1ccc2nc[nH]c2c1)N1C[C@H]2COC[C@@]2(CO)C1 2356169913 LIJATYTUSXSJAS-NHYWBVRUSA-N 287.319 0.644 0 50 CCAA CN(C(=O)c1cc(Cl)c[nH]1)[C@H]1CCS(=O)(=O)C1 138383315 QCKZEHZIMRMZLM-QMMMGPOBSA-N 276.745 0.927 0 50 CCAA Cc1cccc(N2CCN(CCCn3cnnn3)CC2)n1 20211264 FUWITASHUIYXOK-UHFFFAOYSA-N 287.371 0.589 0 50 CCAA CN1CC[C@H](NC(=O)c2n[nH]c3ccccc23)C1=O 172466360 GKBWUKVTBSXMBL-JTQLQIEISA-N 258.281 0.523 0 50 CCAA Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)nc(C)n1 408193843 FLLWKJKZADTCFD-GFCCVEGCSA-N 283.353 0.400 0 50 CCAA CCc1nnc(CN(CC)C(=O)c2ncn[nH]2)o1 216255213 KUWPFYSCEDQATH-UHFFFAOYSA-N 250.262 0.412 0 50 CCAA C[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)[C@H]1C(=O)O 235392349 QSGHAAXOCGKHED-LDYMZIIASA-N 264.281 0.700 0 50 CCAA CN(CCCNC(=O)[C@@H]1CNCCO1)c1ccccc1 43707517 AUNQYYMJCKVIBI-AWEZNQCLSA-N 277.368 0.618 0 50 CCAA CC(C)n1cc(C(=O)NC[C@@H]2COCCN(C)C2)cn1 77337311 WGTJOMVHAFJDNS-LBPRGKRZSA-N 280.372 0.772 0 50 CCAA Cc1cnc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cn1 331725612 MVDIQZGOQYACIK-GFCCVEGCSA-N 286.339 0.929 0 50 CCAA Cn1cc(NC(=O)[C@@H]2C[C@H]3CCCCN3C2)cc1C(N)=O 364090508 NTKVKKSGUPEKJB-ZYHUDNBSSA-N 290.367 0.937 0 50 CCAA Cn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)C2CC2)cn1 367249169 SUTNBSZFDAKZOH-YPMHNXCESA-N 299.396 0.800 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2COCCN2)C[C@@H](c2ccccc2)O1 237608525 XYZSLQQODBUIKZ-SNPRPXQTSA-N 290.363 0.963 0 50 CCAA Cc1nc(N2CCN(C(=O)[C@H](C)N)CC2)sc1C 157987546 VPLFTQOFVZDQMN-QMMMGPOBSA-N 268.386 0.756 0 50 CCAA COCc1cc(N[C@@H]2COCC[C@@H]2OCCO)ncn1 219771179 UOUCNRRLWITVNG-NEPJUHHUSA-N 283.328 0.201 0 50 CCAA CN1C(=O)C2(CCN(CCO)CC2)c2ccccc21 72154749 VWTJWPWOAAGMCJ-UHFFFAOYSA-N 260.337 0.989 0 50 CCAA NC[C@@H]1CCCCN1C(=O)c1n[nH]c2ccccc2c1=O 131104611 LRZXSUDIWFPOTN-JTQLQIEISA-N 286.335 0.877 0 50 CCAA Cc1ccccc1OC1CN(C(=O)CNC(N)=O)C1 223275529 XDQMLKGCNRBWAN-UHFFFAOYSA-N 263.297 0.253 0 50 CCAA CN1CCCN(CC(=O)N2CCCC[C@@H]2CC(=O)O)CC1 426388232 XHZGAZOZZCORET-CYBMUJFWSA-N 297.399 0.480 0 50 CCAA O=C(O)[C@H]1[C@@H]2C(=O)N(c3ccc(O)cc3)C[C@@]23C=C[C@H]1O3 226926427 LGMIDFONWNZNQJ-BLTAXRJOSA-N 287.271 0.763 0 50 CCAA CC[C@H](CO)Nc1cc(C2CC(N)C2)nc(N(C)C)n1 220328640 CCRCEXDICWDFFR-VQXHTEKXSA-N 279.388 0.930 0 50 CCAA CCN(CCO)C(=O)NCc1nc(C(C)C)no1 426396005 TVIXIMUZPYNEFS-UHFFFAOYSA-N 256.306 0.717 0 50 CCAA CN1C[C@@H](C(=O)NCCc2nc3ccccc3o2)CC1=O 426612508 DZPIGFTWQXJNJH-JTQLQIEISA-N 287.319 0.965 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCN2CCCC[C@@H]2CO)[nH]1 426401609 DLSVHJIWAJXVHC-GFCCVEGCSA-N 293.367 0.260 0 50 CCAA Cc1[nH]nc(C(=O)N2CCN(C)[C@@H](CCO)C2)c1Cl 426531759 OWKLODHPSHDFHR-VIFPVBQESA-N 286.763 0.510 0 50 CCAA c1cnc2nc(CN3CCN(c4cnccn4)CC3)nn2c1 244882808 XZINLFARAPLPQL-UHFFFAOYSA-N 296.338 0.237 0 50 CCAA CSCc1noc(CN(C)[C@@H](C)C(=O)N(C)C)n1 244796053 RRYCSHNRFCNYHB-QMMMGPOBSA-N 272.374 0.841 0 50 CCAA O=C(O)[C@H]1C[C@H]1C(=O)NCCCCn1ccccc1=O 299750079 MPJMJMMKKXHVFA-MNOVXSKESA-N 278.308 0.465 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1csc(C2CC2)n1 299749127 JJJIGNZSZBEFPA-VIFPVBQESA-N 282.321 0.946 0 50 CCAA CC(C)CN1CCN(C(=O)NCCC(=O)O)[C@H](C)C1=O 263368595 MEPVKBLGWXLCPA-SNVBAGLBSA-N 285.344 0.359 0 50 CCAA CC(C)(C)NC(=O)CCN1C[C@@H]2CC[C@H](C1)[C@H]2N 534642718 RXDGXLXFSGFOSL-PTEHBNRSSA-N 253.390 0.960 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NCc2noc(C(N)=O)n2)n1 534664627 HMZDZWUBNALKOG-MRVPVSSYSA-N 278.316 0.160 0 50 CCAA O=S(=O)(CC1CCCC1)N1CCCC(CO)(CO)C1 828691393 MECJQOVNNBKODW-UHFFFAOYSA-N 291.413 0.573 0 50 CCAA CN(Cc1nncn1C)C(=O)Cc1cn2ccsc2n1 584892769 ODSNVEHVUMRJAQ-UHFFFAOYSA-N 290.352 0.725 0 50 CCAA Cc1nc([C@@H]2OCC[C@@H]2NC(=O)c2ccncc2F)n[nH]1 685941889 IZFMBEXTKLBLKS-WDEREUQCSA-N 291.286 0.907 0 50 CCAA Cc1cc(=NC(=O)NCC[C@H]2CNC(=O)C2)cc(C)[nH]1 1548453652 RZZCZTCEGRQDAO-LLVKDONJSA-N 276.340 0.768 0 50 CCAA Nc1cc(N2CCN(c3ccccn3)CC2)nc2ncnn12 1875275168 LTMOVSWZGLADAD-UHFFFAOYSA-N 296.338 0.428 0 50 CCAA Cn1ccnc1C[C@H]1CCCN(C(=O)C2=NNC(=O)C2)C1 1875263166 AXARHYYEAYQIBK-SNVBAGLBSA-N 289.339 0.077 0 50 CCAA Cc1ccc(S(=O)(=O)N(C)CCn2cnnc2)cc1 952875977 YDNIVKAGERXJPF-UHFFFAOYSA-N 280.353 0.907 0 50 CCAA COC1CC(C(=O)N[C@H]2CCO[C@H]2c2nc[nH]n2)C1 952888788 PTBSBOXOEUWWNS-HORUIINNSA-N 266.301 0.176 0 50 CCAA O=C(N[C@@H](CO)c1ccccc1)[C@]1(F)CCNC1 888096299 SJFJLRSWCWAOIN-AAEUAGOBSA-N 252.289 0.538 0 50 CCAA Cn1cnc2c(N[C@@H](CO)Cc3cncs3)ncnc21 894966317 PSAVBGGKHMQLJT-MRVPVSSYSA-N 290.352 0.835 0 50 CCAA C[C@@H](C(=O)N(C)C[C@@H]1C[C@H](F)CN1CC(N)=O)C1CC1 548025728 QDYFDNZKORPBOD-USWWRNFRSA-N 285.363 0.389 0 50 CCAA O=C(O)C[C@H]1CN(C(=O)c2cnn3ccccc23)CCO1 224811150 IVWCKXBFZIPXTR-JTQLQIEISA-N 289.291 0.650 0 50 CCAA Cc1cc(N2CC[C@](O)(Cn3ccnn3)C2)nc(C)n1 671467404 YMPAEEYGXSPQHM-CYBMUJFWSA-N 274.328 0.326 0 50 CCAA O=C(N[C@@H]1CCNC1=O)c1cc(F)c(F)c(F)c1F 585113018 XJJFASUOONUEPN-ZCFIWIBFSA-N 276.189 0.861 0 50 CCAA NC(=O)c1cn([C@@H]2CCN(c3ncccc3F)C2)nn1 643759261 VCJXQRFKIAPCTK-MRVPVSSYSA-N 276.275 0.363 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2cncc(OC)c2)C1 643818804 VGRHGQLQFIJDJJ-HNNXBMFYSA-N 293.367 0.553 0 50 CCAA COCCc1noc(CCn2c(C)cc(=O)cc2O)n1 1547208571 QLPXCFDFXSRPNO-UHFFFAOYSA-N 279.296 0.677 0 50 CCAA CNS(=O)(=O)NCc1nnc(-c2ccccc2)n1C 1615613629 JBQFYSNPVPPKRG-UHFFFAOYSA-N 281.341 0.036 0 50 CCAA COCC1(CNC(=O)[C@H]2CCc3ncnn3C2)CCC1 1857741056 AKBXEFCFSCAGGT-NSHDSACASA-N 278.356 0.773 0 50 CCAA O=C(CN1C[C@H]2[C@H](C1)C2(CO)CO)Nc1ccccc1 1772711359 SUOUWPVLOHAQOT-STQMWFEESA-N 276.336 0.158 0 50 CCAA CC[C@@H](C)N1CCC(N2CCN(CCO)CC2)CC1 19889073 OEBZZXOLZLNWDK-CQSZACIVSA-N 269.433 0.859 0 50 CCAA CC(C)(O)[C@@H](O)CN1CCC[C@@H](C(=O)NC2CC2)C1 1647651424 CNNRUSXOVWJEGR-PWSUYJOCSA-N 270.373 0.109 0 50 CCAA CC(C)(C)CC(=O)NCC(=O)N1CCC[C@H](C(=O)O)C1 136152758 GIVLFNWWPNSNOK-JTQLQIEISA-N 284.356 0.862 0 50 CCAA Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)[C@H]2CCOC2=O)o1 583624105 BSODJSJDOKNNEZ-DCAQKATOSA-N 298.318 0.542 0 50 CCAA COC(=O)[C@@H]1C[C@@H](O)CN(CCCc2cncn2C)C1 594015296 IGRYFXOROOXWFG-DGCLKSJQSA-N 281.356 0.209 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)[C@H](O)c1ccccc1 129424229 OSIWWWGJFRWLMR-WCQYABFASA-N 279.292 0.422 0 50 CCAA CN(C)C[C@@]1(O)CCN(C(=O)c2cc(C3CC3)on2)C1 257301791 RZXRHXYWLYHABT-AWEZNQCLSA-N 279.340 0.691 0 50 CCAA C[C@]1(NC(=O)[C@@H]2COCCO2)CCCC[C@@H]1C(=O)O 262716826 CXPDLTYYYDBNIB-NRUUGDAUSA-N 271.313 0.552 0 50 CCAA COc1cc(C(=O)N2CCC(O)(CO)CC2)ccn1 67641713 HFQFLLZBDBDHDC-UHFFFAOYSA-N 266.297 0.050 0 50 CCAA CCOc1ccc(NC(=O)C(=O)NC[C@H](C)O)cc1 2284454 XHYVZFJWPSLPAM-VIFPVBQESA-N 266.297 0.521 0 50 CCAA O=C1CS[C@H](C(=O)N=c2nc(C3CC3)[nH]s2)C1 2325797116 MEMPOUSXDQBPMS-ZETCQYMHSA-N 269.351 0.851 0 50 CCAA NS(=O)(=O)[C@H]1CCCN(c2nccc3cnccc23)C1 2325809762 IGVMHSXNHBIBCH-NSHDSACASA-N 292.364 0.887 0 50 CCAA O=C(O)CCCn1c(=O)[nH]c2ccsc2c1=O 248562 WKIQTWKLNMZWBQ-UHFFFAOYSA-N 254.267 0.616 0 50 CCAA biogenic COCCNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 2941059 GLIVMCLMEPDPGC-NSHDSACASA-N 268.357 0.930 0 50 CCAA CC(C)(CO)C(=O)N1CCCN(C(=O)c2ccco2)CC1 20233616 SXYMNDJZDZMQHP-UHFFFAOYSA-N 294.351 0.973 0 50 CCAA COC[C@@H](NC(=O)c1c(O)cccc1O)c1ccnn1C 67587450 GWWMOVOVNLDLCU-SECBINFHSA-N 291.307 0.949 0 50 CCAA CNC(=O)c1ccc(S(=O)(=O)NCC2CC2)cc1 24434254 HQZRAAZIMBUXBS-UHFFFAOYSA-N 268.338 0.735 0 50 CCAA COCc1noc(CNC(=O)c2cc(C)nc(C)n2)n1 219515131 TVOCUAPTWCOCNM-UHFFFAOYSA-N 277.284 0.553 0 50 CCAA CCc1nc(C)ccc1OCC(=O)N1CCOC[C@H](O)C1 77470811 IGLATOIHOCEMFT-GFCCVEGCSA-N 294.351 0.551 0 50 CCAA CCS(=O)(=O)C1CN(C(=O)c2csnc2C)C1 331469353 GRXDPPXIKNNXNR-UHFFFAOYSA-N 274.367 0.711 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1C(=O)CCn1cccn1 366942804 HNAOIXBEYZZYED-QWRGUYRKSA-N 254.309 0.432 0 50 CCAA Cc1nc2ncc3c(=O)n(NC(=O)C(C)C)ccc3n2n1 38784064 BGGOEWIVTLOLFO-UHFFFAOYSA-N 286.295 0.474 0 50 CCAA Cc1ccn(CCC(=O)NCCCn2ccnn2)n1 219295319 LXXVWNCYFSCIKA-UHFFFAOYSA-N 262.317 0.380 0 50 CCAA O=C(NC1CCN(CCO)CC1)c1nc2ccccc2[nH]1 216264030 CDBVXPBMRQVZLL-UHFFFAOYSA-N 288.351 0.749 0 50 CCAA CN(C[C@@H]1CCCN1C)C(=O)N[C@H]1CC[C@@H](CN)C1 333229533 BRWSGHOEUACFSX-AGIUHOORSA-N 268.405 0.849 0 50 CCAA O=C([C@@H]1CCCN1)N1CC[C@@H](Oc2cccnc2)C1 237942706 FPZZAYHRAHHOKL-OLZOCXBDSA-N 261.325 0.813 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)COCc2ccccc2)C1 284994483 YKUMFRRCXVTEDI-UONOGXRCSA-N 279.336 0.811 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C[C@H](N)CS2(=O)=O)C1 215869160 HIXKKZAKBLIEPB-QMMMGPOBSA-N 276.358 0.122 0 50 CCAA Cc1cc(=O)[nH]cc1C(=O)N1CCCC[C@@H]1C(=O)O 159885516 JEQIDIKPVALAOJ-SNVBAGLBSA-N 264.281 0.763 0 50 CCAA N[C@@H]1CCN(c2cc(C(=O)N3CCCC3)ccn2)C[C@H]1O 82087610 MVLRNRDSTJRDII-CHWSQXEVSA-N 290.367 0.216 0 50 CCAA CCc1c(C(=O)N[C@@H]2CCCCNC2=O)ccn1C 289614105 RBDCUKHPRFYGIQ-LLVKDONJSA-N 263.341 0.986 0 50 CCAA COC[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1 178143815 IQDYZJGROKIGRP-KGLIPLIRSA-N 278.352 0.430 0 50 CCAA N[C@@H]1CC[C@@H](NC2CCN(C(=O)c3cnccn3)CC2)C1 82157345 FMGALIWSOFBDCE-DGCLKSJQSA-N 289.383 0.551 0 50 CCAA Cc1nn(C)c(Cl)c1C(=O)N(C)[C@H]1CCNC1 179101323 FTHLRWLPUMKAAB-QMMMGPOBSA-N 256.737 0.816 0 50 CCAA CCN(Cc1cccc(OCC(N)=O)c1)[C@H]1COC[C@@H]1O 97674228 JHXDWCLZLANPJG-KBPBESRZSA-N 294.351 0.132 0 50 CCAA CC(C)N1CCCN(C(=O)[C@H](C)CN2CCOCC2)CC1 341630565 FQPVTXONBIPUQC-OAHLLOKOSA-N 297.443 0.897 0 50 CCAA O=C(O)[C@H]1CN(C(=O)COC2CCCCC2)CCO1 299747365 CVJZHXRNYINVPI-LLVKDONJSA-N 271.313 0.648 0 50 CCAA CCN1C[C@H](NC(=O)c2cn3cccnc3n2)[C@@H](OC)C1 534581263 OTRJMWHAQMJZSE-JQWIXIFHSA-N 289.339 0.178 0 50 CCAA Cc1ncn(C)c1C(=O)N1CCN(C2CCCC2)C(=O)C1 299756858 IDBBAKKFQORCQQ-UHFFFAOYSA-N 290.367 0.956 0 50 CCAA COc1ncc(CN(C)C2CCS(=O)(=O)CC2)cn1 824852102 UJWYEMHIIHTCOQ-UHFFFAOYSA-N 285.369 0.494 0 50 CCAA Cn1c(O)nnc1CCNC(=O)c1ccc(F)cc1F 670449230 SJPPZHOXUVMVAH-UHFFFAOYSA-N 282.250 0.771 0 50 CCAA CC(=O)NCCC(=O)N[C@H](CO)c1ccc(F)cc1 670434569 KQPMPQAOZIFSLW-GFCCVEGCSA-N 268.288 0.502 0 50 CCAA CC[C@H](NC(=O)CSc1nc(N)n[nH]1)c1ncc(C)[nH]1 670434647 DJYNVYJQNXZWTB-ZETCQYMHSA-N 295.372 0.778 0 50 CCAA Cc1cc(=O)n(C)cc1NC(=O)[C@H]1C[C@H]1C(=O)O 268950144 PWONETDRYWGSSH-JGVFFNPUSA-N 250.254 0.353 0 50 CCAA CS(=O)(=O)NC(=O)c1cnc(-c2cnccn2)s1 1875390331 SCHGHMYSLJZLQM-UHFFFAOYSA-N 284.322 0.290 0 50 CCAA Cn1cnc2c(C(=O)NC3CCNCC3)ccnc21 1875311783 AHMXEQDRVDGBCT-UHFFFAOYSA-N 259.313 0.450 0 50 CCAA COC[C@@H](C)[C@H](C)C(=O)N1CCc2c(O)nc(O)nc2C1 1875307682 RHPADUBSNXUXGY-BDAKNGLRSA-N 295.339 0.691 0 50 CCAA CC(=O)N[C@@H]1CCC[C@@H]1Cn1cc(C(C)(C)O)nn1 952890221 VNIGOZNIVDJFCS-GHMZBOCLSA-N 266.345 0.810 0 50 CCAA CCN1CCN(CC(=O)N[C@H]2CCC[C@@H](CO)C2)CC1 952990545 WXFXOFHOLDYDOQ-KGLIPLIRSA-N 283.416 0.291 0 50 CCAA CC(C)[C@H]1C(=O)NCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1O2 245339316 RXQFNSCMOHOTIK-KXNHARMFSA-N 266.341 0.537 0 50 CCAA O=C(c1ccc2nc[nH]c2c1)N1CC(N2CCOCC2)C1 899211194 DHOCUOXNOADHLW-UHFFFAOYSA-N 286.335 0.720 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ncccc1O 701383726 RPMMZDWKOKBBBE-CYBMUJFWSA-N 280.280 0.493 0 50 CCAA CC[C@H]1CN2CCC[C@@H]2CN1C(=O)CCc1nn[nH]n1 631567382 GDQOPNGRNQOODL-WDEREUQCSA-N 278.360 0.218 0 50 CCAA C[C@H]1CN(CCn2nnn(-c3ccccc3)c2=O)CCO1 188274150 ZHRVLXCTAMYWHG-LBPRGKRZSA-N 289.339 0.150 0 50 CCAA CO[C@H](c1noc(COC2CN(C(C)=O)C2)n1)C1CC1 643967723 UMXAJEYXMJXWNF-LBPRGKRZSA-N 281.312 0.914 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)c1nc[nH]n1 647741406 FVVVGZWXKKVIML-GMTAPVOTSA-N 286.291 0.731 0 50 CCAA NS(=O)(=O)c1cccnc1N1CCC(C(=O)O)CC1 580836376 AEJSCKCBKKMPQH-UHFFFAOYSA-N 285.325 0.030 0 50 CCAA COCc1nc(OC)cc(N2CCc3n[nH]cc3C2)n1 682357313 HAVSLTBCGZPABX-UHFFFAOYSA-N 275.312 0.917 0 50 CCAA CN1CC[C@@](C)(CN(C)CC(=O)N2CCOCC2)C1 1529179971 HEBFDXMLLWYVDW-CQSZACIVSA-N 269.389 0.119 0 50 CCAA CC[C@]1(CO)CCCN(C(=O)c2cnnn2C)C1 407954803 FLEFEOAOGDHZLJ-LBPRGKRZSA-N 252.318 0.440 0 50 CCAA N[C@@H]1CC12CC(NC(=O)c1cccc3c1CCNC3)C2 1615545383 GLYKATAWMCUINQ-OFWKBQFLSA-N 271.364 0.942 0 50 CCAA Cc1noc([C@H](NC(=O)[C@H]2C[C@@H]2C(=O)O)C(C)C)n1 1615627907 UDZMTXNCPZMHHU-XHNCKOQMSA-N 267.285 0.912 0 50 CCAA Cc1onc(N)c1S(=O)(=O)N[C@@H]1CCn2nccc2C1 1615606469 YVCZSCBGVYRFHW-MRVPVSSYSA-N 297.340 0.055 0 50 CCAA Nc1ncc(Br)nc1N1CCOCC1 6745239 CWVGSOUZYXNHLF-UHFFFAOYSA-N 259.107 0.658 0 50 CCAA in-vitro Cc1nn(C)c(C)c1OCC(=O)N1CCC(CN)CC1 237717349 VMVFBDXRGBHEPO-UHFFFAOYSA-N 280.372 0.613 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(C)=O)CC1 336600275 RNIORJWCPHMJJL-OLZOCXBDSA-N 268.357 0.882 0 50 CCAA COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 16322916 NWRQXIQGLPCWCL-YUMQZZPRSA-N 273.285 0.727 0 50 CCAA Cc1cc(C)nc(CCNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)n1 1857710400 VPNYGTUGMIWKDV-YNEHKIRRSA-N 292.383 0.240 0 50 CCAA COC(=O)[C@@H]1CN(c2nnnn2C2(C)CCC2)C[C@@H](C)O1 1650048612 OPKCCCZAJOUOIO-ZJUUUORDSA-N 295.343 0.339 0 50 CCAA CN(C(=O)[C@@H]1COCCN1CC(F)F)[C@@H]1CCN=C1O 329577458 WBNWIDAVVWQHBP-BDAKNGLRSA-N 291.298 0.140 0 50 CCAA CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O 146783579 LMDVFSHGYANGRP-NEPJUHHUSA-N 262.309 0.574 0 50 CCAA biogenic Cn1ncc(CNC(=O)CCc2ccccc2C(=O)O)n1 911405036 OVVJBXDHZUNJDJ-UHFFFAOYSA-N 288.307 0.762 0 50 CCAA Cc1nonc1CN1CCN(C(=O)C2CCC2)CC1 222316344 YTTRQUJHOJYPCR-UHFFFAOYSA-N 264.329 0.822 0 50 CCAA C[C@H]1CC[C@@H](C)N1CCN1CCN([C@H](C)C(=O)O)CC1 237606519 HFEOPDDZJAJPQW-HZSPNIEDSA-N 283.416 0.950 0 50 CCAA CN1CCC2(CCN(C(=O)c3cccc(=O)[nH]3)CC2)C1 65374577 HAFMKXRAHKCBEO-UHFFFAOYSA-N 275.352 0.933 0 50 CCAA NCCc1ccc(CNC(=O)C23CCN(CC2)C3)cc1 715792833 RBOHEGVGZXFYPO-UHFFFAOYSA-N 273.380 0.900 0 50 CCAA COC(=O)c1ncn(C[C@H](O)c2nccs2)c1CO 643919635 UFCVMBFFEMQITC-QMMMGPOBSA-N 283.309 0.352 0 50 CCAA Cc1noc(C2(NC(=O)[C@H]3C[C@H](C)OC3=O)CC2)n1 2325804406 LAOPSLDHFBRPCN-POYBYMJQSA-N 265.269 0.435 0 50 CCAA C[C@H]1C[C@@H](NC(=O)c2cccn3nccc23)C(=O)O1 879988692 HOPZWYFRLDRLAM-WCBMZHEXSA-N 259.265 0.768 0 50 CCAA NC(=O)Cc1nc([C@H]2CC[C@@H](N)CC2)n([C@@H]2CCOC2)n1 2356135715 QIINVNTVFFMOHZ-OUAUKWLOSA-N 293.371 0.252 0 50 CCAA COCCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 6701443 XVEAJINELGICHN-UHFFFAOYSA-N 262.265 0.289 0 50 CCAA CCn1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cn1 6726593 UXJJYOFFQNITGZ-UWVGGRQHSA-N 273.358 0.701 0 50 CCAA CCS(=O)(=O)c1ncc(Cl)c(C(=O)O)n1 8325710 AOKXBGUBLBCEDO-UHFFFAOYSA-N 250.663 0.622 0 50 CCAA COC(=O)CSc1nc2[nH]c3c(c(=O)n2n1)CCCC3 100126418 RIZAPCJQMWHTGW-UHFFFAOYSA-N 294.336 0.562 0 50 CCAA CO[C@@H](C)CS(=O)(=O)N1C[C@@H](C)OC(C)(C)C1 249633851 VZUATZKAJUTWPD-ZJUUUORDSA-N 265.375 0.850 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)[C@@H](OC)c1ccccc1 67867071 XTKZRZVIUJUNJS-AVGNSLFASA-N 291.351 0.048 0 50 CCAA CC[C@@]1(C(N)=O)CCCN(C(=O)c2[nH]nc(N)c2Cl)C1 215157897 HPJFBPTXRUCPER-GFCCVEGCSA-N 299.762 0.763 0 50 CCAA Cc1noc(CN2CC=C(c3cnn(CCO)c3)CC2)n1 65369971 WAZKLYRQYWSKLZ-UHFFFAOYSA-N 289.339 0.856 0 50 CCAA C[C@]1(C(=O)NCc2ccc(CO)c(F)c2)CCCNC1=O 365266691 JJZCSJJMSARMAQ-HNNXBMFYSA-N 294.326 0.851 0 50 CCAA Cn1cnn(CC(=O)N2CCC[C@@H]2c2cccnc2)c1=O 371528222 KHPYBHNOIBUHJG-GFCCVEGCSA-N 287.323 0.341 0 50 CCAA C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)O 262412911 ADOINOZFJMEOSN-SSDOTTSWSA-N 271.294 0.293 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)CCn3ccnc3)[C@H]2C1 285995858 YPTMDUHOSJIDKJ-STQMWFEESA-N 278.356 0.205 0 50 CCAA C[C@H](NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)O 178831455 BXZSYZCOMRMNFU-JKUQZMGJSA-N 282.218 0.033 0 50 CCAA CC(C)Cc1cc(CNC(=O)CN2CCC[C@H](O)C2)on1 221355155 RFJSBOWMCGMUCP-ZDUSSCGKSA-N 295.383 0.946 0 50 CCAA Cc1nc(O)c2c(n1)CN(C(=O)c1[nH]nnc1C)C2 426652860 IGPHQDYORWOTGU-UHFFFAOYSA-N 260.257 0.073 0 50 CCAA CC1(C)CN(CC(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)C1 614763385 NUWXMWQPKHLOFV-SNVBAGLBSA-N 293.371 0.906 0 50 CCAA COC[C@@H]1CCCN1C(=O)NCc1n[nH]c(C)n1 426726699 FEMMRXLYUOUCMJ-VIFPVBQESA-N 253.306 0.434 0 50 CCAA CCN1CCC[C@H](C(=O)NCCc2ncc[nH]2)C1 426697308 IDQOAIDYGUWSCQ-NSHDSACASA-N 250.346 0.800 0 50 CCAA COC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 146141043 WAXMOMHFLRXQGF-UHFFFAOYSA-N 270.289 0.589 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc(CC)nc1 95388939 CXURCZAHZIGEPF-RYUDHWBXSA-N 278.356 0.488 0 50 CCAA CCc1ccnc(C(=O)NC[C@@H](O)CN2CCOCC2)c1 180769330 PDGBLBNMLJWUHA-CYBMUJFWSA-N 293.367 0.067 0 50 CCAA Cc1nnc2n1[C@@H](C)CN(C(=O)CCc1ccnn1C)C2 96180302 VZWVUVPXPWEHRF-JTQLQIEISA-N 288.355 0.856 0 50 CCAA C[C@H]1CN([C@@H](C)c2ncnn2CCO)C[C@@H](C)O1 91859742 XOCWJONMGQTSGX-AXFHLTTASA-N 254.334 0.441 0 50 CCAA O=C(O)CCn1cc(CN2CCN3CCC[C@H]3C2)cn1 247399371 NAUHKHNDEIITKN-ZDUSSCGKSA-N 278.356 0.638 0 50 CCAA NC(=O)[C@H]1CCCN1CCC(=O)NCc1cccs1 244646907 GRLOGRVGXYLRCT-LLVKDONJSA-N 281.381 0.704 0 50 CCAA CCc1nnc(CN(CCC(=O)NC)C(C)C)o1 244707846 KIRPKFKNTVSITQ-UHFFFAOYSA-N 254.334 0.979 0 50 CCAA Cn1nc(C(=O)O)c2c1CCN(CCN1CCCC1=O)C2 534593100 VVPVHWBYSAOHHN-UHFFFAOYSA-N 292.339 0.099 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2OC)CN1 299766688 FVGYJPCOKCAZDK-KOLCDFICSA-N 278.308 0.329 0 50 CCAA CC[C@@H](NC(=O)CCn1cnnn1)c1ncc(C)[nH]1 670461318 QEFWPOCGCSEQJR-SECBINFHSA-N 263.305 0.362 0 50 CCAA Cn1cncc1[C@@H]1CN(C(=O)CCOCC2CC2)C[C@H]1N 864353143 LJEVLNZFLUHISS-CHWSQXEVSA-N 292.383 0.490 0 50 CCAA Cc1cc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)on1 1076070771 KPDKNQURDYWXQW-OLZOCXBDSA-N 275.312 0.920 0 50 CCAA CCN1CCO[C@H](c2nc(-c3ccc(OC)nn3)no2)C1 896395673 SGHUEZSZOXZCMY-JTQLQIEISA-N 291.311 0.928 0 50 CCAA COCc1cc(CNC(=O)[C@@H]2C[C@H](OC)CN2)ccc1F 583617499 FIRFOJCPNVUCOH-JSGCOSHPSA-N 296.342 0.965 0 50 CCAA CS(=O)(=O)N1CCC[C@@H]1CNc1cnccn1 269873042 ODRVWAQEODZRRC-SECBINFHSA-N 256.331 0.313 0 50 CCAA CC(C)[C@H](CCO)NC(=O)C(C)(C)CN1CCOCC1 585129786 WMUJQDPMWWLKHH-ZDUSSCGKSA-N 286.416 0.868 0 50 CCAA Cc1ccc2oc(N3C[C@@H](C(N)=O)[C@@H](C(N)=O)C3)nc2c1 585117946 GABOLNDOYLUEDC-DTORHVGOSA-N 288.307 0.159 0 50 CCAA CCn1cc(S(=O)(=O)N(C)[C@@H](C)C[S@@](C)=O)cn1 274646904 BDXGKVHHCQDGQZ-HUTHGQBESA-N 293.414 0.291 0 50 CCAA O=C(N[C@@H]1CCNC[C@H]1O)c1ccc(O)c(Cl)c1 77470965 NPEHJLHCDNXFBO-MWLCHTKSSA-N 270.716 0.498 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1ncn(CC(=O)NC)n1 277033056 OBSOUHMEOIBMLH-UWVGGRQHSA-N 295.343 0.168 0 50 CCAA COCCn1c(C)cc(C(=O)COC(=O)[C@@H](C)O)c1C 170637761 GECPVUOMRPARLK-LLVKDONJSA-N 283.324 0.858 0 50 CCAA Cc1csc2nc(CS(=O)(=O)N(C)C)[nH]c(=O)c12 190412757 DMSAUNGNTDKMGF-UHFFFAOYSA-N 287.366 0.684 0 50 CCAA O=C([C@H]1CCCN1)N1CCC([C@H](O)C(F)(F)F)CC1 195554392 AGQLRGJTNKELIU-ZJUUUORDSA-N 280.290 0.900 0 50 CCAA NC[C@@H](NC(=O)c1cnc(C(=O)O)cn1)C1CCCCC1 567617822 WFSKCKJDARTBIV-SNVBAGLBSA-N 292.339 0.812 0 50 CCAA C[C@H]1CCOCCN1C(=O)c1cccn2c(O)nnc12 781013509 MOFLHPFTIRQPGG-VIFPVBQESA-N 276.296 0.686 0 50 CCAA CN(CCN1CCCC1)c1cc(NCCO)ncn1 1506399648 IKWLRSXEKXBTHH-UHFFFAOYSA-N 265.361 0.413 0 50 CCAA Cc1c(NC(=O)C[C@@H]2C(=O)NCCN2C(C)C)cnn1C 1529147350 WXTKBKOIJZQMPH-GFCCVEGCSA-N 293.371 0.266 0 50 CCAA Cn1ccnc1NC(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1 1529101643 JHWLJTICBOYFOA-AOOOYVTPSA-N 289.343 0.706 0 50 CCAA OC[C@H]1CCCCN1CCN=c1cc[nH]cc1F 1529185584 OEQQRLSBDRQXGY-LLVKDONJSA-N 253.321 0.901 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)Cn1cc(Cl)cn1 335960921 VVWZRZMLBOYLCB-QMMMGPOBSA-N 270.720 0.274 0 50 CCAA Cc1cc(C[C@@H]2CN(c3cc(CO)ccn3)C[C@H]2O)on1 1704304149 AVFBSZUUDRTJQT-TZMCWYRMSA-N 289.335 0.910 0 50 CCAA C[C@H](O)[C@@H](O)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O 1616033658 RZGMDEAGCUFMSS-WBIUFABUSA-N 277.320 0.445 0 50 CCAA CN(C[C@@H]1CCC(=O)N(C)C1)CC1(CO)CCOCC1 1775978931 QYFITYKKFIKOHY-ZDUSSCGKSA-N 284.400 0.576 0 50 CCAA Cc1ccc(CC(=O)NCCN2CCOCC2)cc1 19808127 ZYUUSGWDWOTLNT-UHFFFAOYSA-N 262.353 0.986 0 50 CCAA CO[C@@H]1CC[C@H](C(=O)NCCc2cnn(C)c2)C[C@H]1N 1857733906 FFTLIYGQKIUQSS-YNEHKIRRSA-N 280.372 0.221 0 50 CCAA COc1ncc(NC(=O)[C@]2(C)CCCNC2)cc1C(N)=O 237183671 RRFAJEJDUOIWCR-CQSZACIVSA-N 292.339 0.517 0 50 CCAA CCC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 663015212 KQQPDHSNEOGUGM-GFCCVEGCSA-N 291.399 0.935 0 50 CCAA COC[C@H](CO)NC(=O)CCc1ccc(N(C)C)cc1 234719039 DPSBVMTYZSRETC-ZDUSSCGKSA-N 280.368 0.809 0 50 CCAA C[C@H](C(=O)O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 263567301 XJRINQWCYGMUGS-SGIHWFKDSA-N 253.298 0.781 0 50 CCAA COC(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1N(C)C 615296684 FCWVWRTWAYIPOE-GHMZBOCLSA-N 292.401 0.342 0 50 CCAA O=C(O)CN1CCC(NC(=O)[C@H]2CCCCO2)CC1 426374300 PHSUQESCNGNFMC-LLVKDONJSA-N 270.329 0.221 0 50 CCAA Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1Cl 426658189 HSFRYMIVQBFZMZ-KNVOCYPGSA-N 271.704 0.975 0 50 CCAA CN(CCCn1cccn1)C(=O)c1csc(N)n1 584890858 KPBKJUOWGRJUIX-UHFFFAOYSA-N 265.342 1.084 0 50 CCAA C[C@@H]1CCN(C(=O)NCc2cnn(C)n2)C[C@@H]1C(=O)O 693431775 QJUMFUYCBZMGDO-SCZZXKLOSA-N 281.316 0.067 0 50 CCAA NCc1cccc(C(=O)NCCCc2nn[nH]n2)c1 392718548 SYOSCCOZNJHMMH-UHFFFAOYSA-N 260.301 0.021 0 50 CCAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 142548 QJFBJMPAGZRTQU-UHFFFAOYSA-N 282.321 0.860 0 50 CCAA O=S(=O)(O)NC[C@H](O)COc1ccc2ccccc2c1 3155693 RJCMSCBTRUGBQN-LBPRGKRZSA-N 297.332 0.972 0 50 CCAA CCOC(=O)C(C(=O)OCC)[C@@H]1C=CS(=O)(=O)C1 4745586 OBJCFNOZRVGMTK-MRVPVSSYSA-N 276.310 0.287 0 50 CCAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccon2)C1 6744715 FWDZVNIFKRSXTC-VIFPVBQESA-N 287.341 0.675 0 50 CCAA C[C@@H]1CN(CNC(=O)[C@@H](O)c2ccccc2)C[C@@H](C)O1 102188837 NRXIDDDXFLVSRX-BZPMIXESSA-N 278.352 0.903 0 50 CCAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](N)[C@@H]1N 101135855 AIOJNMKYPYMIQY-IKKURHKOSA-N 280.324 0.127 0 50 CCAA CCN1C[C@@H](NC(=O)COc2ccccc2O)CC1=O 67819212 OJLBBOTXCJOOSU-JTQLQIEISA-N 278.308 0.508 0 50 CCAA Cn1c(C(=O)N[C@H]2COC[C@@H]2O)cc2ccccc21 219923213 RCOVTXZGFUFOAQ-GWCFXTLKSA-N 260.293 0.668 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1nccn2ccnc12 282269414 UMGTXDFREMIATL-BDAKNGLRSA-N 273.296 0.126 0 50 CCAA CN1CCN(CCn2cnc3sccc3c2=O)CC1 32533037 PRWDEIZZYJJVRS-UHFFFAOYSA-N 278.381 0.705 0 50 CCAA CCCc1occc1C(=O)N1CC[C@@H]2OCC(=O)N[C@@H]2C1 253394736 AMOQOSRQKVXPGH-YPMHNXCESA-N 292.335 0.962 0 50 CCAA COC(C)(C)C[C@H](C)NCCS(=O)(=O)N(C)C 67982325 SPQVBMLZLFHLPW-JTQLQIEISA-N 266.407 0.671 0 50 CCAA CS(=O)(=O)NCc1nc(-c2ccccc2)no1 33589787 YOYDYLFRICGGBO-UHFFFAOYSA-N 253.283 0.786 0 50 CCAA Cc1cc(C2CCC2)nc(N(C)C[C@H](O)CO)n1 71746884 LBDNVSWOHYWAMI-NSHDSACASA-N 251.330 0.842 0 50 CCAA CN(Cc1ccccc1)c1cnn(C[C@@H](O)CO)c(=O)c1 72140253 HUCZEYWYYFHRNY-CQSZACIVSA-N 289.335 0.233 0 50 CCAA CSCC(=O)N[C@H]1CCCN(c2cnccn2)C1 216166414 IIBDWBUSPKCGER-JTQLQIEISA-N 266.370 0.925 0 50 CCAA NCc1nc(CN2C(=O)c3ccccc3C2=O)no1 217036752 BKMSJTBWORBZGS-UHFFFAOYSA-N 258.237 0.325 0 50 CCAA NCc1ccc(C(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 237903895 BHBOVOCTEZOGLW-LBPRGKRZSA-N 275.352 0.873 0 50 CCAA O=c1c2cccc(F)c2ncn1C[C@@H]1COCCO1 43125037 BUSGHAXDEJDGGB-SECBINFHSA-N 264.256 0.951 0 50 CCAA O=C(c1cnc(O)cn1)N1CCN(C2CCOCC2)CC1 223751664 VQDDLIHEYORJQP-UHFFFAOYSA-N 292.339 0.119 0 50 CCAA COC(=O)[C@@]12CCCC[C@@H]1CN(S(=O)(=O)N(C)C)C2 225452665 UHDHNIHRFZCNRA-ZYHUDNBSSA-N 290.385 0.458 0 50 CCAA CNC(=O)Cn1cnc(NC(=O)[C@@H](C)C2CC2)n1 178517862 BQHMRTPEDHWAQI-ZETCQYMHSA-N 251.290 0.009 0 50 CCAA O=C(NCc1cccs1)NC[C@]1(O)CCCNC1 426512283 ORLCCHUMLWFQRJ-LBPRGKRZSA-N 269.370 0.662 0 50 CCAA CNC(=O)C(C)(C)NC(=O)c1ccc2[nH]c(CO)nc2c1 97570972 VKRSOUBUIUGJEZ-UHFFFAOYSA-N 290.323 0.310 0 50 CCAA Cn1nc2c(c1C(=O)NCCN1CCNC1=O)CCCC2 244584429 CZCYJDUXKMACLE-UHFFFAOYSA-N 291.355 0.054 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)C1(N2CCCC2)CCCC1 534650924 YUABLUXFQIEPLP-KBPBESRZSA-N 295.427 0.840 0 50 CCAA CC(C)[C@H](CNc1cncc(C(N)=O)n1)N(C)C 534633520 GTNOIZWYMRTWPP-JTQLQIEISA-N 251.334 0.574 0 50 CCAA COC(=O)c1cc(O)cc(C(=O)N2C[C@@H]3CCN[C@@H]3C2)c1 534575977 WPQCPPVOYVJCPS-TVQRCGJNSA-N 290.319 0.613 0 50 CCAA Cc1cc(C(F)(F)F)nn1CCNC(=O)c1ncn[nH]1 299788090 RNMUCCAEKRLSOZ-UHFFFAOYSA-N 288.233 0.758 0 50 CCAA O=C(N[C@H]1CCCNC1=O)C1Cc2ccccc2C1 295839583 RLHAQAGDJKMWGY-ZDUSSCGKSA-N 258.321 0.796 0 50 CCAA CCN1CCN(CC(=O)NCCNc2cccnc2)CC1 823112757 COLVVUXBOSLATH-UHFFFAOYSA-N 291.399 0.247 0 50 CCAA CC(C)Cc1cc(CNC(=O)CCS(C)(=O)=O)on1 821483331 HJABKXSIZQCMNZ-UHFFFAOYSA-N 288.369 0.924 0 50 CCAA O=C(CCc1ccncc1)NC1CCS(=O)(=O)CC1 670455095 CVWUTHRKBKFECS-UHFFFAOYSA-N 282.365 0.708 0 50 CCAA CC(=O)N[C@@H]1CC12CCN(CCC1OCCO1)CC2 952894006 LITSYUCZXVGNDR-GFCCVEGCSA-N 268.357 0.740 0 50 CCAA O=C(N[C@H](CO)c1ccccc1)[C@H]1CCn2ncnc2C1 1875283494 UOTQGBGHUVXQJD-QWHCGFSZSA-N 286.335 0.690 0 50 CCAA Cc1sc2ncc(C(=O)NOC[C@@H](C)O)c(=O)n2c1C 1875295643 MNMYMWZQSYJALQ-ZCFIWIBFSA-N 297.336 0.415 0 50 CCAA CN(C)C/C=C/C(=O)NCC[C@@H]1CC(C)(C)NC1=O 1875377060 QZTQBLWXUXGLFC-MVIFTORASA-N 267.373 0.525 0 50 CCAA C[C@@]1(O)CCCN(C(=O)/C=C/c2cnc(N)nc2)C1 952982100 JSPHCKSTOQZPRH-ITDFMYJTSA-N 262.313 0.445 0 50 CCAA O=S(=O)(c1cnc[nH]1)N1CCC(Cc2cc[nH]n2)CC1 1775987199 MVVIKOBFMXGUPI-UHFFFAOYSA-N 295.368 0.776 0 50 CCAA Cc1nc2ccccc2nc1CN1C[C@H](CO)[C@@H](CO)C1 1565528959 NZSDPFCIELKPIN-CHWSQXEVSA-N 287.363 0.971 0 50 CCAA CCCS(=O)(=O)N1CCN(Cc2ccccn2)CC1 19842796 ZIWRUKXGBKHHDJ-UHFFFAOYSA-N 283.397 0.939 0 50 CCAA C[C@@H]1COCCN1Cc1cn(-c2ccccc2CO)nn1 899710681 HFTZBGRYDMUDFN-GFCCVEGCSA-N 288.351 0.980 0 50 CCAA CO[C@H](C)CS(=O)(=O)N(CCO)c1cccc(F)c1 193337990 PFSUGXHFQLMCRY-SNVBAGLBSA-N 291.344 0.989 0 50 CCAA CCN1C[C@@H](CNC(=O)[C@@H](CC(C)(C)C)NC)CC1=O 653251380 XEJWHBSNIAICBJ-VXGBXAGGSA-N 283.416 0.995 0 50 CCAA CC1CN(C(=O)CC2CCN(S(C)(=O)=O)CC2)C1 655033281 YUJNZVRAYJMCTA-UHFFFAOYSA-N 274.386 0.526 0 50 CCAA CN=c1nc(C(=O)N2CCC[C@@H](CC(=O)O)C2)cc(C)[nH]1 580042574 OZWPUSIIZSFPMC-JTQLQIEISA-N 292.339 0.576 0 50 CCAA O=C(C(C1CC1)C1CC1)N1CC[C@@](O)(c2cnn[nH]2)C1 583619133 SBJPIUNBHCYGPS-AWEZNQCLSA-N 276.340 0.661 0 50 CCAA CCN(Cc1ccncc1)C(=O)c1ccc2c(c1)COB2O 584937040 PQHZYLVXGPQZPD-UHFFFAOYSA-N 296.135 0.962 0 50 CCAA Cc1nc(N)nc(N2CCN(CCC(N)=O)CC2)c1Cl 1506407693 PTCJANPJDLFZHK-UHFFFAOYSA-N 298.778 0.018 0 50 CCAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1[nH]nnc1C 1506422771 UTCOUSHDFSSTMN-JTQLQIEISA-N 279.344 0.586 0 50 CCAA CC(C)=CCN1CCC(CNC(=O)[C@H]2CNC(=O)C2)CC1 1506410991 YSTSQWRFHVLOAB-CQSZACIVSA-N 293.411 0.917 0 50 CCAA Cc1nc(N2CC[C@@]3(CNC(=O)CO3)C2)c2cccnc2n1 1800409739 KMKXMOUEYOKTSE-OAHLLOKOSA-N 299.334 0.429 0 50 CCAA CC1(C)[C@H](O)C[C@H]1NC(=O)C(C)(C)S(C)(=O)=O 129257345 UCMFNOVYBZGJRP-HTQZYQBOSA-N 263.359 0.085 0 50 CCAA CCN(CC(=O)N1CC(F)(F)C[C@H]1CO)C1CC1 364601172 OMWOTZYMWSXCHC-JTQLQIEISA-N 262.300 0.699 0 50 CCAA Cc1[nH]nc(C(=O)N[C@@]23CCCN(CC2)C3)c1O 1636245537 WRZQIGRANUMFAI-LBPRGKRZSA-N 250.302 0.392 0 50 CCAA O=C(c1ccc2c(c1)OCO2)N1CCC([C@@H](O)CO)CC1 1772709481 NVFZUJGWBRGYCA-LBPRGKRZSA-N 293.319 0.621 0 50 CCAA CC(=O)c1cnc(NC[C@@H]2CN(C)CCN2C)nc1C 1772700263 BFMKJOAPRYEQDO-GFCCVEGCSA-N 277.372 0.645 0 50 CCAA CCCc1nc(C)cc(N2C[C@H]3[C@@H](C2)C3(CO)CO)n1 1772814735 QCVUYAQHZYVYQC-TXEJJXNPSA-N 277.368 0.775 0 50 CCAA O=C(c1n[nH]c2c1CCCC2)N1CCC([C@H](O)CO)CC1 1772704110 IPULZKOKLKGTFD-CYBMUJFWSA-N 293.367 0.494 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1n[nH]c3c1CCC3)C2 1857723306 ZHXMEKQAWDFHBH-QWRGUYRKSA-N 290.367 0.301 0 50 CCAA NC(=O)c1c[nH]c(C(=O)NCC[C@H]2CCCNC2)c1 262610554 DXAMUSIEPBTPQO-SECBINFHSA-N 264.329 0.233 0 50 CCAA O=C(NCc1ccc(-n2cncn2)cc1)[C@]1(F)CCNC1 827149711 SPMYOFCALCPLKC-AWEZNQCLSA-N 289.314 0.585 0 50 CCAA C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(C)CCNC2)CCN1C 237586269 PSZWLOFMBDIYRS-BZPMIXESSA-N 253.390 0.927 0 50 CCAA O=C(CSc1ccccc1)N[C@H]1CNCC[C@H]1O 534662699 CFMNVVDEDWDJQV-NWDGAFQWSA-N 266.366 0.618 0 50 CCAA CCC(=O)N[C@@H](CC)CNC(=O)c1ccnc2[nH]cnc12 1430617280 RVXQDZVXACKKCP-VIFPVBQESA-N 289.339 0.993 0 50 CCAA O=C(O)C[C@@H]1NC(=S)N(Cc2ccccc2)C1=O 34236 AMROWGDRHJNHAR-VIFPVBQESA-N 264.306 0.747 0 50 CCAA O=C(O)c1ccc2c(c1)C(=O)N(c1ncccn1)C2=O 238796 IUHFHKXIELVUJV-UHFFFAOYSA-N 269.216 0.975 0 50 CCAA O=C(Cc1ccc(CO)cc1)N1C[C@H]2COC[C@@]2(CO)C1 2356137495 NFQPJUNMFRINGE-HOCLYGCPSA-N 291.347 0.189 0 50 CCAA CC(C)N1CCNC(=O)[C@H]1CC(=O)NC1(CO)CCCC1 55042505 RIYGBDBFTGDNNI-GFCCVEGCSA-N 297.399 0.007 0 50 CCAA Cc1ccc(CN(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 20586709 FEBWNDWLNRCBSD-NSHDSACASA-N 275.308 0.552 0 50 CCAA CC(C)(C)OC(=O)NOCCOCCOCCO 34758880 MSPPJFIQLDPGQQ-UHFFFAOYSA-N 265.306 0.468 0 50 CCAA CCN1CCN(C(=O)[C@@H](C)COC)C[C@H]1c1ncc[nH]1 328642748 YLNBMNSNAYQNGN-RYUDHWBXSA-N 280.372 0.897 0 50 CCAA O=c1c(=N[C@H]2CCO[C@@]3(CCOC3)C2)[nH]ccn1C1CC1 329492418 TWYRFCBELGWEJW-NHYWBVRUSA-N 291.351 0.750 0 50 CCAA COc1cc(N2CCOC[C@@H](CN(C)C)C2)ncn1 72141753 TUMSCHFQELPBFX-NSHDSACASA-N 266.345 0.500 0 50 CCAA Cc1ncc(CN2CCC(C(=O)N3CCOCC3)CC2)[nH]1 215131897 KPVQRRLJFAFXED-UHFFFAOYSA-N 292.383 0.789 0 50 CCAA CC(C)n1ccc(C(=O)NCCS(C)(=O)=O)n1 215395716 NLTBQXRODBGEHR-UHFFFAOYSA-N 259.331 0.238 0 50 CCAA CCN(C[C@@H]1CCCNC1)[C@H]1CCS(=O)(=O)C1 261542238 OCLDYOOVPYGQBX-NEPJUHHUSA-N 260.403 0.495 0 50 CCAA c1cncc([C@@H](CNc2ncncn2)N2CCOCC2)c1 219186752 ZWMFCXXWEQPRAF-CYBMUJFWSA-N 286.339 0.752 0 50 CCAA CC(C)Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2O)nc(N)n1 219584218 MHINUDTWEHIVBX-ZYHUDNBSSA-N 294.355 0.137 0 50 CCAA CCc1c(C)cc(C(=O)N2CCOC[C@@H](O)C2)c(=O)n1C 77506017 MGFWZMDNGJMABO-NSHDSACASA-N 294.351 0.089 0 50 CCAA COCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 219093681 KODLMGMCOAKPBN-ZIAGYGMSSA-N 295.335 0.478 0 50 CCAA COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CO)O1 214465857 QLSZIUDKMLYFGR-DTWKUNHWSA-N 275.301 0.156 0 50 CCAA O=C(C(=O)N1CCCC12CCC2)N1CC[C@H]2NCC[C@@H]2C1 335196776 NYCDPPFSCQXEPM-CHWSQXEVSA-N 291.395 0.742 0 50 CCAA Cc1ccsc1C(=O)N[C@@H]1CCOC[C@H]1OCCO 219380735 IPDXDTDAQSGFRR-GHMZBOCLSA-N 285.365 0.953 0 50 CCAA Cc1noc(C)c1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)O 222262470 TVSGTPUGIPBJMQ-ZJUUUORDSA-N 298.295 0.280 0 50 CCAA CCn1cc(CN(C(=O)[C@@H]2CCNC2=O)C(C)C)cn1 616545783 DRHYDCGECFOCKL-GFCCVEGCSA-N 278.356 0.776 0 50 CCAA NC(=O)c1ccc(N2C(=O)C[C@@H](NCC3CC3)C2=O)cc1 83251955 WMSKFVBILBIKGL-GFCCVEGCSA-N 287.319 0.417 0 50 CCAA CN(C(=O)c1cn(Cc2ccccc2)nn1)[C@@H]1CCNC1 179088446 SOTPMZNISAKKDW-CYBMUJFWSA-N 285.351 0.760 0 50 CCAA CCN1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1c1ncc[nH]1 328624429 JWIJHVPNGYIJEJ-GFCCVEGCSA-N 288.355 0.581 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)Cc1cc(C2CC2)no1 614456506 RYUIKJDURJRLPF-KCJUWKMLSA-N 277.324 0.878 0 50 CCAA O=C(NCc1ccsc1)c1ccnn1CCO 426719797 DXQYNDKOMPXQKY-UHFFFAOYSA-N 251.311 0.867 0 50 CCAA CC(C)(F)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1 236773155 CAUCBCSJZVILQU-NWDGAFQWSA-N 299.390 0.841 0 50 CCAA CN1CCC[C@H](CN(C)Cc2[nH]c(=O)[nH]c2C(=O)O)C1 97815123 HQMLPGLVYYJKPD-VIFPVBQESA-N 282.344 0.175 0 50 CCAA Nc1nc(NC[C@@H]2CCCO2)cc([C@H]2C[C@@H](N)C2)n1 243956739 CCZSJNRMFLYKPK-AEJSXWLSSA-N 263.345 0.854 0 50 CCAA CCc1nc(C)c(CNC(=O)C2=NNC(=O)CC2)s1 252495632 OUUXQJALCWPTCZ-UHFFFAOYSA-N 280.353 0.896 0 50 CCAA Cc1noc(C)c1CN1CCN(C(=O)c2cn[nH]c2)CC1 298728441 GJVROFVOWPCJBY-UHFFFAOYSA-N 289.339 0.973 0 50 CCAA CN(CC(=O)NCCc1cc[nH]n1)C1CCCC1 534649424 RHUQLUWVANYPCW-UHFFFAOYSA-N 250.346 0.943 0 50 CCAA CN(C)c1nc(O)cc(C(=O)N=c2cc[nH]cc2)n1 361496219 SXKXTLGQHLAVOQ-UHFFFAOYSA-N 259.269 0.317 0 50 CCAA CCN(Cc1nc(C)no1)C[C@H]1CC(=O)N(CCOC)C1 299801555 YMNYJZUOLZHQHW-GFCCVEGCSA-N 296.371 0.695 0 50 CCAA Cc1noc(C)c1CCCNC(=O)CCS(C)(=O)=O 827819880 AEJFIQYNUPXIHE-UHFFFAOYSA-N 288.369 0.775 0 50 CCAA CN(C)CC1(CO)CCN([C@@H]2CCCOC2)CC1 584900893 OFROZKOBNKIWBC-CYBMUJFWSA-N 256.390 0.802 0 50 CCAA CCNc1ccnc(NCCN2CCC(CO)CC2)n1 584897863 GCWMWBXWQDWDCG-UHFFFAOYSA-N 279.388 1.025 0 50 CCAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]nnc1C 584885693 SLRUHYLKZRCUCW-MYJAWHEDSA-N 250.302 0.895 0 50 CCAA CN1C[C@@H]2CCC[C@H]1CN(S(=O)(=O)c1cn[nH]c1)C2 823806840 YWMBOMYPSUHVFO-QWRGUYRKSA-N 284.385 0.515 0 50 CCAA COCC[C@H]1CN(C(=O)CCN2CCCCC2=O)CCO1 584899856 FHRBBDJYUIKSCM-ZDUSSCGKSA-N 298.383 0.653 0 50 CCAA CCNC(=O)[C@@H]1CCN(C(=O)CN(C)C2CCCC2)C1 670472350 GIIABASPWFNNHX-GFCCVEGCSA-N 281.400 0.845 0 50 CCAA O=C(O)C1(C(=O)N2CCOc3cc(O)ccc3C2)CC1 863981896 SGQKQOAJNBWGPV-UHFFFAOYSA-N 277.276 0.978 0 50 CCAA O=C(CCCn1cnnn1)N1CCc2nocc2C1 670452720 WMVHHEURFVWZLY-UHFFFAOYSA-N 262.273 0.026 0 50 CCAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cc(F)c[nH]1 1875403678 YFVUURAALHQFTL-IRUJWGPZSA-N 292.314 0.920 0 50 CCAA O=C(C[C@H]1C(=O)Nc2ccc(F)cc21)NC1(CO)CC1 1875280425 IFULXQWXBGGCKD-SNVBAGLBSA-N 278.283 0.893 0 50 CCAA CN(Cc1nnc(O)o1)C(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2 1875293736 APVSEWJEZKBNFY-HRDYMLBCSA-N 267.285 0.549 0 50 CCAA CC(C)NC(=O)[C@H](c1ccccc1)n1cc(CO)nn1 1875282756 RAMSCMWSLITFSB-ZDUSSCGKSA-N 274.324 0.884 0 50 CCAA C[C@@H](O)CONC(=O)c1cccn(C2CC2)c1=O 1875396693 REMKYZDDIMRBTM-MRVPVSSYSA-N 252.270 0.225 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCOC[C@H]2C2CC2)C1 1875387168 SAFDIDUTJLVYKQ-LBPRGKRZSA-N 264.325 0.268 0 50 CCAA COC(=O)NCCNC(=O)[C@@H](C)c1cccc(O)c1 877870628 DGXAWIRCRBMFRO-VIFPVBQESA-N 266.297 0.968 0 50 CCAA CO[C@@H]1CN(CCn2cccn2)C[C@H]1c1cn(C)nn1 886071910 HLNDPYUJKPBYDA-WCQYABFASA-N 276.344 0.126 0 50 CCAA C[C@](Cn1cccn1)(NC(=O)C1CCCC1)C(N)=O 889645953 AYUZBGWDQKFOIX-CYBMUJFWSA-N 264.329 0.434 0 50 CCAA CS(=O)(=O)C[C@H](O)CNc1nc2c(F)cccc2o1 896190799 HZOAKWOHBWRIFO-SSDOTTSWSA-N 288.300 0.784 0 50 CCAA C[C@]1(O)CCN(C(=O)C(=O)CCc2ccccc2)C[C@H]1O 1565510217 JZMCNEHISPPFGB-ZBFHGGJFSA-N 291.347 0.533 0 50 CCAA Cc1ccc2c(n1)OCCN2C(=O)C(C)(C)S(C)(=O)=O 408310442 RYLFPQAVYUEQRD-UHFFFAOYSA-N 298.364 0.939 0 50 CCAA C[C@@H]1CN(S(=O)(=O)C[C@H]2CN(C)CCO2)CC[C@H]1C 632165040 UVZSZLILNLXSEP-JHJVBQTASA-N 290.429 0.625 0 50 CCAA O=C(NC[C@H]1CCc2nccn2C1)c1ccc2nncn2c1 275812908 DVPOTCCPJUGWPV-LLVKDONJSA-N 296.334 0.918 0 50 CCAA COc1nccc(NC(=O)N2CCNC(=O)[C@@H]2C(C)C)n1 276533850 NIRAXMQRUQZKLA-JTQLQIEISA-N 293.327 0.474 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1cnn(CC(N)=O)c1 277110679 XWVREWYOQKKWHF-WDEREUQCSA-N 280.328 0.512 0 50 CCAA O=C(CN1CCC[C@H]1c1cn[nH]c1)N=c1cco[nH]1 639782523 XRYFFACMFTUPOM-JTQLQIEISA-N 261.285 0.595 0 50 CCAA O=C(O)C1(O)CN(S(=O)(=O)c2ccc(Cl)s2)C1 706456139 CGHOYPGRYGXEQT-UHFFFAOYSA-N 297.741 0.222 0 50 CCAA O=C(c1ccncc1F)N1CCOC[C@@]12CCOC2 194415893 JLHDOUZICRHWMG-ZDUSSCGKSA-N 266.272 0.852 0 50 CCAA Cn1c(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc2ccccc2c1=O 652791164 CNSQMXHESWDFJI-PHIMTYICSA-N 299.330 0.532 0 50 CCAA Cc1cnc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c(O)c1 570921522 QZOAQBUYEBAIKG-MNOVXSKESA-N 261.325 0.872 0 50 CCAA CO[C@@H](C(=O)N[C@@H]1CCC[C@@H]1C(=O)O)[C@@H]1CCOC1 659154878 WGXVBKLRAQNUNC-LMLFDSFASA-N 271.313 0.407 0 50 CCAA CCN1CCO[C@@H](C(=O)Nc2cc(CCO)ccn2)C1 576360175 MYGBETVKZUHMAQ-GFCCVEGCSA-N 279.340 0.276 0 50 CCAA CC1=C(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)OCCO1 1506428375 QGBAPTOGMIKUFI-UHFFFAOYSA-N 293.327 0.371 0 50 CCAA CO[C@@H](CC(C)C)C(=O)N1CCN2C(=O)NC[C@@H]2C1 416170776 MBJBDBRYVHXPNX-MNOVXSKESA-N 269.345 0.284 0 50 CCAA C[C@@H]1CN(C[C@@H](O)CC2(O)CCOCC2)C[C@@H]1N(C)C 630044773 YWTPLAWMLVAOTR-RDBSUJKOSA-N 286.416 0.161 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)N1CCC=C(F)C1 644417157 LNYQBTXBZGGHCQ-NSHDSACASA-N 270.304 0.446 0 50 CCAA N[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CO 16697408 YXCPNFNWSNFFFZ-RYUDHWBXSA-N 250.298 0.575 0 50 CCAA in-vitro O=C([C@@H]1CCCN1)N1CC[C@@](O)(C(F)(F)F)C1 261547888 IUZFQMBRZIYVDT-CBAPKCEASA-N 252.236 0.264 0 50 CCAA O=C(CN1C[C@H]2CNC[C@]2(CO)C1)NC1CCCCCC1 1772811314 SXJFBTUBBHAERF-CZUORRHYSA-N 295.427 0.339 0 50 CCAA CN1C[C@H](CN2CCN(CC3CC3)CC2)CCC1=O 1775979009 DPKMZGPDMGDKCC-CQSZACIVSA-N 265.401 0.882 0 50 CCAA OCCOc1ccc(CN2C[C@H]3[C@@H](C2)C3(CO)CO)cc1 1772805917 RMGXSODVZIIUCS-GASCZTMLSA-N 293.363 0.090 0 50 CCAA Cc1nsnc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](C)CN2C1 1857708228 WOZYFGUIDJNTOC-SFGNSQDASA-N 282.369 0.438 0 50 CCAA O=C(c1cccc(O)c1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857716517 BYOAQQSDNVBUJM-DOMZBBRYSA-N 288.303 0.566 0 50 CCAA Cn1ccnc1CN1CCN2[C@@H](C3CC3)COC[C@H]2C1 1875246377 OSICNVDEOQWCIE-ZIAGYGMSSA-N 276.384 0.715 0 50 CCAA OC[C@@H]1CN(Cc2nnc(-c3cccnc3)o2)CC[C@@H]1O 1875243664 RCFGOEFXNVAXKR-RYUDHWBXSA-N 290.323 0.307 0 50 CCAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCOC[C@H]1C(=O)O 262523332 RCPIZMBFJFRPEJ-KCJUWKMLSA-N 295.339 0.452 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCC[C@@](O)(CC(N)=O)C1 818464137 KMONOHMRBWBCID-CYBMUJFWSA-N 265.313 0.166 0 50 CCAA O=C(CN1CCC[C@H]1c1nc[nH]n1)Nc1nncs1 931135100 BOXIMPGKWRTMEK-ZETCQYMHSA-N 279.329 0.432 0 50 CCAA CC(C)(C)OC(=O)[C@]1(C)CCN(c2nc(N)nc(N)n2)C1 858566435 UQKGUOWVQVKLBT-CYBMUJFWSA-N 294.359 0.594 0 50 CCAA C[C@H](O)C[C@H]1CCCCCN1CCS(=O)(=O)N(C)C 311717239 TWRWLSSLVZSFME-QWHCGFSZSA-N 292.445 0.893 0 50 CCAA COC[C@H]1CN(c2ccc(C(=O)OC)cn2)CCO1 408517061 AJWWGDJZGGPMBZ-LLVKDONJSA-N 266.297 0.720 0 50 CCAA NC[C@@H]1CCN(Cc2nc(C(F)(F)F)no2)C1 534648618 JIKGLVFYEFBOSZ-LURJTMIESA-N 250.224 0.869 0 50 CCAA CC1(C(=O)O)CN(S(=O)(=O)c2ccc(C#N)s2)C1 399468928 LTXAYRMZSDVVSX-UHFFFAOYSA-N 286.334 0.715 0 50 CCAA CSCCN1CCN(S(=O)(=O)N2CCCC2)CC1 824901274 KCWPQMKZNKMOPZ-UHFFFAOYSA-N 293.458 0.308 0 50 CCAA Cc1cc(=O)c(-c2ccnc(N3CCOCC3)n2)c(O)o1 2084292184 NSXJNEOQYDXMRJ-UHFFFAOYSA-N 289.291 0.947 0 50 CCAA Cc1c[nH]c2ncc(C(=O)N(C)CCS(N)(=O)=O)cc12 2325841356 QJWIJSLKIARUBX-UHFFFAOYSA-N 296.352 0.232 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)Cc2ccccc2)CC1 115697 DQLUZVDSTWHLBP-UHFFFAOYSA-N 282.365 0.333 0 50 CCAA O=C(O)CC[C@@H](NC(=O)c1ccccc1)C(=O)O 1746655 LPJXPACOXRZCCP-SECBINFHSA-N 251.238 0.734 0 50 CCAA in-vitro CCOC(=O)CSCC[C@@H]1N[C@H](C(=O)O)CS1 1846344 IKOCLISPVJZJEA-JGVFFNPUSA-N 279.383 0.789 0 50 CCAA in-man CN(C)c1ccc(NC(=O)C(=O)NCCCO)cc1 2299314 CCEDWRRCEBXNCV-UHFFFAOYSA-N 265.313 0.190 0 50 CCAA C[C@H]1C(=O)N(C2CC2)Cc2nnc(CN3CCOCC3)n21 2356168057 NPGASNYTBVAUFQ-JTQLQIEISA-N 291.355 0.176 0 50 CCAA COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(C)=O 4760511 WKNVDEGIFRNBFS-LBPRGKRZSA-N 278.308 0.023 0 50 CCAA O=C(O)c1ccc(-c2noc(CNCCCO)n2)cc1 67649969 WEKVLTJHJKANDP-UHFFFAOYSA-N 277.280 0.907 0 50 CCAA O=C(CCC(=O)NC1CCCC1)NCCN1CCOCC1 55071728 IMKHLOVOBLITOQ-UHFFFAOYSA-N 297.399 0.274 0 50 CCAA CC(C)N(C)S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 229357175 KDYDEFQTULQMAP-RYUDHWBXSA-N 275.418 0.788 0 50 CCAA COCCn1nnc2c1CCN(C[C@@H]1CCCOC1)C2 328769440 INANYMIHWBQMQD-LBPRGKRZSA-N 280.372 0.709 0 50 CCAA CCN1CCN(C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)CC1=O 333666720 XLQJZYWAVXOFHQ-JHJVBQTASA-N 295.383 0.818 0 50 CCAA COc1ccccc1CCC(=O)N[C@H](C)c1nc(=O)[nH][nH]1 215763899 MYCOBKMWGYXNFS-SECBINFHSA-N 290.323 0.917 0 50 CCAA O=C(Cn1cnnc1O)Nc1cccc2c1OCCC2 333340761 OVOUWKVFVCUOGI-UHFFFAOYSA-N 274.280 0.947 0 50 CCAA N[C@H]1CCCN(CC(=O)OCc2ccccc2)C1=O 34437251 LISRQAXMDVGWHT-LBPRGKRZSA-N 262.309 0.680 0 50 CCAA CCn1cc(CN2CCN(C)[C@H](CCO)C2)cn1 39393753 AIBSTRZVEYPNFS-CYBMUJFWSA-N 252.362 0.401 0 50 CCAA COC(=O)CCCN1CCN(C(=O)[C@@H]2CCCN2C)CC1 175010285 OORZHQCEPKXDLE-ZDUSSCGKSA-N 297.399 0.178 0 50 CCAA C[C@H]1Cc2cc(S(=O)(=O)NCC(=O)O)ccc2O1 261692635 NBMJQJPEGJMTKW-ZETCQYMHSA-N 271.294 0.373 0 50 CCAA O=C(CNC(=O)[C@H]1CCCN1)Nc1ccc2c[nH]nc2c1 261611100 CAWJEZSSGRZCDW-LLVKDONJSA-N 287.323 0.370 0 50 CCAA CC/C=C/CC(=O)N1CCC(NS(C)(=O)=O)CC1 71774448 DLSPJMCLVRCJRC-SNAWJCMRSA-N 274.386 0.883 0 50 CCAA Cc1cccn2cc(CN3CCOCS3(=O)=O)nc12 77320433 LLJCCIYTRLSJIT-UHFFFAOYSA-N 281.337 0.762 0 50 CCAA C[C@@H](OCC(F)(F)F)C(=O)N1CCOC[C@H]1C(=O)O 521362962 DOSOPLZALXWNJB-RQJHMYQMSA-N 285.218 0.266 0 50 CCAA COc1nnc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)s1 241776876 RTGPVCCSBUXWBW-SSDOTTSWSA-N 294.340 0.949 0 50 CCAA O[C@]1(CN2CCC(c3cc[nH]n3)CC2)CCCNC1 72478959 FOWQUYIVFDGPNG-CQSZACIVSA-N 264.373 0.704 0 50 CCAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(C(=O)c2cn[nH]c2C)C1 284490095 BQCMKFNVACWMLL-KOLCDFICSA-N 290.327 0.747 0 50 CCAA COC(=O)c1ccc(CS(=O)(=O)N(C)C)cc1 44849430 RYKJTMJJSDMNIU-UHFFFAOYSA-N 257.311 0.865 0 50 CCAA CN1CCC[C@@H]2CN(C(=O)Cc3cnnn3C)CC[C@@H]21 612518056 WQXRODUMFMIQEP-YPMHNXCESA-N 277.372 0.300 0 50 CCAA Cc1[nH]nc(C(=O)NC[C@@H]2COCCN(C)C2)c1Cl 426738999 GAJPTQJOAWHQLO-VIFPVBQESA-N 286.763 0.680 0 50 CCAA O=C(Cn1nccc1[C@@H]1CCCNC1)N1CCSCC1 426596496 MXAONWSELXXELX-GFCCVEGCSA-N 294.424 0.926 0 50 CCAA CCc1nccn1CCC(=O)N[C@@H](CC)C(=O)O 426596452 HGGVTOGPCGIRFE-VIFPVBQESA-N 253.302 0.815 0 50 CCAA CC(C)n1ccc(C(=O)NC[C@H]2COCCN(C)C2)n1 426502822 BSGAPCCELCAEFS-GFCCVEGCSA-N 280.372 0.772 0 50 CCAA CSCCCN1C[C@H](C2CC2)[C@@H](NC(=O)CO)C1 91416480 MWXJKLOKAHPDHG-NEPJUHHUSA-N 272.414 0.558 0 50 CCAA CNC(=O)c1nc(CN(C)[C@@H](C)c2ccncn2)no1 244873577 WSICJNHNHACXPU-QMMMGPOBSA-N 276.300 0.412 0 50 CCAA Cn1ncnc1CCNC(=O)[C@H]1CC[C@@H](O)CC1 252513848 AEHSYLRCIPPJCQ-AOOOYVTPSA-N 252.318 0.025 0 50 CCAA C[C@H](CCC(=O)NCCN1CCNCC1)N1CCCC1 534587299 MSCZPISHRUNWTN-CQSZACIVSA-N 282.432 0.272 0 50 CCAA O=C(CCn1cncn1)NCC[C@H]1CCCOC1 534632211 VHOMCILCYGOZQG-LLVKDONJSA-N 252.318 0.601 0 50 CCAA CSCC(=O)NCc1ccc(C(=O)N(C)C)o1 299792266 FXQIFMHNZIGBLW-UHFFFAOYSA-N 256.327 0.961 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(=O)cc(C)o1 299756634 GIOWBCSQTAXKDS-JSGCOSHPSA-N 294.351 0.786 0 50 CCAA Cn1cnc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c1 299798548 RBRFHKYHFBLTMJ-UHFFFAOYSA-N 276.340 0.551 0 50 CCAA O=C(NCC1CCN(Cc2ncc[nH]2)CC1)[C@H]1CCOC1 827778523 FMEONKAPBCCFKB-ZDUSSCGKSA-N 292.383 0.774 0 50 CCAA O=C(NCc1noc(-c2cccs2)n1)[C@H]1C[C@@H](O)CN1 670437471 IOGHQDXTDGFKSP-HTQZYQBOSA-N 294.336 0.137 0 50 CCAA COC(=O)N[C@H](C)C(=O)N1CCN(CCSC)CC1 670451135 ZWSCKKVYWNHVRE-SNVBAGLBSA-N 289.401 0.238 0 50 CCAA CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CC(O)C1 268403565 GPKKITJTPPRBBC-LLVKDONJSA-N 282.365 0.706 0 50 CCAA CC(C)N1CCC(C(=O)N2CCC[C@](O)(CO)CC2)CC1 952872585 RQHQSOZAYGUZKU-MRXNPFEDSA-N 298.427 0.843 0 50 CCAA Cc1cc(N2CCN([C@@]3(C(=O)O)CCOC3)CC2)ccn1 886095298 RBWDMACITDDTQM-HNNXBMFYSA-N 291.351 0.756 0 50 CCAA CCOCCN[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 1775958997 XZOHDPQWFAYQQZ-OCCSQVGLSA-N 263.341 0.980 0 50 CCAA O=C(N[C@H](Cc1ccccc1O)C(=O)O)[C@H]1CCOC1 1775991897 OCOWAYFLDVTCNX-WDEREUQCSA-N 279.292 0.541 0 50 CCAA CCCc1n[nH]cc1C(=O)N[C@H]1CCN(C(C)=O)C[C@@H]1O 991587941 WPSLTEQAGMXAIJ-STQMWFEESA-N 294.355 0.074 0 50 CCAA CC(C)(NC(=O)Cc1ncc[nH]1)[C@H](O)C(F)(F)F 1353776885 FVZHEILGIIZDNQ-QMMMGPOBSA-N 265.235 0.770 0 50 CCAA N[C@H]1CCN(c2ncccc2C(=O)N2CCCC2)C[C@@H]1O 1565530090 DQMGXXCTQXTFSV-STQMWFEESA-N 290.367 0.216 0 50 CCAA C[C@H]1CO[C@@H](CO)CN1C(=O)Cc1cnn2c1CCCC2 631877317 BSWSTVCLDRWXQH-WCQYABFASA-N 293.367 0.370 0 50 CCAA COc1ccccc1OCCN1CCOCS1(=O)=O 91574844 LMSWAQDYMUCLMW-UHFFFAOYSA-N 287.337 0.694 0 50 CCAA CC(C)(CC(=O)N[C@@H]1CNC(=O)C1)C(F)(F)F 408333399 DMOPHHJQHRXMQD-LURJTMIESA-N 252.236 0.970 0 50 CCAA CO[C@H]1CN(S(=O)(=O)CCN2CCCC2)CC[C@@H]1C 170619200 LUDVPGKCSVBMFU-STQMWFEESA-N 290.429 0.769 0 50 CCAA CC(C)CN(CC(N)=O)C(=O)[C@H]1CCCO[C@H]1C 188068315 LBQQMYHWSLJAET-QWRGUYRKSA-N 256.346 0.771 0 50 CCAA CC(C)N(C(=O)CN1CCC[C@H](NCCO)C1)C(C)C 708535995 VDRGFFKMIDWTSM-AWEZNQCLSA-N 285.432 0.678 0 50 CCAA CC[C@H]1NC(=O)N(C[C@@H](O)COCC(C)C)C1=O 584908427 CEUNZLHKKXJUGN-NXEZZACHSA-N 258.318 0.350 0 50 CCAA CN(CC(C)(C)CN)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 564721780 IRFSXBVLMVHHAH-QWHCGFSZSA-N 294.399 0.941 0 50 CCAA COc1cc(NCc2ccc(S(N)(=O)=O)cc2)ncn1 65385893 TZNVTIWSOIMDOS-UHFFFAOYSA-N 294.336 0.745 0 50 CCAA COCC(COC)NC(=O)N1CC[C@@H](C)[C@H](C(=O)O)C1 573680481 ATLITJWBVHYUKN-MWLCHTKSSA-N 288.344 0.400 0 50 CCAA Cc1n[nH]cc1CN(C)c1nccc(N2CC[C@H](O)C2)n1 1506431477 LSQYZWUEPHNPAM-LBPRGKRZSA-N 288.355 0.716 0 50 CCAA COC(=O)[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C 2555006 ZAYAFKXUQMTLPL-SSDOTTSWSA-N 261.274 0.918 0 50 CCAA in-vitro CCCN(C(=O)c1ccnn1C)[C@H]1CCS(=O)(=O)C1 330475979 UJVQZDLHSKTMFM-JTQLQIEISA-N 285.369 0.459 0 50 CCAA C=CC(=O)N(C)CC(=O)N(C)C[C@]1(C)CCCO1 1875380301 LFCVYEROLSDAIP-ZDUSSCGKSA-N 254.330 0.658 0 50 CCAA CCCN1CCC(N2CCN(CCOCCO)CC2)CC1 19635804 VDERUXDBCRPZMC-UHFFFAOYSA-N 299.459 0.487 0 50 CCAA O=C(CCCc1cn[nH]c1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857715546 WUFTXHMWYYQYGH-HZSPNIEDSA-N 293.367 0.731 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)CCn2cnnc2)C[C@@H]1O 1857718253 QLNTYYAHDINTES-GXTWGEPZSA-N 296.371 0.040 0 50 CCAA O=C(N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1cc[nH]c1 1857737077 WAARDJNTLZKHJZ-MELADBBJSA-N 275.352 0.996 0 50 CCAA CN1C(=O)[C@H]2COC[C@@H]1CN(CCn1cc(Cl)cn1)C2 1875249392 PIFVEACRGGGQPU-PWSUYJOCSA-N 298.774 0.326 0 50 CCAA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1nnnn1C 408044164 MKYMPOJQXFIZCV-QJPTWQEYSA-N 281.360 0.226 0 50 CCAA C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)O 237645145 VDJLMOVXEOAEND-SNVBAGLBSA-N 290.319 0.945 0 50 CCAA CO[C@H]1C[C@@H](CO)N(c2ccnc3c2cnn3C)C1 343315310 BYYAAXSLAMZDHA-UWVGGRQHSA-N 262.313 0.554 0 50 CCAA CN(C)C/C=C/C(=O)NCc1cccc(OCC(N)=O)c1 266334421 KYBAUZIBHXCREZ-QPJJXVBHSA-N 291.351 0.285 0 50 CCAA CN1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCc2c(O)cccc21 900699516 LWXRCHAGEWPLFY-AKWBHNSASA-N 290.363 0.951 0 50 CCAA FCCn1cc(Cn2nnc(-c3ccncn3)n2)cn1 901570482 MHPIYFQEWGITAB-UHFFFAOYSA-N 274.263 0.344 0 50 CCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)NC(C)C 6697781 WZMNRAHWZRHTDY-UHFFFAOYSA-N 256.327 0.781 0 50 CCAA CC1CCN(C(=O)[C@]23CNC[C@H]2CCOC3)CC1 911946994 HPWWOZDJZNYYDI-OCCSQVGLSA-N 252.358 0.871 0 50 CCAA C[C@@]1(O)CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 231321652 CMUCATSTSGRTGU-CYBMUJFWSA-N 299.348 0.603 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cccn2cnnc12 244872751 WDTLDSRWNFEZHD-GHMZBOCLSA-N 276.296 0.263 0 50 CCAA CCc1nnc(CN2CCN(c3cccnn3)CC2)o1 170649683 KGAQEKQOIZMWRE-UHFFFAOYSA-N 274.328 0.744 0 50 CCAA COCC[C@@]1(C(=O)N2CCOC(C)(C)C2)CCNC1 372120728 FJTXZVPXQRSTIL-AWEZNQCLSA-N 270.373 0.640 0 50 CCAA O=C(O)CN(C(=O)[C@@H]1CCn2ncnc2C1)C1CCCC1 2325784729 GEDBQRZCMQRIJB-SNVBAGLBSA-N 292.339 0.696 0 50 CCAA COC1(C(F)(F)F)CN(C(=O)NCCn2cccn2)C1 893017765 GWOVNAMUMZBKEB-UHFFFAOYSA-N 292.261 0.856 0 50 CCAA CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O 3929509 NENPYTRHICXVCS-YNEHKIRRSA-N 284.356 0.807 0 50 CCAA in-vivo Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 4811135 LXVPHYZCDSNFIB-UHFFFAOYSA-N 282.321 0.916 0 50 CCAA NC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1 6678596 RPDPYBFIMRWGBQ-UHFFFAOYSA-N 260.340 0.632 0 50 CCAA CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)COC)CC1 8477163 CZBNEZUYWRXVQZ-JTQLQIEISA-N 292.401 0.199 0 50 CCAA CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10371554 NIBKUJSUPOBUGC-SNVBAGLBSA-N 291.417 0.420 0 50 CCAA CC[C@@]1(C)NC(=O)N(CCCNC(=O)NC2CC2)C1=O 112429840 FFLNFJRTYYKOLE-CYBMUJFWSA-N 282.344 0.559 0 50 CCAA C[C@H](C(=O)N1CCC[C@H]1[C@H]1CCCN1C)n1cncn1 248115594 IOACFDHGGRTJQV-UPJWGTAASA-N 277.372 0.924 0 50 CCAA O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCCO 67446891 SIWDZUZESULCAT-INIZCTEOSA-N 292.379 0.165 0 50 CCAA O=C(NCC1(C(=O)O)CCOCC1)C1CC=CC1 138135179 TVFVHMNSVCRPJR-UHFFFAOYSA-N 253.298 0.950 0 50 CCAA C[C@@H](C1CC1)N(C[C@@H](O)CN1CCOCC1)C1CC1 229430351 WEOWVDHYEFNROC-WFASDCNBSA-N 268.401 0.942 0 50 CCAA Cn1cc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cn1 215122 NVKJMMZZYDHHBL-MNOVXSKESA-N 263.297 0.703 0 50 CCAA O=c1c2cccc(F)c2ncn1C[C@H]1CNCCO1 32553371 FPFQCHLBJUIPGC-SECBINFHSA-N 263.272 0.524 0 50 CCAA CC[C@@H](O)CC(=O)N1CCNC(=O)[C@@H]1CC(C)C 331334566 PUVJLBCVTMRESL-MNOVXSKESA-N 256.346 0.521 0 50 CCAA CCn1c(C)cc(C)c(C(=O)N[C@H](C)C(N)=O)c1=O 216001377 AJNRETGTWUDIST-SECBINFHSA-N 265.313 0.089 0 50 CCAA Cn1[nH]cnc1=NS(=O)(=O)c1ccc2c(c1)CCCO2 329103275 BZRMJQCFJRCSGD-UHFFFAOYSA-N 294.336 0.363 0 50 CCAA CO[C@H]1CCCN(c2nc(N)c3cnn(C)c3n2)CC1 365538328 YACJOJVQHZUEEM-VIFPVBQESA-N 276.344 0.951 0 50 CCAA N[C@H]1CCCCC[C@@H]1NCCCN1CCNCC1 331922921 CIFZCXJXFLZFKQ-KBPBESRZSA-N 254.422 0.531 0 50 CCAA Cn1ncc2c(N[C@@H]3CCC(=O)N[C@H]3C3CC3)ncnc21 370268009 UZVOKONYQRPYTJ-PWSUYJOCSA-N 286.339 0.832 0 50 CCAA O[C@]1(CNCc2cnn(Cc3ccccc3)c2)CCNC1 77376592 SUBWHNWCHPBURO-MRXNPFEDSA-N 286.379 0.745 0 50 CCAA COc1ncc(CN2CCN3CCOC[C@H]3C2)c(C)n1 375614496 RJODOCXBFPGHRT-CYBMUJFWSA-N 278.356 0.310 0 50 CCAA CN(CCNS(C)(=O)=O)[C@H]1Cc2ccccc2[C@H]1O 239352103 ABBHSUDUOVVLNB-QWHCGFSZSA-N 284.381 0.126 0 50 CCAA CCN1CCO[C@H](C(=O)Nc2cccc3c2CNCC3)C1 375957074 GZFBBWRTEJLNEU-HNNXBMFYSA-N 289.379 0.992 0 50 CCAA O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)[C@H]1CCCCS1(=O)=O 333397766 FCYUVVMTFPLFLN-LMLFDSFASA-N 257.355 0.868 0 50 CCAA O=C1NC[C@@H](COc2ccc3c(c2)CCNC3=O)O1 496072296 YOGLUEWBHDHFML-JTQLQIEISA-N 262.265 0.460 0 50 CCAA CC(C)Cc1cc(C(=O)NC[C@]2(O)CCNC2)on1 72174301 AEFCTRFTEKUWGE-ZDUSSCGKSA-N 267.329 0.327 0 50 CCAA NCC1(C(=O)N2CCC[C@@H](CC(N)=O)C2)CCCC1 238000915 JGYIUBAOTPXBAO-NSHDSACASA-N 267.373 0.620 0 50 CCAA C[C@H]1CCCN1C(=O)C(=O)N1CCC([C@H]2CCCN2)CC1 335067765 MMZFUQVFVBPLFA-GXTWGEPZSA-N 293.411 0.988 0 50 CCAA CCC[C@H](CC(=O)O)NC(=O)c1cnc[nH]c1=O 219726579 GSYMNDNPYAQTCW-SSDOTTSWSA-N 253.258 0.143 0 50 CCAA O=C(N[C@@H]1COCC[C@@H]1OCCO)c1cc(C2CC2)n[nH]1 219296059 MXZWUSJFRXOVRC-OLZOCXBDSA-N 295.339 0.183 0 50 CCAA CCn1ccnc(N(C)C[C@@H]2C[C@H](OC)CN2C)c1=O 284497994 IAKWEZGWJYBNGE-RYUDHWBXSA-N 280.372 0.419 0 50 CCAA Cc1nccn1CCCNC(=O)[C@H](C)CN1CCOCC1 223068999 KOOGLOZNHYRPIR-CYBMUJFWSA-N 294.399 0.666 0 50 CCAA COc1ncc(C(=O)NCc2cnn3cccnc23)cn1 426668422 QSMQLSWZDXPDFW-UHFFFAOYSA-N 284.279 0.458 0 50 CCAA COCc1noc(CCNC(=O)[C@H]2CCC[C@H](O)C2)n1 222783900 YGQJCQNVLYGYDJ-UWVGGRQHSA-N 283.328 0.426 0 50 CCAA C[C@H](O)c1ccc(CNC(=O)[C@H]2CNCCO2)cc1 178433990 VNVYLHCRFQJLMH-GXFFZTMASA-N 264.325 0.345 0 50 CCAA O=C(NC[C@@H]1CCCCO1)c1cnc2ccccn2c1=O 140423865 FKGALBVSJOXRST-NSHDSACASA-N 287.319 0.993 0 50 CCAA CC(C)C(=O)N1CCC[C@@H](c2nccn2CC(N)=O)C1 95499850 GUGWOLOLFXHCEY-LLVKDONJSA-N 278.356 0.730 0 50 CCAA CN(Cc1nncn1C)S(=O)(=O)N1CCCCCC1 331490891 MYVZGTVHFLBFQU-UHFFFAOYSA-N 287.389 0.368 0 50 CCAA COC[C@@H](c1ccnn1C)n1cc(-c2nccn2C)nn1 91593117 OVCXAHAYNJAHNA-LBPRGKRZSA-N 287.327 0.648 0 50 CCAA Cc1ccc(CNC(=O)[C@H]2CCC(=O)NC(=O)N2)o1 97772779 NMDPQWZGPNIFFO-SECBINFHSA-N 265.269 0.192 0 50 CCAA CS(=O)(=O)Cc1cn(O)c2ccccc2[n+]1=O 526055746 LKTIKARIYWZHNE-UHFFFAOYSA-N 255.275 0.338 0 50 CCAA CCOC(=O)[C@H]1CC[C@H](Nc2ccc(C(N)=O)nn2)C1 253429973 WQOAVMNGJRSGRB-IUCAKERBSA-N 278.312 0.719 0 50 CCAA CC(C)[C@H](NC(=O)c1cnc(N)s1)c1ncnn1C 534581063 GMZYZOLVVBWBDH-QMMMGPOBSA-N 280.357 0.981 0 50 CCAA Cc1[nH]nc(CCC(=O)NCCn2cncn2)c1C 534577646 JEBZHZSCBDFNIY-UHFFFAOYSA-N 262.317 0.367 0 50 CCAA CCn1ccc(C(=O)NCCc2nncn2CCOC)n1 299783261 ZNQIQUADUKGJGM-UHFFFAOYSA-N 292.343 0.113 0 50 CCAA CCN(CC(=O)NCc1ccccc1C)[C@H]1COC[C@@H]1O 299772928 BCYKWSIWPMRIQB-GJZGRUSLSA-N 292.379 0.693 0 50 CCAA CCCC[C@@H](N)C(=O)NCc1cnc(O)nc1O 299768225 IWAHDDPMNPIKNA-MRVPVSSYSA-N 254.290 0.022 0 50 CCAA Cc1nccc(N2CCN(Cc3nc[nH]n3)CC2)n1 651456107 KPBSWTAGKISHEP-UHFFFAOYSA-N 259.317 0.225 0 50 CCAA C[C@H](CNS(=O)(=O)C1CC1)NCCC1(O)CCCC1 821344955 TXEMDJDJTQVJKO-LLVKDONJSA-N 290.429 0.742 0 50 CCAA Cn1ncnc1CCNS(=O)(=O)CC1CCCC1 825662567 NRQZFSSTUJSMLV-UHFFFAOYSA-N 272.374 0.467 0 50 CCAA c1ccc(-n2[nH]nnc2=N[C@@H]2CCc3c[nH]nc3C2)cc1 829070286 CCTBSTOUEBAOGG-LLVKDONJSA-N 281.323 0.777 0 50 CCAA Cc1nn[nH]c1C(=O)N1C[C@H]2CCC[C@@H](C1)N(C)C2 584889301 HHFUGBIMLVGJBN-QWRGUYRKSA-N 263.345 0.669 0 50 CCAA CS(=O)(=O)Nc1ccc([C@@H]2NCCC[C@H]2N)cc1 757209136 FYRAFTAWQKHEOS-NEPJUHHUSA-N 269.370 0.810 0 50 CCAA Cn1ncnc1CNC(=O)c1cn(-c2ccccc2)nn1 1875255453 VGIBELZBDAIERE-UHFFFAOYSA-N 283.295 0.326 0 50 CCAA O=C(CCN1CCCC1=O)N=c1nc(C2CC2)[nH]s1 1875268273 AYCQYPMCZDHHJU-UHFFFAOYSA-N 280.353 0.788 0 50 CCAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@H]1CCc2n[nH]cc2C1 1875311117 NOUXYMDZKUHUGY-SRRWWMFLSA-N 289.335 0.740 0 50 CCAA O=C(CN1CCS[C@@H]2CCCC[C@H]21)NCc1nn[nH]n1 1875331080 NYZBZUOFYJPWLJ-NXEZZACHSA-N 296.400 0.176 0 50 CCAA NCCn1cc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)nn1 71416129 JFMIIYYZNRBMLR-BKUVIOGVSA-N 275.356 0.355 0 50 CCAA Cn1ccnc(N2CCC[C@H](N[C@H]3CCOC3)C2)c1=O 275486424 ISCSAHZJBBJRON-RYUDHWBXSA-N 278.356 0.128 0 50 CCAA COC(=O)c1ccc(OC[C@H](O)CN2CC(C)(O)C2)cc1 585138131 QEVSAMFSMDFHAZ-GFCCVEGCSA-N 295.335 0.280 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2cc[nH]c(=N)c2)C1 643812410 MWPJESXYJZVSGY-OAHLLOKOSA-N 292.383 0.299 0 50 CCAA O[C@H]1CCN([C@H]2CCC[C@H]2NCc2ccon2)C1 643960410 VMEFFBKQKMUJQW-XQQFMLRXSA-N 251.330 0.752 0 50 CCAA CCN1CN(C(=O)NC[C@@H]2CCCN2CC(C)C)CC1=O 195580088 HXDFTIPMDXCTSA-ZDUSSCGKSA-N 296.415 0.938 0 50 CCAA CN1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 659832157 NVFINRIEUVMKLT-FRRDWIJNSA-N 251.374 0.681 0 50 CCAA Cn1nccc1CN(CCO)Cc1nccs1 1506401361 IYIUPTWSWCNHPW-UHFFFAOYSA-N 252.343 0.871 0 50 CCAA Cc1ccn2c(NC(=O)c3ccc(C)n(C)c3=O)nnc2n1 1529113413 YMIFWUIUULXSHI-UHFFFAOYSA-N 298.306 0.692 0 50 CCAA CC(=O)Nc1nonc1NC(=O)[C@]1(C)CC(C)=NO1 1529158545 FBJYYPNNIWHQNE-JTQLQIEISA-N 267.245 0.521 0 50 CCAA CCCN1C(=O)N[C@@H](CC(=O)N2CC=CC2)C1=O 1857705232 YVHULFYWWOIVIB-VIFPVBQESA-N 251.286 0.105 0 50 CCAA O=C(O)CN1C[C@H]2CN(C3CCCC3)C[C@@]2(C(=O)O)C1 210257369 UAZBQTCMJNZOJP-HZMBPMFUSA-N 282.340 0.332 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N2CC[C@@H](N)C[C@H]2C)c1 408519110 NEDPZBDSCWGHKY-GHMZBOCLSA-N 286.401 0.964 0 50 CCAA C[C@H]1OCCN(Cc2ccncc2Cl)[C@@H]1C(N)=O 346478047 DJEVRMMNGDFWFC-KCJUWKMLSA-N 269.732 0.810 0 50 CCAA C[C@@H](C(=O)N[C@H]1CC(=O)N(c2cnn(C)c2)C1)C1CC1 1615585724 CFHVAHXGLVBIIR-KOLCDFICSA-N 276.340 0.688 0 50 CCAA C[C@@H]1CN(c2ccnc(S(N)(=O)=O)c2)CCC1=O 1615613106 FKBGZUROXXIYSX-MRVPVSSYSA-N 269.326 0.144 0 50 CCAA CCc1cnc(C)nc1NC[C@]1(O)CCCNC1 1772707733 XXDVFUMATJZTOD-ZDUSSCGKSA-N 250.346 0.874 0 50 CCAA O=C(NCc1nc(=O)o[nH]1)c1ccc(-c2cn[nH]c2)cn1 1636996761 HZMHMVAOTAKHEQ-UHFFFAOYSA-N 286.251 0.078 0 50 CCAA c1nc(N2CCN(c3nc[nH]n3)CC2)c2[nH]ccc2n1 1772812618 MJKRVBFVTKEJCX-UHFFFAOYSA-N 270.300 0.403 0 50 CCAA COC(=O)C1=C(C(=O)OC)O[C@@](C)(OC)[C@@](C)(OC)O1 18146061 SQVZHDVADPLUHY-TXEJJXNPSA-N 290.268 0.316 0 50 CCAA CC(=O)c1ccc(C(=O)N[C@H]2CCO[C@H](CO)[C@H]2O)s1 1857697808 NDXNCYUYJOXEJP-SBMIAAHKSA-N 299.348 0.191 0 50 CCAA O=C(c1ccc(O)cc1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857718069 MJEPSBJOTOBAFC-DOMZBBRYSA-N 288.303 0.566 0 50 CCAA Cc1nc([C@H]2C[C@@H](N)[C@H](O)C2)n(CCc2cnc[nH]2)n1 1857736596 NUFMLUDFIZVUMS-MVWJERBFSA-N 276.344 0.118 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)CCO1 111185493 MYMQWXWHMNPNKO-AAEUAGOBSA-N 291.303 0.865 0 50 CCAA C[C@@H]1CN(Cc2nc(O)n[nH]2)CCN(C2CCC2)C1 575603106 UUTUTEYZJXUMCX-SNVBAGLBSA-N 265.361 0.817 0 50 CCAA O=C(CN1CCC[C@@H](F)C1)NCC(=O)N1CCCC1 903002264 ZLDLNHRDUNJTCG-LLVKDONJSA-N 271.336 0.159 0 50 CCAA Cc1nn(CC2OCCO2)c(C)c1[C@H]1COCCN1C 852963075 ORIAWXWYDNSOLC-GFCCVEGCSA-N 281.356 0.876 0 50 CCAA COC[C@@H]1CN(C(=O)C2(C)COC2)C[C@H]1c1cnn(C)c1 855076033 AITXAAJRBGQDJB-STQMWFEESA-N 293.367 0.645 0 50 CCAA Cn1cc(C(=O)NC2(C(=O)O)CCC2)ccc1=O 237756859 DBVPVZGXJAMNBQ-UHFFFAOYSA-N 250.254 0.122 0 50 CCAA CCC[C@H]1CN(C(=O)CSCC(=O)O)CCO1 263555310 YNJGIUMNVFTNBW-VIFPVBQESA-N 261.343 0.832 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)s1 625597735 OIZWTDLCVGNNAU-IUCAKERBSA-N 277.367 0.485 0 50 CCAA O=C(NC[C@@H]1CCCC[C@H]1O)[C@H]1CCc2nn[nH]c2C1 332745095 BTFCXWPKWZKHEK-OUJBWJOFSA-N 278.356 0.577 0 50 CCAA COCCn1ccnc1CN1CC[C@H]2CNC[C@H]21 426589991 OSEJHTRAPDNVEJ-NWDGAFQWSA-N 250.346 0.323 0 50 CCAA Cc1nc2c([nH]1)[C@@H](C(=O)N[C@]1(C(=O)O)CCOC1)CCC2 2325829911 WBXSECURSMDMBI-LKFCYVNXSA-N 293.323 0.498 0 50 CCAA CN1CCN(Cc2nc(N)nc(Nc3ccccc3)n2)CC1 22972105 SBBZYSNHRWBYLW-UHFFFAOYSA-N 299.382 0.945 0 50 CCAA CCn1cc(CCN2C(=O)[C@H]3CCCN3C2=O)cn1 329581362 LHBNYZZACJNOFH-LLVKDONJSA-N 262.313 0.872 0 50 CCAA CC[C@@H](O)[C@H](C)C(=O)N1CCC(c2nnc(O)o2)CC1 822566704 JYKQXCFHSNXASJ-WCBMZHEXSA-N 283.328 0.888 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(Cc2noc(C3CC3)n2)C1 367478174 ZJLFKQOMQSDWQO-VHSXEESVSA-N 253.302 0.529 0 50 CCAA C[C@]1(C(=O)O)CCN(C(=O)Cn2nnc3ccccc32)C1 237645326 FHOFPODYMBQIOS-AWEZNQCLSA-N 288.307 0.755 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCNC(=O)CC1 335788888 BFBBBNPZJKKFBV-MNOVXSKESA-N 254.330 0.540 0 50 CCAA CN(CCc1ccccn1)C(=O)CC[C@H]1NC(=O)NC1=O 42034168 RXWXNPGRCJKCIT-LLVKDONJSA-N 290.323 0.071 0 50 CCAA COC1CN(C(=O)c2cnn(-c3ccccn3)c2N)C1 340228292 AOYQDIVNUHEXOJ-UHFFFAOYSA-N 273.296 0.320 0 50 CCAA COc1ncc(C(=O)NC2(C(N)=O)CCCC2)cn1 426604497 MMQAFGIZZMFIOT-UHFFFAOYSA-N 264.285 0.013 0 50 CCAA N[C@@H]1CC[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)C1 237932897 CWFMOGFLJZHYAK-MCIONIFRSA-N 287.363 0.814 0 50 CCAA NC(=O)N1CCC[C@@H](C(=O)N2CC(c3cccnc3)C2)C1 92022786 QCLLKZAXAUIEHI-GFCCVEGCSA-N 288.351 0.798 0 50 CCAA O=C(NC1(c2ccccc2F)CC1)[C@@H]1CNCCO1 237809256 FVFMOISKXHFTQB-LBPRGKRZSA-N 264.300 0.919 0 50 CCAA COc1cc(OC)nc(N(C)CC2(CO)CCOCC2)n1 96153894 SEQBIQYPIUQKNF-UHFFFAOYSA-N 297.355 0.719 0 50 CCAA NS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)CC1 140206703 MWXHCFZJQGPYCZ-UHFFFAOYSA-N 297.380 0.332 0 50 CCAA Cc1nn(C)c2nc(NC[C@@H]3CN(C)CCN3C)sc12 96142143 ZQZVMPFTEBGNLU-SNVBAGLBSA-N 294.428 0.996 0 50 CCAA CNc1cc(C(=O)N2CCC[C@H](NC(C)=O)C2)ccn1 97759447 JEFRNTIVOQBARI-LBPRGKRZSA-N 276.340 0.864 0 50 CCAA COCCNC(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 244633086 FWHASSWEJGVSCO-YUSALJHKSA-N 282.344 0.178 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 299743661 OLASIMGHZMOBFD-LLVKDONJSA-N 291.303 0.933 0 50 CCAA COC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2)CCO1 299746979 BRGMZSWPVHEDNT-RFGFWPKPSA-N 282.384 0.781 0 50 CCAA N#Cc1cc(F)ccc1CN1CCC([C@H](O)C(N)=O)CC1 299752656 UWUZIGVVXDLDCT-AWEZNQCLSA-N 291.326 0.756 0 50 CCAA Cn1nc2c(cc1=O)CN(C(=O)c1ccco1)CC2 263619081 WUNCBCYEIQZJEZ-UHFFFAOYSA-N 259.265 0.572 0 50 CCAA CCO[C@@H](C)C(=O)NCCc1nc(C(=O)O)cs1 263050678 NVFXNNWOTVRHHW-ZETCQYMHSA-N 272.326 0.925 0 50 CCAA O=C(CNC(=O)c1ccnc2ccncc12)NCC1CC1 288561623 NAOMRGIUHOKYRR-UHFFFAOYSA-N 284.319 0.886 0 50 CCAA Cc1nnnn1CCC(=O)N=c1cc(-c2ccco2)[nH][nH]1 1940198212 VEFVRSXVCIXDNH-UHFFFAOYSA-N 287.283 0.415 0 50 CCAA c1nc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)no1 299770178 ZXZYOQDZUBFANS-UWVGGRQHSA-N 262.273 0.007 0 50 CCAA CCCn1cc(S(=O)(=O)N(C)Cc2ncon2)cn1 823033508 YAVWEJDEDBXBKJ-UHFFFAOYSA-N 285.329 0.497 0 50 CCAA CC(C)C(=O)NCC(=O)N(C)C[C@H]1CCN(C)C1(C)C 584896853 NEDQMHJBWZPNMO-GFCCVEGCSA-N 283.416 0.947 0 50 CCAA Cc1nc(CC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)n[nH]1 585134781 JVNMOZKHZLBTGB-AXFHLTTASA-N 292.339 0.900 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)c2cc(OC)ccn2)C1 584898408 BGXYPUQSPJMKOD-SNVBAGLBSA-N 277.324 0.688 0 50 CCAA O=C1CC[C@H](C(=O)NCC2CCN(CC3CCC3)CC2)N1 1001252747 BLHQCMYDYDXXDY-CQSZACIVSA-N 293.411 0.893 0 50 CCAA Cc1cc(C)c(C(=O)N2CCOC[C@H]2C(=O)O)o1 268993824 UNDMTSQMBFAWMZ-VIFPVBQESA-N 253.254 0.822 0 50 CCAA Cc1nc(C2CCN(C(=O)[C@H](C)n3cnnn3)CC2)n[nH]1 670440450 HSNBPUQEAIRAQL-QMMMGPOBSA-N 290.331 0.067 0 50 CCAA C=CC(=O)N1CCC(C(=O)N[C@@H](CO)C(C)C)CC1 1875369748 FKACQKSVKWGOMS-LBPRGKRZSA-N 268.357 0.544 0 50 CCAA COc1cccc(C)c1C(=O)NCCNS(C)(=O)=O 952975231 XABXTUNFGMXEND-UHFFFAOYSA-N 286.353 0.283 0 50 CCAA C[C@@H](C(N)=O)N1CCC(CNC(=O)c2ccco2)CC1 952978612 REEUXSJKRHSNMJ-JTQLQIEISA-N 279.340 0.595 0 50 CCAA C1C[C@@H](N2CC(OCc3nc(C4CC4)no3)C2)CO1 888078297 HDHLKLFWNMXSSF-SNVBAGLBSA-N 265.313 0.937 0 50 CCAA CCOC(=O)c1cn(C)nc1NC(=O)[C@H]1C[C@@H](C)CO1 889848780 WEARZHMYIZCFRF-PSASIEDQSA-N 281.312 0.960 0 50 CCAA C[C@@H](Cn1cccn1)NC(=O)C1(C)CCNCC1 19143569 CIGUMZVOUQTDFG-NSHDSACASA-N 250.346 0.778 0 50 CCAA Cn1cnc([C@@H]2CN(S(=O)(=O)C3(C)CC3)C[C@H]2N)c1 1775962400 JHZWDRFYNDMSPZ-NXEZZACHSA-N 284.385 0.029 0 50 CCAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1Cc1ccon1 1775957387 ROUCOSMYFXWDDT-QWRGUYRKSA-N 293.327 0.954 0 50 CCAA Nc1cccc(-c2noc(CN3CCC(=O)NC3=O)n2)c1 1349297246 SQZYSVJEOKEVRP-UHFFFAOYSA-N 287.279 0.761 0 50 CCAA O=C(N[C@H]1CNC[C@@H]1O)C1CCN(C2CCCC2)CC1 1565528030 AFTYINCWVKKVBL-KBPBESRZSA-N 281.400 0.090 0 50 CCAA COc1cccc([C@H](C(=O)O)N2CCNCC2)c1 37963508 QCWJCNJQHRBLNG-GFCCVEGCSA-N 250.298 0.726 0 50 CCAA in-vitro CNC(=O)NCc1cn(Cc2cccc(OC)c2)nn1 899706238 NYLCNPLDQOFTRP-UHFFFAOYSA-N 275.312 0.764 0 50 CCAA CC(C)[C@H](CO)ONC(=O)[C@@H]1CCCn2ncnc21 1468342960 HIYOMZFIGQTUEZ-ZJUUUORDSA-N 268.317 0.220 0 50 CCAA COC[C@H](C)S(=O)(=O)NC[C@H]1CCc2nccn2C1 275373903 XUGHVEXKTQUMNE-WDEREUQCSA-N 287.385 0.400 0 50 CCAA Cc1nc(=NC(=O)[C@@H]2CCc3cnn(C)c3C2)s[nH]1 407960652 WTJMNGFRPPPQGJ-MRVPVSSYSA-N 277.353 0.746 0 50 CCAA O=C(N1CCCC1)[C@]1(O)CCCN(c2ncc(F)cn2)C1 408034871 HLLQQVSMHPJMPS-AWEZNQCLSA-N 294.330 0.569 0 50 CCAA CC1(C(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)COC1 408474008 YIBYQPXJTAXRGR-NWDGAFQWSA-N 296.367 0.152 0 50 CCAA CS(=O)(=O)C1(CNC(=O)c2cncc(F)c2)CCC1 280335892 BMHOCNVOZMLSME-UHFFFAOYSA-N 286.328 0.918 0 50 CCAA CC[C@@H]1C(=O)NCCN1CC(C)(C)N1CCOCC1 585117466 FGBHJDNQWRTKPM-GFCCVEGCSA-N 269.389 0.308 0 50 CCAA C[C@H]1[C@@H](C)N(C(=O)c2cc(O)n(C)n2)CC[S@@]1=O 597277410 ZSHPTHBWBYHUHL-MPSDLYAZSA-N 271.342 0.107 0 50 CCAA C[C@H]1CN(C(=O)N2C[C@H]3C[C@@H]3C2)CCS1(=O)=O 1875272597 QBZOFNBUODBOAN-IVZWLZJFSA-N 258.343 0.177 0 50 CCAA O=C(N[C@@H]1COC2(CCNCC2)C1)c1cnccn1 215116526 RMAKCHURQRFJKR-JTQLQIEISA-N 262.313 0.118 0 50 CCAA O=C(COC[C@H]1CCCO1)NCc1[nH]nc2ncccc12 1772816098 HUTLWKMTRIVHHU-SNVBAGLBSA-N 290.323 0.770 0 50 CCAA Cc1nc(O)c2c(n1)CN(C[C@@H]1CCC(=O)N(C)C1)CC2 1775980823 BWOKMGYFOUMDNJ-LLVKDONJSA-N 290.367 0.717 0 50 CCAA Cn1nncc1CNC(=O)C[C@H]1C[C@H]2COC[C@H]21 1857527721 MDIQZZKCZMZXJF-YWVKMMECSA-N 250.302 0.104 0 50 CCAA CC(=O)c1ccccc1OC[C@H](O)CN1CCN(C)CC1 19368405 JOKCWTAONQDAME-CQSZACIVSA-N 292.379 0.876 0 50 CCAA COC(=O)[C@]12CNC[C@H]1CCN2C(=O)OC(C)(C)C 205362099 JLWQTCIZMBJTKI-RNCFNFMXSA-N 270.329 0.758 0 50 CCAA CN1C(=O)NCC12CN(C[C@H]1COc3ccccc3C1)C2 1857684765 CIVBHQZMWQDZOJ-LBPRGKRZSA-N 287.363 0.947 0 50 CCAA CC(C)[C@@]1(O)CN(CC(=O)N2CCOCC2)C[C@@H]1C 248161002 GZOJFKVPKARXPC-JSGCOSHPSA-N 270.373 0.184 0 50 CCAA O=C(NCC1(C(=O)O)CCOCC1)[C@@H]1CCCCO1 138138650 YFTSDAIUWBSFEV-JTQLQIEISA-N 271.313 0.553 0 50 CCAA COCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1nccn1C 395479810 WUQDEVNSHXBXDF-WPRPVWTQSA-N 267.285 0.041 0 50 CCAA c1nnnn1CCN1CC[C@@H](n2cc(C3CC3)nn2)C1 931124648 AOLXSTZDNCSMMN-LLVKDONJSA-N 274.332 0.089 0 50 CCAA Cc1ccc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)cn1 932830904 GBUZUFLQXFFTJQ-CQSZACIVSA-N 289.379 0.853 0 50 CCAA COC[C@@](C)(CCO)NC(=O)c1n[nH]c(C)c1C 330757063 ZKXBMWABOXWYOE-GFCCVEGCSA-N 255.318 0.544 0 50 CCAA NC(=O)C1(O)CCN(c2ccc(C(F)(F)F)nc2)CC1 893703392 OCMCYRZDHCMHRR-UHFFFAOYSA-N 289.257 0.917 0 50 CCAA CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@@H](C)C(=O)O 1581873 REDPLVIOXBHSRP-RILYUOAZSA-N 276.292 0.753 0 50 CCAA CNc1ncnc2c1cnn2C[C@H](O)C[C@@H]1CCCO1 2325777307 UNECYINUCLDQJV-ZJUUUORDSA-N 277.328 0.798 0 50 CCAA CC(C)COC(=O)[C@@H](O)[C@H](O)C(=O)OCC(C)C 1682733 ONZOGXRINCURBP-UWVGGRQHSA-N 262.302 0.107 0 50 CCAA COCCN1Cc2nnc(-c3cccnc3)n2[C@@H](C)C1=O 2356144891 QNHPOFCQAYMDBH-JTQLQIEISA-N 287.323 0.890 0 50 CCAA CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1O 4038052 VVSWDMJYIDBTMV-UQPQVDFHSA-N 282.292 0.194 0 50 CCAA biogenic,in-vitro O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1n1cnnc1 100840632 IJSPKZMPNJJNKV-HTQZYQBOSA-N 252.661 0.432 0 50 CCAA Cn1cncc1CN1Cc2ccccc2C[C@@H]1C(N)=O 119744250 VGOMWGHAKQUEMN-CQSZACIVSA-N 270.336 0.832 0 50 CCAA COCCN1CC[C@H](CN(C)Cc2n[nH]c(C)n2)C1 1506415499 YLUZGWMJTUIQKQ-GFCCVEGCSA-N 267.377 0.513 0 50 CCAA COCCn1nc(C)c(CNC(=O)C2(C(=O)O)CC2)c1C 118944038 SMPXERKLLULYNQ-UHFFFAOYSA-N 295.339 0.627 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)Cc2ccon2)[C@H]1C(=O)O 424365068 GCGWIZZPCBGJHS-PSASIEDQSA-N 288.325 0.690 0 50 CCAA O=C(/C=C/c1ccc2c(c1)CCO2)N1C[C@H](O)C[C@H]1CO 364329970 XGZXMKFPIGTORZ-XVQPDXDWSA-N 289.331 0.589 0 50 CCAA C[C@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)NC(N)=O 429242687 WRZUEQUKODESCQ-IONNQARKSA-N 263.297 0.032 0 50 CCAA CN(Cc1n[nH]c2c1CCCCC2)C[C@]1(O)CCNC1 77470447 ZFSFUGYRVURYIQ-HNNXBMFYSA-N 278.400 0.835 0 50 CCAA CN(C)[C@@H]1[C@@H](Nc2ncc(F)cn2)[C@H]2CCO[C@H]21 219165565 URNMNADWLKQLJF-LMLFDSFASA-N 252.293 0.745 0 50 CCAA CC(C)Nc1cc(N2CC[C@H](CO)[C@H](O)C2)ncn1 72151769 ZGXSRWWULZBMEN-GHMZBOCLSA-N 266.345 0.476 0 50 CCAA COC[C@@H]1CN(C(=O)C(F)(F)C2(O)CCC2)CCO1 372335160 UUBBWFYPFSQZMT-VIFPVBQESA-N 279.283 0.411 0 50 CCAA Cn1cc([C@@]2(C)CN(C(=O)[C@@H]3CSCN3)CCO2)cn1 237710207 AUIGOPZGRRAHCI-WCQYABFASA-N 296.396 0.157 0 50 CCAA O=C(c1ccc(-n2cncn2)c(F)c1)N1CCCNCC1 237908790 OERHFZAGXVILSL-UHFFFAOYSA-N 289.314 0.842 0 50 CCAA CCn1ncnc1CN1CCN(C2CCN(C)CC2)CC1 216062326 GRWRPFWAHNIFEZ-UHFFFAOYSA-N 292.431 0.510 0 50 CCAA COc1cccc(CC(=O)N[C@@H]2CCNC[C@H]2O)c1OC 77517996 KBPRHFJUSCKSQO-VXGBXAGGSA-N 294.351 0.085 0 50 CCAA CCCNc1ncc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)cn1 426739788 QIDHUBYCFWPKGZ-NMWPEEMBSA-N 287.411 1.481 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@H](C(=O)O)C2CC2)cn1C 426740556 OFQSBSLIBDVZRE-NSHDSACASA-N 264.281 0.287 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@H]2O 95627041 MLPBVLQLVWQEJM-MRVPVSSYSA-N 277.342 0.013 0 50 CCAA Cc1ccnc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 95356796 JFAZWVRSBXUBOK-LBPRGKRZSA-N 296.396 0.094 0 50 CCAA Cc1nnc(NCC[C@@H]2CCCCN2S(C)(=O)=O)o1 95375255 XRCBMALWTMPNGM-JTQLQIEISA-N 288.373 0.994 0 50 CCAA CCOc1ccc2c(c1)C[C@@H](C(=O)NCC(=O)O)CO2 299751197 PWGSOPZYYMXWEI-SNVBAGLBSA-N 279.292 0.837 0 50 CCAA O=C(O)CN(C(=O)c1cnsn1)C1CCOCC1 299750552 NVPKREMUFPMGQL-UHFFFAOYSA-N 271.298 0.244 0 50 CCAA Cc1cc(C)n(CCCC(=O)NC[C@H]2CN(C)CCO2)n1 534643486 BSDSXZBRZIGLHL-AWEZNQCLSA-N 294.399 0.727 0 50 CCAA CC[C@@H](NC(=O)CCn1ccc(C)n1)c1ncnn1C 534673785 KTGSNORBAYXMED-LLVKDONJSA-N 276.344 0.978 0 50 CCAA CN(C[C@H]1CCCCO1)C(=O)CCc1ccc(=O)[nH]n1 299779419 RHZNELQXZBDWHE-GFCCVEGCSA-N 279.340 0.730 0 50 CCAA CCOC(=O)N1CC[C@H](NC2CCS(=O)(=O)CC2)C1 823241482 ARAULALDMFOOHG-NSHDSACASA-N 290.385 0.384 0 50 CCAA CCOc1ccc(CN2C[C@H](O)[C@@H](OC)C2)cn1 584887691 GYRLAFMGLHZAGS-RYUDHWBXSA-N 252.314 0.672 0 50 CCAA Cc1nnnn1CCC(=O)N[C@H](CO)c1ccc(F)cc1 584896464 YJAPMPKDWMOJCE-GFCCVEGCSA-N 293.302 0.361 0 50 CCAA CCOC(=O)N(C)CC(=O)N1CCc2c(O)ncnc2C1 1875259307 QNHHJOQGQKGQNU-UHFFFAOYSA-N 294.311 0.155 0 50 CCAA C[S@@](=O)CC[C@H](O)C(=O)Nc1ccc2c(c1)OCC2 1875321490 KJARBIADPMNMGQ-JEOXALJRSA-N 283.349 0.690 0 50 CCAA CON(C)C1CCN(S(=O)(=O)NC(C)C)CC1 1875370370 MIEJGDXAOGNNPR-UHFFFAOYSA-N 265.379 0.187 0 50 CCAA COC(=O)/C=C/CNC(=O)C1CCN(C(=O)C2CC2)CC1 1875312297 ZEXTYMWSYWVDAZ-NSCUHMNNSA-N 294.351 0.480 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1N1CCCC1)O[C@H]1CCOC1 952877542 QXMHHQQHZNEMHI-YNEHKIRRSA-N 284.356 0.755 0 50 CCAA COc1cc(OC)nc(NCCN2CCC[C@@H](CO)C2)n1 952965095 DBOWZNLNBHIQOV-LLVKDONJSA-N 296.371 0.610 0 50 CCAA Cc1noc(C[C@]2(O)CCCN(Cc3ccon3)C2)n1 886091757 QHKQRCQELASQRR-CYBMUJFWSA-N 278.312 0.936 0 50 CCAA COc1ccc(CN2CCC(OC)(OC)[C@@H](O)C2)cc1O 1775998206 BHROIAYBZDIJNT-AWEZNQCLSA-N 297.351 0.957 0 50 CCAA Cc1ncc(Cn2cnc3onc(C)c3c2=O)cn1 631017696 JEROYYPWOPPOBD-UHFFFAOYSA-N 257.253 0.840 0 50 CCAA C[C@@H](CN(C)S(=O)(=O)Cc1ccccc1)c1nnn[nH]1 170598975 SUGSOIOQDWLSMJ-JTQLQIEISA-N 295.368 0.765 0 50 CCAA CN1CCN(C(=O)c2cc(N)ncc2Br)CC1 305980298 RGNCYAIZNNRYGM-UHFFFAOYSA-N 299.172 0.814 0 50 CCAA Cn1nnc(Cn2cccc(C(F)(F)F)c2=O)n1 281368281 AQKFYIZTZJQWCA-UHFFFAOYSA-N 259.191 0.439 0 50 CCAA CC1(C)C[C@H](O)CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 585132214 QOIYZLJWSYZBGQ-MJBXVCDLSA-N 296.411 0.859 0 50 CCAA C[C@@H]1CN(CCn2nnn(-c3ccccc3)c2=O)CCO1 188274130 ZHRVLXCTAMYWHG-GFCCVEGCSA-N 289.339 0.150 0 50 CCAA C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CCN1 188459796 WVNMXJMEYOYFOJ-SECBINFHSA-N 275.308 0.451 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 189263270 YSMQUUDAKWWZRV-MNOVXSKESA-N 289.397 0.837 0 50 CCAA Cc1cc(O)nc(NCCNC(=O)[C@@H]2CCC[C@H](O)C2)n1 1074608566 NJPSQNDIGVYPNY-MNOVXSKESA-N 294.355 0.570 0 50 CCAA O=C(O)c1csc(NC(=O)[C@@H]2CCCS2(=O)=O)c1 656239616 ZLFOSDUZQYHHSB-ZETCQYMHSA-N 289.334 0.962 0 50 CCAA CO[C@H](C(=O)N1CCCC[C@H]1C(=O)O)[C@H]1CCOC1 656472744 ANQQITKAZNBERS-DCAQKATOSA-N 271.313 0.504 0 50 CCAA CCCc1nc(C(=O)N2CC[C@H](c3nn[nH]n3)C2)co1 1455133832 RKKPULUUJQSDKE-QMMMGPOBSA-N 276.300 0.770 0 50 CCAA CCN(CCN1CCOCC1)Cc1nnc(C)o1 1529090845 JWPCDZMTHNNAEA-UHFFFAOYSA-N 254.334 0.532 0 50 CCAA COC(=O)[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C 209811233 JFCNGYNPDVUMGR-IUCAKERBSA-N 258.318 0.757 0 50 CCAA COc1ccc(CC(=O)NCCN2CCCC2=O)nc1 575755972 DDXWUUQINKUXQW-UHFFFAOYSA-N 277.324 0.371 0 50 CCAA CCN1CCn2c(nnc2[C@H](O)c2ccccc2)C1=O 1772710841 SWENHFILIQVCOK-LLVKDONJSA-N 272.308 0.836 0 50 CCAA O=C(OCCN1CCOCC1)c1ccc2c(c1)OCCO2 19882903 QWXGDSHNIMRRRB-UHFFFAOYSA-N 293.319 0.947 0 50 CCAA C[C@H]1CN(c2ncc(C(=O)O)cc2Cl)C[C@H](C(N)=O)O1 629767165 HTJNKHCKYFKGRK-IMTBSYHQSA-N 299.714 0.512 0 50 CCAA COCc1noc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)n1 247887531 SDMQTBRRIYPOAU-ZJUUUORDSA-N 281.312 0.759 0 50 CCAA Cc1ccc(OC[C@H](O)CN2CCN(CCO)CC2)cc1 20707444 RGJWPBRQLITFBG-OAHLLOKOSA-N 294.395 0.345 0 50 CCAA C[C@H](C(=O)N1CCO[C@H](Cn2cccn2)C1)n1cccn1 264719538 HEGXAZTYAAHUIJ-OLZOCXBDSA-N 289.339 0.568 0 50 CCAA CCc1nnc(CN2Cc3nc(C)nc(O)c3C2)o1 931319988 IYBXVAXYIJZRCC-UHFFFAOYSA-N 261.285 0.952 0 50 CCAA CCOC[C@@H](O)CN1CCN(c2cccc(O)c2)CC1 113499575 GECCFFMNJFESMJ-HNNXBMFYSA-N 280.368 0.912 0 50 CCAA Cn1cc(CN2Cc3ccccc3[C@H](C(=O)O)C2)nn1 236110044 ZOGLTNFWGHYCNU-CYBMUJFWSA-N 272.308 0.999 0 50 CCAA O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCOCC1 12343481 INQJHIWNTOWWCU-NSHDSACASA-N 266.341 0.636 0 50 CCAA CN(Cc1nnn(C)n1)S(=O)(=O)c1ccc(F)cc1 283420851 BNMWYLUZDLLYNQ-UHFFFAOYSA-N 285.304 0.170 0 50 CCAA CC(C)[C@@H](CC(=O)O)NC(=O)CCc1cn[nH]c1 426368297 KXDLJJMHKDMMFG-SNVBAGLBSA-N 253.302 0.958 0 50 CCAA C[C@](O)(CN1CCC[C@H](C(=O)NCCN)C1)C(F)(F)F 380765180 QKZXSLFKVHZXSP-ONGXEEELSA-N 297.321 0.087 0 50 CCAA CCc1nccn1CCCNC(=O)NCCC(=O)O 823557369 OHAWCQVZSXWHHI-UHFFFAOYSA-N 268.317 0.610 0 50 CCAA CCN1CCN(C(=O)[C@@H]2CCC(=O)N(CC)C2)[C@H](C)C1 2325754182 LBXMBQGSJDDQBU-CHWSQXEVSA-N 281.400 0.798 0 50 CCAA CN1CC[C@H](O)[C@H](C(=O)N(C)Cc2cscn2)C1 2356159458 BCSBZPJBBPNBSK-MNOVXSKESA-N 269.370 0.414 0 50 CCAA O=C1NC[C@H]2CN(c3nc(-c4ccccc4)no3)C[C@@H]12 2356165891 JNSJNVHMTQWGLK-WDEREUQCSA-N 270.292 0.919 0 50 CCAA CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C 4810097 LHLXNLGUIFOJNX-UHFFFAOYSA-N 282.369 0.812 0 50 CCAA CN[C@H]1CCCN(S(=O)(=O)[C@@H](C)CCOC)C1 225427398 BXAGTIKAQLZNEZ-QWRGUYRKSA-N 264.391 0.425 0 50 CCAA CC(C)Nc1cc(N2CCN(C)[C@H](C(=O)O)C2)ncn1 67713598 VFGJPBULLSSIAC-JTQLQIEISA-N 279.344 0.502 0 50 CCAA CCOc1cc(N2CCC(N3CCNC3=O)CC2)ncn1 136026171 PROBEHLFKZGTTB-UHFFFAOYSA-N 291.355 0.869 0 50 CCAA CCn1ncnc1[C@@H](C)NC(=O)Cn1nc2ccccc2n1 67818381 ARAXSDPYQZOFDN-SNVBAGLBSA-N 299.338 0.920 0 50 CCAA COc1ccc2c(c1)OC(C)(C)CN(S(N)(=O)=O)C2 331415149 KHXDVXYYGWBXQW-UHFFFAOYSA-N 286.353 0.872 0 50 CCAA C[C@H](c1cccnc1)N(C)C(=O)CS(C)(=O)=O 67676833 DBYIYWAJCCNTND-SECBINFHSA-N 256.327 0.646 0 50 CCAA Cc1cnc[nH]c1=NC[C@H]1CCc2nnc(C)n2C1 603293892 RVMJNXWDCWVQPN-LLVKDONJSA-N 258.329 0.781 0 50 CCAA COC1=C(OC)[C@@](O)(C2=CCCC[C@@H]2OC)C1=O 39021584 FQZCFGIEZJTGPO-TVQRCGJNSA-N 254.282 0.930 0 50 CCAA C[C@H](O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 123145860 HWWUZKBIGCOWRT-KWBADKCTSA-N 289.397 0.682 0 50 CCAA CC(=O)NCc1ccc(C(=O)N2CCNC[C@@H]2C)s1 126436514 DFTBVPPVAULLRM-VIFPVBQESA-N 281.381 0.818 0 50 CCAA O=C(CN1CCOC1=O)NC[C@@H]1OCCc2ccccc21 215160900 KBXLHAYHERFVJY-ZDUSSCGKSA-N 290.319 0.869 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2nccn2CC(C)C)N(C)C1 330541504 IBRIRKKNFDWAKZ-STQMWFEESA-N 294.399 0.874 0 50 CCAA O[C@]1(CNCc2cnn3ccccc23)CCCNC1 72419988 FABNGBZXRSQSGY-CQSZACIVSA-N 260.341 0.538 0 50 CCAA CCN(Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1COC[C@@H]1O 215408785 PSUCCXPWPYORTH-STQMWFEESA-N 289.339 0.448 0 50 CCAA CC(=O)c1cc(CN2CCOC[C@H](CO)C2)n(C)c1 77356026 NBNONDBITPXOEK-LBPRGKRZSA-N 266.341 0.668 0 50 CCAA C[C@@H]1Cc2cc(S(=O)(=O)NCC(=O)O)ccc2O1 261692632 NBMJQJPEGJMTKW-SSDOTTSWSA-N 271.294 0.373 0 50 CCAA N[C@H]1CC[C@@H](NC(=O)c2ccn3cnnc3c2)CC1 244708241 KPYNQMNWSYDLAJ-PHIMTYICSA-N 259.313 0.729 0 50 CCAA CO[C@H]1C[C@@H](CN(C)c2ncnc(N)c2Cl)N(C)C1 284584676 PNVRAHNHBDKHBM-IUCAKERBSA-N 285.779 0.868 0 50 CCAA C[C@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)c1nncn1C 240894782 IPUMFLPFDNDNRA-LPEHRKFASA-N 267.333 0.743 0 50 CCAA CCO[C@H]1CN(C(=O)CCn2ccnc2C)C[C@@H]1O 223243556 CLENZBIFGIDUTN-RYUDHWBXSA-N 267.329 0.190 0 50 CCAA CC(=O)NCc1cc2n(n1)CCN(C[C@H]1CCC(=O)O1)C2 426503063 DYHGBXHDQXREEV-CYBMUJFWSA-N 292.339 0.040 0 50 CCAA COCC1(NC(=O)Cn2cccnc2=O)CCCC1 97495101 ZMVNSCUUTBSJAD-UHFFFAOYSA-N 265.313 0.319 0 50 CCAA CCO[C@@H](C)C(=O)N1Cc2nc(C)nc(O)c2C1 426404412 WDPFVIVUCDFOAQ-ZETCQYMHSA-N 251.286 0.758 0 50 CCAA COc1ccc2c(c1)OC[C@H](CNC(=O)CO)C2 92021888 PNBDCSUZLFKCTJ-VIFPVBQESA-N 251.282 0.355 0 50 CCAA CC(=O)c1c(C)nn(CC(=O)NC[C@@H]2C[C@H](F)CN2)c1C 240499963 NPNZTJVNXPNSGI-RYUDHWBXSA-N 296.346 0.519 0 50 CCAA CC(=O)NCC1CCN(CCn2cc[nH]c2=O)CC1 243919584 BPGNQHZMWSBTBS-UHFFFAOYSA-N 266.345 0.025 0 50 CCAA COCCN(CC(=O)O)C(=O)c1cccc2c1OCO2 299753559 YPPYHWKEDRLUAN-UHFFFAOYSA-N 281.264 0.589 0 50 CCAA CN(Cc1ccoc1)C(=O)NCCS(=O)(=O)N(C)C 358517661 SIEXWEPFJDZUQC-UHFFFAOYSA-N 289.357 0.312 0 50 CCAA COCCN1CC[C@H](CN(C)C(=O)c2cncn2C)C1 584891049 CWJDALPQXOEGQJ-GFCCVEGCSA-N 280.372 0.460 0 50 CCAA CCCCNC(=O)N1CCC(c2nc(=N)n(C)[nH]2)CC1 585135130 YXJFTYHMEDLEHY-UHFFFAOYSA-N 280.376 0.917 0 50 CCAA CN1CCC(OCCCNc2ccc(C(=O)O)nn2)CC1 584901727 SGAMQSIBSSCWMM-UHFFFAOYSA-N 294.355 1.088 0 50 CCAA O=C1CC[C@H](N2CCC(O)(CN3CCCC3)CC2)CCN1 828305336 IXBJPUKVQCKRRT-AWEZNQCLSA-N 295.427 0.578 0 50 CCAA CN1CCC(CN(C)C(=O)CNC(=O)N(C)C)CC1 584887649 GARHBLBNOMBFRQ-UHFFFAOYSA-N 270.377 0.058 0 50 CCAA CN(CCCCN1CCOCC1)c1cncc(C(N)=O)n1 670458031 ZLXMMFASCKRHMV-UHFFFAOYSA-N 293.371 0.124 0 50 CCAA CN(Cc1nncn1C)c1nnnn1-c1ccccc1 670461825 HOFGYFMLKFDFBI-UHFFFAOYSA-N 270.300 0.427 0 50 CCAA Cc1cccc2ncn(C[C@]3(O)CCCNC3)c(=O)c12 670446895 IYGAOWXIUQOCKO-HNNXBMFYSA-N 273.336 0.819 0 50 CCAA O=C(NC1CSC1)c1cc(O)nc(C2CC2)n1 880729136 HNPLIMSIYYWFDJ-UHFFFAOYSA-N 251.311 0.905 0 50 CCAA CCN(C[C@H]1CCCCO1)C(=O)CN1CCOC1=O 952977175 PITSTTLUGOGAOG-LLVKDONJSA-N 270.329 0.856 0 50 CCAA COCCc1nc(CNC(=O)C2=C(C)OCCO2)no1 952977527 NZLMTLIMJCTYPF-UHFFFAOYSA-N 283.284 0.153 0 50 CCAA CC(C)[C@H]1C=CCN1C(=O)[C@H]1CCCN(CC(N)=O)C1 952869479 LJSJMRORFIPRHS-QWHCGFSZSA-N 279.384 0.607 0 50 CCAA CCOC(=O)c1cnc(NN(C)C[C@@H](C)O)nc1C 952883923 ZMVRJWMTAXYGFE-MRVPVSSYSA-N 268.317 0.601 0 50 CCAA CN1[C@H]2CC[C@H]1CC(O)([C@@H](N)c1ccnn1C)C2 958527602 BAPFJWCTLOAQBE-NHCYSSNCSA-N 250.346 0.408 0 50 CCAA O=C(O)C[C@@H]1CN(Cc2nccs2)C[C@@H]1c1cnn[nH]1 1076045542 AXMYDPSAEHELDS-BDAKNGLRSA-N 293.352 0.952 0 50 CCAA CO[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1c1cnn[nH]1 888076876 QNDHLHJCRSZBLR-CMPLNLGQSA-N 275.312 0.316 0 50 CCAA CC(C)NS(=O)(=O)N[C@H](CCO)c1ccco1 274339162 ARNJYVIZPAAMNU-SECBINFHSA-N 262.331 0.536 0 50 CCAA Cc1cccnc1CN1CCC[C@](O)(c2cnn[nH]2)C1 583617402 GVVDUILQCKJACZ-CQSZACIVSA-N 273.340 0.992 0 50 CCAA CCCCCOCC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C 585089892 AUOBHBUJJHHRBB-ZDUSSCGKSA-N 299.415 0.772 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(CCc2ccncc2)C1 643809700 PZDPFMKIJLZUKA-INIZCTEOSA-N 291.395 0.929 0 50 CCAA CCc1cccc(C(=O)NCCc2nc(=O)o[nH]2)n1 562710016 BWAKYMMGQMQJAF-UHFFFAOYSA-N 262.269 0.293 0 50 CCAA CN(C(=O)[C@@H]1CCCCC(=O)N1)c1cnn(C)c1 194182571 FVKUTKRISVOIPE-JTQLQIEISA-N 250.302 0.442 0 50 CCAA Cc1ccn(-c2ccc(N3C[C@H]4C[C@@]4(CO)C3)nn2)n1 782401563 FEJOCXSFPWARKC-RISCZKNCSA-N 271.324 0.789 0 50 CCAA COC[C@H](O)CN(C)c1cc(C(C)C)nc(N)n1 95366268 CUJJKKQJMAFDJB-SECBINFHSA-N 254.334 0.626 0 50 CCAA C[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1C(N)=O 408039680 XEUJNKJIKOIZLQ-RNFRBKRXSA-N 252.236 0.909 0 50 CCAA O=C1C[C@H]2NCC[C@H]2N1Cc1nc(O)c2ccccc2n1 1800410578 WANZJMROQVDYME-VXGBXAGGSA-N 284.319 0.798 0 50 CCAA O=C(Cc1ccc(F)c(F)c1F)N[C@H]1CCNC[C@@H]1O 222371282 VLUGOUVIJNEEGF-UWVGGRQHSA-N 288.269 0.485 0 50 CCAA CC(C)N1CC[C@@H](NC(=O)c2cnns2)C1=O 114656482 LSSWTXUQXFNAJH-SSDOTTSWSA-N 254.315 0.277 0 50 CCAA CN1C[C@@H](NC(=O)CCc2cncs2)CCC1=O 550969285 UVPOVQCRJZYRSC-VIFPVBQESA-N 267.354 0.813 0 50 CCAA N[C@@H]1CN(C(=O)Cn2ncc3cccnc32)CC12CCC2 1615555321 QZMJYULUIWBZAJ-GFCCVEGCSA-N 285.351 0.771 0 50 CCAA COCCN1CN(C(=O)[C@H]2CC23CCOCC3)CC1=O 374537899 OTVBGRJZZRYGIR-LLVKDONJSA-N 282.340 0.078 0 50 CCAA Cc1cccc(C(=O)N2C[C@@H]3[C@@H](C2)C3(CO)CO)n1 1772704276 DOENQPBMCIDTON-GHMZBOCLSA-N 262.309 0.063 0 50 CCAA CS(=O)(=O)C1(C(=O)N2CCC[C@H](CCO)CC2)CC1 1548490856 HHAGOTVYLVUNNS-NSHDSACASA-N 289.397 0.575 0 50 CCAA O=C1CCCCCN1CCC(=O)N1CCN2CC[C@H]1C2 1857683810 YYQTZVCYXJBTMG-ZDUSSCGKSA-N 279.384 0.696 0 50 CCAA Cc1cc(C)n(CCNC(=O)[C@H]2CC[C@@H](N)[C@H](O)C2)n1 1857711822 NDSPOLJWSLKZIU-YNEHKIRRSA-N 280.372 0.104 0 50 CCAA Cc1ccc(CC(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc1F 1875246786 MTTFPGXGKRSWAR-CTHBEMJXSA-N 295.310 0.320 0 50 CCAA CC[C@H](N)C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 236907078 UFVOFQIGEOBOJB-ZNMIVQPWSA-N 291.395 0.475 0 50 CCAA NC(=O)[C@@H]1CN(C[C@H]2CC3CCC2CC3)CCO1 585116973 NYQDIUHJMNGTGI-TUUUFIMRSA-N 252.358 0.999 0 50 CCAA O=C(c1cnn2ccccc12)N1CCC[C@](O)(C(=O)O)C1 395299912 SYUVKPZAWMOKCR-CQSZACIVSA-N 289.291 0.386 0 50 CCAA Cn1c(=O)c2[nH]c(-c3ccc(F)cc3)nc2n(C)c1=O 6447472 JPESVWUOVQWRQV-UHFFFAOYSA-N 274.255 0.766 0 50 CCAA CCn1nc(C)cc1C(=O)N1CCOC[C@H]1CC(=O)O 129450982 MJCJZZWQKQGCGT-SNVBAGLBSA-N 281.312 0.527 0 50 CCAA COC(=O)c1ccc(N2C[C@@H](C)C[C@H](C(=O)O)C2)nn1 263203041 MQCSKDHQESOZMC-IUCAKERBSA-N 279.296 0.810 0 50 CCAA CCc1ccccc1S(=O)(=O)N[C@H](CCO)C(=O)O 277235931 JTULZHFDCZBRMA-SNVBAGLBSA-N 287.337 0.363 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(CC(=O)NC2CCCC2)C1 310921215 BRQMJLLPVCBOQB-NWDGAFQWSA-N 256.346 0.127 0 50 CCAA CCCn1nccc1C(=O)NC1(C(=O)O)CCOCC1 426431110 MGJZGOSNVBBVFZ-UHFFFAOYSA-N 281.312 0.657 0 50 CCAA O=C(Cc1c(F)cccc1F)N[C@@H]1CCO[C@@H]1C(=O)O 702980680 CZFBKNOVLASINC-PWSUYJOCSA-N 285.246 0.866 0 50 CCAA CCNc1nc(SC)nc(N(C#N)CC(=O)OC)n1 282952 RZZMWFQZYXUBJV-UHFFFAOYSA-N 282.329 0.486 0 50 CCAA aggregator O=C(O)CN1CCc2nc(Cc3ccccc3)nn2CC1 2356167830 DYCHMELYTDZESE-UHFFFAOYSA-N 286.335 0.812 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccncc1 344716316 WHYVFNUZSUEPJP-NWDGAFQWSA-N 250.298 0.958 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C[C@H]2[C@H]2C3CCC(CC3)[C@@H]21 101049953 VZEYQDKAECHXEM-OUTICDTFSA-N 261.325 0.900 0 50 CCAA CC[C@@H]1C(=O)NCCN1CCOc1ccccc1C(=O)O 113218884 YXNXEPTVFDHZBE-GFCCVEGCSA-N 292.335 0.974 0 50 CCAA CC1(C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 177827405 JXZIDEPLQQUSGM-UHFFFAOYSA-N 260.359 0.280 0 50 CCAA CN1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1=O 172543738 RBLVQGKUPLAQDO-CYBMUJFWSA-N 284.319 0.833 0 50 CCAA CCOC(=O)CN1CCN(c2ccc(C(C)=O)cn2)CC1 65403302 CKHKEZRKMLOBSR-UHFFFAOYSA-N 291.351 0.969 0 50 CCAA C[C@@H](C(N)=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 229433567 SPZDGMWEMMYXPR-GXSJLCMTSA-N 253.346 0.098 0 50 CCAA CNC(=O)[C@H](C)N1CCC[C@@H](c2ccnc(COC)n2)C1 229752588 GTBNAPOYCSGVAN-NWDGAFQWSA-N 292.383 0.937 0 50 CCAA COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1 49137 WMPXPUYPYQKQCX-UHFFFAOYSA-N 280.309 0.868 0 50 CCAA biogenic,in-man CSCC[C@H](NC(C)=O)C(=O)NCc1nccn1C 216480918 VRFSFWMLXUPOOJ-JTQLQIEISA-N 284.385 0.294 0 50 CCAA CCc1nc(C(=O)NS(=O)(=O)c2cccnc2)co1 122563183 WPPYSFAUYXAZTG-UHFFFAOYSA-N 281.293 0.751 0 50 CCAA O=C(c1cn2c(n1)CCCC2)N1CCN2C(O)=NC[C@H]2C1 328715237 OKAUKKTWXOKZBC-JTQLQIEISA-N 289.339 0.273 0 50 CCAA Cc1cc(CC(=O)N2CC(F)(F)C[C@H]2CO)no1 366686276 VBHTVLBWGPLOHM-VIFPVBQESA-N 260.240 0.754 0 50 CCAA CN(C)C/C=C/C(=O)N(C)[C@H]1CCCCNC1=O 377792530 YHJGEZBWORKIOW-IOCXFXADSA-N 253.346 0.231 0 50 CCAA O=C(Cc1ccc2c(c1)OCO2)N1CCOC[C@@H](CO)C1 77428280 HSQYOHVJMKDZMH-GFCCVEGCSA-N 293.319 0.425 0 50 CCAA O=C(NC[C@H](O)C1CCOCC1)[C@H]1C[C@H]1C1CC1 333165677 OPLUTZKFYXIHGM-AVGNSLFASA-N 253.342 0.936 0 50 CCAA Cc1ccsc1C(=O)NCCc1noc(CO)n1 215100298 BMNYWFWUUHCUCK-UHFFFAOYSA-N 267.310 0.904 0 50 CCAA COc1ncc(CN2C[C@H](OC)C[C@H]2CO)c(C)n1 375416331 RLZXCBDROYCBIQ-NWDGAFQWSA-N 267.329 0.375 0 50 CCAA Cc1cc(CC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)n[nH]1 288412279 TYOQXDUZECNPMD-LBPRGKRZSA-N 290.367 0.732 0 50 CCAA CC(C)COC[C@H](O)CN1C(=O)[C@H](C)[C@@H](C)C1=O 246123831 LSONCIUIYDTBGL-GMTAPVOTSA-N 257.330 0.661 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1c(C)n[nH]c1C 223384080 UUUBNSTWXYPCQI-BTQDYEIMSA-N 293.367 0.735 0 50 CCAA CN(CC(C)(C)O)[C@H]1CCN(c2cnn(C)c2)C1=O 177728677 OJBCPHNLMTVLEW-NSHDSACASA-N 266.345 0.228 0 50 CCAA CS[C@H](C)CC(=O)N1CCOC[C@H]1CC(=O)O 263511065 CHPNSZARGBBKQV-RKDXNWHRSA-N 261.343 0.830 0 50 CCAA c1nc([C@@H]2CCOC2)cc(=NCCN2CCOCC2)[nH]1 426503475 VEUGDKZGZWWONJ-GFCCVEGCSA-N 278.356 0.147 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)CCc3cncnc3)[C@H]2C1 292568391 XSYVPHCYJJTTIZ-UONOGXRCSA-N 290.367 0.341 0 50 CCAA CC[C@H](CO)NC(=O)NCCN=c1cc[nH]cc1C 426465445 LHGNBLGQMLUIPN-LLVKDONJSA-N 266.345 0.294 0 50 CCAA CCc1nc(CNC(=O)N2CCC[C@@]3(CCNC3)C2)no1 426581337 UQCVHZBBELUJNX-AWEZNQCLSA-N 293.371 0.917 0 50 CCAA CC(C)(C)OC(=O)NC1(CC(=O)O)CS(=O)(=O)C1 96024415 GSLNRAPHBWJQCW-UHFFFAOYSA-N 279.314 0.153 0 50 CCAA COc1c[nH]c(C(=O)Nc2cccn3nnnc23)cc1=O 524734717 GXIJOTGZILFZRS-UHFFFAOYSA-N 286.251 0.074 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@]23C=C[C@@]12CC=CC3 248063129 VCYLHQAOXOQRAP-GVARAGBVSA-N 269.304 0.907 0 50 CCAA C[C@H]1CCCN1S(=O)(=O)NCc1nccs1 184904036 SKXWRZJVBPPSEB-QMMMGPOBSA-N 261.372 0.962 0 50 CCAA CC[C@H](NS(=O)(=O)c1cnn(C)c1)c1ncnn1CC 534588979 HKZDEGUJAJDTBK-JTQLQIEISA-N 298.372 0.461 0 50 CCAA O=C(c1cccc(-c2ncccn2)c1)N1CC[C@@](O)(CO)C1 299775590 KRCZJBNQLZCMOQ-INIZCTEOSA-N 299.330 0.713 0 50 CCAA CCSCC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299758223 PRDJALLNODYBCG-WDEREUQCSA-N 282.369 0.703 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Cc1nonc1C 824504860 PPYLZRVHWMVVNO-RYUDHWBXSA-N 282.344 0.144 0 50 CCAA O=C(O)CC1(NC(=O)Cn2nnc3c2CCCC3)CCC1 863981860 PPMYFCOKHQXVII-UHFFFAOYSA-N 292.339 0.671 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)[C@H]1CCCOC1 1875367138 OBDUPDMLAFROMW-NSHDSACASA-N 254.330 0.658 0 50 CCAA COC(=O)c1n[nH]c(NC(=O)c2ccc3c(c2)CCO3)n1 1875257796 QGPQYTNHFJOEBH-UHFFFAOYSA-N 288.263 0.779 0 50 CCAA CCN(Cc1cccc(OC)c1)C(=O)Cn1[nH]nnc1=N 952970156 SZFUBDGCNPGMQD-UHFFFAOYSA-N 290.327 0.143 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N(C)Cc2cc[nH]n2)C1=O 886075576 OUKIINQZOOAWJO-LBPRGKRZSA-N 294.355 0.396 0 50 CCAA CNS(=O)(=O)[C@H]1CCN(Cc2cnn(C)c2C2CC2)C1 892236014 ARLYZMWXAOAVSX-LBPRGKRZSA-N 298.412 0.421 0 50 CCAA OCC(F)(F)CN1CCN(c2ncc(Cl)cn2)CC1 895101598 IXLUPLWNQIZOPO-UHFFFAOYSA-N 292.717 0.880 0 50 CCAA CN(C)c1ccc2nnc(CNc3cnccn3)n2n1 1354277631 ARBHXDQNKDZOEE-UHFFFAOYSA-N 270.300 0.592 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(N)nc1 1565528530 MOQCBWQUUDNGJK-RYDUCSDGSA-N 276.340 0.111 0 50 CCAA CSCC[C@H](C)NS(=O)(=O)CCN1CCOC1=O 1434547828 JFXYPMRGAMGIRV-VIFPVBQESA-N 296.414 0.500 0 50 CCAA CC(=O)c1cn(Cc2ccc(Cl)cn2)c(=O)n(C)c1=O 135465072 MILNZTYPWQQVAM-UHFFFAOYSA-N 293.710 0.846 0 50 CCAA O=C(NS(=O)(=O)c1cccs1)[C@H]1C[C@@]12CCOC2 408476128 JSBPQZPAOKGPHZ-LDYMZIIASA-N 287.362 0.980 0 50 CCAA CN1CCN(C(=O)CCN2CCSC[C@@H]2C2CC2)CC1 408519447 KECJRSFUENYXOR-CQSZACIVSA-N 297.468 0.978 0 50 CCAA COc1cc(OC)nc(N[C@H](C)C[S@](C)=O)n1 169042655 GDDLOETVYRVWNM-IWEMQMMOSA-N 259.331 0.673 0 50 CCAA COCc1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)o1 192842343 SYPAYZZZXUBPSD-LBPRGKRZSA-N 287.337 0.733 0 50 CCAA CCN1C[C@@H](CNC(=O)NCC2(N)CCCCC2)CC1=O 652202728 RXFRDLDDSPASAP-GFCCVEGCSA-N 296.415 0.816 0 50 CCAA COCCN(C)c1ncc(F)c(=NCC(F)F)[nH]1 585133106 SZPWKHPCBWKFNK-UHFFFAOYSA-N 264.251 0.797 0 50 CCAA CC1(C)C[C@H](O)CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 585132213 QOIYZLJWSYZBGQ-MGPQQGTHSA-N 296.411 0.859 0 50 CCAA CCc1nn(C)c(NC(=O)CCn2cnnc2)c1C 1506398691 QTOSSYIATZYFPC-UHFFFAOYSA-N 262.317 0.911 0 50 CCAA CCNC(=O)C1(NC(=O)C2CCOCC2)CCCC1 239672654 BUMLVFWWHGJZCS-UHFFFAOYSA-N 268.357 0.978 0 50 CCAA COc1nc(N2CCN3C(=O)OC[C@H]3C2)ncc1F 1772702339 JMOREYYUCBPYKX-SSDOTTSWSA-N 268.248 0.265 0 50 CCAA O=S1(=O)CC[C@@H](S(=O)(=O)Nc2ccccc2)C1 5009357 LEZHBTCARCVQFQ-SNVBAGLBSA-N 275.351 0.615 0 50 CCAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cnc[nH]1 19879445 PXJBCPMJPOFJDR-UHFFFAOYSA-N 291.307 0.991 0 50 CCAA Cc1cn2nc(C(=O)Nc3cccnc3)cc2c(=O)[nH]1 206645064 DGXCSDVAKJLGNR-UHFFFAOYSA-N 269.264 0.978 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2cc(C)n(C)n2)C[C@@H]1O 1857738884 CLXWGNPPFNUJJQ-DZGCQCFKSA-N 295.383 0.714 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(CC(=O)NC)CC1 408382497 DBUOKUKJTANAPF-STQMWFEESA-N 297.399 0.082 0 50 CCAA C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O 2164047 RNBMQRYMCAVZPN-VIFPVBQESA-N 280.280 0.502 0 50 CCAA in-vitro CCCCn1nc(C(=O)N2C[C@@H](C)N[C@H](C)C2)ccc1=O 153893278 SFEIMQVQFUJQOL-VXGBXAGGSA-N 292.383 0.866 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(CCCn1cccn1)C2 1704334395 IPDQQCRZMLBGQQ-KGLIPLIRSA-N 264.373 0.536 0 50 CCAA O=C(O)[C@@H]1c2ccoc2CCN1C(=O)c1cc[nH]n1 910203402 WUSFYOXFXHEXLN-JTQLQIEISA-N 261.237 0.827 0 50 CCAA COCc1ccc(CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3N2)cc1 912357799 UBOFUVCRQZRLJT-KKUMJFAQSA-N 290.363 0.969 0 50 CCAA CN(C)S(=O)(=O)NCc1ccc2c(c1)OCO2 4141260 WXUJNGDXHICNJX-UHFFFAOYSA-N 258.299 0.311 0 50 CCAA C[C@](O)(CNC(=O)c1ncccc1O)C(F)(F)F 270822966 BNUHGVYJLGDYSM-VIFPVBQESA-N 264.203 0.830 0 50 CCAA CCN(C)S(=O)(=O)N1C[C@@H](C)C[C@H](C(=O)O)C1 263168005 JAQNGBYBWAGROK-IUCAKERBSA-N 264.347 0.226 0 50 CCAA C[C@@H](C(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1)n1cccn1 659227418 SHRZEFJKEVHWEB-LPEHRKFASA-N 251.286 0.766 0 50 CCAA CCNc1ccnc(NCCc2nc(C)cc(=O)[nH]2)n1 65495456 PMQXQRQMKTXPCT-UHFFFAOYSA-N 274.328 0.955 0 50 CCAA CSCC[C@@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)O 426487889 GUSWFHUBEWIOPG-SECBINFHSA-N 284.337 0.321 0 50 CCAA CCCOC[C@H]1CCN(CC(=O)N2CCNCC2)C1 670450650 SZEJJPYAOTUVLE-ZDUSSCGKSA-N 269.389 0.167 0 50 CCAA O=C(O)CN(C(=O)[C@H]1CCCS1(=O)=O)c1ccccc1 584540286 SZJBXRJFHJSPNO-LLVKDONJSA-N 297.332 0.681 0 50 CCAA CSCCN1CCN(C(=O)CCc2cn[nH]c2)CC1 584902686 HGTMEAUVDDPXPW-UHFFFAOYSA-N 282.413 0.850 0 50 CCAA Cn1nnnc1[C@H]1CN(Cc2nnc(C3CC3)o2)CCO1 2100547333 GJSYGZJONQZRSA-SECBINFHSA-N 291.315 0.044 0 50 CCAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]32)nn1 2325777737 ZONZDMYNCUSZDF-BBBLOLIVSA-N 281.337 0.636 0 50 CCAA Cc1cc(=O)n(C)c(=O)n1CCCN1CCCCC1 392126 HBDFEWRWTKLDEY-UHFFFAOYSA-N 265.357 0.731 0 50 CCAA O=c1[nH]cc(S(=O)(=O)Nc2cccc(F)c2)c(=O)[nH]1 4479996 XZFVXORIQHMPJB-UHFFFAOYSA-N 285.256 0.003 0 50 CCAA CCN1CCO[C@@H](CCNC(=O)C(=O)c2ccco2)C1 67946449 AMHLBXLYPAULCA-NSHDSACASA-N 280.324 0.689 0 50 CCAA COC(=O)[C@H](CO)NCC(=O)NC1CCCCCCC1 65381962 MANODNPTQOXUTM-LBPRGKRZSA-N 286.372 0.339 0 50 CCAA CCOCCCNC(=O)C(=O)NCc1nc(C)cs1 253408207 YYXIRBCFIJNCIL-UHFFFAOYSA-N 285.369 0.611 0 50 CCAA Cc1c(S(=O)(=O)NCC[C@H]2CCOC2)cnn1C 330169164 BGRXDSHJQSUCNN-JTQLQIEISA-N 273.358 0.433 0 50 CCAA CO[C@H]1C[C@@H](CN(C)Cc2nc(N(C)C)no2)N(C)C1 330545653 KKBYUHQWIIDQLJ-QWRGUYRKSA-N 283.376 0.287 0 50 CCAA CCNC(=O)CN1C[C@H](C)OC2(CCOCC2)C1 369294604 RMXWNZAPTGMXQT-NSHDSACASA-N 256.346 0.392 0 50 CCAA Cc1noc([C@H]2CN(C(=O)c3cn[nH]c3C)CCN2C)n1 284716105 RXTDZGKIYDGUQJ-LLVKDONJSA-N 290.327 0.538 0 50 CCAA CNS(=O)(=O)c1ccc(CN(C)Cc2ncc[nH]2)cc1 71754710 NCEXOSFTKWFSEZ-UHFFFAOYSA-N 294.380 0.950 0 50 CCAA CC(C)(F)c1nc(CS(=O)(=O)NC2CC2)no1 333255657 ZIMDZWLARQJQBM-UHFFFAOYSA-N 263.294 0.856 0 50 CCAA C[C@H](O)CN1CCN(CC(=O)N2CCCC[C@@H]2C)C[C@H]1C 241846614 SMFQJYIJCSYXBQ-ZNMIVQPWSA-N 297.443 0.774 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Cc2ccn[nH]2)C1 286217240 CJRWEFJJLOMKFP-KBPBESRZSA-N 292.383 0.664 0 50 CCAA CN[C@@H]1CCCN(C(=O)c2ccccc2S(C)(=O)=O)C1 133240642 SUWJEAMYVAMBGB-LLVKDONJSA-N 296.392 0.914 0 50 CCAA COc1c(C)cccc1C(=O)N[C@@H]1CCOC[C@H]1O 223363564 MGVQLTJXZRJTGW-VXGBXAGGSA-N 265.309 0.883 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Cn1ccccc1=O 426428286 KQRHTZXSMOCUJH-STQMWFEESA-N 293.367 0.072 0 50 CCAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)CN1CSCC1=O 248127474 MCYADWASOYUBAP-NWDGAFQWSA-N 297.424 0.605 0 50 CCAA COC(=O)c1cn(-c2cnn(C)c2)cc2c(=O)[nH]nc1-2 253412015 PQIGQLKNHDDDJC-UHFFFAOYSA-N 273.252 0.186 0 50 CCAA c1ccc(CCN2CCN(c3nc[nH]n3)CC2)nc1 252509048 YBROJKNMOBXIQB-UHFFFAOYSA-N 258.329 0.564 0 50 CCAA CCN1C[C@H](NC(=O)c2[nH]nc(N)c2Cl)[C@@H](OC)C1 534655911 NDSCMAPFBMZKRY-BQBZGAKWSA-N 287.751 0.094 0 50 CCAA CC(C)c1nc(CCNC(=O)c2[nH]cnc2C(=O)O)no1 299801280 XUZNLXQUYAHKSG-UHFFFAOYSA-N 293.283 0.587 0 50 CCAA CCOC(C)(C)C(=O)NCCN1CCC[C@H](CO)C1 823289042 LMIQMPWKDYQQDN-LBPRGKRZSA-N 272.389 0.622 0 50 CCAA Cc1nc(N2C[C@H](O)[C@@H](N(C)C)C2)nc2c1CCCC2 670464648 AIRPKJLLJCUQSV-KBPBESRZSA-N 276.384 0.775 0 50 CCAA C=CC(=O)N1CC(C(=O)NC2CC(Cn3ccnc3)C2)C1 1875387512 LNOMFYCWUJZJIR-UHFFFAOYSA-N 288.351 0.422 0 50 CCAA Cc1ncc(CNC(=O)C[C@H](O)C2CC2)c(O)n1 1875283363 PBUSAQFELMCQCD-JTQLQIEISA-N 251.286 0.268 0 50 CCAA O=C(N=c1[nH]ncs1)N1CC[C@H]2CC[C@@H](O)[C@H]21 1875298572 GDJHJFMUSMLKNP-PRJMDXOYSA-N 254.315 0.337 0 50 CCAA Cc1cc(N)n(CC(=O)N2CCn3cccc3C2)n1 952970537 LDSGVOCWWJWMJY-UHFFFAOYSA-N 259.313 0.618 0 50 CCAA Cc1nc(C[C@H]2NC(=O)NC2=O)n(C(C)(C)C)n1 952860523 PSFLMELSUUGHSG-SSDOTTSWSA-N 251.290 0.092 0 50 CCAA Cc1ncccc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076134992 PBEAODKGXDAJNG-KGLIPLIRSA-N 299.334 0.968 0 50 CCAA CO[C@H]1CCN([C@H]2CCC[C@H]2NCCN2CCNC2=O)C1 886082568 PCTJENWFRSYXMK-MJBXVCDLSA-N 296.415 0.243 0 50 CCAA C[C@H]1CC[C@H](CC(=O)NCCN2CCNC2=O)C1 894582442 SZVQUGLDOJQNLD-QWRGUYRKSA-N 253.346 0.954 0 50 CCAA COC[C@H]1C(=O)N[C@@H](c2ccnc(OC)c2F)N1C 899378309 PMKDIGMHNLJJHR-WCBMZHEXSA-N 269.276 0.305 0 50 CCAA Cn1nccc1-c1cn(CCO[C@@H]2CCOC2)nn1 899736051 UMZOXYKHMGYBEG-SNVBAGLBSA-N 263.301 0.484 0 50 CCAA CN(C)C(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)O 548196543 OAHHUQOZEOYISD-SNVBAGLBSA-N 276.296 0.830 0 50 CCAA O=C(CN1C[C@@H](O)C[C@H]1CO)Nc1ccc(Cl)cn1 186508857 ZQHLYQLOFYFKJB-UWVGGRQHSA-N 285.731 0.101 0 50 CCAA CCn1ncnc1CN1CCN(C(=O)c2ccoc2)CC1 170615843 JTRBMGSZJUDXDG-UHFFFAOYSA-N 289.339 0.849 0 50 CCAA Cc1nc(C)c(CNC(=O)[C@]2(C)CNCCO2)o1 638443850 VYACKFVTYNCZJQ-LBPRGKRZSA-N 253.302 0.286 0 50 CCAA C[C@@H]1CN(C(=O)CN[C@H]2CCCn3nccc32)C[C@@H](C)O1 640216512 BGWXEFSCIWOEHJ-UPJWGTAASA-N 292.383 0.943 0 50 CCAA CC1(C)C[C@H]1NC(=O)N1CC[C@H](n2cc(C(N)=O)nn2)C1 644329880 UBLFGJMMYFNGSS-WCBMZHEXSA-N 292.343 0.132 0 50 CCAA CCn1ncc(C)c1NC(=O)N1CCO[C@@H](C(=O)OC)C1 597050654 APFQZTLLRDWHRN-SNVBAGLBSA-N 296.327 0.617 0 50 CCAA Oc1cccnc1CN1CCOC[C@H]1c1nc[nH]n1 584847212 IBVLXARSBHWPPR-JTQLQIEISA-N 261.285 0.479 0 50 CCAA NC(=O)C1(O)CN(c2ncc(C(F)(F)F)cc2Cl)C1 585132766 UFKNYZMFDHQEHM-UHFFFAOYSA-N 295.648 0.790 0 50 CCAA Cc1nc(O)cc(CN(C)C[C@H](C)N2CCOCC2)n1 1529188772 CGXHBZGOVUMINQ-NSHDSACASA-N 280.372 0.643 0 50 CCAA CN1C(=O)C[C@H](Nc2ncncc2Br)C1=O 117235130 JIXHNCISZYIMEG-LURJTMIESA-N 285.101 0.408 0 50 CCAA CC(C)c1cc(C(=O)N[C@H]2CCOC[C@@H]2O)no1 629247806 YYYACKTXMMHCNV-WPRPVWTQSA-N 254.286 0.678 0 50 CCAA CN1C[C@]2(CCN(C(=O)c3nc(Cl)n(C)n3)C2)OC1=O 1857689289 MKAATXVVAKXGAP-NSHDSACASA-N 299.718 0.135 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCCCn2cc(Cl)cn2)C[C@H]1O 1857730721 ZKHXYGJWJVPRSH-JMJZKYOTSA-N 286.763 0.141 0 50 CCAA CCCN1C[C@H](C(=O)N2C[C@H](F)C[C@H]2CO)CC1=O 332662440 GGUZBOJVTGYCJX-MXWKQRLJSA-N 272.320 0.176 0 50 CCAA CC(=O)N1CC[C@@](C)(C(=O)NCc2c[nH]nc2C)C1 371831633 ZRMDGCJXJSRHTN-CYBMUJFWSA-N 264.329 0.593 0 50 CCAA CC(=O)NCCNC(=O)c1n[nH]nc1-c1ccccc1 206650914 WJBAPEKXDHNIAT-UHFFFAOYSA-N 273.296 0.338 0 50 CCAA Cc1c[nH]nc1C(=O)NC[C@@]12CNC[C@@]1(C(F)(F)F)C2 1857531823 SFSXAPCEAWKZCQ-MNOVXSKESA-N 288.273 0.990 0 50 CCAA C[C@H](NC(=O)CSc1nncn1N)c1ccccc1 5012117 FNJVAQMWGCVJGW-VIFPVBQESA-N 277.353 0.961 0 50 CCAA C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CCN1 237579097 WVNMXJMEYOYFOJ-VIFPVBQESA-N 275.308 0.451 0 50 CCAA Cc1cccnc1C(=O)N1CC2(CNC(=O)N2C)C1 1857701744 ZUHWYKPCZVSYDS-UHFFFAOYSA-N 260.297 0.240 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@H]1CCNC1 110797538 DUMLCSFJPSBVLL-LLVKDONJSA-N 286.401 0.315 0 50 CCAA CCNC(=O)NC(=O)CN1CCc2ccccc2CC1 116300505 BPZVCLUISIFMGK-UHFFFAOYSA-N 275.352 0.933 0 50 CCAA CNC[C@H]1CCCN1S(=O)(=O)c1c[nH]c2ncccc12 156603571 ZWHKORFYLHDLQC-SNVBAGLBSA-N 294.380 0.935 0 50 CCAA CN1CCC[C@H](CNc2nc(N)nc3[nH]ncc23)C1 32592886 PHFPAAUYKYJQFP-MRVPVSSYSA-N 261.333 0.689 0 50 CCAA Cc1noc(C)c1CC(=O)N1CC[C@@H]2CNC[C@@H]2C1 261658601 YWQUVEDUHFWSHT-VXGBXAGGSA-N 263.341 0.902 0 50 CCAA Cc1cc(C(=O)N(C2CC2)[C@@H](C)C(=O)O)nn1C 262588339 HEISZWKQQOUWSP-QMMMGPOBSA-N 251.286 0.806 0 50 CCAA O=C(O)C1(C(=O)Nc2cccc(-n3cnnn3)c2)CC1 263548654 VJEYEPQAYLWFOM-UHFFFAOYSA-N 273.252 0.466 0 50 CCAA O=S(=O)(N[C@H]1CCC[C@@H](CO)C1)N1CCCC1 310332880 ZFVAZKOYMFSJKI-MNOVXSKESA-N 262.375 0.468 0 50 CCAA Cc1cn2nc(C(=O)OCC3=NO[C@H](C)C3)cc2c(=O)[nH]1 2325790813 MZCOLYYDXRKBAG-MRVPVSSYSA-N 290.279 0.653 0 50 CCAA CCn1nnc(C)c1CN[C@H](Cc1cc[nH]n1)C(=O)O 2325829898 VPNWSVUQKUAQAB-SNVBAGLBSA-N 278.316 0.115 0 50 CCAA O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O 1724701 PYVHLZLQVWXBDZ-UHFFFAOYSA-N 276.292 0.397 0 50 CCAA in-vitro CC(=O)CC(=O)Nc1ccc(S(=O)(=O)O)cc1 2165026 GRLSWESXIFWOBF-UHFFFAOYSA-N 257.267 0.851 0 50 CCAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)cc1 2891159 QRYICECNBUINDF-SNVBAGLBSA-N 298.364 0.581 0 50 CCAA CN(C)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 4751433 PGGMUKOQMCQWRW-UHFFFAOYSA-N 286.353 0.298 0 50 CCAA NCCCCC[C@]1(c2ccco2)NC(=O)NC1=O 6658169 ISATXHUOALZJSP-GFCCVEGCSA-N 251.286 0.833 0 50 CCAA C[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2ccccc2)C1 115404051 QYZHCSDQTRLEDP-RYUDHWBXSA-N 290.367 0.828 0 50 CCAA COc1cc(C(=O)N2[C@H]3CC[C@@H]2CC(=O)N(C)C3)ccn1 67678451 DUNKLNDIFWXSCX-NEPJUHHUSA-N 289.335 0.926 0 50 CCAA O=C([C@@H]1COc2ccccc2O1)N1CCC(O)(CO)CC1 67851827 VZMAGHCOXQWLJV-ZDUSSCGKSA-N 293.319 0.172 0 50 CCAA CC(=O)NCC1=CCN(Cc2cc(=O)nc(C)[nH]2)CC1 65369775 KZOZNMUNBHBGIK-UHFFFAOYSA-N 276.340 0.347 0 50 CCAA COCCOc1cccc(C(=O)N[C@@H]2CC[C@H]2O)c1 425062476 TZPYBFAQEOOBRS-CHWSQXEVSA-N 265.309 0.965 0 50 CCAA O=C(O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 166316 UDDLQGMQPCGTPD-LBPRGKRZSA-N 283.349 0.413 0 50 CCAA in-vitro CCN(C)C(=O)CN[C@H]1CCCC[C@H]1n1cc(CO)nn1 328605680 OTQPVRMOFDAKNF-QWHCGFSZSA-N 295.387 0.322 0 50 CCAA CC(C)c1noc(CCCNC(=O)[C@H]2C[C@@H]2C(=O)O)n1 362485998 HXIKFTLRYDTFQY-IUCAKERBSA-N 281.312 0.963 0 50 CCAA Cc1ncc2c(c1CNC(=O)[C@@H]1COCCO1)CCNC2 72476540 ZUSICYPNPCTCKC-AWEZNQCLSA-N 291.351 0.067 0 50 CCAA O=C(C1Cc2ccccc2C1)N1CCN([C@H]2CCNC2)CC1 318837432 GDKZFFCNYFDTTG-KRWDZBQOSA-N 299.418 0.908 0 50 CCAA O=S(=O)(CC1CCC1)N[C@@H]1CCc2nnnn2CC1 333764225 DDGSOCYSSXDMAB-SNVBAGLBSA-N 285.373 0.098 0 50 CCAA C[C@@H](C[C@@H](C)O)NC(=O)c1cnc(N(C)C)cn1 334035642 GIXLQPUNRZIKBR-DTWKUNHWSA-N 252.318 0.432 0 50 CCAA Cc1cc(CN2CCN(C(=O)[C@@H]3CCC[C@H]3N)CC2)no1 237728363 CIHALRBHBGVISC-ZIAGYGMSSA-N 292.383 0.755 0 50 CCAA O=C(N[C@H]1CCCCNC1)N1CC[C@]2(CCCNC2)C1 334941081 OMBIEHICCDJNDJ-ZFWWWQNUSA-N 280.416 0.914 0 50 CCAA Cc1cc(C(=O)NCCSc2cn[nH]n2)n[nH]1 71757004 AEOKXOKXPZTETA-UHFFFAOYSA-N 252.303 0.358 0 50 CCAA OCCN=c1[nH]c([C@H]2CCOC2)cc(=NC2CCCC2)[nH]1 426697613 XRFGKNWSPHITKG-NSHDSACASA-N 292.383 0.583 0 50 CCAA COC(=O)CC[C@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@H]1O 43898781 RUDVTXZKYPJLFH-SAXRGWBVSA-N 266.293 0.802 0 50 CCAA in-vitro Cc1cc(=O)c(C(=O)NC[C@]2(C)CCCO2)c[nH]1 228305734 ROJRSWBVHZNJTN-ZDUSSCGKSA-N 250.298 0.982 0 50 CCAA CCN(C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)[C@H]1CC(=O)NC1=O 291415815 CSUKDBGDXPGYES-MMWGEVLESA-N 262.309 0.462 0 50 CCAA c1nc([C@H]2CCOC2)cc(=NCCN2CCOCC2)[nH]1 426503479 VEUGDKZGZWWONJ-LBPRGKRZSA-N 278.356 0.147 0 50 CCAA O=C(NCCn1ccnn1)[C@H]1COc2ccccc2C1 426534472 OQZXBMSPUSQYRX-GFCCVEGCSA-N 272.308 0.646 0 50 CCAA Cc1ccc(CNC(=O)N2CCNC(=O)[C@H]2CCO)cc1 426410444 GVIYJIUCNOFUPJ-CYBMUJFWSA-N 291.351 0.387 0 50 CCAA C[C@]1(O)CCN(CCC(=O)NCc2ccco2)C[C@@H]1O 96180298 OWCYDGDCJGTLQM-JSGCOSHPSA-N 282.340 0.104 0 50 CCAA Cc1ccccc1OC[C@@H](O)C(=O)NC1(C(=O)O)CCC1 426478037 PNKBPOVUINSBCO-LLVKDONJSA-N 293.319 0.858 0 50 CCAA Cc1ccc(CCC(=O)N2CCO[C@@H](C(=O)O)C2)o1 237676904 OECWZTCMHDQHIL-LLVKDONJSA-N 267.281 0.833 0 50 CCAA COc1cc(N2C[C@@H](C)[C@](O)(C3CC3)C2)nc(N)n1 91650119 HZXQCICVJGAQJS-OQPBUACISA-N 264.329 0.665 0 50 CCAA CN1C(=O)[C@@H]2N=C(Cc3ccccc3)N[C@@H]2N(C)C1=O 95495700 QOZZUTNLSJJWNT-VXGBXAGGSA-N 272.308 0.449 0 50 CCAA CCn1c(CN2CCC(CO)CC2)nnc1[C@H]1C[C@@H](N)C1 244795370 REYVIEFAMNLNKN-BETUJISGSA-N 293.415 0.707 0 50 CCAA CCN1CCCC[C@H]1CNS(=O)(=O)N1CCCC1 348241921 POSSZUFTTQHKQP-LBPRGKRZSA-N 275.418 0.791 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccnc(OC)c1 534651127 DHXKRSXNTWABPE-QWRGUYRKSA-N 266.297 0.624 0 50 CCAA CCN(CC)S(=O)(=O)NCc1cn(CC)nc1C 534636260 SWDNZWAURUQYCR-UHFFFAOYSA-N 274.390 0.888 0 50 CCAA COCCN1C[C@@H](c2ncnn2CC(C)(C)O)CCC1=O 824412396 NGJADGXKDMNUAJ-NSHDSACASA-N 296.371 0.401 0 50 CCAA CC(C)N1C[C@H](CNc2ccc(C(N)=O)cn2)CC1=O 821735044 COEFCVGABTUMAS-JTQLQIEISA-N 276.340 0.849 0 50 CCAA CN1CCN(C(=O)[C@@H]2CC(=O)OC23CCCCC3)CC1=O 584885566 HOSIOCCVTSATMA-NSHDSACASA-N 294.351 0.553 0 50 CCAA CN(CCN(C)S(=O)(=O)c1cn[nH]c1)C1CCCC1 823659071 YTMZSLHETFIQMR-UHFFFAOYSA-N 286.401 0.905 0 50 CCAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@H]1CC[C@@H](N)C1)C2 584885627 KXHNQLRIJMUUEJ-KIJLLGNVSA-N 252.358 0.997 0 50 CCAA CS(=O)(=O)NCCC(=O)NCCCC[C@@H]1CCCO1 670450254 UVKFDGLCSQPDPC-LLVKDONJSA-N 292.401 0.391 0 50 CCAA Cn1cncc1CNC(=O)c1cccc2ncnc(O)c12 1152266130 SZEBTSWTMCCXDL-UHFFFAOYSA-N 283.291 0.999 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2n[nH]c3ncccc23)CCO1 685943774 UXDUJRCZKZBZLR-MRVPVSSYSA-N 282.325 0.367 0 50 CCAA COCCNS(=O)(=O)c1ccc(OC)c(C)c1 1803050 BYNGTCJAURNRMG-UHFFFAOYSA-N 259.327 0.928 0 50 CCAA CCOc1cc(N2CC(N[C@@H]3CCOC3)C2)ncn1 952994325 ZOBGDJYACYPZKZ-SNVBAGLBSA-N 264.329 0.442 0 50 CCAA CN(C)C/C=C/C(=O)N[C@H](CO)[C@@H](O)C1CCCCC1 1875377076 RSVRIEBYCVRJOJ-CXGCFGFRSA-N 284.400 0.523 0 50 CCAA Cn1c(N2CC(CO)(c3ccccc3)C2)cc(O)nc1=O 1875295520 ZZJITFNNLFHHBI-UHFFFAOYSA-N 287.319 0.236 0 50 CCAA CN1C[C@@H](CNC(=O)c2cc(O)nc(C3CC3)n2)OC1=O 1875268688 FZWZQYHUNCAWAK-MRVPVSSYSA-N 292.295 0.240 0 50 CCAA C[C@@H](O)c1cn([C@@H]2CCCN(c3cnn(C)c3)C2=O)nn1 881299483 LSSNIKPEOAPWBJ-BXKDBHETSA-N 290.327 0.433 0 50 CCAA Cn1nccc1[C@H](N)C1(O)CN(C(=O)OC(C)(C)C)C1 958528653 RTQIDCMKVMUWFU-JTQLQIEISA-N 282.344 0.402 0 50 CCAA C[C@@H]1C(=O)NCCN1c1nc(N)cc(C(C)(C)C)n1 888097612 LBNFYXOLCDXDON-MRVPVSSYSA-N 263.345 0.681 0 50 CCAA CN1CCN(S(=O)(=O)Cc2ccccc2F)CC1 16577598 NUWINMBJZQIHJY-UHFFFAOYSA-N 272.345 0.903 0 50 CCAA Cn1cnc2c(N[C@H](CO)Cc3cncs3)ncnc21 894966319 PSAVBGGKHMQLJT-QMMMGPOBSA-N 290.352 0.835 0 50 CCAA O=c1c2c(Cl)cccc2ncn1[C@H]1CNC[C@@H]1O 1565530434 ATEAHFQHVSLSDH-UWVGGRQHSA-N 265.700 0.555 0 50 CCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1Nc1nc(N(C)C)ns1 1565510536 DYSUJQZUSCDFND-JXUBOQSCSA-N 297.384 0.308 0 50 CCAA CC1=NNC(=O)[C@H]1CCNC(=O)c1ccc(C(=O)O)nc1 1573690367 KKXBYFMNASBCBJ-VIFPVBQESA-N 290.279 0.022 0 50 CCAA C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)CCc1nn[nH]n1 633033394 RXGGIRPICZBDFB-MNOVXSKESA-N 278.360 0.218 0 50 CCAA CCOCCNC(=O)NC[C@H]1CCc2nccn2C1 275402163 SEABTGXTOSXPCA-LLVKDONJSA-N 266.345 0.781 0 50 CCAA CC(C)c1nnc(S)n1CCNC(=O)C1(O)CCC1 170599195 CIPGNFOPBDBCOI-UHFFFAOYSA-N 284.385 0.721 0 50 CCAA CCO[C@H]1C[C@@H](N(C)C(=O)Cn2nc(C)oc2=O)C1(C)C 639924572 JMVDPORRFFJRHF-MNOVXSKESA-N 297.355 0.807 0 50 CCAA Cc1c(C(=O)NC2(C3CC3)CC2)nnn1-c1cnn(C)c1 640647204 SGIWHJUGCXZGOS-UHFFFAOYSA-N 286.339 0.982 0 50 CCAA COC(=O)c1cncc(S(=O)(=O)NCc2ccno2)c1 562421359 XBCBISQNNBBFRD-UHFFFAOYSA-N 297.292 0.335 0 50 CCAA O=C(O)[C@@H]1N(S(=O)(=O)c2ccoc2)CC12CCC2 663286090 AJCAXIGIGOCBOC-VIFPVBQESA-N 271.294 0.907 0 50 CCAA O[C@@H](CNC1CSCCSC1)CN1CCCC1 1506420646 AUZXDPVALUITSE-LBPRGKRZSA-N 276.471 0.881 0 50 CCAA CC(=O)N1CCN(C(=O)c2cnc(C)[nH]2)[C@@H](C)C1 407997982 QDCGRFLHOBTTHR-QMMMGPOBSA-N 250.302 0.411 0 50 CCAA O=C(COCc1ccccc1)N[C@H]1CCOC[C@@H]1O 629228116 YYKSYCUXQNZGFW-STQMWFEESA-N 265.309 0.469 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)/C=C/c1ccc(C)o1 1615552269 SSFNNPAHCNAJMC-CYLBZQBVSA-N 250.298 0.704 0 50 CCAA O=C(C[C@@H](C(=O)O)N1CCOCC1)Nc1ccccc1 5041666 RZJSREQYVWXGQM-LBPRGKRZSA-N 278.308 0.801 0 50 CCAA C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@H]1CCc2nn[nH]c2C1 408033438 LZOAFWFLKODUEL-KXUCPTDWSA-N 291.355 0.022 0 50 CCAA CNC(=O)NCc1cn(C[C@@](C)(O)C(F)(F)F)nn1 900579226 ANVJNVMSGONIHJ-MRVPVSSYSA-N 281.238 0.020 0 50 CCAA COc1ncccc1CN1CCCC[C@@H]1CS(N)(=O)=O 931230767 MXIKKXSNGIXERN-GFCCVEGCSA-N 299.396 0.733 0 50 CCAA Cc1nc(C)c(C(=O)N2CCC([C@@H](O)CO)CC2)o1 1772701681 NQOAEWIUPKJUDR-NSHDSACASA-N 268.313 0.497 0 50 CCAA CO[C@H]1C[C@@H](CO)N(C(=O)[C@H]2CCCOCC2)C1 329042148 SZZWQGZVKNKEBT-SRVKXCTJSA-N 257.330 0.411 0 50 CCAA CO[C@H]1C[C@@H](CO)N(C(=O)COCc2ccccc2)C1 345225188 YKUMFRRCXVTEDI-KBPBESRZSA-N 279.336 0.811 0 50 CCAA CC(C)Cc1nc(CN2CCOC[C@@H](C(=O)O)C2)no1 704031770 DOXQFNCOKDYSRM-JTQLQIEISA-N 283.328 0.801 0 50 CCAA N[C@@H]1CCC[C@H](C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C1 372122039 SHTLJMBMVLNLMG-CRWXNKLISA-N 282.384 0.910 0 50 CCAA COc1nc(C(=O)N[C@H]2COc3ccccc3C2)nn1C 2100537962 YXPOIODIKGCFBP-SNVBAGLBSA-N 288.307 0.557 0 50 CCAA COC(=O)c1cc(=NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)[nH]n1C 2325761954 CIUNJDYUYJUURP-NQMVMOMDSA-N 279.296 0.135 0 50 CCAA CCC(=O)NC1CN(C(=O)[C@@H]2CC(CC)=NO2)C1 2325784799 KIMFHHWSSSZGBA-JTQLQIEISA-N 253.302 0.278 0 50 CCAA COCC1(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)COC1 2325811937 VYSFOQOXCFWNFX-NSHDSACASA-N 299.758 0.973 0 50 CCAA O=C(O)C[C@@H](C(=O)OCc1ccccc1)N1CCOCC1 4978139 VCXNECKKSLEGNN-ZDUSSCGKSA-N 293.319 0.905 0 50 CCAA CN1CCN2CCN(C/C=C/c3ccco3)C[C@H]2C1=O 107435388 LYQJSVUSBRVPPA-PMUGQKEBSA-N 275.352 0.751 0 50 CCAA CCN1C[C@H](NC(=O)COc2ccccc2O)CC1=O 67819210 OJLBBOTXCJOOSU-SNVBAGLBSA-N 278.308 0.508 0 50 CCAA CCC(O)(CC)CN1CCO[C@H](c2nncn2C)C1 328621781 AUMIWVRVCPITNQ-NSHDSACASA-N 268.361 0.740 0 50 CCAA Cc1cnn(CCC(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1 328668667 FGCHLKBPVKSYME-ZDUSSCGKSA-N 291.351 0.788 0 50 CCAA CCOc1ccccc1-n1c(Cc2nnn[nH]2)n[nH]c1=O 65506954 KHXNYWPAPDYLIW-UHFFFAOYSA-N 287.283 0.063 0 50 CCAA CCCn1cnnc1[C@@H](C)NC(=O)c1noc(C)c1CO 219221438 DRXSVSFSVUTWIM-MRVPVSSYSA-N 293.327 0.968 0 50 CCAA Cc1nc(=NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)o[nH]1 333426814 SWLLSTMXEXIEKP-SNVBAGLBSA-N 296.327 0.650 0 50 CCAA CCc1cncc(C(=O)N2C[C@H](OC)C[C@H]2CO)c1 284726174 CUWMBUAWPAYBFN-QWHCGFSZSA-N 264.325 0.866 0 50 CCAA COCC1(C(=O)N2CC(n3cc([C@H](C)O)nn3)C2)CCC1 370281487 ZXFPWULWCLHRNK-JTQLQIEISA-N 294.355 0.531 0 50 CCAA CCCn1cc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cn1 285474777 KTVLMTGWRZUQTD-MWLCHTKSSA-N 264.329 0.487 0 50 CCAA N[C@@H]1CCN(C(=O)c2ccccc2N2CCCC2)C[C@H]1O 82106549 BZJFMQPODXFTMW-UKRRQHHQSA-N 289.379 0.821 0 50 CCAA Cc1cc(O)nc(NCCNC(=O)NC2CCCCC2)n1 426537359 AENAKFQFDOVEGU-UHFFFAOYSA-N 293.371 1.534 0 50 CCAA COC[C@@H]1[C@@H](NC(=O)CCc2cc(O)no2)[C@@H]2CCO[C@@H]21 223545444 AASDNLQXGMYDNG-DJBIQUGXSA-N 296.323 0.479 0 50 CCAA COCC1(CNC(=O)c2nnc3nc(C)ccn23)CC1 426373646 QEFIONDQQNXZES-UHFFFAOYSA-N 275.312 0.589 0 50 CCAA CN(C)CCN(C)c1cc(C2CC(O)C2)ncn1 220667558 PGBLXGUFQBCYPA-UHFFFAOYSA-N 250.346 0.713 0 50 CCAA CN(CC(=O)NCc1cc(C2CC2)on1)C(N)=O 426662344 UHTSZIRVRGRWFT-UHFFFAOYSA-N 252.274 0.179 0 50 CCAA CN(C)c1nc(N[C@H]2C=CS(=O)(=O)C2)ncc1F 95356166 GKPUUUFQEJBLST-ZETCQYMHSA-N 272.305 0.404 0 50 CCAA CCN(CCn1cccn1)C(=O)[C@H]1CC(=O)N(C2CC2)C1 91651128 INZPHNCBNRWFCU-LBPRGKRZSA-N 290.367 0.743 0 50 CCAA Cc1cc(C)n(CCn2cc([C@@H]3CCOC3)nn2)c(=O)n1 91965096 QGVAEDIXXPWSTR-GFCCVEGCSA-N 289.339 0.656 0 50 CCAA CC[C@H](N)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 299749827 LUVHHPRUENYUPY-MNOVXSKESA-N 251.334 0.254 0 50 CCAA CCN1CCN(CC(=O)N[C@@H](C)c2ncc(C)[nH]2)CC1 534638582 DYBAUZMOEDDLQR-LBPRGKRZSA-N 279.388 0.533 0 50 CCAA CS(=O)(=O)Cc1ccc(N2CCCNCC2)nc1 534649333 SHPYYHDRLIBLTE-UHFFFAOYSA-N 269.370 0.426 0 50 CCAA Cc1csc(SCC(=O)NCCn2ccnn2)n1 534645895 RBSUAUCBOJULPR-UHFFFAOYSA-N 283.382 0.952 0 50 CCAA C[C@@H](CN1CCN(C)CC1)NCCc1ncc[nH]1 534670156 AZGKQFHHNVFHQI-LBPRGKRZSA-N 251.378 0.178 0 50 CCAA CN1CCN(C2(CNC(=O)C3(C)COC3)CCCC2)CC1 534675273 FHFMZBMGCPTLCI-UHFFFAOYSA-N 295.427 0.699 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)c1ccc(N)nc1 827561383 LAPWUIPDOBCKEK-UHFFFAOYSA-N 271.324 0.631 0 50 CCAA COC(=O)c1cncc(NC(=O)C(C)(C)C(=O)O)c1 585134956 QQHYDOIJKDOCNG-UHFFFAOYSA-N 266.253 0.918 0 50 CCAA Cc1csc(S(=O)(=O)NCC[C@@H](O)CO)c1 584892889 BRZQOYSGQJRBJD-MRVPVSSYSA-N 265.356 0.078 0 50 CCAA C[C@@H](CO)NCc1nncn1CCc1ccccc1 828671292 YJSWLKYNMRYPAD-LBPRGKRZSA-N 260.341 0.991 0 50 CCAA COC(=O)CC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O 584888017 KIEYKSSUIOSDLX-NWDGAFQWSA-N 290.319 0.166 0 50 CCAA Cc1ccc(O)cc1C(=O)NC[C@@](C)(O)CCCO 584889781 PQDOCJXSSXKCGB-AWEZNQCLSA-N 267.325 0.954 0 50 CCAA CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1CCN 1875269025 XBXLOVQJVRBLOX-LLVKDONJSA-N 265.361 0.597 0 50 CCAA O=C(c1ccc2oc(O)nc2c1)N1C[C@H]2[C@@H](O)C[C@H]2C1 1875268100 URNNTANWGLEQKP-NGZCFLSTSA-N 274.276 0.986 0 50 CCAA O=C(c1cnc2[nH]c(O)nc2c1)N1[C@H]2CC[C@@H]1C[C@H]2CO 1875308069 RMCJTXMCTDHOHR-NGZCFLSTSA-N 288.307 0.649 0 50 CCAA C[C@H](O)CN(C)C(=O)C[C@H]1NC(=O)c2ccccc21 897308903 OHSGBMCBJACPFE-JOYOIKCWSA-N 262.309 0.700 0 50 CCAA COc1nccc(CNC[C@@]2(O)CCN(C)C2)c1F 893607573 YATMEGBSFVLFLA-ZDUSSCGKSA-N 269.320 0.386 0 50 CCAA C[C@@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1C)[C@H]1C[C@H]2CC[C@H]1C2 1775985185 XFRUIFKUJXGGGI-YJIVIRPOSA-N 294.395 0.765 0 50 CCAA Cc1ccc(NC(=O)[C@]23CNC[C@H]2CCOC3)nc1 1521408116 HQEUSRUAUVAGDE-RISCZKNCSA-N 261.325 0.955 0 50 CCAA O=C(CC1CCSCC1)N1CCS(=O)(=O)CCO1 1775328218 DDIPFVJOXWDMEY-UHFFFAOYSA-N 293.410 0.708 0 50 CCAA C[C@@]1(C(=O)NCCC(F)(F)F)CCCNC1=O 408370696 OKHNKOZSZGWHFL-SECBINFHSA-N 252.236 0.971 0 50 CCAA C[C@H]1CN(c2ncnc3c2nnn3C)C[C@H](C2CC2)O1 408523319 IQSSXBYTYFSFGF-WCBMZHEXSA-N 274.328 0.762 0 50 CCAA C[C@@H]1CCCN(C(=O)C(=O)N(C)CC(=O)NC(C)(C)C)C1 170597755 QESJGNIWYRGDHD-LLVKDONJSA-N 297.399 0.618 0 50 CCAA CCOc1cnc(C(=O)N2CC[C@H](N(C)C)C2)cn1 189111428 JPAGMSJSNDHFKC-JTQLQIEISA-N 264.329 0.651 0 50 CCAA CCCc1nc(Cn2cc(CNC(N)=O)nn2)cs1 640931012 LMNHADPKGGOJNH-UHFFFAOYSA-N 280.357 0.904 0 50 CCAA Cc1nc(C)c(C)c(N2CC[C@@](O)(c3cnn[nH]3)C2)n1 583616655 VJHNHTDPROVXNU-ZDUSSCGKSA-N 274.328 0.618 0 50 CCAA CCc1cc(N2CCN3C(=O)OC[C@@H]3C2)nc(N(C)C)n1 1704331092 KMYBEAFYSLNTRY-NSHDSACASA-N 291.355 0.746 0 50 CCAA CCC[C@]1(C(=O)O)CCN(c2ncc(C)c(N)n2)C[C@@H]1O 1704313827 KGIFEANRLCUFPN-HZMBPMFUSA-N 294.355 0.809 0 50 CCAA CC(=O)NCCn1nnnc1N(C)Cc1cccc(F)c1 1616031799 BEJIUALNTOJHTQ-UHFFFAOYSA-N 292.318 0.585 0 50 CCAA CO[C@H]1CCNC[C@H]1NC(=O)/C=C/c1cc(CO)cs1 1616158621 TVCYQRNNDZUWHB-XDYXTIEYSA-N 296.392 0.747 0 50 CCAA O=C1C[C@@]2(CCN(C(=O)CC3=CCCC3)C2)C(=O)N1 1857691375 INLQZGQSWUBQHV-CQSZACIVSA-N 262.309 0.752 0 50 CCAA CN(C)S(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1 619754 OHPWSVGEFNAHAQ-UHFFFAOYSA-N 297.380 0.251 0 50 CCAA COc1ccc(/C=c2\sc3n(c2=O)CCN=3)c(OC)c1 16692874 IZTFVRBABYDHJX-GHXNOFRVSA-N 290.344 0.389 0 50 CCAA CC(C)C[C@@H](CC(=O)O)NC(=O)c1cnc(O)cn1 223418810 IHRRRONQCMVQSG-QMMMGPOBSA-N 267.285 0.801 0 50 CCAA CN1CC[C@H](O)[C@H](C(=O)NCc2ccc(F)cc2)C1 2100477199 OEINDOHCRAWXKE-OLZOCXBDSA-N 266.316 0.755 0 50 CCAA COc1nccc(=Nc2ncc(C)c(N(C)C)n2)[nH]1 2100483579 GACPOHRRALXFOH-UHFFFAOYSA-N 260.301 0.815 0 50 CCAA COCC[C@@H]1COCCN1Cc1nnc2cccnn12 2325803725 YDWRHMHHZMABMA-LLVKDONJSA-N 277.328 0.362 0 50 CCAA COc1ccc(S(=O)(=O)N(C)CC(=O)O)cc1OC 4294742 FISVAMPRDNXLBH-UHFFFAOYSA-N 289.309 0.409 0 50 CCAA NCCCC1OCC2(CO1)COC(CCCN)OC2 4977046 ANOPCGQVRXJHHD-UHFFFAOYSA-N 274.361 0.196 0 50 CCAA Cc1ccn2ncc(C(=O)NCc3ccn(C)n3)c2n1 345945224 GGQQIOLTCKCGEN-UHFFFAOYSA-N 270.296 0.701 0 50 CCAA CSCC[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100874859 HIWBZTSNLZFSAZ-HHKYUTTNSA-N 295.360 1.000 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NCCN(C)S(C)(=O)=O)n1 67769866 PCIOJGFPCGUWPE-LLVKDONJSA-N 288.417 0.369 0 50 CCAA O=C(COC[C@H]1CCCCO1)N1CCc2[nH]ncc2C1 20865230 MWGGTOISNMTPNM-GFCCVEGCSA-N 279.340 0.880 0 50 CCAA COc1cnc(NC(=O)NC[C@@H](C)CCO)nc1 252510916 ZRHHXTLFUFHVIQ-QMMMGPOBSA-N 254.290 0.625 0 50 CCAA Cc1nc(N(C)C)[nH]c(=N[C@@H]2CC(=O)N3CCCC[C@@H]23)n1 328805060 NBPWYEVMTMPCOC-MNOVXSKESA-N 290.371 0.233 0 50 CCAA NC(=O)c1nccnc1C(=O)N1CCC[C@@H]1CF 359569303 YLKBKKXUQXTIJQ-SSDOTTSWSA-N 252.249 0.150 0 50 CCAA COC(=O)c1cnc(NC[C@@H](C)c2nncn2C)nc1 253415508 MXTYWHYPSFSFOY-MRVPVSSYSA-N 276.300 0.607 0 50 CCAA Cc1cc(N2CCS(=O)(=O)CC2)n2nc(C)c(C)c2n1 72409013 FUAPNURVOKXAQG-UHFFFAOYSA-N 294.380 0.889 0 50 CCAA CC[C@H](CN1C(=O)NC2(CCNCC2)C1=O)n1cccn1 77321595 NEGRNNWYRNTRCU-LLVKDONJSA-N 291.355 0.508 0 50 CCAA C[C@@H](NC(=O)C(=O)O)C1(N2CCOCC2)CCCC1 364045421 LUUSQCPJZBPORU-SNVBAGLBSA-N 270.329 0.221 0 50 CCAA CCc1cc(N(C)CC(N)=O)n2nc(C)c(C)c2n1 72480364 DPXVYUQUSNPLFJ-UHFFFAOYSA-N 261.329 0.830 0 50 CCAA C[C@H](Sc1ccccn1)C(=O)NCc1nc(=O)[nH][nH]1 216188099 GSIRVBCQAVYYBN-ZETCQYMHSA-N 279.325 0.290 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(C2CC2)C1 334310550 OZWJLCCGJDCFQV-NWDGAFQWSA-N 266.341 0.982 0 50 CCAA O=C(CN1CCc2ccccc2C1)N1CCOC[C@H](O)C1 77516239 ACGOACISUFTDSB-OAHLLOKOSA-N 290.363 0.264 0 50 CCAA Cc1cc(CNC(=O)CN(C)C2CCN(C)CC2)no1 218832945 JUIHNLIBAQKMGM-UHFFFAOYSA-N 280.372 0.625 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)c1cncn1C 223908521 TWZBCVFJTLJPFL-MWLCHTKSSA-N 253.302 0.344 0 50 CCAA COc1ccc(CCNC(=O)N2CC[C@@H](N)C2)c(OC)c1 417346380 ZEZZIBFPGSMUAW-GFCCVEGCSA-N 293.367 0.989 0 50 CCAA CC(C)c1noc(CCNC(=O)c2cccc(=O)[nH]2)n1 221317613 RVXXYHYVDPLTEQ-UHFFFAOYSA-N 276.296 0.854 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)[C@@H](C)n1cccn1 426690236 GKLXUPXOYILSEP-GFCCVEGCSA-N 273.340 0.798 0 50 CCAA C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N(C)C 529864822 XEGUBNUEHYWPTC-PWSUYJOCSA-N 278.356 0.668 0 50 CCAA CS(=O)(=O)NC(=O)c1cnc(-c2ccccn2)s1 136013196 OEFHWFDZHAHSSA-UHFFFAOYSA-N 283.334 0.895 0 50 CCAA COCCn1cnnc1CCNC(=O)c1c(C)noc1C 220128924 HZMDTLMKXICOGG-UHFFFAOYSA-N 293.327 0.502 0 50 CCAA CS(=O)(=O)NC1=NCN(C2CCCCC2)CN1 40387204 JOYXKCXRGSMTGD-UHFFFAOYSA-N 260.363 0.045 0 50 CCAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCNC[C@H]1C 178495286 BXPYGDYVZCVJOW-SECBINFHSA-N 289.339 0.817 0 50 CCAA Cc1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)cnc1C 97634983 GPSSQDKSCKKVTH-LLVKDONJSA-N 266.322 0.739 0 50 CCAA CCC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C(=O)O 91807004 UOXGORKLAKQVFB-RKDXNWHRSA-N 279.296 0.343 0 50 CCAA CN(C)CC(C)(C)c1nc2c([nH]1)CCCNC2=O 95376345 ZAJYTOGFNKBZSB-UHFFFAOYSA-N 250.346 0.925 0 50 CCAA O[C@@H]1[C@H]2O[C@@H]3O[C@@H]([C@@H]2OCc2ccccc2)[C@@]2(CO2)[C@@H]1O3 257357365 NSMIJPILAKVWIL-WLUGHSLGSA-N 292.287 0.182 0 50 CCAA O=C(c1ccc2nn[nH]c2c1)N1CCN2C(=O)OC[C@H]2C1 378155170 YCEBEYFADMQJOO-SECBINFHSA-N 287.279 0.235 0 50 CCAA N[C@@H](CO)C(=O)NC1(c2cc(F)cc(F)c2)CC1 299784842 HVXXVKOLFRQVIS-JTQLQIEISA-N 256.252 0.390 0 50 CCAA CC(C)[C@@H](NC(=O)c1cn(C)cn1)c1ncnn1C 299760531 VVROTQNWLZCBHF-SNVBAGLBSA-N 262.317 0.676 0 50 CCAA CC(C)CN1C[C@H](C(=O)NCCc2cc[nH]n2)CCC1=O 299793518 HGMUKESVTSHFFP-GFCCVEGCSA-N 292.383 0.963 0 50 CCAA O=C(CN1CCC[C@H](O)C1)NCc1cn2ccsc2n1 299763530 OINNXUKCBRAWCE-NSHDSACASA-N 294.380 0.469 0 50 CCAA C[C@H](Cn1cccn1)C(=O)NCCCn1cccn1 820631953 GLUQNKOBMNNSCW-GFCCVEGCSA-N 261.329 0.922 0 50 CCAA O=C(N[C@H]1C[C@@H](c2cc(O)ncn2)C1)c1ncccc1O 828401259 YWUIQSPLTIGXQQ-DTORHVGOSA-N 286.291 0.959 0 50 CCAA COc1cccc(OCC(=O)N2CCOC[C@H]2C(=O)O)c1 268988214 RDCGOPOADIGJKM-LBPRGKRZSA-N 295.291 0.386 0 50 CCAA C[C@H](CN1CCOCC1)Nc1nnc2ccccn12 821903040 UUWSBSPXFHQBJP-LLVKDONJSA-N 261.329 0.862 0 50 CCAA CN(CC1(CO)CCCC1)c1cncc(C(N)=O)n1 670455805 CASITGBEPLYESG-UHFFFAOYSA-N 264.329 0.564 0 50 CCAA CNC(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)O)C2)c1 165498496 BTDLWTFXPAFYCU-LBPRGKRZSA-N 290.319 0.983 0 50 CCAA O=[S@@](Cc1ccc2cccnc2c1)C[C@@H](O)CO 1875279252 JTGDPASPHJOZEY-SGTLLEGYSA-N 265.334 0.837 0 50 CCAA Cc1cccn2c(=O)cc(N3CC(=O)N(C)C[C@@H]3C)nc12 1875305681 YAMMDIKNPNMHPQ-NSHDSACASA-N 286.335 0.670 0 50 CCAA CCS(=O)(=O)NCC(=O)N1CC[C@H](C(F)(F)F)C1 888013423 HQRCHKZGHDAYBG-ZETCQYMHSA-N 288.291 0.337 0 50 CCAA CCn1ncc(CN2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)n1 888078315 IWXSIAVANPHXBQ-WCQYABFASA-N 291.359 0.041 0 50 CCAA O=C(COc1ccc(F)cc1)N1CC(N[C@H]2CCOC2)C1 1412711343 WJPRCXMMRAJSBI-LBPRGKRZSA-N 294.326 0.794 0 50 CCAA CCNC(=O)CNC(=O)C(C)(C)Nc1ccccn1 1775999712 VCKLEFVYBRUHFX-UHFFFAOYSA-N 264.329 0.524 0 50 CCAA COCC(=O)N1CC[C@H](Nc2nc(C)cc(C)n2)[C@@H](O)C1 1565510369 GEYSXHWXTALHJA-RYUDHWBXSA-N 294.355 0.114 0 50 CCAA Cc1cc(F)ccc1CC(=O)N[C@H]1CCOC[C@@H]1O 1565510457 FGNGZVJXBSLNRX-STQMWFEESA-N 267.300 0.943 0 50 CCAA CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CCc1nn[nH]n1 631674390 IYXORVBJQQBFOZ-VXGBXAGGSA-N 292.387 0.608 0 50 CCAA C[C@H](O)[C@H]1CN(C(=O)Cc2cnn3c2CCCC3)CCO1 633447748 ZNQRKKZBAWMNSK-SMDDNHRTSA-N 293.367 0.370 0 50 CCAA COCCn1ccc(NC(=O)[C@@H]2CCCOC2)n1 170801092 RPYRIEPHSNMSPH-SNVBAGLBSA-N 253.302 0.895 0 50 CCAA CC(C)COC[C@@H](O)CN1C(=O)NC2(CCC2)C1=O 171127141 PLZGDSNSFPDIME-JTQLQIEISA-N 270.329 0.494 0 50 CCAA CCn1ncc2ncn(CC(=O)NC3CCCC3)c(=O)c21 585118385 MKZWXMBBIFARNE-UHFFFAOYSA-N 289.339 0.672 0 50 CCAA C[C@@H]1CC[C@@H](Cn2nnn(-c3ccccc3)c2=O)O1 190618610 GCCARBUVJDIBAS-PWSUYJOCSA-N 260.297 0.997 0 50 CCAA Cc1nnc2n1C[C@H](C(=O)N1CCC=C(F)C1)N(C)C2 644407906 JIPUOGSVCZIIFI-LLVKDONJSA-N 279.319 0.486 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cnco2)[C@H]2CCO[C@H]21 1074595537 HRNAREVCLINOJM-YKDSUIRESA-N 252.270 0.454 0 50 CCAA O[C@H]1CCCN(c2ccnc(N3CCSCC3)n2)C1 1529101356 FSBHBXFXCXEAMM-NSHDSACASA-N 280.397 0.991 0 50 CCAA CCNC(=O)c1ccc(NCCS(=O)(=O)CC)nc1 1704300551 YQJQDZOJUTVMBF-UHFFFAOYSA-N 285.369 0.678 0 50 CCAA COC(=O)C1(C(=O)N2CC[C@H](C)[C@@H](OC)C2)CC1 342523420 URGCLBMZQPMJJW-UWVGGRQHSA-N 255.314 0.823 0 50 CCAA O=C(Cc1cccc2nsnc12)NC1(C(=O)O)CC1 1608367701 WPUUPROGOWMKRM-UHFFFAOYSA-N 277.305 0.967 0 50 CCAA COCCS(=O)(=O)N[C@@H]1CCc2ncccc2C1 1615586113 QGFOEDLNGFTZHC-LLVKDONJSA-N 270.354 0.505 0 50 CCAA COCC[C@@H](CO)NC(=O)C[C@@H](NC1CC1)C(F)(F)F 1615548869 IEHYHXKQDREQLA-VHSXEESVSA-N 298.305 0.573 0 50 CCAA Cc1c[nH]nc1CNC[C@@H]1CN(C2CC2)CCO1 368001266 XYRRKWPPPWVZHP-GFCCVEGCSA-N 250.346 0.671 0 50 CCAA CN1C[C@@H](CN2CCC3(CCC(=O)NC3)CC2)CCC1=O 1775984177 IWXBEVGUOCPMDY-ZDUSSCGKSA-N 293.411 0.847 0 50 CCAA CCCCOC[C@H](O)CN1CCN(C(C)=O)CC1 19812012 AHGIYOMXVURRRU-CYBMUJFWSA-N 258.362 0.328 0 50 CCAA Cc1c(C(F)(F)F)n[nH]c1C(=O)N1CCO[C@@H](CN)C1 1648979166 DWXMRYDMMYGPFN-ZETCQYMHSA-N 292.261 0.537 0 50 CCAA Cc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)c(O)n1 1857734381 QVMCGDAMCULCKX-SRVKXCTJSA-N 291.351 0.687 0 50 CCAA N[C@@H]1C[C@@H](C(=O)NCCc2cccc(F)c2)CC[C@H]1O 1857736332 PGOGLONLJDGVGE-IACUBPJLSA-N 280.343 0.973 0 50 CCAA CN(C)c1cccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1 562297077 PVJRSZFICCRIQR-OCCSQVGLSA-N 278.352 0.568 0 50 CCAA COc1cncc(N2CCN(Cc3nncn3C)CC2)c1 931209827 BSQCRTHRCIVAPJ-UHFFFAOYSA-N 288.355 0.541 0 50 CCAA Cc1cccc(CN2CC[C@@H](O)C[C@H]2C(=O)O)n1 247851636 ARPKTMPXZFKAEP-NEPJUHHUSA-N 250.298 0.800 0 50 CCAA COC(C)(C)C[C@H](C)NCc1noc(C(N)=O)n1 534665979 UOVDMGUBNDFBNW-ZETCQYMHSA-N 256.306 0.462 0 50 CCAA CC(C)Cc1nc(CN2CCOC[C@H](C(=O)O)C2)no1 704031774 DOXQFNCOKDYSRM-SNVBAGLBSA-N 283.328 0.801 0 50 CCAA CCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 382517 XMFCQJKXFRMAOX-UHFFFAOYSA-N 256.327 0.832 0 50 CCAA CCS(=O)(=O)NC1CCC(NS(=O)(=O)CC)CC1 2748370 OQWIIDWVKVBNFS-UHFFFAOYSA-N 298.430 0.176 0 50 CCAA COC[C@@H]1CN(C(=O)CC(C)(C)O)CC(C)(C)O1 343749233 AGEOMWQUCDEFEF-JTQLQIEISA-N 259.346 0.800 0 50 CCAA Cc1n[nH]nc1C(=O)OCC(=O)N(C)Cc1cccs1 225736081 ARWGMSUWRUICMF-UHFFFAOYSA-N 294.336 0.990 0 50 CCAA CN1[C@H]2CC[C@H]1CC(OC(=O)CN1CCOCC1)C2 100984220 FOQKNDOXAGKDAY-RYUDHWBXSA-N 268.357 0.487 0 50 CCAA CCN(CCCN(C)C)S(=O)(=O)N1CCC[C@H]1C 248674166 WMQGPOQAKCGSRB-GFCCVEGCSA-N 277.434 0.989 0 50 CCAA O=C(O)C[C@H]1CN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)CCO1 251097990 JNSFGLXBPMHOSS-UXCLJVHYSA-N 253.298 0.735 0 50 CCAA O=C(c1cnn2ncccc12)N1CCOC[C@]12CCOC2 328618186 UVPGJHZTMCIZBD-CQSZACIVSA-N 288.307 0.361 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cnn2cccnc12 282228030 UWBMMKIIAGIONJ-PSASIEDQSA-N 273.296 0.126 0 50 CCAA CNC(=O)C1(C(=O)N2CC[C@H](Oc3cccnc3)C2)CC1 123106203 IUKQRSYMFUZYNY-LBPRGKRZSA-N 289.335 0.588 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 329685466 UTANGGMIBGWSDO-YNEHKIRRSA-N 278.356 0.942 0 50 CCAA CN1C(=O)[C@H](CC(=O)NCC2=CCCCC2)N(C)C1=O 71661225 WODAFEXGLOKEIX-NSHDSACASA-N 279.340 0.886 0 50 CCAA Cn1cncc1C(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O 330173214 HDSNZOZGJJXQBC-ZYHUDNBSSA-N 277.324 0.630 0 50 CCAA COCC1(C(=O)Nc2ccn(C)n2)CCNCC1 234694180 MSLMAKLYZFZWSL-UHFFFAOYSA-N 252.318 0.375 0 50 CCAA CNC(=O)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 155761512 WTGOUSXHRIWATL-AWEZNQCLSA-N 283.416 0.947 0 50 CCAA O=C(CN1CCCC1)NCCc1nc(C2CC2)no1 216121418 UNZDFUMGHPMMOB-UHFFFAOYSA-N 264.329 0.702 0 50 CCAA CNC(=O)Cc1noc(-c2ccc3c(c2)CCNCC3)n1 261802194 PFFKDFLAZNJIIH-UHFFFAOYSA-N 286.335 0.713 0 50 CCAA CCN1Cc2nc(OC)c(CN[C@H](C)CCO)cc2C1=O 71760782 NJRIPNRCVIDACP-SNVBAGLBSA-N 293.367 0.926 0 50 CCAA Cc1noc(C2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)n1 262659295 UBYMNEGJQHVWHR-ZJUUUORDSA-N 279.296 0.805 0 50 CCAA Cc1cc(C(=O)N(C)[C@H]2CCNC2)c2cnn(C)c2n1 179063808 XPGDOWCHJXSYLZ-JTQLQIEISA-N 273.340 0.711 0 50 CCAA Cc1cc(C)nc(CCNC(=O)[C@H](C)N(C)C)n1 426405750 QFEFHIBUTSAIJZ-NSHDSACASA-N 250.346 0.702 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CCNC[C@H]1C 426478909 LDMOGALQIAQBKK-SNVBAGLBSA-N 272.374 0.446 0 50 CCAA CSCCCN=c1cc([C@H]2CCOC2)nc(N)[nH]1 426470887 OYBXNFGLTYALNE-VIFPVBQESA-N 268.386 1.150 0 50 CCAA CCc1nnc(CNC(=O)[C@H]2CCC(=O)N(CC)C2)s1 91656401 DMTKGOZLLWOPBQ-VIFPVBQESA-N 296.396 0.975 0 50 CCAA C[C@@H]1CN(C(=O)CCc2cnn(C)c2)CC[C@]1(C)O 91452137 RBSDAKSCYUENAC-RISCZKNCSA-N 265.357 0.972 0 50 CCAA COC(=O)c1cc(C(=O)OC)nc(C(=O)OC)c1 96544533 RJRVGJDUSQEIGG-UHFFFAOYSA-N 253.210 0.441 0 50 CCAA CCC[C@H]1CN(CCCO)C[C@@H]1NC(=O)c1cccnn1 91487121 RHEZWIKPSPCXBF-JSGCOSHPSA-N 292.383 0.689 0 50 CCAA Cn1cccc1-c1cc(C(=O)N2[C@H]3CC[C@@H]2CNC3)n[nH]1 91602800 MWSYWFDUGWXSMG-PHIMTYICSA-N 285.351 0.992 0 50 CCAA CN1CCCN(c2cc([C@H]3C[C@@H](N)C3)nc(N)n2)CC1 244899680 ZNXAWKQBXANVOW-PHIMTYICSA-N 276.388 0.405 0 50 CCAA CC[C@@H](NS(=O)(=O)c1ccnn1CC)[C@H]1C[C@H](O)C1 252571019 XOHKDZWRBHAOAA-GMTAPVOTSA-N 287.385 0.731 0 50 CCAA CCCCN1CCOC[C@H]1C(=O)NCc1ccnc(C)n1 184293551 NCVDPBIBBFDIJW-AWEZNQCLSA-N 292.383 0.902 0 50 CCAA CC(C)[C@H](C(=O)NCCC(=O)O)N1C[C@@H](C)O[C@H](C)C1 299748606 HQZMNIJYSIZXDC-NQBHXWOUSA-N 286.372 0.711 0 50 CCAA N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 299738570 CGLXYUOAHSHVAI-RWMBFGLXSA-N 277.372 0.644 0 50 CCAA CCn1nccc1S(=O)(=O)NCC[C@@H]1CCCCN1 534639474 CHSRIVRVEMZYRQ-NSHDSACASA-N 286.401 0.714 0 50 CCAA CNc1ncc(C(=O)N2CCC(c3cc[nH]n3)CC2)cn1 584902711 IEALPJWWSYOUBG-UHFFFAOYSA-N 286.339 1.261 0 50 CCAA CCS(=O)(=O)NC[C@H](c1ccccn1)N1CCOCC1 823412708 KBKFNKIDMYQZOB-CYBMUJFWSA-N 299.396 0.394 0 50 CCAA Cc1[nH]nc(C(=O)N(C)Cc2nncn2C)c1Cl 584884619 NRPXCJTWWGVUNK-UHFFFAOYSA-N 268.708 0.772 0 50 CCAA Cc1nn(C(C)C)c(C)c1CNC(=O)[C@H](C)n1cnnn1 584886921 ZBJQSJLDJBEZDC-NSHDSACASA-N 291.359 0.945 0 50 CCAA N[C@@H]1CCN(c2cccc(CNC(=O)c3cc[nH]n3)n2)C1 864318540 RUMQHINMGXJMOQ-SNVBAGLBSA-N 286.339 0.272 0 50 CCAA CCc1noc(CCN[C@@H](C)CS(C)(=O)=O)n1 584897742 TVCSSYINVBLUNL-QMMMGPOBSA-N 261.347 0.197 0 50 CCAA O=C1CN(C(=O)CCC(=O)N2CCCCCC2)CCCN1 584897267 KWRFPYVNRFFOEV-UHFFFAOYSA-N 295.383 0.518 0 50 CCAA N[C@H](CO)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 888095980 MVEGLMGXESATIH-GFCCVEGCSA-N 283.759 0.308 0 50 CCAA Cc1nsc(N2C[C@H](C(N)=O)[C@@H](C(F)(F)F)C2)n1 894244533 SRSTVNPCNMHESE-WDSKDSINSA-N 280.275 0.947 0 50 CCAA CNc1cc(N2CCC[C@@H](n3ccnn3)C2)ncn1 894271734 LLOHIZJQWJFXIT-SNVBAGLBSA-N 259.317 0.951 0 50 CCAA CCc1ccc(CN2CCOC[C@@H]2C(=O)O)nc1 244605604 FBQUXRYYVMHELW-GFCCVEGCSA-N 250.298 0.929 0 50 CCAA O=C1N[C@H](Cc2cnc[nH]2)C(=O)N[C@H]1C1CCCCCC1 1775987216 XFUJUKPGAJGCEQ-OLZOCXBDSA-N 290.367 0.906 0 50 CCAA Cc1cccc2sc(N3CC(NS(N)(=O)=O)C3)nc12 894745833 RRBOMFGNBOYKAN-UHFFFAOYSA-N 298.393 0.586 0 50 CCAA Cc1cccc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)n1 1594404413 TXPGDVVPOJUWPV-BXUZGUMPSA-N 262.309 0.923 0 50 CCAA O[C@H]1CN(Cc2cccnc2)CC[C@@H]1NC1CCOCC1 1565525716 SHHZOMBQRRVRKH-HOTGVXAUSA-N 291.395 0.785 0 50 CCAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cc[nH]n1)C2 1565512213 FYKJEMSRRXSHQG-RYUDHWBXSA-N 278.356 0.593 0 50 CCAA COc1cc(C)ccc1OCCN1C[C@H](CO)[C@@H](CO)C1 1565526075 BASKHSVQQNAFAU-ZIAGYGMSSA-N 295.379 0.915 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(C(=O)[C@H](O)c3ccccc3)C[C@H]21 217174286 PSJFTILHNGGMAR-NOOOWODRSA-N 261.277 0.509 0 50 CCAA CC(C)[C@@](C)(O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 408299911 FIDWYDOEGGGBDC-GXSJLCMTSA-N 263.359 0.039 0 50 CCAA O=C(NS(=O)(=O)c1cccs1)[C@H]1C[C@]12CCOC2 408476126 JSBPQZPAOKGPHZ-KCJUWKMLSA-N 287.362 0.980 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@]2(CC(=O)O)CCOC2)o1 584588850 HKMRTFRALQZKBL-LLVKDONJSA-N 289.309 0.500 0 50 CCAA Cc1nc(CN2CCN(C(=O)C(=O)O)CC2)cs1 170596102 HPPLEPIGMSRFRY-UHFFFAOYSA-N 269.326 0.180 0 50 CCAA Cc1noc(C)c1CNC(=O)c1ccc2c(c1)B(O)OC2 584934790 WDLKITBVWFVZMF-UHFFFAOYSA-N 286.096 0.439 0 50 CCAA CNc1nc(C)cc(C(=O)NC[C@@H]2CCCO2)n1 280870371 YHYMVMCZJZTACW-VIFPVBQESA-N 250.302 0.736 0 50 CCAA NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](c2cccnc2)C1 567964367 MKJVKUZPBZTYOS-OLZOCXBDSA-N 288.351 0.941 0 50 CCAA Cc1cc(C)n(CCNC(=O)C2CC=CC2)c(=O)n1 1857682231 HAWNGROQXPQSCS-UHFFFAOYSA-N 261.325 0.943 0 50 CCAA O=C(NCC(F)(F)F)N1CCCS(=O)(=O)CC1 217904110 IZFOOSKNJZFEBR-UHFFFAOYSA-N 274.264 0.379 0 50 CCAA COCC1(NC(=O)c2cnc(C(=O)O)cn2)CC1 647162172 CKPDGVMQEWOERA-UHFFFAOYSA-N 251.242 0.084 0 50 CCAA CCC[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1C(=O)O 1616102241 AWVLNFVYVWIONV-QWRGUYRKSA-N 280.328 0.628 0 50 CCAA CC1(C)COC(=O)[C@](C)([C@]2(C)NC(C)(C)COC2=O)N1 19364708 SXTIZAYCEOYVKM-ZIAGYGMSSA-N 284.356 0.354 0 50 CCAA Nc1cncc(N2CCC(N3CCC[C@H](O)C3)CC2)n1 1857695596 QCHCLJWBRZCEQJ-LBPRGKRZSA-N 277.372 0.484 0 50 CCAA COCC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 408517663 LYFQIYBNMNGKRS-STQMWFEESA-N 299.415 0.326 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)CC(F)(F)F 643945081 WLDBSJAOOVFHGK-SECBINFHSA-N 268.235 0.432 0 50 CCAA C[C@H]1CN(C(=O)Cc2ccn(-c3ccccc3)n2)CC(=O)N1 335577265 VHSVWPKJSCVWKM-LBPRGKRZSA-N 298.346 0.762 0 50 CCAA C[C@@H](C(=O)N[C@H](Cc1ccncc1)C(=O)O)n1cncn1 655597159 NZGLYIDRHJDYQB-GXSJLCMTSA-N 289.295 0.046 0 50 CCAA CC(C)[C@H](C(=O)N(C)CC(=O)O)N1C[C@@H](C)O[C@H](C)C1 247519963 NYPVAYQNIAIVCU-NQBHXWOUSA-N 286.372 0.663 0 50 CCAA O=C1CC[C@H](NC(=O)c2cc[nH]c2)[C@@H]([C@@H]2CCCO2)N1 356661230 DAOCPMYGFGUGBL-GVXVVHGQSA-N 277.324 0.571 0 50 CCAA Cc1csc(CCNC(=O)Nc2nnn(C)n2)n1 828084865 QUYBJIOGRANHGA-UHFFFAOYSA-N 267.318 0.339 0 50 CCAA CNS(=O)(=O)c1ccc(NC(=O)c2ccnn2C)cc1 6728912 WJHNBJZGBLTWAY-UHFFFAOYSA-N 294.336 0.581 0 50 CCAA Cc1ccc(C)c(CC(=O)N[C@@H]2CCNC[C@H]2O)c1 534673845 VRDMTNFGPBTXGB-ZIAGYGMSSA-N 262.353 0.685 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)[C@@H]1CCOC1 643849219 WPEPYGUPJMFWFP-SKDRFNHKSA-N 257.286 0.115 0 50 CCAA O=S1(=O)CC[C@H](CN2CCc3ccc(CO)cc32)C1 366108943 OBCIIMPIDRPZCV-GFCCVEGCSA-N 281.377 0.976 0 50 CCAA N[C@]1(CO)CCCN(c2nc(C3CC3)ns2)C1 900375984 RNXUOCWXEFDVIV-LLVKDONJSA-N 254.359 0.706 0 50 CCAA CCCS(=O)(=O)N1CC[C@@H](N2CCN(C)CC2)C1 822989319 INRNCQVUVSFIDH-GFCCVEGCSA-N 275.418 0.048 0 50 CCAA COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1N 1422621 MSRAJCZQZJXDGV-SNVBAGLBSA-N 284.337 0.595 0 50 CCAA COC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@]21O 2465944 IPJBYSCSCXDDEE-FYBVGQRMSA-N 274.342 0.205 0 50 CCAA C[C@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1 3002685 OWPJUQYIZIVGAO-ZETCQYMHSA-N 256.689 0.776 0 50 CCAA C[C@@H]1CN(C(=O)c2cccnc2)[C@H](C)CN1CCO 416301696 VPCYFLDEUDYLTF-VXGBXAGGSA-N 263.341 0.609 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCCc1cccs1 67872200 JVAXHTAUGLSURK-PWSUYJOCSA-N 295.408 0.745 0 50 CCAA CCS(=O)(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 347908566 XJIAQZRDTHLALK-RYUDHWBXSA-N 276.402 0.521 0 50 CCAA Cc1ncc2c(n1)CC[C@@H](N1C(=O)CN(C)C1=O)C2 348839330 XDNLTQDKJHKYMV-SNVBAGLBSA-N 260.297 0.536 0 50 CCAA NC(=O)COc1cccc(CN2CCCC[C@@H]2CO)c1 69193539 SZGLYAUVNXXMRW-CYBMUJFWSA-N 278.352 0.898 0 50 CCAA C[C@H](O)CN1CCC(CN(C)[C@@H]2C[C@@H](C)OC2=O)CC1 229453615 KTBQGCVYESCOQX-OUCADQQQSA-N 284.400 0.715 0 50 CCAA Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](CN(C)C)C2)on1 229535983 ARJPTMIXUUAMHN-RYUDHWBXSA-N 296.371 0.572 0 50 CCAA Cc1cnn([C@H](C)[C@H](C)NC[C@@H](O)Cn2cccn2)c1 229570196 NPQYCHNJWLJQMF-BFHYXJOUSA-N 277.372 0.988 0 50 CCAA CNC(=O)[C@H]1CCCN(C(=O)c2cccc(C(=O)O)c2)C1 230348791 WAWGFVZQQWFULA-LBPRGKRZSA-N 290.319 0.983 0 50 CCAA COc1cccc([C@H]2C[C@H](O)CN2Cc2nnnn2C)c1 331617084 OEGAPKUGMUMARI-WCQYABFASA-N 289.339 0.527 0 50 CCAA Cc1nc2ccc(NCCc3ccnn3C)nn2n1 253415534 SBWNGTFLKLEUJT-UHFFFAOYSA-N 257.301 0.821 0 50 CCAA C[C@@H](NS(=O)(=O)CC1CCCC1)c1nncn1C 408315510 ILERCKHLUFDRHN-SECBINFHSA-N 272.374 0.986 0 50 CCAA Cc1nc(NCCn2cccn2)c2cnn(C)c2n1 72144513 DDLHDZKZMKDIAD-UHFFFAOYSA-N 257.301 0.980 0 50 CCAA Cc1cc(N2CCO[C@@H](CCN)C2)n2nccc2n1 72475345 OPQRYVRWDOWHQJ-NSHDSACASA-N 261.329 0.592 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1scnc1Cl 521362970 ZASBLJNZWICZBH-YFKPBYRVSA-N 276.701 0.722 0 50 CCAA NC(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71735691 JHXDKVVUAUOQSG-SNVBAGLBSA-N 268.700 0.725 0 50 CCAA Cc1cnc(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)cn1 332212576 JJVCGAYKDYCVRD-QWHCGFSZSA-N 276.340 0.330 0 50 CCAA O=C(NC[C@@H]1C[C@H](F)CN1)c1nnc(O)c2ccccc12 368044390 KVRSXNQTFXAAPR-IUCAKERBSA-N 290.298 0.765 0 50 CCAA C[C@@H]1C[C@@H](CN)CN1C(=O)c1cccc(OCC(N)=O)c1 261663475 GLHSZZIFRRMIRR-MNOVXSKESA-N 291.351 0.360 0 50 CCAA CN1C[C@@]2(CCCN(C(=O)Cn3ccnc3)CC2)OC1=O 72143142 WKIQZFMYZXEGJD-AWEZNQCLSA-N 292.339 0.716 0 50 CCAA CC(C)[C@H](O)CC(=O)NC[C@H]1CN2CCCC[C@H]2CO1 240471689 GDWBCWUZHPTHCX-MELADBBJSA-N 284.400 0.763 0 50 CCAA CCn1nccc1CCN1CCO[C@H](c2nc(C)n[nH]2)C1 241231269 KTLMELADQHXZSC-ZDUSSCGKSA-N 290.371 0.946 0 50 CCAA Cc1ccc(NCCCNC(=O)C(=O)N2CCCC2)nc1 222990370 WLUHSBSVWFRXCV-UHFFFAOYSA-N 290.367 0.931 0 50 CCAA O=C(CCn1cccc1)N1CCn2nc(CO)cc2C1 221442514 IMIYPYRRPIWFME-UHFFFAOYSA-N 274.324 0.609 0 50 CCAA C[C@H](O)CNC(=O)c1cnc(-c2ccccn2)nc1 426442489 FDNRMFYJRHRDIR-VIFPVBQESA-N 258.281 0.649 0 50 CCAA CCN1CCO[C@@H](C(=O)NCc2ccn3ccnc3c2)C1 178062673 JJLCGRJMKFXUOG-CYBMUJFWSA-N 288.351 0.671 0 50 CCAA C[C@@H](C(=O)NCc1nc(C(F)(F)F)n[nH]1)N(C)C 426379650 HCINUDQJMIJJRN-YFKPBYRVSA-N 265.239 0.390 0 50 CCAA CCCc1cc(CN(C)C(=O)c2ccnn2CCO)n[nH]1 426582708 AJQFJPINKAWCJY-UHFFFAOYSA-N 291.355 0.823 0 50 CCAA COC[C@H]1[C@@H](NC(=O)Cn2ccnc2)[C@@H]2CCO[C@@H]21 222865583 ROQMJRIUAQMSCK-UKJIMTQDSA-N 265.313 0.049 0 50 CCAA CNc1ncc(C(=O)N2CCCC[C@@H]2CCC(=O)O)cn1 426421126 KZQQWYWXKXGJAD-LLVKDONJSA-N 292.339 1.378 0 50 CCAA CCN1C[C@H](C(=O)NCCCc2ccccn2)CC1=O 91305731 BXAILOWQVDKRKM-GFCCVEGCSA-N 275.352 0.999 0 50 CCAA O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O)NCc1cccs1 534574436 PJDYXAFJIMYEHJ-IAZYJMLFSA-N 280.349 0.627 0 50 CCAA O=C(c1cccc(Cn2cccn2)c1)N1C[C@H](O)CO1 91690568 VGBJJJXWEFMHGX-ZDUSSCGKSA-N 273.292 0.680 0 50 CCAA Cc1ccn2c(C(=O)NCc3nnn[nH]3)c(C)nc2c1 97527839 RALVLEUMHRTYEB-UHFFFAOYSA-N 271.284 0.394 0 50 CCAA COc1cccc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 181592276 SYDQNFQBHUGJNP-NSHDSACASA-N 299.396 0.556 0 50 CCAA Cc1ccc(NC(=O)NC[C@]2(O)CCOC2)nc1 184321703 GSNNBAYKVDOKQU-GFCCVEGCSA-N 251.286 0.663 0 50 CCAA Cc1nnnn1CC(=O)N[C@@H](CC(C)C)c1ncnn1C 534640857 HHRMIFFGAGNEON-JTQLQIEISA-N 292.347 0.014 0 50 CCAA NC(=O)NCC(=O)NCC[C@H]1CCCCN1C1CCCC1 827838689 CFWOVPLCJKAMTI-CYBMUJFWSA-N 296.415 0.958 0 50 CCAA Cc1nc(CCN(C)C(=O)C[C@@H]2CCOC2)no1 584889424 UIDJSVBBBNFTES-JTQLQIEISA-N 253.302 0.806 0 50 CCAA Cc1cnn(CC(=O)NCCc2noc(C3CC3)n2)c1 670455622 AUOZQONKBGMRMH-UHFFFAOYSA-N 275.312 0.811 0 50 CCAA C[C@@H]1C[C@@H](C(=O)NCCc2nc(O)n[nH]2)CCC1=O 1875254699 OMQDZCIJFUMDDG-SFYZADRCSA-N 266.301 0.174 0 50 CCAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccc[nH]3)CC2)O1 952888765 OYVONFBQBLMKRP-QWHCGFSZSA-N 291.351 0.900 0 50 CCAA CNC[C@@H](O)[C@H](C)C(=O)N(C)CCOc1ccccc1F 952883518 MXBQSRUYMBQXSD-WCQYABFASA-N 298.358 0.879 0 50 CCAA C[C@H](O)CONC(=O)c1cccn(C2CC2)c1=O 1875396694 REMKYZDDIMRBTM-QMMMGPOBSA-N 252.270 0.225 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CC[C@@H](CC(=O)OC)C1 1875367440 BEZZMCYEZRDUCF-NSHDSACASA-N 282.340 0.433 0 50 CCAA CC(=O)NC[C@@H]1CN(Cc2ccon2)CCCO1 888103559 MUVLFKPEFDZVAC-GFCCVEGCSA-N 253.302 0.402 0 50 CCAA CN1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](c2cncn2C)C1 1775959935 IDUOWWDYFBXYJS-VXGBXAGGSA-N 273.340 0.576 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)CN(C)Cc1ccncc1 1565509387 DIZZLNRXARHYGO-KBPBESRZSA-N 293.367 0.434 0 50 CCAA COC[C@H]1[C@H](Nc2nccnc2OC)[C@H]2CCO[C@H]21 1565529107 YAVUHQIWABEZTM-LMLFDSFASA-N 265.313 0.947 0 50 CCAA C[C@H]1C[C@H](CNC(=O)NCC2(O)CCOCC2)CCO1 408085737 CGAXDRXAPFIMNA-NWDGAFQWSA-N 286.372 0.642 0 50 CCAA COC(=O)[C@@H]1CC12CCN(c1ccc3nnnn3n1)CC2 408157085 HDKPENBYSAIJKI-VIFPVBQESA-N 288.311 0.299 0 50 CCAA Cc1nnc(CC(=O)N2CCNC(=O)[C@H]2CC(C)C)s1 408523824 VJAQKALNPBZCAM-SNVBAGLBSA-N 296.396 0.762 0 50 CCAA CCn1[nH]nnc1=NC(=O)N[C@@H]1CC12CCCCC2 585119782 UGLFWRTZWVIKMH-SECBINFHSA-N 264.333 0.959 0 50 CCAA COc1cc(Cn2cnc3onc(C)c3c2=O)on1 631019000 YKUZPXLFXZCSBK-UHFFFAOYSA-N 262.225 0.738 0 50 CCAA C[C@@H]1CN(Cn2nnc3ccccc3c2=O)C[C@@H](C)O1 19938957 IDHLJCLDIBQKOV-GHMZBOCLSA-N 274.324 0.858 0 50 CCAA Cc1nsc(C(=O)NCCCn2cccn2)n1 170595842 QAYUVTJWPLHOHR-UHFFFAOYSA-N 251.315 0.863 0 50 CCAA C[C@H](N)[C@H]1CN(C(=O)c2ncc3n2CCCC3)CCO1 634288469 NOBDABMVRWYYHB-CMPLNLGQSA-N 278.356 0.408 0 50 CCAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cn[nH]c2)cn1 685940071 JWVZHNIKMVTTCF-NWDGAFQWSA-N 291.311 0.202 0 50 CCAA O=S1(=O)CC[C@H](CCN2CCC3(CCNCC3)C2)C1 693288960 WDSNPQUPTSPOPL-ZDUSSCGKSA-N 286.441 0.887 0 50 CCAA CN(CCO)CCNC1CSCCSC1 1506428145 XDCOJASMKVYRCW-UHFFFAOYSA-N 250.433 0.349 0 50 CCAA Cc1noc(=O)n1CC(=O)N[C@@H]1CCCC[C@H]1C 1857528210 IEISOEASAIUEED-PSASIEDQSA-N 253.302 0.840 0 50 CCAA COC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C 2555008 ZAYAFKXUQMTLPL-ZETCQYMHSA-N 261.274 0.918 0 50 CCAA in-vitro COCCN1CCCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 363091786 DCQYDEBNYZITGG-AWEZNQCLSA-N 297.399 0.178 0 50 CCAA CNC(=O)CN(C)C[C@@H]1CCC(=O)N(C(C)C)C1 1775983573 NNLKAEQQZBMVEQ-NSHDSACASA-N 255.362 0.311 0 50 CCAA CCC[C@H](C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 16637267 LCZKSVCCOMAQIZ-QWRGUYRKSA-N 276.402 0.963 0 50 CCAA CCNCCNC(=O)c1c(O)[nH]c2ccccc2c1=O 19735282 NDPWLIDXHIDCEX-UHFFFAOYSA-N 275.308 0.573 0 50 CCAA Cc1nc(O)c2c(n1)CN(C[C@H](O)C1CCNCC1)CC2 1857709079 DBIYNJSQLBOBMW-AWEZNQCLSA-N 292.383 0.209 0 50 CCAA CC(C)c1cc(C(=O)N2CC3(CNC(=O)N3C)C2)no1 1857680745 NUPALYJXTQCHMK-UHFFFAOYSA-N 278.312 0.648 0 50 CCAA CN1CCOC[C@@H]1C(=O)NCc1cccn2nccc12 1857686482 YLMCUOZVHFSGFC-CYBMUJFWSA-N 274.324 0.281 0 50 CCAA Cc1ccc(C(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)cn1 1857718340 DYJYDXKGNGNPAU-DOMZBBRYSA-N 287.319 0.563 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2[nH]nnc2C)C[C@@H]1O 1875241033 MGWPYLGACWCTSU-GXFFZTMASA-N 282.344 0.099 0 50 CCAA CN(C)Cc1cccc(C(=O)N[C@H]2CCOC[C@@H]2O)c1 629236008 MHAPBWWGWKPMKM-KBPBESRZSA-N 278.352 0.628 0 50 CCAA CCOc1cc(N2CCN([C@H](CC)CO)CC2)ncn1 125864328 POANFSWBKJEZLH-GFCCVEGCSA-N 280.372 0.768 0 50 CCAA CCn1cc(CN2CCC[C@H](O)[C@H]2C(=O)OC)cn1 249983823 YXIIZRLBNYDJNX-RYUDHWBXSA-N 267.329 0.401 0 50 CCAA O=C1C[C@@H](NC(=O)Cc2cccc(Cl)c2)C(=O)N1 1875277481 NNYXGADIVFCODI-SECBINFHSA-N 266.684 0.414 0 50 CCAA COC(=O)c1cncc(N2CC[C@@H](N(C)C)[C@H]2C)n1 389222571 WXANPABNSPRDFV-MWLCHTKSSA-N 264.329 0.792 0 50 CCAA O=C([C@@H]1CC2(CCC2)CO1)N1CCC[C@H]1c1nn[nH]n1 1875301056 BLOXPBUKGRDNRQ-UWVGGRQHSA-N 277.328 0.822 0 50 CCAA NC(=O)CC1(NC(=O)c2cncnc2)CCCCC1 1120001777 JZBNWVLDYPKWEJ-UHFFFAOYSA-N 262.313 0.785 0 50 CCAA NC1(C(=O)N2CCn3c(cnc3C(F)(F)F)C2)CC1 2325768856 YNABZMYVHCFOMA-UHFFFAOYSA-N 274.246 0.735 0 50 CCAA COc1cc(S(=O)(=O)N2CCOCC2)ccc1N 615023 KZIPUYQHEQYYPR-UHFFFAOYSA-N 272.326 0.298 0 50 CCAA c1nc2cc(CN3CCN(c4nc[nH]n4)CC3)ccn2n1 2356135734 QUBLQJZZVIPKIP-UHFFFAOYSA-N 284.327 0.170 0 50 CCAA COc1ccnc(CN2C[C@@H]3CNC(=O)[C@@H]3C2)c1OC 2356149347 WGHZEVWWKWNHBT-VHSXEESVSA-N 277.324 0.277 0 50 CCAA CCOC(=O)C(=O)NC[C@H]1COc2ccccc2O1 4008420 IXXYVEFUUBQSLE-VIFPVBQESA-N 265.265 0.506 0 50 CCAA COc1cc(/C=C2/C(=O)N=C(N)N2C)cc(OC)c1OC 8671027 JDUJSLKXSZBSMX-UITAMQMPSA-N 291.307 0.840 0 50 CCAA biogenic C[C@H](O)CN1CCN(CCC(=O)NC2CCCC2)C[C@H]1C 247157883 MAXZMHOPYZPWFU-KGLIPLIRSA-N 297.443 0.822 0 50 CCAA Cc1nc(C)c(CC(=O)N2CCSCC2)c(=O)[nH]1 20725112 IGTXJOWCRJYJHJ-UHFFFAOYSA-N 267.354 0.505 0 50 CCAA NS(=O)(=O)CCNC(=O)[C@H]1CCc2ccccc21 330622252 NMFGFHSRSQCSCT-NSHDSACASA-N 268.338 0.121 0 50 CCAA CNCC(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 72164522 NJUSDODIRQSHLQ-LBPRGKRZSA-N 275.352 0.396 0 50 CCAA CC(=O)N[C@@H]1CN(C(=O)CO)C[C@H]1c1ccc(C)cc1 77518043 DNIDSLUVRSHZRT-UONOGXRCSA-N 276.336 0.418 0 50 CCAA CC(C)n1ccc(C(=O)NCCS(=O)(=O)N(C)C)n1 216472397 SDJNLBRNHAZGBR-UHFFFAOYSA-N 288.373 0.085 0 50 CCAA Cc1cc(CC(=O)N[C@@H]2CCc3n[nH]cc3C2)no1 332187935 TYCVJPUPIBWUEC-SNVBAGLBSA-N 260.297 0.922 0 50 CCAA O=C(N1CCn2cnnc2C1)[C@]1(O)CCc2ccccc2C1 375050104 HAPYMPGKZXQMAX-INIZCTEOSA-N 298.346 0.540 0 50 CCAA COCC[C@H](C)S(=O)(=O)N[C@@H]1CCCNC1 240412869 FOLGPBXBBJWGAF-VHSXEESVSA-N 250.364 0.083 0 50 CCAA CNC[C@H]1CCCN(C(=O)CNC(=O)CCC(C)C)C1 237212413 MZHVHXSVHAFOPD-CYBMUJFWSA-N 283.416 0.997 0 50 CCAA CCN1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1cnn(C)c1 241776855 RTEDGJLAQBZRMY-ZIAGYGMSSA-N 292.383 0.284 0 50 CCAA C[C@H](NC(=O)CCn1cnc2sccc2c1=O)C(=O)O 237622083 YWTKRFDOJALNNP-ZETCQYMHSA-N 295.320 0.437 0 50 CCAA CN(C)[C@@H]1[C@@H](NC(=O)Cc2ccccn2)[C@H]2CCO[C@H]21 222575692 MVUYOTVNQNJTBH-FAAHXZRKSA-N 275.352 0.458 0 50 CCAA CCN(Cc1noc(C2CC2)n1)C(=O)N[C@@H](C)C(=O)O 426411271 HXTMSSDJBGUNEL-ZETCQYMHSA-N 282.300 0.952 0 50 CCAA Cc1cc(C[C@H](C)NC(=O)CCC(=O)N(C)C)[nH]n1 223064743 YIOTUUMLGGRBAK-VIFPVBQESA-N 266.345 0.634 0 50 CCAA N[C@@H]1CCN(c2ncc(C(=O)O)cc2Cl)C[C@H]1O 82099785 BBYGZDDCLDZZOR-RKDXNWHRSA-N 271.704 0.332 0 50 CCAA CC[C@@H](NC(=O)CN1CCN(C)C1=O)c1ncc(C)[nH]1 426477981 IZPBKTVUCYUUDJ-SNVBAGLBSA-N 279.344 0.653 0 50 CCAA O=C(O)CCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 178213106 TZPBWSMHSVHBGT-RITPCOANSA-N 282.218 0.034 0 50 CCAA CC[C@@H](NC(=O)c1cc(CO)ccn1)[C@H]1C[C@H](O)C1 222257854 RUBNSQHQORTDPH-GRYCIOLGSA-N 264.325 0.853 0 50 CCAA CCC[C@@H](NC(=O)Cc1nc(O)n[nH]1)c1nccn1C 426739043 LVIADADJSJIPLN-MRVPVSSYSA-N 278.316 0.444 0 50 CCAA O=C(NCCCn1ccnn1)c1ncc(F)cc1F 190647483 LKQLKIGAORSESO-UHFFFAOYSA-N 267.239 0.771 0 50 CCAA Cc1cc(C)n([C@@H](C)CNC(=O)c2ccn3nnnc3c2)n1 97813583 RGQQRFPXZYRVCD-NSHDSACASA-N 299.338 0.929 0 50 CCAA Cn1cncc1C(=O)N1CCC2(CC1)CN[C@@H](C(=O)O)C2 91676692 PEKNKMWAQNHGNH-SNVBAGLBSA-N 292.339 0.089 0 50 CCAA CC(=O)NCCNc1nc2c(s1)c(C)nn2C 95525687 QMDZDXUVGCSRTR-UHFFFAOYSA-N 253.331 0.886 0 50 CCAA CC1(C)O[C@@H]([C@H]2COC(C)(C)O2)[C@H]([C@@H](O)C(=O)O)O1 245204835 HUQQXZFRCUIDQI-HXFLIBJXSA-N 276.285 0.104 0 50 CCAA O=C(N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1)c1cc[nH]n1 244723990 MLPKGLLADKWFJZ-NQBHXWOUSA-N 278.356 0.279 0 50 CCAA COCCN1CCC[C@H](C(=O)NCCc2cc[nH]n2)C1 299758904 LODKMOHASZIMBV-LBPRGKRZSA-N 280.372 0.427 0 50 CCAA Cc1nonc1CNC(=O)Cn1c(=O)oc2ccccc21 827861308 BPQIJJAPENOKOA-UHFFFAOYSA-N 288.263 0.602 0 50 CCAA C[C@H]1C[C@H](C(=O)Nc2c[nH]nc2C(=O)O)CCO1 585134856 MHTIIKNYNSKBFW-NKWVEPMBSA-N 253.258 0.862 0 50 CCAA CCCC[C@H](NC(=O)c1c(CO)noc1C)C(=O)O 864097291 OPNRMKJYGDKWBV-QMMMGPOBSA-N 270.285 0.849 0 50 CCAA O=C(O)c1cc(CCNC(=O)[C@H]2CCCS2)[nH]n1 1875307035 IAHPDBYBCDBFIG-SECBINFHSA-N 269.326 0.662 0 50 CCAA CNC(=O)C[C@@H]1CN(c2nccc3ncccc23)C[C@H]1O 1875398526 UNPNNFXFADDZIS-ZWNOBZJWSA-N 286.335 0.563 0 50 CCAA NC(=O)Cc1ccccc1NC(=O)Cc1cnns1 1875356651 OSZQNTHRKYZWKH-UHFFFAOYSA-N 276.321 0.747 0 50 CCAA CNC(=O)c1c2c(nn1CCOC)[C@H](C)O[C@H](C)C2 1875314746 PYNLQNPFSSVVAO-BDAKNGLRSA-N 267.329 0.911 0 50 CCAA O=C(Nc1cnn[nH]1)C1CCN(C(=O)C2CC2)CC1 1875271679 UHZCHAUBXJTHAV-UHFFFAOYSA-N 263.301 0.392 0 50 CCAA C[C@@H](O)[C@@H]1CN(C(=O)C2(C(=O)O)CCCCC2)CCO1 1875292622 NZIUGIXSDODVBV-MNOVXSKESA-N 285.340 0.630 0 50 CCAA CCc1cc(N2C[C@H](CO)C[C@@H]2CO)nc(CC)n1 1875289391 NYFSZLIERNYCCG-ZYHUDNBSSA-N 265.357 0.781 0 50 CCAA CO[C@@H]1CN[C@H](C(=O)NCc2cn3c(C)cccc3n2)C1 952853153 YETCJUKTJRAWOX-STQMWFEESA-N 288.351 0.636 0 50 CCAA CNC(=O)[C@]12CCOC[C@@H]1CN(c1nccc(OC)n1)C2 952852371 FCKJKVZDRIXUTP-HZMBPMFUSA-N 292.339 0.074 0 50 CCAA CCN(Cc1cnn2cccnc12)[C@H]1CCS(=O)(=O)C1 952869590 VZDBIJXQOXEQFM-LBPRGKRZSA-N 294.380 0.738 0 50 CCAA C[C@H](C(=O)NCc1nc(-c2nn[nH]n2)cs1)C1CC1 1775987534 QRTZURBLOBGJLT-LURJTMIESA-N 278.341 0.986 0 50 CCAA CSc1nc(C(=O)N[C@@H]2CNCC[C@@H]2O)cs1 1565516547 POAGHVFXIPEIHM-SVRRBLITSA-N 273.383 0.318 0 50 CCAA O=C(N[C@@H]1CNCC[C@@H]1O)c1ccc(SCCO)cc1 1565527806 FTZZPUYYGJCWFA-OLZOCXBDSA-N 296.392 0.224 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCC[C@@H](N)C1 216432824 FBJCMJYRLBRDKD-GMTAPVOTSA-N 253.346 0.241 0 50 CCAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cnccn2)cn1 275345783 HLQJNTRKGQPNEJ-WCQYABFASA-N 287.323 0.860 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)c(C)o1 643995055 WRGFITRCJBKOGS-CQSZACIVSA-N 280.324 0.739 0 50 CCAA O=C(CN1CCO[C@H](C2CCC2)C1)Nc1cnccn1 660798812 PXZQOORIODDELF-LBPRGKRZSA-N 276.340 0.916 0 50 CCAA O=C([C@H]1CCOC1)N1CCCN(Cc2ncc[nH]2)CC1 1529158823 NOXRBMAYUHSYDA-LBPRGKRZSA-N 278.356 0.481 0 50 CCAA CN(C)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529145776 HAFZPVNKBKXJRG-KGLIPLIRSA-N 289.335 0.601 0 50 CCAA CC(C)c1nccc(N2CC(N3CCNC3=O)C2)n1 408189634 PLTKAPYGAQUOQG-UHFFFAOYSA-N 261.329 0.814 0 50 CCAA OC[C@]12CCCN[C@@H]1CN(CCn1cc(Cl)cn1)CC2 1704328336 MFFKEQJYCPWJAV-ZIAGYGMSSA-N 298.818 0.973 0 50 CCAA Cc1ccsc1CNC(=O)Cn1nnnc1C 131868534 DFXLTFPFZHGDDM-UHFFFAOYSA-N 251.315 0.668 0 50 CCAA CC[C@@H]1CCCCN1CCNC(=O)[C@H]1COCCO1 245344069 XFXQFWADZWXKHJ-CHWSQXEVSA-N 270.373 0.783 0 50 CCAA CO[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@H]1O 395983400 FMIVWKNDFRKEPG-RNFRBKRXSA-N 263.219 0.691 0 50 CCAA C[C@@]12C[C@@H]1CN(C(=O)c1cnc(N3CCOCC3)nc1)C2 1772813065 UUMJHVBRJVXKLI-DOMZBBRYSA-N 288.351 0.795 0 50 CCAA N[C@H]1C2CN3CCN(C2)CC1(Cc1ccccc1)C3 19370252 IKQFRJIKVNYDKF-PCKAHOCUSA-N 257.381 0.804 0 50 CCAA biogenic O=C([C@@H]1C[C@H](O)CN1)N1CCCN(C2CCCC2)CC1 238098576 CLUQTVNEQGJUMM-KBPBESRZSA-N 281.400 0.186 0 50 CCAA Cc1cc(CN2CCC[C@@](O)(CC(=O)N(C)C)C2)ncn1 643812756 SJTZNUUIERBULP-OAHLLOKOSA-N 292.383 0.590 0 50 CCAA C[C@H]1CC(=O)NCCN1C(=O)Cc1cnn2ccccc12 648796838 URTSSMWYQICFSG-NSHDSACASA-N 286.335 0.614 0 50 CCAA O=C(c1ccc2c(c1)OCO2)N1CCC(O)(C(=O)O)CC1 262433377 FBTYOYGMAIJMHG-UHFFFAOYSA-N 293.275 0.467 0 50 CCAA Cc1cccc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)c1 264732846 HXKPNCTWYGHQAI-ZDUSSCGKSA-N 297.424 0.519 0 50 CCAA C[C@H]1CN(CCO)CCN1C(=O)c1cnc2cc[nH]c2c1 909438473 SSKVLCHEPUGQGW-NSHDSACASA-N 288.351 0.702 0 50 CCAA CCn1cc(C(=O)N[C@H]2CCN(c3ccccn3)C2)nn1 935060140 HICRCOILWVETTG-NSHDSACASA-N 286.339 0.702 0 50 CCAA O=C(Cc1cn2ccccc2n1)NC1(C(=O)O)CC1 203649239 WAEUMUYMZGIBDY-UHFFFAOYSA-N 259.265 0.610 0 50 CCAA C[C@H](CN(C(=O)[C@@H]1CC(=O)N(C)C1)C1CC1)C(=O)O 237615373 NGZUTKGYDDWBKV-RKDXNWHRSA-N 268.313 0.176 0 50 CCAA Cc1cc(CN2CCN3C(=O)N(C)C(=O)[C@@H]3C2)no1 378060437 PAJVDHHQELLHIM-JTQLQIEISA-N 264.285 0.061 0 50 CCAA CNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 6729937 GOMMJQAEXZJHGD-UHFFFAOYSA-N 286.353 0.742 0 50 CCAA CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 6766155 XEXRZVNZPAWQCA-UHFFFAOYSA-N 254.311 0.368 0 50 CCAA CC(C)N1CCC(CNC(=O)CN2CCNCC2)CC1 67947460 YTRWIHJUBJENNR-UHFFFAOYSA-N 282.432 0.128 0 50 CCAA Cn1nccc1CNc1nccc(N[C@H]2CCCOC2)n1 328650564 VNXJAEPTGOUAGE-NSHDSACASA-N 288.355 1.413 0 50 CCAA Cc1noc([C@H]2C[C@@H](O)CN2CCCN2CCCC2)n1 328625949 LETVMUYRYRQDLK-CHWSQXEVSA-N 280.372 0.972 0 50 CCAA C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@H](CN)C1 430939708 MCKOXFABWKIHAZ-GHMZBOCLSA-N 290.367 0.393 0 50 CCAA O=C1CC(C(=O)N2CCC(c3ncco3)CC2)=NN1 862110829 YBEISEVEMDEZHU-UHFFFAOYSA-N 262.269 0.257 0 50 CCAA CCc1onc(C)c1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 151760052 VOJLOJLAYICIRS-CMPLNLGQSA-N 279.340 0.700 0 50 CCAA CC[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H](C)[S@]1=O 329209029 YWEFPHVJEOQVHK-XXVPYAROSA-N 258.347 0.242 0 50 CCAA Cc1cc(=O)c(CO)nn1C[C@@H]1CCO[C@@H](C)C1 330063331 QAAVKIVLRJWDHD-WDEREUQCSA-N 252.314 0.859 0 50 CCAA CN(C[C@H]1CCCOC1)C(=O)N1CCS(=O)(=O)CC1 330341347 ZDBWVWDAIGGJIM-LLVKDONJSA-N 290.385 0.195 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2ccncc2C)N(C)C1 330573473 PXKPEILSUFCOGC-STQMWFEESA-N 263.341 0.725 0 50 CCAA CC[C@H](O)CC(=O)N1CCNC(=O)[C@@H]1CC(C)C 331334567 PUVJLBCVTMRESL-QWRGUYRKSA-N 256.346 0.521 0 50 CCAA CCN1C[C@@H](C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)CC1=O 253426746 IOBAXFMKRZYSGE-MQAXGYDLSA-N 287.323 0.149 0 50 CCAA CC[C@H](CNS(C)(=O)=O)N[C@@H]1CCNCC[C@@H]1C 331843875 GXBDBNMZBRFNSX-QJPTWQEYSA-N 277.434 0.292 0 50 CCAA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)CCCn1cccn1)C2 219380953 QJYHYAKUAUYCKE-OLZOCXBDSA-N 290.367 0.790 0 50 CCAA Cc1nc(CCC(=O)N2CCO[C@@H](C(F)(F)F)C2)n[nH]1 71747821 WORKMFAHCAAQPR-MRVPVSSYSA-N 292.261 0.835 0 50 CCAA O=C(C(=O)N1CC[C@]2(CCNC2)C1)N1CCCC2(CC2)C1 335378318 LAJPRFHSXWECKC-INIZCTEOSA-N 291.395 0.601 0 50 CCAA CN1CCN(c2cnn(CC3CCC3)c(=O)c2)CC1 72167455 IFYTXGQPDSELSD-UHFFFAOYSA-N 262.357 0.795 0 50 CCAA Cc1nc(C)c(S(=O)(=O)N2CCC[C@@H](O)C2)s1 178553914 AMPKYUQXNGYJTP-SECBINFHSA-N 276.383 0.905 0 50 CCAA Cc1nc(O)c2c(n1)CN(C(=O)N[C@H]1CCOC1)C2 426517553 IBFYHWYLJIPPQH-QMMMGPOBSA-N 264.285 0.305 0 50 CCAA CCc1cc(C(=O)NC2(C(N)=O)CCCC2)cc(=O)[nH]1 97823466 BZVNYPZVJNNDEC-UHFFFAOYSA-N 277.324 0.465 0 50 CCAA CN(C(=O)CCCN)[C@@H]1CCCC[C@H]1S(C)(=O)=O 237263489 VQWWOPWSWAIGTQ-GHMZBOCLSA-N 276.402 0.540 0 50 CCAA CC(C)n1cnnc1CN(C)CC(=O)NC[C@@H]1CCCO1 244763943 OYFYVSZQZPPGNN-LBPRGKRZSA-N 295.387 0.586 0 50 CCAA CN1CCCC[C@H]1C(=O)N[C@H]1CCc2nccn2C1 257365449 VBCQVRBZLKUBHQ-RYUDHWBXSA-N 262.357 0.798 0 50 CCAA CCN(CC(=O)O)C(=O)c1cccc2c1OCO2 299752659 UXADPXLOPHQHID-UHFFFAOYSA-N 251.238 0.962 0 50 CCAA Cc1cnc(CN2CCC([C@@H](O)C(=O)NC3CC3)CC2)o1 299753395 YCCQZIWDXXCOET-CQSZACIVSA-N 293.367 0.835 0 50 CCAA C[C@H](CCNc1ncccc1C(N)=O)N1CCN(C)CC1 534583106 VBJAPPLFQAABFC-GFCCVEGCSA-N 291.399 0.618 0 50 CCAA CCn1ncnc1[C@@H](C)NC(=O)CN(C)C1CCNCC1 534672330 PFEVYIFJZHZUQH-LLVKDONJSA-N 294.403 0.159 0 50 CCAA Cc1nn(CC(=O)N[C@@H]2CCNC2=O)c(C)c1Cl 534662713 MZRCRDGGWVNHMK-MRVPVSSYSA-N 270.720 0.158 0 50 CCAA O=C([C@H]1CCCO1)N1CCCN(CCn2ccnc2)CC1 362674696 PPFSNDNMMYSREK-CQSZACIVSA-N 292.383 0.596 0 50 CCAA CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1cn[nH]c1 299793388 JDAXOXXFZUSBHT-LBPRGKRZSA-N 293.371 0.082 0 50 CCAA Cc1ocnc1C(=O)NCCCn1ccccc1=O 584893496 RGCMNBXLWKZLBM-UHFFFAOYSA-N 261.281 0.965 0 50 CCAA CN1CCC[C@H](CCNc2cncc(C(N)=O)n2)C1 584893736 YSYWESKRJKBKRH-SNVBAGLBSA-N 263.345 0.719 0 50 CCAA O=C(c1cc(O)ccc1F)N1C[C@H](O)[C@@H](N2CCCC2)C1 584886357 APADPEXOSGCXOI-KBPBESRZSA-N 294.326 0.812 0 50 CCAA CN(C(=O)/C=C/CN1CCCC1)[C@H]1CCCCNC1=O 1875338429 XSHUOSGTBMLNPE-CFNZNRNTSA-N 279.384 0.766 0 50 CCAA Cc1n[nH]c(=NC(=O)NC[C@@H]2C[C@H]3C[C@@H]2C[C@H]3O)s1 1875303628 GGMPAFIPKCYVEK-DOLQZWNJSA-N 282.369 0.797 0 50 CCAA O=C1NC(=O)c2c1cccc2C(=O)N1CCC[C@H]1CO 1875339846 AESJQQJRHTVWJJ-QMMMGPOBSA-N 274.276 0.167 0 50 CCAA Cc1cc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)ncn1 887009142 OABVACAVXKPZAP-VXGBXAGGSA-N 277.324 0.445 0 50 CCAA NC[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CCCCO1 246468725 FWDSEBJALBUVOX-QWRGUYRKSA-N 262.375 0.308 0 50 CCAA O=S(=O)(NCc1cn(Cc2cccs2)nn1)C1CC1 899682456 LJTHZWDLCHMECD-UHFFFAOYSA-N 298.393 0.970 0 50 CCAA Cc1conc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 631551788 NQWLSHFHRDCDBZ-CMPLNLGQSA-N 279.340 0.776 0 50 CCAA N[C@H](CC(=O)Nc1ccn([C@H]2CCNC2)n1)c1ccccc1 548019105 YELGQJZOLWXHRP-UONOGXRCSA-N 299.378 1.446 0 50 CCAA Cc1cc(C(=O)NS(C)(=O)=O)nn1[C@H](C)C1CC1 408335446 VCBDHKDRFZVEDI-MRVPVSSYSA-N 271.342 0.852 0 50 CCAA C1C[C@H](N2CCOCC2)CCN([C@H]2CCOC2)C1 408522767 DDMJGNVFLIKMMP-KBPBESRZSA-N 254.374 0.962 0 50 CCAA Cn1cc([C@H]2CSCCN2CC(=O)NC2CC2)cn1 170612053 JBMOHQFEAKMUJG-GFCCVEGCSA-N 280.397 0.789 0 50 CCAA COCCN1CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1=O 189926487 OKVZOEDZCBQKGK-NWDGAFQWSA-N 284.356 0.119 0 50 CCAA COCc1cc(NC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)ncn1 647697839 PTDHSDFLHUFYNC-DTWKUNHWSA-N 294.311 0.998 0 50 CCAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)[C@H]1COCCO1 653330178 BFVNPKORMSFYOW-JHJVBQTASA-N 291.303 0.831 0 50 CCAA CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(S(=O)(=O)C2CC2)C1 571186113 RXWRFDNTNCJCAZ-SCZZXKLOSA-N 286.357 0.367 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)c1cn(C)cn1 408009131 PINHQQBQAOFNSK-SNVBAGLBSA-N 250.302 0.161 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1cccc(O)c1)C2 1704310439 WYKNSDHNKZFCID-KBPBESRZSA-N 290.363 0.724 0 50 CCAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ncc[nH]1 1704298233 IANJWYURRDBTAV-NEPJUHHUSA-N 272.308 0.792 0 50 CCAA Cc1cc(=NCCN2CCOC[C@@H]2C)[nH]c(C)n1 591018374 RRSVEFDWLHVNCL-NSHDSACASA-N 250.346 0.648 0 50 CCAA O=C(NCc1cccn2nccc12)[C@H]1CCc2ncnn2C1 1857721204 DWOMNFAVARQOPV-LBPRGKRZSA-N 296.334 0.805 0 50 CCAA Cn1ccc(CNC(=O)CN2CCCC[C@H](O)C2=O)c1 644382092 QGGOFVUZVZSYDF-LBPRGKRZSA-N 279.340 0.015 0 50 CCAA O=C(Cc1cccc(F)c1F)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875240819 GOVRCTPKSNSCJA-DMTCVQMQSA-N 299.273 0.151 0 50 CCAA COc1cccc(C2=CCN(S(N)(=O)=O)C2)c1 328587040 FCMFCZLRSONNPK-UHFFFAOYSA-N 254.311 0.598 0 50 CCAA O=C(O)[C@H](c1ccc2c(c1)OCCO2)N1CCOCC1 16764671 VBUTXUTUGOIRRJ-ZDUSSCGKSA-N 279.292 0.916 0 50 CCAA CC(C)COCCN1CC[C@H]2OCC(=O)N[C@@H]2C1 253398460 QUQJPSSGSHAIFK-VXGBXAGGSA-N 256.346 0.248 0 50 CCAA CNC1(C(N)=O)CCN(C(=O)[C@@H]2CC[C@H](C)C2)CC1 2325802149 LLGOCTFVPKJJKD-WDEREUQCSA-N 267.373 0.489 0 50 CCAA O=C(CCn1cnnn1)Nc1nc2c(o1)CCCC2 1472336234 AXZXFOPYPRQPMW-UHFFFAOYSA-N 262.273 0.569 0 50 CCAA COC(=O)c1cc(OC)c(OC)cc1N1C(=O)C=CC1=O 116322 SCWDLHRMZDPRSR-UHFFFAOYSA-N 291.259 0.920 0 50 CCAA COc1cccc(NC(=O)C[C@H]2NCCNC2=O)c1 540123 BSISTFKYVAIKDK-LLVKDONJSA-N 263.297 0.112 0 50 CCAA CC(=O)S[C@H]1CS(=O)(=O)C[C@@H]1SC(C)=O 1232048 YXOMJTPNTHKCHW-YUMQZZPRSA-N 268.381 0.711 0 50 CCAA O=C(CCOc1ccccc1)N1C[C@H]2COC[C@@]2(CO)C1 2356150173 PBDPVYZTOUSXKP-BBRMVZONSA-N 291.347 0.923 0 50 CCAA CC(=O)NCCOc1cccc(OCCNC(C)=O)c1 2995263 BUYSZVKIBJZCKP-UHFFFAOYSA-N 280.324 0.716 0 50 CCAA N[C@H](CSCNC(=O)c1ccccc1)C(=O)O 3121663 AKQYRFCYSNUADD-SECBINFHSA-N 254.311 0.519 0 50 CCAA C[C@H](O)CNC(=O)Nc1sc2c(c1C(N)=O)CCC2 6754793 MBAURFKEKRLXMD-LURJTMIESA-N 283.353 0.838 0 50 CCAA CS(=O)(=O)NCCNc1ncnc2cccc(F)c12 54056744 XRHHGZODAYRUNP-UHFFFAOYSA-N 284.316 0.730 0 50 CCAA Cc1cc(S(=O)(=O)N[C@@H]2CCCNC2=O)c(C)s1 51157062 WZZOPLZARXHWSM-SECBINFHSA-N 288.394 0.922 0 50 CCAA Cc1nc2ccncc2cc1C(=O)N1CCN(C)C(=O)C1 20600310 AIVJWORXFAODLF-UHFFFAOYSA-N 284.319 0.852 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1Cc1cnn(C)c1 67515091 SCKLOBLSBWSHSF-OLZOCXBDSA-N 279.388 0.190 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N2CCCC[C@H]2CN)C1 252173304 OKRHMULBXBRZDZ-RYUDHWBXSA-N 275.418 0.776 0 50 CCAA O=S1(=O)CCC[C@H](NCC2(O)Cc3ccccc3C2)C1 362252012 ANRBCUJFNIYIJC-AWEZNQCLSA-N 295.404 0.683 0 50 CCAA Cn1cnc(C(=O)N2CCCC[C@H]2CC(=O)O)c1 236093421 GZDSSFMTNFDEBY-VIFPVBQESA-N 251.286 0.890 0 50 CCAA CC1CCN(C(=O)CS(=O)(=O)[C@H](C)[C@H](C)O)CC1 172888509 NNNXORXFSJGJJW-WDEREUQCSA-N 277.386 0.429 0 50 CCAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(N)=O)cc1 72168439 ZZGAHOBTWWDMRM-CYBMUJFWSA-N 291.351 0.261 0 50 CCAA CC(C)(N)CC(=O)N1CCC[C@H](Cn2cncn2)C1 236829289 SGDSRNNFWWCNMX-NSHDSACASA-N 265.361 0.644 0 50 CCAA CN(C)S(=O)(=O)CCN1CC[C@@H](O)c2ccccc2C1 377409459 HZFGGBBCMHATBK-CQSZACIVSA-N 298.408 0.817 0 50 CCAA CCCn1nccc1C(=O)N1CCC[C@@](O)(CN(C)C)C1 72148476 QYHDLMWEYAQHKI-OAHLLOKOSA-N 294.399 0.822 0 50 CCAA CC(=O)NCC(=O)N1CC[C@H](C2CCOCC2)C1 378285137 PWGKIBYSGCZRLC-LBPRGKRZSA-N 254.330 0.398 0 50 CCAA CC(C)CS(=O)(=O)CC(=O)N1CC[C@](C)(C(=O)O)C1 262197573 IVVCTTMMZGJEON-LBPRGKRZSA-N 291.369 0.380 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)c1cc(-n2cccn2)ccn1 262912185 SISPYBKZBZTJDY-LBPRGKRZSA-N 286.291 0.957 0 50 CCAA C[C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)s2)CCN1 336229963 WTGQKUDMVHUNFO-JGVFFNPUSA-N 267.354 0.717 0 50 CCAA Cn1ncc2c(N3CC[C@H](O)C3)nc(-c3ccncc3)nc21 72152973 XWIPVMCCJDGLJY-NSHDSACASA-N 296.334 0.996 0 50 CCAA COCCn1ccnc1CN1CCCC[C@H]1CC(N)=O 215205773 NMVFNPJICGHNKS-LBPRGKRZSA-N 280.372 0.759 0 50 CCAA CON(C)C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C 285204636 WUDOXRXOXHAHNZ-MWLCHTKSSA-N 253.302 0.908 0 50 CCAA CCO[C@@H]1C[C@@](CO)(NC(=O)NCCC(=O)O)C1(C)C 263351201 HWCZNIZRQVFKLS-RNCFNFMXSA-N 288.344 0.326 0 50 CCAA C[C@@H](Cc1cccnc1)NC(=O)N1CCS(=O)(=O)CC1 426526539 XXTMIGFQNQNSRB-NSHDSACASA-N 297.380 0.453 0 50 CCAA Nc1n[nH]c(CCNC(=O)[C@H]2CC23CCCCC3)n1 426534125 WQHQWVDKGYKRMY-SECBINFHSA-N 263.345 1.016 0 50 CCAA CC(C)Cc1noc([C@H](C)NC(=O)c2cncc(=O)[nH]2)n1 426536294 NXXMXLTWBAIZBG-QMMMGPOBSA-N 291.311 0.842 0 50 CCAA CCC(C)(C)NC(=O)CSc1nnc(CNC)n1C 426722390 GSRQOBWZWLWPFP-UHFFFAOYSA-N 285.417 0.931 0 50 CCAA CCNC(=O)c1ccc(CNC(=O)C2(N)CC2)cc1 236956298 DVGPMQXUICXMAY-UHFFFAOYSA-N 261.325 0.544 0 50 CCAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)CO)C1 95515278 XCZMLKGOZLIIRP-ZDUSSCGKSA-N 294.399 0.533 0 50 CCAA CC(=O)N1CCN(C(=O)Nc2cnns2)CC1 96167001 VUOGBIPYARVGFW-UHFFFAOYSA-N 255.303 0.234 0 50 CCAA CCCn1ncc(C(=O)N2CC[C@H]2C(=O)O)c1C 95507322 ACKHZFMVWCQNFM-JTQLQIEISA-N 251.286 0.901 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)c2ccc(=O)[nH]c2)C1 91620296 FBFSOFPKCCLYON-OAHLLOKOSA-N 294.351 0.626 0 50 CCAA COC(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C 97756935 VKIABJUARDZNRU-DCXZOGHSSA-N 279.358 0.821 0 50 CCAA N[C@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1C1CC1 91603847 VNMQXUUZAKALKK-MNOVXSKESA-N 268.748 0.732 0 50 CCAA COCCCN1CC[C@H](CNc2ncncn2)C1 230492724 PGBFXDAIDLJNHF-LLVKDONJSA-N 251.334 0.642 0 50 CCAA Cc1nccn1CCC(=O)NCC1CCNCC1 252485487 GWLYHHMSORKHIC-UHFFFAOYSA-N 250.346 0.697 0 50 CCAA Cc1cc(C)n(CC(=O)N2CCC[C@H]2Cn2ccnn2)n1 299746249 WBUFKMAQQSWKJQ-ZDUSSCGKSA-N 288.355 0.783 0 50 CCAA NC(=O)c1noc(Cn2ccc3ccccc3c2=O)n1 95380245 PYZRRCKOMPEJFJ-UHFFFAOYSA-N 270.248 0.532 0 50 CCAA COCC1(C(=O)NCCCN2CCCC[C@@H]2CO)CC1 824347344 WUDJRVSOKYCIDR-CYBMUJFWSA-N 284.400 0.766 0 50 CCAA CCc1nn(C)c2c(=O)n(CCn3ccnc3)cnc12 584903794 CYLRBJISEWMLOI-UHFFFAOYSA-N 272.312 0.589 0 50 CCAA COc1nc(N(C)CC2CCN(CCO)CC2)ncc1F 670451124 YTWXBCBUGXDNHW-UHFFFAOYSA-N 298.362 0.765 0 50 CCAA CC(C)(C)n1cc(CN2C[C@H](n3ccnn3)[C@H](N)C2)cn1 952852798 SVJACVXXKQLSQS-OLZOCXBDSA-N 289.387 0.614 0 50 CCAA C[C@@H]1COC[C@@](CO)(CN=c2[nH]ncc3ccccc23)N1 1875394914 AWJRDPRCRUFKNH-ABAIWWIYSA-N 288.351 0.203 0 50 CCAA NCc1cc(C(=O)N2C[C@@H]3OC(=O)O[C@@H]3C2)co1 1875357446 HVDGPRVGXWIGNR-DTORHVGOSA-N 252.226 0.098 0 50 CCAA OC[C@@H]1CCCCN1CCNc1ncc(F)cn1 952981766 VAXNMTMFJIMYCO-NSHDSACASA-N 254.309 0.874 0 50 CCAA O=C(N[C@@H]1COC[C@@H]1NC(=O)c1ccoc1)c1ccoc1 888041687 KZQQZQQKFIZHLV-TXEJJXNPSA-N 290.275 0.800 0 50 CCAA CCOc1cc(C(=O)NCC2(COC)CCOCC2)[nH]n1 1412203714 MZNRMZJNXZWZQZ-UHFFFAOYSA-N 297.355 0.981 0 50 CCAA CC(C)(C)OC(=O)NC[C@@H]1CNC[C@]1(F)C(=O)O 1772715831 WGPNHLMFUYSENG-WRWORJQWSA-N 262.281 0.523 0 50 CCAA O=C(c1ccncn1)N1CC[C@H](c2cc(O)nc(O)n2)C1 1418306409 HIMBXWFTOADTDD-QMMMGPOBSA-N 287.279 0.308 0 50 CCAA CN1CCn2c(CNC(=O)c3cccs3)nnc2C1=O 1773700730 ZJKLUDHBASVICY-UHFFFAOYSA-N 291.336 0.355 0 50 CCAA C[C@]1(O)CCN(C(=O)c2cnc3c(c2)CCC3)C[C@H]1O 1565507875 KYRXOACPGZDERW-HIFRSBDPSA-N 276.336 0.528 0 50 CCAA Cc1nnc(NC(=O)NC[C@@H]2CNC(=O)C2)s1 1475895525 SHUWBMHEWNBCAQ-LURJTMIESA-N 255.303 0.104 0 50 CCAA CS[C@@H]1CCN(C(=O)c2cn3c(n2)COCC3)C1 599978868 PNFCQLGRHZCIGB-SECBINFHSA-N 267.354 0.991 0 50 CCAA COC(=O)[C@@H](NCc1nc2ccccc2n1C)[C@H](C)O 191015385 DUHTVVDKPVFWKU-ZANVPECISA-N 277.324 0.585 0 50 CCAA Cc1cnc(N2CCC[C@](O)(CC(=O)N(C)C)C2)nc1 643718852 JSJALWUZNGSJHA-AWEZNQCLSA-N 278.356 0.595 0 50 CCAA CO[C@H]1C[C@@H](NS(=O)(=O)c2cn[nH]c2)C12CCC2 713123993 SLFIZAJSEHKZTN-ZJUUUORDSA-N 271.342 0.646 0 50 CCAA Cc1cccnc1N1C[C@H](O)[C@@H](N2CCOCC2)C1 1506414708 RCCUYOZVJXOYAZ-STQMWFEESA-N 263.341 0.272 0 50 CCAA O=C1C[C@H](NS(=O)(=O)CC2CCC2)[C@@H]2CCCCN12 328740425 NCALNCJKXZAZTO-RYUDHWBXSA-N 286.397 0.859 0 50 CCAA Oc1nnc2n1CCN(c1nc(C3CC3)ns1)C2 329668852 RDQXLRYPHJUXEU-UHFFFAOYSA-N 264.314 0.733 0 50 CCAA Cc1cc(CC(=O)N(CCO)Cc2cnc(C)[nH]2)on1 1704316424 OWDYPUAUTSWRDB-UHFFFAOYSA-N 278.312 0.578 0 50 CCAA CCn1ccc(CC(=O)N2CCC[C@H](C(=O)O)C2)n1 649472778 AHQXSNPLSTVCRE-JTQLQIEISA-N 265.313 0.769 0 50 CCAA C=CC(=O)N1CCC[C@H](n2cc(C(=O)O)nn2)C1 1614423237 RXSKDUGXAIWRHY-QMMMGPOBSA-N 250.258 0.326 0 50 CCAA Cc1ccc(C(=O)N2C[C@H](Cc3cnccn3)[C@@H](O)C2)cn1 1616079638 ZKJHBILLPWVSDX-ZFWWWQNUSA-N 298.346 0.856 0 50 CCAA CC(C)c1cc(CN(C)[C@H]2CS(=O)(=O)C[C@@H]2O)no1 1616096360 BYLSIOUJNAIDCW-QWRGUYRKSA-N 288.369 0.388 0 50 CCAA Cc1cc(F)ccc1S(=O)(=O)N(CCO)CCO 16319540 KKHJEEYKDUEIKB-UHFFFAOYSA-N 277.317 0.109 0 50 CCAA O[C@H]1C2CN3CCN(C2)CC1(Cc1ccccc1)C3 19637828 CGUDJXDALLLTIR-PCKAHOCUSA-N 258.365 0.837 0 50 CCAA biogenic O=C(O)Cc1cccc(-c2nc(N3CCOCC3)n[nH]2)c1 1875240619 CSYGTIZNJZFJBW-UHFFFAOYSA-N 288.307 0.935 0 50 CCAA CCCNC(=O)CN1CCC(NC(=O)c2ccon2)CC1 330733979 UDYXOKCCYFOAGJ-UHFFFAOYSA-N 294.355 0.395 0 50 CCAA COCCn1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)O)n1 659152699 CDORJESTJQRUIQ-ZJUUUORDSA-N 281.312 0.513 0 50 CCAA CNC(=O)[C@@H](O)CNC(=O)c1csc2c1CC[C@@H](C)C2 253433180 SWXPAYBPNISJDE-KCJUWKMLSA-N 296.392 0.710 0 50 CCAA Cc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)O)C2)cc1 1704300540 XIFPHSQSGSBLER-NWDGAFQWSA-N 299.348 0.451 0 50 CCAA COc1cccc(CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)c1C 930640864 PKRWEUURGWZOMO-TXEJJXNPSA-N 274.320 0.708 0 50 CCAA COCC1(CC(=O)N2CCOC[C@H]2C(=O)O)CC1 401263714 YZTNCPJVTSSNOG-VIFPVBQESA-N 257.286 0.115 0 50 CCAA CC(C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1425603 IXLCEKMVOKGSML-UHFFFAOYSA-N 281.400 0.975 0 50 CCAA CCc1c(NC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)n[nH]c1C 2100544601 AUODCVOHQDSXDC-VIFPVBQESA-N 293.327 0.502 0 50 CCAA CO[C@@H]1[C@@H]2CCC[C@@H]2[C@H]1N=c1nc(O)c2c(ncn2C)[nH]1 2325786823 HFAXRHUOYNDSIU-YSSBGUOXSA-N 289.339 0.716 0 50 CCAA NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 56364 CJPWGCDTJPQHCT-UHFFFAOYSA-N 270.354 0.209 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 168620 ZQKMWRGUSKTUKM-ZJUUUORDSA-N 253.229 0.486 0 50 CCAA Cn1c(NC(=O)c2ccc(Cl)cc2)cc(=O)n(C)c1=O 2711260 VGXBJKIGFZWIME-UHFFFAOYSA-N 293.710 0.990 0 50 CCAA O[C@H]1CCN(c2nccc(N3CCC[C@@H](O)C3)n2)C1 2356154399 URPXGZKJTQPOQV-MNOVXSKESA-N 264.329 0.009 0 50 CCAA C[C@H](Cc1cnccn1)NC(=O)CCN1CCCCO1 55036768 TZYGZLDFNWAHSL-GFCCVEGCSA-N 278.356 0.941 0 50 CCAA Cc1cc(-n2nc(C)nc2-c2cn(CCN)nn2)ccn1 67770498 GEVMSPUGTYRVMF-UHFFFAOYSA-N 284.327 0.496 0 50 CCAA Cc1cnn(CCC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c1 328668656 FGCHLKBPVKSYME-CYBMUJFWSA-N 291.351 0.788 0 50 CCAA OCC1CCN(Cc2cc3n(n2)CCCNC3)CC1 72159043 QIKMDCRQBLRWNR-UHFFFAOYSA-N 264.373 0.581 0 50 CCAA C[C@H](C(=O)NC[C@@H]1CCCO1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 428189747 RBZYIRFRNKWTLS-MNQBEEPXSA-N 292.379 0.555 0 50 CCAA CCN1CCO[C@H](C(=O)N2CCCc3n[nH]cc32)C1 366063844 ZPKNZBVAGGGEJI-LBPRGKRZSA-N 264.329 0.410 0 50 CCAA Cc1cc(N2CCN(c3cncc4ncnn34)CC2)ncn1 328636232 NYQJIKLFYJLAMF-UHFFFAOYSA-N 296.338 0.549 0 50 CCAA CN(Cc1cc(-c2cccnc2)no1)C[C@]1(O)CCNC1 72421779 CHWRPHJNAAGRKP-HNNXBMFYSA-N 288.351 0.893 0 50 CCAA COc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cn1 330533529 OHABFQKLRVFPCA-IUCAKERBSA-N 290.316 0.184 0 50 CCAA O=C(CCc1ccccn1)N1C[C@@H](F)C[C@H]1CO 330568847 MPVMEIUTLXLGPA-JQWIXIFHSA-N 252.289 0.946 0 50 CCAA CCc1nnc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)nc1CC 284623128 RZSSCWYFKVAIRD-NEPJUHHUSA-N 290.371 0.599 0 50 CCAA O=C(O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 238188880 KFIYZAUBKSNNGH-QMMMGPOBSA-N 296.710 0.894 0 50 CCAA CNC(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 72134631 SFACLSZUVOXYQO-AWEZNQCLSA-N 289.379 0.556 0 50 CCAA CCCCS(=O)(=O)NCC(=O)N[C@@H](C)c1ccccn1 341140802 CBOWZLKPNQLANW-NSHDSACASA-N 299.396 0.978 0 50 CCAA CNc1cc(C(=O)N[C@@H]2COCC[C@H]2OC)ccn1 221292880 WGMVEVIPDDCYBS-GHMZBOCLSA-N 265.313 0.657 0 50 CCAA CCc1nccn1CCNC(=O)[C@@H](C)N1CCN(C)CC1 426411230 FKKCUJMILBPQRU-CYBMUJFWSA-N 293.415 0.198 0 50 CCAA Nc1nc(NCCCn2ccnc2)cc(C2CC(O)C2)n1 223839477 KWPMWGYKOOSRIY-UHFFFAOYSA-N 288.355 0.996 0 50 CCAA O=S(=O)(N[C@@H]1COCC[C@H]1Oc1ccccn1)C1CC1 222811410 SVWBHFJQQHFHNL-VXGBXAGGSA-N 298.364 0.700 0 50 CCAA O=C(NCc1ccoc1)c1cnc2c(O)cccn2c1=O 426490698 YHTADQWMJVMFRO-UHFFFAOYSA-N 285.259 0.923 0 50 CCAA CC(C)O[C@H]1CN(C(=O)NCc2cccnc2)C[C@@H]1O 426503685 UBNYVAWQRUYNMY-STQMWFEESA-N 279.340 0.761 0 50 CCAA COC[C@@H](N)C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 92107026 MFELUABSRPOMLD-CYBMUJFWSA-N 291.351 0.144 0 50 CCAA CCOCCN1CCN(Cc2c(C)cnn2C)C[C@H](O)C1 97732657 KMPRJEQNDPIHJB-CQSZACIVSA-N 296.415 0.244 0 50 CCAA C[C@H](CCS(C)(=O)=O)NC(=O)c1cccnc1S 162548867 ZPTNDFOXVDSNEC-MRVPVSSYSA-N 288.394 0.923 0 50 CCAA CN(C)CCOC1CCN(C(=O)CCc2cn[nH]c2)CC1 244748510 OIZRFDFHLYSYCJ-UHFFFAOYSA-N 294.399 0.912 0 50 CCAA O=C(CCO)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252536858 JRLUXPNVQMBORP-DVOMOZLQSA-N 291.347 0.932 0 50 CCAA CCOC(=O)[C@@]12CNC(=O)[C@@H]1CN(Cc1ccccc1)C2 601014160 AEIQIDJIDDKKDS-XJKSGUPXSA-N 288.347 0.798 0 50 CCAA CC(=O)N1CCN(C(=O)NCCc2cccn2C)CC1 534663322 FFSCIYSVNRCULC-UHFFFAOYSA-N 278.356 0.441 0 50 CCAA CC[C@@H](CNC(=O)C1(C)COC1)N1CCOCC1 534654251 AITDVUMFLRDHQV-NSHDSACASA-N 256.346 0.250 0 50 CCAA O=C(NCC1CCN(CCCCO)CC1)c1ccon1 828747957 ORDXBDBVNHCPTQ-UHFFFAOYSA-N 281.356 0.889 0 50 CCAA CN(CC1(CO)CCCC1)S(=O)(=O)N1CCCC1 828686782 VJVKLZCYBXGWLM-UHFFFAOYSA-N 276.402 0.812 0 50 CCAA C[C@H]1CCCCN1CC(=O)NCC1CCN(CCO)CC1 828759868 ZLUFWFRHOSYSAS-AWEZNQCLSA-N 297.443 0.681 0 50 CCAA CC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)[C@H]1CCC(=O)N1)C2 1875340349 XCVVKIUVSYMVLW-YVECIDJPSA-N 293.367 0.028 0 50 CCAA CCc1n[nH]cc1NC(=O)[C@H](O)c1cn(C)nc1C 1875329488 ZBFOHBPWRZIXQW-LLVKDONJSA-N 263.301 0.686 0 50 CCAA CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N(C)C)C2)n1 1875402029 YUCDWEPTNQLMQG-LLVKDONJSA-N 277.372 0.593 0 50 CCAA Cc1nc(C)n(CCCNC(=O)[C@H](C)Cn2cccn2)n1 952974943 XIMFRBHNXDIFNT-LLVKDONJSA-N 290.371 0.934 0 50 CCAA CC(=O)N1C[C@@H](NS(C)(=O)=O)CC[C@@H]1C(F)(F)F 886033088 BKSHPKIDIHUPKV-JGVFFNPUSA-N 288.291 0.477 0 50 CCAA Cn1cc(C(=O)N2CCOc3ccccc3[C@H]2CO)cn1 887107591 LDZJSJBIHOPZTR-CYBMUJFWSA-N 287.319 0.988 0 50 CCAA COc1cc(Cl)c(CN2C[C@H](N)[C@@H](O)C2)c(OC)c1 1565509968 YKCZZRINDBLPRP-RYUDHWBXSA-N 286.759 0.861 0 50 CCAA Cc1cc(N2C[C@H]3CCN[C@H]3C2)nc(N2CCOCC2)n1 1565515064 YSIAAPLOSCODNG-OLZOCXBDSA-N 289.383 0.420 0 50 CCAA CC(=O)N1CC(C(=O)N2CCC[C@H]2CCCO)C1 408288124 VPQZGLFSSXMTQK-LBPRGKRZSA-N 254.330 0.228 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)CC[C@@H]1CCO1 408521902 AFAQAIKIVYUDMY-VXGBXAGGSA-N 268.357 0.929 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)O)C2)c1 547941684 ZBBRHWRSLWKBAL-NXEZZACHSA-N 299.352 0.772 0 50 CCAA CCCCc1cc(NC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)[nH]n1 170607972 LWYGRZXMTBKEMQ-UWVGGRQHSA-N 280.328 0.724 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)CCOC1CCOCC1 188917353 XXPQHYFNFWKAJJ-NSHDSACASA-N 284.356 0.309 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1nc(C(C)C)no1 643826760 ULUPSCVPJCPWQN-CYBMUJFWSA-N 282.344 0.659 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)CC(F)(F)F)C1 644034075 HZZHFGMWUFJUPG-SNVBAGLBSA-N 282.262 0.428 0 50 CCAA CCn1nccc1[C@H]1NC(=O)CC[C@H]1NC1CC(OC)C1 656857748 QZQVFOCBFVVKLW-KQFUTBAXSA-N 292.383 0.990 0 50 CCAA C=CC(=O)N(C)CC(=O)NC1(C(=O)OCC)CCCC1 1351363298 FUJIWYJJGOJPQC-UHFFFAOYSA-N 282.340 0.623 0 50 CCAA CCn1c(NCC(=O)N(C)C)nc2cc(C(=O)O)cnc21 1506424316 KNHWYJYZHSYWEW-UHFFFAOYSA-N 291.311 0.650 0 50 CCAA CC(C)CN1CCN(CCc2nccn2C)C[C@H]1CCO 1529172457 HYHQHYJSYKBISX-OAHLLOKOSA-N 294.443 0.987 0 50 CCAA Cc1ncnc(N2CCN(c3n[nH]c(=N)s3)CC2)c1C 1857667764 JKUJQKUMPFIAOB-UHFFFAOYSA-N 291.384 0.684 0 50 CCAA O=C(O)[C@H]1CN(CCO)C[C@@H]1c1cccc(F)c1 220175488 ZJGOSVBSIQPJDX-NEPJUHHUSA-N 253.273 0.918 0 50 CCAA Cc1[nH]ncc1C(=O)N1CCOC[C@H]1CC(=O)O 128207542 SXRMPQZLMHKOPN-MRVPVSSYSA-N 253.258 0.034 0 50 CCAA Cc1cnn(CCC(=O)N2CCC[C@@H]2C(=O)O)c1 237797220 LKCPLGISXKPYST-SNVBAGLBSA-N 251.286 0.657 0 50 CCAA CCOC(=O)c1cnc(N2CCCCC2)[nH]c1=O 13483872 ZFXRWQJOGNFOMI-UHFFFAOYSA-N 251.286 0.937 0 50 CCAA in-vitro COC(=O)COc1ccc2c(c1C)OCC(=O)N2 670425884 GOWRHCWJKFLIBN-UHFFFAOYSA-N 251.238 0.878 0 50 CCAA N[C@@H](CCc1ccccc1)C(=O)N1CCC[C@@H](N)C1 1615615975 WAZLKYDIOQRQFQ-KGLIPLIRSA-N 261.369 0.896 0 50 CCAA O=C1[C@H](NC(=O)C2(C(=O)O)CC2)CCN1CC(F)(F)F 154886024 OJKBREDRHDPAPB-ZCFIWIBFSA-N 294.229 0.131 0 50 CCAA O=C(O)C[C@H]1CN(C(=O)CCC2CCOCC2)CCO1 262823928 RKPMIISNXABLOH-LBPRGKRZSA-N 285.340 0.895 0 50 CCAA COCCN1CCN(C(=O)c2nsnc2C)CC1 1775980979 FKLYHTUYTXIVHW-UHFFFAOYSA-N 270.358 0.251 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cncc(F)c2)C1 644040119 WWCFFCLLWIYHCR-AWEZNQCLSA-N 295.314 0.324 0 50 CCAA COc1ccccc1CC(=O)N1CCOC[C@@H]1CC(=O)O 129422763 VGRNWIYVXXCJQM-LBPRGKRZSA-N 293.319 0.940 0 50 CCAA NC(=O)c1c[nH]c(C(=O)NCC[C@@H]2CCCNC2)c1 262610555 DXAMUSIEPBTPQO-VIFPVBQESA-N 264.329 0.233 0 50 CCAA Cn1nc(C(=O)N2CCC(CCC(=O)O)CC2)cc1O 902059522 VTZJAAYNXDSWDK-UHFFFAOYSA-N 281.312 0.843 0 50 CCAA CC1(C)NCC[C@@H]1NCc1cc(=O)n2ccccc2n1 904220949 HFLWNNOABPBCKF-LBPRGKRZSA-N 272.352 0.925 0 50 CCAA COc1cncc(N2CCN(Cc3cnn(C)n3)CC2)c1 931210005 BJIYZKXPRMFADK-UHFFFAOYSA-N 288.355 0.541 0 50 CCAA COC[C@H](O)CN(C)S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 220260972 WISLKIUWYDVOAG-GRYCIOLGSA-N 294.417 0.148 0 50 CCAA CNC(=O)[C@H]1CCCN(C(=O)Cc2cccc(N)c2)C1 232275703 RRWKSYIAVHRWFP-LBPRGKRZSA-N 275.352 0.796 0 50 CCAA CCCCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10331852 QQAYNQVZTHQSNB-UHFFFAOYSA-N 291.417 0.421 0 50 CCAA O=C(c1ncccc1O)N1CCN2C(=O)CC[C@@H]2C1 168577311 SAYKLESVWOSWGA-SECBINFHSA-N 261.281 0.234 0 50 CCAA C[C@@H](NC(=O)Cn1cc(Br)cn1)C(=O)O 261537684 WDMDLBUMMFFIOA-RXMQYKEDSA-N 276.090 0.235 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)CC[C@@H]1CCOC1 332720553 YIGSAAIYGJWNEI-HBNTYKKESA-N 254.330 0.586 0 50 CCAA CC[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@@H]1O 378329582 OHDWAAUGSQTIGD-MNOVXSKESA-N 250.346 0.817 0 50 CCAA Cc1nc(Cn2cc(S(C)(=O)=O)cn2)oc1C 901608131 UVTNIDVQAVKBIT-UHFFFAOYSA-N 255.299 0.940 0 50 CCAA NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 94082 UQDYTVXVSIXGOC-UHFFFAOYSA-N 262.290 0.834 0 50 CCAA S=C(NCCc1ccccn1)NCCN1CCOCC1 19857705 UEMWBDCIRGHWIT-UHFFFAOYSA-N 294.424 0.420 0 50 CCAA O=S(=O)(N[C@H]1c2ccccc2OC[C@H]1CO)C1CC1 907955058 YMEQVTKIHKLDQM-NOZJJQNGSA-N 283.349 0.810 0 50 CCAA CNC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 581140 NARQQSXCZXIHCH-UHFFFAOYSA-N 284.337 0.401 0 50 CCAA CCOC(=O)[C@H](NC(C)=O)[C@@H](O)c1cccc(N)c1 2907423 KORALONGOVHBBY-NEPJUHHUSA-N 266.297 0.370 0 50 CCAA Cc1cc(C)cc(OC[C@@H](O)CN(CCO)CCO)c1 2940835 MUWPQNNPDWAEST-AWEZNQCLSA-N 283.368 0.330 0 50 CCAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cc[nH]n2)CC[C@@H]1O 2356167943 JPDVMMMJQUWJEV-GXFFZTMASA-N 281.312 0.488 0 50 CCAA COCCNS(=O)(=O)c1cc(F)ccc1F 6726534 XLLDKTRQTJJHBQ-UHFFFAOYSA-N 251.254 0.890 0 50 CCAA Cc1ccc2oc(N3CCN4CCNC(=O)[C@H]4C3)nc2c1 106266734 BBKRULAVALTKEK-GFCCVEGCSA-N 286.335 0.757 0 50 CCAA C[C@H](NC(=O)Cc1ccn[nH]1)C(=O)N1CCCCC1 124288477 MPWBWYZVWJYGRQ-JTQLQIEISA-N 264.329 0.469 0 50 CCAA CC(=O)NCCNc1nc(N(C)C)nc(C)c1C 32561100 SQGGWWBIJUHAFG-UHFFFAOYSA-N 251.334 0.707 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cnn[nH]1 219942408 PUQAWOONPUIGPK-MWLCHTKSSA-N 289.295 0.166 0 50 CCAA O=C(c1nc2ccc(Cl)cn2c1F)N1CC(O)C1 215014843 HZSJXLLGTNPZTJ-UHFFFAOYSA-N 269.663 0.944 0 50 CCAA Cn1cc(CN2CC[C@H](C(=O)N3CCCC3)C2)nn1 329381287 QFYGPTDYACBVBA-NSHDSACASA-N 263.345 0.259 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCC[C@](O)(Cn2ccnn2)C1 284480076 AVDUFLOJENXFSU-CQSZACIVSA-N 289.339 0.582 0 50 CCAA CC[C@H]1CN(C(=O)Cc2cncn2C)C[C@]2(CCOC2)O1 526034514 SRVBOVGBABPOJG-ZFWWWQNUSA-N 293.367 0.759 0 50 CCAA Cc1cnc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cn1 332212581 JJVCGAYKDYCVRD-STQMWFEESA-N 276.340 0.330 0 50 CCAA O=C(NCCn1ncnn1)[C@H]1C[C@]12CCOc1ccccc12 332728299 UXBYSYKSRSDQGU-DOMZBBRYSA-N 299.334 0.530 0 50 CCAA Cn1ccnc1CN(C(=O)Cc1cnccn1)C1CC1 223956986 MWKWRZNQENAOTJ-UHFFFAOYSA-N 271.324 0.944 0 50 CCAA CNCC(=O)N(C)C[C@@H]1COc2ccccc2O1 40420129 HFONDWNGKZAAEK-SNVBAGLBSA-N 250.298 0.504 0 50 CCAA O=C(Cc1nc2ccccc2[nH]1)NCCn1cncn1 426370147 UXWINJFJZWUJDF-UHFFFAOYSA-N 270.296 0.513 0 50 CCAA Cn1cccc1CCC(=O)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 426521555 XOIORFDELJADTN-NEBZKDRISA-N 292.379 0.548 0 50 CCAA CCCN1CCC(CC(=O)N[C@@H](C)c2nnn[nH]2)CC1 95382213 RNFYJRAKBSYLCM-JTQLQIEISA-N 280.376 0.889 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1c1nc(-c2ccccc2)no1 91872081 GFTXBQWUGLWUJX-MNOVXSKESA-N 287.323 0.389 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)c2ccc[nH]c2=O)C1 91594601 PKUYZVJCHMOBRW-HNNXBMFYSA-N 294.351 0.626 0 50 CCAA O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1cnccn1 94102961 CGQKASZDESQLCV-LBPRGKRZSA-N 298.350 0.913 0 50 CCAA O=C(CNC(=O)c1ccc2nccnc2c1)NC1CC1 97637848 YFMJMLLDPDZCFV-UHFFFAOYSA-N 270.292 0.638 0 50 CCAA NC(=O)[C@@H](O)C1CCN(C[C@H](O)c2ccc(F)cc2)CC1 299747965 FPGOSBNVPZTOMR-KBPBESRZSA-N 296.342 0.417 0 50 CCAA O=C(CNC[C@@H]1CCCO1)N1CCO[C@H]([C@H]2CCCO2)C1 299739854 SFYMLVXOGMIDBB-MJBXVCDLSA-N 298.383 0.161 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CC1(O)CCCCC1 299742711 IPNHDSQNLFACBG-ZJUUUORDSA-N 272.320 0.496 0 50 CCAA CCOc1ccc(C(=O)N2CCOC[C@@H]2C(=O)O)cn1 299748642 HTUKICYYBNVVQE-SNVBAGLBSA-N 280.280 0.406 0 50 CCAA Nc1ncc(/C=C/C(=O)NCc2ccccn2)cn1 828026965 XNLLUHIVMWPPDR-SNAWJCMRSA-N 255.281 0.783 0 50 CCAA O=C(NCc1ccccc1-n1ccnc1)[C@@H]1C[C@@H](O)CN1 828901695 YAEGXVXPJFMZJK-OLZOCXBDSA-N 286.335 0.211 0 50 CCAA COCC[C@H]1CN(S(=O)(=O)CC(C)C)CCO1 824384107 GPAGDOSCTDMLKC-NSHDSACASA-N 265.375 0.710 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1c(C)ncn1C 584902124 UZKVFWRHQGYYOE-QWRGUYRKSA-N 266.345 0.177 0 50 CCAA Cc1ccn(CC(=O)N2[C@H]3CC[C@H]2CN(C)C3)c(=O)c1 585134363 PLUVAJRRVJWANZ-STQMWFEESA-N 275.352 0.462 0 50 CCAA CCN1C[C@H](CN(C)C(=O)C2(C)COC2)CC1=O 670437790 BQNHGEJMUOCZSB-JTQLQIEISA-N 254.330 0.350 0 50 CCAA CS(=O)(=O)CC1(C(=O)N2CC[C@H](C3CC3)C2)COC1 1548677958 BSGZHTYHISNANY-NSHDSACASA-N 287.381 0.306 0 50 CCAA CC(=O)NCc1nc([C@H]2CN3CCC[C@H]3CO2)no1 1875269622 YIMGXYIAXWHSKZ-VHSXEESVSA-N 266.301 0.241 0 50 CCAA O=S(=O)(NCc1n[nH]c2c1COCC2)C1CC1 1875297961 JSNXCQWSCFKWAR-UHFFFAOYSA-N 257.315 0.064 0 50 CCAA O=C(Cc1cnns1)N[C@H]1CCOC[C@@H]1N1CCCC1 1875397017 HVVOQEUSDDMQSJ-RYUDHWBXSA-N 296.396 0.450 0 50 CCAA COc1cccc(NC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)n1 952881913 SNGULZBANRTJNC-OCCIGCLGSA-N 281.337 0.827 0 50 CCAA Cc1cccc(C(=O)NCCn2ccc(O)nc2=O)c1C 952993282 GANGJHHYVOWVKG-UHFFFAOYSA-N 287.319 0.996 0 50 CCAA CC1=C(C(=O)N[C@@H]2CCCCNC2=O)OCCO1 952965295 CPHIXOBVYOOQBG-SECBINFHSA-N 254.286 0.050 0 50 CCAA NC(=O)c1noc([C@@H]2CCCN2CCCn2ccnc2)n1 886044705 ZLTPPEOMECLOSN-JTQLQIEISA-N 290.327 0.592 0 50 CCAA CN(CCN1CCOCC1)[C@@H]1Cc2ccccc2[C@H]1O 252511639 IZLMUVQGPNKVDN-HZPDHXFCSA-N 276.380 0.909 0 50 CCAA CC[C@H](N)C(=O)N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 166610499 YXIFGJXAZBAKSK-KKUMJFAQSA-N 296.459 0.741 0 50 CCAA Cc1nnc(Cn2cnc3onc(C)c3c2=O)s1 631017450 HJVJLLCUPGGEMN-UHFFFAOYSA-N 263.282 0.901 0 50 CCAA COC[C@H](C)N[C@H]1CCCN(c2nccn(C)c2=O)C1 275655384 UQXDITRTTMZQQA-RYUDHWBXSA-N 280.372 0.374 0 50 CCAA Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C(C)(C)C)c(O)n1 170594775 UMXKTJQHMJVSEC-SNVBAGLBSA-N 295.339 0.557 0 50 CCAA CC(C)=CCOC(=O)c1c[nH]nc1S(N)(=O)=O 585138188 UGKXKGQCRWHFNZ-UHFFFAOYSA-N 259.287 0.180 0 50 CCAA CC(C)n1ccc(CC(=O)N2CCN3CCOC[C@H]3C2)n1 754460124 MIVMLIXIEMYDQP-CQSZACIVSA-N 292.383 0.550 0 50 CCAA CC(C)c1ncc(C(=O)N[C@H]2CC[C@H](N)C2)c(O)n1 1073263515 XVNQUXCNCXQFCW-IUCAKERBSA-N 264.329 0.915 0 50 CCAA Cc1cc(C)n(CCN2CCC[C@](O)(CC(N)=O)C2)n1 643805176 FGDPNZWMMOZOLC-AWEZNQCLSA-N 280.372 0.202 0 50 CCAA COc1nc(C)cc(N2CC(N3CCNC3=O)C2)n1 577696880 PDIIEVJFIBYRPR-UHFFFAOYSA-N 263.301 0.007 0 50 CCAA Cc1cc(C)n(C[C@H](C)NCCCc2nn[nH]n2)n1 1506414822 SKFJRQAHBFSVHV-JTQLQIEISA-N 263.349 0.624 0 50 CCAA Cc1ncnc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)c1C 1704301183 NYTHPCGDEKASOD-TZMCWYRMSA-N 285.351 0.923 0 50 CCAA COCCCNC(=O)C(=O)Nc1ccc(F)cc1 2852179 YTPQXYJLOPNQBU-UHFFFAOYSA-N 254.261 0.917 0 50 CCAA COc1nc(N2CCC[C@H](C(N)=O)C2)ncc1F 1704324746 DXLGQODGZUHAPL-ZETCQYMHSA-N 254.265 0.326 0 50 CCAA Cc1nc(NC[C@H](O)CO)ccc1Br 232176338 NLZRJJWQVLEIJV-ZETCQYMHSA-N 261.119 0.918 0 50 CCAA CCOC[C@H]1CCCCN1C(=O)Cn1nc(C)oc1=O 640398430 JIFLUSSOLSXQIL-LLVKDONJSA-N 283.328 0.562 0 50 CCAA O=C(C[C@H]1CCCCO1)N1CC[C@](F)(C(=O)O)C1 263250437 HDJYDMVJPQSFQP-BXKDBHETSA-N 259.277 0.971 0 50 CCAA O=C(NC[C@H](O)Cn1ccnn1)c1ccc(Cl)o1 1615590264 JQWITXXWQPRKNY-ZETCQYMHSA-N 270.676 0.315 0 50 CCAA CC(=O)NCCN(C)C(=O)C[C@@H](NC1CC1)C(F)(F)F 1615552267 UHIKBJMXDCUILN-SNVBAGLBSA-N 295.305 0.654 0 50 CCAA O=C(CN1CCOC(=O)N1)Nc1ccc(F)cc1F 1616037677 AWGAUQMSZGXZRI-UHFFFAOYSA-N 271.223 0.860 0 50 CCAA COC(=O)N1CCN(C[C@H]2CCC(=O)N(C)C2)CC1 1775982598 AMFRUJQVTJXHOO-NSHDSACASA-N 269.345 0.239 0 50 CCAA Cn1ccnc1C(=O)N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1 1857734291 HMQSAIQSRPSDCS-AVGNSLFASA-N 290.367 0.402 0 50 CCAA Oc1n[nH]c([C@H]2CCCN(CCN3CCOCC3)C2)n1 329611363 CFYDIEGIOAUOKY-NSHDSACASA-N 281.360 0.022 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 239254652 YOOFQLMTHFOERW-PUHVVEEASA-N 275.260 0.646 0 50 CCAA in-vitro Cc1nc2ccc(N3CC[C@@H]4CCN(C)C[C@@H]43)nn2n1 253417024 ALHQEHRXOPWDEF-RYUDHWBXSA-N 272.356 0.963 0 50 CCAA CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@H](C(=O)O)C1 262957849 NQLIZSCKSXUBLI-QMMMGPOBSA-N 277.342 0.133 0 50 CCAA CC(C)(CO)NC(=O)[C@H]1COc2ccccc2O1 307781 JZDINPFYHHVWCQ-LLVKDONJSA-N 251.282 0.714 0 50 CCAA COCc1nc(C(=O)Nc2nnnn2C)cs1 904200628 UZEOGHKSCBUFPQ-UHFFFAOYSA-N 254.275 0.065 0 50 CCAA Cc1cc(NC(=O)C[C@@H](O)CN)ccc1N1CCOCC1 1218873426 IIQNVYIKSVUYQC-CYBMUJFWSA-N 293.367 0.480 0 50 CCAA CN(C)c1ccc(C(=O)N[C@@H]2CCOC[C@H]2O)cn1 222945391 FSRBOXNGHCELJR-GHMZBOCLSA-N 265.313 0.027 0 50 CCAA Cc1n[nH]c(C)c1CN(C)[C@H]1CCN(S(C)(=O)=O)C1 292867069 VYMVDAJIPUGUKH-NSHDSACASA-N 286.401 0.492 0 50 CCAA O=C(O)C[C@H]1COCCN1CCCn1cccn1 97514301 PSLJKXNXCDVWMF-NSHDSACASA-N 253.302 0.449 0 50 CCAA O=C(c1csc(C2CC2)n1)N1C[C@H](O)C[C@@H]1CO 359545401 ITVXTSNRLWPOHG-RKDXNWHRSA-N 268.338 0.588 0 50 CCAA CO[C@@H]1CN[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)C1 583618406 UGTUXMMIIMHZCT-IUCAKERBSA-N 292.261 0.761 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@@H]1CCCN1c1ncccn1 2325733497 UVJCVIDMDHHNIN-QWRGUYRKSA-N 278.312 0.282 0 50 CCAA O=C(O)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 49742 HINOXWVZGLPOED-PSASIEDQSA-N 251.238 0.705 0 50 CCAA Cn1c(=O)c2cn(-c3ccccc3O)cc2n(C)c1=O 317308 NFADQTVASGAJHQ-UHFFFAOYSA-N 271.276 0.734 0 50 CCAA CC(C)Cn1c(=O)c2c(nc3n2CCS3)n(C)c1=O 323577 QEIQMWDDDVQPTQ-UHFFFAOYSA-N 280.353 0.658 0 50 CCAA Cc1noc(CN2CCC[C@@]23CCCN(CCO)C3=O)n1 2356163518 HFUAZCDISBGLFY-CQSZACIVSA-N 294.355 0.327 0 50 CCAA O[C@]1(CN2CCCN(Cc3ccncc3)CC2)CCNC1 107114502 WGFJGYBKAGJRDU-MRXNPFEDSA-N 290.411 0.314 0 50 CCAA C[C@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@@H](C)N1 247447017 YMIINHOWGYUTAM-AXFHLTTASA-N 253.346 0.064 0 50 CCAA O=c1cnccn1Cc1ccc(Cn2ccncc2=O)cc1 347910130 BECZRXPUZVYURL-UHFFFAOYSA-N 294.314 0.897 0 50 CCAA O=C(N[C@@H]1CC[S@](=O)C1)N[C@@H]1CCO[C@H]1C1CC1 332757272 QDGONMBKCBSZSK-ACQVZOFHSA-N 272.370 0.374 0 50 CCAA CCN(CC)Cc1cnc2c(C(=O)NCCO)cnn2c1 67856893 PWVAORBJXODGDT-UHFFFAOYSA-N 291.355 0.293 0 50 CCAA COc1nccnc1N1CCOC[C@H](CN(C)C)C1 1506421568 IXASJIATCQNTBU-LLVKDONJSA-N 266.345 0.500 0 50 CCAA CS(=O)(=O)CC1(Cn2nnc(C3CC3)n2)CC1 329228880 CEMXKPVRZAVXIT-UHFFFAOYSA-N 256.331 0.375 0 50 CCAA CCN1CN(C(=O)c2nnc3ccccc3n2)CC1=O 329595917 VQBUQFOQMPBRFQ-UHFFFAOYSA-N 271.280 0.287 0 50 CCAA CC(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CNCCO2)cc1 152004892 LKLNWNSZDHWHBD-LSDHHAIUSA-N 291.395 0.914 0 50 CCAA Cc1cc(=O)c(CO)nn1C[C@H]1CCO[C@@H](C)C1 330063330 QAAVKIVLRJWDHD-QWRGUYRKSA-N 252.314 0.859 0 50 CCAA CCC(=O)N1CC[C@@H](C(=O)N2CC(OC(F)F)C2)C1 437596347 XDNKGDHSFYAFMU-MRVPVSSYSA-N 276.283 0.695 0 50 CCAA C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H]1CCC(=O)NC1=O 152118872 ILJSJRMMRDCEFH-MXWKQRLJSA-N 282.340 0.503 0 50 CCAA Cc1cnc(N)c(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)c1 362129275 KPSMEYOMDWWBFP-VIFPVBQESA-N 299.352 0.458 0 50 CCAA O=C(NC[C@@H]1CNCCO1)c1scnc1C1CC1 520796519 QXCSMFIMUGJBAR-VIFPVBQESA-N 267.354 0.739 0 50 CCAA CC[C@H]1c2cccn2CCN1S(=O)(=O)N1CCOCC1 72368847 MLYMVDMIMWDVND-LBPRGKRZSA-N 299.396 0.832 0 50 CCAA CN1C[C@@H](C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)CC1=O 262847414 WCKFKSZNRAHMBM-QMMMGPOBSA-N 294.311 0.120 0 50 CCAA O=C(CCN1CCOC[C@@H](O)C1)NCc1ccc(F)cc1 77406420 GTHJVAYZHCZYMW-AWEZNQCLSA-N 296.342 0.525 0 50 CCAA C[C@@]1(C(=O)O)CCN(C(=O)Cn2nnc3ccccc32)C1 237647574 FHOFPODYMBQIOS-CQSZACIVSA-N 288.307 0.755 0 50 CCAA O=C(O)CCCC(=O)N1CCC(N2CCC[C@H](O)C2)CC1 70638772 UMPGJOAVYFHEKW-ZDUSSCGKSA-N 298.383 0.689 0 50 CCAA Cc1noc([C@H]2CN(CCc3ccnn3C)CCN2C)n1 285087964 YKSDTDJWWDRKJI-CYBMUJFWSA-N 290.371 0.643 0 50 CCAA O[C@@]1(Cn2ccnn2)CCCN(Cc2ccccn2)C1 285451829 JRBNHFIROQINCX-AWEZNQCLSA-N 273.340 0.700 0 50 CCAA COC[C@@H]1CN(C(=O)c2cc[nH]n2)CC(C)(C)O1 285680369 ZTWLHQBINUDEJA-VIFPVBQESA-N 253.302 0.676 0 50 CCAA CC[C@@H]1CN2CCC[C@H]2CN1C(=O)CCc1cn(C)nn1 611694807 CMXVZZFFNMBFFP-KGLIPLIRSA-N 291.399 0.833 0 50 CCAA O=C1N[C@@H](C(=O)NCCc2cc[nH]n2)Cc2ccccc21 426492759 GYGVRVNNDSWQNF-CYBMUJFWSA-N 284.319 0.423 0 50 CCAA Cc1cc(C)nc(CCNC(=O)[C@@H](C)N(C)C)n1 426405749 QFEFHIBUTSAIJZ-LLVKDONJSA-N 250.346 0.702 0 50 CCAA O=c1c2cc(F)ccc2ncn1CCOCCO 43027649 OMGMDTPNPNJEEU-UHFFFAOYSA-N 252.245 0.545 0 50 CCAA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1cnn[nH]1 222796386 CZOLSRFKWJWXFE-GHMZBOCLSA-N 289.295 0.166 0 50 CCAA CNC(=O)[C@H](C)CNC(=O)c1cnc(-c2ccccn2)nc1 426632875 LJMLDTLJALNQCP-SNVBAGLBSA-N 299.334 0.651 0 50 CCAA Cc1cccc(=O)n1CCC(=O)NCc1ccon1 97425219 IDMJVDURPVSLBN-UHFFFAOYSA-N 261.281 0.851 0 50 CCAA O[C@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)NC(=S)N1 95918511 KTMKCFQWNNBDGJ-ZXZARUISSA-N 284.181 0.356 0 50 CCAA CCCn1cnnc1[C@@H](C)NC(=O)N(C)CCC(=O)NC 426478628 AIIZKMMSFSEQMU-SNVBAGLBSA-N 296.375 0.527 0 50 CCAA NC(=O)[C@@H]1CCCN(CCNc2nnc(C3CC3)o2)C1 91364715 PSZQECSCVVVEEV-SNVBAGLBSA-N 279.344 0.556 0 50 CCAA C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@H](C)C(=O)O 299751899 SGFDBDXBIHZALF-UTLUCORTSA-N 259.302 0.550 0 50 CCAA COc1cccc(OCCNC(=O)[C@@H]2C[C@H]2C(=O)O)c1 299747953 FNUWPECBAQNAGP-VXGBXAGGSA-N 279.292 0.911 0 50 CCAA Cc1cc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)on1 299776422 KPDKNQURDYWXQW-QWHCGFSZSA-N 275.312 0.920 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2n[nH]nc2C)n1 299797883 PCLVTSMMWNLFJR-MRVPVSSYSA-N 262.317 0.745 0 50 CCAA c1nc(N2CCN(Cc3nc[nH]n3)CC2)c2cc[nH]c2n1 651455878 BJXISOQCNBCSQV-UHFFFAOYSA-N 284.327 0.398 0 50 CCAA Cc1ncc(CN2CCC(=O)N(CCN(C)C)CC2)n1C 823698110 BHNGRYYDGMJPEZ-UHFFFAOYSA-N 293.415 0.324 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)NCCc1csc(N)n1 827628039 LXRFRKQHMJQBFV-VIFPVBQESA-N 279.369 0.917 0 50 CCAA Cc1nn(CCO)c(C)c1CN(C)Cc1ncon1 670442954 MCWYPKVKVQNTOA-UHFFFAOYSA-N 265.317 0.507 0 50 CCAA C[C@]1(C(=O)NCCCN2CCC(O)CC2)CCCCO1 584890465 XJKMAOFNUWJSHB-OAHLLOKOSA-N 284.400 0.909 0 50 CCAA Cc1nc(N2CCN3C(=O)OC[C@H]3C2)c2cnn(C)c2n1 670449178 VPADBXPLEFZOPQ-SECBINFHSA-N 288.311 0.313 0 50 CCAA CCCn1nccc1C(=O)NCCN1CCCC[C@H]1CO 670474137 LHCMVXOZKLHFTA-ZDUSSCGKSA-N 294.399 0.870 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](Cc1ccnnc1)C(=O)O 685944057 ZADFWYUYRKLANC-VIFPVBQESA-N 267.285 0.997 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cn(C(C)C)nn1 1875273171 CVMKEWKRQAJMFM-SNAWJCMRSA-N 252.274 0.318 0 50 CCAA COC(=O)/C=C/CNC(=O)c1coc(S(C)(=O)=O)c1 1875272954 MCUFGJGGSDKZDM-ONEGZZNKSA-N 287.293 0.142 0 50 CCAA CN(Cc1ccc(O)c(F)c1)C[C@H](O)CN1CCOCC1 874435473 UVMNFJMFSDYUEQ-ZDUSSCGKSA-N 298.358 0.656 0 50 CCAA CC(C)C[C@H](C)OC(=O)N1CC2(C[C@@H](O)CNC2=O)C1 952884212 WAZIQZCAZBURPU-WDEREUQCSA-N 284.356 0.740 0 50 CCAA Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)Nc1ccnnc1 888100986 LMGWINRQFPBFAQ-GHMZBOCLSA-N 288.311 0.862 0 50 CCAA CS(=O)(=O)N1CCCN(C[C@@H](O)c2ccccc2)CC1 244659768 HIJNFFJMWMCYPV-CQSZACIVSA-N 298.408 0.687 0 50 CCAA CN1C[C@@H](c2ccnc(N3CCCC3)n2)C2(CNC2)C1 1775956241 FTDSYJYLZZRMRM-LBPRGKRZSA-N 273.384 0.695 0 50 CCAA COc1ccc(C(=O)N2CC[C@@](OC)(C(=O)O)C2)c(O)c1 630255968 NZDHUMJUNUYPQO-AWEZNQCLSA-N 295.291 0.717 0 50 CCAA CN(C)c1nc(N)nc(CN2CCC3(CCC3)C2)n1 170662465 SJYSQAVLOWMWNV-UHFFFAOYSA-N 262.361 0.896 0 50 CCAA C[C@]1(F)CCN(C(=O)c2ccc3c(c2)B(O)OC3)C1 584969885 QJHGLRUPELLZPP-ZDUSSCGKSA-N 263.077 0.478 0 50 CCAA C[C@H](Cc1ccccn1)NC(=O)c1ccc2c(c1)B(O)OC2 585004657 KDHWJANDHXQEDI-LLVKDONJSA-N 296.135 0.660 0 50 CCAA O=C1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CO1 585087044 DAKIGKBSPHDZPR-VXGBXAGGSA-N 294.351 0.314 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)Nc1ccc(F)cn1 644318267 OCQHDBJHGSLSJZ-SNVBAGLBSA-N 281.287 0.533 0 50 CCAA CC[C@@H]1CN(CCNC(=O)c2cnn3c2CCC3)CCO1 562710052 KBQNTQXNWRAVLW-GFCCVEGCSA-N 292.383 0.670 0 50 CCAA CCNS(=O)(=O)[C@@H]1CCN(Cc2ccnc(N)c2)C1 193466968 WNILWFJTQVUFFL-LLVKDONJSA-N 284.385 0.177 0 50 CCAA Cn1cc(CNC(=O)c2cc(O)nc(C3CC3)n2)cn1 654584380 OWYOBAJFLIAJIX-UHFFFAOYSA-N 273.296 0.723 0 50 CCAA Cc1cc(O)nc(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c1 408053644 ILEWUBCVCBXZQX-NXEZZACHSA-N 250.298 0.985 0 50 CCAA CCC(CC)(CNC(=O)c1cnn(C)n1)C(=O)O 306084904 GAJZAPFKINQPHP-UHFFFAOYSA-N 254.290 0.436 0 50 CCAA Cc1nc(C)c(S(=O)(=O)NC[C@H](C)C(=O)O)s1 547546173 WBTRFJLSLANELZ-YFKPBYRVSA-N 278.355 0.759 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)Nc1n[nH]cc1Cl 1875275699 VWFXWWHYPWXFAN-UHFFFAOYSA-N 275.721 0.906 0 50 CCAA CCn1cc(CC(=O)N2C[C@@H]3CCC[C@]3(N)C2)nn1 1615555061 XHTBTOFUCFPXBS-GWCFXTLKSA-N 263.345 0.180 0 50 CCAA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1 18277046 GLOOJKUWIGSFGC-UHFFFAOYSA-N 253.283 0.447 0 50 CCAA O=C(c1cccc(F)c1)N1CCN(CCO)CC1 19911442 QWZQHEGZUCPJTA-UHFFFAOYSA-N 252.289 0.576 0 50 CCAA Cc1nc(CCNC(=O)C[C@@H]2NC(=O)NC2=O)sc1C 155878515 JWJBEARJDBOKET-QMMMGPOBSA-N 296.352 0.017 0 50 CCAA CCCO[C@@H]1CC[C@H](C(=O)NCCn2ccnn2)C[C@H]1N 1857718499 XAOZKQKRZJWOPX-YNEHKIRRSA-N 295.387 0.317 0 50 CCAA Cc1nc(C)c(C)c(N2CC[C@](O)(Cn3ccnn3)C2)n1 671465937 BHKGJAWRLRXTEP-CQSZACIVSA-N 288.355 0.635 0 50 CCAA COC(=O)c1cnc(C(=O)N2CCN(C3CC3)CC2)cn1 611534775 XZXALQZKAJNQLM-UHFFFAOYSA-N 290.323 0.183 0 50 CCAA C[C@H]1CCc2c(sc3ncn(C[C@@H](O)CO)c(=O)c23)C1 2889570 IQZZQILIOMSESF-DTWKUNHWSA-N 294.376 0.936 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)NCCc1cccnc1 818710710 HHHQNAKBYZZKQY-CYBMUJFWSA-N 291.351 0.114 0 50 CCAA CC(C)(C)c1nnc(CN[C@H]2C(=O)NCC2(C)C)o1 931669196 ULQWZOYOBZSIFA-VIFPVBQESA-N 266.345 0.981 0 50 CCAA COc1cc(C(=O)N2CCO[C@@]3(CCOC3)C2)ncn1 935434728 ROAUWRVYEYISDN-ZDUSSCGKSA-N 279.296 0.117 0 50 CCAA Cc1[nH]ncc1C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 285877601 RRSOUJYCOWWEDN-NEPJUHHUSA-N 264.329 0.263 0 50 CCAA CN1CCN(Cc2ccncc2Cl)C[C@@H]1C(=O)O 67773837 HIAHMUYCTHZHNE-LLVKDONJSA-N 269.732 0.936 0 50 CCAA O=C1CCCN1CC(=O)N1CC[C@@]2(CCCNC2)C1 67739894 IWHIZGPYPMOKCU-CQSZACIVSA-N 265.357 0.211 0 50 CCAA COCC1(O)CCN(CC(=O)N2CCCC2)CC1 408011551 XTIXDCANJYRQCF-UHFFFAOYSA-N 256.346 0.082 0 50 CCAA CC[C@H](NC(=O)N1CCO[C@@H](C(=O)O)C1)C(F)(F)F 669504385 TXWXHJMBNGLEQI-RQJHMYQMSA-N 284.234 0.822 0 50 CCAA CNC[C@@H](C)N=c1[nH]c(=Nc2ccccc2)c2nc[nH]c2[nH]1 2325799943 AIOHRZRWXUSYAU-SNVBAGLBSA-N 297.366 0.960 0 50 CCAA NS(=O)(=O)[C@H]1CCCN(Cc2n[nH]c3c2CCC3)C1 2325809865 VVMFWTSKJVFOQP-VIFPVBQESA-N 284.385 0.151 0 50 CCAA C[C@@H](F)CNC(=O)CSc1ncnc2[nH]cnc12 2325815466 KRWOWUNVBWCPTM-ZCFIWIBFSA-N 269.305 0.919 0 50 CCAA C[C@@H](O)CN(C)C(=O)C[C@@H]1NC(=O)c2ccccc21 897308904 OHSGBMCBJACPFE-SKDRFNHKSA-N 262.309 0.700 0 50 CCAA Cc1nccc(NC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)n1 930835760 CPAMBHKLWLIGDG-GHMZBOCLSA-N 289.339 0.870 0 50 CCAA Cn1c(=O)c2c(nc(NCc3ccco3)n2C)n(C)c1=O 378862 NSUKHHHURKZKGK-UHFFFAOYSA-N 289.295 0.176 0 50 CCAA Cc1nn(C)c(C(=O)N2CCOCC2)c1Br 2767309 WVFVKFKVERLYFG-UHFFFAOYSA-N 288.145 0.963 0 50 CCAA Cc1ccccc1C(=O)NCCNC(=O)c1nonc1N 2866783 XMRJHHBORFYYOH-UHFFFAOYSA-N 289.295 0.120 0 50 CCAA COCCOCC(=O)Nc1ccc2c(c1)C(=O)NC2=O 2879356 PTKMAYZSEAKHGL-UHFFFAOYSA-N 278.264 0.172 0 50 CCAA CSC(C)(C)[C@H](N)C(=O)NCCN=c1cc[nH]cc1C 2356166694 JRBAQJXCXNBSPC-GFCCVEGCSA-N 296.440 0.809 0 50 CCAA CSC(C)(C)[C@H](N)C(=O)NCCOc1nonc1C 2356168749 DUFCIDSPKMVDLM-MRVPVSSYSA-N 288.373 0.342 0 50 CCAA Cc1nn(C[C@H](O)CO)c2[nH]c3ccccc3c(=O)c12 4674246 TXCKXHMVJXTXTK-VIFPVBQESA-N 273.292 0.539 0 50 CCAA Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC(C)C 8791925 QCOGMSICKACXNP-UHFFFAOYSA-N 275.312 0.640 0 50 CCAA biogenic CN(C)c1cnn(CCN2C[C@H]3CC[C@H]2C3)c(=O)c1 102431980 RQKDIEJOMDVIIV-RYUDHWBXSA-N 262.357 0.794 0 50 CCAA CN1CCN(C[C@H](O)COc2ccccc2F)CC1 20295294 KFWBSDDHURYSQJ-LBPRGKRZSA-N 268.332 0.813 0 50 CCAA Nc1cc(N2CCN(Cc3ccccc3)C[C@H](O)C2)ncn1 108276088 NAJUSJMTIFHUMZ-AWEZNQCLSA-N 299.378 0.742 0 50 CCAA O=C(NCc1ccccc1-n1ccnc1)c1c[nH]c(=O)cn1 67490283 ZOJWNCUSVCLBBA-UHFFFAOYSA-N 295.302 0.886 0 50 CCAA CCc1nnc2ccc(N(C)[C@H](C)C[S@@](C)=O)nn12 252533036 FTRKKJAZJQFVNQ-AYLIAGHASA-N 281.385 0.890 0 50 CCAA CCCc1cc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)no1 82106321 OOLLOAKKTYEBDV-UWVGGRQHSA-N 268.313 0.300 0 50 CCAA Cn1cnnc1SCCNC(=O)Cc1cccnc1 215402003 POOZUXUDUOHPIJ-UHFFFAOYSA-N 277.353 0.661 0 50 CCAA CO[C@@H](C)C(=O)NC1CCC(NC(=O)[C@H](C)OC)CC1 330437156 PSOWXORRVFAZAW-JYBOHDQNSA-N 286.372 0.600 0 50 CCAA Cc1cc(C)c(C(=O)NCCOc2nonc2C)c(=O)[nH]1 216265940 FGLODVMAFYPPLA-UHFFFAOYSA-N 292.295 0.492 0 50 CCAA C[C@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H](C)N1 154285720 WYZBFBMYOKBKDX-UWVGGRQHSA-N 263.345 0.364 0 50 CCAA Nc1nnc(CCCNC(=O)c2cn[nH]c2)s1 216244130 DANGSXVGWIQXEY-UHFFFAOYSA-N 252.303 0.206 0 50 CCAA O=C(NC[C@@H]1CCNC[C@H]1O)C1(N2CCCC2)CCCC1 72146836 BXRXKPITMRGNKE-UONOGXRCSA-N 295.427 0.482 0 50 CCAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CC[C@@H](O)C1 216350236 LFRAFQZRRHCULH-SNVBAGLBSA-N 250.298 0.209 0 50 CCAA CC[C@@]1(O)CCN(c2nccnc2N2CCCC2)C[C@H]1O 72421671 ORBUEKUMASHUGH-IUODEOHRSA-N 292.383 0.789 0 50 CCAA CC[C@H](NC(=O)Cn1nc(C)cc1N)[C@H]1C[C@@H](O)C1 223277088 OWTYLGPRHYBRHM-DCAQKATOSA-N 266.345 0.439 0 50 CCAA COc1ccnc(CN(C)C(=O)[C@H](C)N(C)C)c1 426535220 RXWSKVUOWQVVBL-JTQLQIEISA-N 251.330 0.999 0 50 CCAA O=C(C[C@H]1CCOC1)NCc1nnnn1-c1ccccc1 426470626 MAJUSISIFUILQZ-LLVKDONJSA-N 287.323 0.705 0 50 CCAA O=C(C1=C(O)c2ccccc2S1(=O)=O)N1CCOCC1 45068863 DZRJMWITPQSUSA-UHFFFAOYSA-N 295.316 0.559 0 50 CCAA O=C(C[C@H]1CCNC1)NCc1cn2ccccc2n1 427323555 XZLONOVQMSCBKE-LLVKDONJSA-N 258.325 0.950 0 50 CCAA Cc1c[nH]c(C(=O)N2C[C@H](CO)C[C@H](CN(C)C)C2)n1 91593917 WMJJKYKTLSLPKX-VXGBXAGGSA-N 280.372 0.350 0 50 CCAA O=C(O)C12C3[C@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 239563238 ZGOHSJGPNWPPHD-OJEJGULLSA-N 299.120 0.699 0 50 CCAA CC[C@]1(CO)CCCN(C(=O)Cc2cnc[nH]c2=O)C1 91381377 XRUXZBQJPOLNKI-AWEZNQCLSA-N 279.340 0.324 0 50 CCAA Cn1c(=O)n(C)c2cc(NC3=CC(=O)NC3)ccc21 524734002 LPSLYEMTTSQHBJ-UHFFFAOYSA-N 258.281 0.303 0 50 CCAA NC(=O)[C@@H](O)C1CCN(C[C@@H](O)Cc2ccccc2)CC1 299752757 VIWUXWLTNDVEDS-GJZGRUSLSA-N 292.379 0.148 0 50 CCAA Cc1cc(C(=O)N[C@@H](C)CN2CCOCC2)c(O)cn1 534644876 RRRXPZXLANNETR-NSHDSACASA-N 279.340 0.546 0 50 CCAA C[C@@H]1CCc2[nH]nc(C(=O)NCc3nc(N)n[nH]3)c2C1 534666966 ULCZWNBWKDOWON-ZCFIWIBFSA-N 275.316 0.165 0 50 CCAA CC(C)c1nc(CN2Cc3[nH]cnc3C[C@H]2C(=O)O)no1 534631040 KKMWORXBMWTAHZ-JTQLQIEISA-N 291.311 0.928 0 50 CCAA Nc1n[nH]c(CNC(=O)C2(N3CCCC3)CCCC2)n1 534640034 RSEFCDUJOQWWOV-UHFFFAOYSA-N 278.360 0.412 0 50 CCAA O=C(c1cc(C2CC2)[nH]n1)N1CCN2C(=O)OC[C@H]2C1 371990813 GYONWHGGCKCGCS-SECBINFHSA-N 276.296 0.564 0 50 CCAA COCCN1C(=O)N(CC(C)C)C(=O)C12CCNCC2 299771530 QICUSTNMSRBXDS-UHFFFAOYSA-N 283.372 0.675 0 50 CCAA O=C1N[C@H](C(=O)NCC2CCOCC2)Cc2ccccc21 299778114 OXKDLGKQJMTUJA-AWEZNQCLSA-N 288.347 0.884 0 50 CCAA O=C(CCn1cnnn1)NCCCc1ccccc1F 827822300 FELDMRWJEFVJJO-UHFFFAOYSA-N 277.303 0.951 0 50 CCAA COc1ccc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)cc1O 665343907 ZIIYNATXDIFQRG-IAQYHMDHSA-N 293.319 0.934 0 50 CCAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](O)C2 823033060 GTIYFXUWRJSMMM-VIFPVBQESA-N 251.330 0.845 0 50 CCAA CCC[C@@H](CNS(=O)(=O)N1CCCC1)N(C)C 822790906 RVBZNZCFDUTJLO-NSHDSACASA-N 263.407 0.647 0 50 CCAA Cc1csc(CN(C)C(=O)[C@H]2CCC(=O)NC(=O)N2)n1 584894670 KYGNGOMVFKXHTA-MRVPVSSYSA-N 296.352 0.398 0 50 CCAA Cc1nccnc1C(=O)NCc1c[nH]nc1[C@@H]1CCNC1 952850732 PMHVORMPNZBSMK-SNVBAGLBSA-N 286.339 0.515 0 50 CCAA CCOC(=O)[C@H](O)Cn1cc(-c2ccccc2C=O)nn1 1875367291 OKNJDPXSWFBGBJ-CYBMUJFWSA-N 289.291 0.682 0 50 CCAA C=CC(=O)NCC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C 1875301339 GGCNJGBRQCOXRA-XCBNKYQSSA-N 280.246 0.467 0 50 CCAA CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(N)nc1 952995816 ZWQXUOKSYILLQG-CQSZACIVSA-N 281.356 0.846 0 50 CCAA C=CC(=O)N[C@@H](C(=O)N1CCOCC1)c1ccccc1 888102412 WUEPCQZIWIAIGZ-CQSZACIVSA-N 274.320 0.889 0 50 CCAA COc1nscc1Cn1ncnc1S(C)(=O)=O 1412929611 VKHHXGGAQLJHGU-UHFFFAOYSA-N 274.327 0.195 0 50 CCAA Cc1cc(C)n(C[C@H]2CN([C@H]3CCOC3=O)CCO2)n1 247102017 IGWXXLQZRWWXJG-OLZOCXBDSA-N 279.340 0.516 0 50 CCAA CC(C)CO[C@@H]1CCN(c2ccc3nnnn3n2)C1 301665305 ZRUPCXWLJXTQAZ-SNVBAGLBSA-N 262.317 0.771 0 50 CCAA O=C(NCc1ccc(CO)c(F)c1)[C@H]1CCOC1 170855126 PFCCLSXETIOLKV-NSHDSACASA-N 253.273 0.971 0 50 CCAA COC(=O)[C@@H]1CCn2c(nnc2C(=O)NC(C)C)C1 601045285 UXQURXUXLQOUCG-MRVPVSSYSA-N 266.301 0.152 0 50 CCAA CN(Cc1nc[nH]n1)C(=O)c1onc2c1CCCC2 668996150 ROVMNCPPKADQLG-UHFFFAOYSA-N 261.285 0.944 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1C[C@H]2COCC[C@H]2C1 585004436 DUIFKZVYJWECOI-AAEUAGOBSA-N 287.124 0.013 0 50 CCAA Cc1cncc(CN2CCC[C@](O)(c3cnn[nH]3)C2)c1 794042961 PHPFUMHCLBBZNZ-CQSZACIVSA-N 273.340 0.992 0 50 CCAA CC[C@]1(C)COCCN1S(=O)(=O)c1cn(C)cn1 408084893 UTIMKFWVSQGBKK-LLVKDONJSA-N 273.358 0.610 0 50 CCAA Cc1noc(C)c1CC(=O)N(CCO)Cc1ncc[nH]1 1704325942 PMECNJHMZIEIGE-UHFFFAOYSA-N 278.312 0.578 0 50 CCAA C[C@H]1C[C@]12NC(=O)[C@H](CCOC(C)(C)C)NC2=O 1857532764 RRBMZAPXPXAUBS-RVBZMBCESA-N 254.330 0.585 0 50 CCAA COCC(=O)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 11949476 IPFZDHCTMIOIRW-LBPRGKRZSA-N 280.299 0.689 0 50 CCAA O=C(O)CN1C(=O)[C@H]2Cc3ccccc3CN2C1=O 15971217 HPJNUJAVYOHFGY-SNVBAGLBSA-N 260.249 0.460 0 50 CCAA CS(=O)(=O)c1ccc(NC(=O)c2c[nH]nn2)cc1 159116809 FCQYIDCHKGVPJS-UHFFFAOYSA-N 266.282 0.461 0 50 CCAA COC(=O)[C@H](c1ccccc1)N1CC2(CNC(=O)N2C)C1 1857687331 SGGSZQNMFHGOBE-LBPRGKRZSA-N 289.335 0.610 0 50 CCAA Cn1c(NC(=O)Cc2cccc(F)c2)cc(=O)n(C)c1=O 1875249779 AKQFZFYPCAZTRS-UHFFFAOYSA-N 291.282 0.404 0 50 CCAA O=C1CN(C(=O)CN2CC[C@@H](O)C2)c2ccccc2N1 114485901 LQPBDISTQIFOAV-SNVBAGLBSA-N 275.308 0.038 0 50 CCAA CC(=O)N(C)Cc1nc(-c2ccc3nn[nH]c3c2)no1 350492454 AQWNUTFZMHKRCY-UHFFFAOYSA-N 272.268 0.986 0 50 CCAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N(CCO)CCOCCO 585123860 HUUYIQLEXOQXEF-IHRRRGAJSA-N 285.384 0.643 0 50 CCAA Cc1ccc(S(=O)(=O)NC2CC2)cc1C(N)=O 4851837 PLXFAOAYEPZFSK-UHFFFAOYSA-N 254.311 0.535 0 50 CCAA C=CC(=O)N(C)CC(=O)Nc1ccc(N(C)C)cn1 858866115 URGAVQDUWMSHDO-UHFFFAOYSA-N 262.313 0.731 0 50 CCAA Cc1nc[nH]c1CN1CCN(c2ncccn2)CC1 23282118 DGSHKDFBBOLMEG-UHFFFAOYSA-N 258.329 0.830 0 50 CCAA CO[C@H]1COCC[C@@H]1N=c1nn[nH]n1-c1ccccc1 384023487 PZQVLWQBXBNFAM-RYUDHWBXSA-N 275.312 0.300 0 50 CCAA CC[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C 193529 SBKPFMGFBDGZAH-LURJTMIESA-N 268.342 0.851 0 50 CCAA NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 993502 KYCGMLPXHVMDAN-UHFFFAOYSA-N 268.216 0.835 0 50 CCAA in-vivo Cn1nnc([C@@H]2CN(CCCC(F)(F)F)CCO2)n1 2356143844 AMIRJYQBCWQOCL-QMMMGPOBSA-N 279.266 0.926 0 50 CCAA NS(=O)(=O)c1ccc(CNC(=O)c2ccncc2)cc1 3413554 SHWHMZSGCWODCZ-UHFFFAOYSA-N 291.332 0.659 0 50 CCAA COc1cccc(CN2CCN(CCO)C[C@H]2CCO)c1 104546495 IWTDPKMJKCKXIB-OAHLLOKOSA-N 294.395 0.556 0 50 CCAA Cc1n[nH]c(SCC(=O)NC[C@@H]2CCCO2)n1 22542604 IZGVLYLWKRDUDM-QMMMGPOBSA-N 256.331 0.500 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CCO1 117636759 DSJCOZHWSPRCQI-YFKTTZPYSA-N 265.309 0.901 0 50 CCAA O=C(c1cn(C[C@H]2CCCNC2)nn1)N1CC=CC1 65405063 WPHPYTTWWSYTIG-NSHDSACASA-N 261.329 0.290 0 50 CCAA COC[C@H](O)CCN[C@@H]1CCCc2nn(C)cc21 331080334 LJMQUPHCCANFNG-ZYHUDNBSSA-N 253.346 0.785 0 50 CCAA Cn1cc(CCNC(=O)N[C@H]2CCN3CCCC[C@@H]23)cn1 229187908 FUKIVJOHMLMBHJ-KBPBESRZSA-N 291.399 0.889 0 50 CCAA CCCC(=O)N1CCO[C@H](CN(C)CC(=N)O)C1 328629817 IRFVSABBMBOYDO-SNVBAGLBSA-N 257.334 0.481 0 50 CCAA CC(C)n1nccc1C(=O)Nc1cnn(CC(N)=O)c1 151857458 JFWSNEVSPXTUOA-UHFFFAOYSA-N 276.300 0.398 0 50 CCAA COCCn1nnc2c1CCN(C(=O)[C@@H]1[C@H]3CCC[C@H]31)C2 329268483 GLMVCUYZUVHEBP-YABSGUDNSA-N 290.367 0.855 0 50 CCAA CS(=O)(=O)NCc1ccc(CN2CCCC2=O)cc1 71375597 VXSITMUSPRCTJG-UHFFFAOYSA-N 282.365 0.858 0 50 CCAA C[C@H](CN(C)c1cc(C(N)=O)ccn1)N1CCOCC1 32578152 IADCBDNSRIYDDP-LLVKDONJSA-N 278.356 0.337 0 50 CCAA Cc1noc(C)c1S(=O)(=O)NCc1ncnn1C(C)C 330915466 UKPZBLGJRJGSLR-UHFFFAOYSA-N 299.356 0.942 0 50 CCAA CN(C)S(=O)(=O)NCc1noc2ccccc12 330946342 ANHGPWGDBSKIOI-UHFFFAOYSA-N 255.299 0.724 0 50 CCAA CS(=O)(=O)NCCN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 337317360 YVOMWKMSBFWPOJ-XQQFMLRXSA-N 290.429 0.551 0 50 CCAA CO[C@@H]1CN(S(=O)(=O)c2sccc2Cl)C[C@H]1O 332653302 MUDFWJDGBHFMIJ-HTQZYQBOSA-N 297.785 0.782 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)Cn2cc(C3CC3)nn2)C1 238088417 XODJAOBGXBXLGU-VIFPVBQESA-N 264.285 0.089 0 50 CCAA O=C(C(=O)N1C[C@@H]2CNC[C@@H]2C1)N1CC(C2CCCC2)C1 335378446 NKAYVYIBBDCUPV-BETUJISGSA-N 291.395 0.313 0 50 CCAA COC(=O)[C@H](NC(=O)[C@H](N)CC(F)F)C(C)C 336721921 SOQGJAPSTSHMBN-HTRCEHHLSA-N 252.261 0.283 0 50 CCAA C[C@](O)(C(=O)NCCC(=O)NCc1cccnc1)C1CC1 286905610 JXQSQLMMJUCBQU-OAHLLOKOSA-N 291.351 0.365 0 50 CCAA Nc1nnc([C@@H](NC(=O)CCO)c2ccccc2)s1 222310870 WHZKQUZHJLDWCF-JTQLQIEISA-N 278.337 0.708 0 50 CCAA CCNC(=O)N1CCN(C)[C@]2(CCNC(=O)CC2)C1 92046329 HXHZRDYTJWPPRJ-CYBMUJFWSA-N 268.361 0.002 0 50 CCAA Cc1cccnc1[C@H](NC(=O)CN(C)CCO)C1CC1 426547598 IXPHEAHRFNLDLY-OAHLLOKOSA-N 277.368 0.881 0 50 CCAA Cc1cnc(N)nc1N1CCC[C@](O)(CN(C)C)C1 91526661 FCJIWOIDCSTYCM-ZDUSSCGKSA-N 265.361 0.260 0 50 CCAA Cc1cc(C)nc(CNC(=O)C[C@@H]2CN(C)CCN2C)n1 244601780 DRQCPLGZZALMFP-CYBMUJFWSA-N 291.399 0.346 0 50 CCAA Cc1n[nH]c([C@@H]2CCCN2CC(=O)Nc2ccn(C)n2)n1 244673567 HRRYMDORAWJPHM-JTQLQIEISA-N 289.343 0.622 0 50 CCAA COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2)cc1F 299747724 DVKSJBRFVCYQRU-KOLCDFICSA-N 268.288 0.173 0 50 CCAA CO[C@]1(C)C[C@@H](NC(=O)[C@H]2COCCN2)C1(C)C 299739283 MUJRZYOMZLHQPE-GIPNMCIBSA-N 256.346 0.295 0 50 CCAA Cc1nc(CCNC(=O)C[C@H]2CNCCO2)sc1C 269247299 FBDIHDULSJOGKZ-NSHDSACASA-N 283.397 0.797 0 50 CCAA CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCO)C1 263623467 HSGKQKOQAGZFSJ-VIFPVBQESA-N 279.358 0.403 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCN2CCC[C@@H](CO)C2)o1 299797879 CUZCPQBRVAWBAF-GFCCVEGCSA-N 294.351 0.382 0 50 CCAA CC(C)n1cnnc1[C@H](C)NC(=O)CCC(=O)O 299769022 IBXBJSSQSWSBGU-QMMMGPOBSA-N 254.290 0.901 0 50 CCAA C[C@H]1C(=O)N(C)CCN1C(=O)Nc1ccnn1CC1CC1 299776981 IYJYSTXUOLYGHF-JTQLQIEISA-N 291.355 0.988 0 50 CCAA O=c1[nH]nc(CNc2cc([C@@H]3CCOC3)ncn2)[nH]1 299767853 WGZCKXQYWQVZEY-SSDOTTSWSA-N 262.273 0.004 0 50 CCAA C=CC(=O)N1CCS(=O)(=O)c2ccccc2C1 863971021 BIVHIZOLPOZORM-UHFFFAOYSA-N 251.307 0.989 0 50 CCAA CCCc1cnc(NC[C@@H]2CN(C)C(=O)CO2)nc1 823012022 FITMGNGETQTLGX-LLVKDONJSA-N 264.329 0.698 0 50 CCAA CN1CCN(C(=O)CCc2cccc(O)c2)C[C@@H]1CCO 584897385 JMOFOAMLUDQMIJ-AWEZNQCLSA-N 292.379 0.850 0 50 CCAA O=C(CCO)N1CCCN(C(=O)c2ccsc2)CC1 902814873 FBRCMUITSIZGMW-UHFFFAOYSA-N 282.365 0.805 0 50 CCAA CO[C@@H]1CCOC[C@H]1n1cnc2cccnc2c1=O 584896228 BJHGMOKMHKRHAH-GHMZBOCLSA-N 261.281 0.768 0 50 CCAA O=c1c2cc(F)ccc2ncn1C[C@H](O)CN1CCCC1 584888015 KCDKVEVVUQOIIV-GFCCVEGCSA-N 291.326 0.992 0 50 CCAA Cc1nc2[nH][nH]cc-2c(=N[C@@H]2CCN(CC(C)(C)O)C2)n1 1875286937 NXVHHOTWRLYPRH-SNVBAGLBSA-N 290.371 0.292 0 50 CCAA O=C(NOC[C@H]1CCOC1)[C@H]1CCCc2ccnn21 1875283409 RNAXTBKJHBBLSB-CMPLNLGQSA-N 265.313 0.845 0 50 CCAA Cc1cnc(S(=O)(=O)Cc2ncnn2C(C)C)[nH]1 1875280332 UJPWWEHAOFRPFK-UHFFFAOYSA-N 269.330 0.864 0 50 CCAA CCOC(=O)C(=O)N1CCN(C(=O)C2=CC(C)(C)C2)CC1 1875275522 ICQXBKBNTJFXCO-UHFFFAOYSA-N 294.351 0.577 0 50 CCAA CN[C@@H](CC(C)(C)C)C(=O)NS(=O)(=O)[C@H](C)COC 1875291120 NYARPRMJBXPTOF-ZJUUUORDSA-N 294.417 0.492 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@H]1CCCc2nccn21 1875377361 YCPJHKDJXCOECQ-RPTYSRGTSA-N 262.357 0.995 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCc2nncn2CC)CC1 1875369417 MWXSBCCKWCUXCD-UHFFFAOYSA-N 291.355 0.339 0 50 CCAA CN1CCC[C@H]1CN=c1ccc2ncnc(O)c2[nH]1 1875308123 ZLIRIDJBNSXPGD-VIFPVBQESA-N 259.313 0.658 0 50 CCAA CCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1cn[nH]c1 270173623 FIYDZPULAYAABX-SCZZXKLOSA-N 282.369 0.898 0 50 CCAA CC(C)n1nnc(-c2ccc(C(=O)N(C)CCO)cc2)n1 888105553 PFHDCJSLIBQQRG-UHFFFAOYSA-N 289.339 0.985 0 50 CCAA CC[C@H]1[C@H](NC(=O)CN2CCOCC2)[C@H]2CCO[C@@H]12 1565517016 FQWRFRSQHFIRAC-XCCSTKFXSA-N 268.357 0.248 0 50 CCAA O=C(c1ccon1)N1CCC[C@@H](c2nnc(O)o2)C1 407999782 VUGOQAKTUHTZGQ-SSDOTTSWSA-N 264.241 0.783 0 50 CCAA Cc1nc(CNC(=O)N2CCC[C@](C)(O)C2)no1 408054200 YHLYFNIMTSZPKO-NSHDSACASA-N 254.290 0.434 0 50 CCAA CN(Cc1cn(C)nc1C(F)F)[C@@H]1CCS(=O)(=O)C1 170598063 LXDVVZPJTDBZGG-SECBINFHSA-N 293.339 0.977 0 50 CCAA CN(C)CC1(NC(=O)c2ccc3c(c2)COB3O)CCC1 584985822 SBOHZOATFOUJMX-UHFFFAOYSA-N 288.156 0.118 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1C[C@@H]2CCOC[C@H]2C1 585004438 DUIFKZVYJWECOI-WCQYABFASA-N 287.124 0.013 0 50 CCAA CCOCCCNC(=O)C(F)C(=O)NCCCOCC 585089584 ZAXOFPCXKUFAOD-UHFFFAOYSA-N 292.351 0.410 0 50 CCAA CCOC(=O)c1n[nH]c([C@H](C)NC(=O)c2cccn2C)n1 585131304 RIDDKGUQFDDASQ-QMMMGPOBSA-N 291.311 0.811 0 50 CCAA CCN1CN(C(=O)N[C@H](C)C(C)(C)CN(C)C)CC1=O 195580057 HGEXUWBCNKDWIL-LLVKDONJSA-N 284.404 0.794 0 50 CCAA Cc1ccc(N2CCCN(C(=O)[C@@H](O)C3CC3)CC2)nn1 668333505 SFOTVDIMFBEWCK-AWEZNQCLSA-N 290.367 0.595 0 50 CCAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)[C@H]1CCCN1 1506396568 JVSHRVZFRCTNTG-SNVBAGLBSA-N 274.284 0.683 0 50 CCAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)NCCC(=O)O 1506400025 SLOBIPFKXDDALO-SNVBAGLBSA-N 299.371 0.750 0 50 CCAA COCCN1CC[C@H](CN(C)CCN2CCCC2=O)C1 1506408818 XLRPWRPOVSNGAN-CQSZACIVSA-N 283.416 0.509 0 50 CCAA CC(=O)c1ccc(C(=O)N2C[C@H]3[C@H](C2)C3(CO)CO)s1 1857709355 SLTLIZCQRRBSHZ-UWVGGRQHSA-N 295.360 0.624 0 50 CCAA COC(=O)CN(C)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 12387259 IUQVGWPUPNUEHB-LLVKDONJSA-N 296.367 0.799 0 50 CCAA COCCCn1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 13815667 FVVKLDBSBYGCGY-UHFFFAOYSA-N 291.311 0.021 0 50 CCAA Cc1cc(=O)[nH]c(N2CCN(c3ncccn3)CC2)n1 18247534 OWLAVUQZADZISZ-UHFFFAOYSA-N 272.312 0.195 0 50 CCAA Cn1ccnc1CCNC(=O)[C@@H]1CCn2nccc2C1 1857713926 XPCOWGKMVTUSRW-LLVKDONJSA-N 273.340 0.538 0 50 CCAA O=C(O)[C@]12COC[C@H]1CN(Cc1cccc(O)c1)C2 665343666 PXOBTXSMINVZAL-BXUZGUMPSA-N 263.293 0.925 0 50 CCAA NC(=O)CSc1nc2ccc(Cl)cc2c2nnnn12 252494520 NXULLQMYJKLVMV-UHFFFAOYSA-N 294.727 0.903 0 50 CCAA CC[C@H]1C(=O)NCCN1Cc1ccc(-c2nn[nH]n2)o1 825176444 TUTUTGFEXUPCLW-VIFPVBQESA-N 276.300 0.170 0 50 CCAA CN(CC(=O)NC(N)=O)C1CCN(CC(F)(F)F)CC1 930666408 UJDZQIVZJSNGOO-UHFFFAOYSA-N 296.293 0.140 0 50 CCAA NC(=O)[C@](O)(CN1CCO[C@@H](C2CC2)C1)c1ccccc1 851950895 AKTUBWBSSMXECM-ZBFHGGJFSA-N 290.363 0.470 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCCC[C@@H]1C(=O)OCC 858928136 SBPVHEDSJOEGCA-LLVKDONJSA-N 282.340 0.575 0 50 CCAA CCN(C)S(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)O)C1 263168006 JAQNGBYBWAGROK-RKDXNWHRSA-N 264.347 0.226 0 50 CCAA Cn1nnnc1CN1CCC[C@](O)(C(F)(F)F)C1 408220247 URWRJXKLMCHVBK-MRVPVSSYSA-N 265.239 0.099 0 50 CCAA O=C(CCn1ccnc1)NCC1(CO)CCOCC1 534591613 JHHHFNSFCJARGD-UHFFFAOYSA-N 267.329 0.179 0 50 CCAA CN1C[C@H](C(=O)NCc2nn[nH]n2)Cc2ccccc21 2325733290 FVNSEKYMBOPESA-SNVBAGLBSA-N 272.312 0.125 0 50 CCAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)C1=O 4960 FQMSSTZJKSWSMP-LLVKDONJSA-N 261.277 0.777 0 50 CCAA COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1 470917 NVHXZHYKRHGBOM-UHFFFAOYSA-N 298.364 0.594 0 50 CCAA O=C1COc2ccc(S(=O)(=O)N3CCOCC3)cc2N1 4576829 HFFBMAYNZQTWGC-UHFFFAOYSA-N 298.320 0.038 0 50 CCAA C/C(Cl)=C/CON1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 105203697 WLTQHCQYBWQRBA-FCNCAQQRSA-N 269.684 0.999 0 50 CCAA O=S1(=O)C[C@H](N2CCOCC2)[C@]12C[C@H]1CC[C@H]2C1 101094003 WMRMKRNQLFZEAN-ZDEQEGDKSA-N 271.382 0.674 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 10302467 KIIMOGAGGFUJHT-LLVKDONJSA-N 274.386 0.671 0 50 CCAA CCc1noc(CC)c1CN1C(=O)[C@H]2COCCN2C1=O 348940070 NMEMNDKAJBJILX-LLVKDONJSA-N 293.323 0.962 0 50 CCAA Cc1nc(N)nc(NC[C@H]2CN(C)C(=O)CO2)c1Cl 1506396708 JPGJWUXBKOHDOC-ZETCQYMHSA-N 285.735 0.290 0 50 CCAA COc1cc(N2C(=O)CN(CC(C)C)C2=O)ncn1 328594712 ACMOTQZXGKEVCV-UHFFFAOYSA-N 264.285 0.910 0 50 CCAA CC(C)c1ncc(C(=O)N[C@@H]2CC[C@@H](N)C2)c(=O)[nH]1 67883654 XVNQUXCNCXQFCW-RKDXNWHRSA-N 264.329 0.503 0 50 CCAA CCN1CCO[C@H](CCNC(=O)C(=O)c2ccco2)C1 67946445 AMHLBXLYPAULCA-LLVKDONJSA-N 280.324 0.689 0 50 CCAA COc1cccc([C@@H](C)C(=O)N[C@H]2CNC(=O)C2)c1 330895977 SIXAMKZOIGKLFL-MWLCHTKSSA-N 262.309 0.803 0 50 CCAA CC1(C)CN(C[C@@H](O)Cn2cccn2)[C@@H]2COC[C@@H]21 333108325 RNTSBKZPNBSCMZ-FRRDWIJNSA-N 265.357 0.601 0 50 CCAA Cc1nn(CCO)cc1CN1CCC2(CC1)CNC(=O)C2 77505353 GQEWVHJRFNPUCY-UHFFFAOYSA-N 292.383 0.286 0 50 CCAA C[C@H]1CNCCN1C(=O)[C@H]1Cc2cccc(F)c2O1 126386793 ANYDEZQHWONQBL-JOYOIKCWSA-N 264.300 0.950 0 50 CCAA COCCS(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 132753454 KNWJOQLAIFPDMI-GFCCVEGCSA-N 286.353 0.511 0 50 CCAA CN(Cc1cnn(C)c1)C(=O)[C@H]1CCc2cncn2C1 334171816 BBMXREXBXRLTIJ-LBPRGKRZSA-N 273.340 0.838 0 50 CCAA CC(C)NC(=O)c1ccnc(N2CCN[C@H](C(=O)O)C2)c1 71749320 FEWYXBGUPHIHHG-NSHDSACASA-N 292.339 0.083 0 50 CCAA CCCn1cnc2c1c(=O)n(C[C@@H](O)CC)c(=O)n2C 156586237 JLIOMWOCOVMYOT-VIFPVBQESA-N 280.328 0.078 0 50 CCAA Cn1cnc2cc(CN[C@H]3COC[C@H]3n3ccnn3)ccc21 284586730 IXISLMCKHDEJJF-DZGCQCFKSA-N 298.350 0.895 0 50 CCAA Cc1cc(C(F)(F)F)nc(N2CCN[C@@H](C(N)=O)C2)n1 374952465 LTKQFPQYWCXRQT-SSDOTTSWSA-N 289.261 0.067 0 50 CCAA O=C(Nn1cnnc1)[C@@H]1CCCN1C(=O)C1CCCCC1 71416135 APVMITPXKMPALG-LBPRGKRZSA-N 291.355 0.920 0 50 CCAA CCCc1nc(C)c(CNC(=O)[C@@H](N)CO)s1 220021655 MFMKEUOODDHXMB-QMMMGPOBSA-N 257.359 0.340 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cn1cc(C)cn1 223288755 NCINXBQXFVCHLN-UNJBNNCHSA-N 279.340 0.358 0 50 CCAA C[C@@H]1CN(C(=O)C(C)(C)N)CC[C@@]1(O)C1CCOCC1 91829305 FRKLMSKMSHZSNU-ABAIWWIYSA-N 284.400 0.750 0 50 CCAA Cc1nccnc1CN1C[C@@H]2CN(C)C[C@]2(C(=O)O)C1 96164996 AZZWSQFNPDVUDC-FZMZJTMJSA-N 276.340 0.233 0 50 CCAA O=c1nc(CN2CCC(F)(c3ccccn3)CC2)[nH][nH]1 295130852 CJESVCQCKDRPIS-UHFFFAOYSA-N 277.303 0.954 0 50 CCAA CCOCc1nc([C@H]2CCOC2)nn1CC(=O)O 97527380 XDZMSWBZRKIRDS-QMMMGPOBSA-N 255.274 0.403 0 50 CCAA Cc1cc(C(=O)N2CCCS2(=O)=O)cc(O)n1 180360146 XUWCJODMIHQAMH-UHFFFAOYSA-N 256.283 0.271 0 50 CCAA O=C(Nc1ccc(F)nc1)N1CCOC[C@@H](O)C1 95520716 ZUVCHKXMFUAGII-VIFPVBQESA-N 255.249 0.446 0 50 CCAA CCc1nccn1CC(=O)N1CCCC[C@H]1C(=O)NC 252481577 COIQNKZVOQRHTK-NSHDSACASA-N 278.356 0.573 0 50 CCAA CC[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)O 299740853 BRDJCESEEORLJF-JTQLQIEISA-N 279.292 0.980 0 50 CCAA COc1cccc2sc(NC(=O)[C@H]3C[C@@H](O)CN3)nc12 299751661 RFEHPTPZPCOWIL-HTQZYQBOSA-N 293.348 0.966 0 50 CCAA CCN1CCC[C@H](CN2CCN(CCC(=O)O)CC2)C1 823109861 DCTUPCRJLQKPRH-AWEZNQCLSA-N 283.416 0.811 0 50 CCAA CN1CC2(CCN([C@H]3CCSC3)CC2)OCC1=O 670434677 NKDALKPTONGOCD-NSHDSACASA-N 270.398 0.815 0 50 CCAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cnn[nH]1 584891227 HEVRBEOAXRITRF-SNVBAGLBSA-N 291.355 0.668 0 50 CCAA Cc1ncn(CCNC(=O)CCCN2CCOCC2)c1C 584899328 ITNPQFQSSKBTTD-UHFFFAOYSA-N 294.399 0.729 0 50 CCAA O=C(CCn1cnnn1)NCc1ccc2nsnc2c1 670454868 HJRSLAFVEVEOBY-UHFFFAOYSA-N 289.324 0.384 0 50 CCAA O=C(c1ccn2ncnc2c1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 1550833500 BNLMCEPNVATDBL-RWMBFGLXSA-N 286.335 0.962 0 50 CCAA O=C1CC[C@H](C(=O)N=c2nc(C3CC3)[nH]s2)CN1 1875268300 NWVJEJFHGFSGQR-ZETCQYMHSA-N 266.326 0.302 0 50 CCAA C[S@](=O)CC[C@@H](O)C(=O)Nc1ccc2c(c1)OCC2 1875321493 KJARBIADPMNMGQ-WYRIXSBYSA-N 283.349 0.690 0 50 CCAA C=CC(=O)N(C)C1CCN(CC(=O)N2CCCC2)CC1 1875366033 WSOLAZNYWWGILB-UHFFFAOYSA-N 279.384 0.718 0 50 CCAA O=C(N[C@H]1CCO[C@H]1c1nc[nH]n1)c1ncccc1F 952889000 UTRBQNUBRVSKQQ-WCBMZHEXSA-N 277.259 0.599 0 50 CCAA O=c1oc2ccccc2cc1Cn1nnn(C2CC2)c1=O 1459115084 SUNPKGPLDSGBDU-UHFFFAOYSA-N 284.275 0.929 0 50 CCAA CCOCCN1C[C@@H](CC(=O)O)[C@@H](c2cnn[nH]2)C1 1076088218 BTECPLCCFCLGDW-ZJUUUORDSA-N 268.317 0.331 0 50 CCAA Cc1cc(C(=O)NC[C@](C)(O)CCCO)nc(C)n1 952985454 BVRBRWJMYNNMEX-CYBMUJFWSA-N 267.329 0.347 0 50 CCAA COC(=O)[C@H]1Cc2ccc(S(N)(=O)=O)cc2C1 1772778251 QYSDAVNQJWRODS-VIFPVBQESA-N 255.295 0.222 0 50 CCAA CC(C)(C)OC(=O)NC[C@@H]1CNC[C@H](C(=O)O)C1 1535543504 ASMYHJIYHUDNDZ-DTWKUNHWSA-N 258.318 0.821 0 50 CCAA CCn1nc(C)c(S(=O)(=O)NCC(F)(F)CO)c1C 274254277 IBICDWQPORILRG-UHFFFAOYSA-N 297.327 0.426 0 50 CCAA O=C(NC[C@@H]1CCc2nccn2C1)c1ccc2nncn2c1 275812910 DVPOTCCPJUGWPV-NSHDSACASA-N 296.334 0.918 0 50 CCAA O=C(NCC1(C(F)(F)F)CC1)N1CC(CO)C1 673155630 BRTDZCMDVOQJMT-UHFFFAOYSA-N 252.236 0.963 0 50 CCAA Cc1nnc(S)n1CCNC(=O)c1ccccn1 170644567 LKATXLAOOFQNAQ-UHFFFAOYSA-N 263.326 0.700 0 50 CCAA C[C@@H]1[C@@H](N)CCN1C(=O)Cc1cccc2c1CCNC2 638236033 UHMQLNNJWQAEQQ-ABAIWWIYSA-N 273.380 0.823 0 50 CCAA C[C@@H]1CCC[C@@H](CNC(=O)c2ccc3c(c2)B(O)OC3)O1 585008954 ZEVHZAPUIOWMIZ-MFKMUULPSA-N 289.140 0.592 0 50 CCAA CCC1CN(CC(=O)NC2(CO)CCSCC2)C1 585122103 NSVPPGOZBFGPHQ-UHFFFAOYSA-N 272.414 0.703 0 50 CCAA Cc1cc(N2C[C@@H](C(=O)NCC(=O)O)CC2=O)ccc1F 190529103 DXULFPPXYPNPFM-VIFPVBQESA-N 294.282 0.688 0 50 CCAA Cc1ccc(NC(=O)CN2CCCC[C@@H](O)C2=O)nc1 644294460 RFRVYSBCWMRXRV-LLVKDONJSA-N 277.324 0.702 0 50 CCAA NC(=O)NC1(C(=O)NC2CC(C(F)(F)F)C2)CC1 644333017 LAZJKPVEHWKGMQ-UHFFFAOYSA-N 265.235 0.644 0 50 CCAA CC[C@H]1[C@H](NC(=O)c2nc3ncccn3n2)[C@H]2CCO[C@@H]12 1074601497 WQRXRMUECHRGPX-VLEAKVRGSA-N 287.323 0.668 0 50 CCAA C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cc(O)n(C)n1 597277411 ZSHPTHBWBYHUHL-VUNLKDGVSA-N 271.342 0.107 0 50 CCAA Cn1cnnc1SCC(=O)N1CC(c2ccncc2)C1 1506418551 RDAOOZVJOGIVEV-UHFFFAOYSA-N 289.364 0.928 0 50 CCAA CCCc1nc(N(C)CCN2CCOCC2)no1 1529194855 DLBVRPMELLTIAO-UHFFFAOYSA-N 254.334 0.791 0 50 CCAA CN1CCC(CCNc2cc3nncn3c(N)n2)CC1 1529192190 QYCWNAAFKVKIPW-UHFFFAOYSA-N 275.360 0.850 0 50 CCAA CNC(=O)Cn1cc(NC(=O)[C@@H](C)N2CCCC2)cn1 1529109882 GTBORPNLHOBTSM-SNVBAGLBSA-N 279.344 0.052 0 50 CCAA CCn1ncnc1CN1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529099939 IXDJAJATOPMOKE-TZMCWYRMSA-N 287.367 0.728 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCN(C2CCCC2)C(=O)C1 1857682545 NFZNDCZTEKWYMS-LBPRGKRZSA-N 263.341 0.128 0 50 CCAA CSCC[C@@H](C)NS(=O)(=O)c1cnccn1 1615606430 XWSBFPAFQDHPIH-MRVPVSSYSA-N 261.372 0.897 0 50 CCAA NCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2555266 KXMSCBRTBLPGIN-JTQLQIEISA-N 252.270 0.715 0 50 CCAA in-vitro C[C@@H]1CN(C(=O)NCC2(C)CCC2)C[C@H](C(N)=O)O1 122799751 CYBFTIRZGHGUBW-NXEZZACHSA-N 269.345 0.461 0 50 CCAA C=CC(=O)N1CC(C(=O)NCc2ncc(CC)[nH]2)C1 1875387640 QSAVPCJLSOHQHB-UHFFFAOYSA-N 262.313 0.233 0 50 CCAA O=C(O)CCNC(=O)[C@H]1COc2ccccc2O1 19272710 DPPKCPYLLOEXCY-SNVBAGLBSA-N 251.238 0.417 0 50 CCAA CC(C)(C)OC(=O)NCCOCCOCCOCCO 15809941 XKKDQIAPTPFIGW-UHFFFAOYSA-N 293.360 0.553 0 50 CCAA in-vitro COc1ccccc1/C=c1\sc2ncnn2c1=O 16265079 AJXUJTLKGFASGK-POHAHGRESA-N 259.290 0.707 0 50 CCAA COCCOCCOCCOCCOC[C@@H]1CO1 202708363 YBNLIMPNCMSLBE-GFCCVEGCSA-N 264.318 0.098 0 50 CCAA CCc1c(C)nn(CC(=O)N2C[C@@H]3C[C@H]2C(=O)N3)c1C 1857671561 IEVSIFVBMHEGCB-JQWIXIFHSA-N 276.340 0.162 0 50 CCAA O=C(NCCCn1ccnn1)[C@H]1CCn2nccc2C1 1857673406 IGCXBBCFZVPPBQ-NSHDSACASA-N 274.328 0.244 0 50 CCAA Cc1nc(N2CC[C@H](O)[C@@H](N(C)C)C2)c2[nH]ccc2n1 1857681321 JAVQZSGRTLNMME-RYUDHWBXSA-N 275.356 0.768 0 50 CCAA COc1ccc(C(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)c(OC)n1 1857685008 NIQPCADCFPONGW-WCBMZHEXSA-N 291.307 0.059 0 50 CCAA Cc1nonc1OCCNC(=O)[C@H]1CCn2nccc2C1 1857697834 OCKSOYWLWSDEAN-JTQLQIEISA-N 291.311 0.332 0 50 CCAA COC(=O)[C@@](C)(O)CN1CCC[C@H](C(=O)NCC2CC2)C1 225410514 RGLVOMJWKATBCK-WFASDCNBSA-N 298.383 0.149 0 50 CCAA CN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1nn[nH]n1 630940540 HSSRUXQHGQFDBR-QWRGUYRKSA-N 278.360 0.218 0 50 CCAA NC(=O)C12CC(CN1C(=O)c1ccc(C(=O)O)cc1)C2 685938936 TVXSXXUMBFFNHJ-UHFFFAOYSA-N 274.276 0.475 0 50 CCAA CN[C@@H](CC(C)(C)C)C(=O)NCCN1CCNC1=O 1649986392 RMGZVCJORHXTND-JTQLQIEISA-N 270.377 0.152 0 50 CCAA Cc1nnsc1CN1CCCC[C@@H]1CS(N)(=O)=O 931229432 AHEHUPPHVUMYGF-SECBINFHSA-N 290.414 0.490 0 50 CCAA C[C@H](OC(=O)c1nc[nH]c2nccc1-2)c1nncn1C 1118479767 UYCTWTGAIFVYBN-ZETCQYMHSA-N 272.268 0.956 0 50 CCAA C[C@@]1(C(=O)Nc2cc(C(=O)O)[nH]n2)CCCOC1 1589181044 BCJWPYMZPSNCKV-LLVKDONJSA-N 253.258 0.863 0 50 CCAA CC(C)(C)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1 5383659 FZJTVDNQPHEMSO-UHFFFAOYSA-N 285.369 0.661 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CCOCc2ccccc2)CCO1 262961352 KFZFOTQYTZDESC-CYBMUJFWSA-N 293.319 0.905 0 50 CCAA CN1CCC(CC(=O)NCCc2c[nH]cn2)CC1 97436750 DHYDQCYGIRRKBK-UHFFFAOYSA-N 250.346 0.800 0 50 CCAA CC[C@@H](NC(=O)[C@H]1CCNCC1(F)F)C(=O)OC 343409607 APPSMRPOZOOILN-HTQZYQBOSA-N 264.272 0.299 0 50 CCAA COc1cc(C)c(S(=O)(=O)NC[C@@H](C)O)cc1C 32120659 QXSARHGUPXVOJB-SNVBAGLBSA-N 273.354 0.971 0 50 CCAA CN(Cc1ccon1)C(=O)[C@]12CNC[C@@]1(F)CCOC2 2325792065 ZPTRKPOVMXTOAM-OLZOCXBDSA-N 283.303 0.351 0 50 CCAA COCCNS(=O)(=O)c1ccc(F)c(OC)c1 2182646 SRBPMUKAJMSZBQ-UHFFFAOYSA-N 263.290 0.759 0 50 CCAA Cc1ccc(NC(=O)CCC(=O)NCCO)cc1 2258914 SVCXQMYGEFQOTQ-UHFFFAOYSA-N 250.298 0.822 0 50 CCAA O=C1NC[C@H]2CN(C(=O)CCCCc3cccnc3)C[C@@H]12 2356164571 YBEPESSXTMFOHY-UONOGXRCSA-N 287.363 0.999 0 50 CCAA COc1ccc(OC)c(NC(=O)C(=O)NC2CC2)c1 2837813 KPPJFKNDDOIJHI-UHFFFAOYSA-N 264.281 0.921 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N1CCOCC1 250885911 WLQTXQUTGJVZDU-XQQFMLRXSA-N 296.367 0.563 0 50 CCAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)[C@H]1CCS(=O)(=O)C1 247527044 ZTDOFYWIYYORKQ-TUAOUCFPSA-N 286.397 0.164 0 50 CCAA CC(C)n1cc(NC(=O)CCNS(C)(=O)=O)cn1 66673762 JLFKXEBZRLOKCU-UHFFFAOYSA-N 274.346 0.342 0 50 CCAA O=c1c(N2CCO[C@@]3(CCOC3)C2)nccn1C(F)F 329460691 PJQHEVQQMPUMOT-LBPRGKRZSA-N 287.266 0.634 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 329685462 UTANGGMIBGWSDO-RWMBFGLXSA-N 278.356 0.942 0 50 CCAA Cn1ncc(N2CC[C@H](CNC(=O)C(C)(C)C)C2)cc1=O 77503268 XIIRNIQXGGIXRA-LLVKDONJSA-N 292.383 0.769 0 50 CCAA CC[C@@H](NC(=O)C1(C)CC1)C(=O)N1CCOCC1 124680650 VVNBPCUBSSVKER-SNVBAGLBSA-N 254.330 0.540 0 50 CCAA O=C(c1cnc2nccnc2c1)N1CC(O)(C2CC2)C1 330094904 UMMKZONVTLXBNG-UHFFFAOYSA-N 270.292 0.622 0 50 CCAA Cn1nncc1S(=O)(=O)NC1(c2ccccc2)CC1 330052971 PVIKGNQKSUSSMB-UHFFFAOYSA-N 278.337 0.783 0 50 CCAA O=C(c1ccon1)N1CCC[C@@H](Cn2ccnn2)C1 125778547 BFRDWZKGGNXXIQ-SNVBAGLBSA-N 261.285 0.819 0 50 CCAA COc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CCCCN1 154301594 SNHHAQBACLCKPW-STQMWFEESA-N 278.352 0.987 0 50 CCAA CCn1nc(C(C)C)cc1C(=O)N[C@H]1CNCC[C@@H]1O 219812622 FWJVUFXCUGVATA-AAEUAGOBSA-N 280.372 0.479 0 50 CCAA CN1CCO[C@H]2CCN(C(=O)c3ncc(F)cc3F)C[C@@H]21 284353355 DIDNCHYOIKESTJ-RYUDHWBXSA-N 297.305 0.905 0 50 CCAA COC(=O)c1nccnc1I 77028061 ZMPHVSWNACFXDA-UHFFFAOYSA-N 264.022 0.868 0 50 CCAA CC[C@@H](NS(=O)(=O)c1ccccc1C(=O)O)C(=O)O 71772857 ZSZRAZFBMCPXTN-MRVPVSSYSA-N 287.293 0.526 0 50 CCAA O=C(Cn1ncc2ccccc2c1=O)Nc1nncs1 30611508 BVXYCVIUUYYBLP-UHFFFAOYSA-N 287.304 0.887 0 50 CCAA Cn1cc([C@H]2CCN(c3ccc(C(N)=O)nn3)C2)cn1 524793953 RSAPUVGIYLPRKX-VIFPVBQESA-N 272.312 0.303 0 50 CCAA CS(=O)(=O)NCc1ccccc1CN1CCCC1=O 45807243 PXCAAVZQQVJQOU-UHFFFAOYSA-N 282.365 0.858 0 50 CCAA CCc1nc(C)c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)o1 223064037 YPEIRTICNGPZBH-RFVSLCSESA-N 293.367 0.993 0 50 CCAA COc1coc(CSc2nnc(CN)n2C)cc1=O 426430575 BULFIIZDLVVWRI-UHFFFAOYSA-N 282.325 0.528 0 50 CCAA CC[C@]1(c2ccccc2)NC(=S)N(CCO)N1 334160803 MRCRTYBAONWYMA-LBPRGKRZSA-N 251.355 0.936 0 50 CCAA COCCC[C@@]1(CO)CCCN(C(=O)C2(N)CC2)C1 91808355 BSIYHSNXWDWAJL-ZDUSSCGKSA-N 270.373 0.505 0 50 CCAA CN1CCO[C@@H]2CN(C(=O)c3cnn(C)c3C3CC3)C[C@@H]21 299743301 NCIGCSWGSXFDRH-QWHCGFSZSA-N 290.367 0.453 0 50 CCAA COC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)CCO1 299746978 BRGMZSWPVHEDNT-FQUUOJAGSA-N 282.384 0.781 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 299751066 PJOKGPMDHBRLMV-SDDRHHMPSA-N 285.340 0.894 0 50 CCAA NC(=O)CC[C@H]1CCCN(S(=O)(=O)N2CCCC2)C1 355407523 KGXOWCMBFPZQJC-LLVKDONJSA-N 289.401 0.305 0 50 CCAA Cc1cc(=O)n(CCN(C)C[C@H]2CCCCO2)c(O)n1 253536680 KMDKAHLSVIXRTM-GFCCVEGCSA-N 281.356 0.758 0 50 CCAA CN1CC[C@H](CN2CCC(c3nnc(CO)n3C)CC2)C1 299797355 PZDHRYFLCUKIOL-LBPRGKRZSA-N 293.415 0.439 0 50 CCAA CC(C)N1C[C@H](C(=O)NCCc2cc[nH]n2)CCC1=O 299784284 WSBNYXHQNIQBNS-LLVKDONJSA-N 278.356 0.715 0 50 CCAA Cc1nn(CC(=O)N2CCN3C(=O)OC[C@H]3C2)cc1Cl 299758845 QWAPWFRLOBSMIE-SECBINFHSA-N 298.730 0.508 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)c1cncc(O)c1 828930787 AGVKNNNWDNVKMD-UHFFFAOYSA-N 272.308 0.754 0 50 CCAA Cc1cc(CNC(=O)C2(O)CCN(C)CC2)cnc1C 584888559 HWGZQAUMQVIOBC-UHFFFAOYSA-N 277.368 0.771 0 50 CCAA CC(C)O[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1O 584898628 SESQPFHEMPUVTK-RYUDHWBXSA-N 257.330 0.410 0 50 CCAA CN(C)C[C@H]1CCN(c2cncc(C(=O)N(C)C)n2)C1 670435243 LMVHTYLZKSGICJ-LLVKDONJSA-N 277.372 0.566 0 50 CCAA COCCCN1CCC(=O)N(Cc2cc[nH]n2)C1=O 1875292503 KEPBXTKAOQYXGB-UHFFFAOYSA-N 266.301 0.601 0 50 CCAA O=C(NCCN1CCOC1=O)c1cc(O)nc(C2CC2)n1 1875332702 FXGKKPWGPGGORP-UHFFFAOYSA-N 292.295 0.242 0 50 CCAA C=CC(=O)NCc1c(F)cccc1S(=O)(=O)N(C)C 1875366391 GTLSRWUGMDPOMT-UHFFFAOYSA-N 286.328 0.878 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)N1CC(c2ccccn2)C1 952967144 JLLPPSZLBGRFNP-NSHDSACASA-N 271.324 0.935 0 50 CCAA Cc1nc([C@H](N)C2(O)C[C@@H]3CC[C@H](C2)N3)cn1C 958527751 GJFWUWUXTOKBLT-OMLSGTGCSA-N 250.346 0.374 0 50 CCAA COCc1nc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)co1 888095480 ZBDLTLSZOUHJHZ-GHMZBOCLSA-N 296.323 0.481 0 50 CCAA CN1CCC(NC(=O)[C@@H](c2cncn2C)N(C)C)CC1 1776002240 WCTNVDJDELQKEX-CYBMUJFWSA-N 279.388 0.233 0 50 CCAA Cc1nc(N)nc(NCc2ccc(CCO)cc2)n1 897358169 SQMCNUNOVYJGSI-UHFFFAOYSA-N 259.313 0.909 0 50 CCAA Cc1ncsc1CCS(=O)(=O)NC[C@@H]1CCOC1 1364754535 AYYVLCFEWVYCMR-JTQLQIEISA-N 290.410 0.950 0 50 CCAA O=C(CCc1cn[nH]c1)N[C@H]1COC2(CCNCC2)C1 1506401074 HUYUJQOILBHFHG-GFCCVEGCSA-N 278.356 0.370 0 50 CCAA COCC[C@@H](C)NCc1ccc(S(N)(=O)=O)s1 584907876 CNYKJIOIDYMVAU-MRVPVSSYSA-N 278.399 0.910 0 50 CCAA O=C(O)c1cccc(CNC(=O)N2CCO[C@H](CO)C2)c1 167352816 VLSSASHTDYTCOB-LBPRGKRZSA-N 294.307 0.288 0 50 CCAA COC(=O)[C@](C)(O)CNC(=O)c1cc(C)c(OC)c(C)c1 408514172 XXFWTPADTBOLRK-OAHLLOKOSA-N 295.335 0.966 0 50 CCAA C/C(Cl)=C/Cn1c(N)nc2c1c(=O)n(C)c(=O)n2C 170624184 IGXQZVWQSPTQHO-XQRVVYSFSA-N 283.719 0.159 0 50 CCAA CN1CCOc2ccc(NC(=O)N3CC(CO)C3)cc21 192233606 RDLZGKGIGBALHU-UHFFFAOYSA-N 277.324 0.971 0 50 CCAA COC(=O)[C@@H](NC(=O)CC(F)(F)CN)C(C)C 570102976 KZDKGJMNFYCXSM-QMMMGPOBSA-N 252.261 0.284 0 50 CCAA Cn1nnc2c(C(=O)N3CC[C@@]4(CCOC4)C3)ccnc21 669836791 XSIBQNJOOARUNM-CQSZACIVSA-N 287.323 0.616 0 50 CCAA O[C@@]1(c2cnn[nH]2)CCN(CCOc2ccccc2F)C1 583618304 MASBGLDBYPCBME-AWEZNQCLSA-N 292.314 0.916 0 50 CCAA N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCN1CCCCC1=O 1857705211 XZHBYGBDUYQQEL-WOPDTQHZSA-N 265.357 0.480 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)N[C@H]2CO)C1 110915066 DMNLMJMGLDXXBB-ZANVPECISA-N 270.329 0.494 0 50 CCAA in-vitro CC(=O)N1CC[C@H](C(=O)N2C[C@H](C)N[C@@H](C)C2)C1 252656474 GMDBUOYORHWFCL-NHCYSSNCSA-N 253.346 0.064 0 50 CCAA Nc1ncccc1CN1CCN2[C@H](COC[C@H]2C2CC2)C1 1615965624 DAHRLEJRFKJOOS-GJZGRUSLSA-N 288.395 0.959 0 50 CCAA O=C([C@H]1COc2ccccc21)N1CC[C@]2(CNCCO2)C1 1616040688 SYTPRSLRYJCLPM-BBRMVZONSA-N 288.347 0.754 0 50 CCAA NC(=O)c1cnc(C(=O)N2CCC3(CCCC3)C2)cn1 1772712407 RMFZVUKHULWWSF-UHFFFAOYSA-N 274.324 0.982 0 50 CCAA CCn1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cn1 17821423 UXJJYOFFQNITGZ-AOOOYVTPSA-N 273.358 0.701 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2ncc3n2CCCC3)CCO1 633137135 NPRVPCLAUXORLR-SNVBAGLBSA-N 279.296 0.145 0 50 CCAA N[C@@]12CCc3nonc3[C@@]1(O)CC(c1ccccc1)=[N+]2[O-] 19321844 JENTZDUNXHZRGI-UONOGXRCSA-N 286.291 0.262 0 50 CCAA CC(=O)N1CCCN([C@H]2COC3(CCNCC3)C2)CC1 10231857 BMPYUBQYQNNFKY-CQSZACIVSA-N 281.400 0.452 0 50 CCAA Cc1ccc(O[C@H](C)CNC(=O)[C@@H]2C[C@H](O)CN2)cc1 151724501 XIYKTCFKMQSTIT-DYEKYZERSA-N 278.352 0.601 0 50 CCAA O[C@H](CN1CCN(c2ncns2)CC1)C1(O)CCCC1 930631628 RPJALHFUISJHPI-LLVKDONJSA-N 298.412 0.326 0 50 CCAA CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCOC2)cn1 932147581 GIOMHFPZSYXPLZ-JTQLQIEISA-N 284.337 0.394 0 50 CCAA Nc1c(C(=O)N[C@@H]2CC[C@H]2O)cnn1Cc1ccccc1 854986425 PVYSQPPTJFGXSN-CHWSQXEVSA-N 286.335 0.767 0 50 CCAA COc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 35048283 ZASCAVMYQYEYON-UHFFFAOYSA-N 271.342 0.026 0 50 CCAA CN(CC(C)(CO)CO)c1nccc(C(F)(F)F)n1 269278989 KLYRTORQKVPIMC-UHFFFAOYSA-N 279.262 0.923 0 50 CCAA CN1C[C@@H](C(=O)NCc2ccc3nc[nH]c3c2)CC1=O 426438823 IXWZUYPTMCOLBN-JTQLQIEISA-N 272.308 0.657 0 50 CCAA O=S(=O)(Cc1ccccc1)NC[C@@]1(O)CCCNC1 534643466 VJQDHFJNQQBLSV-CYBMUJFWSA-N 284.381 0.221 0 50 CCAA O=C(c1cnsc1)N1CC[C@H](c2nc(=O)o[nH]2)C1 2325810606 UGYSEVBVEGFCKO-LURJTMIESA-N 266.282 0.449 0 50 CCAA O=C(N[C@H](CO)[C@@H](O)c1ccccn1)[C@@H](O)C1CCCC1 2325850288 SZZLZLMVVXLFFL-RDBSUJKOSA-N 294.351 0.143 0 50 CCAA CN(C[C@@H](O)CO)c1noc(-c2ccccc2)c1C(=O)O 2356159165 OPZROTCTGZILSJ-SNVBAGLBSA-N 292.291 0.829 0 50 CCAA CCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 2899148 HEAKTFLVYGZWOR-UHFFFAOYSA-N 280.324 0.499 0 50 CCAA COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1 101356449 FJXUOWFMTARRJB-LPWJVIDDSA-N 299.282 0.916 0 50 CCAA CC(=O)NCC(=O)NCc1cn2cccc(C)c2n1 126701761 PVVHMGPFANXNIG-UHFFFAOYSA-N 260.297 0.395 0 50 CCAA O=c1/c(=C/c2cccc(O)c2)sc2n1CCCN=2 22204687 DWUMJXBUFIOTMW-FLIBITNWSA-N 260.318 0.468 0 50 CCAA CC(=O)C1(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)CC1 331380775 JLKGASYSZRAROI-JTQLQIEISA-N 273.354 0.391 0 50 CCAA O=C(Nc1ccc(-n2cncn2)cn1)c1ccn[nH]1 230488770 XXKRUWWKOKZDHN-UHFFFAOYSA-N 255.241 0.638 0 50 CCAA CN(CC(=N)O)C[C@H]1CN(C(=O)C(C)(C)F)CCO1 328628280 HCZWROUYSPZCRB-VIFPVBQESA-N 275.324 0.429 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)Cc1ccc(O)c(F)c1 72409119 NYPRAPNDUSOCJG-SNVBAGLBSA-N 297.282 0.776 0 50 CCAA O[C@@H]1CCC[C@H]1N1CCN(c2ncnc3[nH]ccc23)CC1 360277639 BFTKVGTVQCSLGS-CHWSQXEVSA-N 287.367 0.993 0 50 CCAA O=S(=O)(N[C@@H]1CCCC(F)(F)C1)C1COC1 330222991 SCXZTRJMQRWZMP-SSDOTTSWSA-N 255.286 0.883 0 50 CCAA Cn1cc(N2CCC[C@@H](NC(=O)c3cnns3)C2)cn1 154076501 HHRAVOXSCJREHX-SECBINFHSA-N 292.368 0.670 0 50 CCAA CO[C@@H](C)CS(=O)(=O)N1CC[C@@]2(CCNC2)C1 261994106 FHNQWVHKYYQWGR-WDEREUQCSA-N 262.375 0.037 0 50 CCAA C[C@H]1CN(Cc2cnnn2C)c2ccccc2C(=O)N1 378131646 OOZINSVCKIGPCI-JTQLQIEISA-N 271.324 0.954 0 50 CCAA Cn1nccc1C1CCN(C(=O)[C@@H]2COCCN2)CC1 237677703 MLHJAFRBMLKLPC-LBPRGKRZSA-N 278.356 0.115 0 50 CCAA CCS(=O)(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 374269592 JHIGZZONWAJUGL-LBPRGKRZSA-N 289.445 0.436 0 50 CCAA Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)N(C)C2)c(O)c1 216352190 ZTMOLQBKKPZNJT-ONGXEEELSA-N 278.308 0.588 0 50 CCAA NC(=O)C1(CNC(=O)[C@@H]2Cc3ccccc32)CCOCC1 607888083 NRKCFJNOZMZLSJ-CYBMUJFWSA-N 288.347 0.725 0 50 CCAA NC(=O)c1[nH]nnc1NC(=O)CCC1CCCC1 291384043 BOFKIKDDUIKHLR-UHFFFAOYSA-N 251.290 0.813 0 50 CCAA CCOc1ccc(C)cc1S(=O)(=O)NCCO 41096079 SXHKMBZYCCNJPV-UHFFFAOYSA-N 259.327 0.664 0 50 CCAA CC[C@@H]1CN(C(=O)NC[C@H]2CCCO2)CCN1C[C@H](C)O 245920696 XSMIJWXVVGJOAI-BFHYXJOUSA-N 299.415 0.652 0 50 CCAA CN(C)c1nc(CNC(=O)CN2CCOCC2)cs1 223801798 PTJJPXDEPBAGKC-UHFFFAOYSA-N 284.385 0.158 0 50 CCAA CC[C@@H](NC(=O)Cn1ccnn1)c1ncnn1CC 426548800 OZPXIBSXIILWFL-SECBINFHSA-N 263.305 0.157 0 50 CCAA CCOCCNC(=O)c1ccc2c(c1)ncn2CCO 97743364 QUNPZIBRPCPWDN-UHFFFAOYSA-N 277.324 0.795 0 50 CCAA O=C(NC[C@H]1CNC[C@H]1O)OCc1ccccc1 97759074 GMRSODJBNMSXGR-VXGBXAGGSA-N 250.298 0.493 0 50 CCAA O=S1(=O)COCCN1C[C@H]1CC(c2ccccc2)=NO1 91872046 WMMJKWKKWJWRSD-GFCCVEGCSA-N 296.348 0.799 0 50 CCAA CN1CCC[C@@H](CCC(=O)NCc2cc(=O)[nH]cn2)C1 91452178 NQPRXEZDKUAJCT-NSHDSACASA-N 278.356 0.508 0 50 CCAA O=C(O)CCCNC(=O)NC[C@@H](O)Cc1ccccc1 263376438 BYESZTBYALDYHL-LBPRGKRZSA-N 280.324 0.754 0 50 CCAA CCCn1nccc1S(=O)(=O)N1CCNC[C@@H]1C 534635595 FQMZCEMHRVAMHF-JTQLQIEISA-N 272.374 0.276 0 50 CCAA CC(=O)NCCCC(=O)N=c1nc[nH]n1C(C)C 1940198416 QATGQDIUOIMZFC-UHFFFAOYSA-N 253.306 0.136 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)C(=O)C(C)(C)C 299800448 SLJZHNWKLBZBGA-VIFPVBQESA-N 282.344 0.717 0 50 CCAA CSCC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299774483 JFVXBZHHSBMYNN-UWVGGRQHSA-N 268.342 0.313 0 50 CCAA CC(C)CN1C[C@H](C(=O)Nc2nccn2C)CC1=O 567861984 YVKAKKAMBBAEPF-SNVBAGLBSA-N 264.329 0.863 0 50 CCAA COC(=O)c1cc(CN)cc(NC(=O)Cn2cccn2)c1 299789389 YYYMGHHLSPWCAP-UHFFFAOYSA-N 288.307 0.767 0 50 CCAA Cn1nc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cc1O 863981712 LBITXPGFLGCYIS-GDPRMGEGSA-N 293.323 0.984 0 50 CCAA O=C(CN1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12)Nc1cnccn1 828084345 SVHZUIRBCHCOIU-BKUVIOGVSA-N 273.340 0.097 0 50 CCAA COCCN1C[C@@H](CNC(=O)CSC(C)C)CC1=O 584885779 WXIQSHDYYOMTCC-LLVKDONJSA-N 288.413 0.739 0 50 CCAA CC[C@H](NC(=O)N(C)CCC(=O)NC)c1nc(C)no1 584894921 FAIHMPGANSPKFG-VIFPVBQESA-N 283.332 0.607 0 50 CCAA Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNc2ncc(F)cn2)C1 685940449 AMHSDHPSPGTMAU-IQJOONFLSA-N 292.318 0.711 0 50 CCAA CS(=O)(=O)Nc1ccc([C@H]2CNCC[C@@H]2N)cc1 757207386 ATIRCNZRYHPLEQ-NEPJUHHUSA-N 269.370 0.462 0 50 CCAA COC(=O)/C=C/CNC(=O)c1ccc(=NCC2CC2)[nH]c1 1875273264 KMJBDCFQNDTLKX-NSCUHMNNSA-N 289.335 0.784 0 50 CCAA O=C1CC(C(=O)Nc2c[nH]nc2C(F)(F)F)=NN1 1875284380 XTHVGMYRUJRREU-UHFFFAOYSA-N 261.163 0.243 0 50 CCAA CN1CCC[C@@H]1CCC(=O)N1Cc2nc(O)nc(O)c2C1 1875302569 WQSNEZXVTXXLGI-SECBINFHSA-N 292.339 0.604 0 50 CCAA CC1=C(C(=O)N2CCN(C3CCCC3)C(=O)C2)OCCO1 952981409 SXIULDSISBUXKE-UHFFFAOYSA-N 294.351 0.878 0 50 CCAA Cc1cc(CC(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)no1 888077289 ZPAPFKJWJKPIFA-DMDPSCGWSA-N 276.296 0.213 0 50 CCAA CCOc1cc(C(=O)N[C@H]2CCCn3ncnc32)[nH]n1 1775988036 GQJPTWMOHNYHTO-QMMMGPOBSA-N 276.300 0.665 0 50 CCAA NC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)cn2)C1 218029801 IWWLQWCJRMDSSG-SSDOTTSWSA-N 298.140 0.792 0 50 CCAA COc1coc(COC(=O)c2cnsn2)cc1=O 170661539 GKDTVTMGJVBQGJ-UHFFFAOYSA-N 268.250 0.857 0 50 CCAA CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cnn(C)c1 189870599 JSKXYTDRGMXIBT-ZDUSSCGKSA-N 264.329 0.551 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1CCOCC(F)(F)C1 584992175 INZMODSGVJUZTO-UHFFFAOYSA-N 297.066 0.012 0 50 CCAA CCC[C@@H](C)OC(=O)c1c[nH]nc1S(N)(=O)=O 585138209 VRDPBIZRYFVGNA-ZCFIWIBFSA-N 261.303 0.403 0 50 CCAA O=C(O)Cn1ccc(NC(=O)C[C@@H]2CCCCO2)n1 192879312 CLCZJDNQOJRPMG-VIFPVBQESA-N 267.285 0.865 0 50 CCAA COc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N(C)C)nc(OC)n1 1074601479 JTRVIZIMJMWGMI-MHNYQROPSA-N 294.355 0.623 0 50 CCAA Cc1nn(CCO)c(NCc2nnn(C(C)(C)C)n2)c1C 657413404 AYHYJTPBOZQTTD-UHFFFAOYSA-N 293.375 0.846 0 50 CCAA COc1cccc([C@@H](O)C(=O)N2CCn3cnnc3C2)c1 765004588 ZYCHNHGDFDDOGO-CYBMUJFWSA-N 288.307 0.363 0 50 CCAA CC(C)c1ocnc1C(=O)NC[C@@H]1CNCCO1 97288827 GMJFSNXIZYPYFK-VIFPVBQESA-N 253.302 0.516 0 50 CCAA CCN1CCC[C@H]1CN1C[C@@H](CO)C[C@@H](CO)C1 1506418806 VKYJIXKNPHCARN-MJBXVCDLSA-N 256.390 0.393 0 50 CCAA C[C@@H](C(=O)Nc1cnn2c1NCCC2)N1CCCC1=O 1506428952 ZUAQKEQFRWKXIU-VIFPVBQESA-N 277.328 0.648 0 50 CCAA CN(C)C(=O)c1ccc(N(C)C[C@H]2CCCO2)nn1 1857670924 ITFAWSCGQLIEEO-SNVBAGLBSA-N 264.329 0.794 0 50 CCAA O=C(O)CNS(=O)(=O)c1ccc2c(c1)CCN2 722225444 IHTFCUSOFDIHNV-UHFFFAOYSA-N 256.283 0.018 0 50 CCAA CC(C)COCCN1CC[C@@](O)(Cn2ccnn2)C1 671554473 AUVNCCACZXNTOT-ZDUSSCGKSA-N 268.361 0.388 0 50 CCAA CC(C)c1ncc(S(=O)(=O)N[C@H](C)C(=O)O)[nH]1 677643967 ZQWFDMDNNNFNGU-ZCFIWIBFSA-N 261.303 0.285 0 50 CCAA CCn1cc(CC(=O)N2C[C@H]3CCC[C@@]3(N)C2)nn1 1615555065 XHTBTOFUCFPXBS-ZWNOBZJWSA-N 263.345 0.180 0 50 CCAA COC(C)(C)CN(C)C(=O)[C@@H]1NCc2ncncc21 1615616237 YPAQJUMHQINBOE-LLVKDONJSA-N 264.329 0.504 0 50 CCAA O=C(O)CCNC(=O)[C@@H]1COc2ccc(F)cc2C1 376984451 DEFHAUCOCQFFHF-VIFPVBQESA-N 267.256 0.968 0 50 CCAA O=C1CCC(=O)N1CN1CCN(Cc2ccccc2)CC1 19313274 WIJICIRJAQSICP-UHFFFAOYSA-N 287.363 0.911 0 50 CCAA COc1ccc(CN2CCNC[C@H]2CCO)c(F)c1 19368019 PZOZDPRPIPIBPY-GFCCVEGCSA-N 268.332 0.991 0 50 CCAA O=C(COc1ccccc1)NCCCN1CCOCC1 19760051 PAESMEZXTWYIKL-UHFFFAOYSA-N 278.352 0.904 0 50 CCAA O=C(COCC1CC1)N[C@H]1C[C@H](Cn2cccn2)C[C@@H]1O 1857532799 XMAXPZUQCZSLSP-IHRRRGAJSA-N 293.367 0.565 0 50 CCAA Cc1ncn(C)c1-c1nc(CC(N)=O)nn1-c1ccccn1 1857717874 CMSSYJONXNSEHK-UHFFFAOYSA-N 297.322 0.399 0 50 CCAA CN1CCc2cc(-c3n[nH]c(CCC(N)=O)n3)cnc21 1875247308 ZEFRBLANGNQAPM-UHFFFAOYSA-N 272.312 0.277 0 50 CCAA O=C(CCc1ccccc1F)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875240852 ICEIYCLOIGNJRL-CTHBEMJXSA-N 295.310 0.402 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2cnc(C)nc2)C[C@H]1O 1875248324 KZZLMZKBDLPMRT-UKRRQHHQSA-N 293.367 0.771 0 50 CCAA N[C@@H](CCCN1C(=O)c2ccccc2C1=O)C(=O)O 2556643 YSGKFFRIBKEGNC-JTQLQIEISA-N 262.265 0.475 0 50 CCAA in-vitro CN1CCN(C(=O)c2ccccn2)C[C@@H]1c1ncc[nH]1 328620151 GTKIELRVQWEGCK-GFCCVEGCSA-N 271.324 0.934 0 50 CCAA Cn1nncc1NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1 1645792087 XNNOTEGPRVSERX-UHFFFAOYSA-N 295.246 0.963 0 50 CCAA Cc1ccn2c(=O)c(C(=O)N3CCC[C@@H](N)C3)cnc2c1 157821601 WOFRKSJIAPYPDS-LLVKDONJSA-N 286.335 0.566 0 50 CCAA CCS(=O)(=O)CC(=O)NCCNC1CCCCCC1 236994621 YAVQADTWSGYBRA-UHFFFAOYSA-N 290.429 0.850 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)C[C@@H]1CCCNCC1 299752261 TUKDCJSIKGTWPE-LLVKDONJSA-N 267.373 0.503 0 50 CCAA CO[C@@H](C)c1noc(CN(C)[C@H](C)C(=O)N(C)C)n1 331316196 IYJMWRVTPOUEGT-BDAKNGLRSA-N 270.333 0.686 0 50 CCAA CS(=O)(=O)CCN1CC[C@@](O)(c2ccccc2)C1 824864265 UVTJKOZLPLQUPH-ZDUSSCGKSA-N 269.366 0.625 0 50 CCAA O=C(O)C[C@@H](NC(=O)c1cncnc1)C(F)(F)F 829371826 PVXWDGPKUPIBPJ-ZCFIWIBFSA-N 263.175 0.612 0 50 CCAA O=C(O)[C@H]1CC12CCN(C(=O)CCc1cnn[nH]1)CC2 2325762885 OBCKXOULRBHCJJ-SNVBAGLBSA-N 278.312 0.451 0 50 CCAA Cn1ccc(CNC(=O)c2cnn3ccn(C)c23)c1 2325869110 YWODUINKHWVPFQ-UHFFFAOYSA-N 257.297 0.941 0 50 CCAA O=C(NC[C@@H](O)c1cccc(O)n1)c1ncccc1O 2356143748 VOBUKFCDUYOFQY-SNVBAGLBSA-N 275.264 0.351 0 50 CCAA CCNC(=O)C(=O)Nc1cc(OC)ccc1OC 2898405 JJJPDNIYXSCNCV-UHFFFAOYSA-N 252.270 0.778 0 50 CCAA COC(=O)[C@@]12COC[C@@H]1CN(Cc1cc(O)nc(C)n1)C2 2356156041 SUQBAOCFKCXGGQ-HZMBPMFUSA-N 293.323 0.112 0 50 CCAA CCc1ccccc1N[C@@H]1CS(=O)(=O)C[C@H]1O 4158575 RLDPGUMJZNEKKX-VXGBXAGGSA-N 255.339 0.819 0 50 CCAA Cc1n[nH]c(C)c1Cc1nnc(SCC(=O)O)n1C 67846989 JFGDYPHDIHMKSJ-UHFFFAOYSA-N 281.341 0.923 0 50 CCAA Cc1cc(=O)[nH]c(CCNC(=O)[C@@H](O)c2ccccc2)n1 67886214 XLDPCVGLGSJUAV-AWEZNQCLSA-N 287.319 0.471 0 50 CCAA O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1c[nH]c2ncnn2c1=O 102424912 OMBKNSHDXUTSLC-QXEWZRGKSA-N 287.323 0.726 0 50 CCAA CCOC[C@@H](O)CS(=O)(=O)Cc1ccccc1 23114748 GOQXFSYIXQXYJO-GFCCVEGCSA-N 258.339 0.999 0 50 CCAA O=C([C@H]1Cc2ccccc2CN1)N1CCC(O)(CO)CC1 67805516 AUAASYKZPQDCOX-CQSZACIVSA-N 290.363 0.047 0 50 CCAA CN(Cc1ccsc1)C(=O)CN1CC(=O)NC1=O 67673681 JKVFFDANRIBDQJ-UHFFFAOYSA-N 267.310 0.258 0 50 CCAA CCC[C@H]1C[C@@H]1NC(=O)c1cnc(COC)[nH]c1=N 331960765 LNAKQAWQMSETRA-WPRPVWTQSA-N 264.329 0.954 0 50 CCAA C[C@H](C(=O)NC1CC1)N1CCN(Cc2cncs2)CC1 123301957 PFDPMKXPWRKJGY-LLVKDONJSA-N 294.424 0.928 0 50 CCAA COc1nccc(NC(=O)NC2(CO)CCC2)n1 282584758 GKVIEASKMJEFHT-UHFFFAOYSA-N 252.274 0.522 0 50 CCAA COc1ccc(F)cc1C(=O)N1CCC[C@@](O)(C(N)=O)C1 285493805 LVHPXXYWWHTAMB-AWEZNQCLSA-N 296.298 0.287 0 50 CCAA COC(=O)c1cccc(NC(=O)N[C@@H]2CCNC2)c1 414877155 LMXIALLZBSQCRR-LLVKDONJSA-N 263.297 0.957 0 50 CCAA COc1ccsc1C(=O)N1CCOC[C@H]1C(=O)O 161406949 DVDPGWYJAVSEMK-ZETCQYMHSA-N 271.294 0.682 0 50 CCAA Cc1nc(C(=O)N2CCC[C@@H]2C(N)=O)c(C)s1 82290605 PKLKFPANCRSYHS-MRVPVSSYSA-N 253.327 0.850 0 50 CCAA O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1ccccc1 40386455 YPIAZKQFQZTKPC-SECBINFHSA-N 271.280 0.875 0 50 CCAA CC[C@H](C(=O)N1CC[C@@H](C(=O)O)C1)N1CCCC1=O 178261403 WPCRCAAMBFQVAO-NXEZZACHSA-N 268.313 0.321 0 50 CCAA O=C(Cn1ccc2ccccc21)N[C@@H]1CCOC[C@H]1O 223660815 NNZRKIAXBCFNSB-TZMCWYRMSA-N 274.320 0.907 0 50 CCAA C[C@@H](CS(C)(=O)=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 426478182 VWHOAMXNSICTGT-HHHUOAJASA-N 258.387 0.102 0 50 CCAA O=C1N[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)CO1 426423246 ATYRWEKNLJALAQ-ZDUSSCGKSA-N 289.335 0.971 0 50 CCAA O=C1CNC(=O)N1CC(=O)N1CCC[C@@H]1c1ccco1 91593617 GSERQUDGYRGWFU-SECBINFHSA-N 277.280 0.495 0 50 CCAA CNC(=O)CCN(C)C(=O)c1cc(F)ccc1OCCN 426477945 CYAKLEVEWAFUIL-UHFFFAOYSA-N 297.330 0.371 0 50 CCAA O=C(O)CN(C(=O)Cn1nnc2ccccc21)C1CC1 238077208 BTMWCYSIQOESSM-UHFFFAOYSA-N 274.280 0.507 0 50 CCAA O=C(NCCc1ncnn1CCO)c1ccc(F)cc1 91452305 BJFNYMBEYCSINZ-UHFFFAOYSA-N 278.287 0.382 0 50 CCAA COC(=O)N1[C@H]2C=C[C@@H]([C@@H](C(=O)O)[C@H]2C(=O)O)[C@H]1C 245247126 QAOKJXBCIUHDPZ-ZEBDFXRSSA-N 269.253 0.413 0 50 CCAA COc1cc(C(=O)NCC[C@]2(O)CCCOC2)sn1 622128319 ZFFVEVXTTGFDMC-GFCCVEGCSA-N 286.353 0.813 0 50 CCAA Cc1ccccc1CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 534581075 UEQKXQGOHOHSMM-NHAGDIPZSA-N 288.347 0.874 0 50 CCAA CCSCC(=O)N1CCN(c2nc[nH]n2)CC1 299758491 NWLMVEUCPSRIKY-UHFFFAOYSA-N 255.347 0.206 0 50 CCAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1c[nH]c(=O)cn1 828930837 TWUASVPKAIOVEY-LLVKDONJSA-N 289.339 0.811 0 50 CCAA CCN1CCN(C(C)(C)CNC(=O)c2cncnc2)CC1 823112754 CNZDONOSKPNTAX-UHFFFAOYSA-N 291.399 0.623 0 50 CCAA Cc1ccc(C(=O)NCC(=O)NCc2ccn(C)n2)cc1 1875254872 ZNTOXTJTTWRSBU-UHFFFAOYSA-N 286.335 0.775 0 50 CCAA O=C(CN1C(=O)CCCC1=O)NOCc1ccccn1 1875270914 HMJRSMIPEPVHNE-UHFFFAOYSA-N 277.280 0.169 0 50 CCAA O=C(NOc1ccc(F)cc1)[C@H]1CCS1(=O)=O 1875285266 IMTOIDXCHJNSEM-SECBINFHSA-N 259.258 0.423 0 50 CCAA CCn1ncnc1CNCCN=c1cc[nH]cc1C 952982817 COFGYTNWAZGLGT-UHFFFAOYSA-N 260.345 0.625 0 50 CCAA CCN1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N 952990154 GTUYQROTNKLNSH-QNWHQSFQSA-N 251.374 0.666 0 50 CCAA CCOCCN1CCC[C@H](CNC(=O)c2ccnnc2)C1 952977456 NAOBSVGPCVNJKA-CYBMUJFWSA-N 292.383 0.955 0 50 CCAA NC(=O)[C@H](O)C1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 1775959059 CGIUCFFPICCOPU-RBSFLKMASA-N 290.363 0.203 0 50 CCAA Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)C2CC(C)(O)C2)cn1 1775960015 NCJRSEKRPIIGDG-HFAULKRZSA-N 293.367 0.997 0 50 CCAA C=CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1353214472 NRKVZNKMYYAVJB-UHFFFAOYSA-N 298.339 0.845 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@H]1C(=O)O 300272248 LGAQPTRECZLLPT-OPRDCNLKSA-N 289.353 0.133 0 50 CCAA C[C@H]1C[C@@H]1C(=O)OCCCn1cnc2c(N)ncnc21 170598932 XDJFBRLYEWATRQ-IUCAKERBSA-N 275.312 0.998 0 50 CCAA CC1(C)CC[C@H](CN2CCN(C(C)(C)C(N)=O)CC2)O1 408336329 ZVRNXNMPIZLVML-GFCCVEGCSA-N 283.416 0.826 0 50 CCAA CN1C[C@H]2CN(C(=O)c3ccnn3CC(F)F)C[C@H]2C1 280096779 MCDAXAUJVPSGQR-AOOOYVTPSA-N 284.310 0.782 0 50 CCAA Cn1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1=O 188766539 KNJWPPNTCOZEKW-UHFFFAOYSA-N 283.331 0.919 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)c1ccc2nccn2c1 188902540 NLCCAOARGVCLOM-JTQLQIEISA-N 272.308 0.685 0 50 CCAA CCN(C(=O)N1CCC(OC)(OC)[C@@H](O)C1)C(C)C 585139419 XWTABWZIZILRCE-NSHDSACASA-N 274.361 0.892 0 50 CCAA CO[C@@H]1C[C@@H](NS(=O)(=O)c2cn[nH]c2)C12CCC2 713123990 SLFIZAJSEHKZTN-NXEZZACHSA-N 271.342 0.646 0 50 CCAA C[C@H](CS(C)(=O)=O)C(=O)N1CCOCC12CC2 573220398 UIIVHODVWJBHBK-SECBINFHSA-N 261.343 0.059 0 50 CCAA CC(C)(C)n1cnc(C(=O)N2C[C@H](F)C[C@H]2CO)n1 332654762 DPGPPIUXMIVXOU-BDAKNGLRSA-N 270.308 0.578 0 50 CCAA C[C@H]1CN(C(=O)CCOC2CCOCC2)C[C@H](C)N1 153712787 WKCZLNPGDFVTCC-RYUDHWBXSA-N 270.373 0.781 0 50 CCAA COCC[C@H](CO)NC(=O)C[C@@H](NC1CC1)C(F)(F)F 1615548858 IEHYHXKQDREQLA-NXEZZACHSA-N 298.305 0.573 0 50 CCAA CC1(C(=O)N2CCCN(C[C@H]3COCCO3)CC2)CC1 1772811051 SBHCZQWYNDUNTO-ZDUSSCGKSA-N 282.384 0.736 0 50 CCAA Cn1c(=O)c(=O)[nH]c2cc(Br)ccc21 5286055 BROVAGOLEYHCJM-UHFFFAOYSA-N 255.071 0.989 0 50 CCAA Cc1[nH]nc(CCC(=O)N2CCN3CC[C@H]2C3)c1C 1857684490 PTTQTEINYKEAMY-LBPRGKRZSA-N 262.357 0.876 0 50 CCAA O=C([C@H]1C[C@@H](O)CN1)N1CCCN(C2CCCC2)CC1 231403367 CLUQTVNEQGJUMM-ZIAGYGMSSA-N 281.400 0.186 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)c2ccoc2C2CC2)C1 643998729 SDOXJSKGHAQQPT-HNNXBMFYSA-N 292.335 1.000 0 50 CCAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N(CC(=O)O)C1CCOCC1 653558392 YHFQXKIPEUVQFF-CWSCBRNRSA-N 285.340 0.892 0 50 CCAA Cc1cnn(CC(=O)NCCc2nc(C(=O)O)cs2)c1 455882672 CRYSDMVLEYCIHT-UHFFFAOYSA-N 294.336 0.705 0 50 CCAA NC(=O)[C@]12CCC[C@H]1CN(Cc1ccnc(O)c1)C2 933748996 BBXVDNSZUCPQQF-FZMZJTMJSA-N 261.325 0.875 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H](C)C(=O)NC(C)(C)C 858760600 TYNLWSRNYBXFOT-SECBINFHSA-N 269.345 0.050 0 50 CCAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ncnn1C 276699021 NNQHVPLAJBLSIW-QMMMGPOBSA-N 284.316 0.994 0 50 CCAA Cc1cc(C(=O)N(CC(=O)O)C2CCC2)n(C)n1 655593451 CCWKQZNXWOBBCB-UHFFFAOYSA-N 251.286 0.808 0 50 CCAA COC1(C(=O)Nc2nnc3ccccn23)CC(N)C1 2325800820 HKRZWHDEJLYCOW-UHFFFAOYSA-N 261.285 0.174 0 50 CCAA O=C([C@H]1Cc2ccccc2O1)N1CCn2nccc2[C@H]1CO 2325810967 TYCSZUXEVPDFAK-UKRRQHHQSA-N 299.330 0.762 0 50 CCAA COc1cccc(C(=O)NC2CN(c3ccncn3)C2)n1 871184062 AHGUIXNSECXEQK-UHFFFAOYSA-N 285.307 0.499 0 50 CCAA CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 453311 RSIVSBAWSQRGLN-UHFFFAOYSA-N 282.365 0.848 0 50 CCAA COc1cc(C)nc(N2C[C@H](OC)C[C@H]2c2nc[nH]n2)n1 343316714 FHBUABVHRCLZAR-ZJUUUORDSA-N 290.327 0.878 0 50 CCAA CN(C)CCCNCCCNC(=O)c1cccnc1 1813700 KPPFAKOQSQNCLH-UHFFFAOYSA-N 264.373 0.743 0 50 CCAA Cc1c(CN2CCC[C@@]23CCCNC3=O)cnn1C 2356144555 CTJWHESHJFVVAI-CQSZACIVSA-N 262.357 0.973 0 50 CCAA CS(=O)(=O)N(CC(=O)O)c1ccc2c(c1)OCO2 4271417 MXGFMPSVDSCLME-UHFFFAOYSA-N 273.266 0.266 0 50 CCAA O=C(Cc1ccc(O)cc1)N1CC[C@H](N2CCOCC2)C1 133984254 QUYXTWBWWHVSOK-AWEZNQCLSA-N 290.363 0.868 0 50 CCAA CS(=O)(=O)CCNC(=O)CCN1CCCCCCC1 55035775 XJUBGUJKHRIDTC-UHFFFAOYSA-N 290.429 0.803 0 50 CCAA Cn1nc2c(cc1=O)CN(C(=O)Cc1ccoc1)CC2 332126985 FZOZFTYIQMFJSY-UHFFFAOYSA-N 273.292 0.501 0 50 CCAA O=C(CCn1ccnn1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 329340622 RQPWAXYTDSTCSA-UONOGXRCSA-N 276.340 0.838 0 50 CCAA CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)cc1 35188656 QDUHDSHCMVWLAM-VIFPVBQESA-N 259.327 0.744 0 50 CCAA OCCN1CCN(CCOc2ccccc2)CC1 32498056 CYLWDKPECYZKKY-UHFFFAOYSA-N 250.342 0.675 0 50 CCAA CN(C)S(=O)(=O)N1CCCN(C(=O)C2CCC2)CC1 75019118 ZWMGNNQATJUOIK-UHFFFAOYSA-N 289.401 0.127 0 50 CCAA COc1ccc(CCNC(=O)[C@H]2NCCO[C@@H]2C)cc1F 261865936 CRJCYBUUFDSMKF-YGRLFVJLSA-N 296.342 0.870 0 50 CCAA CN(C(=O)CN1CC[C@](C)(CN)C1)c1nccs1 261921373 YSGWQWIMYVILAR-GFCCVEGCSA-N 268.386 0.777 0 50 CCAA O=C(O)CNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 238190132 QVEXOBXOKAKGTG-WDEREUQCSA-N 282.340 0.616 0 50 CCAA CCO[C@@H]1C[C@@](NC(=O)[C@@H]2CCCO2)(C(=O)O)C1(C)C 262685460 AGKWUMMMTGIZQL-IMSIIYSGSA-N 285.340 0.940 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2oc(C)cc2C)C1 284783710 IGWWPRDHYOHJNM-UWVGGRQHSA-N 266.297 0.611 0 50 CCAA Cc1ccc(CCNC(=O)CN2CCOCC2)o1 219762744 YUTUBOGMCBHIPS-UHFFFAOYSA-N 252.314 0.579 0 50 CCAA COc1ccc(F)cc1C(=O)N[C@@H]1CCOC[C@H]1O 222403556 KUNSHUKLNWCCNB-GHMZBOCLSA-N 269.272 0.714 0 50 CCAA C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@]2(CCOC2)O1 527276002 QJAWFYQJGJOUBM-RISCZKNCSA-N 279.340 0.369 0 50 CCAA C[C@@H](O)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 82096451 YJSUIZIHNHQXGT-SNVBAGLBSA-N 289.335 0.793 0 50 CCAA CO[C@@](C)(C(=O)N1CCN(c2cnccn2)CC1)C1CC1 292593076 LTARNASHGCSDSO-OAHLLOKOSA-N 290.367 0.940 0 50 CCAA CN(CCn1cccn1)C(=O)Cn1ccccc1=O 97492472 AQKBVDFKMJCIBB-UHFFFAOYSA-N 260.297 0.203 0 50 CCAA COC(=O)NCC(=O)N1CCC[C@H](Cn2ccnc2)C1 91665120 CUCJYHJUADPQSE-LLVKDONJSA-N 280.328 0.478 0 50 CCAA C[C@H]1CN(C(=O)[C@@H]2CCCCO2)CCN1S(C)(=O)=O 180292238 IXAFORPPVOEMPR-QWRGUYRKSA-N 290.385 0.048 0 50 CCAA Cc1csc(CN(C)C(=O)CN2CCN(C)C2=O)n1 95512988 LHYFMESAAYSQSU-UHFFFAOYSA-N 282.369 0.777 0 50 CCAA CN[C@@H](C)C(=O)NCCCn1c(C)cccc1=O 244817142 SUWBJJOYQFTRDH-NSHDSACASA-N 251.330 0.271 0 50 CCAA C[C@@H]1SCCN(C(=O)[C@H]2CCNC(=O)C2)[C@@H]1C 245986615 FGNFAFGVXYHAQM-UTLUCORTSA-N 256.371 0.865 0 50 CCAA Cc1c(S(=O)(=O)NCc2noc(C3CC3)n2)cnn1C 534630545 YTCGALQMZFHTRG-UHFFFAOYSA-N 297.340 0.467 0 50 CCAA O=C(C[C@H]1CC1(F)F)NCC1(CO)CCOCC1 534673137 PTIUPDPZFQGROV-VIFPVBQESA-N 263.284 0.937 0 50 CCAA CC(C)n1ccnc1CNC(=O)Cn1cccnc1=O 534655040 XJCDRHNRSUGOSL-UHFFFAOYSA-N 275.312 0.337 0 50 CCAA C[C@H](NC(=O)c1nccn1C)c1nnc(N)s1 584894553 ZVBZUBMOKLKMRQ-YFKPBYRVSA-N 252.303 0.345 0 50 CCAA CCOCC(=O)N1CCC(C(=O)N2CC[C@H](CO)C2)CC1 584886409 KFCBBXNHOBAMTP-LBPRGKRZSA-N 298.383 0.102 0 50 CCAA O=C1CC[C@@H](NC2CCN(C3CCOCC3)CC2)CCN1 828305394 LATTVMCZWJMCJZ-CYBMUJFWSA-N 295.427 0.888 0 50 CCAA CN(C)C(=O)CC[C@H]1CCCN(S(C)(=O)=O)C1 827868472 WNFQRTHUSFSTAG-SNVBAGLBSA-N 262.375 0.526 0 50 CCAA CN1CC[C@@](C)(CN(C)C(=O)c2cnc(N)s2)C1 584903119 ZUKSUMBEJMFFGF-GFCCVEGCSA-N 268.386 1.139 0 50 CCAA C[C@H](NC(=O)C(=O)c1cccn1C)c1nnc(N)s1 584886046 KTUFSUYXYZKNBN-LURJTMIESA-N 279.325 0.519 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)c2cscn2)C1 670451057 CIOCYPHZIBFXEP-SNVBAGLBSA-N 269.370 0.793 0 50 CCAA CN1C[C@@]2(CCN(C3CCOCC3)C2)OCC1=O 670467824 ARXIQGDYETXGRR-CYBMUJFWSA-N 254.330 0.099 0 50 CCAA Cc1nc(CN(C)C(=O)c2ccc3nc(O)[nH]c3n2)n[nH]1 1875334778 DVTHUAACCKUPBW-UHFFFAOYSA-N 287.283 0.362 0 50 CCAA C=CC(=O)N1CC(C(=O)NCCc2ncc(F)cc2F)C1 1875387188 SRRHORNGYMAMAR-UHFFFAOYSA-N 295.289 0.663 0 50 CCAA CNS(=O)(=O)CCn1cc([C@@H]2CCCCO2)nn1 1875282458 FTIYBPJFTOREOJ-JTQLQIEISA-N 274.346 0.069 0 50 CCAA O=C1NN(C2CCCCCC2)C(=O)[C@@H]2OCC[C@H]12 1875269630 JSQMIBHWHJVRSY-WDEREUQCSA-N 252.314 0.988 0 50 CCAA O=C1NCCN1CCNC(=O)N1CCC[C@@H]1C1CCC1 1875270184 IRPAVHGYJIXLDA-GFCCVEGCSA-N 280.372 0.986 0 50 CCAA CC1=C(C(=O)N2CCN(c3cnccn3)CC2)OCCO1 952972728 VRVTVKXTFXFUOZ-UHFFFAOYSA-N 290.323 0.404 0 50 CCAA CC1CCN(Cc2cn(Cc3nc(O)n[nH]3)nn2)CC1 883993680 RRKUJKXPHSTVLZ-UHFFFAOYSA-N 277.332 0.382 0 50 CCAA CC(C)(C)OC(=O)N1CC(O)(C2CCNCC2)C1 1772715926 AKEXZKAYVNDQQW-UHFFFAOYSA-N 256.346 0.968 0 50 CCAA COc1nn(C)cc1NC(=O)NCCc1cn[nH]c1 1333139579 ZGWSJSSCINKVFK-UHFFFAOYSA-N 264.289 0.516 0 50 CCAA O=C(CCn1cnnn1)N1CC(Oc2ccccc2)C1 1771915358 PJCHCQYCYMIUPI-UHFFFAOYSA-N 273.296 0.353 0 50 CCAA O=C(C[C@@H]1CCCO1)N1CCCC[C@H]1Cc1nn[nH]n1 1775987585 DXWQQGFWKMWXTG-QWRGUYRKSA-N 279.344 0.692 0 50 CCAA CC(C)N1CCN(C(=O)N[C@H]2CCn3ccnc32)CC1=O 1478685972 XUANYTKDHDCMSM-NSHDSACASA-N 291.355 0.590 0 50 CCAA Cc1nc2c(C(=O)N3CCCn4nncc4C3)ccnc2[nH]1 899334944 KKGHGNVJOWHLEL-UHFFFAOYSA-N 297.322 0.904 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1565517200 AONWDXMPJZWIBA-JQWIXIFHSA-N 276.340 0.505 0 50 CCAA O=S(=O)(Cc1cnn(CCF)c1)[C@@H]1CCCOC1 899483629 RJRYKGQKQCCQOM-LLVKDONJSA-N 276.333 0.946 0 50 CCAA COc1cc(C(=O)N2CCC[C@@H](N(C)C)CC2)nn1C 277150775 IOYJBUXASHPTET-LLVKDONJSA-N 280.372 0.985 0 50 CCAA Cc1ccncc1S(=O)(=O)NC(=O)[C@@H]1CC1(F)F 408500728 ODSQHLFKHXDOIN-ZETCQYMHSA-N 276.264 0.850 0 50 CCAA CCn1nnc(C)c1CN1CCC[C@@]1(COC)C(N)=O 643764292 TXSYVLGINICPCT-CYBMUJFWSA-N 281.360 0.073 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(c2nc(C(C)C)no2)C1 643721081 RREJRVCWHFYPME-ZDUSSCGKSA-N 282.344 0.660 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(C)nn1 643946004 UNNYIXODECKJRZ-CQSZACIVSA-N 292.339 0.152 0 50 CCAA Cn1nccc1[C@@H](NC(=O)C[C@@H]1CCCC[C@H]1O)C(=O)O 647769419 WPGCWZYBMZEGPO-UFGOTCBOSA-N 295.339 0.603 0 50 CCAA CNc1nc(C)ccc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 585134079 CZBDQUCWHXBSBV-LDYMZIIASA-N 276.340 0.625 0 50 CCAA CN1CCC[C@]2(CO)CCN(C(=O)c3cn(C)cn3)C[C@@H]12 1704326513 YTTWMGQNJHFPQW-UKRRQHHQSA-N 292.383 0.339 0 50 CCAA CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(C(N)=O)C2)O1 408244167 AIBAUJGCOSGTQP-OPRDCNLKSA-N 255.318 0.213 0 50 CCAA C[C@@H]1CCN(S(=O)(=O)c2ccnn2C)[C@@H]([C@@H](C)O)C1 408425991 ILANNUFWZGQXCD-GMTAPVOTSA-N 287.385 0.590 0 50 CCAA CCOC(=O)c1cnc(N2CCOCC2)nc1O 8772769 JUWSURXCRLIMJE-UHFFFAOYSA-N 253.258 0.196 0 50 CCAA in-vitro O=C(NCCn1ccnn1)c1c(O)cccc1F 131765612 RVZOEPLPDLMOPJ-UHFFFAOYSA-N 250.233 0.553 0 50 CCAA CS(=O)(=O)NC(=O)c1cnc2onc(C3CC3)c2c1 1875390480 APIVXVCZXMNTDI-UHFFFAOYSA-N 281.293 0.790 0 50 CCAA Nc1ccn2ncc(C(=O)N3CC[C@@H](F)[C@H](N)C3)c2c1 1615552802 HMTQFDPBCTXTRC-GHMZBOCLSA-N 277.303 0.428 0 50 CCAA Cc1nsc(C(=O)NCCOC[C@@H]2CCOC2)c1N 1615586282 MCHQIHWPGDWWAC-SECBINFHSA-N 285.369 0.817 0 50 CCAA O=C(NCC1CSC1)NC[C@@H]1CN2CCCN1CC2 1616034655 LDBXTLONMVHCND-GFCCVEGCSA-N 284.429 0.039 0 50 CCAA CN(CCCN1CCOCC1)CC[C@H]1COCCO1 1775984221 KKRPBRDDGIKBDM-AWEZNQCLSA-N 272.389 0.446 0 50 CCAA O=C(N[C@]12CCC[C@@H]1NCC2)c1ccc2c(n1)CNCC2 1646780588 COUJFQQXOOSAQZ-HOCLYGCPSA-N 286.379 0.742 0 50 CCAA Nc1cc(=O)[nH]c(SCC(=O)Nc2ccccn2)n1 18227517 BKVLPZSJBQTIAT-UHFFFAOYSA-N 277.309 0.478 0 50 CCAA CN(C)c1nccc(N2CCC(C)(C)S(=O)(=O)CC2)n1 408455318 XHSMGDKWUOBKHE-UHFFFAOYSA-N 298.412 0.946 0 50 CCAA CN1CCO[C@H](CNC(=O)Cc2cnn3ccccc23)C1 648756105 LAEVWOPAFHFGGX-CYBMUJFWSA-N 288.351 0.324 0 50 CCAA C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN2CCC1CC2 241447086 NRBCLIKTNRTBMZ-NSHDSACASA-N 291.351 0.705 0 50 CCAA Oc1nncn1C1CCN(CCOC2CC2)CC1 930285258 PSTUFAQDOTWXMM-UHFFFAOYSA-N 252.318 0.800 0 50 CCAA COC[C@H](O)CN1CC[C@@H](N(C)Cc2ncc(C)o2)C1 222075166 WIWRIQWQDCHJAS-CHWSQXEVSA-N 283.372 0.496 0 50 CCAA CO[C@H](CNC(=O)c1[nH]nc2ccccc12)C(=O)O 227278947 CMIQMAWQBNHVLE-SECBINFHSA-N 263.253 0.392 0 50 CCAA COc1cc(C(=O)N2C[C@H](O)C[C@H]2C)cc(C)n1 407968710 UUCULZPPNSSJII-MWLCHTKSSA-N 250.298 0.994 0 50 CCAA O=C(c1ccc2[nH]nnc2c1)N1CCOC[C@@H](CO)C1 77425114 MGKYASZSFAHBRU-SECBINFHSA-N 276.296 0.039 0 50 CCAA FC(F)(F)c1ccc(-c2nnn(Cc3nnn[nH]3)n2)cc1 4753766 GVCYOLZARYQHFI-UHFFFAOYSA-N 296.216 0.920 0 50 CCAA Cc1ccc2nc(CN3CC[C@@H](O)[C@H](C(=O)O)C3)cn2c1 2100542933 KFVKHUDYLOGUBA-CHWSQXEVSA-N 289.335 0.910 0 50 CCAA COC(=O)c1ccc(C(=O)O[C@H]2C[C@H](n3cncn3)C2)[nH]1 2325798847 DHKIOHRFONSYJW-KYZUINATSA-N 290.279 0.953 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)C(=O)C1CCCCC1 2325811227 DYKROIUFFLGFSP-MWLCHTKSSA-N 266.341 0.919 0 50 CCAA O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 1926480 WPKVALCKNGRKBE-SNVBAGLBSA-N 284.262 0.740 0 50 CCAA C[C@H]1C(=O)N(C2CC2)Cc2nnc(Cn3cccn3)n21 2356153672 QBXAFUJHLVFECW-VIFPVBQESA-N 272.312 0.589 0 50 CCAA CN(C)c1nsc(N2CCC3(CC2)CNC(=O)CO3)n1 2356156702 NDFIFAYWQLMRNZ-UHFFFAOYSA-N 297.384 0.090 0 50 CCAA C[C@]1(NC(=O)N2CCCCC2)CCS(=O)(=O)C1 4559413 UZVGYGQDEWSUJV-NSHDSACASA-N 260.359 0.759 0 50 CCAA CC(C)(CC(N)=O)NC(=O)c1ccc(C(=O)O)cc1 227084212 CKNJWCSTLGUIFV-UHFFFAOYSA-N 264.281 0.769 0 50 CCAA O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccnc1 103764170 AMIPRWQADJMDPA-GAIPPQHRSA-N 283.287 0.534 0 50 CCAA COC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C 26898740 RNMVWSAJMIKMDY-IUCAKERBSA-N 259.302 0.920 0 50 CCAA O=C(O)c1cccc(-n2c(CCCO)n[nH]c2=O)c1 65528943 LBUWIQGETUBFLW-UHFFFAOYSA-N 263.253 0.184 0 50 CCAA CN(CC(=O)Nc1ccccc1F)S(C)(=O)=O 22606471 SLJOPAXGQZOXPM-UHFFFAOYSA-N 260.290 0.656 0 50 CCAA Cc1ccccc1[C@]1(O)CCN(CCn2cnnn2)C1 20351602 FNPVYDOSPBMMJN-AWEZNQCLSA-N 273.340 0.575 0 50 CCAA Cn1cncc1CN1C(=O)C2(CCSCC2)N=C1O 329622892 RXUSKPFAVBVONT-UHFFFAOYSA-N 280.353 0.942 0 50 CCAA Nc1nc(CCCNC[C@@]2(O)CCCNC2)cs1 72430681 BLPAAJRQTOZWTL-LBPRGKRZSA-N 270.402 0.362 0 50 CCAA COC[C@@H](O)CN1CCOC[C@H]1c1c(C)n[nH]c1C 330585531 WGYBHXOLKDVVQN-RYUDHWBXSA-N 269.345 0.407 0 50 CCAA O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@@H](O)C1 216092840 FJQKSYDEDYDHLB-GFCCVEGCSA-N 258.281 0.474 0 50 CCAA CN(C)C(=O)NCC(=O)N[C@H]1COc2ccccc2C1 216196133 ZJOGWDAFBBMTPM-LLVKDONJSA-N 277.324 0.378 0 50 CCAA Cn1c(O)ncc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2CC3)c1=O 333776870 SSFWDLZWWSTNEA-GARJFASQSA-N 289.335 0.818 0 50 CCAA CCCc1nc(=NC(=O)N2CC[C@@H](O)C2)s[nH]1 340243155 DHDMGJSXVPRLBW-SSDOTTSWSA-N 256.331 0.511 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1OC 333965175 PSGJGMSSTXJASV-PQCBQTOFSA-N 269.341 0.863 0 50 CCAA O=C1CCCN1C[C@H](O)CN1CCc2ccnc(O)c2C1 369604220 RVYHFZCOGJVJGH-GFCCVEGCSA-N 291.351 0.129 0 50 CCAA COc1c(F)cccc1C(=O)N1CC[C@](O)(CN(C)C)C1 72128386 RMDKFBDNVKTQBL-HNNXBMFYSA-N 296.342 0.973 0 50 CCAA Cc1cnc(CNS(=O)(=O)NCc2ccccc2)cn1 71746725 TUEOCKADPZCGHE-UHFFFAOYSA-N 292.364 0.909 0 50 CCAA O=C(O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 262409395 LHLZFNRNPNNQON-UHFFFAOYSA-N 284.215 0.463 0 50 CCAA CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)C[C@H]1CCCO1 245872331 LOWPCGFDEGECEQ-HTQZYQBOSA-N 291.291 0.350 0 50 CCAA O[C@@]1(Cn2ccnn2)CCCN(c2ncnc3[nH]ccc23)C1 284879384 ZFLCIBFRIJKLIN-AWEZNQCLSA-N 299.338 0.581 0 50 CCAA COC(=O)c1cc(CNC(=O)N(C)CCC(=O)O)oc1C 263134324 ZCFMZLOHOOENPE-UHFFFAOYSA-N 298.295 0.991 0 50 CCAA CNC(=O)[C@H]1CCCN(C(=O)[C@H](N)C(C)(C)C)C1 227803431 HHQNELVLAASJEN-UWVGGRQHSA-N 255.362 0.344 0 50 CCAA CC(C)c1cc(C(=O)NC[C@@H]2CCC(=O)N2C)n(C)n1 82121630 XWQTWWWDRIVMPJ-JTQLQIEISA-N 278.356 0.894 0 50 CCAA O=C1[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(F)cc1 222256705 PTRCHJYTVZWXFU-YXMPFFBPSA-N 289.262 0.631 0 50 CCAA CCOC(=O)[C@H]1Cc2cc(OC)c(O)cc2CN1 96027741 HXKVPMWDOOPPCY-SNVBAGLBSA-N 251.282 0.978 0 50 CCAA CC(C)c1nc(CCN(C)C(=O)CN2CCOC2=O)no1 95506955 CBSLOWKYAQALTG-UHFFFAOYSA-N 296.327 0.646 0 50 CCAA CC(C)[C@H](NC(=O)CSCC(N)=O)c1nccn1C 534641746 MZPQFCHQTDTJSF-NSHDSACASA-N 284.385 0.452 0 50 CCAA Cc1cnc([C@@H](C)NC(=O)CN2CCCCC2=O)[nH]1 534672404 OYRQKWJGUYOADP-SNVBAGLBSA-N 264.329 0.908 0 50 CCAA CN1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C[C@H]2C1 368036661 ATPCWONAYBFSCG-MJBXVCDLSA-N 291.395 0.407 0 50 CCAA O=C(NCCc1nnc2n1CCNCC2)C1CCCCC1 299780750 BCBRQLFDVYCUCK-UHFFFAOYSA-N 291.399 0.663 0 50 CCAA CS(=O)(=O)CCC(=O)N[C@@H]1COc2ccccc2C1 298786973 WAGLGXIJKVYXDR-NSHDSACASA-N 283.349 0.541 0 50 CCAA CC1(C)CC(NCc2nc(N)n[nH]2)CC(C)(C)N1 827547385 FFMALVGUVAFUNW-UHFFFAOYSA-N 252.366 0.786 0 50 CCAA C[C@H](Cn1ccnc1)NCCN1CCC(CO)CC1 828719500 DKKSUZFTMSDHMT-CYBMUJFWSA-N 266.389 0.566 0 50 CCAA Cc1nc(-c2ccc(C(=O)N3CC[C@H](N)C3)cc2)n(C)n1 584895198 WFBGDYLIAGPKCD-ZDUSSCGKSA-N 285.351 0.964 0 50 CCAA COc1cccc([C@@H]2CCN(S(N)(=O)=O)C2)c1OC 670456069 RPDYCXOQDRYMIP-SECBINFHSA-N 286.353 0.697 0 50 CCAA Cc1cccc(-c2cn(C[C@@H]3CNC(=O)O3)nn2)n1 864638169 KOFMTORXRQHNAH-VIFPVBQESA-N 259.269 0.757 0 50 CCAA CCC[C@H](NC(=O)c1cc2n(n1)CCO2)C(=O)O 585135017 ULXSFDZRLYBOMR-ZETCQYMHSA-N 253.258 0.259 0 50 CCAA CCc1nc(CN(C)C[C@@H]2CC(=O)N(C)C2)n[nH]1 670444681 NOEQTAJVFNHHLP-VIFPVBQESA-N 251.334 0.277 0 50 CCAA CC(C)c1noc(=O)n1CC(=O)NCC(F)(F)F 1875391668 QZLZIJHUNJSGGN-UHFFFAOYSA-N 267.207 0.638 0 50 CCAA COc1cccc(NC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)n1 952881897 SNGULZBANRTJNC-OWXODZSWSA-N 281.337 0.827 0 50 CCAA CC1(C)CN(CCNC(=O)[C@H]2NCC23CCCC3)CCO1 888101517 GCRSLHKNKHTKNA-CYBMUJFWSA-N 295.427 0.746 0 50 CCAA COc1nccc(C(=O)N2C[C@H](N)C3(CCC3)C2)n1 1775961920 IPYHHYBPYRLSLP-JTQLQIEISA-N 262.313 0.439 0 50 CCAA NC(=O)[C@H](O)C1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 1775959058 CGIUCFFPICCOPU-KFWWJZLASA-N 290.363 0.203 0 50 CCAA CCN(CC)c1ccc(C(=O)NC[C@H](O)[C@@H](C)O)cn1 1776000591 ZDWYFEAVLNMCEH-PWSUYJOCSA-N 281.356 0.399 0 50 CCAA O[C@H]1CCc2cnn(Cc3nnnn3-c3ccccc3)c2C1 682188829 INUVOLSXJCEQLK-ZDUSSCGKSA-N 296.334 0.757 0 50 CCAA CC[C@H](C)[C@H](NC(=O)c1ccc[n+]([O-])c1)C(=O)O 170692475 XURUQYPWFQOXQM-WPRPVWTQSA-N 252.270 0.549 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1CCCOCC1 1326745395 XOOLJWYCNZLBNK-UHFFFAOYSA-N 263.297 0.922 0 50 CCAA C[C@H]1[C@@H](C)N(C(=O)c2cc(O)n(C)n2)CC[S@]1=O 597277409 ZSHPTHBWBYHUHL-PUERIAAYSA-N 271.342 0.107 0 50 CCAA Cn1cc(Cn2cc(COc3ncccn3)nn2)cn1 656446704 YQHAFFMKIDPOTP-UHFFFAOYSA-N 271.284 0.429 0 50 CCAA COC(=O)[C@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C 209811293 JFCNGYNPDVUMGR-DTWKUNHWSA-N 258.318 0.757 0 50 CCAA Cc1nn2c(NC(=O)[C@]3(C)CCCO3)csc2nc1=O 1506405706 LCPLBDRSCUHOMC-LBPRGKRZSA-N 294.336 0.967 0 50 CCAA O=C(NCCC1CCOCC1)[C@]12CNC[C@H]1CCOC2 1615614287 DRSVGNNKYOTIED-HIFRSBDPSA-N 282.384 0.545 0 50 CCAA NC(=O)CCCn1cc(-n2ccnc2-c2cncnc2)cn1 1857675913 HKNDFKMBDZBOOR-UHFFFAOYSA-N 297.322 0.791 0 50 CCAA Cn1nc(C(=O)NCc2cn3ccncc3n2)nc1Cl 1857699600 VNOWTOOCNPPFNW-UHFFFAOYSA-N 291.702 0.441 0 50 CCAA Cn1cncc1CNCCCCN1CCC[C@H]1CO 111386219 HEZGVOWPHJKNCI-ZDUSSCGKSA-N 266.389 0.747 0 50 CCAA COc1cc(O)ncc1C(=O)N[C@H]1CCCOC1 932148728 RXIMARXVOAUZPS-QMMMGPOBSA-N 252.270 0.705 0 50 CCAA NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[C@H]2C3)cc1 101056228 XBCAGUFYTJIKEW-ONGXEEELSA-N 280.349 0.959 0 50 CCAA C[C@@H](C(=O)N1CCOCC1)N1CCC[C@@H](C2OCCO2)C1 229785641 XGKUJNGZKXBNNV-QWHCGFSZSA-N 298.383 0.319 0 50 CCAA Cn1cc(CN2Cc3ccccc3C[C@H]2C(=O)O)nn1 236110745 GFVXCRRFNKFLPD-ZDUSSCGKSA-N 272.308 0.827 0 50 CCAA Cn1nnc(CN2CCCc3c(C(=O)O)cccc32)n1 236144453 VKQDCNWVMGSVCY-UHFFFAOYSA-N 273.296 0.861 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CO)c(C)c1 168672921 FQYKEPPMSGSIAN-GFCCVEGCSA-N 285.365 0.685 0 50 CCAA O=C1NC(=O)N2CCN(C(=O)CCCC(F)(F)F)C[C@@H]12 330631223 FMRMXNPHGPFFDB-ZETCQYMHSA-N 293.245 0.482 0 50 CCAA O=C(O)CCN1CCN(C(=O)[C@H]2CC23CCC3)CC1 426517763 CWIAYZYKMXBPPY-LLVKDONJSA-N 266.341 0.796 0 50 CCAA CCc1nc(C)c(C(=O)NCCCc2nn[nH]n2)o1 584888072 XDLCBKFPAGWING-UHFFFAOYSA-N 264.289 0.421 0 50 CCAA COc1ccc([C@H]2CCN(C(=O)Cc3nn[nH]n3)C2)cc1 2325738519 NGUBCMGWRMYDSJ-NSHDSACASA-N 287.323 0.767 0 50 CCAA CNC(=O)N(O)[C@H]1N(C)C(=O)N(C(C)C)C1(C)C 206907 FSHFSOWBMGSXJK-MRVPVSSYSA-N 258.322 0.898 0 50 CCAA C1CCc2sc3c(c2CC1)-c1nnnn1-c1nnnn1-3 503582 VUWZMBYBBRCWQF-UHFFFAOYSA-N 286.324 0.949 0 50 CCAA CC(=O)CC(=O)Nc1cccc(NC(=O)CC(C)=O)n1 1736642 DHZQCPZPEGHVNI-UHFFFAOYSA-N 277.280 0.917 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)CCN1CCCCO1 55307562 UCPHDTAMVGIQEN-NSHDSACASA-N 286.328 0.106 0 50 CCAA CCN1C[C@@H](C(=O)NCCN2CCCC[C@H]2C)CC1=O 248088163 KWUAOYYOHFRLKX-OLZOCXBDSA-N 281.400 0.845 0 50 CCAA Cc1csc([C@@H](C)NS(=O)(=O)N2CCOCC2)n1 67951037 BSWJUFNYXAWULC-SECBINFHSA-N 291.398 0.679 0 50 CCAA N=c1nc(CCNC(=O)Cc2cccc(C(=O)O)c2)o[nH]1 347384294 YOPHVZOMPKQQRN-UHFFFAOYSA-N 290.279 0.082 0 50 CCAA CCCN1CCCN(Cc2cnc(N(C)C)n2C)CC1=O 425337713 NONMRZYAONCHSH-UHFFFAOYSA-N 293.415 0.930 0 50 CCAA Cc1ccc(C2(O)CCN([C@@H](C)C(N)=O)CC2)nc1 67675490 QPVQKUASZLSVHF-NSHDSACASA-N 263.341 0.547 0 50 CCAA COc1ccc([C@H](O)Cn2nnc(CO)c2CO)cc1 409444168 MJHLEASMNHKLRX-CYBMUJFWSA-N 279.296 0.005 0 50 CCAA C[C@@H]1CCCN(C(=O)CCN2CCS(=O)(=O)CC2)C1 65394096 LOCUYMKQPFRHAL-GFCCVEGCSA-N 288.413 0.365 0 50 CCAA C[C@@H](N)[C@H]1CN(C(=O)CCC(F)(F)F)CCO1 122902824 DFQZXDHFNVZNGV-HTQZYQBOSA-N 254.252 0.904 0 50 CCAA CCOC(=O)C[C@H](O)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C 253404559 MDIPWINHJAZJNZ-IMSIIYSGSA-N 287.356 0.620 0 50 CCAA Cc1c(S(=O)(=O)NCC[C@@H]2CCOC2)cnn1C 330169165 BGRXDSHJQSUCNN-SNVBAGLBSA-N 273.358 0.433 0 50 CCAA CSc1ncc(C(=O)NCc2nnc3n2CCC3)cn1 219904487 GCUYSEHVTDFXGT-UHFFFAOYSA-N 290.352 0.666 0 50 CCAA Cc1nc(CN2CCC(c3nc(O)n[nH]3)CC2)no1 333386124 BSHCCJRRZOPULA-UHFFFAOYSA-N 264.289 0.581 0 50 CCAA Cc1c(C(=O)N2C[C@@H](C)[C@](C)(CN)C2)cnn1C 335390086 LTZXXAOMQVNVJS-NOZJJQNGSA-N 250.346 0.785 0 50 CCAA CCN1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1cnn(C)c1 241776853 RTEDGJLAQBZRMY-KGLIPLIRSA-N 292.383 0.284 0 50 CCAA CN(Cc1cc2n(n1)CCCNC2)C[C@H]1COCCO1 72154532 BFPHGCUFXHXYME-AWEZNQCLSA-N 280.372 0.224 0 50 CCAA C[C@@H](O)C(=O)N1CCN(Cc2cc(CO)ccc2F)CC1 528429956 IRIULZZOAKNEOT-LLVKDONJSA-N 296.342 0.343 0 50 CCAA CC(C)[C@@H](CC(=O)O)NC(=O)CN1CCCN(C)CC1 426699865 DMFRUNAKSGUGJG-GFCCVEGCSA-N 285.388 0.239 0 50 CCAA CCC[C@H](NC(=O)CN(C)C(N)=O)c1nccn1C 426574840 HENYLKYVWIWVTP-VIFPVBQESA-N 267.333 0.388 0 50 CCAA O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@@H]1COCCO1 80939816 VOHOLASRWPIJHI-LBPRGKRZSA-N 293.298 0.776 0 50 CCAA CN1CC[C@@H](C(=O)N2CC[C@@](C)(C(=O)O)C2)CC1=O 178260898 VXJDBSWIZRJFOS-NOZJJQNGSA-N 268.313 0.178 0 50 CCAA CN(CCc1ccccn1)C(=O)CN(C)C1CCNCC1 97675512 WGIXNNOHORQQOJ-UHFFFAOYSA-N 290.411 0.766 0 50 CCAA O=C1CCC2(CCNCC2)CN1Cc1ccncn1 91643725 LOVKARYZGMQWER-UHFFFAOYSA-N 260.341 0.969 0 50 CCAA CCC[C@H]1CN(c2nccc(N)n2)C[C@@H]1NS(C)(=O)=O 91644315 UDHDLWAMGRJKAF-UWVGGRQHSA-N 299.400 0.213 0 50 CCAA C[C@H]1CN(CNC(=O)[C@H](O)c2ccccc2)C[C@@H](C)O1 96026524 NRXIDDDXFLVSRX-MBNYWOFBSA-N 278.352 0.903 0 50 CCAA Cc1[nH]nc(C(=O)N2CCN(C)[C@H](CCO)C2)c1Cl 426531757 OWKLODHPSHDFHR-SECBINFHSA-N 286.763 0.510 0 50 CCAA COc1cccc2c1OC[C@@H](CNS(C)(=O)=O)C2 95390898 MNGQUNXDZJPEHR-SECBINFHSA-N 271.338 0.796 0 50 CCAA CN1C(=O)[C@H](Cc2nc(C3CCOCC3)n[nH]2)N(C)C1=O 97527169 PQTZTJDUTLUERH-VIFPVBQESA-N 293.327 0.134 0 50 CCAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2cnc[nH]c2=O)C1 91736194 SZZHEYWWERLEFJ-AWEZNQCLSA-N 293.323 0.877 0 50 CCAA CCc1nccn1CCNC(=O)C[C@H](C)N1CCOCC1 244633388 GCDYQMATZYGMOB-ZDUSSCGKSA-N 294.399 0.673 0 50 CCAA O=C(NCC1(CN2CCCC2)CC1)c1cncc(=O)[nH]1 534587193 SBLIUDTXZARFES-UHFFFAOYSA-N 276.340 0.376 0 50 CCAA CCc1nc(CN2CCC3(CC2)CNC(=O)O3)n[nH]1 299778684 QKICSAWKWLQTIN-UHFFFAOYSA-N 265.317 0.442 0 50 CCAA CN(CC(=O)Nc1cnccn1)C[C@H]1CCOC1 659987138 GFOKDZSECMXQLR-SNVBAGLBSA-N 250.302 0.383 0 50 CCAA CCOC(=O)N1CC[C@@H](NCC2(CO)CCOCC2)C1 823241559 OPSBKGZOCXQKJK-GFCCVEGCSA-N 286.372 0.596 0 50 CCAA O=C(NN1C[C@H](C(=O)O)CC1=O)c1ccccc1F 585122792 JYZLVESLVBPXCX-SSDOTTSWSA-N 266.228 0.404 0 50 CCAA COC[C@@H](c1ccnn1C)n1cnc2cccnc2c1=O 584894139 VJZNUFALCNUGJN-LBPRGKRZSA-N 285.307 0.761 0 50 CCAA CCC1(CC)CN(C(=O)CC[C@@H]2NC(=O)NC2=O)CCO1 584891537 DCSCTZHXQDFZHQ-JTQLQIEISA-N 297.355 0.392 0 50 CCAA NC[C@@H]1CCN(C[C@H](O)COc2ccccc2)C1 864096849 KCNMCRQKHFOQHF-STQMWFEESA-N 250.342 0.707 0 50 CCAA O=C(Cc1cncnc1)N1CCC(c2nc(O)n[nH]2)CC1 1875255219 ZOJLPVACNVCHTM-UHFFFAOYSA-N 288.311 0.249 0 50 CCAA CS(=O)(=O)NC(=O)c1cn(Cc2cccc(F)c2)nn1 1875391008 YXNPOINVJAVSHN-UHFFFAOYSA-N 298.299 0.155 0 50 CCAA CN1[C@H]2CC[C@H]1CC(O)([C@@H](N)C1CCOCC1)C2 958528015 MHEJSKFCVCFTIM-AVGNSLFASA-N 254.374 0.728 0 50 CCAA Cc1cnc(CNC(=O)c2nc(N)nc3c2CCCC3)cn1 952872571 AFCTVSSOJDLXPL-UHFFFAOYSA-N 298.350 0.966 0 50 CCAA Cc1ncc(S(=O)(=O)NC(=O)[C@@H]2CC2(F)F)s1 408491821 ILIWDSMYSOJXQB-YFKPBYRVSA-N 282.293 0.912 0 50 CCAA COCCS(=O)(=O)N1CCCN(c2ccccn2)CC1 186111016 PPCQDMCKKDKKIZ-UHFFFAOYSA-N 299.396 0.570 0 50 CCAA CSC[C@@H](C)C(=O)N1CCN(c2nnc(C)n2C)CC1 585130655 XSQUJRGNKKEHGC-SNVBAGLBSA-N 297.428 0.771 0 50 CCAA CCN1CCN([C@@H]2CCN(C(=O)[C@@H](N)C(C)C)C2)CC1 170070456 GNEHEJZDVCWJKK-KGLIPLIRSA-N 282.432 0.208 0 50 CCAA Cc1nn(Cc2nnnn2CC(F)(F)F)c(=O)s1 278777520 UQHFBNMFQSOXNV-UHFFFAOYSA-N 280.235 0.210 0 50 CCAA Cc1nc2ncnn2c(N[C@@H]2C[C@@H](C(=O)O)C[C@@H]2O)c1C 662895216 CIFPZEDLTOWQNO-BBBLOLIVSA-N 291.311 0.377 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(c1ncc(Cl)cn1)C2 1875248967 BAYVGWYZVCMUPX-ONGXEEELSA-N 268.748 0.897 0 50 CCAA Cc1cc(N2C[C@@H](O)[C@H](F)C2)nc(N2CCCC2)n1 1529182661 YNPBCTBZSXINGU-GHMZBOCLSA-N 266.320 0.904 0 50 CCAA CC(=O)N1CC[C@H](C(=O)N=c2cc[nH]cc2F)C1 408025087 NSKYBDARWHZSBE-VIFPVBQESA-N 251.261 0.450 0 50 CCAA O=C(NC[C@@H]1COCCO1)c1ccc(Cl)cn1 330825591 OOIDAVLQLVZGHA-SECBINFHSA-N 256.689 0.880 0 50 CCAA COc1cccc(OC)c1CC(=O)N1CC[C@@H](N)C1 132517941 DZIHYBMTLPJGTF-SNVBAGLBSA-N 264.325 0.806 0 50 CCAA Cc1nn(C)c(N)c1C(=O)N[C@@H]1COCC1(C)C 1615622013 ZQAZLEJOLVLUAF-MRVPVSSYSA-N 252.318 0.466 0 50 CCAA O=C(COC1CC1)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 1551447069 DIHHRGRRECKOOU-GISOBZBCSA-N 253.298 0.781 0 50 CCAA COC(=O)c1ccc(B(O)OC(C)(C)C(C)(C)O)cn1 169994490 YMGGHSAAQVWJKY-UHFFFAOYSA-N 281.117 0.122 0 50 CCAA COc1ccc(CNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)cc1F 1857730796 XTYHHKMAYDPWKU-MVWJERBFSA-N 282.315 0.549 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc(C)o2)C1 644030372 FIFPFFDJAUXISH-AWEZNQCLSA-N 280.324 0.691 0 50 CCAA Cc1cnn(CCC(=O)N2CCO[C@@H](CC(=O)O)C2)c1 237797482 MWKSZHWCPKNRQA-NSHDSACASA-N 281.312 0.284 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1nc(N(C)C)no1 356406127 NBECAPAYKVQUMC-VHSXEESVSA-N 282.344 0.957 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)CN2CSCC2=O)C12CCC2 152135432 VKSTZTWBRJISHT-GHMZBOCLSA-N 298.408 0.983 0 50 CCAA NC(=O)C1(CNC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)CCOCC1 163211313 HBPJOZLSBIZVNJ-NNYUYHANSA-N 292.379 0.677 0 50 CCAA CCN(CC)S(=O)(=O)NC(=O)C1(SC)CC1 1255650413 ZLMYYRWUNJMGKW-UHFFFAOYSA-N 266.388 0.585 0 50 CCAA O=C([C@@H]1C[C@@H](O)CN1)N1CCO[C@H](c2ccccc2)C1 226934081 AYLINWTZZUBALS-RDBSUJKOSA-N 276.336 0.309 0 50 CCAA CN(C[C@@H]1CCCO1)C(=O)[C@H]1CCc2nn[nH]c2C1 328748942 BKMQEFUHSPCXQQ-UWVGGRQHSA-N 264.329 0.547 0 50 CCAA CCO[C@H]1C[C@@H](NC(=O)N2CCNC(=O)[C@@H]2C(C)C)C1 332469388 RQXYTFAXMBEITR-TUAOUCFPSA-N 283.372 0.720 0 50 CCAA CN1CCN(C)[C@H](CNC2CSCCSC2)C1 584896089 YWAWQECUJUTWHJ-GFCCVEGCSA-N 275.487 0.670 0 50 CCAA CC(C)(C)OC[C@@H](O)CN[C@]1(CC(=O)O)CCCOC1 2325790422 KIMSABYMAXBIOJ-FZMZJTMJSA-N 289.372 0.776 0 50 CCAA CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O 11686540 NTHMDFGHOCNNOE-ZJUUUORDSA-N 293.396 0.696 0 50 CCAA in-vivo Cc1cc(C)n(CC(=O)N2CCC[C@@]23CCCNC3=O)n1 2356149597 KYWXFDPBTDCYLU-OAHLLOKOSA-N 290.367 0.771 0 50 CCAA COc1ccc(OC)c(N(CC(=O)O)S(C)(=O)=O)c1 4995448 IGYHWPQMJXZERI-UHFFFAOYSA-N 289.309 0.554 0 50 CCAA CCOC(=O)CCNC(=O)N1CCC2(CC1)CNC(=O)C2 65535170 ATVBRGSUPHACBV-UHFFFAOYSA-N 297.355 0.251 0 50 CCAA O=C(NC[C@@H](O)CO)C(F)(F)c1ccccc1F 253418583 XWSHMXLIJWRHFD-SSDOTTSWSA-N 263.215 0.387 0 50 CCAA CNCC(=O)N[C@H]1CC(=O)N(c2ccccc2OC)C1 71681376 MDLYLXXBYONUHY-JTQLQIEISA-N 277.324 0.136 0 50 CCAA CN(C[C@@H]1CC12CCN(C(=O)C(=O)O)CC2)C1CC1 363787620 JVCQTZLDQYGUBD-JTQLQIEISA-N 266.341 0.794 0 50 CCAA COc1cccc(SCC(=O)NCC(N)=O)c1 126844733 INXQXNUZYMTUMG-UHFFFAOYSA-N 254.311 0.389 0 50 CCAA CNc1ncc(CN(C)C[C@@]2(O)CCCNC2)cn1 72421538 QQVDKSBHOXXWPX-CYBMUJFWSA-N 265.361 0.065 0 50 CCAA O=C(CN1CCC[C@@H](N2CCCC2)C1)NC[C@H]1CCCO1 239637092 BIUBMAKKWXACDL-HUUCEWRRSA-N 295.427 0.842 0 50 CCAA CN1C[C@@H]2[C@@H](CCCN2C(=O)Cc2ccnn2C)C1=O 285787340 CKJLELIFWHSXOK-VXGBXAGGSA-N 276.340 0.042 0 50 CCAA NC(=O)NC[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 339140106 KPBMETVTMDKVOH-VIFPVBQESA-N 274.328 0.843 0 50 CCAA CN(C[C@@H]1CCOC1)C(=O)CCc1ccn(C)n1 342141922 YZEFDMQKWKKBFO-NSHDSACASA-N 251.330 0.848 0 50 CCAA CC(C)N1CCC[C@H](N2CCS(=O)(=O)CC2)C1=O 177703889 HARRVBXRLPYQMW-NSHDSACASA-N 274.386 0.116 0 50 CCAA COc1ncc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)cn1 426701571 HLZWJDKQBZRVEL-NXEZZACHSA-N 276.296 0.035 0 50 CCAA CCOCCNC(=O)Nc1ccc(OC)c(C(N)=O)c1 426440249 HFTJNWPIXTVSSM-UHFFFAOYSA-N 281.312 0.952 0 50 CCAA CCc1noc(CNC(=O)N2CCN(C)C(=O)[C@H]2C)n1 426606721 HYFXSVGEUNULMS-MRVPVSSYSA-N 281.316 0.004 0 50 CCAA CC1(C)CN(S(=O)(=O)N2CCCC2)C[C@]1(C)O 91664511 GWWTVACVMRHKPK-NSHDSACASA-N 262.375 0.420 0 50 CCAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CNC(C)=O)C2 91965257 DCGQBFGSRXBKIV-LLVKDONJSA-N 292.335 0.499 0 50 CCAA NC(=O)[C@H](O)C1CCN(c2ncc(Cl)cn2)CC1 299746141 VQMWAKHCUHLSNT-SECBINFHSA-N 270.720 0.193 0 50 CCAA c1cc(CN[C@H]2COC[C@H]2n2ccnn2)c2c(c1)OCO2 299741085 CQDIRCXATBNHSG-NWDGAFQWSA-N 288.307 0.737 0 50 CCAA CC(=O)N1CCO[C@@H](CNC(=O)c2c(C)ncnc2C)C1 534636289 NKZAYCMBQHGJCS-LBPRGKRZSA-N 292.339 0.071 0 50 CCAA C[C@H](C(=O)NCCn1ccnn1)N1CCCCCC1 534584133 UVQJPPQTOAWIMV-GFCCVEGCSA-N 265.361 0.659 0 50 CCAA CC(C)N1CC[C@@H](CN2CCN(c3nc[nH]n3)CC2)C1 299799358 RCLNZMMVNQSKEX-ZDUSSCGKSA-N 278.404 0.657 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)C(=O)c1ccco1 299785641 MTPDCSWXRLCJGY-JQWIXIFHSA-N 280.324 0.686 0 50 CCAA CN(CC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O)C1CCCC1 828034877 YCQKPVOMPYHOER-CHWSQXEVSA-N 279.384 0.797 0 50 CCAA O=C(CCC(F)(F)F)N1CCN2C(=O)OC[C@@H]2C1 493313039 WFLNFBKAMDYGEE-ZETCQYMHSA-N 266.219 0.992 0 50 CCAA CC1=NO[C@](C)(C(=O)N(C)CCN2CCOCC2)C1 584901305 KGPBNNFDFUTXFM-ZDUSSCGKSA-N 269.345 0.332 0 50 CCAA O=C(c1n[nH]c(O)n1)N1CC[C@@H](N2CCCCC2)C1 584884823 QGBQRWIQQSCGSB-SECBINFHSA-N 265.317 0.211 0 50 CCAA Cc1cccc([C@H](NC(=O)CNS(C)(=O)=O)C2CC2)n1 584893947 CTNQEZOXHMIOHL-CYBMUJFWSA-N 297.380 0.507 0 50 CCAA CS(=O)(=O)Nc1ccc([C@H]2CNC[C@H](N)C2)cc1 757216232 ZGTPKLKJOABJCW-GHMZBOCLSA-N 269.370 0.462 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1N1C(=O)N[C@H](C2CCC2)C1=O 1875291361 WMXXJVWJESJLMT-JVUFJMBOSA-N 265.313 0.374 0 50 CCAA NC(=O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3ccnc4[nH]ncc34)[C@@H]2C1 1875358848 LRODTSFDVFSRHO-FWSPBBIJSA-N 299.334 0.588 0 50 CCAA O=C1CN(S(=O)(=O)CCCCC2CC2)CCN1 1776006081 LZSIXIQICZXRLJ-UHFFFAOYSA-N 260.359 0.328 0 50 CCAA Cc1cccc(O)c1C(=O)N(C)Cc1nc(O)n[nH]1 1776006901 ZBVNIECSYVDFFN-UHFFFAOYSA-N 262.269 0.797 0 50 CCAA CCN1CCN(C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1=O 408399810 LEAXSAXNHDTELQ-LLVKDONJSA-N 288.413 0.364 0 50 CCAA COc1cc(C(=O)N2CC[C@@](C)(C(=O)O)C2)nn1C 302302010 MKQUBIPKKJPKIR-GFCCVEGCSA-N 267.285 0.366 0 50 CCAA CC(=O)NCCNC(C)(C)C(=O)NCc1cccc(F)c1 170595913 ZZNBJPDVDBHFLN-UHFFFAOYSA-N 295.358 0.946 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCOC2(CCC2)C1 901271772 WKRNOAUDHWXCSJ-UHFFFAOYSA-N 266.341 0.802 0 50 CCAA NC(=O)C[C@]1(O)CCCN(CCOC2CCC2)C1 643808060 OKSVTVLLDGWABU-CYBMUJFWSA-N 256.346 0.258 0 50 CCAA Cc1noc(COC2CN(C(=O)[C@@H](C)n3cccn3)C2)n1 644208562 CUMWYHXKQFGIDU-SECBINFHSA-N 291.311 0.563 0 50 CCAA CC(C)n1cc(Cn2cnc3c(N)ncnc32)nn1 563430641 AAAQYZLZURKTLJ-UHFFFAOYSA-N 258.289 0.629 0 50 CCAA Cc1ccnc(NC(=O)CS(=O)(=O)C(C)(C)C)n1 194675936 YCTYMBYGOQXHHG-UHFFFAOYSA-N 271.342 0.937 0 50 CCAA CCc1nn(C)cc1CNC(=O)N1CC[C@@H](CC(N)=O)C1 585083057 DYGPQJUDNDPGGP-JTQLQIEISA-N 293.371 0.389 0 50 CCAA C[C@H](CN1CCCCC1)C(=O)N(CCO)Cc1ncc[nH]1 1704314852 WZUDDIHAVZLGOJ-CYBMUJFWSA-N 294.399 0.853 0 50 CCAA O=C(Cc1cscn1)N[C@H]1CNCCC1(F)F 1615555411 AUYQUNMMCCJMNU-QMMMGPOBSA-N 261.297 0.799 0 50 CCAA Cc1noc(C)c1CCC(=O)N1CCOC[C@@H](C(=O)O)C1 1772814352 URKSCFOORXPCKS-NSHDSACASA-N 296.323 0.784 0 50 CCAA COc1ccc(COC2=CNC(C(=O)O)=C[C@H]2O)cc1 169748332 JZRUEZHLKZUQCY-GFCCVEGCSA-N 277.276 0.986 0 50 CCAA c1nc(N2CCC[C@H]2c2nc[nH]n2)c2c[nH]nc2n1 1857528151 KJJNQQRIIWHUKM-QMMMGPOBSA-N 256.273 0.813 0 50 CCAA COCCN1CN(C(=O)[C@H]2CCCO[C@@H]2C(C)C)CC1=O 408473318 LNMNOAYOUAJYCF-GXTWGEPZSA-N 298.383 0.712 0 50 CCAA NCCn1cc(C(=O)N[C@H]2CCc3c(F)cccc32)nn1 566508756 YTIBLHRVDRAVDL-LBPRGKRZSA-N 289.314 0.793 0 50 CCAA Cc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@H](C)N[C@H](C)C1 153480637 UFICIDLRDQLJCQ-OCAPTIKFSA-N 290.323 0.647 0 50 CCAA Cc1cc(N2CCN(c3n[nH]c(C)n3)CC2)nc(C)n1 585092714 KCRVYVJIWYANAD-UHFFFAOYSA-N 273.344 0.847 0 50 CCAA CN1CCO[C@@H]2CN(C(=O)c3cc(C(F)F)ncn3)C[C@@H]21 822587738 CMDONBOPGLKKFY-WDEREUQCSA-N 298.293 0.569 0 50 CCAA Cc1cc2nccc(NC(=O)N[C@H]3Cc4cncn4C3)n2n1 932455494 ZEAUOOGLOMRBOT-JTQLQIEISA-N 297.322 0.981 0 50 CCAA O=C(N[C@H]1CCNC[C@@H]1O)c1coc2ccccc12 220176653 MBYYGFVQPVSKRQ-RYUDHWBXSA-N 260.293 0.885 0 50 CCAA CCOC(=O)N1CCN(C2CCN(C)CC2)CC1 220212 XDHQJUWHSNZMBA-UHFFFAOYSA-N 255.362 0.855 0 50 CCAA CC(C)[C@H](CC(=O)O)NC(=O)CCc1cn[nH]c1 426368295 KXDLJJMHKDMMFG-JTQLQIEISA-N 253.302 0.958 0 50 CCAA CC1(C)CN(c2ccnc(N3CCCNCC3)n2)CCN1 2325796421 PBYGOBDDJFIOGQ-UHFFFAOYSA-N 290.415 0.465 0 50 CCAA O=C1C[C@H](N2CCC(O)CC2)C(=O)N1c1ccc(F)cc1 209581 XMWKAKUJKBKUJC-ZDUSSCGKSA-N 292.310 0.914 0 50 CCAA Cc1ccc(N)c(S(=O)(=O)N[C@H](C)C(=O)O)c1 392076 LEACDPAILWJMJJ-SSDOTTSWSA-N 258.299 0.329 0 50 CCAA O=C(NC(=S)NN1CCOCC1)c1cccs1 437847 DVFFBSDBFSPEJD-UHFFFAOYSA-N 271.367 0.600 0 50 CCAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2cnc[nH]2)C1 2356143309 CHNYRFQDJLUGHV-HNNXBMFYSA-N 298.350 0.732 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)[C@H]1CCC[C@H](N)C1 113214079 NXRFUKQHTPBOJA-UWVGGRQHSA-N 253.346 0.241 0 50 CCAA COC(=O)[C@H]1[C@@H]2C(=O)N(CC(C)C)C[C@@]23C=C[C@H]1O3 100846349 OMGBOXKFVDXULF-BIAAXOCRSA-N 265.309 0.597 0 50 CCAA CCCc1cc(C(=O)N[C@H]2CC=CC[C@H]2C(N)=O)[nH]n1 55168574 SRIOVNCIJUJPBC-MNOVXSKESA-N 276.340 0.912 0 50 CCAA CN(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O 22606413 BENAWWUXODIROM-UHFFFAOYSA-N 290.772 0.848 0 50 CCAA Cc1ccc(CN(C)C(=O)Cc2cnc(O)n(C)c2=O)o1 1506417557 AISHXNWHWKTDRC-UHFFFAOYSA-N 291.307 0.588 0 50 CCAA O=C1C[C@H]2CC[C@@H](CN1)N2c1nnnn1-c1ccccc1 65405544 CEENXPWDZRRUSL-NEPJUHHUSA-N 284.323 0.520 0 50 CCAA COCCN1CCCN(C[C@](C)(O)C(F)(F)F)CC1=O 253396757 NYKQWCLPILPBGL-NSHDSACASA-N 298.305 0.480 0 50 CCAA CN(CC(N)=O)c1cnc(C(=O)OC(C)(C)C)cn1 253415463 XACQHYLAQJVNLY-UHFFFAOYSA-N 266.301 0.353 0 50 CCAA Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)ccn1 235834729 WYXPXNWYGJMCPZ-NSHDSACASA-N 264.281 0.706 0 50 CCAA C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@H](C2CC2)O1 330044980 HXIDKFDBXSFQDB-RAIGVLPGSA-N 289.397 0.995 0 50 CCAA CC[C@@H]1CN(C(=O)c2cnn3c2OCCC3)CCO1 367788567 BRFJTBXTRHDGAW-SNVBAGLBSA-N 265.313 0.917 0 50 CCAA O=C(N[C@H]1CC[S@@](=O)C1)c1csc2cncn12 332947526 QVEGHHSGYXJDBE-BWKAKNAASA-N 269.351 0.647 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@@H](CC(C)C)C(=O)O)c[nH]1 185325115 YSVYLAOWRBJIPX-JTQLQIEISA-N 266.297 0.912 0 50 CCAA O=C(c1cccnn1)N1CCC[C@@](O)(CN2CCCC2)C1 77437634 VZUCUOZREFSAAB-OAHLLOKOSA-N 290.367 0.540 0 50 CCAA Cc1nc2c(c(NCCCc3nnn[nH]3)n1)CCNCC2 72477523 IWQXNHUWBUVDJR-UHFFFAOYSA-N 288.359 0.031 0 50 CCAA O=C(NCc1nncn1C1CCCCC1)[C@@H]1CNCCO1 72121864 YFEDDNWKMORMAA-LBPRGKRZSA-N 293.371 0.388 0 50 CCAA C[C@@H]1COCC[C@@H]1CNc1ccc(C(N)=O)nn1 286273376 GKBVAVSHXBTWTH-RKDXNWHRSA-N 250.302 0.660 0 50 CCAA COC[C@@H]1CCN(C(=O)COc2cccnc2)C1 223584046 CZOJUOWGAQAPGN-LLVKDONJSA-N 250.298 0.955 0 50 CCAA CCC(=O)Nc1cccc(C(=O)NCCS(C)(=O)=O)c1 48937763 ZAOWMERCJBZZPX-UHFFFAOYSA-N 298.364 0.810 0 50 CCAA CCc1nnc(CN2CCN(c3cnn(C)c3)C(=O)C2)o1 177451136 CKJGWVPLMOTVJO-UHFFFAOYSA-N 290.327 0.214 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O 47644385 AOLZYQPHJOUNEX-JTQLQIEISA-N 294.311 0.238 0 50 CCAA COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C 84403372 NGHIOTWSWSQQNT-UHFFFAOYSA-N 269.278 0.720 0 50 CCAA in-vitro CNC(=O)c1noc(CNC(=O)CCc2cccn2C)n1 426358693 YUWPQXOTSQOGCU-UHFFFAOYSA-N 291.311 0.017 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@@H]1[C@@H]3[C@H]4[C@@H]2[C@@H]2[C@@H]4[C@]3(c3ccccc3)[C@@H]21 248025159 JHJJFIMWKFHTAP-SILBCXLZSA-N 293.326 0.518 0 50 CCAA O=c1[nH]ccn1CCN1CCOc2ccc(CO)cc2C1 244678687 IIIXTJGMUAHJLS-UHFFFAOYSA-N 289.335 0.563 0 50 CCAA CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@H]1CNCCO1 534636928 YJPGMFBMYXTCND-CYBMUJFWSA-N 278.356 0.235 0 50 CCAA Cc1nn(CC(=O)NCCc2nnn[nH]2)c(C)c1Cl 299763554 WTQSTERTUZVZPR-UHFFFAOYSA-N 283.723 0.025 0 50 CCAA Nc1ccc(O)cc1C(=O)NCCCN1CCC[C@H](O)C1 828627344 CWNCFWURNDHEPG-LBPRGKRZSA-N 293.367 0.551 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCC[C@@H](N(C)C)C2)cn1C 584898280 PNWMUECRIIYIGP-GFCCVEGCSA-N 277.368 0.860 0 50 CCAA COc1ccc(C(=O)N2CC[C@](OC)(C(=O)O)C2)c(O)c1 630255969 NZDHUMJUNUYPQO-CQSZACIVSA-N 295.291 0.717 0 50 CCAA Cc1ccc(CCNS(=O)(=O)c2nnn(C)n2)c(C)c1 1875289811 QRFXLKFDBNHDQV-UHFFFAOYSA-N 295.368 0.348 0 50 CCAA CN[C@@H](C)CNC(=O)NCCn1ncc2ccccc21 1875274073 FPASCOYRMXPHDV-NSHDSACASA-N 275.356 0.943 0 50 CCAA Cc1n[nH]cc1S(=O)(=O)NC(=O)C1CCCC1 1875284167 NTDHIWGVZGIKEG-UHFFFAOYSA-N 257.315 0.713 0 50 CCAA Cc1cccnc1C[C@H]1NC(=O)C[C@@H]2C[C@@H](F)CN2C1=O 1875311012 JMSLROOHNRRYLT-NTZNESFSSA-N 291.326 0.760 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@H]1CC[C@H](Cn2ccnc2)O1 1875317823 JVQKEOPASSJRJT-FQVTYBBZSA-N 293.323 0.276 0 50 CCAA CN1C[C@H](NC(=O)/C=C/CN2CCCC2)CCC1=O 1875338074 NDNGDPWJWARRGH-ZYOFXKKJSA-N 265.357 0.375 0 50 CCAA CCCS(=O)(=O)c1nnnn1-c1ccc(OC)cc1 1875381893 KISCIMSBRQEHMM-UHFFFAOYSA-N 282.325 0.855 0 50 CCAA CCOCCC(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076053623 DEQQUTZEWHYCLX-NEPJUHHUSA-N 280.328 0.377 0 50 CCAA Cn1cccc1CNC(=O)[C@@H]1CC[C@@H](C(=O)O)N1C1CC1 888102044 VLOLTEBHMGVUGF-STQMWFEESA-N 291.351 0.721 0 50 CCAA C[C@@H](NC(=O)c1cnsn1)c1nn(C)cc1O 1179919795 CDGBAJPGOMISJJ-RXMQYKEDSA-N 253.287 0.468 0 50 CCAA C[C@H]1CO[C@H](C)CN1S(=O)(=O)N1CCCC[C@H]1CN 247165778 QSKUOZOORMNDGQ-TUAOUCFPSA-N 291.417 0.154 0 50 CCAA CC1(C)C[C@@H](O)CCN(C(=O)C2CN([C@@H]3CCOC3)C2)C1 585131775 FZPZPDKEEBNESV-KGLIPLIRSA-N 296.411 0.717 0 50 CCAA N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)COc1ccccc1Cl 703975546 ILBMNYIMMVTHKI-ISTUKMMPSA-N 296.754 0.950 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cn[nH]c1 188989674 NOOXQZJJAQWYEI-JTQLQIEISA-N 250.302 0.396 0 50 CCAA O=c1cccnn1Cc1cnn(-c2ccccc2)n1 195419989 LVQJPJLYTXWVRO-UHFFFAOYSA-N 253.265 0.872 0 50 CCAA C[C@@H](CNC(=O)N[C@H]1C[C@H](C)n2ncnc21)N(C)C 661274173 FOHLHTXGZRGHPF-GUBZILKMSA-N 266.349 0.533 0 50 CCAA CN(CCn1ccnc1)C[C@@H]1CCCN(CCO)C1 1529152486 UAKBPESBXNHKMU-AWEZNQCLSA-N 266.389 0.519 0 50 CCAA CN(C)C[C@@]1(CO)CCCN(Cc2nc(C(=O)O)co2)C1 1529099133 RDRAKMBHLSMNIL-AWEZNQCLSA-N 297.355 0.509 0 50 CCAA CN(CCc1cnn(C)c1)c1ncc2cn[nH]c2n1 1857673886 MYWAZYAXHIMDLI-UHFFFAOYSA-N 257.301 0.765 0 50 CCAA CC(=O)N[C@H]1CN(C(=O)CO)C[C@@H]1c1ccc(C)cc1 222070157 DNIDSLUVRSHZRT-KGLIPLIRSA-N 276.336 0.418 0 50 CCAA O=C(NCCCn1ccnn1)[C@@H]1CCC[C@H](O)C1 439729025 QDLHKHLALJRDSB-MNOVXSKESA-N 252.318 0.336 0 50 CCAA CC(C)/C=C/CN1CC[C@H](N2CCN(C)CC2)[C@@H](O)C1 1614348662 TYHFROUAXWIPBL-SWJNODNISA-N 281.444 0.881 0 50 CCAA Cc1n[nH]c(SCC(=O)NCc2ccccc2)nc1=O 18208857 GUXQKUYFGPGNRT-UHFFFAOYSA-N 290.348 0.882 0 50 CCAA O=C(c1cn[nH]c1)N1CCCN(C(=O)c2ccoc2)CC1 19853975 ARRWLGBGAJZSMC-UHFFFAOYSA-N 288.307 0.991 0 50 CCAA C[C@@](NC(=O)C[C@@H]1CCCN1)(C(N)=O)c1ccccc1 154092498 FOUQGNOPKSPKBC-WFASDCNBSA-N 275.352 0.645 0 50 CCAA CC(=O)N1CC[C@@H](C(=O)N=c2cc[nH]cc2F)C1 408025086 NSKYBDARWHZSBE-SECBINFHSA-N 251.261 0.450 0 50 CCAA CCc1cnc(O)c(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)c1 614457281 YRWXAYHGDIXAIP-KCJUWKMLSA-N 277.324 0.747 0 50 CCAA Cc1ncc(C(=O)NC[C@@H]2CCO[C@H]2c2nccn2C)[nH]1 619317132 ZHMUXJRAWYAQQT-CMPLNLGQSA-N 289.339 0.959 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1 21982825 FYKXWBBQYZXPFB-LBPRGKRZSA-N 278.308 0.770 0 50 CCAA in-vitro CN(C)[C@H]1C[C@H](NS(=O)(=O)c2ccnn2C)C1(C)C 585139407 WDTLOODFAKFBRK-UWVGGRQHSA-N 286.401 0.427 0 50 CCAA CCn1nc(C)c(S(=O)(=O)N(C)[C@@H]2CCOC2)c1C 266220424 WPGFUKATPKWVIV-LLVKDONJSA-N 287.385 0.929 0 50 CCAA c1cc(N2CCOCC2)ncc1CN1CCOCC1 1139428378 COEWQVCGBMDFOD-UHFFFAOYSA-N 263.341 0.750 0 50 CCAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1nncs1 225707563 ZHVIVBKDPMXKCM-JWXFUTCRSA-N 269.282 0.355 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)CC1CCOCC1 257663077 FHCCPIIMUPXXDF-LLVKDONJSA-N 271.313 0.505 0 50 CCAA Cc1nnc(CN(C)C[C@@H](C)N2CCOCC2)s1 299774724 FXBVUAKFZDSMDP-SNVBAGLBSA-N 270.402 0.999 0 50 CCAA COCc1noc(CN[C@H](C)Cn2ccnc2)n1 534659662 ORQPPOQQONWLLJ-SECBINFHSA-N 251.290 0.591 0 50 CCAA CCN1CCC[C@@H]1CNC(=O)CCc1nc(O)n[nH]1 2100483155 VPVDVJYXUFQRSP-SECBINFHSA-N 267.333 0.043 0 50 CCAA CN(CCCCC(=O)O)C(=O)[C@H]1COC(=O)N1C 2325789885 UGDKKZHLKHJTDU-MRVPVSSYSA-N 258.274 0.150 0 50 CCAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccc3c(c2)C(=O)NC3)C1 2325887723 HMVPQYZYUMZRAY-OAHLLOKOSA-N 288.303 0.867 0 50 CCAA O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1700285 XYXYXSKSTZAEJW-VIFPVBQESA-N 267.237 0.841 0 50 CCAA in-vitro O=C(O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O 2527477 IIRYNZYKXMSCSC-QWRGUYRKSA-N 265.265 0.701 0 50 CCAA Cc1nnc(C(=O)N2CCC3(CC2)CN(C)CCO3)o1 2356149494 DFGRVMKZCNUVFL-UHFFFAOYSA-N 280.328 0.315 0 50 CCAA O=S(=O)(c1cccc(CO)c1)N1CCOCC1 3336037 PTHYGSUCUYDAKW-UHFFFAOYSA-N 257.311 0.200 0 50 CCAA Cc1cc(C(=O)N2CCC[C@]23CCCNC3=O)nc(C)n1 2356165515 CFDKPTSVGNCMRI-HNNXBMFYSA-N 288.351 0.978 0 50 CCAA CCOC(=O)[C@H]1C(=O)COCCN1C(=O)OC(C)(C)C 100131133 CRMCVFCPWKMQAH-SNVBAGLBSA-N 287.312 0.755 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1c[nH]nc1C 344841468 FDIRLQZHQKULKK-VHSXEESVSA-N 253.302 0.594 0 50 CCAA Cc1ccc(NN[C@H]2CC(=O)N(N(C)C)C2=O)cc1 100328243 DNYDRXZHNAOSLL-NSHDSACASA-N 262.313 0.516 0 50 CCAA CCN(CC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)C1CC1 347195069 LEUOBQWKLQHJKI-KFWWJZLASA-N 296.411 0.859 0 50 CCAA Cn1ccnc(N2CCC[C@H](NCc3ncc[nH]3)C2)c1=O 331658984 VVFNLMUVOKCLKX-NSHDSACASA-N 288.355 0.262 0 50 CCAA Cc1cn(CCNC(=O)c2cc(C)nc(C)n2)nn1 65528223 JXQRRXJNUQHEHF-UHFFFAOYSA-N 260.301 0.423 0 50 CCAA O=C1CC[C@@H](NC(=O)[C@H]2CCc3cccnc32)C(=O)N1 332813774 ZWCMOFGBHZHJPY-VHSXEESVSA-N 273.292 0.033 0 50 CCAA CC(C)(C)CC(=O)NCC(=O)N[C@H](C(=O)O)C1CC1 262176770 RJEZEAQNANKOBD-NSHDSACASA-N 270.329 0.518 0 50 CCAA O=C(CNC[C@@H]1CCCO1)N1CCO[C@H]([C@@H]2CCCO2)C1 237891474 SFYMLVXOGMIDBB-IHRRRGAJSA-N 298.383 0.161 0 50 CCAA O=C(O)[C@H]1CCCCN1S(=O)(=O)c1cnc2n1CCC2 262352471 BJUGWYYOCZBLLS-SECBINFHSA-N 299.352 0.457 0 50 CCAA Cn1nccc1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 283701657 SHCKBTJBMZFOOL-WCQYABFASA-N 293.367 0.718 0 50 CCAA COC(=O)CC1(CNS(=O)(=O)C2CC2)CCOCC1 241634557 PNKMOTLGJPVFDM-UHFFFAOYSA-N 291.369 0.428 0 50 CCAA O=C(NC[C@H]1CN(C2CC2)CCO1)c1ncncc1Cl 176539226 LKENIKYZVUEUIU-JTQLQIEISA-N 296.758 0.723 0 50 CCAA CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ncc[nH]1 381045874 XDAFXJNHYXZTGD-SNVBAGLBSA-N 272.374 0.515 0 50 CCAA O=C(NC(CO)CO)c1cnc(Nc2ccccc2)nc1 97447076 FZFOROLKFIINSW-UHFFFAOYSA-N 288.307 0.303 0 50 CCAA CC(=O)N1CCN(c2ccncc2F)C[C@@H](O)C1 91680184 AZUDUCQVVYQGTM-JTQLQIEISA-N 253.277 0.250 0 50 CCAA NC(=O)c1ncn([C@H]2CCCN(C[C@H]3CCCCO3)C2)n1 299738749 FYSYDIJIXGUPSN-NWDGAFQWSA-N 293.371 0.583 0 50 CCAA CN1CCN(CC(=O)NCCCOC2CCCC2)C1=O 534639538 WJPYOYHNHOKMQU-UHFFFAOYSA-N 283.372 0.819 0 50 CCAA CCCO[C@@H]1CCCN(C(=O)NCc2nc(N)n[nH]2)C1 534654435 ULEKGQHDCIRGEN-SECBINFHSA-N 282.348 0.488 0 50 CCAA Cc1sc2nc(CNC(=O)[C@@H]3C[C@@H](O)CN3)cn2c1C 299766319 ILMMDCUNLOYVGA-MNOVXSKESA-N 294.380 0.352 0 50 CCAA CCCN1CCC(N2C[C@H](N)C[C@H]2C(=O)NC(C)C)CC1 299785965 MXKGUCLCRIZLMG-HIFRSBDPSA-N 296.459 0.787 0 50 CCAA O=C(NCCN1CCC[C@@H](CO)C1)c1c(O)cccc1O 584887576 GHNHONGJIYWIAR-LLVKDONJSA-N 294.351 0.532 0 50 CCAA CCCCCOCC(=O)N1CCN(CC(=O)N(C)C)CC1 585146005 SJKLSUOBQIPCMI-UHFFFAOYSA-N 299.415 0.426 0 50 CCAA COC12CC(CN(C(=O)N=c3cc4n([nH]3)CCC4)C1)C2 1875296692 JKYCGLYDDSGUSN-UHFFFAOYSA-N 276.340 0.894 0 50 CCAA CN1CCN(C(=O)c2csc([C@@H]3CCCNC3)n2)CC1 1875277330 XXJDUHZJVWROEA-LLVKDONJSA-N 294.424 0.998 0 50 CCAA CCn1nc(C)c(CN(C)C(=O)C2=NNC(=O)C2)c1C 1875269594 MJPVZJCDCOCKEE-UHFFFAOYSA-N 277.328 0.354 0 50 CCAA Cc1c(C(=O)NS(C)(=O)=O)cnn1Cc1ccccc1 1875390269 DNSULXATYQWHAN-UHFFFAOYSA-N 293.348 0.929 0 50 CCAA O=C(CCn1nnc2ccccc21)N[C@H]1COCC[C@@H]1O 1179996588 MGIPXQWNYXHXRB-AAEUAGOBSA-N 290.323 0.087 0 50 CCAA COCc1nc(O)cc(N2CC[C@@](F)(CO)C2)n1 893728495 SPCPPQPEJNNNDJ-NSHDSACASA-N 257.265 0.239 0 50 CCAA CN(C)c1cncc(NC(=O)[C@H]2CC[C@@H](C(=O)O)N2)c1 1775959863 CUSNWMVXKNLTOI-MNOVXSKESA-N 278.312 0.291 0 50 CCAA Cc1nc(=NC(=O)C[C@H]2NC(=O)c3ccccc32)n(C)[nH]1 897382383 GNZRINUHQIDZCS-LLVKDONJSA-N 285.307 0.359 0 50 CCAA CNCCN1C(=O)CC[C@@H]2CN(Cc3ncc[nH]3)CC[C@@H]21 1565511970 PQMKTYOLAINVHD-OLZOCXBDSA-N 291.399 0.442 0 50 CCAA CNC(=O)[C@@H]1CCCN1C(=O)C[C@@](C)(O)C1CC1 407997113 MRWNCRWVMYYUOA-GXFFZTMASA-N 254.330 0.275 0 50 CCAA Cc1nnc(CN2CCN(CCO)[C@H](C)C2)s1 408368710 MKCTZABPYFGYDN-SECBINFHSA-N 256.375 0.345 0 50 CCAA Cc1nccc(C(=O)NCc2nncn2C2CC2)n1 110729609 IJDOFZVIJZPUBU-UHFFFAOYSA-N 258.285 0.641 0 50 CCAA CCc1cncc(C(=O)N2CCNC(=O)[C@H]2CC)c1 279247472 OVZWIFUTLRNMIU-GFCCVEGCSA-N 261.325 0.995 0 50 CCAA Cc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)c(C)n1 187050719 VWIYWONHHDGVMC-ZDUSSCGKSA-N 283.397 0.822 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CCC[C@@](O)(CC(N)=O)C1 643995297 DIKVGFZFOPLXDP-CYBMUJFWSA-N 299.758 0.521 0 50 CCAA CS(=O)(=O)CC1CCN(c2ncccn2)CC1 644149785 JPNLDKBPNDXQSN-UHFFFAOYSA-N 255.343 0.738 0 50 CCAA CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCO1 195439800 HMDBLSMEGXPOPH-SNVBAGLBSA-N 263.297 0.432 0 50 CCAA Cn1c(O)nnc1CCN[C@@H]1CCN(c2ccccc2)C1 1506410380 TVCNDEOJQXODKJ-GFCCVEGCSA-N 287.367 0.932 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)[C@@H](C)C(C)(C)O 908585703 DREIAJDMVPRXGU-JTQLQIEISA-N 256.346 0.639 0 50 CCAA O=C(C1CCOCC1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704351299 GSJHIGJHUDGAGM-TZMCWYRMSA-N 291.351 0.265 0 50 CCAA O[C@@H]1CN(c2nccs2)C[C@H]1Cc1cnccn1 1704298076 DXFJXAWQFBXPFL-MWLCHTKSSA-N 262.338 0.973 0 50 CCAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cn[nH]c1 739722579 WAXUDJXECYGICN-SNVBAGLBSA-N 267.285 0.506 0 50 CCAA CN1CCN(c2ncc(Br)cn2)CC1 1495469 PRYPBGVWKANVLV-UHFFFAOYSA-N 257.135 0.991 0 50 CCAA in-vitro Cc1cc(NC(=O)CN2CC(F)(F)C[C@@H]2CO)n(C)n1 364593407 WRLYRJXONGRZAB-SECBINFHSA-N 288.298 0.369 0 50 CCAA C[C@@H]1CCCN(C(=O)CC2CCNCC2)[C@H]1CN 156797019 SYUUABLQJRCFLI-YPMHNXCESA-N 253.390 0.962 0 50 CCAA O=C(Cc1cccs1)NC[C@@]1(O)CCCNC1 216143493 MEGYZKWTCTUYRY-GFCCVEGCSA-N 254.355 0.521 0 50 CCAA Cc1nnc(N2C[C@H]3CCN(C)C(=O)[C@H]3C2)s1 1772809618 YYDKBCHLWKEKRP-BDAKNGLRSA-N 252.343 0.761 0 50 CCAA COc1cccc(CN2CCN(CCO)CC2)c1 19606765 FTFQBWWXSDEJML-UHFFFAOYSA-N 250.342 0.805 0 50 CCAA CCNC(=O)CN1CCC[C@H]1c1ccc(N(C)C)nn1 643728436 BXKFAJYFAAMSDT-LBPRGKRZSA-N 277.372 0.816 0 50 CCAA Cn1cc(-c2n[nH]cc2C(=O)N2[C@H]3COC[C@H]2C3)cn1 583140429 MBSVQLKQQDYQNJ-NXEZZACHSA-N 273.296 0.424 0 50 CCAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc[nH]c2)cn1 818601773 PYMORLVMFSLFQS-QWHCGFSZSA-N 290.323 0.807 0 50 CCAA O=C(NOC[C@H]1CCOC1)[C@H]1CCCn2nccc21 818866339 MHCGFYSWNBMYMF-QWRGUYRKSA-N 265.313 0.845 0 50 CCAA Nc1ccccc1C(=O)NCCN1C(=O)CCC1=O 238027542 XZZNJPXKBNWEDO-UHFFFAOYSA-N 261.281 0.148 0 50 CCAA CCc1nccn1CCN1C(=O)NC(C)(C)C1=O 158781831 UQTAORZYGWMYBV-UHFFFAOYSA-N 250.302 0.776 0 50 CCAA Cn1cc(C(=O)N2CCC[C@@]2(C)C(=O)O)ccc1=O 426359618 LGGXXVUJBSQZOB-ZDUSSCGKSA-N 264.281 0.465 0 50 CCAA O=C(CNC(=O)c1ccc(F)cc1)NC1=NCCS1 187651 BOYQCFHBZRVNSL-UHFFFAOYSA-N 281.312 0.775 0 50 CCAA NC(=O)c1cc(S(=O)(=O)NCc2cccnc2)cs1 6678646 DAAMHLLKKBDILE-UHFFFAOYSA-N 297.361 0.721 0 50 CCAA Cn1nccc1C(=O)N1CCC[C@H](CN2CCOCC2)C1 112197877 AKZWZUGVEXTBIT-CYBMUJFWSA-N 292.383 0.605 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1Cc1ccccn1 67833655 XKNZMXRVWFQJRH-JSGCOSHPSA-N 276.384 0.852 0 50 CCAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc2c(c1)OCO2 67855239 ICHLJPIOGVKSAD-SECBINFHSA-N 281.289 0.456 0 50 CCAA CCc1ccc(N([C@@H](C)C(N)=O)S(C)(=O)=O)cc1 67338636 SEKORXPZJVHHSZ-VIFPVBQESA-N 270.354 0.889 0 50 CCAA Cc1cccc(C)c1OC1CN(C(CO)CO)C1 65461331 CKAWARPOHRHKQI-UHFFFAOYSA-N 251.326 0.720 0 50 CCAA CCCCCOCC(=O)N1CCC[C@@H]1CS(N)(=O)=O 358040359 IMGTUYSTQMXDCM-LLVKDONJSA-N 292.401 0.473 0 50 CCAA CCCC1(C(=O)O)CCN(CCS(C)(=O)=O)CC1 62846985 QULUMAKFLAYTDN-UHFFFAOYSA-N 277.386 0.998 0 50 CCAA CCCN1C[C@@H](C(=O)Nc2nncs2)CC1=O 33359504 DHKMSSVWRIKXIH-ZETCQYMHSA-N 254.315 0.735 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2cnc(C)s2)C[C@H]1O 72478931 CQKPASOREMPEBQ-ZYHUDNBSSA-N 270.354 0.799 0 50 CCAA CN1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 72419995 XJZAJWZQKOFEFM-LBPRGKRZSA-N 279.388 0.457 0 50 CCAA CCC1CN(C(=O)CCn2nc3ccccn3c2=O)C1 457305337 PBZZXUCMICEUMT-UHFFFAOYSA-N 274.324 0.755 0 50 CCAA COc1ccc(CNC(=O)c2n[nH]cc2NC(N)=O)cc1 71257091 XJFLNUSQNCWZOL-UHFFFAOYSA-N 289.295 0.839 0 50 CCAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NC1CC1 222024244 CYIFCKYWNRMSCG-JBLDHEPKSA-N 283.397 0.991 0 50 CCAA COc1ccc(-c2cc3n(n2)[C@@H](O)CNC3=O)cc1 85397324 SAGGPXOYKDVMQL-LBPRGKRZSA-N 259.265 0.793 0 50 CCAA Cn1cccc1CCC(=O)N1CCN(c2nc[nH]n2)CC1 426646966 DRPWISHADHSLCT-UHFFFAOYSA-N 288.355 0.425 0 50 CCAA CCC[C@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1N 91586708 POQRRLUCPFGMOM-RYUDHWBXSA-N 250.346 0.777 0 50 CCAA COCc1nc(CNC(=O)c2cc(C)c(C)[nH]c2=O)no1 91619944 UYMMUTBDRCDZPQ-UHFFFAOYSA-N 292.295 0.451 0 50 CCAA NCCc1cccc(CN2CCNC[C@@H](C(=O)O)C2)c1 97638041 WYKVLXCDUBOUIK-CQSZACIVSA-N 277.368 0.294 0 50 CCAA COC(=O)[C@@H]1CCCCN1C(=O)c1cccc2ncnn12 346491970 RVKGTPQSUNEQDC-NSHDSACASA-N 288.307 0.897 0 50 CCAA CC[C@H](C)[C@@H](C(=O)N1CCN(C)CC1)n1cnnn1 604418602 FUGIAPKOGFNFMQ-QWRGUYRKSA-N 266.349 0.034 0 50 CCAA CCC1=NO[C@@H](CN2CCN(c3nc[nH]n3)CC2)C1 252497065 PYDPUOSVCPJUBV-LLVKDONJSA-N 264.333 0.482 0 50 CCAA O=C(NCCc1cn[nH]c1)c1cnc2ccccn2c1=O 356974272 HRMSSWOAPYWAHE-UHFFFAOYSA-N 283.291 0.390 0 50 CCAA CCN1CCC(CNC(=O)CSC)(N(C)C)CC1 534672426 RUSLFQDFXHSKSR-UHFFFAOYSA-N 273.446 0.882 0 50 CCAA COCC(=O)NCCc1nc(Cc2ccccc2)no1 299775965 LWDHJHCXAYFDIP-UHFFFAOYSA-N 275.308 0.966 0 50 CCAA Cc1cccc(-n2ncnc2C2(O)CCN(C)CC2)n1 823761233 ZGKNLXCLCCMRCW-UHFFFAOYSA-N 273.340 0.884 0 50 CCAA Cn1cc2ncn(Cc3cn4ccccc4n3)c(=O)c2n1 825636154 HEKMFLXUBZOKNJ-UHFFFAOYSA-N 280.291 0.826 0 50 CCAA CC(C)CN1CCCN(C(=O)c2cnc(O)[nH]2)CC1 584887336 JNNLZVHUMZRZPK-UHFFFAOYSA-N 266.345 0.919 0 50 CCAA COc1cccc2c(=O)n(C[C@@H](O)CN(C)C)cnc12 584885385 QOOCLNYWHZPZQR-JTQLQIEISA-N 277.324 0.328 0 50 CCAA O=C([C@@H]1NCCc2nc[nH]c21)N1CCC2(CCCO2)CC1 584903854 CYESVMYREYQGHO-CYBMUJFWSA-N 290.367 0.768 0 50 CCAA Cc1nc(CCN(C)C(=O)C[C@H]2CCOC2)no1 584889425 UIDJSVBBBNFTES-SNVBAGLBSA-N 253.302 0.806 0 50 CCAA CC[C@H](NC(=O)c1cnn2c1NC[C@@H](C)C2)C(=O)NC 1548717005 ZBHAWONYHZEGSD-SCZZXKLOSA-N 279.344 0.199 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@H](C)NC(=O)c1ccco1 1875312082 SDJZJHPDBAPDLD-SWTNXBIASA-N 280.280 0.243 0 50 CCAA NC/C=C/C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O 1875337961 KQDYIOYBXFFNHP-FAFAAHBOSA-N 279.384 0.941 0 50 CCAA O=C(NCc1nc(-c2ccco2)n[nH]1)[C@@H]1[C@H]2COC[C@H]21 1875267738 XPKFVSFOUFQWIY-VROVMSAKSA-N 274.280 0.573 0 50 CCAA Cc1nc([C@@H](N)C2(O)CN(C(=O)OC(C)(C)C)C2)cn1C 958527816 FGSNAEXXGAHDIP-LLVKDONJSA-N 296.371 0.710 0 50 CCAA CCN(CCN1CCOCC1)C(=O)Cc1cc(C)no1 952872498 OMWVHZLLKLXQAF-UHFFFAOYSA-N 281.356 0.706 0 50 CCAA NC(=O)C1(C(=O)N[C@H]2CCOC[C@@H]2OCC2CCC2)CC1 1565528731 XEVWXHDVTJNCNE-RYUDHWBXSA-N 296.367 0.342 0 50 CCAA Cn1ccc2c(C(=O)N[C@H]3C[C@H](O)[C@H](O)C3)cccc21 1362944471 BSPYARVDOKUTDQ-CFWWUVRLSA-N 274.320 0.792 0 50 CCAA c1cn2[nH]c(=N[C@H]3CCN(Cc4cc[nH]n4)C3)ccc2n1 548022416 NQRSBCHGFNJBHC-NSHDSACASA-N 283.339 0.561 0 50 CCAA C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H]1CCOC(C)(C)C1 408521771 WFKXHYOVKOUNNM-YIZRAAEISA-N 256.302 0.557 0 50 CCAA COC(=O)[C@@H]1CCc2nnc(Cn3nc(C)cc3C)n2C1 601045240 UNLZCZAZZBNHNO-LLVKDONJSA-N 289.339 0.875 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)[C@@H]1CCCO1 643848028 VBSUKGDAFSLRSH-CABZTGNLSA-N 257.286 0.258 0 50 CCAA O[C@@H]1CCN([C@H]2CCC[C@H]2NCCn2ccnc2)C1 643960906 IQERGVSLCOXNDR-MCIONIFRSA-N 264.373 0.460 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cncnc1 644070138 CVLWQFGXGYLJKM-XQQFMLRXSA-N 276.340 0.194 0 50 CCAA Cc1cc(NC(=O)Cn2cnc(C)c(C)c2=O)on1 194645419 RYZOUJOWYLEYJF-UHFFFAOYSA-N 262.269 0.795 0 50 CCAA C1CC(c2nnc(CN3CCOCC3)o2)CCO1 1255638554 VUFBGEBNPGEIGR-UHFFFAOYSA-N 253.302 0.796 0 50 CCAA Cn1ccnc1NC(=O)COc1ccc(-n2cnnn2)cc1 1529180690 IQDDWAAFNHMZSO-UHFFFAOYSA-N 299.294 0.413 0 50 CCAA CN(C)CCc1nnc(NC(=O)[C@@H]2CCCO2)s1 1529162264 YKDLNAUDGUEAEV-QMMMGPOBSA-N 270.358 0.760 0 50 CCAA CC(=O)N1CCN(CCNC(=O)[C@H]2[C@H](C)C2(F)F)CC1 408231683 OJQJEEYQWWKVFX-GXSJLCMTSA-N 289.326 0.168 0 50 CCAA Cc1nnnn1CC(=O)N(C)Cc1cccs1 123401351 QKQWMAANQVFONK-UHFFFAOYSA-N 251.315 0.702 0 50 CCAA CC(C)NC(=O)NCCN1CCc2n[nH]cc2C1 585089094 VWQXUYKMWMNYFM-UHFFFAOYSA-N 251.334 0.475 0 50 CCAA CN1C[C@H](CN2CCOC3(CCNCC3)C2)CCC1=O 1775983058 HDRYZKPWIJQBNI-CYBMUJFWSA-N 281.400 0.309 0 50 CCAA Cc1nonc1OCCNC(=O)c1onc2ncccc12 1775982288 JETJGIKRWUOXLI-UHFFFAOYSA-N 289.251 0.723 0 50 CCAA CN1C(=O)NCC12CN(c1ncnc3sccc13)C2 1857693819 OAWKWOIXDCISJQ-UHFFFAOYSA-N 275.337 0.905 0 50 CCAA CC[C@]12COC(=O)N1CCN(C(=O)c1ccc(=N)[nH]c1)C2 1857675054 IZTUFTJHZNVGQA-AWEZNQCLSA-N 290.323 0.551 0 50 CCAA C[C@@H](OCC1CC1)C(=O)Nc1ccn([C@H]2CCNC2)n1 328624013 JPCMLIVPEDLTDN-PWSUYJOCSA-N 278.356 1.171 0 50 CCAA O=C(O)[C@H]1CNCCN1C(=O)OCc1ccccc1 16697365 KEIDRYXLYCWVSP-LLVKDONJSA-N 264.281 0.682 0 50 CCAA in-vitro CO[C@@H]1CN[C@@H](C(=O)NCc2ccc(Cl)cn2)C1 189323770 RPTMGGZMXFJYBM-WDEREUQCSA-N 269.732 0.728 0 50 CCAA COCCc1noc(CN2C[C@@H](C)[C@H](CO)C2)n1 190869688 LLAREYRSNZZOCG-ZJUUUORDSA-N 255.318 0.319 0 50 CCAA CC(C)OCC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 670470294 XUJVXQAQSUWZOX-GFCCVEGCSA-N 268.357 0.929 0 50 CCAA Cn1nnnc1CN1CCC[C@@H](N2CCCC2)CC1 371690599 HARXTWNLGLJERO-GFCCVEGCSA-N 264.377 0.660 0 50 CCAA O=C(O)c1cc(S(=O)(=O)N2CC[C@@H](F)C2)ccc1O 689911331 CJTQPHXOCFPPIF-SSDOTTSWSA-N 289.284 0.823 0 50 CCAA CCOc1cccc(CC(=O)N2CC[C@](O)(C(N)=O)C2)c1 2325720874 GZXNTWLGDYYJHT-OAHLLOKOSA-N 292.335 0.077 0 50 CCAA COc1ccccc1OCC(=O)N[C@@H](C)C(=O)O 190740 FPENGYPIIVADIX-QMMMGPOBSA-N 253.254 0.663 0 50 CCAA COC[C@@]12COC[C@@H]1CN(Cc1cc(O)nc(C)n1)C2 2356132754 HPIZLHNIQQXYTK-FZMZJTMJSA-N 279.340 0.585 0 50 CCAA COC(=O)[C@H]1CC12CCN(c1cc(O)nc(=N)[nH]1)CC2 2356145171 DTCDJTUYMDZQST-MRVPVSSYSA-N 278.312 0.374 0 50 CCAA CCOC(=O)C(=O)N1CCN(c2ccccc2OC)CC1 2767597 LJAHKZMJJGVKLR-UHFFFAOYSA-N 292.335 0.907 0 50 CCAA COc1ccc(CNS(=O)(=O)c2cnc[nH]2)cc1 4929582 FRTKLFOZGDPRHE-UHFFFAOYSA-N 267.310 0.897 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)Nc1cccnc1 6706447 HWXSSCJGMKQNIR-UHFFFAOYSA-N 252.299 0.924 0 50 CCAA O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CCS(=O)(=O)CC2)C1 111472406 JPVYPOHTNDYSCD-NXEZZACHSA-N 289.353 0.134 0 50 CCAA Nc1nc(CNC(=O)c2ccccc2C(=O)O)n[nH]1 66324840 GLJKYAZFYFHWKL-UHFFFAOYSA-N 261.241 0.015 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H]1c1nc(C)no1 861693062 OOOVFGJDNYIERY-SNVBAGLBSA-N 278.312 0.686 0 50 CCAA COc1ccc(C(=O)N[C@H](C)C(=O)NCCF)c(O)c1 282307471 MPTDBJREWSGYCH-MRVPVSSYSA-N 284.287 0.605 0 50 CCAA COC(=O)c1ccc(NC(=O)[C@H]2CCOC2)nc1 282656392 IHIKSLKHJJLENA-VIFPVBQESA-N 250.254 0.843 0 50 CCAA Cc1ccc2nc(Cn3nnc(C4CC4)n3)cc(=O)n2c1 330321825 GJCUZRWRCDMFQY-UHFFFAOYSA-N 282.307 0.915 0 50 CCAA Cn1ccnc1CCSc1nnc(CN)n1C 122793171 CUDOOSPGXPIGDO-UHFFFAOYSA-N 252.347 0.342 0 50 CCAA Cc1noc(C)c1C(=O)NCCSc1nnnn1C 219202398 SBTCMQQKGIVRFK-UHFFFAOYSA-N 282.329 0.337 0 50 CCAA N[C@@H](CNC(=O)c1c[nH]nc1-c1ccncc1)C1CC1 261976028 VFKGTFMRVZKLBN-LBPRGKRZSA-N 271.324 0.939 0 50 CCAA COc1cc(S(=O)(=O)NC[C@@H](C)O)c(C)cc1C 32498326 CQNAZXNDPDMCCM-SNVBAGLBSA-N 273.354 0.971 0 50 CCAA CNS(=O)(=O)CC(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 456105662 SDQIIJBJJVYLAR-BLFANLJRSA-N 284.381 0.206 0 50 CCAA CCO[C@H]1CN(Cc2cc(O)nc(C)n2)C[C@@H]1O 220043858 BEFFXVZTPXEMGG-QWRGUYRKSA-N 253.302 0.072 0 50 CCAA O=C(NCc1cccs1)N1C[C@@H]2NCCO[C@H]2C1 426615607 XEQUAARXPSYMSA-QWRGUYRKSA-N 267.354 0.630 0 50 CCAA CN1CCN(CC(=O)NCc2ccc3nc[nH]c3c2)C1=O 426662114 MYOVHCRTTRNREH-UHFFFAOYSA-N 287.323 0.547 0 50 CCAA COCC1(CNC(=O)CN2CCCC2=O)CCC1 337185766 OZCPJEAZARICNZ-UHFFFAOYSA-N 254.330 0.542 0 50 CCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCC1=CCCCC1 91441777 FWWFJVTURYQAHX-JTQLQIEISA-N 265.313 0.591 0 50 CCAA C[C@@H](CCS(C)(=O)=O)NC(=O)c1cccnc1S 162548718 ZPTNDFOXVDSNEC-QMMMGPOBSA-N 288.394 0.923 0 50 CCAA NC(=O)c1ccc(N2C(=O)C[C@H](NCC3CC3)C2=O)cc1 95630537 WMSKFVBILBIKGL-LBPRGKRZSA-N 287.319 0.417 0 50 CCAA Cc1ccc2nc(COCC(=O)NC[C@H](C)N)[nH]c2c1 96131571 GQTMCHVBTAOUPI-JTQLQIEISA-N 276.340 0.851 0 50 CCAA Cn1ccc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1 268713504 YAUUWZKJEQOPDQ-CMPLNLGQSA-N 299.396 0.473 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@@]13CCCC[C@@]53[C@H]42 248027999 KERNAUZBQLYRHV-SEFCWNAXSA-N 271.320 0.510 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C2CCNCC2)CC1=O 299752519 UKCMDINYZOIUCS-YUSALJHKSA-N 265.357 0.112 0 50 CCAA Cc1c(-c2cc(CN3CCNC(=O)[C@H]3C)on2)cnn1C 184504241 XZTSAFNOGSXCRW-SNVBAGLBSA-N 289.339 0.704 0 50 CCAA C=CC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 863971181 HXARUBQYNNGTLZ-GFCCVEGCSA-N 259.309 0.875 0 50 CCAA Cc1ccc([C@H](O)CNS(=O)(=O)N2CCCC2)cc1 269758672 CBPYHDZIEATPKE-CYBMUJFWSA-N 284.381 0.959 0 50 CCAA COCCn1cncc1CNC(=O)c1nonc1C 299798530 QZJBSRIREQODOJ-UHFFFAOYSA-N 265.273 0.151 0 50 CCAA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Cn1nccn1)C2 299795050 LGNLJLWYJYDRDF-PJXYFTJBSA-N 263.345 0.077 0 50 CCAA Cc1n[nH]nc1C(=O)NCCCn1cc(Cl)cn1 299779796 RCPXGMUKGNLNNG-UHFFFAOYSA-N 268.708 0.783 0 50 CCAA CC(C)n1nccc1NC(=O)NCCN1CCNC1=O 299798547 QPAFRECNWUUHEM-UHFFFAOYSA-N 280.332 0.611 0 50 CCAA CC(C)N1CC[C@H](CN(C)CC(=O)N2CCOCC2)C1 823676262 PUKKQPGTURGMTL-CQSZACIVSA-N 283.416 0.507 0 50 CCAA Cc1nc(N)sc1CC(=O)N[C@@H](C)C(C)(C)O 584891548 LNLXQYJPNPFZIC-ZETCQYMHSA-N 257.359 0.852 0 50 CCAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ncccn1 1875397715 LGFIJYAHVAKPNC-IJLUTSLNSA-N 287.323 0.243 0 50 CCAA Cc1noc2c1CCN(C(=O)C[C@@H]1CN(C)C[C@H]1O)C2 1875403791 CUAXPCIOSQWYRF-ZYHUDNBSSA-N 279.340 0.180 0 50 CCAA CCn1ncnc1CN[C@@H](C)c1nncn1CCOC 952863789 GDLQWPLLGHMSPH-JTQLQIEISA-N 279.348 0.387 0 50 CCAA COC[C@](C)(O)C(=O)N1CCS[C@H](C(C)C)C1 86589493 SURPDZVSTSELMG-JQWIXIFHSA-N 261.387 0.984 0 50 CCAA C/C(=C\c1ccccc1)CN1CCN(S(N)(=O)=O)CC1 221698922 ZWUOTBSAKVLWPY-ACCUITESSA-N 295.408 0.911 0 50 CCAA C[C@@H]1CC[C@H](C(=O)N2CCO[C@@H](CC(=O)O)C2)O1 222264536 VWLGEASSLOVENR-KXUCPTDWSA-N 257.286 0.256 0 50 CCAA CN1CCN(S(N)(=O)=O)[C@@H](c2ccccc2)C1 169616439 WPMACSYNVGRFNI-LLVKDONJSA-N 255.343 0.179 0 50 CCAA in-vitro O=C(NCc1ccc(-c2nnn[nH]2)cc1)C1=COCC1 170626993 NJHQAQUITAVZBW-UHFFFAOYSA-N 271.280 0.787 0 50 CCAA C[C@@H](c1nnnn1C)N1CCC[C@@H]1c1cnn(C)c1 189102144 VZXTXTUFLGOHFP-GXSJLCMTSA-N 261.333 0.842 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1074621931 VJLOLLBEVWUQRE-MVWJERBFSA-N 276.340 0.758 0 50 CCAA Cc1ccc([C@H](C)NCC(=O)N2CCC(C(N)=O)CC2)o1 193637320 CFALJSYNILYGFI-NSHDSACASA-N 293.367 0.963 0 50 CCAA CS(=O)(=O)C1CN(C(=O)c2ccc3c(c2)OCCO3)C1 579680681 JTEWDFIIBKPJEB-UHFFFAOYSA-N 297.332 0.327 0 50 CCAA COc1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)ncn1 681229597 OJBURJUDLWUSIO-NEPJUHHUSA-N 278.356 0.521 0 50 CCAA CNS(=O)(=O)CC(=O)N1CCC[C@H]1C(F)(F)F 913019397 ADORTWNMNQVYCI-LURJTMIESA-N 274.264 0.089 0 50 CCAA Nc1ncccc1CNC(=O)c1cc(O)cc(C(=O)O)c1 1800412007 UFOFZHOJLFHVBG-UHFFFAOYSA-N 287.275 0.998 0 50 CCAA CCC[C@]1(CO)CCN(Cc2nccn2C)C[C@H]1O 1875250696 XUTJIBNAGCTMRC-TZMCWYRMSA-N 267.373 0.766 0 50 CCAA CCN1CCN(C(=O)Nc2ccccc2)C(=O)C1=O 225103817 XSUREXLVISRXMJ-UHFFFAOYSA-N 261.281 0.909 0 50 CCAA CCN(Cc1cn(C)nn1)C(=O)CN1CCCCC1=O 330788964 RHTPYVXELBPBSC-UHFFFAOYSA-N 279.344 0.176 0 50 CCAA CC(=O)N1CCS(=O)(=O)C[C@@H]1c1ccc(C)o1 1875257412 VXUGDVLVDPVJHW-SNVBAGLBSA-N 257.311 0.906 0 50 CCAA CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C(=O)O)[C@@H](C)O 1615586546 BLOZIPXVGSZFFH-QRTLGDNMSA-N 299.298 0.933 0 50 CCAA C[C@H]1CC[C@@H](CNC(=O)c2cncc(C(N)=O)c2)N1C 1615622416 PFIBVBNYIHCBLV-CABZTGNLSA-N 276.340 0.393 0 50 CCAA O=C(c1cn(Cc2ccccc2F)nn1)N1CCOCC1 12585954 OUPRBUNFQWGMOP-UHFFFAOYSA-N 290.298 0.938 0 50 CCAA O=C(O)[C@H]1C[C@H](NS(=O)(=O)c2cccc3nonc23)C1 819092100 RFSOUJUEICDGPR-LJGSYFOKSA-N 297.292 0.364 0 50 CCAA Cn1cnc(CNC(=O)CCc2ccc(C(=O)O)cc2)n1 911406102 OZMYVMDRVMSEHX-UHFFFAOYSA-N 288.307 0.762 0 50 CCAA C[C@H](O)c1ncc(C(=O)NCCn2ccnc2)s1 857436510 AJYRYWFHWDJAAS-QMMMGPOBSA-N 266.326 0.823 0 50 CCAA O=C1CN(C(=O)CN2CCOCC2)c2ccccc2N1 22130713 ZSHQRZDRGYJEFH-UHFFFAOYSA-N 275.308 0.304 0 50 CCAA O=C(O)[C@@H](C1CC1)N1CCN([C@@H]2CCOC2)CC1 635018492 NKYYYRWQXYLRAZ-VXGBXAGGSA-N 254.330 0.256 0 50 CCAA CS(=O)(=O)c1cnn(Cc2noc(C3CCC3)n2)c1 901606245 NGFQGQSMEMDFGU-UHFFFAOYSA-N 282.325 0.985 0 50 CCAA CC(C)(C)c1nc(N)nc(N2CCn3ncnc3C2)n1 893238733 OVWASJXVFFAXFJ-UHFFFAOYSA-N 274.332 0.363 0 50 CCAA Cn1ccc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)n1 864279631 GBBNSHDOHWIAET-SNVBAGLBSA-N 281.312 0.277 0 50 CCAA CC[C@H]1CCN(C(=O)c2[nH]nnc2[C@@H]2CCCN2)CCO1 2325774927 HEXHHCTWKLJTLY-QWRGUYRKSA-N 293.371 0.870 0 50 CCAA CN1C(=O)CC[C@H]1CNC(=O)C[C@@H]1CCCNC(=O)C1 2325789992 ASCGETDRDMCBAR-MNOVXSKESA-N 281.356 0.030 0 50 CCAA Cn1c(NCc2n[nH]c3c2CCCC3)cc(O)nc1=O 2325796482 TZSWJILYLCZOQS-UHFFFAOYSA-N 275.312 0.700 0 50 CCAA COC(=O)/C=C/CNC(=O)CC[C@H]1CCC(=O)C1 2325812170 MLPLWKFHMXWXEM-VMZHVLLKSA-N 253.298 0.981 0 50 CCAA O=C(NC1(c2ncccn2)CCC1)c1coc(O)n1 2325821414 MVQQANRCVFFATG-UHFFFAOYSA-N 260.253 0.979 0 50 CCAA O=C(N[C@@H]1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2)N1CCCNCC1 892428134 UBCYOYQVQLHKJH-NWBUJAPZSA-N 265.357 0.415 0 50 CCAA O=C(NO[C@H]1CCCCO1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 931317045 IGSAWQMQQZHBCG-NAFSEIKSSA-N 253.298 0.984 0 50 CCAA CS(=O)(=O)N(CC(N)=O)c1ccc(F)c(Cl)c1 582175 VRWOOTPETHWKHR-UHFFFAOYSA-N 280.708 0.730 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 225480877 ZAUQRGYUJKRESK-GMTAPVOTSA-N 290.323 0.282 0 50 CCAA C[C@@H](NC(=O)[C@H]1CCCc2cccnc21)c1nnnn1C 225509251 BZKYIXIEPBSAAD-KOLCDFICSA-N 286.339 0.902 0 50 CCAA O=C(NCCO)C(=O)Nc1nc(-c2ccccc2)cs1 8994109 ZNZLLDOCNIOHCA-UHFFFAOYSA-N 291.332 0.857 0 50 CCAA CN1CCN(c2ccc(CNC(=O)C3CC3)cn2)CC1 248165101 ZMJUFVHSHIGVQG-UHFFFAOYSA-N 274.368 0.860 0 50 CCAA COc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)on1 346107364 NBNZMCHWWKAGKD-UFBFGSQYSA-N 292.295 0.677 0 50 CCAA Cc1csc(CN(C)C(=O)[C@H]2CCS(=O)(=O)C2)n1 118255730 XGDPBAKTDLHTBH-VIFPVBQESA-N 288.394 0.845 0 50 CCAA CCc1nnsc1C(=O)N[C@H]1C[C@@H](C(=O)OC)N(C)C1 65422693 XMEOMOXRTIBCJQ-CBAPKCEASA-N 298.368 0.076 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cc(OC)cc(OC)c1 67515439 YBAZVRZBZDXGRW-RISCZKNCSA-N 293.367 0.351 0 50 CCAA CSCC[C@@H](CO)Nc1cc(CN)nc(C)n1 67674722 HZFUAVIQINKPCB-VIFPVBQESA-N 256.375 0.770 0 50 CCAA C[C@@H](CCn1cccn1)NC(=O)c1c[nH]c(=O)cn1 67675660 VHKKHWGZMCGXJT-VIFPVBQESA-N 261.285 0.175 0 50 CCAA NC(=O)c1nccnc1C(=O)N1CCC[C@H]1CF 359569304 YLKBKKXUQXTIJQ-ZETCQYMHSA-N 252.249 0.150 0 50 CCAA CC[C@@H](C(=N)O)N1CCN([C@H](CC)C(=N)O)C[C@H](O)C1 331859540 KBGWGGXLMRVYNK-JGPRNRPPSA-N 286.376 0.593 0 50 CCAA COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)O)C1=O 170622858 VGVOOQMTLKOSFW-JTQLQIEISA-N 292.291 0.980 0 50 CCAA CCS(=O)(=O)CCNC(=O)[C@H]1COc2ccccc2C1 68059585 SIBQVYBQDDJSRE-GFCCVEGCSA-N 297.376 0.789 0 50 CCAA CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc[nH]n1 125588344 QCIMZMGNVFTEPG-ZDUSSCGKSA-N 293.415 0.898 0 50 CCAA O=c1c2cnc3ncnn3c2ccn1-c1ncccc1O 38784074 LHXVMGVTPHTHOT-UHFFFAOYSA-N 280.247 0.529 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)COCC(F)(F)F 232325131 NGHYNHCCMGQQSV-SSDOTTSWSA-N 285.218 0.267 0 50 CCAA CCNC(=O)CN(CC)C(=O)[C@@H]1C[C@@]12CCOC2 364848178 AQFKYOVCRHJWHP-GXFFZTMASA-N 254.330 0.398 0 50 CCAA C[C@@H]1C[C@H](S(=O)(=O)N2CC[C@]3(CCOC3)C2)CCO1 329591613 NWCSNDZBVLAYJS-UPJWGTAASA-N 289.397 0.996 0 50 CCAA C[C@@]1(C(=O)O)CCCCN1C(=O)c1nc2ncccn2n1 216441638 CWBORFIUJLWXDO-ZDUSSCGKSA-N 289.295 0.594 0 50 CCAA Cc1noc(C)c1C(=O)N[C@@H](C(=O)O)[C@H]1CCCOC1 262060402 JBJLJZIQLBFVSW-GXSJLCMTSA-N 282.296 0.901 0 50 CCAA COCCOC[C@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 332682873 KCMLKILJTKGLIL-LBPRGKRZSA-N 281.356 0.854 0 50 CCAA O=c1ccc2cc(S(=O)(=O)NCCO)ccc2o1 35610816 JVUMFPDRILFMJR-UHFFFAOYSA-N 269.278 0.064 0 50 CCAA C[C@@H]1CCCN(C(=O)COC[C@@H]2CCCO2)[C@@H]1CN 237500634 UKYBIGGMPDPIMF-FRRDWIJNSA-N 270.373 0.768 0 50 CCAA C[C@H](O)[C@@H]1CN(c2cc(NC3CC3)ncn2)CCO1 334124714 OFOFTZTXIIITIN-ONGXEEELSA-N 264.329 0.637 0 50 CCAA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1ncn[nH]1 222844865 NOLPLUUEAXKIAP-NXEZZACHSA-N 289.295 0.166 0 50 CCAA COc1ccc(C(=O)NCCF)c(OCCN)c1 426651360 PFYQAQZJHBJVAR-UHFFFAOYSA-N 256.277 0.732 0 50 CCAA C[C@@H](Cc1ccncc1)NC(=O)c1c[nH]c(=O)cc1O 221366662 YRFNPCYNKAMWME-VIFPVBQESA-N 273.292 0.837 0 50 CCAA COC(=O)CC[C@@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@H]1O 43898784 RUDVTXZKYPJLFH-PYJNHQTQSA-N 266.293 0.802 0 50 CCAA in-vitro CNCCCCNC(=O)c1ccc(C)n(C)c1=O 97527337 UEQFWLACPXNGJH-UHFFFAOYSA-N 251.330 0.423 0 50 CCAA Cc1ccc(CNC(=O)[C@@H]2CCC(=O)NC(=O)N2)o1 97772778 NMDPQWZGPNIFFO-VIFPVBQESA-N 265.269 0.192 0 50 CCAA COc1cccn(CC(=O)N(C)C[C@H]2CCOC2)c1=O 95500622 FMPWABQIDILOBQ-LLVKDONJSA-N 280.324 0.352 0 50 CCAA CCN1CC[C@H](N(C)C(=O)CNC[C@H]2CCCO2)[C@H](C)C1 299740157 WIXHQCFPSGMOEN-KFWWJZLASA-N 297.443 0.944 0 50 CCAA CCCN(CCOC)C(=O)NCc1cc(O)ncn1 534674673 XCLXOQOSNDHGFU-UHFFFAOYSA-N 268.317 0.750 0 50 CCAA CN(C)c1nc(NC2CCN(CC(N)=O)CC2)ncc1F 534665385 GRXXOHLRDMQNSY-UHFFFAOYSA-N 296.350 0.043 0 50 CCAA Cc1nonc1CN(C)C(=O)[C@H]1CC12CCNCC2 299793481 HHZVBECLFARQES-SNVBAGLBSA-N 264.329 0.726 0 50 CCAA CO[C@@H](C(=O)N[C@@H]1C[C@@H](C(=O)O)N(C)C1)c1ccccc1 299761995 CRSBKIMWGMWZSF-FRRDWIJNSA-N 292.335 0.648 0 50 CCAA Cc1cc(CN[C@H](C)CNS(=O)(=O)C2CC2)ccn1 584902669 XNFWUPKSODZMBU-LLVKDONJSA-N 283.397 0.950 0 50 CCAA COc1c(C)cnc(CN2C[C@H](O)[C@@H](OC)C2)c1C 670451737 DKWYNIAGCGIIIG-STQMWFEESA-N 266.341 0.899 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)CCc2cnn(C)c2)C1 670472337 VJXJCQVDGKMYBV-LLVKDONJSA-N 278.356 0.337 0 50 CCAA CCOCCC(=O)N1CC[C@H](c2n[nH]cc2N)C1 864381109 QWIGQVSSOXRWEQ-VIFPVBQESA-N 252.318 0.734 0 50 CCAA CC[C@@H](NC(=O)c1cnn2c1NC[C@H](C)C2)C(=O)NC 1548717007 ZBHAWONYHZEGSD-WCBMZHEXSA-N 279.344 0.199 0 50 CCAA Cc1cc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)on1 1875252415 VKHLKPPNRAHRBX-QMMMGPOBSA-N 273.314 0.539 0 50 CCAA O=C(N[C@]1(CO)CCSC1)[C@@H]1CSCCS1 1875297768 CPMUZBZIHLIYBD-WPRPVWTQSA-N 279.452 0.819 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@]1(c2ccccc2)C[C@H](O)C1 1875273025 WJWNCFYHCKCWQK-ZZKVQFEOSA-N 289.331 0.925 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)c2cnc[nH]2)[C@@H](C)C1 1875252202 RGVRLJCEAFTXTF-WPRPVWTQSA-N 250.302 0.396 0 50 CCAA CCc1nc(CN2C(=O)CN(CCC3CC3)C2=O)n[nH]1 1875308176 SRMYAMDGEOOACK-UHFFFAOYSA-N 277.328 0.931 0 50 CCAA Cn1ccc(CCc2nc(-c3ccc(=O)n(C)c3)no2)n1 952847494 BHNFBWVLZRIKQP-UHFFFAOYSA-N 285.307 0.954 0 50 CCAA CCOC(=O)c1cnc(NN(C)C[C@H](C)O)nc1C 952883924 ZMVRJWMTAXYGFE-QMMMGPOBSA-N 268.317 0.601 0 50 CCAA OC[C@H]1CCCN(CCCNC[C@H]2[C@@H]3CNC[C@H]23)C1 952987378 MEVCXELEBQYTKX-ZQDZILKHSA-N 267.417 0.136 0 50 CCAA Cc1ncc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)[nH]1 888095176 LYIMUCUYEMFILF-GAFUQQFSSA-N 292.339 0.274 0 50 CCAA CC(=O)N1CCC(C(=O)N[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)CC1 1771931120 ZNVFOWMEQMDXKY-QNWHQSFQSA-N 294.351 0.470 0 50 CCAA CCOc1cccc(CC(=O)N[C@@]2(C)CCNC2=O)n1 889023197 UXZYERVXNYHMKJ-AWEZNQCLSA-N 277.324 0.418 0 50 CCAA O=C(N[C@H]1C[C@H]2OCC[C@@H]12)c1ccn2nnnc2c1 1565514301 ZBAOOVBLTNFFQO-LPEHRKFASA-N 259.269 0.032 0 50 CCAA CN1CC[C@@H]2CN(C(=O)c3cccn3C)C[C@]2(C(=O)O)C1 1565512732 SWWOXDVPSABUAU-IAQYHMDHSA-N 291.351 0.504 0 50 CCAA CN(C)CCO[C@H]1COCC[C@@H]1NC(=O)c1cc[nH]c1 1565527422 RXVIZOLZBHAEHP-STQMWFEESA-N 281.356 0.480 0 50 CCAA Cc1cc(=N)[nH]c(SCCN2C(=O)N[C@H](C)C2=O)n1 412988953 MOBRJQQTFMCYIE-SSDOTTSWSA-N 281.341 0.230 0 50 CCAA COC[C@]1(C)NC(=O)N(Cc2cncc(F)c2)C1=O 280952298 JVJIWEHYIIUINW-LBPRGKRZSA-N 267.260 0.678 0 50 CCAA CC[C@@]1(CO)CCCN1C(=O)NCc1nc(N(C)C)n[nH]1 637787423 MDWDQEPXSQVJOI-ZDUSSCGKSA-N 296.375 0.317 0 50 CCAA C=CC(=O)NCCNC(=O)c1c(C)noc1C(F)F 746238201 JLKRTHSCCPYYKQ-UHFFFAOYSA-N 273.239 0.953 0 50 CCAA CO[C@@H]1CN[C@H](C(=O)NCc2nccn2CC(C)C)C1 583618165 HHEYZZILSRMCAG-RYUDHWBXSA-N 280.372 0.532 0 50 CCAA O=C(COc1ccc(F)cc1)NCCN1CCOCC1 19335758 HLPWXMCPJQPFCK-UHFFFAOYSA-N 282.315 0.653 0 50 CCAA CC(C)c1nnc(N2CC[C@@]3(CNC(=O)CO3)C2)s1 1800410744 ZRXHGIQJEYKJQJ-GFCCVEGCSA-N 282.369 0.757 0 50 CCAA O=C(c1ccc[nH]1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704356723 IVCYRHBCLMGFNR-ZWNOBZJWSA-N 272.308 0.480 0 50 CCAA COCCN1CCN(C[C@@H]2CCC(=O)N(C(C)C)C2)CC1 1772815214 KVRKYLWASIKWLN-HNNXBMFYSA-N 297.443 0.897 0 50 CCAA COc1cnc(N2CCC3(CC2)CN(C)CCO3)nc1 1772809791 DUCOOVBKSIRRBX-UHFFFAOYSA-N 278.356 0.786 0 50 CCAA O=C1C[C@H]2CN(C(=O)Cc3nc4ccccc4o3)C[C@H]2N1 1857671766 PDOBJOLGBRQGDS-GXSJLCMTSA-N 285.303 0.717 0 50 CCAA CCc1cnc(CC(=O)N2CCCC[C@@H]2C(=O)O)[nH]1 901502957 YHYHADCXTYXTCR-SNVBAGLBSA-N 265.313 0.980 0 50 CCAA C[C@]1(O)CCOC2(CCN(CCS(C)(=O)=O)CC2)C1 1704316415 OQYSMEKVDGSPOA-LBPRGKRZSA-N 291.413 0.427 0 50 CCAA CCN(C)c1cc(N2C[C@H]3COC[C@@H](C2)CN3C)ncn1 1704312728 XQQGMAUVJNAIMR-OLZOCXBDSA-N 291.399 0.700 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC(C)(C)CC[C@H]1CO 1120776701 OZRFSGLVUWCYOK-NSHDSACASA-N 268.357 0.640 0 50 CCAA CN1CCC[C@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 857512530 OQROIMBIGMFECX-HNNXBMFYSA-N 291.399 0.692 0 50 CCAA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1c[nH]nn1 108285522 CRFRZDXKNBLSKJ-SECBINFHSA-N 274.280 0.717 0 50 CCAA O=C(NC1(CO)CCOCC1)c1[nH]nc2ccccc12 226803257 QLTMVJWGXCKWJQ-UHFFFAOYSA-N 275.308 0.834 0 50 CCAA CCc1nc(=NC(=O)c2cnc(NC(C)C)nc2)o[nH]1 2100539354 DSFBDJNKBKNHDS-UHFFFAOYSA-N 276.300 0.917 0 50 CCAA C[C@H](O)CONC(=O)C1(CN)C[C@H]2CCC[C@@H]2C1 2325801848 YIBJMKDSWGYRAQ-HBNTYKKESA-N 256.346 0.570 0 50 CCAA CC1(C)CCN(c2ncnc3c2ncn3C[C@H](O)CO)C1 2325815237 XGUMVJUHOOPYLX-JTQLQIEISA-N 291.355 0.416 0 50 CCAA COc1ccc(-c2nnc(SCC(=O)O)n2N)cc1 407301 VGSUDIOIUWNJCU-UHFFFAOYSA-N 280.309 0.844 0 50 CCAA C[C@H](NC(=O)CCNC(=O)OCc1ccccc1)C(=O)O 4762819 SQWWYTCYIFGJBQ-JTQLQIEISA-N 294.307 0.892 0 50 CCAA CCCCN1C(=O)[C@H]2N=C(O)N[C@H]2N(CC)C1=O 6051046 RCDWSMRVDGNVAD-YUMQZZPRSA-N 254.290 0.283 0 50 CCAA c1cc2c(cc1CNCCN1CCOCC1)OCO2 20493993 BBTDPYRNQBCTGF-UHFFFAOYSA-N 264.325 0.837 0 50 CCAA O=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1ccon1 136903658 YWKQYDFOQDTHIG-NSHDSACASA-N 279.340 0.905 0 50 CCAA CC(=O)NC(C)(C)C[C@H](C)NCCCc1nn[nH]n1 1506399531 HDZTXLJILJAIEB-VIFPVBQESA-N 268.365 0.415 0 50 CCAA CCc1nn(C)c(Cl)c1CN1CCO[C@@H](CN)C1 67770012 MRERPZZMZKWSIQ-VIFPVBQESA-N 272.780 0.795 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)COc1cccnc1 282188111 NRKYBYAFZYEISH-KOLCDFICSA-N 263.297 0.244 0 50 CCAA O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@@H]1CCCOC1 328622485 IKMNAUDZGXIGLN-GHMZBOCLSA-N 264.329 0.783 0 50 CCAA CCCCCC(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1 328621421 ALBPNDNXXLLUMK-LBPRGKRZSA-N 286.372 0.811 0 50 CCAA CN(CC1CC1)C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 328643492 RHTJRENCOBQUBI-ZIAGYGMSSA-N 282.384 0.592 0 50 CCAA CN(CC1CC1)C[C@H]1CN(C(=O)[C@@H]2CCCOC2)CCO1 328623664 CBEFDOKFDPOKRS-CABCVRRESA-N 296.411 0.982 0 50 CCAA Cn1nnc2c1C[C@H](C(=O)N1CCC(F)(F)C1)CC2 329565494 KKTYUFNNPUKHNV-MRVPVSSYSA-N 270.283 0.788 0 50 CCAA CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[C@@H]1CCC[C@H]1O 367505841 DLHJYJQDAIZTHK-UMSGYPCISA-N 263.341 0.895 0 50 CCAA NC(=O)[C@@H]1CSCCN1Cc1nnc2n1CCCCC2 369745796 QVCKNKRWVIURLJ-JTQLQIEISA-N 295.412 0.407 0 50 CCAA O=C(NCCc1noc(C(F)(F)F)n1)c1ccnnc1 219615816 PCDKOMIRAPKZLQ-UHFFFAOYSA-N 287.201 0.851 0 50 CCAA CC(C)N1C[C@@H](C(=O)NCCn2cc(Cl)cn2)CC1=O 77406900 PMXSQGBIBIDEGH-JTQLQIEISA-N 298.774 0.910 0 50 CCAA CSc1nc(C(=O)N2CCOC[C@@H](O)C2)cs1 77485581 JBYKOESSNDMDRF-ZETCQYMHSA-N 274.367 0.698 0 50 CCAA O=C(NC[C@@]1(O)CCNC1)c1cnc2ccccc2n1 240971712 UBQDATHEQITDAZ-CQSZACIVSA-N 272.308 0.084 0 50 CCAA CN(C)C1(CNC(=O)Cc2cccnc2)CCOCC1 73131189 BTCIGRIJHNYHNH-UHFFFAOYSA-N 277.368 0.851 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cnc2ccccc2n1 286610134 BDZHTAVCWPAORJ-PELKAZGASA-N 288.282 0.668 0 50 CCAA COC(CN1CCN(C(=O)c2cc(C)n[nH]2)CC1)OC 71762999 OSKWLOQHGVEOQW-UHFFFAOYSA-N 282.344 0.095 0 50 CCAA FC(F)(F)Cn1cc(CN=c2[nH]ccn3cnnc23)cn1 532166934 OJNFRWPTHIVHBY-UHFFFAOYSA-N 297.244 0.917 0 50 CCAA COCC(=O)NCCNc1ccc(-n2ccc(C)n2)nn1 82230534 QDXGEFVWWXBADP-UHFFFAOYSA-N 290.327 0.145 0 50 CCAA CCO[C@H](C)C(=O)NC(C)(C)c1nnc(N)s1 426370834 UASMKYPTVWDSGI-ZCFIWIBFSA-N 258.347 0.897 0 50 CCAA Cc1cc(CCNC(=O)N2C[C@@H]3CC[C@]3(N)C2)nn1C 1553534896 ZXIUJVIXSWGEJX-FZMZJTMJSA-N 277.372 0.404 0 50 CCAA CCNC(=O)[C@H](C)Sc1nnc(CNC)n1C 426387900 QANSGCRLMZOCRU-ZETCQYMHSA-N 257.363 0.151 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CCSCC2)n1C 426552086 XPLPMUFZRBGSDZ-UHFFFAOYSA-N 252.339 0.883 0 50 CCAA CCN1CCC[C@@H](C(=O)NCCn2ccnn2)C1 426517564 JYYPRFQXRUGRSU-LLVKDONJSA-N 251.334 0.126 0 50 CCAA C[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@]1(C)O 91780703 CMNLEJLQBHWMBJ-BMIGLBTASA-N 292.335 0.394 0 50 CCAA Cc1cc(S(=O)(=O)N[C@H]2CCNC2=O)c(C)s1 534578502 HXGDQTIWRLWGDT-QMMMGPOBSA-N 274.367 0.532 0 50 CCAA Cc1nnc(N2CCC3(CC2)CN[C@@H](C(=O)O)C3)s1 91526509 ZQSABOHWKGIDNV-SECBINFHSA-N 282.369 0.880 0 50 CCAA COC[C@@H](NC(=O)CCC(=O)O)c1ccccn1 534663444 OJSZMYYRCNUDEE-SNVBAGLBSA-N 252.270 0.750 0 50 CCAA CC(C)C[C@H](NC(=O)CS(C)(=O)=O)c1ncnn1C 534675561 XRSAQKSDFHQFIG-VIFPVBQESA-N 288.373 0.063 0 50 CCAA CN1CCN(CC(=O)N2CCCC3(CCNCC3)C2)C1=O 534675151 SFFFXXVGNPCEDJ-UHFFFAOYSA-N 294.399 0.346 0 50 CCAA C[C@H](CS(C)(=O)=O)NCC1(N(C)C)CCN(C)CC1 823759458 JRYPNKSLOZBABP-GFCCVEGCSA-N 291.461 0.035 0 50 CCAA CCCn1cnnc1[C@@H](C)NC(=O)CN1CCCCC1=O 584895223 LMLOPCUFWQWPAV-LLVKDONJSA-N 293.371 0.878 0 50 CCAA COCC[C@H]1CCCN(C(=O)CCNC(C)=O)C1 584899584 KZNLIGQELGGGOS-GFCCVEGCSA-N 256.346 0.788 0 50 CCAA CNc1ncccc1C(=O)N[C@H](C)c1nc(N)n[nH]1 584889343 KIYYASHWNOSRQX-ZCFIWIBFSA-N 261.289 0.315 0 50 CCAA O=C(Cc1cn2ccccc2n1)NO[C@H]1CCOC1 1875259404 HXZLUMUNBFLQNS-NSHDSACASA-N 261.281 0.714 0 50 CCAA CCOCc1ccc(CNC(=O)C[C@@H]2CNC[C@H]2O)cc1 1875398095 AVFWVDGKKZWARS-HUUCEWRRSA-N 292.379 0.810 0 50 CCAA Cc1ccc(CC(=O)N(C)N2CCS(=O)(=O)CC2)cc1 952992361 KWSJNGKGPGWJHA-UHFFFAOYSA-N 296.392 0.641 0 50 CCAA CCN(CCn1cccn1)S(=O)(=O)c1cn[nH]c1 952869680 YIESTDXPVPJYFB-UHFFFAOYSA-N 269.330 0.317 0 50 CCAA CCc1nccn1CCC(=O)N(C)CCC(=O)N(C)C 952973553 OMXPIUCZINESBO-UHFFFAOYSA-N 280.372 0.772 0 50 CCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NS(=O)(=O)C2CC2)C1 886080260 ROYOOHYSIJTVSV-RTXFEEFZSA-N 288.413 0.710 0 50 CCAA O=C(NCc1cnn[nH]1)[C@H]1NCCOc2ccccc21 1775473351 QZNXMYKGZDJPNI-LBPRGKRZSA-N 273.296 0.144 0 50 CCAA CCc1[nH]nc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1Cl 1776002197 RCBBCKLEMQBHTR-ZETCQYMHSA-N 298.730 0.902 0 50 CCAA Cc1noc2ncnc(N3CCC[C@@](O)(CN(C)C)C3)c12 631343646 GKDZDWJTFVQHBA-CQSZACIVSA-N 291.355 0.819 0 50 CCAA COC[C@@]1(C(=O)O)CCN(c2cc(C)nc(OC)n2)C1 517033423 JYNAIFBKTUZHHI-CYBMUJFWSA-N 281.312 0.721 0 50 CCAA O=C1CC(C(=O)N2CCC[C@H](C(F)(F)F)C2)=NN1 584906804 MBAYSGSFNOLJJF-LURJTMIESA-N 263.219 0.663 0 50 CCAA CC(C)C[C@H](NC(=O)c1cnc2cccnn12)C(=O)O 585134759 JFLNSZIDNANFAS-VIFPVBQESA-N 276.296 0.958 0 50 CCAA Cc1ccc(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c(C)c1 639848172 XSOHGIMWZSOCSK-STQMWFEESA-N 275.352 0.322 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccncc2)C1 643755485 VPRHGMBMUHSMAX-OAHLLOKOSA-N 277.368 0.887 0 50 CCAA O=C1C[C@@H](C(=O)NCc2cccnc2-n2ccnc2)CN1 194865641 ATKAIIXBDGHISR-LLVKDONJSA-N 285.307 0.020 0 50 CCAA CCc1nc(CNC(=O)N(C)CC2=CCCOC2)n[nH]1 664973529 ORYMDTQPJRRQFE-UHFFFAOYSA-N 279.344 0.855 0 50 CCAA CN(C)S(=O)(=O)CCCN1CCC(C(=O)O)CC1 699064809 XWYZFJPBCYXOAU-UHFFFAOYSA-N 278.374 0.065 0 50 CCAA OCCOCCN[C@@H]1CCN(c2ccccc2)C1 1506407476 OMBUTESSTSMQFF-CYBMUJFWSA-N 250.342 0.864 0 50 CCAA CCN1C[C@H](CN(C)c2nc(C(N)=O)cs2)CC1=O 1529126008 KUCDKQHFCWRHKF-QMMMGPOBSA-N 282.369 0.547 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)CC(=O)O 2386815 DAUHTFNYHSOVRQ-ZETCQYMHSA-N 260.290 0.620 0 50 CCAA in-vitro O=C1CCCN1[C@@H]1CCN(S(=O)(=O)CC2CCC2)C1 330153546 OERDKJLBNJQDDB-GFCCVEGCSA-N 286.397 0.813 0 50 CCAA CC(=O)c1ccc(N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)nc1 1704304362 QNFVHVDXBAILFP-OKILXGFUSA-N 290.275 0.650 0 50 CCAA COCCCCN(C)C(=O)[C@@H](O)[C@H]1COC(C)(C)O1 1615604588 AJYNXJQKPHIAAZ-MNOVXSKESA-N 275.345 0.384 0 50 CCAA CC(=O)c1ccc(C(=O)N[C@@H]2CNCC[C@@H]2O)s1 1616119423 LVSGKVMRNSPQNE-BDAKNGLRSA-N 268.338 0.403 0 50 CCAA COCc1cc(CNC(=O)c2nc(Cl)n(C)n2)[nH]n1 1857704577 XYVKQDJRVYQCAD-UHFFFAOYSA-N 284.707 0.268 0 50 CCAA CCn1ncc(C(=O)NC)c1NC(=O)C1CCOCC1 1857721864 JHOZLQZEEHLXQZ-UHFFFAOYSA-N 280.328 0.628 0 50 CCAA CN(C)CC(=O)NCC(C)(C)N1CCSCC1 1775988405 FAWXEYRKXHPEHK-UHFFFAOYSA-N 259.419 0.492 0 50 CCAA O=C(NCCCO)c1cnc(-c2ccccc2)[nH]c1=O 19937182 WWLOEZIDLKLMRC-UHFFFAOYSA-N 273.292 0.549 0 50 CCAA CN(C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 165591749 WNVCRAUZUATQRQ-SSDOTTSWSA-N 260.290 0.443 0 50 CCAA COC(=O)c1ccc(CN2CCNCCC2=O)cc1 204034824 NZICKHMZVYRJPR-UHFFFAOYSA-N 262.309 0.795 0 50 CCAA CCO[C@@]1(c2nnc3n2C[C@H](C(=O)OC)CC3)CCOC1 601043775 BHQDARCUFWDHBI-YGRLFVJLSA-N 295.339 0.666 0 50 CCAA OC[C@H]1CCN(c2ncnc3ccccc23)C[C@@H]1O 571354930 ABYYOJNPFYXAOP-MFKMUULPSA-N 259.309 0.809 0 50 CCAA O=C(c1ccc2nccnc2c1)N1CC[C@H](O)[C@H](CO)C1 396824528 BAWBVTVNPQLDOR-FZMZJTMJSA-N 287.319 0.445 0 50 CCAA O=C(O)c1ccc(C(=O)NC[C@@H](O)C(F)F)nc1 1875266701 YOCFMYASSAKSFK-SSDOTTSWSA-N 260.196 0.136 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC[C@H]1C(=O)OC 900121172 RQLAZSIZTJFBGI-JTQLQIEISA-N 268.313 0.185 0 50 CCAA CCCc1cnc(N2CC[C@@H](O)[C@@H](C(=O)O)C2)nc1 1704298872 KKYQVQHAWZTRNK-WDEREUQCSA-N 265.313 0.701 0 50 CCAA Cc1ncc(C(=O)N2CCCCC[C@H]2CO)c(N)n1 828710617 OJKDPAYTJQNUIZ-JTQLQIEISA-N 264.329 0.744 0 50 CCAA Cc1[nH]ncc1S(=O)(=O)N1C[C@@H]2CCC[C@@H](N)[C@H]2C1 252847743 GGFBACZYGHLFGP-GARJFASQSA-N 284.385 0.466 0 50 CCAA CCc1onc(C)c1C(=O)N1CCO[C@H](CC(=O)O)C1 192887988 WBRDVPDOUWKOON-SECBINFHSA-N 282.296 0.861 0 50 CCAA Cn1nnc(CN2CC[C@@H](Oc3cccnc3)C2)n1 194448173 FPQKLZWEQWAPLM-LLVKDONJSA-N 260.301 0.258 0 50 CCAA NC(=O)c1ccc(N2CCC(O)(C(F)(F)F)CC2)nn1 312370690 KWDVDFLTHIOTTJ-UHFFFAOYSA-N 290.245 0.469 0 50 CCAA CSCC[C@H](NC(=O)CCc1cn[nH]c1)C(=O)O 426538463 UEJDUFIOCLTGII-VIFPVBQESA-N 271.342 0.665 0 50 CCAA CCCN1CC[C@H](CNS(=O)(=O)c2cn[nH]c2)C1 534653746 KTTDVJJQPXYXMN-SNVBAGLBSA-N 272.374 0.420 0 50 CCAA O=S1(=O)C[C@H](O)[C@@H](Nc2ncnc3sccc23)C1 1565510596 QVKRIZVCYAKBNN-YUMQZZPRSA-N 285.350 0.261 0 50 CCAA CC(=O)N[C@@]1(C(F)(F)F)N=C2SCCN2C1=O 4580187 ZMLYHQIDLGMHLG-SSDOTTSWSA-N 267.232 0.326 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1ccc(F)c(O)c1 534576698 QBEGLHMPQXUCAK-ONGXEEELSA-N 255.245 0.675 0 50 CCAA CC1(C)CCN(C[C@H](O)C2(O)CCOCC2)[C@H]1C(=O)O 2325803178 VXWILDVSFAZPNK-QWRGUYRKSA-N 287.356 0.074 0 50 CCAA COC(=O)N1CCC[C@H](NC(=O)N[C@H]2CCN[C@@H]2C)C1 2325806802 HHKQOOGAEXESGT-VWYCJHECSA-N 284.360 0.267 0 50 CCAA NCc1cccc(-c2ccc(C(=O)N[C@@H](CN)CO)cc2)c1 2325821622 BVLWYJTWQCVHHJ-INIZCTEOSA-N 299.374 0.862 0 50 CCAA C[C@H]1COC(=O)[C@H]1NC(=O)Cc1ccc2nc(O)[nH]c2c1 2325827118 VNLSDSGFQUOREV-MADCSZMMSA-N 289.291 0.489 0 50 CCAA CCOC(=O)c1sc2nc(C)n(N)c(=O)c2c1C 40424 CXBRHOAOLFTBPG-UHFFFAOYSA-N 267.310 0.965 0 50 CCAA Cc1nc2n(CC(=O)N3CCOCC3)c3ccccc3n2n1 445001 VNXNCNLTMQHJIW-UHFFFAOYSA-N 299.334 0.851 0 50 CCAA COC(=O)c1nnn(Cc2ccccc2)c1C(=O)OC 1017454 VJJJUFPCCWACER-UHFFFAOYSA-N 275.264 0.900 0 50 CCAA Cc1noc(C)c1CCC(=O)N1C[C@H]2COC[C@@]2(CO)C1 2356162361 ACWJOYQLFDYTTL-WFASDCNBSA-N 294.351 0.691 0 50 CCAA CN1CCN(Cc2nc(N)nc(N3CCCCC3)n2)CC1 20414451 WVOFKCSIJHHMBM-UHFFFAOYSA-N 291.403 0.192 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1c[nH]c2ccccc12 67894052 XCGGXYSCJFPSMX-ZANVPECISA-N 286.335 0.456 0 50 CCAA CNc1ncc(CN(C)c2cc(OC)ncn2)cn1 65424900 SXJIBWJWUNNTOF-UHFFFAOYSA-N 260.301 0.953 0 50 CCAA O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCC(c2nnc(O)o2)CC1 425329041 YSBCJCILMRTVAC-GMTAPVOTSA-N 293.323 0.906 0 50 CCAA COc1coc(C(=O)N[C@H](CO)C(C)(C)C)cc1=O 282181103 DHKUXFPPLAYSGP-LLVKDONJSA-N 269.297 0.785 0 50 CCAA CCCCN(C)S(=O)(=O)N[C@H]1CN(CC)C[C@H]1C 257366436 YSHUOSFXQQEVMO-NEPJUHHUSA-N 277.434 0.893 0 50 CCAA CCn1cc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2C)cn1 257365443 SVFTULSAXGTPDK-NEPJUHHUSA-N 298.412 0.760 0 50 CCAA CC(C)CN1CCN(C(=O)c2ccc[nH]c2=O)[C@H](C)C1=O 77458811 QKHVEHKLQMRJFS-LLVKDONJSA-N 291.351 0.704 0 50 CCAA O=C(O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 368755502 CEFODDSFQMNJDD-NSHDSACASA-N 276.292 0.378 0 50 CCAA Cc1nc[nH]c1CSCCNC(=O)C[C@H]1COCCN1 72126496 RDUWTCKFPHCDOV-NSHDSACASA-N 298.412 0.446 0 50 CCAA Cc1cc(C)nc(CCNC(=O)c2nc3ncccn3n2)n1 215176190 ZKAGXKRRSJGTKP-UHFFFAOYSA-N 297.322 0.504 0 50 CCAA C[C@@H]1COCCN(C(=O)c2ccccc2OCC(N)=O)C1 378262517 WPQMVXNBLFDCGQ-NSHDSACASA-N 292.335 0.659 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)Cn1nnc2ccccc21 238070754 UEMHHSWFMNMAOJ-NSHDSACASA-N 274.280 0.507 0 50 CCAA Nc1[nH]nc(C(=O)NCC[C@@H]2CCOC2)c1Cl 222246503 PROGWVKULDNDGH-ZCFIWIBFSA-N 258.709 0.802 0 50 CCAA O[C@@H]1CNCC[C@H]1CNC1CSCCSC1 426388361 DOGSSPGYSSYTAY-GXSJLCMTSA-N 262.444 0.395 0 50 CCAA CN(C)C(=O)CN1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95509294 MOCRKJACUKORCM-CZUORRHYSA-N 290.363 0.545 0 50 CCAA CCn1nc(C(C)C)cc1C(=O)N[C@]1(C(=O)O)CCNC1 95511435 FXEZFIINPOKHPU-CQSZACIVSA-N 294.355 0.573 0 50 CCAA Nc1n[nH]c(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c1Cl 91906607 YYXLMIRQJLFILX-NKWVEPMBSA-N 298.730 0.828 0 50 CCAA CNC(=O)C[C@H](C)N(C)Cc1cc(=O)n2nc(C)cc2[nH]1 334159708 UVQRIJYBWBHGBH-JTQLQIEISA-N 291.355 0.287 0 50 CCAA O=C(c1cccc(-n2cnnc2)c1)N1CC=C[C@@H]1CO 91452723 DTGKQEKFQJFVCG-CYBMUJFWSA-N 270.292 0.640 0 50 CCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(c1ccccn1)CC2 95378595 NOCIPYCAUURYNM-LLVKDONJSA-N 289.335 0.984 0 50 CCAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)CCC(=O)O 426507806 AOCKCHAIHXHBGQ-JTQLQIEISA-N 284.356 0.957 0 50 CCAA Cc1nonc1OCCNC(=O)[C@@H]1CCCCCN1C 91819810 XXIIMWOADMSYMW-NSHDSACASA-N 282.344 0.747 0 50 CCAA O=C(CCN1CCS(=O)(=O)CC1)Nc1nccs1 240662492 PLQHVDYZVDDBFZ-UHFFFAOYSA-N 289.382 0.202 0 50 CCAA COC(=O)N1[C@H]2C=C[C@@H]([C@H](C(=O)O)[C@H]2C(=O)O)[C@H]1C 245247120 QAOKJXBCIUHDPZ-DFTQBPQZSA-N 269.253 0.413 0 50 CCAA C[C@H](CN1CCOCC1)NC(=O)c1cncs1 298498349 GLAUHMFTWJQLAE-SECBINFHSA-N 255.343 0.594 0 50 CCAA Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)c(=O)n1C 534632896 DPRDBVSMYLFLJU-LLVKDONJSA-N 278.308 0.773 0 50 CCAA CCOCC(C)(C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 355089870 FXCNWOMAPCFXEH-GFCCVEGCSA-N 299.415 0.328 0 50 CCAA Cc1cc(C)n(CC(=O)NC(C)(C)CN(C)C)c(=O)n1 457206161 AXCMYRNPSMJCOI-UHFFFAOYSA-N 280.372 0.317 0 50 CCAA OCC[C@@H]1CN(CCc2cn[nH]c2)CCN1CC1CC1 299795268 LTOMFKGJGYFARQ-OAHLLOKOSA-N 278.400 0.731 0 50 CCAA COCCc1noc(CNC(=O)c2ccncc2C)n1 299762436 WKQZNZDPMRAQNI-UHFFFAOYSA-N 276.296 0.892 0 50 CCAA COCCN1CC[C@H](CNC(=O)C2(N)CCCC2)C1 824412361 IIWXWNGRABNUFA-GFCCVEGCSA-N 269.389 0.342 0 50 CCAA C[C@H](CS(C)(=O)=O)NCC1(Cn2ccnc2)CC1 821381944 QIXCGVZQNYBGLR-LLVKDONJSA-N 271.386 0.686 0 50 CCAA COCC1(CNC(=O)CN2CCC[C@@H](O)C2)CCC1 584898002 QHGFJRYIXFCRJE-GFCCVEGCSA-N 270.373 0.376 0 50 CCAA Nc1ncc(C(=O)NCCCN2CCC[C@@H](CO)C2)s1 584888005 WWEQOJGNVNUKKU-SNVBAGLBSA-N 298.412 0.550 0 50 CCAA OC[C@@H]1CCCCN1CCCNc1nc[nH]c2ncnc1-2 670469791 LPUWKPQTLLMWHA-NSHDSACASA-N 290.371 0.953 0 50 CCAA O=C(O)COc1cccc(CNC(=O)[C@H]2CCCO2)c1 268905760 MUBRLCWNMQCQFZ-GFCCVEGCSA-N 279.292 0.945 0 50 CCAA CS(=O)(=O)c1ccc(N2CCC[C@H]2c2nc[nH]n2)nc1 1875286873 KGHIJYZZGMPBSW-JTQLQIEISA-N 293.352 0.945 0 50 CCAA O=C1CCc2c(cccc2C(=O)N2C[C@@H]3C[C@@]3(O)C2)N1 1875294994 AKWIKXTZFOTZML-BJOHPYRUSA-N 272.304 0.778 0 50 CCAA COc1nn(C)cc1CNC(=O)/C=C/CN(C)C 1875376887 MCMWOEXBFNWANT-AATRIKPKSA-N 252.318 0.163 0 50 CCAA C[C@H]1CN(c2cc3c(O)ncnc3cn2)C[C@@H](CO)O1 1875395245 SRUBQXGGDGUMSS-IUCAKERBSA-N 276.296 0.316 0 50 CCAA C[C@H](C(=O)NS(C)(=O)=O)c1ccc2c(c1)CNC2=O 1875382525 FEXIZGXFZHSIJB-ZETCQYMHSA-N 282.321 0.109 0 50 CCAA COc1cccc(OC2CN(C(=O)[C@H]3C=CCN3)C2)c1 952971667 OSFXSVYQXXCNFB-CQSZACIVSA-N 274.320 0.813 0 50 CCAA Cc1ccoc1C(=O)NCC1CCN(C(=O)CCO)CC1 952974846 KIJQMTOWGUYOBX-UHFFFAOYSA-N 294.351 0.939 0 50 CCAA O=C([C@@H]1CCCN(c2ncc(F)cn2)C1)N1CCOCC1 301804594 XSYYPUIKVMZDSS-LLVKDONJSA-N 294.330 0.691 0 50 CCAA CCNC(=O)C1CN(C[C@@H]2CCO[C@H]2c2cnn(C)c2)C1 668231646 HELOEUKAGITPLB-SMDDNHRTSA-N 292.383 0.566 0 50 CCAA C[C@@H]1NCC[C@H]1C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 582419073 IUWRBROMLNSJCY-AXTRIDKLSA-N 279.315 0.466 0 50 CCAA Nc1c(O)nc(O)nc1C(=O)Nc1ccc(F)nc1 766747726 OOXNYFLDJBJTQX-UHFFFAOYSA-N 265.204 0.256 0 50 CCAA O=C1CC[C@H](Nc2ncc(F)cn2)[C@@H]([C@@H]2CCCO2)N1 685921374 IZMNLTRLOFFMJR-NHCYSSNCSA-N 280.303 0.854 0 50 CCAA COC1CCN(S(=O)(=O)NCc2ocnc2C)CC1 907597193 NOGGHEHYHNELJG-UHFFFAOYSA-N 289.357 0.428 0 50 CCAA CN1CC[C@](C)(CN(C)C(=O)CN2CCOC2=O)C1 1506401019 DDAMAKHTTOSSLA-ZDUSSCGKSA-N 269.345 0.239 0 50 CCAA CSC[C@H](NC(=O)c1cc(C(C)C)nc(N)n1)C(=O)O 1506396440 TTZKLQLWIONUFI-VIFPVBQESA-N 298.368 0.728 0 50 CCAA O=C1CCCCN1CC(=O)N1CCC[C@@](F)(CO)C1 336516833 VDCDNDHJYROWEJ-ZDUSSCGKSA-N 272.320 0.322 0 50 CCAA CC(C)COCCN1CCC[C@](O)(CC(=O)N(C)C)C1 643811882 CFOHIDPUHBQKLQ-HNNXBMFYSA-N 286.416 0.964 0 50 CCAA O=C1CO[C@H](C(=O)O)[C@@H](c2ccccc2Cl)N1 1800410778 ZZCPFQDMNHQXHG-ZJUUUORDSA-N 255.657 0.981 0 50 CCAA CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 365018914 PHCWVMCFVZFDGW-AXFHLTTASA-N 276.402 0.948 0 50 CCAA Cc1cc(CC(=O)NC[C@H]2Cc3nnc(C)n3C2)on1 1772712059 GOAWSFKGACYXFW-SNVBAGLBSA-N 275.312 0.414 0 50 CCAA O=C(O)CCC(=O)Nc1ccc2c(c1)C(=O)NC2=O 5065746 BOAYUVNHWIKFHG-UHFFFAOYSA-N 262.221 0.374 0 50 CCAA O=C1CN(Cc2ncc[nH]2)C[C@@H](O)CN1C1CCCCC1 14744442 FQCTZBDFFVEYPZ-CYBMUJFWSA-N 292.383 0.748 0 50 CCAA COc1cccnc1N(C)C(=O)CN1CCCC1=O 121616537 GWUXMVFVTAJZGD-UHFFFAOYSA-N 263.297 0.675 0 50 CCAA COCCOc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2)c1 237184939 NCETYZLCWMGOSS-OCCSQVGLSA-N 294.351 0.051 0 50 CCAA CCCN(Cc1nnc(C)o1)[C@@H]1CC(=O)N(C)C1=O 253392423 DEQAAFGXWBVZCE-SECBINFHSA-N 266.301 0.347 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1cnc2cnccn12 818629430 FFPHRRBZKXISSP-CQSZACIVSA-N 290.323 0.795 0 50 CCAA CC1(C)CC[C@@H]1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 826833802 IGYHXVBECNJRCP-BDAKNGLRSA-N 265.317 0.536 0 50 CCAA CC(=O)N1CCO[C@@H](C(=O)N2CCCc3ncccc32)C1 929690308 JDPRJFODQUWKJD-CQSZACIVSA-N 289.335 0.608 0 50 CCAA Cn1ccc([C@@H]2CCCN(CCn3cnnn3)C2)n1 932132504 KQIGMVGYYRYLFE-LLVKDONJSA-N 261.333 0.286 0 50 CCAA Cc1nn(C)c(C)c1CNc1ccc2nnnn2n1 111355703 CJSNTYILJVDIMV-UHFFFAOYSA-N 258.289 0.482 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1cc[nH]c(=N)c1 643878258 NNJXNKIXBIPQNR-ZDUSSCGKSA-N 265.313 0.560 0 50 CCAA COC(=O)C1(NC(=O)C[C@@H]2CO[C@H](CN)C2)CCCC1 2325780228 QTUZFQSXWPKFSM-MNOVXSKESA-N 284.356 0.342 0 50 CCAA O[C@H]1CCCOC12CN(c1ncnc3n[nH]cc13)C2 2325789808 OOIKYPXPFMEJNH-VIFPVBQESA-N 261.285 0.083 0 50 CCAA C[C@@H]1[C@@H](C(=O)NOCc2ccccc2)[C@@H](O)C(=O)N1C 2325799413 VXCXYMGIBAEJED-YUSALJHKSA-N 278.308 0.072 0 50 CCAA N=c1[nH]c(=NC[C@]2(O)C[C@H](C(=O)O)C2)[nH]c2ccccc12 2325848325 DJJWXLKNAJYKEJ-PWRNUNNXSA-N 288.307 0.102 0 50 CCAA COCCNS(=O)(=O)c1cc(OC)ccc1OC 2602232 VBSWBNNMDOBOFL-UHFFFAOYSA-N 275.326 0.629 0 50 CCAA CCn1cc(S(=O)(=O)Nc2ncccn2)cn1 6698615 UPFTWQAEYAWTLV-UHFFFAOYSA-N 253.287 0.494 0 50 CCAA CN(C)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 9363981 LERIUWIPLNUUNS-UHFFFAOYSA-N 256.327 0.639 0 50 CCAA CCCn1cnnc1CNC(=O)CCN1CCCCO1 55284108 LKZVFMQGFCYKRB-UHFFFAOYSA-N 281.360 0.722 0 50 CCAA CN1CCC[C@H](CNC(=O)CN2CCCC2=O)C1 108343488 NPBJXXOBHPZNLU-LLVKDONJSA-N 253.346 0.067 0 50 CCAA COc1ccc(C[C@@H]2NC(=O)[C@@H](C(C)C)NC2=O)cc1 214658781 ZNNNVLXVVQMUMB-QWHCGFSZSA-N 276.336 0.877 0 50 CCAA CCCN1CCN(CCn2ccnc2C)C[C@@H](C(=O)O)C1 217095862 NYXXUWUJGYFSTC-AWEZNQCLSA-N 294.399 0.920 0 50 CCAA NC(=O)NCC(=O)N[C@H]1CCCN(CC2CCCCC2)C1 72469803 MPEDSLZHMPECEB-ZDUSSCGKSA-N 296.415 0.816 0 50 CCAA O=C(N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)C1(O)CCCC1 329814349 DCWXDFBBMNDQSN-YNEHKIRRSA-N 283.368 0.680 0 50 CCAA O=c1ccccn1CCOCCn1ccccc1=O 71772820 XZKZITJCDMQZLT-UHFFFAOYSA-N 260.293 0.727 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc[nH]2)N(C)C1 284607407 AVPVLNGRKARUMS-QWRGUYRKSA-N 251.330 0.806 0 50 CCAA CCC[C@@H]1CN(C(=O)c2cc(O)n[nH]2)C[C@H]1NC(C)=O 82160729 IINHHJXRFGYIGH-MWLCHTKSSA-N 280.328 0.492 0 50 CCAA CCc1nsc(N(C)C[C@H](C)c2nnn[nH]2)n1 132925941 AQWZLYIWECYLBK-LURJTMIESA-N 253.335 0.854 0 50 CCAA Cc1ccc(-n2cc(C(=O)N3CC[C@@H](CN)C3)nn2)cc1 178529006 HRWWPXNNSVAZJT-LBPRGKRZSA-N 285.351 0.997 0 50 CCAA COCCN(C)C[C@@H]1CN(c2ccc(F)cn2)C[C@@H]1CO 91319998 IHCMIRBTJQKHKX-CHWSQXEVSA-N 297.374 0.844 0 50 CCAA O=C(CCc1ccncc1)NCCN1CCCC[C@@H]1CO 97394422 IDHXFGFKBDBTMH-OAHLLOKOSA-N 291.395 0.977 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)N1CC[C@@H](CO)C1 426596507 NWLKRLSOOPSROD-LLVKDONJSA-N 266.345 0.593 0 50 CCAA CCc1noc(CCNC(=O)[C@@]2(C)CCCO2)n1 426635259 FNVZVSHWAKMDEU-GFCCVEGCSA-N 253.302 0.860 0 50 CCAA Cc1ccc([C@H]2CN(C(=O)c3nccn3C)C[C@@H]2N)o1 91931738 FFGJBURUTWQYIN-QWRGUYRKSA-N 274.324 0.888 0 50 CCAA NC(=O)C1CCN(CCc2nc([C@@H]3CCOC3)no2)CC1 96150459 OODJOMSBEXWFBN-LLVKDONJSA-N 294.355 0.313 0 50 CCAA CC(=O)SCCC(=O)N1C(=O)CC[C@H]1C(=O)O 95918252 RQNPDMKYEASLON-ZETCQYMHSA-N 259.283 0.258 0 50 CCAA O=C(O)C[C@@H](NC(=O)[C@H]1COCCO1)c1cccs1 299749382 KDHDXRHEZNNMIA-RKDXNWHRSA-N 285.321 0.796 0 50 CCAA Cc1csc(CCN[C@@H](C)CN(C)CCO)n1 534669311 UOPMNRJWFMWIJP-JTQLQIEISA-N 257.403 0.896 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)CCN1CCCCCC1=O 534581904 FRDSZTIBDCKWCZ-LLVKDONJSA-N 282.340 0.855 0 50 CCAA Cn1ccnc1CCNc1cc([C@@H]2CCOC2)nc(N)n1 299788816 XTZODSDZFLORHT-SNVBAGLBSA-N 288.355 0.951 0 50 CCAA COC(=O)[C@H]1CNCC(=O)N1Cc1ccc(Cl)cc1 299803918 KWTSRYWIMDCTGW-LLVKDONJSA-N 282.727 0.813 0 50 CCAA Cc1cccc([C@@H](NC(=O)CNS(C)(=O)=O)C2CC2)n1 584893948 CTNQEZOXHMIOHL-ZDUSSCGKSA-N 297.380 0.507 0 50 CCAA CCc1nnc(CN(C)CC[C@@H]2CCS(=O)(=O)C2)o1 670451562 KRELIEGYUPFATN-SNVBAGLBSA-N 287.385 0.889 0 50 CCAA CC1(C)NC(=O)O[C@@]12CCN(C(=O)[C@@H]1CCO1)C2 1875302090 ZLFJVKNYRMBBFN-QPUJVOFHSA-N 254.286 0.265 0 50 CCAA COCCNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875392492 FNMZLYIFBLIUBZ-JGVFFNPUSA-N 253.302 0.808 0 50 CCAA CO[C@@H]1C[C@H](CNc2cnccn2)N(c2ccncn2)C1 952887351 OVMBTULPSJVLCK-VXGBXAGGSA-N 286.339 0.972 0 50 CCAA COc1cc2c(nn1)CCN(Cc1cnsn1)C2 952886656 DEYTUOPMXOKUSB-UHFFFAOYSA-N 263.326 0.895 0 50 CCAA CNC(=O)NC1CCN(c2nc(C)ns2)CC1 894215771 YBBXCOZBAFLRBG-UHFFFAOYSA-N 255.347 0.744 0 50 CCAA C[C@@H]1CC[C@@H](C(N)=O)CN1c1cc(=O)n2ccccc2n1 170604139 DRMRZFVMXHDWSU-GHMZBOCLSA-N 286.335 0.785 0 50 CCAA CC(C)c1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)no1 659171586 CWJINXJYXPIPDZ-XCBNKYQSSA-N 268.269 0.770 0 50 CCAA Cc1cc(C(=O)Nc2nnc(CCN(C)C)s2)n(C)n1 1529120044 RETVSBRDHWELEL-UHFFFAOYSA-N 294.384 0.936 0 50 CCAA Cc1nscc1NS(=O)(=O)c1cnnn1C 1875280936 HKYKMIBJMHIKCD-UHFFFAOYSA-N 259.316 0.381 0 50 CCAA Cn1nc(NC(=O)[C@@H]2COCCO2)cc1C(F)(F)F 1615615617 RSMXZHBOIWHUTB-LURJTMIESA-N 279.218 0.793 0 50 CCAA Cc1nnsc1C(=O)N[C@@H]1CCN(CC(F)F)C1 1615546875 FDSZTYCSXNZOBI-SSDOTTSWSA-N 276.312 0.916 0 50 CCAA Cc1cc(C(=O)NC[C@H]2Cc3nnc(C)n3C2)no1 1772707308 UZVNVSJJGKENOY-SECBINFHSA-N 261.285 0.485 0 50 CCAA O=C(O)[C@H]1COCCN(C(=O)c2ccc3c(c2)CCO3)C1 1857706373 HMMGVHCJTNYFQA-GFCCVEGCSA-N 291.303 0.795 0 50 CCAA Cc1ccc(N)cc1S(=O)(=O)N1CCOCC1 3885370 ZDEUKHHQBDSQPP-UHFFFAOYSA-N 256.327 0.598 0 50 CCAA in-vitro CC(C)(C)OC(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 6882774 JABSORAZQPYNMZ-VIFPVBQESA-N 286.328 0.977 0 50 CCAA in-vitro COC(=O)CC[C@@H](NC(=O)c1ccc(N)cc1)C(=O)OC 9207363 KTNFJPQFZZYFPU-LLVKDONJSA-N 294.307 0.493 0 50 CCAA O[C@@]1(Cn2ccnn2)CCN(CCc2ccccc2)C1 671492068 MRCMBCUKZLUSNX-HNNXBMFYSA-N 272.352 0.958 0 50 CCAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1CC=C(C)C 818134394 JGLXWWVKWLZULO-NSHDSACASA-N 263.345 0.483 0 50 CCAA O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 308592 VAIIMHTTXBBGHH-JTQLQIEISA-N 299.348 0.915 0 50 CCAA CCc1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)n(C)n1 129442525 YSVLCPHJCOJKFW-JTQLQIEISA-N 281.312 0.298 0 50 CCAA C[C@@H]1CN(c2cc(N(C)C)ncn2)C[C@H]1C(=O)O 900965309 MVWVITZJHWAHPK-RKDXNWHRSA-N 250.302 0.700 0 50 CCAA O=S1(=O)CC[C@H]2CN(Cc3nnsc3Cl)C[C@H]21 934366140 DPMKSLUYNJKTQU-POYBYMJQSA-N 293.801 0.810 0 50 CCAA CCn1c(=O)n(CC)c2cc(S(N)(=O)=O)c(C)cc21 1064216 SEEWHTSAZANOJT-UHFFFAOYSA-N 283.353 0.799 0 50 CCAA CC1(CNC(=O)[C@]23CNC[C@H]2COC3)CC(F)(F)C1 1552283151 IKVLQUHSTIVWDP-CABZTGNLSA-N 274.311 0.774 0 50 CCAA Cc1cc(F)c2c(c1)N[C@@H](C(=O)NCC1(O)CC(N)C1)C2 2325801705 SKTVMCUDDBHZMQ-KWCGZIOASA-N 293.342 0.439 0 50 CCAA C/C=C/C1=C(Cl)[C@H](O)[C@@H](O)[C@@]1(Cl)C(=O)OC 2332922385 ZRPNJWJXWPDDRB-KUDSMWMHSA-N 267.108 0.941 0 50 CCAA CN1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 275382 GTJAJCVRIVTFGC-UHFFFAOYSA-N 284.337 0.321 0 50 CCAA Nc1cc(N)nc(SCC(=O)Nc2ccccn2)n1 468973 DHJDLODYMAHRNO-UHFFFAOYSA-N 276.325 0.767 0 50 CCAA CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)O1 3860330 KEJGAYKWRDILTF-SOYHJAILSA-N 260.286 0.375 0 50 CCAA biogenic CCS(=O)(=O)N1CCN(C(=O)Cc2ccccc2)CC1 4688962 DPPZHKKWXGVQPN-UHFFFAOYSA-N 296.392 0.723 0 50 CCAA C[C@@H]1C[C@H](N2CCCC[C@H]2Cn2cncn2)C(=O)O1 247841289 QBOLTWQRSNWQDA-WOPDTQHZSA-N 264.329 0.837 0 50 CCAA Cc1cc(C(=O)NCCOc2nonc2C)nc(C)n1 65469956 LMWXEEYBULQECE-UHFFFAOYSA-N 277.284 0.594 0 50 CCAA CC(C)NS(=O)(=O)CCNCc1cccnc1 66324223 RIAZOZWXBKUYEG-UHFFFAOYSA-N 257.359 0.499 0 50 CCAA FC(F)(F)c1noc(CN2CCCNCC2)n1 138264342 ALJLLDDMUGEFNZ-UHFFFAOYSA-N 250.224 0.884 0 50 CCAA CCCN1C[C@@H](NC(=O)c2nnc3n2CCCC3)CC1=O 67604655 RSHVZDVSWZVORA-JTQLQIEISA-N 291.355 0.355 0 50 CCAA C[C@H](CN(C)CCO)NCc1ccc(C(=O)O)cc1 1506414171 PBOVRJNTJLSMFH-LLVKDONJSA-N 266.341 0.787 0 50 CCAA CN(CC(=O)N1CCOCC1)Cc1cccc2nonc12 328596254 ZEHRCSZLRCKYAP-UHFFFAOYSA-N 290.323 0.513 0 50 CCAA CC(C)NC(=O)CCN1CCO[C@H](C)[C@H]1C(=N)O 330548017 CYUGJNDMFPABKE-KOLCDFICSA-N 257.334 0.526 0 50 CCAA Cc1c[nH]nc1C(=O)N1CCOC[C@@H]1CC(=O)O 257653162 CDMPUNKLVOWOMT-QMMMGPOBSA-N 253.258 0.034 0 50 CCAA CC[C@H]1COCCN1C(=O)c1[nH]nc2c1CN(C)CC2 77521137 KJLPZHAWJNQWEH-JTQLQIEISA-N 278.356 0.649 0 50 CCAA Cc1cc(N[C@H]2CCc3nnnn3CC2)nc(C)n1 333841818 LIOXNBITOBJFLM-JTQLQIEISA-N 259.317 0.897 0 50 CCAA COC(=O)CC(=O)c1cnc(N2CCOCC2)nc1C 72226303 IDGDQLJVINUTDN-UHFFFAOYSA-N 279.296 0.367 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[C@H](C(=O)O)C1 261899810 UYAAWOHFAGTJQT-GARJFASQSA-N 271.313 0.504 0 50 CCAA O=C1CCCN1C[C@H](O)CN1CCOCC2(CCCC2)C1 372271229 AXCJOLNVXJTOSJ-CQSZACIVSA-N 296.411 0.862 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1c1nc(O)c2ccccc2n1 284594661 PFWYEFSPKLNWNM-XCBNKYQSSA-N 276.271 0.738 0 50 CCAA C[C@@](O)(CNC(=O)c1nccnc1N)c1ccco1 262387197 LNTFVAADBSHRKF-GFCCVEGCSA-N 262.269 0.289 0 50 CCAA C[C@@H](C(=O)NCCN1CCCC[C@H]1C)n1cncn1 242302304 YRGIZULIYCBQPC-NEPJUHHUSA-N 265.361 0.830 0 50 CCAA Fc1ccc(N2CC[C@@H](NCCN3CCNCC3)C2)cc1 426435362 IEIIRHKFVBAXFV-OAHLLOKOSA-N 292.402 0.899 0 50 CCAA COc1ccccc1[C@@H](O)CNC(=O)[C@H]1CCCN1 178029374 VYNHJQBRESJJGZ-NEPJUHHUSA-N 264.325 0.597 0 50 CCAA Cc1nc(NCCOCCO)cc([C@@H]2CCOC2)n1 426424423 XLGOKVGYTSANCH-LLVKDONJSA-N 267.329 0.710 0 50 CCAA Cc1c(NC(=O)NC[C@@H]2CCCN2)cccc1C(N)=O 426529489 VSGMSGYSHFKSLW-JTQLQIEISA-N 276.340 0.967 0 50 CCAA CC(C)(C(=O)NCCn1ccnn1)N1CCCC1 426526083 KTIBMFGYUMUGMN-UHFFFAOYSA-N 251.334 0.269 0 50 CCAA CC[C@@H](O)Cn1ncnc1-c1ccc(OCC(N)=O)cc1 96152798 RRVKMTSPHQFUAK-LLVKDONJSA-N 290.323 0.580 0 50 CCAA CC(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 95390324 BXUAQUBPQXFTAQ-GFCCVEGCSA-N 288.355 0.786 0 50 CCAA CCn1cnnc1CCNc1cc([C@H]2C[C@@H](N)C2)ncn1 244708347 KRZKKRZANXXZIK-PHIMTYICSA-N 287.371 0.947 0 50 CCAA Cc1cnc(C)c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 298203278 MXAJNUNXUOWANI-ZDUSSCGKSA-N 290.367 0.921 0 50 CCAA C[C@H](OC[C@H]1CCCCO1)C(=O)NC(C)(C)C(=O)O 299750394 NIUCZOYVZPBPQF-VHSXEESVSA-N 273.329 0.940 0 50 CCAA CC(=O)NCCCC(=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 534585995 KBOJWAUHJVPCQG-MPZDIEGVSA-N 265.357 0.112 0 50 CCAA Cc1[nH]nc(CCC(=O)NCCc2nc(N)n[nH]2)c1C 534641476 GYGXUOZOJIGHMX-UHFFFAOYSA-N 277.332 0.018 0 50 CCAA O=C(NC[C@]1(O)CCCNC1)Nc1ccc2[nH]ncc2c1 299797709 OSWKQEFFPOFKGZ-AWEZNQCLSA-N 289.339 0.799 0 50 CCAA O=C(NC[C@@H]1CCC2(CCNCC2)O1)c1cnccn1 299758363 LZXFHPXBTFTLGG-NSHDSACASA-N 276.340 0.508 0 50 CCAA CN(C)C[C@@H]1COCCN(S(=O)(=O)c2cccnc2)C1 823690050 KJVRHVKUAUMGRW-LBPRGKRZSA-N 299.396 0.280 0 50 CCAA Cc1nc([C@@H](C)NC(=O)CCn2c(C)cccc2=O)n[nH]1 670453147 ZUAXUAHMSWJKKO-SNVBAGLBSA-N 289.339 0.851 0 50 CCAA O=C(N1CCOCC1)N1CCC(N[C@H]2CCOC2)CC1 670435718 JSVOTFUMERNFEJ-ZDUSSCGKSA-N 283.372 0.282 0 50 CCAA Cn1cc(N2C[C@@H](NC(=O)c3ccsn3)CC2=O)cn1 1875285976 IXUVQWNXQZLXTB-QMMMGPOBSA-N 291.336 0.412 0 50 CCAA O=c1ccn(C2CC2)c(=O)n1Cc1nc(C(F)F)no1 1875281234 XAWBTVXSZYFOTD-UHFFFAOYSA-N 284.222 0.714 0 50 CCAA O=C(c1cccc(F)c1O)N1CC[C@H](Cc2nn[nH]n2)C1 1875286081 LRRAYYWIYVLYCM-MRVPVSSYSA-N 291.286 0.749 0 50 CCAA O=C(Nc1cnc(N2CCNCC2)nc1)[C@H]1CC=CCO1 1875276709 RXFYSQZFLSIMBN-GFCCVEGCSA-N 289.339 0.170 0 50 CCAA CC(C)[C@@H](N)C(=O)NC[C@]1(C)CN(C(C)C)C1=O 1875369047 NWOLSCMFTAHNJX-ZWNOBZJWSA-N 255.362 0.343 0 50 CCAA CCNC(=O)[C@H]1CCN(C(=O)CCc2ccnn2C)C1 952968598 NJLXJFSMCLJPLR-NSHDSACASA-N 278.356 0.337 0 50 CCAA CC(C)CN1C[C@@H](C(=O)N[C@@H]2CN(C)CC2(C)C)CC1=O 1413642773 RESGFQMUXZBTIS-QWHCGFSZSA-N 295.427 0.947 0 50 CCAA CCOCCN1CCN([C@H]2CCOC2=O)C[C@@H]1C 247058312 FTFZIBPSBUTFNC-RYUDHWBXSA-N 256.346 0.345 0 50 CCAA C[C@H](NC(=O)c1cncc(O)c1)C(=O)N1CCCC1 134664149 AZXFDVJPGXCKEK-VIFPVBQESA-N 263.297 0.528 0 50 CCAA C[C@@H](C(=O)NCc1cccs1)N1C[C@@H](O)C[C@H]1CO 186486524 RGMVLDCTMIIDBH-DCAQKATOSA-N 284.381 0.180 0 50 CCAA CC[C@@H](CO)NC(=O)NCC(=O)N1CCCCC1 187403020 OBVAKLROVSOTJE-JTQLQIEISA-N 257.334 0.069 0 50 CCAA Cc1ccc2oc(N3C[C@@H](C(N)=O)[C@H](C(N)=O)C3)nc2c1 585117948 GABOLNDOYLUEDC-RKDXNWHRSA-N 288.307 0.159 0 50 CCAA CN(CC(F)(F)F)C(=O)N1CCC[C@@H]([C@@H](O)C(=O)O)C1 568258144 BCWIMTYTMOHNER-HTQZYQBOSA-N 298.261 0.758 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1nc[nH]c2nccc1-2 659150008 PZTLZLGVBDHCKC-MRVPVSSYSA-N 290.279 0.225 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@](O)(Cn2ccnn2)C1 793975418 LJCIBBNRBYQNRG-LBPRGKRZSA-N 268.317 0.650 0 50 CCAA Cc1ccc(C)c([C@@H](C(=O)O)N(C)CC(N)=O)c1 1506423244 UWICWZUNBWETAO-LBPRGKRZSA-N 250.298 0.846 0 50 CCAA CCc1nn(C)cc1C(=O)N1CCCCS1(=O)=O 814082129 RPNFQHCQCTZTRN-UHFFFAOYSA-N 271.342 0.548 0 50 CCAA Cn1nc2c(c1NC(=O)CCS(C)(=O)=O)CSC2 1529196738 GILZRLIXTCBGFI-UHFFFAOYSA-N 289.382 0.540 0 50 CCAA COCCOCCN1C[C@@H](O)[C@H](Cc2cc(C)no2)C1 1704335706 DLQSTSXGZKTGKD-TZMCWYRMSA-N 284.356 0.481 0 50 CCAA Cc1noc(=O)n1CC(=O)N(C)Cc1ccc(F)cc1 1875391346 OWNBDVAJBRILDM-UHFFFAOYSA-N 279.271 0.942 0 50 CCAA O=C(NCc1nc(=O)o[nH]1)[C@]1(c2ccccc2)CCCO1 1614998912 HVXVFUYNYIKELV-CQSZACIVSA-N 289.291 0.685 0 50 CCAA O=C(C[C@H]1CCCCO1)N1CC[C@@](F)(C(=O)O)C1 263250441 HDJYDMVJPQSFQP-SKDRFNHKSA-N 259.277 0.971 0 50 CCAA C[C@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)C(=O)O 594530524 ZJZNEDKRWSNEAE-BDAKNGLRSA-N 260.334 0.803 0 50 CCAA OC[C@@H](O)C1CCN(Cc2ccn3nccc3c2)CC1 1772712959 WQRNEUDHIWMWNZ-OAHLLOKOSA-N 275.352 0.900 0 50 CCAA CC(=O)N1CCC(N2C[C@H]3CCN(C)C(=O)[C@H]3C2)CC1 1772807244 SPRYBSMVFYNBRS-OCCSQVGLSA-N 279.384 0.407 0 50 CCAA O=C(CN1C[C@@H]2COC[C@]2(C(=O)O)C1)N1CCCCC1 1773077619 SUHVPMCGHXQCOA-BXUZGUMPSA-N 282.340 0.032 0 50 CCAA COc1ccc(OCC(=O)NCCN2CCOCC2)cc1 19854248 OIGTYLFCOJBCMH-UHFFFAOYSA-N 294.351 0.522 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2C[C@H]1C(=O)N2 1857677542 HENJCUIPXMMQNU-JQWIXIFHSA-N 276.340 0.069 0 50 CCAA C[C@@H]1CN2C[C@@H](NC(=O)Cc3ccccc3O)C[C@H]2CO1 1857736983 YEDQJRZIVJQZED-XBFCOCLRSA-N 290.363 0.913 0 50 CCAA CN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 2851234 BVYPPZOHRIEUEW-UHFFFAOYSA-N 279.296 0.032 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cnc(N(C)C)nc1 643763277 YSNOOMJUDDPKEB-AWEZNQCLSA-N 293.371 0.009 0 50 CCAA O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@H]1COc2ccccc21 548017440 CXBCQWTZYUXAFN-YPMHNXCESA-N 298.346 1.532 0 50 CCAA CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccoc1 262487320 FMSDAQRBTZFYPH-UHFFFAOYSA-N 294.307 0.675 0 50 CCAA C[C@](O)(CNC(=O)CCc1cccc(F)c1F)C(=O)O 262534410 QCFDGPDGNVBTSR-ZDUSSCGKSA-N 287.262 0.849 0 50 CCAA O=C(NC[C@H](O)c1ccc(F)cc1)[C@@]1(O)CCCNC1 852811788 KSRDGZDRVYZBAP-GXTWGEPZSA-N 282.315 0.090 0 50 CCAA O=C(NOCCN1CCCC1=O)[C@H]1CCCC12OCCO2 856044515 LJBTVIHJCFKWBH-LLVKDONJSA-N 298.339 0.200 0 50 CCAA C[C@]12CCC(=O)N1[C@H](C(=O)NC[C@H]1CCCO1)CS2 252444296 VBTYGRFYSXTRIB-NRUUGDAUSA-N 284.381 0.736 0 50 CCAA CN(C1(CO)CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 288856325 FPULBTNPAZJQSM-UHFFFAOYSA-N 299.348 0.603 0 50 CCAA CC[C@@H](NC(C)=O)C(=O)NCc1csc(N)n1 584887692 HXUAMHVWISQFLZ-MRVPVSSYSA-N 256.331 0.256 0 50 CCAA FC(F)(F)c1noc(CN2C[C@H]3CCN[C@H]3C2)n1 1565527903 XMHMRBHXEYEVTO-RQJHMYQMSA-N 262.235 0.882 0 50 CCAA O=S(=O)(c1ccc2c(c1)CCN2)N1CCOCC1 3888964 JZVUZORSHCTUTB-UHFFFAOYSA-N 268.338 0.676 0 50 CCAA CCN(CC(=O)NC)S(=O)(=O)c1ccc(OC)cc1 4856736 FKPLZJNKNBTUNQ-UHFFFAOYSA-N 286.353 0.452 0 50 CCAA O=C1CCCN1CCCNS(=O)(=O)c1ccccc1 6726443 SPQHTJNHINFADA-UHFFFAOYSA-N 282.365 0.977 0 50 CCAA COc1cnc(NC(=O)N[C@H]2CCN(C(C)C)C2=O)cn1 225851267 CHNVLJVSWPEMMZ-VIFPVBQESA-N 293.327 0.616 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)CC2(O)CCCCC2)C1 345003579 GXDFJWGIPRWDOO-QWRGUYRKSA-N 284.356 0.173 0 50 CCAA O=C(NCC(F)(F)F)c1cc(CN2CCOCC2)on1 23339973 QWBGOIJHPIGZEZ-UHFFFAOYSA-N 293.245 0.799 0 50 CCAA CS[C@@H](CO)[C@H](C)Nc1nccnc1C(=O)O 228448744 VVVMRJHFSVFNDD-BQBZGAKWSA-N 257.315 0.699 0 50 CCAA O=C(CN1CCOC1=O)NCCc1cccc(F)c1 20877807 SXCBHKGHGITSAL-UHFFFAOYSA-N 266.272 0.937 0 50 CCAA CCCC(=O)N1CSC[C@H]1C(=O)N(C)[C@@H]1CCN=C1O 328887207 OMDIGLXDUNKTSL-ZJUUUORDSA-N 299.396 0.875 0 50 CCAA C[C@@H](NC(=O)N(C)CCCN(C)C)c1nnnn1C1CC1 252497143 PZXLKWZVIBUKAX-SNVBAGLBSA-N 295.391 0.662 0 50 CCAA Cc1cc(C[C@H](C)NC(=O)c2c[nH]c(=O)cn2)[nH]n1 67955578 YESQPBUPSHTOFB-ZETCQYMHSA-N 261.285 0.162 0 50 CCAA Cc1cnn(C)c1CN1CCN(c2cnn(C)c2)C(=O)C1 377551289 WJPDENBKGZWOGP-UHFFFAOYSA-N 288.355 0.311 0 50 CCAA O=C1CCC(=O)N1CCCNc1ncc(F)cn1 253430400 WGRGWEIRWMCGDL-UHFFFAOYSA-N 252.249 0.567 0 50 CCAA CCN(c1ncc(Br)cn1)[C@H]1CCNC1=O 253419507 YVUWTPXURLPQSO-QMMMGPOBSA-N 285.145 0.954 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)Cc1cccnc1 128288872 RUGUNQITULNFHA-NSHDSACASA-N 264.281 0.326 0 50 CCAA COCCn1cnnc1CNC(=O)c1ccc(F)cc1O 219981118 GJBDDRYRBCBXPU-UHFFFAOYSA-N 294.286 0.699 0 50 CCAA Cn1cc(CC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cn1 361402931 BJBYRCJSELSCEX-GFCCVEGCSA-N 287.367 0.787 0 50 CCAA O=c1c2ccsc2ncn1C[C@@H]1COCCO1 32565476 QYYFRWAVAFBQCL-MRVPVSSYSA-N 252.295 0.873 0 50 CCAA C[C@H]1CC(=O)NCCN1C(=O)c1cnccc1N(C)C 363875562 MESWQDBRGQXXKT-JTQLQIEISA-N 276.340 0.498 0 50 CCAA COCCN1CCN(C(=O)c2cc(=O)c(OC)co2)CC1 330940173 DJDQNHDJKCZSRB-UHFFFAOYSA-N 296.323 0.053 0 50 CCAA C[C@@H]1[C@H](O)CCCN1C(=O)COc1cccnc1 331301560 FBDMADRKJTXJNY-ZYHUDNBSSA-N 250.298 0.832 0 50 CCAA CC1(C(=O)N2CCC(CS(C)(=O)=O)CC2)COC1 331979504 NYAXZNJDCVGZLT-UHFFFAOYSA-N 275.370 0.306 0 50 CCAA NC[C@H](NC(=O)C[C@@H]1COCCN1)C1CCCCC1 262242158 RPZXNJWHKWIYRK-OLZOCXBDSA-N 269.389 0.389 0 50 CCAA O=C(N[C@H]1CCNC1)c1cc(-c2ccncc2)on1 127776898 MIASKYYUJOUEIG-JTQLQIEISA-N 258.281 0.828 0 50 CCAA C[C@@H](NC(=O)[C@@H]1COCCN1)c1nc2ccccc2n1C 237366388 KHDKHLCFIDYLFV-PWSUYJOCSA-N 288.351 0.739 0 50 CCAA Cc1cnc(C(=O)N2CCC[C@](O)(CO)CC2)cn1 72155995 MDEGYDRFYXVKHJ-CYBMUJFWSA-N 265.313 0.135 0 50 CCAA C[C@@H]1CCCN(c2cc(NC[C@H](O)CO)ncn2)C1 133462810 HNJAKRQMXDAYSU-MNOVXSKESA-N 266.345 0.478 0 50 CCAA CC(C)c1nc(CN2C[C@@H]3NCCO[C@H]3C2)co1 426387146 UVXZMBCMUIWSLM-RYUDHWBXSA-N 251.330 0.971 0 50 CCAA COCc1cccc(C(=O)N[C@@H]2COCC[C@H]2OC)n1 222834611 RBTNZNCGKHZFRX-CHWSQXEVSA-N 280.324 0.762 0 50 CCAA Nc1cc(O)nc(CCNC(=O)C2Cc3ccccc3C2)n1 426530989 RWBZIFXNWXAHAK-UHFFFAOYSA-N 298.346 0.838 0 50 CCAA COc1ccc(OCCN2CCOCS2(=O)=O)cc1 91656720 KAMKRWSPBFYLSZ-UHFFFAOYSA-N 287.337 0.694 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)/C=C/CN(C)C 293849729 HNBZLJWCSGRBID-VUDGCMKMSA-N 281.400 0.867 0 50 CCAA Cc1cc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)no1 95371384 LVDJBZGDLKPEBP-LLVKDONJSA-N 294.355 0.009 0 50 CCAA Cn1c(N)nc2nc(-c3ccccc3)cnc2c1=O 252486142 HIAWMMISFQPNNS-UHFFFAOYSA-N 253.265 0.973 0 50 CCAA Cn1cc(S(=O)(=O)N[C@@H](c2nccn2C)C2CC2)cn1 534590786 WEBKBAAAYDIKJP-LLVKDONJSA-N 295.368 0.583 0 50 CCAA C[C@H](NC(=O)CCCn1cccn1)c1ncnn1C 355829645 NZQRTYFWASKWET-JTQLQIEISA-N 262.317 0.669 0 50 CCAA COCc1noc(CNC(=O)Cc2ncccc2C)n1 534588320 MSRBQPDENGKQOG-UHFFFAOYSA-N 276.296 0.778 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCO[C@H](C2CC2)C1 368888594 MMGKPWZXEXPYJW-JTQLQIEISA-N 261.343 0.059 0 50 CCAA CN(C)[C@@H]1C[C@H]2C(=O)Nc3cc(F)ccc3C(=O)N2C1 534580240 SNEIEZOFFQXBJC-SKDRFNHKSA-N 277.299 0.923 0 50 CCAA O=C(c1ccncc1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299777932 NZGQBLBGSIFINU-STQMWFEESA-N 285.307 0.659 0 50 CCAA CCN1CCC2(CCCN(C[C@H](O)CO)C2)CC1 828655350 SWDQKHVMPLVBTM-ZDUSSCGKSA-N 256.390 0.538 0 50 CCAA CC(C)N(C)S(=O)(=O)NC1(C(N)=O)CCCCC1 821724432 IIEGVZSJSFUVQP-UHFFFAOYSA-N 277.390 0.349 0 50 CCAA CC(C)N1CC[C@@H](CN(C)CC(=O)N2CCOCC2)C1 823676261 PUKKQPGTURGMTL-AWEZNQCLSA-N 283.416 0.507 0 50 CCAA Cc1cc(C)n(CCC(=O)N2CCN3C(=O)OC[C@@H]3C2)n1 670442347 ZPUAAOHLHKGTGH-LBPRGKRZSA-N 292.339 0.553 0 50 CCAA CC1(C)CC(CC(=O)N2CC[C@H](O)[C@H](O)C2)CC(C)(C)N1 670452729 HRGZYESVRXAZHE-QWHCGFSZSA-N 298.427 0.887 0 50 CCAA CCN(C)C(=O)Cn1nnnc1N1CCC[C@@H](C)[C@H]1C 685945073 RYYFAZGDSGNHCC-GHMZBOCLSA-N 280.376 0.776 0 50 CCAA Cc1c(C(=O)N[C@H]2CC(=O)NC2=O)cnn1CCC(C)C 1875295564 JURPFZHRNQOYOE-NSHDSACASA-N 292.339 0.383 0 50 CCAA C[C@]1(C(=O)O)CCCN(C(=O)[C@H](C(=O)O)C2CC2)C1 1875358420 VOTHEJASLIGLBB-RNCFNFMXSA-N 269.297 0.811 0 50 CCAA O=C(NCCc1cnccn1)c1ccc2c(c1)C(=O)NC2 1875308253 WMFDJDVEOBHQLB-UHFFFAOYSA-N 282.303 0.693 0 50 CCAA CC(C)(C)n1nccc1[C@@H](N)C1(O)CCNCC1 958528430 RUJZVIHDOFYIJO-LLVKDONJSA-N 252.362 0.752 0 50 CCAA O=C(NCCOCCO)C1(N2CCCC2)CCCC1 952972487 SRAMDNAVNJJKGI-UHFFFAOYSA-N 270.373 0.520 0 50 CCAA O=C(c1cn2ccsc2n1)N1C[C@@H](O)[C@H](F)C1 952983158 RUQWFFMGZXXSIV-HTRCEHHLSA-N 255.274 0.551 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1N 170677742 RFJHFISUQFAGCV-IMIFBBOLSA-N 279.384 0.441 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)CC1(O)CCCCC1 889193917 CUQSSHQQCFPVNW-VXGBXAGGSA-N 271.357 0.992 0 50 CCAA CN1C[C@@H]2CCN(C(=O)NCc3ccccn3)[C@H]2C1 891427483 SWGOHNVNQCJHKF-AAEUAGOBSA-N 260.341 0.927 0 50 CCAA C1C[C@H](N2CCOCC2)CCN([C@@H]2CCOC2)C1 408522769 DDMJGNVFLIKMMP-UONOGXRCSA-N 254.374 0.962 0 50 CCAA O=C(CN1CCSC1=O)N[C@@H]1CCN2CCCC[C@H]12 225173254 SMCHGFZGKWDNBT-GHMZBOCLSA-N 283.397 0.898 0 50 CCAA COC(=O)[C@H]1C[C@H](O)CN1Cc1nc2c(F)cccc2[nH]1 188604685 BUGWQRSRCXVFGP-GZMMTYOYSA-N 293.298 0.810 0 50 CCAA CC1(C)[C@H](NCc2c[nH]c(=N)[nH]c2=N)[C@@H]2CCCO[C@H]21 638703588 IUPCKGULZNDEOI-HBNTYKKESA-N 277.372 0.595 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)CCC(F)(F)F 643941763 NTUMDOLMEQXDRM-SNVBAGLBSA-N 282.262 0.822 0 50 CCAA CC(C)(C)CN1CCC[C@H](N2CCOC[C@H]2CO)C1=O 585094525 YLMOLZWJUBYILE-OLZOCXBDSA-N 284.400 0.717 0 50 CCAA CCC(=O)NS(=O)(=O)c1cccc(C(=O)OC)c1 796665815 JRERKZYCNLIBMB-UHFFFAOYSA-N 271.294 0.688 0 50 CCAA CCCn1cnc(C(N)=O)c1NC(=O)c1cc(C)n(C)n1 1529125064 HNFKGJDOWXIWPQ-UHFFFAOYSA-N 290.327 0.686 0 50 CCAA CC(C)Cc1cc(C(=O)NC[C@H]2CCNC[C@@H]2O)n(C)n1 215089392 OKWPDFGUSXJQPQ-RISCZKNCSA-N 294.399 0.319 0 50 CCAA C[C@H](Cn1cncn1)Nc1ncc(F)c(N(C)C)n1 1704331804 UZOYTQZWSPWCLO-MRVPVSSYSA-N 265.296 0.774 0 50 CCAA CCC[C@@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)CO)CC1 1616098092 NVSUAWHNUKUVIF-OLZOCXBDSA-N 282.384 0.770 0 50 CCAA Cc1cc(=O)cc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)o1 1857719581 OZJZGPREJJWFGL-NEPJUHHUSA-N 292.335 0.351 0 50 CCAA OCC1(Cn2ccnc2[C@@H]2[C@H]3CNC[C@H]32)CCOCC1 1857729394 YSOQRTNUNRAYOK-ITGUQSILSA-N 277.368 0.605 0 50 CCAA COc1ncc(NC(=O)C2CCNCC2)cc1C(N)=O 237183556 YKRDVMTTYZTWPT-UHFFFAOYSA-N 278.312 0.127 0 50 CCAA CNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2O)C1 355562304 ZCIYMNGDSTWXKR-YNEHKIRRSA-N 282.384 0.912 0 50 CCAA Cn1nccc1[C@H](CO)NC(=O)C1Cc2ccccc2C1 909903887 NWSRSVUZRFXVPL-AWEZNQCLSA-N 285.347 0.985 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CCOC[C@H]1c1nn[nH]n1 913493443 VIBBCUIGLKLIRA-VIFPVBQESA-N 296.718 0.405 0 50 CCAA Cc1cnn(CCC(=O)N[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)c1 923203331 BLKYXJWRLJZBQE-WHOHXGKFSA-N 277.324 0.807 0 50 CCAA NCCn1cc(C(=O)NCCCC2CCCC2)nn1 225330050 CLFZIEWLHWQAKM-UHFFFAOYSA-N 265.361 0.937 0 50 CCAA C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C(=O)O)cc1 228816006 ZFSJJQLXMVGEMQ-VIFPVBQESA-N 297.332 0.644 0 50 CCAA NC(=O)C1(O)CCN(C(=O)CC2=CCCCC2)CC1 389360432 CFRDAVVFCXCLNU-UHFFFAOYSA-N 266.341 0.716 0 50 CCAA C[C@H]1[C@H](NC(=O)N[C@@H]2CCN(CC(C)(C)O)C2)CCN1C 2325763149 IYHZQMOEFKKGAJ-YNEHKIRRSA-N 298.431 0.223 0 50 CCAA O=C(NCc1nnc2ccccn12)c1cnc2ccnn2c1 2325842622 CORXBXPHFQQAOM-UHFFFAOYSA-N 293.290 0.702 0 50 CCAA CCOC(=O)C(NC(=O)c1ccccc1)C(=O)OCC 1555278 NMSZTQWZINJIMY-UHFFFAOYSA-N 279.292 0.911 0 50 CCAA CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC 2520834 RWGHWEKGZZDCNP-UHFFFAOYSA-N 280.328 0.633 0 50 CCAA CSc1ncnc(=Nc2ccc(C(=O)N(C)C)cn2)[nH]1 2356162138 ZLJQJNUGQMGKBE-UHFFFAOYSA-N 290.352 0.856 0 50 CCAA CCn1nc(CC(N)=O)nc1-c1ccc2ccn(C)c2n1 2356163179 RDSXYWURWDCSFR-UHFFFAOYSA-N 284.323 0.880 0 50 CCAA N=c1[nH][nH]c(=N[C@@H]2COC[C@H]2Cc2ccncc2)s1 2356168746 DMXWIKZSADLXNR-NXEZZACHSA-N 277.353 0.437 0 50 CCAA C[C@H](C(=O)O)N1C(=O)c2ccccc2S1(=O)=O 4985873 QXJJZZQKDCRNJJ-ZCFIWIBFSA-N 255.251 0.304 0 50 CCAA COc1nccnc1N(C)C[C@@H](C)N1CCOCC1 1506402816 PRVDGVUQOQXSDT-LLVKDONJSA-N 266.345 0.642 0 50 CCAA C[C@@H]1CN(CC(=O)Nc2ccccc2C(N)=O)C[C@@H](C)O1 20572479 AFTBPQMZJVCHNZ-GHMZBOCLSA-N 291.351 0.833 0 50 CCAA C[C@@H]1CCCN1CC(=O)Nc1ccn([C@@H]2CCNC2)n1 328645298 ZNZCWHORRMNVQG-VXGBXAGGSA-N 277.372 0.840 0 50 CCAA CC(C)CN1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 67774139 KSXWXFMMAWJVTR-LBPRGKRZSA-N 280.376 0.157 0 50 CCAA Cc1nc([C@H](C)NC(=O)CN2C[C@H](C)O[C@H](C)C2)n[nH]1 67723887 FPMMAMBVVJXLQN-AEJSXWLSSA-N 281.360 0.400 0 50 CCAA CN(C)Cc1nnc(C(=O)N2CCC[C@H](C(C)(C)O)C2)o1 71416252 PWDJCSBRYGXQBY-JTQLQIEISA-N 296.371 0.754 0 50 CCAA N=c1nc(-n2cccn2)cc(N2CCCC[C@H](CO)C2)[nH]1 362358482 FMRQJJDBOIKESB-NSHDSACASA-N 288.355 0.674 0 50 CCAA COCCOc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2)cc1 237143448 QWQOLUOOQKQVDP-OCCSQVGLSA-N 294.351 0.051 0 50 CCAA C[C@H]1CN(C(=O)C2C[C@@H]3CCC[C@H](C2)C3N)C[C@@H]1N 333500643 DHVZFINQINOGFZ-JFCZXUJCSA-N 265.401 0.946 0 50 CCAA Cc1nc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)n(C)n1 333865566 SREHRXDJNKQODU-GZMMTYOYSA-N 263.345 0.336 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCNC(=O)CC1 335788890 BFBBBNPZJKKFBV-QWRGUYRKSA-N 254.330 0.540 0 50 CCAA CCc1ccc(CN(C)C(=O)c2c[nH]c(=O)[nH]c2=O)nc1 215206872 CBXWVASDAWIUOR-UHFFFAOYSA-N 288.307 0.293 0 50 CCAA O=S(=O)(C1COC1)N1CC[C@H](n2cc(Cl)cn2)C1 289872369 LXPSHPPNLDYORQ-VIFPVBQESA-N 291.760 0.512 0 50 CCAA Cn1ncnc1CCN1CC2(CCNCC2)CCC1=O 91536453 BABHRZMRIFEWOB-UHFFFAOYSA-N 277.372 0.350 0 50 CCAA C[C@H]1CCC[C@@H](C)N1CC(=O)NCc1nc(O)n[nH]1 426407500 GVJNANCXGHNRID-DTORHVGOSA-N 267.333 0.389 0 50 CCAA CCCn1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)c(C)n1 91747034 NFQUFBFXDWXCHR-JTQLQIEISA-N 283.353 0.642 0 50 CCAA Cc1ccc2nc(COCC(=O)NCCN)[nH]c2c1 96160052 NCGSTDMAVGIFSF-UHFFFAOYSA-N 262.313 0.463 0 50 CCAA O=C(NS(=O)(=O)C[C@@H]1CCCO1)C1CCCC1 180212700 SAUTWUGUHNOQIM-JTQLQIEISA-N 261.343 0.802 0 50 CCAA CCN1C(=O)[C@@H]2[C@H]3C[C@H]4[C@H](O[C@]1(C(C)C)[C@H]42)[C@@H]3O 238900858 KLDJVKPOYBMPEF-PCDINJRFSA-N 251.326 0.843 0 50 CCAA O=C(CCn1cnnn1)Nc1nnc(C2CCC2)s1 524732425 BXEYAQQXNSEOEI-UHFFFAOYSA-N 279.329 0.821 0 50 CCAA O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)[C@@H]1CCCN1 248095134 XFIBXKXZLWBKJH-DCAQKATOSA-N 254.330 0.746 0 50 CCAA biogenic Cn1c(NCC2CCSCC2)cc(=O)n(C)c1=O 521395255 JXWBCXSCBGPIFL-UHFFFAOYSA-N 269.370 0.639 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@H]2C3C=CC(C=C3)[C@H]21 257356424 HWOQDVZSTNSDCO-IDYQCZDNSA-N 269.304 0.619 0 50 CCAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)C(C)C)c1O 253623908 SLCAGTSNAWIKAM-ZETCQYMHSA-N 282.296 0.894 0 50 CCAA biogenic CC1(C)SC[C@H](C(=O)NCc2cc[nH]n2)NC1=O 534670160 UOIWXHMMYVCFMS-MRVPVSSYSA-N 268.342 0.036 0 50 CCAA COC(=O)c1cc(O)cc(C(=O)N2CC[C@H](N)C2)c1 534576780 FCKHOTPZKXULTL-JTQLQIEISA-N 264.281 0.352 0 50 CCAA CC(C)[C@@H](NC(=O)CCn1cnnn1)c1nccn1C 534634139 ZWOOIIUYGKWYJW-LLVKDONJSA-N 277.332 0.310 0 50 CCAA Cc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](N(C)C)C1 632350058 UGUJOEQKINJKLM-RYUDHWBXSA-N 284.381 0.290 0 50 CCAA Cc1nn(CCNC(=O)CCCn2cnnn2)c(C)c1C 299763280 ZNNFAVHGJZHORA-UHFFFAOYSA-N 291.359 0.391 0 50 CCAA COCCN(CC(=O)O)c1cc([C@@H]2CCOC2)ncn1 299796925 OARPZWWQQYYKKW-SNVBAGLBSA-N 281.312 0.518 0 50 CCAA O=C(CN1CCCCCC1=O)NCc1n[nH]c2c1CCC2 299761288 UQUSNSXQXSEISM-UHFFFAOYSA-N 290.367 0.917 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)c1c[nH]c(=O)cn1 584900864 DJKBBOVHKHHJGW-VIFPVBQESA-N 261.285 0.175 0 50 CCAA O=C(C1CCC1)N1CCC(c2ncnn2CCO)CC1 828778482 RBWPGFMSKHPHFH-UHFFFAOYSA-N 278.356 0.777 0 50 CCAA Cn1ccnc1C1(O)CCN(c2ncc(F)cn2)CC1 1548442277 GNKVOAZWGHHMJI-UHFFFAOYSA-N 277.303 0.837 0 50 CCAA O=C(Cc1cnns1)N[C@@H]1CCOC[C@H]1N1CCCC1 1875397018 HVVOQEUSDDMQSJ-VXGBXAGGSA-N 296.396 0.450 0 50 CCAA COC[C@H](NC(=O)c1cccc(C)c1C)c1nn[nH]n1 952882762 OVFZQCGBLWRMOC-NSHDSACASA-N 275.312 0.934 0 50 CCAA COCc1cc(C2CN(C(=O)[C@H]3CCCN3C)C2)no1 886085763 OELKUPGGLJFQTE-CYBMUJFWSA-N 279.340 0.841 0 50 CCAA Cc1nccnc1N1CCC[C@](O)(Cc2nncn2C)C1 886065798 VAISJMXEIJIELF-AWEZNQCLSA-N 288.355 0.488 0 50 CCAA O=C1C[C@@H](NCCS(=O)(=O)c2ccc(F)cc2)CN1 1775994493 VLQSZTNEXASYGH-SNVBAGLBSA-N 286.328 0.078 0 50 CCAA CC(=O)N1CCN(c2n[nH]c(C(C)(C)C)n2)CC1 1775984732 WLQBVLVYTJBHLJ-UHFFFAOYSA-N 251.334 0.771 0 50 CCAA O[C@H](Cn1cc2ccncc2n1)C1(O)CCOCC1 899879117 BFEDXBHVTJOROC-GFCCVEGCSA-N 263.297 0.334 0 50 CCAA COc1cccc(F)c1CN1C[C@H](CO)[C@@H](CO)C1 1565512663 BSXTVBCCZYLAEN-GHMZBOCLSA-N 269.316 0.867 0 50 CCAA COc1cc(OC)nc(N2CCN(C(C)=O)CC2)n1 676496142 YEELSDCJAOUUJW-UHFFFAOYSA-N 266.301 0.162 0 50 CCAA CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C(/C)Cl 170624194 WTRRVZVJSDSQON-ALCCZGGFSA-N 297.746 0.618 0 50 CCAA C[C@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@H]1CN 638900230 FYLFHPAFXVCFSM-WCQYABFASA-N 272.352 0.930 0 50 CCAA COc1ccnc(N2CCC[C@](O)(CC(=O)N(C)C)C2)n1 643720202 YFTCLEZKZKKUFB-AWEZNQCLSA-N 294.355 0.295 0 50 CCAA NC[C@@H](NC(=O)[C@H]1COCCN1)c1ccc2ccccc2c1 192547560 RKPWXRCQRYFVNL-HZPDHXFCSA-N 299.374 0.944 0 50 CCAA CCS(=O)(=O)C1CN(CC(=O)Nc2nccs2)C1 660728326 CMJQCZHQDGFIQM-UHFFFAOYSA-N 289.382 0.201 0 50 CCAA Cn1nccc1CC(=O)N1CCOC[C@@H]1C1CCC1 335404306 JLMSGLQAAXWQFV-CYBMUJFWSA-N 263.341 0.990 0 50 CCAA CCN(C)c1cc(NC2CCN(CC(=O)O)CC2)ncn1 1704339707 JMSFCUKTCUIKLJ-UHFFFAOYSA-N 293.371 0.894 0 50 CCAA Cc1nnc2n1C[C@@H](CNC(=O)c1n[nH]c3c1CCC3)C2 1772704890 ISMJGPFDPLALAV-SECBINFHSA-N 286.339 0.401 0 50 CCAA CCc1nc(N)nc(N2CC[C@@H](CC(=O)NC)C2)c1C 1772704624 OGFLXUILFMIOCC-JTQLQIEISA-N 277.372 0.892 0 50 CCAA CCNc1ccnc(N2C[C@H]3COC[C@@H](C2)C(=O)N3C)n1 1772703916 KWRVQKRBRIIYHF-MNOVXSKESA-N 291.355 0.202 0 50 CCAA O=C(O)c1cc(S(=O)(=O)N2CCOCC2)cs1 14987808 PTENZEKJDNIZMA-UHFFFAOYSA-N 277.323 0.467 0 50 CCAA O=S(=O)(c1cccnc1Cl)N1CCOCC1 15021085 YCOYJCWIMIBSNF-UHFFFAOYSA-N 262.718 0.756 0 50 CCAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O 19229874 USGQSNVLGQWBEC-UHFFFAOYSA-N 297.307 0.965 0 50 CCAA Cc1ccn(CCNC(=O)Cn2nc3ccccc3n2)n1 19595151 GMFORXJHJZBKQO-UHFFFAOYSA-N 284.323 0.753 0 50 CCAA Cn1cc([C@H]2OCC[C@@H]2CN=c2ncc(F)c[nH]2)cn1 1857532887 QJJTUYFFASNAJF-SKDRFNHKSA-N 277.303 0.961 0 50 CCAA Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CC(N)=O)ccc12 2568015 JGDQPBLEUGZCSJ-JTQLQIEISA-N 289.291 0.243 0 50 CCAA in-vitro O=C(NCCc1ccccc1)N[C@H]1CCOC[C@@H]1O 629469757 PRPGUBVXRBEQDI-STQMWFEESA-N 264.325 0.678 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cnnn2C)C1 347899517 IQRGXZRHJKMYOH-RYUDHWBXSA-N 293.371 0.140 0 50 CCAA COc1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1OC 574706457 RBMRLBGVSGIRDA-VXGBXAGGSA-N 295.335 0.519 0 50 CCAA O[C@@H](CN1CCC[C@@H](N2CCCC2)C1)Cn1cccn1 229246315 SBCLQXRLNRJEJJ-CABCVRRESA-N 278.400 0.804 0 50 CCAA Cn1cnc(C(=O)N(CCO)Cc2ccccc2)n1 290183746 RCZVFROKJQGKTE-UHFFFAOYSA-N 260.297 0.450 0 50 CCAA Cn1c(CCN)nnc1SC[C@H]1CCCOC1 426552049 RCXMBQJZAFOLCB-VIFPVBQESA-N 256.375 0.835 0 50 CCAA CCC1(C(=O)O)CCN(C[C@@H]2COCCO2)CC1 708526568 GUSVBYHMTRAYKX-LLVKDONJSA-N 257.330 0.979 0 50 CCAA CCCO[C@H]1CCCN(C(=O)c2cnc(=NC)[nH]c2)C1 383564507 KUCBJALQGOCDSQ-LBPRGKRZSA-N 278.356 0.971 0 50 CCAA N=c1nc(C2CC2)nc(N2CCN3CCCC[C@@H]3C2)[nH]1 383525505 KEAJIUAFYJNJLG-LLVKDONJSA-N 274.372 0.836 0 50 CCAA O=C(CCc1ccncc1)N1CCO[C@]2(CCNC2)C1 717416458 HBDAEUJDFMVIQM-HNNXBMFYSA-N 275.352 0.605 0 50 CCAA CC(C)n1cnnc1CN1CCC2(CC1)CNCCO2 822288487 QKBRRFHISHCBMC-UHFFFAOYSA-N 279.388 0.813 0 50 CCAA COCCCNC(=O)Cc1nc(-c2ccncc2)n[nH]1 12421802 PPUUKFOHDYUJHR-UHFFFAOYSA-N 275.312 0.562 0 50 CCAA CC(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)O 85996 ZUAVWNTVXZCOEL-LBPRGKRZSA-N 265.265 0.744 0 50 CCAA CN1CN(C)C(N)=C([C@@H]2OC(=O)c3ccccc32)C1=O 398974 FDCPMTXBYGUSPE-LLVKDONJSA-N 273.292 0.430 0 50 CCAA O=C(N[C@H](CCO)C(=O)O)OCc1ccccc1 1724800 UBXPAGGJJMSWLC-SNVBAGLBSA-N 253.254 0.748 0 50 CCAA COc1nc(C(=O)N[C@H]2CC[C@H](OC)CC2)nn1C 2356146865 YBYXRMIZMROHLG-KYZUINATSA-N 268.317 0.511 0 50 CCAA CCc1ncnc(N2CCC(N3CC(O)C3)CC2)c1F 2356158439 KMPKQMMNOZAHTF-UHFFFAOYSA-N 280.347 0.823 0 50 CCAA Cc1ccc(C2(O)CCN(C[C@@H]3CNC(=O)O3)CC2)nc1 67908936 ZTYITBRTYPRUTM-LBPRGKRZSA-N 291.351 0.782 0 50 CCAA CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)O 119370384 DJDZIXCJIQSXAD-WDEREUQCSA-N 292.401 0.078 0 50 CCAA Cc1ccc2[nH]nc(C(=O)N3CCN[C@@H](C(=O)O)C3)c2c1 71756801 RVJCZZVQFGQHIJ-LLVKDONJSA-N 288.307 0.370 0 50 CCAA CCn1cc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cn1 328616220 BMIFPPWCKFLGPD-GFCCVEGCSA-N 288.355 0.755 0 50 CCAA CN1CC[C@H](N2C(=O)C3(CCSCC3)N=C2O)C1=O 330304935 QGKPHZFNACHLAY-QMMMGPOBSA-N 283.353 0.239 0 50 CCAA CN1CC[C@@H](NC(=O)CCc2cscn2)C1=O 330880588 YZSHXDSHJFTOKL-SECBINFHSA-N 253.327 0.423 0 50 CCAA NCc1ccc2c(c1)CCCN2C(=O)C[C@@H]1COCCN1 262282593 XJTPAWRUWROGSM-CQSZACIVSA-N 289.379 0.803 0 50 CCAA Cc1nc(CN2CCN(C[C@]3(O)CCNC3)CC2)cs1 77486043 VXQWAFKLHFMTNG-AWEZNQCLSA-N 296.440 0.294 0 50 CCAA Cc1ccc(S(=O)(=O)NC[C@H](O)C2CC2)cn1 331885142 QGNNPBNAWIANEK-NSHDSACASA-N 256.327 0.439 0 50 CCAA Cc1cc(=NC(=O)CN2CCO[C@@H](C3CCC3)C2)[nH]o1 334061936 YZDBZTWFPFIDKW-GFCCVEGCSA-N 279.340 0.844 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1cccnc1 285103972 QEACIQVPRBBIAB-QWRGUYRKSA-N 286.353 0.506 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccnnc2)C1 286518020 VEYCKOXOFWQSJX-KBPBESRZSA-N 290.367 0.802 0 50 CCAA O=C(Cc1nc(O)n[nH]1)NCCOc1ccccc1Cl 426503442 GCHVWRMAVOMTHJ-UHFFFAOYSA-N 296.714 0.901 0 50 CCAA COC(=O)N[C@H](C)C(=O)N(C)Cc1cnn(C)c1 221321733 PXQCKXPWKGXYJY-MRVPVSSYSA-N 254.290 0.123 0 50 CCAA NC(=O)c1cncc(N2CCN(CC3CC3)CC2)n1 80804630 XMERARYVIQANEA-UHFFFAOYSA-N 261.329 0.108 0 50 CCAA O=C(c1cnc(N2CCOCC2)nc1)N1CCSCC1 97674335 ZGTHUGNFLRJLMR-UHFFFAOYSA-N 294.380 0.502 0 50 CCAA COc1cccc(CCNC(=O)[C@@H](C)O)c1OC 244700868 JVJRZNKIIXRSGC-SECBINFHSA-N 253.298 0.743 0 50 CCAA Cc1cnc(CN(C)[C@H]2COC[C@@H]2O)c(C)c1O 253536481 SGIIUCFXCFJUOT-RYUDHWBXSA-N 252.314 0.596 0 50 CCAA O=S(=O)(NCCn1cccc1)N1CCCCC1 267279872 ORKOLNWSHNBYJM-UHFFFAOYSA-N 257.359 0.808 0 50 CCAA CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCNCC2 299781399 UJGHZAQLTRBAGY-NSHDSACASA-N 265.361 0.647 0 50 CCAA Cc1cc(CN2CCN3C[C@H](O)C[C@H]3C2)c(C)nn1 720605813 KMANFJADZIZBKA-UONOGXRCSA-N 262.357 0.344 0 50 CCAA CCN(CCN(C)C)C(=O)[C@@H](C)Cn1cncn1 823038902 VCEDPYGVHUKNGU-NSHDSACASA-N 253.350 0.324 0 50 CCAA Cc1cc(C)nc(Cn2cnc3cn(C)nc3c2=O)n1 584890670 KHUFKURISUOATF-UHFFFAOYSA-N 270.296 0.585 0 50 CCAA CCC[C@H](CC(=O)O)NC(=O)[C@@H]1CCn2ncnc2C1 1875300873 UJEKBIBIARIAAX-NXEZZACHSA-N 280.328 0.600 0 50 CCAA COCCOCCN1C[C@@H]2CCC[C@H](C1)C(=O)N2C 670441474 IOGOJPSBEIMVQK-OLZOCXBDSA-N 270.373 0.592 0 50 CCAA CC1(C)[C@@H](N)C[C@H]1NC(=O)c1ccccc1OCC(N)=O 864091901 ITNFNDCUCTWMPC-NWDGAFQWSA-N 291.351 0.406 0 50 CCAA Cn1nncc1CN1CCOc2ccccc2[C@@H]1C(=O)O 1551395975 FSUMUDNEGVFOCA-CYBMUJFWSA-N 288.307 0.835 0 50 CCAA O=C([C@@H](O)C1CCOCC1)N1CCC2(CC1)COC2 1875274726 VHZMCFFLJOGWSE-LBPRGKRZSA-N 269.341 0.413 0 50 CCAA O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@H]2O)NC12CC(C(=O)O)(C1)C2 1875332188 NDYWZMVYARTRLI-PBLCZOAZSA-N 294.351 0.842 0 50 CCAA C[C@@H]1COC[C@@](CO)(CNc2ncnn3cccc23)N1C 1875398436 QBRSPLNEAHJSDN-RISCZKNCSA-N 291.355 0.223 0 50 CCAA CC(C)C[C@H]1CN(C)CCN1C(=O)CCn1cncn1 886590873 GIHPNSVLVVKTCZ-ZDUSSCGKSA-N 279.388 0.857 0 50 CCAA COc1ccc(F)cc1C(=O)N1CCC(O)(C(=O)O)CC1 269021147 IFUXUBOAUROTBE-UHFFFAOYSA-N 297.282 0.886 0 50 CCAA Cc1ccccc1[C@H]1CN(C(=O)[C@H](N)CO)CCO1 888095797 GWWSTPSMJRBBPW-CHWSQXEVSA-N 264.325 0.215 0 50 CCAA CCNc1ncc(C(=O)N2CC3CC2(C(N)=O)C3)s1 888100547 HJUVHMQBRYRBMM-UHFFFAOYSA-N 280.353 0.665 0 50 CCAA CC(C)(C)OC(=O)N1CCOC[C@H]1C1=NCCN1 958720345 RWUHFYOCQJWCAO-VIFPVBQESA-N 255.318 0.624 0 50 CCAA CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(=O)NC1=O 1776000043 OCZYFSWFZCTIPT-NXEZZACHSA-N 294.282 0.514 0 50 CCAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CNC(=O)C2)C1 247028488 ZRYIPEXYTGLSOY-QJPTWQEYSA-N 265.357 0.065 0 50 CCAA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)CC(N)=O 408056701 KOWGRXKTSDOCKK-SUNKGSAMSA-N 268.357 0.794 0 50 CCAA Cc1cc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)no1 276855066 ZUDJVWKUBREKSW-LBPRGKRZSA-N 289.339 0.845 0 50 CCAA O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCNC1 225391490 GCWRNFLXHUWVJI-LLVKDONJSA-N 278.356 0.129 0 50 CCAA COC(=O)c1ccc(CNC(=O)CC2(N)CC2)o1 595932923 DRXNOPSBDKAKOM-UHFFFAOYSA-N 252.270 0.564 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2c[nH]cc2C)C1 644035713 XBOAUHBPPXOXJA-AWEZNQCLSA-N 279.340 0.426 0 50 CCAA NCc1nc(C(=O)N2CCC[C@H]3CNC[C@H]32)cs1 648148601 QVOZRELBELTGRD-WCBMZHEXSA-N 266.370 0.426 0 50 CCAA CC1(C)COC(=O)[C@@H]1NC(=O)Nc1ccc(C2CC2)nn1 583650756 AHTONGPYWFWNFF-NSHDSACASA-N 290.323 1.427 0 50 CCAA O=C(NN1CCCNC1=O)c1coc(C2CC2)n1 777292025 DURPNBCXWPLACX-UHFFFAOYSA-N 250.258 0.612 0 50 CCAA CCc1nc(CN2CC[C@H](CC(=O)NC)C2)no1 1506412484 ZAXZFVAMYVDNDP-SECBINFHSA-N 252.318 0.590 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCCc2nnc(C)s2)CC[C@@H]1O 1704324826 FKJVJOKZIYJCOZ-OUAUKWLOSA-N 299.396 0.681 0 50 CCAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1cnn[nH]1 1704299630 SEQMXLOMRCTOBT-ZYHUDNBSSA-N 273.296 0.187 0 50 CCAA CCOC(=O)C(C)(NC(=O)c1cnccn1)C(=O)OCC 1615550433 USTNQZDOAFQWQP-UHFFFAOYSA-N 295.295 0.091 0 50 CCAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)CO)C1 330477793 MUWXSAJAJRUASV-ZDUSSCGKSA-N 263.341 0.354 0 50 CCAA O=C(c1ncc(F)cc1F)N1CCC([C@@H](O)CO)CC1 1772707751 ZIKHBDYHVWETNJ-NSHDSACASA-N 286.278 0.565 0 50 CCAA Cc1cc(C)n2ncc(CN3CC[C@H](CO)[C@H](O)C3)c2n1 1857719751 SSXHGQACUFQRPI-TZMCWYRMSA-N 290.367 0.521 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)c2ccoc2C2CC2)C1 643998730 SDOXJSKGHAQQPT-OAHLLOKOSA-N 292.335 1.000 0 50 CCAA CCO[C@H]1C[C@@H]1C(=O)N1CCC(n2cnnc2O)CC1 536101836 CLJJUIQCLBCWET-QWRGUYRKSA-N 280.328 0.572 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)Cc1ccc(C)nc1 643944206 XUVOUDDQEGOFNV-HNNXBMFYSA-N 291.351 0.425 0 50 CCAA Cc1cnc(NS(=O)(=O)c2cnc(C)n2C)cn1 903656802 TVRSOOAEXMSMEV-UHFFFAOYSA-N 267.314 0.628 0 50 CCAA Cc1cnc(CN2CCCC[C@H]2CS(N)(=O)=O)nc1 825248640 VSCDVIXPMBMJGB-NSHDSACASA-N 284.385 0.428 0 50 CCAA Cn1ncc(CN2CC[C@@H](n3cc(C4CC4)nn3)C2)n1 931119687 AMBBKQPUFGUCNU-GFCCVEGCSA-N 273.344 0.731 0 50 CCAA Cc1c(C(=O)NCc2cnn(CCF)c2)nnn1C 1119914732 RPQRHPOJMOHYQB-UHFFFAOYSA-N 266.280 0.220 0 50 CCAA O=C(C1CCC1)N1CCN(CC[C@H]2COCCO2)CC1 1775980842 CNQIGSLFJMZFQK-AWEZNQCLSA-N 282.384 0.736 0 50 CCAA CC(C)[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CCO1 262265827 FUXLLDYKXYTCAK-AXFHLTTASA-N 271.313 0.502 0 50 CCAA Cc1cc(C(=O)N2CC(=O)NCC2(C)C)n(C)n1 282703025 PAHXBSOSKWQVML-UHFFFAOYSA-N 250.302 0.079 0 50 CCAA CN(Cc1nccc(N)n1)C[C@H]1CCc2nccn2C1 328644066 RPQXHFZBJPPBRC-LLVKDONJSA-N 272.356 0.950 0 50 CCAA O=C(O)c1ccoc1C(=O)N1CCC[C@@H](O)CC1 378672320 LFKBAVPQFGDJBH-MRVPVSSYSA-N 253.254 0.965 0 50 CCAA CC[C@H](NC(=O)[C@@H]1CNCCC1(F)F)C(=O)OC 592484556 WQEUWHIDLFKCTL-YUMQZZPRSA-N 264.272 0.299 0 50 CCAA CNC(=O)c1ccc(CNC(=O)N2CC[C@@H](O)C2)cc1 584894403 YCZGFYIYNYPSNM-GFCCVEGCSA-N 277.324 0.322 0 50 CCAA C[C@H](C(=O)N[C@@H]1[C@H]2CCC(F)(F)[C@H]21)c1nn[nH]n1 2325806807 HXICOGWZZRAXHA-VWDOSNQTSA-N 257.244 0.463 0 50 CCAA CS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O 154299 XRHVWOVQSCNJFX-UHFFFAOYSA-N 297.332 0.844 0 50 CCAA O=C(O)[C@H]1C[C@H](O)CN1C(=S)Nc1ccccc1 174762 SXSUDRGUXPALIB-VHSXEESVSA-N 266.322 0.903 0 50 CCAA biogenic CCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCC 1577190 PCYQQSKDZQTOQG-NXEZZACHSA-N 262.302 0.395 0 50 CCAA CS(=O)(=O)N(CCC(=O)O)Cc1ccccc1 2379770 OQWXCICKZFCDBP-UHFFFAOYSA-N 257.311 0.923 0 50 CCAA C[C@@H](O)CNC(=O)C(=O)Nc1ccc(N(C)C)cc1 2944224 RBAZTBOYVTULAT-SECBINFHSA-N 265.313 0.188 0 50 CCAA CCOC(=O)C1(O)CCN(Cc2ccnc(O)c2)CC1 602777389 DRJWJTYBEBNJKW-UHFFFAOYSA-N 280.324 0.677 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CCc2cnn(C)c2)CC1=O 229332159 MHVVEBNBDUHPHK-WXHSDQCUSA-N 290.367 0.478 0 50 CCAA NC[C@](O)(Cn1cncn1)c1ccc(F)cc1F 34348961 ASBYJKDHSKXTPZ-NSHDSACASA-N 254.240 0.403 0 50 CCAA O=c1c2c(ncn1CCn1nc3ccccn3c1=O)CCC2 329890332 GCZCVOGIGYHEGA-UHFFFAOYSA-N 297.318 0.242 0 50 CCAA Cc1nc(CNS(=O)(=O)c2cnn(C)c2)sc1C 173229118 IWUWABTWSVSDKU-UHFFFAOYSA-N 286.382 0.972 0 50 CCAA CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c(O)n2)CCN1C(C)C 77298264 BLLCRAUTMRWAQN-SNVBAGLBSA-N 294.355 0.420 0 50 CCAA CO[C@H]1CNC[C@H]1NC(=O)c1ccc(F)cc1C 156646195 SYUMRCSPQIEVCA-NEPJUHHUSA-N 252.289 0.851 0 50 CCAA Cn1ncc(Cl)c1CN1C[C@H](F)C[C@H]1C(N)=O 284725673 SRRNSOFGXDHFLV-SVRRBLITSA-N 260.700 0.471 0 50 CCAA O=C(O)CN(C(=O)c1cccc(-n2ccnn2)c1)C1CC1 238090701 DWXGRQLJMOBLQT-UHFFFAOYSA-N 286.291 0.957 0 50 CCAA Cc1nc(C(=O)N2CCC[C@](O)(CO)CC2)c(C)o1 72167676 MISYRBPLFHFKMS-CYBMUJFWSA-N 268.313 0.641 0 50 CCAA O=C(NCc1cccc(F)c1)N[C@H]1CNCC[C@H]1O 426511985 CMKNWKPBHYRZFK-NWDGAFQWSA-N 267.304 0.348 0 50 CCAA O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cnc2n1CCOC2 612658518 IVPUJBSVPDFVNU-UKRRQHHQSA-N 299.330 0.801 0 50 CCAA Cc1ncc(C(=O)NCCC23CCCN2CCC3)c(=O)[nH]1 220188980 MGGSVIJLTWEJIT-UHFFFAOYSA-N 290.367 0.827 0 50 CCAA C[C@H]1CCCCN1C1CN(C(=O)Cc2nc(O)n[nH]2)C1 426498793 YCWLPBBZGLYYND-VIFPVBQESA-N 279.344 0.138 0 50 CCAA O=C(Cn1nccc1[C@H]1CCCNC1)N1CCSCC1 426596497 MXAONWSELXXELX-LBPRGKRZSA-N 294.424 0.926 0 50 CCAA Cc1cccc(Cn2nc(C)nc2COCC(N)=O)c1 96138946 XQTXUBDCBPABRB-UHFFFAOYSA-N 274.324 0.945 0 50 CCAA CCCN1CCC(CC(=O)N[C@H](C)c2nnn[nH]2)CC1 95382214 RNFYJRAKBSYLCM-SNVBAGLBSA-N 280.376 0.889 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC(COC)(C2CCC2)C1 862176964 LOQXHOSMVRGZMA-UHFFFAOYSA-N 280.368 0.906 0 50 CCAA CC[C@]1(C)NC(=O)N(NC(=O)COc2ccccc2)C1=O 298209161 KPPFUKWKSZPWCK-AWEZNQCLSA-N 291.307 0.817 0 50 CCAA C[C@H](OCC(F)(F)F)C(=O)N1CCO[C@@H](CC(=O)O)C1 299747804 FCUBVEHOQOGTLE-YUMQZZPRSA-N 299.245 0.656 0 50 CCAA Nc1n[nH]c(CCNC(=O)CN2CCCCCCC2)n1 534581633 XYJSTQVGQKKUMB-UHFFFAOYSA-N 280.376 0.312 0 50 CCAA C[C@@]1(O)CCN(C(=O)c2cncc(Cl)c2)C[C@@H]1O 96136806 QXHLRCQOZALDCS-CMPLNLGQSA-N 270.716 0.693 0 50 CCAA C[C@@H](C(=O)NCCCc1nnc2ccccn12)n1cncn1 299800456 WQRMHJOKRXUQMG-NSHDSACASA-N 299.338 0.631 0 50 CCAA COc1cc(OC)nc(N2CC[C@H](CN(C)C)C2)n1 293010917 IGTCONKGDNKSSB-SNVBAGLBSA-N 266.345 0.882 0 50 CCAA O=C1CN(Cc2cccc(OCCO)c2)CCCN1 828771332 BHRKXYPWAQRDEK-UHFFFAOYSA-N 264.325 0.380 0 50 CCAA Cc1nc(NC[C@H](O)CN(C)C)nc2c1CCCC2 823680462 IBSRXKGJFPRPFF-NSHDSACASA-N 264.373 0.998 0 50 CCAA Cc1nn(CCNC(=O)Cn2ccc(=O)cc2)c(C)c1C 584897703 LDTFZZKHZUQKQY-UHFFFAOYSA-N 288.351 0.786 0 50 CCAA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1nc[nH]n1 584896398 PKMIVUDCNRZQRI-UHFFFAOYSA-N 262.317 0.849 0 50 CCAA Nc1nc(CNC(=O)CCN2CCCCCC2=O)cs1 584902408 MJMMHIJXWQMDDK-UHFFFAOYSA-N 296.396 1.134 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)C2CCOCC2)C1 670459545 IJTJNJKVQSWHLZ-JTQLQIEISA-N 254.330 0.398 0 50 CCAA Cc1ccc(CC(=O)N2CCO[C@@H](CC(=O)O)C2)cn1 269030714 MPPXYMIAFXIZJA-LBPRGKRZSA-N 278.308 0.635 0 50 CCAA CN(C)Cc1cc(CN2CCc3c(nnn3C)C2)no1 1875272088 ATQNHEUSORKXJL-UHFFFAOYSA-N 276.344 0.423 0 50 CCAA Cc1nnc([C@@H]2CCCN2C(=O)CC2OCCO2)o1 1875299865 YQEXCZBWUXXFES-VIFPVBQESA-N 267.285 0.805 0 50 CCAA CC(C)c1noc(=O)n1CC(=O)C1CCOCC1 1875316036 RLRJKUYZOGJCHA-UHFFFAOYSA-N 254.286 0.955 0 50 CCAA Cn1cc(Cl)nc(N[C@H]2CCOC[C@H]2F)c1=O 1875328931 SUDSDJBNOHXRHY-RQJHMYQMSA-N 261.684 0.973 0 50 CCAA C[C@H](Cn1cncn1)C(=O)NCCCc1cnn(C)c1 952980066 UAQFYPBOYKKGFU-LLVKDONJSA-N 276.344 0.397 0 50 CCAA CO[C@@H]1CN(Cc2nonc2C)C[C@H]1c1cn(C)nn1 886072041 LEEXAVXAYAOSIA-JOYOIKCWSA-N 278.316 0.121 0 50 CCAA CC(=O)Nc1nnc(S(=O)(=O)N2CCCC2)s1 36182529 DFABRGZXLFHCSQ-UHFFFAOYSA-N 276.343 0.281 0 50 CCAA Cc1nc(N)nc(N2CCC[C@@H](c3ccn(C)n3)C2)n1 895641697 UBVPPUMPLWFBOR-SNVBAGLBSA-N 273.344 0.880 0 50 CCAA C=CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 1336682407 RMBZQOQLRNDVOP-NXEZZACHSA-N 270.329 0.923 0 50 CCAA Cc1ccc(CN(C)CC(=O)N[C@H]2CCNC[C@@H]2O)cc1 1565526705 FBKWXSYLCCXHJZ-GJZGRUSLSA-N 291.395 0.266 0 50 CCAA COC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](C)C2)c1 170639708 VAPWTAXJPYAUQU-JTQLQIEISA-N 299.348 0.883 0 50 CCAA Cn1c(S)nnc1CCNC(=O)[C@@H]1C[C@@H]1C1CC1 170655860 UXGJYNODCVBKCB-RKDXNWHRSA-N 266.370 0.809 0 50 CCAA C[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@@]1(C)C(=O)O 517376581 AXFIXKLVESDIRJ-IAQYHMDHSA-N 296.367 0.958 0 50 CCAA CC(C)N1C(=O)CN(C(=O)C(C)(C)O)CC1(C)C 408514672 XKBMRTPKYRLLND-UHFFFAOYSA-N 256.346 0.615 0 50 CCAA CC[C@]1(CO)CCCN1C(=O)NCc1nc(N(C)C)n[nH]1 637787422 MDWDQEPXSQVJOI-CYBMUJFWSA-N 296.375 0.317 0 50 CCAA CN(C(=O)c1ccc2ccncc2c1)[C@@H]1CNC[C@H]1O 705673731 JBFJPULLLAONGO-ZIAGYGMSSA-N 271.320 0.640 0 50 CCAA Cc1cn2ccnc(C(=O)NCC[C@@]3(O)CCOC3)c2n1 652802242 DHXWDDMYNOWFFZ-CQSZACIVSA-N 290.323 0.309 0 50 CCAA Cn1ccc(C(=O)N(CC(=O)O)CC(C)(C)C)cc1=O 659782853 IURVTSDZCGBDIV-UHFFFAOYSA-N 280.324 0.958 0 50 CCAA Cn1cccc1CN1CC[C@](O)(Cn2ccnn2)C1 671492554 SPECEZFJBIZFBZ-CYBMUJFWSA-N 261.329 0.254 0 50 CCAA CN1CC[C@](C)(CN(C)C(=O)NCCC(=O)O)C1 1506408446 SCIJXWLMDGDVGR-LBPRGKRZSA-N 257.334 0.444 0 50 CCAA CCc1c(C)nn(C)c1NC(=O)[C@@H]1CCC(=O)N1 1529119413 HBSPYQHLAFVQCS-VIFPVBQESA-N 250.302 0.508 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)[C@@H]1CCCOC1 128211299 KTGGAYRSQUVXNK-ZJUUUORDSA-N 257.286 0.115 0 50 CCAA NC(=O)c1ccc(CNC(=O)C[C@@H]2CC[C@H](N)C2)cn1 1615046138 YDYLELJSKOGIHJ-KOLCDFICSA-N 276.340 0.314 0 50 CCAA O=C(N[C@H]1CCOC1)c1cn(Cc2ccccc2F)nn1 12030459 CCAOMRNYBUVRDR-NSHDSACASA-N 290.298 0.984 0 50 CCAA COc1cccc(C(=O)NCCC(=O)N2CCOCC2)c1 12866001 UDDNYZAQONTAEH-UHFFFAOYSA-N 292.335 0.674 0 50 CCAA CN(C)c1cccc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1 1875248081 YPSAOIZMTQRANL-AAVRWANBSA-N 292.335 0.010 0 50 CCAA O=C(NCCc1ccc(Cl)s1)[C@H]1C[C@H](O)CN1 226318570 XCNAAYBMIUBPIY-IONNQARKSA-N 274.773 0.783 0 50 CCAA COc1ccc([C@H]2C(=O)NC(=O)CN2C)cc1OC 311597823 SHMWLBZKHAEHQH-LBPRGKRZSA-N 264.281 0.333 0 50 CCAA CN1CCO[C@@H](CN(Cc2cc[nH]n2)CC2CC2)C1 328653422 WVXSTOJRZBUQQE-CQSZACIVSA-N 264.373 0.952 0 50 CCAA O=C1CN(C(=O)NCCCn2cccn2)CN1CC1CC1 684034614 UPZBVPFYAVYMGD-UHFFFAOYSA-N 291.355 0.495 0 50 CCAA Cc1nnc(CNC(=O)[C@H]2Cc3ccccc3CN2)n1C 393241881 VKTDMLCMHUBLHO-CYBMUJFWSA-N 285.351 0.454 0 50 CCAA O=C(O)CC1(NC(=O)c2ccncc2)CCOCC1 262558819 YYVUXXSIQPMNBU-UHFFFAOYSA-N 264.281 0.835 0 50 CCAA O=C(CCC(F)(F)F)NC[C@]1(O)CCCNC1 534672958 IKOPLMADWBMHTQ-VIFPVBQESA-N 254.252 0.560 0 50 CCAA NC[C@]1(F)C[C@H](C(=O)N2CCCC[C@H]2Cn2ccnn2)C1 2325779213 ONAVVOJAFUFCOF-OBJOEFQTSA-N 295.362 0.736 0 50 CCAA Cn1ccc(N2CC[C@H](NC(=O)CC3CC(CN)C3)C2)n1 2325797550 FOPOSLKVIYVARI-BPCQOVAHSA-N 291.399 0.490 0 50 CCAA COC1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CC(N)C1 2325800842 IQCUXCBVFLMBMB-UHFFFAOYSA-N 292.314 0.825 0 50 CCAA Cc1c(C(F)(F)F)[nH][nH]c1=NC(=O)c1coc(CN)n1 2325865910 UKYJQQQYHOZYIY-UHFFFAOYSA-N 289.217 0.858 0 50 CCAA COc1ccc(OC)c(NS(=O)(=O)N(C)C)c1 455770 UKDVEVTXKRQHCB-UHFFFAOYSA-N 260.315 0.922 0 50 CCAA COC(=O)C(Br)(Br)C(=O)OC 1720459 UWZGBUTYDAIEAS-UHFFFAOYSA-N 289.907 0.819 0 50 CCAA CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccco1 55376695 AMQYILINLAEERP-NSHDSACASA-N 266.297 0.533 0 50 CCAA CCn1cc(CN(CC(C)C)C[C@@H](O)CO)cn1 55182768 ZYBNHYGMVPSGNT-CYBMUJFWSA-N 255.362 0.714 0 50 CCAA COc1ccnc(N2Cc3cnn(CCO)c3C2)n1 67934538 FWKBSDSRLJKUGY-UHFFFAOYSA-N 261.285 0.194 0 50 CCAA COCC[C@H]1CN(C(=O)c2cc(C)nc(C)n2)CCO1 65373623 ZOUPKERKBNNKSU-LBPRGKRZSA-N 279.340 0.971 0 50 CCAA C[C@H](NC[C@@H](O)CN1CCOCC1)[C@@H](C)n1cccn1 229570603 OSTHRZGDJWBYHV-BFHYXJOUSA-N 282.388 0.115 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C)cc1 153394 XUMMBVXGIOJOPC-ZYHUDNBSSA-N 299.348 0.292 0 50 CCAA CN(C)C(=O)C1(C(=O)N2CC[C@H](c3cnn(C)c3)C2)CC1 329291833 QYGFGBXKELVNOT-NSHDSACASA-N 290.367 0.604 0 50 CCAA CCCN(C(=O)c1cncc(O)c1)[C@@H]1CC(=O)N(C)C1=O 282759406 HZLQWYOPPNALCN-LLVKDONJSA-N 291.307 0.397 0 50 CCAA COc1ccc(CC(=O)N[C@@H]2CCNC[C@H]2O)c(OC)c1 77423002 HNBYPFVARDCSPH-CHWSQXEVSA-N 294.351 0.085 0 50 CCAA CCO[C@H](C)c1noc(CN(C)C(=O)[C@@H]2C[C@H]2C(=O)O)n1 362535308 STCAQBGTDYYWNT-IWSPIJDZSA-N 297.311 0.846 0 50 CCAA CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cccc2nn[nH]c12 527357547 HDXQYRBXMMEXCC-NSHDSACASA-N 287.323 0.651 0 50 CCAA O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CCOC[C@H]1O 219569165 JFNMXFCFFWMVKJ-VXGBXAGGSA-N 293.319 0.614 0 50 CCAA Cc1cccnc1CN1CCN(C[C@]2(O)CCNC2)CC1 77565653 YFAYRWNNIWRIHF-INIZCTEOSA-N 290.411 0.232 0 50 CCAA Cc1nnc(CN2CCC[C@@H]2c2ccc(O)nn2)n1C 528788731 FXXNBJUSGHGNBM-LLVKDONJSA-N 274.328 0.956 0 50 CCAA O=C(CCn1cncn1)NCc1cccc(-c2nnn[nH]2)c1 220568225 YJVUSLLVKUDMOM-UHFFFAOYSA-N 298.310 0.165 0 50 CCAA CSc1ncc(C(=O)N(C)C[C@@H]2COCCO2)cn1 221253151 KIQNUNPRKPOHEO-SNVBAGLBSA-N 283.353 0.686 0 50 CCAA CCO[C@H]1CN(C(=O)Cn2nc3ccccc3n2)C[C@@H]1O 222858581 PVFRSYUVIJTACS-STQMWFEESA-N 290.323 0.040 0 50 CCAA O=C(CCO)N[C@@H]1CCOC[C@H]1OCc1ccccc1 223151537 MGKAJGZJNAKORT-ZIAGYGMSSA-N 279.336 0.859 0 50 CCAA Fc1ccccc1-n1cc(CN2CCNCC2)nn1 232313875 JFSTZHBSNGYAEJ-UHFFFAOYSA-N 261.304 0.812 0 50 CCAA COc1ccccc1CCC(=O)N1CC[C@@](C)(O)[C@@H](O)C1 96152722 FNCOOBPIPNZCJW-GOEBONIOSA-N 293.363 0.972 0 50 CCAA Cc1nnc(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)s1 91997185 WJJWORMYXRIILT-SECBINFHSA-N 294.380 0.516 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)c1C 97402365 SYPGEZZBUASXLL-SNVBAGLBSA-N 283.353 0.386 0 50 CCAA CN1CCC[C@@H](CN(C)Cc2[nH]c(=O)[nH]c2C(=O)O)C1 97815125 HQMLPGLVYYJKPD-SECBINFHSA-N 282.344 0.175 0 50 CCAA CCCc1noc([C@H]2CC(=O)N(CCN(C)C)C2)n1 95367775 TXQSXTKCWRXBOY-JTQLQIEISA-N 266.345 0.900 0 50 CCAA Cn1c(CN2CCSCC2)nnc1[C@H]1C[C@@H](N)C1 244742207 ODQHFBUZNRLLQL-AOOOYVTPSA-N 267.402 0.569 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1cncc(O)c1 534589625 VTIPXKUSLHSSTO-QWRGUYRKSA-N 252.270 0.321 0 50 CCAA COCCc1noc(CN[C@@H](C)Cn2cncn2)n1 534631681 CMZFEJAVEIMLPN-VIFPVBQESA-N 266.305 0.028 0 50 CCAA CCc1c(C)nn(CC(=O)N[C@@H](C)Cn2cncn2)c1C 299800287 VEZMKOSQVUXEGM-JTQLQIEISA-N 290.371 0.859 0 50 CCAA OC[C@@H]1CCCN(CCN=c2cc[nH]cc2F)C1 828711230 SZWJNHZGAXMAMH-LLVKDONJSA-N 253.321 0.759 0 50 CCAA CN1CCN(S(=O)(=O)N2C[C@H]3CCC[C@@H](C3)C2)CC1 823791191 BWWYVQIAQGQWKM-STQMWFEESA-N 287.429 0.601 0 50 CCAA Nc1nc(Cn2cnc3cccnc3c2=O)cs1 584887286 CRKSBZOUNNCQSM-UHFFFAOYSA-N 259.294 0.879 0 50 CCAA Nc1nc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)cs1 584898231 ZWGUPOGKWSRQMI-SSDOTTSWSA-N 263.326 0.736 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)N(C)Cc1nncn1C 584893565 XBDVSSIPHUTMBH-JTQLQIEISA-N 299.400 0.031 0 50 CCAA CC1=NO[C@H](C(=O)NCCc2c(C)n[nH]c2C)C1 670440808 RMVGJIOAYMHYGL-NSHDSACASA-N 250.302 0.850 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCC(Oc2ncccn2)CC1 584900687 LPXBASKXJFFLFZ-LBPRGKRZSA-N 274.324 0.374 0 50 CCAA O=C1CC[C@H](CN2CCC(C(=O)N3CCOCC3)CC2)O1 670435458 KMIGAHRAKWHRJY-CYBMUJFWSA-N 296.367 0.263 0 50 CCAA O=C(NCCN1CCNCC1)c1onc2c1CCCC2 670445402 HYIPNSVUFOCKQH-UHFFFAOYSA-N 278.356 0.188 0 50 CCAA Nc1cnn(CC(=O)Nc2cccc3nc(O)oc23)c1 1875331719 VOZVKOVLZJEDNU-UHFFFAOYSA-N 273.252 0.951 0 50 CCAA O=C(NC[C@H]1NCCc2sccc21)C1(O)CC1 1875329697 DLNBLWRLJUGASD-SECBINFHSA-N 252.339 0.576 0 50 CCAA C=CC(=O)N1CCC(C(=O)NC(C)(C)CC(=O)OC)CC1 1875365494 IWPQKGYTGSFODF-UHFFFAOYSA-N 296.367 0.869 0 50 CCAA CN(C)C/C=C/C(=O)NCCCCc1cn[nH]c1 1875379705 UYWQKQKUWHCROD-FNORWQNLSA-N 250.346 0.966 0 50 CCAA O=C(NC[C@@H]1CCCO1)N1CC(n2ccnn2)C1 888093254 WWPCKSCHGLVSIJ-JTQLQIEISA-N 251.290 0.023 0 50 CCAA COc1nn(C)cc1CNC(=O)[C@@H]1NCC12CCCC2 1775758483 UFJLEJIGWREYNY-NSHDSACASA-N 278.356 0.577 0 50 CCAA Cc1cncc(S(=O)(=O)N[C@H](C)Cn2cncn2)c1 1364801026 RXNQFRYODVTXEA-SNVBAGLBSA-N 281.341 0.349 0 50 CCAA COCC(=O)NC1CN(c2cc(C)nc(C)n2)C1 275386793 AIUGDZGFDUHGFF-UHFFFAOYSA-N 250.302 0.045 0 50 CCAA O=C1C[C@H](C(=O)N2CCN(c3ccccc3O)CC2)CN1 110367119 VGGGJAFRTQZCIV-NSHDSACASA-N 289.335 0.177 0 50 CCAA Cc1noc(C)c1CCC(=O)Nc1ncn(CC(=O)O)n1 647782275 CUWLSGHOTKIGAR-UHFFFAOYSA-N 293.283 0.539 0 50 CCAA COc1ncncc1CN1CC[C@@H](CN2CCOCC2)C1 648010558 HUOSYPONEHFYHA-ZDUSSCGKSA-N 292.383 0.639 0 50 CCAA NC(=O)c1cn(Cc2csc(-c3ccccn3)n2)nn1 746469808 WLGFXQYEILZJGZ-UHFFFAOYSA-N 286.320 0.944 0 50 CCAA O=C(NCc1ccon1)c1cnc2nc(O)nc(O)c2c1 747433021 ZLZUABNZZQCPLC-UHFFFAOYSA-N 287.235 0.354 0 50 CCAA C[C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)o2)CCN1 572641096 PPLNTEAPNZPDBV-JGVFFNPUSA-N 251.286 0.249 0 50 CCAA Cc1ncc2c(n1)CC[C@@H](NC(=O)[C@H]1NCCO[C@@H]1C)C2 582182010 JLHSOMDZVUXOSX-IUPBHXKESA-N 290.367 0.135 0 50 CCAA NC(=O)COc1ccc(CN2CCc3nn[nH]c3C2)cc1 759552517 AUWHHRGDFCOJLM-UHFFFAOYSA-N 287.323 0.227 0 50 CCAA CCCCCOCC(=O)N(C)C1CS(=O)(=O)C1 585128876 PRAKINIUYJGZNP-UHFFFAOYSA-N 263.359 0.449 0 50 CCAA CC1=C(C(=O)NC[C@@H](CO)Cc2ccco2)OCCO1 1506397810 YNCNOFSNJPTVDO-NSHDSACASA-N 281.308 0.825 0 50 CCAA C[C@@H](CCn1cccn1)NC(=O)[C@H]1CN(C)CC[C@@H]1O 210931923 NNAWZUUCYWWRDY-AVGNSLFASA-N 280.372 0.091 0 50 CCAA CO[C@@H]1[C@@H](C)[C@H](NC(=O)C2(S(C)(=O)=O)CC2)C1(C)C 408205040 PLJZHZBSYXJNRW-LPEHRKFASA-N 289.397 0.739 0 50 CCAA CC(=O)Nc1nonc1NC(=O)CN1CCC[C@H](C)C1 1529188832 DONODNZSWGVWAU-QMMMGPOBSA-N 281.316 0.698 0 50 CCAA COCCN1CN(C(=O)[C@@H]2CCC[C@@H](OC)C2)CC1=O 329183606 OYFBNOAWXSJCMG-VXGBXAGGSA-N 284.356 0.466 0 50 CCAA Cc1noc([C@@H]2CC[C@H](CNS(C)(=O)=O)O2)n1 238850859 DAQMSHSNXPDAOT-SFYZADRCSA-N 261.303 0.147 0 50 CCAA CC(C)CCn1cc(C(=O)N2CCN[C@H](C)C2)nn1 155019890 UECNITRNQPNZJH-LLVKDONJSA-N 265.361 0.758 0 50 CCAA COC(=O)c1cc(=N)[nH]c(N(C)Cc2c(C)noc2C)n1 1857666248 CEYDXMLTFNJPQI-UHFFFAOYSA-N 291.311 0.917 0 50 CCAA CN1C(=O)CCO[C@H]2CN(C(=O)C3(C)CC3)C[C@@H]21 1857707924 AAAOZMLEVDBNSZ-UWVGGRQHSA-N 252.314 0.245 0 50 CCAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)CO)CC2)O1 1857712100 RBZRXFNSDHSNHB-VXGBXAGGSA-N 271.357 0.536 0 50 CCAA CSCCC(=O)N1CCO[C@@H](CCN(C)C)C1 12717177 XLGXDCGNYLFCSB-NSHDSACASA-N 260.403 0.919 0 50 CCAA CN(Cc1nccs1)C[C@@]1(O)CCCN(C)C1=O 14957680 AZHKATKTYITDAG-LBPRGKRZSA-N 269.370 0.558 0 50 CCAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ncc[nH]1 169772659 HEZHFAKMTBXEQL-SNVBAGLBSA-N 299.290 0.489 0 50 CCAA O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccnnc1 1645835842 DKBNIOHLTPGSRH-UHFFFAOYSA-N 288.311 0.200 0 50 CCAA CCCS(=O)(=O)N1CCN(C(=O)CC(C)C)CC1 120132 VDSMUBVHRWJSOA-UHFFFAOYSA-N 276.402 0.917 0 50 CCAA CNC(=O)NC1CN(C(=O)NCCc2cccc(C)c2)C1 331911396 SRWMIJWWCMPIBB-UHFFFAOYSA-N 290.367 0.860 0 50 CCAA O=C(c1cc[nH]c1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1875250488 DQBPQFJVDXDRMF-RISCZKNCSA-N 275.308 0.578 0 50 CCAA O=C(c1ccnc2ccncc12)N1CCOC2(CNC2)C1 663492387 QNZOSSXGJJDCEL-UHFFFAOYSA-N 284.319 0.444 0 50 CCAA CN1CC[C@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1=O 138455038 NKUGCQPXGCQJJB-WCQYABFASA-N 290.319 0.797 0 50 CCAA CC(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2C)C[C@H]1C 945323270 XAZKOTRUMICJFO-KOLCDFICSA-N 264.329 0.705 0 50 CCAA COC[C@H](C)OC[C@H](O)CN1CCC[C@H]1C[C@H](C)O 252535626 GMLWGPDNDMDSSC-XDQVBPFNSA-N 275.389 0.634 0 50 CCAA CNc1nc(C)cc(C(=O)N[C@H](C)c2ncon2)n1 253418180 HSDRUMQYMDZNDV-SSDOTTSWSA-N 262.273 0.701 0 50 CCAA COc1ccc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)c(O)c1 247832827 IBQIBLQMPLNVMN-OCCSQVGLSA-N 281.308 0.359 0 50 CCAA C1CC1n1nnnc1CN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 329784640 WFMBKRYPCCIVKB-DDHJBXDOSA-N 261.329 0.617 0 50 CCAA CCOC1CC(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)C1 335801762 UAWBFQVDQKLRIZ-QIMFLAQGSA-N 266.341 0.540 0 50 CCAA CCn1ncc(CN2CCC[C@@]2(COC)C(=O)O)n1 818629850 NDMGLKITUMSUKN-GFCCVEGCSA-N 268.317 0.364 0 50 CCAA O=S1(=O)CCN(C2CCN(c3ccncn3)CC2)CC1 2325775488 WUCFDPZYHFQXQI-UHFFFAOYSA-N 296.396 0.176 0 50 CCAA CC(=O)N[C@@H](CC(=O)NC1CC(=C2CCC2)C1)C(=O)O 2325792733 IRYUMHVVOLSPLC-LBPRGKRZSA-N 280.324 0.725 0 50 CCAA CN(C[C@H]1CC1(F)F)C(=O)c1cn2c(n1)CC[C@H](N)C2 2325814008 BQTPABUYSKKFNH-BDAKNGLRSA-N 284.310 0.884 0 50 CCAA Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCOC2)c1 4535468 NGUKWISTVXJVJI-CYBMUJFWSA-N 276.336 0.764 0 50 CCAA CCN(CC)C(=O)CN1C[C@H](OC)C[C@H]1COC 344377997 YMOHAUCRTZQDMV-NWDGAFQWSA-N 258.362 0.591 0 50 CCAA C[C@H](NS(=O)(=O)NC1CCCC1)C(=O)NC(C)(C)C 225659447 ZUCORGLTOXCBRG-VIFPVBQESA-N 291.417 0.656 0 50 CCAA O=C(Cn1nnc2ccccc2c1=O)NCc1ccncc1 9119077 UYHBQEOVUJAVDX-UHFFFAOYSA-N 295.302 0.503 0 50 CCAA COCCN1CC[C@@H](C(=O)Nn2c(C)cc(C)cc2=O)C1 20233152 YBAPUUZKXLDGMZ-CYBMUJFWSA-N 293.367 0.504 0 50 CCAA Cc1c[nH]ccc1=NC(=O)N(C)CC1(O)CCOCC1 331299694 QCWKDZRGNXVMIK-UHFFFAOYSA-N 279.340 0.817 0 50 CCAA C[C@@H]1CCC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 231679761 ZUCGBSOTEYGHPF-BREBYQMCSA-N 254.330 0.322 0 50 CCAA COc1ccc(Cc2n[nH]c(=O)n2CC(=O)O)cc1 65397891 ANIJIUQIYRLMFB-UHFFFAOYSA-N 263.253 0.255 0 50 CCAA COC(=O)c1cc(S(=O)(=O)Nc2nc[nH]n2)ccc1C 328594351 FERGHTJGYUDFTD-UHFFFAOYSA-N 296.308 0.701 0 50 CCAA C[C@@H]1CN(C(=O)c2n[nH]c3ccccc3c2=O)CCN1 155183356 SZWRXOAAZDBGGS-SECBINFHSA-N 272.308 0.357 0 50 CCAA CC[C@@H]1CC[C@@H](C(=O)N2CCc3c(ncn(C)c3=O)C2)O1 328644827 ZKNMXKAMUWMGTE-MFKMUULPSA-N 291.351 0.623 0 50 CCAA CCn1nccc1CN(CC(=N)O)C[C@H]1CN(C)CCO1 328630739 JQYPHLRTNISEOF-CYBMUJFWSA-N 295.387 0.571 0 50 CCAA CC[C@H](C(=N)O)N1CCN([C@H](CC)C(=N)O)CC(O)C1 331859528 KBGWGGXLMRVYNK-GHMZBOCLSA-N 286.376 0.593 0 50 CCAA CC(=O)N[C@@H]1[C@@H](Nc2nc(N(C)C)ns2)[C@H]2CCO[C@H]21 219439849 DYSUJQZUSCDFND-UTINFBMNSA-N 297.384 0.308 0 50 CCAA CCCNC(=O)[C@@H]1CCCN(Cc2nnc(C)n2C)C1 125192800 ARGSJUOLZJTPFE-GFCCVEGCSA-N 279.388 0.862 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)N(C)CCc1cnn(C)c1 214967058 IPEXYNMERQJDBT-LBPRGKRZSA-N 275.356 0.954 0 50 CCAA CC(C)S(=O)(=O)CC(=O)N1CCC[C@@H](C(=O)O)C1 261818619 NFQACZQFIRWPTP-SECBINFHSA-N 277.342 0.133 0 50 CCAA CC[C@@H](C(=O)O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 236982754 APZAZQJXQOQSOY-JQWIXIFHSA-N 283.372 0.134 0 50 CCAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1NC2 333625923 ZHYOEONKZWHJAK-ZRJCITRHSA-N 291.395 0.644 0 50 CCAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cn[nH]c1 216529217 QLSMCDMFPAPGLD-NSHDSACASA-N 264.329 0.883 0 50 CCAA CN1CCN(c2ncccn2)C[C@H]1c1nccn1C 373682870 QFHCQGCGRVCQRZ-NSHDSACASA-N 258.329 0.703 0 50 CCAA Cc1onc(-c2ccccn2)c1C(=O)NS(C)(=O)=O 129851550 DMHZADYWTQYYAY-UHFFFAOYSA-N 281.293 0.734 0 50 CCAA Cc1nnnn1CCCN1CCC2(CC1)CC(=O)N(C)C2 77356578 WSODFGQLIPWASP-UHFFFAOYSA-N 292.387 0.316 0 50 CCAA O=c1c2ccsc2ncn1C[C@H]1CNCCO1 32516126 AIWQUTMBOIPCRP-MRVPVSSYSA-N 251.311 0.446 0 50 CCAA Cc1ccoc1C(=O)N1CCC[C@@](O)(Cn2ccnn2)C1 284657976 PJOSUVZNXAYNQW-AWEZNQCLSA-N 290.323 0.847 0 50 CCAA CSCCNC(=O)[C@@H]1CCCN1C1CCNCC1 83410333 MWQSHMRSXJSGGK-LBPRGKRZSA-N 271.430 0.682 0 50 CCAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccoc1 220750731 IWBVCYOHFXPSNA-NXEZZACHSA-N 269.253 0.268 0 50 CCAA COCc1cc(CNc2cc([C@@H]3CCOC3)ncn2)[nH]n1 426551364 RGJKNXKBWPVRRV-SNVBAGLBSA-N 289.339 1.462 0 50 CCAA Cc1[nH]nc(C(=O)NCCc2cnn[nH]2)c1Cl 426584714 NHUGDHXXCQKYGJ-UHFFFAOYSA-N 254.681 0.462 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)CCc2ccnn2C)C1 426379611 DDXJGVVERAUTAX-ZDUSSCGKSA-N 294.399 0.389 0 50 CCAA CC(C)c1cc(C(=O)NCCN2CCNC2=O)on1 91536946 KPELBDUUKCGMKF-UHFFFAOYSA-N 266.301 0.553 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)[C@]1(C)CCCO1 426424253 MCLZHSCSUWYXLJ-AWEZNQCLSA-N 263.341 0.909 0 50 CCAA COC(=O)CCn1nc(C(=O)OC)cc1C(=O)OC 96511678 MBPKASDGQLLHRP-UHFFFAOYSA-N 270.241 0.019 0 50 CCAA NC(=O)c1ccc(-c2nccc(N3CC[C@@H](O)C3)n2)cc1 97743018 ZXKJRQYCIJVSTE-GFCCVEGCSA-N 284.319 0.814 0 50 CCAA C[C@H]1CN(c2ncncc2Br)CC(=O)N1 295710104 KDBVZWCWTWWYNW-LURJTMIESA-N 271.118 0.564 0 50 CCAA C[C@@H]1C[C@@H](c2cccnc2)N(c2nc(=N)[nH]c(=N)[nH]2)C1 624100497 VPDJHPXOSSSLOB-SCZZXKLOSA-N 271.328 0.679 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1ccnc(C2CC2)n1 299752860 VUBZXXRFAQOOTN-SNVBAGLBSA-N 277.280 0.280 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)CN(C)C1CCCC1 824506850 USRZWACPZPBAFE-RYUDHWBXSA-N 256.346 0.391 0 50 CCAA O=C(NCCCc1nc2ccccc2[nH]1)N1CC(O)C1 584885913 VTWOBYZBESYRPF-UHFFFAOYSA-N 274.324 0.882 0 50 CCAA Cc1cc(O)ccc1C(=O)NC[C@@](C)(O)CCCO 584884175 YNVFHLSZFSSIPN-AWEZNQCLSA-N 267.325 0.954 0 50 CCAA Cc1nc([C@H](C)NC(=O)c2c(Cl)cnn2C)n[nH]1 670444288 VKBXZPLNLQQKQK-YFKPBYRVSA-N 268.708 0.991 0 50 CCAA CCCCN1CCN(Cc2nonc2C)CC1=O 670455310 OWSRBBUPVRMBGV-UHFFFAOYSA-N 252.318 0.822 0 50 CCAA N[C@@H]1CCN[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)C1 757215660 WOHMZBZVPKGQFU-JXUBOQSCSA-N 251.296 0.996 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N1C[C@@H]2C[C@H]1CO2 1875268635 BCVBYAFYRRLEGK-YUMQZZPRSA-N 266.326 0.842 0 50 CCAA O=C1N[C@H](C2CC2)C(=O)N[C@H]1COCc1ccccc1 1875290383 ZFCUWUZOBBXHOJ-QWHCGFSZSA-N 274.320 0.596 0 50 CCAA CN1CCN(S(=O)(=O)NC(=O)C(C)(C)C2CC2)CC1 1875285099 CHEYWZAXUIBRFB-UHFFFAOYSA-N 289.401 0.031 0 50 CCAA C=CC(=O)Nc1ccc(N2CCC[C@@H](C(N)=O)C2)nc1 888102251 QLXOHTPFGFCVPC-SNVBAGLBSA-N 274.324 0.908 0 50 CCAA CCC(=O)N1C[C@@H](OC)C[C@H]1c1nnc(O)n1CC 1775957333 OBWPTKVUJBKDNK-IUCAKERBSA-N 268.317 0.702 0 50 CCAA Nc1ncncc1CNC(=O)[C@H]1CC12CCOCC2 1335803568 QMITYGSFRAJLDZ-SNVBAGLBSA-N 262.313 0.492 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CC1)[C@@H](N)CS2(=O)=O 1535543451 RZGVKFILRYSQAF-VIFPVBQESA-N 290.385 0.512 0 50 CCAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)C2CC2)cn1 275232073 DGYHQOBEUZIGIK-NWDGAFQWSA-N 285.369 0.815 0 50 CCAA COC[C@@H](C)S(=O)(=O)NC[C@H]1CCc2nccn2C1 275373898 XUGHVEXKTQUMNE-GHMZBOCLSA-N 287.385 0.400 0 50 CCAA C[C@H]1C[C@H](N2CCOCC2)CN1CCc1cnccn1 639641539 KTTRJLPLAQJGEZ-ZFWWWQNUSA-N 276.384 0.814 0 50 CCAA O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cscn1 408148767 DHSLRVVMGGMTEW-SNVBAGLBSA-N 295.364 0.653 0 50 CCAA CCc1nc(CN2CC[S@@](=O)CC[C@H]2C)no1 408396662 UNGZUKDRXRDORW-XLFHBGCDSA-N 257.359 0.975 0 50 CCAA CC[C@H](C)[C@@H](NCc1nc(N(C)C)[nH]c(=N)n1)C(=O)OC 411527356 FVYLUMABAGMRQX-WCBMZHEXSA-N 296.375 0.027 0 50 CCAA CC[C@@H](O)CN=c1[nH]cnc2ccc(S(C)(=O)=O)cc12 643196860 LIAUOCYYNXZBAT-SECBINFHSA-N 295.364 0.638 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)CCc2ccco2)C1 644034567 UKHUXDUDZUOQAY-OAHLLOKOSA-N 294.351 0.702 0 50 CCAA N=c1nc(N2CCO[C@]3(CCOC3)C2)c2c([nH]1)CCCC2 645213174 GXXWQBKDDVQPQS-OAHLLOKOSA-N 290.367 0.764 0 50 CCAA O=C(O)Cc1cccc(NC(=O)C(=O)N2CCCC2)c1 573234752 ZANCKHTYLITLSR-UHFFFAOYSA-N 276.292 0.875 0 50 CCAA O=C(C[C@H]1COCCN1)NCc1ccc2c(c1)OCO2 72151731 NTZRZBCNOFZJOH-NSHDSACASA-N 278.308 0.410 0 50 CCAA O[C@H]1[C@H]2c3cc4c(cc3CN3CC[C@@H](C[C@H]1O)[C@H]23)OCO4 1634486 VJILFEGOWCJNIK-HHWBASHPSA-N 289.331 0.829 0 50 CCAA biogenic Cc1nc(O)cc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)n1 1704338886 JFRFPTFSJKITRF-NTZNESFSSA-N 290.367 0.837 0 50 CCAA Cc1ncc(CN(CCO)C(=O)c2cn(C)nc2C)[nH]1 1704307065 SODFXXGGXMNQSA-UHFFFAOYSA-N 277.328 0.395 0 50 CCAA C[C@@H](CN(C)c1n[nH]c(=N)s1)N1CCOCC1 1857671823 RTBZNIOZYDYXBX-QMMMGPOBSA-N 257.363 0.108 0 50 CCAA CCCN1CCC[C@H]1C(=O)N1CC[C@@H](CNC)C1 262568983 AXYTUHCTDNZWJR-STQMWFEESA-N 253.390 0.929 0 50 CCAA CCN(CC)CCCn1cc(CN(C)CCO)nn1 1615541407 AFXHCMXYEFVMPX-UHFFFAOYSA-N 269.393 0.434 0 50 CCAA CCOc1cccc(CCNC(=O)[C@@H]2CNC(=O)O2)c1 1615557527 PGIBCVRFZVZNBW-LBPRGKRZSA-N 278.308 0.852 0 50 CCAA Cc1nnc(CN(C)C[C@@H]2CCC(=O)N(C)C2)o1 1772810341 KQVGWBRPIUUPEQ-JTQLQIEISA-N 252.318 0.678 0 50 CCAA CCn1nc(C)c(CNC(=O)Cc2nnc(N)s2)c1C 19300818 UELYYNBPIJBQKK-UHFFFAOYSA-N 294.384 0.812 0 50 CCAA CN(CCc1cn[nH]c1)C(=O)CN1CCCCC1 19720396 FFQLGZJWOVUECF-UHFFFAOYSA-N 250.346 0.897 0 50 CCAA CC(C)(C)[C@@H]1CN(C(=O)[C@@H]2CCCN2C=O)CCO1 408522773 DDZBONZQTUHSCE-RYUDHWBXSA-N 268.357 0.881 0 50 CCAA CN(Cc1nccn1C)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 234295583 VBLHQBSNWZXFSJ-ZJUUUORDSA-N 265.313 0.879 0 50 CCAA CN1CCC[C@H]1CNC(=O)NC[C@@H]1CCn2ccnc2C1 637531188 ZAAVOBFOOFDZCP-OLZOCXBDSA-N 291.399 0.839 0 50 CCAA Cc1c(NC(=O)CN2CCCC[C@@H](O)C2=O)cnn1C 644391562 PYJGFMGNUFEJDE-LLVKDONJSA-N 280.328 0.040 0 50 CCAA CC[C@H](C)N1CCN(C(=O)c2ccc3nn[nH]c3n2)CC1 333174032 OHNUHNICBMFIML-JTQLQIEISA-N 288.355 0.909 0 50 CCAA CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O)O1 11919312 KEJGAYKWRDILTF-HOTMZDKISA-N 260.286 0.375 0 50 CCAA biogenic,in-vitro COc1ccc(CC(=O)N2CCO[C@@H](CN(C)C)C2)nc1 363753869 SVFQEFVHEQSWAK-AWEZNQCLSA-N 293.367 0.422 0 50 CCAA O=C(N[C@H]1CCCn2ncnc21)c1cc2n(n1)CCC2 582361794 MPZMYTNJVDQCAR-JTQLQIEISA-N 272.312 0.686 0 50 CCAA O=C1C[C@@H](Cn2cc(CNC(=O)c3ccccc3)nn2)CN1 900551165 ATCMVTVKIVRQON-LLVKDONJSA-N 299.334 0.344 0 50 CCAA Cn1ncnc1CN1CCOc2ccccc2[C@@H]1C(=O)O 903926049 CKTKRISDYWSHMH-CYBMUJFWSA-N 288.307 0.835 0 50 CCAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1cccnc1)C2 1704315686 BITGEXDPFCHIGK-OLZOCXBDSA-N 261.325 0.371 0 50 CCAA O=C(Cn1nc2n(c1=O)CCCCC2)NOC1CCCC1 1116472010 QDNNWZKKLHVDPP-UHFFFAOYSA-N 294.355 0.762 0 50 CCAA Nc1cc(C(=O)N2CCC[C@H](C3(O)CC3)C2)[nH]n1 1772807419 VRGBTUCTMNXDAN-QMMMGPOBSA-N 250.302 0.369 0 50 CCAA CS(=O)(=O)c1ccc(S(C)(=O)=O)c(C=O)c1 1857780174 PSTDYUXHYJKPES-UHFFFAOYSA-N 262.308 0.306 0 50 CCAA Cc1noc(CCC(=O)N2C[C@H](C)N[C@H](C)C2)n1 153486101 BEFNLYVPWIUYAX-DTORHVGOSA-N 252.318 0.519 0 50 CCAA CC1(C)NC(=O)N(CCN2CC[C@@]3(CCOC3)C2)C1=O 153434962 FDJFBXILPVEXGM-CQSZACIVSA-N 281.356 0.429 0 50 CCAA Cc1cccc(OCCN2CCN(CCO)CC2)c1 32498057 RUCRZHUTXOGVJW-UHFFFAOYSA-N 264.369 0.984 0 50 CCAA Cc1ncncc1C(=O)NC[C@H](O)c1ccc(O)cc1 97784826 USQNJLBCBSHVDV-ZDUSSCGKSA-N 273.292 0.954 0 50 CCAA CN1CC[C@](O)(CNC(=O)c2cnc3cc[nH]c3c2)C1 879484715 XPTQRWAYZQPQCV-AWEZNQCLSA-N 274.324 0.359 0 50 CCAA CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 245623692 CFUQTAAKCYZQAS-FDYHWXHSSA-N 266.341 0.824 0 50 CCAA O=C(O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 113117 QPPHUXXOFJHSIQ-VIFPVBQESA-N 263.249 0.848 0 50 CCAA CS(=O)(=O)N1CCC(C(=O)NCc2ccncc2)CC1 798117 ZRUUGLFVRSXFIQ-UHFFFAOYSA-N 297.380 0.369 0 50 CCAA O=C(c1cnc2ccccc2n1)N1C[C@H]2COC[C@@]2(CO)C1 2356170310 QTASMJTVGNIUAE-ZBEGNZNMSA-N 299.330 0.711 0 50 CCAA O=C(COc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 4155460 BWXNTDHKSXQTIP-SNVBAGLBSA-N 269.322 0.369 0 50 CCAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C 4578635 JHHYFVNEIHPLBN-STQMWFEESA-N 294.351 0.576 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nncs1 101699613 DTBVBKURAWEEKE-HSNKUXOKSA-N 265.294 1.000 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCCN(C)C[C@H]1CC 861490476 XYIGMPSUANDOKL-GFCCVEGCSA-N 267.373 0.574 0 50 CCAA Nc1nc(NCCO)cc(-c2ccc3c(c2)OCCO3)n1 65381362 VFBHYUZMJHBRIH-UHFFFAOYSA-N 288.307 0.901 0 50 CCAA O=C(CCc1ncccn1)N1CCN(C2CC2)CC1 360117751 FKYOFTMXDFAPMS-UHFFFAOYSA-N 260.341 0.716 0 50 CCAA Nc1nnnn1CC(=O)N1CCC[C@@H]1c1nccs1 217029001 CDZWRUWHIDSVLQ-SSDOTTSWSA-N 279.329 0.076 0 50 CCAA CC(C)c1nnc(CN2CC[C@H](CO)[C@@H](O)C2)o1 72152392 GUVWGWVKODJWJX-ZJUUUORDSA-N 255.318 0.368 0 50 CCAA Cn1nccc1[C@@H]1CCCCN1C(=O)CCNC(=N)O 330388786 NNJFETJFPUNGOC-NSHDSACASA-N 279.344 0.946 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@@H]([C@H](C)N)C2)CC1 156304404 RGUUUENOBBBPKO-VHSXEESVSA-N 253.346 0.098 0 50 CCAA NC(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2N)C1 237874096 CAGOCBQMOMPFPK-AXFHLTTASA-N 253.346 0.228 0 50 CCAA Cc1nc(NCCCc2nnn[nH]2)c2cnn(C)c2n1 72165371 NVIMFENPOUVGQJ-UHFFFAOYSA-N 273.304 0.230 0 50 CCAA O=C(NC[C@H](O)[C@@H]1CCOC1)[C@@]12CCCC[C@H]1CNC2 262505937 JDWWMBYZKBNXBU-UKTARXLSSA-N 282.384 0.280 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)COc1cccnc1 223765761 UASIEMILUZNWAD-VXGBXAGGSA-N 266.297 0.381 0 50 CCAA CC(C)C(=O)N1CCC[C@@H](CNC(=O)Cn2ccnn2)C1 426727495 NPPBZABRRRAHNJ-LBPRGKRZSA-N 293.371 0.289 0 50 CCAA O=S(=O)(CCNCc1cccnc1)N1CCCC1 40451270 PXNKULDUBBRGMR-UHFFFAOYSA-N 269.370 0.597 0 50 CCAA CSCCN1CCN(C(=O)NCc2ncc(C)[nH]2)CC1 426693667 FTQNSJWSYYKOEL-UHFFFAOYSA-N 297.428 0.908 0 50 CCAA COCCn1cnnc1CN(C)C(=O)C[C@H]1CCCOC1 426380069 ZZYQOEMIBKFYNC-GFCCVEGCSA-N 296.371 0.700 0 50 CCAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1ccnnc1 244795137 RAILOLHXPWOTAM-BPLDGKMQSA-N 298.346 0.984 0 50 CCAA O=C(Cc1ncccc1F)N1CCO[C@@H](CF)C1 622102064 MSODHDODDQFAPL-VIFPVBQESA-N 256.252 0.960 0 50 CCAA COCCN1CC[C@H](C(=O)NCc2c(C)n[nH]c2C)C1 244734544 NHOPKXPAASGOLJ-LBPRGKRZSA-N 280.372 0.611 0 50 CCAA CNC(=O)c1ccnc(C[C@@H]2CC(=O)N(CCOC)C2)c1 252501519 UGZNGNKVUOZUAL-LLVKDONJSA-N 291.351 0.479 0 50 CCAA COCCN1CCC(C(=O)NCc2cc[nH]n2)CC1 534668541 DQIGOCYDRJETIC-UHFFFAOYSA-N 266.345 0.384 0 50 CCAA COc1cccc(SCC(=O)N2CC(O)C2)c1 268269325 SBFVXBVREJDPHD-UHFFFAOYSA-N 253.323 0.990 0 50 CCAA CCNC(=O)N1CCC(NC(=O)Cc2nonc2C)CC1 299762828 YTFYDJMIPCDGQB-UHFFFAOYSA-N 295.343 0.231 0 50 CCAA CCc1noc(CCNC(=O)c2ccc(=O)n(C)c2)n1 584888689 NQAIFUDJQBXEGD-UHFFFAOYSA-N 276.296 0.303 0 50 CCAA O=C(NCCc1nccs1)[C@H]1CCCCn2nnnc21 584904181 UTAYMHSZICMUTP-VIFPVBQESA-N 292.368 0.756 0 50 CCAA O=C(C1CCCC1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 584888627 OCAQIURPBNDMHK-STQMWFEESA-N 268.357 0.081 0 50 CCAA CC(C)N1C[C@@H](CNC(=O)c2cncnc2)CC1=O 584894049 PRRNVPJPUPIUGH-SNVBAGLBSA-N 262.313 0.463 0 50 CCAA CN(C)S(=O)(=O)N(C)C[C@H]1CC(=O)N(C(C)(C)C)C1 670444958 SVRLGRDHGJBOBD-SNVBAGLBSA-N 291.417 0.372 0 50 CCAA O=c1c2cccnc2ncn1[C@@H]1COC2(CCNCC2)C1 670455824 PMMAQPRIWDOFEX-NSHDSACASA-N 286.335 0.875 0 50 CCAA O=C1CC[C@@H](NC(=O)c2cc(O)nc(C3CC3)n2)CN1 1875266894 CDIQJDKMWLSHHL-MRVPVSSYSA-N 276.296 0.068 0 50 CCAA C[C@H](N)C(=O)N[C@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1 1875276696 PZNXXASQUAPMTJ-SHYZEUOFSA-N 276.262 0.834 0 50 CCAA O=C(O)[C@@]1(O)CCCN(C(=O)[C@]2(C(=O)O)CC=CCC2)C1 1875358202 MYZUOVXISWCQRX-UONOGXRCSA-N 297.307 0.236 0 50 CCAA CN(C)C/C=C/C(=O)N[C@H](C(N)=O)c1ccccc1F 1875375347 AOSRDKOODNGTNS-LJLILKBBSA-N 279.315 0.586 0 50 CCAA CNC(=O)[C@]12CCOC[C@H]1CN(c1nccc(OC)n1)C2 952852374 FCKJKVZDRIXUTP-YGRLFVJLSA-N 292.339 0.074 0 50 CCAA Cc1cc(Cn2cnc3c(nnn3C)c2=O)sn1 1307357050 MQZBISDVLQJOOP-UHFFFAOYSA-N 262.298 0.338 0 50 CCAA CC1(C)CC(NC(=O)[C@]23CNC[C@H]2CCOC3)C1 1342175962 LRFMIEWHERKJMJ-YGRLFVJLSA-N 252.358 0.917 0 50 CCAA C[C@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1cccs1 247279724 YMYVCFXBDCVOOL-UWVGGRQHSA-N 297.380 0.111 0 50 CCAA Cc1cc(CN(C)C(=O)C2CCS(=O)(=O)CC2)no1 1361808159 QAUNUGNVIRDXPX-UHFFFAOYSA-N 286.353 0.766 0 50 CCAA Cc1cnc(NC(=O)C2=NN3CCCN=C3N2)s1 673921643 GKYFKEMFZUAJPT-UHFFFAOYSA-N 264.314 0.368 0 50 CCAA Cc1nn(CC(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c(=O)o1 640372710 VUPZODRMWIHXCS-TZMCWYRMSA-N 293.323 0.315 0 50 CCAA Cc1ccc(NC(=O)CN2CCCC[C@H](O)C2=O)nc1 644294461 RFRVYSBCWMRXRV-NSHDSACASA-N 277.324 0.702 0 50 CCAA NC(=O)C1(C(=O)N(CCO)Cc2ccc(F)cc2)CC1 1506405278 ALHZNZAAXXKIJF-UHFFFAOYSA-N 280.299 0.412 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccccn3)C[C@H]2O)n[nH]1 1529155016 MUYWYYMNSDHYTE-BXUZGUMPSA-N 286.335 0.789 0 50 CCAA Cc1ncc(CN(CCO)C(=O)[C@H]2CCCCCN2C)[nH]1 1704327446 DHVJUDWVEUWCMI-CQSZACIVSA-N 294.399 0.913 0 50 CCAA COC(=O)c1ccnc(CN[C@](C)(C(N)=O)C(C)C)c1 1615572474 UTSDUOQCHPQPHY-AWEZNQCLSA-N 279.340 0.858 0 50 CCAA C=CS(=O)(=O)CCN1CC(=O)NC[C@@H]1c1ccccc1 1615552749 YJIKHPQSBUWIGM-CYBMUJFWSA-N 294.376 0.718 0 50 CCAA COc1cc(C(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)ccn1 1615747211 JGCHRVQIKFZGKN-QWRGUYRKSA-N 275.308 0.640 0 50 CCAA CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1 19789576 GSAVFMWMAAFSIE-UHFFFAOYSA-N 291.307 0.128 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1ccccn1 169700508 OPKJEKZXOQTIPV-WISYIIOYSA-N 274.276 0.352 0 50 CCAA Cn1ccnc1CCNC(=O)[C@H]1CCn2nccc2C1 1857713927 XPCOWGKMVTUSRW-NSHDSACASA-N 273.340 0.538 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N)n1)C2 1857735215 NDWFNKHFFXQIFA-MNOVXSKESA-N 276.340 0.066 0 50 CCAA Cc1nc(NC[C@H]2CCNC[C@@H]2O)c2c(C)nn(C)c2n1 216465800 NLPSADLHECNEDR-MNOVXSKESA-N 290.371 0.362 0 50 CCAA C[C@@H]1C[C@@H](N2CCO[C@@H](Cn3cccn3)C2)C(=O)O1 229503165 QQDGMLSYXPFZMG-IJLUTSLNSA-N 265.313 0.288 0 50 CCAA N[C@H](CC(=O)N(C[C@H]1CCCN1)C1CC1)C1CC1 328655437 YKLJOCADAJLRCB-DGCLKSJQSA-N 251.374 0.857 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)c2cncc(Cl)c2)C1 643997120 ZPMHYKXCQUTCEG-CYBMUJFWSA-N 297.742 0.578 0 50 CCAA N[C@@]12CCc3nonc3[C@]1(O)CC(c1ccccc1)=[N+]2[O-] 19321847 JENTZDUNXHZRGI-ZIAGYGMSSA-N 286.291 0.262 0 50 CCAA Cc1nccn1[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 822284935 ALKJSTXMIUNEDZ-SNXWAXQRSA-N 263.297 0.542 0 50 CCAA CC(C)(C)n1cc(CNCC2(O)CCC2)c(O)nc1=O 905529436 OECWXWPQTIYMDS-UHFFFAOYSA-N 281.356 0.709 0 50 CCAA CN(C)C1(C)CCN(CCc2nnnn2C)CC1 931355223 QLPBPHYJLAWXED-UHFFFAOYSA-N 252.366 0.169 0 50 CCAA COC(=O)NCCNC(=O)Cc1cc(F)ccc1O 1140758933 ALRDVQXOGZCINC-UHFFFAOYSA-N 270.260 0.546 0 50 CCAA C[C@@H]1OCCN(C(=O)C[C@@H]2CSCCN2)[C@@H]1C 125330381 ZBHAOCKSHVDQJX-OUAUKWLOSA-N 258.387 0.717 0 50 CCAA C[C@@H]1COC[C@@H](C)N1C(=O)CNC[C@@H]1CCCO1 237462042 PZPYXGJCOLKBLC-UTUOFQBUSA-N 256.346 0.391 0 50 CCAA C[C@H]1CCCN(C(=O)C2CCN(C)CC2)[C@H]1CN 156956179 LSNLAMFYNNCNIW-AAEUAGOBSA-N 253.390 0.914 0 50 CCAA COc1cc(C)[nH]c(=NCC[C@@H](O)C(F)(F)F)n1 605147916 KWYVKRSSBFKBPN-SSDOTTSWSA-N 265.235 0.941 0 50 CCAA Cc1ccc(S(=O)(=O)NC[C@@]2(O)CCOC2)o1 408098399 QOCXGIADAROTCU-JTQLQIEISA-N 261.299 0.018 0 50 CCAA Cn1nnnc1CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 337282057 JPBFKPRQVZAFSO-QJPTWQEYSA-N 265.361 0.726 0 50 CCAA CN(CCNS(C)(=O)=O)C(=O)c1ccccc1F 708590792 HWJXUHVXQWIMKA-UHFFFAOYSA-N 274.317 0.447 0 50 CCAA CC[C@](NC(=O)c1nc[nH]c2nccc1-2)(C(N)=O)C1CC1 2325757279 JBADPQPFEXMLAM-CQSZACIVSA-N 287.323 0.683 0 50 CCAA CC1(C)CC(CO)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 2325783931 LUPNXORQRZDFBF-SNVBAGLBSA-N 268.357 0.428 0 50 CCAA CO[C@H]1[C@@H](N=c2nc(O)c3c(ncn3C)[nH]2)[C@@H]2CCC[C@H]21 2325786821 HFAXRHUOYNDSIU-SDNRWEOFSA-N 289.339 0.716 0 50 CCAA COc1ccc(N(C)C(=O)c2n[nH]c(O)n2)c(OC)c1 2325879096 HOYZVERQRVJIKT-UHFFFAOYSA-N 278.268 0.804 0 50 CCAA O=C(NCc1cccc2ncnn12)[C@@H]1CCn2nccc2C1 2356140656 NRWPLPJFVPXVSN-LLVKDONJSA-N 296.334 0.805 0 50 CCAA O=C1NC[C@H]2CN(c3nc4ccccc4n3CCO)C[C@@H]12 2356161265 NDZZKWKONWKNGZ-WDEREUQCSA-N 286.335 0.211 0 50 CCAA NC(=O)CSc1nnc(-c2ccncc2)n1CCCO 10312582 ZMEWFFZDCGTWNA-UHFFFAOYSA-N 293.352 0.300 0 50 CCAA Cn1c(O)nc(=O)c2c1n1c(-c3ccccc3)nnc1n2C 10963041 DPQLTMVNJPMHRO-UHFFFAOYSA-N 296.290 0.687 0 50 CCAA NC[C@H]1CC[C@H](CNC(=O)NC[C@H]2CCCN2)CC1 418360325 GADOQZVVRBUMLX-JHJVBQTASA-N 268.405 0.803 0 50 CCAA CC(C)N1CCC[C@H](N[C@@H]2C(=O)NCC[C@H]2C)C1=O 249552232 LEUFXQDKGCAWTM-WOPDTQHZSA-N 267.373 0.500 0 50 CCAA C[C@@H](c1n[nH]c(=O)n1Cc1ccco1)N1CCOCC1 65507980 KGEMWFPNJKGHLA-JTQLQIEISA-N 278.312 0.606 0 50 CCAA Cc1cc(C)n(C2=NN[C@H](N3CCOCC3)C=C2)n1 22591285 AXSCKUBQCFTFAL-GFCCVEGCSA-N 261.329 0.479 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)[C@H]1CN 252209663 VZOHNCFJGSHKJN-NEPJUHHUSA-N 275.418 0.776 0 50 CCAA Cc1cnn(Cc2nnc3n2CCCCC3)c(=O)c1 328595750 DFPOJIQNTNXHOG-UHFFFAOYSA-N 259.313 0.918 0 50 CCAA C=CC(=O)NCCC(=O)N[C@H]1Cc2ccccc2[C@@H]1O 366587678 QKQLRPVGLPLIBB-WFASDCNBSA-N 274.320 0.453 0 50 CCAA CN1CCN(C(=O)[C@H]2CCCOC2)C[C@@H]1c1ncc[nH]1 328621501 HTKCTJADWRIZPL-NWDGAFQWSA-N 278.356 0.651 0 50 CCAA Cc1cnn(CCC(=O)N2CCOC[C@H]2c2ncon2)c1 329057406 MNVPOTFKMOFJFC-NSHDSACASA-N 291.311 0.565 0 50 CCAA CCN1CCOC[C@@H]1C(=O)N(C)CCn1cccn1 329403779 WUFWKFXUOMESLZ-GFCCVEGCSA-N 266.345 0.062 0 50 CCAA CCN1CC[C@H]2OCCN(C(=O)c3ccon3)[C@H]2C1 329542923 NWKQCSZCJCZIEK-NWDGAFQWSA-N 265.313 0.610 0 50 CCAA O=C(c1ccncc1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 219554543 AQWSPOPHAGHNKU-KBPBESRZSA-N 275.352 0.753 0 50 CCAA Cc1noc(C)c1C(=O)N1C[C@@H](C)O[C@@H](C(=O)O)C1 262095868 BNFXZDBUIIABMD-HZGVNTEJSA-N 268.269 0.606 0 50 CCAA CCS(=O)(=O)NCCCN1CC(F)(F)C[C@H]1CO 372501891 FOKUYHAHTSYSDY-VIFPVBQESA-N 286.344 0.018 0 50 CCAA Cc1cc(NC[C@H]2CN(C)CCN2C)n2nccc2n1 72412166 XVDQNHVBCARIRY-LBPRGKRZSA-N 274.372 0.695 0 50 CCAA Cn1cnc2c(C(=O)N3C[C@@H](O)C4(CC4)C3)ccnc21 377333377 IRWYKNNNXPYJJM-SNVBAGLBSA-N 272.308 0.565 0 50 CCAA Cc1nnc(SCCNC(=O)C2=NNC(=O)CC2)s1 215367944 BJQXHPRIOMWZAF-UHFFFAOYSA-N 299.381 0.321 0 50 CCAA Cc1ccc(CCNC(=O)c2cn(C)c(=O)[nH]c2=O)s1 215429857 FCAKMZLAHNYZMV-UHFFFAOYSA-N 293.348 0.416 0 50 CCAA Cc1cc(=O)[nH]c(CCNC(=O)CCc2cccnc2)n1 222250197 DFFXHPYKEYKWHO-UHFFFAOYSA-N 286.335 0.765 0 50 CCAA O=C(COc1ccc(F)cc1)NC1(C(=O)O)CCOCC1 131758715 AXGIKIGFLIZWPK-UHFFFAOYSA-N 297.282 0.955 0 50 CCAA Cc1ncsc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C 220254011 IJKTZQMXMLAIOG-LMLFDSFASA-N 281.381 0.899 0 50 CCAA Cc1cc(O)nc(CCNC(=O)N2CCCO[C@@H](C)C2)n1 426662065 GWQWALJOWFIFMC-NSHDSACASA-N 294.355 0.854 0 50 CCAA C[C@H]1CCC[C@@H](C)N1CC(=O)NCCc1noc(CO)n1 426527651 DFIAHCCVFSLJNK-PHIMTYICSA-N 296.371 0.484 0 50 CCAA Cn1c(SCCCO)nnc1[C@@H]1CCCNC1 426478629 AMANCONMWOIIQK-SECBINFHSA-N 256.375 0.757 0 50 CCAA CCn1ncnc1[C@H](NC(=O)c1cnc[nH]1)C1CC1 426618494 YNHPHMNBEQTORW-SNVBAGLBSA-N 260.301 0.902 0 50 CCAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OC)[C@@H]1O 147908880 KCXVHILKGUDBTH-ZAQNNHEOSA-N 296.319 0.848 0 50 CCAA COc1cncc(CN2C[C@H](N3CCOCC3)C[C@H]2C)n1 625422997 BICGMILOPYDFLE-TZMCWYRMSA-N 292.383 0.780 0 50 CCAA O=C(O)[C@@H]1COCCN(C(=O)CCc2ccncc2)C1 700396250 JYUHVOUXTBLMPM-LBPRGKRZSA-N 278.308 0.574 0 50 CCAA CC(C)(C)N1CC[C@@H](CNC(=O)CN2CCOCC2)C1 616998703 UAWZTRZBCNVMGR-ZDUSSCGKSA-N 283.416 0.555 0 50 CCAA O=C1CC[C@@H](C(=O)NCCCOC2CCCC2)NC(=O)N1 534655015 MZYJYLAEGYPNCE-NSHDSACASA-N 297.355 0.440 0 50 CCAA C[C@@H](NC(=O)NCC(=O)N(C)C)[C@@H](O)c1ccc(O)cc1 534632498 MFKPOCWBUOPEBP-NOZJJQNGSA-N 295.339 0.202 0 50 CCAA Cc1ccc(CN(C)Cc2n[nH]c(CC(N)=O)n2)cc1 823708565 RVTHWVLFLZINLP-UHFFFAOYSA-N 273.340 0.773 0 50 CCAA C[C@H](NC(=O)NCCCn1cc(Cl)cn1)C(N)=O 584893612 PIIORWMAYGZESV-ZETCQYMHSA-N 273.724 0.100 0 50 CCAA Cc1nc(N)sc1CC(=O)NC1(C(N)=O)CCCCC1 584885851 WOCMRJXMKJSZLT-UHFFFAOYSA-N 296.396 0.881 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)C1 630255188 GXIJFRPXMFHTLU-NPIHSRPLSA-N 285.340 0.748 0 50 CCAA Cc1nc2nc(CN(C)C[C@@H]3CCCO3)cc(O)n2n1 670445319 KFEZDEZNNGTOLH-NSHDSACASA-N 277.328 0.749 0 50 CCAA N[C@@]12CC[C@@](CN=c3cc(Cl)nc(O)[nH]3)(C1)OC2 1875308244 VVOSKBHQGAVWBA-QWRGUYRKSA-N 270.720 0.320 0 50 CCAA NS(=O)(=O)c1ccc(N2CC[C@H](O)C2)c(Cl)c1 1875275396 KDTJZPTUFDIPFD-ZETCQYMHSA-N 276.745 0.558 0 50 CCAA CN(CC1CCCC1)S(=O)(=O)CCn1cnnn1 1875289780 NYXZBCNPZVNXKV-UHFFFAOYSA-N 273.362 0.125 0 50 CCAA C[C@]1(C2CC2)COCCN1C(=O)c1nc2ncccn2n1 890591866 VIRHFNFYWBMGFG-CQSZACIVSA-N 287.323 0.765 0 50 CCAA O=C(Cc1ccsc1)N[C@H]1CCOC[C@@H]1OCCO 1565528799 VZAGGCCHABVJCQ-RYUDHWBXSA-N 285.365 0.573 0 50 CCAA CNC(=O)C1CN(C(=O)[C@H](C)Cc2c(C)nn(C)c2C)C1 186129742 KNGHJZLSPHFOMS-SECBINFHSA-N 292.383 0.420 0 50 CCAA O=S(=O)(C1COC1)N1CCO[C@H](c2cccs2)C1 277076510 PQEMAFPJARBEHS-JTQLQIEISA-N 289.378 0.850 0 50 CCAA CCN(CC)C(=O)NC1CCN(C(=O)COC)CC1 169899178 FUQLEZMUZVRKNR-UHFFFAOYSA-N 271.361 0.675 0 50 CCAA Cn1cc(CN=c2[nH]c(=NCCO)c3ccccc3[nH]2)cn1 516603465 VWJKIGXLWKHTQM-UHFFFAOYSA-N 298.350 0.223 0 50 CCAA Nc1nc2c(I)cccn2n1 95704929 TWHJYZNVKBUSQM-UHFFFAOYSA-N 260.038 0.916 0 50 CCAA in-vitro CO[C@@H]1C[C@@H](CO)N(C(=O)c2cnc(C)nc2C)C1 408062170 NLISCKJSNSKDFQ-WDEREUQCSA-N 265.313 0.315 0 50 CCAA CCCn1ncnc1Cn1cc(-c2ccc(CO)nc2)nn1 641166208 PUMYUGKRQPFGRV-UHFFFAOYSA-N 299.338 0.882 0 50 CCAA CCNC(=O)N1CCN(C(=O)c2csnn2)CC1 408114230 DGOUNQIKQAPKNC-UHFFFAOYSA-N 269.330 0.025 0 50 CCAA C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1[C@@H](C)C1(F)F 408232083 RFXBIEHTHGJTJK-QYNIQEEDSA-N 255.286 0.437 0 50 CCAA COc1ccncc1CN1CCC[C@@](O)(CC(N)=O)C1 643808203 WHHFELNFSASZFO-CQSZACIVSA-N 279.340 0.293 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC[C@@](C)(O)C(F)(F)F 901239647 JZKRSIPTDBHLOX-SNVBAGLBSA-N 282.262 0.450 0 50 CCAA CC[C@@H](OC)C(=O)Nc1sc(NC)nc1C(N)=O 1506409890 APTVCLBGULEDRB-RXMQYKEDSA-N 272.330 0.647 0 50 CCAA CNC(=O)c1cccnc1N[C@@H]1CCCCNC1=O 1529151158 GOIHKFJFFSWSTP-SNVBAGLBSA-N 262.313 0.522 0 50 CCAA COc1nscc1CN1CCNC(=O)C1(C)C 1459520170 HLMAGQHABSZQLS-UHFFFAOYSA-N 255.343 0.862 0 50 CCAA CCCC[C@H](NC(N)=O)C(=O)N1CC[C@@H](C(=O)O)C1 261891574 UATSWBXLVYJRQF-BDAKNGLRSA-N 271.317 0.147 0 50 CCAA CCN(CC(F)(F)F)C(=O)c1cnc(C(N)=O)cn1 1772712698 OTVGPPJMVVTEIA-UHFFFAOYSA-N 276.218 0.600 0 50 CCAA COc1ccc(OC[C@@H](O)CN2CCN(C)CC2)cc1 19760411 NHFOZTDVFFHBCI-ZDUSSCGKSA-N 280.368 0.682 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCCOc2ccccc2Cl)C[C@H]1O 1857729759 GIXJEPUFGMVZSC-MVWJERBFSA-N 298.770 0.933 0 50 CCAA CC(C)[C@H]1CN2C[C@@H](NC(=O)c3ncc[nH]3)C[C@H]2CO1 1857733507 MPKQAQTUXKNLQV-SDDRHHMPSA-N 278.356 0.637 0 50 CCAA COc1ccccc1CNC(=O)CN1C[C@@H](F)C[C@H]1CO 346361707 LVOHCBMBODLCQI-STQMWFEESA-N 296.342 0.716 0 50 CCAA COc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 4333181 AQAPMNPVOSUMNS-JTQLQIEISA-N 299.348 0.621 0 50 CCAA CCS(=O)(=O)c1cc(C(=O)OC)c(OC)cc1N 16123605 BBWJVKZAKHIKRQ-UHFFFAOYSA-N 273.310 0.858 0 50 CCAA in-vitro CC(=O)c1ccc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)s1 253383938 NBBGQVHNCVLLPJ-YPMHNXCESA-N 283.349 0.909 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C1 261877606 RIHUZNINHSAMHH-SNVBAGLBSA-N 277.276 0.891 0 50 CCAA NC(=O)[C@H]1CN(c2cncc(Br)c2)CCO1 266462575 YXNBVMARDVKRGT-SECBINFHSA-N 286.129 0.535 0 50 CCAA CO[C@H](C(=O)Nn1ccccc1=O)c1cnn(C)c1 1116905137 PRNBMROXZDZKCO-NSHDSACASA-N 262.269 0.040 0 50 CCAA NS(=O)(=O)C1CN(Cc2ncc(-c3ccccc3)o2)C1 930729739 MHRWTWDWJIXWOL-UHFFFAOYSA-N 293.348 0.814 0 50 CCAA OCCOCCN1CCN=C1NCc1ccccc1 1775994065 RKCLBOHOSARLMC-UHFFFAOYSA-N 263.341 0.457 0 50 CCAA CCS(=O)(=O)c1ccccc1C(=O)N(C)[C@@H]1CCNC1 179099881 UMEXDKGXQJRQJJ-LLVKDONJSA-N 296.392 0.914 0 50 CCAA CCc1nnc(N2C[C@H](OC)C[C@H]2CO)nc1CC 311942821 JUJIAFOGRPSBSZ-VHSXEESVSA-N 266.345 0.582 0 50 CCAA COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@H]1O2 353062584 KITIELFSVBIDKM-NZHYYXIDSA-N 253.298 0.622 0 50 CCAA O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1n1cnnc1 458711 IJSPKZMPNJJNKV-JGVFFNPUSA-N 252.661 0.432 0 50 CCAA O=C(O)CSc1ccc(SCC(=O)O)nn1 2197289 BYSCGAHPOOQOJS-UHFFFAOYSA-N 260.296 0.830 0 50 CCAA NNc1cc(S(=O)(=O)O)cc(C(=O)O)c1Cl 2385095 KTAJPIFDTMQBGK-UHFFFAOYSA-N 266.662 0.571 0 50 CCAA Cc1ccc(C)c(NC(=O)C(=O)NCCN(C)C)c1 2831910 AQQWPMQWVDFPKY-UHFFFAOYSA-N 263.341 0.920 0 50 CCAA CNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 4837778 BUKOFYPQGPXDIN-MRVPVSSYSA-N 274.317 0.726 0 50 CCAA Cc1cc(=O)[nH]c2c(C)cc(S(N)(=O)=O)cc12 10434467 MATZKALCZJYGJH-UHFFFAOYSA-N 252.295 0.792 0 50 CCAA CON(C)c1nc(Oc2ccc(O)nn2)nc(N(C)C)n1 8584481 BEWORRMEYOOQIN-UHFFFAOYSA-N 293.287 0.223 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(CCOCC(F)(F)F)C1 344566582 KSYHFOYKAXLAFZ-YUMQZZPRSA-N 270.251 0.140 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N1CCCNC(=O)C1 112207753 TZZZXPLZGSARQF-UHFFFAOYSA-N 278.356 0.318 0 50 CCAA Cc1nonc1CC(=O)N1[C@H]2CC[C@@H]1CC(=O)N(C)C2 67846769 NIMBYNSILOVWMF-ZJUUUORDSA-N 278.312 0.142 0 50 CCAA C[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1N(C)C 257365960 DJMFIKGMBSDJGG-JHJVBQTASA-N 270.373 0.591 0 50 CCAA COCC1(NC(=O)c2ccc(=O)n(C)n2)CCCC1 67689244 CUUPVRPLDZBKGE-UHFFFAOYSA-N 265.313 0.469 0 50 CCAA C[C@@H](Cc1cnccn1)NC(=O)C(=O)c1cccn1C 215055299 KPSSSYYHMARGGT-JTQLQIEISA-N 272.308 0.745 0 50 CCAA NS(=O)(=O)Cc1ncsc1Br 307114011 RTRWQIDTIMAZMP-UHFFFAOYSA-N 257.134 0.694 0 50 CCAA CCc1ncnc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1F 284578750 NWPFNKNHPTUSPF-ZJUUUORDSA-N 279.319 0.780 0 50 CCAA CNC(=O)c1cccc(CNC(=O)c2ccncn2)c1 488621672 NOUYVSGYOGQHST-UHFFFAOYSA-N 270.292 0.766 0 50 CCAA COC[C@H]1CN(C(=O)c2cn[nH]c2C)CC(C)(C)O1 285398203 FTMGKDCRGMRCFP-SNVBAGLBSA-N 267.329 0.984 0 50 CCAA Cc1ccc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)n1C 129469995 SEFAORVQDMKUJT-QWRGUYRKSA-N 252.314 0.555 0 50 CCAA Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@@H](N)C3)C2=O)cc1 132699632 FASWWUGBENMMPE-OCCSQVGLSA-N 287.363 0.908 0 50 CCAA O=C1CCCC[C@@H](C(=O)N2CCn3cncc3C2)N1 290925523 LJIRMHOOBGLCTJ-NSHDSACASA-N 262.313 0.284 0 50 CCAA NC[C@H]1CCN(C(=O)c2ccccc2N2CCOCC2)C1 178577921 WHZJSPXUJGGFGO-CYBMUJFWSA-N 289.379 0.944 0 50 CCAA NC1CC(c2cc(N3CCCC(CO)(CO)C3)ncn2)C1 220571692 UBKQLUHMBWZYFZ-UHFFFAOYSA-N 292.383 0.253 0 50 CCAA Cc1cc(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)n(C)n1 92077882 FCCWUFOQWOORON-JTQLQIEISA-N 276.340 0.356 0 50 CCAA OC[C@@H](O)Cn1cc(COCc2ccccc2)nn1 91768920 QCPNSMVYZWOAEN-ZDUSSCGKSA-N 263.297 0.348 0 50 CCAA CCCc1cc(C(=O)N2CC[C@H](C(=O)NCC)C2)[nH]n1 91650972 RJLDTVBOYYTNIC-JTQLQIEISA-N 278.356 0.960 0 50 CCAA Cn1cnnc1CCC(=O)N1CCN[C@@H](c2ccccc2)C1 97681718 MMXFRDGAAGBHRR-CQSZACIVSA-N 299.378 0.921 0 50 CCAA CN1CCN(C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)CC1 234382770 UOVMFIQDEOSINK-FIQHERPVSA-N 264.325 0.283 0 50 CCAA CC1(C)COC[C@@H]1NC(=O)N[C@H]1CCN(C2CCC2)C1=O 624170211 NGDRODUORJUUAY-RYUDHWBXSA-N 295.383 0.864 0 50 CCAA Cc1occc1C(=O)N1CCN2C(=O)OC[C@H]2C1 371993176 SDWNWMQETDAYHY-SECBINFHSA-N 250.254 0.865 0 50 CCAA CC(=O)NCCC(=O)Nc1ccnn1Cc1ccncc1 1940195808 OBCYRRZIYWSRJR-UHFFFAOYSA-N 287.323 0.791 0 50 CCAA COc1cccc(C)c1C(=O)N1CCCNC(=O)C1 824792392 CDWAUVVOWOKKHN-UHFFFAOYSA-N 262.309 0.966 0 50 CCAA O=C1OCC2(CCN(C(=O)[C@H]3CC34CCNCC4)CC2)O1 584885514 HYYOHUQCWAYATO-LLVKDONJSA-N 294.351 0.904 0 50 CCAA C=CC(=O)NCCC(=O)N1CCc2c(O)cccc2C1 863305818 BVCDKTMFZPAVDO-UHFFFAOYSA-N 274.320 0.969 0 50 CCAA C[C@H](NC(=O)c1cc(C(F)F)nn1C)c1ncnn1C 670466647 VLMWPGVSMUKWLM-LURJTMIESA-N 284.270 0.977 0 50 CCAA O=C(N[C@@]1(CO)CCSC1)[C@H]1CSCCS1 1875297765 CPMUZBZIHLIYBD-PSASIEDQSA-N 279.452 0.819 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)NCc1cc2ncccc2[nH]1 1875400982 PFCJBMSLHCWVNU-NOZJJQNGSA-N 274.324 0.150 0 50 CCAA Cc1nnc(NC(=O)[C@@H]2CCCO[C@H]2c2cn[nH]c2)n1C 888076070 UXASEUNNKPTHLC-MNOVXSKESA-N 290.327 0.953 0 50 CCAA CNC(=O)N[C@@H]1CCN(C(=O)NC[C@@H](C)CC(F)F)C1 1365411607 GSJDEABQUNGBOY-DTWKUNHWSA-N 292.330 0.991 0 50 CCAA CCS(=O)(=O)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565506088 CXAZICPMEOUJIL-QWRGUYRKSA-N 286.353 0.557 0 50 CCAA CNC(=O)NCCC(=O)N[C@H]1CCO[C@@H]1c1ccncc1 551982280 GHCFNXLSYVNGGH-WCQYABFASA-N 292.339 0.347 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cccc2c1OCO2 643762869 LJDPMKCRKQVGJB-OAHLLOKOSA-N 292.335 0.882 0 50 CCAA N[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 191330827 STELFMBSCURUCT-SNVBAGLBSA-N 275.308 0.581 0 50 CCAA Cc1ccn(C)c1C(=O)N1CC[C@](O)(Cn2ccnn2)C1 671606048 SFQYZCRLJNTCEA-CQSZACIVSA-N 289.339 0.202 0 50 CCAA O=C(CCc1cccnc1)N1CCC[C@@](O)(CO)C1 72169171 JHNZLSPXKWEOKL-AWEZNQCLSA-N 264.325 0.360 0 50 CCAA COCC(=O)NC[C@H]1C[C@H](C(=O)OC(C)(C)C)C[C@H]1O 585086040 WSNYEJSFQHBVII-HBNTYKKESA-N 287.356 0.478 0 50 CCAA COc1nc(N2CCN(C)C(=O)[C@@H]2C)ncc1F 1529103958 ILCBRZFAQZDFKF-ZETCQYMHSA-N 254.265 0.291 0 50 CCAA O=C(CCO)N[C@H]1COC[C@H]1Cc1ccncc1 1704298636 JOPATUSVQLXHQB-NEPJUHHUSA-N 250.298 0.138 0 50 CCAA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)CO)C1 330477792 MUWXSAJAJRUASV-CYBMUJFWSA-N 263.341 0.354 0 50 CCAA CCc1cc(CC(=O)N[C@H]2CCNC23CCC3)n(C)n1 1615548814 TULKOBPTJOAERA-ZDUSSCGKSA-N 276.384 0.926 0 50 CCAA Cc1cc(NC(=O)NC2CN(C(=O)C3CC3)C2)on1 1875289619 DRKLMBYXCQPXCR-UHFFFAOYSA-N 264.285 0.725 0 50 CCAA CCS(=O)(=O)N1CCC[C@H](N(C)CCCN(C)C)C1 15061823 GDVLFYJHNSFILO-ZDUSSCGKSA-N 291.461 0.684 0 50 CCAA COC(=O)c1cc(=N)[nH]c(N2Cc3cnc(C)cc3C2)n1 1857671817 RIEWLGVBRXQAFS-UHFFFAOYSA-N 285.307 0.899 0 50 CCAA O=C(N[C@H]1CCCn2nccc21)N1CCC[C@@](O)(CO)C1 637759926 ODIIACMHSRPQDX-FZMZJTMJSA-N 294.355 0.247 0 50 CCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(c1ccncn1)C2 247829435 HDLPQCULQMGGLA-NEPJUHHUSA-N 276.340 0.550 0 50 CCAA CC[C@@]12C[C@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1772815947 DZXWXPQYWOBFDB-HZMBPMFUSA-N 277.324 0.516 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1O)c1cccc2nccnc12 223856637 XILKGJBBXYJNFX-ZYHUDNBSSA-N 273.292 0.509 0 50 CCAA C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cnccc1N 128138345 KUDNTFRVEMTLIV-WDEREUQCSA-N 260.341 0.973 0 50 CCAA COC[C@](C)(CC(=O)O)NC(=O)c1cccnc1 237105710 DLVVEJSIVYGPHW-LBPRGKRZSA-N 252.270 0.691 0 50 CCAA CC(C)=CCN1CCN(S(=O)(=O)N2CCCC2)CC1 44897197 OLPCQRJOCORFTN-UHFFFAOYSA-N 287.429 0.911 0 50 CCAA Cc1cc(C(=O)NC2(CC(=O)O)CCOCC2)ncn1 554100600 RKXJNPOPGVZQJX-UHFFFAOYSA-N 279.296 0.539 0 50 CCAA COc1cc(C(=O)N2C[C@H](OC)C[C@H]2CO)cc(C)n1 345486945 RCSPFPCFDUZBPM-NWDGAFQWSA-N 280.324 0.620 0 50 CCAA Cn1cc(CC(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)cn1 583619834 NMSZGGCIBQHFEB-NXEZZACHSA-N 290.289 0.843 0 50 CCAA C[C@@](O)(CN1CCC[C@@H](C(=O)NCCN)C1)C(F)(F)F 380765177 QKZXSLFKVHZXSP-MWLCHTKSSA-N 297.321 0.087 0 50 CCAA O=C(N[C@@H](CO)Cc1ccccc1)c1ccncn1 396422127 ILMOBLUVFZICDO-GFCCVEGCSA-N 257.293 0.810 0 50 CCAA O=C(CN1CCCCC1)NC[C@H](O)c1cccc(O)n1 2356141438 APKNMZMEWVXORT-LBPRGKRZSA-N 279.340 0.423 0 50 CCAA C[C@@H](NC(=O)CCN1CCCCO1)c1ncn[nH]1 55271500 BNQWOAGTBBLGLK-SECBINFHSA-N 253.306 0.399 0 50 CCAA Oc1nc(=N[C@H]2CCNC2)[nH]c2c1cnn2-c1ccccc1 420148410 FWFPPKJRIPVRLW-JTQLQIEISA-N 296.334 0.717 0 50 CCAA COCCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101597271 VIALJPRWNQVTSR-RYUDHWBXSA-N 294.351 0.480 0 50 CCAA O=C(NCC1(C(=O)O)CCOCC1)c1cscn1 138136529 AVHBHJKAHIUGHB-UHFFFAOYSA-N 270.310 0.754 0 50 CCAA CCN1CCO[C@H](C(=O)N[C@H]2CCN(CC3CC3)C2)C1 252669865 IWDZGRNFMZPJEF-KBPBESRZSA-N 281.400 0.308 0 50 CCAA COCc1nn(CCCC(=O)N2CCCCC2)c(=O)o1 331012163 ZZXZVIGBAGECIX-UHFFFAOYSA-N 283.328 0.775 0 50 CCAA O=C(NCc1nc(=O)[nH][nH]1)c1ccc(N2CCCC2)cc1 215035357 CABQLXILBFRZBN-UHFFFAOYSA-N 287.323 0.628 0 50 CCAA CC(C)(CNC(=O)c1ccnnc1)N1CCOCC1 153359015 RSZFELJDSKWMDQ-UHFFFAOYSA-N 264.329 0.317 0 50 CCAA O=C(CCNC[C@]1(O)CCNC1)Nc1ccccc1 77375881 SHRWNQUUCCWPNF-CQSZACIVSA-N 263.341 0.329 0 50 CCAA O=C(O)c1cccc(CN2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)c1 216240609 UZAADVBSZKJKMD-PYHGIMPFSA-N 291.347 0.948 0 50 CCAA CS[C@H](C)C(=O)Nc1ccn([C@@H]2CCNC2)n1 328621976 IDFLADOOTIUTRC-RKDXNWHRSA-N 254.359 1.108 0 50 CCAA CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)O)C1 219272079 ZFZPIEHEEMGHEZ-MRVPVSSYSA-N 293.341 0.495 0 50 CCAA O=C(NCCOc1ccccc1F)c1ccc(=O)[nH]n1 31247211 JWNLUWGKSIGEFY-UHFFFAOYSA-N 277.255 0.718 0 50 CCAA CC(=O)N1CC(C(=O)N(C)C[C@@H]2CCc3nccn3C2)C1 365030616 XSMTUTYZYXPRSO-LBPRGKRZSA-N 290.367 0.382 0 50 CCAA O=C(Cc1ccc2c(c1)OCO2)NCCCn1ccnn1 182900279 OJJKLDMPUQZWFR-UHFFFAOYSA-N 288.307 0.756 0 50 CCAA CCC(CC)CC(=O)N(C)[C@@H]1CS(=O)(=O)C[C@H]1O 71738705 YJJWROIMVAPJME-GHMZBOCLSA-N 277.386 0.429 0 50 CCAA C=CC(=O)NCCC(=O)N1CCO[C@H](CCC)C1 490646386 RZIFDZJRPNLICH-LLVKDONJSA-N 254.330 0.706 0 50 CCAA CCC(CC)(CC(=O)O)NC(=O)c1ccc(=O)n(C)n1 262045784 DSVQRWMWYRMYEQ-UHFFFAOYSA-N 281.312 0.544 0 50 CCAA COc1cccc(CN2CCN[C@H](C(=O)O)C2)c1OC 71750278 ARYGCMXQGMELMY-NSHDSACASA-N 280.324 0.562 0 50 CCAA CCN(Cc1nc(C)no1)C(=O)c1n[nH]c(N)c1Cl 219892794 JGUPNVOXWAZVBD-UHFFFAOYSA-N 284.707 0.999 0 50 CCAA Cc1cccc(-n2cc(C(=O)N3CC[C@@H](N)C3)nn2)c1 132432935 MTPLJIYFVDWGHJ-LLVKDONJSA-N 271.324 0.749 0 50 CCAA Cc1noc(C2(NC(=O)C3CC(C)(O)C3)CCOCC2)n1 606444557 IIXIQDSIXWZWCZ-UHFFFAOYSA-N 295.339 0.661 0 50 CCAA NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc3ncccc3c2)C1 285434762 IODMJOMLBJMMII-MRXNPFEDSA-N 299.330 0.687 0 50 CCAA COC[C@H]1CN(C(=O)c2c[nH]c(C)n2)CC(C)(C)O1 285624518 WCSUOZYRVHGKSU-SNVBAGLBSA-N 267.329 0.984 0 50 CCAA COCc1nnc(C(=O)N2C[C@H]3CCC[C@@]3(CO)C2)o1 71756862 BCVWDTAPZLEBKJ-RNCFNFMXSA-N 281.312 0.451 0 50 CCAA Nc1nc(NCCCn2ccnc2)cc(C2CC(N)C2)n1 220651166 OBIRXNNDAJPNRE-UHFFFAOYSA-N 287.371 0.962 0 50 CCAA CCc1nnc(CNC(=O)Cc2cnccn2)s1 222295897 HZYCXTKAEIFXSF-UHFFFAOYSA-N 263.326 0.749 0 50 CCAA COc1ccnc(CN(C)C(=O)[C@@H](C)N(C)C)c1 426535221 RXWSKVUOWQVVBL-SNVBAGLBSA-N 251.330 0.999 0 50 CCAA O=C(CCc1ccncn1)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 616775144 AQFLPAKRZBJTSY-OUCADQQQSA-N 287.323 0.096 0 50 CCAA CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C(N)=O)[nH]1 621891169 WMVIPLFPVHVWSS-JTQLQIEISA-N 278.356 0.670 0 50 CCAA Cc1nc(CNC(=O)CN2CCC(C(N)=O)CC2)cs1 92045743 ZWFJKDPJLCWACQ-UHFFFAOYSA-N 296.396 0.265 0 50 CCAA CC(C)N1CCC[C@@H](C(=O)NCCCn2ccnn2)C1 95365390 ORJVMCURCLCQGJ-CYBMUJFWSA-N 279.388 0.905 0 50 CCAA Cc1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)cnc1C 97634982 GPSSQDKSCKKVTH-NSHDSACASA-N 266.322 0.739 0 50 CCAA CCC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C(=O)O 92062195 CTZBYHWNBHOPNG-MWLCHTKSSA-N 265.313 0.993 0 50 CCAA Cc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)nn1C(C)(C)C 237699696 BBUCAMGASHQMRX-LLVKDONJSA-N 295.339 0.872 0 50 CCAA CC[C@]1(CO)CCCN(CC(=O)Nc2ccn(C)n2)C1 91707334 YHQLWOYINDXUDK-AWEZNQCLSA-N 280.372 0.843 0 50 CCAA C[C@@H]1CN(C(=O)CN(C)C)C[C@H](c2nc(C3CC3)no2)O1 623173441 FDULKVXPRATKIA-MWLCHTKSSA-N 294.355 0.797 0 50 CCAA C[C@@H]1CN(CC(=O)Nc2ccn(C)n2)CCCO1 244816812 SOTQILQYHNJMIB-SNVBAGLBSA-N 252.318 0.469 0 50 CCAA COc1cccnc1N1CC[C@H](n2cc(C(N)=O)nn2)C1 624307070 YKNXUJUEWQFXRD-VIFPVBQESA-N 288.311 0.232 0 50 CCAA CC[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1N(C)C 299754051 RYWKUONYHYWLNA-MGPQQGTHSA-N 284.400 0.981 0 50 CCAA CO[C@H]1CNC[C@@H]1Nc1nc(N(C)C)nc2c1CCCC2 534646597 KBIZQUMLMWUDNW-STQMWFEESA-N 291.399 0.820 0 50 CCAA CCNC(=O)N1CCC(NC(=O)CCC(=O)O)CC1 534578236 TWMHOSWAMHGQDZ-UHFFFAOYSA-N 271.317 0.161 0 50 CCAA Cc1cccc(=O)n1CCC(=O)NCc1cccnc1N 534648662 LFPOYVATIZPMDC-UHFFFAOYSA-N 286.335 0.840 0 50 CCAA CCO[C@H]1CN(CC)C[C@@H]1NC(=O)CCC(=O)O 534662624 QYPFBKVNDPSRLC-UWVGGRQHSA-N 258.318 0.077 0 50 CCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1nccn1C)CC2 299800949 UDELVIXFQGXNPV-COPLHBTASA-N 279.340 0.565 0 50 CCAA O=C1CCCCN1CCNc1cc(NCCO)ncn1 828767797 RYXBIAOCZHTAJC-UHFFFAOYSA-N 279.344 0.305 0 50 CCAA CCCCS(=O)(=O)N1CC[C@@H](CC(=O)NC)C1 822877543 ABNPWPZEANEOES-JTQLQIEISA-N 262.375 0.574 0 50 CCAA CCCn1nccc1S(=O)(=O)N1CCN(C)[C@H](C)C1 670451999 UXEZTCKPRITDJS-LLVKDONJSA-N 286.401 0.618 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)N1CCc2ccccc2CC1 1875402022 YRXJEYKXGIGOIZ-HUUCEWRRSA-N 274.364 0.584 0 50 CCAA Cc1ncc2c(n1)CC[C@H](C(=O)OCc1cnn[nH]1)C2 1875287562 PCJRXXXKCWHSED-VIFPVBQESA-N 273.296 0.751 0 50 CCAA COC(=O)/C=C/CNC(=O)CCc1cncc(OC)c1 1875333371 QFULVSDTRWXDMM-ONEGZZNKSA-N 278.308 0.868 0 50 CCAA CCN1C[C@@H](NC(=O)CSCC(N)=O)C(C)(C)C1 952877594 SIABNHFAOYZHJR-SECBINFHSA-N 273.402 0.051 0 50 CCAA CO[C@@H]1COCC[C@H]1N1CCN(C(=O)OCCF)CC1 952963904 NDINDTRROKBROP-VXGBXAGGSA-N 290.335 0.514 0 50 CCAA COc1cc(NC(=O)[C@@H]2C=CCN2)cc(-n2cnnn2)c1 952985567 FRUJPYYGYJUQEQ-LBPRGKRZSA-N 286.295 0.137 0 50 CCAA CC[C@H]1c2ccccc2CN1C(=O)Cn1cnc(C(N)=O)n1 890614954 TZOZBNGJOQUOIC-LBPRGKRZSA-N 299.334 0.871 0 50 CCAA c1cn2nnnc2c(N2CC(c3ncc(C4CC4)cn3)C2)n1 894902317 YJILSTRSLANSFX-UHFFFAOYSA-N 294.322 0.791 0 50 CCAA CN(C[C@H](O)C1CC1)S(=O)(=O)c1ccccc1N 170597031 OLSSGTRTDCSZEE-NSHDSACASA-N 270.354 0.660 0 50 CCAA CCS(=O)(=O)NCCCN1CC[C@H](C)C[C@@H]1[C@H](C)O 225345157 TWKLKBIKAQKUEI-RWMBFGLXSA-N 292.445 0.797 0 50 CCAA NC[C@H](NC(=O)[C@@H]1COCCN1)c1ccc2ccccc2c1 192547541 RKPWXRCQRYFVNL-HOTGVXAUSA-N 299.374 0.944 0 50 CCAA COCC(COC)NC(=O)N1C[C@@H](C)[C@@](C)(CO)C1 665035373 ODPJLFSSCGTVFI-ZWNOBZJWSA-N 274.361 0.308 0 50 CCAA CCc1cc(CNC(=O)[C@H]2CCc3nnnn3CC2)on1 577380494 ZPVIJMPSXJTUSR-VIFPVBQESA-N 290.327 0.492 0 50 CCAA CN1CCO[C@H](CN(CC2CC2)c2nc(C(=O)O)co2)C1 579964099 RLTDSBXKKSRBPE-NSHDSACASA-N 295.339 0.920 0 50 CCAA Cn1nnnc1CCNC(=O)N1CCC[C@H]1[C@H]1CCCO1 671210651 VQNLZARVBSGDTJ-WDEREUQCSA-N 294.359 0.106 0 50 CCAA O=C(O)c1cccc(CNCCN2CCCC[C@@H]2CO)n1 1506422642 FITVMOWMYOHIQY-CYBMUJFWSA-N 293.367 0.716 0 50 CCAA COC(=O)[C@H](CO)NC(=O)OCc1ccccc1 2027941 CINAUOAOVQPWIB-JTQLQIEISA-N 253.254 0.447 0 50 CCAA in-vitro O=C(O)C[C@@H](O)CNC(=O)OCc1ccccc1 2556673 FHBQZMZFAJJFDA-SNVBAGLBSA-N 253.254 0.748 0 50 CCAA in-vitro C[C@@H](C(=O)Nc1cncc(F)c1)N1CCOCC1 331018205 YWOGCNCOLORTGJ-VIFPVBQESA-N 253.277 0.880 0 50 CCAA CS(=O)(=O)N1CCN(Cc2ccncc2)CC1 19787545 BNPFEROTGSWEBV-UHFFFAOYSA-N 255.343 0.159 0 50 CCAA CC(=O)O[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 149438574 ZBDQHSHVSLIFAR-POYBYMJQSA-N 261.274 0.916 0 50 CCAA CCc1cc(CC(=O)N2C[C@H]3CCC[C@]3(N)C2)n(C)n1 1615545036 FKWBUHCJTIUING-ABAIWWIYSA-N 276.384 0.865 0 50 CCAA N=c1[nH]nc(N2CCN(C(=O)c3cccs3)CC2)s1 1857670309 GZSMXZSNCHHCPC-UHFFFAOYSA-N 295.393 0.975 0 50 CCAA CNC(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1 1625017016 XLRWKWBRLBTTAA-QMMMGPOBSA-N 255.295 0.357 0 50 CCAA COc1ccc(CNc2nn[nH]n2)c(OC)c1OC 5019295 CDYOXIRGGZETES-UHFFFAOYSA-N 265.273 0.838 0 50 CCAA O=CN1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F 5068524 BLODLONMPUWFKQ-SECBINFHSA-N 259.187 0.899 0 50 CCAA COc1cccc([C@H]2NS(=O)(=O)NC2=N)c1OC 5093809 OGKDMAKTYKHLET-MRVPVSSYSA-N 271.298 0.160 0 50 CCAA COC(=O)c1ccc(NC(=O)CN2CCNCC2)cc1 19976807 GNKBRGHNZZUWND-UHFFFAOYSA-N 277.324 0.317 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCc2ccc3nc[nH]c3c2)C[C@H]1O 1857739097 JMSNUTWNGGUNFM-OPQQBVKSSA-N 274.324 0.277 0 50 CCAA CCn1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)cn1 237230276 WWSFHYMYJKJAAE-LBPRGKRZSA-N 295.339 0.999 0 50 CCAA Cc1c(C(=O)N[C@H](CC(N)=O)c2ccccc2)nnn1C 358425341 JXNLHSSMEHVFMT-LLVKDONJSA-N 287.323 0.470 0 50 CCAA CCn1ccc(CC(=O)Nc2nnnn2C2CC2)n1 905847369 KJJQUEHZIYPVQT-UHFFFAOYSA-N 261.289 0.406 0 50 CCAA COc1cc(C)nc(N2CCN(CCC(=O)O)C[C@H]2C)n1 910456548 PTHDWDYLMYIPMO-LLVKDONJSA-N 294.355 0.779 0 50 CCAA Cc1cc(O)c(COC(=O)[C@@H]2CCC(=O)C2)nn1 842766365 RNYANBKABGLBMB-MRVPVSSYSA-N 250.254 0.903 0 50 CCAA O=C(COCc1ccccc1)N1CCC([C@@H](O)CO)CC1 1772704641 OHQGNLKGWDXUEM-HNNXBMFYSA-N 293.363 0.795 0 50 CCAA Cn1nnnc1CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 331657621 SODFKNRISYIQOD-VXGBXAGGSA-N 277.303 0.657 0 50 CCAA Cn1cc(CC(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)cn1 583619835 NMSZGGCIBQHFEB-UWVGGRQHSA-N 290.289 0.843 0 50 CCAA O=C1OCC[C@]1(O)CN1CC[C@H](Cc2ccc(O)cc2)C1 2325807668 KZWHIRKLLHCMAX-CJNGLKHVSA-N 291.347 0.935 0 50 CCAA CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1 2852421 AZHSCRIVDIKZOF-JTQLQIEISA-N 250.298 0.821 0 50 CCAA O=S(=O)(O)NC[C@@H](O)COc1ccc2ccccc2c1 3155692 RJCMSCBTRUGBQN-GFCCVEGCSA-N 297.332 0.972 0 50 CCAA CCOCC(=O)NS(=O)(=O)c1ccc(Cl)cn1 112158356 UYEDSPHVBBDXPY-UHFFFAOYSA-N 278.717 0.576 0 50 CCAA NC(=O)C1(C(=O)N(C/C=C/c2ccccc2)CCO)CC1 55368782 MKKOGBWPUKCCHI-QPJJXVBHSA-N 288.347 0.786 0 50 CCAA CC[C@H](CO)NC(=O)c1cc(CN2CCOCC2)on1 67935109 YIOKFWBDLGPBJM-SNVBAGLBSA-N 283.328 0.008 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2nc[nH]n2)C1 348011459 RIMQWAGFGDUDDU-QWRGUYRKSA-N 279.344 0.130 0 50 CCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCC(F)(F)F 67975739 ZGKSRRZDCQDTSH-YUMQZZPRSA-N 281.278 0.393 0 50 CCAA O=C(NC[C@@H](O)c1ccccc1Cl)[C@@H]1COCCN1 151444775 OAKUXPJCVGWYBP-NWDGAFQWSA-N 284.743 0.478 0 50 CCAA O=S(=O)(Cc1ccccc1)N1CCN2CCOC[C@H]2C1 328587354 GLZVZXOEVLWSPR-CQSZACIVSA-N 296.392 0.533 0 50 CCAA CN1C[C@@]2(CCN(C(=O)CCCn3cncn3)C2)OC1=O 72146736 ZYMQZJOIFGYTSU-CYBMUJFWSA-N 293.327 0.111 0 50 CCAA CCCNc1ncc(CN2CC[C@@H](N)[C@@H](OC)C2)cn1 71748472 QFYILHWSKIBNHL-OLZOCXBDSA-N 279.388 0.847 0 50 CCAA CCO[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1O 219291291 YLDWPGYQSCTWBW-RYUDHWBXSA-N 279.340 0.510 0 50 CCAA O=S(=O)([C@H]1CCOC1)N1CCO[C@H]2CCC[C@H]21 330263511 WPHXQXREURFDIG-AXFHLTTASA-N 261.343 0.358 0 50 CCAA CC(C)c1nnc(S(=O)(=O)[C@H](C)C(=O)N(C)C)n1C 330671182 WFGNQCBOMOWACK-MRVPVSSYSA-N 288.373 0.189 0 50 CCAA COC(=O)c1ccccc1S(=O)(=O)[C@H](C)C(=O)OC 71772546 QQZHEYZBDQBGHS-MRVPVSSYSA-N 286.305 0.808 0 50 CCAA CC(C)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 77425913 UGLVZYNWGFGHLA-ZDUSSCGKSA-N 280.372 0.374 0 50 CCAA O=C1CC[C@H](Nc2cncc(OCCO)n2)C2(CCC2)N1 374622824 ATDBRZBURSXTRF-JTQLQIEISA-N 292.339 0.461 0 50 CCAA CN(C)C/C=C/C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 374878028 NBUQFVRWEUBYQO-GAEWNOSXSA-N 265.357 0.374 0 50 CCAA Cn1nccc1[C@H]1OCC[C@@H]1NS(=O)(=O)CC1CC1 284951347 IXRNGCBZJORELP-JQWIXIFHSA-N 285.369 0.580 0 50 CCAA O=C(c1ccc2c(c1)CCNC2)N1CCC[C@@](O)(CO)C1 72129486 KHWUMJKVPQIMRV-INIZCTEOSA-N 290.363 0.292 0 50 CCAA Cc1cc(C)n(CC(=O)NC2CC(C)(F)C2)c(=O)n1 334541698 IXVLCRJHAHGACN-UHFFFAOYSA-N 267.304 0.867 0 50 CCAA CC[C@H]1COCCN1C(=O)c1ccc(-n2cnnc2)nc1 77299218 IJHJRYXHGZLFOU-LBPRGKRZSA-N 287.323 0.913 0 50 CCAA NC[C@H]1CCCCN1C(=O)c1n[nH]c2ccccc2c1=O 131104363 LRZXSUDIWFPOTN-SNVBAGLBSA-N 286.335 0.877 0 50 CCAA CCc1cnc(Cn2cnc3c(cnn3C)c2=O)o1 525199050 QWMNUIMQKUIPSN-UHFFFAOYSA-N 259.269 0.729 0 50 CCAA CCc1nccn1CCC(=O)N[C@H](C(=O)O)C1CC1 426685495 ZXZKZTOSIXOJOO-LBPRGKRZSA-N 265.313 0.815 0 50 CCAA COCc1cc(N2CCN(C(=O)OC)CC2)ncn1 95387294 WBVQQDKOQKCLIG-UHFFFAOYSA-N 266.301 0.511 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)c2ccn(C)n2)C1 91713519 AHKZSABSBOGGHV-CQSZACIVSA-N 281.356 0.671 0 50 CCAA CCOC1CN(S(=O)(=O)c2c(C)cnn2C)C1 294334184 YSKQLDRULXSVTC-UHFFFAOYSA-N 259.331 0.138 0 50 CCAA Nc1nc(CCC(=O)NCCc2c[nH]cn2)cs1 97819425 AUQCHHPBCREIRR-UHFFFAOYSA-N 265.342 0.740 0 50 CCAA O=S(=O)(CCn1cc(-c2ncc[nH]2)nn1)N1CCCC1 91872063 MHUYGFZYFVRGHN-UHFFFAOYSA-N 296.356 0.094 0 50 CCAA Cc1noc(C)c1C[C@H](C)C(=O)N1CCOC[C@H]1C(=O)O 299751022 PEHPEFZEQZXNIF-UFBFGSQYSA-N 296.323 0.782 0 50 CCAA COCCn1nc(C)c(CNC(=O)[C@H]2C[C@H]2C(=O)O)c1C 299751087 PKZUITYBDXLNFU-WDEREUQCSA-N 295.339 0.483 0 50 CCAA Cn1cc(CCCNC(=O)N2CC[C@@H](CO)C2)cn1 534655190 ANZZYLFOOKVMBC-GFCCVEGCSA-N 266.345 0.377 0 50 CCAA CN1CCN(C)[C@H](CNC(=O)Cc2ccsc2)C1 264700759 CYPJMLLEQJJPDI-GFCCVEGCSA-N 267.398 0.653 0 50 CCAA Cc1cc(O)nc(CNC(=O)CN2CCCCCC2=O)n1 299801388 XMMLHXNJIKEMSK-UHFFFAOYSA-N 292.339 0.509 0 50 CCAA CC(C)c1noc(CCC(=O)N2CCOC[C@@H]2C(=O)O)n1 268993860 UTVKSCQOFRIRTC-SECBINFHSA-N 297.311 0.438 0 50 CCAA CCN(CCN(C)C)C(=O)[C@H](C)Cn1cncn1 823038901 VCEDPYGVHUKNGU-LLVKDONJSA-N 253.350 0.324 0 50 CCAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](O)C2 828635313 GNOJXKOSCHJYAF-SECBINFHSA-N 281.381 0.459 0 50 CCAA CN1CCC[C@@H](CCC(=O)NC2(C(=O)O)CC2)C1 823770651 WXYHJSCYSILCIK-JTQLQIEISA-N 254.330 0.842 0 50 CCAA CN(CCC(=O)O)C(=O)c1cnc2n1CCCC2 630137271 OVJNVCSXFRYWDJ-UHFFFAOYSA-N 251.286 0.766 0 50 CCAA CON1CCC(CC(=O)Nc2cc(C(=O)O)nn2C)CC1 1875394176 XEURGNGHRFWENZ-UHFFFAOYSA-N 296.327 0.720 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@H](C)NC(=O)c1ccco1 1875312080 SDJZJHPDBAPDLD-BSPAPZMXSA-N 280.280 0.243 0 50 CCAA CCCC[C@@H](CN)NC(=O)c1cnc2[nH]c(O)nc2c1 1875346447 DRQPXHHBEAGCTE-VIFPVBQESA-N 277.328 0.911 0 50 CCAA CNC(=O)C[C@@H]1CN(C(=O)NCc2cc(C)co2)C[C@H]1O 1875403015 OWPZYBJOIUWPBH-ZYHUDNBSSA-N 295.339 0.226 0 50 CCAA C[C@H](CNC(=O)/C=C/c1cnc(N)nc1)n1ccnc1 952987594 LWLMOHFUJFUMIA-VMZHVLLKSA-N 272.312 0.646 0 50 CCAA CNC(=O)NC[C@H]1CCCCN1Cc1ccon1 879333872 DKUQSENVARUVAM-LLVKDONJSA-N 252.318 0.958 0 50 CCAA COc1ncc(CNCCN2CCC[C@H](CO)C2)cn1 952985364 VKTRQJQICGEYQS-LBPRGKRZSA-N 280.372 0.279 0 50 CCAA Cc1nnc(NCC23COCCN2CCOC3)nc1C 894800246 KYKXXBKYFULEJE-UHFFFAOYSA-N 279.344 0.002 0 50 CCAA CS(=O)(=O)NCCN1CC[C@H]2OCCC[C@H]2C1 246723902 OJIUFYQIVARVHC-WDEREUQCSA-N 262.375 0.037 0 50 CCAA Cc1cnc2cc(C(=O)N[C@@H]3CCC(=O)NC3=O)ccn12 583573269 PERJXCYZHSVCLA-SNVBAGLBSA-N 286.291 0.178 0 50 CCAA CSc1cc(NC(=O)CN(C)S(C)(=O)=O)ncn1 585125702 CCWQEDPVOMRZCP-UHFFFAOYSA-N 290.370 0.028 0 50 CCAA CC(C)[C@](C)(O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 408301279 QVHXFYLTMKJXIZ-KOLCDFICSA-N 263.359 0.087 0 50 CCAA O=C(Cc1ccsc1)NS(=O)(=O)[C@@H]1CCCOC1 408405096 BQWQKLHQYAFIBK-SNVBAGLBSA-N 289.378 0.916 0 50 CCAA CCC(CC)(CNC(=O)c1nc2ncccn2n1)C(=O)O 659139477 HCGGFSQDJOUBND-UHFFFAOYSA-N 291.311 0.745 0 50 CCAA C[C@@H]1C(=O)NCCCN1C(=O)COCC(F)(F)F 364947997 BTENRXFCQNJIJZ-SSDOTTSWSA-N 268.235 0.302 0 50 CCAA Cn1nc(NC(=O)[C@H]2COCCO2)cc1C(F)(F)F 1615615618 RSMXZHBOIWHUTB-ZCFIWIBFSA-N 279.218 0.793 0 50 CCAA O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C1)C2(CO)CO 1772703294 FGBPPVRPRKGHJS-STQMWFEESA-N 295.766 0.942 0 50 CCAA Cc1ccccc1OCC(=O)N1CCO[C@]2(CCNC2)C1 1857685859 XVNKGMOBQUMERC-INIZCTEOSA-N 290.363 0.965 0 50 CCAA COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 408521675 GKAGCQOBFBLKEW-NWDGAFQWSA-N 294.351 0.623 0 50 CCAA O[C@@H]1CNC[C@H]1Oc1cnn(Cc2ccccc2)c1 399456026 AKIZLZCBDWSEIB-ZIAGYGMSSA-N 259.309 0.643 0 50 CCAA Cc1ccc(S(=O)(=O)NC[C@]23CNC[C@@H]2C3)cc1 1875273920 IGOCRUWIFISUFQ-AAEUAGOBSA-N 266.366 0.883 0 50 CCAA O=c1n(Cc2cnn(CCF)c2)nc2ccccn12 901459198 QSRBQSRQQVQWDR-UHFFFAOYSA-N 261.260 0.710 0 50 CCAA CC(C)(C)CNC(=O)Cn1cc(S(C)(=O)=O)cn1 901606041 JEEJWXHZWTXVMC-UHFFFAOYSA-N 273.358 0.449 0 50 CCAA C[C@]1(NC(=O)c2ccco2)CC2(CCNCC2)OC[C@@H]1O 1704300415 UYUKTOGRROUARV-JSGCOSHPSA-N 294.351 0.672 0 50 CCAA Cn1ncc(CNC(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)n1 811918440 SJNUYEVRYCODPJ-VXGBXAGGSA-N 293.371 0.914 0 50 CCAA Cn1nnnc1N1C[C@@H]2COC[C@]2(c2ccccc2)C1 929059263 PMFWPSNDEZMKMR-OCCSQVGLSA-N 271.324 0.615 0 50 CCAA Cc1ccc(S(=O)(=O)N2CC[C@H](N)C2)c(F)c1 123593255 HWHZEAHTGBTIQH-VIFPVBQESA-N 258.318 0.856 0 50 CCAA COC[C@@H](O)CN(C)C(=O)[C@H]1Cc2ccccc2N1 155708794 NRJOXPVZTCOARY-WCQYABFASA-N 264.325 0.489 0 50 CCAA Cn1cc(CC(=O)N(CC(=O)O)C2CCOCC2)cn1 584053349 IGEIAFTYJAKNHM-UHFFFAOYSA-N 281.312 0.055 0 50 CCAA N[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 122727991 UEOJSQMOQFRWEI-ZCFIWIBFSA-N 280.271 0.826 0 50 CCAA CS(=O)(=O)c1ccc(N2CCNCC2)c(F)c1 154119 CMYAOPCJWBOQNZ-UHFFFAOYSA-N 258.318 0.639 0 50 CCAA CC(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1 2827836 ZBGOMMFDIFXOTM-UHFFFAOYSA-N 270.354 0.832 0 50 CCAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)NC1CCC1 23214025 FJFLICIJXRWEQK-CYBMUJFWSA-N 281.400 0.892 0 50 CCAA CCc1nc(-c2cc(S(N)(=O)=O)ccc2OC)no1 21792593 WKYMRYOCRPHHND-UHFFFAOYSA-N 283.309 0.955 0 50 CCAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(=O)[nH]c1 67872653 UMTAMZMZVWUHMJ-LBPRGKRZSA-N 291.351 0.848 0 50 CCAA O=C(NS(=O)(=O)c1cnccn1)[C@@H]1C[C@@H]1c1ccco1 152325173 YZUICWWWKJNERJ-DTWKUNHWSA-N 293.304 0.678 0 50 CCAA CC(C)CN1CCN(C(=O)c2cn[nH]c2)C[C@H]1CCO 215202220 XCEQVUIFCKDIIK-CYBMUJFWSA-N 280.372 0.575 0 50 CCAA CC[C@@]1(C(=O)O)CCCN(C(=O)Cn2nc(C)cc2N)C1 216223967 JTJQADJPMZSTFB-CQSZACIVSA-N 294.355 0.877 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 329685452 UTANGGMIBGWSDO-FRRDWIJNSA-N 278.356 0.942 0 50 CCAA Cc1n[nH]c(C)c1CCC(=O)N1CCOC[C@H](CO)C1 77540385 BXLKXDFHAFVJAT-LBPRGKRZSA-N 281.356 0.426 0 50 CCAA Cc1csc2ncn(CCN3CCNCC3)c(=O)c12 32577655 AXTUEILHGIULMP-UHFFFAOYSA-N 278.381 0.672 0 50 CCAA O=C(C1CCC1)N1C[C@@H](O)[C@H](NCc2ccccn2)C1 72158986 DCPOGTQBIFHLAS-ZIAGYGMSSA-N 275.352 0.543 0 50 CCAA C[C@H]1CCCC[C@H]1C(=O)Nc1[nH]nnc1C(N)=O 333405368 ORXVSIKCWXKBOJ-NKWVEPMBSA-N 251.290 0.668 0 50 CCAA CCC(C)(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 71754845 KWNFBTXXOLIHPC-UHFFFAOYSA-N 276.402 0.963 0 50 CCAA CCOC(=O)CN(C(=O)[C@H]1COCCO1)C(C)(C)C 241961402 USEUFMWPHPBDQI-SNVBAGLBSA-N 273.329 0.592 0 50 CCAA Cc1noc(C)c1C(=O)N[C@H](C(=O)O)[C@H]1CCCOC1 262060408 JBJLJZIQLBFVSW-ONGXEEELSA-N 282.296 0.901 0 50 CCAA CCN(CC(=O)N1CCCNC(=O)[C@@H]1C)C1CC1 373763639 SXYVKTMHHSILNU-JTQLQIEISA-N 253.346 0.208 0 50 CCAA CC(C)(C)c1cc(C(=O)N2CCOC[C@@H]2C(=O)O)no1 262444192 GMQUJVDERLTXMJ-SECBINFHSA-N 282.296 0.898 0 50 CCAA CNC(=O)C1(C(=O)N2CCOC[C@@H](C3CCC3)C2)CC1 334598734 YESPDKBHVRXBRU-LBPRGKRZSA-N 280.368 0.788 0 50 CCAA CC(C)[C@@H](CNC(=O)c1ccc2nnnn2c1)N(C)C 71764196 VDYQWISRGSMKNH-LLVKDONJSA-N 276.344 0.440 0 50 CCAA Cc1nn(C)c2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c12 72480883 RPCQGCYORKFWKG-VIFPVBQESA-N 295.368 0.518 0 50 CCAA NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccco1)CC2=O 49548688 XEVMIMRMSNBQSW-SSDOTTSWSA-N 272.260 0.980 0 50 CCAA Cc1nc(C(=O)NCCC(=O)O)nn1-c1ccc(F)cc1 342876994 WUNFYIUCUVPBHJ-UHFFFAOYSA-N 292.270 0.919 0 50 CCAA Cc1nc(CNC(=O)CCC2CCN(C)CC2)n[nH]1 426677728 QLHANVQCEKDYHI-UHFFFAOYSA-N 265.361 0.851 0 50 CCAA CO[C@H]1CN(C(=O)Cn2c(C)nc3ccccc32)C[C@@H]1O 426563214 ODTUOCVEZKJNTR-KBPBESRZSA-N 289.335 0.563 0 50 CCAA CC1(CNC(=O)c2cnn3cc(CCO)cnc23)COC1 244884125 YFVIVFVYLJFYHS-UHFFFAOYSA-N 290.323 0.030 0 50 CCAA Nc1ncc(Cl)cc1S(=O)(=O)N1CCC[C@H](N)C1 183106621 BMSQGLJNNFRVEW-QMMMGPOBSA-N 290.776 0.429 0 50 CCAA CCCC[C@@H](NC(=O)Cc1n[nH]c(C)n1)C(=O)O 863981668 GSDVNBLWCMMEDJ-MRVPVSSYSA-N 254.290 0.415 0 50 CCAA Cc1nc2ccccc2n1CCC(=O)NCc1nc(N)n[nH]1 534587280 UOKMVOIPLGOUMQ-UHFFFAOYSA-N 299.338 0.752 0 50 CCAA Cn1cc(S(=O)(=O)N[C@H](c2nccn2C)C2CC2)cn1 534590787 WEBKBAAAYDIKJP-NSHDSACASA-N 295.368 0.583 0 50 CCAA CC(C)C[C@@H](NC(=O)CCn1cnnc1)c1ncnn1C 534631767 LCZYCWLDAHARPP-LLVKDONJSA-N 291.359 0.700 0 50 CCAA Cc1nc(CNC(=O)[C@H]2C=CCN2)nc2c1CCCC2 534658141 DNFLSUXQJHIEQW-CYBMUJFWSA-N 272.352 0.808 0 50 CCAA O=C(Cc1cccs1)N1CCN2C(=O)OC[C@@H]2C1 374575568 GSMQTNIJJBOHPS-VIFPVBQESA-N 266.322 0.954 0 50 CCAA COCCOCCN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299760849 RMBGSAUZSGUAFH-STQMWFEESA-N 282.344 0.087 0 50 CCAA CCOCCN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299755353 APPPLWHLYNLJIH-RYUDHWBXSA-N 252.318 0.460 0 50 CCAA COc1cc(CCNC(=O)[C@@H]2COCCO2)cc(OC)c1 299760840 RQJIIBWGDKUPNQ-AWEZNQCLSA-N 295.335 0.778 0 50 CCAA CC[C@H](NS(=O)(=O)N1CCOCC1)c1ncc(C)[nH]1 822650401 VMKFSPSQWNECQW-JTQLQIEISA-N 288.373 0.336 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@@H](C)c2ncnn2C)c1C 584888903 XIQXEZUAQPGKCL-JTQLQIEISA-N 276.344 0.965 0 50 CCAA O=C(NCCN1CCC[C@H](CO)C1)c1c(O)cccc1O 584887577 GHNHONGJIYWIAR-NSHDSACASA-N 294.351 0.532 0 50 CCAA CCn1ncc(C(=O)N(C)Cc2nc(O)n[nH]2)c1C 1875296149 HQZJFFRGBQSLIH-UHFFFAOYSA-N 264.289 0.307 0 50 CCAA Cc1cc(C(=O)NCC2CCN([C@H](C)C(=O)O)CC2)no1 952975196 CLNZURMYZOUILG-SNVBAGLBSA-N 295.339 0.898 0 50 CCAA CCn1cncc1CN[C@H]1C[C@@H](O)[C@@H]1n1cccn1 888076285 UGLNQAGFGBSZKY-YNEHKIRRSA-N 261.329 0.564 0 50 CCAA N[C@@H]1C[C@@H](NC(=O)COCc2ccccn2)C12CCC2 1775961404 YILJXPRGBQITFA-CHWSQXEVSA-N 275.352 0.984 0 50 CCAA CCOCC(=O)N1CCN(c2nnc(C)s2)CC1 1775994370 CWXLKTJVLSVDCR-UHFFFAOYSA-N 270.358 0.532 0 50 CCAA Cc1nc2c(O)nc(SCC(=O)O)nc2nc1O 1776003860 IOTFBSLMJUDXBO-UHFFFAOYSA-N 268.254 0.316 0 50 CCAA C=CC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 1338394564 MNPVESYHCMOVDI-LLVKDONJSA-N 251.330 0.969 0 50 CCAA O=C(N1CC[C@](O)(c2cnn[nH]2)C1)C1(c2ccccc2)CC1 583618777 HUDLANTXUVKQGR-MRXNPFEDSA-N 298.346 0.956 0 50 CCAA C[C@H](NC(=O)N1CC[C@@H](c2cnn(C)c2)C1)C(=O)N(C)C 172116204 HLWVLAJDOUWRJE-WDEREUQCSA-N 293.371 0.396 0 50 CCAA CC1=C(C(=O)NCCc2nnc(N)s2)OCCO1 1506399893 RJDVHMNTTLDXJP-UHFFFAOYSA-N 270.314 0.057 0 50 CCAA CN1CCC(O)(C(=O)N(C)C[C@]2(C)CCN(C)C2)CC1 1506427709 MMLUZAOXQBHTLZ-CQSZACIVSA-N 283.416 0.243 0 50 CCAA CC(C)Oc1cc(NCCc2nnc(O)n2C)nc(N)n1 1506400111 ANGLTMSHPXFJOY-UHFFFAOYSA-N 293.331 0.335 0 50 CCAA COc1ccc(CC(=O)N[C@H]2CCNC[C@@H]2O)c(OC)c1 213332458 HNBYPFVARDCSPH-STQMWFEESA-N 294.351 0.085 0 50 CCAA O=C(c1scc2c1OCCO2)N1CC[C@@H](CO)[C@@H](O)C1 215482677 FAQOKAQMSCJPPG-IUCAKERBSA-N 299.348 0.335 0 50 CCAA Cc1cccc(CS(=O)(=O)N[C@H]2CCOC[C@@H]2O)c1 625591319 FLUURVRDSCYMQZ-STQMWFEESA-N 285.365 0.564 0 50 CCAA O=C(O)c1cc(O)cc(NS(=O)(=O)C2CC2)c1 1616035309 WXFXSYXKWIJGEP-UHFFFAOYSA-N 257.267 0.995 0 50 CCAA O=C(NCCN1CCOCC1)c1ccc2c[nH]nc2n1 1775984383 RLXVHWITYHUVNE-UHFFFAOYSA-N 275.312 0.020 0 50 CCAA CN1CCN(C(=O)c2ncc[nH]2)CC12CCOCC2 1775979719 LUPWFGJBGNDCKL-UHFFFAOYSA-N 264.329 0.347 0 50 CCAA COCCCNS(=O)(=O)c1ccc(C)c(N)c1 11737146 HTKSLFFCLOAVSI-UHFFFAOYSA-N 258.343 0.892 0 50 CCAA COCCC(=O)NCc1cccnc1N1CCC[C@@H](O)C1 12000677 SXJHIHMOMPTLBK-CYBMUJFWSA-N 293.367 0.695 0 50 CCAA CCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)CCC3 169681453 RTSAQIIYYRYHBX-UHFFFAOYSA-N 259.265 0.624 0 50 CCAA CC1(C)CN(c2ncnc3n[nH]cc23)C[C@H](CO)O1 643193154 FVNMCSSOFLKTDZ-MRVPVSSYSA-N 263.301 0.329 0 50 CCAA CO[C@@H](C(=O)N1C[C@H](CO)OC[C@@H]1C)c1ccccc1 129315047 KDWNSWSICCVKTP-IACUBPJLSA-N 279.336 0.982 0 50 CCAA COc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)cc1C 1704337189 OGWYRFBGYBYHDK-KGLIPLIRSA-N 290.363 0.950 0 50 CCAA O=C1CC[C@@H](NC(=O)Cc2ccc3ncccc3c2)C(=O)N1 1859451813 NQMFHRGZZCGBMA-CYBMUJFWSA-N 297.314 0.699 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)Nc1cnn(CC(F)(F)F)c1 262330428 SGHKRXJNCWADBY-APPZFPTMSA-N 292.261 0.761 0 50 CCAA O=C(CCOc1ccccc1)N[C@@H]1CCNC[C@H]1O 77453119 NGFSEXSEUPCKTR-CHWSQXEVSA-N 264.325 0.295 0 50 CCAA COc1ccc(OC)c(CNC(=O)N2CC[C@@H](O)C2)c1 426737346 GLRMOKAORYXGIP-LLVKDONJSA-N 280.324 0.980 0 50 CCAA COc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O 318622 SINFCXWPNIJOOG-UHFFFAOYSA-N 286.353 0.549 0 50 CCAA Cn1nc2cccc(NC(=O)[C@@H]3COC(=O)N3)c2n1 2356167282 LYEIGFACFKSPNC-QMMMGPOBSA-N 261.241 0.015 0 50 CCAA NCCN1CCN(c2nccc(C(F)(F)F)n2)CC1 20286872 MSJTXYBMBGJMGM-UHFFFAOYSA-N 275.278 0.576 0 50 CCAA CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606830 WXBUHFMUPAVSBY-SECBINFHSA-N 288.394 0.895 0 50 CCAA O=C(CO)NC[C@@H]1CCN(Cc2ccccc2F)C1 67867806 YNFLXMFYIDZDMH-NSHDSACASA-N 266.316 0.756 0 50 CCAA Cc1nn(C)cc1NC(=O)CN1[C@H]2CC[C@@H]1C[C@H](O)C2 1506398804 GIPLCABBDCGXBM-GDNZZTSVSA-N 278.356 0.655 0 50 CCAA COc1cc(N(C)CCCN2CCOCC2)nc(N)n1 1506417312 IONAYGGZPWFINB-UHFFFAOYSA-N 281.360 0.226 0 50 CCAA CCC1CCC(CNC(=O)CN2C(=O)CNC2=O)CC1 122085009 HCASCZUSYYSSJU-UHFFFAOYSA-N 281.356 0.871 0 50 CCAA COC(=O)CCNS(=O)(=O)c1ccc(F)cc1 37974454 LMUSILCYFRHQFW-UHFFFAOYSA-N 261.274 0.667 0 50 CCAA COc1ccc(F)c(F)c1C(=O)N[C@@H]1CCCNC1=O 219213764 INYXZTCCMOZBCA-MRVPVSSYSA-N 284.262 0.982 0 50 CCAA COc1cccc(CCNS(=O)(=O)c2ccnn2C)n1 360844377 GTMQTJXNGQNFNX-UHFFFAOYSA-N 296.352 0.345 0 50 CCAA CNC(=O)c1nc(CN2CCO[C@H](C(F)(F)F)C2)no1 71721632 PBHOUNPUBCKYBN-LURJTMIESA-N 294.233 0.192 0 50 CCAA CCS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 153620700 QQBUULLILDELHT-UHFFFAOYSA-N 277.367 0.731 0 50 CCAA O=C(O)[C@H]1CC(=O)N(c2cccc3c2OCCO3)C1 217039549 LEBXSIOPVBRFHU-QMMMGPOBSA-N 263.249 0.895 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)N(C)C[C@H](C)C(=O)O 331122120 MPWGJFZWQPTNET-CBAPKCEASA-N 274.342 0.087 0 50 CCAA Cc1nc(CNC(=O)CCN(C)S(C)(=O)=O)cs1 71575650 KXQOAAAQAPBTBA-UHFFFAOYSA-N 291.398 0.349 0 50 CCAA CNC[C@@H](C)C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 237176523 QEOSQRXJRCNCMZ-RISCZKNCSA-N 280.372 0.350 0 50 CCAA CCc1nc(N)sc1C(=O)N(C)CCc1ncon1 216033507 CWJJLFBMSCFJLT-UHFFFAOYSA-N 281.341 0.985 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CCC2CCOCC2)CCO1 262949579 IPPLDSBUZLALDG-NSHDSACASA-N 271.313 0.505 0 50 CCAA CCOC(C)(C)C(=O)N(C)Cc1nncn1CCOC 219041760 AJYNOOYRJPBPMY-UHFFFAOYSA-N 284.360 0.698 0 50 CCAA Cc1ccccc1N1CCN(C(=O)CCO)CC1=O 77524508 OKXUXXPZVADOHR-UHFFFAOYSA-N 262.309 0.553 0 50 CCAA CNC(=O)c1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1 285399811 AXACZKTVCMQDAP-CHWSQXEVSA-N 264.325 0.238 0 50 CCAA CSCc1ccc(C(=O)N[C@@H]2C[C@@H](CO)N(C)C2)o1 220094772 ZKTCWZVWPCDAOT-ZJUUUORDSA-N 284.381 0.937 0 50 CCAA CC(C)Cn1cncc1CNC(=O)CNC(=O)N(C)C 222471273 PVHDTPPFHVXPGC-UHFFFAOYSA-N 281.360 0.427 0 50 CCAA C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H](N)c1ccccc1 178141952 YGKGLLPNHYTSRK-ZYHUDNBSSA-N 282.365 0.332 0 50 CCAA O=C(c1ccn2nnnc2c1)N1CC[C@@H]1C(F)(F)F 615026291 BTSHYPZAJLMCTO-SSDOTTSWSA-N 271.202 0.901 0 50 CCAA Cn1ccnc1CN(CCO)C(=O)[C@]1(C)CCCO1 426589058 OIMJKTZQXMDPNF-ZDUSSCGKSA-N 267.329 0.310 0 50 CCAA Cc1nonc1OCCn1cc([C@H]2CCOC2)nn1 91656946 RJKOBPUBFKKDQZ-VIFPVBQESA-N 265.273 0.552 0 50 CCAA CC(C)Cc1cc(C(=O)N[C@@H]2CCNC2)n(C)n1 91289225 CZIZRLJVEQVNFB-SNVBAGLBSA-N 250.346 0.710 0 50 CCAA CC[C@@H]1C[C@H]1CNC(=O)N1CCC[C@](O)(CO)C1 332170766 MNGZUWUGKGTDHB-NTZNESFSSA-N 256.346 0.561 0 50 CCAA Cc1nn(C)c(C)c1NC(=O)N[C@@H]1C=CS(=O)(=O)C1 96138940 LHTIYKITLPQPFH-SECBINFHSA-N 284.341 0.469 0 50 CCAA Cc1ccc(N2CCC(NS(C)(=O)=O)CC2)nn1 96140030 XIFYKVAHLFAGFQ-UHFFFAOYSA-N 270.358 0.303 0 50 CCAA Cc1ccn(CCc2nc3c([nH]2)CCCNC3=O)n1 95522780 WTTGPSAYQNFWSP-UHFFFAOYSA-N 259.313 0.833 0 50 CCAA CN1C[C@H](NS(=O)(=O)CC2CCCC2)CC1=O 330079703 OMVRJVIKDLGBFU-SNVBAGLBSA-N 260.359 0.327 0 50 CCAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CN(C)CCO1)CC2 239761339 CJPGYOMNFYAXBN-SOUVJXGZSA-N 295.427 0.791 0 50 CCAA C[C@@H](CCC(=O)NCc1nnc(N)s1)N1CCOCC1 534654455 YKQAEBJZSDSIGR-VIFPVBQESA-N 299.400 0.237 0 50 CCAA Cc1cccnc1CCNC(=O)N[C@H](C(N)=O)C(C)C 297604690 SLAJRYFYLJTIPJ-LBPRGKRZSA-N 278.356 0.742 0 50 CCAA C[C@@H](NC(=O)CNC(N)=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 827989702 WSINRCQJODOIIP-JMXNPYCNSA-N 295.383 0.491 0 50 CCAA O=C(CN1CCC[C@@H](O)C1)NCC1(CN2CCCC2)CC1 828627367 HYOPTGAJZYBKNP-CQSZACIVSA-N 295.427 0.435 0 50 CCAA CC(C)c1nc(CCNC(=O)N2CCCNC(=O)C2)no1 584885918 GHEBIOQNZDMKBI-UHFFFAOYSA-N 295.343 0.267 0 50 CCAA CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cn[nH]c2)C1 1875263937 LRLWRJMAUZWTPR-VHSXEESVSA-N 277.284 0.703 0 50 CCAA Cc1conc1C(=O)N[C@H]1CCC(=O)NC12CCC2 888097512 JVYXPQBTAMKCBN-VIFPVBQESA-N 263.297 0.914 0 50 CCAA CCc1cc(NC(=O)[C@H]2CN(C)CCO2)nn1C 1336002088 UVJCKGOVTRHTRY-SNVBAGLBSA-N 252.318 0.252 0 50 CCAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1cn[nH]c1 1565511635 FIMLDOWBZSHPSN-RYUDHWBXSA-N 288.307 0.771 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)c1cnc(C2CC2)nc1O 1565530929 YRDHROIFQKZHDE-QWRGUYRKSA-N 293.323 0.593 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)CC[C@H]2CCCO2)C1 630252739 OPLMXEHPEPWZPM-ZWNOBZJWSA-N 271.313 0.648 0 50 CCAA COc1nccc(NC(=O)N(C)C[C@@H]2CCOC2)n1 276581590 UPEHXSFISBHFQD-VIFPVBQESA-N 266.301 0.985 0 50 CCAA N[C@@H](CC(=O)Nc1ccn([C@H]2CCNC2)n1)c1ccccc1 548019103 YELGQJZOLWXHRP-KBPBESRZSA-N 299.378 1.446 0 50 CCAA CCOc1cnc(C(=O)N2CCC[C@@H](O)C2)cn1 188171684 PFLBMHOLTXSGIN-SECBINFHSA-N 251.286 0.472 0 50 CCAA CC(C)[C@H](CNC(=O)C(=O)NCC1CC1)c1ccnn1C 682685294 PUARHRBSOYIJCM-LBPRGKRZSA-N 292.383 0.802 0 50 CCAA Cc1cc(N2CCN(c3c(N)c(C)nn3C)CC2)ncn1 302589649 WCUBOXUIRFQDBA-UHFFFAOYSA-N 287.371 0.736 0 50 CCAA COc1ncc(CN2CCO[C@H]3CCN(C)C[C@@H]32)c(C)n1 408037461 DUWHWERHBNISEA-KBPBESRZSA-N 292.383 0.699 0 50 CCAA Cn1ncnc1S(=O)(=O)Cc1cccc(F)c1 191078774 CALJNOSBNGNOJO-UHFFFAOYSA-N 255.274 0.928 0 50 CCAA C=CC(=O)N(C)CC(=O)NCCc1c(F)cc(O)cc1F 886270264 XYWKVGDNOXFCJZ-UHFFFAOYSA-N 298.289 0.974 0 50 CCAA CN1CCC[C@@H]1CNc1cc(NCCO)ncn1 1506406203 FCXNHZHQNJZLPN-SNVBAGLBSA-N 251.334 0.387 0 50 CCAA CCNC(=O)[C@@H]1CCN(c2cnc(C(=O)O)cn2)C1 1529094688 JPQHZHFERCULPK-MRVPVSSYSA-N 264.285 0.137 0 50 CCAA O=C1C[C@@H](N2CCC(C(=O)N3CCCCC3)CC2)C(=O)N1 1067871 CSXDMJLTRAAJLN-GFCCVEGCSA-N 293.367 0.126 0 50 CCAA COCCN1CCN(Cc2cnn(C)c2OC)C[C@H]1C 1615586625 WKSXQXSLFHQHNP-GFCCVEGCSA-N 282.388 0.581 0 50 CCAA CC(C)O[C@@H]1N=C(N[N+](=O)[O-])N(C)[C@@H]1OC(C)C 5023299 QNNQJPNPVQXHIJ-DTWKUNHWSA-N 260.294 0.571 0 50 CCAA COC(=O)CCNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 11703287 NXCYTKRWWSZQKH-LLVKDONJSA-N 296.367 0.847 0 50 CCAA CC12CN3CCN(CC(C3)[C@@]1(O)CN1CCCCC1)C2 19774017 FPSGWWDBEHGUOF-GPANFISMSA-N 279.428 0.471 0 50 CCAA O=C(N[C@@H]1CCCCNC1=O)c1cc(C(F)(F)F)n[nH]1 19795122 HBIVIGALXDMTRK-ZCFIWIBFSA-N 290.245 0.827 0 50 CCAA COc1cc(CN2CCNC[C@H]2CCO)cc(OC)c1 19860704 ZLLRZWIJPOZXHJ-CYBMUJFWSA-N 280.368 0.860 0 50 CCAA COc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCCO1 2346343 VBIROYNISPDHLE-LBPRGKRZSA-N 292.335 0.607 0 50 CCAA O=C1OCC2(CCN(C(=O)[C@H]3[C@@H]4CC[C@H]3CN4)CC2)O1 1857702271 GQPGVQJJTGPDDS-GARJFASQSA-N 280.324 0.512 0 50 CCAA O=C(NCCc1cscn1)[C@@H]1CCc2nnnn2CC1 575321828 KUTARDOJUIUMLL-SECBINFHSA-N 292.368 0.441 0 50 CCAA C[C@H]1C[C@@H](C(=O)O)CN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 626776864 DPDGGONERSYZTC-QEYWKRMJSA-N 283.328 0.003 0 50 CCAA CO[C@@H](C(=O)N1C[C@@H](CO)OC[C@H]1C)c1ccccc1 129314415 KDWNSWSICCVKTP-KWCYVHTRSA-N 279.336 0.982 0 50 CCAA CCCc1nc(CN2CC[C@@](O)(Cn3ccnn3)C2)no1 671550933 KGIFKIUZUFXPOB-ZDUSSCGKSA-N 292.343 0.251 0 50 CCAA CCC[C@H](NC(=O)C1CC2(CCNC2)C1)C(=O)O 1875293369 NRJOLOJSLLKFHH-QUNCOHTASA-N 254.330 0.746 0 50 CCAA COC[C@@H]1CNCCN1Cc1ncnn1-c1ccccc1 903881305 QKGQIMSHDMZIMO-AWEZNQCLSA-N 287.367 0.688 0 50 CCAA O=C(CN1CC[C@H](C(=O)O)[C@H](O)C1)Nc1ccccc1 1704300731 VSDZKMHYPFBKHG-NWDGAFQWSA-N 278.308 0.393 0 50 CCAA CCCc1n[nH]c([C@@H]2CN([C@H]3CCOC3=O)CCO2)n1 257366254 PMGBRLBNQXKHHU-UWVGGRQHSA-N 280.328 0.446 0 50 CCAA CO[C@@H]1CN[C@@H](C(=O)NCCCn2nc(C)cc2C)C1 158523788 CXFPGRXBLKJDPS-QWHCGFSZSA-N 280.372 0.383 0 50 CCAA CCNC(=O)N1CCN(C[C@@H](O)C(F)(F)F)CC1 185160904 RMMSAMXOXYSDTQ-MRVPVSSYSA-N 269.267 0.257 0 50 CCAA Cc1ncn(CCNC(=O)c2cccc(N)n2)c1C 584899207 WQOLFYRBKQAYBQ-UHFFFAOYSA-N 259.313 0.907 0 50 CCAA CCc1nn(Cc2noc3c2COCC3)c(=O)n1CC 902756867 GUKCEQINQZCHJE-UHFFFAOYSA-N 278.312 0.736 0 50 CCAA CO[C@@H](C)[C@@H](C)NCC1(O)CN(C(=O)OC(C)(C)C)C1 895205781 HLZANIQMZAAYMM-MNOVXSKESA-N 288.388 0.981 0 50 CCAA O=C(c1cccc(O)n1)N1CCC(N2CC(O)C2)CC1 2100554844 CILSLVMJRUQBCG-UHFFFAOYSA-N 277.324 0.068 0 50 CCAA Cn1nc2c(c1O)CCN(c1nnc(C3CC3)o1)C2 2325802643 RMEZCJLHYDQOJR-UHFFFAOYSA-N 261.285 0.949 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cccc(C(N)=O)c1 344645526 IASHPQLHCNTGTP-QWHCGFSZSA-N 292.335 0.661 0 50 CCAA CCOc1cc(N2CCC(CC(N)=O)CC2)ncn1 136023706 GCUUXGMIZCMLLX-UHFFFAOYSA-N 264.329 0.967 0 50 CCAA CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H]2OC(C)(C)O[C@@H]12 113469961 WNHXYQWRRURBBJ-NAKRPEOUSA-N 274.269 0.358 0 50 CCAA CCN1CCC[C@H](Nc2nc(N)c3cnn(C)c3n2)C1 302567791 PGSQQCMPFFKEKH-VIFPVBQESA-N 275.360 0.842 0 50 CCAA CSc1nnc(CCN2CCN(C)CC2)n1C 22023371 NBZBFMOICVRZMT-UHFFFAOYSA-N 255.391 0.327 0 50 CCAA COCCN1C[C@@H](C(=O)Nc2cnn(C)c2C)CC1=O 177265775 XOHSCQANAAAUOH-JTQLQIEISA-N 280.328 0.162 0 50 CCAA O=S(=O)([C@@H]1CCOC1)N1CCC[C@@H](n2cncn2)C1 329252498 VNYWONCXADUOAK-GHMZBOCLSA-N 286.357 0.034 0 50 CCAA NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccco2)O1 252517553 LJJGZVNOUBUYOS-WDCWCFNPSA-N 278.308 0.532 0 50 CCAA CCN1C[C@H](NC(=O)Nc2nc(C)n(C(C)C)n2)CC1=O 63846234 AAOCPASCPJHTCT-SNVBAGLBSA-N 294.359 0.910 0 50 CCAA C[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)C[C@@H]1N(C)C 229827575 NFEUZXFNEOVLES-MCIONIFRSA-N 284.400 0.981 0 50 CCAA CC(=O)c1ccc(N2CCN(CCC(N)=O)CC2)nc1 32593074 TWLZYXOZZIFANF-UHFFFAOYSA-N 276.340 0.282 0 50 CCAA CN1C[C@@H]2CCCN(S(=O)(=O)c3cncc(F)c3)[C@@H]2C1 425215599 OAWZSXDRQKPMNA-GXFFZTMASA-N 299.371 0.935 0 50 CCAA C[C@]1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCC(=O)NC1 282712541 LFQPSZDNRFXJRV-NOLJZWGESA-N 288.347 0.677 0 50 CCAA COc1cccnc1N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 121356100 JVLQJQCDIYBREO-SNVBAGLBSA-N 277.324 0.921 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 331736042 AZRPZMWIPCZFMK-CHWFTXMASA-N 277.386 0.691 0 50 CCAA CCc1nc(C(=O)NS(=O)(=O)C[C@H]2CCOC2)co1 127264366 GWGJRLZCQRDUAJ-QMMMGPOBSA-N 288.325 0.333 0 50 CCAA CN(C)C[C@@]1(O)CCCN(c2ncccc2C(N)=O)CC1 72153477 NZBXOYMKMULNJE-OAHLLOKOSA-N 292.383 0.464 0 50 CCAA O=S(=O)(C1COC1)N1CCCc2occc2C1 288301373 DENWGDKDOBZEFZ-UHFFFAOYSA-N 257.311 0.756 0 50 CCAA CC(C)OCCCC(=O)N1CCOC[C@H]1C(=O)O 263236396 CYSRAXWXBZKNFU-JTQLQIEISA-N 259.302 0.504 0 50 CCAA Cn1c(O)nc2ccc(C(=O)N3CCC[C@H](N)C3)cc21 334661581 LJOONZDLLSEEJR-JTQLQIEISA-N 274.324 0.842 0 50 CCAA Cc1cc(CN(C)C(=O)[C@@H](C)N2CCN(C)CC2)ccn1 426726752 KAHTUKQZRNNSLH-CQSZACIVSA-N 290.411 0.984 0 50 CCAA C[C@H]1CCCN(CCNC(=O)c2cn(C)cn2)C1 178202844 SJEKEJCYLYUQEB-NSHDSACASA-N 250.346 0.882 0 50 CCAA C[C@H](O)c1ccc(CNC(=O)[C@@H]2CNCCO2)cc1 178433973 VNVYLHCRFQJLMH-GWCFXTLKSA-N 264.325 0.345 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)c1c(C)c(C)c(C)[nH]c1=O 220123398 UBDQVVFVCLLGJD-VXGBXAGGSA-N 294.351 0.834 0 50 CCAA CCn1cnnc1CCNC(=O)C[C@H]1CCCOC1 426556096 ZSXFRCCMIRGTRV-LLVKDONJSA-N 266.345 0.773 0 50 CCAA C[C@@H](c1cnn(C)c1)N(C)C(=O)[C@H]1COCCO1 182621892 BNKQFNUHJBAJEG-GXSJLCMTSA-N 253.302 0.355 0 50 CCAA COCc1cc(CN(C)C(=O)[C@@H]2CC23CCNCC3)n[nH]1 96150235 AWMOHNXJDLHNQD-ZDUSSCGKSA-N 292.383 0.904 0 50 CCAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(CCN)C1 95383067 ORLSARPEBBQNOL-GFCCVEGCSA-N 289.387 0.198 0 50 CCAA CCn1c(C)nnc1CN1CCC[C@H]2C(=O)N(C)C[C@H]21 299741748 FUFXVIWPXXTQFG-VXGBXAGGSA-N 277.372 0.659 0 50 CCAA COc1cc(C)ccc1OCCN1C[C@H](O)[C@@H](N(C)C)C1 252496842 PSVBYFUKCDHGOG-KBPBESRZSA-N 294.395 0.989 0 50 CCAA C[C@H](Cn1ccnc1)NCC1(CN2CCOCC2)CC1 534590733 HEHFKLWAHYTOEQ-CQSZACIVSA-N 278.400 0.974 0 50 CCAA O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cnn[nH]1 534656676 OPFKEBYBAWSNNN-UHFFFAOYSA-N 299.334 0.971 0 50 CCAA COCC1(C(=O)NC[C@H]2CN(C)CCO2)CCC1 367261169 XAGMDPIXMZSKLD-NSHDSACASA-N 256.346 0.250 0 50 CCAA NC(=O)C1(NC(=O)c2cnc(O)cn2)CCCCCC1 299759490 SLXYKPGLJMMBOH-UHFFFAOYSA-N 278.312 0.490 0 50 CCAA Cc1nnc(CNC(=O)CN2CCCCCC2=O)s1 299785279 ZJMCAGBAGLFMSB-UHFFFAOYSA-N 282.369 0.865 0 50 CCAA O=C(COC[C@@H]1CCCO1)N1CCC(C2(O)CC2)CC1 652664981 YTGKUSYJMHKKMW-ZDUSSCGKSA-N 283.368 0.946 0 50 CCAA COc1cccc(C)c1C(=O)N[C@@H]1CCN(C)C1=O 824792385 BBHTZMORRVJQCL-SNVBAGLBSA-N 262.309 0.964 0 50 CCAA CN(C)CC(=N)NOCC(=O)NCc1ccccc1 585136544 KFHSTXJMDXKKQY-UHFFFAOYSA-N 264.329 0.363 0 50 CCAA C[C@@H](CCn1cnc2cccnc2c1=O)N1CCOCC1 584900076 IKYZKYIGKJGHJF-LBPRGKRZSA-N 288.351 0.902 0 50 CCAA Cc1cccc(S(=O)(=O)N2CCN(C)[C@H](CCO)C2)c1 670441187 XQTSPNZFGCACLR-CYBMUJFWSA-N 298.408 0.682 0 50 CCAA CN1CCc2ncnc(N3Cc4c(n(C)[nH]c4=N)C3)c2C1 1875267428 CFQOPRANFDTGGE-UHFFFAOYSA-N 285.355 0.131 0 50 CCAA COc1ncccc1C(=O)N1CC[C@@H](Cc2nn[nH]n2)C1 1875286391 SGYMMPUJBAZMMK-VIFPVBQESA-N 288.311 0.308 0 50 CCAA O=C(N[C@@H]1CCC[C@@H](C(=O)O)C1)[C@H]1CCc2nn[nH]c2C1 1875271211 CBWIQVNZKFJGJM-IVZWLZJFSA-N 292.339 0.669 0 50 CCAA C=CC(=O)N1CC(C(=O)NCc2nc3cccnc3n2C)C1 1875386943 GFFDHJPHDIWOCE-UHFFFAOYSA-N 299.334 0.229 0 50 CCAA O=C(C[C@H]1CCNC1=O)NC1(c2ccccc2)COC1 888561676 BGRZJKHWNNAOPK-LLVKDONJSA-N 274.320 0.555 0 50 CCAA Cc1nc(O)cc(N2CCC[C@H](N3CCNC3=O)C2)n1 892003517 BZJMZCNJAPRXCM-JTQLQIEISA-N 277.328 0.485 0 50 CCAA CCc1cc(N2CCS(=O)(=O)CCO2)nc(CC)n1 1775295046 PSIPWOWDYHJVLL-UHFFFAOYSA-N 285.369 0.768 0 50 CCAA Cn1nc(C(=O)N2C[C@@H](N)C3(CCC3)C2)cc1O 1775962624 WQYPNCGJVNXLTH-SECBINFHSA-N 250.302 0.079 0 50 CCAA CCc1ncncc1C(=O)NC1CCS(=O)(=O)CC1 1776002482 IYELLWUZGUZWMQ-UHFFFAOYSA-N 283.353 0.346 0 50 CCAA O=C(NC[C@@H]1CCc2nccn2C1)[C@@H]1CCCOC1 276282040 NAQRNQPRCRZZFA-NWDGAFQWSA-N 263.341 0.988 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@H]2C[C@H](C)O)CC1 407967253 PTZMPTJPUMBANC-UWVGGRQHSA-N 254.330 0.275 0 50 CCAA COC(=O)[C@H]1CSCN1C(=O)c1ccc(C(N)=O)cc1 408515604 GCRCZQOAPLGBEG-SNVBAGLBSA-N 294.332 0.474 0 50 CCAA OC[C@@H]1CCCN(c2cc(N3CCC[C@@H](O)C3)ncn2)C1 222058222 AIHCIJFXGPRHAW-CHWSQXEVSA-N 292.383 0.646 0 50 CCAA Cc1ccccc1Cc1nnn(CCS(C)(=O)=O)n1 193395917 XRHHATGRWSOYPS-UHFFFAOYSA-N 280.353 0.617 0 50 CCAA C[C@@H]1NCC[C@H]1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 582419076 IUWRBROMLNSJCY-XXILOJSOSA-N 279.315 0.466 0 50 CCAA CC[C@H]1C(=O)NCCN1Cc1cnc(Cl)n1C 585091346 SKHVXEYKJHSCLS-VIFPVBQESA-N 256.737 0.784 0 50 CCAA CC1CCN(C(=O)Cn2cc3c(n2)CCCNC3=O)CC1 585122875 FFYXFEWMRBFDLR-UHFFFAOYSA-N 290.367 0.818 0 50 CCAA CN(C[C@H]1CCOC1)C(=O)c1cc(O)cc(O)n1 611999984 QIOQGFPLOXEQMQ-MRVPVSSYSA-N 252.270 0.601 0 50 CCAA Cc1nccn1CCCC(=O)N1CCNC[C@H]1C 125143097 APNVSDAOIWXXET-LLVKDONJSA-N 250.346 0.792 0 50 CCAA CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)OC2(CCC2)C1 335357470 DDCACWHKJLHINR-ZJUUUORDSA-N 254.330 0.681 0 50 CCAA COC(=O)C(C(=O)OC)n1c(=O)sc2ccccc21 407637 DOJHCILQVMJRCE-UHFFFAOYSA-N 281.289 0.950 0 50 CCAA Cc1cc(=NCCN2CCOC[C@H]2C)[nH]c(C)n1 591018373 RRSVEFDWLHVNCL-LLVKDONJSA-N 250.346 0.648 0 50 CCAA Cn1c(NC(=O)/C=C/c2ccco2)cc(=O)n(C)c1=O 475895 YEKUZUVRBDCPAU-AATRIKPKSA-N 275.264 0.329 0 50 CCAA CN(C)c1ccc(-c2[nH]n(C(N)=O)c(=O)c2CCN)cc1 6658164 SVHUQLABNFMLCQ-UHFFFAOYSA-N 289.339 0.337 0 50 CCAA in-vitro O=C1C[C@H](C(=O)N2CCC(c3nnc(O)o3)CC2)CCN1 1649791633 CXYHKDDNDYAFCH-SECBINFHSA-N 294.311 0.007 0 50 CCAA O=C(N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)c1cc2cccnc2[nH]1 909187544 OSKNDQHQRHKCEB-RTXFEEFZSA-N 297.318 0.864 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(Cc2cccc(C(N)=O)c2)C1 284464159 CZKTWEBOABPPBY-QWHCGFSZSA-N 264.325 0.367 0 50 CCAA C1CC(CN2CCOC3(CCOCC3)C2)CCN1 190156278 NXBOSWQGHYQLNR-UHFFFAOYSA-N 254.374 0.867 0 50 CCAA COc1ccccc1N1CCN([C@H]2CNC[C@@H]2O)CC1 72168167 TUHJMNKIHCYGRO-KBPBESRZSA-N 277.368 0.150 0 50 CCAA C[C@]1(C(=O)O)CCCN1C[C@H](O)CN1CCCC1 311086181 XSJYKYWQZOYHSB-DGCLKSJQSA-N 256.346 0.382 0 50 CCAA CSC[C@H](NC(=O)CCc1cccnc1)C(=O)O 426684559 SZRLTARZYVIVFJ-JTQLQIEISA-N 268.338 0.947 0 50 CCAA Cc1cc(C(C)C)nc(N2C[C@@H](O)C[C@H]2CO)n1 631186957 PVIHTBLWGQMVJS-QWRGUYRKSA-N 251.330 0.840 0 50 CCAA CC(C)C[C@H](CN)CC(=O)OCCCS(C)(=O)=O 585133116 UAVQPWITYFOQQK-NSHDSACASA-N 279.402 0.975 0 50 CCAA Cn1ccc(N2CC[C@@H](NC(=O)CC3CC(CN)C3)C2)n1 2325797551 FOPOSLKVIYVARI-WXRRBKDZSA-N 291.399 0.490 0 50 CCAA CN(C)c1nnc(CNS(=O)(=O)c2ccsc2)o1 2325804079 UMTFMXMEEYDNIG-UHFFFAOYSA-N 288.354 0.676 0 50 CCAA C=CC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 2325883265 MJVBIYCPPUFHHH-UHFFFAOYSA-N 262.313 0.327 0 50 CCAA COc1ccc(CC(=O)N2CC[C@H](N)C2)cc1F 132222518 HUPZVBPYFDEBHL-JTQLQIEISA-N 252.289 0.936 0 50 CCAA Cn1nnc([C@H]2CN(C(=O)CC3CCCC3)CCO2)n1 2356141567 HNYDJEQPARFLBZ-LLVKDONJSA-N 279.344 0.690 0 50 CCAA COC(=O)[C@@H]1C[C@@H](N(C)C)CN1Cc1c[nH]c(C)n1 65370773 XLQPXRGQGKYJLE-NEPJUHHUSA-N 266.345 0.396 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc2ccccc2cn1 67489703 XWBQHYMTVXAYRD-JSGCOSHPSA-N 298.346 0.523 0 50 CCAA CN1CCN(C(=O)c2c[nH]c(=O)[nH]2)C[C@@H]1c1ccccc1 215444604 CYAWVEIFNJSWNX-CYBMUJFWSA-N 286.335 0.832 0 50 CCAA Cc1ccc(NC(=O)C(=O)O)c2c(=O)cc(C(=O)O)[nH]c12 71772789 GJUMWACCYBBYNE-UHFFFAOYSA-N 290.231 0.558 0 50 CCAA Cn1ncc(CN2C[C@H](CO)Oc3ccccc32)n1 377820202 BNXVKMPXZMPMSJ-LLVKDONJSA-N 260.297 0.575 0 50 CCAA Cn1c(CCNC(=O)C2CNC2)nc2ccccc21 72343349 BSXVXHJVAYGLKH-UHFFFAOYSA-N 258.325 0.451 0 50 CCAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cn[nH]c1 216529165 QLSMCDMFPAPGLD-LLVKDONJSA-N 264.329 0.883 0 50 CCAA CN1CCc2n[nH]c(C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)c2C1 77519722 ZGXKGXPKRJNTIW-GXFFZTMASA-N 289.383 0.174 0 50 CCAA Cn1nccc1[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccco1 337957493 HEGTVTIVMITULB-CABZTGNLSA-N 297.336 0.822 0 50 CCAA Cc1ccc(C(=O)N2C[C@H](CO)OC[C@H]2C)n1C 129470220 SEFAORVQDMKUJT-GHMZBOCLSA-N 252.314 0.555 0 50 CCAA COC(=O)[C@@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C 71973336 SCKQPFVBRJQINF-IUCAKERBSA-N 259.302 0.920 0 50 CCAA COC[C@H]1CCN(C(=O)N2CCN(C(=O)N(C)C)CC2)C1 335924589 VWOYHHBDCSZDCE-LBPRGKRZSA-N 298.387 0.374 0 50 CCAA O=C(Nc1ccncc1F)N[C@@H]1CCc2ncnn2C1 133353019 FGRJECQATMHHMI-MRVPVSSYSA-N 276.275 0.949 0 50 CCAA C[C@H]1C[C@H](N2CCCC2)CN1C(=O)CCc1cn(C)nn1 614724707 LEARPZKUESKYDH-JSGCOSHPSA-N 291.399 0.833 0 50 CCAA CCn1nncc1C(=O)N1CCC[C@H](N(C)C)C1 293033441 GLLXZFBIJRQNOD-JTQLQIEISA-N 251.334 0.464 0 50 CCAA Cn1cc([C@@H]2CNCCN2C(=O)c2cccnc2O)cn1 181439853 UEEYEWVBWRIQNG-LBPRGKRZSA-N 287.323 0.307 0 50 CCAA Cc1ccc(N2C[C@@H](C)N(C(=O)CN)CC2=O)cc1 91713609 NOYXCYQHSXUGMC-LLVKDONJSA-N 261.325 0.517 0 50 CCAA CCN1CCN(CC(=O)N2CC(C)(C)[C@@](C)(O)C2)CC1 91908288 ZBQRYWIWTLVPBA-HNNXBMFYSA-N 283.416 0.243 0 50 CCAA CC(C)OCC(=O)N1CCN(c2cccnn2)CC1 299662403 PHKBSSUGYYYAQT-UHFFFAOYSA-N 264.329 0.550 0 50 CCAA COCc1nc(CNC(=O)COC[C@H]2CCCO2)no1 252486632 HNAAWINRQTXEHY-SECBINFHSA-N 285.300 0.028 0 50 CCAA CC[C@@H](C(=O)NCc1nnc(N)s1)N1CCCC1 534578194 XZAKRYPYPQYPOK-QMMMGPOBSA-N 269.374 0.611 0 50 CCAA COCC1CCN(C(=O)N[C@@H](C)c2ncnn2C)CC1 353121478 DVMZNUAGEBMNGP-JTQLQIEISA-N 281.360 0.944 0 50 CCAA O=C(NCC[C@@H]1CCOC1)c1ccc2nnnn2c1 534665491 BHYPEAZBSHBTPQ-SECBINFHSA-N 261.285 0.281 0 50 CCAA O=C1CCCN1CCCC(=O)N1C[C@H]2CC[C@@H](C1)NC2 534649928 IGOUKVSWYGXMNH-STQMWFEESA-N 279.384 0.599 0 50 CCAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCCNCC1 534581614 KFBYYYSRWPUOHP-LLVKDONJSA-N 269.345 0.429 0 50 CCAA O=S(=O)(NC[C@H]1CCN(C2CCCC2)C1)c1cn[nH]c1 534673608 BRORMIUDQXGEHE-LLVKDONJSA-N 298.412 0.953 0 50 CCAA COc1ccc(C)nc1N1CC2(CNC(=O)N2C)C1 1857667421 IGYJKZKXLFOFGO-UHFFFAOYSA-N 262.313 0.612 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCCCc2ccco2)C[C@H]1O 1857720730 HIJPSYVTABEZRU-MVWJERBFSA-N 252.314 0.427 0 50 CCAA CN(C)C(=O)N1CCN(Cc2ccn(C)c(=O)c2)CC1 643090733 PUUHEONFJCCCGS-UHFFFAOYSA-N 278.356 0.185 0 50 CCAA Cn1c(S(=O)(=O)NCc2cnoc2)cnc1Cl 585134628 CQRIPJOPTPWZBC-UHFFFAOYSA-N 276.705 0.540 0 50 CCAA C[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1)Oc1ccccc1Cl 269210081 AFSZLTVWMMTXOQ-FOGDFJRCSA-N 298.770 0.946 0 50 CCAA Cc1nccn1C[C@H]1CCCN(C(=O)Cn2cnnn2)C1 584892292 CNIMHZLUYLTDPF-GFCCVEGCSA-N 289.343 0.117 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC[C@H](C(=O)OC)C1 269396319 ANTMBBTUOQIRKM-JTQLQIEISA-N 268.313 0.090 0 50 CCAA CS(=O)(=O)NC(=O)c1cccc(Oc2cnccn2)c1 1875391056 WDIJKQASNCMGDZ-UHFFFAOYSA-N 293.304 0.958 0 50 CCAA Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1nc(O)n[nH]1 1875255883 KTRGQWUTQWNAJY-ZCFIWIBFSA-N 278.316 0.345 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)NCCC1CCOCC1 886075175 DFCYNYONIHWGCL-ZDUSSCGKSA-N 298.383 0.293 0 50 CCAA O=C(Cn1cncn1)N1CCOc2ccccc2[C@@H]1CO 887107292 FHFLGDSRUWFHRF-LBPRGKRZSA-N 288.307 0.233 0 50 CCAA Cn1cccc1CNC(=O)[C@H]1CC[C@H](C(=O)O)N1C1CC1 888102041 VLOLTEBHMGVUGF-CHWSQXEVSA-N 291.351 0.721 0 50 CCAA Cc1nnccc1C(=O)N[C@@H](C)c1nnc2n1CCC2 1772902181 GMSUPSUUSQPCDW-VIFPVBQESA-N 272.312 0.814 0 50 CCAA CCN(CC)CC(=O)N[C@H]1CCO[C@@H]1c1nccn1C 275366067 OPWODMGYXPWLKL-AAEUAGOBSA-N 280.372 0.708 0 50 CCAA O=C(NC[C@H]1CCn2ccnc2C1)[C@H]1CCCOC1 583624006 XDKYATNWMYZIHE-RYUDHWBXSA-N 263.341 0.988 0 50 CCAA C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 585084943 HEDOLONYGDEANB-RYPNDVFKSA-N 294.395 0.876 0 50 CCAA Cc1c[nH]cc1C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 585087599 QPTFTUZQBXKXHZ-GRYCIOLGSA-N 260.297 0.624 0 50 CCAA CCc1nnc(N2CCO[C@@H](CN(C)C)C2)nc1CC 302749147 TYOMTHFARMXBRB-NSHDSACASA-N 279.388 0.763 0 50 CCAA C[C@@H]1CN(c2ncnc3[nH]c(=N)ccc23)[C@H](C)CN1C 408434357 GCLYSRPILNEXHG-NXEZZACHSA-N 272.356 0.966 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)[C@@H](C)n1cccn1 643853132 SWHZPCWCBGZICN-MFKMUULPSA-N 281.312 0.536 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)NCc1ccoc1 644326080 HCFZJEFNFRFXMR-LLVKDONJSA-N 266.297 0.269 0 50 CCAA O=C(NN1CCOCC1)c1csc(-c2cnccn2)n1 225390198 LCLRKGJDIRLRFP-UHFFFAOYSA-N 291.336 0.577 0 50 CCAA CC(C)Cn1nccc1C(=O)N1CCOC[C@H]1C(=O)O 564978771 OWKXPUOZGCJOSX-NSHDSACASA-N 281.312 0.465 0 50 CCAA CCN(C[C@@H]1CCOC1)C(=O)c1c[nH]nc1[C@H]1CCNC1 662424256 SDRSLYNATRQTPU-RYUDHWBXSA-N 292.383 0.985 0 50 CCAA CN(CCn1cccn1)C(=O)[C@H]1CC12CCNCC2 96152717 KYKXYFRJZJGKDI-GFCCVEGCSA-N 262.357 0.731 0 50 CCAA CCN(CCN1CCOCC1)Cc1noc(C)n1 1529158404 CBLGRFVQDJIOOP-UHFFFAOYSA-N 254.334 0.532 0 50 CCAA COc1ccc(NC(=O)C(=O)NC2CC2)cc1OC 4838179 LNZBTIJWVMJRMW-UHFFFAOYSA-N 264.281 0.921 0 50 CCAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)[C@H]1COCCN1 236636057 LXBFHAQJBCDGRC-UTUOFQBUSA-N 270.373 0.685 0 50 CCAA CC(C)[C@H](N)C(=O)Nc1cc(C(=O)N(C)C)ccn1 236789517 AAJLQZYHFAOOSS-NSHDSACASA-N 264.329 0.705 0 50 CCAA CC[C@@H](C)OCC(=O)N1CCC([C@@H](O)C(=O)OC)CC1 443879151 FKGDBXNOYXATBD-ZWNOBZJWSA-N 287.356 0.574 0 50 CCAA O=C(O)[C@H]1CCN(Cc2ccccc2OCCO)C[C@H]1O 1704307875 KZLKOMGLIBLISO-QWHCGFSZSA-N 295.335 0.325 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CCC3(C2)OCCO3)CC1 1875369414 MQQWIUOAHYWXKE-UHFFFAOYSA-N 294.351 0.386 0 50 CCAA Cc1ccc(S(=O)(=O)N(CCO)C[C@H](C)O)cc1 393912 WWOVSKZHPUOOJS-NSHDSACASA-N 273.354 0.359 0 50 CCAA CC(=O)N(C[C@H]1CCCN1Cc1nnnn1C)C1CC1 364718581 WRZLMRQOZAECQE-GFCCVEGCSA-N 278.360 0.185 0 50 CCAA COc1c(C(=O)N[C@H](C)c2ccon2)cnn1C 1615621969 PLCNUVHFXVFWHY-SSDOTTSWSA-N 250.258 0.908 0 50 CCAA Cc1nnc2n1C[C@H](CNC(=O)c1onc3ncccc13)C2 1772709573 IDNNGUZQJJQEFI-VIFPVBQESA-N 298.306 0.725 0 50 CCAA CN1C[C@@H](CN2CCC3(CC2)CNC(=O)O3)CCC1=O 1775977866 MVGRQEAMDGOYJO-NSHDSACASA-N 281.356 0.429 0 50 CCAA CS(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 262170 SBDOTKOQBIYUCQ-UHFFFAOYSA-N 260.359 0.280 0 50 CCAA Cc1ccc(CNC(=O)C(=O)NCCCN(C)C)cc1 2857795 WRPRBDSUJGXICW-UHFFFAOYSA-N 277.368 0.679 0 50 CCAA CC(C)n1cncc1CN1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857723385 DLQJZKLWVBOXFS-HIFRSBDPSA-N 290.367 0.997 0 50 CCAA C[C@H]1CNCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 126265554 JDZBLTMHFRINQS-JTQLQIEISA-N 289.314 0.840 0 50 CCAA COCCOc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2)c1 237185565 NCETYZLCWMGOSS-GXTWGEPZSA-N 294.351 0.051 0 50 CCAA CCCNC(=O)c1cc(S(N)(=O)=O)ccc1OC 16639968 ZMHQBTVOOPUSBO-UHFFFAOYSA-N 272.326 0.482 0 50 CCAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1cccnc1 226579381 ICXOFXLAPGLSDF-ZNSHCXBVSA-N 262.265 0.898 0 50 CCAA O=C(CN1CCOCC1)NCC1(O)CCCCC1 305736754 YANQXNAOEVNCHQ-UHFFFAOYSA-N 256.346 0.130 0 50 CCAA COc1cccc(CCC(=O)N2CCOC[C@@H](O)C2)c1 77303345 JXWKDULUFJZRLT-ZDUSSCGKSA-N 279.336 0.848 0 50 CCAA COc1cc(C(=O)O)ccc1S(=O)(=O)N(C)CCF 906995871 HNCGXPHOPBJRFI-UHFFFAOYSA-N 291.300 0.983 0 50 CCAA O=C(O)[C@H]1C[C@@H]2C[C@H](NS(=O)(=O)C3CC3)[C@@H]2C1 903538985 YSSYLGNNKRPCMW-KDDQHCCQSA-N 259.327 0.568 0 50 CCAA CC1(C)[C@H](CN)C[C@H]1NC(=O)c1cccn2c(O)nnc12 2325854654 OJQQRWVBVFUDLK-WCBMZHEXSA-N 289.339 0.538 0 50 CCAA C[C@H](C(=O)O)C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 900470021 QTJCFIYCNMQBKY-CNUIFLNQSA-N 255.270 0.276 0 50 CCAA O=C(Nc1ccn2ccnc2c1)N1CCNCCNCC1 926105722 JDBFDTAFXHYCMF-UHFFFAOYSA-N 288.355 0.361 0 50 CCAA CC(=O)N1CCC[C@H](c2nnc3n2CCOCC3)C1 2356168728 CSILNLINUQXLTG-NSHDSACASA-N 264.329 0.577 0 50 CCAA C[C@H]1OCCN(S(C)(=O)=O)[C@@H]1c1nc(C2CC2)no1 343498062 YPCWZKWRXPUQJT-APPZFPTMSA-N 287.341 0.668 0 50 CCAA CCn1nc(C)c(C(=O)CC(=O)C(=O)OC)c1C 100783064 XDRZMUAIZAERBR-UHFFFAOYSA-N 252.270 0.835 0 50 CCAA CC(C)(C(=O)NOCC(F)(F)F)S(C)(=O)=O 135217965 KFFPKQKUZHYDKE-UHFFFAOYSA-N 263.237 0.420 0 50 CCAA C[C@@H]1CN(CCNC(=O)[C@H]2CCCO2)C[C@@H](C)O1 229076284 NNYGXLLMODKWFG-IJLUTSLNSA-N 256.346 0.391 0 50 CCAA Cc1cnn(CC(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c1 439724292 ZSANKHKOUHRVJS-UHFFFAOYSA-N 291.311 0.846 0 50 CCAA CC(=O)N1CCC[C@H]1c1nc(CN2CCN(C)CC2)no1 67789563 OYACNADQBUGLIZ-LBPRGKRZSA-N 293.371 0.500 0 50 CCAA Cc1nc2nnc3c(=O)n(-c4ccccc4O)ccc3n2n1 67640837 ILGOOTRXSTYQAC-UHFFFAOYSA-N 294.274 0.837 0 50 CCAA CN1CC[C@@H]2CN(C(=O)N[C@@H](CN)C3CC3)C[C@@H]21 333864563 SRSQESNRSVOYSK-WOPDTQHZSA-N 252.362 0.069 0 50 CCAA COCc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)ccc1F 261946614 NQWVFSIVHSERJS-YGRLFVJLSA-N 296.342 0.965 0 50 CCAA CN(C(=O)CN1CC[C@@](C)(CN)C1)c1nccs1 261921375 YSGWQWIMYVILAR-LBPRGKRZSA-N 268.386 0.777 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1C(=O)COCC(F)(F)F 375071695 QHFNBRGLWIJKPJ-YUMQZZPRSA-N 272.242 0.724 0 50 CCAA CCN1CCO[C@@H](C(=O)N2CCCC[C@H]2CN)C1 262556439 YYLOIHDFBXUYLH-NWDGAFQWSA-N 255.362 0.047 0 50 CCAA COc1cccc(S(=O)(=O)N[C@H](C)CC(=O)O)c1 130516850 GXWZPSFVKCPRFJ-MRVPVSSYSA-N 273.310 0.837 0 50 CCAA COc1ccnc(C(=O)N[C@H]2CCC(=O)N(C)C2)c1 134010815 YWDQXHNRIIWDOJ-VIFPVBQESA-N 263.297 0.441 0 50 CCAA CCCN(CC1CC1)C(=O)CC[C@@H]1NC(=O)NC1=O 41958135 XMIGGGNPUQIIDV-JTQLQIEISA-N 267.329 0.623 0 50 CCAA CC[C@@H](C(=O)N[C@H](C)c1nc[nH]n1)N1CCCC1=O 176748552 XCZJUYNIHWOOSD-BDAKNGLRSA-N 265.317 0.383 0 50 CCAA CCNC(=O)N1CCN(C(=O)c2cc(C)nc(O)c2)CC1 179738929 YSACJTGGXVNKDR-UHFFFAOYSA-N 292.339 0.583 0 50 CCAA CCn1nncc1CNC(=O)Nc1cnc(N(C)C)nc1 529027714 GNPCPCSITBNLOS-UHFFFAOYSA-N 290.331 0.476 0 50 CCAA O=C(NCc1ccc2nonc2c1)[C@@H]1CCS(=O)(=O)C1 426623248 PMHITLUZFZPIBB-SECBINFHSA-N 295.320 0.274 0 50 CCAA O=C1OCCCN1CCNc1cc([C@@H]2CCOC2)ncn1 426641488 IPXUOANICAXTQB-LLVKDONJSA-N 292.339 1.235 0 50 CCAA CCc1nccn1CCNC(=O)[C@@H](C)NC(=O)OC 223300740 UVBTZWFNGGEWPG-SECBINFHSA-N 268.317 0.306 0 50 CCAA CCOCCN1CCN(C(=O)NCc2ccon2)CC1 426574947 CUCTWLNSUUHRLY-UHFFFAOYSA-N 282.344 0.538 0 50 CCAA CC[C@H]1CCCCN1CC(=O)NC1(C(=O)O)CC1 426440244 GUVVVPBKKJZUDK-JTQLQIEISA-N 254.330 0.984 0 50 CCAA CCN1CCC[C@@H]1CSc1nnc(CN)n1C 426440319 QSGRDFROIVOUPD-SECBINFHSA-N 255.391 0.850 0 50 CCAA COC(=O)c1ccc2ccn(C[C@@H](O)CO)c(=O)c2c1 95382183 VRIGTMLXVZKDGK-LLVKDONJSA-N 277.276 0.141 0 50 CCAA CC1=NO[C@@](C)(C(=O)NCCCn2ccnn2)C1 244626609 FPAIXLHSKXJOQR-LLVKDONJSA-N 251.290 0.339 0 50 CCAA COCCN(C)CC(=O)NCc1c(C)noc1C 244817077 SUAKANIHCPMQDR-UHFFFAOYSA-N 255.318 0.486 0 50 CCAA Cn1cc([C@@H](NC(=O)c2cnccn2)[C@H]2C[C@H](O)C2)cn1 244866723 WBHSTDMJPQQGHH-GAFUQQFSSA-N 287.323 0.452 0 50 CCAA CCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(CCCOC)C(=O)[C@H]13)O2 244734784 NLUZJOIRSXXCLK-YXMPFFBPSA-N 295.335 0.368 0 50 CCAA Cc1ccn(CCN2C[C@@H]3CCC[C@H](C2)C(=O)N3)n1 244659405 HCCDRUDYQNTERZ-OLZOCXBDSA-N 262.357 0.792 0 50 CCAA O=C(CN1CCO[C@@]2(CCOC2)C1)NCc1cccnc1 185153654 OGPQCHKSJUNNSP-HNNXBMFYSA-N 291.351 0.189 0 50 CCAA COCc1noc(CNC(=O)c2cn3cccnc3n2)n1 534576759 YRYDJJMQZKIOAC-UHFFFAOYSA-N 288.267 0.189 0 50 CCAA CC(C)[C@@H](CNC(=O)c1[nH]nc(N)c1Cl)N(C)C 534647359 RMFXZADNFYJXGL-SSDOTTSWSA-N 273.768 0.961 0 50 CCAA CC1=NO[C@@](C)(C(=O)N2CCc3c(O)nc(C)nc3C2)C1 299755835 FNYATPOUSAOAIJ-CQSZACIVSA-N 290.323 0.930 0 50 CCAA CCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1nccn1C 395329475 AVAFXKYZVRIKOT-WPRPVWTQSA-N 251.286 0.804 0 50 CCAA CC1(C)C(=O)NC(=O)N1CC(=O)NCCC1(O)CCCC1 584892981 DQXODJVPLQNOFZ-UHFFFAOYSA-N 297.355 0.128 0 50 CCAA Cc1csc2c(=O)n(C[C@H]3CN(C)C(=O)CO3)cnc12 584891220 AJNFLTBUKQKPBG-SECBINFHSA-N 293.348 0.624 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)N(C)Cc1ncon1 823819892 SGRQHMUAJBBCJM-UHFFFAOYSA-N 283.332 0.516 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)NCC1(CO)CCC1 584891040 LSESWRMDXQNCGH-NSHDSACASA-N 288.413 0.523 0 50 CCAA CN(C)CC1(O)CCN(C(=O)[C@@H]2CCCCCN2C)CC1 670458527 AFNKFQRZLIHHGL-AWEZNQCLSA-N 297.443 0.776 0 50 CCAA CNC(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1 165498606 BTDLWTFXPAFYCU-GFCCVEGCSA-N 290.319 0.983 0 50 CCAA N[C@@H]1CNC[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C1 757213239 PLIAAMRPHXVDHD-DOLQZWNJSA-N 251.296 0.854 0 50 CCAA CN1C[C@](C)(CNC(=O)c2cc(O)nc(C3CC3)n2)C1=O 1875370176 DZIACIBPQPVRKZ-AWEZNQCLSA-N 290.323 0.268 0 50 CCAA CC1CC(CS(=O)(=O)N2CCC(CC(N)=O)CC2)C1 952877750 UWEZBKDMLNEZCI-UHFFFAOYSA-N 288.413 0.950 0 50 CCAA CCCNC(=O)Cc1noc([C@@H]2CCCc3nn[nH]c32)n1 952894723 PRWBSCOLOWMEIH-MRVPVSSYSA-N 290.327 0.725 0 50 CCAA O[C@@H]1CN(Cc2cnc(N3CCCCC3)nc2)C[C@H]1F 952981576 MNDZJJBTXAREBP-CHWSQXEVSA-N 280.347 0.982 0 50 CCAA C[C@H](O)C(=O)N1CCC(CNC(=O)C2CCC2)CC1 952964581 OGQDWCUXLQYWJW-JTQLQIEISA-N 268.357 0.522 0 50 CCAA Cc1noc(C[C@]2(O)CCCN(Cc3ncc[nH]3)C2)n1 888077230 VFQVWLUIWVDFPJ-CYBMUJFWSA-N 277.328 0.671 0 50 CCAA OC[C@H]1CCCN1Cc1cn(Cc2ccon2)nn1 630597841 GKYIANCAQZOVAY-GFCCVEGCSA-N 263.301 0.271 0 50 CCAA C=CC(=O)N1CCC[C@@H](Cn2cc(C(=O)NC)nn2)C1 1776005249 BZVRBVBJXZEYPD-SNVBAGLBSA-N 277.328 0.062 0 50 CCAA Cc1cnc(N2CC[C@H](O)[C@@H](C(=O)O)C2)nc1N(C)C 1529198641 IWYPWGDUVZWZQA-UWVGGRQHSA-N 280.328 0.123 0 50 CCAA O=C(CCn1cncn1)N[C@H]1CCOC[C@@H]1OCC1CC1 1565529369 PRYDHPBNQJLOTD-STQMWFEESA-N 294.355 0.369 0 50 CCAA CCc1cc(N2CCC[C@@](O)(CN(C)C)C2)ncn1 631344541 RQVVUOBSKROIRT-CQSZACIVSA-N 264.373 0.932 0 50 CCAA C[C@H]1CCS(=O)(=O)CCN1CC(=O)NCC1CCC1 170614511 RQCOHCHPGGBNED-NSHDSACASA-N 288.413 0.412 0 50 CCAA Cc1noc(C)c1CC(=O)N1CC[C@](C)(O)[C@@H](O)C1 96142304 XYVQHUCGTYZOJM-AAEUAGOBSA-N 268.313 0.178 0 50 CCAA NC(=O)c1ccc(OCC(=O)N2CC(C(F)F)C2)cc1 677915149 FZVNOCRCXOEEOM-UHFFFAOYSA-N 284.262 0.888 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)CC(F)(F)F 643953311 PHIHKKWNNSZOPY-JTQLQIEISA-N 282.262 0.692 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2c[nH]cc2C)C1 644035714 XBOAUHBPPXOXJA-CQSZACIVSA-N 279.340 0.426 0 50 CCAA CSC[C@H](C)C(=O)NCc1nnc(O)n1C1CC1 585130303 MQPHCHMRSASLEI-ZETCQYMHSA-N 270.358 0.934 0 50 CCAA NC(=O)Nc1cccc(NC(=O)C2(n3cnnn3)CC2)c1 665837005 MASOXZLRRIRJJU-UHFFFAOYSA-N 287.283 0.292 0 50 CCAA CNC(=O)Cc1cnc(NC(=O)c2cnoc2C)s1 1875244776 UOCDGFZNEBPNRY-UHFFFAOYSA-N 280.309 0.980 0 50 CCAA Cn1c(=O)[nH]c(=O)c2ccc(Br)cc21 205302796 UMHHDXUCBLSXFL-UHFFFAOYSA-N 255.071 0.989 0 50 CCAA CN(C)S(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccccc1 211414088 FKOZCHYLXIBZCZ-OLZOCXBDSA-N 296.392 0.798 0 50 CCAA CCc1c(C)noc1NC(=O)CCNS(C)(=O)=O 1529153504 CMBNJHFDVDPCJY-UHFFFAOYSA-N 275.330 0.423 0 50 CCAA Cc1ncc(CN(CCO)Cc2cnc(C)[nH]2)cn1 1704340151 OUSLELUNXNJDCW-UHFFFAOYSA-N 261.329 0.811 0 50 CCAA C[C@]12C[C@@H]1CN(C(=O)c1cnc(N3CCOCC3)nc1)C2 1772813066 UUMJHVBRJVXKLI-IUODEOHRSA-N 288.351 0.795 0 50 CCAA O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N1CCCO1 15075097 KBRCMAQHLCXJKW-LBPRGKRZSA-N 293.323 0.134 0 50 CCAA CO[C@@H]1[C@@H]2CCC[C@H]2[C@H]1NC(=O)c1cc(O)n(C)n1 1857533078 BIHRJLRKJZWATE-GAJNKVMBSA-N 265.313 0.669 0 50 CCAA O=C1C[C@H]2CN(Cc3cn(-c4ccccc4)nn3)C[C@H]2N1 1857741592 ZSULAOFRTLUBQN-SMDDNHRTSA-N 283.335 0.588 0 50 CCAA NC(=O)c1cc(C(=O)NC[C@H](O)c2ccccc2)c[nH]1 919743817 ZFYZAEZGNNIMRX-LBPRGKRZSA-N 273.292 0.577 0 50 CCAA Cc1cnc(CN2CCN(c3n[nH]c(C)n3)CC2)nc1 931628015 JRYORZMHJJHCJO-UHFFFAOYSA-N 273.344 0.534 0 50 CCAA O[C@H](CN1CCO[C@@H]2CCCC[C@H]21)Cn1cccn1 230198425 AWOHLRJBHMHKEK-MGPQQGTHSA-N 265.357 0.887 0 50 CCAA Cc1nscc1C(=O)N1CCO[C@H](C(=O)O)C1 190976110 NKESMXPGFICGOB-QMMMGPOBSA-N 256.283 0.377 0 50 CCAA C[C@H](O)CN1CCN(c2ccnc(N(C)C)n2)CC1 330365445 MESULRDLRQAGSZ-NSHDSACASA-N 265.361 0.045 0 50 CCAA Cc1[nH]nc2c1CN(C(=O)[C@@H]1CCS(=O)(=O)C1)CC2 426389617 KBLVCVZKGQJNHS-SECBINFHSA-N 283.353 0.038 0 50 CCAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CCS(=O)(=O)C1 426368474 ZSWXVWDPNWWXOX-LLVKDONJSA-N 299.396 0.510 0 50 CCAA NC1(C(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)CC=CC1 2325801507 LMWFRGXXWUZSBZ-YNEHKIRRSA-N 290.367 0.186 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H](COC)C1 859368222 WGQZGLCSJRZAFF-LLVKDONJSA-N 254.330 0.516 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CCNC(=O)CN2)CC1 2325712155 YJSMUXASBLDSKT-UHFFFAOYSA-N 283.372 0.866 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)O)cc1 216088 WJPNHFVXBVQRJG-UHFFFAOYSA-N 286.309 0.398 0 50 CCAA Cc1nn(C)c(C)c1CC(=O)N1CC(=O)NCC1(C)C 281837863 ALWMPYQJVDQUSC-UHFFFAOYSA-N 278.356 0.316 0 50 CCAA O=C(CO)NC[C@H]1CCN(Cc2cccc(O)c2)C1 67756925 SUWLRNXIJNPLJI-GFCCVEGCSA-N 264.325 0.323 0 50 CCAA Cc1oc2ncnc(NCc3n[nH]c(=O)[nH]3)c2c1C 119513566 YPZRIBYPERVZRZ-UHFFFAOYSA-N 260.257 0.863 0 50 CCAA Cc1nn2c(SCCOCC(F)F)nnc2nc1O 252481462 CMOAWLYOOFBPHQ-UHFFFAOYSA-N 291.283 0.907 0 50 CCAA C[C@H]1CNCCN1C(=O)c1ccc(C(N)=O)s1 126413067 YJBYQGSENHBDBF-ZETCQYMHSA-N 253.327 0.281 0 50 CCAA C[C@@H]1C[C@H](C(=O)Nc2ccc(-n3nnnc3O)cc2)CO1 329316699 HQRWSVTYFFCPLY-BDAKNGLRSA-N 289.295 0.731 0 50 CCAA CCN1CCO[C@H](C(=O)N[C@H](CC(C)C)C(=O)O)C1 236846280 IKTWAGVWUWVAQK-MNOVXSKESA-N 272.345 0.323 0 50 CCAA Cc1c[nH]c(=NCCN2C[C@@H]3CC[C@H](C2)O3)nc1C 333752183 XXYFZEMSLHDQNU-BETUJISGSA-N 262.357 0.790 0 50 CCAA O=S(=O)(c1ccsc1)N1CC[C@@H]2CNC[C@@H]21 334983490 NFVMPJVKYSDTPY-SCZZXKLOSA-N 258.368 0.731 0 50 CCAA Cc1cccn2cc(CNC(=O)[C@H]3NCCO[C@@H]3C)nc12 262274464 NGPGIQGXOOCVIB-YPMHNXCESA-N 288.351 0.636 0 50 CCAA Cc1ncsc1CCN(C)C(=O)c1cc(=O)[nH]c(O)n1 72477395 HTVUFKVUXUBXNJ-UHFFFAOYSA-N 294.336 0.555 0 50 CCAA CS(=O)(=O)CCC(=O)N(CCO)Cc1ccccc1 47872940 RUPLQCRTKFTGHD-UHFFFAOYSA-N 285.365 0.442 0 50 CCAA CC(=O)Nc1cc(C(=O)N2CCC[C@@H]2CO)ccn1 528899651 CWTXYKHBMUZPNX-LLVKDONJSA-N 263.297 0.637 0 50 CCAA CN1CCN(c2cc(-c3ccncc3)nc(N)n2)CC1 40950511 UXMHBPBQYFDGNA-UHFFFAOYSA-N 270.340 0.873 0 50 CCAA CCN1CCO[C@H](C(=O)Nc2ccc3nncn3c2)C1 179646239 UJIMSHYBWPPKJA-NSHDSACASA-N 275.312 0.389 0 50 CCAA COc1ccc(C2(C(=O)N[C@@H]3CCNC[C@H]3O)CC2)cc1 220354262 XBCNHUGQOJSNLC-ZIAGYGMSSA-N 290.363 0.566 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cnco1 223341509 HRNAREVCLINOJM-URPMGSGRSA-N 252.270 0.454 0 50 CCAA Cc1cc(CC(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)on1 221237404 FGRXMMGOHCGTOX-CQSZACIVSA-N 293.323 0.969 0 50 CCAA CN1CCC[C@@H](C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)C1 223967779 YOUVHECRDYPZEV-LLVKDONJSA-N 288.351 0.814 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccn2nnnc2c1 220684862 RBTHUMPEKMRBJG-GHMZBOCLSA-N 291.311 0.048 0 50 CCAA Cc1nnc(SCCNC(=O)N2CCOCC2)s1 426479689 IFIHBPHDMITNKQ-UHFFFAOYSA-N 288.398 0.980 0 50 CCAA Cc1nnsc1C(=O)N1CC[C@@]2(O)CCNC[C@H]2C1 91908413 IDIVKPHFVSAJCE-CABZTGNLSA-N 282.369 0.033 0 50 CCAA CN1CCC[C@H]1CCNC(=O)c1cccn(C)c1=O 97272556 CRWARHISKIXNFE-NSHDSACASA-N 263.341 0.599 0 50 CCAA CC(=O)N1CCCN([C@@H](C(=O)O)c2c(C)noc2C)CC1 95387139 QVQWSWWUHYVLOZ-CYBMUJFWSA-N 295.339 0.971 0 50 CCAA O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1CCCN1 182171979 RPAJSBXPQWENCN-HNNXBMFYSA-N 288.395 0.914 0 50 CCAA CCC(=O)N1CCN(C(=O)C2(OC)CCOCC2)C1 333462067 GQYZSQWYBCOWRL-UHFFFAOYSA-N 270.329 0.220 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N1CC[C@@H]1C(=O)O 95503331 RBAAHIOBAGTYEL-SECBINFHSA-N 264.285 0.150 0 50 CCAA O=S1(=O)CCC(Cc2nc([C@@H]3CCOC3)no2)CC1 96137430 LAHAYYGQLNLGBB-SNVBAGLBSA-N 286.353 0.941 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(O)cc4)C(=O)[C@H]13)O2 247390529 LGMIDFONWNZNQJ-FJJYHAOUSA-N 287.271 0.763 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCN(Cc2ccc(F)cc2)CC1 534667865 MFMLMHCUTBOUBR-HNNXBMFYSA-N 289.354 0.998 0 50 CCAA CSCCC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299798726 SEEIFAWNLATQDA-QWRGUYRKSA-N 282.369 0.703 0 50 CCAA Cc1n[nH]nc1C(=O)N(C)C[C@@H]1CCN(C(C)C)C1 299792168 DFNDYTDCWCQGNN-NSHDSACASA-N 265.361 0.915 0 50 CCAA Cn1nccc1C(=O)NC[C@@H]1CCC2(CCNCC2)O1 299787918 YVJIABOTRMIQQO-NSHDSACASA-N 278.356 0.451 0 50 CCAA COCCC(=O)N1CCC(CNC(=O)c2ccon2)CC1 824372121 IEONOTISAXBWCL-UHFFFAOYSA-N 295.339 0.680 0 50 CCAA CC(C)N1CCC(CC(=O)N2CC[C@H](O)[C@H](O)C2)CC1 828895306 ZCRSBBFREVJDTD-UONOGXRCSA-N 284.400 0.451 0 50 CCAA CN(Cc1c[nH]nc1C(=O)O)C[C@H]1CCCN(CCO)C1 828760502 ZWZNKWWQURCMAA-LLVKDONJSA-N 296.371 0.244 0 50 CCAA COCCN1CC[C@@H](CNC(=O)c2cccc(O)n2)C1 824412491 YCMSGSZTTIMTNC-NSHDSACASA-N 279.340 0.485 0 50 CCAA COCCN1CC[C@H](CNC(=O)c2cccc(O)n2)C1 824412490 YCMSGSZTTIMTNC-LLVKDONJSA-N 279.340 0.485 0 50 CCAA COCCCn1cnnc1CNC(=O)c1ccncc1C 584885524 NNZYRWNQVNHOCG-UHFFFAOYSA-N 289.339 0.948 0 50 CCAA CC(=O)c1cc(CN2CCO[C@@H](C(=O)N(C)C)C2)n(C)c1 584900746 JEPKUACGCVUDFG-CQSZACIVSA-N 293.367 0.517 0 50 CCAA CC(C)[C@H](O)C(=O)NCC1(N(C)C)CCN(C)CC1 584896503 KSDDBRWQCVPYIK-LBPRGKRZSA-N 271.405 0.146 0 50 CCAA COCCN1CC[C@H](CN(C)C(=O)CSC)C1 584888860 RGRHJBJNKHMFRG-LLVKDONJSA-N 260.403 0.776 0 50 CCAA CN(C)c1nc(N[C@H]2COC[C@@H]2O)cc(C(F)(F)F)n1 584889022 QKHFHGJQADYYHZ-BQBZGAKWSA-N 292.261 0.733 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCN1CCCC1=O 584900955 DXLZACYTESLSAS-STQMWFEESA-N 297.399 0.223 0 50 CCAA C[C@H](CN1CCN(C)CC1)NCCCn1ccccc1=O 670442557 TUWUTOSTOTYWNU-OAHLLOKOSA-N 292.427 0.464 0 50 CCAA Cc1cnc(Cn2cnc3ccncc3c2=O)cn1 584902945 GOVMNGXEYQQDNU-UHFFFAOYSA-N 253.265 0.938 0 50 CCAA Cc1n[nH]c(C)c1CNC(=O)c1cn2cccnc2n1 670452452 IUELPGVCRHVSCB-UHFFFAOYSA-N 270.296 0.999 0 50 CCAA O=S(=O)(NCC1CCC1)c1cnn2ncccc12 1875288401 ACHWEDRINLOIET-UHFFFAOYSA-N 266.326 0.808 0 50 CCAA CC1(C)[C@H](CC(=O)N2CCN3C(=O)CC[C@]32C)C[C@H]1O 1875297746 CGUNDBVDVYOBAL-FIXISWKDSA-N 280.368 0.964 0 50 CCAA C[S@@](=O)CC[C@@H](O)C(=O)Nc1ccc2c(c1)OCC2 1875321491 KJARBIADPMNMGQ-NSPYISDASA-N 283.349 0.690 0 50 CCAA NC(=O)c1cc(=NCc2n[nH]cc2C2CC2)[nH]cn1 1875346825 CHLMCEAOPMJNBX-UHFFFAOYSA-N 258.285 0.210 0 50 CCAA COC1CC(C(=O)N[C@H]2CCO[C@H]2c2n[nH]c(C)n2)C1 952849657 ZSACGXZXNWFFDG-WFBLGPOFSA-N 280.328 0.484 0 50 CCAA Cc1onc(N)c1S(=O)(=O)N1CCC(C)CC1 72240894 BBHVFHCNGNVARG-UHFFFAOYSA-N 259.331 0.986 0 50 CCAA CO[C@H]1CCCCN(CC(=O)NCc2cncn2C)C1=O 886078481 VIHUVMDNPOUKHU-LBPRGKRZSA-N 294.355 0.064 0 50 CCAA Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CNC[C@@H]2O)s1 888096338 AYHXKPVGUQFZJN-RQJHMYQMSA-N 292.307 0.720 0 50 CCAA CN1C[C@H](OC(=O)CN2CCCCCCC2=O)CNC1=O 888093464 UFAJNNPINVEWMO-LLVKDONJSA-N 297.355 0.346 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)CCc1ccncc1 1565507591 PGARHYQXGYWSBY-STQMWFEESA-N 264.325 0.934 0 50 CCAA Cc1noc([C@@H]2COCCN2Cc2ccon2)n1 170083515 YYIKSOQCEFISSV-JTQLQIEISA-N 250.258 0.940 0 50 CCAA COCCOCCOCCN(C)C(=O)[C@@H]1CCOC1 170605660 ZGYJFPKWBVIFSE-GFCCVEGCSA-N 275.345 0.161 0 50 CCAA Cc1nnc(SCC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)o1 1074609761 RQZFPBCJRNRCKH-DJLDLDEBSA-N 269.326 0.764 0 50 CCAA O=C(Nc1ccc2c(c1)B(O)OCC2)[C@H]1CCCCO1 584916631 XTTFFABMWHLHPU-CYBMUJFWSA-N 275.113 0.454 0 50 CCAA Cn1ccnc1CNC(=O)N[C@@H]1CCCOCC1 408117558 DRQZVMYNEUSUIT-SNVBAGLBSA-N 252.318 0.788 0 50 CCAA COC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCCCC(=O)N1 408524007 WXEKWBPPQGVXSR-IUCAKERBSA-N 286.353 0.120 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1nnc(C2CC2)n1C 643824959 GPPTZZPIYQRKKD-AWEZNQCLSA-N 293.371 0.159 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccnc(O)c1 644228396 LLQRZTMOGSFVOT-UPJWGTAASA-N 291.351 0.505 0 50 CCAA C[C@H]1CN(c2cncc(C(N)=O)n2)CC(C)(C)O1 301443724 OJCMDVZGYQCEFS-QMMMGPOBSA-N 250.302 0.579 0 50 CCAA CCCN1C[C@H](C(=O)N2C[C@@H](F)C[C@@H]2CO)CC1=O 332662441 GGUZBOJVTGYCJX-OUAUKWLOSA-N 272.320 0.176 0 50 CCAA Cn1ccnc1NC(=O)Cn1c(=O)oc2ccccc21 1460934789 WKEHGOPXCYMKOB-UHFFFAOYSA-N 272.264 0.967 0 50 CCAA COCCC1(S(=O)(=O)N2C[C@@H]3CC[C@]3(N)C2)CC1 1615058661 PEIMWFDTXAWNIT-JQWIXIFHSA-N 274.386 0.308 0 50 CCAA O=S(=O)(c1cnc2sccn12)N1CCN2CC[C@H]1C2 1615586616 WISYXYFPKUWRFK-VIFPVBQESA-N 298.393 0.474 0 50 CCAA C[C@@H]1NC(=O)N(CCCn2ccnc2)C(=O)[C@@H]1C 1615545733 INHBQJWSDGDWMQ-ZJUUUORDSA-N 250.302 0.850 0 50 CCAA CCc1c(C)nc(N)nc1N1CC[C@@H](C(=O)O)C1 1772700905 JSIBTAKDQNVAQU-MRVPVSSYSA-N 250.302 0.841 0 50 CCAA CC(=O)N[C@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 332700380 VBSINVZHGQXPLK-HTQZYQBOSA-N 291.307 0.869 0 50 CCAA CCOC(=O)[C@@H]1CCCN(C(=O)N2CCOCC2)C1 31701 LWYQBXHQASBJHF-LLVKDONJSA-N 270.329 0.714 0 50 CCAA CS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 262173 GUGUZGKFRFWROE-UHFFFAOYSA-N 274.386 0.671 0 50 CCAA O=C(NCC1(CO)CCCCC1)[C@]12CNC[C@H]1CCOC2 1648954956 VRWAXZMTJFDKFL-CJNGLKHVSA-N 296.411 0.672 0 50 CCAA CNC(=O)c1ccc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)nn1 905994615 GTJFSGSCHWHFSR-SKDRFNHKSA-N 290.323 0.590 0 50 CCAA Cc1nc(CNC(=O)Nc2nc3ccccn3n2)n[nH]1 1670180756 OKXCBLJOICGLFF-UHFFFAOYSA-N 272.272 0.478 0 50 CCAA Cc1nnc(=NC[C@@H](O)c2ccc(O)cc2)[nH]c1C 1875279554 WJMYJCPLYHKXNE-GFCCVEGCSA-N 260.297 0.761 0 50 CCAA O=S(=O)(C1CCOCC1)N1CCC[C@H](C2(O)CC2)C1 1772805696 QWUYAFRCTFVWLQ-NSHDSACASA-N 289.397 0.732 0 50 CCAA Cc1cnc(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cn1 131317915 HZWSJYCKXUKMJG-CMPLNLGQSA-N 274.324 0.668 0 50 CCAA C[C@H](CNc1ccc(C(F)(F)F)cn1)S(N)(=O)=O 346256143 FFEIABSLXAZNPJ-ZCFIWIBFSA-N 283.275 1.189 0 50 CCAA CNC(=O)c1ccc(CNC(=O)[C@@H](O)CCSC)cc1 299787783 ZJMUEJXBRVJNHH-LBPRGKRZSA-N 296.392 0.776 0 50 CCAA CCc1cccc(OCC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)c1 569102232 NGKUPMOQPHSWRY-NHAGDIPZSA-N 260.337 0.962 0 50 CCAA O=C1CC[C@H](NC(=O)[C@H]2CC23CCCC3)C(=O)N1 334355499 AQLFXZAQRTUHMN-BDAKNGLRSA-N 250.298 0.488 0 50 CCAA CC[C@H](NC(=O)[C@@H]1CCNCC1(F)F)C(=O)OC 343409614 APPSMRPOZOOILN-YUMQZZPRSA-N 264.272 0.299 0 50 CCAA Cc1noc(C)c1CCC(=O)N1CC[C@H](O)[C@H](CO)C1 396869642 IAWFUPMTNIIJSU-AAEUAGOBSA-N 282.340 0.426 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N1C[C@H]2CCN[C@H]2C1 1565530880 UMAGUQYNDDNQKQ-ZJUUUORDSA-N 271.342 0.274 0 50 CCAA CS(=O)(=O)N1CCc2cc(C(=O)NC3CC3)ccc21 4520596 ZEMBNSVJHVNRBL-UHFFFAOYSA-N 280.349 0.901 0 50 CCAA O=C(O)CSC[C@@H](NC(=O)c1ccccc1)C(=O)O 2041830 ZNPRRHVZHMGIKB-SECBINFHSA-N 283.305 0.687 0 50 CCAA CCc1ccccc1NC(=O)C(=O)NCCCO 2944577 MYOFPEXDEZCALQ-UHFFFAOYSA-N 250.298 0.686 0 50 CCAA O=C(Cn1c(CCO)nc2ccccc21)N1CCOCC1 8786139 ROEAASOHWKKTFB-UHFFFAOYSA-N 289.335 0.430 0 50 CCAA COC(=O)[C@H]1COC[C@H](OC)N1C(=O)OC(C)(C)C 118552381 CSKNBUYMLWBSIE-BDAKNGLRSA-N 275.301 0.768 0 50 CCAA O=C(CNC(=O)c1ccnc(O)c1)Nc1cccnc1 349087726 ZBBPPZGUDLFJKV-UHFFFAOYSA-N 272.264 0.551 0 50 CCAA CCS(=O)(=O)N1CCN(c2ccc(C)nn2)CC1 65364421 NUAUODHKTHXXMH-UHFFFAOYSA-N 270.358 0.257 0 50 CCAA CC1(C)O[C@@H]2C(Br)=C[C@@H](O)[C@@H](O)[C@@H]2O1 25721952 UGCLVZMHFRQWFL-XUTVFYLZSA-N 265.103 0.521 0 50 CCAA COCCN1CCN(C(=O)c2sc(C)nc2C)CC1=O 120838355 DLSSKPUKFQRLJW-UHFFFAOYSA-N 297.380 0.691 0 50 CCAA C[C@H](NCC(=O)N1CCOCC1)c1nnc2ccccn12 172609702 LVLBQVMVNTXPIK-NSHDSACASA-N 289.339 0.239 0 50 CCAA Cn1c(=O)c(C(=O)N2CC[C@@H](O)C2)cc2ccccc21 215055597 HUWUFSHDKLNYMV-LLVKDONJSA-N 272.304 0.745 0 50 CCAA COCc1nocc1C(=O)NC[C@H]1CCC[C@@H]1O 362863390 MOTFKMSCAHVNMD-KCJUWKMLSA-N 254.286 0.712 0 50 CCAA CC(C)n1cc(C(=O)NCCN2CCOC2=O)cn1 77390839 SNHHORGHJOVMOH-UHFFFAOYSA-N 266.301 0.646 0 50 CCAA CCN(CC)CC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328625452 KTTJHPBGDCCCOZ-LBPRGKRZSA-N 279.388 0.567 0 50 CCAA COC[C@@H]1CN(C(=O)C2(C(C)=O)CC2)C[C@@H](C)O1 331420811 QIHOOWMHDXPMCJ-KOLCDFICSA-N 255.314 0.618 0 50 CCAA CC(C)NCCN1CCO[C@@](C)(c2cnn(C)c2)C1 366184104 LIYGGGURRDTUCV-CQSZACIVSA-N 266.389 0.966 0 50 CCAA C[C@@H]1C[C@@H](N)CCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 521394656 YSLSNWUYAIQALY-VWYCJHECSA-N 291.355 0.101 0 50 CCAA O=S(=O)(c1cnc[nH]1)N1CCC[C@@H](OCC2CC2)C1 372289817 RVDUYGGKDWSMCN-LLVKDONJSA-N 285.369 0.989 0 50 CCAA N[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 158437949 QCMHPROHTWIMSH-IUCAKERBSA-N 293.289 0.347 0 50 CCAA CC(C)c1nc(N[C@H]2CCNC2=O)c2cnn(C)c2n1 72157122 FXZAPQJVZSHXEH-VIFPVBQESA-N 274.328 0.787 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)cn1 263104165 KJLZLPMLEQFGDR-LDYMZIIASA-N 284.337 0.731 0 50 CCAA O=C(Cc1cccnc1)N[C@H]1COC[C@@H]1N1CCCC1 219992809 FSZRLPIIDUBYDV-KBPBESRZSA-N 275.352 0.604 0 50 CCAA CS[C@H](CO)[C@@H](C)Nc1ccc2nc(C)nn2n1 240551693 GVKWJMRAZXTSSG-VXNVDRBHSA-N 267.358 0.957 0 50 CCAA CC(C)OCCCNC(=O)c1[nH]cnc1C(=O)O 88656630 VEULXMKTUIKZJH-UHFFFAOYSA-N 255.274 0.653 0 50 CCAA Cc1nc2n(n1)C[C@H](Nc1cnc(C(=O)O)cn1)CC2 263434109 URSMAMCIRUGDLR-MRVPVSSYSA-N 274.284 0.502 0 50 CCAA CN(C)[C@H]1CN(C(=O)/C=C/c2ccccc2)C[C@@H]1O 223272959 AYSSYTQVXSBIAM-CFYKVZDHSA-N 260.337 0.833 0 50 CCAA O=C(c1onc2c1CCCC2)N1CCO[C@H](CO)C1 612625542 DWOIOQZGJZLQMH-VIFPVBQESA-N 266.297 0.387 0 50 CCAA CC(C)N(CCNC(=O)c1cncc(=O)[nH]1)C(C)C 426678134 QBOBGYDOPCPYAE-UHFFFAOYSA-N 266.345 0.619 0 50 CCAA Nc1nc(=NCCN2CCCCC2)cc([C@H]2CCOC2)[nH]1 426419809 QBHMTFVKQDPZIL-LBPRGKRZSA-N 291.399 0.882 0 50 CCAA CCNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 238950606 YYBDPVJQJSZZDZ-KKJSVHSVSA-N 276.336 0.708 0 50 CCAA CN1C(=O)[C@H]2N=C(Cc3ccccc3)N[C@@H]2N(C)C1=O 95495698 QOZZUTNLSJJWNT-NWDGAFQWSA-N 272.308 0.449 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)NC[C@@H]1CCCN1 426700069 PUNWVNURZJRCTR-JTQLQIEISA-N 272.374 0.242 0 50 CCAA N[C@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1c1ccccc1 91706489 LTMXVZITSOLNOE-CABCVRRESA-N 297.358 0.802 0 50 CCAA NC(=O)CN1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 91736347 ABRVTDKGRURVQL-AWEZNQCLSA-N 265.357 0.339 0 50 CCAA CN(Cc1cc[nH]n1)Cc1nnc([C@H]2C[C@@H](N)C2)n1C 244796210 RVDDKLNJUTVITH-AOOOYVTPSA-N 275.360 0.375 0 50 CCAA CC[C@H](NC(=O)Cc1nonc1C)[C@H]1C[C@H](O)C1 252539666 OHFDFKIYXKHRAY-GUBZILKMSA-N 253.302 0.586 0 50 CCAA CC(=O)N1CCO[C@H](CNC(=O)c2c(C)ncnc2C)C1 534636288 NKZAYCMBQHGJCS-GFCCVEGCSA-N 292.339 0.071 0 50 CCAA COCCn1nc2c(cc1=O)CN(C(=O)NC(C)C)CC2 263615045 AGUDLIDWXZIFLT-UHFFFAOYSA-N 294.355 0.366 0 50 CCAA Cc1cc(C)n(CCn2cnc3cccnc3c2=O)c(=O)n1 584897612 YERPSFPQUHIDQB-UHFFFAOYSA-N 297.318 0.665 0 50 CCAA CC1=NO[C@@](C)(C(=O)NCCCN2CCC(O)CC2)C1 828631060 OAMSLYLJWOAFDP-CQSZACIVSA-N 283.372 0.504 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)CCCc2cn[nH]c2)C1 823821156 YTURQXVMBUPHNE-NSHDSACASA-N 278.356 0.717 0 50 CCAA CN1C[C@H](Nc2nccn3nnnc23)Cc2ccccc21 585132627 HDIXEHHRZRLQEB-LLVKDONJSA-N 281.323 0.992 0 50 CCAA CC(C)C(=O)N1CCC[C@@H](Nc2nccc(N)n2)C1 584885007 UHEOYTVZGKKUCS-SNVBAGLBSA-N 263.345 1.118 0 50 CCAA CN(C[C@@H]1CCN(C)C1(C)C)c1cncc(C(N)=O)n1 670446546 LWRYBCBXHCUDHA-JTQLQIEISA-N 277.372 0.742 0 50 CCAA COc1ccnc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)c1 584887429 GXBHGUKLDRIRCT-KBPBESRZSA-N 291.351 0.371 0 50 CCAA CC(C)n1cnnc1[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 670437299 IILOBXVWBRBUJQ-SECBINFHSA-N 290.327 0.444 0 50 CCAA CC1(C)CN(C(=O)[C@@H](O)c2cnc[nH]2)C[C@@]2(CCOC2)O1 867951609 PTKTYTYZYAXHOK-SMDDNHRTSA-N 295.339 0.240 0 50 CCAA CN(CCNC(=O)c1nnc(C2CC2)o1)C1CCOCC1 1875278584 MMWANEBRYMDRGU-UHFFFAOYSA-N 294.355 0.788 0 50 CCAA CO[C@@H](C)c1noc(Cn2nnn(C(C)C)c2=O)n1 1875355905 GIQJVDZOKYKXON-ZETCQYMHSA-N 268.277 0.159 0 50 CCAA C=CC(=O)N1CCC[C@H](c2nn(C)cc2C(N)=O)C1 1875366766 TWVJQXLPVIFVTM-VIFPVBQESA-N 262.313 0.411 0 50 CCAA C[C@H](O)CONC(=O)[C@H]1COc2ccccc2O1 1875396356 CTAUTLUYNHIVTI-GZMMTYOYSA-N 253.254 0.255 0 50 CCAA COCCOCc1noc([C@@H]2CCCc3nn[nH]c32)n1 952894353 NPAWVEBFDJPJRG-MRVPVSSYSA-N 279.300 0.819 0 50 CCAA CC(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCCSC1 952880135 NDNYOBLELRHBOF-BDAKNGLRSA-N 259.375 0.691 0 50 CCAA COCC1(NC(=O)[C@H]2CCCN(CC(N)=O)C2)CCCC1 952987977 PEABYCKCIYJSHT-LBPRGKRZSA-N 297.399 0.259 0 50 CCAA CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(C)n1)C2 888097892 SEXNDHUWLRFQFH-KBXIAJHMSA-N 293.415 0.384 0 50 CCAA CCOc1ccc2c(c1)[C@@H](NC(=O)C1(O)COC1)CCO2 1362968092 FGISCSCHXDRPCK-LBPRGKRZSA-N 293.319 0.786 0 50 CCAA Cc1cc(C)n(CCCC(=O)N2CCOC[C@H](CO)C2)n1 77439580 KNDNIELNMBLDTH-AWEZNQCLSA-N 295.383 0.747 0 50 CCAA Cn1c(Cn2ccnc2-c2ccccn2)cc(=O)n(C)c1=O 169978984 RKSPJRMVYFTYDU-UHFFFAOYSA-N 297.318 0.391 0 50 CCAA CC[C@H](SC)C(=O)NN1C(=O)N[C@@](C)(CC)C1=O 278541319 AESBXKZYDCKOSF-CPCISQLKSA-N 273.358 0.880 0 50 CCAA CNC(=O)NC(=O)COC(=O)[C@@H](O)[C@H](C)c1ccccc1 584907048 QLLZTHQFFHQRMB-SKDRFNHKSA-N 294.307 0.150 0 50 CCAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)CNS(C)(=O)=O 189053217 YBKUDJAYTATWHS-KOLCDFICSA-N 292.401 0.103 0 50 CCAA C[C@H](NS(=O)(=O)C[C@H]1CCCCO1)c1nncn1C 407971083 GJNFOWUQKXWZIL-VHSXEESVSA-N 288.373 0.365 0 50 CCAA Cc1ncncc1C(=O)NS(=O)(=O)C[C@@H]1CCCO1 408434690 ZPFOXEYOHMIVCI-VIFPVBQESA-N 285.325 0.024 0 50 CCAA O=C1[C@H](N[C@@H]2CCc3ncnn3C2)CCN1c1ccccc1 109329183 SSEDSOUIDUOFAH-TZMCWYRMSA-N 297.362 0.988 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cccn2C)C1 643754860 HKJQIVOSKOUSHM-HNNXBMFYSA-N 279.384 0.830 0 50 CCAA CO[C@@](C)(CO)CNC(=O)CCc1ccncc1 655209543 KLCBRWKDZPLQMO-CYBMUJFWSA-N 252.314 0.528 0 50 CCAA C[C@H](NC(=O)N(C)CCN(C)C1CCCC1)C(=O)O 1506405206 CWGQEFCKDBNOEI-JTQLQIEISA-N 271.361 0.975 0 50 CCAA CCCN1C(=O)C[C@H](N2CCN(CC)CC2)C1=O 19881944 MOWCJEVJFLBGGQ-NSHDSACASA-N 253.346 0.161 0 50 CCAA CO[C@]1(C)C[C@@H](NC(=O)[C@H]2CSCN2)C1(C)C 121683237 OWVILKJLRWTDEO-KBVBSXBZSA-N 258.387 0.969 0 50 CCAA NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1689810 FUCKRCGERFLLHP-VIFPVBQESA-N 266.253 0.241 0 50 CCAA biogenic,in-vitro COCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 12001871 YSLXIAFCVUDQFX-UHFFFAOYSA-N 298.364 0.738 0 50 CCAA O=C(O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 14824069 OVEAWSPZRGBTSS-NSHDSACASA-N 290.275 0.755 0 50 CCAA endogenous,in-man CC(C)(C)OC(=O)NC1CCN(S(C)(=O)=O)CC1 19894174 BVSNHVUSSUREGZ-UHFFFAOYSA-N 278.374 0.935 0 50 CCAA CN(C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 165592188 MZRAADPAONILMH-QMMMGPOBSA-N 274.317 0.833 0 50 CCAA COC(=O)C[C@@H](O)CSc1nccn2ccnc12 193586311 LTRRGABINPJUGP-MRVPVSSYSA-N 267.310 0.745 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCCCc2ccccn2)C[C@H]1O 1857709993 CEWDLHJPKUUXBN-CYZMBNFOSA-N 263.341 0.229 0 50 CCAA N[C@@H]1CC[C@H](C(=O)NCc2cccc(CO)c2)C[C@H]1O 1857729048 SFKHEKQRWOPOJO-BFHYXJOUSA-N 278.352 0.283 0 50 CCAA CNC(=O)c1cn2c(n1)CCN(C(=O)C1CCC1)CC2 1875246712 KPJNMGMRPWHTMX-UHFFFAOYSA-N 276.340 0.428 0 50 CCAA O=C1CC[C@H](N2C(=O)c3cccc(F)c3C2=O)C(=O)N1 2007892 CRAUTELYXAAAPW-QMMMGPOBSA-N 276.223 0.227 0 50 CCAA in-vitro CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(C)no1 643953261 OBRLMWPBXAZYRP-CYBMUJFWSA-N 281.312 0.350 0 50 CCAA CCCCn1nc(C(=O)N2C[C@H](C)N[C@H](C)C2)ccc1=O 153893177 SFEIMQVQFUJQOL-TXEJJXNPSA-N 292.383 0.866 0 50 CCAA Cn1cc(CNC(=O)[C@@H]2NCC[C@H]3CCCC[C@H]32)nn1 1650364712 LXTZBGRDHKRELP-RAIGVLPGSA-N 277.372 0.600 0 50 CCAA CON1CCC(C(=O)N2CCC(C)(C(=O)O)CC2)CC1 901705859 XRRHKURHWCMJEV-UHFFFAOYSA-N 284.356 0.973 0 50 CCAA O=C(CN1CCNCCC12CCOCC2)NC1CCCC1 903814477 MCDHWIREJBYYDJ-UHFFFAOYSA-N 295.427 0.890 0 50 CCAA Cc1ccc(N2CC[C@H](C(=O)O)[C@H](O)C2)nc1C 1704330647 ZCGFPHJRNGVQGQ-WDEREUQCSA-N 250.298 0.970 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@]2(C1)NCCNC2=O 1857780481 KBHSVLIMZHKKFE-CYBMUJFWSA-N 269.345 0.476 0 50 CCAA COc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cn1 262850176 VDJAUCNJKXJJCY-UHFFFAOYSA-N 280.280 0.142 0 50 CCAA COCC1(C(=O)NCCc2nc(C(=O)O)cs2)CC1 426518358 RPSIWWAEGGEWJG-UHFFFAOYSA-N 284.337 0.927 0 50 CCAA COC[C@H](OC)C(=O)Nc1ccc(C(=O)O)cc1 659120295 JOZCZUSZXGIOJZ-JTQLQIEISA-N 253.254 0.985 0 50 CCAA COc1ccc(C(=O)NCC2(CO)CCOCC2)nc1 360377337 IWLQWEUZHNKQTI-UHFFFAOYSA-N 280.324 0.609 0 50 CCAA COc1cccc(S(=O)(=O)N2CC(=O)N[C@@H](C)C2)c1 386974477 CGNYVWXFCRHNIN-VIFPVBQESA-N 284.337 0.204 0 50 CCAA CCCn1cnnc1CN[C@@H](C)CN1CCOCC1 823031264 CBJRLDQSJIKODL-LBPRGKRZSA-N 267.377 0.498 0 50 CCAA Cc1cc(O)nc(CNc2ncc3ncn(C)c3n2)n1 2100482170 BYKBKQIYIZQOIN-UHFFFAOYSA-N 271.284 0.779 0 50 CCAA CN(C)[C@H]1C[C@H](C(=O)N2CCCC[C@@H]2Cn2ccnn2)C1 2325784544 RDTKYNHFXCRKCX-MGPQQGTHSA-N 291.399 0.999 0 50 CCAA O=C(N[C@H](c1nn[nH]n1)C1CC1)C12CSC(C1)C2 2325806911 NSNUORKOOXYIKL-KAIZJQOQSA-N 265.342 0.663 0 50 CCAA CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)CC1 32101 UOVMFIQDEOSINK-USZNOCQGSA-N 264.325 0.283 0 50 CCAA COc1ccc(NC(C)=O)cc1N(CCO)CCO 404201 UIQVGOZJVVAPOV-UHFFFAOYSA-N 268.313 0.445 0 50 CCAA CN(C[P@@](=O)(O)[C@@H](O)c1ccccc1)S(C)(=O)=O 1209764 NDWQVIAMYARZIX-SNVBAGLBSA-N 293.281 0.797 0 50 CCAA NC(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)o2)C1 393351855 KHJLFYCXNJSZNR-ZCFIWIBFSA-N 257.677 0.816 0 50 CCAA C[C@@H]1NCCC[C@H]1NS(=O)(=O)N1CCC[C@@H](C)C1 246641280 VQHUWJJPTLIVMN-GRYCIOLGSA-N 275.418 0.693 0 50 CCAA O=C1C[C@H](N2CCOCC2)C(=O)N1C1CCCC1 100789205 HBVMFTRMJDAZTB-NSHDSACASA-N 252.314 0.389 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1ccccn1 105055335 OPKJEKZXOQTIPV-WYUUTHIRSA-N 274.276 0.352 0 50 CCAA C[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCCN1C)S(C)(=O)=O 248095985 CYVQNJKYHDKQKM-IJLUTSLNSA-N 288.413 0.505 0 50 CCAA CN(C)c1ccc(C(=O)N2CCC(OCCO)CC2)cn1 135397340 LTRMDLMDLNITTC-UHFFFAOYSA-N 293.367 0.761 0 50 CCAA C/C=C(\C)CN1C[C@H](C2CC2)[C@@H](NC(=O)CO)C1 219575354 GDLQMXJYPBUSJC-UAMHZHPTSA-N 252.358 0.772 0 50 CCAA CNc1ccnc(N2CCN(CCCCO)CC2)n1 65468745 ZXFCRCZUJZEHMV-UHFFFAOYSA-N 265.361 0.413 0 50 CCAA C[C@@H]1CN(c2cc(=O)n(C)c(=O)n2C)C[C@H](C2CC2)O1 328599274 RDYQMVMVEUWLJU-MWLCHTKSSA-N 279.340 0.088 0 50 CCAA CN(CC1CC1)C[C@H]1CN(C(=O)C2CCOCC2)CCO1 328635650 NNPWJZDTFSNTNQ-HNNXBMFYSA-N 296.411 0.982 0 50 CCAA Cn1ccnc1CN1CCN(c2ncc(F)c(O)n2)CC1 32533082 RSBWSTHONOKQLR-UHFFFAOYSA-N 292.318 0.377 0 50 CCAA CS(=O)(=O)C[C@@H]1CCCN(Cc2cccnc2N)C1 216393512 PUYVCAGYDGDFFG-LLVKDONJSA-N 283.397 0.920 0 50 CCAA C[C@@H](Cc1cnccn1)NC(=O)c1ccncc1O 215951126 PQMCXBKXADSEMN-VIFPVBQESA-N 258.281 0.938 0 50 CCAA Cc1cc(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)no1 329837579 MYFBSHWIFUEKLC-NSHDSACASA-N 288.307 0.834 0 50 CCAA C[C@@H](NC(=O)c1cc[nH]c(=O)c1)C(=O)NCc1ccccc1 153221966 PAOXJLSSQHYWFJ-LLVKDONJSA-N 299.330 0.810 0 50 CCAA CCO[C@H]1C[C@@H]1C(=O)N(C)Cc1cnc(N(C)C)nc1 332150504 OIEIYMFZOQIBGL-RYUDHWBXSA-N 278.356 0.926 0 50 CCAA CCOC(=O)c1coc(N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)n1 72125469 GZWNZFFZJMZNDU-CDJYRKNRSA-N 296.323 0.419 0 50 CCAA CCc1ccccc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O 287380302 NLXFFKQYOSGBHY-JTQLQIEISA-N 296.348 0.285 0 50 CCAA Cc1cccnc1N1CCN(C(=O)c2nc[nH]n2)CC1 32590237 DJZFOMUSIPTSNT-UHFFFAOYSA-N 272.312 0.471 0 50 CCAA CSC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)CCOCC1 262364415 DSXSWARSCJYITJ-BDAKNGLRSA-N 273.354 0.736 0 50 CCAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CNCCO1 72163417 JYUNVVMFUQKBGD-CQSZACIVSA-N 292.383 0.625 0 50 CCAA Cc1nnnn1CCC(=O)N(C)CCC[C@H]1CCCO1 219939387 REQSITJXGNJNQG-LBPRGKRZSA-N 281.360 0.789 0 50 CCAA C[C@H](c1ccon1)N(C)C(=O)CCn1cnnn1 216469545 BORMEMNHEWXYIS-MRVPVSSYSA-N 250.262 0.271 0 50 CCAA CO[C@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1N 71760378 IHDAZZIXDRRNKS-SKDRFNHKSA-N 290.323 0.044 0 50 CCAA C[C@H]1CN(C(=O)CCc2ccnn2C)C[C@@H](C)O1 131508450 FUPBFMPWYMUOML-PHIMTYICSA-N 251.330 0.989 0 50 CCAA CC(=O)N[C@@H]1[C@@H](NC(=O)c2ccncc2F)[C@H]2CCO[C@H]21 220223848 GFCHCVFIKUMGDU-GWNIPJSYSA-N 293.298 0.243 0 50 CCAA Cc1ccc2[nH]c(C(=O)N[C@@H]3CCOC[C@H]3O)nc2c1 223710503 RSKUMAXIHDNZJV-ZYHUDNBSSA-N 275.308 0.751 0 50 CCAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)CN(C)C(N)=O 426517782 FNKDAMVGGHNIAY-LBPRGKRZSA-N 295.339 0.285 0 50 CCAA COCCN(CC(=O)O)C(=O)Cc1c(C)n[nH]c1C 49606749 QOZPFPOMTXGZNJ-UHFFFAOYSA-N 269.301 0.129 0 50 CCAA CCS(=O)(=O)CCNC(=O)c1ccc(COC)o1 96166957 HIFSIUMGUUNIBV-UHFFFAOYSA-N 275.326 0.591 0 50 CCAA Cc1c(C(=O)NCCSc2cnn[nH]2)ccn1C 426488167 HOQISYJZACUENS-UHFFFAOYSA-N 265.342 0.974 0 50 CCAA O=C1CN(CCCNc2cc(C3CC3)ncn2)CCN1 91663061 HLJJMOFCHNSVFZ-UHFFFAOYSA-N 275.356 0.588 0 50 CCAA CCc1c(C)nc(N)nc1N1CCN(C)[C@H](CO)C1 95386536 QPGAWJSNYAASJZ-JTQLQIEISA-N 265.361 0.042 0 50 CCAA O=C(CN1C(=O)CNC1=O)N1Cc2ccccc2C1 91468436 XGKGXAXMPKFIQT-UHFFFAOYSA-N 259.265 0.081 0 50 CCAA Nc1nnc(SCC(=O)N2CCc3[nH]cnc3C2)s1 96131548 FCCAXPONAAVUGI-UHFFFAOYSA-N 296.381 0.520 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCCN1CCCC1 91410138 JBFKNGDUPZUSLH-GFCCVEGCSA-N 265.361 0.238 0 50 CCAA Cc1nc(CC(C)C)cc(C(=O)N2CCO[C@@H](CN)C2)n1 244691569 JFCOSBCDHKJXIZ-ZDUSSCGKSA-N 292.383 0.783 0 50 CCAA CNC(=O)[C@@H]1CN(C(=O)c2cscc2C)CCO1 183528104 XRIVQHPZCHVMGX-JTQLQIEISA-N 268.338 0.644 0 50 CCAA Cc1nc(C)c(C(=O)N2CCNC(=O)[C@@H]2C(C)C)nc1C 185032218 WDUISTTZLYMHTB-ZDUSSCGKSA-N 290.367 0.998 0 50 CCAA CC1(C)C[C@H](C(=O)NCCc2nc(N)n[nH]2)CCO1 534659707 DBVKMEGQXDRSHZ-MRVPVSSYSA-N 267.333 0.251 0 50 CCAA Cc1cc(Cl)cc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1 1940194673 DPUYFHPRTFAIDB-FDYHWXHSSA-N 297.738 0.905 0 50 CCAA COCCCn1cnnc1CNC(=O)c1ncccc1O 299793022 IQLFFCIWYMSMOA-UHFFFAOYSA-N 291.311 0.345 0 50 CCAA Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](O)C2 828637004 UGYBLMKQRGUKGZ-JTQLQIEISA-N 263.341 0.896 0 50 CCAA CN1C[C@H]2CN(C(=O)C3(Cn4ccnc4)CC3)C[C@H]2C1 584900558 JZSYCAPKKXGKEN-BETUJISGSA-N 274.368 0.683 0 50 CCAA Cc1nc(N)sc1CC(=O)NCCn1ccnc1C 584901752 KUCUZGRLWIDRRU-UHFFFAOYSA-N 279.369 0.898 0 50 CCAA O=C1CC[C@@H](NC(=O)N=c2nc(C3CC3)[nH]s2)CN1 1875267662 SFJZABGKENBEDL-SSDOTTSWSA-N 281.341 0.238 0 50 CCAA CCc1nccn1CCNC(=O)c1n[nH]c(C)c1O 1455620331 IYRLBWQMEMQVEW-UHFFFAOYSA-N 263.301 0.613 0 50 CCAA CCc1nc(C(C)(C)NC(=O)Cc2ncc[nH]2)no1 1775988165 QWDOQEQPJQONEO-UHFFFAOYSA-N 263.301 0.949 0 50 CCAA O=C(NCC1CC=CC1)[C@]12CNC[C@H]1CCOC2 1344116936 YETYQWQTSPLCRI-OCCSQVGLSA-N 250.342 0.695 0 50 CCAA CCc1csc(N2CC(O)(c3cnnn3C)C2)n1 1354255019 CTWFJTRBQMAEOR-UHFFFAOYSA-N 265.342 0.542 0 50 CCAA O=C(NCCc1ccccc1F)N[C@H]1COCC[C@@H]1O 1565510924 FDZJXLONFPKJHY-STQMWFEESA-N 282.315 0.817 0 50 CCAA CCCCNC(=O)N1CC2(CC(=O)Nc3nccn32)C1 1464800377 NGNRBCHJTQEWKM-UHFFFAOYSA-N 277.328 0.746 0 50 CCAA C[C@H](Cc1ccccc1F)NC(=O)[C@H]1C[C@@H](O)CN1 276644821 NBUUAXZZUJUDLS-IRUJWGPZSA-N 266.316 0.596 0 50 CCAA Cc1nn(C)c(C)c1CCCN1C(=O)N[C@@H](C)C1=O 170068370 RQIVJEWINJTLCU-VIFPVBQESA-N 264.329 0.910 0 50 CCAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCS(=O)(=O)CC1 408013275 BTYBIJYFDWWGQO-VIFPVBQESA-N 299.396 0.397 0 50 CCAA C[C@H]1CN(c2ncnc3[nH]c(=N)ccc23)[C@@H](C)CN1C 408434358 GCLYSRPILNEXHG-UWVGGRQHSA-N 272.356 0.966 0 50 CCAA O=C(CCC1CCC1)NS(=O)(=O)[C@H]1CCOC1 408489256 QZARCYQZZIAUKY-JTQLQIEISA-N 261.343 0.802 0 50 CCAA C[C@H]1CN(C(=O)C2(Oc3ccccc3)CC2)CC(=O)N1 563879849 SGBZBXKULVSXHB-NSHDSACASA-N 274.320 0.945 0 50 CCAA Cn1cccc1CN1CC[C@@](O)(Cn2ccnn2)C1 671492555 SPECEZFJBIZFBZ-ZDUSSCGKSA-N 261.329 0.254 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CC(O)(c2ccccc2)C1 913540270 RRJXQNKJZYXRGN-UHFFFAOYSA-N 288.347 0.751 0 50 CCAA COC[C@@H](O)CN(C)c1cc(C(C)C)nc(N)n1 95366267 CUJJKKQJMAFDJB-VIFPVBQESA-N 254.334 0.626 0 50 CCAA COc1ccnc(N2CC[C@@]3(CO)CCCN[C@@H]3C2)n1 1704300253 ZYCNIRIWARFWLJ-BXUZGUMPSA-N 278.356 0.426 0 50 CCAA O=C(NCCNC(=O)c1ccco1)c1ccccn1 4487428 QQQJLARQZXJOEP-UHFFFAOYSA-N 259.265 0.834 0 50 CCAA CCNS(=O)(=O)c1cc(C(N)=O)ccc1OC 6747675 CKQGHXSYUJVGML-UHFFFAOYSA-N 258.299 0.092 0 50 CCAA CN1CCC[C@H](C(=O)N2CCc3[nH]nc(C(=O)O)c3C2)C1 1857709828 TWNPAJAPUDVIAN-VIFPVBQESA-N 292.339 0.334 0 50 CCAA Cc1ccn2c(=O)c(C(=O)N3CCC[C@H](N)C3)cnc2c1 157821449 WOFRKSJIAPYPDS-NSHDSACASA-N 286.335 0.566 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1Cc2c[nH]nc2[C@H](C)C1 913584717 MATSYDBNHGPJAK-SNVBAGLBSA-N 276.340 0.890 0 50 CCAA CN1CCN(C(=O)COc2ccccc2F)CC1 20149101 KCKWIDWQMGXRMJ-UHFFFAOYSA-N 252.289 0.979 0 50 CCAA CCOC(=O)N1CCN(C(=O)N2CCOCC2)CC1 30252 LAORXLLYQCDIFB-UHFFFAOYSA-N 271.317 0.213 0 50 CCAA CC(C)[C@H](NC(=O)c1ccc2nncn2c1)C(=O)O 236773823 RUOSDPJTASKHTO-JTQLQIEISA-N 262.269 0.568 0 50 CCAA CSCC[C@H](NC(=O)c1ccc2[nH]nnc2c1)C(=O)O 37431240 UJNNELASOOMKJC-VIFPVBQESA-N 294.336 0.894 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Cl)cn1 664270135 RORDRGNJPSORGE-HTQZYQBOSA-N 277.733 0.354 0 50 CCAA CN1CCC[C@@H]1C(=O)N1CCC(OCCO)CC1 408095291 MKNFSFGNXLIJSC-GFCCVEGCSA-N 256.346 0.081 0 50 CCAA CC[C@@H]1CN(C(=O)[C@@H](CCSC)NC(=N)O)C[C@H]1O 330514151 LCAGWQVMFIXRAO-OPRDCNLKSA-N 289.401 0.420 0 50 CCAA O=S(=O)(Cc1ccccc1)NC[C@]1(O)CCCNC1 534643468 VJQDHFJNQQBLSV-ZDUSSCGKSA-N 284.381 0.221 0 50 CCAA COc1cccc(CCC(=O)N[C@H]2CCOC[C@@H]2O)c1 629224988 CSBKSIIESIQCIA-KBPBESRZSA-N 279.336 0.894 0 50 CCAA Cc1ncc(CN2C(=O)[C@@H]3CCCCN3S2(=O)=O)o1 2325772814 OOJSNIOXOXVVCH-JTQLQIEISA-N 285.325 0.425 0 50 CCAA O=C1[C@H]2CCCCN2S(=O)(=O)N1Cc1cnco1 2325799164 ZAMFLLGWSSEHTI-SECBINFHSA-N 271.298 0.116 0 50 CCAA Cn1[nH]cnc1=NCCNC(=O)c1ccc2ccccn12 2356158650 TZRUCHJREJBPAE-UHFFFAOYSA-N 284.323 0.332 0 50 CCAA CN(C(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 6667679 ZDSUQWVALLWVOG-NSHDSACASA-N 253.323 0.946 0 50 CCAA O=C(O)CSCc1cc(=O)n2ncsc2n1 8728786 AHBZHEWIYBTHRX-UHFFFAOYSA-N 257.296 0.469 0 50 CCAA Nc1nnc(SCC(=O)NCCN2CCCC2)s1 55155021 OENKZXCFDHOYIX-UHFFFAOYSA-N 287.414 0.424 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)CCc1cnn(C)c1C 344800190 DVEUHIUQSLMIFA-UONOGXRCSA-N 295.383 0.923 0 50 CCAA CNCCCNC(=O)c1nc2ccccc2c(=O)[nH]1 20731263 IDUGEQLHUMVGTA-UHFFFAOYSA-N 260.297 0.262 0 50 CCAA COCNC(=O)CNC(=O)OCc1ccccc1 114538942 UZOTWBZCVNVZAR-UHFFFAOYSA-N 252.270 0.633 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2CC(O)C1 101046682 NMAXXBPLFWFCTA-RYUDHWBXSA-N 285.303 0.607 0 50 CCAA Cc1nccn1[C@H](C)C(=O)N[C@H]1C[C@@H](C(=O)O)C1 426689811 DFPYYUAJAPYIGM-QNSHHTMESA-N 251.286 0.732 0 50 CCAA C[C@H](NC(=O)C1CCCC1)C(=O)N(C)[C@H](C)CN 429350997 DYINZFBJDRBNFZ-ZJUUUORDSA-N 255.362 0.487 0 50 CCAA Cc1c(CN2CCN(C)[C@H](CCO)C2)cnn1C 39485688 HKVBWBKRVWISCZ-CYBMUJFWSA-N 252.362 0.227 0 50 CCAA CC(C)OCCCN1CCO[C@H](CN(C)CC(=O)O)C1 364013988 UDRSOGDKBCUYBL-CYBMUJFWSA-N 288.388 0.519 0 50 CCAA Cc1cc(N2CCC[C@H](NCc3cn(C)nn3)C2)n(C)n1 333095029 DKHNJKVWTTWXRI-LBPRGKRZSA-N 289.387 0.616 0 50 CCAA CC(=O)NC[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 331490936 YIVBEOYXNUNXGR-JTQLQIEISA-N 260.359 0.327 0 50 CCAA Cc1ccc(-n2cc3c(=O)n(CC(=O)O)cnc3n2)cc1 34927264 XPJPVBZSWRQTRN-UHFFFAOYSA-N 284.275 0.975 0 50 CCAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)C(=O)c1ccccc1)C2 72433702 RQEZSYFJCMLOSF-QWHCGFSZSA-N 286.331 0.949 0 50 CCAA O=C(CC1(O)CCCC1)N1CCOC[C@H]1c1nc[nH]n1 375825537 RDLRHCCRZYIBIZ-JTQLQIEISA-N 280.328 0.400 0 50 CCAA COC[C@@]1(C(=O)O)CCCN(C(=O)COC(C)C)C1 262900024 MEYCUQGSCSQYMT-CYBMUJFWSA-N 273.329 0.751 0 50 CCAA NC(=O)C1CCN(c2cc(C3CC(O)C3)ncn2)CC1 219352615 BNSCMDLLDKHXJI-UHFFFAOYSA-N 276.340 0.417 0 50 CCAA Cc1nc2c(c(NC[C@H](O)C(F)(F)F)n1)CCNCC2 72453985 CJZMJKUHZUDRNF-JTQLQIEISA-N 290.289 0.808 0 50 CCAA CNC(=O)C[C@H](C)N(C)Cc1nccn1CCOC 215506438 LACOBYPTAKORRV-NSHDSACASA-N 268.361 0.486 0 50 CCAA O=C(CN1C[C@@H]2CC[C@H]1C2)N1CCn2cncc2C1 72169539 LOBXHPRAFOCYIF-NEPJUHHUSA-N 260.341 0.710 0 50 CCAA Cc1nccn1CCCNC(=O)[C@@H](C)CN1CCOCC1 223068945 KOOGLOZNHYRPIR-ZDUSSCGKSA-N 294.399 0.666 0 50 CCAA Cn1ccc2cc(C(=O)N3CCNC(=O)C3)ccc21 40286964 BXYZWZZICDXHGV-UHFFFAOYSA-N 257.293 0.750 0 50 CCAA C[C@@H](C(=O)N1CCC(c2ncon2)CC1)N(C)C 426526322 WYSJYPDLIFWGBI-VIFPVBQESA-N 252.318 0.726 0 50 CCAA CC[C@@H](NC(=O)c1cccc(=O)[nH]1)[C@H]1C[C@H](O)C1 223495147 HYRYLAZAOHHUNQ-KXUCPTDWSA-N 250.298 0.654 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)Cn1ccnc1 220181759 VFZMELASRSMYGL-GHMZBOCLSA-N 253.302 0.193 0 50 CCAA CN1CCC(N2CCC(NC(=O)c3cnc[nH]3)CC2)CC1 221377039 MHOGGPLFBWNRQF-UHFFFAOYSA-N 291.399 0.698 0 50 CCAA O=C(CCCOc1ccccc1)NCCN1CCNC1=O 223957106 CFSQPPXMMASLFH-UHFFFAOYSA-N 291.351 0.987 0 50 CCAA COCc1cc(CNC(=O)c2sc(N)nc2C)[nH]n1 221354003 YYJJUKLXJWUDCA-UHFFFAOYSA-N 281.341 0.833 0 50 CCAA COCC[C@]1(O)CCN(C(=O)CSC)C[C@H]1C 91547328 ANMQDDAGSXZYQH-ZYHUDNBSSA-N 261.387 0.985 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1CCNC1=O 91706461 HZBAQBPENMSABV-LLVKDONJSA-N 278.356 0.720 0 50 CCAA Cc1[nH]nc(C(=O)NC[C@H]2COCCN(C)C2)c1Cl 426738998 GAJPTQJOAWHQLO-SECBINFHSA-N 286.763 0.680 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3[C@@H]4[C@@H]3[C@@H]3[C@]5(CC(C)(C)C[C@]135)[C@H]42 248336518 ORUGTCDEHZTCHZ-VPQKOMKHSA-N 285.347 0.756 0 50 CCAA Cn1ccc(NC(=O)CN(Cc2nccn2C)C2CC2)n1 243914676 BJHSFDGPQIKSGD-UHFFFAOYSA-N 288.355 0.757 0 50 CCAA Cc1ncsc1CN(C)[C@@H]1CS(=O)(=O)C[C@H]1O 250962058 RUTDKRZZXHJLCP-RKDXNWHRSA-N 276.383 0.041 0 50 CCAA C[C@H](NC(=O)c1ncn([C@@H]2CCCNC2)n1)[C@H]1CCCO1 299739319 NHNNMCHQRKUUDZ-QJPTWQEYSA-N 293.371 0.500 0 50 CCAA O=C(O)CN(C(=O)[C@H]1CCCO1)C1CCOCC1 299742323 BESXJZPOUKHZAG-SNVBAGLBSA-N 257.286 0.258 0 50 CCAA O=C1CC[C@H](C(=O)NCC2CCN(CC3CC3)CC2)N1 620928412 ZZFMFHFMPXRSBM-CYBMUJFWSA-N 279.384 0.503 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1nc2ccccc2[nH]1 299778179 OOHIEIGDLKXIQF-SECBINFHSA-N 289.291 0.879 0 50 CCAA CC[C@H](NC(=O)CNC(C)=O)c1ncnn1CC 299790440 PSZACNPAVWRMET-VIFPVBQESA-N 253.306 0.001 0 50 CCAA Cc1cnn(CC(=O)NCCN2CCCC[C@H]2CO)c1 828710992 VACBPWGNBRCKIR-ZDUSSCGKSA-N 280.372 0.155 0 50 CCAA CSC[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 584900636 HQYFZHYOBPSBQX-SECBINFHSA-N 285.369 0.140 0 50 CCAA CCn1ncc(CN(C)S(=O)(=O)N(C)C)c1C 823603592 SUISPEIGYOABJC-UHFFFAOYSA-N 260.363 0.450 0 50 CCAA Cc1[nH]nc2c1CN(CC(=O)N1C[C@H](C)O[C@H](C)C1)CC2 670471158 APVXAJPNVRIQTL-PHIMTYICSA-N 292.383 0.712 0 50 CCAA Cc1cnnc(N2CCN(CCn3cncn3)CC2)c1C 1857681413 DEJJNHVFKJEERG-UHFFFAOYSA-N 287.371 0.507 0 50 CCAA COC[C@H](C)[C@H](C)C(=O)N1CCc2c(O)nc(O)nc2C1 1875307684 RHPADUBSNXUXGY-IUCAKERBSA-N 295.339 0.691 0 50 CCAA Cc1cc(C(F)(F)F)nc(=NCCc2cnn[nH]2)[nH]1 1875287907 FSOZEGUZGZEXDJ-UHFFFAOYSA-N 272.234 0.998 0 50 CCAA CC[C@H](C(=O)N1CCC(CO)(CN(C)C)CC1)N(C)CC 952873822 OWQPUNRDLYYQIL-CQSZACIVSA-N 299.459 0.879 0 50 CCAA COCCCN1CCC(CNC(=O)c2ccnn2C)CC1 952964919 OZLFECJMQRPAFF-UHFFFAOYSA-N 294.399 0.898 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)Cc1cccnc1C 886077899 JMABOVONHSDXQZ-HNNXBMFYSA-N 291.351 0.425 0 50 CCAA CCn1nc(C)c(CNC(=O)[C@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)n1 1775960773 CFBKBZNVTFTRNF-KXNHARMFSA-N 277.372 0.596 0 50 CCAA CCN1C[C@H](NC(=O)Cc2nonc2C)C(C)(C)C1 977404162 BTTAFYMJYUNSNE-NSHDSACASA-N 266.345 0.767 0 50 CCAA CN1CCC(NCc2cn(-c3ccn(C)n3)nn2)CC1 899714764 XMSYPUOSUHMULV-UHFFFAOYSA-N 275.360 0.185 0 50 CCAA C[C@H](CN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O)CS(C)(=O)=O 249363419 AIOYZAMMXMJFFF-ZEPSMKPISA-N 273.398 0.368 0 50 CCAA O=C(NCCCc1ccccc1)N[C@@H]1CNCC[C@@H]1O 1565510421 JWCAZRJKGKGITM-KGLIPLIRSA-N 277.368 0.641 0 50 CCAA CC1(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 675513914 ARTZZVLUQRRWHE-UHFFFAOYSA-N 288.351 0.629 0 50 CCAA CC(C)(NC(=O)c1cn(CC(N)=O)nn1)C1CCC1 514611649 OMULIWYEVSSNFH-UHFFFAOYSA-N 265.317 0.072 0 50 CCAA O=C(NS(=O)(=O)c1cc[nH]n1)c1ccc(F)cc1 170089816 RASXVVSNQYIWJY-UHFFFAOYSA-N 269.257 0.668 0 50 CCAA CCC[C@@H](C)CS(=O)(=O)NCC(F)(F)CN 186988378 OQPJIZRKSUNMLH-MRVPVSSYSA-N 258.334 0.936 0 50 CCAA CN(C[C@H]1CCn2ccnc2C1)C(=O)CN1CCOCC1 681913495 ZUNJUXHYZSSZQE-ZDUSSCGKSA-N 292.383 0.236 0 50 CCAA CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 408144506 MAFKUKLHVJPHOL-NEPJUHHUSA-N 295.383 0.515 0 50 CCAA CS(=O)(=O)C1(C(=O)N[C@H]2CCCc3c[nH]nc32)CC1 408206839 USGKVNJRFGBVEH-VIFPVBQESA-N 283.353 0.481 0 50 CCAA Cn1cc(C(=O)NCC(=O)O)c(-c2cccs2)n1 190530353 MLLWBTDHYJPABM-UHFFFAOYSA-N 265.294 0.963 0 50 CCAA C[C@H]1CC[C@H](Cn2nnn(-c3ccccc3)c2=O)O1 190618591 GCCARBUVJDIBAS-CMPLNLGQSA-N 260.297 0.997 0 50 CCAA CCN1CC[C@H](N2CCN(c3ccnc(C)n3)CC2)C1=O 660279692 IBYNCLBPAQIHKR-ZDUSSCGKSA-N 289.383 0.528 0 50 CCAA CC(C)c1ocnc1C(=O)NC[C@H]1CNCCO1 97288828 GMJFSNXIZYPYFK-SECBINFHSA-N 253.302 0.516 0 50 CCAA CC(=O)NC(C)(C)C[C@@H](C)NCCCc1nn[nH]n1 1506399526 HDZTXLJILJAIEB-SECBINFHSA-N 268.365 0.415 0 50 CCAA Cc1cc(C(=O)O)nc(N2CCN(C)C(=O)[C@@H]2C)n1 1529089746 ASYZSABWHYGGNG-QMMMGPOBSA-N 264.285 0.150 0 50 CCAA COc1cc(S(N)(=O)=O)cc(C(=O)O)c1OC 2244036 YEVQOPOKMKTXMD-UHFFFAOYSA-N 261.255 0.049 0 50 CCAA in-vitro COc1nc(NCCN2CCC[C@H](C(N)=O)C2)ncc1F 1704330779 JVPXNEJXIYNAMC-VIFPVBQESA-N 297.334 0.234 0 50 CCAA Cc1c(Cl)c(C(=O)NC[C@@H]2CNCCO2)nn1C 566615097 GEYVUCPCEYHASU-QMMMGPOBSA-N 272.736 0.100 0 50 CCAA Cc1ccc(CC(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)cc1F 1704299140 MYJDMTSHRRSADH-WCQYABFASA-N 295.310 0.971 0 50 CCAA CCc1nncn1CCNC(=O)[C@@H]1CCCN[C@@H]1C1CC1 1615045081 QXVLOKSTNNATII-TZMCWYRMSA-N 291.399 0.735 0 50 CCAA CCn1nc(CO)c2c1CCN(CC[C@@H]1COCCO1)C2 1775980950 MDRBQWKPYMLMIM-GFCCVEGCSA-N 295.383 0.559 0 50 CCAA CCCCCn1cnc2c1c(=O)n(C)c(=O)n2C 12374150 HCUCUKHEABBVBB-UHFFFAOYSA-N 250.302 0.624 0 50 CCAA CC(C)CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 12382308 WRKDAHKZRLVCGI-UHFFFAOYSA-N 297.336 0.151 0 50 CCAA NC(=O)CNC(=O)[C@@H]1C[C@@]12CCOc1ccc(Cl)cc12 1857531613 SRMDBMJLZSKEEN-IINYFYTJSA-N 294.738 0.982 0 50 CCAA CN1C(=O)NCC12CN(C(=O)/C=C/c1ccccc1)C2 1857708139 HNSDMGIUSAYCJA-BQYQJAHWSA-N 271.320 0.936 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1O)C2 1875247590 XSANJQKMHHBXPV-MNOVXSKESA-N 277.324 0.190 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)Cc1ccc(C)nc1 643944207 XUVOUDDQEGOFNV-OAHLLOKOSA-N 291.351 0.425 0 50 CCAA Cc1nn(C)c(C)c1CNC(=O)[C@H]1C[C@H](F)CN1 188369827 BOQPXNJNIPMUPW-GXSJLCMTSA-N 254.309 0.353 0 50 CCAA Cn1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)ccc1=O 91915144 OKVFUTQXMJFTQP-NEPJUHHUSA-N 261.325 0.195 0 50 CCAA CNS(=O)(=O)CCNc1nccc(C(C)(C)C)n1 386357814 PXOMLCGXCDPBKD-UHFFFAOYSA-N 272.374 0.735 0 50 CCAA O=C1NC[C@H]2CN(CC(=O)N3CCc4ccccc43)C[C@@H]12 2356146180 VTGFVQAKTQGQPB-QWHCGFSZSA-N 285.347 0.254 0 50 CCAA C[C@H](O)CNC(=O)C(=O)NCCc1ccc(Cl)cc1 2906451 CUYOPWZNJNVFTH-VIFPVBQESA-N 284.743 0.496 0 50 CCAA O=CN1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 100552045 HNLOCPQNADFVSJ-CYBMUJFWSA-N 287.319 0.093 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1ccncc1 105055343 NJOCHFDYBDTNNY-WYUUTHIRSA-N 274.276 0.352 0 50 CCAA O=C1C[C@@H](C(=O)N2CCCCO2)CN1Cc1ccccn1 20149213 CXMUWUHPDJJLGV-GFCCVEGCSA-N 289.335 0.984 0 50 CCAA CN(Cc1ccccc1-n1cccn1)C[C@@H](O)CO 65491466 GHQWSHZJUHRJBJ-CYBMUJFWSA-N 261.325 0.657 0 50 CCAA O=C1CCN(C(=O)c2cccc(OCC(F)F)n2)CCN1 126421725 VDAVPTLHWFYTTB-UHFFFAOYSA-N 299.277 0.688 0 50 CCAA O[C@H]1CN(c2ncc(Cl)cn2)C[C@H]1N1CCCC1 252477982 YZQAIIKNNQXPBJ-MNOVXSKESA-N 268.748 0.775 0 50 CCAA COC[C@H](C)NC(=O)CN(C)[C@H]1CCCc2c1cnn2C 252517466 JCPQUGPMRVOFHR-AAEUAGOBSA-N 294.399 0.880 0 50 CCAA C[C@H](CC(=O)N1CC(C)(O)C1)N1CCCCC1=O 328678420 BDTQGQFBDWOPRV-SNVBAGLBSA-N 254.330 0.371 0 50 CCAA CCc1nc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)n[nH]1 328998894 WZTSDOIOYJBXGE-UTUOFQBUSA-N 280.372 0.729 0 50 CCAA COCCN1CC[C@H](CNC(=O)c2cc(CO)ccn2)C1 215685024 KLHBZSFMQWQHCV-CYBMUJFWSA-N 293.367 0.272 0 50 CCAA CN1CCO[C@@H](C(=O)Nc2cc(C(=O)N(C)C)ccn2)C1 330393297 HXVLKOGQIGKQIO-LLVKDONJSA-N 292.339 0.053 0 50 CCAA Cc1cc(N2CCC[C@H](NC(=O)C(=O)O)C2)nc(C)n1 364031167 SZADTVCDENRUDX-JTQLQIEISA-N 278.312 0.263 0 50 CCAA CCOC(=O)C(C)(C)NC(=O)[C@H]1C[C@]12CCNC2 369815057 WEAFQYNLKAIJNL-RNCFNFMXSA-N 254.330 0.444 0 50 CCAA CC1(C)CN(C(=O)[C@@H](N)C2CCOCC2)CCCO1 374602644 PACGKLXYOBVBBI-LBPRGKRZSA-N 270.373 0.768 0 50 CCAA O[C@H](Cn1nnc(-c2cccnc2)n1)C(F)(F)F 158178197 QKDNBNONUJJLDM-SSDOTTSWSA-N 259.191 0.658 0 50 CCAA Cc1nc(N2CCCC(CO)(CO)C2)c2cnn(C)c2n1 72135555 ZKSUHJOBKAMZEI-UHFFFAOYSA-N 291.355 0.243 0 50 CCAA COCn1ccnc1CN1CCC2(CC1)OCCC[C@H]2O 219594797 IPZWOXPKQCTWKI-CYBMUJFWSA-N 295.383 0.993 0 50 CCAA Cc1nc(CN(C)C(=O)[C@H]2CCC[C@@H](O)C2)no1 219625965 HAJMDADKXYMXCF-VHSXEESVSA-N 253.302 0.888 0 50 CCAA O=C(c1ccccc1Cn1cncn1)N1CCCNCC1 178363025 FFLAAJGMWIZROH-UHFFFAOYSA-N 285.351 0.762 0 50 CCAA COc1ncc(C(=O)N[C@H]2CCc3c[nH]nc3C2)cn1 426693848 SXITZLDSPFONPJ-JTQLQIEISA-N 273.296 0.496 0 50 CCAA CC(C)Cc1cc(C(=O)NC(C)(CO)CO)n(C)n1 82156339 GLJHUJFGWBBGNC-UHFFFAOYSA-N 269.345 0.092 0 50 CCAA COCCC1(C(=O)NCc2nnc(S)n2C)CC1 161632492 VDAGTULSCCVKJZ-UHFFFAOYSA-N 270.358 0.537 0 50 CCAA Cc1ccc(C(=O)NCCc2nccn2C)c(=O)n1C 426641313 CTWNZLHWYAEHFY-UHFFFAOYSA-N 274.324 0.400 0 50 CCAA C[C@@H](C(=O)NCCc1noc(C2CC2)n1)N(C)C 426371194 QYTYTJOIPUVTJG-QMMMGPOBSA-N 252.318 0.556 0 50 CCAA CCNc1ncc(C(=O)NCCc2ncnn2C)cn1 95392332 XPKGXFJCIVLAEB-UHFFFAOYSA-N 275.316 0.009 0 50 CCAA C[C@H](NC(=O)CN1C(=O)CNC1=O)C1=CCCCC1 95383825 GQIGJVMJFPEWCM-VIFPVBQESA-N 265.313 0.543 0 50 CCAA CCCc1nnc(N2CCN(C[C@H](O)CN(C)C)CC2)o1 95382793 BNEJGLKSBVCFBR-GFCCVEGCSA-N 297.403 0.067 0 50 CCAA CN1CCN(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)CC1 239433646 YGPRXDQZUXRSHD-WUHRBBMRSA-N 293.367 0.178 0 50 CCAA CC[C@H](NC(=O)c1cc(=O)cc(C)n1C)[C@H]1C[C@H](O)C1 244858512 VMOHQRHYJZGROK-DRZSPHRISA-N 278.352 0.973 0 50 CCAA Cn1nnc(-c2cccc(NC3=CC(=O)NC3)c2)n1 524732385 XVWOYAPBLTUTAO-UHFFFAOYSA-N 256.269 0.303 0 50 CCAA OC[C@@H]1CCCN1c1cc(NC[C@H]2COCCO2)ncn1 299754169 JXXLCXXXKCCPOO-RYUDHWBXSA-N 294.355 0.265 0 50 CCAA CCCn1ccnc1CNC(=O)CCCn1cnnn1 534667756 LRYDGFHPZCWVGU-UHFFFAOYSA-N 277.332 0.376 0 50 CCAA Cc1nnnn1CCC(=O)N[C@@H](c1nccn1C)C(C)C 534675383 FYTZKITYIWBEMM-GFCCVEGCSA-N 291.359 0.619 0 50 CCAA Cc1nonc1CC(=O)N1CCC[C@@H]1C1(O)CC1 1857693257 OMTHLJMPZFOOAN-SNVBAGLBSA-N 251.286 0.436 0 50 CCAA Cc1nn(C)cc1CN(C)C(=O)CSc1nnnn1C 584890428 HAMOPMZLKVXKKG-UHFFFAOYSA-N 295.372 0.003 0 50 CCAA O=C(CCn1cnc2cnccc2c1=O)N1CCCC1 670473106 XZZYCPBGLQHORE-UHFFFAOYSA-N 272.308 0.804 0 50 CCAA CC(C)(C(=O)N[C@@H]1COC[C@@H]1n1ccnn1)[C@@H]1CCCO1 1875392292 HNSGIZYDNBAWMP-WOPDTQHZSA-N 294.355 0.539 0 50 CCAA Cn1cc(Cl)nc(N[C@@H]2CCOC[C@@H]2F)c1=O 1875328929 SUDSDJBNOHXRHY-NKWVEPMBSA-N 261.684 0.973 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCCc2cnccn2)CC1 1875365009 HAGRZPZCUHAUDR-UHFFFAOYSA-N 288.351 0.560 0 50 CCAA C=CC(=O)N(C)CC(=O)Nc1cnn(C)c1CC 1875366303 SQIOYZDBLALSQO-UHFFFAOYSA-N 250.302 0.565 0 50 CCAA CCn1nc(C(=O)NC(CO)CO)c2c1[C@H](C)O[C@H](C)C2 1875404063 SNHGBSWXWAOWAW-BDAKNGLRSA-N 297.355 0.008 0 50 CCAA C[C@H]1CN(CCn2cc([C@@H](O)C3CC3)nn2)C[C@@H](C)O1 952882096 PFDLPWMIZZLFKY-WDMOLILDSA-N 280.372 0.831 0 50 CCAA Cc1cc(S(=O)(=O)NOCC(=O)O)c2ncccc2c1 1875253755 AUOYQPCUZHJHQQ-UHFFFAOYSA-N 296.304 0.838 0 50 CCAA O=C(NCCC(=O)N1CC=CCC1)c1ncccc1O 1875257954 INQQTOUFRQZFPM-UHFFFAOYSA-N 275.308 0.696 0 50 CCAA Cc1ncc(CNCCCN2CCC[C@H](CO)C2)cn1 952974677 WMHDFTYOGUDMCN-AWEZNQCLSA-N 278.400 0.969 0 50 CCAA CN(Cc1ccccc1Cl)C(=O)Cn1[nH]nnc1=N 952978582 YSICAUMBRYDYBE-UHFFFAOYSA-N 280.719 0.398 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)[C@H](C)Cn1cccn1 952968720 LEBCKHAQXLXGGO-LLVKDONJSA-N 280.372 0.940 0 50 CCAA CCn1nc(C(=O)NOCc2cccc(C)n2)ccc1=O 898936275 UVDCIJDQBWGQJU-UHFFFAOYSA-N 288.307 0.828 0 50 CCAA CNC1(CNc2cc(CC(=O)OC)ncn2)CCC1 1775994282 KJBLJJWQRCPJJN-UHFFFAOYSA-N 264.329 0.746 0 50 CCAA C[C@H]1CN2CCCC[C@H]2CN1C(=O)CCc1nn[nH]n1 631360493 NSVSDHSIZXGRNM-QWRGUYRKSA-N 278.360 0.218 0 50 CCAA C[C@H](Cn1cccn1)NC(=O)c1c[nH]nc1[C@H]1CCOC1 275271991 JLPVWYRBGKHVRR-MNOVXSKESA-N 289.339 0.929 0 50 CCAA COc1cc(C(=O)N2CCC[C@H](N(C)C)CC2)nn1C 277150776 IOYJBUXASHPTET-NSHDSACASA-N 280.372 0.985 0 50 CCAA Cc1ccc(CN(C)C(=O)[C@H]2CC[C@H](C(N)=O)O2)cc1 170607859 VQCQSYDQQXGFNT-CHWSQXEVSA-N 276.336 0.986 0 50 CCAA C[C@@H]1Cc2cc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)ccc2O1 1594614881 ILECQVIDVROTCU-RWYTXXIDSA-N 279.292 0.574 0 50 CCAA O=C(c1ccc2c(c1)COB2O)N1CC[C@@H](n2cccn2)C1 584993141 WHQBVPBUPZVIEP-CYBMUJFWSA-N 297.123 0.188 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)Nc1cncnc1 408254286 MBJTYXYMQHTMCE-VIFPVBQESA-N 252.299 0.337 0 50 CCAA CS(=O)(=O)C1(C(=O)N2CCCn3nccc32)CCC1 408348636 JDXIVUVJVYZCKG-UHFFFAOYSA-N 283.353 0.587 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(O)nc1 408522673 LLFGGAKNZXLSTK-GFCCVEGCSA-N 291.351 0.703 0 50 CCAA CC(C)c1n[nH]c(Cn2cc(C[C@H](O)C3CC3)nn2)n1 641171332 QQAUXDGGROVSGK-NSHDSACASA-N 276.344 0.881 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ccncc2)C1 643755484 VPRHGMBMUHSMAX-HNNXBMFYSA-N 277.368 0.887 0 50 CCAA C[C@@H](Nc1ccc(C(N)=O)nn1)C1CCOCC1 230218068 FNKLINKVSMXCPK-MRVPVSSYSA-N 250.302 0.803 0 50 CCAA COC(=O)[C@]1(C)CCCN1CCC(=O)N1CCN(C)CC1 252507304 WGTXVXCDTPSKKP-HNNXBMFYSA-N 297.399 0.178 0 50 CCAA N[C@H](C(=O)N(CCO)Cc1ncc[nH]1)C1CCCCC1 1704315559 KFBWOMJXBHJAFL-ZDUSSCGKSA-N 280.372 0.638 0 50 CCAA NC(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OCC1CC1 1616038022 DKMOLSKXMHQAEW-CHWSQXEVSA-N 292.335 0.580 0 50 CCAA COc1ccnc(CNC(=O)[C@H](O)CCSC)c1 215396989 NHTDFFFGUXZCLN-LLVKDONJSA-N 270.354 0.820 0 50 CCAA COc1cc(OC)nc(N2C[C@@H]3CCCN3C(=O)[C@@H]2C)n1 1772710555 XOTMALKLSBCPSX-UWVGGRQHSA-N 292.339 0.693 0 50 CCAA OC[C@H](O)C1CCN(c2nnnn2-c2ccccc2)CC1 1772811199 QZVMTRGARZDIGY-ZDUSSCGKSA-N 289.339 0.232 0 50 CCAA NC1=NC(=O)[C@H](CC(=O)NCc2ccccc2)S1 18136832 DDIPBYADEICMPZ-VIFPVBQESA-N 263.322 0.650 0 50 CCAA O=C1NC[C@H](C(=O)N2CCCN(C3CCCC3)CC2)N1 1857693442 XCUZGINBVXZVKP-GFCCVEGCSA-N 280.372 0.145 0 50 CCAA Cn1ncc2c(O)nc(N3C[C@H](O)C4(CC4)C3)nc21 547960686 BLUKPDZIYKFTIE-QMMMGPOBSA-N 261.285 0.030 0 50 CCAA CO[C@@H]1CN(C(=O)C2=C(C)OCCC2)C[C@H]1c1cnn[nH]1 818519866 CAYOFXFHXUWGSK-WCQYABFASA-N 292.339 0.830 0 50 CCAA COc1cncc(N2CCN(Cc3cnon3)CC2)c1 931210035 BXJLZOHPMYKMRM-UHFFFAOYSA-N 275.312 0.795 0 50 CCAA C[C@@H]1OCCO[C@@H]1C(=O)Nc1ccnc2ccnn12 933044518 WTVXJVXBXSIDIT-KWQFWETISA-N 262.269 0.472 0 50 CCAA COC(=O)c1ccc(N2CC[C@](F)(CO)C2)nn1 253392905 KNFIRXOVIIXSGP-LLVKDONJSA-N 255.249 0.174 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@@H]1COc2ccccc2C1 268912551 OHOMHTGTMZDSTI-HBNTYKKESA-N 261.277 0.827 0 50 CCAA CN(CC(C)(CO)CO)C(=O)c1ccoc1Cl 277705268 IJPIXCJGSKKSPI-UHFFFAOYSA-N 261.705 0.996 0 50 CCAA O=S(=O)(c1cc[nH]n1)N1CCC(F)(F)CC1 404772684 AEFXDBNRIBIANA-UHFFFAOYSA-N 251.258 0.830 0 50 CCAA C[C@@H]1CC[C@@H](C)N(S(=O)(=O)C[C@H]2CNCCO2)C1 310943264 LTMVHFAIPLADHJ-IJLUTSLNSA-N 276.402 0.425 0 50 CCAA COCCS(=O)(=O)N1CCC[C@H](CCO)CC1 332061957 ZBALWHQDXCUOEP-NSHDSACASA-N 265.375 0.447 0 50 CCAA COC(=O)NC1CN(C(=O)Nc2cnn3cccnc23)C1 2325818603 MHPVRLOSGPQGAV-UHFFFAOYSA-N 290.283 0.301 0 50 CCAA Cc1nonc1CC(=O)N[C@H]1CC[C@@H](c2nc(=O)o[nH]2)C1 2325822013 WSSCCXKWPGPHCA-SFYZADRCSA-N 293.283 0.049 0 50 CCAA C[C@@H](O)CN(CCc1ccccc1)S(=O)(=O)O 2090536 WUQFINARPMQIHN-SNVBAGLBSA-N 259.327 0.715 0 50 CCAA biogenic CCCCCOC(=O)CSc1nnc(=O)[nH]c1O 8671189 MBEUOYQJKDMOBL-UHFFFAOYSA-N 273.314 0.696 0 50 CCAA O=C(C[C@@H]1NCCNC1=O)Nc1cccc(F)c1 9698277 SNCPIVIYQHIHFH-JTQLQIEISA-N 251.261 0.242 0 50 CCAA CN1CCN(C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1 100001786 UOVMFIQDEOSINK-YFKTTZPYSA-N 264.325 0.283 0 50 CCAA CN1CCN2C[C@@H](NC(=O)c3ccnc(Cl)c3)C[C@H]2C1 67712835 UUMXWOXHZPEITQ-RYUDHWBXSA-N 294.786 0.853 0 50 CCAA CN1C[C@@H](n2cnnc2)c2sccc2S1(=O)=O 65536581 BHYFZCKVVUDMQH-SSDOTTSWSA-N 270.339 0.563 0 50 CCAA Cn1ncc2c(O)nc(N3CC4(CCOC4)C3)nc21 328737813 HFCWMCBRAFSKSY-UHFFFAOYSA-N 261.285 0.296 0 50 CCAA Nc1cccc(C(=O)NCCCCCN2CCOCC2)n1 218887726 BLPSEPWSSLCMFX-UHFFFAOYSA-N 292.383 0.896 0 50 CCAA Cc1c(C(=O)N(C)CCC(N)=O)ccc2cncn12 1328631408 ZIEHTRLNOLBMMS-UHFFFAOYSA-N 260.297 0.590 0 50 CCAA Cn1ncc2c(N3CCNC(=O)C3)nc(C(C)(C)C)nc21 72145227 RIYKSKMNGPBCLL-UHFFFAOYSA-N 288.355 0.597 0 50 CCAA CCN(CC)S(=O)(=O)CC(=O)N[C@H](C)CCC(=O)O 262173968 QYRJDFFMCKTIIF-SECBINFHSA-N 294.373 0.028 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1cccc(Cl)n1 133715822 JTAHPWYQACXBKY-IUCAKERBSA-N 255.705 0.452 0 50 CCAA C[C@@H](C(=O)O)N(C)S(=O)(=O)c1cnn(CC(F)F)c1 262454005 GMTKSQSKRKHQJO-LURJTMIESA-N 297.283 0.242 0 50 CCAA CO[C@@H](C(=O)N1CCC(O)(C(=O)O)CC1)c1ccccc1 262517785 QCENDTFOAAVAIL-GFCCVEGCSA-N 293.319 0.812 0 50 CCAA CC[C@H](C(=O)N[C@@H]1CCC[C@H]1CN)N1CCCC1=O 262589008 QEKRXNUEEFTZLE-QJPTWQEYSA-N 267.373 0.631 0 50 CCAA CCC(=O)Nc1nnc(S(=O)(=O)NC2CC2)s1 72437036 FCBOZFFGAJMQFD-UHFFFAOYSA-N 276.343 0.327 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccoc2Cl)C1 284701817 XUZJWJBLFVFLMU-XPUUQOCRSA-N 272.688 0.648 0 50 CCAA CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1C 72168978 BGWDHOPQLLUJJT-VXGBXAGGSA-N 294.351 0.649 0 50 CCAA CNC(=O)c1ccc(N2C[C@H](COC)OC(C)(C)C2)nn1 285238431 YLBFOMALHCQVLE-SNVBAGLBSA-N 294.355 0.466 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)c1csc(C)n1 220504796 RVHSSMQGTQUXFP-PSASIEDQSA-N 256.327 0.985 0 50 CCAA O=C(N[C@H]1CNCC[C@H]1O)c1c[nH]nc1-c1cccs1 426647406 XDTHUECZSMYDFV-VHSXEESVSA-N 292.364 0.591 0 50 CCAA CN(CC(=O)NCCCn1cccn1)Cc1cccnc1 220410561 GBHSXTWCEXNLNO-UHFFFAOYSA-N 287.367 0.916 0 50 CCAA OCc1cn([C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)nn1 292637860 ASNUGOSBOWLSJV-LLVKDONJSA-N 299.338 0.883 0 50 CCAA Cc1c(C(=O)NCc2nnn[nH]2)c2cc(O)ccc2n1C 97785503 NCYTWARORJIVQA-UHFFFAOYSA-N 286.295 0.635 0 50 CCAA COCCN(C)C[C@H]1C[C@H](CO)CN(C(=O)C=C(C)C)C1 91585860 XSRLSWCEEYXYNC-CABCVRRESA-N 298.427 0.988 0 50 CCAA CN1CCCCC[C@@H]1C(=O)NCCCn1cnnc1 95390484 KZUZLRKPEXVMMT-GFCCVEGCSA-N 265.361 0.659 0 50 CCAA COCCN(C)CC(=O)N1CCC[C@](CO)(CC2CC2)C1 91644345 REUVDZNTKUBSHQ-INIZCTEOSA-N 298.427 0.966 0 50 CCAA CN1CCN(C(=O)c2ccc(C3CCNCC3)nc2)CC1 242750516 ZPKRVXRJGSELSP-UHFFFAOYSA-N 288.395 0.936 0 50 CCAA CN(CC(=O)NCCCc1ncc[nH]1)Cc1ccccn1 244678422 ICHBIYWDXRBCBA-UHFFFAOYSA-N 287.367 0.986 0 50 CCAA CN(CCN1CCCCC1=O)CCn1cc[nH]c1=O 244817093 SUGFTZZIFIOYNT-UHFFFAOYSA-N 266.345 0.121 0 50 CCAA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1ncn[nH]1 252536554 IVXFVLOBBZFWNQ-GRYCIOLGSA-N 287.323 0.312 0 50 CCAA CC(C)(C)c1nsc(N2CCC([C@@H](O)C(N)=O)CC2)n1 299751835 RYIAGRYBBPUVRV-SECBINFHSA-N 298.412 0.898 0 50 CCAA Cn1cc(Cl)c(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)n1 534585982 ZIBOIERVRXTHOS-QWRGUYRKSA-N 298.774 0.667 0 50 CCAA O=C(C[C@@H]1CNCCO1)N1CCC(Cn2ccnc2)CC1 534655181 SKCAYKMRVCYIQJ-CQSZACIVSA-N 292.383 0.500 0 50 CCAA C[C@@H](CCNC(=O)Cc1ccncc1)N1CCN(C)CC1 534660522 XJRTYLCQOVLMOX-AWEZNQCLSA-N 290.411 0.766 0 50 CCAA CCSCC(=O)N1CCc2c(c(C(N)=O)nn2C)C1 299769631 ORHAARGUGBYGOG-UHFFFAOYSA-N 282.369 0.157 0 50 CCAA CCOC(=O)c1c(C)nc(N2C[C@@H](O)[C@@H]2C)nc1C 1875316278 FQTPLFIGNQGODA-VHSXEESVSA-N 265.313 0.840 0 50 CCAA CCC[C@@H]1C[C@H]1CNC(=O)N[C@H]1CCn2nnnc2C1 1875306846 DNPXINGDTDWYBR-VWYCJHECSA-N 278.360 0.723 0 50 CCAA CCn1nnc(=NC(=O)[C@@H](OC)c2cc(F)cc(F)c2)[nH]1 1875276110 QAOZMOCWQFFUNV-JTQLQIEISA-N 297.265 0.719 0 50 CCAA Cn1nc(C(=O)NC[C@H]2CCCC[C@H]2O)c2c1CCOC2 1875290656 VQSPUQAKNZHOGM-ZWNOBZJWSA-N 293.367 0.774 0 50 CCAA C[C@H](Cn1cccn1)C(=O)NCCc1nnc(N)s1 952870165 WGPHGESBJSOXSN-MRVPVSSYSA-N 280.357 0.312 0 50 CCAA CCn1cc(CNCCN2CCCC[C@@H]2CO)cn1 952967264 LEJCVLOROJBJSG-CQSZACIVSA-N 266.389 0.839 0 50 CCAA O=C(Nc1cc(CC2CC2)[nH]n1)[C@]12CNC[C@H]1CCOC2 1775592878 KGBGCMNJIYGSBL-ABAIWWIYSA-N 290.367 0.927 0 50 CCAA c1cn2[nH]c(=N[C@@H]3CCN(Cc4cc[nH]n4)C3)ccc2n1 548022415 NQRSBCHGFNJBHC-LLVKDONJSA-N 283.339 0.561 0 50 CCAA C[C@H](NC[C@@H](C)CO)c1cccc(S(N)(=O)=O)c1 86627980 CTKJGCBKFCDSKI-ZJUUUORDSA-N 272.370 0.613 0 50 CCAA CC[C@@H]1CN(S(=O)(=O)c2cn[nH]c2)CCN1C 104362922 CTILMSIRBVEYTM-SECBINFHSA-N 258.347 0.124 0 50 CCAA Cc1ccncc1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1 651978762 DDBMJFTYZIOHMU-NSHDSACASA-N 286.339 0.908 0 50 CCAA Cc1cccc(CN(C)C(=O)C2(S(N)(=O)=O)CC2)c1 565895403 RXDDBLYASMPOLU-UHFFFAOYSA-N 282.365 0.775 0 50 CCAA COc1ccc(S(=O)(=O)N2CCOC[C@H]2C2CC2)cn1 195438125 XHOARDJRCPQGRU-LBPRGKRZSA-N 298.364 0.890 0 50 CCAA CN(C)c1nccc(=NC[C@H](CO)[C@@H]2CCOC2)[nH]1 571349487 YFYDIJYFMDEOOU-GHMZBOCLSA-N 266.345 0.021 0 50 CCAA NC(=O)NC1CCN(C(=O)[C@@H](C(=O)O)C2CCCC2)CC1 663092539 QVKHAROZKSGPES-NSHDSACASA-N 297.355 0.537 0 50 CCAA COC(=O)C1(CN2C(=O)NCC(C)(C)C2=O)CC1 585122938 JYKUDDDIAYAQRM-UHFFFAOYSA-N 254.286 0.518 0 50 CCAA O=C(N=c1ccc(C2CC2)n[nH]1)NCCOC(=O)C1CC1 585119678 PKCRICTVBQUYGC-UHFFFAOYSA-N 290.323 0.851 0 50 CCAA Cc1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n(C)n1 97610124 VKUJLYHLEPBNKX-VHSXEESVSA-N 265.313 0.846 0 50 CCAA Cc1noc(=O)n1CC(=O)N[C@@H]1CCCC[C@@H]1C 1857528212 IEISOEASAIUEED-WCBMZHEXSA-N 253.302 0.840 0 50 CCAA CN(CC(=O)N1CCC(c2ccccc2)=N1)S(C)(=O)=O 112970130 KKLKCIXBHPKSCR-UHFFFAOYSA-N 295.364 0.514 0 50 CCAA COCc1ccnc(NC(=O)N[C@H](CO)C(C)C)n1 1615587373 KBSUQRZNGYQXME-SNVBAGLBSA-N 268.317 0.761 0 50 CCAA COc1ccnc(CNC(=O)[C@@H](O)CCSC)c1 215397036 NHTDFFFGUXZCLN-NSHDSACASA-N 270.354 0.820 0 50 CCAA CN1CC[C@@H]2CN(C(=O)c3ccc4nn[nH]c4c3)C[C@@H]2C1=O 1772804448 PEFIQZSUNSQZGS-MNOVXSKESA-N 299.334 0.508 0 50 CCAA CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N1CCCCO1 12593944 MZOMVDZKPUYFOT-CYBMUJFWSA-N 295.383 0.697 0 50 CCAA COc1ccc(-n2nnc(C(=O)NC(C)C)c2N)cc1 17070409 CGYTZOYDKGHQFF-UHFFFAOYSA-N 275.312 0.996 0 50 CCAA O=C1C[C@H]2NCC[C@H]2N1CCc1nc(-c2ccccn2)no1 1857690413 BIVOHIBTEUUEPQ-VXGBXAGGSA-N 299.334 0.637 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cnnc(C)c1 644061367 NMRHUGPQMNFGMG-AWEZNQCLSA-N 292.339 0.152 0 50 CCAA CCCn1c(=O)c2c(nc3n2CC(C)=NN3C)n(C)c1=O 8724543 OAURWNLFTUAOEG-UHFFFAOYSA-N 290.327 0.132 0 50 CCAA C/C=C/SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O 15261401 MUFSTXJBHAEIBT-ZASJQLQOSA-N 290.341 0.015 0 50 CCAA endogenous,in-man CNC(=O)[C@@]1(COC)CCCN1Cc1nonc1C 818264793 ISKZAFSRNVRDSJ-LBPRGKRZSA-N 268.317 0.105 0 50 CCAA Cn1nccc1S(=O)(=O)N[C@@H]1Cc2ccccc2[C@H]1N 903549863 JGEZNRPEKZBSMG-DGCLKSJQSA-N 292.364 0.323 0 50 CCAA O=C(CCc1nc2ccccc2[nH]1)N1C[C@H](O)C[C@@H](O)C1 2356146387 DCDFZMPOPDWPRV-GHMZBOCLSA-N 289.335 0.450 0 50 CCAA Cc1nnsc1C(=O)N1CCC2(CC1)CN(C)CCO2 2356150002 HPJCZYWJQCLNFS-UHFFFAOYSA-N 296.396 0.783 0 50 CCAA O=C(Cc1n[nH]c2ccccc12)NC[C@H]1COCO1 861968036 OOZNRPSCNCBOHI-VIFPVBQESA-N 261.281 0.595 0 50 CCAA NC(=O)C1CCN(C(=O)NCc2ccco2)CC1 9874442 JPJWOHYHFOKIMM-UHFFFAOYSA-N 251.286 0.687 0 50 CCAA CCN1C[C@H](C(=O)NCCc2nccs2)CC1=O 50450831 RVWXIPZXVIAMGS-SECBINFHSA-N 267.354 0.670 0 50 CCAA CN1[C@H]2CC[C@H]1CC(OC(=O)CCN1CCOCC1)C2 100334626 JBICFMQWCKPGRR-STQMWFEESA-N 282.384 0.877 0 50 CCAA biogenic O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 105055340 NJOCHFDYBDTNNY-KKOKHZNYSA-N 274.276 0.352 0 50 CCAA O=C(c1ccn2nnnc2c1)N1CC[C@@]2(CCCNC2)C1 67833516 XAYRJNOIHQDVTM-CQSZACIVSA-N 286.339 0.340 0 50 CCAA CC(C)N1CC[C@@H](NC(=O)NC[C@H]2CCCO2)C1 252505367 LTSGIXRJTRXFNV-VXGBXAGGSA-N 255.362 0.947 0 50 CCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)Cc1cnc(C)s1 354680705 UCNUEGDXCGYISO-CMPLNLGQSA-N 297.380 0.392 0 50 CCAA CNC(=O)CC(=O)N1CCC[C@H](OCC2CC2)C1 364461409 LTUDWIGCTWAFGV-NSHDSACASA-N 254.330 0.540 0 50 CCAA CCc1nc(CN2CCc3nnc(N(C)C)cc3C2)n[nH]1 368360927 LCUUPYOTGWLKIH-UHFFFAOYSA-N 287.371 0.781 0 50 CCAA O=C(c1ccc(-n2ccnn2)cc1)N1C[C@@H](F)C[C@H]1CO 331971553 UPOKFCVHGNPPOS-AAEUAGOBSA-N 290.298 0.812 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O 35024354 AYMLQYFMYHISQO-QMMMGPOBSA-N 255.274 0.930 0 50 CCAA Cc1nn(CC(=O)N2CC[C@H](O)[C@@H](O)C2)c(C)c1Cl 72128198 BAAWHJBCFMGJCW-UWVGGRQHSA-N 287.747 0.107 0 50 CCAA Cc1nnc(NC(=O)[C@@]2(C)CCC(=O)NC2)n1C1CC1 375577275 FZQVVHWQUUNLIP-ZDUSSCGKSA-N 277.328 0.776 0 50 CCAA CC1(C)[C@H]2CN(C(=O)c3cn(C4CCNCC4)nn3)C[C@@H]21 262606304 BWRWAJBBKRAQJR-RYUDHWBXSA-N 289.383 0.931 0 50 CCAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)N[C@H]4[C@@H]5CNC[C@@H]54)[C@@H]1[C@H]3C2 333782443 DXIUCYYLSCSMSM-MGPSDTEMSA-N 277.368 0.269 0 50 CCAA C[C@@H](N)C(=O)N(C)Cc1ccccc1N1CCOCC1 237442756 OKTRVOQOLVUZCA-GFCCVEGCSA-N 277.368 0.829 0 50 CCAA CC(=O)c1cc(C(=O)N2CCOC[C@H]2CC(=O)O)n(C)c1 129357376 AERHCOASQBCPAR-LLVKDONJSA-N 294.307 0.543 0 50 CCAA O=C(NCCn1cccn1)[C@H]1CCCCN1C(=O)C1CC1 221346679 IBKIVMWDUKCCRL-CYBMUJFWSA-N 290.367 0.790 0 50 CCAA O=S(=O)(CCO)c1nc(CCC2CCCC2)n[nH]1 176949552 FLLBUXDSROMXLR-UHFFFAOYSA-N 273.358 0.694 0 50 CCAA C[C@@H]1CCc2c(sc(=O)n2Cc2nnn(C)n2)C1 289388825 MHLXCSFUEJZEGM-SSDOTTSWSA-N 265.342 0.606 0 50 CCAA C[C@H](C(=O)NCCN1CCCOC1=O)n1ccnc1 426737522 OKIVAJDWSAYLDW-SNVBAGLBSA-N 266.301 0.403 0 50 CCAA Cc1cccc(CCN2C[C@@H]3CN(C)C[C@]3(C(=O)O)C2)n1 96136165 NKRGTIODZUVVPX-BBRMVZONSA-N 289.379 0.881 0 50 CCAA CNC(=O)c1ccc(Cn2cc(-c3nccn3C)nn2)o1 91269660 YAVLNJBAEOGBMP-UHFFFAOYSA-N 286.295 0.680 0 50 CCAA C[C@H]1CCCN(C(=O)CCN2CCCC2=O)[C@@H]1CN 237687479 SKSPVWCFIIHFQZ-NWDGAFQWSA-N 267.373 0.585 0 50 CCAA COCC(=O)N1CCC[C@@H](C(=O)NCCn2cccc2)C1 95378344 PAXJMHLXZSLXNP-CYBMUJFWSA-N 293.367 0.489 0 50 CCAA O=C(C1CCCC1)N1CC[C@]2(O)CCNC[C@@H]2C1 253495500 GUHWKEHXYBHXIT-TZMCWYRMSA-N 252.358 0.750 0 50 CCAA CCOC(=O)N1CC[C@H](NCc2nc(COC)no2)C1 534643464 UOPLBYQCHQYIPJ-VIFPVBQESA-N 284.316 0.536 0 50 CCAA CCOc1ccnc(NCCN2CCC(CO)CC2)n1 534650441 OLDYPDUOZTWTRH-UHFFFAOYSA-N 280.372 0.992 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2sccc2C)CN1 299791765 GNFXOEFVSLSTFO-IUCAKERBSA-N 268.338 0.690 0 50 CCAA Nc1nc(C(=O)NCCCN2CCC(O)CC2)cs1 299772075 XMJQIDSIADWPFJ-UHFFFAOYSA-N 284.385 0.302 0 50 CCAA CN(C)S(=O)(=O)NCc1nncn1C1CCCCC1 823725427 PJGSVGMOFIUADG-UHFFFAOYSA-N 287.389 0.679 0 50 CCAA CC(C)(O)Cn1ncnc1-c1ccc2nn[nH]c2c1 821528953 NLCSBBPJOQIWTC-UHFFFAOYSA-N 258.285 0.987 0 50 CCAA CSCc1noc(CNC(=O)[C@@H](C)Cn2cncn2)n1 820636560 BPLMBOYOGMHDAP-QMMMGPOBSA-N 296.356 0.477 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCCn2ccccc2=O)o1 584896764 KREATBUWTZSVCD-UHFFFAOYSA-N 288.303 0.930 0 50 CCAA CCN1CCN(CC(=O)N2CCCC[C@H]2C(=O)O)CC1 737116007 RPMDFYIUVXUDAJ-LBPRGKRZSA-N 283.372 0.090 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)CCc1cn[nH]c1 584903510 DLHAVTPQGYZGEO-JTQLQIEISA-N 292.343 0.458 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)[C@H](C)N1CCCC1 670454386 FDSXXICNXGAMNK-NSHDSACASA-N 269.389 0.892 0 50 CCAA CC(=O)NCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N(C)C2 670460963 FZBOSJRPGGLOIA-KBPBESRZSA-N 281.400 0.845 0 50 CCAA O=C1N[C@H](C(=O)O[C@@H]2Cc3ccccc3C2=O)CO1 859911204 FLPFEUGPNDAMNF-VHSXEESVSA-N 261.233 0.446 0 50 CCAA CN(C)C(=O)N1CCN(C2=NCCCS2)CC1 1875289272 COBVXALSXHWIFL-UHFFFAOYSA-N 256.375 0.779 0 50 CCAA C=CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1875374602 ABBWNORVSAPXTL-NXEZZACHSA-N 270.329 0.659 0 50 CCAA Cn1nnc2c(C(=O)N[C@@H](CC3CC3)C(=O)O)ccnc21 630160128 UZSFRCULKMDTGX-VIFPVBQESA-N 289.295 0.346 0 50 CCAA O[C@H]1CN(C2CCOCC2)CC[C@@H]1Nc1ncccn1 1565515807 URHXKGGXVHCSLO-STQMWFEESA-N 278.356 0.503 0 50 CCAA O=C(Nc1cc(F)cc(F)c1)N[C@H]1CNCC[C@@H]1O 1565510211 YXXHVZYKXCYYTJ-QWRGUYRKSA-N 271.267 0.809 0 50 CCAA CCc1nnc(N2CCO[C@H](CN(C)C)C2)nc1CC 302749146 TYOMTHFARMXBRB-LLVKDONJSA-N 279.388 0.763 0 50 CCAA Cc1ccc(C(=O)N2CCN[C@@H](C)C2)cc1S(N)(=O)=O 408519280 FDCJHDQVIJXPSL-JTQLQIEISA-N 297.380 0.076 0 50 CCAA c1cc([C@@H]2OCCC[C@H]2CN=c2ccc3nncn3[nH]2)n[nH]1 643790741 JIAIPNOZZMRSIV-IINYFYTJSA-N 299.338 0.849 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(C)on1 643953515 UEUIPVLFHHCHJW-ZDUSSCGKSA-N 281.312 0.350 0 50 CCAA Cc1cc(NC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)nnc1C 560401911 NDISYEFQMSEHJE-WUHRBBMRSA-N 286.335 1.511 0 50 CCAA CN(C(=O)c1ccc2c(c1)NC(=O)CO2)C1CC(N)C1 647072979 DUGMKOVOWFPUNP-UHFFFAOYSA-N 275.308 0.579 0 50 CCAA CC[C@@H]1C(=O)NCCN1C[C@H](OC)[C@H]1CCOC1 585094094 AIEKOZFESKQKLV-TUAOUCFPSA-N 256.346 0.248 0 50 CCAA Cc1ccnc(CNS(=O)(=O)N2CCCCC2)n1 585114970 HLAIHMPPNXWDCI-UHFFFAOYSA-N 270.358 0.605 0 50 CCAA C[C@H](CS(=O)(=O)N1CCC(CC(N)=O)CC1)C1CC1 1364786691 VOXZIGUCLWABCW-SNVBAGLBSA-N 288.413 0.950 0 50 CCAA CC(=O)N1CCc2nc(C(=O)NCC3CC3)cn2CC1 1875242836 DVVFAMAJTYNHQH-UHFFFAOYSA-N 276.340 0.428 0 50 CCAA COC1(OC)CC2(CN(C(=O)C3(O)COC3)[C@@H]2C(C)C)C1 1643979079 CMLMHTYHZHPSJX-LLVKDONJSA-N 299.367 0.384 0 50 CCAA COCCNC(=S)N1CCN(Cc2ccco2)CC1 2766659 ITWRIZXKXAJKCZ-UHFFFAOYSA-N 283.397 0.918 0 50 CCAA Cc1cc(N2CCO[C@H]3C[C@H](CO)C[C@@H]32)nc(=N)[nH]1 1857727499 UOEDHJPLEGQCKC-VWYCJHECSA-N 264.329 0.174 0 50 CCAA O=C1NCCC[C@]12CN(CCCn1ccnc1)CC[C@@H]2O 1857694410 ARQRKSYTCXEBLK-DZGCQCFKSA-N 292.383 0.236 0 50 CCAA COc1ccccc1CNC(=O)[C@H]1CC[C@@H](O)[C@H](N)C1 1857732959 OXRIJKNQUIPBBK-CYZMBNFOSA-N 278.352 0.800 0 50 CCAA Cc1cn(CCNC(=O)c2nc3ccccn3c2C)nn1 1875248460 RRTWLYMKWOSURF-UHFFFAOYSA-N 284.323 0.973 0 50 CCAA CCc1cnc(O)c(C(=O)N[C@H]2CCC(=O)N[C@H]2C)c1 614457282 YRWXAYHGDIXAIP-KWQFWETISA-N 277.324 0.747 0 50 CCAA CC(C)N1C[C@H](NC(=O)c2ncccc2O)CC1=O 265834510 VQPPMBOUEMKINK-SECBINFHSA-N 263.297 0.526 0 50 CCAA COc1cccc(CC(=O)NC[C@@]2(O)CCO[C@@H]2C)c1 228707555 YDALLSFVUUHOEI-ABAIWWIYSA-N 279.336 0.894 0 50 CCAA CO[C@H](C(=O)N[C@@H]1CCC[C@@H]1C(=O)O)[C@@H]1CCOC1 659154889 WGXVBKLRAQNUNC-YTWAJWBKSA-N 271.313 0.407 0 50 CCAA Cc1nonc1CN1C[C@H](O)[C@@H](N2CCCC2)C1 670462285 YQGZVMDBTXQVGM-RYUDHWBXSA-N 252.318 0.019 0 50 CCAA CN(Cc1nccs1)C(=O)C[C@H]1CNCCO1 388742475 IPZWKTRTXVEGRB-VIFPVBQESA-N 255.343 0.480 0 50 CCAA O=C(NCCCc1nn[nH]n1)c1n[nH]c2ccccc12 392574279 GZAMQHWKFIRVQC-UHFFFAOYSA-N 271.284 0.439 0 50 CCAA Cc1ccc(=NC(=O)N2CCN(c3ccncc3)CC2)[nH]n1 2325761179 RUBWEMHMNURLRX-UHFFFAOYSA-N 298.350 0.956 0 50 CCAA CCn1nnc(C)c1CN[C@@H](Cc1cc[nH]n1)C(=O)O 2325829897 VPNWSVUQKUAQAB-JTQLQIEISA-N 278.316 0.115 0 50 CCAA COC(=O)c1ccc2c(c1)CC[C@H](NC(C)=O)C(=O)N2 1456488019 RCOAVRXQGUSJOM-LBPRGKRZSA-N 276.292 0.863 0 50 CCAA COC[C@H](O)CN(C)c1cc(N2CCCC2)ncn1 225477163 AABXBKMPSPQJDN-LLVKDONJSA-N 266.345 0.520 0 50 CCAA CC(=O)N[C@@]1(C(C)=O)C(=O)N(C(C)=O)c2ccccc21 196720 QCYQFLZZSAUBBP-CQSZACIVSA-N 274.276 0.500 0 50 CCAA Cc1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1 443665 ULUOPJSMZSGINI-UHFFFAOYSA-N 270.354 0.849 0 50 CCAA NC(=O)C1CCN(C(=O)CN2CCc3ccccc32)CC1 2203579 VVKWHVJVJIJNTO-UHFFFAOYSA-N 287.363 0.773 0 50 CCAA COc1ccccc1NC(=O)CSc1nnnn1C 2995844 MUCFJCBCZAMXJL-UHFFFAOYSA-N 279.325 0.950 0 50 CCAA O=C(O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(Cl)cc1Cl 3080955 MQVYPODHCWDACC-HTQZYQBOSA-N 294.090 0.738 0 50 CCAA Cc1ccc(S(N)(=O)=O)c(C)c1NS(C)(=O)=O 4148008 JYSMJAPSSFVFHB-UHFFFAOYSA-N 278.355 0.322 0 50 CCAA O=C(O)CCS(=O)(=O)Cc1nc2ccccc2[nH]1 26476553 MCFPIFKHHQATFA-UHFFFAOYSA-N 268.294 0.952 0 50 CCAA O=S(=O)(C1CC1)N1CCO[C@@H](Cn2cccn2)C1 173139527 AHGWDTCRYJBISJ-JTQLQIEISA-N 271.342 0.076 0 50 CCAA O=C(NCCc1nc(=O)o[nH]1)[C@@H]1CC12CCCC2 333348746 VJIOTPMWFDPKIQ-QMMMGPOBSA-N 251.286 0.602 0 50 CCAA CCN(CCn1cccn1)C(=O)CN1CCC[C@H](O)C1 216287467 QSJDXAVKFRWPGS-ZDUSSCGKSA-N 280.372 0.188 0 50 CCAA Cn1cc(C(=O)N2CCC[C@H](n3ccnn3)C2)cn1 331842930 PJXNEKLRJBLGKL-NSHDSACASA-N 260.301 0.489 0 50 CCAA Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC[C@H](N)C1 237725400 DTMYNYFIFMXLQX-NWALNABHSA-N 268.748 0.955 0 50 CCAA O=C(c1cc[nH]c1C1CC1)N1C[C@H](O)C[C@H]1CO 334377465 WPWDYLOAJVQRMM-VHSXEESVSA-N 250.298 0.460 0 50 CCAA C[C@@H](N)C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 261813459 HEJGHLHITGRXSM-FOGDFJRCSA-N 265.357 0.336 0 50 CCAA O=C(CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)NCc1ccco1 375767968 KXKVCONLIUHSSV-CMPLNLGQSA-N 298.364 0.015 0 50 CCAA CN(C)C1(C(=O)N2CC[C@H](CN)C2)Cc2ccccc2C1 376789263 GHBXAYYEJZSNFB-CYBMUJFWSA-N 287.407 0.893 0 50 CCAA C[C@@H](NC(=O)c1cnn[nH]1)c1ccc(-n2cncn2)cc1 72145822 RYBDIBLGEWFHCD-SECBINFHSA-N 283.295 0.876 0 50 CCAA COCC[C@H]1COCCN1C(=O)c1ccc(OC)nc1 291177827 KMPSDBFTGDWBIX-LBPRGKRZSA-N 280.324 0.968 0 50 CCAA COc1ccc(C(C)=O)cc1NC(=O)C1=NCCN1 40456276 SXIAHFBCFIJLRB-UHFFFAOYSA-N 261.281 0.838 0 50 CCAA Cc1ccc(-c2noc(CN3CCCC3=O)n2)nn1 82106242 GJUAVWZIOWCVCX-UHFFFAOYSA-N 259.269 0.957 0 50 CCAA COc1ccc(C(=O)NCCSc2nnnn2C)cn1 223215405 WSLJCRMIEYSOMM-UHFFFAOYSA-N 294.340 0.136 0 50 CCAA COCCCN1CC[C@@H](CNC(=O)c2cc(C)nn2C)C1 97425387 JYGRWLJBOVCAEW-ZDUSSCGKSA-N 294.399 0.817 0 50 CCAA CC(C)[C@]1(O)CN(CCCn2cnnn2)C[C@H]1C 91974294 SZMAWGQSGXBPSD-VXGBXAGGSA-N 253.350 0.402 0 50 CCAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](O)C[C@H]12 149155524 NKMYDIXLLZQYJO-DDTOSNHZSA-N 299.330 0.171 0 50 CCAA COC(=O)C(C(=O)OC)C(=O)c1ccc(Cl)nc1 98213411 QYOPTGFIERTTST-UHFFFAOYSA-N 271.656 0.880 0 50 CCAA Cn1c(CN2CCn3cccc3C2)nnc1[C@H]1C[C@@H](N)C1 244811628 SICDICPSLKBIER-TXEJJXNPSA-N 286.383 0.837 0 50 CCAA Cc1nc(CN(C)[C@H]2CCN([C@H]3CCOC3=O)C2)no1 299754306 RHYAIMOYUQYIFK-QWRGUYRKSA-N 280.328 0.200 0 50 CCAA O=C(O)[C@H]1CCN(Cc2cnc(N3CCOCC3)s2)C1 252485183 GOTXGZABADZGEC-JTQLQIEISA-N 297.380 0.886 0 50 CCAA CSCc1noc(CNC(=O)[C@@H](N)C(C)(C)C)n1 252483273 DYGFPCAAYAKLBA-SECBINFHSA-N 272.374 0.922 0 50 CCAA CN(C)[C@H](CNC(=O)CN1CC[C@@H](O)C1)c1ccccc1 184580992 MWODVOUYTJBMGJ-HUUCEWRRSA-N 291.395 0.472 0 50 CCAA CCn1ncnc1[C@H](C)NC(=O)CN(C)C1CCNCC1 534672331 PFEVYIFJZHZUQH-NSHDSACASA-N 294.403 0.159 0 50 CCAA Cc1csc(CCNS(=O)(=O)c2cn(C)cn2)n1 534577151 VKDAQRVJIFWJEF-UHFFFAOYSA-N 286.382 0.706 0 50 CCAA CCN1CCCC[C@@H]1CNC(=O)CCCS(N)(=O)=O 823113172 DRAJHYXYOCRKBM-LLVKDONJSA-N 291.417 0.046 0 50 CCAA CN1CCC(CNC(=O)Cn2cccc2)(N(C)C)CC1 584894626 DPBRHBPZAPOUBJ-UHFFFAOYSA-N 278.400 0.630 0 50 CCAA O=C(CCN1CCCCC1=O)N[C@H]1CCc2c[nH]nc2C1 670458842 MSNDFGFTTRBCSK-LBPRGKRZSA-N 290.367 0.786 0 50 CCAA Cc1nc(N)sc1CC(=O)N[C@@H]1CC(=O)N(C(C)C)C1 670444311 ZONZADPEXAXVOI-SECBINFHSA-N 296.396 0.702 0 50 CCAA O=S(=O)(NCC(F)F)c1n[nH]c2ncccc12 952848078 BIVBQQFMSKOMBC-UHFFFAOYSA-N 262.241 0.501 0 50 CCAA CCc1nsc(N2CC(N3CCN(CC)CC3)C2)n1 952994185 WKLJCSJWZKVUOZ-UHFFFAOYSA-N 281.429 0.927 0 50 CCAA Cn1cc(C(F)(F)F)c(=O)n(Cc2nncs2)c1=O 1875281201 VENWAVRAMIVKJQ-UHFFFAOYSA-N 292.242 0.466 0 50 CCAA C[C@H]1CN(Cc2cc(C3CCNCC3)no2)CCN1 1875266306 WSYZCXRSFGXPGU-NSHDSACASA-N 264.373 0.935 0 50 CCAA COc1ccnc(NC[C@H](O)c2c(C)nn(C)c2C)n1 1875275878 GIVMMFHUBQADJC-JTQLQIEISA-N 277.328 0.981 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N1CC[C@@]2(O)C[C@H]2C1 1875267664 SPWPYULTBZMJEX-QPUJVOFHSA-N 280.353 0.826 0 50 CCAA C=CC(=O)NC[C@@H]1CN(c2nc3ncccc3o2)CCO1 1775997431 HODWJEHNUOQBOY-SNVBAGLBSA-N 288.307 0.730 0 50 CCAA C=CC(=O)N1CC[C@@](NC(C)=O)(c2noc(C)n2)C1 1776004969 VAZAEKFENPNJJB-LBPRGKRZSA-N 264.285 0.128 0 50 CCAA CCN1CCC[C@H](NS(=O)(=O)c2conc2C)C1 631784372 UQNUPXGOELLPSP-JTQLQIEISA-N 273.358 0.746 0 50 CCAA C[C@@H]1CCN(S(=O)(=O)C[C@@H]2CN(C)CCO2)C[C@@H]1C 632165038 UVZSZLILNLXSEP-AGIUHOORSA-N 290.429 0.625 0 50 CCAA CC(=O)C[C@H](NS(=O)(=O)CCC(C)C)C(=O)O 170616527 UGIWROUORDPKNW-VIFPVBQESA-N 265.331 0.384 0 50 CCAA CNC(=O)NC(=O)COC(=O)[C@H](O)[C@H](C)c1ccccc1 584907045 QLLZTHQFFHQRMB-BXKDBHETSA-N 294.307 0.150 0 50 CCAA C[C@H]1CN(S(=O)(=O)C2(C)CC2)CCN1C[C@@H](C)O 408461118 TYXREEKHHHIFJZ-WDEREUQCSA-N 276.402 0.256 0 50 CCAA Cc1nn(CC(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(=O)o1 640372708 VUPZODRMWIHXCS-JSGCOSHPSA-N 293.323 0.315 0 50 CCAA Cn1nccc1CC(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 640869326 NGXDCQWATLZMGU-MJBXVCDLSA-N 292.383 0.067 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cncc(OC)c1 643821929 HGLCPWSABYQIRW-CQSZACIVSA-N 279.340 0.557 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(CCn2ccnc2)C1 643812650 QDOXSDBGQUJSFN-CQSZACIVSA-N 280.372 0.188 0 50 CCAA CN(C)c1noc(CN[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)n1 643960839 GMQQRSASCBYCOZ-TUAOUCFPSA-N 295.387 0.213 0 50 CCAA Cn1nccc1COCC(=O)N(C1CCNCC1)C1CC1 644095568 UYGXSUGWRXCZFV-UHFFFAOYSA-N 292.383 0.680 0 50 CCAA CCCNC(=O)C1CCN(C(=O)[C@H]2CCOC2)CC1 194403447 JWSUJVFBUSFQJI-LBPRGKRZSA-N 268.357 0.788 0 50 CCAA C[C@H]1OCCN(CC(=O)N(C)C)[C@@H]1c1nc(C2CC2)no1 671544255 OAVRYUPRDNHTOU-SKDRFNHKSA-N 294.355 0.797 0 50 CCAA O=C(O)c1ccc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)nn1 1506398987 JEBOKHDZLFGBQL-RYUDHWBXSA-N 292.339 0.210 0 50 CCAA COc1nc(N2CCN(C)[C@@H](CCO)C2)ncc1F 1704313605 JJPHEGQMDCIUNB-VIFPVBQESA-N 270.308 0.127 0 50 CCAA Cc1ccncc1S(=O)(=O)N1CCO[C@H](C)C1 408282187 ZCZGLTJWFGXAKZ-SNVBAGLBSA-N 256.327 0.799 0 50 CCAA O=C(c1ccc(O)nc1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1704337633 AMRDVPSRNKWMLF-KGLIPLIRSA-N 299.330 0.858 0 50 CCAA CNC(=O)CN1CCC(NC(=O)[C@H]2CC2(C)C)CC1 157263704 KCLPDMFCWANNFP-LLVKDONJSA-N 267.373 0.359 0 50 CCAA CCn1nc(C)c(C(=O)N[C@H]2COCC2(C)C)n1 837003731 YIADJDYHRAMXPE-VIFPVBQESA-N 252.318 0.761 0 50 CCAA O=C(c1ccsc1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772710357 QNZCKWOYVREHPV-AOOOYVTPSA-N 253.323 0.421 0 50 CCAA OCC1(CO)[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 1772804184 IMHVAMNHJISBFJ-BETUJISGSA-N 251.301 0.858 0 50 CCAA Cc1nc(CNC(=O)c2ccn(C)c(=O)c2)n(C)c1C 1857704105 DQNPOFGMEGLFFK-UHFFFAOYSA-N 274.324 0.666 0 50 CCAA CC1=NO[C@H](CNC(=O)c2cc(O)nc(C3CC3)n2)C1 854804070 UKFUGVDRYPXXPA-VIFPVBQESA-N 276.296 0.954 0 50 CCAA CN(CCNC(=O)[C@@H]1C[C@H](O)CN1)Cc1ccc(F)cc1 378213210 YMVRSBYKSBQAMG-KBPBESRZSA-N 295.358 0.097 0 50 CCAA CC[C@H](OC)C(=O)N1CCN(c2cnn(C)c2)CC1 266820242 UQHMGOHSPKTPAV-LBPRGKRZSA-N 266.345 0.494 0 50 CCAA Cc1occc(=O)c1OCC(=O)N[C@H]1CCCOC1 932151119 BVXGSSSPXOCPMC-JTQLQIEISA-N 267.281 0.622 0 50 CCAA CN(C(=O)c1ccncc1)[C@H]1CCS(=O)(=O)C1 4294129 DFMBMIGPFVXMDW-JTQLQIEISA-N 254.311 0.341 0 50 CCAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccncc1 169301736 SADJDRDGZDWLOM-WISYIIOYSA-N 276.292 0.576 0 50 CCAA CC1(C)CCC[C@]1(O)CNS(=O)(=O)C1COC1 328785135 VZCQCTHZHREEAK-NSHDSACASA-N 263.359 0.246 0 50 CCAA CC1(C)CN(CCO[C@@H]2CCOC2)CCS1(=O)=O 929823790 IWTZNCHNZSSXGW-LLVKDONJSA-N 277.386 0.301 0 50 CCAA Cn1[nH]c(COC(=O)[C@@]2(C)C[C@H]3CC[C@@H]2O3)nc1=O 2325781175 TUHSWRAFWSXEEM-LWINAJNOSA-N 267.285 0.109 0 50 CCAA Cc1nn(CC(=O)N2CCC[C@@H]2c2cccn2C)c(=O)o1 878079850 NPGMNGQGCPOKIV-GFCCVEGCSA-N 290.323 0.847 0 50 CCAA Cc1cnc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cn1 131317707 HZWSJYCKXUKMJG-PWSUYJOCSA-N 274.324 0.668 0 50 CCAA CN1CCC(O)(CCC2(O)CCN(C)CC2)CC1 398865 LSXPUOJHVYQPGG-UHFFFAOYSA-N 256.390 0.680 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)[C@@H]1CCC[C@H](N)C1 113214077 NXRFUKQHTPBOJA-ZJUUUORDSA-N 253.346 0.241 0 50 CCAA O=C(CCNC(=O)c1ccccc1F)NCCOCCO 55154396 VZCXDLZELGXVHD-UHFFFAOYSA-N 298.314 0.071 0 50 CCAA COc1ccc(S(N)(=O)=O)cc1-c1noc(C)n1 21792586 PQWFWXDWIHNAPK-UHFFFAOYSA-N 269.282 0.701 0 50 CCAA O=C1O[C@H](CN2CCC3(C2)OCCO3)CC12CC2 252500750 TUYNFOJEHAKTNG-JTQLQIEISA-N 253.298 0.531 0 50 CCAA C[C@@H]1CN(C(=O)CSc2nnc3ccccn23)C[C@H]1O 360627378 SJPGEFVCKMAEHE-NXEZZACHSA-N 292.364 0.661 0 50 CCAA CN(Cc1cccc(Cn2cccn2)c1)C[C@H](O)CO 216336666 SQNMPZGJEZDQRH-HNNXBMFYSA-N 275.352 0.716 0 50 CCAA CC1=C(C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)CCC1 333797641 ZCTFADIVSGYMIY-RYUDHWBXSA-N 264.325 0.603 0 50 CCAA CC[C@]1(O)CCCN(c2ccnc(C(=O)NCCO)c2)C1 72133398 QMKFTVBWKZREMX-HNNXBMFYSA-N 293.367 0.545 0 50 CCAA CN(Cc1ccon1)c1cc(C2CC(N)C2)nc(N)n1 219328213 UFKSIAPDLHZFLS-UHFFFAOYSA-N 274.328 0.888 0 50 CCAA CN(C)C/C=C/C(=O)NCc1cc2n(n1)CCCO2 493088249 HKUHOWLRKWBDOK-HWKANZROSA-N 264.329 0.400 0 50 CCAA CNC(=O)CCN(C)c1nc(C)nc2c1cnn2C 72163835 BHPRUYGYHUTCHG-UHFFFAOYSA-N 262.317 0.244 0 50 CCAA CN1CCO[C@@H]2CCN(C(=O)c3ncc(F)cc3F)C[C@H]21 284353357 DIDNCHYOIKESTJ-VXGBXAGGSA-N 297.305 0.905 0 50 CCAA O=c1c2cc(F)ccc2ncn1C[C@@H]1COCCO1 43016737 SMKSQKAIXDVBCP-SNVBAGLBSA-N 264.256 0.951 0 50 CCAA CN1C[C@H](NC(=O)C2Cc3ccccc3C2)C[C@H]1C(=O)O 426541197 CTNULHDGUKKPJV-KGLIPLIRSA-N 288.347 0.675 0 50 CCAA Cc1c(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cnn1C 426584079 RRIRAYXFLCSVEU-UHFFFAOYSA-N 298.310 0.234 0 50 CCAA CCC(=O)N1CC[C@@H](Nc2ccc3nnc(C)n3n2)C1 268527561 HLNNWXXMFLDCBU-SNVBAGLBSA-N 274.328 0.856 0 50 CCAA OCC(CO)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 222724321 POCGUOIBYSYISP-ZIAGYGMSSA-N 285.315 0.305 0 50 CCAA CCS(=O)(=O)N1CCC(NC(=O)c2ccnnc2)CC1 178954802 DJCAABLGFDZNPE-UHFFFAOYSA-N 298.368 0.021 0 50 CCAA Cn1nnnc1-c1ccc(S(=O)(=O)NC(C)(C)C)cc1 96164323 UTVRJQRRBOCMCD-UHFFFAOYSA-N 295.368 0.954 0 50 CCAA CCCO[C@@H]1CCCN(C(=O)Cc2nc(O)n[nH]2)C1 426613607 JETILMMEDVHQPJ-SECBINFHSA-N 268.317 0.470 0 50 CCAA CCN1C[C@@H](C(=O)N(C)Cc2nnc(C)o2)CC1=O 91713238 GDJBIOULFCHQBA-VIFPVBQESA-N 266.301 0.205 0 50 CCAA CCN1C[C@H](C(=O)NCCc2nnc(C)s2)CCC1=O 91769847 QHNADEYOZYUUNQ-SNVBAGLBSA-N 296.396 0.764 0 50 CCAA C[C@@H]1OCCN(C(=O)Nc2ccc(C(N)=O)nc2)[C@H]1C 180596509 OWOHWAAFZCIXLA-IUCAKERBSA-N 278.312 0.822 0 50 CCAA COCCC[C@]1(CO)CCCN(C(=O)C2(N)CC2)C1 91808353 BSIYHSNXWDWAJL-CYBMUJFWSA-N 270.373 0.505 0 50 CCAA CN(C)C[C@]1(O)CCN(c2nc(N)nc3c2CCCC3)C1 95366974 QSWHUPVZHQCGMS-OAHLLOKOSA-N 291.399 0.440 0 50 CCAA Cn1nccc1CCC(=O)N[C@H]1CC[C@@H](N)CC1 248030838 KYZQOXHJDCRDEU-PHIMTYICSA-N 250.346 0.739 0 50 CCAA Cc1nc(CC(=O)NCCc2nnn[nH]2)c(C)s1 244874157 WVNZTIMWFYGQRS-UHFFFAOYSA-N 266.330 0.174 0 50 CCAA Cc1cnc(CN2CCOC[C@@H]2CO)c(C)c1O 253537403 VNUUWXMSERVIDA-NSHDSACASA-N 252.314 0.597 0 50 CCAA CC(=O)NC[C@@H]1CN(C(=O)C2(N)CCCCC2)CCO1 299753151 XAUFYGROPMGESE-GFCCVEGCSA-N 283.372 0.012 0 50 CCAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1ccc(C(N)=O)nc1 299748652 HUPVYUANLVICGH-BXKDBHETSA-N 276.340 0.522 0 50 CCAA Nc1n[nH]c(CNC2CCN(Cc3ccco3)CC2)n1 534638602 KZXQWAMDSHMQRL-UHFFFAOYSA-N 276.344 0.734 0 50 CCAA CCS(=O)(=O)NC[C@H](C)NCc1cccc(CO)c1 534581108 VZMJJOFCDGQVLQ-NSHDSACASA-N 286.397 0.596 0 50 CCAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1C=CCN1 534584946 UUJYYWRIBQETEN-AWEZNQCLSA-N 285.347 0.958 0 50 CCAA C[C@H](CN1CCN(C)CC1)NCCc1ncc[nH]1 534670155 AZGKQFHHNVFHQI-GFCCVEGCSA-N 251.378 0.178 0 50 CCAA CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CC23CC3)CC1 622339585 ZLOOSGJDQITLJT-LLVKDONJSA-N 286.397 0.574 0 50 CCAA Cc1cccc(CCNC(=O)N2CCNC(=O)C2)n1 281422472 DGNQFFZTHGFFKD-UHFFFAOYSA-N 262.313 0.074 0 50 CCAA O=C(CN1C=NS(=O)(=O)c2ccccc21)NCC1CC1 685944168 VGOBHAKWSRCWRN-UHFFFAOYSA-N 293.348 0.750 0 50 CCAA CC[C@]1(C)CCN(C(=O)C(=O)N2C[C@@H]3CNC[C@]3(C)C2)C1 872190901 FWUSESYQRIMECU-APHBMKBZSA-N 293.411 0.703 0 50 CCAA C=CC(=O)N1CCC(C(=O)Nc2cncnc2)CC1 1875365316 ZUXRQKHJRFKKCJ-UHFFFAOYSA-N 260.297 0.840 0 50 CCAA Cc1cc(NC(=O)NC[C@@H]2C[C@H](O)CCO2)on1 1875282768 RQDBCHINMRPCFW-BDAKNGLRSA-N 255.274 0.644 0 50 CCAA Cn1[nH]c(C2CC2)nc1=NS(=O)(=O)c1ccoc1 1875280111 UXZNUIQOQVMAFN-UHFFFAOYSA-N 268.298 0.508 0 50 CCAA COCCCn1cnnc1CNC(=O)C1=C(C)OCCO1 952989670 SMFANVLYDSPBEQ-UHFFFAOYSA-N 296.327 0.209 0 50 CCAA CC[C@H]1C(=O)O[C@@]23C=C[C@H]4C(C(=O)O)=CO[C@@H](O[C@@H]12)[C@H]43 1077995390 GRJLGDWPUYQSHL-MYHKTPMESA-N 278.260 0.834 0 50 CCAA biogenic NC(=O)[C@H](O)C1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1 1775959060 CGIUCFFPICCOPU-RRFJBIMHSA-N 290.363 0.203 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)c1csc(C)n1 1565514517 RVHSSMQGTQUXFP-WPRPVWTQSA-N 256.327 0.985 0 50 CCAA O=C(NC1CNC1)C(=O)c1ccc(Br)cc1 170676926 NJZSOSCZQDESCY-UHFFFAOYSA-N 283.125 0.720 0 50 CCAA CCCn1cnnc1COC(=O)CC1OCCO1 170619588 DQMOKMFNBCOPGZ-UHFFFAOYSA-N 255.274 0.494 0 50 CCAA O=C([C@H]1C[C@H](F)CN1)N1CCCN(c2cccnn2)CC1 188761338 SNEUXXFWQHGTDW-NWDGAFQWSA-N 293.346 0.215 0 50 CCAA OCC1(CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)COC1 583616813 JHDSNNFTOCGLNC-ZIAGYGMSSA-N 281.327 0.942 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N1CCC(c2cnn(C)c2)CC1 583618460 YVEHPPKIEOWWDZ-RISCZKNCSA-N 292.383 0.503 0 50 CCAA CCO[C@H]1C[C@H](N(C)C(=O)Cn2nc(C)oc2=O)C1(C)C 639924573 JMVDPORRFFJRHF-QWRGUYRKSA-N 297.355 0.807 0 50 CCAA CCCCCOCC(=O)N1CC(N2CC[C@H](O)C2)C1 585089881 XNJVJCPPVJUSIJ-ZDUSSCGKSA-N 270.373 0.471 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(c2ccnc(C3CC3)n2)C1 643720530 HEJPLDKCHZCEDY-OAHLLOKOSA-N 290.367 0.821 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)Cc1ccc2c[nH]nc2c1 653557860 BBIRCOHNXYSMGX-LBPRGKRZSA-N 289.291 0.417 0 50 CCAA O=C1CC[C@@]2(C(=O)N3CC(OC(F)F)C3)SCCN12 577020256 MQQBOZCKFGWEMH-NSHDSACASA-N 292.307 0.502 0 50 CCAA CC[C@@]12COC(=O)N1CCN(C(=O)c1[nH]nnc1C)C2 1857678142 CCUPGMFECWMSOC-GFCCVEGCSA-N 279.300 0.170 0 50 CCAA C[C@@H](C(=O)N(CCO)Cc1ncc[nH]1)N1CCCCCC1 1704326612 JKDGXOCFYPVMRV-ZDUSSCGKSA-N 294.399 0.995 0 50 CCAA OC[C@@H](O)C1CCN(c2nnnn2-c2ccccc2)CC1 1772811197 QZVMTRGARZDIGY-CYBMUJFWSA-N 289.339 0.232 0 50 CCAA OCC1(CO)[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]21 1772812354 GLWSLZFSTYJTAN-OCAPTIKFSA-N 289.257 0.532 0 50 CCAA O=C(c1onc2ncccc12)N1CCC([C@H](O)CO)CC1 1772703032 YVHMCLDINARYJE-LLVKDONJSA-N 291.307 0.428 0 50 CCAA CN(Cc1ccno1)C[C@]1(O)CCCN(CC2CC2)C1=O 12093988 AKLBZDWEPFJKHJ-OAHLLOKOSA-N 293.367 0.870 0 50 CCAA O=C(NC1CCC1)c1cc(CN2CCC[C@@H](O)C2)on1 12430785 PVMDYPAKXZLGKI-LLVKDONJSA-N 279.340 0.914 0 50 CCAA CN1CCN(C(=O)Cn2c(CO)nc3ccccc32)CC1 1857525819 BDYFLGNGOJHDDL-UHFFFAOYSA-N 288.351 0.303 0 50 CCAA CN1CCN(CC2CCN(c3cncc(N)n3)CC2)CC1 1857673683 RGIIJKXIWQWSND-UHFFFAOYSA-N 290.415 0.523 0 50 CCAA CCn1ccnc1CN1C[C@@H]2COC[C@H](C1)N(C)C2 1704333140 WEMHVIQQIVOHIO-OLZOCXBDSA-N 264.373 0.665 0 50 CCAA O=C(Nc1ccc(N2CCOCC2)cc1)c1nc[nH]n1 5687861 OEJRPXASHAMFEK-UHFFFAOYSA-N 273.296 0.894 0 50 CCAA CC[C@@H](C)[C@H](N)C(=O)N1CCOC2(CCOCC2)C1 182590765 HJXIAZWYFGXWTQ-NEPJUHHUSA-N 270.373 0.768 0 50 CCAA CC[C@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]1O 400291181 NYCUKXLXIGBACU-UWVGGRQHSA-N 256.346 0.378 0 50 CCAA O=C1CC[C@@H](C(=O)NCc2cnc3c(c2)CCC3)CN1 426567148 UCYAEILELYPKJX-GFCCVEGCSA-N 273.336 0.713 0 50 CCAA CCOc1ccccc1C(=O)N[C@H]1CCOC[C@@H]1O 629229454 XONFOSUGXGPNHV-RYUDHWBXSA-N 265.309 0.965 0 50 CCAA CC(C)C[C@H](C(=O)O)N1CCC[C@@H](N2CCNC2=O)C1 629483709 KDEVIDAXYORIAX-VXGBXAGGSA-N 283.372 0.975 0 50 CCAA Cc1cccn2c(=O)cc(CN3CCOC3=O)nc12 95518331 MLPLLOFNCYXKNW-UHFFFAOYSA-N 259.265 0.955 0 50 CCAA COc1ccc(F)cc1S(=O)(=O)N1CCOCC1 384599 SUMMGYWOUYPCLG-UHFFFAOYSA-N 275.301 0.855 0 50 CCAA COC[C@@H]1COCCN1C(=O)c1cnc2ccnn2c1C 2325791578 RGZYTARZBXHBCS-LLVKDONJSA-N 290.323 0.525 0 50 CCAA CC(C)(O)C(=O)N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21 2325869955 DAXYIQWURKKTHW-LLVKDONJSA-N 287.323 0.741 0 50 CCAA O=Cc1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325903728 ILKPUQNPUXVWLU-LLVKDONJSA-N 272.260 0.260 0 50 CCAA COc1cccc(NC(=O)C(=O)NCCCO)c1 2897862 IBHVPRPOKXRCRV-UHFFFAOYSA-N 252.270 0.132 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)Cc1[nH]cnc1C)C2 2356158055 WNCKPONFBRWCPM-FZMZJTMJSA-N 279.340 0.382 0 50 CCAA O=P(O)(O)CN(CP(=O)(O)O)C1CCCCC1 3173047 IVMJBMLFSROLHY-UHFFFAOYSA-N 287.189 0.892 0 50 CCAA Cc1nc(S)sc1CC(=O)N1CCC[C@H]1C(N)=O 112897798 BFMZYMLKOWYOQQ-ZETCQYMHSA-N 285.394 0.759 0 50 CCAA CC[C@H](NC(=O)CCNS(C)(=O)=O)c1nccs1 172409757 ICQCUBNLGMLORG-QMMMGPOBSA-N 291.398 0.650 0 50 CCAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@H](O)C1CCC1 332482392 VKBHJNNGAOHIOT-VXGBXAGGSA-N 289.397 0.573 0 50 CCAA Cc1cc(-n2cccn2)ccc1NC(=O)CNC(N)=O 252490899 LEKNWGNRTFKJMG-UHFFFAOYSA-N 273.296 0.788 0 50 CCAA COc1cc2c(cc1CN1CCC(O)(CO)CC1)OCO2 67822049 IGKBCJVRTCMRHJ-UHFFFAOYSA-N 295.335 0.743 0 50 CCAA CN1CCO[C@H]2CN(c3ncnc4[nH]ccc34)C[C@H]21 329926706 WKBDMFLPSBEZIG-MNOVXSKESA-N 259.313 0.477 0 50 CCAA CN1CC[C@@H](C(=O)NCC(C)(C)C(=O)O)CC1=O 124770700 USZLDDWOKCMQJK-MRVPVSSYSA-N 256.302 0.082 0 50 CCAA CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCN 236743445 AYFCMFOLMPTTOB-LBPRGKRZSA-N 281.331 0.655 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)C(=O)c1ccccc1 219508669 RXCKEKFPWGHUEI-RYUDHWBXSA-N 262.309 0.315 0 50 CCAA CSc1cccc(CC(=O)N[C@@H]2CCNC[C@H]2O)c1 77470568 JJEMEXAXYAPBRG-CHWSQXEVSA-N 280.393 0.790 0 50 CCAA C[C@H]1[C@H](N2CCCC2)CCN1C(=O)N1CCOCC1 334925666 BIVMMAXJGMBHRP-QWHCGFSZSA-N 267.373 0.997 0 50 CCAA COC[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)CCO1 369618859 NFHSMVURCNRSJB-NSHDSACASA-N 299.371 0.054 0 50 CCAA O=C(Cn1nnc(C2CC2)n1)N1CCOC[C@@H]1C1CC1 371375262 NBUJJATXNIGBFD-LLVKDONJSA-N 277.328 0.188 0 50 CCAA C[C@H]1CCC[C@H](NC(=O)C(=O)N2CCNC(=O)C2)CC1 336443109 JAJFAUIKRQFJAM-QWRGUYRKSA-N 281.356 0.030 0 50 CCAA O=C(NC[C@@H]1CCNC[C@H]1O)c1ccc2c(c1)OCO2 72150898 WNLAPABWFZWEOM-WDEREUQCSA-N 278.308 0.116 0 50 CCAA CC(C)(C)c1cc(C(=O)N2CCOC[C@H]2C(=O)O)no1 262444194 GMQUJVDERLTXMJ-VIFPVBQESA-N 282.296 0.898 0 50 CCAA CC(C)Oc1nc(Br)nn1CC(=O)O 217043145 RBHVNAXMHHACTB-UHFFFAOYSA-N 264.079 0.912 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCCCc1cnn(C)c1 220082021 UAEOJVQRLPXFIW-VIFPVBQESA-N 268.317 0.213 0 50 CCAA CN1CCC[C@@H](C(=O)NCCCn2ccnn2)C1 223841096 CEJVJWQQQASJPO-LLVKDONJSA-N 251.334 0.126 0 50 CCAA Cc1cccnc1OC1CCN(Cc2nc(=O)[nH][nH]2)CC1 289319614 CDPFRDDFARGMIZ-UHFFFAOYSA-N 289.339 0.845 0 50 CCAA CN(Cc1ccc2nsnc2c1)C(=O)[C@@H]1COC(=O)N1 426652805 DITGCBPJPZRKTM-JTQLQIEISA-N 292.320 0.758 0 50 CCAA COCc1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 178819106 YXAFNLSNRZKEMY-NSHDSACASA-N 271.338 0.900 0 50 CCAA Cc1nc(C)c(CC(=O)N[C@@H]2COCC[C@H]2O)s1 223297175 MFBCCCRURDREPI-NXEZZACHSA-N 270.354 0.568 0 50 CCAA COCn1nc(Br)nc1N1CCOCC1 98213440 LDKMZFDSQVNKJO-UHFFFAOYSA-N 277.122 0.481 0 50 CCAA C[C@@H]1CN(c2cc(N3CCOCC3)ncn2)CC[C@]1(C)O 91872483 AALVMEVWDYUGJQ-DOMZBBRYSA-N 292.383 0.910 0 50 CCAA COc1cc(OC)c(CN2CCNC(=O)C2)c(C(=O)O)c1 97743520 KEVXRCOMLGBDHL-UHFFFAOYSA-N 294.307 0.334 0 50 CCAA Cc1cc(=O)n(Cc2nc([C@@H]3CCOC3)no2)nc1C 96133136 IQPRLLMWLPLCDV-SNVBAGLBSA-N 276.296 0.795 0 50 CCAA Cn1nccc1CNC(=O)[C@@H]1CNC[C@H]1C(F)(F)F 299743878 PTEQGAPKBVUEIG-RKDXNWHRSA-N 276.262 0.434 0 50 CCAA COCc1noc(-c2cncnc2N2CC[C@H](N)C2)n1 263618530 UFKJMORSLUFIIS-QMMMGPOBSA-N 276.300 0.210 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1cncc(F)c1 534582550 WGEAOIBGRZFBET-STQMWFEESA-N 279.315 0.814 0 50 CCAA Cc1csc(CNC(=O)c2cn(C)c(O)nc2=O)n1 298720773 KYTJBNYWFKLOBI-UHFFFAOYSA-N 280.309 0.181 0 50 CCAA Cc1nn(C)c(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1Cl 299763979 ZVOQUYZWCKSYQA-MRVPVSSYSA-N 298.730 0.659 0 50 CCAA CC(C)NC(=O)CN1CCN(C(=O)c2ccn(C)c2)CC1 268591479 MYSKZGXUAGEKJV-UHFFFAOYSA-N 292.383 0.308 0 50 CCAA COc1cc(C(=O)NCCc2nnc(O)n2C)ccc1F 584891869 XCVXGXCOESSCOG-UHFFFAOYSA-N 294.286 0.641 0 50 CCAA COc1cc(C(=O)NCCN2CCCC[C@H]2CO)ccn1 670470428 OQBOODSIMTXXHE-ZDUSSCGKSA-N 293.367 0.667 0 50 CCAA O=C([C@@H]1CSCCS1)N1CCCc2nn[nH]c21 1875263901 YOUOPJDQLRPWFY-QMMMGPOBSA-N 270.383 0.933 0 50 CCAA CC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCS2(=O)=O)C1 1875274642 PEMKLDRMYRCLHZ-HTQZYQBOSA-N 271.260 0.584 0 50 CCAA Cc1nc(C(=O)NCCc2nc3c(s2)COCC3)no1 1875282978 ZZUCOGPDSUINSW-UHFFFAOYSA-N 294.336 0.880 0 50 CCAA CS(=O)(=O)NC(=O)[C@@H]1C[C@@H]1Cc1ccccc1 1875391079 HXXJTMALMKOQPD-WDEREUQCSA-N 253.323 0.941 0 50 CCAA CC[C@H](NC(=O)c1c[nH]nc1-c1ccn(C)n1)[C@@H](C)O 1875301311 KALHJSFBGGQNKM-SCZZXKLOSA-N 277.328 0.699 0 50 CCAA COCC1=NN(c2ccc(NC(C)=O)cn2)C(=O)C1 1875321650 PXBRRSUEUUYVES-UHFFFAOYSA-N 262.269 0.779 0 50 CCAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1)C1C[C@@H]2COC[C@H]2C1 1875304529 MVCOFDRXKCNAFU-ZNSHCXBVSA-N 285.365 0.734 0 50 CCAA Oc1cc(N2CC[C@H](N=c3cc[nH]cc3F)C2)nc(O)n1 1875399513 YQPWUPBMFXXXNO-QMMMGPOBSA-N 291.286 0.535 0 50 CCAA COC(=O)c1cc(C2CCN(CC3OCCO3)CC2)[nH]n1 1875300620 KNVFJCJGPIEAAZ-UHFFFAOYSA-N 295.339 0.749 0 50 CCAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccncc1 1875402524 INEOFONSMUWRKW-MRVWCRGKSA-N 286.335 0.848 0 50 CCAA CO[C@@H]1CCNC[C@@H]1NC(=O)CC1CCN(C(C)C)CC1 952965892 CKOQUSQMDBCCOW-LSDHHAIUSA-N 297.443 0.990 0 50 CCAA Cc1nnc(CCNC(=O)[C@@H](N)C(C)(C)C)s1 244659633 HGFJSPAECOPFBD-SECBINFHSA-N 256.375 0.879 0 50 CCAA CCc1ncnc(N2CC[C@@H](Cc3nn[nH]n3)C2)c1F 1775987814 PHQNCBAAWZDHKQ-QMMMGPOBSA-N 277.307 0.760 0 50 CCAA CNC(=O)NCc1cn(CCn2cnc3ccccc32)nn1 899705582 IZPUHFXRGRZEQI-UHFFFAOYSA-N 299.338 0.757 0 50 CCAA Cc1nc(C)c(C(=O)N[C@@H]2CCNC[C@H]2O)s1 77378108 DVTJRCMAVBADCC-RKDXNWHRSA-N 255.343 0.213 0 50 CCAA C[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1CO 189176903 LDWDOIBHVBCMME-WOPDTQHZSA-N 277.386 0.446 0 50 CCAA CC1=C(C(=O)NCCn2cnc(C)c2C)OCCO1 1506406672 FHZDTMJIINDFIR-UHFFFAOYSA-N 265.313 0.894 0 50 CCAA CC(C)Oc1cc(NCc2nc(O)n[nH]2)nc(N)n1 1529195916 QMHAXTONHMGJIS-UHFFFAOYSA-N 265.277 0.282 0 50 CCAA Cc1nn(C)cc1CN1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704309316 NKCOPQAFSLZSDM-BETUJISGSA-N 279.296 0.090 0 50 CCAA CCc1cnc(N)nc1NCCSc1nnnn1C 1704315479 GNCHGDNQAQTPJB-UHFFFAOYSA-N 280.361 0.349 0 50 CCAA CCC(=O)NCc1c(C)nc2c(c1C)c(=O)[nH]n2C 265136374 HEYQNNNJQQIBFJ-UHFFFAOYSA-N 262.313 0.905 0 50 CCAA CCCc1nnc(SCC(=O)NCc2ccco2)n1N 5581335 PIIHQILKVSIODN-UHFFFAOYSA-N 295.368 0.946 0 50 CCAA CCc1nc(NC(=O)N[C@H](C)Cc2cnccn2)nn1C 19791063 BHVCBTXITAYVQT-SECBINFHSA-N 289.343 0.920 0 50 CCAA O=C(Cn1ncc2ccccc21)N[C@H]1CCOC[C@@H]1O 629232194 HCQDBBRHEKNUBL-AAEUAGOBSA-N 275.308 0.302 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2ncc3n2CCCC3)CCO1 633137134 NPRVPCLAUXORLR-JTQLQIEISA-N 279.296 0.145 0 50 CCAA NC1(C(=O)N2CCC[C@@H](Cn3cncn3)C2)CCCC1 237885765 SZHPXEPMTNRTII-GFCCVEGCSA-N 277.372 0.788 0 50 CCAA Nc1nccnc1C(=O)NC[C@H](C(=O)O)c1ccccc1 345982873 DOSOLXVCUKKGRT-JTQLQIEISA-N 286.291 0.657 0 50 CCAA COc1ccccc1N1CCN(C[C@](C)(O)CO)CC1 1875302515 UEBSFOCUUCMVDT-HNNXBMFYSA-N 280.368 0.561 0 50 CCAA CN1CCN(C(=O)[C@]2(O)CCc3ccccc3C2)CC1=O 367363601 QNSAJNJNZBDCFE-INIZCTEOSA-N 288.347 0.207 0 50 CCAA CCn1cc(CN2C[C@@H]3COC[C@H](C2)N(C)C3)cn1 1704336313 LKOIGBKTEKVZEP-KGLIPLIRSA-N 264.373 0.665 0 50 CCAA COC1CC(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)C1 910610569 JYZQLJOQUDEUSN-MNGZKHATSA-N 297.351 0.940 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)O[C@H]2COC[C@H]21 1857779225 IUZQDJIWGFRUJE-HLTSFMKQSA-N 273.285 0.474 0 50 CCAA CCOc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 6703182 KFZAWLWNRDNPSV-QMMMGPOBSA-N 272.326 0.237 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C(F)(F)F 262326301 RULCZDACGKJOPX-HTQZYQBOSA-N 291.229 0.605 0 50 CCAA COCc1noc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n1 426698460 QDQALHJKWAKQNF-JGVFFNPUSA-N 283.284 0.333 0 50 CCAA O=C1OCC[C@]1(O)CN1CC[C@@H](Cc2ccc(O)cc2)C1 2325807667 KZWHIRKLLHCMAX-BBRMVZONSA-N 291.347 0.935 0 50 CCAA C=CC(=O)N(C)CC(=O)Nc1[nH]nc2nnc(C)c(C)c12 861656693 VVRZMLDPMVMEJY-UHFFFAOYSA-N 288.311 0.553 0 50 CCAA COc1cc(Cl)cc(C(=O)N2CC(O)(C(N)=O)C2)c1 913072266 DUGDGBQWXRUOSE-UHFFFAOYSA-N 284.699 0.021 0 50 CCAA CCCS(=O)(=O)N1CCC[C@]12CCCNC2=O 2356156544 GXGXYYBRNLMBOB-NSHDSACASA-N 260.359 0.471 0 50 CCAA CCn1nnnc1SCCSc1nnnn1CC 2864368 UFNXCYGPXVIYCB-UHFFFAOYSA-N 286.390 0.584 0 50 CCAA CCOC(=O)[C@H]1CN(Cc2ccccc2)C(=O)C1=O 4352991 FQMSSTZJKSWSMP-NSHDSACASA-N 261.277 0.777 0 50 CCAA CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6314756 UTBOIBQFPJVPJN-UHFFFAOYSA-N 286.328 0.679 0 50 CCAA O[C@@]1(CNCCC2=CSC3=NCCCN23)CCNC1 101964320 UPXVURUMLMPJQZ-CYBMUJFWSA-N 282.413 0.340 0 50 CCAA COCc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)o1 112647570 CRNCCFLHIUIGGL-VIFPVBQESA-N 276.296 0.762 0 50 CCAA O=C1C2CN3CCN(C2)CC1(Cc1ccc(O)cc1)C3 22342554 WOAGOHDOFMXTJL-UHFFFAOYSA-N 272.348 0.751 0 50 CCAA Cc1nc2ccc(=N[C@H]3CCO[C@@H]3c3ccnn3C)[nH]n2n1 424097089 QJTGUHGIUZMGJN-HZMBPMFUSA-N 299.338 0.530 0 50 CCAA CC(=O)N[C@@H](COC(C)=O)[C@H](O)c1ccccc1 71771048 DPVWBNJZHVDKKE-QWHCGFSZSA-N 251.282 0.788 0 50 CCAA Cn1cc(CCc2nc3c([nH]2)CCCNC3=O)cn1 215040550 GHPXJTUUAUQNDR-UHFFFAOYSA-N 259.313 0.604 0 50 CCAA CS(=O)(=O)CC1(CC(=O)N2CCOCC23CC3)CC1 328742826 NARUPBLEASUCBK-UHFFFAOYSA-N 287.381 0.593 0 50 CCAA O[C@@]1(CN2CCCC2)CCCN(Cc2ncc[nH]2)C1 77485444 HZXUXGUOWYPMBZ-CQSZACIVSA-N 264.373 0.832 0 50 CCAA Cc1cc2c(N(C)C[C@@H]3CCS(=O)(=O)C3)nccn2n1 330115150 TYLNJDOOXVZOPK-NSHDSACASA-N 294.380 0.909 0 50 CCAA CCc1cc(NCCN2CCNC2=O)n2nccc2n1 72151388 DMWGAPWKLFEBOQ-UHFFFAOYSA-N 274.328 0.729 0 50 CCAA CC(C)N1C[C@H](C(=O)N(C[C@H](C)C(=O)O)C2CC2)CC1=O 236594092 ZRYFIFXDARKCOY-WDEREUQCSA-N 296.367 0.955 0 50 CCAA CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCN 236672889 AYFCMFOLMPTTOB-GFCCVEGCSA-N 281.331 0.655 0 50 CCAA CCCN(CCO[C@@H]1CCCCO1)[C@@H]1CC(=O)N(C)C1=O 338333672 WGGTTWAUASKWGR-TZMCWYRMSA-N 298.383 0.999 0 50 CCAA C[C@@H](N)C(=O)N1CCC[C@H](Cc2nccn2C)C1 157534594 DWEJJUOJGUACOD-GHMZBOCLSA-N 250.346 0.548 0 50 CCAA COCc1ccccc1S(=O)(=O)NCCC(=O)O 262384306 HKBFGGNVDUZBCJ-UHFFFAOYSA-N 273.310 0.586 0 50 CCAA COc1ccsc1C(=O)N1CCO[C@H](C(=O)O)C1 161383397 UBNBEDIPEWGLLN-QMMMGPOBSA-N 271.294 0.682 0 50 CCAA CC(=O)NCc1cc2n(n1)CCN(CCc1ncc[nH]1)C2 426397638 UHCRITVHCBWHIN-UHFFFAOYSA-N 288.355 0.301 0 50 CCAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1cccnn1)CC2 426496748 ALYHSGZJYLLSRA-HZSPNIEDSA-N 263.341 0.981 0 50 CCAA CC(C)(C)[C@@H]1OCCC[C@@H]1CN=c1[nH]c(=N)[nH]c(=N)[nH]1 623981818 WDFJIYHXJCJZBX-RKDXNWHRSA-N 280.376 0.372 0 50 CCAA CCCc1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)[nH]n1 236899006 XTMPCEDZXCYELY-SNVBAGLBSA-N 281.312 0.678 0 50 CCAA Cc1cc(N2C[C@H](CO)[C@H](CN(C)C)C2)ncn1 91636228 KHDOGLBAXUGKKC-VXGBXAGGSA-N 250.346 0.391 0 50 CCAA CNC(=O)c1cccc(OCC(=O)N2CC(C)(O)C2)c1 332457792 IEXRWQCHOVGGNA-UHFFFAOYSA-N 278.308 0.018 0 50 CCAA Cc1cc(N)n(CC(=O)N2C[C@H](c3ccccc3)[C@@H](N)C2)n1 91616499 IYHDQUGXIMFZQQ-KGLIPLIRSA-N 299.378 0.727 0 50 CCAA CO[C@H]1C[C@@H](N(C)c2cc(NC[C@@H](C)O)ncn2)C1 298863436 JRVIHVFCWOWVJT-MXWKQRLJSA-N 266.345 0.883 0 50 CCAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cnccn1 244692023 JNCQKPZTODAMEN-YUTCNCBUSA-N 298.346 0.984 0 50 CCAA CCc1n[nH]c(SCC(=O)N[C@H]2CCC(=O)N(C)C2)n1 244795866 ROTZLOJMVDHAIJ-QMMMGPOBSA-N 297.384 0.196 0 50 CCAA O=S(=O)(NC[C@H]1CCCN1)N1CCc2ccccc2C1 53254844 XDKAIMUPUUTENR-CQSZACIVSA-N 295.408 0.631 0 50 CCAA COC(=O)c1cc(O)cc(C(=O)N2CC[C@@H](N)C2)c1 534576783 FCKHOTPZKXULTL-SNVBAGLBSA-N 264.281 0.352 0 50 CCAA CC(C)CN1C[C@@H](C(=O)NCCn2ccnn2)CCC1=O 299794590 KEFCAHWIUJRNLS-LBPRGKRZSA-N 293.371 0.289 0 50 CCAA O=C([C@H]1CCCN(CCc2ncc[nH]2)C1)N1CCOCC1 827968221 AQOVMOJWSZXJJO-ZDUSSCGKSA-N 292.383 0.523 0 50 CCAA Cc1nccn1CCN(C)C(=O)NCCc1ncnn1C 827883319 LEBSTMYGVYUMJV-UHFFFAOYSA-N 291.359 0.204 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)Cc1sc(N)nc1C 584892324 PZVGRLQXJAINHN-UWVGGRQHSA-N 298.412 0.412 0 50 CCAA CN(CCc1nc2ccccc2[nH]1)S(C)(=O)=O 670447988 WMEJMMINRFOBBU-UHFFFAOYSA-N 253.327 0.997 0 50 CCAA CCCc1nnc(N2C[C@H](O)[C@@H](N3CCOCC3)C2)s1 670451401 ANULEISQDOXTLG-QWRGUYRKSA-N 298.412 0.372 0 50 CCAA CCN(C)c1cc(NC[C@]2(O)CCNC2)ncn1 1704305584 LSCZYBURCBLZKR-LBPRGKRZSA-N 251.334 0.069 0 50 CCAA CC[C@@H]1CN(C(=O)[C@@H](O)c2cnc[nH]2)C[C@@]2(CCOC2)O1 867950626 XLONRFLNZBDCBP-SCDSUCTJSA-N 295.339 0.240 0 50 CCAA COC[C@]1(CNC(=O)/C=C/CN(C)C)CCCO1 1875376956 NZIKRJYOQNZUFV-DIECRNLCSA-N 256.346 0.416 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCC2(C)OCCO2)CC1 1875363774 SPXINOHFGFWMQQ-UHFFFAOYSA-N 282.340 0.290 0 50 CCAA CCN(CC(=O)NC)S(=O)(=O)c1ccccc1 2881384 PBNQFTHFWMSWBN-UHFFFAOYSA-N 256.327 0.443 0 50 CCAA CCN1CC[C@@H](Nc2ccc3nc(C)nn3n2)C1=O 952961994 VLCPZIWKBPHBHZ-SECBINFHSA-N 260.301 0.465 0 50 CCAA CCc1ncnc(N(C)C[C@H](C)C(=O)NC)c1F 271226356 XFHWJHDAKNGQHD-QMMMGPOBSA-N 254.309 0.996 0 50 CCAA COCCn1ccnc1CN1CC[C@H](C(=O)O)C1 244873327 WOFMKNNGZWUMPN-JTQLQIEISA-N 253.302 0.436 0 50 CCAA CC1=CCN(CCNC(=O)N2C[C@@H]3CC[C@]3(N)C2)CC1 1775961987 MGWPIHUYQPHPFO-ZFWWWQNUSA-N 278.400 0.771 0 50 CCAA C=CC(=O)NCCC(=O)N[C@@H]1CCN(C(=O)OCC)C1 274525789 AEJYCVIFOOYTQU-SNVBAGLBSA-N 283.328 0.026 0 50 CCAA CCC(CC)N1C[C@H](C(=O)N2CC(CO)C2)CC1=O 187003837 BFSQYKRCHPWZID-LLVKDONJSA-N 268.357 0.474 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC[C@@H](N)C1 216432908 FBJCMJYRLBRDKD-HBNTYKKESA-N 253.346 0.241 0 50 CCAA C[C@@H]1C[C@H](C(=O)NC[C@H](n2cncn2)C(F)(F)F)CO1 633985328 VOSGJFXHSXXULT-VGMNWLOBSA-N 292.261 0.923 0 50 CCAA COC[C@]1(C(=O)NCc2c(C)nn(C)c2C)CCCN1 643639566 UWBCRSKDRZASNG-AWEZNQCLSA-N 280.372 0.422 0 50 CCAA Cc1noc(C)c1NC(=O)CN1CCCC[C@@H](O)C1=O 644330919 PZKAMHPMBFCTHZ-SNVBAGLBSA-N 281.312 0.603 0 50 CCAA COCC1(S(=O)(=O)N2CCC[C@@]2(C)C(=O)O)CC1 646043145 LGHIZFGRWOSHRT-JTQLQIEISA-N 277.342 0.434 0 50 CCAA O=C(CN[C@H]1CCC(=O)N(CC2CC2)CC1)N1CCCC1 1506406858 GUWBIVLKCPSOCD-AWEZNQCLSA-N 293.411 0.990 0 50 CCAA O=S(=O)(N1CCCCCC1)N1CCC[C@@H]1CCO 305724536 GDDOCRFYEDQNNQ-GFCCVEGCSA-N 276.402 0.954 0 50 CCAA COc1cc(NC(=O)NC[C@@H]2CCCO2)ncn1 161823980 SGHIJHMJKVXAOQ-QMMMGPOBSA-N 252.274 0.786 0 50 CCAA N[C@H](Cc1ccncc1)C(=O)NCc1cccn2nccc12 1772811639 WHISEVKDZFWEKT-CQSZACIVSA-N 295.346 0.916 0 50 CCAA CC(C)N1C[C@@H](CN2CCO[C@@]3(CCNC3)C2)CCC1=O 1775982048 PMSCFQJHXTUPKV-GDBMZVCRSA-N 295.427 0.698 0 50 CCAA NC(=O)CCC(=O)N1CCO[C@@H](Cc2cccc(F)c2)C1 12075294 OKRMTQSWFSGNBB-ZDUSSCGKSA-N 294.326 0.861 0 50 CCAA O=C1N2CN(C3CCCCC3)CN=C2SC1(CO)CO 19706422 YTMUFICDHATYBL-UHFFFAOYSA-N 299.396 0.205 0 50 CCAA COCCC[C@@]1(CO)CN(C(=O)c2ncc[nH]2)CC[C@H]1O 1857718502 XECPBPTYFVUZOU-RISCZKNCSA-N 297.355 0.022 0 50 CCAA NCCOc1ccc(F)cc1C(=O)N[C@H]1CCCNC1=O 426497268 OFXZXPLJTOJHMT-NSHDSACASA-N 295.314 0.172 0 50 CCAA CCCc1nc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cs1 1875247334 SNFOPTHVVSBNPD-COYOAVQYSA-N 298.364 0.353 0 50 CCAA Cc1ccc(C(N)=O)c(N2C[C@H]3COC[C@@H](C2)CN3C)n1 1875249513 YEPLMLDMWZBAOI-NEPJUHHUSA-N 290.367 0.256 0 50 CCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cc2n(n1)CCC2 616776932 RBPPVWKXSHLOJH-CYZMBNFOSA-N 287.323 0.130 0 50 CCAA COc1cnc(C(=O)N2CCC[C@](O)(C3CC3)C2)nc1 618299057 QTVLYOZYFJSOQN-CQSZACIVSA-N 277.324 0.862 0 50 CCAA CCOC[C@H](C)N[C@H]1CCCN(c2nccn(C)c2=O)C1 328646482 SOLIDXNQNWBGCK-STQMWFEESA-N 294.399 0.764 0 50 CCAA CCNC(=O)CN1CCCN(C(=O)c2cc[nH]c2)CC1 331557399 CCFXSVZZSOKBHG-UHFFFAOYSA-N 278.356 0.299 0 50 CCAA CCOCC(=O)N1CC[C@H](N=c2ccc3nccn3[nH]2)C1 354694379 KCHHNFCJPJWOCB-NSHDSACASA-N 289.339 0.201 0 50 CCAA CN(C)C[C@]1(O)CCN(C(=O)c2cc(C3CC3)on2)C1 257301792 RZXRHXYWLYHABT-CQSZACIVSA-N 279.340 0.691 0 50 CCAA CSCC[C@@H](NC(=O)CCc1cn[nH]c1)C(=O)O 426538462 UEJDUFIOCLTGII-SECBINFHSA-N 271.342 0.665 0 50 CCAA COC[C@]1(C(=O)Nc2cnn(C)c2C)CCCN1 643710163 WDWOSRNLDQUGJL-LBPRGKRZSA-N 252.318 0.436 0 50 CCAA COC(=O)[C@H]1C(=O)c2ccccc2S(=O)(=O)N1C 58263 GIQCXAYKJYPPFK-SECBINFHSA-N 269.278 0.045 0 50 CCAA O=C(Oc1ccc(-n2cnnn2)cc1)N1CCOCC1 177564 BBVUFHOUSDVJOV-UHFFFAOYSA-N 275.268 0.493 0 50 CCAA O=C1c2ccccc2C(=O)N1CCS(=O)(=O)O 1732319 GSLVEXPADWBUAC-UHFFFAOYSA-N 255.251 0.170 0 50 CCAA in-vitro O=S(=O)(O)CCC[n+]1cn(-c2ccccc2)cn1 3137070 MEEZIMHSGUUOKW-UHFFFAOYSA-O 268.318 0.438 0 50 CCAA O=C(CSc1cn[nH]n1)NCc1ccc2c(c1)OCO2 4386609 MZZLJHDKVVBIFE-UHFFFAOYSA-N 292.320 0.942 0 50 CCAA Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1F)CC(=O)N2 9358395 QAMXVEWKCSAABG-SSDOTTSWSA-N 274.255 0.965 0 50 CCAA CN(Cc1cnn(CCC(=O)O)c1)C[C@@H]1CCCN1C 102543326 PDEURKIFKZGSJZ-ZDUSSCGKSA-N 280.372 0.884 0 50 CCAA COC(=O)c1cc2n(n1)CCCN(C1CCNCC1)C2 67694628 PXDYKAPVXFXOIY-UHFFFAOYSA-N 278.356 0.627 0 50 CCAA CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20460636 QBXDATZYOPTKLL-MNOVXSKESA-N 291.417 0.420 0 50 CCAA COCc1noc(-c2nc3c([nH]2)CC(C)(C)CNC3=O)n1 65505769 XPKLCCQKOIEXKG-UHFFFAOYSA-N 291.311 0.918 0 50 CCAA CCn1c(CC2CCN(C[C@H]3CCOC3)CC2)n[nH]c1=O 65526654 GEGPTLRHFDVJJB-CYBMUJFWSA-N 294.399 0.882 0 50 CCAA CCCOCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 330556932 FYXQJKQXMRRVQK-YNEHKIRRSA-N 271.357 0.801 0 50 CCAA O=C(NC(=S)NN1CCOCC1)c1ccco1 23634116 FKAUJFKUIVFUED-UHFFFAOYSA-N 255.299 0.131 0 50 CCAA CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C)o1 330613839 RPTXHOTZWSTWRH-SNVBAGLBSA-N 293.323 0.055 0 50 CCAA CCN(C)[C@@H](C)CCNc1nc(N)nc2c1CCNCC2 72418365 FEGCVDBJCZCMSV-NSHDSACASA-N 292.431 0.889 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C[C@@H]2CCOC2)CC1=O 229834044 NBJRRORSGUUIDF-RHYQMDGZSA-N 266.341 0.539 0 50 CCAA Nc1nc(C2CC(N)C2)cc(N2CCC(O)CC2)n1 218798486 PKIUWQFRVVTQEA-UHFFFAOYSA-N 263.345 0.225 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@@](C)(C(=O)OC)C1 862001735 BVXPAZOMPNUANN-CQSZACIVSA-N 282.340 0.433 0 50 CCAA CO[C@H](C)c1noc(CCC(=O)N2C[C@H](C)N[C@@H](C)C2)n1 154131432 YZWGAJOJWVYIGA-GARJFASQSA-N 296.371 0.918 0 50 CCAA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ncn[nH]1 218999555 JMRZMWZJZHNWDE-ZJUUUORDSA-N 266.301 0.119 0 50 CCAA COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)O)C2 363789698 OVKZPIXSNKOJER-QMMMGPOBSA-N 251.238 0.200 0 50 CCAA Oc1n[nH]c(CN2CCC(O[C@@H]3CCOC3)CC2)n1 329329104 VDYPARHFHHLGDZ-SNVBAGLBSA-N 268.317 0.280 0 50 CCAA CCn1c(C)nnc1CN1CCC(c2nc(O)n[nH]2)CC1 329667907 RTQWRBJYPDNGGT-UHFFFAOYSA-N 291.359 0.810 0 50 CCAA CC[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CCN1C(C)C 216254118 BRSMVTUDFXFEDB-SNVBAGLBSA-N 294.355 0.008 0 50 CCAA C[C@H](CNC(=O)Cc1ccc2c(c1)OCCO2)C(=O)O 262407058 BPSKLTFPYWUXJA-SECBINFHSA-N 279.292 0.837 0 50 CCAA O=C(N[C@@H](C1CCC1)C1CC1)N1C[C@@H](O)C[C@H]1CO 333555012 GEWLBUMRWKKKNB-AVGNSLFASA-N 268.357 0.702 0 50 CCAA CCN1CC2(CCN(CCC(=O)O)CC2)OC1=O 77407920 AKHAIFAUOQDXEU-UHFFFAOYSA-N 256.302 0.768 0 50 CCAA C/C=C/Cc1nnc(C(=O)N(C)CC(=O)NC)o1 71753286 HZIKJOOVGJTNEB-SNAWJCMRSA-N 252.274 0.006 0 50 CCAA CC(C)[C@H](CNC(=O)c1ccc2nnnn2c1)N(C)C 71764197 VDYQWISRGSMKNH-NSHDSACASA-N 276.344 0.440 0 50 CCAA COc1ncnc(OC)c1C(=O)N[C@@H]1CCC[C@H]1CN 178148781 ITEJOTWYUSDJRH-DTWKUNHWSA-N 280.328 0.351 0 50 CCAA O=C(NCCn1cccn1)[C@@H]1CCCCN1C(=O)C1CC1 221346616 IBKIVMWDUKCCRL-ZDUSSCGKSA-N 290.367 0.790 0 50 CCAA CCc1nc(CNC(=O)N2CC[C@H](N(C)C)C2)no1 426361221 QJUAKMLFRUMQDD-VIFPVBQESA-N 267.333 0.478 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@@H](c2ncnn2C)C2CC2)n1 223214386 DDRMFQKRWGUVCX-GFCCVEGCSA-N 289.343 0.170 0 50 CCAA CN(C)C(=O)c1nnc(-c2ccc(S(C)(=O)=O)cc2)[nH]1 426360000 UXUVDRVLWKWCBT-UHFFFAOYSA-N 294.336 0.577 0 50 CCAA C[C@H](NC(=O)N(C)CC1(CO)CCC1)c1nncn1C 426393067 RWQBIYCDQXVASK-JTQLQIEISA-N 281.360 0.680 0 50 CCAA O[C@H]1CCCOC12CCN(CCn1cnnc1)CC2 95390044 GOWLASBQDNPQIQ-LBPRGKRZSA-N 266.345 0.284 0 50 CCAA CCCN(Cc1nccn1C)C(=O)[C@H]1CCS(=O)(=O)C1 426722685 SSECVKTVUYCFIZ-NSHDSACASA-N 299.396 0.593 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CCC[C@H](N)C1 426504619 QPTCNUNMDSKBHH-JTQLQIEISA-N 272.374 0.576 0 50 CCAA CN1C(=O)[C@@H](CC(=O)N2Cc3ccccc3C2)N(C)C1=O 91270556 FRDFIHKVHRZTBE-GFCCVEGCSA-N 287.319 0.811 0 50 CCAA O=C1NCCN1CC(=O)N1CCC[C@H]1c1nccs1 95510652 HIABBTGDAYTYKX-VIFPVBQESA-N 280.353 0.832 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@](C)(O)[C@@H](O)C1 96138785 BSWGEMGNRFVFFE-DZGCQCFKSA-N 295.383 0.314 0 50 CCAA Cn1cc(CCC(=O)N[C@@H]2CCC[C@@H]2C(=O)O)cn1 237770149 JBYXWDDOVRWMHG-WDEREUQCSA-N 265.313 0.722 0 50 CCAA Cc1ccnc(NCCNC(=O)Cn2nc(C)cc2N)c1 240662546 PLZJHIIDKOEAGU-UHFFFAOYSA-N 288.355 0.705 0 50 CCAA O=S(=O)(NC[C@@H]1CCCN1)N1CCc2ccccc2C1 53254843 XDKAIMUPUUTENR-AWEZNQCLSA-N 295.408 0.631 0 50 CCAA O=C1OC[C@@H]2CN(c3ncnc4[nH]ccc34)CCN12 374554042 KQEOULDAJRLBKB-QMMMGPOBSA-N 259.269 0.599 0 50 CCAA Cc1cc(F)ccc1CC(=O)N[C@@H]1C[C@@H](C(=O)O)N(C)C1 299760901 PZELMVOBDJVABM-OLZOCXBDSA-N 294.326 0.950 0 50 CCAA O=C(Cc1ccccc1)NCc1nnc2n1CCNCC2 299782583 VFSPOLFABHKDLF-UHFFFAOYSA-N 285.351 0.283 0 50 CCAA C[C@@H](N)C(=O)N=c1cc(CCc2ccccc2)[nH][nH]1 646061633 AYPQWPSHBAYXTC-SNVBAGLBSA-N 258.325 0.903 0 50 CCAA O=C(NCc1csc(-c2cnccn2)n1)[C@@H]1C=CCN1 820385704 NHUBNTIIUICLNX-JTQLQIEISA-N 287.348 0.744 0 50 CCAA CCn1ccc(C(=O)NCCSc2nc[nH]n2)n1 823587874 LBXOCRFIORDIAA-UHFFFAOYSA-N 266.330 0.543 0 50 CCAA CC(C)(CN1CCCCC1)NC(=O)c1n[nH]c(O)n1 584891048 XEPJSKCYBBMJFE-UHFFFAOYSA-N 267.333 0.505 0 50 CCAA CN(CC(=O)NCCCN1CCC[C@H](O)C1)C1CCCC1 670461981 BJCAVJXAIUGWFY-HNNXBMFYSA-N 297.443 0.824 0 50 CCAA COC[C@@H](C)NC(=O)C1CCN(Cc2cc[nH]n2)CC1 670444612 MIQKFHREHRZFCM-LLVKDONJSA-N 280.372 0.773 0 50 CCAA COCC[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CCO1 670459281 YXMNMAVXIOMTQW-LBPRGKRZSA-N 281.356 0.833 0 50 CCAA CN(CC(=O)NCCc1ncnn1C)Cc1ccncc1 670439647 ISEIJTNZQYAVAZ-UHFFFAOYSA-N 288.355 0.001 0 50 CCAA CN1CCn2[nH]c(=NCc3ccc4c(c3)CCO4)cc2C1=O 1875280271 LRASLTFCYJURRY-UHFFFAOYSA-N 298.346 0.938 0 50 CCAA CC(C)C[C@H](C)OC(=O)N1CC2(C[C@H](O)CNC2=O)C1 952884211 WAZIQZCAZBURPU-QWRGUYRKSA-N 284.356 0.740 0 50 CCAA O=c1[nH]cnn2cc(I)cc12 72194221 PZMASEPEWLSQGR-UHFFFAOYSA-N 261.022 0.627 0 50 CCAA in-vitro C[C@@H]1CCOCCN1C(=O)Nc1cc(=O)n(C)cn1 888509270 QVGSSWAFRLQAQS-SECBINFHSA-N 266.301 0.423 0 50 CCAA CCc1ccccc1-n1cc(CN2CCNC(=O)C2)nn1 899705337 BKNQZYJEEUCBQZ-UHFFFAOYSA-N 285.351 0.762 0 50 CCAA C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cc(O)n(C)n1 597277408 ZSHPTHBWBYHUHL-FWMBLBRJSA-N 271.342 0.107 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)[C@@H](N=c2ccc3ncc[nH]c-3n2)C1 662896803 PPSGRBYOZMCCOO-HGNGGELXSA-N 274.280 0.034 0 50 CCAA Cc1cnc(N2CC[C@@H](n3cc(C(=O)O)nn3)C2)nc1C 579582166 NTBKWHBRSOUXOO-SNVBAGLBSA-N 288.311 0.835 0 50 CCAA Cc1cc(C)n(C[C@@H](C)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)n1 1506400386 MFGVNBVOXRTMHX-RBGFHDKUSA-N 293.411 0.952 0 50 CCAA CSc1ncc(C(=O)N2CCN3CCOC[C@@H]3C2)cn1 1857690764 RSYJDEUBOVALBC-NSHDSACASA-N 294.380 0.355 0 50 CCAA Cc1cc(COCC(=O)N[C@H]2C[C@H](N)C23CCC3)no1 1615555761 XSMAPIXZEIFTCV-RYUDHWBXSA-N 279.340 0.886 0 50 CCAA O=C(NCc1nc2ncccc2o1)[C@@H]1CCn2ncnc2C1 1857675454 YTARWRMVQCHRJZ-SECBINFHSA-N 298.306 0.693 0 50 CCAA Cc1nc[nH]c1CC(=O)N1C[C@@H]2CCCN2C(=O)[C@@H]1C 1857685258 GAODWCUKBZSSQM-QWRGUYRKSA-N 276.340 0.482 0 50 CCAA O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCn2nccc2C1 1857726198 JBHPEMNEGDOFLL-JTQLQIEISA-N 285.351 0.974 0 50 CCAA Cc1cc(O)nc(C(=O)N[C@@H]2C[C@H](O)C2(C)C)c1 408053647 ILEWUBCVCBXZQX-ZJUUUORDSA-N 250.298 0.985 0 50 CCAA CCC(=O)N[C@@H]1CCCN(C(=O)COCC2CC2)C1 331791594 HENUYNXPRBSEJI-GFCCVEGCSA-N 268.357 0.930 0 50 CCAA C[C@@H]1NCCC[C@H]1C(=O)N1CCNC[C@H]1c1cccnc1 333418685 SEPIXTDZVDTSFR-CFVMTHIKSA-N 288.395 0.943 0 50 CCAA C[C@@H]1CN(S(=O)(=O)NC[C@@H](N)c2ccccc2)CCO1 237524244 DVYQZDLPFHUCPT-DGCLKSJQSA-N 299.396 0.242 0 50 CCAA NC(=O)NC[C@H]1CCCCN1C(=O)CC1CCNCC1 237900115 ZACLDZGERYUDEJ-GFCCVEGCSA-N 282.388 0.426 0 50 CCAA Fc1cnc(N2CCO[C@H](Cn3cncn3)C2)nc1 676564689 MXPAEWDWHCBJCR-JTQLQIEISA-N 264.264 0.113 0 50 CCAA Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)no1 267310393 MNUXRRJBNVPMMP-WDEREUQCSA-N 265.313 0.686 0 50 CCAA Cc1cc(CCC(=O)N2CCC[C@H]2C(=O)O)no1 909639933 LPLLLLGCVIOEQX-JTQLQIEISA-N 252.270 0.991 0 50 CCAA CCC[C@H](C(=O)N1CC(O)(C(N)=O)C1)c1ccccc1 822759111 PZJXHIZSLILTIK-LBPRGKRZSA-N 276.336 0.629 0 50 CCAA CC(C)(NC(=O)Cn1cnc(-c2ccccc2)n1)C(=O)O 833460037 RIQVPLJLWJMTRS-UHFFFAOYSA-N 288.307 0.925 0 50 CCAA COc1ccc(CC(=O)NC2(C(=O)O)CC2)cc1OC 203648177 OWFNKISSDVCMMJ-UHFFFAOYSA-N 279.292 0.980 0 50 CCAA CCc1nc([C@@H]2CCCN2C[C@@H](O)COC)no1 229658079 BYBLZKLZWUOFHA-ZJUUUORDSA-N 255.318 0.776 0 50 CCAA C[C@@H]1C[C@@H](NC(=O)c2ccnc(CN)c2)CCN1C 130435411 BYHAEYKWLAHVLA-PWSUYJOCSA-N 262.357 0.753 0 50 CCAA CCN1C[C@H](NC(=O)c2c(O)cccc2O)CC1=O 67472643 UEPVDNILIULJJF-MRVPVSSYSA-N 264.281 0.448 0 50 CCAA O=C(O)[C@@H]1COCCN(C(=O)Cc2ccsc2)C1 700378821 VCBIWNXHMQRQJM-JTQLQIEISA-N 269.322 0.850 0 50 CCAA COCCN(Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 330365302 KLBPVXGGSCWLDR-LLVKDONJSA-N 288.369 0.619 0 50 CCAA O=C(NC[C@@H](O)c1cnc[nH]1)[C@H]1Cc2ccccc21 1349185690 SHRLIXJPGQOWOP-WCQYABFASA-N 257.293 0.899 0 50 CCAA O=C(NC[C@@H](O)c1cnc[nH]1)[C@@H]1Cc2ccccc21 1349185689 SHRLIXJPGQOWOP-DGCLKSJQSA-N 257.293 0.899 0 50 CCAA Cn1c2c(c(=O)n(C)c1=O)CN(Cc1ccco1)CN2 33702 IYLBRZOCEFRKPU-UHFFFAOYSA-N 276.296 0.062 0 50 CCAA O=C(O)CSCC(=O)N1C[C@@H](C(=O)O)C2(CCC2)C1 2325779039 CNHUSBPTKGAPLN-QMMMGPOBSA-N 287.337 0.518 0 50 CCAA O=C(Cn1ncccc1=O)Nc1ccc2[nH]ccc(=O)c2c1 2325864861 BUSIGHKDSOLXDN-UHFFFAOYSA-N 296.286 0.724 0 50 CCAA C=CC(=O)N1CCN(Cc2ccnn2COC)CC1 2325900284 SGVKSBWMXUHFLW-UHFFFAOYSA-N 264.329 0.317 0 50 CCAA O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 82375 GHDGMVQYDHCGOI-NSHDSACASA-N 284.262 0.740 0 50 CCAA O=C(CS(=O)(=O)Cc1ccccc1)NC[C@H]1CCCO1 620442 SEECKYRZCSJNDE-CYBMUJFWSA-N 297.376 0.897 0 50 CCAA Cc1nc(N2CC[C@@](O)(CN(C)C)C2)nc(C)c1C 2356134583 SVGLVLHRFHUFSK-CQSZACIVSA-N 264.373 0.905 0 50 CCAA Oc1ncnc2c1CCN(Cc1ccn3ncnc3c1)C2 2356147829 RDXADISQHBZRSJ-UHFFFAOYSA-N 282.307 0.783 0 50 CCAA NC(=O)COc1ccc(Br)cc1CO 2554826 XVZZBUBDLNEGAB-UHFFFAOYSA-N 260.087 0.806 0 50 CCAA COC(=O)CNC(=O)COc1ccc(C)cc1C 4542593 JSBSUINBHRKVFQ-UHFFFAOYSA-N 251.282 0.971 0 50 CCAA O=C(OCCN1CCOCC1)[C@H]1COc2ccccc2O1 20058034 RHPWNBLSCKLIEB-CQSZACIVSA-N 293.319 0.702 0 50 CCAA CSCC[C@H](NC(=O)c1csc(N)n1)C(=O)O 55188181 SJANDWFPOTXUGV-YFKPBYRVSA-N 275.355 0.661 0 50 CCAA COCCN1CC[C@@H](CNC(=O)Cn2cc(C)cn2)C1 68477520 VCVCMDISLSKKJW-ZDUSSCGKSA-N 280.372 0.276 0 50 CCAA CNC(=O)c1cccc(C(=O)N2CCC[C@@H](NC)C2)c1 151043074 GVNUVQGZMIXVFN-CYBMUJFWSA-N 275.352 0.870 0 50 CCAA CCn1cc(S(=O)(=O)N[C@@H](C)c2nc(C)no2)cn1 66916780 GTLAZXBRSJRTNY-ZETCQYMHSA-N 285.329 0.634 0 50 CCAA CC(C)(C)n1cc(C(=O)Nc2ccc(O)nn2)nn1 252509685 YTKDUBQTKMTISZ-UHFFFAOYSA-N 262.273 0.781 0 50 CCAA CN(CCOc1ccccc1)C(=O)c1c[nH]c(=O)[nH]c1=O 67840747 JUNYJUWLZXRQTC-UHFFFAOYSA-N 289.291 0.214 0 50 CCAA C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCO2 331893315 ONGVKWZLOZYOIC-DTWKUNHWSA-N 285.321 0.559 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 261988609 SLQIEHOHCOZZPL-DALJILGISA-N 272.348 0.818 0 50 CCAA NC(=O)C1(C(=O)NCc2nc(C3CCCCC3)no2)CC1 219661400 BQZQLHVJDUYDIQ-UHFFFAOYSA-N 292.339 0.999 0 50 CCAA O=C(N1CCc2c(nc[nH]c2=O)C1)C1(Cn2cccn2)CC1 72129653 NQKNXWGTERTNTO-UHFFFAOYSA-N 299.334 0.332 0 50 CCAA CCC(=O)N1CCN(C(=O)CC[C@@H]2CCC(=O)N2)C1 333364884 DOSZAJSDRGCZGX-JTQLQIEISA-N 267.329 0.084 0 50 CCAA Cc1nc(CC(=O)NC2(C(=O)O)CCOCC2)cs1 127446048 KBNACCNOHAGBMG-UHFFFAOYSA-N 284.337 0.744 0 50 CCAA C[C@H]1CNC(=O)CCN1Cc1ccc(N(C)C)nc1 216254487 NMIQIXXUIOXMRA-NSHDSACASA-N 262.357 0.858 0 50 CCAA NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSC2)cc1 32586977 QLZPNJYJXQYSFY-VIFPVBQESA-N 286.378 0.569 0 50 CCAA C[C@@H](NC(=O)CN1C[C@H](F)C[C@H]1C(N)=O)c1cccs1 285423895 IHSGVHAZRJIZBS-BBBLOLIVSA-N 299.371 0.823 0 50 CCAA Cc1nc2cc(CNS(=O)(=O)N(C)C)ccc2n1C 74999019 HFRXDVPSAAYFLQ-UHFFFAOYSA-N 282.369 0.778 0 50 CCAA Cc1cnc(N2CC[C@@](O)(CN(C)C)C2)nc1N(C)C 72478906 HGRUXFGIJGTLGF-CQSZACIVSA-N 279.388 0.354 0 50 CCAA CC[C@H](NC(=O)CNC(N)=O)c1cccc(C)n1 220122841 RYCUMBPIYAQWLK-VIFPVBQESA-N 250.302 0.626 0 50 CCAA CC1=NO[C@H](C(=O)NCCCc2nnc3ccccn23)C1 426555454 ICMOIUAWJVZOQF-NSHDSACASA-N 287.323 0.943 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCCCc1cnn(C)c1 220082087 UAEOJVQRLPXFIW-SECBINFHSA-N 268.317 0.213 0 50 CCAA CN(C)c1nc(NCCN2CCC[C@H](CO)C2)ncc1F 95374331 GUHDCONDVDADER-NSHDSACASA-N 297.378 0.798 0 50 CCAA Cc1ccc(CN2C[C@H](CO)[C@H](CN3CCOCC3)C2)o1 91625932 JZLLQQAFMUCCPF-HUUCEWRRSA-N 294.395 0.961 0 50 CCAA Cc1cnc(CNS(=O)(=O)N2CCCCC2)cn1 243197862 KDFGPNJSIRMKDI-UHFFFAOYSA-N 270.358 0.605 0 50 CCAA O=C(c1ccccc1Cn1ccnn1)N1CCO[C@@H]2C[C@@H]21 622876932 VWSGVQIRQAIQHM-UONOGXRCSA-N 284.319 0.940 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 299744105 QYNCNMTUPDWINK-VHSXEESVSA-N 257.286 0.115 0 50 CCAA Cc1nc(CN(C)[C@@H]2CCN([C@H]3CCOC3=O)C2)no1 299754305 RHYAIMOYUQYIFK-MNOVXSKESA-N 280.328 0.200 0 50 CCAA Cc1cnc(CN2CCC([C@H](O)C(=O)NC3CC3)CC2)o1 299753394 YCCQZIWDXXCOET-AWEZNQCLSA-N 293.367 0.835 0 50 CCAA Cc1ccc(CC(=O)NC[C@@H]2CCNC[C@H]2O)cc1F 534592065 IDOZCBNYONBXBG-GXTWGEPZSA-N 280.343 0.763 0 50 CCAA O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc2c1COC2 1940195298 KHPPOVMWOWZLQO-JTQLQIEISA-N 281.333 0.634 0 50 CCAA Cc1csc(S(=O)(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 632350411 KLSGEZGQDDHHPB-UWVGGRQHSA-N 290.410 0.352 0 50 CCAA CN(Cc1cc(C2CC2)on1)C(=O)[C@@H]1C[C@@H](O)CN1 299785713 KAFMFZOXPMHZLQ-MNOVXSKESA-N 265.313 0.233 0 50 CCAA CNCc1n[nH]c(=NCCOCc2ccccc2)o1 390261382 ZIQVTXMETAHUTH-UHFFFAOYSA-N 262.313 0.840 0 50 CCAA CCn1nc(CO)c2c1CCN([C@@H]1CCCOC1)C2 584893610 MYOJCODXPROJQB-LLVKDONJSA-N 265.357 0.932 0 50 CCAA CN(CCCn1cccn1)[C@H]1CCNC(=O)CC1 670453690 PJNRNYNLYBRNML-GFCCVEGCSA-N 250.346 0.874 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)C2CCOCC2)C1 670462323 GFRWVSLCCURCIU-LBPRGKRZSA-N 270.373 0.450 0 50 CCAA O=C(NCc1ccnn1[C@@H]1CC1(F)F)Nc1cnn[nH]1 1875332674 DXEVQQMMHNULPY-SSDOTTSWSA-N 283.242 0.903 0 50 CCAA COC(=O)C1(CNC(=O)N2CCC[C@@H]2C)COC1 1875312038 GOZNHBLVNXDLLA-VIFPVBQESA-N 256.302 0.370 0 50 CCAA O=C(O)c1coc2c1CN(C(=O)[C@@]13C[C@@H]1[C@H](O)C3)C2 1875313114 HJUCXCDETVRQQQ-JRKPZEMJSA-N 263.249 0.591 0 50 CCAA CS(=O)(=O)NC(=O)Cc1ccn(-c2ccccc2)n1 1875391128 ZYTDYNWIZOJIQO-UHFFFAOYSA-N 279.321 0.491 0 50 CCAA CN(C)c1ncc(CN(CCO)Cc2nccn2C)s1 952869249 NHIYQXMGCBYAQK-UHFFFAOYSA-N 295.412 0.937 0 50 CCAA O=C(c1ccoc1)N1CCN([C@]2(C(=O)O)CCOC2)CC1 886096814 KFNVSYPFKQDMTG-CQSZACIVSA-N 294.307 0.281 0 50 CCAA COCc1nccc(N[C@@H]2CCCN(C(N)=O)C2)n1 892741020 MYKMNUAGYDGSMN-SECBINFHSA-N 265.317 0.578 0 50 CCAA Nc1ncc2c(n1)CCN(C(=O)[C@H]1C[C@@H]1C(F)F)C2 1336766600 HRDBDYICWJCZKW-YUMQZZPRSA-N 268.267 0.845 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ncc(F)cc1F 1565510895 FKTCUFXSIPZTDJ-UWVGGRQHSA-N 272.251 0.894 0 50 CCAA CSCc1ccc(C(=O)N2CC[C@H](N)[C@@H](O)C2)o1 1565527217 SIKNDNIJZRPFDU-UWVGGRQHSA-N 270.354 0.677 0 50 CCAA CC(C)C[C@H](CN)CC(=O)OCC(=O)N1CCOCC1 408525734 YSRJESGNCVBSMB-LBPRGKRZSA-N 286.372 0.400 0 50 CCAA COCCN1CCCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1=O 190874051 BYUZVVXNLDGRRF-QWHCGFSZSA-N 298.383 0.509 0 50 CCAA Cc1n[nH]cc1CN1CCS(=O)(=O)CC[C@H]1C 192053503 WPQOUMVWUVKEFA-SECBINFHSA-N 257.359 0.727 0 50 CCAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)[C@@H]1COCCO1 653330179 BFVNPKORMSFYOW-UPJWGTAASA-N 291.303 0.831 0 50 CCAA COc1ccc(CN2CC[C@H](N3CC[C@H](O)C3)C2=O)cc1 659879919 FKSVFOIGRQDEIU-ZFWWWQNUSA-N 290.363 0.863 0 50 CCAA CC[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2C[C@H](C)[C@@H](N)C2)C1 662983815 OAVFSAJATVMIGM-LOWDOPEQSA-N 281.400 0.829 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@@H]1COCO1 585088062 JERZYJJIRJLJJC-NXEZZACHSA-N 286.328 0.485 0 50 CCAA Cc1cnc(C(=O)Nc2nnc(CCN(C)C)s2)cn1 1529173403 VVZZGLSTYMBSMV-UHFFFAOYSA-N 292.368 0.993 0 50 CCAA C[C@H](C(=O)N[C@H]1CC(=O)N(c2cnn(C)c2)C1)C1CC1 1615585726 CFHVAHXGLVBIIR-ONGXEEELSA-N 276.340 0.688 0 50 CCAA CC(C)N1CCN(C[C@@H]2CCC(=O)N(C)C2)CC1 1772813238 VVHORPRBMOTBDR-CYBMUJFWSA-N 253.390 0.881 0 50 CCAA CN1Cc2ccccc2C[C@H]1CNc1nnc(CN)o1 1772705166 KWJCMGABRMMHSD-LBPRGKRZSA-N 273.340 0.997 0 50 CCAA Cc1nnc([C@@H](NC(=O)c2ccc(Cl)cc2)C(N)=O)o1 1775976130 OYMUPGBUCUEWIM-VIFPVBQESA-N 294.698 0.988 0 50 CCAA CCCN1C[C@H](NC(=O)Cc2c(C)noc2C)CC1=O 19148462 BYFUTHXHHWLEBN-LLVKDONJSA-N 279.340 0.961 0 50 CCAA O=C1NC(=O)[C@@H]2[C@@H](c3ccco3)NN(Cc3ccccc3)[C@H]12 19166799 POQODQPYHFVSQT-MCIONIFRSA-N 297.314 0.982 0 50 CCAA C[C@H]1CN2C[C@@H](Nc3ncc(F)c(N(C)C)n3)C[C@H]2CO1 1857738581 OMJAHNMSCHUQKI-DCAQKATOSA-N 295.362 0.955 0 50 CCAA NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccncc1F 682612409 WGTITWGBWBWQFV-PTRXPTGYSA-N 277.299 0.947 0 50 CCAA NCC(=O)NCC(=O)Nc1ccc2c3c(cccc13)CC2 124514012 FCKUYOCLYRWAHQ-UHFFFAOYSA-N 283.331 0.952 0 50 CCAA CC(=O)Nc1nc(C(=O)N2C[C@H](O)C(C)(C)C2)cs1 279290267 KVTDXYVDEDQQKV-VIFPVBQESA-N 283.353 0.944 0 50 CCAA CS(=O)(=O)NC1CCN(C[C@H]2CCOC2)CC1 65491670 VQHUSAGXEREVGK-SNVBAGLBSA-N 262.375 0.037 0 50 CCAA C[C@@H]1C(=O)CCN1C(=O)c1nc(Br)c[nH]1 2325804337 HBGJSSMUVCHHKH-RXMQYKEDSA-N 272.102 0.976 0 50 CCAA O=C1[C@H](N=c2[nH]nc(C3CC3)o2)C[C@H]2CCCCN12 2325790497 QBVNKLPLQAUTNE-NXEZZACHSA-N 262.313 0.934 0 50 CCAA CCNc1nc(NC(C)C)nc(Nn2cnnc2)n1 374830 FUZLTVDZVKIRKJ-UHFFFAOYSA-N 263.309 0.590 0 50 CCAA COc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c1 2862012 WAIYOLBUTQTIHL-LLVKDONJSA-N 285.321 0.933 0 50 CCAA Cn1c(C(=O)NCC(=O)NCC(=O)O)cc2ccccc21 170625770 CHULILPQHOOBLK-UHFFFAOYSA-N 289.291 0.109 0 50 CCAA biogenic O=C(O)c1cc2n(n1)CCCN(C(=O)[C@@H]1CCCCO1)C2 65406735 INZMKADVWWAREG-LBPRGKRZSA-N 293.323 0.883 0 50 CCAA COC[C@H](O)CN(C)C(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C 239722393 CCPPLUNRWCBKGL-YVECIDJPSA-N 272.389 0.713 0 50 CCAA O=C1NC(=O)[C@@H](Cc2nc(C3CC3)nn2-c2ccccn2)N1 65407082 YZYXVZPLGSLTAV-SECBINFHSA-N 298.306 0.290 0 50 CCAA CNC(=O)c1cccc(C(=O)N2CCC[C@H](NC)C2)c1 151043142 GVNUVQGZMIXVFN-ZDUSSCGKSA-N 275.352 0.870 0 50 CCAA CNS(=O)(=O)[C@H]1CCN(C(=O)/C=C/c2ccco2)C1 363500401 QVPAQTMCCOVWFJ-ZWNMCFTASA-N 284.337 0.443 0 50 CCAA COC(=O)CN1CCC(N[C@H]2CCNC2(C)C)CC1 67688784 XORZRHGAPANURI-LBPRGKRZSA-N 269.389 0.354 0 50 CCAA O=C(NC[C@]1(O)CCOC1)c1ccnc2ccncc12 282441678 GSDVTXUAEBPGPS-CQSZACIVSA-N 273.292 0.511 0 50 CCAA Cc1c(C(=O)N2CCCO[C@H](CN)C2)cnn1C(C)C 521434340 QXFYYVGEWRUBSP-GFCCVEGCSA-N 280.372 0.962 0 50 CCAA CC(C)(O)CCc1ccc(C(=O)NCC(N)=O)cc1 72474649 LZPRPWLBMBQEOP-UHFFFAOYSA-N 264.325 0.605 0 50 CCAA CN(Cc1cc(-c2cccnc2)no1)C[C@@]1(O)CCNC1 72421780 CHWRPHJNAAGRKP-OAHLLOKOSA-N 288.351 0.893 0 50 CCAA O=C(CCN1CCOC[C@H](O)C1)NCc1ccc(F)cc1 77406419 GTHJVAYZHCZYMW-CQSZACIVSA-N 296.342 0.525 0 50 CCAA Cc1nc(CCNC(=O)CNC(=O)N(C)C)sc1C 215859764 OBJPAIVWIPIBSI-UHFFFAOYSA-N 284.385 0.690 0 50 CCAA CCc1nccn1CCC(=O)N1CCOC[C@@H](O)C1 77472569 YWZLAMPSCRJHMS-NSHDSACASA-N 267.329 0.055 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)CC(C)C 219846285 QFKGSISIXREXKP-QCNOEVLYSA-N 277.386 0.612 0 50 CCAA CO[C@](C)(CNC(=O)c1ccc(O)nn1)C1CC1 331822193 IHTXLMWKWDICEX-GFCCVEGCSA-N 251.286 0.727 0 50 CCAA C[C@H](CN(C)C(=O)[C@H]1CCC(C)(C)O1)c1nn[nH]n1 330315774 PSFLOGSZDDEYQI-RKDXNWHRSA-N 267.333 0.719 0 50 CCAA CC(=O)c1c(C)nn(CC(=O)N[C@H]2CC[C@H]2N)c1C 72167968 PSRNKYGIVUHEQG-MNOVXSKESA-N 264.329 0.308 0 50 CCAA CC(=O)N1CC(C(=O)N(C)C[C@H]2CCc3nccn3C2)C1 365030615 XSMTUTYZYXPRSO-GFCCVEGCSA-N 290.367 0.382 0 50 CCAA COc1ccc(S(=O)(=O)N2CCNCC2)cc1Cl 34650916 VPTNXXJYSREAMT-UHFFFAOYSA-N 290.772 0.943 0 50 CCAA C[C@@H](C(=O)NCc1cnn2ccccc12)N1CCCC1=O 72149290 UDETTZBFRMQNEG-NSHDSACASA-N 286.335 0.961 0 50 CCAA C[C@H]1CN(C(=O)[C@@H](N)C2CCOCC2)CC(C)(C)O1 261603810 AHHJXCPSXFXMDD-JQWIXIFHSA-N 270.373 0.766 0 50 CCAA CC(C)n1cc(CNC(=O)CC[C@@H]2NC(=O)NC2=O)cn1 219490554 XZQRBOQPAUOADY-JTQLQIEISA-N 293.327 0.068 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)C[C@@H](C)O1 33359647 SUKRFZFACFBMOK-NXEZZACHSA-N 298.364 0.583 0 50 CCAA O=C(N=c1nc2n([nH]1)CCCC2)c1cc(C2CC2)[nH]n1 333539349 RRWYZAOBKNRKMV-UHFFFAOYSA-N 272.312 0.889 0 50 CCAA CCCc1cc(C(=O)NCCCN2CCOCC2)[nH]n1 47614572 PYXTXHWBXWODLP-UHFFFAOYSA-N 280.372 0.814 0 50 CCAA Cc1cn2cc(C(=O)N[C@@H]3COCC[C@H]3O)ccc2n1 223927273 YDJCNLWGVBZYKD-VXGBXAGGSA-N 275.308 0.522 0 50 CCAA N[C@@H]1CN(C(=O)NCc2cncc(O)c2)CC12CCC2 1553536255 IRVNSGPDXBCVKU-GFCCVEGCSA-N 276.340 0.810 0 50 CCAA CCN1C[C@@H](NC(=O)CCc2cccnc2)CC1=O 222342664 NFLQZFADTJVEHW-LBPRGKRZSA-N 261.325 0.751 0 50 CCAA Cc1c(S(=O)(=O)N2CCOCC(F)(F)C2)cnn1C 292256107 JZLBDECEVMZVRX-UHFFFAOYSA-N 295.311 0.385 0 50 CCAA O=C(c1ccc(C(F)(F)F)c(O)n1)N1CCOCCN1 615503856 PJSRKZNPXVOCJG-UHFFFAOYSA-N 291.229 0.783 0 50 CCAA Cc1ccn(CCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)n1 222850866 JULZJKIRSSNMBN-FAAHXZRKSA-N 292.383 0.415 0 50 CCAA O=C(c1cncc(=O)[nH]1)N1CC[C@@]2(O)CCCC[C@H]2C1 426697252 BJMRZNLJRRJOQD-HZMBPMFUSA-N 277.324 0.537 0 50 CCAA C[C@H](O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(F)cc1 618911058 AWBDMLRATJSQOQ-GXFFZTMASA-N 294.326 0.927 0 50 CCAA COCC1CCN(C(=O)C[C@H]2CNCCO2)CC1 91312445 DBOMDWHTUGSWMD-LBPRGKRZSA-N 256.346 0.250 0 50 CCAA O=C(CN1CCCCC1=O)NC[C@@H](CO)Cc1ccco1 97655510 WZVWIZBDRVPAOU-LBPRGKRZSA-N 294.351 0.559 0 50 CCAA COC(=O)CSCC(=O)N[C@@H]1CCSC1=O 97756742 VLQHIMHOYRPRTM-ZCFIWIBFSA-N 263.340 0.041 0 50 CCAA CC(=O)N[C@H]1CCN(c2cc([C@H]3C[C@@H](O)C3)nc(C)n2)C1 244873349 WOQFVIXSSWTVME-RWMBFGLXSA-N 290.367 0.738 0 50 CCAA O=C(C[C@H](c1ccsc1)n1cnnn1)Nc1nc[nH]n1 524732845 SUTTVCMOMBDUPO-MRVPVSSYSA-N 290.312 0.471 0 50 CCAA C[C@@H](O)C(=O)NCCCNC(=O)c1ccccc1 252540393 PISDJTWRQFMCCK-SNVBAGLBSA-N 250.298 0.304 0 50 CCAA CCc1nccn1CCCNC(=O)Nc1cn(C)nn1 299795069 LEOWVLVSKORIOM-UHFFFAOYSA-N 277.332 0.786 0 50 CCAA COc1cc(C(=O)NCCN2CCC[C@@H](CO)C2)ccn1 828711262 WDXXKETZCQCPTB-GFCCVEGCSA-N 293.367 0.524 0 50 CCAA Cc1[nH]nc(CN2CCO[C@H](C(=O)N(C)C)C2)c1Cl 584900094 JOENUZINQVDBRY-JTQLQIEISA-N 286.763 0.661 0 50 CCAA CN(CCCN1CCOCC1)C(=O)C[C@H]1CCCOC1 584888126 NIRNYOMBRGMZJZ-CQSZACIVSA-N 284.400 0.984 0 50 CCAA COc1ccc2ncn(C[C@]3(O)CCCNC3)c(=O)c2c1 670434163 HEVGPOGQXQPDLJ-HNNXBMFYSA-N 289.335 0.520 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC[C@@H]1C(=O)OC 900121173 RQLAZSIZTJFBGI-SNVBAGLBSA-N 268.313 0.185 0 50 CCAA CCOc1cccnc1N1CCN(CC(N)=O)CC1 952994900 WHEIFHMSOXDRCX-UHFFFAOYSA-N 264.329 0.088 0 50 CCAA Cc1nonc1Cn1c(=O)c(C(F)(F)F)cn(C)c1=O 1875281147 RDUMFQIBWBMCDH-UHFFFAOYSA-N 290.201 0.306 0 50 CCAA Cc1nc2c([nH]1)C[C@@H](N=c1[nH]ccn3c(C)nnc13)CC2 1875288366 YIPSCSYPKWIWMO-JTQLQIEISA-N 283.339 0.856 0 50 CCAA C[C@H](NC(=O)c1ccc2n[nH]cc2c1)C1(O)CCNCC1 1875280739 ISCUTEFOBMSLPT-JTQLQIEISA-N 288.351 0.796 0 50 CCAA NCC1CN(C(=O)c2cc(-c3cccnc3)on2)C1 1875326601 GEVXEQWVPWDDHX-UHFFFAOYSA-N 258.281 0.767 0 50 CCAA O=C1NC(=O)[C@@]2(CCCN(Cc3c(F)cncc3F)C2)N1 1333018680 XMNGZHJEOCXKOH-ZDUSSCGKSA-N 296.277 0.534 0 50 CCAA N[C@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@@H]1O 1565527447 CPZATEDQCCKYGK-JSGCOSHPSA-N 285.351 0.433 0 50 CCAA CN(C(=O)c1ccc(-n2ccnc2)nn1)[C@@H](CN)C1CC1 581725247 DHIXSYSYRBHWLO-LBPRGKRZSA-N 286.339 0.472 0 50 CCAA Cc1cccc(NC(=O)C(=O)N2CCC[C@H](O)C2)n1 170609838 DADHMOKZPFOMIS-JTQLQIEISA-N 263.297 0.312 0 50 CCAA NC(=O)[C@H]1CN(Cc2ncc(C(F)(F)F)s2)CCO1 279373177 JEUFXNIAKRVYSQ-ZCFIWIBFSA-N 295.286 0.848 0 50 CCAA C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](n1cncn1)C(F)(F)F 633984207 LWFOMWRMOUAOKU-XHNCKOQMSA-N 292.261 0.923 0 50 CCAA C[C@H](CN1CCCC1=O)NC(=O)c1cn(C(C)(C)C)nn1 189114787 FDAHYZXGLJAKBN-SNVBAGLBSA-N 293.371 0.774 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1Cc1ccnn1C 189832235 INSMGHMSZHCEMY-LBPRGKRZSA-N 250.346 0.767 0 50 CCAA Cn1nnc2cc(S(=O)(=O)NC3CC(CO)C3)ccc21 660146616 YIBHINIASNCQMU-UHFFFAOYSA-N 296.352 0.018 0 50 CCAA COC[C@H]1CN(C(=O)C2CN(C(C)=O)C2)CC(C)(C)O1 343758769 UPHWTLRDKRPZLB-GFCCVEGCSA-N 284.356 0.117 0 50 CCAA O=C([C@@H]1COc2ccccc21)N1CC[C@@]2(CNCCO2)C1 1616040694 SYTPRSLRYJCLPM-CZUORRHYSA-N 288.347 0.754 0 50 CCAA Cc1ccc(CNC(=O)N2CCN3CC[C@H]2C3)nc1 1615587590 IFJFFGLQAWYPFJ-ZDUSSCGKSA-N 260.341 0.990 0 50 CCAA C[C@@H]1NC(=O)[C@H]2CN(Cc3cccs3)CCN2C1=O 14534663 RJFNRSXPWYDTQS-GXSJLCMTSA-N 279.365 0.279 0 50 CCAA O=C1C[C@@H](Cn2ccnc2[C@H]2[C@H]3CNC[C@H]32)CN1C1CC1 1857730512 VENZNNHJOMYFEV-DNVSUFBTSA-N 286.379 0.827 0 50 CCAA CO[C@H]1CC[C@@H](C(=O)N2CCC(n3cnnc3O)CC2)C1 614259899 FABBTDHIRMYEFX-PWSUYJOCSA-N 294.355 0.962 0 50 CCAA O=C(NCCc1cn[nH]c1)N1CCOC[C@H]1[C@H]1CCCO1 332849507 JXHNEHBQFRCSIN-QWHCGFSZSA-N 294.355 0.542 0 50 CCAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1CC=C(C)C 818134393 JGLXWWVKWLZULO-LLVKDONJSA-N 263.345 0.483 0 50 CCAA Cn1nnc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)n1 827928386 LFQCKOPZNILYGF-SNVBAGLBSA-N 279.348 0.302 0 50 CCAA CC(C)NC[C@@H](O)CN1C(=O)COc2ccccc21 36950795 HRTACSWYUYQKBT-LLVKDONJSA-N 264.325 0.771 0 50 CCAA COC(=O)[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1 166368372 ZVOOEMUHMYUWGM-LLVKDONJSA-N 279.292 0.715 0 50 CCAA C[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)CO1 1875311296 SVXXCJCNJKMJSC-SKHVAJMDSA-N 253.298 0.637 0 50 CCAA CO/C=C(/C(=O)OC)N1C(=O)c2ccccc2C1=O 336457 SXSCCUJVAHQRHP-YFHOEESVSA-N 261.233 0.943 0 50 CCAA C[C@H]1Oc2ccc(Cl)cc2N(C[C@H](O)CO)C1=O 235 YIAHFLWLLVEPPS-APPZFPTMSA-N 271.700 0.807 0 50 CCAA in-man Cn1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cn1 845438277 MHWYVCVSNLXNJM-JFGNBEQYSA-N 295.364 0.827 0 50 CCAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1n1cnnc1 100840630 IJSPKZMPNJJNKV-SFYZADRCSA-N 252.661 0.432 0 50 CCAA CS(=O)(=O)c1ccc(C(=O)O)c(N2CCOCC2)c1 42684476 IJHCLZVPIKNHAT-UHFFFAOYSA-N 285.321 0.625 0 50 CCAA in-vitro Cc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1 20726061 PBCOSPAMFIIICT-CQSZACIVSA-N 264.369 0.982 0 50 CCAA CCCc1noc(CS(=O)(=O)[C@H](C)[C@H](C)O)n1 330921011 PXSCSWDFYBTPLP-JGVFFNPUSA-N 262.331 0.706 0 50 CCAA Cc1oc2c(c1C(=O)N1CCOC[C@H](O)C1)C(=O)CCC2 77323829 SPHDLVOEPIAHGY-SNVBAGLBSA-N 293.319 0.940 0 50 CCAA CCCOCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 330556931 FYXQJKQXMRRVQK-XQQFMLRXSA-N 271.357 0.801 0 50 CCAA C[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1cccnc1 361976250 GOKGZCNXKLOYLA-JTQLQIEISA-N 283.353 0.583 0 50 CCAA Cc1cc(NCCc2n[nH]c(=O)[nH]2)n2nc(C)cc2n1 72477174 IDNALKRAXXUOGI-UHFFFAOYSA-N 273.300 0.412 0 50 CCAA COC1CCC(NC(=O)N2CC(=O)N(C3CC3)C2)CC1 333916228 NEKOZALNFDRTJS-UHFFFAOYSA-N 281.356 0.918 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)/C=C/CN(C)C)[C@]12CCCO2 371892925 BQVWVUFFUXJOPQ-RHAULBEESA-N 282.384 0.947 0 50 CCAA C[C@H]1OCCN(Cc2cnn(C(C)(C)C)c2)[C@@H]1C(N)=O 284484910 CEPSWSOVQPKQBM-PWSUYJOCSA-N 280.372 0.713 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)Cc1cnccn1 222921645 VODNZNJHHNYAOZ-SNVBAGLBSA-N 274.328 0.898 0 50 CCAA Cc1cc(Cl)cc2c(=O)n(Cc3nnn[nH]3)cnc12 42628386 OHIAQXXGCDCGFX-UHFFFAOYSA-N 276.687 0.920 0 50 CCAA c1nc(NCCCN2CCOCC2)cc([C@H]2CCOC2)n1 426580694 HCIQZWHYSSXDMK-ZDUSSCGKSA-N 292.383 1.115 0 50 CCAA O=C1N[C@H](C(=O)NCCc2cc[nH]n2)Cc2ccccc21 426492760 GYGVRVNNDSWQNF-ZDUSSCGKSA-N 284.319 0.423 0 50 CCAA CCc1[nH]nc2c1CN(C(=O)[C@@H]1CCS(=O)(=O)C1)CC2 426527151 ZTLONYPGANJLFF-SECBINFHSA-N 297.380 0.292 0 50 CCAA CCN1CCN(C(=O)c2ccncc2O)[C@@H](C)C1=O 222296975 VKIILHUGKBTEDM-VIFPVBQESA-N 263.297 0.480 0 50 CCAA OCc1cnn(-c2cc(O[C@@H]3CCOC3)ccn2)c1 95704792 SOXWCSIBIOFPOF-GFCCVEGCSA-N 261.281 0.927 0 50 CCAA CS(=O)(=O)CCN1C[C@@H](C(=O)O)[C@H](c2cccnc2)C1 91459894 YBNKXSZILFIUDQ-NWDGAFQWSA-N 298.364 0.226 0 50 CCAA O=C(NC[C@H]1CCN(C2CCCC2)C1)c1cncc(=O)[nH]1 426534560 XYFVFRXFVUFWIA-LLVKDONJSA-N 290.367 0.764 0 50 CCAA CN(C)C[C@]1(O)CCCN(c2ccncn2)CC1 91950761 NRCLFBCZNJAEIJ-ZDUSSCGKSA-N 250.346 0.760 0 50 CCAA O=c1c(C(F)(F)F)cccn1CCCn1cnnn1 95362904 QFKMKPYASWGSMB-UHFFFAOYSA-N 273.218 0.944 0 50 CCAA CC(C)Cc1cc(-c2cn(C[C@H]3CNCCO3)nn2)n[nH]1 95374056 RHUKZWWPPDLOHM-GFCCVEGCSA-N 290.371 0.855 0 50 CCAA CCN(C)c1cc(N2CCN3CCN(C)C[C@H]3C2)ncn1 248243027 IBYHALWLYAZVAH-ZDUSSCGKSA-N 290.415 0.369 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)NCCCn1ccccc1=O 244773841 PHOUEFHLYDSKDI-AAEUAGOBSA-N 265.357 0.728 0 50 CCAA O=C(c1cnc2[nH]nnc2c1)N1CCC[C@H](CCO)CC1 622731201 IYRSNNBNDMTTKE-JTQLQIEISA-N 289.339 0.978 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)NC1(C(N)=O)CCCCC1 823412881 YZEMEXKQUOOEFQ-SNVBAGLBSA-N 291.417 0.092 0 50 CCAA COCCN(C)CC(=O)N1CC[C@@H](N2CCCCC2)C1 670468330 POKSSBRFFZLZEE-CQSZACIVSA-N 283.416 0.651 0 50 CCAA CC1(C)NC(=O)O[C@@]12CCN(C(=O)[C@H]1CCO1)C2 1875302089 ZLFJVKNYRMBBFN-PRHODGIISA-N 254.286 0.265 0 50 CCAA O=C1CC(C(=O)N2CC[C@H](n3ncc4ccccc43)C2)=NN1 1875258585 YURFHMRGBSWPIS-NSHDSACASA-N 297.318 0.686 0 50 CCAA Cc1cc(CN=c2nnc(C)c(C)[nH]2)nc(N(C)C)n1 1875263712 YULKVYFTFHGAPL-UHFFFAOYSA-N 273.344 0.687 0 50 CCAA O=C(CN1CCC(CO)CC1)N[C@@H]1CCNC12CCC2 1772254255 DCTGZQVHHZFEII-CYBMUJFWSA-N 281.400 0.092 0 50 CCAA CC(C)(C)OC(=O)NC[C@@H]1CNC[C@@H](C(=O)O)C1 1535543506 ASMYHJIYHUDNDZ-IUCAKERBSA-N 258.318 0.821 0 50 CCAA CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H](O)CO 1363662774 HSRUOSPJDBMRKI-MWLCHTKSSA-N 271.288 0.453 0 50 CCAA C[C@H](C[S@@](C)=O)NCc1cnc(N(C)C)n1C 168787463 JOGFADDMOWEJRF-XLFHBGCDSA-N 258.391 0.343 0 50 CCAA O=C1[C@@H]2[C@@H](C(=O)N1CCN1CCCC1)[C@H]1C=C[C@H]2C1 100626776 MMFNJSOCHQDBHI-CYDGBPFRSA-N 260.337 0.889 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)CCN1 188464797 LMXATVSIXFHXDC-SNVBAGLBSA-N 276.340 0.289 0 50 CCAA CC1(O)CN(C(=O)[C@@H]2CCCN2c2nccs2)C1 407986749 NKXKZOUXAVVYMO-VIFPVBQESA-N 267.354 0.705 0 50 CCAA CC(C)[C@](C)(O)C(=O)N[C@H]1CCCS(=O)(=O)C1 408301281 QVHXFYLTMKJXIZ-ONGXEEELSA-N 263.359 0.087 0 50 CCAA O=C(Nc1ccc2c(c1)OCCO2)NN1CCC[C@@H]1CO 585118838 DUJJHPREZSUOKF-LLVKDONJSA-N 293.323 0.951 0 50 CCAA Cc1noc(C)c1C(=O)N1CCO[C@@](C)(C(=O)O)C1 711534000 AANIFFMTSPFIJD-GFCCVEGCSA-N 268.269 0.607 0 50 CCAA CCN1CCC[C@@H]1CN1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1529189288 KFFNWGFISQBBDO-QKGCVVFFSA-N 268.401 0.534 0 50 CCAA Cc1nn2c(=O)/c(=C/c3cccc(F)c3)sc2nc1=O 199753 PFJBVNOXQAQPMG-POHAHGRESA-N 289.291 0.506 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(Cc2ncccc2Cl)C1 528524088 BFRLVSAMQRBGCM-ZDUSSCGKSA-N 283.759 0.937 0 50 CCAA CCn1ncnc1CN(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 1704300080 TXHMXLSJMOTJPM-FRRDWIJNSA-N 291.399 0.987 0 50 CCAA CNC(=O)CN1CCC(N[C@@H]2COC[C@H]2CC(C)C)CC1 1616040268 BWRBHEBCTFUNEQ-UKRRQHHQSA-N 297.443 0.848 0 50 CCAA Cc1cccc(CCN2C[C@@H]3COC[C@]3(C(=O)O)C2)n1 1775979537 JRUPKHVALUHANR-IUODEOHRSA-N 276.336 0.966 0 50 CCAA NC(=O)[C@H]1CCCN(C(=O)CN2CCCCCC2)C1 25407286 ZXQQFHXDWQNXQI-LBPRGKRZSA-N 267.373 0.586 0 50 CCAA COC(=O)CN(C)C[C@@]1(O)CCCN(CC2CCC2)C1=O 15077097 LGLOFXGBVFWILE-HNNXBMFYSA-N 298.383 0.245 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)NCCc1cn[nH]c1 360286946 YQYQXZRENQGMDC-NWDGAFQWSA-N 282.344 0.398 0 50 CCAA Cc1nn(C)c(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)c1C 1875244959 CXQQVDCEEUKIKW-OLZOCXBDSA-N 292.383 0.440 0 50 CCAA CCc1nc(CN2CCC[C@@]2(COC)C(=O)NC)n[nH]1 643828800 JFKFOARWRLYTHV-CYBMUJFWSA-N 281.360 0.094 0 50 CCAA Cc1cc(N2CCO[C@H](CN(C)CC(N)=O)C2)ccn1 241588312 PBWLBELLEMTNLG-CYBMUJFWSA-N 278.356 0.012 0 50 CCAA COc1cccc([C@@H]2C[C@H](O)CN2C[C@@H](O)[C@@H](C)O)c1 824774958 XHVJPHFRHXLPTF-UEEZHKSASA-N 281.352 0.545 0 50 CCAA Cc1nc(N2CCN(Cc3ccnc(O)c3)CC2)n[nH]1 931629965 XUMBYUHVBPYVMB-UHFFFAOYSA-N 274.328 0.536 0 50 CCAA CCc1nc(C)cc(N2CCC[C@@](O)(C(N)=O)C2)n1 225475727 HHPLCAWDUJWGFJ-ZDUSSCGKSA-N 264.329 0.164 0 50 CCAA O=C(O)[C@@H]1CCCCN1C(=O)c1ccc2nncn2c1 158488555 VIIVVQLLFVYUNR-JTQLQIEISA-N 274.280 0.809 0 50 CCAA O=S(=O)(N1CCCC1)N1CCN(CC2CCC2)CC1 828388677 VFQWFYKNQBVZJW-UHFFFAOYSA-N 287.429 0.745 0 50 CCAA Cc1n[nH]cc1CN(C)S(=O)(=O)c1cn[nH]c1 952872104 JTRFHGXAICFJGY-UHFFFAOYSA-N 255.303 0.262 0 50 CCAA C[C@H]1CN(C(=O)Cn2nnc3ccccc32)CC[C@@H]1O 1412060741 SLCHPOPICSCQCA-GWCFXTLKSA-N 274.324 0.661 0 50 CCAA CC[C@@H](C)C(=O)C(=O)N[C@@H](C)C(=O)NCC(C)C 2325811322 OWENBYJMQHGSMS-ZJUUUORDSA-N 256.346 0.879 0 50 CCAA Cc1ccc(OC[C@H](O)CN(CCO)CCO)cc1C 2940544 DKXMDEQVOHMKNG-CQSZACIVSA-N 283.368 0.330 0 50 CCAA C[C@H](O)C1CCN(c2ncc3c(ncn3C)n2)CC1 2356164615 ZWDLEOWKAKKKMD-VIFPVBQESA-N 261.329 0.961 0 50 CCAA CN[C@H]1CCCN(C(=O)c2n[nH]c3ccccc3c2=O)C1 134029786 RBZZOSAKCQMREJ-JTQLQIEISA-N 286.335 0.747 0 50 CCAA CCC[C@]1(C2CCN(CC(=O)O)CC2)NC(=O)NC1=O 67515542 HDXQWIFJOWPCAT-CYBMUJFWSA-N 283.328 0.161 0 50 CCAA CCCCS(=O)(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328614252 ADGCGPBKMBAXIP-LLVKDONJSA-N 286.401 0.828 0 50 CCAA O=C(O)Cn1ccc(NC(=O)CC2CCOCC2)n1 122800288 VNKDJMSNHLPJCJ-UHFFFAOYSA-N 267.285 0.723 0 50 CCAA COc1ccc(=NC(=O)N2CCN(CC3CC3)CC2)[nH]n1 330254235 PDISABKLAMBYQN-UHFFFAOYSA-N 291.355 0.467 0 50 CCAA CO[C@@H](C(=O)N(C)c1cnn(C)c1)c1cnn(C)c1 330382349 IXSPEFKQVWZHKO-LLVKDONJSA-N 263.301 0.504 0 50 CCAA Cn1ccnc1[C@@H]1CNCCN1S(=O)(=O)c1ccco1 253415945 DXZLNDNKHLBFII-JTQLQIEISA-N 296.352 0.348 0 50 CCAA O=C(c1ccc(-n2cncn2)c(F)c1)N1CCOCC1 172918492 QNODMRZGZDAIQP-UHFFFAOYSA-N 276.271 0.879 0 50 CCAA O=C(c1cnn[nH]1)N1CCC(Nc2ccccn2)CC1 72144550 KZSXYHIKKPAQJV-UHFFFAOYSA-N 272.312 0.916 0 50 CCAA C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)C1CCC(O)CC1 378014402 ZMASZEJSHCYKQQ-XSCHDIRWSA-N 296.411 0.859 0 50 CCAA CCOc1c(F)cccc1C(=O)N1CC[C@](O)(C(N)=O)C1 370416789 ZTSZZYBDHMVGEF-CQSZACIVSA-N 296.298 0.287 0 50 CCAA O=C(c1cn2ccsc2n1)N1CCOC[C@@H](O)C1 77287592 FYYRSOZRFDZFON-QMMMGPOBSA-N 267.310 0.229 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 284660700 WRBBTAFCISEIKQ-CHWSQXEVSA-N 292.383 0.582 0 50 CCAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@H]2CCNC2)C[C@@H](C)O1 263249934 IYZQLEFAGDWDHQ-KBXIAJHMSA-N 295.427 0.696 0 50 CCAA COC[C@@H]1CN(C(=O)Cc2ccnn2C)CC(C)(C)O1 284915795 CGUZRLIAGZHLCO-LBPRGKRZSA-N 281.356 0.615 0 50 CCAA CNC(=O)[C@H](NC(=O)c1c(C)nsc1NC)C(C)C 178587004 HYEYZLHKKZBDQG-SECBINFHSA-N 284.385 0.994 0 50 CCAA O=C(N[C@H](CO)CN1CCCCC1)c1ccc[nH]1 288460566 JXEMQYUUSNMSRX-NSHDSACASA-N 251.330 0.591 0 50 CCAA CCCc1ncncc1C(=O)N1C[C@H](O)[C@@H](OCC)C1 223426822 VPEWJKJRDVZQNY-STQMWFEESA-N 279.340 0.651 0 50 CCAA O=C(CN1CCCCCC1)N[C@@H](Cc1cnc[nH]1)C(=O)O 426436758 SVQUZWOINMYFGQ-LBPRGKRZSA-N 294.355 0.398 0 50 CCAA CN(Cc1cccs1)C(=O)NCCc1nc(O)n[nH]1 426733949 CSWLFOJPLQNIAH-UHFFFAOYSA-N 281.341 0.956 0 50 CCAA CCCc1cc(C(=O)NCc2cc(=O)[nH]cn2)n(C)n1 82116149 WABPGZCJYJHCDN-UHFFFAOYSA-N 275.312 0.386 0 50 CCAA CCCNc1ncc(CN2CC[C@](C)(O)[C@@H](O)C2)cn1 96139379 FITIAPDBTXEQAZ-JSGCOSHPSA-N 280.372 0.616 0 50 CCAA CC[C@H](C(=O)NC1(C(N)=O)CCCC1)n1cccn1 91459451 DASUGEKUWGUBNE-SNVBAGLBSA-N 264.329 0.749 0 50 CCAA O=c1c2ccccc2cnn1CCCn1cnnn1 95387791 UALIQFCPCRLVIL-UHFFFAOYSA-N 256.269 0.473 0 50 CCAA c1ccn2c(Cn3cc([C@@H]4CCOC4)nn3)nnc2c1 95353433 GDJCUTOOYSIVAP-SNVBAGLBSA-N 270.296 0.873 0 50 CCAA CN(C[C@@H]1CCOC1)C(=O)CN1C(=O)N=C(O)C1(C)C 330192117 XNMSRJZBJFFYJF-VIFPVBQESA-N 283.328 0.652 0 50 CCAA CNc1cc(-c2nc(CCOC)nn2CC(=O)O)ccn1 96180923 BQLOPBBKXFHINM-UHFFFAOYSA-N 291.311 0.655 0 50 CCAA CC[C@H](C(=O)NCc1nnc2n1CCC2)n1cccn1 91563287 RJMMDKDKRHGNOH-SNVBAGLBSA-N 274.328 0.688 0 50 CCAA C[C@@H]1CSCCN1C(=O)c1cn(CC2(C)COC2)nn1 184927492 GVHSQTSEAAAMDT-SNVBAGLBSA-N 296.396 0.892 0 50 CCAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC[C@@H](N)C1 251897643 WDMNDMRHRHHEJI-YVECIDJPSA-N 251.374 0.809 0 50 CCAA CCN1C[C@H](N=c2nn[nH]n2-c2ccccc2)[C@@H](OC)C1 534669162 VPYRRXQYMRAAJE-STQMWFEESA-N 288.355 0.215 0 50 CCAA CCC(=O)N[C@@H]1C[C@H](C(=O)N2CCC(C)CC2)C[C@H]1O 1940195112 MBFFPIFESXRESL-YNEHKIRRSA-N 282.384 0.911 0 50 CCAA Cc1c[nH]c(C(=O)NC2CCN(c3cnccn3)CC2)n1 299789363 YHJWMAJDWIPUGS-UHFFFAOYSA-N 286.339 0.907 0 50 CCAA CC[C@H](NC(=O)N1CCNC(=O)C1)c1cc(C)ccn1 584891336 HPCFPEJSWJHRSR-NSHDSACASA-N 276.340 0.983 0 50 CCAA COC(C)(C)CCNC(=O)[C@H]1CSC(C)(C)C(=O)N1 670442521 KGUGNHJUEXQCCF-SECBINFHSA-N 288.413 0.928 0 50 CCAA Cn1cc(C(=O)N2CCCc3c(cnn3C)C2)nc1O 952894731 PYDAMYPKRQSIGJ-UHFFFAOYSA-N 275.312 0.448 0 50 CCAA Cc1cnn(C[C@@H]2NC(=O)[C@@H](Cc3ccco3)NC2=O)c1 1875307907 WAONNULMFMZJMH-NEPJUHHUSA-N 288.307 0.010 0 50 CCAA O=C(O)C[C@H](NC(=O)[C@H]1CCOC1)c1nccs1 1875300429 CDNKILRQWORRRK-YUMQZZPRSA-N 270.310 0.812 0 50 CCAA CCS(=O)(=O)N1CCC[C@](O)(Cc2nc(C)no2)C1 886027379 VLDAVWZYFKSECT-NSHDSACASA-N 289.357 0.097 0 50 CCAA Cc1cccc2ncn(C[C@H]3CCNC[C@@H]3O)c(=O)c12 1565511718 QHHZRDDPQQYNAA-YPMHNXCESA-N 273.336 0.675 0 50 CCAA COCCN1C[C@@H]2CC[C@H]1CN(CCCn1cnnn1)C2 1565530133 WFMQYDOAJBJXRA-KGLIPLIRSA-N 294.403 0.106 0 50 CCAA O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@@H](O)C1 272278808 XYJWBYCDRJHFPB-MRVPVSSYSA-N 271.294 0.171 0 50 CCAA N=c1nc(O)cc([C@H]2CCN(CCn3cccn3)C2)[nH]1 630378808 LTUXTXWDITVMRH-JTQLQIEISA-N 274.328 0.281 0 50 CCAA C=CC(=O)NCCC(=O)N[C@H]1CCN(C(=O)OCC)C1 274525787 AEJYCVIFOOYTQU-JTQLQIEISA-N 283.328 0.026 0 50 CCAA C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccncn1 275509360 ZKCCPLMYHSIUEK-NSHDSACASA-N 278.356 0.394 0 50 CCAA COC(=O)N1CC[C@H](NS(=O)(=O)CC(C)C)C1 170642476 QRAQZJFOHUVWLH-VIFPVBQESA-N 264.347 0.403 0 50 CCAA O=C1CC[C@H](N2C(=O)c3cc(F)c(F)cc3C2=O)C(=O)N1 90015075 AGHXYRKTAZEQQW-VIFPVBQESA-N 294.213 0.366 0 50 CCAA Cc1c[nH]nc1CN1CCN([C@@]2(C(=O)O)CCOC2)CC1 1600061629 BTENTNSIASSIKQ-AWEZNQCLSA-N 294.355 0.079 0 50 CCAA CC(C)N1C[C@H](C)[C@@H](NCc2cc(C(=O)O)nn2C)C1 635307259 KLKPXFMVBGDRAQ-GWCFXTLKSA-N 280.372 0.937 0 50 CCAA CC[C@@]1(O)CCN(c2nc(O)c3cnn(C)c3n2)C1 681674762 SOBGORVKDVCXKQ-GFCCVEGCSA-N 263.301 0.420 0 50 CCAA CN(C(=O)c1ccn(C)c1)C1CCN(S(C)(=O)=O)CC1 408123169 DLKAHKPXBZNOIQ-UHFFFAOYSA-N 299.396 0.521 0 50 CCAA CCc1csc(S(=O)(=O)NC(=O)C2CC2)n1 408494908 ILAFSAMZHIVSOZ-UHFFFAOYSA-N 260.340 0.920 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(CCc2ccnn2C)C1 643812532 OPJULFKWEOMMMV-OAHLLOKOSA-N 294.399 0.268 0 50 CCAA O=C(N[C@H]1CCCCNC1=O)c1cc(O)nc(C2CC2)n1 561315510 HVKDVDSVRIMMQO-VIFPVBQESA-N 290.323 0.458 0 50 CCAA CCOCCC(=O)N(C)C[C@@H]1CCN(CCOC)C1 1506403337 NWVLWSWVYOMNSZ-ZDUSSCGKSA-N 272.389 0.840 0 50 CCAA CCN1CCC[C@@H](CN(C)C(=O)CCS(C)(=O)=O)C1 1506412356 XLDJQELIUVUPEE-LBPRGKRZSA-N 290.429 0.611 0 50 CCAA CCN1C[C@@H](CN(C)c2nc(C(N)=O)cs2)CC1=O 1529126007 KUCDKQHFCWRHKF-MRVPVSSYSA-N 282.369 0.547 0 50 CCAA CC(=O)N1CCN(S(=O)(=O)CCC2CC2)CC1 120322186 ICMZISVXDUDEOI-UHFFFAOYSA-N 260.359 0.280 0 50 CCAA Cc1nsnc1C(=O)NCC(=O)N1CCCC1 1857682179 RKYDUIJMDKUSHL-UHFFFAOYSA-N 254.315 0.199 0 50 CCAA C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccn(C)n2)[C@H]1C 585126747 HMQUPDAYULSNHM-CIUDSAMLSA-N 250.302 0.158 0 50 CCAA Cc1ccoc1C(=O)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772708310 ASLOLXFDKBDWRI-NXEZZACHSA-N 251.282 0.261 0 50 CCAA O=C1CO[C@]2(CCN(C(=O)c3c[nH]c4ccccc34)C2)CN1 1772808571 UIIBEQBGZHSWAU-MRXNPFEDSA-N 299.330 0.899 0 50 CCAA CC(C)NC[C@H](O)COc1ccc(CCO)cc1 5760457 CUKXSBOAIJILRY-ZDUSSCGKSA-N 253.342 0.959 0 50 CCAA in-vitro C[C@@H]1CC(=O)N[C@H](C(=O)NCCn2cnnc2C2CC2)C1 551300249 HUNNAEIJPAXRQV-ONGXEEELSA-N 291.355 0.186 0 50 CCAA CN1CCO[C@H](C(=O)N[C@@](C)(CO)C2CCCCC2)C1 157823330 ZZVHKXFGRYGACF-ZFWWWQNUSA-N 284.400 0.765 0 50 CCAA O=C(OCCN1CCOC1=O)c1nc[nH]c2nccc1-2 850008207 RHERHAVCXHCXQJ-UHFFFAOYSA-N 276.252 0.519 0 50 CCAA COCc1ccccc1CN[C@@H]1CCN(S(C)(=O)=O)C1 400212420 TXZGCVQSKYGWHH-CQSZACIVSA-N 298.408 0.957 0 50 CCAA Cc1cc(C)c(S(=O)(=O)N[C@@H]2CNC[C@H]2O)c(C)c1 534637053 QGDDKMPUCZXUOK-VXGBXAGGSA-N 284.381 0.223 0 50 CCAA CC(C)(F)C(=O)NC[C@@H](C(=O)O)C1CCOCC1 864279842 HDZKQIBVWLXFEP-SECBINFHSA-N 261.293 0.978 0 50 CCAA CCOC(=O)c1cc(C(=O)N2CCc3ocnc3C2)[nH]n1 2325878595 VMQJKIZPVXOHPK-UHFFFAOYSA-N 290.279 0.773 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)NCc2ncccc2Cl)C1 2356135138 QVNCQDSRYLCVOQ-BXKDBHETSA-N 283.759 0.664 0 50 CCAA COCCN1Cc2nnc(-c3ccncc3)n2[C@@H](C)C1=O 2356137503 NTJOMXJXYNTYCP-JTQLQIEISA-N 287.323 0.890 0 50 CCAA Cc1cc(NC(=O)C(=O)N2CCCOCC2)sn1 331529795 KQUXFNUVYGZHEU-UHFFFAOYSA-N 269.326 0.639 0 50 CCAA CCO[C@H]1C[C@@](CO)(NCc2cn(C)nn2)C1(C)C 331746692 DBAZONRFAOJUTD-AAEUAGOBSA-N 268.361 0.471 0 50 CCAA CCO[C@@H](C)C(=O)N1CCO[C@H](CN(C)CC(=N)O)C1 328634399 MTQLXHRXKNUSJV-WDEREUQCSA-N 287.360 0.106 0 50 CCAA Cn1ccnc1[C@@H]1CCN(c2nccn(C)c2=O)C1 328797911 WEWBNFBRFKXSKV-SNVBAGLBSA-N 259.313 0.508 0 50 CCAA C[C@@H]1CC(O)=N[C@H](C(=O)N2CCO[C@]3(CCOC3)C2)C1 329119418 JSSLZQRECIZFDD-COPLHBTASA-N 282.340 0.759 0 50 CCAA CNC(=O)NC1CN(C(=O)c2ccc3cc[nH]c3c2)C1 283197198 MNLFKNDIHAIJPD-UHFFFAOYSA-N 272.308 0.921 0 50 CCAA CC[C@H](O)CN1CCN(c2ccnc3c2cnn3C)CC1 253430085 VNOGWRGZIPQRAQ-LBPRGKRZSA-N 289.383 0.861 0 50 CCAA CC(C)CCOC1CCN(C(=O)Cn2cnnn2)CC1 330418823 WRBRMGTUUCTHHW-UHFFFAOYSA-N 281.360 0.727 0 50 CCAA CN1C(=O)CC[C@@H]1C(=O)NCCc1cscn1 330696142 DKVYKZDPUZIINT-SECBINFHSA-N 253.327 0.423 0 50 CCAA C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc2c(c1)ncn2C 360655039 WUSYDVRFGHQJJT-SNVBAGLBSA-N 286.335 0.876 0 50 CCAA COC(=O)C[C@H]1CN([C@H](C)c2n[nH]c(C)n2)CCO1 331235611 FLGGANIIBFVGPK-SCZZXKLOSA-N 268.317 0.438 0 50 CCAA CCN1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cnn(C)c1 241776854 RTEDGJLAQBZRMY-UONOGXRCSA-N 292.383 0.284 0 50 CCAA Cc1nc(C2CCN(C(=O)c3cn[nH]c3)CC2)n[nH]1 215276615 IGIWEDRNVHQRPT-UHFFFAOYSA-N 260.301 0.856 0 50 CCAA CO[C@@](C)(C(=O)NCc1csc(=O)[nH]1)C1CC1 291944091 PSBRUNMDTPRXAD-LLVKDONJSA-N 256.327 0.868 0 50 CCAA Cc1nnnn1[C@@H](C(=O)NCc1ccno1)c1ccccc1 426410463 IFOIMNJPNCBFGI-CYBMUJFWSA-N 298.306 0.875 0 50 CCAA COC(=O)N[C@H](C)C(=O)N(C)Cc1cnccn1 221306093 NWIPIJNJJCYKOZ-MRVPVSSYSA-N 252.274 0.180 0 50 CCAA O=c1[nH]c(N[C@H]2CCSC2)nc2c1CCNC2 82162181 KVIJMGQLSQOAEU-ZETCQYMHSA-N 252.343 0.333 0 50 CCAA C[C@@H](C(=O)NCCC(=O)N1CCCC1)n1ccnc1 44914752 BBLIAEZHGYMFQU-NSHDSACASA-N 264.329 0.573 0 50 CCAA O=C([C@H]1CSCN1)N1CC[C@@](O)(C(F)(F)F)C1 161815414 SZUPCXLRFHENES-SVRRBLITSA-N 270.276 0.175 0 50 CCAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(N)ccn1)C2 95384196 DRBKQKLAURAWRD-GXSJLCMTSA-N 274.324 0.357 0 50 CCAA Cc1cc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n(C)n1 91792870 CCNRQAUOHNVWLA-LLVKDONJSA-N 292.383 0.992 0 50 CCAA CCN(CC)[C@@H]1CCN(CCn2cc[nH]c2=O)C1 244734447 NFQCLGFKDQGKQJ-GFCCVEGCSA-N 252.362 0.593 0 50 CCAA Cc1ccnc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1 624422755 GQSKWGVRQOSSES-CHWSQXEVSA-N 274.324 0.752 0 50 CCAA O=c1[nH]ccn1CCN1CCC2(CC1)OCCC[C@@H]2O 243901602 BDGCBIXOSAVBFX-LBPRGKRZSA-N 281.356 0.182 0 50 CCAA Cc1nccc(CNC(=O)[C@@H]2CNC[C@H]2C(F)(F)F)n1 299742158 IAGUCEFQSFZRCA-NXEZZACHSA-N 288.273 0.799 0 50 CCAA Cc1cc(N2CCCN(C(=O)[C@@H]3C=CCN3)CC2)ccn1 534654396 KBJDGXKQSFPECC-HNNXBMFYSA-N 286.379 0.957 0 50 CCAA O=C(NCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1C[C@@H](O)CN1 299769540 XYDJZUBQWCDOHI-KCJUWKMLSA-N 294.742 0.555 0 50 CCAA CNC(=O)COc1c2c(cc3c1C(=O)N(C)CC3)OCO2 823825701 CLEAWLYGYMJUCD-UHFFFAOYSA-N 292.291 0.168 0 50 CCAA biogenic CC(=O)c1cc(CN2CCO[C@H](C(=O)N(C)C)C2)n(C)c1 584900745 JEPKUACGCVUDFG-AWEZNQCLSA-N 293.367 0.517 0 50 CCAA O=C(NC1CCN(CCO)CC1)[C@@H]1CC12CCC2 670461294 MJQVRRPVFSOZKP-LBPRGKRZSA-N 252.358 0.750 0 50 CCAA CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1cn[nH]c1 270173620 FIYDZPULAYAABX-PSASIEDQSA-N 282.369 0.898 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H]1CC[C@@H]2CN(C)C[C@@H]2C1 1875376719 GPPOJTUHUCPOOI-SNSPGFKJSA-N 265.401 0.951 0 50 CCAA COCc1cnccc1CNC(=O)/C=C/CN(C)C 1875379661 SYGIODHFTSIUNV-SNAWJCMRSA-N 263.341 0.962 0 50 CCAA CON(CCC(=O)NC(N)=O)Cc1ccc(C)o1 952994261 YIVFXQNFEBQUJE-UHFFFAOYSA-N 255.274 0.536 0 50 CCAA CCn1nccc1[C@H](C)NCC(=O)N1CCOCC1 1875285253 HYBXVJIDVOAYGH-NSHDSACASA-N 266.345 0.412 0 50 CCAA O=C(NCC(=O)N1CC=CC1)c1cc(O)nc(C2CC2)n1 1875296471 YPKKVJQQMHXGFX-UHFFFAOYSA-N 288.307 0.188 0 50 CCAA N[C@H](c1ccns1)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958528676 YQEBGJMQQFLZNT-BLFSSDSTSA-N 288.394 0.614 0 50 CCAA CN1CC[C@@](C)(CNC(=O)/C=C/c2cnc(N)nc2)C1 952979114 QWWWTIYNTYLSJN-XGACYXMMSA-N 275.356 0.530 0 50 CCAA CN1CC2(C1)CN(C(=O)Cn1nc3ccccc3n1)C2 1180295137 GMOPRLSEJQQAFD-UHFFFAOYSA-N 271.324 0.205 0 50 CCAA C[C@@H](Cn1cccn1)NS(=O)(=O)C1CC(F)(F)C1 1775992240 YGANFMRLTLEOJE-QMMMGPOBSA-N 279.312 0.989 0 50 CCAA N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NCC(=O)NCC(F)(F)F 246242265 IVQXWCLQUYQVMS-YIKMNZTOSA-N 293.289 0.155 0 50 CCAA CS(=O)(=O)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565512228 UHIMZWNVKDYUKS-RYUDHWBXSA-N 286.353 0.305 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1n[nH]c(OC)n1 277293767 JFLXHADRZQICEB-SFYZADRCSA-N 254.290 0.957 0 50 CCAA COCCO[C@H](C)c1nnc2n1C[C@H](C(=O)OC)CC2 601045516 VYEKLWPGLAEGJE-NXEZZACHSA-N 283.328 0.738 0 50 CCAA Cn1cc(C(=O)N[C@H]2CCN(C(N)=O)C2)c(C(C)(C)C)n1 408074635 UVZKARSEXGDBCZ-VIFPVBQESA-N 293.371 0.600 0 50 CCAA CNC(=O)N[C@@H]1CCN(CC[C@H]2CCCCO2)C1 408256505 LYYJDPDHPSOHSZ-VXGBXAGGSA-N 255.362 0.949 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1ccon1 643827191 ALIDGDLYJHMZSM-GFCCVEGCSA-N 253.302 0.402 0 50 CCAA Cc1cc(=NC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)cc[nH]1 656602934 UGZYRCDJZDLJGR-QMTHXVAHSA-N 291.307 0.377 0 50 CCAA C=CC(=O)N1CCN(c2nc(CC)ns2)CC1 791377402 SQSCRPWIDXNECS-UHFFFAOYSA-N 252.343 0.935 0 50 CCAA CN1CC[C@](C)(CN(C)C(=O)C2CCN(CCO)CC2)C1 1529146922 RMALPFOMLLUQOM-INIZCTEOSA-N 297.443 0.491 0 50 CCAA COc1c(C)cnc(CN2CC3(CNC(=O)N3C)C2)c1C 1857667650 HLEGIJWADHHQNN-UHFFFAOYSA-N 290.367 0.916 0 50 CCAA COc1ccc(C)nc1N1CCC[C@@](O)(CO)C1 1857671747 NVCNAZFBWKTDJE-ZDUSSCGKSA-N 252.314 0.722 0 50 CCAA CN1CCO[C@@H](CNC(=O)c2cc(Cl)ccn2)C1 110483896 XPZYNPWBJCTDJY-JTQLQIEISA-N 269.732 0.795 0 50 CCAA COCCN1CCCN([C@H](C(=O)O)C2CC2)CC1=O 635017918 WIDOGPNXZBVLGL-LBPRGKRZSA-N 270.329 0.030 0 50 CCAA CCO[C@H](C)C(=O)N1CCC[C@]1(COC)C(=O)O 643848961 PVKTXDYJYRUJME-SKDRFNHKSA-N 259.302 0.504 0 50 CCAA CCCN(CC(=O)O)C(=O)c1cn2cccnc2n1 541778259 VRBKCZFPPYTWPW-UHFFFAOYSA-N 262.269 0.666 0 50 CCAA COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)cc1C 1616122986 JFTQCXSHQHGNQU-QWRGUYRKSA-N 289.328 0.707 0 50 CCAA O=C(COC[C@@H]1CCCO1)NCc1[nH]nc2ncccc12 1772816097 HUTLWKMTRIVHHU-JTQLQIEISA-N 290.323 0.770 0 50 CCAA Cc1nc(CN2CCc3c(O)nc(=N)[nH]c3C2)cn1C 1857677847 ORSBWCRYSOBEDB-UHFFFAOYSA-N 274.328 0.195 0 50 CCAA Cc1ccc(C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)o1 331431636 WERZWFZSFHLZGA-CQSZACIVSA-N 290.323 0.847 0 50 CCAA CC(F)(F)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 820617141 SYDQIDSFJIVDAE-MNOVXSKESA-N 292.326 0.638 0 50 CCAA O=C(Cn1ncc2cccnc21)N1CCOC[C@@H]1CCO 821378199 JMQWXUYKNYZIPL-LBPRGKRZSA-N 290.323 0.041 0 50 CCAA c1nonc1CN1CC[C@H](n2cc(C3CC3)nn2)C1 931120019 COCHPNIFASLVLA-NSHDSACASA-N 260.301 0.986 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H]1CCc2c[nH]nc2C1 860028024 CXGMLHDFKMBILV-JTQLQIEISA-N 262.313 0.028 0 50 CCAA CN(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 307418 BODPUUHEIFCXBL-UHFFFAOYSA-N 298.364 0.409 0 50 CCAA C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NC[C@@](C)(O)CN(C)C 230178009 HQQGTCRYFWFNNO-SFDCQRBFSA-N 285.432 0.677 0 50 CCAA O=C1CC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C(=O)N1 282421686 IQSYCGKTOMYJEV-SFYZADRCSA-N 274.267 0.733 0 50 CCAA O=C(O)CC1(NC(=O)CCn2cnnc2)CCCCC1 534588196 ZWFRAKGIPQINRH-UHFFFAOYSA-N 280.328 0.962 0 50 CCAA Cn1nnnc1CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 337282059 JPBFKPRQVZAFSO-TUAOUCFPSA-N 265.361 0.726 0 50 CCAA CO[C@H]1C[C@@H](C(=O)O)N(C(=O)[C@H]2CC23CCC(=O)CC3)C1 2325812742 DKPZGERZCUVRFV-TUAOUCFPSA-N 295.335 0.836 0 50 CCAA COc1cc([C@H](N)CC(=O)O)ccc1OCC(N)=O 1235001 IXNFIEZDVQLKFQ-MRVPVSSYSA-N 268.269 0.034 0 50 CCAA Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)O)cc1 2993407 IWFPOZHYKHPTOW-SNVBAGLBSA-N 250.298 0.108 0 50 CCAA O=C1COc2ccc(S(=O)(=O)N3CCCC3)cc2N1 4520352 SPTCQXYPKJALBK-UHFFFAOYSA-N 282.321 0.802 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 4761937 GBVAMMGFBVZXEA-DRZSPHRISA-N 277.368 0.573 0 50 CCAA C[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)c1ccccc1 138804522 NKUKJCOICHKJFC-KKZNHRDASA-N 251.282 0.740 0 50 CCAA C[C@H]1CN(C[C@H]2CCCN2CC(=O)NC2CC2)C[C@@H](C)O1 229690809 UOPWRSSNPLZIBD-VNHYZAJKSA-N 295.427 0.839 0 50 CCAA O=C(c1ccc[nH]1)N1CCN(C[C@@H]2CCOC2)CC1 178080254 WDXDBQFKOYURDX-LBPRGKRZSA-N 263.341 0.809 0 50 CCAA Cc1cc(C)n(CC(=O)Nc2ccn([C@@H]3CCNC3)n2)n1 328629699 PCAWWRPUTNYFHF-GFCCVEGCSA-N 288.355 0.870 0 50 CCAA CNC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1ccnnc1C 332975368 KGHGZLHUCGRUHC-ONGXEEELSA-N 277.328 0.821 0 50 CCAA O=C(NS(=O)(=O)c1cnccn1)[C@@H]1C[C@H]1c1ccco1 152325101 YZUICWWWKJNERJ-RKDXNWHRSA-N 293.304 0.678 0 50 CCAA CC(=O)N[C@@H]1[C@@H](Nc2ncnc3[nH]cnc23)[C@H]2CCO[C@H]21 219949997 REESTMPCZDEJEV-PKIKSRDPSA-N 288.311 0.057 0 50 CCAA CC(=O)NC1CCN(C(=O)[C@H](C)Oc2cccnc2)CC1 605089031 WOYPWMSXBWMHHF-NSHDSACASA-N 291.351 0.976 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)NC1CN(C(C)=O)C1 336043981 SOWMTKQLRRLLEX-NWDGAFQWSA-N 254.330 0.539 0 50 CCAA CC1=C[C@H](C)CN(S(=O)(=O)[C@H](C)C(=O)N(C)C)C1 336290915 XTDDLLWCBMNOQY-GXSJLCMTSA-N 274.386 0.691 0 50 CCAA Cc1nc(C(=O)NCC(=O)O)nn1-c1ccc(F)cc1 342872266 PKBSTNBKQHOLDB-UHFFFAOYSA-N 278.243 0.529 0 50 CCAA CN(CC(=O)O)S(=O)(=O)CC12CCC(CC1)C2 262645607 IIPFXVXMNFLABM-UHFFFAOYSA-N 261.343 0.913 0 50 CCAA C[C@@H]1CN(C(=O)Nc2cccnn2)C[C@]2(CCOC2)O1 242048045 VSGQCELWCUKQOM-MFKMUULPSA-N 278.312 0.888 0 50 CCAA Cc1cccc(C)c1-n1nnnc1Cn1nnnc1C 131812209 YDCSMTWERGMLFZ-UHFFFAOYSA-N 270.300 0.622 0 50 CCAA O=C(NC[C@@H]1CCNC[C@H]1O)c1nc2ccccc2[nH]1 72151452 NHRZUEFYBYUOKZ-JOYOIKCWSA-N 274.324 0.263 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1O)c1cnc(C2CC2)nc1 223610834 SUEORYFSYIOGDF-GHMZBOCLSA-N 263.297 0.234 0 50 CCAA CN1CC[C@H](NS(=O)(=O)Cc2ccccc2)C1 48907771 RCUPNXSBBANEAN-LBPRGKRZSA-N 254.355 0.810 0 50 CCAA O=C(CCO)N[C@@H]1COCC[C@@H]1OCc1ccccc1 221277023 UHWBMMQVYYUICV-KGLIPLIRSA-N 279.336 0.859 0 50 CCAA Cc1ccccc1-n1cc(CN2C[C@@H](O)C[C@H]2CO)nn1 289804235 SODUGFYCLPTGTP-KBPBESRZSA-N 288.351 0.503 0 50 CCAA CN1C[C@H]2CN(Cc3cscn3)C[C@@]2(C(=O)O)C1 96140118 MUIOWFVZBDGUIK-CABZTGNLSA-N 267.354 0.591 0 50 CCAA CN(C)C[C@@]1(O)CCN(C(=O)c2ccc(C(=O)O)s2)C1 97499469 IJLAWZMPSOOVTA-ZDUSSCGKSA-N 298.364 0.585 0 50 CCAA CN(C)CCN(C)[C@@H](C(=O)O)c1ccc(N)nc1 95379816 QBSLJCPAEZUEOV-LLVKDONJSA-N 252.318 0.283 0 50 CCAA Cc1nc(CN2CCN(C(=O)C3(N)CC3)CC2)oc1C 237726874 XHVAPPRCFKNKCQ-UHFFFAOYSA-N 278.356 0.427 0 50 CCAA COCc1cc(CN(C)C(=O)CCN2CCCC2=O)n[nH]1 97413348 YVGYDMUTPYUEHD-UHFFFAOYSA-N 294.355 0.527 0 50 CCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN[C@@H](C)C1 237692609 HGQBVAVXTPXESK-ZETCQYMHSA-N 292.792 0.364 0 50 CCAA Cc1noc(C)c1CCC(=O)N[C@@H]1C=CS(=O)(=O)C1 97823410 USNGNSIIFLMGGY-SNVBAGLBSA-N 284.337 0.651 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3C4C5[C@]6(CC=CC[C@@]516)[C@@H]2[C@@H]43 248066550 WDYAGNOENDYYHH-VOOVANBESA-N 269.304 0.286 0 50 CCAA N[C@H]1CC[C@@H](CN2CCO[C@]3(CNCCOC3)C2)CC1 244691583 JFIXZGXGOBCKGX-QLFBSQMISA-N 283.416 0.195 0 50 CCAA CN1C(=O)N[C@@H]2CN(c3ccncc3C#N)CC[C@@H]21 299741170 DHFSMLSKFGVQQZ-PWSUYJOCSA-N 257.297 0.556 0 50 CCAA O=C(NCCOc1cccc(Cl)c1)[C@@H]1C[C@@H](O)CN1 299747471 DCOACMXEFFBNER-PWSUYJOCSA-N 284.743 0.558 0 50 CCAA Cc1cc(=O)cc(C(=O)N[C@H](c2ncnn2C)C(C)C)[nH]1 534673594 HINYROZRGVQHOJ-LBPRGKRZSA-N 289.339 0.939 0 50 CCAA CN1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O 264994298 RQANEXXHYBFIQO-STQMWFEESA-N 275.352 0.293 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1ccn(C(C)C)n1 290494318 RYPNEXWUPFRTLV-QWRGUYRKSA-N 253.302 0.608 0 50 CCAA CCCON1C(=O)C[C@@H](C(=O)OC)C12CCNCC2 299796518 QWULSMGIOZDHCJ-JTQLQIEISA-N 270.329 0.472 0 50 CCAA C[C@@H](CC(=O)O)NC(=O)c1cnn(CC2CC2)c1 630131468 HTOAYSGJHRHBMA-QMMMGPOBSA-N 251.286 0.886 0 50 CCAA CC[C@H](c1ccnn1C)n1cnc2nccnc2c1=O 584890884 CVAFMLIJRADBSC-SECBINFHSA-N 270.296 0.919 0 50 CCAA CCOC1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 584904074 WMGNPWXQVUJGDM-JTQLQIEISA-N 275.370 0.449 0 50 CCAA CN1CCC[C@@H](CCC(=O)N2CCN(C)C(=O)C2)C1 584888337 DZGCKTBZDXFNHN-LBPRGKRZSA-N 267.373 0.409 0 50 CCAA CN1C(=O)N(C)C2(CCN(C[C@@H]3CCOC3)CC2)C1=O 670463585 MLBVVZWUMFNTQW-NSHDSACASA-N 281.356 0.381 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)CCN1CCCCC1=O 670469601 OSYURNQJDYFHFV-RYUDHWBXSA-N 284.356 0.309 0 50 CCAA Cc1nonc1CNC(=O)N1CC[C@@H](N2CCCC2=O)C1 873283338 QVEZUAQUSMRAEB-SNVBAGLBSA-N 293.327 0.284 0 50 CCAA Cn1ccnc(N2CCC(c3ncccn3)CC2)c1=O 1548522653 BEJYIVNFCFYGBZ-UHFFFAOYSA-N 271.324 0.954 0 50 CCAA CC1(C)COC(=O)[C@H]1NC(=O)C[C@H]1C=C[C@@H](N)C1 1875315799 IALJAPLJOIJWJK-IQJOONFLSA-N 252.314 0.348 0 50 CCAA O=C(O)Cn1cc(C(=O)N[C@@H]2CCC=CCCC2)nn1 1875319256 VCIDXIOJKOJDTQ-SNVBAGLBSA-N 278.312 0.981 0 50 CCAA C[C@@H](O)CONC(=O)[C@H]1COc2ccccc2O1 1875396359 CTAUTLUYNHIVTI-LDYMZIIASA-N 253.254 0.255 0 50 CCAA CCn1nc(C)c(C(=O)N[C@@H](C)c2nn(C)cc2O)n1 1456792314 NGPPZPBPTOSCHO-ZETCQYMHSA-N 278.316 0.537 0 50 CCAA Cc1cn2c(n1)CC[C@H](C(=O)N(C)C[C@@H](O)C1CC1)C2 1875279694 OWPASVILVXOTKR-QWHCGFSZSA-N 277.368 0.983 0 50 CCAA CCn1cnc([C@H](N)C2(O)C[C@@H]3CC[C@H](C2)N3)c1 958528610 WIGRFYUHMKMQFG-OMLSGTGCSA-N 250.346 0.548 0 50 CCAA C[C@H](CN1CCOCC1)NCC(=O)NC(C)(C)C 49505271 YPOFSOMGKIEFKN-LLVKDONJSA-N 257.378 0.211 0 50 CCAA CCc1csc(N2CC3(C[C@H](O)CNC3=O)C2)n1 1354266316 KGRUMAMUOLTVEC-VIFPVBQESA-N 267.354 0.393 0 50 CCAA O=C(Cn1cccc1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1 1565516345 CDUIJOXUJDBYKE-UKMLZYKCSA-N 289.379 0.856 0 50 CCAA CC(C)(C)OC(=O)NCCOCCOCCOCCN 38957534 CUPBLDPRUBNAIE-UHFFFAOYSA-N 292.376 0.520 0 50 CCAA in-vitro COc1ccnc(CSc2n[nH]c(=O)n2C)c1OC 170613198 SCSLJCCEJZMRCK-UHFFFAOYSA-N 282.325 0.813 0 50 CCAA OC1(CNCc2cn(C[C@@H]3CCOC3)nn2)CCCC1 631068820 WNGNRIQUTAVABZ-LBPRGKRZSA-N 280.372 0.709 0 50 CCAA Cc1cc(N2CCN(C(=O)c3ccc(O)nc3)CC2)ncn1 679281141 HSQTWWGFNFEWTO-UHFFFAOYSA-N 299.334 0.848 0 50 CCAA CO[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)[C@](C)(CO)C1 634065863 CNKJKUUCPXWEHK-RBZYPMLTSA-N 294.355 0.223 0 50 CCAA C[C@@H]1CCOCCN1c1cncc(OCCO)n1 302519218 AQJUAPJFHQSXCV-SNVBAGLBSA-N 253.302 0.463 0 50 CCAA CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1)N1CCCC1=O 408053285 GOGMHYUXFLQTQC-WZRBSPASSA-N 295.383 0.213 0 50 CCAA COCc1cc(C(=O)N2CCO[C@H](C(=O)O)C2)ccc1F 408513464 RKRQVWWXSSLFNI-LBPRGKRZSA-N 297.282 0.898 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)Cn3cccc3)C[C@H]2O)on1 1704338486 CNNSPKGLCYTMQK-TZMCWYRMSA-N 289.335 0.847 0 50 CCAA CN(C(=O)c1cn(C)cn1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704304169 KVSSSPBXJUUTNR-OUAUKWLOSA-N 276.340 0.407 0 50 CCAA Cc1cc(COCC(=O)N[C@@H]2C[C@H](N)C23CCC3)no1 1615555759 XSMAPIXZEIFTCV-NWDGAFQWSA-N 279.340 0.886 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)c1cnn(CC(C)C)c1C 1615629109 GMAZURANWIGPIY-CHWSQXEVSA-N 280.372 0.564 0 50 CCAA COCC(=O)N[C@H]1CCCc2nc(N(C)C)ncc21 12112354 WBZBWLXKGPGWMB-JTQLQIEISA-N 264.329 0.683 0 50 CCAA OCCN1CCN(C2CCN(Cc3ccco3)CC2)CC1 19939077 QFDKQPZTYSWUAB-UHFFFAOYSA-N 293.411 0.854 0 50 CCAA Cc1cc(O)nc(SCC(=O)N2CC=CC2)n1 1857691180 YUTXUSYROQOURS-UHFFFAOYSA-N 251.311 0.981 0 50 CCAA COc1ccc(-c2nccn2Cc2nc(O)n[nH]2)cn1 1857695474 LALMFBZUVBTYGY-UHFFFAOYSA-N 272.268 0.826 0 50 CCAA CCn1cc(C(=O)N2CCC[C@@]2(COC)C(=O)NC)cn1 643950931 TYWMDAJSWZLAAW-CQSZACIVSA-N 294.355 0.270 0 50 CCAA C[C@H]1CN(C(=O)NCC(=O)N2CCOCC2)CC(C)(C)O1 408119484 JMENUCWBXWSOHF-NSHDSACASA-N 299.371 0.054 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cn(C(C)C)nn1 643765872 KZFVLRHXZXLZBM-AWEZNQCLSA-N 295.387 0.586 0 50 CCAA Cc1ccc(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)cn1 643995571 KIPCSGSICKWIOL-CQSZACIVSA-N 277.324 0.233 0 50 CCAA CCC(=O)N1CC[C@@H](C(=O)Nc2cccc(C(N)=O)n2)C1 134017424 IYKGWGCDXCYRHN-SECBINFHSA-N 290.323 0.378 0 50 CCAA Cc1ccccc1OCCCN(C)C(=O)[C@H]1C[C@H](O)CN1 253393021 VGFKVHIWNAONCJ-UONOGXRCSA-N 292.379 0.945 0 50 CCAA O=C(O)c1cccc(NC[C@H](CO)[C@@H]2CCOC2)n1 263383126 DAXWRRBDOLOGCP-NXEZZACHSA-N 266.297 0.837 0 50 CCAA C=CC(=O)NCCC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 163991178 HSRIIRYEDIMDHV-JTQLQIEISA-N 281.356 0.194 0 50 CCAA Cc1nc([C@@H]2CCCN(Cc3nnn(C)n3)C2)n[nH]1 278596018 LPDSBBORVCVNFQ-SECBINFHSA-N 262.321 0.016 0 50 CCAA CCc1cnc(N)nc1N1CC[C@@](O)(CN(C)C)C1 95387350 HHCCGRQBFSZREO-CYBMUJFWSA-N 265.361 0.124 0 50 CCAA O=C(NCCC1CCNCC1)[C@H]1CC[C@@H](C(=O)O)C1 703970682 AWOKOWGNXJUWIV-NWDGAFQWSA-N 268.357 0.993 0 50 CCAA CCC(=O)N[C@H](CC)CNC(=O)c1ccnc2[nH]cnc12 1430617276 RVXQDZVXACKKCP-SECBINFHSA-N 289.339 0.993 0 50 CCAA COc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1OC 403215 CDJLVVKXGZXTPW-JTQLQIEISA-N 267.281 0.836 0 50 CCAA Cn1nnnc1SCC(=O)NC1CCCCC1 421115 JYNNXRDUMVRCEY-UHFFFAOYSA-N 255.347 0.751 0 50 CCAA CCN(C#N)c1nc(OC)nc(N2CCOCC2)n1 6697613 JPBSSAADEVRQCG-UHFFFAOYSA-N 264.289 0.024 0 50 CCAA COc1ccnc(N2CCC(c3nc(=O)[nH][nH]3)CC2)n1 225534568 IYUTTZVWWIRCTK-UHFFFAOYSA-N 276.300 0.281 0 50 CCAA CCN(c1nc(C)nc2c1cnn2C)[C@@H]1CCNC1=O 225646325 GZPUJMCMWGULME-SNVBAGLBSA-N 274.328 0.387 0 50 CCAA NC(=O)[C@]1(O)CCN(C(=O)c2ccc(-n3cccc3)cc2)C1 319214930 QXZWHEKGMHQSPU-INIZCTEOSA-N 299.330 0.540 0 50 CCAA CN(C)c1ncc(NC(=O)c2nccnc2N)cn1 124788396 XNHMZTIGIAZDRB-UHFFFAOYSA-N 259.273 0.167 0 50 CCAA COC(=O)COCC(=O)N1CC[C@H](C)[C@@H](OC)C1 356889880 HJUXXXZYLHSRJE-UWVGGRQHSA-N 259.302 0.059 0 50 CCAA CO[C@H]1CCC[C@H](CC(=O)NCCc2nc(=N)[nH]o2)C1 331066526 QEUWWLOBHOFQIC-UWVGGRQHSA-N 282.344 0.736 0 50 CCAA C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCO2 331893321 ONGVKWZLOZYOIC-RKDXNWHRSA-N 285.321 0.559 0 50 CCAA CCc1nccc(CN2CCN(C(=O)N(C)C)CC2)n1 215836906 RAMGDFRHGKKUPU-UHFFFAOYSA-N 277.372 0.838 0 50 CCAA CN(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 34225974 GHHVGVBVWDYGJJ-UHFFFAOYSA-N 282.321 0.174 0 50 CCAA O=C1CCCN1C[C@@H](O)CN1CCOCC2(CCCC2)C1 372271228 AXCJOLNVXJTOSJ-AWEZNQCLSA-N 296.411 0.862 0 50 CCAA Cc1ncccc1O[C@H]1CCN(c2ccc(C(N)=O)nn2)C1 373626455 PUEBVSCHJCXSHU-NSHDSACASA-N 299.334 0.937 0 50 CCAA CC[C@@H](NC(=O)c1n[nH]c(N)n1)c1ncccc1C 71764257 MNEROKJCHMHEBI-MRVPVSSYSA-N 260.301 0.971 0 50 CCAA COc1cc(C(=O)NCCC(=O)O)cc2c1OCCO2 263195198 ZZJHNIPSCXYLMK-UHFFFAOYSA-N 281.264 0.671 0 50 CCAA C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N)C2)CCS1 335030903 ULADAMOVMLRVJV-GHMZBOCLSA-N 285.413 0.290 0 50 CCAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cncn2C)cn1 290129878 JNQZMTAMKWBHTP-WCQYABFASA-N 289.339 0.897 0 50 CCAA O=S(=O)(CCOc1ccccc1)NC[C@@H]1CCCN1 426427924 KACBMLHBMMAMHJ-LBPRGKRZSA-N 284.381 0.737 0 50 CCAA O=C(CN1CC[C@H](CO)[C@H](O)C1)Nc1ccc(Cl)cn1 514753661 HWFUCDXKPDVLGA-MWLCHTKSSA-N 299.758 0.349 0 50 CCAA CC(C)c1nc(CN2C[C@@H](CO)[C@H](CO)C2)co1 97813869 OMRPOFQNBIQHDV-QWRGUYRKSA-N 254.330 0.831 0 50 CCAA Cc1ccc(CNC(=O)N[C@@H]2CNC[C@H]2O)cc1C 426420122 OBOVSZDUSHKNJT-CHWSQXEVSA-N 263.341 0.435 0 50 CCAA CC(C)c1nc(CNC(=O)N(C)C)n(CC(=O)O)n1 97402371 VTPPCFFZTFXBGC-UHFFFAOYSA-N 269.305 0.257 0 50 CCAA N[C@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1C1CC1 91848268 BRCXIBBXBFSEQK-NEPJUHHUSA-N 263.345 0.254 0 50 CCAA Ic1cc(N2CCOCC2)ncn1 230531270 SEJSHWVKEQPOEX-UHFFFAOYSA-N 291.092 0.918 0 50 CCAA COc1ccc(CCCNC(=O)[C@@H]2C[C@H](O)CN2)cc1 299752255 TTXCULNRYFXUEA-JSGCOSHPSA-N 278.352 0.467 0 50 CCAA COc1ccc2c(c1)C[C@@H](C(=O)N(C)CC(=O)O)CO2 299753076 WSJHHVCMZOECSS-SNVBAGLBSA-N 279.292 0.789 0 50 CCAA Cc1ncc(CN2CCC(N(C)CCO)CC2)cn1 352043239 BJWTXWPUTNWYNA-UHFFFAOYSA-N 264.373 0.674 0 50 CCAA CN(CCn1ccnc1)C(=O)NCCc1ncc[nH]1 534662734 KBPACMBQQIYGJV-UHFFFAOYSA-N 262.317 0.490 0 50 CCAA O=C(CCn1cncn1)NCC1(Cn2cccn2)CC1 534637017 REFIEECVPDDJHT-UHFFFAOYSA-N 274.328 0.461 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)CN2CCCCCC2=O)C1 630250842 UWQXBOFPBJKVAF-AWEZNQCLSA-N 298.339 0.091 0 50 CCAA CN1CCN(CCn2cnc3cccnc3c2=O)CC1 584893901 MSAJXWJWLPOQMQ-UHFFFAOYSA-N 273.340 0.039 0 50 CCAA COc1ccc([C@@H](N)CC(=O)NCCO)cc1OC 584888407 CVJXTDDXAQBJPR-JTQLQIEISA-N 268.313 0.202 0 50 CCAA Cc1c(C(=O)N2CCN(C)[C@H](CCO)C2)ccn1C 584885596 MYAGGYODCGFXCW-GFCCVEGCSA-N 265.357 0.472 0 50 CCAA C=CC(=O)N(CC)CC(=O)NCc1cc(C2CC2)n(C)n1 885904705 ZFVHAJRXEIWNBC-UHFFFAOYSA-N 290.367 0.948 0 50 CCAA N[C@@H](CN1CCCCC1)C(=O)N1CC[C@]2(CCNC2)C1 888096413 FVHVOWUDEIYMJH-ZFWWWQNUSA-N 280.416 0.012 0 50 CCAA COc1cc(B(O)OC(C)(C)C(C)(C)O)ccc1N 169980316 RVZZNLOPACJHPW-UHFFFAOYSA-N 267.134 0.531 0 50 CCAA CCn1cc(CC(=O)N[C@@H]2C[C@H](N)C23CCC3)cn1 1514665124 REVIPQYTACVNFU-NWDGAFQWSA-N 262.357 0.832 0 50 CCAA C[C@@H](CO)CN[C@H](C)c1cccc(S(N)(=O)=O)c1 86627984 CTKJGCBKFCDSKI-NXEZZACHSA-N 272.370 0.613 0 50 CCAA Cn1cc(Cl)c(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)n1 1074549696 RGITYYWAGYKXNV-NBEYISGCSA-N 255.705 0.981 0 50 CCAA CCN(CC)C(=O)[C@H](NC(=O)C(=O)O)c1ccccc1 170596107 VCQYVDKQRFUENO-LLVKDONJSA-N 278.308 0.797 0 50 CCAA COc1cc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)ncn1 643719327 ZYIDLZUEVFQAPZ-CQSZACIVSA-N 294.355 0.295 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1ccncc1F 643765952 VISABIDLHOOAII-CQSZACIVSA-N 281.331 0.948 0 50 CCAA CC[C@H](N)C(=O)N(C)[C@@H]1CCC[C@H]1S(C)(=O)=O 195542471 SMCDQNMHHHNXJG-IVZWLZJFSA-N 262.375 0.148 0 50 CCAA CC1(C)NC(=O)CC[C@@H]1NC(=O)CCc1cnc[nH]1 670147856 HJBYJMJAIBDWNI-JTQLQIEISA-N 264.329 0.516 0 50 CCAA O=C(Cn1ncnn1)NCc1ccc(F)cc1Cl 1857704629 AACVFEJRATXPRD-UHFFFAOYSA-N 269.667 0.782 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCc2cc[nH]n2)CC[C@@H]1O 1704315470 GAXLJPGWVVDIOE-DVVUODLYSA-N 253.302 0.202 0 50 CCAA Cc1ccoc1C(=O)N1CCOC[C@@H]1CC(=O)O 128216661 KGFMAIKPCYAEBE-VIFPVBQESA-N 253.254 0.904 0 50 CCAA CC[C@@H](C)NC(=O)CN1C[C@H](N(C)C)C2(CCOCC2)C1 1615614659 IHXOKGRFLMBONR-KGLIPLIRSA-N 297.443 0.944 0 50 CCAA O=C(c1cnc2ccccc2n1)N1C[C@H](O)[C@@H](F)C1 1615701643 DKXDKXWOZZZBMP-UFBFGSQYSA-N 261.256 0.785 0 50 CCAA CN(C1CCCC1)S(=O)(=O)N[C@@H](CO)c1ccccn1 1616036344 JQXDQZIHJSMGTM-ZDUSSCGKSA-N 299.396 0.824 0 50 CCAA COC(=O)c1cncc(N2CCN3CCCC[C@H]3C2)n1 250446193 CXKVYGCJYGQRMP-NSHDSACASA-N 276.340 0.938 0 50 CCAA Cc1cc(C[C@H](C)NC(=O)CN2CCOCC2)n[nH]1 155329958 DTWSFULRMGMVRU-JTQLQIEISA-N 266.345 0.098 0 50 CCAA CC(C)(C)[C@@H]1CN(C(=O)[C@H]2CCCN2C=O)CCO1 408522771 DDZBONZQTUHSCE-NEPJUHHUSA-N 268.357 0.881 0 50 CCAA Cc1noc([C@H]2CCN(C(=O)N=c3cc(C)n(C)[nH]3)C2)n1 328984742 SZIVOSGKIWCKBE-JTQLQIEISA-N 290.327 0.863 0 50 CCAA NC(=O)c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)s1 332251305 SNHRMABIBUNEEW-ZETCQYMHSA-N 291.336 0.183 0 50 CCAA CC(C)Nc1cc(N2CC[C@@H](CO)[C@@H](O)C2)ncn1 248036402 ZGXSRWWULZBMEN-QWRGUYRKSA-N 266.345 0.476 0 50 CCAA CS(=O)(=O)c1ccc(N2CCN(C3CC3)C(=O)C2)nc1 672230460 PRAMFORKQSRAHP-UHFFFAOYSA-N 295.364 0.296 0 50 CCAA C[C@@H]1OCCN(C(=O)CNc2ccccc2C(N)=O)[C@H]1C 253407728 INCVTVBDYQOYPZ-QWRGUYRKSA-N 291.351 0.833 0 50 CCAA COCCC1(C(=O)N2CCC3(CC2)CNC(=O)C3)CC1 1649726421 CQQYYRPAGZUGNC-UHFFFAOYSA-N 280.368 0.932 0 50 CCAA O=C(NCc1cnn(CCF)c1)c1ccc(O)cn1 1652961995 QXXRZZCGNSDTDC-UHFFFAOYSA-N 264.260 0.883 0 50 CCAA CC[C@@H](C(=O)N1CCCNC(=O)[C@H]1CC)N1CCCC1=O 906449176 OQNUFPOBNATZOY-NEPJUHHUSA-N 295.383 0.515 0 50 CCAA CCC(=O)N1CCCN(C(=O)[C@H](N)C(C)(C)C)CC1 123405301 DFMWQAILGICBBK-LBPRGKRZSA-N 269.389 0.831 0 50 CCAA Nc1ccnc(N2CCC(N3CCCC3=O)CC2)n1 71749428 MJANOYRJHNBXOG-UHFFFAOYSA-N 261.329 0.650 0 50 CCAA Cc1ccc(S(=O)(=O)NCC(F)(F)CO)o1 330962387 ADRDYXKHQKIYHO-UHFFFAOYSA-N 255.242 0.494 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2ccc3nn[nH]c3c2)C1 331935556 WPMPALFGVSHGQN-ZDUSSCGKSA-N 260.297 0.945 0 50 CCAA C[C@@H]1CN(C(=O)c2ccnc3[nH]c(O)nc23)CCO1 900048661 HZXBKRVXTGQUNC-SSDOTTSWSA-N 262.269 0.524 0 50 CCAA O=C(CN1C(=O)c2ccccc2C1=O)NC[C@H]1CCCO1 29093 GDBCSTGEWOLDRB-SNVBAGLBSA-N 288.303 0.578 0 50 CCAA COC(=O)[C@H](CN)NC(=O)OCc1ccccc1 2585979 GPGOWAJADCIVNB-JTQLQIEISA-N 252.270 0.413 0 50 CCAA in-vitro COC[C@@]12COC[C@@H]1CN(Cc1nc(C(=O)OC)co1)C2 2356161565 ADXVHRXAOSTIDW-HZMBPMFUSA-N 296.323 0.556 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)Nc2ccon2)cs1 6681552 XRCCHXVPUNUDPS-UHFFFAOYSA-N 287.322 0.897 0 50 CCAA COC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 6701548 NVDHONAJRRGQLW-SECBINFHSA-N 286.353 0.407 0 50 CCAA O=C(CCc1cccnc1)NC1(C(=O)O)CCOCC1 131747591 UQRMYARBBKJDKE-UHFFFAOYSA-N 278.308 0.764 0 50 CCAA O=C1C[C@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1 100783879 IZSDOALUQLXXEU-AWEZNQCLSA-N 287.363 0.656 0 50 CCAA CC(C)[C@@H](C)n1nccc1NC(=O)c1cc(=O)[nH]c(=O)[nH]1 55576436 DPUGQFHSXUPYMT-MRVPVSSYSA-N 291.311 0.729 0 50 CCAA CN(Cc1ccccc1)c1cnn(C[C@H](O)CO)c(=O)c1 72140252 HUCZEYWYYFHRNY-AWEZNQCLSA-N 289.335 0.233 0 50 CCAA COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 169028 QSNFIHUMOVLUQU-WDEREUQCSA-N 267.256 0.574 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](N2C(=O)[C@H]3CCCN3C2=O)CC1=O 253432954 QDJVRCMZBRSFDN-YTWAJWBKSA-N 277.324 0.422 0 50 CCAA COCc1nn(Cc2ncnn2CC(C)C)c(=O)o1 332647618 LQBVCFDZYGRGLS-UHFFFAOYSA-N 267.289 0.279 0 50 CCAA CCCN(C(=O)c1cncc(O)c1)[C@H]1CC(=O)N(C)C1=O 282759411 HZLQWYOPPNALCN-NSHDSACASA-N 291.307 0.397 0 50 CCAA CCn1nncc1C(=O)N(CCOC)[C@H]1CCO[C@@H]1C 329039026 ZRVCEWSEMNATFO-MNOVXSKESA-N 282.344 0.564 0 50 CCAA O=C(COC[C@@H]1CCOC1)N1CC(O)(C2CC2)C1 365026876 MUJWBLPSLNYGNP-SNVBAGLBSA-N 255.314 0.023 0 50 CCAA CC(C)CN1CCN(C(=O)CCn2cncn2)[C@H](C)C1=O 77439104 CADRJJIZIAEZKB-GFCCVEGCSA-N 293.371 0.384 0 50 CCAA COCCN1CCN(C(=O)NC2CC(C)C2)CC1=O 332430630 IXQYOCIBRXJDDZ-UHFFFAOYSA-N 269.345 0.285 0 50 CCAA CCN1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 72431801 ZQCUGGWRDQGKKN-CYBMUJFWSA-N 293.415 0.847 0 50 CCAA CO[C@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@H]1OC 372839714 OJRDJVSFHCQQMJ-BETUJISGSA-N 298.383 0.114 0 50 CCAA CCOC(=O)CNc1nc(COC)nc2c1cnn2C 72128913 SGEFXVHQEQIUPA-UHFFFAOYSA-N 279.300 0.485 0 50 CCAA CC(C)c1cc(C(=O)N2CCNC[C@@H](CC(=O)O)C2)n[nH]1 71749674 FTGRHUWPVRHERI-SNVBAGLBSA-N 294.355 0.669 0 50 CCAA C[C@@H]1CC[S@@](=O)CCN1CC(=O)NC[C@@H]1CCCO1 375929003 BORHFYWCTORLOG-UYSIFFEZSA-N 288.413 0.125 0 50 CCAA O=C(NCCC1(O)CCOCC1)N1CCN2CCC1CC2 376507948 QWXMWHORDSVZQV-UHFFFAOYSA-N 297.399 0.408 0 50 CCAA COCCN(Cc1cnn(C)c1)C(=O)[C@H]1CCCCO1 215921693 OBYFUJUJURIHMD-CYBMUJFWSA-N 281.356 0.964 0 50 CCAA O=C(COC[C@@H]1CCCCO1)NCCc1cn[nH]c1 216133252 RRMOZEGRPOGFAQ-LBPRGKRZSA-N 267.329 0.654 0 50 CCAA CCN1CCC(CNC(=O)N2CC[C@H](CO)C2)CC1 606977036 QRVVOJCIQIQRRB-ZDUSSCGKSA-N 269.389 0.742 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)CCc3cnn(C)c3)[C@@H]2C1 285658115 GHYJHWLNQUOLNP-KGLIPLIRSA-N 292.383 0.284 0 50 CCAA Cc1nc(CNC(=O)CNC(=O)N(C)C)sc1C 223470439 NVHBOHQVBFOZEK-UHFFFAOYSA-N 270.358 0.647 0 50 CCAA CC(C)(C)OC(=O)N1CCC(NS(C)(=O)=O)CC1 49442883 CTMKJUUQPKWNPB-UHFFFAOYSA-N 278.374 0.935 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1cccc(-n2cccn2)n1 263345690 TZOUCQGDNAYFED-AOOOYVTPSA-N 286.291 0.860 0 50 CCAA O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(Cn2cccn2)o1 82121102 IBCOYWWVZLHHJP-QWRGUYRKSA-N 292.314 0.954 0 50 CCAA CC(C)S(=O)(=O)N1CCn2nc([C@H](O)C3CC3)cc2C1 220609712 KXKPLGXDCXVTPU-CYBMUJFWSA-N 299.396 0.880 0 50 CCAA CN(Cc1ncon1)C(=O)[C@@H](CO)c1ccccc1 613285418 MIIHCGCRWCRTSJ-NSHDSACASA-N 261.281 0.804 0 50 CCAA CC(=O)NCC[C@H]1CCCCN1C(=O)c1cnc[nH]1 221180526 DWKLNAZJPSFAMZ-LLVKDONJSA-N 264.329 0.931 0 50 CCAA C[C@@H](O)[C@H]1CN(C(=O)c2nc[nH]c3nccc2-3)CCO1 616322262 DMXVMPKQEJNAEG-PSASIEDQSA-N 276.296 0.131 0 50 CCAA CN(C)c1nccc(CNC(=O)CC[C@H]2CCCNC2)n1 621659919 VRKNLZOQEWSYRE-GFCCVEGCSA-N 291.399 0.939 0 50 CCAA CC(C)n1ccc(C(=O)N[C@@H](C)c2nc(N)n[nH]2)n1 426486001 SFDYMMGWDNCZIR-ZETCQYMHSA-N 263.305 0.655 0 50 CCAA COC1(CNC(=O)N2CCS(=O)(=O)C[C@H]2C)CCC1 181580293 DCPOWYLJNDCFKJ-SNVBAGLBSA-N 290.385 0.384 0 50 CCAA Cc1cc(=O)[nH]c(NCCn2cc([C@@H]3CCOC3)nn2)n1 91986307 OTCUMWRWDPEVAQ-SNVBAGLBSA-N 290.327 0.286 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H](n2ccnn2)[C@H](N)C1 141927786 ULZNGNSUUVUKGF-BDAKNGLRSA-N 253.306 0.397 0 50 CCAA CC1(C)[C@H]2CC=C(CCNC(=O)Cn3nnnc3N)[C@@H]1C2 244873244 WMKXYSXZGHFNQI-QWRGUYRKSA-N 290.371 0.754 0 50 CCAA CCOC[C@@H]1CN(C(=O)NC[C@H]2CCCO2)CCO1 624149720 UJELARFWLKUSLQ-NEPJUHHUSA-N 272.345 0.612 0 50 CCAA C[C@@H](C(=O)Nc1nnc(C2CCC2)s1)n1cnnn1 604419032 NIAPDWCAXPLVQN-LURJTMIESA-N 279.329 0.992 0 50 CCAA Cc1cnn([C@H](C)CNS(=O)(=O)c2cn(C)cn2)c1 534633532 RTIXZHZKZJSQBE-SNVBAGLBSA-N 283.357 0.465 0 50 CCAA O=S(=O)(NC[C@@H]1CCCN1)c1ccc2nc[nH]c2c1 534650455 COUJFWCPEXEXAJ-VIFPVBQESA-N 280.353 0.593 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CCNCC1 534632405 MNOUZLHMUTZYGL-UHFFFAOYSA-N 258.347 0.058 0 50 CCAA O=C(CCCN1CCCCC1=O)NCCc1ncc[nH]1 534656024 QFLFUSARUYLKOE-UHFFFAOYSA-N 278.356 0.861 0 50 CCAA Cc1cccc(=O)n1CCC(=O)NC[C@H]1CCOC1 534632996 STWUKGXGDPXCLI-GFCCVEGCSA-N 264.325 0.700 0 50 CCAA O=C(O)[C@H]1C[C@H]1C(=O)NCCCOC1CCOCC1 262366078 FDNBLHUKLPFDJY-MNOVXSKESA-N 271.313 0.409 0 50 CCAA CC[C@H](NC(=O)CCn1cc(C)cn1)c1ncnn1C 534652485 YYMWEURFTAQHLT-NSHDSACASA-N 276.344 0.978 0 50 CCAA CN1C[C@H]2CN(C(=O)[C@H](O)C3CCCCC3)C[C@H]2C1 365507627 NBYUTQFJXZLORX-HZSPNIEDSA-N 266.385 0.948 0 50 CCAA Cc1nnc(NC2CCN(CC(N)=O)CC2)c2ccccc12 386930780 OGAXSXRGBHHPFX-UHFFFAOYSA-N 299.378 1.300 0 50 CCAA COC(=O)c1snc(C(N)=O)c1-n1cccc1 1775973081 JCTZLKYTGQBWNG-UHFFFAOYSA-N 251.267 0.819 0 50 CCAA CN(C)C1=NC2(CCN([C@@H]3CCCOC3)CC2)C(=O)N1 823652369 FEQGKKYZEGKZIA-LLVKDONJSA-N 280.372 0.047 0 50 CCAA COc1ccc(C[C@@H]2NC(=O)C3(CC3)NC2=O)cc1 824673642 IRLQXWPOJTWWFS-NSHDSACASA-N 260.293 0.385 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NC2CCN(CCO)CC2)n1 670468913 VUTHZTUHCFKHQP-CYBMUJFWSA-N 280.416 0.935 0 50 CCAA O=C(Cc1cccnc1)NCCCn1ccccc1=O 670461938 BSGISPIZTUWCSI-UHFFFAOYSA-N 271.320 0.992 0 50 CCAA CCNC(=O)[C@H]1CCN(C(=O)c2c(C)ncn2C)C1 670467079 JVHSBVPRVYVFAX-JTQLQIEISA-N 264.329 0.327 0 50 CCAA CCNCC1CCC(C(=O)N[C@H](C)C(=O)O)CC1 1875272302 ZXKCYHNZKYVELU-KPPDAEKUSA-N 256.346 0.992 0 50 CCAA O=C(NC(C1CC1)C1CC1)c1cnc2ncnn2c1O 1875335404 HFWXPKKMSMHXLU-UHFFFAOYSA-N 273.296 0.748 0 50 CCAA Cc1cccc(S(=O)(=O)N[C@@H]2CN3CC[C@H]2C3)c1 1875321312 CVPJKVHXZPXEHM-WCQYABFASA-N 266.366 0.977 0 50 CCAA O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1ccnnc1 1875327078 YTMPHQYRTUGGHB-UHFFFAOYSA-N 299.265 0.964 0 50 CCAA CC(C)[C@@H]1C(=O)N(C)CCN1S(=O)(=O)N1CCCC1 952992037 YJGVLQRTPVZWSV-LLVKDONJSA-N 289.401 0.126 0 50 CCAA CN(C)C(=O)CCS(=O)(=O)c1cccc(O)c1 888093169 HRIYYIGTDFOEQL-UHFFFAOYSA-N 257.311 0.644 0 50 CCAA C=CS(=O)(=O)CCN1CCNC(=O)[C@@H]1C(C)C 1775994371 CXEHZQPFBZNAKY-JTQLQIEISA-N 260.359 0.001 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)c1ccc3c(c1)OCCNC3)C2 1775961327 RHWATZFAEYGSEG-BBRMVZONSA-N 287.363 0.732 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC[C@@H](CN2CCCC2=O)C1 1335315049 PJKMYVIDABYPIG-LBPRGKRZSA-N 293.367 0.102 0 50 CCAA COC(=O)Cn1cc(I)cn1 54957037 JOZSDZHLLBZDCB-UHFFFAOYSA-N 266.038 0.661 0 50 CCAA in-vitro Cc1ccc(CC(=O)NC[C@H]2CCNC[C@@H]2O)cc1F 1565510438 IDOZCBNYONBXBG-OCCSQVGLSA-N 280.343 0.763 0 50 CCAA CC(C)C[C@@]1(C(=O)N2CC(OC(F)F)C2)CCNC1=O 632669995 YYRKVYQHZFRDKL-ZDUSSCGKSA-N 290.310 0.989 0 50 CCAA Cc1o[nH]c(=N)c1S(=O)(=O)NC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1 408499265 LRSBLDQYLBXMSE-DJLDLDEBSA-N 299.352 0.637 0 50 CCAA CC[C@H]1CN(C(=O)Cn2cccc(C)c2=O)CCO1 171368771 YQGJCGVWQANCIB-LBPRGKRZSA-N 264.325 0.794 0 50 CCAA O=C(O)c1cnc(N2CCN(C(=O)CO)CC2)c(Cl)c1 647451937 MAWFVJQWCRXRDC-UHFFFAOYSA-N 299.714 0.074 0 50 CCAA O=C(O)CN1CC[C@@H](n2cnc3sccc3c2=O)C1=O 663218795 HSNJWDJBVVAZAH-MRVPVSSYSA-N 293.304 0.316 0 50 CCAA CCN1C[C@H](S(=O)(=O)NCC2(CC)CC2)CC1=O 583651026 FJPMQJVHYBPLAB-SNVBAGLBSA-N 274.386 0.717 0 50 CCAA CC(C)(C)[C@H]1CS(=O)(=O)CCN1C(=O)C(F)F 585124480 FHIKSYDGCDMUNL-SSDOTTSWSA-N 269.313 0.923 0 50 CCAA CN(C)C[C@]1(CO)CCCN(CCc2nccn2C)C1 1506425748 DESYZQPFCJVXJG-OAHLLOKOSA-N 280.416 0.599 0 50 CCAA O=C(N=c1ccc(C(F)(F)F)n[nH]1)N1CCOCC1 408350655 UHZIUUFSHXBGKS-UHFFFAOYSA-N 276.218 0.781 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CC(F)(F)C[C@@H]1CO 907587333 DIDWUMLOQVMMTF-SECBINFHSA-N 276.283 0.249 0 50 CCAA CC(C)c1cnc(N2CC[C@H](O)[C@@H](C(=O)O)C2)nc1 1704344205 QZWJUJHIFUNRTF-QWRGUYRKSA-N 265.313 0.872 0 50 CCAA Cn1cc(N2C[C@H](NC(=O)C[C@H]3CCCO3)CC2=O)cn1 1615586429 NBCUDLRBDHOGOO-ZYHUDNBSSA-N 292.339 0.211 0 50 CCAA CCn1cc(CC(=O)N2C[C@H](N)C3(CCC3)C2)cn1 1614617177 MAFQWSZPXHBZAC-LBPRGKRZSA-N 262.357 0.785 0 50 CCAA Cc1[nH]nc(CN2CCC([C@H](O)CO)CC2)c1Cl 1772704176 PJLNVKSXRAHNAC-LLVKDONJSA-N 273.764 0.937 0 50 CCAA CC(C)N1C[C@@H](CN2CCN(CCO)CC2)CCC1=O 1772813794 UPPDPKJUOYJFBB-CQSZACIVSA-N 283.416 0.243 0 50 CCAA COc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(N)=O 12381503 LWKNVGFYNYLEIH-UHFFFAOYSA-N 286.353 0.871 0 50 CCAA Cc1cc(=O)[nH]c(N2CCN(c3ccccn3)CC2)n1 18247536 RWQQPRAMEIWOOG-UHFFFAOYSA-N 271.324 0.800 0 50 CCAA O=C(NCC1(CO)CCOCC1)c1n[nH]c2c1CCC2 151503272 VTOSBFRYBFKPLV-UHFFFAOYSA-N 279.340 0.417 0 50 CCAA Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnc(C)[nH]1 328613582 SLDMSDYDNVYSJU-SECBINFHSA-N 296.356 0.431 0 50 CCAA O=C(O)[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 16764678 IGIBFPXNDOCTPT-GFCCVEGCSA-N 265.265 0.873 0 50 CCAA CCCCNC(=O)[C@H](C)N1CC[C@@](O)(Cn2ccnn2)C1 585081586 SWEIXEUKSCLNTN-JSGCOSHPSA-N 295.387 0.020 0 50 CCAA CCn1nnc(C)c1CNc1n[nH]cc1C(=O)N(C)C 902659124 HTGRXYZDLLWZNA-UHFFFAOYSA-N 277.332 0.643 0 50 CCAA COCc1cccc(CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3N2)c1 912350309 FLHTWJLEYMEVCT-KKUMJFAQSA-N 290.363 0.969 0 50 CCAA CC(C)OCCC(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 818526098 XOSUACWLGPBNOY-MJBXVCDLSA-N 284.400 0.905 0 50 CCAA Cc1ccnc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 644710847 BDGRBISCTGSDIT-CYBMUJFWSA-N 283.397 0.856 0 50 CCAA Cc1cnc(NCC2(S(N)(=O)=O)CCC2)nc1C 721561312 RYDZNDNIPVNSGH-UHFFFAOYSA-N 270.358 0.717 0 50 CCAA CN1CCO[C@@]2(CCN(Cc3ccn4ncnc4c3)C2)C1 2356163871 VHWIPHGUMIBBBC-HNNXBMFYSA-N 287.367 0.636 0 50 CCAA O=C(C[C@H]1NCCNC1=O)Nc1ccc(Cl)cc1 4702797 XPNVOBZGOBTUNQ-SNVBAGLBSA-N 267.716 0.757 0 50 CCAA Cc1nsc(NC(=O)NC[C@H]2COCCO2)n1 55369249 AZVXVVOZXGXBCC-ZETCQYMHSA-N 258.303 0.383 0 50 CCAA O=C(NC1CC1)c1cc2n(n1)CCN(Cc1c[nH]cn1)C2 67770304 IGAJWKWJMGVHMQ-UHFFFAOYSA-N 286.339 0.514 0 50 CCAA CN(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O 22606515 XPYOLJJQZBQGOO-UHFFFAOYSA-N 278.280 0.795 0 50 CCAA O=C(NCC(F)(F)F)c1cn(C[C@@H]2CCCNC2)nn1 65405287 FNXNYXDXTUMDGT-MRVPVSSYSA-N 291.277 0.570 0 50 CCAA Cc1ccn2ncc(C(=O)N3CCNC[C@H]3C)c2n1 125050038 OILGIGCGURKGFM-SNVBAGLBSA-N 259.313 0.472 0 50 CCAA CS(=O)(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 178920487 DZYPKRFLPSFOGM-SNVBAGLBSA-N 280.353 0.868 0 50 CCAA Cc1ccccc1CN(CCN(C)C)C[C@@H](O)CO 63870490 UJRMOOOGXQRYHB-OAHLLOKOSA-N 266.385 0.712 0 50 CCAA Cn1nnnc1CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 253395468 UAALGZHJGULPKF-BXKDBHETSA-N 295.293 0.796 0 50 CCAA Cc1ccccc1C(=O)NS(=O)(=O)c1cnccn1 152340252 KKKNEUOMJHWVPC-UHFFFAOYSA-N 277.305 0.904 0 50 CCAA CN(C)C[C@@]1(O)CCN(C(=O)CCOc2ccccc2)C1 72164490 TYEXAODADOQOHN-INIZCTEOSA-N 292.379 0.981 0 50 CCAA CN(CC(=O)N1CCOCC1)C[C@H]1CCc2nccn2C1 328650994 VSDZESHIHPLCCE-CYBMUJFWSA-N 292.383 0.236 0 50 CCAA CCOCCCC(=O)N1CCCN(CC(=O)N(C)C)CC1 361899939 MBSUBXWWVRIJDS-UHFFFAOYSA-N 299.415 0.426 0 50 CCAA CCSc1ncc(CN2CC[C@H](O)[C@@H](O)C2)cn1 215012098 VRAFACPBMMULIH-QWRGUYRKSA-N 269.370 0.516 0 50 CCAA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccnn1C 156231543 XGVLPBYQCNQVBF-GFCCVEGCSA-N 280.372 0.603 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)/C=C/c2cncc(O)c2)C1 368490515 OOHNUQYICHTFLP-XTGUKYSCSA-N 278.308 0.409 0 50 CCAA CCc1ncc(NC(=O)[C@H]2CN(CC)CCO2)cn1 127086706 WOWMJEZINLCNBV-LLVKDONJSA-N 264.329 0.698 0 50 CCAA O=C1CC[C@@H](NC(=O)[C@@H]2CCc3cccnc32)C(=O)N1 332813773 ZWCMOFGBHZHJPY-NXEZZACHSA-N 273.292 0.033 0 50 CCAA CCC1=NO[C@H](C(=O)NCCn2c(C)cc(C)nc2=O)C1 71440425 IGBZFRNOHCMRLR-LBPRGKRZSA-N 292.339 0.531 0 50 CCAA COCc1cccc(CC(=O)N2CCOC[C@H]2C(=O)O)c1 263119309 KJHKRWFQKKDOAV-ZDUSSCGKSA-N 293.319 0.688 0 50 CCAA Cc1csc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c1 336261518 KVHDXNRNVFPCQN-SECBINFHSA-N 288.394 0.956 0 50 CCAA C[C@H]1CN(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)C[C@@H](C)O1 239762050 CKPRMOJIZPHQIN-WRWGMCAJSA-N 292.401 0.498 0 50 CCAA CN(C1CCC(N)CC1)S(=O)(=O)c1cnc2n1CCC2 240412885 FONJYSKHQFZFKJ-UHFFFAOYSA-N 298.412 0.720 0 50 CCAA CCN(Cc1noc(C2CC2)n1)C(=O)N[C@H](C)C(=O)O 426411270 HXTMSSDJBGUNEL-SSDOTTSWSA-N 282.300 0.952 0 50 CCAA CS(=O)(=O)CCN1C[C@@H](C(=O)O)[C@H](C2CC2)C1 91304246 JPXLRRKIFZAZMM-VHSXEESVSA-N 261.343 0.074 0 50 CCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cn2ccsc2n1 91934954 WBBWVLCIINREBG-ZETCQYMHSA-N 283.334 0.436 0 50 CCAA Cc1cccc([C@H](C(=O)NCC(=O)NC2CC2)N(C)C)c1 91650542 DOTSFRUSQIMULI-OAHLLOKOSA-N 289.379 0.993 0 50 CCAA Cc1cc(C(=O)NC2CCOCC2)c(=O)[nH]c1C 91645572 TWNKIKUJWHRBSE-UHFFFAOYSA-N 250.298 0.901 0 50 CCAA CCc1cc(NC[C@H](O)CN2CCCC2)ncn1 95371406 CDOLQPKSQBOSST-LBPRGKRZSA-N 250.346 0.908 0 50 CCAA O=C(CCCn1cnnn1)N1CC[C@]2(O)CCCC[C@@H]2C1 524732577 BNHSPMKUKPKZFR-TZMCWYRMSA-N 293.371 0.607 0 50 CCAA CCc1nccn1CC(=O)N1Cc2nnc(C)n2[C@@H](C)C1 97137832 JLQMECLECFANLX-JTQLQIEISA-N 288.355 0.949 0 50 CCAA CNC(=O)[C@H]1CN(C(=O)c2cscc2C)CCO1 183528122 XRIVQHPZCHVMGX-SNVBAGLBSA-N 268.338 0.644 0 50 CCAA COC(=O)c1cc(O)cc(C(=O)N2CCC[C@H](N)C2)c1 534632429 JOGKFCXTBWNPSQ-NSHDSACASA-N 278.308 0.742 0 50 CCAA OC[C@@H]1CN(CCOCc2ccccc2)C[C@H]1CO 625707425 TYYNVBMZSTXLBV-GJZGRUSLSA-N 265.353 0.736 0 50 CCAA CCc1nc(CN2CCN3C(=O)OC[C@H]3C2)n[nH]1 372180538 QHWPYNIRMFSCRK-MRVPVSSYSA-N 251.290 0.004 0 50 CCAA Cn1cncc1-c1nc(CC(N)=O)nn1C(C)(C)C 826842451 TUUUMPMCXUCLBZ-UHFFFAOYSA-N 262.317 0.461 0 50 CCAA Cc1[nH]nc(CCC(=O)N2CCN(C)[C@@H](CCO)C2)c1C 584893207 MXEQEWVZCNZVFS-ZDUSSCGKSA-N 294.399 0.484 0 50 CCAA CC(=O)c1ncc(C(=O)NCc2nonc2C)s1 584893490 JFLZIQPJWRTGQZ-UHFFFAOYSA-N 266.282 0.967 0 50 CCAA CCCN1C[C@@H](n2cnc3cccnc3c2=O)CC1=O 584895037 PQFHSUYGRXPXAP-JTQLQIEISA-N 272.308 0.975 0 50 CCAA CCO[C@H]1C[C@@H](N(C)C(=O)C2(N)CC(O)C2)C1(C)C 952882465 FTLPFPQQBIIQDK-PYUIQPRZSA-N 270.373 0.501 0 50 CCAA CCOC[C@@H]1CCCN1C(=O)CCS(C)(=O)=O 952869921 QHTJQWRXBVLQBP-JTQLQIEISA-N 263.359 0.449 0 50 CCAA O=C(CN1CCCCCC1)NC1(C(=O)O)CCOCC1 952871898 FYXTZVCKVBZTOC-UHFFFAOYSA-N 284.356 0.612 0 50 CCAA C[C@@H]1Cc2cc(S(=O)(=O)NCc3cnon3)ccc2O1 1776006181 RYTQEQQPAUCLKG-MRVPVSSYSA-N 295.320 0.872 0 50 CCAA COc1nscc1S(=O)(=O)NCc1cc(C)no1 1363764330 FPESTJWIEAUPBL-UHFFFAOYSA-N 289.338 0.927 0 50 CCAA OC[C@H]1CN(c2nc(C3CC3)nc3[nH]ccc23)C[C@@H]1O 631305302 CIUADMANICBEBH-KOLCDFICSA-N 274.324 0.625 0 50 CCAA O=C(NC[C@H]1CCCO1)c1ccnc(C(=O)O)c1 168891019 LOIHGEOJRNLXQO-SECBINFHSA-N 250.254 0.689 0 50 CCAA CCC1(NS(=O)(=O)c2c(C)cnn2C)CCOCC1 408072823 UFLYCHYGXKICHW-UHFFFAOYSA-N 287.385 0.966 0 50 CCAA C[C@H](O)[C@H]1CCN(C(=O)CN2CCCCC2=O)C1 408162256 VCELJRHDWQPXNM-QWRGUYRKSA-N 254.330 0.228 0 50 CCAA CN(C)CC1(C(=O)N[C@H]2CCN(C)C2=O)CCCCC1 408304461 BEAHQWNFNDAKHF-LBPRGKRZSA-N 281.400 0.845 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cc(OC)ccn1 643827463 GJAKSOQVHOMSOI-OAHLLOKOSA-N 293.367 0.817 0 50 CCAA CS(=O)(=O)CCN1C(=O)C[C@@H](Cc2ccccc2)C1=O 191399597 LQBKRHTVWFVLPS-GFCCVEGCSA-N 295.360 0.649 0 50 CCAA Cc1cc(C)nc(N2CC[C@](O)(Cn3ccnn3)C2)n1 671465912 AIYUIEVHSDTWIV-CYBMUJFWSA-N 274.328 0.326 0 50 CCAA COC(=O)C1(Cn2cc3c(n2)CCCNC3=O)CC1 585122853 CAWHXNNFRXGGOF-UHFFFAOYSA-N 263.297 0.512 0 50 CCAA CCN(C[C@H]1CCCCO1)C(=O)CCCS(N)(=O)=O 1506419440 CBWQHHNQHMQOIM-LLVKDONJSA-N 292.401 0.473 0 50 CCAA CC(C)CN1CCN(c2cncc(C(=O)O)n2)[C@H](C)C1=O 1529089984 DHWCOAPXOUBKFD-SNVBAGLBSA-N 292.339 0.868 0 50 CCAA COCc1cncc(C(=O)NC[C@H](C)C(=O)O)c1 659134123 RZAVBCUYHDAXHX-QMMMGPOBSA-N 252.270 0.679 0 50 CCAA CCC1CCN(S(=O)(=O)NC2CC3(C2)C[C@@H]3N)CC1 1615059138 WDADPWLKVQMAJL-CPCZMJQVSA-N 287.429 0.823 0 50 CCAA CC(C)(C)OC(=O)C1CCN(CC2=NC[C@@H](O)CN2)CC1 1616037568 APCDXEVSGIBVOE-UHFFFAOYSA-N 297.399 0.403 0 50 CCAA C[C@](O)(CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C(F)(F)F 367924259 JDCGMWURDOEQAJ-CKEKPRIKSA-N 297.273 0.467 0 50 CCAA OC[C@@]12CNC[C@H]1CN(CCc1ccc(O)cc1)C2 1772710711 NYUUBRMVMGWOCP-ZFWWWQNUSA-N 262.353 0.448 0 50 CCAA Cc1cccc(=O)n1CCCN1C(=O)C[C@H]2NCC[C@H]21 1857702854 QZVRLUCZLPRZOV-CHWSQXEVSA-N 275.352 0.510 0 50 CCAA Cc1nc(N2CCC(S(N)(=O)=O)CC2)c2[nH]ccc2n1 1857707133 FYIAVWUJVIEFMX-UHFFFAOYSA-N 295.368 0.524 0 50 CCAA COCCn1cncc1CN1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857729806 TUTXZTVZRXITNY-SNPRPXQTSA-N 295.383 0.501 0 50 CCAA C[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C[C@@H]1n1ccnc1 330981391 VQBBAYXPMPMVLU-NEPJUHHUSA-N 299.396 0.727 0 50 CCAA O=C1COc2c(cccc2C(=O)N2CCn3nccc32)N1 585081559 LFQOTXBWLMPLNO-UHFFFAOYSA-N 284.275 0.874 0 50 CCAA O=S(=O)(N[C@@H]1CCOC[C@H]1O)c1ccccc1Cl 222343787 MXBYKWUDYUMRIC-NXEZZACHSA-N 291.756 0.768 0 50 CCAA Cc1nc(CC(=O)N2CCOC[C@@H](C(=O)O)C2)cs1 700412151 JDHJBOZMKUYUJY-VIFPVBQESA-N 284.337 0.554 0 50 CCAA CN(CC(=O)O)[C@H]1CN(Cc2ccccc2)C[C@H]1O 328604126 IOZNKABUEGULME-QWHCGFSZSA-N 264.325 0.248 0 50 CCAA O=C(NC[C@H]1CC[C@H](CO)CC1)C1CCNCC1 534654350 DVLOGDZRSFFQFD-HAQNSBGRSA-N 254.374 0.901 0 50 CCAA Cn1cnc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)c1 864146166 UWEWQCIVELMTQX-JTQLQIEISA-N 281.312 0.277 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)c1cc(F)ccc1C 213789944 ZHJZFRHGNNFMHZ-VXGBXAGGSA-N 252.289 0.851 0 50 CCAA CN(C)[C@H]1C[C@H](C(=O)N2CCCC[C@H]2Cn2ccnn2)C1 2325784543 RDTKYNHFXCRKCX-IHRRRGAJSA-N 291.399 0.999 0 50 CCAA Cn1cc(C(=O)NCC(=O)C2CC2)c([C@@H]2CCCO2)n1 2325790173 VSJQTNDKMJFLKQ-LBPRGKRZSA-N 277.324 0.981 0 50 CCAA Cc1cc(C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)on1 2325817952 ITNKKOFCBYEMAX-NSHDSACASA-N 277.324 0.825 0 50 CCAA COC(=O)CN[C@@H]1CC(=O)N(c2ccccc2)C1=O 100416 JCVSLSAFAIQADW-SNVBAGLBSA-N 262.265 0.081 0 50 CCAA CNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1 565048 BAJHRJNVBJBLHO-UHFFFAOYSA-N 286.353 0.370 0 50 CCAA CS(=O)(=O)N(CC(=O)O)Cc1ccc(F)cc1 1743896 YBJUMXHTBKJGDI-UHFFFAOYSA-N 261.274 0.672 0 50 CCAA CCOC(=O)CNC(=O)Cc1cccc(OC)c1OC 2167622 CMBUEBIIWXKZLA-UHFFFAOYSA-N 281.308 0.926 0 50 CCAA CC(=O)N[C@]1(C(F)(F)F)N=C2SCCN2C1=O 2869331 ZMLYHQIDLGMHLG-ZETCQYMHSA-N 267.232 0.326 0 50 CCAA O=C(CCc1nc(O)n[nH]1)N1CCO[C@H](C(F)(F)F)C1 2356155163 ZVNZOWFRKBUQEV-LURJTMIESA-N 294.233 0.233 0 50 CCAA O=C(O)CCCC[C@@H]1SC[C@@]2(O)NC(=O)N[C@@H]12 4005943 QLLAHFUXOLMFNJ-HKPALBBZSA-N 260.315 0.117 0 50 CCAA CC(C)CNc1nc(SCC(N)=O)nc(N(C)C)n1 4868023 YERLCIBJVZNVRR-UHFFFAOYSA-N 284.389 0.583 0 50 CCAA Cn1cnnc1SCC(=O)NC[C@@H]1CCCCO1 20863084 NZAGDBHTNSCDNH-VIFPVBQESA-N 270.358 0.593 0 50 CCAA CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ncnn1C 150996601 MUDGYEPSFDABCV-LBPRGKRZSA-N 285.307 0.731 0 50 CCAA NC(=O)NCCC(=O)N1CCN(C2CCCC2)CC1 120256353 XCSNGOWPNQVHAV-UHFFFAOYSA-N 268.361 0.132 0 50 CCAA CN(C)c1cnc(C(=O)N2CCCc3n[nH]cc32)cn1 333276631 IRQGDCIREBDXRT-UHFFFAOYSA-N 272.312 0.859 0 50 CCAA O=C(NCc1cnc2cnccn12)c1ccc2n[nH]nc2c1 215112766 PCWPZJZDEOAMIH-UHFFFAOYSA-N 293.290 0.931 0 50 CCAA Cc1cc(=O)[nH]c(NCCNc2nccnc2C)n1 32592943 ZAXKIQOIEYXEEI-UHFFFAOYSA-N 260.301 0.701 0 50 CCAA O=C1CCCN1[C@@H]1CCCN(CCCn2cc[nH]c2=O)C1 71730241 RTNMWAHHVXLOQU-CYBMUJFWSA-N 292.383 0.653 0 50 CCAA NC(=O)[C@@H](Cc1ccccc1)NC(=O)CC[C@H]1CCNC1 261874926 RRQAWIXSZQSZOT-UONOGXRCSA-N 289.379 0.589 0 50 CCAA CSc1ncc(C(=O)NC[C@@H]2CCOC2)cn1 219903075 HHDOXZDJMKCRIX-QMMMGPOBSA-N 253.327 0.965 0 50 CCAA NC(=O)NCC(=O)N1CCCC[C@H]1CCn1cccn1 77420957 RMTLZXJCSTVTMS-NSHDSACASA-N 279.344 0.323 0 50 CCAA O=C(CN1CCC[C@H](c2ccncc2)C1)N1CCNC1=O 451005596 YMNFOMOODBEFRN-ZDUSSCGKSA-N 288.351 0.813 0 50 CCAA CC[C@@H](C)N1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 336288975 ZAMKBHZZTWIFRO-NEPJUHHUSA-N 282.388 0.472 0 50 CCAA COC(=O)COCC(=O)N1CCC([C@@H]2CCOC2)CC1 376960151 GLNCCEGOHUGFEF-GFCCVEGCSA-N 285.340 0.451 0 50 CCAA O=C(O)c1cccc(NS(=O)(=O)NC2CC2)c1 131441576 OLGYEYLENRIIHX-UHFFFAOYSA-N 256.283 0.794 0 50 CCAA O=C(C[C@H]1CCCOC1)NCCCn1ccnn1 193800174 AYBWMYKPCQHUQP-LLVKDONJSA-N 252.318 0.601 0 50 CCAA Nc1cc(O)nc(CCNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)n1 426599612 NQWGIRHIHAONIX-ILPMLJPZSA-N 288.351 0.715 0 50 CCAA C=CC(=O)NCCNC(=O)[C@@H]1CCCCN1C(=O)CC 264597342 CJDKRYVGUCALNI-NSHDSACASA-N 281.356 0.196 0 50 CCAA CN(C)Cc1nc(C(=O)N[C@@H]2CCOC[C@H]2O)cs1 223007200 VWHJQAOQQXXNOR-PSASIEDQSA-N 285.369 0.084 0 50 CCAA Cc1cccc(=O)n1CCCNC(=O)[C@H]1CC(=O)N(C)C1 426574974 GVETXLOESORLBM-LBPRGKRZSA-N 291.351 0.141 0 50 CCAA COCCc1nc(CNC(=O)[C@H](C)n2ccnc2C)no1 426401597 BNSCKMJZPUROSV-VIFPVBQESA-N 293.327 0.641 0 50 CCAA Cc1nc(C)c(CN2CCOCS2(=O)=O)s1 91325318 MIZSOTZNCVLYOB-UHFFFAOYSA-N 262.356 0.879 0 50 CCAA CN(CCn1cccn1)C(=O)[C@H]1CSC(C)(C)C(=O)N1 97515141 ZRPDPJVVKKBGHI-SNVBAGLBSA-N 296.396 0.352 0 50 CCAA CCN(Cc1nc(COC)no1)C(=O)C[C@H]1CCOC1 426717044 WFUCBIQRISZZAO-SNVBAGLBSA-N 283.328 0.991 0 50 CCAA CN1CCC[C@@H]1CCNC(=O)c1cccn(C)c1=O 97272557 CRWARHISKIXNFE-LLVKDONJSA-N 263.341 0.599 0 50 CCAA O=C1CCCN1CCCn1cc([C@@H]2CCOC2)nn1 91665020 RSOGXDWYDBGERS-LLVKDONJSA-N 264.329 0.795 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H]2CNC[C@]2(C(=O)O)C1 238111641 ZSVSNUDKCSHAQF-RNCFNFMXSA-N 270.329 0.918 0 50 CCAA COCc1nc2n(n1)C[C@@H](NC(=O)c1cncs1)CC2 268227705 RQHBWUJDWWUGFF-QMMMGPOBSA-N 293.352 0.626 0 50 CCAA Cc1noc(CN2CC[C@]3(CCCN(CCO)C3=O)C2)n1 91738589 BAVFWSNHBBKVIJ-CQSZACIVSA-N 294.355 0.185 0 50 CCAA C[C@H]1CCC[C@@H](C)N1CCNC(=O)c1cnn[nH]1 341057222 JRSWNRWKCQQGJC-AOOOYVTPSA-N 251.334 0.797 0 50 CCAA COCCN1C[C@H](Cc2ncc(C)c(N(C)C)n2)CC1=O 244574954 CUGJZTZXVVISRG-GFCCVEGCSA-N 292.383 0.888 0 50 CCAA Nc1ncccc1CNC(=O)COC[C@@H]1CCCO1 244659508 HDXYQSXNCUGAHO-NSHDSACASA-N 265.313 0.476 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCC2(CCOCC2)CC1 347356159 RERLSEHMDWOKIS-UHFFFAOYSA-N 289.397 0.840 0 50 CCAA N#Cc1cc(CN2CCC([C@H](O)C(N)=O)CC2)ccc1F 299747472 DCQPZIDATFGLCE-AWEZNQCLSA-N 291.326 0.756 0 50 CCAA O=C(NCCOc1cccc(Cl)c1)[C@@H]1C[C@H](O)CN1 299747470 DCOACMXEFFBNER-JQWIXIFHSA-N 284.743 0.558 0 50 CCAA COCCc1noc(CNC(=O)C[C@@H]2CCCOC2)n1 534676875 XHFKKRVFCCZUGL-JTQLQIEISA-N 283.328 0.691 0 50 CCAA Cc1nn(CCC(=O)NCCn2ccnn2)c(C)c1C 534660513 VMTTYDZRWOAULR-UHFFFAOYSA-N 276.344 0.606 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)CCC(=O)O 534633077 IKNPKNZEIAKGBE-QMMMGPOBSA-N 254.290 0.730 0 50 CCAA CN1C[C@@H](NC(=O)c2cnn3ccn(C)c23)CCC1=O 584886865 LLMBTCMFFUTHTE-VIFPVBQESA-N 275.312 0.023 0 50 CCAA COc1nc(N2CCn3nc([C@@H](C)O)cc3C2)ncc1F 824845463 QDLPUMUCMADPTJ-MRVPVSSYSA-N 293.302 0.894 0 50 CCAA CC[C@H]1CN(C(=O)c2c(C)ncn2C)CCN1C 584904220 FYSXTZOVTYLGRW-NSHDSACASA-N 250.346 0.895 0 50 CCAA CC(=O)N1CCN(Cc2cnccc2Cl)C[C@@H](O)C1 670464653 NMBSJHQEBARZNJ-GFCCVEGCSA-N 283.759 0.760 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)Nc1cnc2ccccn12 1875401688 OXZDCURDCUXFOQ-NXEZZACHSA-N 260.297 0.243 0 50 CCAA CN(C)C[C@@H]1COC2(CCCC2)CN1Cc1cnn(C)n1 877871113 KWOLELVEAGTXTI-CQSZACIVSA-N 293.415 0.890 0 50 CCAA Cc1cc(NC(=O)NC[C@@H]2CCN(C)C2=O)on1 1875271322 HZMJZGGUKDHHOI-QMMMGPOBSA-N 252.274 0.583 0 50 CCAA COc1ccc(S(=O)(=O)Cc2ccn(C)c(=O)c2)nn1 1875281882 CGWFBPYUSUWAEC-UHFFFAOYSA-N 295.320 0.158 0 50 CCAA O=C(c1[nH]nc2ncnc(O)c12)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 1875395189 QHKOVSZCPXKKQD-AATLWQCWSA-N 297.318 0.953 0 50 CCAA CN[C@@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)C1 133545862 JRKNQEWIBRPUBM-GFCCVEGCSA-N 262.357 0.972 0 50 CCAA C=CC(=O)NCCNC(=O)c1cn(CC)nc1C 1348156902 MRRDOLCZQDSAEI-UHFFFAOYSA-N 250.302 0.243 0 50 CCAA CC(C)[C@H](N)C(=O)N1CCC[C@H](Cn2cncn2)C1 168574487 PLSPERTUPZHVTI-RYUDHWBXSA-N 265.361 0.500 0 50 CCAA CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(C)=O 675861057 CEILDPXROWGRKC-NWDGAFQWSA-N 276.402 0.961 0 50 CCAA CCOc1cnc(C(=O)N2CCC[C@H](NC(C)=O)C2)cn1 186836442 COBPXQPDEJJJRN-NSHDSACASA-N 292.339 0.616 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C)C(=O)C1 408474104 DZODYPGNOXOKRE-RYUDHWBXSA-N 268.357 0.882 0 50 CCAA CCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)CCCN)cn1 644066119 HFDXLWIETIUETM-QWHCGFSZSA-N 280.372 0.788 0 50 CCAA Cc1cccnc1N1C[C@H](O)[C@@H](N2CCN(C)CC2)C1 1506407887 SRKJCCVHIGFYMQ-KBPBESRZSA-N 276.384 0.187 0 50 CCAA O=C(CO)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1857733863 BZSVYYOLPZKKQY-AAEUAGOBSA-N 285.727 0.593 0 50 CCAA COc1cccc([C@H](NC(=O)CCC(=O)O)C(=O)O)c1 1607330911 AJJXTLCYXFHHTQ-LBPRGKRZSA-N 281.264 0.802 0 50 CCAA Cc1nc(O)cc(CNc2nccnc2N(C)C)n1 1704300741 YYWJTJNYPAANLQ-UHFFFAOYSA-N 260.301 0.959 0 50 CCAA Cc1noc([C@H]2C[C@@H](O)CN2c2nc(C)ns2)n1 408384595 FVURIFHKPAWKPH-HTQZYQBOSA-N 267.314 0.850 0 50 CCAA NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccncc1 1615615283 OCSUURFDTWPCEK-XQHKEYJVSA-N 273.336 0.955 0 50 CCAA Cc1cc(C(=O)Nc2cncnc2N(C)C)n(C)n1 150707531 IXBOIMKOOSUJAK-UHFFFAOYSA-N 260.301 0.837 0 50 CCAA O=C1NC2(CCN(C[C@H]3CCCNC3)CC2)CO1 496725646 ZEGYKCJEKZCXRL-NSHDSACASA-N 253.346 0.560 0 50 CCAA O=C(Cn1nc2ccccc2n1)N1CCC[C@@H]1C1(O)CC1 1775979975 QOAWKLOMHJEOFR-CYBMUJFWSA-N 286.335 0.947 0 50 CCAA C/C(=C\c1ccccc1)c1nnc2[nH]c(=O)n(C)c(=O)c2n1 13282709 LDLBOGOPWGZJON-CMDGGOBGSA-N 295.302 0.972 0 50 CCAA O=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccc(F)c(F)c1 16625942 CATARTWNQOBCHT-GFCCVEGCSA-N 296.273 0.929 0 50 CCAA COc1ccc(CCN/C=C2\CC(=O)NC2=O)cc1OC 18033203 KLZWWCNLRRWIIW-PKNBQFBNSA-N 290.319 0.766 0 50 CCAA CC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2cc3n([nH]2)CCC3)C1 1857527447 LCNUJNXJIDEPRY-HZMBPMFUSA-N 274.324 0.058 0 50 CCAA C[C@@H](CCO)NC(=O)c1[nH]c(=N)ccc1Br 1857694512 CTDJKOPUTFNUHI-LURJTMIESA-N 288.145 0.757 0 50 CCAA CCCc1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)n[nH]1 1857724715 OHQIAIDVHYVIIX-DRZSPHRISA-N 292.383 0.954 0 50 CCAA O=C(NCc1cn2ccncc2n1)[C@@H]1CCn2nccc2C1 1875247110 XMCDWUYAPZPTEI-LLVKDONJSA-N 296.334 0.805 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)c1ccc(O)c(F)c1)C2 1875249479 VKVYGRAFBKQNTB-ZJUUUORDSA-N 294.282 0.118 0 50 CCAA C[C@H]1CNCCN1C(=O)CCOc1ccc(C(N)=O)cc1 126265119 NOFCVMIYKSAPKX-NSHDSACASA-N 291.351 0.375 0 50 CCAA COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC(=O)NC1CC1 248786417 CQEACCCYZUAHMJ-GAFUQQFSSA-N 266.341 0.539 0 50 CCAA CC(C)(C)[C@@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O 252513390 ZLYMSKADXJDYOA-NXEZZACHSA-N 276.344 0.753 0 50 CCAA CN1CCC[C@]2(CO)CCN(c3ccnc(N)n3)C[C@@H]12 1704299841 LCARRDCDCLFTSI-BXUZGUMPSA-N 277.372 0.342 0 50 CCAA CCn1nc(C)c(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)n1 824370697 NXSCJCLSYIXZIV-JSGCOSHPSA-N 293.415 0.901 0 50 CCAA CN1C[C@@]2(C)CN(CC(=O)Nc3ccon3)C[C@]2(C)C1 931304525 OMWWMCIAHUKUCN-KBPBESRZSA-N 278.356 0.887 0 50 CCAA CN(Cc1cn(C)nn1)C(=O)[C@@]12CCCC[C@@H]1NCC2 1578500607 HLFJLUYNPDDNTP-GXTWGEPZSA-N 277.372 0.696 0 50 CCAA CC1=CCN(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)CC1 122265859 HFSANRXXORTUKF-NSHDSACASA-N 278.312 0.767 0 50 CCAA C[C@@H]1CN(Cc2nnc(C3CC3)n2C)CC[C@H]1O 407949571 RKIAFNXFMSHHPX-MWLCHTKSSA-N 250.346 0.895 0 50 CCAA O=C(c1ccc2[nH]nnc2c1)N1CCOC[C@H](CO)C1 77425109 MGKYASZSFAHBRU-VIFPVBQESA-N 276.296 0.039 0 50 CCAA CC1(C)CCC[C@@]1(O)CNS(=O)(=O)C1COC1 328785128 VZCQCTHZHREEAK-LLVKDONJSA-N 263.359 0.246 0 50 CCAA Cc1n[nH]cc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2(N)C1 622015023 OTWIVFWGDQDRKY-GXSJLCMTSA-N 270.358 0.220 0 50 CCAA COC[C@]1(C(=O)NCc2[nH]cnc2C)CCCN1 649347894 LKARVZZAYQJCSF-LBPRGKRZSA-N 252.318 0.103 0 50 CCAA Cc1cc(C(=O)N=c2cnn(C(C)C)[nH]2)cc(O)n1 2100555548 WGFBGYHNTUIMRK-UHFFFAOYSA-N 261.285 0.942 0 50 CCAA CC(C)(N)[C@@H](O)C(=O)NCCOCCOc1ccccc1 2325800782 FJFCXYHANJYTIB-ZDUSSCGKSA-N 296.367 0.296 0 50 CCAA O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCCO1 29094 GDBCSTGEWOLDRB-JTQLQIEISA-N 288.303 0.578 0 50 CCAA CCNC(=O)c1ccc(N2C[C@@H](F)C[C@H]2CO)nc1 344083916 CSXMWJGPFNKQQM-QWRGUYRKSA-N 267.304 0.740 0 50 CCAA OCC[C@H]1CN(CCO)CCN1Cc1ccc(F)cc1 20538982 WSMBXLXLBSGIPB-HNNXBMFYSA-N 282.359 0.687 0 50 CCAA Cc1cccc(NC(=O)CCn2ccc(=O)[nH]c2=O)c1 170576395 CUVKEVUWZAOVMQ-UHFFFAOYSA-N 273.292 0.874 0 50 CCAA COC(=O)CN1CCC(N[C@H]2CCSC2)CC1 65525930 FZMNGLGJXRWJGP-NSHDSACASA-N 258.387 0.719 0 50 CCAA C[C@@H](CN1CCCCC1)NC(=O)Cc1ccn[nH]1 121143577 AKYUIMFIWOOPNP-NSHDSACASA-N 250.346 0.943 0 50 CCAA Cc1ccnc(CNC(=O)C2(S(C)(=O)=O)CC2)c1 357384532 ZBZHQWCKDOVNFN-UHFFFAOYSA-N 268.338 0.583 0 50 CCAA CCNC(=O)N1CC[C@H](NC(=O)c2cccnc2S)C1 154052621 SKIJUQCBPQGNEE-VIFPVBQESA-N 294.380 0.904 0 50 CCAA C[C@H](NC(=O)CS(C)(=O)=O)c1nc(C(C)(C)C)no1 330929475 NIUFBOONDWNZEM-ZETCQYMHSA-N 289.357 0.589 0 50 CCAA O=C(CCNC(=O)C1(C(=O)O)CC1)N1CCCCCC1 154841894 HMOOYSURTRPRKT-UHFFFAOYSA-N 282.340 0.760 0 50 CCAA O=C(N1CCCC1)[C@@]1(O)CCCN(Cc2ncc[nH]2)C1 331385907 KMHZEZPVZSOCSQ-CQSZACIVSA-N 278.356 0.359 0 50 CCAA COc1cc(C)nc(N2CC(N3CCN=C3O)C2)n1 329719437 BHXGLIAGHVWNKT-UHFFFAOYSA-N 263.301 0.212 0 50 CCAA O[C@@]1(Cn2ccnn2)CCCN(c2cnccn2)C1 284843141 WXJIFYMNCRXMQU-LBPRGKRZSA-N 260.301 0.100 0 50 CCAA C[C@]1(CN2CCO[C@@H](Cn3cccn3)C2)CCNC1 261979074 JBOAEILGLMLVTP-KGLIPLIRSA-N 264.373 0.584 0 50 CCAA CN1CCN(c2cncc3nncn23)C[C@@H]1c1nccn1C 373679106 DNLPIBZTRXBZDD-LLVKDONJSA-N 298.354 0.351 0 50 CCAA O=C(O)CCCCCN1C(=O)c2nccnc2C1=O 72323974 MLMMSDHTCKDTNO-UHFFFAOYSA-N 263.253 0.718 0 50 CCAA CC(=O)NCC(=O)N1CCC[C@@H]1Cn1ccnc1 332692387 VQZXHSREHIXXLN-LLVKDONJSA-N 250.302 0.010 0 50 CCAA CN1CCC[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1=O 332607752 OYPJSWQLXPIGRM-CYBMUJFWSA-N 299.330 0.879 0 50 CCAA Cc1ccc(=O)n(Cc2nsc(N(C)C)n2)n1 132333222 HRMCSTCVYBSBIL-UHFFFAOYSA-N 251.315 0.518 0 50 CCAA N=c1[nH]c(C2CC2)ncc1C(=O)N1C[C@@H](O)C2(CC2)C1 377336586 XARFTJXACNUBJI-SNVBAGLBSA-N 274.324 0.363 0 50 CCAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H]2CN)C1 131696346 HJMNGJBSZOETBC-GRYCIOLGSA-N 275.418 0.632 0 50 CCAA CCc1oncc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(C)=O 223381470 OMOYSZNADINCKD-GHORINQJSA-N 293.323 0.259 0 50 CCAA O=C([C@@H]1COCCO1)N1CCN(Cc2cccnc2)CC1 47953950 FAAAALLZLBTXSG-AWEZNQCLSA-N 291.351 0.141 0 50 CCAA CCc1nccn1C[C@@H](C)NCCN1CCNCC1 426530937 RRQUQXLXYGZXJZ-CYBMUJFWSA-N 265.405 0.329 0 50 CCAA CCn1cnnc1CCn1cc([C@H]2CCCNC2)nn1 95367772 HSVCTWASUFHSOG-NSHDSACASA-N 275.360 0.599 0 50 CCAA C[C@H]1[C@@H](C)OCCN1C(=O)Nc1ccc(C(N)=O)nc1 180596545 OWOHWAAFZCIXLA-DTWKUNHWSA-N 278.312 0.822 0 50 CCAA CCN1C[C@H](C(=O)N(C)CCCc2nccn2C)CC1=O 91893365 KFULBJBVBUOXCI-GFCCVEGCSA-N 292.383 0.680 0 50 CCAA CCCc1cc(C(=O)N(CC)[C@H]2COC[C@@H]2O)[nH]n1 91966170 TZQRIXCXRDWEML-RYUDHWBXSA-N 267.329 0.584 0 50 CCAA CCOc1cncc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 299743193 MLZWTVSYBBMHDT-ZJUUUORDSA-N 277.328 0.478 0 50 CCAA NCc1nnc(SC[C@H](O)CO)n1Cc1ccccc1 534668500 OTTCPIFFDODYRG-LLVKDONJSA-N 294.380 0.230 0 50 CCAA CCc1noc(CN(CC)C(=O)NCc2nc(N)n[nH]2)n1 534633468 YSTFSWTZGUNKRH-UHFFFAOYSA-N 294.319 0.064 0 50 CCAA O=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1cnn[nH]1 534590831 CIADVHGPESJPNF-GFCCVEGCSA-N 286.339 0.594 0 50 CCAA CC(C)N1C[C@@H](C(=O)NCCn2ccnn2)CCC1=O 299797007 PEBOOSXGAITIAT-NSHDSACASA-N 279.344 0.041 0 50 CCAA CCc1noc([C@@H](C)NC(=O)CNC(=O)N(C)C)n1 823569311 FSTQQDSOUKUNMS-SSDOTTSWSA-N 269.305 0.080 0 50 CCAA C[C@@]1(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCCNC1 584884610 YNLVVBLWAKNPCL-SNVBAGLBSA-N 291.277 0.829 0 50 CCAA CC(=O)N1CCC[C@H](Nc2cc(O)nc(N)n2)C1 584904027 ARPMJTDINQSTMD-QMMMGPOBSA-N 251.290 0.187 0 50 CCAA CC1(C)C[C@H](O)CCN(C(=O)Cn2ccccc2=O)C1 670448700 VZOLZLHYRWWYJR-GFCCVEGCSA-N 278.352 0.858 0 50 CCAA CCn1cc(CNC(=O)[C@H](F)C(F)(F)F)c(O)nc1=O 1548772307 REIHZRHDHMIWDV-LURJTMIESA-N 297.208 0.485 0 50 CCAA Cn1ncc2c(O)nc(CNC(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)nc21 1875297446 QMBBWFKQEUMGRZ-BRPSZJMVSA-N 287.323 0.731 0 50 CCAA CC[C@@H](NC(=O)c1c[nH]nc1-c1ccn(C)n1)[C@H](C)O 1875301312 KALHJSFBGGQNKM-WCBMZHEXSA-N 277.328 0.699 0 50 CCAA C[C@@H]1CN(CCn2cc([C@@H](O)C3CC3)nn2)C[C@@H](C)O1 952882089 PFDLPWMIZZLFKY-GYSYKLTISA-N 280.372 0.831 0 50 CCAA Cc1cc(C)n(C2CN(C(=O)[C@@H](C)Cn3cncn3)C2)n1 952963095 HQVDIHYSGDMHEI-JTQLQIEISA-N 288.355 0.811 0 50 CCAA NS(=O)(=O)C[C@@H]1CC[C@H](Nc2ncncc2Cl)C1 1775286417 OTPUKVXETHSCGY-SFYZADRCSA-N 290.776 0.999 0 50 CCAA COCCn1nnc2c1C[C@@H](c1nc(C)no1)CC2 1775960540 QQIMGWHBGKYSIW-VIFPVBQESA-N 263.301 0.888 0 50 CCAA Cn1nncc1C(=O)NC(C)(C)[C@@H](O)C(F)(F)F 1339123131 LPAIUFITFNNUIZ-SSDOTTSWSA-N 266.223 0.247 0 50 CCAA COc1nc(NC[C@H]2CCNC[C@@H]2O)ncc1F 1565513172 LGIORRMLKNRQIJ-APPZFPTMSA-N 256.281 0.007 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 249653606 YXEOHPZNMAUYOL-HGCLJGPKSA-N 298.364 0.681 0 50 CCAA COc1nn(C)cc1CNC(=O)C1(C(=O)O)CC=CC1 1594160962 GZKKFSNUPPFEEJ-UHFFFAOYSA-N 279.296 0.466 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1ncn(CC(=O)NC)n1 277033059 OBSOUHMEOIBMLH-VHSXEESVSA-N 295.343 0.168 0 50 CCAA Cc1nc(NC[C@@H](O)CO)cc(C(F)(F)F)n1 514706078 DLOVNDMOXBQVFX-ZCFIWIBFSA-N 251.208 0.569 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@H]2CCN(C)C(=O)C2)cc1 170616367 ZZKVHOYFCCQUDI-NSHDSACASA-N 282.365 0.894 0 50 CCAA Cc1cncc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)c1 170619096 LAKRRHWDADKQCS-QWHCGFSZSA-N 277.368 0.917 0 50 CCAA CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](C)[C@H](C(N)=O)C1 408046718 CWUPOEQGYBTYTJ-GMTAPVOTSA-N 255.362 0.295 0 50 CCAA CCCC[C@H]1NC(=O)N(CCn2nc(C)oc2=O)C1=O 641486798 CMDWKAAPEOACAK-SECBINFHSA-N 282.300 0.255 0 50 CCAA CN1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)CC1=O 190121020 MZTXYGUMTDCGJY-JTQLQIEISA-N 276.292 0.766 0 50 CCAA O=C(O)Cc1cccc(NC(=O)C2(n3cnnn3)CC2)c1 659137044 FLYQPJNWKSTVAB-UHFFFAOYSA-N 287.279 0.428 0 50 CCAA NS(=O)(=O)c1cnc(N[C@H]2CCC[C@@H](O)C2)s1 585742082 PEBVEFBQLHYVGQ-NKWVEPMBSA-N 277.371 0.506 0 50 CCAA O=C(NCC1(CO)CCOCC1)c1n[nH]cc1Cl 1857529885 VELUTGIHWYWAOW-UHFFFAOYSA-N 273.720 0.582 0 50 CCAA N[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1C[C@H]2C[C@H](O)C[C@H]2C1 1800409910 LLQSUIPAMODLQS-MKJYMWDZSA-N 262.353 0.365 0 50 CCAA Cn1cc(-c2noc([C@@H]3CCCc4nccn43)n2)nn1 1615046115 WWVXKCACCUGBIL-VIFPVBQESA-N 271.284 0.987 0 50 CCAA Cc1cnc2c(cnn2CC(=O)NC2CC3(C2)C[C@H]3N)c1 1615545379 GHQDZNILZGRJMZ-MQYJIDSJSA-N 285.351 0.736 0 50 CCAA Cn1cc(CNC(=O)[C@H]2NCCOc3ccccc32)cn1 1615613754 BRMOZMVHVBKBHJ-AWEZNQCLSA-N 286.335 0.760 0 50 CCAA COC(=O)[C@H](C[C@H]1CCNC1=O)NC(=O)OC(C)(C)C 142329452 HTQMBOWAEPNWLI-BDAKNGLRSA-N 286.328 0.579 0 50 CCAA CC(C)(C)OC(=O)CCOCCOCCOCCO 25721346 KSXVEOLRERRELV-UHFFFAOYSA-N 278.345 0.760 0 50 CCAA in-vitro C[C@H]1CO[C@@]2(N3CCNCC3)c3ccccc3C(=O)N12 1772572470 WXCMCKSJDOTVBL-XHDPSFHLSA-N 273.336 0.577 0 50 CCAA CCc1cnc(N2CCC3(CC2)CN(C)C(=O)CO3)nc1 1775981553 ALSJPCBGERQGNA-UHFFFAOYSA-N 290.367 0.867 0 50 CCAA CCOc1ccc([C@H]2NS(=O)(=O)NC2=N)cc1 5042684 SGORAJSGHIFQCO-SECBINFHSA-N 255.299 0.541 0 50 CCAA C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H](C3CC3)O2)O[C@@H]1C(=O)O 1857531889 IXHFNNGKPULMEK-YIQGNQSOSA-N 297.351 0.938 0 50 CCAA O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCn2nccc2C1 1857726199 JBHPEMNEGDOFLL-SNVBAGLBSA-N 285.351 0.974 0 50 CCAA C[C@H]1CN(S(=O)(=O)c2cn3c(n2)CCCC3)CCN1 225427126 ZKSVWZLMNXEIEM-JTQLQIEISA-N 284.385 0.202 0 50 CCAA CN1CC[C@@H](C(=O)NCc2cccc(C(=O)O)c2)CC1=O 121217720 MUMHKAWLWRBWLC-LLVKDONJSA-N 290.319 0.869 0 50 CCAA CN(Cc1nnc2n1CCC2)c1nc(C(=O)O)co1 910340168 PRODECYMWWWFMV-UHFFFAOYSA-N 263.257 0.547 0 50 CCAA CSc1nc(C)cc(-n2ccc(=O)[nH]c2=O)n1 118973 JIPJBTDXKJPUEH-UHFFFAOYSA-N 250.283 0.346 0 50 CCAA COC(=O)[C@H]1CC12CCN(C(=O)c1ccc(=N)[nH]c1)CC2 2356144441 YABGNCAOSFZQMB-LLVKDONJSA-N 289.335 0.909 0 50 CCAA O=C(NCC[C@H](O)[C@H](O)CO)OCc1ccccc1 3136346 YCUQTHBQUKYBJR-NWDGAFQWSA-N 269.297 0.017 0 50 CCAA COc1ccccc1N([C@H](C)C(=O)O)S(C)(=O)=O 20130875 XDJHUONADWFXLU-MRVPVSSYSA-N 273.310 0.934 0 50 CCAA O[C@]1(CNCCC2=CSC3=NCCCN23)CCNC1 101964322 UPXVURUMLMPJQZ-ZDUSSCGKSA-N 282.413 0.340 0 50 CCAA N[C@@H]1CN(C(=O)OCc2ccccc2)CCNC1=O 59796879 SDCSGJAVJCCSOZ-LLVKDONJSA-N 263.297 0.082 0 50 CCAA O=C(c1cn2ccsc2n1)N1CC[C@H](CO)[C@@H](O)C1 72173790 KAKZZPMIFBAUCH-SCZZXKLOSA-N 281.337 0.211 0 50 CCAA Cc1ncoc1C(=O)N1CCC(N=c2cccn[nH]2)CC1 329982285 ABWAZAZGFBZUGR-UHFFFAOYSA-N 287.323 0.912 0 50 CCAA Cn1ccnc1[C@H]1CNCCN1CC1CCOCC1 261661820 BAGIGYAXHHNLFT-CYBMUJFWSA-N 264.373 0.793 0 50 CCAA C[C@H](CO)N(C)S(=O)(=O)c1cccc(N(C)C)c1 330502009 BDICCNBQZHKLLX-SNVBAGLBSA-N 272.370 0.754 0 50 CCAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NC[C@H]1CCCO1 332836958 FJUMHQZRVYSZIF-CMPLNLGQSA-N 281.356 0.476 0 50 CCAA COCc1nc(NCCc2c[nH]cn2)c2cnn(C)c2n1 72170087 OXKKSBDVDUXBCK-UHFFFAOYSA-N 287.327 0.887 0 50 CCAA CCc1c(C)nn(CC(=O)N2CC[C@@H](N)[C@@H](OC)C2)c1C 71756988 QMPDIMMXHFDIEC-KGLIPLIRSA-N 294.399 0.637 0 50 CCAA O[C@]1(Cn2ccnn2)CCCN(c2ncc(Cl)cn2)C1 284431582 FSIAEPYTWADXGH-GFCCVEGCSA-N 294.746 0.753 0 50 CCAA Nc1nccnc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 238057543 RKPLXOMIIAJMRO-NSHDSACASA-N 298.302 0.711 0 50 CCAA CN1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 72419994 XJZAJWZQKOFEFM-GFCCVEGCSA-N 279.388 0.457 0 50 CCAA CSc1ncc(CNC(=O)CCCn2cncn2)n1C 222910717 VJEOXTMJDVCXPV-UHFFFAOYSA-N 294.384 0.830 0 50 CCAA C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@]1(O)C1CCC1 91468986 MOEHFENBAUXFKS-BMIGLBTASA-N 280.368 0.652 0 50 CCAA NC(=O)c1ccc(C(=O)N2CC[C@@H](O)C23CCCC3)nc1 294090146 IPGUCUYHRMPAHR-GFCCVEGCSA-N 289.335 0.700 0 50 CCAA CC(=O)N1CCC[C@H](C(=O)NCCn2nc(C)nc2C)C1 95382846 LHEXDKSBUBGGHU-ZDUSSCGKSA-N 293.371 0.270 0 50 CCAA Cc1ccc([C@H]2CN(C(=O)CN3CCOC3=O)C[C@@H]2N)o1 91270547 XSVWLQIHOSXDME-QWRGUYRKSA-N 293.323 0.293 0 50 CCAA CC1(C)CN(C(=O)c2c[nH]c(=O)cn2)C[C@]1(C)O 91807340 VNTLFULCQVJOML-LBPRGKRZSA-N 251.286 0.003 0 50 CCAA Cn1cc(C(=O)NC[C@H]2CCOC(C)(C)C2)nn1 622678720 BCRLANHQZHFKAX-VIFPVBQESA-N 252.318 0.750 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25CC(C)(C)C[C@]12[C@H]5[C@H]43 248336517 ORUGTCDEHZTCHZ-SOAICSKUSA-N 285.347 0.756 0 50 CCAA Cc1cccc(NC(=O)N[C@@]2(CO)CCOC2)n1 184199854 GVYIGDDJNXAWDJ-GFCCVEGCSA-N 251.286 0.663 0 50 CCAA Cc1ncccc1CN[C@H]1COC[C@H]1n1ccnn1 299744570 PETBQNHQVXYXJW-QWHCGFSZSA-N 259.313 0.711 0 50 CCAA CC(C)CS(=O)(=O)CCC(=O)N1CC[C@H](C(=O)O)C1 299742972 LDKLUTDWVHJMRV-JTQLQIEISA-N 291.369 0.380 0 50 CCAA Cc1nc(CNC(=O)N2CC[C@H](C(C)(C)O)C2)no1 534588984 JUCBPTNLBYKJJG-VIFPVBQESA-N 268.317 0.680 0 50 CCAA NC(=O)C1CCN(CCCNc2cnccn2)CC1 534673466 RENUKTUGEMWMGP-UHFFFAOYSA-N 263.345 0.476 0 50 CCAA C[C@@]1(c2nc(CC(N)=O)nn2CC(F)(F)F)CCCO1 826842287 OZMLJTDWJQWARY-JTQLQIEISA-N 292.261 0.894 0 50 CCAA CCn1cnnc1CCn1cnc2cnccc2c1=O 584893145 KBLLHKBYEIZSLE-UHFFFAOYSA-N 270.296 0.646 0 50 CCAA NC[C@H](C(=O)Nc1c[nH]ccc1=O)C1CCOCC1 864736883 AGPKIMDDKGOTKI-JTQLQIEISA-N 265.313 0.315 0 50 CCAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncc(=O)[nH]1 584886273 BKIWYEDMYWGIOQ-MYJAWHEDSA-N 263.297 0.552 0 50 CCAA COC(=O)N[C@H](C)C(=O)N1Cc2nc(C)nc(O)c2C1 670473369 IBRFZAFKXQCOHC-ZCFIWIBFSA-N 280.284 0.077 0 50 CCAA CCOc1ccnc(N2CC[C@H](C(=O)NC)C2)n1 670450506 KRAFEVOKWRVCGQ-VIFPVBQESA-N 250.302 0.448 0 50 CCAA CCN(CC)C(=O)N1CCN([C@H]2CCOC[C@@H]2OC)CC1 952879849 ADSIKGLEIYDCPM-KBPBESRZSA-N 299.415 0.870 0 50 CCAA Cc1conc1C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 888095533 PILJUPLJRIBMFW-CWSCBRNRSA-N 293.323 0.539 0 50 CCAA CCO[C@@H]1CCCC[C@H]1NC(=O)N1CC(=O)N(C)C1 889205267 IXIXROQWTFKHKU-GHMZBOCLSA-N 269.345 0.775 0 50 CCAA O=C1NC(=O)[C@@]2(CCCN(Cc3cnn(CCF)c3)C2)N1 1333791801 SIJVQWGLKCHDKS-ZDUSSCGKSA-N 295.318 0.027 0 50 CCAA O=C(N[C@H]1CCNC12CCC2)C1=C2CCN=C2NC=C1 1775961394 XODUSKXNYUMSNV-LBPRGKRZSA-N 272.352 0.603 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cnn(C)c1C 1565530147 PHHBQQAAFAPAAX-QWRGUYRKSA-N 253.302 0.262 0 50 CCAA CN(C1CC1)S(=O)(=O)NCCc1cccc(C(=O)O)n1 684896754 NNZRBQBFXOALGE-UHFFFAOYSA-N 299.352 0.251 0 50 CCAA Cc1ccc(S(N)(=O)=O)c(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1 631280373 KAKYZAOMFQWNLL-URLYPYJESA-N 282.365 0.317 0 50 CCAA CC(=O)CN1CCNC(=O)[C@@H]1c1ccccc1F 639576930 AHSBJLGAZCEBCV-LBPRGKRZSA-N 250.273 0.888 0 50 CCAA C[C@@H]1CCC[C@@H](O[C@H](C)C(=O)NN2CC(=O)NC2=O)C1 225436147 UBWPVGVKAWBTLC-OPRDCNLKSA-N 283.328 0.553 0 50 CCAA O=C(COC[C@@H]1CCCO1)Nc1ccn2nccc2n1 585125602 YIOQKNWVNFDZRX-JTQLQIEISA-N 276.296 0.863 0 50 CCAA C[C@H]1CCCN(C(=O)C(=O)N2CCc3nocc3C2)C1 585122680 ZUAOTWDTYPLRTC-JTQLQIEISA-N 277.324 0.818 0 50 CCAA CN(Cc1nc(O)n[nH]1)C[C@H]1CCc2nccn2C1 681927632 JXNGBCLDEOYLMP-SECBINFHSA-N 262.317 0.401 0 50 CCAA N=c1[nH]nc(CNC(=O)c2cncc(Cl)c2)s1 1857684253 FLGKSXCXIBIWNE-UHFFFAOYSA-N 269.717 0.929 0 50 CCAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N[C@]1(C)CCS(=O)(=O)C1 407961335 DHYHBOFPGMQRMC-MIZYBKAJSA-N 275.370 0.493 0 50 CCAA C[C@@H](COC(=O)c1cnn2c1CCCC2)S(C)(=O)=O 225526892 CWLXNGVMOAHCMP-VIFPVBQESA-N 286.353 0.809 0 50 CCAA COC[C@H]1C[C@@H](O)CN1C(=O)CCc1scnc1C 652820300 YTQAARBIBDSBSB-GHMZBOCLSA-N 284.381 0.992 0 50 CCAA CC(C)[C@H](C(=O)N(C)CC(=O)O)N1CCCC1=O 153110778 UPPLDFJFRPUXCP-LLVKDONJSA-N 256.302 0.176 0 50 CCAA CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cnon2)C1 1615587257 WJMACUXLFSVLOW-GHMZBOCLSA-N 294.355 0.971 0 50 CCAA Cc1nnccc1C(=O)N1CCCC[C@H]1CS(C)(=O)=O 1615589649 FEKFHZHJGJYBIO-NSHDSACASA-N 297.380 0.824 0 50 CCAA COCC[C@@H]1CN(Cc2cccnc2N)CCO1 216490362 DLVRWJNTFFCKLB-GFCCVEGCSA-N 251.330 0.901 0 50 CCAA C[C@H](CC(F)(F)F)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772710263 MXBIZGAKMZTBFL-IWSPIJDZSA-N 253.264 0.860 0 50 CCAA O=C(c1ccc(F)cc1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772712993 YCHPEPMFOVDPOG-TXEJJXNPSA-N 265.284 0.499 0 50 CCAA O=C(N[C@H]1CCOC1=O)c1cn(CC2CCCCC2)nn1 12613145 HLNSJNWRMNNGGD-NSHDSACASA-N 292.339 0.904 0 50 CCAA CC[C@]12COC(=O)N1CCN(c1n[nH]c(=N)s1)C2 1857681007 VEGPLFOQQKGPSP-JTQLQIEISA-N 269.330 0.372 0 50 CCAA O=C(NC[C@@H]1CCCO1)c1cc(N2CCOCC2)ncn1 240658885 AHORZQHSBLWCTR-NSHDSACASA-N 292.339 0.222 0 50 CCAA CC[C@H](NC(=O)CCn1cnc2c(N)ncnc21)[C@H](C)O 615859402 HCWOZSCRJKYCEQ-IUCAKERBSA-N 292.343 0.074 0 50 CCAA Cc1nccc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)n1 624422672 CCMZIPDFTWFKKS-VXGBXAGGSA-N 275.312 0.147 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC[C@@H](NC(C)=O)C1 900252944 XLKOBFCLVWCASZ-GFCCVEGCSA-N 281.356 0.148 0 50 CCAA Cc1ncccc1CN1CC[C@H](C(=O)O)[C@H](O)C1 1704304306 CNRLXPPFPDFMCV-NWDGAFQWSA-N 250.298 0.657 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1nncs1 930776539 HSNJUGQYTABFNT-NSHDSACASA-N 270.358 0.265 0 50 CCAA CN1CCC[C@H](C(=O)NCCc2nc(C(=O)O)cs2)C1 220410734 XEZVXBXCKHONOE-VIFPVBQESA-N 297.380 0.842 0 50 CCAA Cc1nc(N)ncc1C(=O)N1CCOC(C)(C)C1 221428023 ITMHQUFDGPIUTC-UHFFFAOYSA-N 250.302 0.618 0 50 CCAA NC(=O)C1(NC(=O)[C@H]2CC23CCNCC3)CCCCC1 237858568 NPDNMJQWAMMIIX-LLVKDONJSA-N 279.384 0.681 0 50 CCAA CC1(C)[C@H](CN)C[C@H]1NC(=O)c1cnn2c1C[C@@H](N)CC2 2325799982 CHPNYJWIUUZHHK-OUJBWJOFSA-N 291.399 0.260 0 50 CCAA Cn1cnc2c[nH]c(=NCCN3CCCC[C@H]3CO)nc21 2356156905 WFPOAGVOULLWRB-NSHDSACASA-N 290.371 0.044 0 50 CCAA CC(C)(O)C(=O)N1CCC[C@]2(CCc3c[nH]c(=N)nc32)C1 2356158480 LXAJFHWKXIRQIE-HNNXBMFYSA-N 290.367 0.466 0 50 CCAA OCCOCCOC[C@@H](O)COCc1ccccc1 4977654 NBHGNLCQKXLUAJ-CQSZACIVSA-N 270.325 0.590 0 50 CCAA CCCCN1C[C@H](C(=O)N2CCN(C)CC2)CC1=O 20018267 OGWNBFPTMDHRRC-GFCCVEGCSA-N 267.373 0.409 0 50 CCAA C[C@](O)(CCCO)CNC1CSCCSC1 67642137 NAYRSVHJRKMYMN-NSHDSACASA-N 265.444 0.948 0 50 CCAA COC(CNC(=O)CN(C)Cc1cccs1)OC 170219169 NYSAQDDOHWIVJG-UHFFFAOYSA-N 272.370 0.915 0 50 CCAA COC[C@H](C)C(=O)N1CCN(C)[C@H](c2nccn2C)C1 328644348 ZDJBEDOGVJQKIO-RYUDHWBXSA-N 280.372 0.518 0 50 CCAA CC(C)c1nccn1CCCNC(=O)c1c[nH]c(=O)[nH]1 216349077 GLXXIEQWRLNEQB-UHFFFAOYSA-N 277.328 0.843 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@@H](C)N1 153537635 VHUZADZIUJELQA-RKDXNWHRSA-N 262.313 0.003 0 50 CCAA O=C(Nc1ccn(Cc2ccccc2)n1)[C@@H]1C[C@H](O)CN1 366337711 IEKXWGWJIBAUTH-STQMWFEESA-N 286.335 0.593 0 50 CCAA Cc1nc(CCC(=O)N2CCO[C@H](C(F)(F)F)C2)n[nH]1 71747820 WORKMFAHCAAQPR-QMMMGPOBSA-N 292.261 0.835 0 50 CCAA COc1cccc(CN2CCC[C@H](S(N)(=O)=O)C2)n1 368626303 SMGLJIFJDMXMME-NSHDSACASA-N 285.369 0.343 0 50 CCAA CS(=O)(=O)N1CCC[C@@H]1CNc1ncnc2nc[nH]c12 157477630 VFHZJCOPQHDZAT-MRVPVSSYSA-N 296.356 0.189 0 50 CCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(N)=O)cc1C 72125647 HAMZIXJQJAPHND-LBPRGKRZSA-N 291.351 0.179 0 50 CCAA CCOC(=O)[C@H](C)CNC(=O)C[C@@H]1CSCCN1 132966683 WNCTWTYSFFDMCC-NXEZZACHSA-N 274.386 0.397 0 50 CCAA Cc1nccn1CCCC(=O)N[C@@H]1COCC[C@H]1O 220462134 TZSQJGGIUXKIAD-VXGBXAGGSA-N 267.329 0.238 0 50 CCAA NC1CC(c2cc(NCCN3CCOCC3)ncn2)C1 223361304 OCPRBTSDUOYGEU-UHFFFAOYSA-N 277.372 0.425 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](CC1CCC1)[C@H](O)C(N)=O 40435115 KCDNFVJMBIUAFE-UWVGGRQHSA-N 272.345 0.916 0 50 CCAA in-vitro COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(O)no1 222874323 IXGXGXQGZRKRHP-HJGGDWJDSA-N 268.269 0.160 0 50 CCAA CN1CCN(CCC(=O)N2CCC[C@@]2(C)C(=O)O)CC1 426477229 OFSHTFOLLZZXKA-AWEZNQCLSA-N 283.372 0.090 0 50 CCAA CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@H](C(N)=O)C1 91876862 TUPJPRMPJUJYME-GFCCVEGCSA-N 294.355 0.353 0 50 CCAA Cn1ccnc1C(=O)[C@H]1CCCN(c2nccc(N)n2)C1 95518046 ADSJMWYFGBMUGK-JTQLQIEISA-N 286.339 0.892 0 50 CCAA COCC[C@@]1(C(=O)O)CCCN(CCS(C)(=O)=O)C1 91595732 BSRQIYWIWMEUHN-LBPRGKRZSA-N 293.385 0.234 0 50 CCAA COCCN(C)[C@@H](C(=O)O)c1ccc(OC)nc1 95392823 ONIKKYSBCRENAP-LLVKDONJSA-N 254.286 0.794 0 50 CCAA CSCc1noc(C[C@H]2C(=O)N(C)C(=O)N2C)n1 96164777 NIZKZVUGFJQBEX-LURJTMIESA-N 270.314 0.368 0 50 CCAA OCCn1nccc1-c1nc([C@H]2CCOC2)no1 96133463 SWNWMLXUPLUBKE-QMMMGPOBSA-N 250.258 0.429 0 50 CCAA O=C1COc2ccc(F)cc2N1C[C@@H]1COCCO1 95391557 XFWHAYLUAUANFE-SNVBAGLBSA-N 267.256 0.967 0 50 CCAA COCCN1CC[C@H](C(=O)NCc2nc(C)c(C)n2C)C1 244899920 ZSVBGKWOZWWGOB-ZDUSSCGKSA-N 294.399 0.621 0 50 CCAA O=c1ccccn1CCCNS(=O)(=O)N1CCCCC1 828406934 AIKVUXYOOHIZQI-UHFFFAOYSA-N 299.396 0.559 0 50 CCAA CC(C)n1cnnc1CCn1cnc2nccnc2c1=O 584895102 PZANIBTZCCETCK-UHFFFAOYSA-N 285.311 0.602 0 50 CCAA N[C@H]1CCN(C(=O)CNC(=O)OCc2ccccc2)C1 585662187 LRBLZYAGEAFBLF-LBPRGKRZSA-N 277.324 0.472 0 50 CCAA C[C@@H](CS(C)(=O)=O)N1CCC2(CCC(=O)N2C)CC1 670453203 PRRYGKYUQKKAHG-NSHDSACASA-N 288.413 0.506 0 50 CCAA CS(=O)(=O)CCn1cc(CN2CCCCC2)nn1 1875282183 QESOWQBQJXADIM-UHFFFAOYSA-N 272.374 0.309 0 50 CCAA C=CC(=O)N1CC(C(=O)N[C@H]2CCc3cnn(C)c3C2)C1 1875387610 PNUGNMSLALPHBE-LBPRGKRZSA-N 288.351 0.038 0 50 CCAA COc1cccc(NC(=O)NC2CS(=O)(=O)C2)n1 952995038 BBZGPBFSGAOEBS-UHFFFAOYSA-N 271.298 0.009 0 50 CCAA Cc1ccc2c(CCNC(=O)c3nnn(C)n3)c[nH]c2c1 878579677 SBKMWFOTRLHCQE-UHFFFAOYSA-N 284.323 0.972 0 50 CCAA Cc1ccnc(N2CCN(CC(F)(F)CO)CC2)n1 895101589 IKOPYLUCHQKOMZ-UHFFFAOYSA-N 272.299 0.535 0 50 CCAA C=CC(=O)N1C[C@@H](NC(=O)C2CC2)[C@H](c2ccnn2C)C1 1776004877 PJAXHRXFFCGSMD-VXGBXAGGSA-N 288.351 0.427 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cl)cnc1O 1565526260 QGOBFMWMQMMNLD-IUCAKERBSA-N 272.688 0.320 0 50 CCAA C/C=C/C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C(=O)OCC 170081420 QRVWJIZMWCMFEY-YYMQPOIQSA-N 282.340 0.527 0 50 CCAA C[C@@H]1C[C@@H](C(=O)Nc2ncc(C(N)=O)s2)CCO1 170592006 DRQBRSFLQIEDCS-RQJHMYQMSA-N 269.326 0.996 0 50 CCAA O=C1NC(=O)[C@@H](CCC(=O)OCCc2cccs2)N1 170626525 WSYZRKHRFPWAAE-SECBINFHSA-N 282.321 0.822 0 50 CCAA Cc1ccc(-n2cnnn2)cc1N1C(=O)NC2(CCC2)C1=O 170613833 BXGOIJKVDSFSTA-UHFFFAOYSA-N 298.306 0.950 0 50 CCAA COc1ccnc(N2CCN(C(=O)c3cn[nH]c3)CC2)c1 171564317 ORYMIHFCLHKOLY-UHFFFAOYSA-N 287.323 0.776 0 50 CCAA COC[C@H]1[C@@H](NC(=O)CCn2cccn2)[C@H]2CCO[C@H]21 1074584071 FUFOHAORTNNMMI-UVLXDEKHSA-N 279.340 0.439 0 50 CCAA COc1ncc(CN2CCO[C@@H]3CCN(C)C[C@@H]32)c(C)n1 408037463 DUWHWERHBNISEA-UONOGXRCSA-N 292.383 0.699 0 50 CCAA NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H]1CCCCC(=O)N1 408515170 BZCHZFNHWUPOBR-WGBDABJCSA-N 293.367 0.158 0 50 CCAA O=C(N[C@H]1CCc2n[nH]cc2C1)N[C@@H]1[C@H]2COC[C@H]21 684396928 BVMIAMOZOWMDLB-UXCLJVHYSA-N 262.313 0.211 0 50 CCAA CN(C)c1ccc(C(=O)N2CCNC[C@H]2C(F)F)nc1 564994832 IKBJAIVPRDJGRS-NSHDSACASA-N 284.310 0.827 0 50 CCAA COc1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)ncn1 660286660 OJBURJUDLWUSIO-VXGBXAGGSA-N 278.356 0.521 0 50 CCAA OC[C@]12COCC[C@H]1CN(CCn1cc(Cl)cn1)C2 1857669226 IIHOZRGEOQSOBA-WCQYABFASA-N 285.775 0.867 0 50 CCAA CCCn1[nH]c(=NC(=O)[C@@H]2CCCN2C(C)=O)cc1C 1875245929 FSUFJMPBIMVRGH-LBPRGKRZSA-N 278.356 0.973 0 50 CCAA CCn1ccc(CC(=O)N2CCCC[C@H]2C(N)=O)n1 651087650 GTTFZQUAGJKEAT-NSHDSACASA-N 264.329 0.312 0 50 CCAA CC[C@@]1(C)C[C@H]1C(=O)N(CCN(C)C)CC(=O)O 153278631 KMZLDCHBFQYAPG-GWCFXTLKSA-N 256.346 0.897 0 50 CCAA COc1cc(O)ncc1C(=O)N1C[C@H]2CCC[C@@]2(N)C1 1615554906 VWPFCKCGAFBNNB-YMTOWFKASA-N 277.324 0.749 0 50 CCAA O=C(OC1CC1)N1CCC[C@H](N2CCNC2=O)C1 1616034511 MXMPDPUTKGDVLI-VIFPVBQESA-N 253.302 0.775 0 50 CCAA COCCNC(=O)CNC(=O)c1ccc(F)c(C)c1N 1628507400 XIIBJQDHAYCQDR-UHFFFAOYSA-N 283.303 0.209 0 50 CCAA CNC(=O)C1(C)CCN(CC[C@H]2COCCO2)CC1 1775983053 HBPVTHBAGSOJPM-LBPRGKRZSA-N 270.373 0.640 0 50 CCAA CC(C)N1C[C@H](CN2CCCNC(=O)C2)CCC1=O 1775981545 VXSJAUWDODCWST-LBPRGKRZSA-N 267.373 0.455 0 50 CCAA CO[C@H]1[C@@H](NC(=O)c2cc(O)n(C)n2)[C@@H]2CCC[C@H]21 1857533081 BIHRJLRKJZWATE-VZJNWSLWSA-N 265.313 0.669 0 50 CCAA Cc1nnc2n1C[C@H](CNC(=O)c1ccn3nccc3c1)C2 1857717389 NLACZBWEHSLEMC-NSHDSACASA-N 296.334 0.837 0 50 CCAA Cc1nccc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)n1 1857733376 IEKYJBAJBOTVER-OCCSQVGLSA-N 274.324 0.318 0 50 CCAA C[C@@H]1OCC[C@@H]1C(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 328628653 HKVNTEBWTNICNU-CFVMTHIKSA-N 296.411 0.981 0 50 CCAA O=C(NCc1nnc2ccccn12)[C@@H]1CCn2nccc2C1 1875242957 JSULNOJURKCQGG-LLVKDONJSA-N 296.334 0.805 0 50 CCAA CN1C2(CCC2)COC[C@]1(CO)CN[C@H]1COC(C)(C)C1 527948664 JQFCAAJHNOHGDV-CZUORRHYSA-N 298.427 0.759 0 50 CCAA CN(C)S(=O)(=O)N1CCC(C2CCNCC2)CC1 20135920 JYTHYCMPNRDNOL-UHFFFAOYSA-N 275.418 0.504 0 50 CCAA in-vitro Cn1nncc1CNC(=O)[C@@]1(O)CCc2ccccc2C1 366476210 QYTXVSNPYRQVCS-OAHLLOKOSA-N 286.335 0.351 0 50 CCAA C[S@](=O)c1nncn1CCOc1ccccc1C(=O)O 843303183 BDNJVOLYJLIKLM-FQEVSTJZSA-N 295.320 0.793 0 50 CCAA CCn1nc(C)c(Cn2cc(S(C)(=O)=O)cn2)n1 901603733 SOAIXJUPGOIHCJ-UHFFFAOYSA-N 269.330 0.255 0 50 CCAA O=C(CCCn1c(O)nnc1O)NC1CC2(CSC2)C1 913750951 KTIGXFPCTXAMGT-UHFFFAOYSA-N 298.368 0.481 0 50 CCAA C[C@H]1CN(C)C(=O)CN1C(=O)c1cc2n(n1)CCCC2 829793667 WFXFNYJJUZRBPV-JTQLQIEISA-N 276.340 0.522 0 50 CCAA O=C(c1cc2cccn2cn1)N1CCN2C(=O)NC[C@@H]2C1 934287117 YTCVNSQZMKXROP-LLVKDONJSA-N 285.307 0.184 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCN(CC(C)C)C(=O)[C@H]1C 860987750 HXPYWNABCWUFRB-GFCCVEGCSA-N 295.383 0.346 0 50 CCAA COc1cc(C(=O)N[C@@H]2CCOC[C@H]2O)ccc1C 219002621 WGTXXDBVYXQTBC-VXGBXAGGSA-N 265.309 0.883 0 50 CCAA CCc1ccccc1S(=O)(=O)N[C@H](C(=O)O)[C@H](C)O 276762615 AMZXAJSUQGOYPB-KWQFWETISA-N 287.337 0.361 0 50 CCAA CN1C[C@H]2CN(S(=O)(=O)c3ccccc3N)C[C@H]2C1 278370245 KIGJPANMXSHCFR-PHIMTYICSA-N 281.381 0.451 0 50 CCAA CC1(C)CC[C@@H](CO)N(C[C@H](O)Cn2cccn2)C1 621377854 HXYCLJIDBUCMBV-STQMWFEESA-N 267.373 0.727 0 50 CCAA NS(=O)(=O)c1cccnc1N1CCC[C@@](F)(CO)C1 367795799 WXSURPMRDHWNOR-NSHDSACASA-N 289.332 0.030 0 50 CCAA COc1ccc(CCCNC(=O)[C@H]2C[C@H](O)CN2)cc1 277657891 TTXCULNRYFXUEA-GXTWGEPZSA-N 278.352 0.467 0 50 CCAA C[C@H](C1CCC1)N(C)C(=O)[C@@H]1CCc2nnnn2C1 2325771245 MVCZTMURMCHWKT-MWLCHTKSSA-N 263.345 0.883 0 50 CCAA CCc1ccnc(C(=O)N2O[C@@H]3CC[C@H]2[C@@H](O)[C@H]3O)c1 2325804030 QDHRAGGCJSBUKB-LOWDOPEQSA-N 278.308 0.284 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)/C=C/c1cccc(F)c1 133756278 DDGXAAJQGUMIFY-AAAGKOELSA-N 264.300 0.942 0 50 CCAA COc1ccc(N([C@H](C)C(N)=O)S(C)(=O)=O)cc1 379674 VFBQGOUQPCACJK-MRVPVSSYSA-N 272.326 0.335 0 50 CCAA NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1F 450557 PFPCGOAOIMXBHQ-UHFFFAOYSA-N 295.295 0.655 0 50 CCAA Cc1cc(C)c(S(=O)(=O)N(C)CC(N)=O)c(C)c1 470337 FXZVFOOXRWYZPN-UHFFFAOYSA-N 270.354 0.718 0 50 CCAA OC[C@@]12COC[C@@H]1CN(c1nnnn1-c1ccccc1)C2 2356141458 BUQBTDSFOAJTMK-FZMZJTMJSA-N 287.323 0.107 0 50 CCAA CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccn1 3893206 UCUXHGJYJVXAGU-LLVKDONJSA-N 286.295 0.920 0 50 CCAA COc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4009111 TYSFSRXRSFMYIX-JTQLQIEISA-N 299.348 0.377 0 50 CCAA COc1cc(NCCc2cc(=O)[nH]c(C)n2)ncn1 65386921 RXMFLQBTBLIFKS-UHFFFAOYSA-N 261.285 0.532 0 50 CCAA O=C1CC[C@H](C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)N1 128291312 BSBQBQCTTCREGT-WDEREUQCSA-N 278.312 0.279 0 50 CCAA C[C@@H]1CN(C(=O)C(=O)c2cccn2C)CCCO1 215833075 JOEJJSKDKXGEKY-SNVBAGLBSA-N 250.298 0.845 0 50 CCAA CC[C@H](C(N)=O)N1CCc2c(nnn2-c2ccccc2)C1 366602567 OICLYRLIHPSIIC-CYBMUJFWSA-N 285.351 0.889 0 50 CCAA O=C(CCn1cc(Cl)cn1)N1CC[C@H](CO)[C@H](O)C1 72153254 BLYIOCQUGASHTA-MWLCHTKSSA-N 287.747 0.128 0 50 CCAA Cc1nc(NC(=O)N2CCC[C@H](CO)C2)nn1C 48482713 FIPHVQDDDWOEPV-VIFPVBQESA-N 253.306 0.360 0 50 CCAA CN(Cc1noc(C2CCC2)n1)C(=O)CN1CCOCC1 220400516 DVTJCTNAFFOGRP-UHFFFAOYSA-N 294.355 0.628 0 50 CCAA O=C(C[C@H]1CCCOC1)N1CCN(c2cnccn2)CC1 192601850 YIAKMKRTLLSEAE-CYBMUJFWSA-N 290.367 0.942 0 50 CCAA CCc1ncc(S(=O)(=O)N2CC[C@H](OC)C2)[nH]1 234191230 MQJDWBDISSKTLM-QMMMGPOBSA-N 259.331 0.382 0 50 CCAA CC[C@H](C(=O)N1CCS(=O)(=O)CC1)n1cccn1 91304551 CQKIOFDPEGMOOC-SNVBAGLBSA-N 271.342 0.091 0 50 CCAA CNC(=O)CN1CCC[C@](CO)(CCCOC)C1 92077234 OTNFPJJCCYYPEI-ZDUSSCGKSA-N 258.362 0.234 0 50 CCAA Cc1cc(C(=O)NCCS(=O)(=O)N(C)C)cnc1C 97679892 DKCJRMXRNJWXQP-UHFFFAOYSA-N 285.369 0.320 0 50 CCAA COc1ccccc1-n1cc(C(=O)N2C[C@H](O)CO2)cn1 92036784 WGAOTDKDJJZTCR-NSHDSACASA-N 289.291 0.629 0 50 CCAA CC(C)[C@H](N)C(=O)Nc1nnc(-c2ccccn2)[nH]1 236810581 GHYOEQPPVGEUBQ-VIFPVBQESA-N 260.301 0.789 0 50 CCAA CCn1cc(NC(=O)N[C@H](C)c2ncnn2CC)nn1 96165325 MAFVZYNMJUCEKI-MRVPVSSYSA-N 278.320 0.792 0 50 CCAA COCCC[C@@]1(CO)CCCN(CCS(C)(=O)=O)C1 91877222 CABHHGZEKSTLNC-ZDUSSCGKSA-N 293.429 0.532 0 50 CCAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(c1ncccn1)CC2 95356086 FNFQZEYDWQTZGI-JTQLQIEISA-N 290.323 0.379 0 50 CCAA O=C(CCc1nc2ccc(F)cc2[nH]1)N1CC(O)C1 97475097 CVPHFQYZXJSJON-UHFFFAOYSA-N 263.272 0.838 0 50 CCAA CC(C)n1cnnc1CN(C)CC(=O)N1CCOCC1 244778622 PTVBIUQNNOEEQO-UHFFFAOYSA-N 281.360 0.150 0 50 CCAA Cc1nc2c3cccnc3nn2c(O)c1CC(=O)O 252538048 MOQCVABIXXQECS-UHFFFAOYSA-N 258.237 0.919 0 50 CCAA O=S(=O)(NCC1(Cn2cccn2)CC1)N1CCCC1 534590214 BXSIZWKYNLGPIQ-UHFFFAOYSA-N 284.385 0.594 0 50 CCAA Nc1n[nH]c(CCNC(=O)N2CCCCCCC2)n1 534652302 PVFTXDHUMZYHIS-UHFFFAOYSA-N 266.349 0.905 0 50 CCAA CCC(=O)N1CCC[C@H]1C(=O)NCc1cc(COC)[nH]n1 299772656 AVYUUEPUBMESJQ-LBPRGKRZSA-N 294.355 0.573 0 50 CCAA O=C(c1cncc(F)c1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 826630301 KEJBGSFXLOWMNJ-KBPBESRZSA-N 293.342 0.892 0 50 CCAA CC(C)[C@H](CO)CNC(=O)N(C)Cc1ncc[nH]1 828650140 KBMNENOQGYELRX-JTQLQIEISA-N 254.334 0.816 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 670452239 IDHLRCIYTFJIRY-XQQFMLRXSA-N 299.440 0.264 0 50 CCAA C[C@@H]1OCCO[C@@H]1C(=O)N1CCC(C2(O)CC2)CC1 823842643 RUOSCSMHGFTJME-JQWIXIFHSA-N 269.341 0.554 0 50 CCAA O=C(NC[C@H]1CC2(CCNCC2)CO1)c1ccc[nH]1 877335020 HGDAZYNRDJDRBR-LLVKDONJSA-N 263.341 0.903 0 50 CCAA CCC(=O)NS(=O)(=O)c1sc(OC)nc1C 1875283931 IHOZHAPUTZTKIL-UHFFFAOYSA-N 264.328 0.675 0 50 CCAA COc1cc(C(=O)N=c2cc(C)[nH][nH]2)ccc1OCCN 1875358576 AWZLZSOLYRLRIQ-UHFFFAOYSA-N 290.323 0.738 0 50 CCAA CC(=O)N[C@H]1CC12CCN(CC1(O)CCC1)CC2 952892769 CUFUEBLMICMWGG-LBPRGKRZSA-N 252.358 0.892 0 50 CCAA Cc1nc(CNCCCN2CCC[C@@H](O)C2)n(C)c1C 952965579 DSFGSSBYZQBAQJ-CQSZACIVSA-N 280.416 0.973 0 50 CCAA CC(C)Cc1cc(N2CC3(C[C@H](O)CNC3=O)C2)ncn1 1775278867 YWBVKXHEQCTTOL-LBPRGKRZSA-N 290.367 0.362 0 50 CCAA C[C@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccncn1 1775959653 NBVLGADUAAXZHI-FTYKPCCVSA-N 259.313 0.698 0 50 CCAA CCN1C(=O)[C@H]2CN(c3nnc(C4CC4)o3)CCN2C1=O 683458712 JQKHWEGKJYIHBX-SECBINFHSA-N 291.311 0.420 0 50 CCAA Oc1nc(CN2CCOC[C@@H](O)C2)nc2ccsc12 77287081 BRRDVVZQSARIDM-QMMMGPOBSA-N 281.337 0.590 0 50 CCAA Cc1cn(C)c(=O)n(CCCn2ccnc2C)c1=O 664059552 BJHQHVTUWDQLRK-UHFFFAOYSA-N 262.313 0.451 0 50 CCAA Cn1cnc2cc(C(=O)NC[C@H]3CNCCCO3)ccc21 579581001 ODXLXROVIALWFQ-GFCCVEGCSA-N 288.351 0.682 0 50 CCAA O=C(COC[C@@H]1CCCO1)Nc1cnc2ccnn2c1 585124952 AZCBMCHFGZUHPJ-NSHDSACASA-N 276.296 0.863 0 50 CCAA NC(=O)CN1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529104677 SDPXGYUFRJPRAR-DOMZBBRYSA-N 285.347 0.555 0 50 CCAA O=S1(=O)CCc2nnc(C3CCCC3)n2CC1 630951917 QRAKCIJRLHPBGQ-UHFFFAOYSA-N 255.343 0.907 0 50 CCAA CC1=C(C(=O)N[C@@H]2CCCC[C@@H]2O)S(=O)(=O)CCO1 242183888 XCTAPMSDRPHFPY-ZJUUUORDSA-N 289.353 0.083 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cn(C)cn3)C[C@H]2O)n[nH]1 1704351434 IKIYPTDVHXMKMZ-ZWNOBZJWSA-N 289.339 0.127 0 50 CCAA O=C(N1CCc2c(F)cccc2C1)C1(O)CNC1 1615555446 JBWRGAAZMFDJQE-UHFFFAOYSA-N 250.273 0.045 0 50 CCAA N[C@]12CCC[C@H]1CN(C(=O)c1ccc3c(n1)CNCC3)C2 1615547702 PMLWEUDTHGAEPE-LRDDRELGSA-N 286.379 0.681 0 50 CCAA C[C@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)O)ccc2O1 261672828 AUNLDBYDHNCJPQ-QMMMGPOBSA-N 285.321 0.715 0 50 CCAA CC(C)NC(=O)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 1775984111 ZETJJKTVQMNOSJ-GFCCVEGCSA-N 283.372 0.675 0 50 CCAA O=C1C[C@H]2CN(Cc3cccc4ccnn34)C[C@H]2N1 1857676294 DZKHBQBSAHRKHB-GXFFZTMASA-N 256.309 0.655 0 50 CCAA CN(C)c1ccc(CN2CC3(CNC(=O)N3C)C2)cn1 1857696957 GONZORGRUBXARU-UHFFFAOYSA-N 275.356 0.357 0 50 CCAA O=C(O)/C=C/C(=O)NCC1CCC(C(=O)O)CC1 198113 XFEDBGCHJRFAAA-AATRIKPKSA-N 255.270 0.634 0 50 CCAA in-vitro Cn1ccn2c(CSC[C@@H]3CCOC3)nnc2c1=O 902509697 IGPYLOKOFLWNJZ-SECBINFHSA-N 280.353 0.698 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)c2cc(Cl)ccc2O)C[C@H]1O 1704337836 DUGPMWDRKHTKBZ-GZMMTYOYSA-N 299.710 0.953 0 50 CCAA COc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)ccn1 1704308644 GKGSGXFTKURQRO-AAEUAGOBSA-N 291.351 0.493 0 50 CCAA Cc1cc2nccc(NC(=O)N[C@@H]3Cc4cncn4C3)n2n1 932455495 ZEAUOOGLOMRBOT-SNVBAGLBSA-N 297.322 0.981 0 50 CCAA COc1cccc(CCNC(=O)[C@@H]2C[C@H](O)CN2)c1 226311103 IXGGDFGFJWKTQU-AAEUAGOBSA-N 264.325 0.077 0 50 CCAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1cccnc1 226579372 ICXOFXLAPGLSDF-CHWFTXMASA-N 262.265 0.898 0 50 CCAA O=C(c1n[nH]c(=O)c2ccccc12)N1CCCOCC1 20911484 AWNFWFHARFDIEV-UHFFFAOYSA-N 273.292 0.786 0 50 CCAA COCc1nccc([C@@H]2CCCN([C@@H](C)C(N)=O)C2)n1 229752505 UDWZIAWTHRMJEU-WDEREUQCSA-N 278.356 0.676 0 50 CCAA O=C1CC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C(=O)N1 282421674 IQSYCGKTOMYJEV-JGVFFNPUSA-N 274.267 0.733 0 50 CCAA C[C@@H](COc1ccccc1)NCCN(C)S(C)(=O)=O 65526913 LTCQYJBORKBHKL-LBPRGKRZSA-N 286.397 0.935 0 50 CCAA CN(C)c1ccc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)cn1 248120985 NDBCUHSSHDBKQU-RISCZKNCSA-N 279.340 0.105 0 50 CCAA COC(=O)[C@@H]1CCCN1C[C@H]1CCS(=O)(=O)C1 408399877 LYTTUSDCLSBOKZ-ZJUUUORDSA-N 261.343 0.059 0 50 CCAA CC[C@@H](O)CN1CCc2nnc(N(C)C)cc2C1 366663641 LFUZOXMRTKLWBR-LLVKDONJSA-N 250.346 0.672 0 50 CCAA Cc1nc(=NC(=O)c2ccc(S(N)(=O)=O)cc2)[nH]s1 2100473500 NHNFDNNNSCKJSW-UHFFFAOYSA-N 298.349 0.168 0 50 CCAA OCc1ccccc1-c1nc(N2CCOCC2)n[nH]1 2100480947 WXISNQYEZAWMRJ-UHFFFAOYSA-N 260.297 0.801 0 50 CCAA C[C@H]1C[C@@H](C)CN(C(=O)c2ccn(Cc3nn[nH]n3)n2)C1 2325806734 CYWJUXUPMOKILV-AOOOYVTPSA-N 289.343 0.563 0 50 CCAA Cc1cccc(C)c1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O 110453 YNVCMXOEZOGMJT-UHFFFAOYSA-N 289.291 0.698 0 50 CCAA COC(=O)CN(C#N)c1nc(NC(C)C)nc(OC)n1 282953 XLESRFVZAIUXSE-UHFFFAOYSA-N 280.288 0.161 0 50 CCAA aggregator CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 313641 LXUOLKLLMGMCAN-UHFFFAOYSA-N 276.745 0.707 0 50 CCAA O=C1NCCN2CCN(C(=O)CC3=CCCC3)C[C@H]12 1857687065 JULJMZWOIVMUNF-GFCCVEGCSA-N 263.341 0.129 0 50 CCAA CCNC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 396940 NLJPRMAUUCWMQH-UHFFFAOYSA-N 285.325 0.653 0 50 CCAA O=C1NC[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]12 2356146299 ZXYYBCMOAATAEJ-NWDGAFQWSA-N 284.323 0.045 0 50 CCAA Cc1cccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 4918414 JMVGNWBNXMIFLT-LBPRGKRZSA-N 297.376 0.986 0 50 CCAA CCNC(=O)NC(=O)CN(C)[C@@H]1C[C@](C)(OC)C1(C)C 247704548 YPUUVQHSAWHPFF-YGRLFVJLSA-N 285.388 0.968 0 50 CCAA COc1cccc(OCCOCCNCCN)c1 22079152 CJAWDOOEBHHHIT-UHFFFAOYSA-N 254.330 0.639 0 50 CCAA C[C@@H]1CCC[C@@H]1OC[C@H](O)CN1CCN(CCO)CC1 22823105 CYSUXZOTEMFZIJ-KFWWJZLASA-N 286.416 0.162 0 50 CCAA O=C(CCn1cncn1)NCCc1cn2ccccc2n1 23464611 IGSVNPHHEUENJE-UHFFFAOYSA-N 284.323 0.675 0 50 CCAA Cn1ncnc1C(=O)N1CCC[C@](O)(c2ccccc2)C1 863500620 VBSBMCDTRCSQNV-OAHLLOKOSA-N 286.335 0.939 0 50 CCAA Cc1ccnc(N2CCC[C@H]2c2nc(C(N)=O)no2)n1 328628342 NQLCOSHWTZDSGJ-QMMMGPOBSA-N 274.284 0.608 0 50 CCAA C[C@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@@H](C)N1 154260097 KNPANKPCMSNBMI-GRYCIOLGSA-N 256.346 0.248 0 50 CCAA COc1cccc(C)c1C(=O)NC[C@@H]1CN(C)C(=O)CO1 218969502 PNIIHJMDFVDTDZ-LLVKDONJSA-N 292.335 0.591 0 50 CCAA C[C@@]1(O)CCCN(C(=O)NCCN2CCOCC2)CC1 331970819 JQQWNBQHFXNBIT-CQSZACIVSA-N 285.388 0.265 0 50 CCAA CN(Cc1ncc[nH]1)c1cc(C2CC(N)C2)nc(N)n1 219494351 ZWUUSNBMGRELCJ-UHFFFAOYSA-N 273.344 0.623 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 71730497 BKNYXBQSDGUXFR-HPCHECBXSA-N 293.367 0.109 0 50 CCAA O=C(O)C1(n2ccnc2)CCN(S(=O)(=O)C2CC2)CC1 72419159 DSKKXAKIDQWIBH-UHFFFAOYSA-N 299.352 0.251 0 50 CCAA CCn1cc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cn1 261720177 QZVOODHINYJDQV-VIFPVBQESA-N 273.314 0.141 0 50 CCAA COc1ccccc1CCN(C)C(=O)[C@@H]1COCCN1 237150702 JGTUCFLHVPQYAH-ZDUSSCGKSA-N 278.352 0.685 0 50 CCAA O=C(C[C@H]1COCCN1)N1CCNC[C@H]1c1ccccc1 333616841 RENIAIGZPDUPOD-GJZGRUSLSA-N 289.379 0.538 0 50 CCAA CO[C@H](C(=O)NCc1nc(=O)[nH][nH]1)c1ccccc1 215583222 JLMWBPROKKLUOH-JTQLQIEISA-N 262.269 0.102 0 50 CCAA CN(CCC(N)=O)C(=O)[C@H]1COc2ccccc2C1 286264152 RJOFWAXVGDDIQU-LLVKDONJSA-N 262.309 0.572 0 50 CCAA CN1C(=O)C[C@H](NC(=O)N(C)C2CCCC2)C1=O 287141190 BHEOTDFFKLYTFN-VIFPVBQESA-N 253.302 0.328 0 50 CCAA Cn1cnnc1CCNc1cc(C2CC(N)C2)nc(N)n1 223289933 MXEOHZQDPFLUMC-UHFFFAOYSA-N 288.359 0.047 0 50 CCAA CC[C@@H](C(=O)O)N1CCN(CC(F)(F)F)C(=O)C1 263583182 ZOXGELSMIBYHSC-ZETCQYMHSA-N 268.235 0.556 0 50 CCAA CC[C@@H](NC(=O)Cn1cnnn1)c1nccs1 131601043 GPQLTDBEOXXAGM-SSDOTTSWSA-N 252.303 0.397 0 50 CCAA CCCCN1CCN(C(=O)Cn2ccnc2)C[C@H](O)C1 97553228 AIPCNQVCNWEPPQ-CYBMUJFWSA-N 280.372 0.188 0 50 CCAA CC(=O)N1C[C@H]2CN(Cc3nccs3)C[C@@]2(C(=O)O)C1 96149294 XGHATYUOSYYXBJ-ZWNOBZJWSA-N 295.364 0.508 0 50 CCAA Cc1nn(C)c2nc(NCc3noc(C(N)=O)n3)sc12 96133291 CFODWCBJSGXGJM-UHFFFAOYSA-N 293.312 0.432 0 50 CCAA CCc1nc(C[C@H]2CN(c3ccncn3)CCO2)no1 92107405 NBVAVULLUXAEPA-JTQLQIEISA-N 275.312 0.870 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3C4C5[C@]6(CC(C)(C)C[C@@]516)[C@@H]2[C@@H]43 248336519 ORUGTCDEHZTCHZ-WZWCXTMESA-N 285.347 0.756 0 50 CCAA COC(=O)[C@@H]1[C@H](C(=O)OC)[C@H]2[C@@H]3[C@H]4[C@@H]5[C@H]([C@@H]14)[C@H]2[C@]35C 253596758 VTUWEGRJJIFTKA-ZTZONMSWSA-N 262.305 0.953 0 50 CCAA N[C@H]1CCN(C(=O)C2CCN(C3CCOCC3)CC2)C1 534653248 JRMGPMFEBVVEDF-ZDUSSCGKSA-N 281.400 0.437 0 50 CCAA O=C(COCC(F)(F)C(F)F)NCCn1cncn1 534635097 YHHNWSBAYLVOKP-UHFFFAOYSA-N 284.213 0.311 0 50 CCAA CCn1nccc1S(=O)(=O)N1CCC[C@@]2(CCNC2)C1 367473095 AVRRBLCJWVLFTJ-ZDUSSCGKSA-N 298.412 0.667 0 50 CCAA O=C(c1cc(C2CC2)[nH]n1)N1CCN2C(=O)OC[C@@H]2C1 371990814 GYONWHGGCKCGCS-VIFPVBQESA-N 276.296 0.564 0 50 CCAA CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O)Cc1cccnc1 299778565 HLZRPBWPOOXEIU-IMRBUKKESA-N 289.335 0.302 0 50 CCAA O=C(OCC1CCNCC1)N1CCC(F)(CO)CC1 575447776 UNCFMPIQHYNDBH-UHFFFAOYSA-N 274.336 0.919 0 50 CCAA O=C(NCC1CCN(C2CCCC2)CC1)c1n[nH]c(O)n1 828210072 MPINWXGEOIRNCA-UHFFFAOYSA-N 293.371 0.895 0 50 CCAA CCN1CCC(N[C@H]2COC[C@@H]2N2CCOCC2)CC1 823107057 IYILOAKDFFKEGE-GJZGRUSLSA-N 283.416 0.160 0 50 CCAA COc1ccc2ncn(C[C@H](O)CN(C)C)c(=O)c2c1 584902296 QOXCSCVSAMIDLB-SNVBAGLBSA-N 277.324 0.328 0 50 CCAA CN1C(=O)[C@@H]2CCC[C@H]1CN(c1ncnc3[nH]cnc13)C2 670458331 KPUOPQKJJBMPGJ-ZJUUUORDSA-N 286.339 0.800 0 50 CCAA CN(CC(=O)N1CCN(C)[C@H](CCO)C1)C1CCCC1 584897943 MEJIZSDYVPMVRG-CQSZACIVSA-N 283.416 0.386 0 50 CCAA COc1ccc(CN(C)C(=O)[C@@H]2CNCCN2C)cc1C 585136613 MYSPKIHXLNIRFU-AWEZNQCLSA-N 291.395 0.866 0 50 CCAA Cc1cc(N2CCC[C@@H](O)CC2)nc(N2CCOCC2)n1 670473660 WRRQCLPVIAECLA-CYBMUJFWSA-N 292.383 0.973 0 50 CCAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)S(C)(=O)=O 670449857 RSZSANZYSRXUJI-SECBINFHSA-N 262.375 0.525 0 50 CCAA CCC1=NO[C@@H](CN2CCC3(CC2)CN(C)C(=O)CO3)C1 670437017 DRXACVOMHSCYIK-CYBMUJFWSA-N 295.383 0.865 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@H](C(C)C)N1CCCC1=O 1875273295 MPLWTWCDJGIAOL-WXJAXGNASA-N 282.340 0.479 0 50 CCAA C[C@H]1CNCC[C@@H]1CNC(=O)c1ccc(C(=O)O)nc1 1875280213 ZZDLCYWFYSJACT-VHSXEESVSA-N 277.324 0.755 0 50 CCAA COC(=O)[C@H]1CCc2nnc(C(=O)N3CCCC3)n2C1 1771829798 DTHZINDHPMOOJG-VIFPVBQESA-N 278.312 0.250 0 50 CCAA N[C@H]1CN(C(=O)COCc2ccccn2)CC12CCC2 1775962546 RJPRCFMLWYXDCR-ZDUSSCGKSA-N 275.352 0.938 0 50 CCAA CCC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1N(C)C 1565505686 JPMLKHBXIKHHIK-JQWIXIFHSA-N 278.356 0.572 0 50 CCAA COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 85221782 OULNMKPQUKNAHO-IUCAKERBSA-N 259.302 0.777 0 50 CCAA in-vitro C[C@H](CO)NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 170617174 VDDYNJQZMPQGQT-SECBINFHSA-N 280.324 0.350 0 50 CCAA C=CC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C 585086930 UBARWGCAYGYNGO-RYUDHWBXSA-N 280.347 0.977 0 50 CCAA Cc1c[nH]nc1C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 585082361 JEZRMTDQXHBBRY-MRVPVSSYSA-N 271.342 0.414 0 50 CCAA Cc1nnc(N2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)o1 408473956 VLUWYWJFYVTHDN-MWLCHTKSSA-N 280.328 0.309 0 50 CCAA OCCOCCN(CCO)c1nc2ccccc2o1 413456857 PGZGXJCMJMBLSV-UHFFFAOYSA-N 266.297 0.635 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(CCc2ccncc2)C1 643809701 PZDPFMKIJLZUKA-MRXNPFEDSA-N 291.395 0.929 0 50 CCAA Cc1nc(C)c(C(=O)Nc2ncn(CC(=O)O)n2)s1 647780313 YUSLWIUXKAGPFR-UHFFFAOYSA-N 281.297 0.688 0 50 CCAA CCn1cc([C@H]2OCCC[C@@H]2NC(=O)CCCN)cn1 563956186 HYGBFSURHKPXLX-GXTWGEPZSA-N 280.372 0.978 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC1Cc2ccccc2C1 668507840 IKKOMLVWVJFMSJ-ZIAGYGMSSA-N 281.377 0.555 0 50 CCAA Cc1ncccc1C(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529184706 DOSFIWWHGPLDSU-IUODEOHRSA-N 298.346 0.856 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3[nH]nnc3C)C[C@H]2O)on1 1704342012 BNUNURHHXXCNLH-MWLCHTKSSA-N 291.311 0.085 0 50 CCAA CN(C)[C@H]1C[C@@H](NS(=O)(=O)c2ccnn2C)C1(C)C 585139409 WDTLOODFAKFBRK-ZJUUUORDSA-N 286.401 0.427 0 50 CCAA Cn1cccc1S(=O)(=O)N1C[C@@H]2[C@@H](CF)[C@@H]2C1 1614994195 PBSGBFFJGNMECR-OWUUHHOZSA-N 258.318 0.861 0 50 CCAA CCc1nc(C)c(CN(CCO)Cc2ncc[nH]2)[nH]1 1772703244 WGWZYFUPPTZRBB-UHFFFAOYSA-N 263.345 0.998 0 50 CCAA O=S1(=O)CC[C@H](NC(=S)NCc2ccccc2)C1 5376812 RHVBYESZCUWSJL-NSHDSACASA-N 284.406 0.838 0 50 CCAA Cc1ccc(CCC(=O)NS(=O)(=O)c2cnccn2)o1 152397187 APGANSIVHAKYPW-UHFFFAOYSA-N 295.320 0.816 0 50 CCAA CC[C@]12COC(=O)N1CCN(C(=O)c1nsnc1C)C2 1857677268 UEAHKWGQBYJUHW-LBPRGKRZSA-N 296.352 0.903 0 50 CCAA CCn1cnnc1CCNC(=O)[C@@H]1CCn2nccc2C1 1857729519 ORYKSDUSDZAYOX-LLVKDONJSA-N 288.355 0.416 0 50 CCAA C[C@@H]1CN(c2ncc(C(=O)O)cc2Cl)C[C@H](C(N)=O)O1 629767160 HTJNKHCKYFKGRK-HZGVNTEJSA-N 299.714 0.512 0 50 CCAA C[C@@H](c1ccccn1)N(C)C(=O)C1=NN2CCCN=C2N1 673925991 VKNMGKUODZTAQG-JTQLQIEISA-N 286.339 0.579 0 50 CCAA C=CC(=O)NCCC(=O)N[C@H]1CCn2ccnc2C1 1116675177 VCQYGNBKLSPCIG-JTQLQIEISA-N 262.313 0.006 0 50 CCAA CCCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 4149128 LNQRHBVRDLBJPZ-SNVBAGLBSA-N 262.375 0.574 0 50 CCAA NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1 124856519 SWDZMXRWCHCDQA-SNVBAGLBSA-N 287.316 0.114 0 50 CCAA CC(C)c1noc(CN(C)S(=O)(=O)N(C)C)n1 336697104 JGVXASKJIMHMHA-UHFFFAOYSA-N 262.335 0.431 0 50 CCAA COC[C@@]1(C(=O)NCc2[nH]cnc2C)CCCN1 649347893 LKARVZZAYQJCSF-GFCCVEGCSA-N 252.318 0.103 0 50 CCAA CC[C@@H](NC(=O)c1cccc(C)c1O)C(=O)NC 457026180 WLGDZGTXOHUQSG-SNVBAGLBSA-N 250.298 0.955 0 50 CCAA CC(C)Cn1cc(S(=O)(=O)N2CC[C@@H](O)C23CC3)cn1 2325783846 HFMNWGQSGVDSGG-GFCCVEGCSA-N 299.396 0.827 0 50 CCAA Cc1cc(S(=O)(=O)N2CCCC[C@H](O)C2)c[nH]c1=N 2325794508 DXSYPJBOYDLQLQ-JTQLQIEISA-N 285.369 0.338 0 50 CCAA CC(=O)SC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O 58134 ZNQRGUYIKSRYCI-VXNVDRBHSA-N 259.327 0.978 0 50 CCAA COC(=O)CSc1nc(N(C)C)nc(N(C)C)n1 472550 GUBARRBRXNCBPT-UHFFFAOYSA-N 271.346 0.269 0 50 CCAA O=C1CCC(=O)N1c1ccc(N2C(=O)CCC2=O)cc1 503602 DXOYNYBRZMHTBL-UHFFFAOYSA-N 272.260 0.993 0 50 CCAA O=C(CCCn1cccn1)N1CCC[C@@]12CCCNC2=O 2356135473 GQOUCWYUSOMAAJ-OAHLLOKOSA-N 290.367 0.935 0 50 CCAA CCC1(CCc2ccncc2)C(=O)NC(=O)NC1=O 2995321 MJLMKZSRIPQLJT-UHFFFAOYSA-N 261.281 0.777 0 50 CCAA Cn1ccnc1Nc1nccc(N2CCC[C@H](O)C2)n1 2356165626 LONBXMGIJZDIFF-JTQLQIEISA-N 274.328 0.915 0 50 CCAA COCCN1C(=O)[C@@H](CC(=O)OC)Oc2ccccc21 55098986 SIYWZPFBBOYLLQ-GFCCVEGCSA-N 279.292 0.990 0 50 CCAA CC1(C)C[C@@H](NC(=O)CNC(=O)c2cnccn2)CCO1 170621946 RQLSPOOWAZXIID-JTQLQIEISA-N 292.339 0.280 0 50 CCAA CCOC(=O)CON1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100697628 TYVSSPFEEBZLAP-OINDSLJFSA-N 265.265 0.288 0 50 CCAA COC(=O)[C@H]1C[C@@H](CO)CN1C(=O)OC(C)(C)C 113307625 CABWKOSZCAHYJE-RKDXNWHRSA-N 259.302 0.777 0 50 CCAA Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 20268342 RSIYXJOWRJIOEC-UHFFFAOYSA-N 299.396 0.269 0 50 CCAA N[C@]1(C(=O)O)CCN(CCn2c(=O)oc3ccccc32)C1 67772792 HIBQQYZXJVMTKX-CQSZACIVSA-N 291.307 0.082 0 50 CCAA C=Cc1ccc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC)cc1 67982224 BLOINOLDSNRHSV-STQMWFEESA-N 273.336 0.617 0 50 CCAA CC1(C)[C@H](NC(=O)NCC2(CO)CC2)[C@H]2CCO[C@H]21 230160685 OSQDCVKYIQALCA-GMTAPVOTSA-N 268.357 0.872 0 50 CCAA CC[C@@H](C(=O)O)N1CCC[C@@H](CN2CCOCC2)C1 240465938 GBPIJHBJWYMBBY-STQMWFEESA-N 270.373 0.894 0 50 CCAA O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCC[C@](O)(Cn2ccnn2)C1 328931265 HUORTGWMMGOKTO-UKTARXLSSA-N 290.367 0.678 0 50 CCAA Nc1nnc(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)s1 67955081 HCKYMYRRHBLNHY-RKDXNWHRSA-N 282.369 0.833 0 50 CCAA CC(C)c1cc(C(=O)N2CCO[C@H](C(=O)O)C2)n[nH]1 236600845 SBZSIAXPXGFEBZ-JTQLQIEISA-N 267.285 0.459 0 50 CCAA COCc1cc(CNC(=O)[C@@H]2CNCCO2)ccc1F 237196191 CFRJGOVYNHGOGV-ZDUSSCGKSA-N 282.315 0.577 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1C(=O)CCC1CCNCC1 367375485 TVLNQBWJKFBGSB-STQMWFEESA-N 271.380 0.925 0 50 CCAA Cc1ccn(-c2ccc(=NCC3[C@@H]4COC[C@@H]34)[nH]n2)n1 367732897 FDKNSXBOZCHOHY-RYUDHWBXSA-N 271.324 0.697 0 50 CCAA Cc1noc2ncnc(N3CC[C@]4(CNC(=O)C4)C3)c12 374485628 ALJPVBMCPPDZFW-ZDUSSCGKSA-N 273.296 0.643 0 50 CCAA CCN1CCN([C@@H]2CCN(CCn3ccnc3C)C2)CC1 336835563 JOWOFJFRUOZJAH-MRXNPFEDSA-N 291.443 0.903 0 50 CCAA Cc1nnnn1CCCN1CCC[C@@](O)(CN(C)C)CC1 72130876 ANTXIQDOXOSAAM-AWEZNQCLSA-N 296.419 0.150 0 50 CCAA CC[C@H](NC(=O)c1cnc(O)cn1)c1ncnn1C 223176497 UQUXHKHDOULTRV-ZETCQYMHSA-N 262.273 0.192 0 50 CCAA O=C(Cn1ccc(=O)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 221283921 LSMAFUVXLWGPGT-GFCCVEGCSA-N 286.335 0.978 0 50 CCAA CNC(=O)[C@@H]1CCCN1Cc1ccc(-n2ccnc2)nc1 177268262 HNBVRYBTLUUESP-ZDUSSCGKSA-N 285.351 0.978 0 50 CCAA Cc1ccc(C)c(CC(=O)NCCN2CCNC2=O)c1 222608130 JLNXIRJWTARQFM-UHFFFAOYSA-N 275.352 0.987 0 50 CCAA COCCc1noc(CN(C)C(=O)[C@@H](O)C(C)C)n1 220033477 KCAZXMDWIYSKIX-NSHDSACASA-N 271.317 0.234 0 50 CCAA Cn1nnnc1SCCNC(=O)[C@@H]1CC=CCC1 223276261 BIQBYBQVJRXXFD-SECBINFHSA-N 267.358 0.775 0 50 CCAA CCCn1ccnc1CN1CCN(CC(=O)O)C(=O)C1 534664689 SGSDNNSGINYFFV-UHFFFAOYSA-N 280.328 0.022 0 50 CCAA COCC(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 95392360 CHFCCWHHGCVQPM-CYBMUJFWSA-N 294.399 0.797 0 50 CCAA CCc1nnc(CN(CC)C(=O)[C@H]2CC(=O)N(CC)C2)o1 92037839 FDIWMDIJBRGYKD-JTQLQIEISA-N 294.355 0.849 0 50 CCAA CC[C@H](C(=O)NCC(=O)NC(C)C)n1cccn1 91620954 UJOWXTHLTPZLMB-SNVBAGLBSA-N 252.318 0.475 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)CN2CCCC2=O)C1 91678750 ZHQWZGWIRBFJFH-HNNXBMFYSA-N 298.383 0.246 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2cnc3c(c2)CCCC3)CCO1 534586007 YHUOTENDEVFDOM-CYBMUJFWSA-N 290.319 0.886 0 50 CCAA COCCn1cncc1CNC(=O)[C@]1(C)CC(C)=NO1 299797930 DBAXZSJWWXMUMM-ZDUSSCGKSA-N 280.328 0.701 0 50 CCAA CC[C@@H](C(=O)N(C)CC1(CO)CCC1)N1CCOCC1 584904105 WKWYPPRSTVZXSY-ZDUSSCGKSA-N 284.400 0.718 0 50 CCAA CCOC1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 584894456 YRDJVYKELNQMTR-NSHDSACASA-N 269.345 0.557 0 50 CCAA COc1c(C(=O)N2CCC[C@H](C(=O)O)C2)c(C)nn1C 165378351 ZNIASBHEVCIFAI-VIFPVBQESA-N 281.312 0.674 0 50 CCAA O=C1NC[C@@H](C(=O)N2CCC[C@@H]3NCC[C@@H]32)c2ccccc21 1875311988 FNIADZQRHZQFBE-ILXRZTDVSA-N 299.374 0.867 0 50 CCAA C=CC(=O)N[C@@H]1CS(=O)(=O)[C@@H]1c1ccccc1 1875375771 IAMAIQMSDFGPKR-ZYHUDNBSSA-N 251.307 0.827 0 50 CCAA Cn1cccc1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875284547 ZCTUPLZOJPMRMY-ULHKAFAUSA-N 296.348 0.253 0 50 CCAA CCCS(=O)(=O)N(C)C[C@@H]1CC(=O)N(CC)C1 952991876 WUGBZFMRJSPXOU-JTQLQIEISA-N 262.375 0.526 0 50 CCAA O=C(COc1ccccc1F)N1CC(N[C@@H]2CCOC2)C1 1362979486 IRYQGIPJYHOBLE-LLVKDONJSA-N 294.326 0.794 0 50 CCAA CC(C)(C)OC(=O)NC[C@@]1(C(=O)O)C[C@H]1S(C)(=O)=O 585139550 WWGZCQOWPXEVQH-HQJQHLMTSA-N 293.341 0.399 0 50 CCAA Cc1cnc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c(O)c1 407999207 VDGSLCZOJDICPP-SECBINFHSA-N 263.297 0.446 0 50 CCAA C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccccn1 195555181 FCKLUGLMINZLSO-WDEREUQCSA-N 269.370 0.972 0 50 CCAA CNC(=O)NC(=O)CSc1nncn1Cc1ccco1 198347701 BNJJLTSMPDOZHY-UHFFFAOYSA-N 295.324 0.467 0 50 CCAA CNC(=O)c1noc(CNC2CSCCSC2)n1 1506412890 PHEADCXIIJGBSE-UHFFFAOYSA-N 288.398 0.367 0 50 CCAA C[C@@H]1CN(S(N)(=O)=O)C[C@@H](c2ccsc2)O1 110681950 MWHFUBVLVBMLFY-APPZFPTMSA-N 262.356 0.713 0 50 CCAA C[C@@H](C(=O)Nc1nnc(C(C)(C)C)s1)S(N)(=O)=O 1615055482 NZBMCXCSCCSGQS-YFKPBYRVSA-N 292.386 0.451 0 50 CCAA COc1ccc(C)nc1N1CCC[C@](O)(CO)C1 1857671746 NVCNAZFBWKTDJE-CYBMUJFWSA-N 252.314 0.722 0 50 CCAA O=C(c1ccc2c(c1)OCO2)N1CCC([C@H](O)CO)CC1 1772709479 NVFZUJGWBRGYCA-GFCCVEGCSA-N 293.319 0.621 0 50 CCAA c1cncc(C(N2CCOCC2)N2CCOCC2)c1 19300845 VOMVEDFXVDERHK-UHFFFAOYSA-N 263.341 0.745 0 50 CCAA CS(=O)(=O)N1CCN(Cc2ccccc2)CC1 19597019 CKKQEWFEZNDPLJ-UHFFFAOYSA-N 254.355 0.764 0 50 CCAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc2nnnn12 1857690415 BMDSFELRBOENPI-GHMZBOCLSA-N 286.339 0.433 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCCCc2cccnc2)C[C@H]1O 1857735972 DVHXBVYLSKBWER-YNEHKIRRSA-N 263.341 0.229 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)n(C)c1 408085408 ZMQIRHGEJQCWNH-LLVKDONJSA-N 277.324 0.126 0 50 CCAA O=C(Nc1cnn2ccccc12)N1C[C@H](O)C[C@H]1CO 640366802 WKJASJCINOWKOG-VHSXEESVSA-N 276.296 0.294 0 50 CCAA COc1ccc(CNC(=O)CN2C[C@@H](F)C[C@H]2CO)cc1 346347990 BCOFGNXVCUXYHR-STQMWFEESA-N 296.342 0.716 0 50 CCAA Cn1ncc(C(=O)N2C[C@H]3CCC[C@H]3C2)c1-n1cnnc1 357396212 QYFIDQZMGWUDGD-PHIMTYICSA-N 286.339 0.873 0 50 CCAA CN1CCOC[C@H]1C(=O)N1CC(Oc2ccccc2)C1 679633417 GIHPBUCMAUOGFD-AWEZNQCLSA-N 276.336 0.607 0 50 CCAA Cc1nc(C)n(C[C@@H]2CCCN2C(=O)[C@@H]2CCNC2)n1 372102666 PQVLZBODQSHKOB-OLZOCXBDSA-N 277.372 0.495 0 50 CCAA Cc1cc(O)cc(=O)n1CC(=O)N1CCOC[C@@H](C)C1 374352308 CHWFKECTOJIHRO-JTQLQIEISA-N 280.324 0.357 0 50 CCAA N[C@@H]1CCCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 158013478 AOQJXMPXRANJQX-LLVKDONJSA-N 289.314 0.970 0 50 CCAA O=C(O)COCC(=O)N1CCc2cccc(F)c2C1 843328771 NSXVWGBCBNYADJ-UHFFFAOYSA-N 267.256 0.812 0 50 CCAA COc1nccc(C(=O)NC[C@H]2CCN(C)C(=O)C2)n1 823199037 XOMHJJHPJKQPDH-VIFPVBQESA-N 278.312 0.083 0 50 CCAA C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)N[C@@H]1CCC(=O)NC1=O 228005850 WNTRTDIYUQFADW-LMLFDSFASA-N 281.356 0.169 0 50 CCAA Nc1ccncc1C(=O)N1CCN2CCCC[C@H]2C1 128137932 OBYXXSMEGCOIMM-NSHDSACASA-N 260.341 0.974 0 50 CCAA O=S(=O)(NC1(CO)CCC1)c1ccc2c(c1)OCCO2 164268893 KSGSKSSMBOGAOU-UHFFFAOYSA-N 299.348 0.651 0 50 CCAA C[C@@H](CN1[C@H]2CC[C@H]1CC(=O)NC2)CS(C)(=O)=O 407949656 VCQQNAFUONHNDB-DCAQKATOSA-N 274.386 0.020 0 50 CCAA Cc1c[nH]ccc1=NC(=O)[C@H](CN)C1CCOCC1 864758334 ZDDVEDHKPXGQOV-GFCCVEGCSA-N 263.341 0.752 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)CCN1Cc1cccc(O)c1 1616102732 VRTNVLTYZUXVCW-NEPJUHHUSA-N 251.282 0.802 0 50 CCAA O=C(Nc1cccc(Cl)c1)NC(CO)(CO)CO 140788 BTKTXJRUNOTIKU-UHFFFAOYSA-N 274.704 0.177 0 50 CCAA CC(=O)Nc1cc2c(cc1NC(C)=O)n(C)c(=O)n2C 369315 FHQAKZBATDRZRF-UHFFFAOYSA-N 276.296 0.794 0 50 CCAA Cc1cc(N2CCC3(CC2)OCCO3)c2nncn2n1 4770649 LMFUIIDOYQJGGD-UHFFFAOYSA-N 275.312 0.776 0 50 CCAA CCOC(=O)c1cc(C(=O)OCC)n(CC(C)=O)n1 6804666 JKXSKJQHYGBMCX-UHFFFAOYSA-N 268.269 0.826 0 50 CCAA Cn1nnnc1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F 225501323 UAALGZHJGULPKF-SKDRFNHKSA-N 295.293 0.796 0 50 CCAA COCCNC(=O)c1c(O)c2ccccc2n(C)c1=N 101052609 VTWWUDHLHAOUFE-UHFFFAOYSA-N 275.308 0.740 0 50 CCAA Cc1ccc(OCCN(C)C[C@H](O)CO)c(C)c1 55042447 ZHSNBZCCDQRLML-ZDUSSCGKSA-N 253.342 0.967 0 50 CCAA COC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 135528549 LDOUHSZUDVXTHM-BJDJZHNGSA-N 265.309 0.599 0 50 CCAA CCNC(=O)CN1CCN(C(=O)C2(C)CC2)CC1 120664821 ZFEXJQGSCZAJPT-UHFFFAOYSA-N 253.346 0.067 0 50 CCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@H](N)C1 122734055 UGSNZCOXFZDRFV-SSDOTTSWSA-N 278.765 0.104 0 50 CCAA O=C(C1CC1)[C@H]1CN(C(=O)Cc2cncs2)CCO1 328674348 JSYRODNSJRAZGO-LLVKDONJSA-N 280.349 0.892 0 50 CCAA CCN1C[C@@]2(C(=O)O)CN(Cc3ccccn3)C[C@H]2C1=O 72454624 FGZBEMCHDCRBGH-WFASDCNBSA-N 289.335 0.447 0 50 CCAA C[C@H]1CNCCN1C(=O)[C@@H]1Cc2cccc(F)c2O1 126386610 ANYDEZQHWONQBL-CABZTGNLSA-N 264.300 0.950 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2ncc(F)cc2F)C[C@H]1O 72432657 PYTFVUBXGZARLI-ZWNOBZJWSA-N 286.278 0.708 0 50 CCAA Cc1ccn(-c2ccc(=NC[C@H]3[C@@H]4COC[C@H]34)[nH]n2)n1 367732896 FDKNSXBOZCHOHY-CNDDSTCGSA-N 271.324 0.697 0 50 CCAA Cc1cccc(NC(=O)C(=O)N2CC[C@H](O)[C@@H](O)C2)c1C 72151335 JVHBAQDHPNQAFN-STQMWFEESA-N 292.335 0.196 0 50 CCAA COC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1 34792207 FQJMCGFRMREGCH-UHFFFAOYSA-N 284.337 0.067 0 50 CCAA Nc1nc(NCC(=O)N2CCCC2)cc(C2CC(N)C2)n1 219073595 IXSJJMUHKLEVMM-UHFFFAOYSA-N 290.371 0.298 0 50 CCAA O=C(C[C@@H]1CCOC1)N1CCC(O)(Cn2ccnc2)CC1 426541567 SBFIYANVTDGXES-ZDUSSCGKSA-N 293.367 0.663 0 50 CCAA O=C(NCc1cccc(F)c1)NC[C@@]1(O)CCCNC1 426401626 DVLZPKAFOQLHHZ-CQSZACIVSA-N 281.331 0.739 0 50 CCAA CSCC[C@H](NC(=O)CCn1ccc(C)n1)C(=O)O 426613591 HNOXBEVGSXIGRA-JTQLQIEISA-N 285.369 0.904 0 50 CCAA CN1CCN(C)[C@H](CNc2ncc(Cl)cn2)C1 93538104 AMDVDAFJSSWAJS-SNVBAGLBSA-N 255.753 0.788 0 50 CCAA COC[C@@H](NC(=O)c1cc(C(C)C)nn1C)C(=O)O 95507160 OPLNFOVKRHUZJT-SECBINFHSA-N 269.301 0.373 0 50 CCAA Nc1cc(-c2ccccc2CO)nc(N2CCOCC2)n1 426379712 LRGNBTDENNDIDZ-UHFFFAOYSA-N 286.335 1.055 0 50 CCAA Cn1cnn(CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1=O 181901081 GFJJDHVOAKYHBE-LLVKDONJSA-N 290.327 0.059 0 50 CCAA CCc1nc(C)sc1C(=O)N(C)C[C@@H](O)CO 97294979 YFKWACHJXGTYFU-MRVPVSSYSA-N 258.343 0.439 0 50 CCAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3CCCN3)C2)no1 237772923 SCAZWSNMSFBAEA-NWDGAFQWSA-N 278.356 0.911 0 50 CCAA Cn1cc([C@H](NC(=O)C2CCOCC2)[C@H]2C[C@@H](O)C2)cn1 243956911 CEGMWEVSLDGJQY-KWCYVHTRSA-N 293.367 0.775 0 50 CCAA CN1CCCN(c2cc([C@H]3C[C@@H](O)C3)ncn2)CC1 240203809 JTPNJSARNWCSGM-TXEJJXNPSA-N 262.357 0.857 0 50 CCAA Cn1cc(CCC(=O)NCc2ccc(C(=O)O)o2)cn1 262188161 TZUUWBRNOCTRBI-UHFFFAOYSA-N 277.280 0.960 0 50 CCAA C[C@@H](CN1CCCC1)C(=O)NCCc1cc[nH]n1 534577648 PMZRGIVKMLJSQA-NSHDSACASA-N 250.346 0.800 0 50 CCAA C[C@H](CC(F)(F)F)NCc1noc(C(N)=O)n1 534642709 PEIJLDUVCNDUMO-SCSAIBSYSA-N 252.196 0.599 0 50 CCAA CO[C@H]1CCCN(c2nc(N)c3cnn(C)c3n2)C1 278445106 RAJZPJIUPLPRRY-QMMMGPOBSA-N 262.317 0.561 0 50 CCAA CN1CC[C@@H](NS(=O)(=O)CCOc2ccccc2)C1=O 290716087 JYRXUMJTPQKTNE-GFCCVEGCSA-N 298.364 0.216 0 50 CCAA Nc1cc(O)nc(CCNC(=O)c2cccn2C2CC2)n1 584885680 GDNCHAFJGCMEQP-UHFFFAOYSA-N 287.323 0.873 0 50 CCAA CN1CCC(CNC(=O)c2csc(N)n2)(N(C)C)CC1 584886965 QGDVGBKGSWSSMJ-UHFFFAOYSA-N 297.428 0.481 0 50 CCAA CNC(=O)c1noc(CNC(=O)C[C@@H]2C=CCC2)n1 584898293 NXVLSIGWRKJGOB-MRVPVSSYSA-N 264.285 0.402 0 50 CCAA COC(=O)N[C@H](C)C(=O)N1CCC(Cn2ccnc2)CC1 584897603 PFVOUHGUEXHFNA-LLVKDONJSA-N 294.355 0.866 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)N1CCC(c2ccno2)CC1 1875401391 WXKFGNOYUKUMAQ-VXGBXAGGSA-N 279.340 0.351 0 50 CCAA CC(C)N1CCC(NCc2nc(N(C)C)n[nH]2)CC1 1875268883 WPYDBXGKMHRWPK-UHFFFAOYSA-N 266.393 0.833 0 50 CCAA COC[C@](C)(NC(=O)c1ccc(C(=O)O)cc1F)C(N)=O 1875262365 KWTLFAYUGUGZRW-ZDUSSCGKSA-N 298.270 0.144 0 50 CCAA Cn1nnc2c(=O)n(C[C@H]3CCC4(CCC4)O3)cnc21 882175501 SDQFLMSCNKRKNY-SECBINFHSA-N 275.312 0.627 0 50 CCAA CC(=O)N1C[C@H](NS(C)(=O)=O)CC[C@@H]1C(F)(F)F 886033083 BKSHPKIDIHUPKV-HTQZYQBOSA-N 288.291 0.477 0 50 CCAA CC(C)n1cc(CN2C[C@H](n3ccnn3)[C@H](N)C2)cn1 1775959512 CSINAZBMYJZEFU-OLZOCXBDSA-N 275.360 0.440 0 50 CCAA Cn1cc(C(=O)NCc2c(C(=O)O)[nH]c3ccccc23)nn1 1776003501 UTVATVPZNJDYJS-UHFFFAOYSA-N 299.290 0.925 0 50 CCAA O=C1CC[C@@H]2CN(c3cc4c(O)ncnc4cn3)CCN12 1776006703 TYEWBPQWHIWLGE-SECBINFHSA-N 285.307 0.541 0 50 CCAA CC(C)(C)c1ncnn1C[C@@H](O)C1(O)CCOCC1 899886497 IVLCWIXXWGKWAB-SNVBAGLBSA-N 269.345 0.478 0 50 CCAA CC[C@H]1[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H]2CCO[C@@H]12 1565531457 SBFCHSYOUYTKCP-FQPOAREZSA-N 277.324 0.324 0 50 CCAA C=CC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 390834529 AOXBRABXEAPRCF-ONGXEEELSA-N 259.327 0.025 0 50 CCAA Nc1nccnc1C(=O)N[C@]1(C(=O)O)CCc2ccccc21 678979139 QMOMCTSSURNVFE-OAHLLOKOSA-N 298.302 0.715 0 50 CCAA N=c1nc(O)cc([C@@H]2CCN(C(=O)CC(F)(F)F)C2)[nH]1 630721718 IWRCQEJVGAFUNH-ZCFIWIBFSA-N 290.245 0.863 0 50 CCAA CN1CCO[C@@H]2CN(c3nc(C4CCC4)no3)C[C@@H]21 515986741 MESFTCZQMRXHDE-WDEREUQCSA-N 264.329 0.856 0 50 CCAA C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CCN1 187153575 JIANXSYYOVRHTH-SNVBAGLBSA-N 272.345 0.949 0 50 CCAA Cc1cnccc1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 187446785 KLAWUVQQXBZLOK-LBPRGKRZSA-N 299.334 0.782 0 50 CCAA C=CC(=O)N1CCC(NC(=O)c2ccncc2)CC1 408526053 OSDHIJBLDVTPSD-UHFFFAOYSA-N 259.309 0.988 0 50 CCAA Cc1nc(C(=O)N[C@H](C)C(=O)NCc2ccco2)n(C)n1 225395216 BWLBQFFKRMPMQA-MRVPVSSYSA-N 291.311 0.151 0 50 CCAA CS(=O)(=O)CCN1C(=O)C[C@H](Cc2ccccc2)C1=O 191399581 LQBKRHTVWFVLPS-LBPRGKRZSA-N 295.360 0.649 0 50 CCAA O=C(O)[C@H]1CC[C@@H](S(=O)(=O)N2CCSCC2)C1 712860106 STQRLRFJCDNUHT-DTWKUNHWSA-N 279.383 0.618 0 50 CCAA COC[C@@H]1CN(Cc2nncn2C)CC(C)(C)O1 570231291 QOWYFFFSRIBSTA-JTQLQIEISA-N 254.334 0.441 0 50 CCAA CNC[C@@H]1CCCN(C(=O)c2nc[nH]c3nccc2-3)C1 662391990 NINDLQKZJYCQCP-JTQLQIEISA-N 273.340 0.981 0 50 CCAA CCCN1C(=O)N[C@H](CC(=O)N(C)CC(C)(C)CO)C1=O 1506430128 WLWFPNZOZFWBJQ-SNVBAGLBSA-N 299.371 0.184 0 50 CCAA O=C(O)[C@@H]1C[C@H](NC2CSCCSC2)CN1 1506423326 VVZLGHIGPWDAQO-CBAPKCEASA-N 262.400 0.240 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CCN1Cc1cccc2nonc12 210009094 ANAKHYTZIVIYMT-PWSUYJOCSA-N 291.307 0.721 0 50 CCAA CC[C@@]1(C(N)=O)CCCN(c2cncc(C(=O)O)n2)C1 1529106926 UQHXNWRDFMTACU-CYBMUJFWSA-N 278.312 0.657 0 50 CCAA O=C(CCC(F)(F)F)N1C[C@H]2CNC[C@]2(CO)C1 1772701040 HCUPORQSVKWQCA-PSASIEDQSA-N 266.263 0.369 0 50 CCAA O=C1C[C@H](C(=O)Nc2cccc(F)c2)n2ncnc2N1 13132379 DRVQDMGVFQLRRH-SECBINFHSA-N 275.243 0.939 0 50 CCAA Cc1ccc(N)cc1B(O)OC(C)(C)C(C)(C)O 169988484 UNGSBFZNGVKJLJ-UHFFFAOYSA-N 251.135 0.831 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(C)CC3)n[nH]c21 1857529351 WMUQHAUEFYINNN-ZJUUUORDSA-N 278.356 0.820 0 50 CCAA Cn1c(=O)nc(O)c2nc(C=Cc3ccccc3)c(=O)[nH]c21 1857532391 RLYPSMSVNQEEGY-UHFFFAOYSA-N 296.286 0.893 0 50 CCAA O=C(Cc1cc[nH]n1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1857718678 NWKVXJJKDWTGBH-BXUZGUMPSA-N 286.335 0.409 0 50 CCAA O=C([C@@H]1C[C@]12CCOC2)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 329076436 CDGIBUFZSUBUFX-SGPHBRAGSA-N 295.379 0.801 0 50 CCAA C[C@H](CNC(=O)c1ccc2c(c1)nnn2C)C(=O)O 237503035 BLCOWUXIZJXRNX-SSDOTTSWSA-N 262.269 0.419 0 50 CCAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N(CC(=O)O)C1CCOCC1 653558394 YHFQXKIPEUVQFF-OPQQBVKSSA-N 285.340 0.892 0 50 CCAA COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)NC1CC1 248786422 CQEACCCYZUAHMJ-NDMJEZRESA-N 266.341 0.539 0 50 CCAA O=C1CC[C@@H](NCC2(O)CCCC2)[C@H]([C@@H]2CCCO2)N1 905494927 GGPYHCCEYRFDSK-MBNYWOFBSA-N 282.384 0.707 0 50 CCAA O=S(=O)(c1cccc(O)c1)N1C[C@@H]2CC[C@H](C1)N2 1875298434 AFBCIZDEVYPJDT-AOOOYVTPSA-N 268.338 0.517 0 50 CCAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccc2nn[nH]c2c1 1074615545 OASDYYUNRRRBNP-MKPLZMMCSA-N 258.281 0.865 0 50 CCAA CC1(C)[C@@H](NC(=O)c2nccn3nccc23)C[C@H]1CN 2325800023 HOKDEAKDGLOPCR-ONGXEEELSA-N 273.340 0.833 0 50 CCAA CC(C)(O)C(=O)N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21 2325869956 DAXYIQWURKKTHW-NSHDSACASA-N 287.323 0.741 0 50 CCAA Cc1ccc(NC(=O)C[C@H]2NCCNC2=O)cc1C 542436 ZAENETAFAOJBJZ-GFCCVEGCSA-N 261.325 0.720 0 50 CCAA CCn1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cn1 6726592 UXJJYOFFQNITGZ-NXEZZACHSA-N 273.358 0.701 0 50 CCAA CCOC(=O)N1CCC(NCCN2CCOCC2)CC1 20056403 GUCVBWOTXNQJLC-UHFFFAOYSA-N 285.388 0.529 0 50 CCAA C[C@@H]1C(=O)N(C)CCN1C(=O)COCc1ccccc1 67649476 FELQYAXJWDFVCP-GFCCVEGCSA-N 276.336 0.892 0 50 CCAA OCCN1CCN(C[C@@H](O)COc2ccccc2F)CC1 20294297 LYVMZVTVWDWCEE-CYBMUJFWSA-N 298.358 0.175 0 50 CCAA CS(=O)(=O)N1CCO[C@@H](CNC2CCCC2)C1 65373877 WHNGBNWXQJQDSW-NSHDSACASA-N 262.375 0.179 0 50 CCAA COc1ccc([C@@H]2C[C@H]2NC(=O)[C@H]2CNC(=O)N2)cc1 252512650 UEDLFNIFVLRAMO-QJPTWQEYSA-N 275.308 0.349 0 50 CCAA CCCn1cc(C(=O)N2CCC[C@@](O)(CO)C2)c(C)n1 72142155 MZESSAYUOONASA-AWEZNQCLSA-N 281.356 0.561 0 50 CCAA COc1ccc(CNC(=O)c2cccn3c(O)nnc23)nc1 444476700 HNYJLEHLSMYRDK-UHFFFAOYSA-N 299.290 0.769 0 50 CCAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)NC(N)=O 360707328 JGISBCCUALYWKI-ZJUUUORDSA-N 279.344 0.747 0 50 CCAA Cc1nc(N2CCN(C(=O)[C@@H](C)N)CC2)sc1C 157987415 VPLFTQOFVZDQMN-MRVPVSSYSA-N 268.386 0.756 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)/C=C/c1ccco1 128249159 FJCJBRDNDCSANN-HMDXOVGESA-N 265.265 0.995 0 50 CCAA CSCCN1CCN(C(=O)c2cccn(C)c2=O)CC1 216502549 DQWAWISMCSPOFC-UHFFFAOYSA-N 295.408 0.506 0 50 CCAA CNCC(=O)N(C)CCc1nc2ccc(OC)cc2[nH]1 71754065 RYZDQBNYPFZJSB-UHFFFAOYSA-N 276.340 0.792 0 50 CCAA O=C(CN1C[C@@H](F)C[C@H]1CO)N1CCCCCC1 335831878 WEBFUOSDZHOBAL-RYUDHWBXSA-N 258.337 0.794 0 50 CCAA Cc1csc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)n1 75716807 YSHXCVWTGOPREF-VIFPVBQESA-N 288.394 0.545 0 50 CCAA O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@H]2CNC[C@H]21 77386676 HOSGZDNEWYOBRZ-JOYOIKCWSA-N 284.319 0.357 0 50 CCAA COC[C@@H]1[C@@H](NC(=O)Cc2nonc2C)[C@@H]2CCO[C@@H]21 222511285 WDEKUVZSTJNBPY-FQPOAREZSA-N 281.312 0.087 0 50 CCAA CCc1nc(C)c(C(=O)N[C@@H]2CCN(C)C2=O)o1 293053940 BGQCFTLRXILEKU-MRVPVSSYSA-N 251.286 0.506 0 50 CCAA O=C1NCCN1CCNc1cc(C2CC(O)C2)ncn1 220133901 OMYFHIHTELNXNM-UHFFFAOYSA-N 277.328 0.152 0 50 CCAA CC[C@H]1CN(C)CCCN1C(=O)CCc1cn(C)nn1 614329250 DOQZOUVRPJATQS-ZDUSSCGKSA-N 279.388 0.690 0 50 CCAA CC[C@@H](Sc1nnc(CNC)n1C)C(=O)N(C)C 426699889 HRNMFLWDHYLKAN-MRVPVSSYSA-N 271.390 0.493 0 50 CCAA NC(=O)N1CCC[C@H](C(=O)N2CC(c3cccnc3)C2)C1 92022787 QCLLKZAXAUIEHI-LBPRGKRZSA-N 288.351 0.798 0 50 CCAA O=C(O)Cn1nc(-c2ccccc2)nc1-c1c[nH]c(=O)cn1 97797287 QQUASHKXFOUDHT-UHFFFAOYSA-N 297.274 0.780 0 50 CCAA CC(=O)N1CCC(CNc2ccnc(C(N)=O)c2)CC1 184001330 BXIGUODOVNIEDC-UHFFFAOYSA-N 276.340 0.851 0 50 CCAA Nc1c[nH]nc1[C@H]1CCN(C(=O)CN2CCCCC2=O)C1 864376210 IZZVASSUMCMXHA-JTQLQIEISA-N 291.355 0.320 0 50 CCAA O=C(O)CCCNC(=O)NC[C@H](O)Cc1ccccc1 263376437 BYESZTBYALDYHL-GFCCVEGCSA-N 280.324 0.754 0 50 CCAA CCC(C)(C)C(=O)N[C@H]1COC[C@@H]1N1CCOCC1 534644833 YIWRIFCHGCFQLR-RYUDHWBXSA-N 270.373 0.638 0 50 CCAA CC(C)Cc1noc(CNC(=O)CN2CCC[C@H](O)C2)n1 299783631 WDRLSPPIXHINKC-NSHDSACASA-N 296.371 0.341 0 50 CCAA COc1cc(CCNC(=O)[C@H]2COCCO2)cc(OC)c1 299760844 RQJIIBWGDKUPNQ-CQSZACIVSA-N 295.335 0.778 0 50 CCAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cnn[nH]1 584891226 HEVRBEOAXRITRF-JTQLQIEISA-N 291.355 0.668 0 50 CCAA Cc1ncncc1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 584886122 JPAFMEOPUAXURR-JTQLQIEISA-N 274.324 0.526 0 50 CCAA CN(C[C@@H]1CC1(C)C)C(=O)CCCn1cnnn1 670437808 LTGZCHSMHDYSGT-JTQLQIEISA-N 251.334 0.958 0 50 CCAA CCO[C@H](C(=O)OCc1nnn(C)n1)C1CCOCC1 869877392 VELPTSFSYUKVHC-NSHDSACASA-N 284.316 0.085 0 50 CCAA O=C(NC[C@@H]1CCCCN1C(=O)CO)c1ccccc1 270840297 VMPWHLPLMOBWBC-ZDUSSCGKSA-N 276.336 0.790 0 50 CCAA CC(=O)N[C@@H]1CC12CCN(CC1(O)CCC1)CC2 952892768 CUFUEBLMICMWGG-GFCCVEGCSA-N 252.358 0.892 0 50 CCAA Cn1ncnc1N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 952889519 BCVCFKGJZMGBJZ-WDEREUQCSA-N 279.344 0.064 0 50 CCAA NC(=O)N1CCC[C@@H](C(=O)N2CCCc3n[nH]cc32)C1 1875265396 QNDQPYSTHPJJLB-SECBINFHSA-N 277.328 0.480 0 50 CCAA COC1(C(=O)N(C)Cc2nc(O)n[nH]2)CCCC1 1875296476 YYIXEIRGDRTAAT-UHFFFAOYSA-N 254.290 0.428 0 50 CCAA CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@](O)(CO)C1 1875272833 DCZQDRARJRBUKR-IUODEOHRSA-N 297.326 0.939 0 50 CCAA CN1CC[C@@H](n2cc(CNCc3ccco3)nn2)C1=O 1875266993 DVHBKHHCHYLTID-GFCCVEGCSA-N 275.312 0.564 0 50 CCAA O=C(NCCc1cc[nH]n1)[C@@H]1CCCc2c[nH]nc21 1875278554 LEZDGOVXDPYQGT-LLVKDONJSA-N 259.313 0.912 0 50 CCAA O=C(C[C@@H]1CCNC1=O)Nc1ccc2c(=O)[nH]ccc2c1 880671121 GYXPXNHVSBCMKB-JTQLQIEISA-N 285.303 0.993 0 50 CCAA OCc1ccc(CN2CC[C@](O)(Cn3ccnn3)C2)cc1 671553431 RPLVUVYIFZESQS-OAHLLOKOSA-N 288.351 0.407 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)COCC1CCCC1 582344364 ILVRWPLEXIIXQP-NSHDSACASA-N 268.357 0.930 0 50 CCAA CC(C)(C)OC(=O)[C@H]1C[C@H](n2ccnn2)[C@H](N)C1 675050848 UIIHLQIYHBLSOW-BBBLOLIVSA-N 252.318 0.898 0 50 CCAA Cn1ncc2c(=O)n(Cc3cc(F)cc(F)c3)nnc21 188221879 GAMDKHKOLXANGB-UHFFFAOYSA-N 277.234 0.852 0 50 CCAA COC[C@@H]1CN(CC2(O)CCOCC2)CC(C)(C)O1 408028009 BZZFHHRVYXYWMR-LBPRGKRZSA-N 273.373 0.654 0 50 CCAA CC(C)[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@@H]1CC1(C)C 408360202 YOBINQLWGRPJOO-NXEZZACHSA-N 276.402 0.817 0 50 CCAA Cc1nc2ncnn2c(N2Cc3cnn(C)c3C2)c1C 641677194 YPRWJSYVVVHCSG-UHFFFAOYSA-N 269.312 0.995 0 50 CCAA CCOCCN(C)C[C@@](O)(C(N)=O)c1ccccc1 408524287 RZQRMPVMQDQSKN-AWEZNQCLSA-N 266.341 0.328 0 50 CCAA Cc1ccc(C(=O)O)c(NCC2(O)CCN(C)CC2)n1 688784870 YCMFMSBQVHMTNZ-UHFFFAOYSA-N 279.340 0.957 0 50 CCAA Cn1ccnc1CN1C[C@H](O)[C@H](Cc2ccncc2)C1 1529098399 DNMCPZLDFXHYOH-KGLIPLIRSA-N 272.352 0.851 0 50 CCAA Cc1nnc(CN2CCO[C@H]3C[C@H](CO)C[C@@H]32)s1 1857737352 IPUZVCVFNPSNJA-VWYCJHECSA-N 269.370 0.818 0 50 CCAA CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN2)s1 515298975 CHYPYMDSRWISEG-SECBINFHSA-N 288.394 0.520 0 50 CCAA Nc1ncccc1CN1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 215048058 ZQYUUPNWHQTFIW-RNJOBUHISA-N 263.341 0.227 0 50 CCAA O=C(N[C@H]1CCCN2CCC[C@@H]12)c1nnc2n1CCCC2 1772810109 HPWUNHHGDHRCSG-RYUDHWBXSA-N 289.383 0.971 0 50 CCAA C[C@@H](C(=O)O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 111026151 ONABLTZHNDTKAR-VIFPVBQESA-N 295.314 0.520 0 50 CCAA Cn1cncc1CN1CCN(c2ccc3nncn3n2)CC1 328633210 AUMYUDNKSYVJNI-UHFFFAOYSA-N 298.354 0.180 0 50 CCAA Cc1cc(-n2cncn2)ccc1C(=O)NC1(C(=O)O)CC1 237805936 MAIYUFXOVJMTSU-UHFFFAOYSA-N 286.291 0.923 0 50 CCAA Cc1n[nH]cc1CN1CC[C@H](N=c2ccc3nccn3[nH]2)C1 548349837 ZFMMKKDXIMPPBT-ZDUSSCGKSA-N 297.366 0.869 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)N1CCC(N)CC1 911618809 DRLWKJDGAGWASG-INIZCTEOSA-N 289.379 0.745 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1nonc1C 818264792 ISKZAFSRNVRDSJ-GFCCVEGCSA-N 268.317 0.105 0 50 CCAA CC(C)c1ocnc1C(=O)N1CCC(O)(CO)CC1 67885472 HNWJLNOUKGOGKT-UHFFFAOYSA-N 268.313 0.757 0 50 CCAA Nc1nc(C(=O)NCCN2CCCCC2=O)cs1 405386933 NFKGWVWSTZLSBU-UHFFFAOYSA-N 268.342 0.468 0 50 CCAA O=C1OC[C@H]2CN(CCn3cc(Cl)cn3)CCN12 495982723 PBMXGCFOQMKQHW-SNVBAGLBSA-N 270.720 0.673 0 50 CCAA COC(=O)CNC(=O)[C@H]1COc2ccccc2O1 103635 PMXOTHYDWSWHDH-SNVBAGLBSA-N 251.238 0.116 0 50 CCAA CCc1ncnc(N2CCO[C@@H](c3nnnn3C)C2)c1F 2356149878 XWGZCKFGRSTSDX-SECBINFHSA-N 293.306 0.280 0 50 CCAA CCc1ccc(NC(=O)C(=O)NC[C@H](C)O)cc1 2994069 CONSDQDYWGFXFP-VIFPVBQESA-N 250.298 0.685 0 50 CCAA O=C1O[C@@H](O)C(Br)=C1Br 3882816 PKDBSOOYVOEUQR-GSVOUGTGSA-N 257.865 0.863 0 50 CCAA CCN(CC)c1nc(S)nc(N2CCOCC2)n1 4867857 PVJCSFDTNWGKSH-UHFFFAOYSA-N 269.374 0.843 0 50 CCAA O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)NC1CC1 102133119 NJUAPHDAYSTOMW-DCAQKATOSA-N 251.330 0.054 0 50 CCAA COCCC(=O)N[C@H]1C[C@@H](C(=O)N(C)C(C)C)N(C)C1 67696279 XICMTKCEOMKURA-RYUDHWBXSA-N 285.388 0.079 0 50 CCAA CS(=O)(=O)NCCC(=O)Nc1cnc2n1CCCC2 67588155 IVLRZPSWQSYCGQ-UHFFFAOYSA-N 286.357 0.097 0 50 CCAA Nc1cccc(C(=O)N2CCNC(=O)C23CCCC3)n1 1506426376 OIMMQXHWLHFFSB-UHFFFAOYSA-N 274.324 0.549 0 50 CCAA COC(=O)CN(CC(=O)OC(C)(C)C)C1CCOCC1 328592237 WCDSVIKWUJGUHG-UHFFFAOYSA-N 287.356 0.982 0 50 CCAA CCn1cnnc1[C@H]1CN(c2nccc(OC)n2)CCO1 328628976 OHGLPDPZVDYCGK-SNVBAGLBSA-N 290.327 0.675 0 50 CCAA CCN(C(=O)C1(C)COC1)C1CN(C(=O)C2(C)COC2)C1 330099645 ZVBYBUHTVJSXIW-UHFFFAOYSA-N 296.367 0.119 0 50 CCAA CNCC(=O)NCCn1nc(-c2ccccc2)ccc1=O 71639282 IHRPFICAGYDSGN-UHFFFAOYSA-N 286.335 0.246 0 50 CCAA CN1C(=O)CCc2cc(C(=O)NC[C@@H](O)C(F)F)ccc21 332739688 YHTRCOMAGVRLQZ-LLVKDONJSA-N 298.289 0.951 0 50 CCAA CN1CCN(C(=O)c2cc(Cl)ccc2O)C[C@H]1CO 215886431 HSHJDGPFPWFCBI-JTQLQIEISA-N 284.743 0.794 0 50 CCAA CCc1cc(=NC(=O)[C@@H]2C[C@H]2C2CCNCC2)[nH][nH]1 368103826 YXKABOSPJZKPLP-NWDGAFQWSA-N 262.357 0.968 0 50 CCAA CN1CCN2C[C@@H](NC(=O)c3ccc(F)c(O)c3)C[C@H]2C1 215767089 IRBPULBHNJVWQH-RYUDHWBXSA-N 293.342 0.649 0 50 CCAA Cc1nc(-c2cccc(C(=O)N3CC[C@@H](N)C3)c2)n[nH]1 237811102 KNMDDHNADBDSGS-GFCCVEGCSA-N 271.324 0.953 0 50 CCAA NCc1nc(CCN2C(=O)c3ccccc3C2=O)no1 218701125 PTWKKZUNIAGZDX-UHFFFAOYSA-N 272.264 0.367 0 50 CCAA Cc1nc2c(C(=O)N3CCCNC(=O)[C@@H]3C)ccnc2[nH]1 373866033 KSYDMEPUMGEFRW-QMMMGPOBSA-N 287.323 0.617 0 50 CCAA O=C(NCCOc1ccccc1F)C(=O)N1CCCC1 71712051 USZCLKTTYAWNOU-UHFFFAOYSA-N 280.299 0.943 0 50 CCAA Cc1nnc(CNC(=O)[C@@H](O)COc2ccccc2C)o1 217586133 IVTLHABOTYYSDY-NSHDSACASA-N 291.307 0.743 0 50 CCAA CC(C)NS(=O)(=O)N1CC[C@H](OCc2ccncc2)C1 242346916 ZKFHLHUIQQUSJA-ZDUSSCGKSA-N 299.396 0.915 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2cn3c(C)cccc3n2)C1 284624359 LHVVDUCOIQBGCK-STQMWFEESA-N 288.351 0.717 0 50 CCAA Cc1cccnc1CN1CCN(C[C@@]2(O)CCNC2)CC1 77565656 YFAYRWNNIWRIHF-MRXNPFEDSA-N 290.411 0.232 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cc2cccs2)CCO1 43700440 KFNFXXFGAGIPRI-VIFPVBQESA-N 255.295 0.603 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(C(=O)COCc3ccccc3)C[C@H]21 426604250 GYEAPVSVVWKOGG-IMRBUKKESA-N 275.304 0.992 0 50 CCAA COCc1cc(CNc2cc([C@H]3CCOC3)ncn2)[nH]n1 426551359 RGJKNXKBWPVRRV-JTQLQIEISA-N 289.339 1.462 0 50 CCAA C[C@H](CNS(=O)(=O)C1CC1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 426401955 POCJFEHXFWZTDD-LPUQOGTASA-N 299.440 0.139 0 50 CCAA CCC1(CO)CCN(C(=O)[C@@H]2COCCO2)CC1 179375559 XRRRRIHONQCBSW-NSHDSACASA-N 257.330 0.413 0 50 CCAA Cc1nccn1[C@H](C)C(=O)NCCN1CCCOC1=O 426415645 QWBLCSUWGKIINV-SNVBAGLBSA-N 280.328 0.711 0 50 CCAA O=C(NC[C@H]1CCCN1)c1ccc(Cn2cnnn2)cc1 97323989 GGWHNSITXSILAH-CYBMUJFWSA-N 286.339 0.203 0 50 CCAA COCc1cc(N(C)C[C@H]2COCCO2)ncn1 91656612 AVMGJVXMTIGYJF-NSHDSACASA-N 253.302 0.475 0 50 CCAA COCC1(O)CN(S(=O)(=O)c2sc(C)nc2C)C1 295723789 LXYRQJANGGDMPB-UHFFFAOYSA-N 292.382 0.142 0 50 CCAA CC(C)[C@H](NC(=O)CCn1cnnn1)c1nccn1C 534634140 ZWOOIIUYGKWYJW-NSHDSACASA-N 277.332 0.310 0 50 CCAA C[C@@H]1C[C@H](O)C2=C(CO)C(=O)OC2=C[C@@]2(C)CC[C@]1(O)O2 299815232 HGVUPZFNJFDVQM-XAXIDRKRSA-N 296.319 0.374 0 50 CCAA biogenic CCn1cc(CN(C)c2nc(N)c3cnn(C)c3n2)cn1 584210415 JYSXAGMLUOIRQJ-UHFFFAOYSA-N 286.343 0.798 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)c2ncccc2O)C1 584888080 GVIJLTIWJBCSOH-VIFPVBQESA-N 263.297 0.385 0 50 CCAA CC(C)c1nc(CNC(=O)c2ccc3nnnn3c2)no1 828172186 JOSSHSNKRBWDNZ-UHFFFAOYSA-N 287.283 0.561 0 50 CCAA CN1CCCN(CC(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 584885004 TZOXLMSFNXIRML-CYBMUJFWSA-N 291.399 0.021 0 50 CCAA Cc1nc(C)c(C(=O)N2CCC(N3CCOCC3)CC2)[nH]1 584891312 NUAIYQOMRNYNHF-UHFFFAOYSA-N 292.383 0.963 0 50 CCAA CCOCC1CCN(C(=O)CN2CC[C@@H](N(C)C)C2)CC1 584902591 PYNRSQQCGISEPB-OAHLLOKOSA-N 297.443 0.897 0 50 CCAA COCCN1CC[C@H](C(=O)NCC2(COC)CCC2)C1 670471113 JLZQOINCPSZQNY-ZDUSSCGKSA-N 284.400 0.888 0 50 CCAA Cc1nccn1CCCn1cc(O[C@@H]2COC[C@@H]2N)cn1 685941840 CJRKWPUNZUIMIK-UONOGXRCSA-N 291.355 0.583 0 50 CCAA Cc1ccc(C(=O)NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)n1C 952888140 DGLHZWCVSOMFEE-JQWIXIFHSA-N 289.339 0.959 0 50 CCAA Cn1ncc(Cn2c(Cc3ccc(F)cc3)noc2=O)n1 1875317969 IEUVSIMWWDVBPL-UHFFFAOYSA-N 289.270 0.743 0 50 CCAA O=C1NC(=O)[C@]2(CCCN(Cc3c(F)cncc3F)C2)N1 1333018678 XMNGZHJEOCXKOH-CYBMUJFWSA-N 296.277 0.534 0 50 CCAA COC(=O)c1cc(O)cc(C(=O)N2C[C@H]3CCN[C@H]3C2)c1 1565505858 WPQCPPVOYVJCPS-RNCFNFMXSA-N 290.319 0.613 0 50 CCAA C=CC(=O)NCCC(=O)NC[C@H]1COC2(CCCCC2)O1 271951311 UBHRZQLIGYOURG-LBPRGKRZSA-N 296.367 0.871 0 50 CCAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC[C@@]1(CO)COCCN1 585128600 HGVNLIMWLZSYHS-PWNZVWSESA-N 282.384 0.280 0 50 CCAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CNCCO1 188233612 KIOZMKYCMNLWEG-IUODEOHRSA-N 289.379 0.842 0 50 CCAA CCO[C@@H]1C[C@@H](N(C)C(=O)Cn2nc(C)oc2=O)C1(C)C 639924571 JMVDPORRFFJRHF-GHMZBOCLSA-N 297.355 0.807 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1nc(C)no1 643827204 AUHREAUIGHFXHQ-LBPRGKRZSA-N 268.317 0.105 0 50 CCAA C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CCc1cn(C)nn1 668867100 WJSWUTHHICSAPB-OCCSQVGLSA-N 291.399 0.833 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@@H](C)c1csnn1 910469837 OUMXDFUPMGILEN-QMMMGPOBSA-N 268.342 0.750 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](n2ccnn2)CC1 907353713 PSLFITZIXWELGO-SNVBAGLBSA-N 258.347 0.655 0 50 CCAA COC1(CN2CCC[C@](O)(CC(N)=O)C2)CCCC1 643746481 NHELABWDSXFANK-ZDUSSCGKSA-N 270.373 0.648 0 50 CCAA CCN1CCO[C@H](C(=O)N2CCC[C@H](C)[C@H]2CN)C1 247335212 VVCCSTXKOBZSOW-XQQFMLRXSA-N 269.389 0.293 0 50 CCAA CCOC(=O)N1CCC(N2C[C@@H]3[C@@H](C2)C3(CO)CO)CC1 1772818768 KWVPWHKRYPHLRV-CHWSQXEVSA-N 298.383 0.140 0 50 CCAA CCc1ncnc(N2C[C@H]3CNC[C@@]3(CN(C)C)C2)c1F 1772712247 QDZGDZQCJIAYRS-IAQYHMDHSA-N 293.390 0.766 0 50 CCAA COc1ccc(C(C)=O)cc1Cc1c(O)nc(N)[nH]c1=O 18032925 LGENMLRLGNUBLB-UHFFFAOYSA-N 289.291 0.860 0 50 CCAA CN1CCC[C@@H](C(=O)N2CCc3[nH]nc(C(=O)O)c3C2)C1 1857709827 TWNPAJAPUDVIAN-SECBINFHSA-N 292.339 0.334 0 50 CCAA CSCC(=O)N(CCC(=O)O)C1CCOCC1 408513254 HFLQYQFHANKSRU-UHFFFAOYSA-N 261.343 0.832 0 50 CCAA CCOC[C@H](C)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 328646230 SOLIDXNQNWBGCK-QWHCGFSZSA-N 294.399 0.764 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cn(C)cn1 257365412 GFLSSWNRQNSKKK-MNOVXSKESA-N 284.385 0.277 0 50 CCAA CSC[C@@H](C)C(=O)N1CC[C@@H](c2cc(O)nc(=N)[nH]2)C1 585131510 XQMXZYCVUBEXTD-RKDXNWHRSA-N 296.396 0.910 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2c[nH]nc2C(C)C)C1 592951366 IDQBDNOUKXQYSY-ZJUUUORDSA-N 295.339 0.529 0 50 CCAA Cc1nn[nH]c1NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 1287297143 ZTFBPEJCUZQPNJ-DTORHVGOSA-N 291.311 0.227 0 50 CCAA CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 34651285 XSXZGPXDHKXNLZ-UHFFFAOYSA-N 298.364 0.394 0 50 CCAA O=C(Oc1nsnc1N1CCOCC1)N1CCCC1 614507 PHDUZEZMIWNFII-UHFFFAOYSA-N 284.341 0.969 0 50 CCAA Cc1c(C)n2c(CSCC(=O)O)c(C)c(=O)n2c1=O 2553925 QGILUUYBCLGCBT-UHFFFAOYSA-N 282.321 0.440 0 50 CCAA N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(O)cc2)S1 4276264 UIFOMQGUEQCBSR-MRVPVSSYSA-N 265.294 0.887 0 50 CCAA O=C(O)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 7997047 JZSBHNJDGWISEK-MRVPVSSYSA-N 270.310 0.818 0 50 CCAA CCC(=O)N1CCCC[C@H]1C(=O)N1CC(=O)N(C)[C@H](C)C1 225741749 SPTLCJANIBVENR-NEPJUHHUSA-N 295.383 0.467 0 50 CCAA COC(=O)C(=O)CC(=O)c1ccc2c(c1)OCCO2 100229735 YFHDIUJBCCTRSM-UHFFFAOYSA-N 264.233 0.773 0 50 CCAA CCCn1nccc1C(=O)N1CCN2CCN(C)C[C@@H]2C1 65407087 ZGOVUSINCRCLIU-CYBMUJFWSA-N 291.399 0.365 0 50 CCAA Cn1ccnc1-c1ccccc1C(=O)N1CCNC(=O)C1 20543048 TYBBCXGRUYNVJK-UHFFFAOYSA-N 284.319 0.659 0 50 CCAA Cc1c([C@H]2[C@H](NCc3ccon3)CC(=O)N2C)cnn1C 328638417 WIVLJTJBNMCYNU-OCCSQVGLSA-N 289.339 0.778 0 50 CCAA CCn1cc(S(=O)(=O)Nc2cnn(C)c2)nc1C 330563082 ARIITDJGJXCGCK-UHFFFAOYSA-N 269.330 0.746 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCC[C@@](O)(CO)C2)on1 72152383 BSPOAIZEKYSYLG-AWEZNQCLSA-N 282.340 0.833 0 50 CCAA Cc1ccc(N2CC[C@H](C(=O)N(C)CC(=O)O)C2=O)cc1 237156396 VARLSLYNUTVHDT-GFCCVEGCSA-N 290.319 0.891 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)C[C@@H](O)c2cccc(F)c2)CCO1 262123263 PRFNDFZFYULTKG-NEPJUHHUSA-N 297.282 0.561 0 50 CCAA O=C1CSCN1CC(=O)N1CC[C@H](C2CCOCC2)C1 335352421 VGWNBZZEBCARDH-LBPRGKRZSA-N 298.408 0.794 0 50 CCAA Fc1ccc([C@H]2CN(CCc3nnn[nH]3)CCO2)cc1 71748322 YAIUDJSABIVKCQ-GFCCVEGCSA-N 277.303 0.955 0 50 CCAA CCC[C@H](CNC(=O)c1nnc2nc(C)ccn12)N(C)C 426697253 BOWITQUDELUXRF-LLVKDONJSA-N 290.371 0.893 0 50 CCAA Nc1nc(CNC(=O)c2cccc3c2OCCO3)n[nH]1 223220182 KCMCPMIMHVJTOZ-UHFFFAOYSA-N 275.268 0.088 0 50 CCAA Cc1nc(CCNC(=O)[C@H](C)N(C)C)nc2c1CCC2 426656898 GTZWZPONOKRIRY-NSHDSACASA-N 276.384 0.883 0 50 CCAA CCN1C[C@H](NC(=O)c2n[nH]c(C)c2Cl)[C@@H](OC)C1 426419977 CQIWUPIXUCGVMZ-IUCAKERBSA-N 286.763 0.820 0 50 CCAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccco1 223680949 BVUGVPPGFBNGHR-PSASIEDQSA-N 269.253 0.268 0 50 CCAA Cn1ccnc1CN(CCO)C(=O)[C@@]1(C)CCCO1 426589057 OIMJKTZQXMDPNF-CYBMUJFWSA-N 267.329 0.310 0 50 CCAA CCN(CCn1cccn1)C(=O)NCCc1cnc[nH]1 426509210 BNKTVHPXKZEAEC-UHFFFAOYSA-N 276.344 0.880 0 50 CCAA CCc1nnc(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)o1 95357475 MMAJNIZDWQBUSQ-NSHDSACASA-N 294.355 0.850 0 50 CCAA CCS(=O)(=O)CCNc1ncnc2oc(C)nc12 91769865 HDLIXYPBJWFUOM-UHFFFAOYSA-N 270.314 0.773 0 50 CCAA NC(=O)[C@@H](O)C1CCN(c2ncc(Cl)cn2)CC1 299746142 VQMWAKHCUHLSNT-VIFPVBQESA-N 270.720 0.193 0 50 CCAA O=C(C[C@H]1CCOC1)NCC1(CN2CCOCC2)CC1 534584105 WCGGXXBJVLQTRR-CYBMUJFWSA-N 282.384 0.642 0 50 CCAA COC(=O)N1CCCC[C@H]1C(=O)NCc1nnc(N)s1 534591681 OLYYJCRWWKTARQ-ZETCQYMHSA-N 299.356 0.357 0 50 CCAA Cc1ccnc(NCCNC(=O)Cc2nonc2C)c1 299755813 FEWQOLVPPYILPH-UHFFFAOYSA-N 275.312 0.852 0 50 CCAA CN(CCCS(=O)(=O)N(C)C)CCC1(O)CCCC1 823693120 ZIUHQUWZGVNEPG-UHFFFAOYSA-N 292.445 0.895 0 50 CCAA CN(CC[C@@H]1CCS(=O)(=O)C1)CC1(CO)CCC1 828685864 HOJANTGRXYHVAN-GFCCVEGCSA-N 275.414 0.906 0 50 CCAA O=C(Cc1ccncc1)NCCCN1CCCC[C@@H]1CO 670464048 HMTIPWLCXNOGHD-OAHLLOKOSA-N 291.395 0.977 0 50 CCAA Cc1cc(N2CCC[C@H](O)CC2)nc(N2CCOCC2)n1 670473661 WRRQCLPVIAECLA-ZDUSSCGKSA-N 292.383 0.973 0 50 CCAA CN(C)C[C@]1(CO)CCCN(C(=O)c2cncc(O)c2)C1 670459218 MOGHSEJZMMDMDO-OAHLLOKOSA-N 293.367 0.564 0 50 CCAA CC(C)c1nc(CCNC(=O)Cn2cccn2)no1 670453674 WFRHDNTYFJAMRB-UHFFFAOYSA-N 263.301 0.748 0 50 CCAA CCOC(=O)[C@@H](NC(=O)[C@H]1NCC1(C)C)C1CC1 1329118297 NAFUNYFSKBWHOK-VHSXEESVSA-N 254.330 0.442 0 50 CCAA O=C([C@H](O)C1CCOCC1)N1CCC2(CC1)COC2 1875274725 VHZMCFFLJOGWSE-GFCCVEGCSA-N 269.341 0.413 0 50 CCAA N=c1ccc2c(N3CC[C@@]4(CCNC4)C3)ncnc2[nH]1 1875281986 ISFMEGNBNPOXFF-CQSZACIVSA-N 270.340 0.627 0 50 CCAA O=C1CC[C@@H](C(=O)N=c2nc(C3CC3)[nH]s2)CN1 1875268299 NWVJEJFHGFSGQR-SSDOTTSWSA-N 266.326 0.302 0 50 CCAA CSc1nc(O)cc(CNC(=O)c2nc(=N)cc[nH]2)n1 1875331324 DZTNKCFRVUQLLT-UHFFFAOYSA-N 292.324 0.037 0 50 CCAA CCc1cccnc1C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 885297382 GTHLIGRZRMLHLJ-SNVBAGLBSA-N 297.380 0.395 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N2CCOCC23CC3)C1=O 886078218 PUSSXAJHJYGQFP-LBPRGKRZSA-N 296.367 0.405 0 50 CCAA CSCCN1CCN(CCc2nccn2C)CC1 1506404031 FDMDFBSXPDRFGW-UHFFFAOYSA-N 268.430 0.943 0 50 CCAA CN(C)C(=O)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 1776005893 OWKNWEWZDCREFG-HUUCEWRRSA-N 289.379 0.771 0 50 CCAA CO[C@@H]1COC[C@@H]1NC(=O)NCc1cc(C)cnc1O 1414665376 QPKUKOPCPDVILM-WDEREUQCSA-N 281.312 0.309 0 50 CCAA O=C(CCC(F)(F)F)NC[C@H]1CCNC[C@@H]1O 1565528178 IWSZVGHLEOPQOZ-SFYZADRCSA-N 254.252 0.416 0 50 CCAA CCC[C@@H](N)C(=O)Nc1ccnc(C(=O)N(C)C)c1 170678067 LHMOVCYNPNYNJR-SNVBAGLBSA-N 264.329 0.849 0 50 CCAA CC(=O)CN1CCNC(=O)[C@H]1c1ccccc1F 639576929 AHSBJLGAZCEBCV-GFCCVEGCSA-N 250.273 0.888 0 50 CCAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N(C)[C@H](C)CS(C)(=O)=O 407969571 XZARPDWCUHFBNH-LNFKQOIKSA-N 277.386 0.691 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)c2ccnnc2)C(C)(C)C1 408127774 GKJPUQZNYFHYDE-UHFFFAOYSA-N 291.355 0.695 0 50 CCAA CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cnccn1 189881085 FIDABWURLQUYJU-ZDUSSCGKSA-N 262.313 0.607 0 50 CCAA O[C@H](CN1CCOCC1)Cn1ccnc1-c1cccnc1 305289467 FPLMWZLINCXHSJ-CQSZACIVSA-N 288.351 0.638 0 50 CCAA CC(C)SCCN1CCN2CCS(=O)(=O)C[C@@H]2C1 408524054 PQUAKTIWFDFBSM-LBPRGKRZSA-N 292.470 0.543 0 50 CCAA COc1cccc(C(=O)N[C@H]2CCC(=O)N(C)C2)c1O 84092726 NQDQNSAWSVUJAJ-VIFPVBQESA-N 278.308 0.751 0 50 CCAA COC(CN1CCC[C@H](N2CCCC2=O)C1)OC 195572062 DSYRMXSZCPRRQT-NSHDSACASA-N 256.346 0.692 0 50 CCAA Cc1ccc([C@H](O)CN2CC[C@H](S(N)(=O)=O)C2)cc1 772220477 BATKRZLBGFTBGG-QWHCGFSZSA-N 284.381 0.391 0 50 CCAA CCn1nnc(C)c1Cn1cc(S(C)(=O)=O)cn1 901602671 FWGGHCNPRYMQHG-UHFFFAOYSA-N 269.330 0.255 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]2O)n[nH]1 1529118225 GWTWUZOCXFPBLA-YPMHNXCESA-N 275.308 0.987 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3(C)COC3)n[nH]c21 1857529160 OCBHEHWHAONVOS-SFYZADRCSA-N 265.313 0.951 0 50 CCAA CCn1nccc1CN(CCO)C(=O)Cc1cscn1 614266022 YMNNAMOLQHWBDZ-UHFFFAOYSA-N 294.380 0.923 0 50 CCAA COc1cc(O)ncc1C(=O)N1C[C@@H]2CC[C@]2(N)C1 1615547752 VCJWNFZCRPHAIV-SDBXPKJASA-N 263.297 0.359 0 50 CCAA C[C@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)Cc1ccon1 671192044 BMXSFOAGURWONY-CBAPKCEASA-N 274.298 0.442 0 50 CCAA O=S(=O)(N[C@H]1CNC[C@@H]1O)c1ccc(Cl)s1 699983147 QJWWIBYEEAQKDY-WDSKDSINSA-N 282.774 0.013 0 50 CCAA CN1CCN(C(=O)CCc2ccc(O)cc2)C[C@H]1CO 215728487 WLZFYUAZPUSFJZ-ZDUSSCGKSA-N 278.352 0.460 0 50 CCAA CN(C)c1nc(NCCc2nnc(O)n2C)ncc1F 1772707531 UNZXHPKEYQBTGJ-UHFFFAOYSA-N 281.295 0.170 0 50 CCAA COc1cccc(/C=C2/C(=O)NC(=O)N(C)C2=O)c1O 19788778 NMVPWBWWZDDQCZ-VURMDHGXSA-N 276.248 0.492 0 50 CCAA CSC[C@@H](C)C(=O)N1CC(N2CC[C@@H](O)C2)C1 593856469 XUKVRKZLLMIVER-MWLCHTKSSA-N 258.387 0.263 0 50 CCAA Cc1noc([C@H]2CN(Cc3cnn[nH]3)C[C@@H](C)O2)n1 625912791 IOXJSGCOZMFSPW-GMSGAONNSA-N 264.289 0.458 0 50 CCAA Cc1c[nH]cc(C(=O)N[C@H]2CCC(=O)NC23CCC3)c1=O 332705067 AETLOXIAMZPHCW-NSHDSACASA-N 289.335 0.614 0 50 CCAA NC(=O)NC1CCN(c2ccc(C(=O)O)cn2)CC1 647446815 SGCGSIXLHRVDQC-UHFFFAOYSA-N 264.285 0.417 0 50 CCAA O=C(c1cc(-n2cccn2)ccn1)N1C[C@H](O)C2(CC2)C1 368733488 SSLGTFFSMBNGQL-ZDUSSCGKSA-N 284.319 0.864 0 50 CCAA O=C1C[C@H](Cn2cc(CNC(=O)c3ccccc3)nn2)CN1 900551166 ATCMVTVKIVRQON-NSHDSACASA-N 299.334 0.344 0 50 CCAA CN1CCC[C@]2(CO)CCN(c3cc(N)ncn3)C[C@@H]12 1704339477 IESNPHANBUIGFW-BXUZGUMPSA-N 277.372 0.342 0 50 CCAA CO[C@H](C)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 192991456 DSOOARIDYQAJLU-SSDOTTSWSA-N 255.274 0.676 0 50 CCAA O=C(Cc1c(Cl)cccc1Cl)N[C@@H]1CNC[C@@H]1O 700565211 KQBMXXIFEZKTSQ-MNOVXSKESA-N 289.162 0.985 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2CCN[C@@H]2C1 534675154 UMAGUQYNDDNQKQ-VHSXEESVSA-N 271.342 0.274 0 50 CCAA COc1ccccc1OC[C@@H](O)CNC[C@](C)(O)CCO 2325783276 KAEQSFSXBXBJNX-SWLSCSKDSA-N 299.367 0.158 0 50 CCAA Cc1cc(=NC(=O)N[C@@]23CC[C@@](CN)(C2)OC3)[nH]o1 2325865393 ARSKSTHRBDJROQ-RYUDHWBXSA-N 266.301 0.177 0 50 CCAA O=S(=O)(O)[C@H]1Cc2c(no[n+]2[O-])-c2ccc(O)cc21 3096056 KGPMIRLONXRWJB-VIFPVBQESA-N 284.249 0.166 0 50 CCAA NC(=S)Nn1c(=O)[nH]c2sc3c(c2c1=O)CCCC3 4809662 UHDYSWDGKOAAIL-UHFFFAOYSA-N 296.377 0.417 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N(C)CCOCC2CC2)N(C)C1 345766505 SAZQNBGTGULZAW-STQMWFEESA-N 270.373 0.591 0 50 CCAA O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)c1ccccc1 101827086 OVHZCESSRWPSTC-WYUUTHIRSA-N 284.271 0.270 0 50 CCAA C[C@H](NS(=O)(=O)CC1CCCC1)c1nncn1C 408315511 ILERCKHLUFDRHN-VIFPVBQESA-N 272.374 0.986 0 50 CCAA COc1cc(C(=O)N2CCNC(=O)C2)cc(OC)c1OC 22413142 FVVGGRQBWXFEJM-UHFFFAOYSA-N 294.307 0.284 0 50 CCAA Cc1ccc(CC2(NC(=O)Cc3nnn[nH]3)CC2)cc1 67540314 MHRPUVPESHCUFS-UHFFFAOYSA-N 271.324 0.942 0 50 CCAA CN1CCC(N(C)C(=O)CNC(=O)c2ccco2)CC1 330484062 WMOLYRSJWGQEIR-UHFFFAOYSA-N 279.340 0.562 0 50 CCAA CCC[C@@H]1COCCN1C(=O)CCCS(N)(=O)=O 67955882 XDVCKABODYEEHF-SNVBAGLBSA-N 278.374 0.083 0 50 CCAA CCN(CCCCO)C(=O)c1ccc(C)n(C)c1=O 216511273 XAJAHEGNPKZEOY-UHFFFAOYSA-N 266.341 0.928 0 50 CCAA CCn1cc(CN(C(=O)[C@@H]2CNCCO2)C(C)C)cn1 71763141 AMFJETFDXFEDLT-ZDUSSCGKSA-N 280.372 0.628 0 50 CCAA CN(C[C@H]1CCS(=O)(=O)C1)c1ccnc2c1cnn2C 329354468 FIEWRUKNPDZRSU-SNVBAGLBSA-N 294.380 0.839 0 50 CCAA Cc1cc(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)no1 329837578 MYFBSHWIFUEKLC-LLVKDONJSA-N 288.307 0.834 0 50 CCAA Cc1ccc(C(=O)N2CCN[C@H](C(=O)O)C2)c(O)c1 71747112 KYWWFGLBCXHNCA-JTQLQIEISA-N 264.281 0.199 0 50 CCAA CN(C)C[C@@]1(CO)CCCN(Cc2cnc[nH]2)C1 215747446 HBYMINALDZBZJO-ZDUSSCGKSA-N 252.362 0.546 0 50 CCAA CCc1noc([C@]2(O)CCN(c3nccc(OC)n3)C2)n1 369359659 SWYCZYNZGBRYKW-ZDUSSCGKSA-N 291.311 0.529 0 50 CCAA CCCc1nnc(C(=O)N2CC[C@H](NC(C)=O)C2)o1 71498188 SWWMZCKZHACTST-VIFPVBQESA-N 266.301 0.373 0 50 CCAA CC(C)n1ncc2cc(C(=O)NCC3CNC3)cnc21 262036319 QMLVTLOPQSSSOO-UHFFFAOYSA-N 273.340 0.961 0 50 CCAA C[C@H]1C[C@H](N)CCN1C(=O)c1ccc2c(c1)OCC(=O)N2 237624527 GJOZBWCXRMPWQW-GXSJLCMTSA-N 289.335 0.969 0 50 CCAA COc1ccc(F)cc1C(=O)N1CCO[C@@H](C(=O)O)C1 263028950 UJNLDFMCZRYBCA-LLVKDONJSA-N 283.255 0.760 0 50 CCAA C[C@@]1(C(=O)N2CCc3ncsc3C2)CCC(=O)NC1 376148456 KVGOVEQHONCIIQ-CYBMUJFWSA-N 279.365 0.944 0 50 CCAA Cc1noc([C@@H]2CN(CCc3ccnn3C)CCN2C)n1 285087969 YKSDTDJWWDRKJI-ZDUSSCGKSA-N 290.371 0.643 0 50 CCAA Cc1ccn2ncc(C(=O)N[C@@H](C)c3nc[nH]n3)c2n1 176228189 AGPLWOALGRGXBW-QMMMGPOBSA-N 271.284 0.647 0 50 CCAA Cc1nc(CCN(C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)no1 77340617 PXFSJSWQVYDVCT-LLVKDONJSA-N 294.355 0.636 0 50 CCAA C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CCO1 241515671 OGXLYVVXYPVOIS-IJLUTSLNSA-N 292.335 0.185 0 50 CCAA Cc1cc(=O)[nH]c(CCNC(=O)[C@H]2CCC[C@@H](O)C2)n1 223142218 LYYPAXPXBHEXEJ-WDEREUQCSA-N 279.340 0.288 0 50 CCAA CC[C@H](NC(=O)CN1CCN(C)C1=O)c1ncc(C)[nH]1 426477980 IZPBKTVUCYUUDJ-JTQLQIEISA-N 279.344 0.653 0 50 CCAA COC[C@@H]1[C@@H](NC(=O)Cc2ccccn2)[C@@H]2CCO[C@@H]21 223194373 YDCVFSWWDUOFIQ-NEBZKDRISA-N 276.336 0.790 0 50 CCAA CC(C)N1CCC(C(=O)NCc2n[nH]c(N)n2)CC1 95386823 SQGGVZOGUWXLLJ-UHFFFAOYSA-N 266.349 0.124 0 50 CCAA CC1(C)COCCN1CCNC(=O)c1c(O)cccc1O 180852330 RBGAVLQDYKTKQP-UHFFFAOYSA-N 294.351 0.938 0 50 CCAA CCN1CCC[C@@H](C(=O)NCCc2cnn[nH]2)C1 426628720 FRLQDXCPKBAFMK-SNVBAGLBSA-N 251.334 0.195 0 50 CCAA Cc1nc(-c2cccc(NC(=O)NC[C@@H](O)CO)c2)n[nH]1 91174218 ONONZIYVJPTCEW-LLVKDONJSA-N 291.311 0.255 0 50 CCAA Cn1cccc1C(=O)C(=O)N1C[C@H](C2CC2)[C@@H](N)C1 91620506 MTOHJZSGNOYLGA-MNOVXSKESA-N 261.325 0.404 0 50 CCAA C[C@H](O)CNC(=O)c1cnc(-c2ccccc2)[nH]c1=O 92028502 SURMEXMMHAGKPH-VIFPVBQESA-N 273.292 0.548 0 50 CCAA Cc1nn(-c2nnn[nH]2)c(C)c1-c1cncc(N)c1 96150288 QGSGLAMOYMLTGM-UHFFFAOYSA-N 256.273 0.646 0 50 CCAA Cc1cc(C2(C(=O)N3CCOCCN3)CCOCC2)on1 627570714 SRRYEMRXEYVSNK-UHFFFAOYSA-N 295.339 0.395 0 50 CCAA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)C2CCOCC2)C1 252551040 TVSVVPZPJWXHQS-PHIMTYICSA-N 294.355 0.096 0 50 CCAA CN1CCCN(c2ncc(F)cn2)CC12CCNCC2 534670858 HHEOPBVWIDKTKH-UHFFFAOYSA-N 279.363 0.880 0 50 CCAA CCn1cc(CNC(=O)Cn2ccc(=O)cc2)c(C)n1 534669859 LGYSZGCEOQQABT-UHFFFAOYSA-N 274.324 0.690 0 50 CCAA OCCCCCCN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299783752 YDVMAPQBLOPLHN-KBPBESRZSA-N 280.372 0.976 0 50 CCAA O=C(CCn1cnnn1)NCc1n[nH]c2c1CCCCC2 299762102 KYIGKRBGYLOXNI-UHFFFAOYSA-N 289.343 0.372 0 50 CCAA Cc1ncnc(C)c1C(=O)N(C)CCCN1CCOCC1 584898985 AGOBJAOQWCAJNU-UHFFFAOYSA-N 292.383 0.888 0 50 CCAA O=C(N1CCOCC1)N1CCC(N[C@@H]2CCOC2)CC1 670435717 JSVOTFUMERNFEJ-CYBMUJFWSA-N 283.372 0.282 0 50 CCAA COCCn1cnnc1CNC(=O)Cc1c(C)n[nH]c1C 584899581 JNAFCCAHBZGGLE-UHFFFAOYSA-N 292.343 0.123 0 50 CCAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1cccc(O)n1 584895879 DBYPCVPVTXNWKB-VIFPVBQESA-N 258.281 0.798 0 50 CCAA COC(=O)c1cc(CN2CC3(C2)CS(=O)(=O)C3)oc1C 952884352 YMJYMABONCGFSZ-UHFFFAOYSA-N 299.348 0.605 0 50 CCAA C=CC(=O)N1CCC(C(=O)N(C)CC(=O)NCC)CC1 1875369559 VWLZWSSOPJXLDV-UHFFFAOYSA-N 281.356 0.006 0 50 CCAA CCc1cc(C(=O)NS(=O)(=O)c2cncc(C)c2)n[nH]1 1875324430 YKUGCSHSESFUDF-UHFFFAOYSA-N 294.336 0.794 0 50 CCAA CN(CCO)C1CCN(C(=O)[C@H]2C[C@@H](C(=O)O)C2)CC1 1875354950 UXMHPYVVHCJCJJ-PHIMTYICSA-N 284.356 0.012 0 50 CCAA CO[C@@H]1CN(CCc2cccnc2)C[C@H]1c1cn(C)nn1 886072147 WRQCUVLZSRUEPD-DZGCQCFKSA-N 287.367 0.867 0 50 CCAA Cc1nonc1C(=O)N[C@H]1CCC[C@H]1Oc1cnn(C)c1 888094663 AKQRKAPIOJJYKU-WDEREUQCSA-N 291.311 0.841 0 50 CCAA O=C(C1CCC1)N1CCC(N[C@H]2COCC[C@@H]2O)CC1 1565511362 YHLANJACVLXXRX-KBPBESRZSA-N 282.384 0.517 0 50 CCAA Cc1conc1C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 631551789 NQWLSHFHRDCDBZ-JQWIXIFHSA-N 279.340 0.776 0 50 CCAA COc1cccc(O[C@H](C)CNC(=O)[C@H]2C[C@H](O)CN2)c1 277600874 PVFBZBOGHWEJIF-UHIISALHSA-N 294.351 0.302 0 50 CCAA CNC(=O)NC(=O)[C@@H](C)N1CCN(C2CCC2)C[C@@H](C)C1 517006807 VBRVZSUESWJTJW-NWDGAFQWSA-N 296.415 0.637 0 50 CCAA CN(C)[C@@H]1C[C@@H](N=c2nc(O)c3cnn(C)c3[nH]2)C1(C)C 585092371 SUEHOUYZSSTKNL-NXEZZACHSA-N 290.371 0.631 0 50 CCAA CCn1ccnc1CN1CCN([C@H](C(=O)O)C2CC2)CC1 635014951 ATJYYWLMOHCLHL-AWEZNQCLSA-N 292.383 0.884 0 50 CCAA CC(C)(O)C(C)(C)NCC1CCS(=O)(=O)CC1 408158811 OJQLVWWJYQZTIH-UHFFFAOYSA-N 263.403 0.950 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cnc[nH]2)C1 643812638 QAWAKHKLPKLVPL-ZDUSSCGKSA-N 266.345 0.215 0 50 CCAA Cn1cnn(-c2ccc(NC(=O)[C@@H]3CCCN3)cc2)c1=O 195555042 OVPXRWUXJUKJLT-LBPRGKRZSA-N 287.323 0.262 0 50 CCAA C[C@@H](NC(=O)c1coc(C2CCOCC2)n1)C(=O)O 566796426 DIFYJGMSAQWQGI-SSDOTTSWSA-N 268.269 0.772 0 50 CCAA COc1cc(C)nc(N[C@@H]2C[C@@H](C(=O)O)C[C@@H]2O)n1 662895879 IIHUEYISTIBUJL-HLTSFMKQSA-N 267.285 0.430 0 50 CCAA Cn1nc2c(c1NC(=O)[C@@H]1C=CCN1)CSC2 1529133544 OLFDPDLSLSYSNP-QMMMGPOBSA-N 250.327 0.633 0 50 CCAA Cn1cnc2cc(C(=O)NC[C@H](N)C3CC3)cnc21 1857527630 XKSBECAJVKBYSC-JTQLQIEISA-N 259.313 0.435 0 50 CCAA N=c1[nH]nc(CNC(=O)c2ccc(Cl)cn2)s1 1857687403 VZWFBHSLUFSQLK-UHFFFAOYSA-N 269.717 0.929 0 50 CCAA Cc1cc(O)ccc1C(=O)NC[C@]1(O)CCNC1 215881521 AZPZLURUHUALJH-ZDUSSCGKSA-N 250.298 0.155 0 50 CCAA CN1CC2(CCN(CC[C@@H]3COCCO3)CC2)OCC1=O 1775984218 KINHLYMUPQBBKB-CYBMUJFWSA-N 298.383 0.115 0 50 CCAA Cn1nccc1CCNC(=O)[C@]1(C)CC12CCNCC2 1857692732 RHPVTRCXWWCCDW-AWEZNQCLSA-N 276.384 0.859 0 50 CCAA O=C(Cc1cccc(O)c1)N1CCOC[C@H]1c1ncon1 332066265 SVQQMGWTHNTSHZ-LBPRGKRZSA-N 289.291 0.918 0 50 CCAA CC(C)[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCO1 538699727 KCMUKMPXIGODKA-NSHDSACASA-N 275.312 0.621 0 50 CCAA O=C1CN(C(=O)[C@@H]2CCCN2c2ccccc2)CCN1 336105841 ZVFKVXRFERJIAO-ZDUSSCGKSA-N 273.336 0.614 0 50 CCAA COc1cccc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c1F 253397277 UYFAVQOEYPYGJN-RYUDHWBXSA-N 294.326 0.924 0 50 CCAA Cc1nn(C)c(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)c1C 152473916 RJWKRQAEQGIZGP-LLVKDONJSA-N 293.371 0.138 0 50 CCAA Cc1nccn1CCCN(C)C(=O)N1CCOCC1 163542161 MOPWLQARUVBUDM-UHFFFAOYSA-N 266.345 0.966 0 50 CCAA CC(C)N1C(=O)CC[C@H]1C(=O)N1CC(OC(F)F)C1 822272652 VYTDOBLPFSUBIM-VIFPVBQESA-N 276.283 0.836 0 50 CCAA Cn1ncc(CNC(=O)COc2ccc(F)c(F)c2)n1 935971826 YFENSXYHAYEABA-UHFFFAOYSA-N 282.250 0.789 0 50 CCAA O=C(N[C@H]1CCN(c2ccccn2)C1)C1CCNCC1 237904202 PYAHYZGZJRPKTL-ZDUSSCGKSA-N 274.368 0.776 0 50 CCAA COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(n2ccnc2)CC1 170759087 ZXZQNULGAYJXAH-NEPJUHHUSA-N 277.324 0.856 0 50 CCAA CCOc1ccc(OCC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 295189967 ITANKIMNDZWDLS-NHAGDIPZSA-N 276.336 0.798 0 50 CCAA C[C@]1(C(=O)O)CCCN1C[C@@H](O)CN1CCCC1 311086183 XSJYKYWQZOYHSB-WCQYABFASA-N 256.346 0.382 0 50 CCAA CSCC[C@@H](CO)Nc1ncnc2c1CCO2 2325783827 FRALEWSXEUOAKA-QMMMGPOBSA-N 255.343 0.937 0 50 CCAA Cc1nonc1CC(=O)Nc1cnc2ccccn2c1=O 2356149175 NZUBQQREUHTMIK-UHFFFAOYSA-N 285.263 0.567 0 50 CCAA CN(C)CCNC(=O)CNC(=O)C1CCCCC1 2684012 NYUKRGGUNUZMIB-UHFFFAOYSA-N 255.362 0.361 0 50 CCAA Cc1noc(C)c1CN1CCO[C@@H](c2nnnn2C)C1 2356163759 QBCLDGJELYMARU-LLVKDONJSA-N 278.316 0.388 0 50 CCAA CCOCc1nnc(NC(=O)C(=O)OCC)s1 4510362 KNBPWHMNYNLSLE-UHFFFAOYSA-N 259.287 0.576 0 50 CCAA Oc1cnnc(N2CCN(Cc3ccccc3)CC2)n1 8770437 WXPIPLUNYSBFBR-UHFFFAOYSA-N 271.324 0.899 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(CCN2CCCCC2)C1 344522022 DHKWUEKTNZXIFE-RYUDHWBXSA-N 255.362 0.047 0 50 CCAA O=C(O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O 170618881 HTYMKHSFIQOQQY-UHFFFAOYSA-N 250.185 0.572 0 50 CCAA COCC(=O)N(CC(=O)OC(C)(C)C)C1CCOCC1 424054821 BOXSQGSULUHHJO-UHFFFAOYSA-N 287.356 0.982 0 50 CCAA CN(Cc1ncc[nH]1)c1cc(N2CCOCC2)ncn1 65404301 YCTFYLCXSKKSPB-UHFFFAOYSA-N 274.328 0.673 0 50 CCAA Cc1cc2c(=O)n(CCOCCO)cnc2s1 32519375 GZGFOVANKVFGDP-UHFFFAOYSA-N 254.311 0.775 0 50 CCAA CC[C@@H]1CN(C(=O)CN)CCC(=O)N1Cc1ccccc1 71751333 PTCXGFHUHLFUIB-CQSZACIVSA-N 289.379 0.985 0 50 CCAA Cn1c(Cl)cnc1CN[C@H]1COC[C@H]1n1ccnn1 284487123 BJXVXEQABMUOJY-DTWKUNHWSA-N 282.735 0.395 0 50 CCAA CN(C)C(=O)[C@@H](NC(=O)c1cc(N)[nH]n1)c1ccccc1 219292125 KNAPCZXBIPZSLP-LBPRGKRZSA-N 287.323 0.551 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(CO)c(F)c1 334461699 PHBMBEWZYSUOET-DGCLKSJQSA-N 292.310 0.669 0 50 CCAA COc1ccc(CN2C[C@@H](OC)C[C@H]2C(N)=O)cc1F 284633001 SXRCNZYWJCFSMB-JQWIXIFHSA-N 282.315 0.909 0 50 CCAA O[C@@]1(CNCCCn2ncc3ccccc32)CCNC1 77392521 HRZCQNQFBJVKOK-OAHLLOKOSA-N 274.368 0.740 0 50 CCAA O=C(CC(=O)N1CC[C@](O)(C2CC2)C1)NCC(F)(F)F 373353395 HJLMWLFJMGWCSQ-LLVKDONJSA-N 294.273 0.428 0 50 CCAA O=C([C@H]1CCCN(C(=O)[C@H]2CC23CC3)C1)N1CCNCC1 335398045 DSNNMBHYTBAGKH-QWHCGFSZSA-N 291.395 0.457 0 50 CCAA CCN1CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)OC1=O 72479713 UQUGTJWOERXNQP-UHFFFAOYSA-N 295.339 0.085 0 50 CCAA Cc1cc(CCNC(=O)N2C[C@H](N)C3(CCC3)C2)nn1C 1553533053 UJRXWFWCJKEWPW-ZDUSSCGKSA-N 291.399 0.794 0 50 CCAA CN(Cc1cccnc1)C(=O)[C@H]1CCc2nnn(C)c2C1 289700849 FMBGOSKWLJQGJS-LBPRGKRZSA-N 285.351 0.974 0 50 CCAA NC(=O)CN1CCCn2nc([C@@H](O)C3CCC3)cc2C1 220706911 RORDMDVPXSHYRT-AWEZNQCLSA-N 278.356 0.408 0 50 CCAA COCCc1nc(CNC(=O)[C@@H](C)n2cccn2)no1 426443101 FKYASPSYJVBXNU-SECBINFHSA-N 279.300 0.332 0 50 CCAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cncc(=O)[nH]3)C2)n1 426425143 FQVGIUFYKDSQPI-LLVKDONJSA-N 287.323 0.670 0 50 CCAA NC(=O)CN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 91665815 NTKVQXUGOISEAS-DGCLKSJQSA-N 288.351 0.103 0 50 CCAA NS(=O)(=O)C[C@H]1CCN(C(=O)NCc2ccoc2)C1 426399011 KJROAIPPWUYAHC-JTQLQIEISA-N 287.341 0.100 0 50 CCAA CC(=O)c1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 239433128 XGENSLWVQPEOBM-PBGAJXSPSA-N 281.308 0.129 0 50 CCAA CC[C@@H](C)N(CC(=O)O)C(=O)[C@H]1CN(CC)CCO1 237049804 IRRINZGPPFKYSP-GHMZBOCLSA-N 272.345 0.419 0 50 CCAA Cc1ccc([C@H](C(=O)NCCS(C)(=O)=O)N(C)C)cc1 91304959 SYRLRSNOBKSCLL-CYBMUJFWSA-N 298.408 0.759 0 50 CCAA COc1c(NCc2ccc3c(c2)OCO3)c(=O)c1=O 242648353 QTWCQCPZPHJWNA-UHFFFAOYSA-N 261.233 0.632 0 50 CCAA C[C@H](C(=O)NCCc1n[nH]c(N)n1)n1cc(Cl)cn1 244685594 ISYCOLGENSJOKP-ZCFIWIBFSA-N 283.723 0.157 0 50 CCAA Nc1ncccc1CNC(=O)CCCN1CCCC1=O 252490397 KSOVGIKFVRTYAJ-UHFFFAOYSA-N 276.340 0.683 0 50 CCAA CN1C[C@@H](C(=O)NCC2(O)CCC2)[C@H](C(F)(F)F)C1 299744012 NHHVCTMPYJVEQF-RKDXNWHRSA-N 280.290 0.758 0 50 CCAA C[C@H](C(=O)NCc1nnc(N)s1)n1cccc1 534651794 TUXWPCJLVQQUTN-SSDOTTSWSA-N 251.315 0.799 0 50 CCAA Cc1[nH]ccc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299777051 IBMACIVPACKFAM-STQMWFEESA-N 287.323 0.901 0 50 CCAA CNS(=O)(=O)CCn1cnc2c(F)cccc2c1=O 584891367 LBXIQHNIXHQOTN-UHFFFAOYSA-N 285.300 0.085 0 50 CCAA C[C@@H](CNS(=O)(=O)C1CC1)NC1(C2CC2)CC1 821826825 QSQHYLSBKYICPG-VIFPVBQESA-N 258.387 0.989 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)c2ccc(O)cn2)C1 584894911 YDXJFBMTAQKMBW-LLVKDONJSA-N 279.340 0.437 0 50 CCAA C[C@H](c1cccnc1)N(C)C(=O)CCCS(N)(=O)=O 906439923 IALBBUVVZDXWMM-SNVBAGLBSA-N 285.369 0.670 0 50 CCAA CC(C)(C)OC(=O)N[C@H](Cc1ccnnc1)C(=O)O 685944055 ZADFWYUYRKLANC-SECBINFHSA-N 267.285 0.997 0 50 CCAA O=c1ccccn1Cc1cn(C[C@H]2CC(F)(F)CO2)nn1 1875279389 ZODWLCVHUKZRQC-LLVKDONJSA-N 296.277 0.912 0 50 CCAA Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2[C@H](C(=O)O)[C@@H]2C1 1875272246 RNGMPBXPGLPTPO-KSLZLVKMSA-N 289.335 0.703 0 50 CCAA O=c1c2cccn2cnn1Cc1nnc2n1CCCCC2 886068628 DKKGMNQSVLZTER-UHFFFAOYSA-N 284.323 0.862 0 50 CCAA Cc1nocc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 888094992 IJXSVHHSEFPWTP-NWDGAFQWSA-N 292.295 0.293 0 50 CCAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)CC(C)(C)O)C1 888077808 WBFDQPWNHRSZQC-NXEZZACHSA-N 267.329 0.859 0 50 CCAA CCc1ncnc(N2CC(NC3COC3)C2)c1F 1307219398 XTSBUQYBPCCVRV-UHFFFAOYSA-N 252.293 0.355 0 50 CCAA Cc1nccn1CCCN1CCN(S(C)(=O)=O)CC1 244602046 DWTDAUYMOCXXHH-UHFFFAOYSA-N 286.401 0.159 0 50 CCAA Cc1cccc(CONC(=O)[C@H](C)S(C)(=O)=O)n1 898936020 MMSOHPVEDYQULN-VIFPVBQESA-N 272.326 0.371 0 50 CCAA COCC(C)(C)CS(=O)(=O)N1C[C@H](N)C2(CCC2)C1 1775962526 QJTCXCDMZUMWAZ-NSHDSACASA-N 290.429 0.802 0 50 CCAA CS(=O)(=O)C1(C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)CC1 1412225899 KAZHBNCMUJHLAH-SFYZADRCSA-N 297.323 0.229 0 50 CCAA COCc1cccc(C(=O)N[C@H]2COCC[C@@H]2OC)n1 1565526123 RBTNZNCGKHZFRX-STQMWFEESA-N 280.324 0.762 0 50 CCAA Cc1nc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)c[nH]1 275361373 NZFKAWUQACPWEE-ONGXEEELSA-N 275.312 0.712 0 50 CCAA C[C@@H]1CCS(=O)(=O)CCN1Cc1cnc(N(C)C)nc1 277408999 IHYAEHVPZVPYRX-LLVKDONJSA-N 298.412 0.552 0 50 CCAA COC(=O)[C@@H](NCc1ccc2cn[nH]c2c1)[C@@H](C)O 170608741 RYCGYSSWUQTJCG-PELKAZGASA-N 263.297 0.575 0 50 CCAA C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1COC[C@@H]1O 634725640 ZIADWORZSUQZOE-ZRJCITRHSA-N 251.326 0.500 0 50 CCAA O[C@@H]1CN(CCCc2ccncc2)C[C@H]1n1ccnn1 639754323 UXRXPUOSXMRICU-ZIAGYGMSSA-N 273.340 0.524 0 50 CCAA COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ncnn1C 225406939 QIKMVEZPALINSQ-SCVCMEIPSA-N 264.329 0.589 0 50 CCAA C[C@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)CCCO1 668029093 OSXAANJTIDXQLO-VIFPVBQESA-N 275.308 0.827 0 50 CCAA Cc1nc(CN2C[C@@H]3CCOC[C@]3(CO)C2)cn1C 1857679565 NAXAAJNGKVQTCY-GXTWGEPZSA-N 265.357 0.559 0 50 CCAA CC(=O)NCCc1ccc(S(=O)(=O)N(C)C)cc1 306723 LGXWRZPPRYQFDX-UHFFFAOYSA-N 270.354 0.616 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2ncc(F)cc2F)C[C@@H]1O 213346133 PYTFVUBXGZARLI-GWCFXTLKSA-N 286.278 0.708 0 50 CCAA CCc1nccn1CCC(=O)N[C@H]1CC[C@H](N)C1 214836478 WRGBPDQDQUMGHA-QWRGUYRKSA-N 250.346 0.832 0 50 CCAA CCn1cncc1S(=O)(=O)N1CCOCC2(CC2)C1 329328872 KREQVPYBECUNBA-UHFFFAOYSA-N 285.369 0.704 0 50 CCAA CCC1(O)CCN(C(=O)Cc2n[nH]c(C)n2)CC1 669249587 PHJVDYIXTPPMKK-UHFFFAOYSA-N 252.318 0.419 0 50 CCAA Cc1nccc(CN2CCC3(CC2)CN(C)C(=O)CO3)n1 1772819187 QBDRHWDFXIUXQU-UHFFFAOYSA-N 290.367 0.608 0 50 CCAA Cc1nc(C(=O)NC2CC(NCC(F)(F)F)C2)no1 1857528959 ZEONCPXDXAFVIB-UHFFFAOYSA-N 278.234 0.791 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)c2cncc(O)c2)CC[C@@H]1O 1857713630 SZAUDCKGEPCANE-ZFWWWQNUSA-N 294.351 0.773 0 50 CCAA O=c1oc2ccccc2n1CCN1CC[C@H](CO)[C@H](O)C1 1857737009 ZUMITAZUWIQZEY-DGCLKSJQSA-N 292.335 0.270 0 50 CCAA O=C(O)[C@H]1CN(C(=O)COCCc2ccccc2)CCO1 262999862 PRMVQOXWKGPALT-CYBMUJFWSA-N 293.319 0.558 0 50 CCAA CNC(=O)c1ccc(C(=O)Nc2c3c(nn2C)CCC3)cn1 264200932 RYVZLYZYNBBQGP-UHFFFAOYSA-N 299.334 0.916 0 50 CCAA COc1nccnc1N1CCC([C@H](O)CO)CC1 1772805979 WKLQBPLXHZQIAR-SNVBAGLBSA-N 253.302 0.055 0 50 CCAA C[C@@H]1NC(=O)N(CCN2CCC(c3ncco3)CC2)C1=O 931447133 YQCJUSYDXXQTKQ-JTQLQIEISA-N 292.339 0.794 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)NC2CCCCC2)CC1 8169490 UBQPORWTEYFJDQ-UHFFFAOYSA-N 289.401 0.606 0 50 CCAA O=C(c1cn[nH]c1)N1CCC[C@@H](CN2CCOCC2)C1 282083067 IUPBMAHPJLVRKF-LBPRGKRZSA-N 278.356 0.594 0 50 CCAA O=C(c1cc(F)ccc1F)N1CCN2C(=O)NC[C@H]2C1 176265762 VXYPXRGFUXRYGM-VIFPVBQESA-N 281.262 0.814 0 50 CCAA Cc1cncc(C(=O)N2CCC[C@@](O)(CO)C2)c1 72173760 HYMFMSKLXVFORT-ZDUSSCGKSA-N 250.298 0.349 0 50 CCAA Cn1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)n1 311314837 ZFLRFPOSSQYBSL-CHWSQXEVSA-N 257.293 0.808 0 50 CCAA CCn1cnnc1CSc1nnc(CN)n1C 426658270 GIDDPLRFKNOOTR-UHFFFAOYSA-N 253.335 0.178 0 50 CCAA OC[C@H]1COCCN(c2nccc(C(F)(F)F)n2)C1 95355166 BBJXFLKCWRIAMM-QMMMGPOBSA-N 277.246 0.941 0 50 CCAA O=C(N[C@@H](CCO)C(F)F)[C@H](O)c1ccc(F)cc1 2325797246 HSRAWPQJPXZYMD-VHSXEESVSA-N 277.242 0.991 0 50 CCAA FC(F)c1cc(N2CCN(C3=NCCCN3)CC2)ncn1 2325802326 ABGXWEWEHZFGJR-UHFFFAOYSA-N 296.325 0.886 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cc2cscn2)C[C@@]12CCOC2 2325812748 DVDPMTYGDCFDEW-GXFFZTMASA-N 296.348 0.635 0 50 CCAA C[C@H]1COC(=O)[C@@H]1NC(=O)Cc1ccc2nc(O)[nH]c2c1 2325827116 VNLSDSGFQUOREV-JVXZTZIISA-N 289.291 0.489 0 50 CCAA Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](C)O)c1 2965691 SFDYSISGFIEPSS-SNVBAGLBSA-N 250.298 0.739 0 50 CCAA C[C@@]1(NS(=O)(=O)c2ccc(C(=O)O)cc2)CCOC1 134021164 ZLASWARXLVYUDZ-GFCCVEGCSA-N 285.321 0.842 0 50 CCAA COc1ccc(C)cc1NC(=O)C(=O)NC1(CO)CC1 225687432 AXGHCCUTVBBGDK-UHFFFAOYSA-N 278.308 0.583 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)NCCC(C)(C)C)C1 344559358 ZRXSGSUJKPQTCH-QWRGUYRKSA-N 285.388 0.113 0 50 CCAA O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cnccn1 22146066 DWYZPDHMMZGQAP-LLVKDONJSA-N 271.276 0.902 0 50 CCAA CCNc1sc2c(O)cc(=O)[nH]c2c1C(N)=O 67604735 RQYUXRWUJFYLKV-UHFFFAOYSA-N 253.283 0.826 0 50 CCAA Cc1noc(C[C@H]2C(=O)NCCN2Cc2ccc(C)o2)n1 20535558 OIDGQDPWGIIFIC-LBPRGKRZSA-N 290.323 0.823 0 50 CCAA C[C@@H](C(=O)O)n1ccc2c(cnc3ncnn32)c1=O 20312425 NAWKMIXHJHXJCO-LURJTMIESA-N 259.225 0.085 0 50 CCAA C[C@@H](CCN(C)C(=O)CS(C)(=O)=O)N1CCCC1 67770083 NMXPRJLFUCMLMI-NSHDSACASA-N 276.402 0.364 0 50 CCAA COc1ccc(CC(=O)O[C@H]2CCN(C(C)=O)C2)nc1 328596582 DWMYNTMVNLRZIJ-ZDUSSCGKSA-N 278.308 0.797 0 50 CCAA Cc1cc(C(=O)N2C[C@H](N(C)CC(=O)O)[C@H](O)C2)c(C)o1 328608140 YFCVPKILWZIYGK-NWDGAFQWSA-N 296.323 0.098 0 50 CCAA COc1ccc(C(=O)N2C[C@H](O)C[C@H]2CO)c(C)c1OC 367263606 FJDLDYRNROHFDT-WDEREUQCSA-N 295.335 0.580 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)nn1 155800123 JUTIMWSZFCDPOR-LLVKDONJSA-N 290.323 0.766 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2cnn(C)c2)C1 284682564 YDIAKQRKZPKLAN-KBPBESRZSA-N 292.383 0.632 0 50 CCAA CO[C@@H]1CN[C@@H](C(=O)NCc2ccc(CO)c(F)c2)C1 376650173 CWAZHQJPHZJDAT-WCQYABFASA-N 282.315 0.311 0 50 CCAA O[C@]1(c2c[nH]nn2)CCN(CCc2ccccn2)C1 284794547 LUUFGNRKDQHAQV-CYBMUJFWSA-N 259.313 0.336 0 50 CCAA C[C@]1(C(=O)N2CCC[C@@H](Cn3cncn3)C2)CCNC1 237793689 QCXCURUMPZDKTI-OCCSQVGLSA-N 277.372 0.516 0 50 CCAA O=C(c1ccccc1-c1nnn[nH]1)N1CCn2cncc2C1 72158931 SFGXNAIXGGBXEU-UHFFFAOYSA-N 295.306 0.719 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)c2nc[nH]c3nccc2-3)[C@H]1OC 613514098 PNSCRBYGKGJGHM-CKYFFXLPSA-N 290.323 0.832 0 50 CCAA CC(=O)NC(C)(C)C(=O)N[C@@H](C)Cc1cnccn1 426634121 XTTVHICYENVWFU-VIFPVBQESA-N 264.329 0.439 0 50 CCAA Nc1nc(=NCCc2cnc[nH]2)cc([C@H]2CCOC2)[nH]1 426372174 GIJGUOWIIVQIGP-VIFPVBQESA-N 274.328 0.362 0 50 CCAA O=C(NCCCc1nn[nH]n1)[C@H]1COc2ccccc2C1 426519172 CYOXYZTUOAEEHM-LLVKDONJSA-N 287.323 0.500 0 50 CCAA NC[C@H](O)CNC(=O)c1ccc(Br)s1 382536973 HNSIYIUWLBXZKZ-YFKPBYRVSA-N 279.159 0.560 0 50 CCAA CN1CCCN(CC(=O)N2CCCC[C@@H]2C(=O)O)CC1 426535668 INPLWPYEFBRXQW-GFCCVEGCSA-N 283.372 0.090 0 50 CCAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3CCNC3)C2)no1 237773022 CCZQRFZKDRSXOG-RYUDHWBXSA-N 278.356 0.769 0 50 CCAA N[C@H]1CN(C(=O)CCCn2ccnc2)C[C@@H]1C1CC1 91620902 IYKDOFHRIUROHO-OLZOCXBDSA-N 262.357 0.859 0 50 CCAA CC(=O)N1CCCN(Cc2noc([C@@H]3CCCO3)n2)CC1 252505492 VRYPIIKRNHUPOO-LBPRGKRZSA-N 294.355 0.975 0 50 CCAA COC(=O)[C@H]1[C@@H]2[C@H]3[C@@H]4[C@H]([C@H]5[C@@H]([C@@H]25)[C@]43C)[C@H]1C(=O)OC 253596769 VUBLRNDLIUQCSP-KENUKFIESA-N 262.305 0.953 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1ccc(C(C)=O)s1 534636357 GFFQZTQONISNSR-IUCAKERBSA-N 268.338 0.667 0 50 CCAA Cc1ncc2c(n1)CC[C@@H](NC[C@H](O)CN1CCCC1)C2 629554449 IDRBPNGTYLLUIE-CABCVRRESA-N 290.411 0.689 0 50 CCAA Cc1cc(CC(=O)N(C)CCN2CCOCC2)on1 553429021 LPDLDKXOCJGJHP-UHFFFAOYSA-N 267.329 0.316 0 50 CCAA CC(=O)N1CCCC[C@H]1C(=O)NCCn1ccnc1C 285990242 MULFKDDKGYJGJL-ZDUSSCGKSA-N 278.356 0.709 0 50 CCAA COCCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccccc1 299791007 BXBBPFSNGXGBQM-KBPBESRZSA-N 277.368 0.351 0 50 CCAA Nc1nc(N)nc(CN2CC[C@@H](Oc3ccccn3)C2)n1 268659753 IVRFEKYAYCARBK-SECBINFHSA-N 287.327 0.084 0 50 CCAA Cn1nc(CO)c2c1CCN([C@H]1CCCOC1)C2 584898783 DUKXEGSIBHZXCA-JTQLQIEISA-N 251.330 0.450 0 50 CCAA CCN1CCCN(C(=O)[C@H]2CSC(C)(C)C(=O)N2)CC1 584897665 FTTZPRHSHBJUFH-LLVKDONJSA-N 299.440 0.551 0 50 CCAA O=C(CN1CCCCCCC1)NCCCc1nn[nH]n1 584887769 FCJAFFCYIOWLRB-UHFFFAOYSA-N 280.376 0.515 0 50 CCAA Cc1ncc(CN2CCC(CO)(CN(C)C)CC2)cn1 584897815 YXFULBZDWXTHRL-UHFFFAOYSA-N 278.400 0.921 0 50 CCAA CC(C)c1cc(CNC(=O)N2CCC[C@@H]2C(N)=O)no1 584894497 XZXJCYXNBNDTGR-SNVBAGLBSA-N 280.328 0.957 0 50 CCAA CCc1ncnc(NCC2(C(N)=O)CCOCC2)c1F 271023088 BUQMOWTUVKBVFD-UHFFFAOYSA-N 282.319 0.872 0 50 CCAA C[C@@H]1C[C@H]1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875332873 OPUGXKWEMKMLCL-RTZQGMDZSA-N 271.338 0.264 0 50 CCAA CSCCC(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076092257 YLDCIBYCOBPTIQ-MNOVXSKESA-N 282.369 0.703 0 50 CCAA CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2cncn2C)C1 1362230004 OADQXMNINHVIIW-OCCSQVGLSA-N 276.384 0.905 0 50 CCAA CS(=O)(=O)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565507410 DEHOTIHVLSCHBY-UWVGGRQHSA-N 272.326 0.167 0 50 CCAA CC(C)(CF)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1361474370 WRGZSBRQVNXBGQ-NEPJUHHUSA-N 288.363 0.731 0 50 CCAA COc1cc(Cl)ccc1C(=O)N[C@@H]1CCNC[C@H]1O 77303842 ZYTTUJOPBWDXOC-GHMZBOCLSA-N 284.743 0.801 0 50 CCAA O=C(NCCOc1ccc(Cl)cc1)[C@H]1C[C@H](O)CN1 277858136 MZIKTBUPMNTFMP-CMPLNLGQSA-N 284.743 0.558 0 50 CCAA C[C@@]1(O)CCN(C(=O)Cc2cccc(O)c2)C[C@@H]1O 96140199 LSVLXWRHQOPFFJ-GXTWGEPZSA-N 265.309 0.279 0 50 CCAA O=C(Cn1cc(F)ccc1=O)NCC(F)(F)F 170606305 UKIORHQDOXUUEC-UHFFFAOYSA-N 252.167 0.666 0 50 CCAA C[C@@H]1[C@@H](C(=O)N2CC[C@@H](S(C)(=O)=O)C2)C1(F)F 407965369 LVGKZNBEXZZZFT-PRJMDXOYSA-N 267.297 0.533 0 50 CCAA CC(=O)N[C@@H](CC(=O)N1CC(O)C1)c1c(F)cccc1F 305106355 DDMLSOCPVROYLP-LBPRGKRZSA-N 298.289 0.735 0 50 CCAA CC[C@]1(O)CCCN(C(=O)NCc2nc(N(C)C)n[nH]2)C1 637788987 OMRWKHNVJNCAJJ-ZDUSSCGKSA-N 296.375 0.317 0 50 CCAA Cc1cc(S(=O)(=O)N2CCO[C@H]([C@@H](C)N)C2)c(C)o1 195555335 JZOXVOLPDPCBLZ-KOLCDFICSA-N 288.369 0.633 0 50 CCAA Cc1cnccc1C(=O)N1CC[C@H](c2nn[nH]n2)C1 720629041 SWFWTCBNPPGJMR-VIFPVBQESA-N 258.285 0.533 0 50 CCAA CC[C@@]12COC(=O)N1CCN(c1nccnc1OC)C2 1857709787 RITALRBYMBCWLQ-CYBMUJFWSA-N 278.312 0.906 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2ccc(OC)o2)C[C@@H]1O 222046484 XDPFSSODOQRQIN-GWCFXTLKSA-N 269.297 0.636 0 50 CCAA CCc1nc(S(=O)(=O)CC(=O)N(CC)CC)n[nH]1 331288357 OIPXCPUEQNBMKN-UHFFFAOYSA-N 274.346 0.009 0 50 CCAA CC(C)n1nnnc1CN[C@@H]1CCCC[C@H]1CO 125124157 ZJEAAVOWARPBNL-WDEREUQCSA-N 253.350 0.895 0 50 CCAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cn[nH]c1 739722564 WAXUDJXECYGICN-JTQLQIEISA-N 267.285 0.506 0 50 CCAA C[C@@H](O)CN(C)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 462841702 FILBJGPJABCEMF-ADEWGFFLSA-N 267.329 0.337 0 50 CCAA Cc1noc(COCC(=O)N2C[C@H](C)N[C@H](C)C2)n1 154115906 PELQHBSHKANDMM-DTORHVGOSA-N 268.317 0.103 0 50 CCAA CC[C@]1(O)CCN(C(=O)CSc2ccncc2)C[C@@H]1O 216912609 FXQSTTBRKAOCSE-JSGCOSHPSA-N 296.392 0.908 0 50 CCAA O=C(NCCN1CCOCC1)C(=O)Nc1ccccc1 19831231 OYDAUWZJBKBRCI-UHFFFAOYSA-N 277.324 0.074 0 50 CCAA CN1C(=O)NCC12CN(C(=O)c1ccsc1)C2 1857709219 LMUIZZSLYYLKJG-UHFFFAOYSA-N 251.311 0.598 0 50 CCAA CN1CCC[C@]2(CO)CCN(Cc3cnc[nH]3)C[C@@H]12 1704297566 AFWUVFCLCQWLAW-ZIAGYGMSSA-N 264.373 0.688 0 50 CCAA C[C@H](C(=O)NOC(C)(C)CO)N1Cc2ccccc2C1=O 828672964 VWGKAJIWMSZLBN-SNVBAGLBSA-N 292.335 0.850 0 50 CCAA O=C1C[C@@H](CCNC(=O)c2cnn3c2CCCC3)CN1 831962873 RWLOUOUCTWKHPS-SNVBAGLBSA-N 276.340 0.475 0 50 CCAA CCOC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 834853161 OWNIBZATEOYBOX-HBNTYKKESA-N 277.324 0.925 0 50 CCAA NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)C1 224557922 PDALWDGUHJWBKH-GMTAPVOTSA-N 282.340 0.601 0 50 CCAA CC(C)(C)n1nnc(CNCC2(O)CCCC2)n1 656155050 GTBHIOKDEGTYKM-UHFFFAOYSA-N 253.350 0.823 0 50 CCAA O=C(C[C@H]1C=CS(=O)(=O)C1)NCCc1ccnc(O)c1 2325763066 QOGORKOVRXNQMW-LLVKDONJSA-N 296.348 0.394 0 50 CCAA O=C(O)[C@H]1C=CCN(S(=O)(=O)c2ccoc2)C1 2325787211 JWFUSQOKYBADMO-QMMMGPOBSA-N 257.267 0.541 0 50 CCAA O=C(N[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2)N1CCCNCC1 892428137 UBCYOYQVQLHKJH-OBPIAQAESA-N 265.357 0.415 0 50 CCAA O=C1c2ccccc2C(=O)N1N1C(=O)c2cccnc2C1=O 110443 CTVPYWORSNKXDR-UHFFFAOYSA-N 293.238 0.889 0 50 CCAA COCCn1cc(CN2C[C@@H](OC)C[C@H]2CO)cn1 343947755 DZARPBZLBXJWKE-STQMWFEESA-N 269.345 0.111 0 50 CCAA CCC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 4838337 ISDUSNHHMBFOLG-UHFFFAOYSA-N 264.281 0.938 0 50 CCAA Cc1cnccc1CNC(=O)C1(S(C)(=O)=O)CCC1 282066347 ZTKGCBVRWWWGFB-UHFFFAOYSA-N 282.365 0.974 0 50 CCAA CC[C@@H](NC(=O)OC)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100879892 GYFZSFVIPDAGCG-AJBSGBCOSA-N 278.308 0.886 0 50 CCAA O=C(CCN1CCCCO1)NCc1n[nH]c2c1CCC2 55108930 QBAPEVUAFSNVDI-UHFFFAOYSA-N 278.356 0.932 0 50 CCAA COCc1noc(CCN2C(=O)NC3(CCCC3)C2=O)n1 349824854 RJVTYGXMWPRAOY-UHFFFAOYSA-N 294.311 0.623 0 50 CCAA COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cnc(C)nc1 351755334 IFYGJNJXEBVXEW-QWHCGFSZSA-N 279.340 0.937 0 50 CCAA O=c1c2ccccc2ncn1CCN1CCOCC1 20722723 GWZVUMCADVZMAI-UHFFFAOYSA-N 259.309 0.729 0 50 CCAA CCS(=O)(=O)CCNC(=O)c1nc(C)sc1C 178508516 FCZFXGAIGPQKBT-UHFFFAOYSA-N 276.383 0.924 0 50 CCAA CCNC(=O)N1C[C@@H]2CN(C3CCCC3)C[C@]2(C(=O)O)C1 65405312 DUQTYWJIJXQELH-NHYWBVRUSA-N 295.383 0.977 0 50 CCAA COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 49142 GPTONYMQFTZPKC-UHFFFAOYSA-N 280.309 0.868 0 50 CCAA biogenic,world CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1O 84710 VVSWDMJYIDBTMV-QTJJRWQNSA-N 282.292 0.194 0 50 CCAA biogenic CN1CCO[C@H](CN(CC(=N)O)C(=O)C2CCCC2)C1 328655240 YFEBXVIOEISKRB-LBPRGKRZSA-N 283.372 0.871 0 50 CCAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccc2c(c1)OCC(=O)N2 237495862 GJOZBWCXRMPWQW-KOLCDFICSA-N 289.335 0.969 0 50 CCAA C[C@H](C(=O)N1CCOC[C@H]1C(=O)O)C1CCOCC1 263233167 CADREHRGZHHUPP-ONGXEEELSA-N 271.313 0.361 0 50 CCAA COC(=O)[C@@]1(C)CCCN(C(=O)[C@H]2CCCCC(=O)N2)C1 335522688 HYUOCXHJCQUJKN-ABAIWWIYSA-N 296.367 0.847 0 50 CCAA CC(C)N1[C@H]2CC[C@H]1CN(c1ccc3nnnn3n1)CC2 240871471 IKUSJRCEOAFOMR-RYUDHWBXSA-N 287.371 0.971 0 50 CCAA CCOC[C@H]1CN(C(=O)NCc2ncccn2)CCO1 528049957 AGMSRTSAZSXKOZ-LLVKDONJSA-N 280.328 0.424 0 50 CCAA O=C(O)Cn1cc(I)cn1 47218724 VYRSJDHAOMNMLF-UHFFFAOYSA-N 252.011 0.572 0 50 CCAA COCC[C@@H]1COCCN1c1cc(C)nc2ncnn12 292429264 UUUSYYGFFLYECD-LLVKDONJSA-N 277.328 0.674 0 50 CCAA COc1cc(CC(=O)N2CCCNC(=O)[C@H]2C)ccn1 613876879 RPUTZMTZTOKAQK-SNVBAGLBSA-N 277.324 0.370 0 50 CCAA CN(CCN1CCCC1)c1cc(C2CC(N)C2)nc(N)n1 220063644 LAKPHSMCJWVWRL-UHFFFAOYSA-N 290.415 0.796 0 50 CCAA O=C(O)[C@H]1CC(=O)N(c2ccccc2N2CCOCC2)C1 45958051 SKADSAPWGOYTSB-NSHDSACASA-N 290.319 0.961 0 50 CCAA CN(C)C/C=C/C(=O)NCc1ncccc1N(C)C 291934267 OUCFHUSWRJMTLI-SOFGYWHQSA-N 262.357 0.882 0 50 CCAA CNCc1nnc(S[C@@H](C)C(=O)N(C)C)n1C 426501871 OUJNAWDUSBCOBF-ZETCQYMHSA-N 257.363 0.103 0 50 CCAA Cc1cc(=O)c(C(=O)NC2(C(N)=O)CCCCC2)cn1C 426389211 FBTNVJYMKXIKHR-UHFFFAOYSA-N 291.351 0.612 0 50 CCAA Cc1nc(O)c2c(n1)CN(C(=O)N[C@@H]1CCOC1)C2 426517552 IBFYHWYLJIPPQH-MRVPVSSYSA-N 264.285 0.305 0 50 CCAA CN(CCc1ncon1)C(=O)C[C@@H]1CCCOC1 426597378 JGGXCXWOCOSCPF-JTQLQIEISA-N 253.302 0.887 0 50 CCAA CCN1CCC(CC(=O)N[C@H](C)c2nnn[nH]2)CC1 95368920 QHJBFGGYNUAHFP-SECBINFHSA-N 266.349 0.499 0 50 CCAA COCCCN1CC[C@H](CNC(=O)c2cc(C)nn2C)C1 97425390 JYGRWLJBOVCAEW-CYBMUJFWSA-N 294.399 0.817 0 50 CCAA O=C(NCc1cc2n(n1)CCNC2)c1cc(Cl)c[nH]1 97823615 GPUGEPBPBDDYKC-UHFFFAOYSA-N 279.731 0.898 0 50 CCAA CCOc1cccc(OCCN2CC[C@](O)(CO)C2)c1 299792162 DRQGRNGCRRASHE-OAHLLOKOSA-N 281.352 0.893 0 50 CCAA Nc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 585134246 JPTNNSXTXPVMTO-UHFFFAOYSA-N 294.336 1.103 0 50 CCAA Cc1c[nH]c(C(=O)N2CCN(C(=O)C3CCC3)CC2)n1 584892334 IKVCEZQLXFLSAM-UHFFFAOYSA-N 276.340 0.803 0 50 CCAA O=C1CCCN1CCN1C[C@H](O)[C@@H](N2CCCCC2)C1 670469372 VUKNTZWNBGVHPH-KBPBESRZSA-N 281.400 0.140 0 50 CCAA C[C@H](CNS(=O)(=O)C1CC1)NCc1cc(C2CC2)n[nH]1 584902530 AOKZHNJXTODLNO-SECBINFHSA-N 298.412 0.847 0 50 CCAA Cc1ccnn1CCC(=O)NCCN1CCCC[C@@H]1CO 670452530 SBRWFTQDRBNIGI-CQSZACIVSA-N 294.399 0.545 0 50 CCAA COc1cncc(N2CCN(Cc3cnnn3C)CC2)c1 1550538554 IMUQMLUUTBAQOJ-UHFFFAOYSA-N 288.355 0.541 0 50 CCAA O=C([C@@H]1CC12CC2)N1CCCC[C@@H]1Cc1nn[nH]n1 1875285834 BITVZGDRNQZMDR-ZJUUUORDSA-N 261.329 0.923 0 50 CCAA CN1C(=O)CC[C@H]1CNC(=O)c1cc(O)nc(C2CC2)n1 1875306853 DPGLRQPGFUXADU-VIFPVBQESA-N 290.323 0.410 0 50 CCAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC(=O)NC2CC2)C1 888077448 BOWMWXZUVYZCBY-GHMZBOCLSA-N 264.329 0.450 0 50 CCAA O=C1NC[C@H](O)CC12CN(c1ncc(Cl)s1)C2 1775278691 REHXVMCBTYRFQH-ZCFIWIBFSA-N 273.745 0.484 0 50 CCAA C=CC(=O)N1CC[C@](C(=O)NC)(C(F)(F)F)C1 1776007334 XKZMJACKESRDFR-VIFPVBQESA-N 250.220 0.699 0 50 CCAA Cc1cc(C(=O)NCc2cc(O)nc(O)n2)ccc1O 1418187693 JPABAOOPPZHHHY-UHFFFAOYSA-N 275.264 0.832 0 50 CCAA CS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 19572543 IWQSKHYHXALZML-UHFFFAOYSA-N 272.345 0.903 0 50 CCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccncc1F 1565513480 GFCHCVFIKUMGDU-RYDUCSDGSA-N 293.298 0.243 0 50 CCAA O=C1CC[C@@H](N2C(=O)c3cc(F)c(F)cc3C2=O)C(=O)N1 90015072 AGHXYRKTAZEQQW-SECBINFHSA-N 294.213 0.366 0 50 CCAA CC(=O)NC[C@@H]1CN(c2nc3ccccc3[nH]2)CCO1 170591111 MDVGTGQJVABGRX-LLVKDONJSA-N 274.324 0.904 0 50 CCAA COC(=O)CN(C)C(=O)[C@H](C)NC(=O)C1CCCCC1 170620283 KXVSIAIEKYQARV-JTQLQIEISA-N 284.356 0.703 0 50 CCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN[C@H](C)C1 187154078 HGQBVAVXTPXESK-SSDOTTSWSA-N 292.792 0.364 0 50 CCAA CN(CCN(C)C1CC1)C(=O)c1cn(C)c(O)n1 408522106 CZIPMNSDXQYXBQ-UHFFFAOYSA-N 252.318 0.292 0 50 CCAA C[C@H]1C[C@@H](NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)C(=O)O1 408521023 FVGBAVCHISJKAZ-IVZWLZJFSA-N 298.339 0.816 0 50 CCAA Cc1cnn(CC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)c1 564802082 YIYZCBGQHQWZFN-AXFHLTTASA-N 263.297 0.656 0 50 CCAA CCOCn1nnc2c(cnn2-c2ccccc2)c1=O 195562347 IPMWWQYDQCSLHS-UHFFFAOYSA-N 271.280 0.971 0 50 CCAA CN(C)C(=O)c1cccc(NC[C@](C)(O)CCCO)n1 1506431553 OQSXIIPTYUPNAF-CQSZACIVSA-N 281.356 0.719 0 50 CCAA CNC(=O)C[C@H]1CCN(c2cc(N)nc(SC)n2)C1 1506398038 SOGZBMKKSQBYNW-MRVPVSSYSA-N 281.385 0.743 0 50 CCAA CC1=C(C(=O)N2CCC[C@](O)(CO)CC2)OCCO1 1506422697 CCYPMZVKWBRDMT-CYBMUJFWSA-N 271.313 0.001 0 50 CCAA Cc1n[nH]c(C)c1CCCN(C)CCS(C)(=O)=O 1529196348 YICWJTBGBPRABT-UHFFFAOYSA-N 273.402 0.936 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CCCS(=O)(=O)CC1 408127470 FENBIJOOGQUANW-UHFFFAOYSA-N 290.772 0.939 0 50 CCAA N[C@@H]1CS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]12 688558797 AJIDGOHWFMMKPN-JHJVBQTASA-N 266.366 0.243 0 50 CCAA CC[C@@H](C)[C@@H](C(=O)NCCCn1ccnc1)n1cnnn1 1615156290 UGCKCXPUCRQUHC-NEPJUHHUSA-N 291.359 0.663 0 50 CCAA Cc1nc(N2C[C@@H]3CNC[C@@]3(CO)C2)c2ccccc2n1 1772710384 UREHDOCLFBHRRW-LRDDRELGSA-N 284.363 0.956 0 50 CCAA NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 20508702 JKGRWCOPMPGQCI-QPJJXVBHSA-N 259.353 0.803 0 50 CCAA O=C(O)c1ccccc1S(=O)(=O)N1CCOCC1 11920537 YTQKWJNSSYODEV-UHFFFAOYSA-N 271.294 0.406 0 50 CCAA CCN(CC)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 16621992 MYGIULYZPIFUJO-UHFFFAOYSA-N 286.353 0.825 0 50 CCAA COc1ccc(CN2C(=O)N[C@@]3(CCCNC3)C2=O)cc1 168107638 HLQXHLBNEWLJAI-OAHLLOKOSA-N 289.335 0.869 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2cc(C)on2)C[C@@H]1O 1857726600 YXHNDJQJACKROA-GXTWGEPZSA-N 282.340 0.969 0 50 CCAA CCC[C@@]1(CO)CN(Cc2noc(C)n2)CC[C@@H]1O 1857736425 ODMAVWRCDKFAMX-AAEUAGOBSA-N 269.345 0.723 0 50 CCAA COc1ncccc1CN1CCN2[C@@H](C)COC[C@H]2C1 1875251370 BZUJGVAHNCNNKI-GXTWGEPZSA-N 277.368 0.995 0 50 CCAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1nn[nH]n1 630940541 HSSRUXQHGQFDBR-WDEREUQCSA-N 278.360 0.218 0 50 CCAA C[C@@H]1CCC[C@H](OCC(=O)N2CCO[C@H](C(=O)O)C2)C1 532256437 FHRZKDYLTSSNAH-WOPDTQHZSA-N 285.340 0.894 0 50 CCAA Cc1nc(C)c(C(=O)N2CCC([C@H](O)CO)CC2)o1 1772701674 NQOAEWIUPKJUDR-LLVKDONJSA-N 268.313 0.497 0 50 CCAA NCC[C@@H](NC(=O)c1n[nH]c2c1CNCC2)C(F)(F)F 834861285 HNATZOKMIBLGID-MRVPVSSYSA-N 291.277 0.065 0 50 CCAA CN(CC(=O)N1CCOCC1)CC1=CCCOC1 162353630 PEVLDTOMABSCSL-UHFFFAOYSA-N 254.330 0.124 0 50 CCAA CC(CO)(CO)CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 393882366 RURCGJSOCXWNNX-SRVKXCTJSA-N 255.358 0.920 0 50 CCAA NCCc1ccc(CN2CC[C@@H](O)[C@@H](CO)C2)cc1 399083704 QLTALQOGBQEYCA-HUUCEWRRSA-N 264.369 0.363 0 50 CCAA Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 874830 OJMPLCRVIRCWAV-SNVBAGLBSA-N 256.327 0.726 0 50 CCAA COC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@]21O 2465943 IPJBYSCSCXDDEE-VHSKPIJISA-N 274.342 0.205 0 50 CCAA COC(=O)[C@@H]1C(=O)c2ccccc2S(=O)(=O)N1C 3594197 GIQCXAYKJYPPFK-VIFPVBQESA-N 269.278 0.045 0 50 CCAA Cc1cc(C)n(C[C@@H](O)CN2C(=O)NC(C)(C)C2=O)n1 6922171 ZMXYJONAFPIYBK-JTQLQIEISA-N 280.328 0.191 0 50 CCAA CCCN(CC(=O)NC)C(=O)OC[C@@H]1CCCO1 225834480 DOMQEROODQFMRB-JTQLQIEISA-N 258.318 0.760 0 50 CCAA Cc1nc(S)sc1CC(=O)N1CCC[C@@H]1C(N)=O 112897796 BFMZYMLKOWYOQQ-SSDOTTSWSA-N 285.394 0.759 0 50 CCAA C[C@H]1C(=O)NCCN1C(=O)CCC1CCNCC1 113214383 JSRYKNVZENLFCU-JTQLQIEISA-N 253.346 0.113 0 50 CCAA NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 21787894 HXBDUITYGWWWCR-UHFFFAOYSA-N 282.365 0.714 0 50 CCAA O=C(N[C@@H]1COCC[C@H]1O)c1cc(=O)c2ccccc2o1 222943420 ZWVRZLFUCYYBQA-GHMZBOCLSA-N 289.287 0.673 0 50 CCAA CCCNc1ncc(CN2CCN(C)C(=O)[C@H]2C)cn1 67540087 YQVYCAPYFYNCKO-LLVKDONJSA-N 277.372 0.961 0 50 CCAA COc1cccc(OC[C@@H](O)CN[C@@H](C)CCO)c1 32587005 KFEGBVPAFCKJRS-RYUDHWBXSA-N 269.341 0.795 0 50 CCAA Cc1c[nH]nc1CN1CCN([C@@H]2CCCCNC2=O)CC1 378127999 HJQGFNZGIDUZEW-CQSZACIVSA-N 291.399 0.504 0 50 CCAA CC(C)Cc1cc(C(=O)NCCN2CCOCC2)n(C)n1 72479116 QLHSZWSWESCUSD-UHFFFAOYSA-N 294.399 0.681 0 50 CCAA CN1CCN(C(=O)[C@H]2CCCOC2)C[C@H]1c1ncc[nH]1 328621502 HTKCTJADWRIZPL-RYUDHWBXSA-N 278.356 0.651 0 50 CCAA Cc1nsc(N2CCC[C@H](n3cc(CO)nn3)C2)n1 328721984 XFKQBSVLPIVLGF-JTQLQIEISA-N 280.357 0.772 0 50 CCAA CN(C)Cc1nnc(C(=O)N(C)C[C@@H]2CCCCO2)o1 71771743 SNTNRFDRSUMZDD-JTQLQIEISA-N 282.344 0.772 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(C(=O)c3cc4ccccc4[nH]c3=O)C[C@H]21 217066465 QBMMLHXUSIGYJG-PJXYFTJBSA-N 298.298 0.931 0 50 CCAA CC(C)N1C[C@H](C(=O)NCCSc2cn[nH]n2)CC1=O 77471574 CBLSLEXGNVWMOT-SECBINFHSA-N 297.384 0.270 0 50 CCAA O=C(O)CNC(=O)N1CCN(c2ccccc2)CC1 35321289 VKYRBKYZCUDOGU-UHFFFAOYSA-N 263.297 0.603 0 50 CCAA Cc1nnsc1C(=O)N1CCOC[C@@H]1CC(=O)O 128283694 VTQIVFISKQMLSX-ZETCQYMHSA-N 271.298 0.162 0 50 CCAA CC(C)[C@H](NC(=O)Cc1cccc(C(=O)O)c1)C(N)=O 262273100 YLVPVNGJMROELW-LBPRGKRZSA-N 278.308 0.553 0 50 CCAA CCCc1cc(C(=O)NC[C@@H]2CNCCOC2)n(C)n1 77407139 CIZCRABUNKGXBU-NSHDSACASA-N 280.372 0.338 0 50 CCAA CCN(C)[C@H](C)CCNc1nc(N)nc2c1CCNCC2 72418366 FEGCVDBJCZCMSV-LLVKDONJSA-N 292.431 0.889 0 50 CCAA CC(C)n1cnnc1[C@@H](C)NC(=O)CNC(=O)N(C)C 221154363 KBJAYSRWMCEDEN-SECBINFHSA-N 282.348 0.307 0 50 CCAA C[C@@H](CNC(=O)CCn1cncn1)Oc1cccnc1 221442046 CQFLAIHVOLTENW-NSHDSACASA-N 275.312 0.647 0 50 CCAA Nc1nc(=NC2CCOCC2)cc([C@H]2CCOC2)[nH]1 426493875 ADHGVBIGBYFSKO-VIFPVBQESA-N 264.329 0.576 0 50 CCAA Cc1cc(C)n2c(C(=O)NC[C@H](C)n3ccnc3)nnc2n1 222321348 UZKLVOURQZQYMV-NSHDSACASA-N 299.338 0.929 0 50 CCAA COCC1(C(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 339880809 QYRIEKOEBYWNET-VIFPVBQESA-N 261.343 0.106 0 50 CCAA O=C(Nc1cc(F)cc(F)c1)N1CC[C@](O)(CO)C1 96153898 WHDXTGXZMSYWRB-GFCCVEGCSA-N 272.251 0.926 0 50 CCAA CC[C@@H](NC(=O)CSc1nnnn1C)c1ccncc1 91059749 KWIVSRWUYKNBRR-SNVBAGLBSA-N 292.368 0.965 0 50 CCAA CN1C[C@@H](C(=O)NCCc2c[nH]cn2)Oc2ccccc21 97785000 LSBPTPMWCNYMNS-AWEZNQCLSA-N 286.335 0.966 0 50 CCAA Cc1cnc2c(C(=O)N[C@H]3C=CS(=O)(=O)C3)cnn2c1 97578738 MLWISPFLIQAFQV-VIFPVBQESA-N 292.320 0.078 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)NCCn2ccnn2)n1 252479640 BJBDIELOKLKOAC-LLVKDONJSA-N 262.317 0.469 0 50 CCAA CCc1nn(C)cc1CN[C@H]1COC[C@H]1n1ccnn1 299745994 UPCZMPRLEKBVDR-QWHCGFSZSA-N 276.344 0.304 0 50 CCAA CC(C)c1noc(CN2C[C@H](O)C[C@H]2C(=O)O)n1 253094588 NQUQXBZISUHIKF-SFYZADRCSA-N 255.274 0.213 0 50 CCAA Cc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1C 251993402 JWZXDMQOJGLNJM-RHZHCTOVSA-N 267.325 0.543 0 50 CCAA CC(C)Cc1nc(CNC(=O)N2CCC[C@@H]2CO)no1 534577626 FMKZVOSUOYCHNK-SNVBAGLBSA-N 282.344 0.934 0 50 CCAA Nc1ncc(C(=O)N2CCC[C@]3(CCNC3)C2)s1 534652412 QDLDEMRFROPHIZ-GFCCVEGCSA-N 266.370 0.941 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1ncoc1C(C)C 824506327 AMNOONSHDPCLNS-IUCAKERBSA-N 254.286 0.942 0 50 CCAA CC(C)[C@H](CNC(=O)CCS(C)(=O)=O)N1CCCC1 820696208 AJZOUAVIBRKELC-LBPRGKRZSA-N 290.429 0.658 0 50 CCAA Cc1cc(CN(C)C(=O)NCCc2nc(N)n[nH]2)ccn1 827884210 VZFBTGUJSYIXFE-UHFFFAOYSA-N 289.343 0.474 0 50 CCAA O=C(Cn1cc(-c2ccccc2)nn1)N1CCC[C@@H](O)C1 268511916 WUENRGVFMYDULQ-CYBMUJFWSA-N 286.335 0.928 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)c2cccnc2OC)C1 670465114 QFQYYMFESMMMFF-SNVBAGLBSA-N 277.324 0.688 0 50 CCAA COC(=O)/C=C/CNC(=O)Cn1ncc2cc(C)cnc21 1875273043 ZHZOOVKAMNUWBS-ONEGZZNKSA-N 288.307 0.585 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 952991178 POFRIDPLGWGJNV-IEECTRCBSA-N 275.356 0.123 0 50 CCAA COc1ccccc1OCc1nc(CCN)n(CCO)n1 952860390 OJRDJKNAYLPRMT-UHFFFAOYSA-N 292.339 0.359 0 50 CCAA Cc1cnccc1N1CCCN(C(=O)[C@@H]2C=CCN2)CC1 952985525 HWEOFRYYFYSPOV-AWEZNQCLSA-N 286.379 0.957 0 50 CCAA CC[C@@H](C(=O)NCCC(=O)N1CCCC1)N(C)CC 952868561 CCYFLFFTSWLLAL-LBPRGKRZSA-N 269.389 0.845 0 50 CCAA C=CC(=O)NCCC(=O)N1CC[C@H](C(=O)OCC)C1 884744070 VFRPUZDIXBIILQ-JTQLQIEISA-N 268.313 0.090 0 50 CCAA CN1CCN(Cc2ccncc2Cl)C[C@H]1C(=O)O 244659741 HIAHMUYCTHZHNE-NSHDSACASA-N 269.732 0.936 0 50 CCAA N[C@@H]1CN(C(=O)c2cnc3nccn3c2)CC12CCC2 1775962607 VPUQYLBZRCEMLG-LLVKDONJSA-N 271.324 0.683 0 50 CCAA CCN(C)C(=O)N1C[C@@H](N)[C@H](c2cn(C)cn2)C1 1775962040 OUDDHWPTGIIRHI-NXEZZACHSA-N 251.334 0.218 0 50 CCAA C[C@H](C(=O)NC(N)=O)N1CCO[C@@H](c2cccs2)C1 246585954 AXIVDMSXLFPBSE-RKDXNWHRSA-N 283.353 0.705 0 50 CCAA COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 85221784 OULNMKPQUKNAHO-DTWKUNHWSA-N 259.302 0.777 0 50 CCAA in-vitro C[C@H]1CCCCCN1S(=O)(=O)C[C@H]1CN(C)CCO1 631969890 GOUXHASEUDJJGZ-QWHCGFSZSA-N 290.429 0.911 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(COCC(=O)N2)C1 95698551 CEELYFNIOBDZTC-LBPRGKRZSA-N 256.302 0.512 0 50 CCAA in-vitro O=C(O)Cn1nc(Br)nc1Br 96509876 UGJFLUMFFUGHIS-UHFFFAOYSA-N 284.895 0.888 0 50 CCAA in-vitro COC(=O)C1(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)CC1 408261671 SICMRQQREHRXPY-IUCAKERBSA-N 253.298 0.454 0 50 CCAA O=C1[C@H]2COC[C@H]1CC(C(=O)N1CC(OC(F)F)C1)C2 517833830 OMKSZLAKZXNCGP-RKDXNWHRSA-N 289.278 0.678 0 50 CCAA O=C([C@H]1CCCO1)N1CCS(=O)(=O)C[C@@H]1C1CCC1 413890395 BBUSPEAVAJXXRN-VXGBXAGGSA-N 287.381 0.591 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)NCCc1ccnn1C 190259201 CGHZDBXKIDDQCB-PWSUYJOCSA-N 251.330 0.894 0 50 CCAA Cc1ccc(C(=O)NCCC(=O)N2CCOCC2)o1 192783691 VRYGWSDAXBWHPA-UHFFFAOYSA-N 266.297 0.567 0 50 CCAA C[C@H]1CCN(C(=O)N[C@H]2C[C@H](C(=O)O)C2)CCO1 720475903 PGUDHTPCBPJHRU-GUBZILKMSA-N 256.302 0.670 0 50 CCAA Cc1cc2c(N3CC[C@](O)(Cn4ccnn4)C3)nccn2n1 671466966 SVLIKKDWFBLBCR-CQSZACIVSA-N 299.338 0.271 0 50 CCAA Nc1cncc(N2CCN(CC(F)(F)F)CC2)n1 111177894 OXKKXYXWYPSQFF-UHFFFAOYSA-N 261.251 0.743 0 50 CCAA CCc1nn(C)cc1CN1C[C@@H](OC)C[C@H]1C(N)=O 671447700 OCXYLTYIGNWDHH-JQWIXIFHSA-N 266.345 0.057 0 50 CCAA COCCN1CN(C(=O)[C@@H]2CC23CCOCC3)CC1=O 374537900 OTVBGRJZZRYGIR-NSHDSACASA-N 282.340 0.078 0 50 CCAA Cc1nc(O)c2c(n1)CN(C[C@H]1CCC(=O)N(C)C1)CC2 1775980824 BWOKMGYFOUMDNJ-NSHDSACASA-N 290.367 0.717 0 50 CCAA CO[C@H](C)CS(=O)(=O)Nc1n[nH]cc1Cl 1775987488 HHSBEJJXDGZCJW-RXMQYKEDSA-N 253.711 0.840 0 50 CCAA CCc1nc(CN(C)CC[C@H]2COCCO2)no1 1775983440 XQVFKMYZSGTVBD-JTQLQIEISA-N 255.318 0.869 0 50 CCAA CCc1nc(N2C[C@H]3CNC[C@@]3(CN(C)C)C2)no1 1775980268 WUMIKCKYYATJSZ-ZWNOBZJWSA-N 265.361 0.219 0 50 CCAA COc1cc(CN2C[C@@H]3[C@@H](C2)C3(CO)CO)ccn1 1772809542 XPPCSSBSCYYXLW-VXGBXAGGSA-N 264.325 0.123 0 50 CCAA O=C(NCCO)[C@H]1CNC[C@@H](COc2cccc(F)c2)C1 14745341 PNMAIUITUCRCCJ-NWDGAFQWSA-N 296.342 0.539 0 50 CCAA Cn1nnc([C@@H](O)CNCc2ccc(F)cc2)n1 19858323 NOAOFBHUAGFLBT-JTQLQIEISA-N 251.265 0.172 0 50 CCAA C[C@H](O)[C@@H](N)C(=O)OB(c1ccccc1)c1ccccc1 169744585 YWSHJDZMGRKKKP-SWLSCSKDSA-N 283.136 0.044 0 50 CCAA CN(Cc1nc[nH]n1)Cc1ccccc1S(N)(=O)=O 1647272787 AINROONJSIQHBL-UHFFFAOYSA-N 281.341 0.084 0 50 CCAA O=C(COC1CC1)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 1551447072 DIHHRGRRECKOOU-MPKXCIJOSA-N 253.298 0.781 0 50 CCAA CC(C)(C)n1nc(CC(N)=O)nc1-c1cccc2nn[nH]c12 1857670180 ZKJXYQGIKDORGU-UHFFFAOYSA-N 299.338 0.999 0 50 CCAA Cc1ccc2nc[nH]c(=NCCCN3CCOCC3)c2n1 1857673262 MHDBUXLTMRIHIS-UHFFFAOYSA-N 287.367 0.889 0 50 CCAA CN1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CCCOC2)C1 328642523 RCBQLUJRSGJGNF-LSDHHAIUSA-N 296.411 0.982 0 50 CCAA CCNCCCNCCCCNCCCNCC 3776794 PGMIWVSHZMWSSI-UHFFFAOYSA-N 258.454 0.945 0 50 CCAA in-vitro O=C(N1CC[C@@H](CN2CCOCC2)C1)C1(O)CCCC1 363575731 UTBFVODNNHDWET-ZDUSSCGKSA-N 282.384 0.472 0 50 CCAA O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1C[C@@H]2COC[C@]2(C(=O)O)C1 902061000 VDLCDTLVGOCGDE-VINAVUOLSA-N 295.335 0.361 0 50 CCAA CC1(C)CN(S(=O)(=O)NCCc2cnoc2)CCO1 907383333 BXWXAUPPPKLPAG-UHFFFAOYSA-N 289.357 0.162 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H](C(=O)O)O1 909896848 DONLRSKMUXFVAP-SASUGWTJSA-N 293.323 0.224 0 50 CCAA NC(=O)CC1CCN(CC[C@H]2COCCO2)CC1 1775980009 RRYPPSLMGDDCCF-LBPRGKRZSA-N 256.346 0.379 0 50 CCAA COC1(C(=O)N(C)CC2(O)CCOCC2)CCC1 408442011 JUKXIMYUTTYOGZ-UHFFFAOYSA-N 257.330 0.555 0 50 CCAA Cc1ncn(C)c1C(=O)N1CC[C@H](C(C)(C)O)C1 670468975 FFQMLOONBMJUCS-JTQLQIEISA-N 251.330 0.962 0 50 CCAA Cc1nnc(NCCS(=O)(=O)N2CCCC2)o1 95357627 LADJAALTQLJJEL-UHFFFAOYSA-N 260.319 0.216 0 50 CCAA CS(=O)(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)O)C1 1875272606 SSXCHHIGOXTYKL-JLIMGVALSA-N 289.353 0.179 0 50 CCAA CNc1ncnc2c1cnn2C[C@@H](O)C[C@H]1CCCO1 2325777306 UNECYINUCLDQJV-VHSXEESVSA-N 277.328 0.798 0 50 CCAA Cc1ccc(-c2nc(N)n(S(C)(=O)=O)n2)cc1 350060 ZORRIYZQHRBZQT-UHFFFAOYSA-N 252.299 0.643 0 50 CCAA Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)NCCCO 1816334 LTHDEOLHQDOWDP-AATRIKPKSA-N 299.348 0.754 0 50 CCAA C[C@H]1COC[C@H]2CN(Cc3ccn4ncnc4c3)CCN12 2356162722 PWULQNQISHQDIW-GXTWGEPZSA-N 287.367 0.634 0 50 CCAA O=c1[nH][nH]c(=O)n1-c1ccc(Br)cc1 59705373 FTNWOFQRIBNMSU-UHFFFAOYSA-N 256.059 0.616 0 50 CCAA N[C@H]1CN[C@H](C(=O)NCCCCc2ccccn2)C1 67691274 AOYYRKOGDZVJIG-YPMHNXCESA-N 262.357 0.210 0 50 CCAA CC1(C)O[C@@H]2O[C@@H]([C@@H]3COC(C)(C)O3)[C@@H](O)[C@@H]2O1 22116666 KEJGAYKWRDILTF-SVSWQMSJSA-N 260.286 0.375 0 50 CCAA CNC(=O)CCN(C)C(=O)Cn1c(=O)oc2ccccc21 170816428 AWXVVMOSINOTKJ-UHFFFAOYSA-N 291.307 0.189 0 50 CCAA CNS(=O)(=O)CCNc1ncc2ccccc2n1 231005048 ADMGCSFRSTTXLF-UHFFFAOYSA-N 266.326 0.591 0 50 CCAA Cc1nc(C)c(C(=O)N2CCNC(=O)[C@H]2C(C)C)nc1C 185032239 WDUISTTZLYMHTB-CYBMUJFWSA-N 290.367 0.998 0 50 CCAA O=C(Cc1ccccn1)NCCSc1cn[nH]n1 216195991 HFEUDCKIXPBBSM-UHFFFAOYSA-N 263.326 0.651 0 50 CCAA O=C(NC1CC1)c1noc([C@@H]2CCCN2CCO)n1 328633154 LTUCDGSZJPQCKB-VIFPVBQESA-N 266.301 0.091 0 50 CCAA Cn1nc(-c2ccccc2)cc1C(=O)NCc1nn[nH]n1 215337028 RJFBNVMDUCJFLH-UHFFFAOYSA-N 283.295 0.530 0 50 CCAA O=C(NCc1nnnn1-c1ccccc1)c1ccc[nH]c1=O 216091746 DCHLMOYCBXOIGU-UHFFFAOYSA-N 296.290 0.281 0 50 CCAA CN(CC1CC1)C[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 329903602 IKLWSRNUZJUDFU-NSHDSACASA-N 263.345 0.609 0 50 CCAA Cc1nccn1CCCC(=O)N1CCOC[C@@H]1CC(=O)O 72163560 RSVXWHYZNNLAPN-LBPRGKRZSA-N 295.339 0.674 0 50 CCAA O=C(CN1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1)Nc1nccs1 333075748 KVORYECEILJJLR-LMLFDSFASA-N 277.349 0.967 0 50 CCAA C[C@@H]1CCCN(C(=O)CCN2CCCC2=O)[C@@H]1CN 237489110 SKSPVWCFIIHFQZ-VXGBXAGGSA-N 267.373 0.585 0 50 CCAA COc1ccc(CN2C[C@H](N(C)C)C[C@H]2CO)cn1 215936303 MCGOQIXKTWKYOW-OLZOCXBDSA-N 265.357 0.587 0 50 CCAA COC[C@@](C)(NC(=O)Cc1cc(C)on1)C(=O)O 262090175 LMADGIDDTJHVFI-LLVKDONJSA-N 256.258 0.131 0 50 CCAA Cc1nc[nH]c1CSCCNC(=O)c1cnn[nH]1 72165640 GIOZBRJTGMSXHV-UHFFFAOYSA-N 266.330 0.499 0 50 CCAA Cc1nccn1CC1(CNC(=O)[C@H]2CNCCO2)CC1 215211380 PZBYLMMOOGSUDZ-GFCCVEGCSA-N 278.356 0.076 0 50 CCAA O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2nccnc2C1=O 72220571 GAYVOBFJOVTTDR-JTQLQIEISA-N 297.270 0.769 0 50 CCAA O=C(CN1Cc2ccccc2C1=O)NC1(C(=O)O)CC1 263139970 JGOATKNJYHIYQD-UHFFFAOYSA-N 274.276 0.376 0 50 CCAA Cc1c(C(=O)N(C)[C@@H](C)CN)cccc1N1CCNC1=O 179186239 LNDQBMYSKALINC-JTQLQIEISA-N 290.367 0.944 0 50 CCAA O=C(NCCCc1nnc2ccccn12)c1cccc(=O)[nH]1 222537808 KPADHLZOWGWIFW-UHFFFAOYSA-N 297.318 0.780 0 50 CCAA COCCOc1ccc(C(=O)N2CC[C@@H](N)C2)cc1 178350447 GUFCIEMGYWKXFF-GFCCVEGCSA-N 264.325 0.885 0 50 CCAA C[C@H](NC(=O)c1ncc(F)cc1F)c1ncnn1C 223623083 KINMKCACCWFVRQ-LURJTMIESA-N 267.239 0.979 0 50 CCAA O=C(CN1CCc2ccccc21)N[C@@H]1CCOC[C@H]1O 223034919 YRNOMJIGQUNCPL-TZMCWYRMSA-N 276.336 0.315 0 50 CCAA O=C(O)CN1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91452041 IOBSMWTXNMRQTJ-AWEZNQCLSA-N 266.341 0.796 0 50 CCAA CCc1cnc(NCc2nncn2CCOC)nc1 95391560 GRLUUEQCBMBJLN-UHFFFAOYSA-N 262.317 0.889 0 50 CCAA Cn1nnc(CN2CCC[C@H](c3ccncc3)C2)n1 295686807 CVQRMJKMBKNEPQ-LBPRGKRZSA-N 258.329 0.985 0 50 CCAA Cc1cc(C)c(CNC(=O)CCNS(C)(=O)=O)cn1 252485131 GNXPWDJIQPOYIK-UHFFFAOYSA-N 285.369 0.254 0 50 CCAA NC(=O)CC[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1 355407526 KGXOWCMBFPZQJC-NSHDSACASA-N 289.401 0.305 0 50 CCAA CN1CCC[C@H]1C(=O)N1CCN(C2CCOCC2)CC1 355905400 LMWZUQKMVOONHI-AWEZNQCLSA-N 281.400 0.404 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@H](CC(=O)O)C(C)C)c(=O)n1 534642182 SPFHVBYQPSQEED-LLVKDONJSA-N 295.339 0.476 0 50 CCAA COC[C@@H]1CCCN1C(=O)CN(C)C1CCNCC1 534666246 OLLKMISIGVDLLM-ZDUSSCGKSA-N 269.389 0.308 0 50 CCAA Cc1cc(C)n(CCNC(=O)CCc2nc(O)n[nH]2)n1 1940196261 WFDTVNIZUIOEGJ-UHFFFAOYSA-N 278.316 0.073 0 50 CCAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1c[nH]c(=O)cn1 828930839 TWUASVPKAIOVEY-NSHDSACASA-N 289.339 0.811 0 50 CCAA Cc1nccc(C2CCN(C(=O)CN(C)C(N)=O)CC2)n1 823630968 YECYZWXVHSMFFQ-UHFFFAOYSA-N 291.355 0.502 0 50 CCAA COCCc1noc(CN(C)C(=O)Cc2ccccn2)n1 824462329 GVZKZUZBDABNPO-UHFFFAOYSA-N 290.323 0.855 0 50 CCAA C[C@@H](CN1CCN(C)CC1)NCC1(CO)CCCC1 828686775 UWSYDRLDAUMDRK-AWEZNQCLSA-N 269.433 0.765 0 50 CCAA CCc1noc(CCN[C@H](C)CS(C)(=O)=O)n1 584897741 TVCSSYINVBLUNL-MRVPVSSYSA-N 261.347 0.197 0 50 CCAA Cc1nonc1CNC(=O)c1nnc2n1CCCCC2 584894088 QWHZIZLNTZDMAC-UHFFFAOYSA-N 276.300 0.626 0 50 CCAA CNS(=O)(=O)CCn1cnc2c(C)c(C)ccc2c1=O 584885836 VIEYAIWMYDCYHY-UHFFFAOYSA-N 295.364 0.563 0 50 CCAA NC(=O)C1(NC(=O)CCCN2CCCC2=O)CCCCC1 670444742 QIRAZOJXZJWLIL-UHFFFAOYSA-N 295.383 0.693 0 50 CCAA CCN1C[C@@H](CN(C)c2ccc(C(N)=O)cn2)CC1=O 670460728 ULRALNNPEDCBJY-SNVBAGLBSA-N 276.340 0.485 0 50 CCAA CC(C)c1ocnc1C(=O)NCCc1noc(CO)n1 670444425 IQEVULQOKKFVME-UHFFFAOYSA-N 280.284 0.646 0 50 CCAA O=C(NCCN1CC[C@H](O)C1)c1nc2cc(F)ccc2[nH]1 1875290927 IXWIXCJBFAMVEI-JTQLQIEISA-N 292.314 0.498 0 50 CCAA NC(=O)[C@H]1CC(=O)NCCN1C/C=C/c1ccccc1 1875308010 PMIKIJMTGSVNEK-WXJAXGNASA-N 273.336 0.376 0 50 CCAA O=C1NC(=O)C2(n3c(=O)oc4ccccc43)CC1C2 1875386954 GSFLBCQAYXRMPR-UHFFFAOYSA-N 258.233 0.356 0 50 CCAA CN1C[C@@H](O)[C@H](CC(=O)NCc2cncc3c2CCC3)C1 1875403981 NUTAECKOFDJDQY-IUODEOHRSA-N 289.379 0.499 0 50 CCAA COC(=O)[C@H]1CCN1C(=O)N(C)CC(F)(F)F 888069075 XPSGVTLIMKODLD-ZCFIWIBFSA-N 254.208 0.848 0 50 CCAA C[C@H](NC(=O)c1cnsn1)c1nn(C)cc1O 1179919796 CDGBAJPGOMISJJ-YFKPBYRVSA-N 253.287 0.468 0 50 CCAA Cn1cc(C(=O)N[C@@H]2CCN(CC(F)F)C2)nc1O 1434100425 UCUVIRAZUMYEPR-SSDOTTSWSA-N 274.271 0.195 0 50 CCAA O=C(c1c[nH]c2ncccc12)N1CC[C@H](CO)[C@@H](O)C1 546696881 ZJQNPMUGSKMEKJ-SKDRFNHKSA-N 275.308 0.378 0 50 CCAA NC(=O)[C@@]1(O)CCN(c2ncnc3c2oc2ccccc23)C1 276463668 NIBDPDXIWUSDRY-OAHLLOKOSA-N 298.302 0.803 0 50 CCAA CC(C)(C)[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CC2)CCO1 408204766 VYMWWFQDSKWYHJ-JTQLQIEISA-N 289.397 0.837 0 50 CCAA C[C@@H]1CN(c2ncnc(N)c2Cl)CC[S@](=O)C1 277758734 KFBPVOMZAYDVLX-GJEGPGMTSA-N 274.777 0.917 0 50 CCAA O=C(NS(=O)(=O)[C@H]1CCOC1)c1ccccc1 408383888 INSWUZFFJSKUTO-JTQLQIEISA-N 255.295 0.535 0 50 CCAA CC(C)n1nccc1C(=O)N[C@@]1(CCO)CCOC1 278246773 ZZLCIRYCPXHNJE-ZDUSSCGKSA-N 267.329 0.735 0 50 CCAA Cc1ncc(CNC(=O)c2cc3n(n2)CCCO3)c(=N)[nH]1 518983137 DMIILLXPJZJECB-UHFFFAOYSA-N 288.311 0.107 0 50 CCAA CC[C@H](O)CN1CCN(c2cccc(F)c2C(N)=O)CC1 585138756 SYFBROYFSQBDHT-NSHDSACASA-N 295.358 0.818 0 50 CCAA CCNC(=O)N(CCN1CCOCC1)[C@H]1CCSC1 585115327 WREUKWQYACBOEA-LBPRGKRZSA-N 287.429 0.856 0 50 CCAA c1cc2n(n1)C[C@H](CN1CCO[C@@H]([C@H]3CCCO3)C1)CN2 684195450 AITGLWHMEIHVSN-BFHYXJOUSA-N 292.383 0.805 0 50 CCAA Cn1cc(C(=O)Nc2nnnn2C)c(C(F)F)n1 904194859 OCOSNXUFHHSTPI-UHFFFAOYSA-N 257.204 0.134 0 50 CCAA Cc1cc(C(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)cc(C)c1O 1704297251 WHIDEDLBOMPYJV-NWDGAFQWSA-N 293.319 0.917 0 50 CCAA CO[C@@H]1C[C@H](N(C)S(=O)(=O)C2COC2)C12CCC2 333057277 HSDWIUGAARBXTR-WDEREUQCSA-N 275.370 0.604 0 50 CCAA NC(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OCCCF 1615001956 OUEZMRYRBSAYHU-VXGBXAGGSA-N 298.314 0.530 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1C(=O)O 262085409 FVCGJDPJQXOUEG-GARJFASQSA-N 271.313 0.646 0 50 CCAA Cc1nccn1C[C@H](C)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772807265 LHIBRWZOABQKID-CYZMBNFOSA-N 265.357 0.113 0 50 CCAA CN1CCC[C@]2(CCCN(CCCn3cnnn3)C2)C1 19147943 CMEUUNOBZSHVJY-AWEZNQCLSA-N 278.404 0.871 0 50 CCAA Cc1cnc(N2C[C@@H]3CCOC[C@]3(CO)C2)nc1N(C)C 1857669148 PZBYALOREFIOEX-SWLSCSKDSA-N 292.383 0.686 0 50 CCAA COC(=O)[C@@](C)(O)CN1CCC[C@@H](C(=O)NCC2CC2)C1 252549466 RGLVOMJWKATBCK-DOMZBBRYSA-N 298.383 0.149 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1 262915354 DHHDNOPRYDBHSF-ZDUSSCGKSA-N 291.303 0.476 0 50 CCAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)CN1CCCC1 910202647 IVERUXDEAWBRIY-CYBMUJFWSA-N 278.308 0.886 0 50 CCAA Cc1cc2c(N3CCC(NCCO)CC3)nccn2n1 290981195 RQCJSMGMALXNID-UHFFFAOYSA-N 275.356 0.588 0 50 CCAA CC[C@H](C)[C@H](NC(=O)c1c(C)ncn1C)C(=O)O 426523245 UKSFGCOEOMQGFM-CBAPKCEASA-N 253.302 0.958 0 50 CCAA OCc1cnc(N2CCO[C@@H](C(F)(F)F)C2)cn1 698788989 VPWQKNWZRABANX-MRVPVSSYSA-N 263.219 0.736 0 50 CCAA CC(=O)N1CC(CNC(=O)c2n[nH]cc2-c2ccncc2)C1 2325798102 MVSPIQQFVGDZJB-UHFFFAOYSA-N 299.334 0.680 0 50 CCAA COc1ccccc1N(CC(=O)NC1CC1)S(C)(=O)=O 80409 BPNNFVBLPGSYFV-UHFFFAOYSA-N 298.364 0.740 0 50 CCAA COC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 821104 FAEDHPCNNHWZSX-UHFFFAOYSA-N 273.310 0.634 0 50 CCAA CCCCCOC(=O)Cn1cnc2c1c(=O)[nH]c(=O)n2C 2027183 PBYKDBFHHZBDPA-UHFFFAOYSA-N 294.311 0.157 0 50 CCAA O=C(c1n[nH]c(-n2cnnc2)n1)N1CC(c2ccccn2)C1 2356156276 ZSNLXNIZEFWQJZ-UHFFFAOYSA-N 296.294 0.020 0 50 CCAA CCc1[nH]nc(NC(=O)CCS(C)(=O)=O)c1CC 2356156827 SPFLDTMLTDFMEK-UHFFFAOYSA-N 273.358 0.908 0 50 CCAA C[C@H](NC(=O)CCSc1ncnc2[nH]cnc12)C(=O)O 6294984 TVAZLLARQHCKPM-LURJTMIESA-N 295.324 0.424 0 50 CCAA CCn1cc(C2=NO[C@@H](C(=O)N3CCOCC3)C2)c(C)n1 6804922 CDOHXIZADUGDSQ-CYBMUJFWSA-N 292.339 0.563 0 50 CCAA CC[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)C(=O)O 227864308 GTWPSYVZPABGOO-ZCFIWIBFSA-N 281.721 0.215 0 50 CCAA O=C1COCCN1/C=C/I 407986214 OHVQYVBODIWXQD-OWOJBTEDSA-N 253.039 0.751 0 50 CCAA CNC(=O)c1cccnc1NCCN1CCOCC1 301368382 RHDRACWEKOLDAH-UHFFFAOYSA-N 264.329 0.185 0 50 CCAA C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN2CCC[C@H]2C1 257365426 KHNVWIXDRZWXDQ-AAEUAGOBSA-N 287.429 0.742 0 50 CCAA CCn1c(C)ccc(C(=O)NC[C@](C)(O)CCCO)c1=O 214957885 SHIIJLAGHFACMK-OAHLLOKOSA-N 296.367 0.430 0 50 CCAA CCCc1cc(C(=O)N2CCOC[C@@H]2CO)no1 77453389 YVGRCZILRUFDHK-VIFPVBQESA-N 254.286 0.460 0 50 CCAA O=C(c1ccc(Cn2ccnc2)o1)N1CCOC[C@@H](O)C1 77427672 QQXNQHMLBBHTJN-NSHDSACASA-N 291.307 0.358 0 50 CCAA NCCn1cc(C(=O)NCCSc2ccccn2)nn1 77358547 CQTWZMMZHJZCNZ-UHFFFAOYSA-N 292.368 0.154 0 50 CCAA C[C@H](CC(=O)O)CC(=O)N1CCC[C@@H]1CS(C)(=O)=O 659192474 WFXJPUPYPJNYOA-VHSXEESVSA-N 291.369 0.523 0 50 CCAA C[C@H]1CC[C@@H](C)N1CCN1CCN(CC(=O)O)CC1 237606450 CRDTYBUUJJNFPV-BETUJISGSA-N 269.389 0.561 0 50 CCAA O=C(CCn1cccn1)N1CCN[C@@H](c2ccncc2)C1 368526521 IIOCDGQIWUBDHM-CQSZACIVSA-N 285.351 0.841 0 50 CCAA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccnn1C 369491791 SIURKZOAKGARGU-GFCCVEGCSA-N 292.383 0.745 0 50 CCAA Cc1noc(C)c1C(=O)N[C@@H](C(=O)O)[C@@H]1CCCOC1 262060406 JBJLJZIQLBFVSW-MWLCHTKSSA-N 282.296 0.901 0 50 CCAA CC1(C)CN(C(=O)[C@H](N)C2CCOCC2)CCCO1 374602642 PACGKLXYOBVBBI-GFCCVEGCSA-N 270.373 0.768 0 50 CCAA CCN(C[C@@H](O)CS(=O)(=O)O)c1cccc(OC)c1 35024666 ZLQNJZKBJSMXCJ-LLVKDONJSA-N 289.353 0.770 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)c1cnc(C2CC2)[nH]c1=O 223860095 YRDHROIFQKZHDE-GHMZBOCLSA-N 293.323 0.181 0 50 CCAA CCO[C@H]1COCC[C@H]1NC(=O)c1nc[nH]c2nccc1-2 613497050 BHXXQZYKQWZMDE-MNOVXSKESA-N 290.323 0.833 0 50 CCAA C[C@H]1CCCC[C@H]1N1CN=C(NS(C)(=O)=O)NC1 40387214 WADAEYJORKFURI-VHSXEESVSA-N 274.390 0.291 0 50 CCAA CCc1nnc(CNC(=O)[C@@H]2CCC(=O)N(CC)C2)s1 91656400 DMTKGOZLLWOPBQ-SECBINFHSA-N 296.396 0.975 0 50 CCAA Cc1cc(C)n([C@H]2CCN(C(=O)CN3CCNC3=O)C2)n1 95500001 GWBFBQIOUYOQJL-LBPRGKRZSA-N 291.355 0.299 0 50 CCAA COc1cccc(OC2CN(C(=O)C3(C(N)=O)CC3)C2)c1 95378119 QVENTANESGJBKL-UHFFFAOYSA-N 290.319 0.550 0 50 CCAA CN(C)C[C@@H]1CN(Cc2ccc(N(C)C)nc2)C[C@@H]1CO 91893621 PULHXDFQIBKYLP-HUUCEWRRSA-N 292.427 0.750 0 50 CCAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1 244646887 GQVUMQMLBKOJQA-DCAQKATOSA-N 294.355 0.332 0 50 CCAA CO[C@H]1C[C@@H](N(C)c2cc(NC[C@H](C)O)ncn2)C1 298863430 JRVIHVFCWOWVJT-GARJFASQSA-N 266.345 0.883 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H](N)c2ccccc2)CC1=O 299741963 AMRICLINZFDWLY-IKVITTDRSA-N 287.363 0.812 0 50 CCAA Cc1ccc2c(c1)c(CNC(=O)CS(C)(=O)=O)nn2C 534646707 DQKNDFFWYJUWDS-UHFFFAOYSA-N 295.364 0.543 0 50 CCAA O=C1CC[C@@H](NCCn2ccnn2)CCN1CC1CC1 534651701 UGARUCSEVYBWLE-CYBMUJFWSA-N 277.372 0.659 0 50 CCAA CN(C)Cc1ccc(C(=O)NCc2nnc(N)s2)o1 534663986 QNMNJXYIKKFIAF-UHFFFAOYSA-N 281.341 0.705 0 50 CCAA Cc1nn(CCCNC(=O)[C@@H]2CNCCO2)c(C)c1C 299797979 PCOZAOYQRLHBEL-ZDUSSCGKSA-N 280.372 0.303 0 50 CCAA COC(=O)c1c(OC(C)C)cc(=O)n2c1CCNCC2 299758178 OQXMDJVXHFOEJG-UHFFFAOYSA-N 280.324 0.568 0 50 CCAA C[C@H](CS(C)(=O)=O)NCC1(CN2CCOCC2)CC1 821381914 GQPSACXENOXNMQ-GFCCVEGCSA-N 290.429 0.122 0 50 CCAA CCc1ncc(S(=O)(=O)N[C@@H](C)c2nncn2CC)[nH]1 823592268 DQYAKGTXVHXNCM-QMMMGPOBSA-N 298.372 0.623 0 50 CCAA Cn1cncc1C(=O)NCCCc1csc(N)n1 827597723 HOSWFWPQJYFGEQ-UHFFFAOYSA-N 265.342 0.821 0 50 CCAA CN(Cc1cccc(O)c1)C(=O)CCCn1cnnn1 584904177 RISHLVQBQYYWRJ-UHFFFAOYSA-N 275.312 0.818 0 50 CCAA CCCS(=O)(=O)NCc1nc(-c2ccncc2)n[nH]1 670437775 IPQRKDFQOJKYAS-UHFFFAOYSA-N 281.341 0.696 0 50 CCAA CN(CCC(C)(C)O)CC(=O)Nc1cnccn1 670447982 LCTCDTRLIHNMBR-UHFFFAOYSA-N 252.318 0.508 0 50 CCAA CO[C@H](CNC(=O)/C=C/CN(C)C)[C@H]1CCOC1 1875377258 WOIZEOXVGFBSDS-RUULKOMLSA-N 256.346 0.272 0 50 CCAA O=C(Cn1cc2ccccc2n1)N1C[C@@H](O)[C@H](F)C1 952967037 GOLHHDSNANLKCQ-ZYHUDNBSSA-N 263.272 0.578 0 50 CCAA COc1cccc([C@@H]2CCN2C(=O)Cn2[nH]nnc2=N)c1 952962405 CZRSHISQZOCUEO-NSHDSACASA-N 288.311 0.068 0 50 CCAA O=C(NC[C@@H]1CCOC1)N1CCC[C@@H]2COC[C@@H]21 1339962686 XKENWJNZTIXYBI-TUAOUCFPSA-N 254.330 0.843 0 50 CCAA c1cc(N2CCC(Nc3ccc4nnnn4n3)CC2)ccn1 1516490785 FYFRFDCLAUHVGY-UHFFFAOYSA-N 296.338 0.995 0 50 CCAA COC[C@@H]1CCC[C@@H]1NC(=O)Cn1c(C)cc(C)nc1=O 1565511243 FUONZRAXLYOKHE-STQMWFEESA-N 293.367 0.791 0 50 CCAA CC(C)(C)OC(=O)CN1CC2(CCNCC2)OC1=O 167419042 MTKXHXTZEMLLNU-UHFFFAOYSA-N 270.329 0.903 0 50 CCAA COC(=O)N1CC(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 170591966 SEEVVJKLNZWFEL-AXFHLTTASA-N 254.330 0.840 0 50 CCAA C[C@@H]1NCC[C@@H]1C(=O)NC[C@@H](n1cncn1)C(F)(F)F 638887734 WCBAYTQCQPTJHB-XHNCKOQMSA-N 291.277 0.496 0 50 CCAA CCNS(=O)(=O)[C@H]1CCN(Cc2ccnc(N)c2)C1 193466988 WNILWFJTQVUFFL-NSHDSACASA-N 284.385 0.177 0 50 CCAA CN(Cc1nc(O)n[nH]1)C[C@@H]1CCc2nccn2C1 681927633 JXNGBCLDEOYLMP-VIFPVBQESA-N 262.317 0.401 0 50 CCAA CCc1noc(NC(=O)CN2CCOC2=O)c1C 1506396087 GEBNVLDXUCAMEL-UHFFFAOYSA-N 253.258 0.936 0 50 CCAA CCNc1nccnc1N1CCO[C@H](COC)C1 408518762 YIBFZIRWRLRJMR-JTQLQIEISA-N 252.318 0.760 0 50 CCAA N[C@@H]1CC12CC(NS(=O)(=O)c1cnn(C3CCC3)c1)C2 1615058932 SSBKJEDDEHSUTK-BKDHPRRPSA-N 296.396 0.766 0 50 CCAA C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@H]1C[C@@H]1C(=O)O 262371746 GKSGQIFIHYKPJK-IMSYWVGJSA-N 257.286 0.017 0 50 CCAA COc1ccc(OC[C@@H](O)CN2CCOCC2)cc1 19760405 OWXARFYNABKCRR-LBPRGKRZSA-N 267.325 0.767 0 50 CCAA O=C(CCc1cnccn1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857672614 IDFIOEXFXAVKHO-KWCYVHTRSA-N 291.351 0.408 0 50 CCAA NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCc1ccc(F)cc1 529777406 CMFWJMURDGHVBW-NEPJUHHUSA-N 280.299 0.205 0 50 CCAA C[C@@H]1CCN(C(=O)Cn2c(O)nc(=O)c3ccccc32)C1 263648132 CXWVKRCSGIWNRA-SNVBAGLBSA-N 287.319 0.971 0 50 CCAA Cc1ccc(S(=O)(=O)NC[C@]23CNC[C@H]2C3)cc1 1875273923 IGOCRUWIFISUFQ-YPMHNXCESA-N 266.366 0.883 0 50 CCAA CCOc1cccc(C(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)c1 1704299855 LNFTZRWDMUIGMG-QWHCGFSZSA-N 293.319 0.993 0 50 CCAA CCn1nc(C)c(C(=O)NC[C@@H](CO)c2cccnc2)n1 816685362 MZWWYVZLRNNEHN-LBPRGKRZSA-N 289.339 0.507 0 50 CCAA CCN(CC)S(=O)(=O)c1cccc(C(N)=O)c1 33359653 ROSBLIWOLKLSRV-UHFFFAOYSA-N 256.327 0.816 0 50 CCAA COc1ccccc1CC(=O)N1C[C@H](OC)C[C@H]1CO 284722201 CMCGOSBOQHGHBY-QWHCGFSZSA-N 279.336 0.846 0 50 CCAA CC(C)(CCCO)CNS(=O)(=O)c1ncc[nH]1 310113389 BJLAAESOEAMCQT-UHFFFAOYSA-N 261.347 0.487 0 50 CCAA CN1CCC(C)(C(=O)NCCc2cnn[nH]2)CC1 426739103 TZDXDNCRTXFNNY-UHFFFAOYSA-N 251.334 0.195 0 50 CCAA CCOC(=O)N1CCC(NC(=O)[C@H]2C=CCN2)CC1 534638460 WIIWPZRJQOPGDG-LLVKDONJSA-N 267.329 0.252 0 50 CCAA CN(C)[C@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@@H]1O 577624413 KKFCJMUUPLCXRP-QWRGUYRKSA-N 269.732 0.482 0 50 CCAA CN(C(=O)[C@@H]1CCCNC1)C1CCS(=O)(=O)CC1 584899742 DZJHBTPVBJOVNL-SNVBAGLBSA-N 274.386 0.022 0 50 CCAA CSC(C)(C)[C@H](N)C(=O)NCc1nnc2n1CCC2 2100482319 QJWQUMWWVXGMOA-SNVBAGLBSA-N 283.401 0.309 0 50 CCAA O=C(N[C@@H]1CCC[C@H]1O)[C@H]1CCCN1C1CCOCC1 248911843 JDQIOTPXDDRGOL-MGPQQGTHSA-N 282.384 0.659 0 50 CCAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O 82338 XACYTACCRYOQML-NSHDSACASA-N 278.308 0.470 0 50 CCAA CCC(=O)Nc1nnc(S(=O)(=O)N2CCCC2)s1 6817895 NTWZUZAPBLHRMN-UHFFFAOYSA-N 290.370 0.671 0 50 CCAA Cc1ccc(CN2CC[C@@H](NC(=O)CN)C2)c(C)c1 36463097 PJUQIBBTNWHSNF-CQSZACIVSA-N 261.369 0.953 0 50 CCAA CC[C@H](O)CN(C)CC1CCN(CC(=O)NC)CC1 253433306 VKIJDDATXOZTMF-ZDUSSCGKSA-N 271.405 0.147 0 50 CCAA CN(CC(=O)O)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 153182985 ZHSBAFHKWIMPBH-ZDUSSCGKSA-N 292.335 0.430 0 50 CCAA Cc1nc(N)ncc1C(=O)N1CCN2CCC[C@@H]2C1 216964987 HLONSLMCICIGSW-SNVBAGLBSA-N 261.329 0.287 0 50 CCAA CCc1nc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)n[nH]1 328998892 WZTSDOIOYJBXGE-QJPTWQEYSA-N 280.372 0.729 0 50 CCAA CCOC(=O)c1[nH]cnc1C(=O)NC1(C(N)=O)CCCC1 215473308 JHXPPRYNRJMXBY-UHFFFAOYSA-N 294.311 0.114 0 50 CCAA C[C@H](C(=O)NCc1cnn2ccccc12)N1CCCC1=O 72149292 UDETTZBFRMQNEG-LLVKDONJSA-N 286.335 0.961 0 50 CCAA Cc1cc(C(=O)N2CCO[C@H]3CNC[C@H]32)nn1C(C)(C)C 374617410 GYFVOFRNGLRACY-OLZOCXBDSA-N 292.383 0.759 0 50 CCAA Cc1nc(O)ccc1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 284754168 ODQVKPFSQJHTIQ-STQMWFEESA-N 291.351 0.641 0 50 CCAA CC[C@H]1COCCN1C(=O)c1n[nH]c(N)c1Cl 223544303 HXNLVYOBDRIKFJ-LURJTMIESA-N 258.709 0.896 0 50 CCAA CC1(C)COC[C@H]1NC(=O)c1cnn2cccnc12 456509664 DLYXLPBLPSWNEA-SNVBAGLBSA-N 260.297 0.884 0 50 CCAA CCn1cnnc1[C@H](C)NC(=O)CCN1CCCC1 220148616 BDJCSRYMGVYUEE-NSHDSACASA-N 265.361 0.961 0 50 CCAA CCCn1cnnc1CNC(=O)Cn1nc(C)cc1N 221247861 AWJVVRSZCNDKIW-UHFFFAOYSA-N 277.332 0.092 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCCC[C@H]2CO)cn1C 426723884 OCGNEMFQQICOAN-NSHDSACASA-N 264.325 0.681 0 50 CCAA CCCn1cnnc1[C@@H](C)NC(=O)c1cnc(O)cn1 222493149 CMMRSJFFKKPXDJ-MRVPVSSYSA-N 276.300 0.675 0 50 CCAA C[C@H](C(=O)NCCn1ccnn1)N1CCCCC1 426399371 IFHAXNOUXGFCGB-LLVKDONJSA-N 251.334 0.269 0 50 CCAA CCn1c(CN(C)CCCO)nnc1[C@H]1C[C@@H](N)C1 244816939 SRKXDLJACBQQNF-PHIMTYICSA-N 267.377 0.317 0 50 CCAA Cc1nonc1CNC(=O)COC[C@@H]1CCCCO1 244773889 PIHXVULGTVRGMK-JTQLQIEISA-N 269.301 0.580 0 50 CCAA O=C(c1cccc2nn[nH]c12)N1CCn2nccc2C1 1148238142 HUHDKNDDNIPSDM-UHFFFAOYSA-N 268.280 0.810 0 50 CCAA O=C(NC1CC1)[C@@H](O)C1CCN(Cc2ccon2)CC1 299749522 KPANZMQYMOIQGH-ZDUSSCGKSA-N 279.340 0.526 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)C1(CO)CC1 534661863 JZUDRRDNUIAZMN-SECBINFHSA-N 252.318 0.638 0 50 CCAA Cc1ncsc1CCN(C)C(=O)[C@H]1C=CCN1 534590641 HFTSSNIFXJLWQC-SNVBAGLBSA-N 251.355 0.980 0 50 CCAA CCn1nccc1S(=O)(=O)NCc1ccc(CN)cc1 534666988 ZIOFMBZSPYSEIB-UHFFFAOYSA-N 294.380 0.840 0 50 CCAA CNc1ccnc(NCC2(CN3CCN(C)CC3)CC2)n1 534664658 COGIGEZEMHBSQP-UHFFFAOYSA-N 290.415 0.958 0 50 CCAA CCOc1cc(C(=O)N2CCC3(CC2)COC(=O)N3)on1 857484799 LCQPMPFQBBJSIC-UHFFFAOYSA-N 295.295 0.788 0 50 CCAA CN1CC(=O)N(CC(=O)NCCSC(F)(F)F)C1=O 298617180 SXQIIPGSXCBGHS-UHFFFAOYSA-N 299.274 0.250 0 50 CCAA Cc1nonc1CN1CC[C@H]2[C@H](C1)OCc1cnnn12 299782452 YIUYIMASPCSCMG-RYUDHWBXSA-N 276.300 0.315 0 50 CCAA CCC[C@@H](NC(=O)c1cc2n(n1)CCO2)C(=O)O 585135016 ULXSFDZRLYBOMR-SSDOTTSWSA-N 253.258 0.259 0 50 CCAA CN(C)[C@H]1CCN(C(=O)CN2CCCCCCC2)C[C@@H]1O 584897875 CFOVKPNRIJZYBV-GJZGRUSLSA-N 297.443 0.776 0 50 CCAA CCc1nc(CN(C)CC[C@@H]2CCS(=O)(=O)C2)no1 670436352 UBCPTQPPQJLOCP-SNVBAGLBSA-N 287.385 0.889 0 50 CCAA C[C@@H](C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1)N1CCCCC1=O 685939519 FBBBGIYBYRZBNK-AGIUHOORSA-N 281.400 0.796 0 50 CCAA CCNCc1noc(-c2cncc(C(=O)N(C)C)c2)n1 1875290968 KDVDCROAWDFHPM-UHFFFAOYSA-N 275.312 0.943 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cn(C2CCOCC2)nn1 1875333217 JETSVZRXMHFOGK-NSCUHMNNSA-N 294.311 0.089 0 50 CCAA COCC1(O)CN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C1 1875395084 KEXMGFJOGPUSBH-DTWKUNHWSA-N 295.339 0.265 0 50 CCAA O=C(/C=C/CN1CCCC1)N[C@H]1CCCCNC1=O 1875338066 MYNNTKBVCIFMHO-PZBABLGHSA-N 265.357 0.423 0 50 CCAA Cc1nc2cc(Cl)cc(C(=O)N3C[C@@H](O)[C@H](O)C3)c2[nH]1 1875324860 DRANEDWPEGYBCH-GHMZBOCLSA-N 295.726 0.702 0 50 CCAA CC(=O)N1CCC2(CC1)C[C@H]2CN1CCN(C)CC1 1875321762 URWUXWIEWHQAJL-AWEZNQCLSA-N 265.401 0.882 0 50 CCAA COCC1(NC(=O)[C@@H](C)Cn2cncn2)CCCC1 952967511 LTSZFSDYUITGPV-NSHDSACASA-N 266.345 0.990 0 50 CCAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1C[C@H](CO)C1 886895236 ZRSHPBBARXHPAL-WHOFXGATSA-N 288.347 0.851 0 50 CCAA CSC[C@@H](C)C(=O)N1CC(N2CC[C@H](O)C2)C1 888094410 XUKVRKZLLMIVER-KOLCDFICSA-N 258.387 0.263 0 50 CCAA C[C@@H](C(=O)NCc1nc(-c2nn[nH]n2)cs1)C1CC1 1775987535 QRTZURBLOBGJLT-ZCFIWIBFSA-N 278.341 0.986 0 50 CCAA C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccnn2C)CCN1C 274135894 ITLRRKMYWKPVGC-GHMZBOCLSA-N 286.401 0.523 0 50 CCAA C[C@@H]1[C@@H](N(C)C)CCN1C(=O)[C@H]1CCCCC(=O)N1 408522835 MJYGNNWAHJWHTM-UTUOFQBUSA-N 267.373 0.596 0 50 CCAA Cc1cc(N2C[C@H](C)N(CCO)[C@H](C)C2)n2ncnc2n1 649461697 FEWSQXAVFWYHIU-TXEJJXNPSA-N 290.371 0.324 0 50 CCAA CC(C)S(=O)(=O)CCCN1CCOC[C@@]12CCOC2 193731547 UHIQVBPYHYZRBX-ZDUSSCGKSA-N 291.413 0.691 0 50 CCAA O=C(O)c1ccc(NCCN2CCC[C@@H](CO)C2)nn1 1506399668 CDAJXFSQTAKDFS-SNVBAGLBSA-N 280.328 0.291 0 50 CCAA CS(=O)(=O)N1CC(CNCc2cccn2C(F)F)C1 1364965185 QMFINUGOCGLCFI-UHFFFAOYSA-N 293.339 0.864 0 50 CCAA O=C(NC[C@H]1CC[C@@H]2CCC[C@@H]21)C1(CO)CNC1 1857680072 AKZPDMQNMGFDBH-TUAOUCFPSA-N 252.358 0.511 0 50 CCAA Cc1nonc1C(=O)N1C[C@H]2CC[C@@H](C1)N(C)C2 1857693454 XLYUGQFTWSSAES-UWVGGRQHSA-N 250.302 0.544 0 50 CCAA Cc1n[nH]c(C)c1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704351762 KBBGMWPOARJPSL-IUODEOHRSA-N 287.367 0.852 0 50 CCAA Cc1cc(C[C@@H]2CN(c3ncc(F)cn3)C[C@H]2O)n[nH]1 1704299846 LEVPVQBRBMULCQ-BXKDBHETSA-N 277.303 0.687 0 50 CCAA CNC1CC(C(=O)NC[C@@]23CNC[C@@]2(C(F)(F)F)C3)C1 1615555299 QCSBKRMFGAYTFK-FZOPHOIVSA-N 291.317 0.643 0 50 CCAA Cc1nn(CC(=O)N2C[C@@H]3CC[C@]3(N)C2)c2ncccc12 1615547277 SQCGWWNHUWATQI-NHYWBVRUSA-N 285.351 0.689 0 50 CCAA O=C1CCCCCN1CCC(=O)N1C[C@H](O)[C@@H](F)C1 1616098288 DFDZAEUAYPHGOX-QWRGUYRKSA-N 272.320 0.320 0 50 CCAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)[C@@H](C)N)C[C@@H](C)O1 261751734 HGMSEJWIYYSGPV-FDYHWXHSSA-N 269.389 0.434 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccn2nccc2c1 1857716838 GUWKAOUPZPTHEX-STQMWFEESA-N 275.308 0.868 0 50 CCAA Cc1cnc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)cn1 1875250227 HIVDYXCHKSTZHJ-NEPJUHHUSA-N 276.340 0.188 0 50 CCAA c1nc(NC2CC2)cc(N2CCN([C@@H]3CCNC3)CC2)n1 333518560 KDCDQANREIZUGY-CYBMUJFWSA-N 288.399 0.535 0 50 CCAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(N)ccn1)C2 248010452 DRBKQKLAURAWRD-KOLCDFICSA-N 274.324 0.357 0 50 CCAA CCN1CN(C[C@@H](O)COc2ccccc2C)CC1=O 252504525 VJTWJNIHAZOTSM-CYBMUJFWSA-N 278.352 0.856 0 50 CCAA CCCC1(O)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 585085591 ACBXVIJRCSOKRR-VIFPVBQESA-N 256.302 0.248 0 50 CCAA C[C@@H]1OC(=O)N[C@@H]1C(=O)N=c1[nH][nH]c2cc(F)ccc12 496766866 NQOWPSSSBDWLBB-CDUCUWFYSA-N 278.243 0.559 0 50 CCAA CNC(=O)[C@H]1CCCCN1S(=O)(=O)Cc1ccon1 266187708 HJZZTWXTIJISGG-SNVBAGLBSA-N 287.341 0.105 0 50 CCAA O=C(O)[C@H]1CCN(S(=O)(=O)c2cccs2)C[C@H]1O 1704325871 VNXLTFSNYLPQNY-JGVFFNPUSA-N 291.350 0.204 0 50 CCAA CCOC(CN1C[C@@H]2OCCN(C)[C@@H]2C1)OCC 221862484 ASAGKKBKOXBURC-NEPJUHHUSA-N 258.362 0.400 0 50 CCAA CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C)CC1 32497065 VEWZOOGAUHRTHQ-UHFFFAOYSA-N 296.392 0.868 0 50 CCAA O=C(O)CCCNC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 263501340 VOOMSVIANRTZJE-NXEZZACHSA-N 283.328 0.304 0 50 CCAA CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CO)C1 143409013 XNHSBQOBPOGGFW-QMMMGPOBSA-N 265.331 0.013 0 50 CCAA O=C(c1cnncc1O)N1CCN[C@H](c2ccncc2)C1 2325766426 OEMWFNMYEVQSBR-LBPRGKRZSA-N 285.307 0.364 0 50 CCAA COc1cc(C)nc(Oc2ccc(OCC(N)=O)nn2)n1 302551 UBKIBJFGOFATEY-UHFFFAOYSA-N 291.267 0.240 0 50 CCAA CC(C)OCCCNC(=S)N1CCC(C(N)=O)CC1 2431555 UUPJMCSMURKNPD-UHFFFAOYSA-N 287.429 0.873 0 50 CCAA NC(=O)NCC(=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356143630 QFUDDGRHSUWKCK-NWDGAFQWSA-N 277.324 0.032 0 50 CCAA COc1nc(C(=O)N=c2cc(C(C)(C)C)o[nH]2)nn1C 2356153574 MKGNZXAPFRPVIV-UHFFFAOYSA-N 279.300 0.783 0 50 CCAA COc1cccc([C@@H]2C[C@@H](O)CN2S(C)(=O)=O)c1 225714515 BAZBZYQUHCUAEY-PWSUYJOCSA-N 271.338 0.763 0 50 CCAA CC1(C)Cc2cccc(OCC(=O)NS(C)(=O)=O)c2O1 248332442 ITQAPPWSQZFYQF-UHFFFAOYSA-N 299.348 0.855 0 50 CCAA CCCN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)CC)CC1 229561197 QAOYQWUJZCHAJB-GJZGRUSLSA-N 297.443 0.776 0 50 CCAA COC1(CC(=O)NCC2CCN(CCO)CC2)CCC1 252481998 CWOQFLUTCYRBDO-UHFFFAOYSA-N 284.400 0.766 0 50 CCAA CN1C[C@@H](NCc2ccc3c(c2)oc(=O)n3C)CCC1=O 328591557 IWWPWUVDUQNCNR-NSHDSACASA-N 289.335 0.842 0 50 CCAA CC(C)(C)n1nnnc1CN1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 333031060 BVDWCFWXCIEWTK-WRWGMCAJSA-N 275.356 0.813 0 50 CCAA COc1cc2c(cc1OC)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2 38875503 ZTKCZTXMIMIVKO-XCBNKYQSSA-N 292.291 0.231 0 50 CCAA N=C(O)N[C@@H](CO)C(=O)N1CCC(CC(F)(F)F)CC1 330621169 BCKNDHATNGKRAU-QMMMGPOBSA-N 297.277 0.621 0 50 CCAA OC[C@@H]1C[C@H](F)CN1Cc1nnnn1CC1CCOCC1 331430354 MACYJMXLQSAYBQ-RYUDHWBXSA-N 299.350 0.004 0 50 CCAA CCc1nnsc1C(=O)N1CCOC[C@@H]1CC(=O)O 128286121 UIKMDZYCIXXUTF-ZETCQYMHSA-N 285.325 0.416 0 50 CCAA O=C(COC/C=C/c1ccccc1)Nc1nnn[nH]1 155345061 DBVYXMCGHRXLOC-QPJJXVBHSA-N 259.269 0.868 0 50 CCAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@H]1COCCO1 262939683 HMLCOYKIDNWHQZ-GFCCVEGCSA-N 295.291 0.812 0 50 CCAA O=C([C@H]1CCCO1)N1CCNC[C@H]1c1cccnc1 261968680 NASZLWHOQPLMEV-QWHCGFSZSA-N 261.325 0.734 0 50 CCAA COCc1ccc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)cc1 284603996 NJYYSCXWTJCSPY-STQMWFEESA-N 292.335 0.548 0 50 CCAA CCCc1cc(N2CCN(C)[C@@H](C(=O)O)C2)nc(C)n1 216483760 XIXMWRJCTMOMHG-GFCCVEGCSA-N 278.356 0.943 0 50 CCAA CCN(C(=O)c1ccc2oc(=O)[nH]c2c1)[C@H]1CCNC1=O 288222856 RBBHKTBUCRUTSA-JTQLQIEISA-N 289.291 0.472 0 50 CCAA Cc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1C(=O)O 263564589 FBMWRHQNYDGPTL-LBPRGKRZSA-N 290.319 0.800 0 50 CCAA CC(C)(C)C(=O)NC[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O 527560507 KLYRAJZBUOEFFI-UTLUCORTSA-N 266.345 0.822 0 50 CCAA Cn1cnc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1 178201498 WFOYMJOVJCSCEV-OLZOCXBDSA-N 257.293 0.808 0 50 CCAA O=C(c1cccc(-n2cnnc2)c1)N1CC=C[C@H]1CO 91452724 DTGKQEKFQJFVCG-ZDUSSCGKSA-N 270.292 0.640 0 50 CCAA CC[C@@H](OC)c1nc(CCOC)nn1CC(=O)O 97213013 YUMCKVOEQRIEMR-MRVPVSSYSA-N 257.290 0.649 0 50 CCAA COCCN(Cc1cnn(C)c1)C(=O)Nc1cnn(C)c1 96131140 IOWYFHUUMGEJHY-UHFFFAOYSA-N 292.343 0.834 0 50 CCAA O[C@]1(Cn2ccnn2)CCCN(CCN2CCCCC2)C1 331705433 ZJRCPAOEQKDMEC-OAHLLOKOSA-N 293.415 0.591 0 50 CCAA CC(C)c1ccc(C(=O)NC[C@H]2CNCCO2)c(=O)n1C 97729698 VVWMCGUBKDSACE-LLVKDONJSA-N 293.367 0.227 0 50 CCAA O=C(Cn1ccnc1)N[C@@H]1CCCN(c2ncccn2)C1 243902028 BFFNOPRCTXIGFZ-GFCCVEGCSA-N 286.339 0.458 0 50 CCAA N[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2CN2CCOCC2)C1 299753233 XKEYODNAERMRHV-ZNMIVQPWSA-N 295.427 0.827 0 50 CCAA CC(C)CCO[C@@H](C)C(=O)N1CCOC[C@H]1C(=O)O 299747352 CTEWCUCKKIVHKZ-QWRGUYRKSA-N 273.329 0.750 0 50 CCAA Cn1nccc1[C@@H]1OCC[C@H]1CNCCn1cccn1 299740737 BMKYFBUTBOPTGV-GXTWGEPZSA-N 275.356 0.984 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N(C[C@H]1CCOC1)C1CC1 251289751 NOLCIKYRMMOTAE-FBIMIBRVSA-N 253.298 0.735 0 50 CCAA CCCn1ncnc1[C@@H](C)NS(=O)(=O)N1CCCC1 534661206 GXUQLPKDUQDUSX-SNVBAGLBSA-N 287.389 0.679 0 50 CCAA COc1coc(CN2C[C@@H]3CC[C@H](C2)[C@H]3N)cc1=O 534578289 BRVNKHWWKPSHEC-WDAIWFPHSA-N 264.325 0.818 0 50 CCAA CCCn1cnnc1[C@@H](C)NC(=O)Cn1ccccc1=O 584895506 MROSCLSJNSHCNT-LLVKDONJSA-N 289.339 0.727 0 50 CCAA CO[C@@H]1CCN(Cc2cc(O)n3nc(C)nc3n2)C1 824300241 APLFIFRLCGNOMT-SNVBAGLBSA-N 263.301 0.359 0 50 CCAA CCCc1nc(N2CC[C@H](CC(=O)NC)C2)no1 670452520 ZUBRUVNYSUMSAF-SECBINFHSA-N 252.318 0.985 0 50 CCAA CCn1nnc(C)c1CN1C[C@@H](OC)C[C@H]1CN(C)C 1875265549 GTKFSZCERBYGMU-STQMWFEESA-N 281.404 0.757 0 50 CCAA CCN1CC[C@@H]1C(=O)N(C)[C@@H]1CCCN(C(C)=O)C1 1875341106 GNHJRSWYDZIZIG-CHWSQXEVSA-N 267.373 0.550 0 50 CCAA CN(C(=O)c1c[nH]c(C(N)=O)c1)c1ccc(CN)cc1 1875358862 LVYFLFOWJGNZFR-UHFFFAOYSA-N 272.308 0.849 0 50 CCAA C=CC(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 1875365972 CMICWPXHZKSVJX-UHFFFAOYSA-N 280.349 0.930 0 50 CCAA CC[C@H]1C(=O)NCCCN1C(=O)c1cncc(COC)c1 886527720 WVZAVHFFUDLFJO-ZDUSSCGKSA-N 291.351 0.969 0 50 CCAA C=CC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1336680962 HPXVTLKIYYVTBU-LBPRGKRZSA-N 274.320 0.969 0 50 CCAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1nccnc1N 248087540 BPDZCVYHKYEVAC-GHMZBOCLSA-N 275.356 0.758 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N1CCC(Cn2ccnn2)CC1 170070679 PJFLUUMXXDXNRO-AAEUAGOBSA-N 279.388 0.890 0 50 CCAA O=C1NC(=O)[C@]2(CCCN(c3ncnc4[nH]ccc34)C2)N1 279036519 IYXJGTQTFGCLMU-CYBMUJFWSA-N 286.295 0.136 0 50 CCAA C[C@]1(CO)CCCN1C(=O)CCn1cnccc1=O 551866313 TVENORQSXZCUBF-CYBMUJFWSA-N 265.313 0.007 0 50 CCAA CO[C@H](C)[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 188790685 CABJVCRFGZAAJS-KXUCPTDWSA-N 278.374 0.238 0 50 CCAA C[C@@H]1NCC[C@H]1C(=O)NC[C@H](n1cncn1)C(F)(F)F 638887735 WCBAYTQCQPTJHB-YIZRAAEISA-N 291.277 0.496 0 50 CCAA COc1cc(C(=O)N2CC[C@](C)(C(=O)O)C2)nn1C 302302011 MKQUBIPKKJPKIR-LBPRGKRZSA-N 267.285 0.366 0 50 CCAA O=C1C[C@@H](NC(=O)C2CCN(CC(F)(F)F)CC2)CN1 408152004 ZGJAWBSFVAPJRT-SECBINFHSA-N 293.289 0.265 0 50 CCAA CC1(C)CC(CC(=O)NC[C@]2(O)CCNC2)CC(C)(C)N1 1506403862 ZRKIBTZJFNDYGD-INIZCTEOSA-N 297.443 0.774 0 50 CCAA CCCc1nc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)co1 1455133830 RKKPULUUJQSDKE-MRVPVSSYSA-N 276.300 0.770 0 50 CCAA CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCS(=O)CC1 408069113 CMAUUPAQKMTGNP-ONGXEEELSA-N 274.386 0.128 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)Cc2ccc(O)cc2)C[C@H]1O 1704335613 CBXAWDIDIRGUIK-NWDGAFQWSA-N 279.292 0.229 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3(O)CC3)n[nH]c21 1857528563 BUSNPZNERJNWMV-SFYZADRCSA-N 265.313 0.687 0 50 CCAA COc1ccncc1NC(=O)[C@H]1CCS(=O)(=O)C1 131428528 CIBKPOHEKRPPEP-QMMMGPOBSA-N 270.310 0.463 0 50 CCAA CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 13791362 YSGRCJZNLXCJGC-SNVBAGLBSA-N 260.359 0.280 0 50 CCAA O=C(NCc1cc2n(n1)CCCO2)[C@H]1CCOC1 560605573 DTRIPZHJUFAUGA-VIFPVBQESA-N 251.286 0.318 0 50 CCAA COC(=O)[C@H]1CNCC[C@@H]1NC(=O)OC(C)(C)C 16697329 JZMRLHYTQICGLN-IUCAKERBSA-N 258.318 0.662 0 50 CCAA in-vitro CC(=O)N[C@@H](C(=O)NCc1[nH]nc2ncccc12)C(C)C 1772805565 OQZRVKLYUUKNLN-GFCCVEGCSA-N 289.339 0.735 0 50 CCAA Cc1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc1F 1875251391 FHFLNSFQQSZAQI-FDYHWXHSSA-N 281.283 0.391 0 50 CCAA Cc1csc([C@@H](C)CNC(=O)c2cn(CCN)nn2)n1 659325795 XYFPUSOBEHGVOS-QMMMGPOBSA-N 294.384 0.535 0 50 CCAA Cc1ccc(CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1O 330638596 BDAMTNRSAOJDDZ-NSHDSACASA-N 283.349 0.546 0 50 CCAA COc1cccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1OC 562418620 VESDRGPSLRFWTK-ZYHUDNBSSA-N 295.335 0.519 0 50 CCAA O=C(NCCc1cnccn1)N[C@H]1c2ccccc2C[C@H]1O 366694612 KLIOZZHVDHRHDG-CABCVRRESA-N 298.346 0.977 0 50 CCAA CC[C@@H]1OCC[C@H]1NC(=O)c1c[nH]c(C)cc1=O 905937602 ICWHKRDPKWWBBM-PWSUYJOCSA-N 250.298 0.981 0 50 CCAA CON1CC[C@H](N2C[C@@H]3CCC[C@]3(CO)C2)C1=O 931260997 JVFVISQMDUQIBP-GMXVVIOVSA-N 254.330 0.243 0 50 CCAA COc1ccsc1S(=O)(=O)NCCCN 195544491 HEZXEDQCOFLHBR-UHFFFAOYSA-N 250.345 0.384 0 50 CCAA CNS(=O)(=O)CCNc1nccnc1C(F)F 310354632 QKNDVEYWGIKMGE-UHFFFAOYSA-N 266.273 0.375 0 50 CCAA COc1ccc(CNC(CN)CN)c(Cl)c1OC 888095716 XDXFNQPLDIKCJM-UHFFFAOYSA-N 273.764 0.733 0 50 CCAA C[C@H]1C2C(N(C)C(=O)N1C)N(C)C(=O)N(C)[C@H]2C 289183 IPCWYXAIQSTRTG-DKEVHCRPSA-N 254.334 0.700 0 50 CCAA biogenic O=C(NC[C@H](O)C(F)(F)F)c1cc(=O)cc[nH]1 928996614 YSXYEJRJSZFTID-ZETCQYMHSA-N 250.176 0.028 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@]2(CC(=O)NCCN2)C1 2325712087 HTAAKOIJEXEHOS-AWEZNQCLSA-N 283.372 0.866 0 50 CCAA COC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 7881352 BFMOENNKJQPZLX-VIFPVBQESA-N 263.249 0.911 0 50 CCAA C[C@H]1OCCN(Cc2nc3ccccc3n2C)[C@@H]1C(N)=O 344852277 IMBVFJJTVBYQLM-YGRLFVJLSA-N 288.351 0.648 0 50 CCAA CN1CCN(C(=O)c2cnn3c2CCCC3)C[C@H]1C(=O)O 67868319 WJEWCVFOHNHNOA-LBPRGKRZSA-N 292.339 0.060 0 50 CCAA CNC(=O)C[C@H](C)N(C)C(=O)c1ccc(O)c(OC)c1 67726183 AVXFQJKHGGDGCA-VIFPVBQESA-N 280.324 0.997 0 50 CCAA Cc1ccnc(SCc2cc(=O)n3ncnc3[nH]2)n1 100128256 HHVNTHNSEDQWQY-UHFFFAOYSA-N 274.309 0.808 0 50 CCAA CCS(=O)(=O)N1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 229428863 XGYVSDWUQDRXSZ-GUBZILKMSA-N 260.359 0.455 0 50 CCAA CN(CCC(=O)N[C@H]1CC[C@@H]2CCC[C@@H]21)S(C)(=O)=O 77298653 AOFXZTDFUQPUFM-SRVKXCTJSA-N 288.413 0.963 0 50 CCAA CC[C@H]1COCCN1S(=O)(=O)Cc1cc(C)no1 330147768 UILBGJCHQNJUIO-JTQLQIEISA-N 274.342 0.924 0 50 CCAA CC[C@H](C)OCC(=O)N1CCC[C@H](S(N)(=O)=O)C1 330399782 IUJZLTUCMAUNTE-UWVGGRQHSA-N 278.374 0.081 0 50 CCAA CCn1ncnc1CN1CCC2(CC1)COC(=O)O2 215450541 CBSJALFUQSLEDA-UHFFFAOYSA-N 266.301 0.799 0 50 CCAA COC[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H]2CCO[C@@H]21 219850302 QDUHQPIZDBZTFX-LFSVMHDDSA-N 265.313 0.118 0 50 CCAA COc1cc(N[C@@H]2CC(=O)N(C(C)C)C2)ncn1 32508976 CAFQPXZRBHVXAI-SECBINFHSA-N 250.302 0.906 0 50 CCAA NC(=O)[C@H]1c2ccccc2CCN1CCn1ccnc1 372318023 CEGAPFCFOCYTDD-CQSZACIVSA-N 270.336 0.968 0 50 CCAA CC(C)C[C@H](C(N)=O)n1cnc2ncccc2c1=O 32540578 JFVGGMNTZAFBIS-SNVBAGLBSA-N 260.297 0.864 0 50 CCAA COc1c(F)cccc1CN1C[C@H](O)[C@@H](N(C)C)C1 215091213 KYCKQMOHPVBPBF-STQMWFEESA-N 268.332 0.941 0 50 CCAA O=C(CCc1cc2n(n1)CCCNC2)NC1CCOCC1 72462645 NJCMLLVXBGEGCU-UHFFFAOYSA-N 292.383 0.604 0 50 CCAA Cc1cc(CC(=O)N2Cc3nc(C)n(C)c(=O)c3C2)on1 221278680 SDSWFIXNZBUXPB-UHFFFAOYSA-N 288.307 0.470 0 50 CCAA Cc1nonc1CC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 223545575 LQXBKDIFLMOMPV-OLZOCXBDSA-N 295.339 0.621 0 50 CCAA CSc1ncccc1C(=O)N[C@@H]1CCCNC1=O 49498913 ADRNBCNPBVLHOK-SECBINFHSA-N 265.338 0.812 0 50 CCAA Cc1n[nH]c(C)c1CNC(=O)c1cn(C)c(C)cc1=O 426693759 NXZTWBCHRUBKMA-UHFFFAOYSA-N 274.324 0.964 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N1C[C@H](C2CC2)[C@@H](N)C1 91914879 ATSQICGOJGBWFS-OLZOCXBDSA-N 289.383 0.660 0 50 CCAA CNC(=O)[C@@H]1CN(CCc2ccc(F)c(F)c2)CCO1 180245076 LUUJMJDEIABMCK-ZDUSSCGKSA-N 284.306 0.954 0 50 CCAA COc1ccccc1-n1ncnc1Cn1ncnn1 96153188 WSHOXMKQUQISDV-UHFFFAOYSA-N 257.257 0.311 0 50 CCAA CC1(C)CN(C(=O)CCS(C)(=O)=O)C[C@]1(C)O 91616803 UJGLDSWUTKTLIG-NSHDSACASA-N 263.359 0.041 0 50 CCAA O=C(O)Cn1nc(C2CC2)nc1CCCN1CCCC1=O 97468423 BNPWCEZUVNQWTF-UHFFFAOYSA-N 292.339 0.795 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCC1(O)CCCCC1 91625589 VOFUZRILGVPKII-GFCCVEGCSA-N 280.372 0.838 0 50 CCAA COCCN1CC[C@@H](C(=O)NCc2nc(C)c(C)n2C)C1 244899919 ZSVBGKWOZWWGOB-CYBMUJFWSA-N 294.399 0.621 0 50 CCAA C[C@@H](Cc1cnccn1)NC(=O)CCCN1CCCC1=O 244690927 IZLOFEXLNPQDRQ-LBPRGKRZSA-N 290.367 0.926 0 50 CCAA C[C@@H](CNC(=O)NC(C)(CO)CO)Cc1cccs1 253424703 JVAIQJNVLQBWBV-SNVBAGLBSA-N 286.397 0.969 0 50 CCAA CC(C)C[C@@H](NC(=O)N1CCOCC1)c1ncnn1C 534637752 ACZQKIZSWNBSSN-LLVKDONJSA-N 281.360 0.944 0 50 CCAA COCC1CCN(S(=O)(=O)c2cn(C)cn2)CC1 264842492 IXOIAGCJUKIBED-UHFFFAOYSA-N 273.358 0.467 0 50 CCAA CC(C)c1cc(CNC(=O)[C@@H]2CCC(=O)NC(=O)N2)no1 534633470 AACZUKRZDDCCOZ-VIFPVBQESA-N 294.311 0.402 0 50 CCAA Cc1ccc(N2CCC(N[C@H](CO)C(=O)O)CC2)cc1 534643824 RMPBKGGUPVCUEP-CQSZACIVSA-N 278.352 0.999 0 50 CCAA CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@@H]1CNCCO1 534636929 YJPGMFBMYXTCND-ZDUSSCGKSA-N 278.356 0.235 0 50 CCAA COCCc1noc(CNC(=O)Cc2c(C)noc2C)n1 534591452 LZAFIQARSWRRPY-UHFFFAOYSA-N 294.311 0.722 0 50 CCAA Cc1ccc(F)cc1C(=O)N[C@H]1CO[C@@H]2[C@@H](O)CO[C@H]12 1940194978 GLALJZDLIBSZNV-WUHRBBMRSA-N 281.283 0.391 0 50 CCAA Cc1nc(S(=O)(=O)NCc2noc(C(C)C)n2)cn1C 822285207 STWOOMJUTRIQPE-UHFFFAOYSA-N 299.356 0.713 0 50 CCAA CN1CCCN(CC(=O)N2CCC3(CCO3)CC2)CC1 584884760 JOICCNRLNWAXQC-UHFFFAOYSA-N 281.400 0.405 0 50 CCAA CN(C)C1=NC2(CCN([C@H]3CCSC3)CC2)C(=O)N1 584886896 HMIIUJBRGNCHHH-JTQLQIEISA-N 282.413 0.374 0 50 CCAA O=C(CCN1CCCC1=O)N[C@@H]1CCc2c[nH]nc2C1 670449849 IBWQCSCXMJOUGE-LLVKDONJSA-N 276.340 0.396 0 50 CCAA Cc1noc(=O)n1Cc1nc(O)c2ccccc2n1 1875391584 FBWKXFUIXZSXHT-UHFFFAOYSA-N 258.237 0.842 0 50 CCAA CC(C)COCC(=O)N1CCC[C@H](C)S1(=O)=O 1875319432 CBTPWLIQPWKDLC-JTQLQIEISA-N 263.359 1.000 0 50 CCAA CN(C)c1cccc(C(=O)NC[C@@]2(O)CCSC2)n1 1875293609 WNYJGTVWLGUYEW-ZDUSSCGKSA-N 281.381 0.745 0 50 CCAA Cn1ccnc1CNCCN1CCC[C@@H](CO)C1 952968946 GKXGGMWWTHQOTL-GFCCVEGCSA-N 252.362 0.214 0 50 CCAA CCN1CCOC[C@@H]1CC(=O)N(C)C[C@H](O)C1CC1 1775998087 RMVVNPLLSLYQRQ-STQMWFEESA-N 270.373 0.327 0 50 CCAA COc1cccc(OCC(=O)N2CC[C@H](O)[C@H](CO)C2)c1 1434096545 FPYCRYJMTOWPKX-FZMZJTMJSA-N 295.335 0.276 0 50 CCAA CCc1nccn1CCNS(=O)(=O)N(CC)CC 1365461313 XOZPYXSVDLULNZ-UHFFFAOYSA-N 274.390 0.622 0 50 CCAA O=C1CN(C(=O)c2c[nH]nc2-c2ccccc2F)CCN1 86991249 DXDYAJKUVPMLLT-UHFFFAOYSA-N 288.282 0.788 0 50 CCAA C[C@H]1CC[C@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)O1 407990282 MZSHKNMKFRLGDH-YFKTTZPYSA-N 279.340 0.934 0 50 CCAA CO[C@@H](C)C(=O)OCCn1nc2ccccn2c1=O 170652946 AHQWOENMESYJTK-VIFPVBQESA-N 265.269 0.074 0 50 CCAA O=C1C[C@@H](C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CN1 110360709 ZUQMCGPGSLXNGS-KOLCDFICSA-N 278.312 0.137 0 50 CCAA O=C(c1ccon1)N1CC[C@H](N=c2ccc3nccn3[nH]2)C1 572744824 RMBZEOXOQIIZPX-JTQLQIEISA-N 298.306 0.466 0 50 CCAA CN(Cc1ccc(OCC(=O)O)cc1)Cc1ncnn1C 574525777 NSAWSHNLVBZCQF-UHFFFAOYSA-N 290.323 0.911 0 50 CCAA Cc1nnnn1CCC(=O)Nc1c2c(nn1C)CSC2 1506429077 UQEHGNIWTDQLRT-UHFFFAOYSA-N 293.356 0.491 0 50 CCAA Cc1c(C(=O)N2CCCN(CCC(=O)O)CC2)cnn1C 1704349658 TXYJKVQJVOFKNW-UHFFFAOYSA-N 294.355 0.351 0 50 CCAA CCOC(=O)[C@](C)(O)CN1CCCc2c(cnn2C)C1 411859721 VEEZNOMRKIWSNP-CQSZACIVSA-N 281.356 0.482 0 50 CCAA CCc1ccnc(C(=O)NC[C@H](O)[C@H]2COC(C)(C)O2)c1 1615606427 XTQNFVAKURXWLJ-QWHCGFSZSA-N 294.351 0.886 0 50 CCAA NC(=O)c1nnn(C[C@@H]2CCCC23CCOCC3)n1 1652120200 DSAQCRFKPPYQQG-VIFPVBQESA-N 265.317 0.369 0 50 CCAA OCCN1CCN(Cc2ccc3nsnc3c2)CC1 19850943 MKZDAOJIGCCQBX-UHFFFAOYSA-N 278.381 0.801 0 50 CCAA COCCCNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 169768611 YTFPYQWVEYBZTO-UHFFFAOYSA-N 264.285 0.097 0 50 CCAA CN1CCCN(CC(=O)N2CC(c3ccncc3)C2)CC1 1857694565 RUTZCALMDWLFJD-UHFFFAOYSA-N 288.395 0.645 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)o1 1857723930 CSBAPHIAWWZVTA-KGYLQXTDSA-N 293.319 0.560 0 50 CCAA O=C(Nc1cc(Cl)cc2c1OCC2)c1nc(=O)[nH][nH]1 119058414 KXNXVRBJAUJZIT-UHFFFAOYSA-N 280.671 0.939 0 50 CCAA Cn1nc(C(=O)N[C@]2(CC(=O)O)CCOC2)cc1C1CC1 630204112 NYOXMGTYYGHTSJ-AWEZNQCLSA-N 293.323 0.661 0 50 CCAA C[C@@H]1OCC[C@@H]1C(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 328628655 HKVNTEBWTNICNU-QEJZJMRPSA-N 296.411 0.981 0 50 CCAA COc1ccnc(C(=O)N[C@@H](C)c2nnnn2C)c1 252479141 AZWUYAOSPJCWQV-ZETCQYMHSA-N 262.273 0.105 0 50 CCAA OC[C@@H](O)C1CCN(c2ncc(Cl)cn2)CC1 1772805416 NUGUKWXHNYORLR-SNVBAGLBSA-N 257.721 0.700 0 50 CCAA CC(C)N1CCCN(C[C@@H](O)C2(O)CCOCC2)CC1 929493454 SUSZQWXEMRDQGZ-CQSZACIVSA-N 286.416 0.305 0 50 CCAA COCCn1ccnc1CN1CCC[C@@H](C(=O)O)C1 218739418 SNPAQRKEIXSDAN-LLVKDONJSA-N 267.329 0.826 0 50 CCAA CS(=O)(=O)N1CCCN(CCc2ccccn2)CC1 194110061 BVBXLXZYOKWNNE-UHFFFAOYSA-N 283.397 0.591 0 50 CCAA CN(C)C[C@@H](O)CNC1CSCCSC1 534592217 RNWHFUANTBYPJV-JTQLQIEISA-N 250.433 0.347 0 50 CCAA NCCOc1cccc(C(=O)NCC(=O)NC2CC2)c1 426707280 VNSYRDOAHKZCLU-UHFFFAOYSA-N 277.324 0.033 0 50 CCAA COc1ccc(-n2nnnc2SCC(N)=O)cc1 421090 OWMNBAJRVHSHIY-UHFFFAOYSA-N 265.298 0.248 0 50 CCAA COC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1 1426108 VHJRACHSJZCPDB-UHFFFAOYSA-N 285.321 0.679 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C 2579388 RNMVWSAJMIKMDY-BDAKNGLRSA-N 259.302 0.920 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@H]1c1nc(C)no1 861693060 OOOVFGJDNYIERY-JTQLQIEISA-N 278.312 0.686 0 50 CCAA C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O 121636586 LISSNXJUUJKOKL-SSDOTTSWSA-N 262.265 0.774 0 50 CCAA COc1cccc(OC[C@@H](O)CNC2CCNCC2)c1 32577804 LTQQCDKFCGYUAD-ZDUSSCGKSA-N 280.368 0.777 0 50 CCAA Cn1ncnc1C(=O)N1CCC[C@@](O)(c2ccccc2)C1 863500619 VBSBMCDTRCSQNV-HNNXBMFYSA-N 286.335 0.939 0 50 CCAA COCCc1noc([C@H](C)NC(=O)c2cnc[nH]2)n1 219021439 IVJFTILDNVRWCZ-ZETCQYMHSA-N 265.273 0.473 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N(CC(=O)O)C1CC1 237717040 MSNAKTFTLOZJKG-UHFFFAOYSA-N 281.312 0.491 0 50 CCAA Cc1nc(C[C@H]2CCCN(C(=O)[C@@H]3CCNC3)C2)no1 237773950 CCZQRFZKDRSXOG-VXGBXAGGSA-N 278.356 0.769 0 50 CCAA O=C(c1n[nH]c2c1CCCC2)N1CCN2CCOC[C@H]2C1 374959537 DNZFTTIFONSGHA-LLVKDONJSA-N 290.367 0.445 0 50 CCAA C[C@@H]1CCCN(C(=O)c2nccnc2N)[C@H]1C(=O)O 263055808 LOSOHFXOADCMQD-VXNVDRBHSA-N 264.285 0.384 0 50 CCAA Cn1ncc(N2CC[C@@H](CNC(=O)C(C)(C)C)C2)cc1=O 77503265 XIIRNIQXGGIXRA-NSHDSACASA-N 292.383 0.769 0 50 CCAA O=C(CN1CCOC1=O)NCCCc1ccccn1 222690105 BYSBDBNEDDNOHI-UHFFFAOYSA-N 263.297 0.583 0 50 CCAA CC(C)n1cnnc1CCNC(=O)CCc1cnccn1 426689881 PGWPJMMBOXYAKE-UHFFFAOYSA-N 288.355 0.941 0 50 CCAA C[C@@H](NC(=O)N1CCOCC(F)(F)C1)c1ncnn1C 291711451 YZBRDLFBNWDMJV-MRVPVSSYSA-N 289.286 0.553 0 50 CCAA Cc1cc(NC(=O)c2ccc3nnnn3c2)ncn1 532090174 BLZOYZVLYSHQNE-UHFFFAOYSA-N 255.241 0.475 0 50 CCAA CCc1noc(CCNC(=O)[C@@H](C)n2ccnc2)n1 426489870 FQYAZRSULKGCQA-SECBINFHSA-N 263.301 0.748 0 50 CCAA O=C(CO)N1CCC2(CCN(CC3CC3)CC2)[C@@H](CO)C1 97553150 WFOYNKOQARKCCZ-CQSZACIVSA-N 296.411 0.312 0 50 CCAA Cc1ccc(-c2cc(C(=O)N3C[C@@H](O)CO3)[nH]n2)o1 91381604 GOROVPYJWYJSOR-MRVPVSSYSA-N 263.253 0.726 0 50 CCAA CN(C)C(=O)CCCNc1cc([C@H]2C[C@@H](N)C2)ncn1 244882767 XYQOFMIJUOAKAQ-PHIMTYICSA-N 277.372 0.962 0 50 CCAA COc1cncc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)n1 625422980 BICGMILOPYDFLE-GXTWGEPZSA-N 292.383 0.780 0 50 CCAA Cn1cnnc1C1CCN(c2ccncc2C(N)=O)CC1 542780336 NGMWGZICOZOEMA-UHFFFAOYSA-N 286.339 0.693 0 50 CCAA CC(C)[C@H](C(=O)N(C)CCC(=O)O)N1CCCC1=O 299752269 TVHDKCCMURWEJO-GFCCVEGCSA-N 270.329 0.567 0 50 CCAA O=C(Cn1nc2ccccc2n1)NCC[C@@H]1CCOC1 534632383 JMZGUFJRHCYPFE-LLVKDONJSA-N 274.324 0.974 0 50 CCAA CC(C)Cc1nc(CNC(=O)Cn2nccn2)no1 299797501 PCKYXKNQBZCDHK-UHFFFAOYSA-N 264.289 0.176 0 50 CCAA Cc1cc(C)n(CCCC(=O)NCCc2nc(N)n[nH]2)n1 828026295 FISUGUIRDWSIII-UHFFFAOYSA-N 291.359 0.339 0 50 CCAA Cc1ccc(NCCCNC(=O)[C@@H]2C=CCN2)nc1 827690921 MWLDCBYCSIXHIX-LBPRGKRZSA-N 260.341 0.836 0 50 CCAA CN1CCCC[C@@H]1CCNS(=O)(=O)N1CCCC1 823777631 MLPHXHCWGLFKPA-GFCCVEGCSA-N 275.418 0.791 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)NCC(C)(C)N1CCOCC1 827628035 LCZUKOJBOYHWGN-ZDUSSCGKSA-N 294.399 0.746 0 50 CCAA CCc1noc([C@H](C)NC(=O)c2[nH]nnc2C)n1 584891005 LLPBNKMHTGYLEW-LURJTMIESA-N 250.262 0.550 0 50 CCAA O=C(NCCCc1nn[nH]n1)c1cnc(C2CC2)nc1 584900239 GRHZZSFCMIACAT-UHFFFAOYSA-N 273.300 0.230 0 50 CCAA CCn1cnnc1CN(C)Cc1nc(COC)no1 670436797 BTMJREQSEPUNKY-UHFFFAOYSA-N 266.305 0.459 0 50 CCAA CCNC(=O)N1CCC(NC(=O)[C@H]2CCCCN2C)CC1 670472532 DVKUTLNAJLOSIT-CYBMUJFWSA-N 296.415 0.781 0 50 CCAA COC(=O)/C=C/CNC(=O)c1ccc(N(C)C)cn1 1875273420 WHIFRWJLDBCRDM-SNAWJCMRSA-N 263.297 0.607 0 50 CCAA CC(C)NC(=O)c1nnc(N2CC[C@]3(CCCO3)C2)n1C 1875272708 WTFXCKFHNZRKNQ-CQSZACIVSA-N 293.371 0.713 0 50 CCAA O=C(N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12)c1cc(O)cc(=O)o1 1875313697 XAZVTTPUOZQYND-LKEDHPFLSA-N 265.265 0.092 0 50 CCAA Cc1cc(C)c(C(=O)NOCCN2CCCC2=O)c(=O)o1 1875314284 PZPALVMAAIIPNQ-UHFFFAOYSA-N 294.307 0.540 0 50 CCAA CNC(=O)NC[C@@H]1CCCCN1Cc1ccon1 879333876 DKUQSENVARUVAM-NSHDSACASA-N 252.318 0.958 0 50 CCAA O=C(/C=C/c1ccc2c(c1)OCO2)N1CCNC[C@H]1CO 1341577247 DBMXKUJCBBBNLQ-KMOQFTEPSA-N 290.319 0.221 0 50 CCAA COC(=O)C[C@@H]1NC(=O)N(c2cccc(OC)c2)C1=O 170613756 OHHFBEBOKVGZIP-JTQLQIEISA-N 278.264 0.683 0 50 CCAA CC(C)[C@H](C)CC(=O)N1CCC(O)(C(N)=O)CC1 408069936 GIYHUSJRUJMQJR-SNVBAGLBSA-N 256.346 0.507 0 50 CCAA C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)S(=O)(=O)CCO)C1 225414265 GGYXUAJEDOSQCK-AXFHLTTASA-N 277.386 0.287 0 50 CCAA COCCN1C[C@H](CN=c2cc[nH]cc2F)CC1=O 1506399949 GEQUPOIGLYMWJM-JTQLQIEISA-N 267.304 0.549 0 50 CCAA CCS(=O)(=O)N1CCn2c(nnc2C2CC2)C1 600793425 RGYVXYJJFGXALX-UHFFFAOYSA-N 256.331 0.321 0 50 CCAA Cc1cnc(NCCCn2ccnn2)nc1N(C)C 1704337979 IYYOKPQOORCNQW-UHFFFAOYSA-N 261.333 0.945 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2Cc3nnc(C)n3C2)no1 1772707309 UZVNVSJJGKENOY-VIFPVBQESA-N 261.285 0.485 0 50 CCAA Cc1nnc2n1C[C@@H](CN=c1nn[nH]n1-c1ccccc1)C2 1772703635 PBMXNFZMOHEICU-LLVKDONJSA-N 296.338 0.269 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCc1[nH]nc2ncccc12 1772804819 FKPFIQMMXIIMPL-SSDOTTSWSA-N 277.284 0.319 0 50 CCAA O=C1NC(=O)[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]12 333631512 AIQLGVYNIPLIDA-OCAPTIKFSA-N 285.225 0.809 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1 88305 MHTISYOSPFULJR-UHFFFAOYSA-N 268.338 0.404 0 50 CCAA COc1cncc(CN2C[C@@H](N3CCOCC3)[C@H](C)C2)n1 625221400 OMCARSOFPUXOQI-TZMCWYRMSA-N 292.383 0.638 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)NC1CCNCC1 911630188 PVSIYNNMKHCATB-INIZCTEOSA-N 289.379 0.664 0 50 CCAA CN1C[C@H](O)C[C@H]1CNC(=O)C[C@H](O)c1cccc(F)c1 924989732 TYOMNPWEVPQUSR-MJBXVCDLSA-N 296.342 0.430 0 50 CCAA COC(=O)c1cnc(NC(=O)[C@H]2CCOC2)nc1 1851007210 LHBJGEQXDGRFHA-ZETCQYMHSA-N 251.242 0.238 0 50 CCAA COc1ccc2[nH]nc(CN3CC[C@@H](CO)[C@@H](O)C3)c2c1 1140063990 CODRLXHBDKWDSU-BONVTDFDSA-N 291.351 0.747 0 50 CCAA CC(C)[C@H](N)C(=O)N1CCC[C@H](CN2CCOCC2)C1 236723273 FUDLRCZMXQGOHT-KGLIPLIRSA-N 283.416 0.541 0 50 CCAA CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C(=O)O)nc2)C1 228324890 VJDPOZLOPSBIHO-SNVBAGLBSA-N 277.280 0.130 0 50 CCAA COCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 6267485 QFSQQVBPDSNEFX-UHFFFAOYSA-N 272.326 0.434 0 50 CCAA O=C(NCCc1cc[nH]n1)[C@H]1CC[C@@H](C(=O)O)C1 426734170 VBAIZOSUTXVCNR-DTWKUNHWSA-N 251.286 0.569 0 50 CCAA CC(C)C[C@H](C(=O)O)N1CCC[C@H](N2CCNC2=O)C1 629483706 KDEVIDAXYORIAX-NWDGAFQWSA-N 283.372 0.975 0 50 CCAA COC(=O)c1cnc(N2CC[C@@H](CCN)C2)nc1 900376613 XMMNQLQSWHAXIC-SECBINFHSA-N 250.302 0.438 0 50 CCAA COc1ccccc1OC[C@H](O)CNC[C@](C)(O)CCO 2325783275 KAEQSFSXBXBJNX-IUODEOHRSA-N 299.367 0.158 0 50 CCAA Fc1cnc(N2CCOCC2)nc1N1CCOCC1 40794 IHXWLXYUTBRCKB-UHFFFAOYSA-N 268.292 0.289 0 50 CCAA COC(=O)CN(c1ccccc1C)S(C)(=O)=O 379497 OBYNWLDOZDZPRL-UHFFFAOYSA-N 257.311 0.934 0 50 CCAA NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1Cl 458031 HQIYZAPWTFTKSM-UHFFFAOYSA-N 250.641 0.868 0 50 CCAA N=c1[nH]c(C(=O)NC[C@H](O)c2cccc(O)n2)cs1 2356144534 BYGBRYUTHNVFBN-QMMMGPOBSA-N 280.309 0.120 0 50 CCAA CCCN1Cc2nnc(-c3cn[nH]c3)n2[C@H](C)C1=O 2356153382 DODOHKUQCDPARV-MRVPVSSYSA-N 260.301 0.981 0 50 CCAA CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 4206858 BYYKHXCNLUDEOJ-JTQLQIEISA-N 257.359 0.579 0 50 CCAA O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1cnc[nH]1 344602646 IJTQQOVAFBAHBX-FRRDWIJNSA-N 251.330 0.772 0 50 CCAA NC(=O)[C@@]1(O)CCCN(CC[S@@](=O)c2ccccc2)C1 346593745 UCCWCCOYSZLAIJ-JLTOFOAXSA-N 296.392 0.106 0 50 CCAA O=C(O)c1cccc(-n2nc3c4nonc4ccc3[n+]2[O-])c1 22276160 NSCKMLOBRBPLOM-UHFFFAOYSA-N 297.230 0.893 0 50 CCAA CC(=O)N[C@@H](Cc1cn(-c2ncccc2C)cn1)C(=O)O 67490008 RJHYTPTZLVQHST-LBPRGKRZSA-N 288.307 0.708 0 50 CCAA CC(C)n1cnc(C(=O)NCCc2nc(=O)o[nH]2)c1 282401100 QHFPJRPBDJYDTB-UHFFFAOYSA-N 265.273 0.113 0 50 CCAA C[C@H](CN1CCCCCC1)NCCN(C)S(C)(=O)=O 67726636 WFLUZRRBNIDRBM-CYBMUJFWSA-N 291.461 0.732 0 50 CCAA C[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nc(=O)[nH][nH]1 216023447 HIDPHPIFPKCNEP-SSDOTTSWSA-N 290.279 0.247 0 50 CCAA C=CC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 521396831 ZIOWSMSIADCZMO-ZDUSSCGKSA-N 251.374 0.801 0 50 CCAA CN(C(=O)[C@@H]1CSCN1C(=O)[C@H]1CCC(O)=N1)C1CC1 329124755 SMWWEAXBXYZINB-ZJUUUORDSA-N 297.380 0.628 0 50 CCAA CSc1nn(C)c(NC(=O)C[C@H]2CCCO2)c1C(N)=O 330793130 CGERAMOWFNTMKD-SSDOTTSWSA-N 298.368 0.749 0 50 CCAA C[C@H]1CNCCN1C(=O)Cc1ccc2c(c1)OCCO2 125536985 ZJSUAQHNGPKEPX-NSHDSACASA-N 276.336 0.821 0 50 CCAA O=S(=O)(c1cnc[nH]1)N1CCC[C@H](OCC2CC2)C1 372289818 RVDUYGGKDWSMCN-NSHDSACASA-N 285.369 0.989 0 50 CCAA O[C@]1(c2c[nH]nn2)CCN(c2ncc(Cl)cn2)C1 284503197 KOWFOFTXJCCFHI-SNVBAGLBSA-N 266.692 0.346 0 50 CCAA C[C@@H]1CN(Cc2cc[nH]c2)C[C@H]1C(=O)N1CCOCC1 284811896 KVWRASDLMYTVKE-TZMCWYRMSA-N 277.368 0.941 0 50 CCAA CCCc1nc(=NC(=O)N2CC[C@H](O)C2)s[nH]1 340243156 DHDMGJSXVPRLBW-ZETCQYMHSA-N 256.331 0.511 0 50 CCAA CCn1ncnc1CN1CCN(Cc2noc(C)n2)CC1 215883540 OMRPTHSIFASKKO-UHFFFAOYSA-N 291.359 0.307 0 50 CCAA O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cnc[nH]1 222618650 XJTPQWVUIMOWJF-JTQLQIEISA-N 272.312 0.599 0 50 CCAA O=C(CCCn1cccn1)N1CCC[C@@](O)(CO)CC1 220230670 KJXVWHNPRJWYFF-AWEZNQCLSA-N 281.356 0.399 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@@H](C(=O)O)C2)n1 178266245 MPXPJRGHDFFVFM-WDEREUQCSA-N 265.313 0.994 0 50 CCAA Cc1ccn2c(C(=O)NCC3(C)COC3)nnc2n1 426548554 RIFPGFISNMXIAM-UHFFFAOYSA-N 261.285 0.199 0 50 CCAA Cc1nnc(CN(C)C(=O)CN2C[C@@H](C)CC2=O)o1 95521861 YSOUREKHQMARJA-QMMMGPOBSA-N 266.301 0.205 0 50 CCAA Cc1cc(C)n(Cc2nc([C@@H]3CCOC3)no2)c(=O)n1 96139165 YVWCZUPNDFNTHS-SNVBAGLBSA-N 276.296 0.795 0 50 CCAA O=C(CCn1cnnn1)N1CCc2ccccc2C1 524732808 PFBFDUBDDHNQHN-UHFFFAOYSA-N 257.297 0.648 0 50 CCAA Cn1cc([C@@H](CO)NC(=O)Cc2c[nH]c3ncccc23)cn1 537596049 LQRNTJXDXFMMLQ-CYBMUJFWSA-N 299.334 0.689 0 50 CCAA C[C@H]1CCCCN1S(=O)(=O)[C@H]1CCS(=O)(=O)C1 245228750 DZOCBKRQOKTLLY-UWVGGRQHSA-N 281.399 0.378 0 50 CCAA O=C(c1ccccc1Cn1ccnn1)N1CCO[C@H]2C[C@@H]21 622876930 VWSGVQIRQAIQHM-KBPBESRZSA-N 284.319 0.940 0 50 CCAA Cc1ccc(NC(=O)N[C@]2(CO)CCOC2)nc1 184266515 IIIAXCANTNIBST-LBPRGKRZSA-N 251.286 0.663 0 50 CCAA CC(C)C[C@@H](NC(=O)CN1CCCC1=O)c1ncnn1C 534574450 QDQVSYRZMJOUGW-LLVKDONJSA-N 293.371 0.641 0 50 CCAA Cc1nc(O)c(Cl)c(NC[C@H](O)CN(C)C)n1 534666099 AGEYALXANFSNAZ-ZETCQYMHSA-N 260.725 0.478 0 50 CCAA CN1CCC[C@H](C(=O)Nc2cnc3ccccn3c2=O)C1 1940195555 XDDROUINYKQQIK-NSHDSACASA-N 286.335 0.975 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cccnc1 823350077 MAYDKPXWPNQVCB-RYUDHWBXSA-N 285.369 0.079 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)CCn1cc(C)cn1 824506704 NZHTVBMJORFLCL-QWRGUYRKSA-N 253.302 0.112 0 50 CCAA CC(C)c1ncc(C(=O)N[C@@H](C)c2nc(N)n[nH]2)cn1 584884235 AKYUSUKSKGSSFG-ZETCQYMHSA-N 275.316 0.791 0 50 CCAA COCCCn1cnnc1CNC(=O)C1CC=CC1 824396570 SLDDIDVZYVAYJW-UHFFFAOYSA-N 264.329 0.897 0 50 CCAA COCc1noc(CNC(=O)c2n[nH]c3c2CCCC3)n1 584903454 CEKQJOWYZXFJAG-UHFFFAOYSA-N 291.311 0.748 0 50 CCAA COc1cc(C(=O)NC2CCS(=O)(=O)CC2)ccn1 670434602 CDHCVRVJLWVLJJ-UHFFFAOYSA-N 284.337 0.397 0 50 CCAA COC(=O)C1(CNC(=O)C2Cc3ccccc3C2)COC1 1875312260 JNMBVVMRPJUEBT-UHFFFAOYSA-N 289.331 0.707 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C(=O)OC)CC1 1875370493 QVHIALYYLFJIPP-PHIMTYICSA-N 282.340 0.479 0 50 CCAA O=C(c1cccc(O)c1)N1Cc2n[nH]cc2[C@@H]1CO 1875344164 GKMZXSUNPFRAPO-LBPRGKRZSA-N 259.265 0.805 0 50 CCAA Cn1cccc1C(=O)NC[C@@H]1CCO[C@@H]1c1nc[nH]n1 952888469 IRFDLXNIFGFYBJ-ONGXEEELSA-N 275.312 0.651 0 50 CCAA CCOC[C@H]1CCCN1C(=O)CN1CCN(CC)CC1 952969776 QGIKLEWRRWNBGI-CQSZACIVSA-N 283.416 0.651 0 50 CCAA CCOC(=O)c1cn(C)nc1NC(=O)[C@@H]1C[C@@H](C)CO1 889848781 WEARZHMYIZCFRF-SCZZXKLOSA-N 281.312 0.960 0 50 CCAA O=C(CC[C@@H]1CCO1)NCc1cccc(CO)n1 1775988104 JEEJENIRIZKJID-GFCCVEGCSA-N 250.298 0.759 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)CCN1CCCCO1 1565529519 VIYSYIUWWSTSEA-RYUDHWBXSA-N 272.345 0.324 0 50 CCAA O=C(O)c1cc2c(nc1N1CC[C@@H](CO)[C@@H](O)C1)CCC2 1565531138 DBLRBFNUANUBQO-GWCFXTLKSA-N 292.335 0.448 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 249653608 YXEOHPZNMAUYOL-PREPNJAASA-N 298.364 0.681 0 50 CCAA COc1ccc(N(C)C(=O)C2(NC(N)=O)CC2)cn1 271117348 REWFVCDGLBLDCV-UHFFFAOYSA-N 264.285 0.254 0 50 CCAA CC(C)OCCCNC(=O)c1ccn(C)c(=O)c1 97155644 YFGNTLUALKWKFE-UHFFFAOYSA-N 252.314 0.930 0 50 CCAA CCCCOCC(=O)N1CCS(=O)(=O)C[C@@H]1C 170635410 MIPXWSWBYZAKHA-JTQLQIEISA-N 263.359 0.449 0 50 CCAA CC(C)Oc1nccnc1N1C[C@H]2[C@@H](C1)OCCN2C 302171435 UKGNSMPCBJTFHN-NWDGAFQWSA-N 278.356 0.783 0 50 CCAA COC[C@H]1[C@H](NC(=O)c2cn[nH]c2)[C@H]2CCO[C@H]21 1074604418 JZZWMIGFMQVBKO-LMLFDSFASA-N 251.286 0.189 0 50 CCAA COC[C@H](NC(=O)c1ccccc1O)C(=O)OC 408513877 SLYFOPSKBJSYPV-VIFPVBQESA-N 253.254 0.310 0 50 CCAA CC(=O)NC1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 190532283 KILLUIOCCWAFKV-UHFFFAOYSA-N 296.348 0.051 0 50 CCAA CN(CCO)C(=O)[C@H]1CCCN1C(=O)c1ccccc1 192653676 PMUXQOZTZLZYPE-CYBMUJFWSA-N 276.336 0.742 0 50 CCAA Cn1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)nn1 653329002 PYCLFQROOZPOQO-MNOVXSKESA-N 286.291 0.858 0 50 CCAA CCN1CCO[C@@H](CN[C@H]2CCOC2)[C@@H]1c1cnn(C)c1 657622404 QUXDAWOADOSATE-KKUMJFAQSA-N 294.399 0.560 0 50 CCAA COC(=O)N[C@H](C(=O)N=c1cccn[nH]1)C(C)C 584906959 LHZWGNPMFBEWGM-VIFPVBQESA-N 252.274 0.218 0 50 CCAA CNC(=O)Cn1cc(NC(=O)CCCN2CCCC2)cn1 1529113520 FVOTUTSQCRLZGH-UHFFFAOYSA-N 293.371 0.444 0 50 CCAA CS(=O)(=O)C1(C(=O)NCc2ccc3cncn3c2)CC1 1615591055 TVJPMLUWCWYABS-UHFFFAOYSA-N 293.348 0.528 0 50 CCAA COc1ccc(C)nc1N1CCN2CCOC[C@@H]2C1 1857678655 JIDONQSNBIWHCA-LBPRGKRZSA-N 263.341 0.919 0 50 CCAA CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccnc1 13125286 KCARESMITSUMEV-NSHDSACASA-N 286.295 0.920 0 50 CCAA O=C(NCCO)c1cnc2sc3c(n2c1=O)CCCC3 16652344 CDAXUXNDOGWELX-UHFFFAOYSA-N 293.348 0.357 0 50 CCAA NC[C@H]1c2ccccc2CCN1C(=O)[C@H]1C[C@@H]1C(=O)O 1857529679 OBVJVEOOSHVDCG-AVGNSLFASA-N 274.320 0.792 0 50 CCAA CC(C)n1cnnc1CN1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669589 IAHBGSCVMGLHHX-SMDDNHRTSA-N 294.355 0.782 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2cc(O)no2)C[C@@H]1O 1875250197 FNWANTKXVMNQGK-GXFFZTMASA-N 284.312 0.366 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)CCCn1ccnc1 238065693 GHQPEHHKVSALTH-SNVBAGLBSA-N 251.286 0.739 0 50 CCAA c1cn(-c2nc(-n3ccnc3)nc(-n3ccnc3)n2)cn1 19334932 XCGAYRKEBXJPJG-UHFFFAOYSA-N 279.267 0.429 0 50 CCAA CC(=O)N1CCOC[C@@H]1C(=O)Nc1nc(C)ccc1O 368348394 ZDCVUHDUDJNGTP-SNVBAGLBSA-N 279.296 0.281 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N[C@H]1COc2ccccc2C1 261843303 AQEVZLSXHNZWNN-QKCSRTOESA-N 276.336 0.483 0 50 CCAA CC[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]1O 400291183 NYCUKXLXIGBACU-ZJUUUORDSA-N 256.346 0.378 0 50 CCAA COCCN(Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 330365303 KLBPVXGGSCWLDR-NSHDSACASA-N 288.369 0.619 0 50 CCAA CCCc1cc(CNC(=O)[C@@H](N)Cc2cnc[nH]2)on1 823009664 ZXHGNSFOBVSOKU-LBPRGKRZSA-N 277.328 0.536 0 50 CCAA COCC1=C(C(=O)OC)[C@@H](c2ccco2)n2ncnc2N1 18007884 JEYKYUASOQYJSV-LLVKDONJSA-N 290.279 0.960 0 50 CCAA O=C1NC(=O)c2c(NC(=O)[C@@H]3CCCO3)cccc21 614266 NFJLHTYTEFGBPV-VIFPVBQESA-N 260.249 0.688 0 50 CCAA Cc1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1C 970578 LDUDTPLDFANQSX-RYUDHWBXSA-N 255.339 0.873 0 50 CCAA CCc1c(C)nc(N)nc1N1N=C1SCC(=O)OC 1058688 YACOGJBBLFAGTK-UHFFFAOYSA-N 281.341 0.927 0 50 CCAA COC(=O)N1CCC[C@H](C(=O)N2CC(=O)N(C)[C@H](C)C2)C1 225742072 YJDGWNDFNUYZPK-MNOVXSKESA-N 297.355 0.154 0 50 CCAA C[C@@H]([C@@H](C)N(C)C(=O)c1ccn[nH]1)S(C)(=O)=O 113085337 CEOWZVISFPVZEX-SFYZADRCSA-N 259.331 0.303 0 50 CCAA Nc1ccc(S(=O)(=O)NC(=O)c2cc[n+]([O-])cc2)cc1 9445859 TXIAKQMJFXTREO-UHFFFAOYSA-N 293.304 0.021 0 50 CCAA CCC[C@H](NC(=O)[C@H](O)[C@H](N)Cc1ccccc1)C(=O)O 27644022 NNNBTEXVYNDCLO-FRRDWIJNSA-N 294.351 0.287 0 50 CCAA in-vitro CN(CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C1CC1 229928787 IQENUKRLBRDJRH-KGLIPLIRSA-N 280.416 0.959 0 50 CCAA CC(=O)N(C[C@@H]1CCCN1Cc1ncnn1C)C1CC1 328640805 QEYXFYBKQQGLRL-ZDUSSCGKSA-N 277.372 0.790 0 50 CCAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@H](N)CO 72448559 ZHJOJTOBSAHWNY-ZDUSSCGKSA-N 274.324 0.150 0 50 CCAA COC1(CC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CCC1 234619292 VHKYUXKDXRNEKH-CQSZACIVSA-N 295.339 0.146 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@H](C)Cn2cncn2)o1 330668802 ZGEUTCQUUPOPLQ-MRVPVSSYSA-N 270.314 0.547 0 50 CCAA Cc1sc(C(=O)NC2CCC2)cc1S(N)(=O)=O 156143277 DKGDCZABOKZRLE-UHFFFAOYSA-N 274.367 0.986 0 50 CCAA Cc1cc(NC[C@H](O)CN2CCCC2)n2nccc2n1 72436702 AVPFBHNSNJKJNJ-LBPRGKRZSA-N 275.356 0.906 0 50 CCAA Cc1nc2c(C(=O)N[C@@H]3CC(=O)N(C)C3)ccnc2[nH]1 333221926 DXRYDYXBMRSSDO-MRVPVSSYSA-N 273.296 0.227 0 50 CCAA CCCc1nnc(C(=O)N(C)Cc2noc(C)n2)o1 71747214 BAQHAKLNCVOUHS-UHFFFAOYSA-N 265.273 0.986 0 50 CCAA CC(C)c1nc(N[C@@H]2CCNC2=O)c2cnn(C)c2n1 72157121 FXZAPQJVZSHXEH-SECBINFHSA-N 274.328 0.787 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)c2ccccc2)CCC1=O 39223907 PZZCHYLJJBNOAB-LLVKDONJSA-N 261.277 0.891 0 50 CCAA CNC(=O)[C@@H]1CCCCN1Cc1nccn1CCOC 216333243 MEZLMPIKVTUUCU-LBPRGKRZSA-N 280.372 0.630 0 50 CCAA C[C@H](O)c1ccn(Cc2nsc(N(C)C)n2)n1 128880150 CKSCBYCNEFRBCH-ZETCQYMHSA-N 253.331 0.902 0 50 CCAA CC[C@](C)(O)c1cn(CCN2CCOCC2)nn1 310896190 LXULNALSIQXKEH-LBPRGKRZSA-N 254.334 0.228 0 50 CCAA CNCCN1C(=O)CC[C@H]2CN(C3CCOCC3)CC[C@H]21 72412500 BNQPKVLTDSOFHZ-DZGCQCFKSA-N 295.427 0.698 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccon2)N(C)C1 285342237 WIGNEFUKMBWKET-UWVGGRQHSA-N 253.302 0.466 0 50 CCAA Cc1cnn(CC(=O)N2CC[C@H](C(C)(C)O)C2)c1 220536313 KHYOUFINIGULPC-NSHDSACASA-N 251.330 0.811 0 50 CCAA C[C@]1(C(=O)NCc2nc(-c3cnccn3)n[nH]2)CCCO1 426563465 WEIGIGAWAQGMPH-CYBMUJFWSA-N 288.311 0.447 0 50 CCAA CN1CCC(CNC(=O)CN2CCCC2=O)CC1 194937164 BKNCMDRLVOQOLZ-UHFFFAOYSA-N 253.346 0.067 0 50 CCAA Cc1[nH]nc(CCC(=O)N2CC=C[C@@H]2C(=O)O)c1C 426477413 OISAZDNNBIYYGM-LLVKDONJSA-N 263.297 0.811 0 50 CCAA O=C([C@H]1CCCO1)N1CCCN(Cc2cnc[nH]2)CC1 97757931 QWRHVEVLRUDZAN-CYBMUJFWSA-N 278.356 0.623 0 50 CCAA COC[C@@H]1CCN(C(=O)N2CCN(C(=O)N(C)C)CC2)C1 335924588 VWOYHHBDCSZDCE-GFCCVEGCSA-N 298.387 0.374 0 50 CCAA CCNC(=O)CCN1CCC2(CCN(C)CC2)[C@H](CO)C1 97694738 DAHANNMYVARVQB-AWEZNQCLSA-N 297.443 0.539 0 50 CCAA CC(C)(C)N1C[C@@H](C(=O)NCCc2cnccn2)CC1=O 91707766 DVKLIIPXUNFPFN-NSHDSACASA-N 290.367 0.782 0 50 CCAA CSCC[C@H](NC(=O)c1c[nH]c(C)cc1=O)C(=O)O 235052920 MUTOMJWNKXMCRH-VIFPVBQESA-N 284.337 0.619 0 50 CCAA O=C(NC1CC1)[C@@H](O)C1CCN(Cc2nccs2)CC1 299739198 LSJRIWCSUZIIFW-ZDUSSCGKSA-N 295.408 0.995 0 50 CCAA CC[C@@H](C(=O)NCc1nc(C2CC2)no1)N1CCOCC1 534586777 FNSWHNZHINHHKB-NSHDSACASA-N 294.355 0.674 0 50 CCAA O=C(O)c1cnc2cc(Br)nn2c1O 263623006 CUNYZUCTPRNUPA-UHFFFAOYSA-N 258.031 0.896 0 50 CCAA CC(=O)N1CCC(C(=O)NCC[C@H]2CCOC2)CC1 534586354 YVZPIUGTONKQJU-LBPRGKRZSA-N 268.357 0.788 0 50 CCAA COc1ncc(CN2CCOC[C@@H](CN(C)C)C2)cn1 824852228 XJWWGPGLAUHAMS-ZDUSSCGKSA-N 280.372 0.495 0 50 CCAA CNC(=O)CCC(C)(C)NC(=O)c1[nH]nnc1C 584890664 DFQNKZWRLGGYEC-UHFFFAOYSA-N 253.306 0.148 0 50 CCAA CCCc1cc(CNC(=O)[C@@H]2NCCc3nc[nH]c32)on1 823009628 CRDQXNMYJKGZPY-CYBMUJFWSA-N 289.339 0.853 0 50 CCAA CCc1ncc(S(=O)(=O)N[C@H](C)c2nncn2CC)[nH]1 823592237 DQYAKGTXVHXNCM-MRVPVSSYSA-N 298.372 0.623 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CCn1cncn1 827992364 MGFVTYWQRQLTFJ-MRVPVSSYSA-N 262.317 0.886 0 50 CCAA O=C(NCCc1noc(CO)n1)c1cncc(Cl)c1 670441156 LXVMDCUFBHRSKE-UHFFFAOYSA-N 282.687 0.583 0 50 CCAA CNS(=O)(=O)N1CCN(C[C@H](C)C(C)(C)C)CC1 878617555 ROROLWBACAWFLX-NSHDSACASA-N 277.434 0.750 0 50 CCAA Cn1ncc2c(N)nc(N3CCc4ncncc4C3)nc21 883017814 BYUFGOMMQLHPDP-UHFFFAOYSA-N 282.311 0.298 0 50 CCAA NC(=O)CNC(=O)c1ncc(Br)s1 170090201 VSHXJDRZNVJBNU-UHFFFAOYSA-N 264.104 0.121 0 50 CCAA CCn1cc(S(=O)(=O)N(C)c2ncccn2)cn1 279690872 UKRCKYNENVRBKU-UHFFFAOYSA-N 267.314 0.518 0 50 CCAA NS(=O)(=O)c1ccc(CCN[C@@H]2CCOC2)cc1 109431347 HOPWCDBPVVUNDB-LLVKDONJSA-N 270.354 0.255 0 50 CCAA Cc1ccc(N(C)S(=O)(=O)c2c(C)nn(C)c2C)nn1 194976372 DRCOYOSHGMPBIA-UHFFFAOYSA-N 295.368 0.960 0 50 CCAA CC(C)(C)n1nnc(CNc2cnn(CCO)c2)n1 657344354 NAZBFPNFBIPFLP-UHFFFAOYSA-N 265.321 0.229 0 50 CCAA CC(C)c1cc(C(=O)N2CC[C@H](C(=O)O)C2)nc(N)n1 1506415566 PHDWNGZWHLQVAX-QMMMGPOBSA-N 278.312 0.729 0 50 CCAA O=C(CCn1cc(Cl)cn1)N1CC[C@@H](CO)[C@@H](O)C1 215479337 BLYIOCQUGASHTA-ONGXEEELSA-N 287.747 0.128 0 50 CCAA CCN1CCN(C(=O)c2cccn2C)C[C@]12CCOC2 1615588792 DQGDOSOKSSAKOC-HNNXBMFYSA-N 277.368 0.962 0 50 CCAA COc1ccc(CN2CCN(C)[C@H](C(=O)O)C2)cc1O 106700104 KJEFPVGHQGYTTM-NSHDSACASA-N 280.324 0.601 0 50 CCAA CSCC(=O)NCc1cccnc1N1CCOCC1 14977410 GLJHZZPDTDGDCM-UHFFFAOYSA-N 281.381 0.897 0 50 CCAA Cc1nc(-c2nccn2C[C@]2(O)CCNC2)n(C)c1C 1857732313 LMBUZUSYZNXGRV-AWEZNQCLSA-N 275.356 0.625 0 50 CCAA CCN(C(=O)c1cc2n(n1)CCCO2)[C@H]1CC(O)=NC1=O 330353836 OXCZENKLTTYJOP-VIFPVBQESA-N 292.295 0.383 0 50 CCAA COc1cc(OC)nc(C(=O)N(C)c2ncccn2)n1 904941320 QLHKBASFKCQVAX-UHFFFAOYSA-N 275.268 0.560 0 50 CCAA O=C(O)[C@@H]1c2ccoc2CCN1C(=O)c1cn[nH]c1 910201824 CWDHZEYWFFMDJM-JTQLQIEISA-N 261.237 0.827 0 50 CCAA CCn1cc(CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)nn1 931773609 QHFZCUXJTGTDNX-NSHDSACASA-N 288.355 0.970 0 50 CCAA C1CC2(CCN1)CCN(CC[C@@H]1COCCO1)C2 1775980024 SCWODILDEPZGLB-CYBMUJFWSA-N 254.374 0.867 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@H]2CCc3nn[nH]c3C2)[C@@H]1CO 408076382 IAUSLCKWQGBPOB-GBIKHYSHSA-N 278.356 0.529 0 50 CCAA CCC[C@@H](NC(=O)N1CCc2n[nH]cc2C1)C(=O)O 396824399 MAKOXESLBYDTHC-SNVBAGLBSA-N 266.301 0.731 0 50 CCAA Cc1ncnc(N2CC[C@@](O)(CN(C)C)C2)c1C 895010929 YKDQGCOYPLDXRU-CYBMUJFWSA-N 250.346 0.596 0 50 CCAA Cn1nccc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 864273665 LXBZSYKIAHTDAP-JTQLQIEISA-N 281.312 0.277 0 50 CCAA COc1cccc(CS(=O)(=O)N2CC=C[C@@H]2C(=O)O)c1 2325765479 PCTLLMFTEQZRBR-GFCCVEGCSA-N 297.332 0.850 0 50 CCAA CC(C)C[C@H](NC(=O)c1cncc(O)c1)c1nn[nH]n1 2325806499 CEEWATOPZSSTBR-JTQLQIEISA-N 276.300 0.818 0 50 CCAA CC1=C(C(N)=O)[C@H](c2ccc3c(c2)OCO3)N2NC=NC2=N1 71421 NOVZDLXDTXOCMH-LBPRGKRZSA-N 299.290 0.434 0 50 CCAA Cc1cc(Cl)ccc1N(CC(N)=O)S(C)(=O)=O 380036 MHDUFMOVOUYCLB-UHFFFAOYSA-N 276.745 0.900 0 50 CCAA Cc1cc([C@@](C)(N)C(=O)O)ccc1P(=O)(O)O 27869364 LLEOLNUKLKCAFG-SNVBAGLBSA-N 259.198 0.057 0 50 CCAA in-vitro COC(=O)[C@@H]1COCCN1C(=O)C1[C@H]2CCC[C@H]12 135783472 WCXDEWKHVOHSGD-GUBZILKMSA-N 253.298 0.433 0 50 CCAA Nc1nc(-c2ccccc2CN2CCOCC2)cc(=O)[nH]1 65493317 NHJINOONZKSIKX-UHFFFAOYSA-N 286.335 0.851 0 50 CCAA Cc1ccc(-c2cc(C(=O)N[C@@H]3CCN(C)C3=O)[nH]n2)o1 20149351 LBDXQSJZQYEJBP-SECBINFHSA-N 288.307 0.939 0 50 CCAA CC(C)Oc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)CN1 151036348 PPIRPWOCNGFVSA-OLZOCXBDSA-N 278.352 0.813 0 50 CCAA O=C(NC[C@H]1CCOCO1)c1cccnc1S 151584406 SHSRUAWBFVARBR-MRVPVSSYSA-N 254.311 0.863 0 50 CCAA CC(C)n1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)cn1 77538212 QJIKOHUQQSSTPY-QWRGUYRKSA-N 254.309 0.894 0 50 CCAA CN(CC(=N)O)C[C@H]1CN(Cc2cnn(C)c2)CCO1 330405967 NOLBSZSKEVZKFW-LBPRGKRZSA-N 281.360 0.088 0 50 CCAA NC(=O)CN1CCN(Cc2cccs2)[C@@H](CCO)C1 72433647 OTKBWHYVJIJABH-NSHDSACASA-N 283.397 0.102 0 50 CCAA COc1cccc(CCNC(=O)CC(=O)N(C)C)c1 173982111 LFCWMDPRNUGACC-UHFFFAOYSA-N 264.325 0.832 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO 364166017 DKPVHJBKJXPKRI-UWVGGRQHSA-N 291.348 0.130 0 50 CCAA Cn1ccnc1[C@@H]1CCN(c2cncc(OCCO)n2)C1 364651382 YIENOZVKRXMDQV-LLVKDONJSA-N 289.339 0.575 0 50 CCAA CC1(C)NCC[C@@H]1NC(=O)[C@H]1CC12CCNCC2 335347294 YEIQCQZGTWGOKD-MNOVXSKESA-N 251.374 0.633 0 50 CCAA Cc1ccnc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)n1 284817371 UOHPRCFFUJJJNY-QWHCGFSZSA-N 290.367 0.892 0 50 CCAA CCN(CC)C(=O)CN(C)c1cc(NC)ncn1 130586158 LMGQRPPMRWYRCF-UHFFFAOYSA-N 251.334 0.823 0 50 CCAA NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1 34874836 DEXXSYVEWAYIGZ-LBPRGKRZSA-N 291.307 0.334 0 50 CCAA in-vitro COCCC[C@@H]1CCCN(C(=O)CCc2n[nH]c(N)n2)C1 77553506 YVFYTTDJOJUKIH-NSHDSACASA-N 295.387 0.985 0 50 CCAA COc1ncnc(OC)c1C(=O)NC[C@H]1CCCNC1 178485256 DWOYHVMHUINMAJ-VIFPVBQESA-N 280.328 0.223 0 50 CCAA CSCc1noc(CNC(=O)c2ccc(O)cn2)n1 223759196 LKHBRMLHCPCYNT-UHFFFAOYSA-N 280.309 0.963 0 50 CCAA Cc1cnc(CNC(=O)[C@@H](C)N2CCN(C)CC2)cn1 426487982 KIZDIPDFMTZOGM-GFCCVEGCSA-N 277.372 0.037 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1nc[nH]c2nccc1-2 614456063 PRDICUSQHORSIL-CBAPKCEASA-N 273.296 0.306 0 50 CCAA Cc1nc2ccccc2n1CC(=O)N[C@H](C)C(=O)O 178238660 ORRHVVSIPMZTDJ-MRVPVSSYSA-N 261.281 0.934 0 50 CCAA CCN(C)C(=O)CSc1nnc([C@H]2CCCNC2)n1C 426632899 PYWKNZMBOCAHGY-JTQLQIEISA-N 297.428 0.853 0 50 CCAA C[C@@]1(C(=O)O)CCCN1C(=O)Cn1nc2ccccc2n1 426523756 YRCTUHNRCPNYIF-AWEZNQCLSA-N 288.307 0.897 0 50 CCAA CCCN(C(=O)c1c[nH]c(=O)cc1C)[C@H]1CCNC1 178929437 UIOWONHBHVRJHT-NSHDSACASA-N 263.341 0.897 0 50 CCAA O=C(N[C@H]1CCCCNC1=O)c1ccc2nccn2c1 91644440 LPSOYBOGYPFWGV-NSHDSACASA-N 272.308 0.733 0 50 CCAA O=C(Nc1cccc2cn[nH]c12)N1CCOC[C@H](O)C1 95530867 RCWBGHIUDBXZCB-SNVBAGLBSA-N 276.296 0.788 0 50 CCAA CCc1cc(C(=O)NC[C@@H]2CCCNC2)cc(=O)[nH]1 97696230 KMEXAUCXMHHHKR-SNVBAGLBSA-N 263.341 0.667 0 50 CCAA O=C(C[C@H]1CCc2ccccc21)N(CCO)CCO 97655322 KJDFXXYKWWRAMZ-CYBMUJFWSA-N 263.337 0.920 0 50 CCAA CCOC1CCN(C(=O)Cn2cccc(OC)c2=O)CC1 95505986 HNWXEORYVDZWNF-UHFFFAOYSA-N 294.351 0.884 0 50 CCAA C[C@@H]1NCCC[C@@H]1NC(=O)N1CC[C@@H]2NCC[C@H]2C1 333641196 IGXVKIQWGRMUAF-CYDGBPFRSA-N 266.389 0.520 0 50 CCAA COCCN(C)CC(=O)N1C[C@@H](C)[C@](O)(C2CC2)C1 91563538 RWQIDHWFJKZSLU-RISCZKNCSA-N 270.373 0.184 0 50 CCAA CSc1nn2c(=O)cc(CN3CCOCC3)nc2s1 244715788 LCGCUWMQLCYSOO-UHFFFAOYSA-N 298.393 0.705 0 50 CCAA Cc1n[nH]c(C)c1CCN(C)C[C@H]1COCCO1 244678603 IGPDJTLCZUKWMO-LBPRGKRZSA-N 253.346 0.916 0 50 CCAA Cc1nnnn1-c1ccccc1C(=O)N[C@@H](CO)C(C)C 252481976 CWEJDFDQQIVQAT-LBPRGKRZSA-N 289.339 0.717 0 50 CCAA Cc1nnnn1-c1ccccc1C(=O)N[C@H](CO)C(C)C 252481975 CWEJDFDQQIVQAT-GFCCVEGCSA-N 289.339 0.717 0 50 CCAA O=C(NCc1nc(C(F)(F)F)n[nH]1)C1CCNCC1 534645971 MQCXHKBUVXYLFZ-UHFFFAOYSA-N 277.250 0.439 0 50 CCAA COc1cc(CN2CC[C@H](N)C2=O)cc(OC)c1 725387032 LTKRYARUCLFYRA-LBPRGKRZSA-N 250.298 0.763 0 50 CCAA O=C(O)CC[C@H]1CCCN(CCn2cnnc2)C1 828509358 KFLSMQUXBVFTKM-LLVKDONJSA-N 252.318 0.855 0 50 CCAA CCC1(CC)CCN(C(=O)Cn2[nH]nnc2=N)C1 584896150 GIHQZSSOHOAHMJ-UHFFFAOYSA-N 252.322 0.124 0 50 CCAA CC[C@]1(O)CCCN(C(=O)CNC(=O)C(C)C)C1 584886657 YNCVFFYXVGOJOJ-ZDUSSCGKSA-N 256.346 0.522 0 50 CCAA CCCn1cnnc1[C@H](C)NC(=O)c1ccc(=O)n(C)c1 584900973 HEPYNVZNYOVUKT-JTQLQIEISA-N 289.339 0.878 0 50 CCAA O=C(NCCCCCN1CCOCC1)[C@@H]1C=CCN1 670453842 JRLKYHJNHAHSKW-ZDUSSCGKSA-N 267.373 0.133 0 50 CCAA CN1OC[C@H](NC(=O)C2SCCCS2)C1=O 1875325216 JPPAIYRIUOHTOU-LURJTMIESA-N 262.356 0.071 0 50 CCAA CN(CCc1nccc(O)n1)c1ncnc2c1ncn2C 1875287983 IQCOZGFUZXPKEV-UHFFFAOYSA-N 285.311 0.538 0 50 CCAA CO[C@H](CC(C)C)C(=O)NS(=O)(=O)CCOC(C)C 1875266182 RHAMEHRXCWWKJH-LLVKDONJSA-N 295.401 0.919 0 50 CCAA CN1CCn2nc(NC(=O)[C@H]3C[C@@H]4[C@H](N)C[C@H]4C3)cc2C1 1775961251 JSGNEGQEGGNPFQ-VCDKRKBESA-N 289.383 0.640 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC[C@H]1c1nncn1C 1319672038 WYLUKRANQCPDOE-JTQLQIEISA-N 277.328 0.171 0 50 CCAA CNC(=O)[C@@H]1CN(C[Si](C)(C)c2ccccc2)CCO1 170607519 MJJMJQASNJOIKY-AWEZNQCLSA-N 292.455 0.588 0 50 CCAA Cc1nc(CN2CC[C@H](C(N)=O)C2)c2ccccn12 585117681 RHXKXLPLZPSWJB-NSHDSACASA-N 258.325 0.950 0 50 CCAA CCc1nc2n(n1)C[C@@H](NCc1cncn1C)CC2 171627181 RRDPCRAPCCXMJH-JTQLQIEISA-N 260.345 0.679 0 50 CCAA NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCNC1 213381793 VJFIOEBIKCCRNI-DGCLKSJQSA-N 273.336 0.035 0 50 CCAA C[C@@H](c1nnnn1C)S(=O)(=O)c1ccc(O)cc1 188932474 NSXNWUYLONOQTK-ZETCQYMHSA-N 268.298 0.451 0 50 CCAA C[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@@H](C(N)=O)O1 639890019 MVTOICNRRVEYDE-ABAIWWIYSA-N 290.363 0.834 0 50 CCAA CC[C@@H](NCc1cccc(OC)n1)C(=O)N1CCOCC1 191299757 GQODJTYMPBVDOT-CYBMUJFWSA-N 293.367 0.817 0 50 CCAA N[C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)N2CCOCC2)C1 652383461 VJWUNPAJMHJHNF-MGPQQGTHSA-N 297.399 0.799 0 50 CCAA O=C1N[C@H]2C[C@@H]1N(C(=O)c1nc3c(s1)CCCC3)C2 1857675948 MEPHVIWHMUHMKS-CBAPKCEASA-N 277.349 0.735 0 50 CCAA CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2N)C1 128937365 GCOWAFNERXAKQY-IJLUTSLNSA-N 253.346 0.241 0 50 CCAA CC(C)[C@@H](C(=O)N(C)CC(=O)O)N1CCCC1=O 153110696 UPPLDFJFRPUXCP-NSHDSACASA-N 256.302 0.176 0 50 CCAA C/C(=C(/F)C(=O)N1C[C@]2(CO)C[C@]2(CO)C1)C1CC1 1615546825 CKWATOHYVNRQNS-MMIWARKMSA-N 269.316 0.843 0 50 CCAA CCn1ccnc1CN1C[C@H](Cc2cnccn2)[C@@H](O)C1 1615734900 IDMMREBJQKFDQF-JSGCOSHPSA-N 287.367 0.728 0 50 CCAA Cc1nc(CN(C)C[C@@H]2CCC(=O)N(C)C2)no1 1775982094 HMDJESCGYQACTK-JTQLQIEISA-N 252.318 0.678 0 50 CCAA CCn1ccc(CN2CC[C@H](C(=O)O)[C@H](O)C2)n1 1772702390 JUGABSFPMYJNES-WDEREUQCSA-N 253.302 0.170 0 50 CCAA Cc1noc(CN(C)C[C@H]2CCC(=O)N(C)C2)n1 1775981273 CHTWLTPLVUTYGV-SNVBAGLBSA-N 252.318 0.678 0 50 CCAA O=C1CO[C@]2(CCN(C(=O)c3cncc(Cl)c3)C2)CN1 1772811567 WBZVECPRQOEZMY-CYBMUJFWSA-N 295.726 0.466 0 50 CCAA CN(C(=O)CN1C[C@H]2CNC[C@@]2(CO)C1)C1CCCCC1 1772704031 HZQSQFGNZYVTJD-CJNGLKHVSA-N 295.427 0.291 0 50 CCAA OCC1(CO)[C@H]2CN(Cc3ccccc3-n3cccn3)C[C@H]21 1772708526 BYJPUOLEKLTCKO-GASCZTMLSA-N 299.374 0.905 0 50 CCAA CC(C)(C)CN1CCC[C@](O)(CN2CCC(O)CC2)C1=O 12386877 FCFFRKQLPVOMEZ-INIZCTEOSA-N 298.427 0.843 0 50 CCAA CC(C)(CO)[C@H](O)C(=O)N[C@H]1CCC[C@@H](C(=O)O)C1 13477091 YWSFEKQJLZGRIO-KXUCPTDWSA-N 273.329 0.125 0 50 CCAA Nc1ccc(C(=O)NCCCN2CCOCC2)cc1 19798055 LTHBSUQRHMHMEC-UHFFFAOYSA-N 263.341 0.721 0 50 CCAA COc1ncccc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](C)CN2C1 1857738233 XYAWJLXAJVNZKP-TUAOUCFPSA-N 291.351 0.682 0 50 CCAA COc1cnc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)nc1 341211179 YSDJXORVOSLYCH-IQJOONFLSA-N 290.323 0.224 0 50 CCAA Cc1ccc(O[C@H](C)CNC(=O)[C@H]2C[C@H](O)CN2)cc1 151724626 XIYKTCFKMQSTIT-MBNYWOFBSA-N 278.352 0.601 0 50 CCAA CN(CC(=O)N[C@H]1CC[C@H](N)C1)Cc1ccncc1 216573288 ZHLGCAUBQDOXMS-STQMWFEESA-N 262.357 0.509 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1Cc1cc[nH]c(=N)c1 331360129 XLMFLZRWIVNTSO-GFCCVEGCSA-N 262.357 0.841 0 50 CCAA Cc1nnc(N2CC[C@@H]3NCCC[C@@]3(CO)C2)o1 248056626 YVTRTEAFINIKKS-JQWIXIFHSA-N 252.318 0.319 0 50 CCAA CC[C@H](C)N(CCO)c1nc(C)nc(N(C)C)n1 253427296 POJFVDOUOYDNTH-VIFPVBQESA-N 253.350 0.843 0 50 CCAA Cc1nn(CC(=O)N(C)[C@@H]2CCNC2)c2ncccc12 911787024 GPYYSMMZJCPQDC-LLVKDONJSA-N 273.340 0.560 0 50 CCAA O=C(NN1CCOC1=O)c1c(F)ccc2c1OCO2 827122394 JTHUNTXCXZJDTD-UHFFFAOYSA-N 268.200 0.651 0 50 CCAA C=CC(=O)NCCC(=O)N[C@@H]1CCn2ccnc2C1 1116675178 VCQYGNBKLSPCIG-SNVBAGLBSA-N 262.313 0.006 0 50 CCAA O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 225457096 KPFQUQPBVAIASO-GWOFURMSSA-N 253.298 0.877 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)CCC1CCNCC1 113214201 QHADPZGLDCSKIW-UHFFFAOYSA-N 267.373 0.503 0 50 CCAA O=C(O)CC1(NC(=O)c2cnccn2)CCOCC1 262513468 PIEFTDBQYNQWQS-UHFFFAOYSA-N 265.269 0.230 0 50 CCAA CN(C)[C@H](CNc1[nH]c(=N)[nH]c2ncnc1-2)C1CC1 2325735155 GXLYMGPXOBJZDY-MRVPVSSYSA-N 261.333 0.469 0 50 CCAA CCN1C[C@H]2C[C@@H]1CN2C(=O)N[C@@H]1CCC(=O)N[C@H]1C 2325768465 HDHHFCGGVYVWEG-IRCOFANPSA-N 280.372 0.142 0 50 CCAA C[C@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)OCc1ccccc1 139202 GXXVZDDKXXFASS-QMMMGPOBSA-N 290.279 0.002 0 50 CCAA COC(=O)CN1C(=O)c2ccc(C(=O)OC)cc2C1=O 139494 RKBOORVKPMUCLS-UHFFFAOYSA-N 277.232 0.242 0 50 CCAA CC(=O)N[C@]1(C(C)=O)C(=O)N(C(C)=O)c2ccccc21 196724 QCYQFLZZSAUBBP-AWEZNQCLSA-N 274.276 0.500 0 50 CCAA CCNC(=O)CNS(=O)(=O)c1ccc(C)cc1 2837153 CQUUVRHXQBZUPE-UHFFFAOYSA-N 256.327 0.409 0 50 CCAA N[C@@H]1C[C@H](C(=O)N2CCc3ccccc3CC2)C[C@H]1O 2356169332 PXWCGQSDJZFGOV-RRFJBIMHSA-N 274.364 0.712 0 50 CCAA CCOC(=O)C(=O)Nc1ccc2c(c1)OCCO2 4460451 OKBKDVSVNHJUCK-UHFFFAOYSA-N 251.238 0.959 0 50 CCAA C/C=C/Cn1c(=O)c2c(nc3[nH]c(C)c(C)n32)n(C)c1=O 8706191 AORGSSJBFUDJMH-AATRIKPKSA-N 287.323 0.869 0 50 CCAA biogenic CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COc2ccc(C)cc2)C1 345000802 UVGPUVXMJISHBC-STQMWFEESA-N 292.335 0.475 0 50 CCAA CC1(C)COC(=O)[C@](C)([C@@]2(C)NC(C)(C)COC2=O)N1 23477248 SXTIZAYCEOYVKM-OKILXGFUSA-N 284.356 0.354 0 50 CCAA O=c1[nH]c(=O)c2cccc(I)c2[nH]1 26894338 IXRBNJRIAAWODM-UHFFFAOYSA-N 288.044 0.821 0 50 CCAA COCCC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328634286 TYTKSJAXQNBCFI-SNVBAGLBSA-N 252.318 0.261 0 50 CCAA CCN1CCN(C(=O)c2ccon2)C[C@H]1c1nccn1C 328629510 OVYJVPKXZVXSOT-LBPRGKRZSA-N 289.339 0.927 0 50 CCAA CC(C)c1cc(C(=O)N2CCC(O)(CO)CC2)[nH]n1 67884459 SVSOQCFFOQHQFX-UHFFFAOYSA-N 267.329 0.493 0 50 CCAA O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCn2c(O)nnc2C1 330184186 QLJZKIMTQKFWFF-LPEHRKFASA-N 260.297 0.538 0 50 CCAA O=C(CCc1ccncc1)N1C[C@@H](F)C[C@H]1CO 330559688 HLFDFEVEDIIADJ-RYUDHWBXSA-N 252.289 0.946 0 50 CCAA C[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H](C)N1 153941771 QIFVNBMZCLKRMP-QWRGUYRKSA-N 250.346 0.562 0 50 CCAA COC[C@]1(C)CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)C1 332737230 WVWAPORPDCTWEM-SDDRHHMPSA-N 277.386 0.852 0 50 CCAA Cc1occc1C(=O)N1CCC[C@@](O)(CO)CC1 72150450 MHFZEZPIGAEEDN-ZDUSSCGKSA-N 253.298 0.938 0 50 CCAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 33359582 IFJOWFJWYZTPRQ-NSHDSACASA-N 289.401 0.127 0 50 CCAA Cn1c(=O)[nH]c2cc(C(=O)N3CCC[C@H]3C(=O)O)ccc21 237693138 WCSGDRAVTDAISL-NSHDSACASA-N 289.291 0.556 0 50 CCAA Cn1cc(C(N)=O)cc1C(=O)N1CCCC[C@H]1CN 237874527 YXERVURAMYBTGX-JTQLQIEISA-N 264.329 0.077 0 50 CCAA Cn1nnnc1SCCNC(=O)[C@H](N)c1ccccc1 71776039 GEVJFJREGZEJRY-SNVBAGLBSA-N 292.368 0.118 0 50 CCAA C[C@@H]1OCCN(C(=O)C[C@H]2CSCCN2)[C@H]1C 242324440 ZBHAOCKSHVDQJX-DCAQKATOSA-N 258.387 0.717 0 50 CCAA CC(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72437891 ZSNQGLSKBCSSQV-UHFFFAOYSA-N 275.356 0.745 0 50 CCAA Cc1c(C(=O)NCCS(=O)(=O)N2CCCC2)ccn1C 426489409 ULTMJWHTMMHYHZ-UHFFFAOYSA-N 299.396 0.489 0 50 CCAA Cn1c(SCCC(=O)O)nnc1[C@@H]1CCCNC1 426510038 HGGLTEGEMMGBNU-MRVPVSSYSA-N 270.358 0.849 0 50 CCAA CC(C)N1CCC[C@@H](C(=O)NCCc2cnn[nH]2)C1 426668377 ODYXMSRXNYTLSU-LLVKDONJSA-N 265.361 0.584 0 50 CCAA CC(C)n1cnnc1CCNC(=O)[C@@H](C)n1ccnc1 426657105 ZEKKQZZYUNDOTI-LLVKDONJSA-N 276.344 0.975 0 50 CCAA O=C(CO)N1CCC2(CCN(CC3CC3)CC2)[C@H](CO)C1 97553151 WFOYNKOQARKCCZ-AWEZNQCLSA-N 296.411 0.312 0 50 CCAA Cc1ncc(S(C)(=O)=O)c(NCCc2ccnn2C)n1 95381403 MVMBCZFPNGPTNA-UHFFFAOYSA-N 295.368 0.577 0 50 CCAA Cc1noc(C)c1NC(=O)NCCSc1nnnn1C 96140107 AKMCKUYIBLAEGT-UHFFFAOYSA-N 297.344 0.729 0 50 CCAA CN(Cc1[nH]c(=O)[nH]c1C(=O)O)CC1CCOCC1 97636617 LXSDQBXDKUOGRU-UHFFFAOYSA-N 269.301 0.260 0 50 CCAA CNCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 91364931 JRBDFPWGXRXGRT-NWDGAFQWSA-N 262.309 0.533 0 50 CCAA CCN1C[C@H](C(=O)NCC2(Cn3ccnc3)CC2)CC1=O 95369853 QAYXYCSACOGPHS-GFCCVEGCSA-N 290.367 0.648 0 50 CCAA C[C@H](CN(C)CC(=O)Nc1ccn(C)n1)N1CCOCC1 244842352 UPCRGURFRKCZJK-GFCCVEGCSA-N 295.387 0.011 0 50 CCAA CNc1ccc(NC2=CC(=O)NC2)cc1C(=O)N(C)C 524732543 AHGQABVAZQVZKY-UHFFFAOYSA-N 274.324 0.856 0 50 CCAA CC1(C)[C@H](NC(=O)C2(C(=O)O)CC2)[C@@H]2CCO[C@H]21 299742079 GTEGKMWKKRFJRQ-DJLDLDEBSA-N 253.298 0.781 0 50 CCAA CCC1=NO[C@@H](CN2CCN(c3nccnc3O)CC2)C1 253537399 VIEFYRNIZPLFLA-GFCCVEGCSA-N 291.355 0.859 0 50 CCAA CN1CC[C@@](C)(C(=O)NCCc2nc(C(=O)O)cs2)C1 534663978 KASKBJJFIJGMQD-CYBMUJFWSA-N 297.380 0.842 0 50 CCAA Cc1nn(CC(=O)NCCn2cncn2)c(C)c1C 534644257 SBBAMPMRHNDPHN-UHFFFAOYSA-N 262.317 0.216 0 50 CCAA O=C(CCCc1cn[nH]c1)N[C@H]1COC[C@@H]1N1CCCC1 534656846 KDGQXKRUHWQLDP-KBPBESRZSA-N 292.383 0.712 0 50 CCAA Cn1nc2cccc(NC(=O)CCCn3cncn3)c2n1 1940194768 NPXKYLATOYDXLF-UHFFFAOYSA-N 285.311 0.979 0 50 CCAA CN1CC[C@H](NS(=O)(=O)CCOc2ccccc2)C1=O 290716097 JYRXUMJTPQKTNE-LBPRGKRZSA-N 298.364 0.216 0 50 CCAA O[C@@H]1CCCN(CCCN=c2cc[nH]cc2F)C1 828627384 JZFLBNAUTUFYBT-LLVKDONJSA-N 253.321 0.901 0 50 CCAA Cc1c([C@@H](C)NC(=O)CSc2nnnn2C)cnn1C 584890904 OMHBPZPGHIBWER-SSDOTTSWSA-N 295.372 0.222 0 50 CCAA CCCn1cnnc1Cn1cnc2ncccc2c1=O 584896422 UOVKJACZBVSVRL-UHFFFAOYSA-N 270.296 0.841 0 50 CCAA COCCC1CCN(C(=O)CN2CC[C@@H](N(C)C)C2)CC1 584892440 LVECRAQQIHNUTO-OAHLLOKOSA-N 297.443 0.897 0 50 CCAA NC(=O)C1(C(=O)NC2(CO)CCCCCC2)CC1 584899762 ZFQFUCOIACCJFZ-UHFFFAOYSA-N 254.330 0.453 0 50 CCAA NC(=O)c1cncc(N2CCN(CC3CCCC3)CC2)n1 670448673 YCTZPKCIUYSQOL-UHFFFAOYSA-N 289.383 0.888 0 50 CCAA O=C1NCC2(CCN(C(=O)C[C@H]3CCOC3)CC2)O1 670469099 AVQOGYVHBQCOQB-SNVBAGLBSA-N 268.313 0.514 0 50 CCAA O=C(c1ccn2nccc2c1)N1CC[C@H](CO)[C@@H](O)C1 1152834537 JDQJUBRTMHCMEW-YPMHNXCESA-N 275.308 0.150 0 50 CCAA CC(C)OCC(=O)Nc1ccc(S(C)(=O)=O)nn1 1548453221 DXSBLRWJPJXOQX-UHFFFAOYSA-N 273.314 0.244 0 50 CCAA CN(C)C/C=C/C(=O)N(C)Cc1ccnc(N(C)C)n1 1875375664 ITAPSATVSUKWDW-VOTSOKGWSA-N 277.372 0.619 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCc3n[nH]c(C)c3C2)C1 1875387729 UYDHXLDRXZKQTH-UHFFFAOYSA-N 274.324 0.247 0 50 CCAA COC(=O)/C=C/CCNC(=O)[C@H](C(C)C)N1CCCC1=O 1875312176 VKLHNEOMFSXHJS-PXYYCUNGSA-N 296.367 0.869 0 50 CCAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1c1ncccn1 1775956950 FCKFRQLLIXKTQU-UWVGGRQHSA-N 290.327 0.760 0 50 CCAA COC(=O)c1nn(CC(=O)N2CCC(C)CC2)cc1CO 1775993438 QPSUZRFLHAPRIQ-UHFFFAOYSA-N 295.339 0.421 0 50 CCAA c1ncc(-c2cn(CCO[C@H]3CCOC3)nn2)cn1 899736307 ZVHJDOOKOKVWOM-NSHDSACASA-N 261.285 0.541 0 50 CCAA O=C(Cn1nc2ccccc2n1)N[C@@H]1C[C@H]2OCC[C@@H]12 1074588390 BXAAPNTVBRSSKA-ZWKOPEQDSA-N 272.308 0.725 0 50 CCAA CC[C@@H](C(=O)N[C@@H]1CCCOC1)N1CCCC1=O 170644222 IQVVAWBIKVKKEK-MNOVXSKESA-N 254.330 0.683 0 50 CCAA Cc1noc([C@H]2CCN(C(=O)[C@]3(C)CCCN3)C2)n1 638704507 JFBDFYSICFLFAO-GWCFXTLKSA-N 264.329 0.836 0 50 CCAA O=S(=O)(NCC1=CCNCC1)c1ccccc1 189294838 IHSXVRHFEDPHAN-UHFFFAOYSA-N 252.339 0.885 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1nc(C(C)(C)C)no1 643826207 IAMVUJBXXIAMHO-AWEZNQCLSA-N 296.371 0.833 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(F)(F)C1 644415772 BVQRCJMGAZFVQF-SECBINFHSA-N 276.283 0.227 0 50 CCAA O=C(CCn1cccn1)N1CCOC[C@]12CCOC2 195186807 HMKUIODFBFMTED-CYBMUJFWSA-N 265.313 0.291 0 50 CCAA CC1(C(N)=O)CN(C(=O)Cc2ccc3c(c2)OCO3)C1 580077877 ZABRMODOGUGFIL-UHFFFAOYSA-N 276.292 0.292 0 50 CCAA CCNc1ncc(C(=O)NC2CCOCC2)cn1 91694201 NBJBSQQIXSIMKP-UHFFFAOYSA-N 250.302 0.817 0 50 CCAA Cc1ccn(CCN2CCN(CCn3cncn3)CC2)n1 1506412415 CMGSEPONKJYNCP-UHFFFAOYSA-N 289.387 0.101 0 50 CCAA COCCCn1cnnc1CNCc1ncc(C)[nH]1 1506419903 LQXZKUQSGKANRP-UHFFFAOYSA-N 264.333 0.636 0 50 CCAA COCCN1CCC[C@@H](C(=O)Nc2nccn2C)C1 1529190093 DRONFNBXOMBBKZ-LLVKDONJSA-N 266.345 0.717 0 50 CCAA COc1cc(OC)nc(N[C@H]2CC=CC[C@@H]2C(N)=O)n1 1615746155 BZPMTHVAOUWNSO-IUCAKERBSA-N 278.312 0.726 0 50 CCAA Cc1nc[nH]c1CC(=O)N1CCc2n[nH]c(C)c2C1 1857690581 OGDIOAXYBDXALU-UHFFFAOYSA-N 259.313 0.877 0 50 CCAA O=C1[C@H]2CCCC[C@@H]2C(=O)N1CN1CCOCC1 17975614 XZHZJFQCMYCOGX-QWRGUYRKSA-N 252.314 0.451 0 50 CCAA COc1cccc(C[C@@H]2NC(=O)[C@H](CSC)NC2=O)c1 1857532768 RVUYZAJXXXOYKD-RYUDHWBXSA-N 294.376 0.584 0 50 CCAA NC1(C(=O)N=c2ccn([C@H]3CCNC3)[nH]2)CCCCC1 515124408 AXCXDKXGMHAAJO-NSHDSACASA-N 277.372 0.440 0 50 CCAA COc1ccc(CNC(=O)[C@]23CNC[C@H]2CCOC3)cc1 911935442 RSXQRKWWEMUQKA-CJNGLKHVSA-N 290.363 0.938 0 50 CCAA Cn1cc(C(=O)N2CCC[C@H](C3(O)CC3)C2)ccc1=O 1772807918 CRMOQLDZNCNYCZ-LBPRGKRZSA-N 276.336 0.762 0 50 CCAA NC[C@H]1CN(C(=O)[C@H]2COc3ccccc3C2)CCO1 110539625 ZTKGMZYCNJFBCI-OLZOCXBDSA-N 276.336 0.424 0 50 CCAA O=S(=O)(C[C@H]1CCCCO1)N1[C@H]2CCNC[C@H]1CC2 253396645 PVADIHVOXWWADH-JHJVBQTASA-N 288.413 0.712 0 50 CCAA CCN(Cc1noc(C)n1)[C@@H]1CCS(=O)(=O)C1 170834723 GAHOZSCIQFDXQD-SECBINFHSA-N 259.331 0.387 0 50 CCAA O=C(Cn1cccn1)N1CCC(c2nc[nH]n2)CC1 363362112 CGOFLIWWERAZEY-UHFFFAOYSA-N 260.301 0.407 0 50 CCAA Cc1ccc(C(=O)O)c(N2CC[C@H](O)[C@@H](O)C2)n1 1506418101 PDHRBBWJOBKODF-UWVGGRQHSA-N 252.270 0.020 0 50 CCAA CN1CC[C@H](O)[C@H](C(=O)NCCCOc2cccnc2)C1 2100556832 JJUIPDALMLDVEH-KGLIPLIRSA-N 293.367 0.279 0 50 CCAA O=S(=O)(NCc1nnc(C2CC2)o1)C1CCOCC1 2060372697 JGBNIOVWXNSVHJ-UHFFFAOYSA-N 287.341 0.545 0 50 CCAA C/C=C/C(=O)O[C@@H]1C=C[C@H](O)[C@@H](O)CCC(=O)O[C@@H]1C 2332926210 UONWLSGBOITROJ-XBCUMQOOSA-N 284.308 0.478 0 50 CCAA Cc1ccc(S(=O)(=O)N(CC(=O)O)CC(=O)O)cc1 274647 SZXDVECDHDWSAU-UHFFFAOYSA-N 287.293 0.155 0 50 CCAA COCCN1Cc2nnc(-c3nccn3C)n2[C@@H](C)C1=O 2356154750 IIUYDEQKWDCIIE-VIFPVBQESA-N 290.327 0.228 0 50 CCAA COC(=O)CN(C)C(=O)c1cc(OC)c(OC)c(OC)c1 6701712 QCZMBCSJUOKLDU-UHFFFAOYSA-N 297.307 0.957 0 50 CCAA CCN(Cc1cn(C)nn1)C(=O)[C@@]1(C)CCCN=C1O 330331177 XITLTFYDQAOVRS-ZDUSSCGKSA-N 279.344 0.920 0 50 CCAA CC[C@H](C)[C@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)O 261865068 YWURBUPUHDMGRD-KWQFWETISA-N 293.323 0.670 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 261573687 MJHIRLKYVOGKPM-KCRUCZTKSA-N 267.203 0.233 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2cncnc2)C1 284440569 AGWMGKFYGNCJRB-KBPBESRZSA-N 290.367 0.688 0 50 CCAA Cc1cnc(C)c(N2CCCN([C@H](C)CO)CC2)n1 368975582 XDUUAYZEHULRDD-GFCCVEGCSA-N 264.373 0.986 0 50 CCAA CN1C[C@@H]2[C@@H](CCCN2C(=O)c2cccc(CO)c2)C1=O 375588169 QBGSUXWZCFFGIX-ZIAGYGMSSA-N 288.347 0.872 0 50 CCAA C[C@](O)(CNS(=O)(=O)CCC1CCCCC1)C(=O)O 263486128 MTONBRUMMYJJPR-LBPRGKRZSA-N 293.385 0.712 0 50 CCAA Cc1ccn(CCC(=O)N[C@@H](C)Cn2cccn2)n1 222499643 IYUMYZFJRGOWSI-LBPRGKRZSA-N 261.329 0.983 0 50 CCAA C[C@@H](Cn1cncn1)NC(=O)CN(C)Cc1ccncc1 223718190 YLGQDAWQNNZZJT-LBPRGKRZSA-N 288.355 0.310 0 50 CCAA CCOCC(=O)NCc1cc2n(n1)CCCNC2 82109682 XAHRJVRHKPNTNF-UHFFFAOYSA-N 252.318 0.029 0 50 CCAA C[C@@H](C(=O)NCCCNc1cccnc1)N(C)C 426428671 ABJTUBYGFVLWMW-NSHDSACASA-N 250.346 0.950 0 50 CCAA O=C(NCCCc1nn[nH]n1)N[C@@H](CO)c1ccccc1 426412318 BOJUOHQXSMEXDI-NSHDSACASA-N 290.327 0.165 0 50 CCAA CCC[C@@H](NC(=O)CNC(C)=O)c1nccn1C 222483595 UVGSWBCDIIUXEO-SNVBAGLBSA-N 252.318 0.514 0 50 CCAA COCCN(C)C[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1CO 91350591 AWRJFGSDSKILRF-CHWSQXEVSA-N 296.367 0.538 0 50 CCAA CCN1C[C@H](C(=O)NCCn2cc(C)cn2)CC1=O 95392022 IWXNFXCKHKXFSB-LLVKDONJSA-N 264.329 0.176 0 50 CCAA Cc1nc(N)nc(N[C@@H]2CCCOC2)c1CCC(=O)O 95366862 UCMBECCTCQHTGL-SECBINFHSA-N 280.328 0.975 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)[nH]n1 244787819 QEFAWYCIRBGEMU-NSHDSACASA-N 292.339 0.885 0 50 CCAA CNC(=O)c1n[nH]c2c1[C@H]([C@H]1CC[C@@H](N)CC1)CC(=O)N2 244633584 GFLJTASFRQZGBP-YIZRAAEISA-N 291.355 0.713 0 50 CCAA NC(=O)[C@@H]1CN(c2ncc(F)cn2)C[C@H]1C(F)(F)F 299740659 AZXAGSBWFLZZGS-RNFRBKRXSA-N 278.209 0.716 0 50 CCAA Cc1cccc(OC2CN(C(=O)N[C@H]3CCNC3=O)C2)c1 534657519 OATUMWOCAFYDGO-ZDUSSCGKSA-N 289.335 0.656 0 50 CCAA CC(C)[C@@H](CNC(=O)c1cncc(=O)[nH]1)N(C)C 534651815 IOECHXQGVRQPIX-SNVBAGLBSA-N 252.318 0.086 0 50 CCAA Cc1n[nH]nc1C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C 299755785 CUOPKHOMSTXIPX-SNVBAGLBSA-N 279.344 0.442 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)c1cccn1C 825253613 PKDJQEAQZQFJQM-UHFFFAOYSA-N 258.325 0.992 0 50 CCAA COc1ccc(Cn2ncnc2C2(C(N)=O)CC2)cc1 824674452 GATKUFZRWOKZGZ-UHFFFAOYSA-N 272.308 0.852 0 50 CCAA COCCN1CCC[C@H](CNC(=O)c2cccc(O)n2)C1 824413125 DWWBAKZPLXYJGA-GFCCVEGCSA-N 293.367 0.875 0 50 CCAA O=C(CS(=O)(=O)NCCCO)c1ccccc1 725375485 INSQGNVNNCKZHX-UHFFFAOYSA-N 257.311 0.171 0 50 CCAA Nc1n[nH]c(Cn2cnc3cccc(Cl)c3c2=O)n1 584888362 OIQXXJKYVAHFFM-UHFFFAOYSA-N 276.687 0.799 0 50 CCAA O=C(C[C@@]1(O)CCCNC1)NC[C@H](O)c1ccc(F)cc1 864091689 GZJGATRPXHKSGW-ZFWWWQNUSA-N 296.342 0.480 0 50 CCAA Cc1ccc([C@H](C(=O)N2CCCNC(=O)C2)N(C)C)cc1 584885325 QMJNJJOCPZAFRU-OAHLLOKOSA-N 289.379 0.946 0 50 CCAA Cc1nonc1CN1C[C@H](O)[C@@H](N2CCCCC2)C1 670450038 BENZMJBQUKDJOJ-STQMWFEESA-N 266.345 0.409 0 50 CCAA Cn1nccc1CN1CCC[C@@H](c2nnc(CO)n2C)C1 670439022 CGYBAYHMNGIAOS-LLVKDONJSA-N 290.371 0.421 0 50 CCAA CCC[C@H]1C(=O)NCCN1C(=O)c1cnn2cccnc12 270922008 UYGJHZUBAOBALR-NSHDSACASA-N 287.323 0.470 0 50 CCAA CCc1nc([C@@H]2COC[C@@H]2Nc2ccnc(CO)c2)n[nH]1 1875398914 IWXRHFOUHKPFMM-NEPJUHHUSA-N 289.339 0.849 0 50 CCAA CNC[C@@H](O)CN1CCN(CCc2ccccc2)CC1 952877384 PKIJGRCEFCQXAJ-MRXNPFEDSA-N 277.412 0.427 0 50 CCAA O=C(N[C@H](CO)c1ccccc1)[C@@H]1CCn2ncnc2C1 1875283492 UOTQGBGHUVXQJD-CHWSQXEVSA-N 286.335 0.690 0 50 CCAA Cc1nnsc1C(=O)N(CCO)Cc1nccn1C 952964775 NTYOJIGBXCXITE-UHFFFAOYSA-N 281.341 0.215 0 50 CCAA CC[C@@H](C(=O)O)N(C)C(=O)/C=C/c1cnc(N(C)C)nc1 952972917 JLXANGBDRWPLHS-MLRMMBSGSA-N 292.339 0.877 0 50 CCAA Cc1noc(C[C@]2(O)CCCN(CCc3cn[nH]c3)C2)n1 886079378 JLGJUMQLGWWQHS-CQSZACIVSA-N 291.355 0.713 0 50 CCAA NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 16527359 SPURIIKBXLZZSZ-SNVBAGLBSA-N 284.337 0.243 0 50 CCAA C[C@H](O)CN1CCN(Cc2noc(C3CC3)n2)C[C@H]1C 247171319 MWVMUCNTFUOCKS-MNOVXSKESA-N 280.372 0.834 0 50 CCAA CNC(=O)[C@H]1CN(C[Si](C)(C)c2ccccc2)CCO1 170607522 MJJMJQASNJOIKY-CQSZACIVSA-N 292.455 0.588 0 50 CCAA O=c1[nH]ncn1Cc1nc(-c2ccc3c(c2)CCO3)no1 170614891 WGZZFSQGPIYEGV-UHFFFAOYSA-N 285.263 0.605 0 50 CCAA O=C(NC[C@H](O)CN1CCOCC1)c1ccsc1 303047540 KMEKILVYKPMGKY-NSHDSACASA-N 270.354 0.171 0 50 CCAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1ccnn1 188734515 WHDOUGJMAVTATM-PWSUYJOCSA-N 266.345 0.846 0 50 CCAA COC(=O)[C@H]1[C@H](O)CCCN1CCCn1ccnc1 189546275 MBDRIBVXPLNLNK-VXGBXAGGSA-N 267.329 0.272 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccn(C)c1 643940433 IEGLSORNCATTMY-CYBMUJFWSA-N 265.313 0.132 0 50 CCAA Cc1[nH]nc(C(=O)NC2(CC(=O)O)CCOCC2)c1C 716727634 IFAKVXHZXHPGPR-UHFFFAOYSA-N 281.312 0.780 0 50 CCAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CC(C(F)F)C1 676105328 IJKCLUHWAPAMAP-UHFFFAOYSA-N 293.277 0.928 0 50 CCAA Cc1ccnc(N2CC[C@@](O)(Cn3ccnn3)C2)n1 794048590 CPMWLDQMOZNVSN-LBPRGKRZSA-N 260.301 0.018 0 50 CCAA Cc1cc(C[C@@H]2CN(c3cnccn3)C[C@H]2O)n[nH]1 1529166850 ADEKOKDNCSIBHQ-ZYHUDNBSSA-N 259.313 0.548 0 50 CCAA Cc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 4806411 WGEZOEILERPXKC-LLVKDONJSA-N 253.323 0.912 0 50 CCAA CS(=O)(=O)CCC(=O)NCc1[nH]nc2ncccc12 1772804800 UZQDETMJMGUOGR-UHFFFAOYSA-N 282.325 0.009 0 50 CCAA Cc1cn2nnc(C(=O)NCCc3ccncc3)c2c(=O)[nH]1 206644534 CMSOSRBPRCHUJO-UHFFFAOYSA-N 298.306 0.094 0 50 CCAA O=C(CCCn1cccc1)N[C@H]1CCS(=O)(=O)C1 158810215 ZHLMACZYDZXRSO-NSHDSACASA-N 270.354 0.572 0 50 CCAA CCc1cccc(OCCN2CCC[C@@](O)(C(N)=O)C2)c1 225480928 YXSJOTATJYYKEJ-INIZCTEOSA-N 292.379 0.940 0 50 CCAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1cc[nH]n1 328610409 HSHUASNIBJTMNF-GWCFXTLKSA-N 289.339 1.476 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccncc1 643953955 GVUFPPYEBOZJAS-CQSZACIVSA-N 277.324 0.449 0 50 CCAA CO[C@H]1C[C@@H](CO)N(C(=O)c2cn(CCC(C)C)nn2)C1 345528201 ANVNGAKCEXZPRV-RYUDHWBXSA-N 296.371 0.546 0 50 CCAA COC(=O)c1cncc(N2CC[C@@H](N(C)C)[C@@H]2C)n1 389222562 WXANPABNSPRDFV-GXSJLCMTSA-N 264.329 0.792 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H](n2ccnc2)C1 859181955 ZMPCRJJOXGNZLZ-GFCCVEGCSA-N 276.340 0.691 0 50 CCAA C[C@@H]1CN(C(=O)Cn2cc(C(=O)O)nn2)C(C)(C)C1 262942703 BONFHOWTXNWEMJ-QMMMGPOBSA-N 266.301 0.623 0 50 CCAA C[C@@]1(C(=O)O)CCCN1C[C@H](O)CN1CCCC1 311086185 XSJYKYWQZOYHSB-YPMHNXCESA-N 256.346 0.382 0 50 CCAA CC[C@H]1CCN(C(=O)c2[nH]nnc2[C@H]2CCCN2)CCO1 2325774928 HEXHHCTWKLJTLY-WDEREUQCSA-N 293.371 0.870 0 50 CCAA C[C@H](C(=O)N[C@H](c1nn[nH]n1)C1CC1)n1cccc1 2325806889 MUVKSAKPFSILNW-SCZZXKLOSA-N 260.301 0.830 0 50 CCAA COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccn1 71035 RJXDJUGYKYSTCE-JTQLQIEISA-N 272.268 0.530 0 50 CCAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1 186557 LWZATQDWEXAGQR-LLVKDONJSA-N 285.321 0.933 0 50 CCAA O=C1CCc2c1cccc2C(=O)N1C[C@@H]2CNC(=O)[C@@H]2C1 2356134205 DDOKEYPFCAEMSJ-TVQRCGJNSA-N 284.315 0.634 0 50 CCAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2cc[nH]n2)C1 2356146807 WNCCXZWPYQJZOH-OAHLLOKOSA-N 298.350 0.732 0 50 CCAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1n[nH]c2c1COCC2 2356154184 LOPMCOOVPZFLPI-KYZUINATSA-N 293.323 0.856 0 50 CCAA CCCNS(=O)(=O)c1ccc(NC(=O)COC)cc1 6701550 JQNLJMGMOMCWKJ-UHFFFAOYSA-N 286.353 0.960 0 50 CCAA COC(=O)c1c(OC)ccc(S(C)(=O)=O)c1OC 306146042 IPVORZVNUODJSE-UHFFFAOYSA-N 274.294 0.894 0 50 CCAA NC(=O)NCC(=O)N1CCC[C@H](OCc2cccnc2)C1 77339676 OJLOWBDUOWLRHI-LBPRGKRZSA-N 292.339 0.258 0 50 CCAA COc1ccccc1CN1CCN(CCOCCO)CC1 22033022 LKMPEFWDVOPCGA-UHFFFAOYSA-N 294.395 0.822 0 50 CCAA C[C@@H]1c2ccccc2CCN1C(=O)CNC(=O)CN 124835679 BGMNHDFYVVLZGN-SNVBAGLBSA-N 261.325 0.207 0 50 CCAA C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@H]2[C@@H](C1)C2(F)F 253426231 YWCGZMTYPYCUCL-FKTZTGRPSA-N 287.310 0.950 0 50 CCAA C[C@H](C1CC1)n1nccc1NC(=O)[C@@H]1CNCCO1 150718859 YEWASZMPEDSQRB-KOLCDFICSA-N 264.329 0.781 0 50 CCAA Cn1cnc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c1Cl 363748518 UIPVGCQTKVAPOS-BQBZGAKWSA-N 297.739 0.167 0 50 CCAA C[C@@H]1CC(NC(=O)N2CCNC(=O)CC2)C[C@@H](C)O1 155066535 ZLKWOMRMMJTNAQ-NXEZZACHSA-N 269.345 0.474 0 50 CCAA NC[C@H]1CC(C(=O)NCC[C@@H]2CCCCO2)=NO1 852885175 SHOPHYZIGDSYKN-VHSXEESVSA-N 255.318 0.165 0 50 CCAA O=C(CCc1cccc2c1OCO2)N1C[C@@H](O)C[C@H]1CO 368999902 GWHFUPZYDYMNDV-RYUDHWBXSA-N 293.319 0.302 0 50 CCAA Cn1ccnc1[C@H]1CCN(c2ccc(C(N)=O)cn2)C1 374349670 IHBMKUAPFYSYHK-NSHDSACASA-N 271.324 0.908 0 50 CCAA Cc1nn(C)c(C)c1[C@@H]1COCCN1CC(=O)N1CCC1 374468752 FBQLCEQXGQGFDA-ZDUSSCGKSA-N 292.383 0.643 0 50 CCAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc2c(c1)OCO2 237438044 OBYLGFNFODRVBM-NXEZZACHSA-N 298.364 0.916 0 50 CCAA CN(C)C[C@]1(O)CCN(C(=O)c2ccn(C(F)F)n2)C1 72172951 JNHHFQUIGMEIHJ-GFCCVEGCSA-N 288.298 0.417 0 50 CCAA O=C(Cc1ncccc1F)NC[C@H]1CN(C2CC2)CCO1 376716383 SJLHVASFDAENNS-LBPRGKRZSA-N 293.342 0.743 0 50 CCAA C[C@H](N)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 334219515 UPVKOGMJZDBYMG-SFYZADRCSA-N 253.268 0.429 0 50 CCAA Cc1ccc(-n2cc(C(=O)N3CC[C@@H](N)C3)nn2)cc1 237829472 LMFKNLLLBMOJBB-LLVKDONJSA-N 271.324 0.749 0 50 CCAA O=c1c2ccc(F)cc2ncn1CCOCCO 42451666 XDZDLAIKFOMVIQ-UHFFFAOYSA-N 252.245 0.545 0 50 CCAA Cc1nc(CC(=O)N[C@@H]2COc3ccccc3C2=O)n[nH]1 613038923 DQOYEMPVODPMSU-SNVBAGLBSA-N 286.291 0.416 0 50 CCAA Cc1cc(=O)c(C(=O)NC2(C(=O)O)CCCC2)cn1C 426535674 IWBGJBIFMVXSJS-UHFFFAOYSA-N 278.308 0.821 0 50 CCAA CCN1C[C@@H](C(=O)NCc2cnc(SC)n2C)CC1=O 95369926 RXJWHPUGPSQYGX-VIFPVBQESA-N 296.396 0.627 0 50 CCAA COc1cccc2c1OC[C@@H](CNC(=O)CN(C)C)C2 95362839 URAGMQIRFJBSMM-LLVKDONJSA-N 278.352 0.924 0 50 CCAA CN(C[C@@H]1COCCO1)C(=O)NCCc1cn[nH]c1 426373894 YMQAMJCSSISFRB-LLVKDONJSA-N 268.317 0.009 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)C2[C@@H]3CCC[C@@H]23)CCO1 161833691 JNSFGLXBPMHOSS-OPRDCNLKSA-N 253.298 0.735 0 50 CCAA CCC[C@@]1(CO)CCCN(Cc2cc(=O)[nH]c(O)n2)C1 91411642 XUQBKPALIUKCKB-CQSZACIVSA-N 281.356 0.850 0 50 CCAA COCC[C@]1(O)CCN(CCS(C)(=O)=O)C[C@H]1C 91706677 JVNVSTKXZNHTJF-VXGBXAGGSA-N 279.402 0.140 0 50 CCAA O=C(NCCCn1ccnn1)c1ccccc1-n1cnnc1 426667670 VUANYTDVCUSVFW-UHFFFAOYSA-N 297.322 0.679 0 50 CCAA COCCN1CCN(C(=O)c2cc(C)nc(C)n2)CC1 330877193 XGNNXZGVCIBZCT-UHFFFAOYSA-N 278.356 0.498 0 50 CCAA COC(=O)c1c(O)[n+](=O)c2ccc(OC)cc2n1O 334157357 IMYVZUHFIYHAPP-UHFFFAOYSA-O 267.217 0.294 0 50 CCAA COCc1ccc(C(=O)N2CCNC[C@@H](C(=O)O)C2)cc1 97604219 NYGDRZPEWSTCSI-CYBMUJFWSA-N 292.335 0.579 0 50 CCAA C[C@@H](Cc1cnccn1)N(C)CCn1cc[nH]c1=O 252486837 HPFIOMJHYMOQQK-NSHDSACASA-N 261.329 0.529 0 50 CCAA CCN(C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2N)C1 299738529 BYYFCJOPRSAGSS-RWMBFGLXSA-N 253.390 0.914 0 50 CCAA CO[C@H]1CCN(S(=O)(=O)c2c(C)noc2C)C1 267827688 ZDZJGNAXDOHHMJ-VIFPVBQESA-N 260.315 0.701 0 50 CCAA Cc1nc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)no1 299759105 NQTGFHOLRKFEGP-GFCCVEGCSA-N 294.355 0.416 0 50 CCAA Nc1nnnn1CC(=O)N1CCC2(CCCCCC2)C1 299782802 VPJDIKNIUZQXIK-UHFFFAOYSA-N 278.360 0.828 0 50 CCAA CCCN1CCC[C@@H](NS(=O)(=O)N2CCCC2)C1 822922696 FGYIIBOMFXOLLP-GFCCVEGCSA-N 275.418 0.791 0 50 CCAA CN1CCN(C(=O)c2noc3c2CCCC3)C[C@@H]1CO 585134063 CEOZONPCQXHGGT-SNVBAGLBSA-N 279.340 0.302 0 50 CCAA N[C@@H]1CNCC[C@@H]1[C@@H]1CC[C@@H](C(F)(F)F)NC1 757215685 WYYGDDNDDMKZKV-KYXWUPHJSA-N 251.296 0.854 0 50 CCAA Cn1ncc(Cl)c1C(=O)N1CC[C@@H]([C@@H](F)C(=O)O)C1 1548598404 DEPOAWFJJKHFMQ-HTRCEHHLSA-N 289.694 0.958 0 50 CCAA O=C(NCC1(c2ccc(F)cc2)CC1)[C@@H]1C[C@H](O)CN1 269211152 AWSXIVJDBYAGFJ-STQMWFEESA-N 278.327 0.696 0 50 CCAA CNC(=O)c1ccc(N2CCC(CCC(N)=O)CC2)nc1 1875363424 NQZRSRYOHQDETQ-UHFFFAOYSA-N 290.367 0.923 0 50 CCAA O=C(Nc1nccs1)C1CN(C(=O)[C@@]23C[C@@H]2[C@H](O)C3)C1 1875313540 UCCWMKNNMKIVLU-JRKPZEMJSA-N 293.348 0.311 0 50 CCAA CCN(CC)C(=O)N1CCO[C@@H](CN2CCOCC2)C1 952992533 HUBZIWJEHOEBMU-ZDUSSCGKSA-N 285.388 0.481 0 50 CCAA CCc1[nH]nc2c1CN(C(=O)[C@H](C)Cn1cncn1)CC2 952987338 LKECIRJXCLCJGT-SNVBAGLBSA-N 288.355 0.785 0 50 CCAA CCOC(=O)C1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 72267040 RCWFRIPIIZSBEJ-UHFFFAOYSA-N 273.285 0.871 0 50 CCAA in-vitro O=C1CCN(C(=O)Cn2cc(C3CC3)cn2)[C@@H]2CCCN12 888160800 DBJXOGCIICVSJR-CYBMUJFWSA-N 288.351 0.941 0 50 CCAA Cc1ccc2nc(CNC(=O)N[C@H]3CNC[C@@H]3O)[nH]c2c1 1565512675 APBALGWILDYGFX-RYUDHWBXSA-N 289.339 0.003 0 50 CCAA O=C(O)c1ccccc1CC(=O)N1CCS(=O)(=O)CC1 135817621 JEVAIKICRCASDT-UHFFFAOYSA-N 297.332 0.184 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1cnn(CC(=O)NC)c1 277088308 VKPNYWABEZIUMV-NEPJUHHUSA-N 294.355 0.773 0 50 CCAA CO[C@@H]1CCN(C(=O)c2cn(C(C)(C)C)nn2)C1 408328291 IYLGWRBZAPKDNF-SECBINFHSA-N 252.318 0.894 0 50 CCAA CCCSCC(=O)NS(=O)(=O)c1c(C)n[nH]c1C 225527393 MLZZIUQPDMQFEC-UHFFFAOYSA-N 291.398 0.975 0 50 CCAA Cc1noc([C@@H]2CCN(C(=O)[C@]3(C)CCCN3)C2)n1 638704509 JFBDFYSICFLFAO-MFKMUULPSA-N 264.329 0.836 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1CC[C@H](CC(=O)O)C1 560419327 LJRLFTLNUSKQPG-SECBINFHSA-N 287.341 0.214 0 50 CCAA CO[C@H](C)CS(=O)(=O)N=c1cc[nH]c2cccnc12 585128666 JUGZETWLOIYISO-SECBINFHSA-N 281.337 0.828 0 50 CCAA O=C(Cn1nnc2ccccc21)N1[C@H]2CC[C@H]1COC2 1417907039 AGEBILNRCNQJAE-QWRGUYRKSA-N 272.308 0.821 0 50 CCAA Cc1nc(O)cc(CNC(=O)c2nc(Cl)n(C)n2)n1 1857675748 DQLGRVPDKFWUJJ-UHFFFAOYSA-N 282.691 0.203 0 50 CCAA CC(C)N1C[C@@H](CN2CC3(CNC(=O)N3)C2)CCC1=O 1800410608 XCTXAPNBHLFJDL-LLVKDONJSA-N 280.372 0.001 0 50 CCAA Cn1cncc1C(=O)N1CCCN([C@H]2CCOC2)CC1 1800413398 FTEPFMOBOJOBFM-LBPRGKRZSA-N 278.356 0.357 0 50 CCAA O=C(c1ccco1)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1616081679 HHKRRSPQVLFIJS-JQWIXIFHSA-N 273.292 0.745 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1ncc(C)o1 643824440 TXSHIBKHMNFOBG-GFCCVEGCSA-N 253.302 0.449 0 50 CCAA O=C1CC[C@H](C(=O)NO[C@@H]2CCOC2)n2cccc21 1875261353 UJQZIDMKTZYNDC-MWLCHTKSSA-N 264.281 0.842 0 50 CCAA COc1cccn2ncc(C(=O)NC3CC4(C3)C[C@@H]4N)c12 1615545032 DCLJQDXDYWRWGJ-RHJSQNMRSA-N 286.335 0.953 0 50 CCAA O=C(CN1C[C@@H]2COCC[C@]2(CO)C1)Nc1ccccc1 1772710937 UGKANVDXUDXYRF-CZUORRHYSA-N 290.363 0.956 0 50 CCAA CN1C[C@H](CN2CCC(CCC(N)=O)CC2)CCC1=O 1775981914 KIWYZHCLDMFDIG-CYBMUJFWSA-N 281.400 0.832 0 50 CCAA C[C@@H](Oc1ccccc1)C(=O)N1CCN(CCO)CC1 20406515 YYMTZPPIAKLSFL-CYBMUJFWSA-N 278.352 0.590 0 50 CCAA CN(C)c1nc2nonc2nc1N(C)Cc1ccncn1 15079915 BTTQBWCJKKDKDI-UHFFFAOYSA-N 286.299 0.505 0 50 CCAA O[C@@H](CN1CCC(Cn2cccn2)CC1)C1CCNCC1 1857670610 BORWUXPWDHSNJW-INIZCTEOSA-N 292.427 0.956 0 50 CCAA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1nc[nH]n1 225432854 LEIBSZUXSHXGET-WCBMZHEXSA-N 276.300 0.046 0 50 CCAA COc1ccnc(CN2CCO[C@@H](Cn3ccnn3)C2)c1 639862675 YBRHYQLQSBFOAR-CQSZACIVSA-N 289.339 0.583 0 50 CCAA O=C(N[C@@H]1COCC[C@H]1O)c1ccnc(NC2CCC2)c1 913725284 RMKPTYQPIZHKKV-CHWSQXEVSA-N 291.351 0.926 0 50 CCAA CCCS(=O)(=O)NC1CCN(C[C@H](C)OC)CC1 182062437 LRPAAUWRZZKGRN-NSHDSACASA-N 278.418 0.815 0 50 CCAA O=C(C[C@]1(O)CCCNC1)NCC[C@H]1CCCCO1 888096648 NQEROOPZAWTGEB-TZMCWYRMSA-N 270.373 0.566 0 50 CCAA COC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 581947 APBFMKXLABDIGZ-UHFFFAOYSA-N 287.293 0.354 0 50 CCAA O=C1C[C@@H](C(=O)N[C@H](C(=O)O)c2ccccc2)CN1 134085331 XXYHSHNISIBXRA-KOLCDFICSA-N 262.265 0.065 0 50 CCAA O=c1c2cnc3ncnn3c2ccn1Cc1ccccn1 9265850 LZOHTWGVISQJKC-UHFFFAOYSA-N 278.275 0.883 0 50 CCAA Cc1noc(C[C@@H]2C(=O)NCCN2Cc2ccc(C)o2)n1 20535560 OIDGQDPWGIIFIC-GFCCVEGCSA-N 290.323 0.823 0 50 CCAA Cc1cccc(-n2c(Cc3nnn[nH]3)n[nH]c2=O)c1C 65384849 LYYWGEXSHAAWIY-UHFFFAOYSA-N 271.284 0.281 0 50 CCAA CCNC(=O)c1cc(S(=O)(=O)NCC)ccc1OC 10008858 ISLPNRNRXLQVTP-UHFFFAOYSA-N 286.353 0.743 0 50 CCAA O=C(NCCn1nnc2ccccc21)Nc1nc[nH]n1 20600983 BEPANVSITBAXLY-UHFFFAOYSA-N 272.272 0.371 0 50 CCAA Cn1ccnc1-c1cnn(CC(=O)Nc2ccnn2C)c1 63870003 OJMFSYNFZTYGMB-UHFFFAOYSA-N 285.311 0.656 0 50 CCAA COCC(C)(C)N1CCN(C(=O)Cc2nnc(C)o2)CC1 424989262 IBIXTBAPBWKUDV-UHFFFAOYSA-N 296.371 0.490 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)CC2=CCCCC2)C1 284701672 XRJWIZPCDWLKTK-RYUDHWBXSA-N 266.341 0.978 0 50 CCAA O=C(CCOc1ccccc1)NCCc1n[nH]c(=O)[nH]1 219167003 LKNZVXBCYILIFI-UHFFFAOYSA-N 276.296 0.226 0 50 CCAA CO[C@@H]1CCCN(C(=O)C2(OC)CCNCC2)C1 151893159 XMEGRVMNWILXQW-LLVKDONJSA-N 256.346 0.392 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1cc(O)ccc1N 670441067 HNQCXTHXTQTYID-QWRGUYRKSA-N 252.270 0.118 0 50 CCAA C[C@@H]1CN(Cc2cc[nH]n2)C[C@H]1C(=O)N1CCOCC1 284825810 MEUUISWEUYEDBY-DGCLKSJQSA-N 278.356 0.336 0 50 CCAA Cc1ccc(O)c(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 284969573 YAAVNJAJRWFGKA-PWSUYJOCSA-N 276.340 0.694 0 50 CCAA C[C@H]1C[C@H](CO)CN(C(=O)NC[C@H]2CCCO2)C1 333704073 HLXUTGDVBIVPAD-SDDRHHMPSA-N 256.346 0.825 0 50 CCAA Cn1ncnc1NC(=O)N[C@H](CO)Cc1ccccc1 156603574 PARSMYWCLBPNDU-NSHDSACASA-N 275.312 0.540 0 50 CCAA Cc1ncsc1CCCNC(=O)CN1CCC[C@H](O)C1 216238328 LYDVYXMHHHANPX-LBPRGKRZSA-N 297.424 0.957 0 50 CCAA Cc1cccc(OC[C@@H](O)CNC(=O)/C=C/CN(C)C)c1 492169200 UOSMKACGAFLMLS-GPAKFWEMSA-N 292.379 0.969 0 50 CCAA CCCC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 132177877 ALZCMSODPXXBAZ-OLZOCXBDSA-N 281.400 0.893 0 50 CCAA O=C1CN(CC(=O)N2CC3(CCC3)[C@@H]2C2CC2)C(=O)N1 336491733 SMTQTWIXJLXFJN-LBPRGKRZSA-N 277.324 0.329 0 50 CCAA O=C(CC(=O)N1CCOCC1)NCc1ccccc1 244045100 SYVBETUQYCVMBV-UHFFFAOYSA-N 262.309 0.552 0 50 CCAA CN(C)C(=O)NCC(=O)N(C)CCCn1cccn1 221368756 ZBRUTPPXIPALDJ-UHFFFAOYSA-N 267.333 0.003 0 50 CCAA N[C@@H]1CN(C(=O)NCCCCc2ccccc2)C[C@H]1O 426580930 FYTMQTFXNWRHSW-ZIAGYGMSSA-N 277.368 0.723 0 50 CCAA Cc1ccn2c(C(=O)NCCN3CCCC3)nnc2n1 426712238 VNDBDXUBNJFHQE-UHFFFAOYSA-N 274.328 0.258 0 50 CCAA CC(C)C(=O)N1CCn2nc(CN[C@H]3CCOC3)cc2C1 426382900 JVCBQRQBIDPGFL-LBPRGKRZSA-N 292.383 0.760 0 50 CCAA O=C(CCc1cn[nH]c1)NCCCN1CCOCC1 97732989 MSYGBDPYQTYQDB-UHFFFAOYSA-N 266.345 0.181 0 50 CCAA Cc1nnc(CN(C)Cc2cccc(OCC(N)=O)c2)o1 97495148 BZQPTLNRQAZKDR-UHFFFAOYSA-N 290.323 0.874 0 50 CCAA COc1ccc(C(=O)C23CN4CN(CN(C4)C2)C3)cc1 96316001 JDQMIEDBGMXWHK-UHFFFAOYSA-N 273.336 0.684 0 50 CCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc(O)no2)on1 96180370 VLVPBXDBYXLWCP-SCZZXKLOSA-N 293.279 0.664 0 50 CCAA COc1ccc(-n2cc(CN3CCNCC3)nn2)cc1F 232313877 KKRDFKYMPDFCKW-UHFFFAOYSA-N 291.330 0.820 0 50 CCAA CN(C[C@H]1CCOC1)C(=O)C(C)(C)N1CCOCC1 346363968 FPSKXNGMRWSBKN-GFCCVEGCSA-N 270.373 0.592 0 50 CCAA COc1ccnc(C(=O)NCCc2nncn2C)c1 244626772 FSMFEMMSDKQCEE-UHFFFAOYSA-N 261.285 0.191 0 50 CCAA CCC(=O)N1CCC(C(=O)N2CCCN(C)CC2)CC1 822529705 PUBHZYDTBMYUDV-UHFFFAOYSA-N 281.400 0.799 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCOc2ccc(CO)cc2C1 828827017 BVUGWXBGCLKAOH-ZDUSSCGKSA-N 274.320 0.428 0 50 CCAA Cc1[nH]c(=N)sc1CC(=O)N[C@H](C)c1n[nH]c(=N)s1 584889648 QKIIAXKSKHADKS-RXMQYKEDSA-N 298.397 0.548 0 50 CCAA CC(C)C[C@H](CNC(=O)C1=NNC(=O)C1)CC(=O)O 585134750 IRJLHVSJVVIVEW-QMMMGPOBSA-N 269.301 0.116 0 50 CCAA CCc1nc(CN(C)C[C@H]2CC(=O)N(C)C2)n[nH]1 670444680 NOEQTAJVFNHHLP-SECBINFHSA-N 251.334 0.277 0 50 CCAA C[C@H](NC(=O)N1CCC(N)CC1)c1cn2ncsc2n1 670447604 YEEBDHAFCUMXJS-QMMMGPOBSA-N 294.384 0.985 0 50 CCAA Cc1cc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)ccn1 685941785 IMOUNZDKGYPVRB-QWHCGFSZSA-N 288.307 0.689 0 50 CCAA CC(=O)N[C@@H]1C[C@H](C(=O)O)C[C@@H]1n1cc(C2CC2)nn1 685942377 SDUYXLDJOGKSLQ-UMNHJUIQSA-N 278.312 0.696 0 50 CCAA O=C(Cc1nc(C2CC2)n[nH]1)N1CCN(C2CC2)C(=O)C1 952876756 DTOVVUZGLDDKDX-UHFFFAOYSA-N 289.339 0.058 0 50 CCAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC[C@@H](O)CO 952995428 LUHGGVWONCIJTP-AAVRWANBSA-N 287.400 0.933 0 50 CCAA Cc1cc(C2(C(=O)NO[C@H]3CCOC3)CC2)on1 1875269778 PPFYZODXXJNAHT-VIFPVBQESA-N 252.270 0.851 0 50 CCAA N[C@@H]1CN(C(=O)c2ccc3ncn(C4CC4)c3c2)C[C@H]1N 1875318949 NEHQPHTZQAQPHM-VXGBXAGGSA-N 285.351 0.482 0 50 CCAA O=C(Cc1nc[nH]n1)N1CC[C@@]2(c3cccnc3)C[C@H]2C1 1875329081 CYVXYASAHZWBQZ-WFASDCNBSA-N 283.335 0.932 0 50 CCAA CC(C)(C)c1noc(=O)n1CC(=O)NC[C@H]1CCCO1 1875391615 JNPMOFWYNVNJSR-SECBINFHSA-N 283.328 0.429 0 50 CCAA Cc1cnccc1N1CCCN(C(=O)[C@H]2C=CCN2)CC1 952985533 HWEOFRYYFYSPOV-CQSZACIVSA-N 286.379 0.957 0 50 CCAA COCC(C)(C)C(=O)NS(=O)(=O)Cc1ccon1 166817633 XUYLRMFHMOEGND-UHFFFAOYSA-N 276.314 0.293 0 50 CCAA O=C1CC[C@@H]2CN(c3nccn(C(F)F)c3=O)CC[C@@H]2N1 1773101508 BNKXWKZJVMUGRE-BDAKNGLRSA-N 298.293 0.743 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)C1 245227738 MUDIFKFPMJRUPI-LZQZFOIKSA-N 265.309 0.899 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N(C)C)CN(C(=O)OC(C)(C)C)C1 1775998351 AICAQRTWXLTMAR-GHMZBOCLSA-N 285.388 0.920 0 50 CCAA O=C(Nc1cc(F)cc(F)c1F)N[C@H]1CNCC[C@@H]1O 1565508569 BARUUAOUVMCDBN-UWVGGRQHSA-N 289.257 0.948 0 50 CCAA CO[C@H]1CNC[C@H]1NC(=O)c1cc(C(C)C)nn1C 170051441 XSSYGMKIARTHCZ-PWSUYJOCSA-N 266.345 0.260 0 50 CCAA CCc1nc(CN2CCN(C(=O)c3ccc[nH]3)CC2)no1 171820787 MTBQSORNZPQVHW-UHFFFAOYSA-N 289.339 0.918 0 50 CCAA c1cc2n(n1)C[C@H](CN1CCO[C@H]([C@@H]3CCCO3)C1)CN2 684195451 AITGLWHMEIHVSN-IHRRRGAJSA-N 292.383 0.805 0 50 CCAA C[C@@H]1[C@H](C(=O)N2CC[C@@H](S(C)(=O)=O)C2)C1(F)F 407965360 LVGKZNBEXZZZFT-BWZBUEFSSA-N 267.297 0.533 0 50 CCAA CCCc1nc(=NC(=O)N2CCOCC2)s[nH]1 408010915 RRQUCLKTEWDFDG-UHFFFAOYSA-N 256.331 0.777 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C)C(=O)C1 190818395 AIDWAEOVIJAMBE-WDEREUQCSA-N 254.330 0.492 0 50 CCAA C[C@@H](CN(C)CCc1nccn1C)N1CCOCC1 1506413050 GPAMBWKNWZHQGG-ZDUSSCGKSA-N 266.389 0.615 0 50 CCAA O=C(CCc1cn[nH]c1)NC[C@@H]1CC2(CCNCC2)CO1 1506429703 UAUMEXXOFTVIPL-ZDUSSCGKSA-N 292.383 0.617 0 50 CCAA COc1nccc(C(=O)N2CC(O)(C(F)(F)F)C2)n1 902900260 DFRSBNUAZHNGAK-UHFFFAOYSA-N 277.202 0.234 0 50 CCAA Cc1ccn2c(NC(=O)c3cc4ncccn4n3)nnc2n1 1529093966 CRXLNYIXUUJECE-UHFFFAOYSA-N 294.278 0.728 0 50 CCAA COc1ccc(C(=O)N[C@H]2CC[C@H](N)C2)c(OC)n1 215006366 YEPALCDWZVAKNH-IUCAKERBSA-N 265.313 0.708 0 50 CCAA CN(C(=O)Cn1cccc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704328345 MIBJRCPAAMUICT-FRRDWIJNSA-N 275.352 0.861 0 50 CCAA CO[C@H]1CCNC[C@H]1NC(=O)CCN1CCCCCC1=O 1615697275 KLAZMRYIQFWPQN-OLZOCXBDSA-N 297.399 0.272 0 50 CCAA Cc1ncn(C)c1-c1ncnn1[C@H]1CCS(=O)(=O)C1 1857732074 AYVZXEZUSCEGHI-VIFPVBQESA-N 281.341 0.347 0 50 CCAA COc1cc(-c2nn[nH]n2)ccc1OCC(=O)O 5526672 QVDZHBYMLDBPKU-UHFFFAOYSA-N 250.214 0.339 0 50 CCAA COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccco1 13124542 NWLADGLMUJKWIT-VIFPVBQESA-N 261.241 0.728 0 50 CCAA Cc1cc(C(=O)NCC(=O)Nc2ccn(C)n2)cc(C)n1 1650196587 NZTHUMNJNGDSNA-UHFFFAOYSA-N 287.323 0.800 0 50 CCAA Cc1cocc1C(=O)N1CCO[C@H](Cn2ccnn2)C1 636213831 RGBZHZTZEKMBIW-NSHDSACASA-N 276.296 0.721 0 50 CCAA Cc1c(C(=O)N2CCC[C@H](n3ccnn3)C2)cnn1C 331839056 OZWWBMPVJIFUJE-NSHDSACASA-N 274.328 0.797 0 50 CCAA COc1ncc(NC(=O)[C@@H]2CCC[C@H](N)C2)cc1C(N)=O 262264221 HBRIDTBIPNIQJW-BDAKNGLRSA-N 292.339 0.645 0 50 CCAA CCN1[C@@H](C)CN(S(=O)(=O)c2ccnn2C)C[C@H]1C 585139384 REHLRJRXKKNCPC-PHIMTYICSA-N 286.401 0.523 0 50 CCAA O=C1NCCC[C@@H]1N1C(=O)c2cccc(O)c2C1=O 1857783068 MMQQNUSEXIFCQZ-QMMMGPOBSA-N 260.249 0.267 0 50 CCAA O=C1C[C@@H](Nc2ccc(N3CCOCC3)cc2)C(=O)N1 100640128 SUSPBDYVPOSFLU-GFCCVEGCSA-N 275.308 0.350 0 50 CCAA OCC(CO)(CO)NCc1ccc(OC(F)(F)F)cc1 236497063 YZWXHHDKPNURKB-UHFFFAOYSA-N 295.257 0.391 0 50 CCAA COc1ccccc1CNCC1(O)CCS(=O)(=O)CC1 330537723 QHKMBBJLDJFBPV-UHFFFAOYSA-N 299.392 0.725 0 50 CCAA COc1ncc(CN2CCCC[C@@H]2C(=O)O)cn1 824852034 OLACBUVCWWGOKX-SNVBAGLBSA-N 251.286 0.924 0 50 CCAA COc1nc(C(=O)Nc2cccn3nc(C)nc23)nn1C 2100540370 IWROJWOSTYVEAO-UHFFFAOYSA-N 287.283 0.427 0 50 CCAA CCN=c1[nH]cc(C(=O)NC2(C(=O)O)CC(OC)C2)s1 2325827441 GEZYOGNFNHQPRP-UHFFFAOYSA-N 299.352 0.359 0 50 CCAA O=C(Cc1cnn2ccccc12)Nc1nnnn1C1CC1 905848340 XWBAKYHFBWCSPY-UHFFFAOYSA-N 283.295 0.837 0 50 CCAA CNC(=O)CCN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 245343852 WBFWSECKUOYFCO-SDDRHHMPSA-N 256.346 0.391 0 50 CCAA O=C1NC(=O)C(Br)(Cc2ccccc2)C(=O)N1 1233268 DAWNOTOEYBYDHF-UHFFFAOYSA-N 297.108 0.729 0 50 CCAA C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O 4070920 GUCRCHWPRACULN-SSDOTTSWSA-N 287.293 0.209 0 50 CCAA CC[C@@H]1CCCN(C(=O)NCCN2C(=O)CCC2=O)C1 113976174 QAWGQOAYZIISHR-LLVKDONJSA-N 281.356 0.967 0 50 CCAA CNC(=O)[C@H](C)N(C)C(=O)Cc1sc(C)nc1C 67759065 ZIHCZYIIGNTNEE-QMMMGPOBSA-N 269.370 0.895 0 50 CCAA C[C@H](CO)CN(Cc1ccccc1)C(=O)CS(C)(=O)=O 63857093 GEUKJERLZAOADQ-LBPRGKRZSA-N 299.392 0.688 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(Cc2ccccc2-n2cncn2)C1 65491614 IQMGYSKDRBFRJG-LLVKDONJSA-N 286.291 0.700 0 50 CCAA COCCCNC(=O)CN1CCC[C@H]1[C@@H](O)C(F)(F)F 229639631 QWSYGSRHQHSUCU-GXSJLCMTSA-N 298.305 0.527 0 50 CCAA Cc1ccc([C@H](CC(=O)O)NS(=O)(=O)N(C)C)cc1 328590506 IPNDKHTWMGOWGC-NSHDSACASA-N 286.353 0.907 0 50 CCAA CCN1CCO[C@H](C(=O)Nc2cnccc2CO)C1 367289015 YUVBZRWFCQKXJV-LBPRGKRZSA-N 265.313 0.233 0 50 CCAA CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C(=O)O 123839096 YEPWIFMQOBSBOX-XKSSXDPKSA-N 256.302 0.128 0 50 CCAA CCn1nc(C)c(CCC(=O)Nc2nnn[nH]2)c1C 218217093 FJBCTJIWVZXNJK-UHFFFAOYSA-N 263.305 0.604 0 50 CCAA CN(C)C/C=C/C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 374878032 NBUQFVRWEUBYQO-YILIYONBSA-N 265.357 0.374 0 50 CCAA NC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 72122426 HTFQUADMYCVTQN-SNVBAGLBSA-N 283.278 0.141 0 50 CCAA O=C(NC[C@@H](O)c1ccc(Cl)cc1)[C@H]1COCCN1 262635120 OACFSOHMEVXXCR-VXGBXAGGSA-N 284.743 0.478 0 50 CCAA COc1ccc(CCN2C[C@@H](OC)C[C@H]2C(N)=O)cc1 284651398 NGRMAGGMMDRBOC-KBPBESRZSA-N 278.352 0.812 0 50 CCAA Cc1ccccc1C(=O)N1CCO[C@@]2(CNCCOC2)C1 72125522 XHZGIJLZLQIGON-INIZCTEOSA-N 290.363 0.826 0 50 CCAA CCN1CCC[C@@H](c2nccn2CCc2n[nH]c(=O)[nH]2)C1 72121634 PXNFSZANGNZHMK-LLVKDONJSA-N 290.371 0.737 0 50 CCAA CCCc1ncncc1C(=O)N[C@@H]1COCC[C@H]1O 222557099 DVHXMVJUEUVJOE-VXGBXAGGSA-N 265.313 0.309 0 50 CCAA Cc1nc(CCC(=O)N[C@H](C(=O)O)C2CC2)n[nH]1 426405070 AZPQEFQTCGJRKR-JTQLQIEISA-N 252.274 0.025 0 50 CCAA CSC[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)O 426595072 RYVKBDVOSVEAHU-VIFPVBQESA-N 297.332 0.890 0 50 CCAA CC(=O)N[C@H]1CCN(C(=O)C2CN(C3CCCCC3)C2)C1 333326763 AHMSIXVUROOLSJ-AWEZNQCLSA-N 293.411 0.988 0 50 CCAA CCCN1CCC(CNC(=O)Cn2ccnn2)CC1 426424211 HSLZLCFAMOSGNJ-UHFFFAOYSA-N 265.361 0.516 0 50 CCAA Cc1cc(C)c2c(NC[C@H](O)CN(C)C)ncnc2n1 95353932 DCJXJDUIMYDOGS-NSHDSACASA-N 275.356 0.976 0 50 CCAA O=C(NCc1cnn2cccnc12)[C@@H]1CC(=O)N(C2CC2)C1 91676888 GHOVTZUBMLCFHW-SNVBAGLBSA-N 299.334 0.356 0 50 CCAA O=C1[C@@H]2[C@@H](O)[C@@H]3C(=O)[C@H]4[C@H]5[C@@H]6[C@H]([C@H]1[C@H]1C=C[C@@H]4[C@H]61)[C@@H]2[C@@H]53 247703732 BUXVXPFIGQLURW-QNWSSUSHSA-N 268.312 0.531 0 50 CCAA CCCNC(=O)C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O 242728125 YUFNKAVMIWFHIX-MXWKQRLJSA-N 253.346 0.302 0 50 CCAA CN(C[C@H]1CCCNC1)C(=O)c1cnc(N)s1 534671726 LRLMROQFEIUDDG-QMMMGPOBSA-N 254.359 0.797 0 50 CCAA Cc1n[nH]nc1C(=O)NCC1CCN(C(=O)C2CC2)CC1 299800338 VSRCKPYOXZHYMV-UHFFFAOYSA-N 291.355 0.492 0 50 CCAA Cc1nonc1CN1CCN(C(=O)c2ccoc2)CC1 299796258 QHRHHBJYVCXSSZ-UHFFFAOYSA-N 276.296 0.929 0 50 CCAA OC1CCN(CCCN=c2cc[nH]cc2F)CC1 641302697 NPMGWZUSYSYNKV-UHFFFAOYSA-N 253.321 0.901 0 50 CCAA O=C1COc2ccc(C(=O)N3CCc4nc[nH]c4C3)cc2N1 646259367 YQIGOSGTRYZAHF-UHFFFAOYSA-N 298.302 0.939 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)NCc1nonc1C 584886053 FYYDXODONKMFLD-VIFPVBQESA-N 286.357 0.252 0 50 CCAA CC1(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)COC1 1550811376 QHSLZXHCAARLTN-CYBMUJFWSA-N 287.381 0.450 0 50 CCAA O=C1C[C@H](CNC(=O)c2cc(O)nc(C3CC3)n2)CCN1 1875332703 FXWJLDAKPVCWGM-MRVPVSSYSA-N 290.323 0.316 0 50 CCAA COCCN1CCC(=O)N[C@@H](CC(C)(C)C)C1=O 1875311013 JMZFWCHJGUVZII-JTQLQIEISA-N 256.346 0.786 0 50 CCAA CN[C@@H](CC(C)(C)C)C(=O)NS(=O)(=O)[C@@H](C)COC 1875291118 NYARPRMJBXPTOF-UWVGGRQHSA-N 294.417 0.492 0 50 CCAA O=S(=O)(c1ccc2c(c1)OCO2)N1C[C@@H](O)[C@H](F)C1 1875297819 DYQCJOHKZOTOKJ-RKDXNWHRSA-N 289.284 0.119 0 50 CCAA C[C@H](CO)CNC(=O)Nc1ncc2c(n1)C(C)(C)OC2 1875289336 JFZXEPOYCNUCBY-QMMMGPOBSA-N 280.328 0.992 0 50 CCAA OC[C@H]1CCN(Cc2nc(O)c3sccc3n2)C[C@H]1O 1421760838 DTNZWJCIMFLWJZ-PSASIEDQSA-N 295.364 0.572 0 50 CCAA COc1cccnc1CNC(=O)NC[C@@H]1CCOC1 1527587398 VTQYLTMEYHYPGZ-JTQLQIEISA-N 265.313 0.926 0 50 CCAA Cc1ccc(-c2nnc3n2CCS(=O)(=O)CC3)o1 630950603 DMYYIBUUODRNQU-UHFFFAOYSA-N 267.310 0.817 0 50 CCAA Cc1cc(C)nc(N[C@H]2CCCCN(CC(=O)O)C2=O)n1 1594305849 JTVMAOZZAGHZJO-NSHDSACASA-N 292.339 0.971 0 50 CCAA Cn1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)nn1 302703112 WGCQDMRCCXWDIU-VIFPVBQESA-N 266.301 0.532 0 50 CCAA C[C@H](CN)N(C)S(=O)(=O)Cc1ccc(Cl)nc1 170684809 LTEJLEWBZFEAIP-MRVPVSSYSA-N 277.777 0.844 0 50 CCAA CCN1CCN(C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1=O 408399811 LEAXSAXNHDTELQ-NSHDSACASA-N 288.413 0.364 0 50 CCAA CN(C)c1ccc([C@@H]2CCCN2C(=O)CO)nn1 643907157 QKSMSKYVQMHGDC-JTQLQIEISA-N 250.302 0.198 0 50 CCAA C[C@H](N)[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1 195542213 PHPPCKGHEXQWDO-GWCFXTLKSA-N 266.316 0.943 0 50 CCAA CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC1CC(OC)C1 656857750 QZQVFOCBFVVKLW-UFDFEIGVSA-N 292.383 0.990 0 50 CCAA O=C(N[C@]1(CCO)CCOC1)c1cc(O)nc(C2CC2)n1 578452030 XEGGERLBAPYDBV-CQSZACIVSA-N 293.323 0.331 0 50 CCAA COc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)ncn1 681229599 OJBURJUDLWUSIO-RYUDHWBXSA-N 278.356 0.521 0 50 CCAA CNC(=O)c1cccnc1N(C)CCCN1CCOCC1 1529139860 WMWSHJIRHPWZGD-UHFFFAOYSA-N 292.383 0.600 0 50 CCAA CN1CC[C@](C)(CN(C)CC(=O)N2CCOCC2)C1 1529179969 HEBFDXMLLWYVDW-AWEZNQCLSA-N 269.389 0.119 0 50 CCAA Cn1nc(C(=O)NCc2nc3ncccc3o2)nc1Cl 1857687268 NQGQXZGGDRWTIV-UHFFFAOYSA-N 292.686 0.935 0 50 CCAA Cc1nc(C)c(CNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)s1 1857712726 OAAAJWWZBRWVGV-HBNTYKKESA-N 283.397 0.864 0 50 CCAA CO[C@@H]1C[C@H](C(=O)N(C)Cc2cnn(C)c2C)CC[C@@H]1O 1704312663 HNIHWHDLBHHDGW-KWCYVHTRSA-N 295.383 0.863 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCC2(CC1)C[C@](C)(O)CCO2 1704297138 IMHBWGWTCNYEIV-CYBMUJFWSA-N 294.355 0.649 0 50 CCAA CCc1ncncc1C(=O)N[C@@H]1CCC(=O)N(C)C1 606312896 OAOCBXWEXOBUGL-SECBINFHSA-N 262.313 0.390 0 50 CCAA Cn1ccnc1COCC(=O)N[C@@]12CCC[C@H]1NCC2 1615547011 MVTBCSKFMMGFPT-BXUZGUMPSA-N 278.356 0.338 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cnc(C)nc1 643763240 XCPDTUZEAPEWQU-ZDUSSCGKSA-N 264.329 0.251 0 50 CCAA COC1(CC(=O)N2CC[C@@H](CC(N)=O)C2)CCC1 377188494 DZXSRPYOAYWBRF-JTQLQIEISA-N 254.330 0.670 0 50 CCAA O=C(NC1CCN(C2CCOCC2)CC1)c1cn[nH]c1 216180295 YSCDQEOWFFAWQW-UHFFFAOYSA-N 278.356 0.783 0 50 CCAA O=C1C[C@@H](N2CCOCC2)C(=O)N1Cc1ccccc1 19879743 CONRTCKJBYUDAD-CYBMUJFWSA-N 274.320 0.646 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N2CCNC[C@H]2C)C1 163610954 OORYSZQYRLEKRE-WDEREUQCSA-N 261.391 0.257 0 50 CCAA CCc1nc(CN(C)c2ccc(C(=O)N(C)C)nn2)no1 1857681125 YUFWUQFAJPTSAO-UHFFFAOYSA-N 290.327 0.760 0 50 CCAA COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(N)=O)c1 71702 KPRFTRSEJHOVCI-GFCCVEGCSA-N 291.307 0.817 0 50 CCAA COCc1ccc(CN2CCC[C@](O)(CC(N)=O)C2)o1 643746223 GKOFFANNXRXEII-AWEZNQCLSA-N 282.340 0.628 0 50 CCAA NC(=O)[C@]1(O)CCN(C(=O)[C@@H]2CCCc3ccccc32)C1 240902809 IVMQOWDZXIUNAT-CJNGLKHVSA-N 288.347 0.555 0 50 CCAA O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)N1CCCC1 681505660 NMYPWZNSPVTKLM-SNVBAGLBSA-N 298.368 0.870 0 50 CCAA O=C(O)[C@H]1c2ccccc2OCCN1CCn1cncn1 903929320 WSZUSISGLJYWAH-CYBMUJFWSA-N 288.307 0.798 0 50 CCAA CC(C)(C)NC(=O)CNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1 121895847 UVMZPSDMJRHNMN-VHSXEESVSA-N 284.356 0.908 0 50 CCAA O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(c2ccn[nH]2)CC1 125592952 HGSIKDNYDYXYEL-LLVKDONJSA-N 297.380 0.550 0 50 CCAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H](N)C1 269120837 SKNHWRBXFIOOBT-LLVKDONJSA-N 296.392 0.962 0 50 CCAA Cc1cc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c(C)o1 285575055 QCMRMWNSFPHXHP-CYBMUJFWSA-N 266.297 0.349 0 50 CCAA NCC[C@H](NC(=O)[C@@H]1CCc2nccn2C1)C(F)(F)F 655464710 GABGFFVYNCSLDY-BDAKNGLRSA-N 290.289 0.841 0 50 CCAA CC(=O)c1cnc(N2CC[C@H](O)[C@H](C(=O)O)C2)nc1C 2100557185 PAKHOQWZCWLHCO-MNOVXSKESA-N 279.296 0.259 0 50 CCAA CNC(=O)C1(C(=O)n2[nH]c(=N)c3cc(F)ccc32)CC1 2325839431 SWABDLCEKAACIG-UHFFFAOYSA-N 276.271 0.754 0 50 CCAA CC(=O)OC(OC(C)=O)c1ccc(S(N)(=O)=O)cc1 312392 VYHXGBXXUYPTDZ-UHFFFAOYSA-N 287.293 0.459 0 50 CCAA CO[C@@H](C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 112033768 LCMLWGPJACJMOE-NKWVEPMBSA-N 268.235 0.301 0 50 CCAA Cn1c(C=O)nc2c(N3CCOCC3)nc(Cl)nc21 115266499 SUTRBEZVZHHHIW-UHFFFAOYSA-N 281.703 0.666 0 50 CCAA COCC1(S(=O)(=O)N2CCc3cnccc32)CC1 329371780 AYZBENWUESCBLX-UHFFFAOYSA-N 268.338 0.953 0 50 CCAA CCc1nn(C)cc1NC(=O)c1cccn(C)c1=O 330376760 DQLIOQHTGCYIFD-UHFFFAOYSA-N 260.297 0.934 0 50 CCAA C[C@@](O)(CC(=O)N1CC(n2ccnn2)C1)C1CC1 374785732 WUVVXXYPRDNPPX-GFCCVEGCSA-N 250.302 0.213 0 50 CCAA COCC(=O)N1CCCN(Cc2cncn2C)CC1 215622618 ATJHTKPZCOJVII-UHFFFAOYSA-N 266.345 0.101 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)[C@H]1CNCCO1 43798970 WKGCRTWVFVOOIV-LLVKDONJSA-N 253.302 0.238 0 50 CCAA O=C1O[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 227123116 CQYVSKAFZIKDOR-WDEREUQCSA-N 267.306 0.804 0 50 CCAA CC(C)c1cc(=O)n(C[C@H](O)CN(C)C2CC2)cn1 290524025 CSBUEKVFXZXVDH-GFCCVEGCSA-N 265.357 0.822 0 50 CCAA Cc1nn(C)c(C)c1CN1CCN(C)[C@H](CCO)C1 43058618 JFNOURWRQXSYJK-CYBMUJFWSA-N 266.389 0.535 0 50 CCAA Cc1nc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(=O)[nH]1 82166647 XNPHWGCBAUWOMS-ZDUSSCGKSA-N 291.351 0.963 0 50 CCAA COc1csc(C(=O)N2CCO[C@@H](C(=O)O)C2)c1 161383237 DUUXSPJGUFWLQA-MRVPVSSYSA-N 271.294 0.682 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 239439034 ZIXZUJGRFYPACJ-FDKVEUBTSA-N 279.292 0.032 0 50 CCAA biogenic Cc1nnc(CCNC(=O)C[C@H]2CCOC2)s1 426545149 QRKJXKPUNPBBDW-SECBINFHSA-N 255.343 0.932 0 50 CCAA O=C1CC[C@@H](C(=O)NCCc2ccc(O)cc2)NC(=O)N1 97527983 YDDYAANQDHJVOT-NSHDSACASA-N 291.307 0.039 0 50 CCAA Cc1cc(NC(=O)N(C)CC2(CO)CCOCC2)n(C)n1 96140210 KCCIETHXDGEMFB-UHFFFAOYSA-N 296.371 0.981 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1c1cc(C2CC2)ncn1 91305905 QOULASIIYXXUIC-KOLCDFICSA-N 261.329 0.006 0 50 CCAA C[C@@H](N)C(=O)N1CCN(c2ncccc2Cl)CC1 237452857 XXVCVQDGSWJLMP-SECBINFHSA-N 268.748 0.731 0 50 CCAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1nccn1C)C2 95352742 KDAXSAZJDVNFHV-CHWSQXEVSA-N 291.399 0.998 0 50 CCAA Cc1cc(NCCS(=O)(=O)CC(C)C)nc(N)n1 91644835 KRSDZXTUYCQUMZ-UHFFFAOYSA-N 272.374 0.850 0 50 CCAA C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@H](C)C(=O)O 299751897 SGFDBDXBIHZALF-KXUCPTDWSA-N 259.302 0.550 0 50 CCAA CC[C@H](CNC(=O)Cc1cc(C)no1)N1CCOCC1 534654411 MJRCWZYLVGZRJT-GFCCVEGCSA-N 281.356 0.753 0 50 CCAA COCCN1CC[C@@H](CN(C)C(=O)c2csnc2N)C1 299802842 RBTILJLQGRMHJF-JTQLQIEISA-N 298.412 0.766 0 50 CCAA CCn1c(C)ccc(C(=O)NCC2(C)COC2)c1=O 299763242 ZHBHGKLRLDXXLQ-UHFFFAOYSA-N 264.325 0.943 0 50 CCAA COC[C@H]1CCCN1S(=O)(=O)NCCC(C)(C)OC 824370987 IVAFETNBRRWNBL-LLVKDONJSA-N 294.417 0.747 0 50 CCAA Cc1nonc1CC(=O)NCCCc1csc(N)n1 827856024 ARBHOYOHJZSFRM-UHFFFAOYSA-N 281.341 0.708 0 50 CCAA O=C(CN1CCC[C@H](O)C1)N1CCN(CC2CCC2)CC1 584900995 NDDOPDKLUOQPRM-HNNXBMFYSA-N 295.427 0.387 0 50 CCAA CCn1ccc(C(=O)N[C@H]2CCC(=O)N(C)C2)cc1=O 584898097 ZGHWMEDAPBCNHB-NSHDSACASA-N 277.324 0.219 0 50 CCAA CN(CC1(C)COC1)C(=O)CCc1nncn1C 584904084 MIJXEAFIHGCWHO-UHFFFAOYSA-N 252.318 0.243 0 50 CCAA CCc1cn(CC(=O)N(C)Cc2cnn(C)c2)cn1 1166822901 OOVMRGVYYQBEJP-UHFFFAOYSA-N 261.329 0.838 0 50 CCAA O=C(NCCN1CCNC1=O)[C@H]1CCc2ccccc2O1 894572963 PQLMWLGZTLPYMS-CYBMUJFWSA-N 289.335 0.522 0 50 CCAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1nc(C)c(C)s1 684451778 IXONERQPXMJJBP-GHMZBOCLSA-N 297.380 0.358 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1ncn(C)n1 276964212 DPMWMFRJNQJURS-ZJUUUORDSA-N 252.318 0.637 0 50 CCAA CC(C)n1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)n1 408516514 AVYFJZVFOKJAPE-NSHDSACASA-N 295.387 0.260 0 50 CCAA COC(=O)[C@H](C)SCCN1C(=O)NC(C)(C)C1=O 169934573 GRXKGJLDPMRDRX-ZETCQYMHSA-N 274.342 0.612 0 50 CCAA C/C=C/C[C@H](NC(=O)[C@H]1CCNC(=O)C1)C(=O)OCC 170081425 QRVWJIZMWCMFEY-UTSBZEJYSA-N 282.340 0.527 0 50 CCAA Cc1ccn(CC(=O)N2CCn3cnnc3[C@@H]2C)c(=O)c1 278357593 PMXBPXHQMWUNGW-NSHDSACASA-N 287.323 0.352 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cc(C)no1 643822045 KCEUMVZYXHCQOF-GFCCVEGCSA-N 253.302 0.449 0 50 CCAA O=C(NCc1nc(CN2CCCCC2)no1)c1cnc[nH]1 646105522 VDFKJSLPPOUOLI-UHFFFAOYSA-N 290.327 0.709 0 50 CCAA O=C(NCCCN1CCCC1=O)c1ccc(O)nc1 193122484 XJJXVQSUTJKEAG-UHFFFAOYSA-N 263.297 0.530 0 50 CCAA CN(C1CC1)S(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)O 663289564 LAEYAKNRGODJKR-SECBINFHSA-N 274.342 0.265 0 50 CCAA CC(C)(NC(=O)Cn1ccnc1)c1nnc2n1CCCC2 583698896 SYQOSFWXPQIQOA-UHFFFAOYSA-N 288.355 0.862 0 50 CCAA O=C(NCCO)NCc1ccncc1OCC(F)(F)F 242191275 XEGIOGCNJRPKOS-UHFFFAOYSA-N 293.245 0.814 0 50 CCAA CC1=C(C(=O)N[C@H]2CCCC[C@@H]2O)S(=O)(=O)CCO1 242183886 XCTAPMSDRPHFPY-UWVGGRQHSA-N 289.353 0.083 0 50 CCAA Cc1nc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)n(C)c1C 1704306648 XIVMJTILWCXUGU-OKILXGFUSA-N 293.323 0.398 0 50 CCAA COCC1(S(=O)(=O)N[C@H]2CCCC[C@H]2O)CC1 253428981 MEARBCSASSCVDP-VHSXEESVSA-N 263.359 0.388 0 50 CCAA COc1cccc(Cn2nnnc2N2CCCOCC2)c1 1616034172 XYDDJWUFABOUJJ-UHFFFAOYSA-N 289.339 0.957 0 50 CCAA CS(=O)(=O)N1CC(CN2CC3(C2)CC(F)(F)C3)C1 930125458 GKMXWHOJRRBHEW-UHFFFAOYSA-N 280.340 0.609 0 50 CCAA C=CC(=O)NCCC(=O)N1CC[S@@](=O)C(C)(C)CC1 1624190438 QYDFCFBMIUCNOI-LJQANCHMSA-N 286.397 0.438 0 50 CCAA COCC(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 11949481 IPFZDHCTMIOIRW-GFCCVEGCSA-N 280.299 0.689 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2ccnc(O)c2)C[C@@H]1O 1875243819 YWUDHYTWTPLIKR-SWLSCSKDSA-N 294.351 0.773 0 50 CCAA O=C(CCn1cnc2ccccc21)N[C@H]1CCOC[C@@H]1O 629224022 ZCVRTNHZAHKQTH-JSGCOSHPSA-N 289.335 0.692 0 50 CCAA O=C(O)[C@H]1c2ccccc2OCCN1S(=O)(=O)C1CC1 903516231 XPQMZQDWXDPZEN-GFCCVEGCSA-N 297.332 0.999 0 50 CCAA CC1(C)C(C)(C)C1(C)C(=O)NCc1nc(CO)n[nH]1 826960591 RUGMWOHJOMMKGH-UHFFFAOYSA-N 266.345 0.986 0 50 CCAA C[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1ccns1 926774458 ONCPBPBXPNDIJV-MRVPVSSYSA-N 290.414 0.284 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC1CCCC1 225696265 CYEWXIMQAJUNGL-CHWFTXMASA-N 251.282 0.699 0 50 CCAA O=C1CCCN1C1CCN(CCn2ccnc2)CC1 161663539 OXADBKKVUAXMNH-UHFFFAOYSA-N 262.357 0.970 0 50 CCAA O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cccnn1 701815131 QDWQGGHCKGOOCQ-STQMWFEESA-N 255.277 0.865 0 50 CCAA Cc1cn(C)nc1C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 907945942 GCIOCCXDZHETPN-XWLWVQCSSA-N 277.324 0.958 0 50 CCAA CC(CO)(CO)CNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 393882365 RURCGJSOCXWNNX-SDDRHHMPSA-N 255.358 0.920 0 50 CCAA C1CCN(Cc2nc([C@@H]3COCCN3)no2)CC1 1875274002 UPGUSOGZUGAJKB-JTQLQIEISA-N 252.318 0.716 0 50 CCAA CN1C[C@]2(C)CN(C(=O)[C@H]3C4CCN3CC4)C[C@@]2(C)C1 2325811287 LMHVZIXYOZHYAO-FVQBIDKESA-N 277.412 0.881 0 50 CCAA Cn1nnc2cc(NC(=O)N3CCOCC3)ccc21 471120 RZIVMCKBQJGYRT-UHFFFAOYSA-N 261.285 0.832 0 50 CCAA CCNc1nc(SCC(=O)OC)nc(N(C)C)n1 804334 IBRDFEXJDYUPBI-UHFFFAOYSA-N 271.346 0.635 0 50 CCAA COc1ccccc1NC(=O)C(=O)N1CCOCC1 2918179 QIBMIALMTMHIEI-UHFFFAOYSA-N 264.281 0.493 0 50 CCAA COCC1(C(=O)NCCn2c(C)cc(C)nc2=O)CCC1 65371160 VKTAFDUMOWNIPM-UHFFFAOYSA-N 293.367 0.793 0 50 CCAA O=C(Cc1ccccn1)NC[C@H]1CC(=O)N(C2CC2)C1 67472927 PRYLJFUSXXVOLS-LLVKDONJSA-N 273.336 0.751 0 50 CCAA O=C(NCCNCCO)c1nc2ccccc2s1 22500793 IQKNKRNASARYSO-UHFFFAOYSA-N 265.338 0.608 0 50 CCAA CCOC[C@@H](O)CNc1nccc(-c2cnn(C)c2)n1 23506098 XIHXZQSLWPFKFG-NSHDSACASA-N 277.328 0.686 0 50 CCAA C[C@@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)CCN1 155247973 VUNHETHZOUMMAW-LLVKDONJSA-N 291.351 0.375 0 50 CCAA COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)CF 25667871 MXOOUCRHWJYCAL-SSDOTTSWSA-N 263.265 0.981 0 50 CCAA CCN1CC[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 521878114 MWKOIQRFLOUTGC-LLVKDONJSA-N 262.357 0.901 0 50 CCAA O=C(NCCO)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 39447494 SWZSPMGSPLQTPB-LBPRGKRZSA-N 294.326 0.673 0 50 CCAA C[C@H]1CN(C(=O)N=c2cccn[nH]2)CC2(CCOCC2)O1 364046155 BCLVPGRXMIZNTO-NSHDSACASA-N 292.339 0.700 0 50 CCAA Cc1nc([C@@H]2CCCN(C(=O)Cc3nonc3C)C2)n[nH]1 215638793 UGAWXIYOYGEETC-SNVBAGLBSA-N 290.327 0.753 0 50 CCAA O=C(CN1CCCCC1=O)NOCc1cccnc1 155918139 BUHMHMUKMCPBHD-UHFFFAOYSA-N 263.297 0.642 0 50 CCAA COc1cccc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)c1F 284574864 KSIHXOFUYQJITD-WPRPVWTQSA-N 296.298 0.549 0 50 CCAA Cc1cnc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)[nH]1 215929054 OBINLRKRJDAKTE-ZJUUUORDSA-N 262.313 0.411 0 50 CCAA CCO[C@H]1C[C@@H](NC(=O)N2CCn3nc(C)nc3C2)C1 333906683 VIBMJGVZQSSBEJ-PHIMTYICSA-N 279.344 0.679 0 50 CCAA NC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 72122425 HTFQUADMYCVTQN-JTQLQIEISA-N 283.278 0.141 0 50 CCAA Cc1nc[nH]c1CSCCNC(=O)[C@@H]1CNCCO1 72153423 VOJCGOICAGATNY-NSHDSACASA-N 284.385 0.056 0 50 CCAA O=C(NC1[C@@H]2CNC[C@@H]12)N1CCCN(C2CCCC2)CC1 335302650 JQUVAKLHYXHILF-ZIAGYGMSSA-N 292.427 0.864 0 50 CCAA Cn1ncc(CCCNc2cccc(C(=O)O)n2)n1 263422459 PWDWFWWLZGRYJN-UHFFFAOYSA-N 261.285 0.953 0 50 CCAA CC(C)n1ccc(C(=O)NC[C@@H]2COCCN(C)C2)n1 426502823 BSGAPCCELCAEFS-LBPRGKRZSA-N 280.372 0.772 0 50 CCAA C[C@H]1CN(c2ccc(C(N)=O)cn2)C[C@@H](C)S1(=O)=O 290913722 WOLPEQJHEZBKRP-DTORHVGOSA-N 283.353 0.192 0 50 CCAA Cc1cccc(NC(=O)CN2CC[C@H](CO)[C@H](O)C2)c1 239352183 ABJOZQJWBNOZOH-TZMCWYRMSA-N 278.352 0.609 0 50 CCAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ncccc1O)CC2 91780815 YDIRJLYRLCGADM-NEPJUHHUSA-N 292.335 0.789 0 50 CCAA CCN(Cc1nccn1C)C(=O)[C@@H](C)Cn1cncn1 244884058 YEKJKCNSOPRAJF-NSHDSACASA-N 276.344 0.696 0 50 CCAA CC[C@H](NC(=O)c1ccn(C)n1)c1ncnn1CC 534580245 WNOGXVVSCBDMTH-VIFPVBQESA-N 262.317 0.913 0 50 CCAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)[C@H]1C=CCN1 534646645 JUTZDCKSSLQMJS-CYBMUJFWSA-N 292.383 0.311 0 50 CCAA CCCn1ncnc1[C@@H](C)NS(=O)(=O)C1CC1 534649956 AQLYNBMVYFUULU-MRVPVSSYSA-N 258.347 0.831 0 50 CCAA O=S(=O)(NCC1(Cn2ccnc2)CC1)N1CCCC1 534651101 ZEMCNFHSVDCWRY-UHFFFAOYSA-N 284.385 0.594 0 50 CCAA COC[C@@H](NC(=O)Nc1cnns1)c1ccnn1C 299763129 PBQZIVMWRUXCRL-SSDOTTSWSA-N 282.329 0.781 0 50 CCAA NCCCOc1ccc(C(=O)N2CC(O)C2)cc1Cl 299775908 LHHCBMCCMHTJBA-UHFFFAOYSA-N 284.743 0.884 0 50 CCAA O=C([C@@H]1CNCCO1)N1CC(Oc2ccc(F)cc2)C1 299797585 RUNSWPDZWVOMRI-ZDUSSCGKSA-N 280.299 0.404 0 50 CCAA CNC(=O)C[C@H]1CCN(Cc2nnc(C)s2)C1 823821038 PQIZGAPZODJZAR-SECBINFHSA-N 254.359 0.805 0 50 CCAA Cn1c(O)nnc1CCNC(=O)COCc1ccccc1 584892610 ZHUHKDUEVSZVAL-UHFFFAOYSA-N 290.323 0.396 0 50 CCAA O=c1c2nccnc2ncn1CCN1CCCC[C@@H]1CO 584894971 NIWHBRKAMYJJEB-LLVKDONJSA-N 289.339 0.033 0 50 CCAA O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1C[C@@H]1C[C@H]2CC[C@@H]1O2 1875342755 GFPXXSKURRUXPO-NANYFGDISA-N 277.320 0.716 0 50 CCAA C[C@@H](C(=O)NS(C)(=O)=O)c1ccc2c(c1)C(=O)NC2 1875382552 GBCQRYLDBHBWKR-SSDOTTSWSA-N 282.321 0.109 0 50 CCAA CCCS(=O)(=O)N(CCN(C)C)C[C@H]1CCCO1 952976668 XMTWSBSJTDNUGF-GFCCVEGCSA-N 278.418 0.769 0 50 CCAA N=c1nc(O)cc([C@H]2CCN(C(=O)C3CC(F)(F)C3)C2)[nH]1 630724677 WLJDEQMSLXRTKX-ZETCQYMHSA-N 298.293 0.956 0 50 CCAA C[C@H](CO)CN[C@@H](C)c1cccc(S(N)(=O)=O)c1 86627977 CTKJGCBKFCDSKI-UWVGGRQHSA-N 272.370 0.613 0 50 CCAA CCCCN(C)S(=O)(=O)N1CC[C@@H](C(=O)O)C1 218278977 ZKTUSAPUUVNSCZ-SECBINFHSA-N 264.347 0.370 0 50 CCAA CNC(=O)N[C@H]1CCN(CC[C@@H]2CCCCO2)C1 408256502 LYYJDPDHPSOHSZ-RYUDHWBXSA-N 255.362 0.949 0 50 CCAA COCC[C@@H](C)NS(=O)(=O)c1c(N)noc1C 281201188 PFWVWVOMZOZZBK-ZCFIWIBFSA-N 263.319 0.269 0 50 CCAA CN1CCC[C@@H](CNC(=O)c2ccc3nncn3c2)C1 553009124 BKAWRDXCBLAWFZ-NSHDSACASA-N 273.340 0.801 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1c[nH]nc1C 643764885 HRPCGJRQKISCOI-ZDUSSCGKSA-N 266.345 0.445 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N[C@@H]1CNCC[C@@H]1C 193406429 FCBCVFWLGWWMKD-OIBJUYFYSA-N 273.358 0.568 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1CCO[C@@H](C(C)C)C1 657604336 LSKJRBCLEVZXJV-YVECIDJPSA-N 291.413 0.592 0 50 CCAA COCC[C@H](C)NCc1ccc(S(N)(=O)=O)s1 584907877 CNYKJIOIDYMVAU-QMMMGPOBSA-N 278.399 0.910 0 50 CCAA COCC(=O)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529120907 UALHIISDWNQOMG-VXGBXAGGSA-N 250.298 0.090 0 50 CCAA CC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2C(=O)N3)s1 1857716811 FPSYGRWDRMKPFE-YUMQZZPRSA-N 264.306 0.664 0 50 CCAA CNC(=O)c1cccnc1NCC1(O)CCN(C)CC1 1704343140 UBXNQQRSZYGCKC-UHFFFAOYSA-N 278.356 0.310 0 50 CCAA Cn1cccc1C(=O)N1CCOC[C@H]1CC(=O)O 128240955 VLRGKYXLBUNSNL-SECBINFHSA-N 252.270 0.341 0 50 CCAA Cc1nnc(CN(C)[C@@H]2CCN(C(C)(C)C)C2=O)n1C 1615045175 BMTSSZOOUAMDCP-LLVKDONJSA-N 279.388 0.955 0 50 CCAA Cc1nsnc1C(=O)N1CCN(C)C2(CCOCC2)C1 1775982215 MDBRXTFLCXLTLG-UHFFFAOYSA-N 296.396 0.783 0 50 CCAA O[C@H](CNc1ncnc2cc[nH]c12)CN1CCCC1 1772808974 HUHQKXJXTXYQIU-SNVBAGLBSA-N 261.329 0.827 0 50 CCAA Cc1cn2nnc(C(=O)Nc3nccs3)c2c(=O)[nH]1 206644239 GPGCMJLQTSVLDR-UHFFFAOYSA-N 276.281 0.435 0 50 CCAA COCCc1noc(CN2CCO[C@H]3C[C@H](CO)C[C@@H]32)n1 1857741219 JFMRFMDALDMKOP-WOPDTQHZSA-N 297.355 0.230 0 50 CCAA OC[C@H]1CCN(C2CCN(Cc3ccco3)CC2)C[C@H]1O 1875243644 QFQYVNULJRBIFJ-CZUORRHYSA-N 294.395 0.919 0 50 CCAA COC[C@]1(C(=O)O)CCCN1CC(=O)N1CCCCCC1 643879912 BWRGSFJRIFCZBL-HNNXBMFYSA-N 298.383 0.955 0 50 CCAA Cc1ccc(CC(=O)N2CCn3cnnc3C2)cc1O 332606907 DXNQNACFPUUJAZ-UHFFFAOYSA-N 272.308 0.877 0 50 CCAA COCCN1CCN(Cc2nnc3n2CCCC3)C[C@@H]1C 368682775 BAUVYFZNMUYVFG-ZDUSSCGKSA-N 293.415 0.767 0 50 CCAA CNC(=O)CC(=O)N1CCC[C@@H]1CNc1cccc(C)n1 372241107 MEYPQUCGSXNXLL-GFCCVEGCSA-N 290.367 0.929 0 50 CCAA CC(C)(CO)Cc1cn(C[C@@H]2CCC3(COC3)O2)nn1 900602993 FQZKPOZMIFHLFB-LBPRGKRZSA-N 281.356 0.787 0 50 CCAA CN(C)c1cc(N2C[C@@H]3COC[C@]3(C(=O)O)C2)ncn1 900962016 IWQWDHPDWLDCGS-NOZJJQNGSA-N 278.312 0.080 0 50 CCAA Cc1n[nH]cc1NC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 226394515 VFEPIDIOIQLIGC-KYXWUPHJSA-N 265.269 0.535 0 50 CCAA CC(=O)c1ccc(N2CCC(NS(C)(=O)=O)CC2)nc1 32558367 YFDPIUDDLJXWIE-UHFFFAOYSA-N 297.380 0.802 0 50 CCAA O=C(NCCc1c[nH]cn1)c1cnn2c1CCCC2 72152146 KDPQUYPRGPNUGF-UHFFFAOYSA-N 259.313 0.915 0 50 CCAA COCc1noc(CN[C@@H](C)Cn2ccnc2)n1 534659663 ORQPPOQQONWLLJ-VIFPVBQESA-N 251.290 0.591 0 50 CCAA NC(=O)N1CC[C@@H](NC(=O)c2cccc(C(=O)O)c2)C1 393170280 DZIUBXKZXQHSLY-SNVBAGLBSA-N 277.280 0.268 0 50 CCAA Cn1nccc1C(=O)NCCN1C(=O)OC(C)(C)[C@]1(C)O 140355 MAJUTAUHFUBTNP-ZDUSSCGKSA-N 296.327 0.089 0 50 CCAA CCCNC(=O)C(=O)NCc1ccccc1OC 2812083 BZDDBXQXONNDPK-UHFFFAOYSA-N 250.298 0.838 0 50 CCAA Cc1nsc(C(=O)NC[C@H]2CCN2C2CCOCC2)n1 902980799 SRLNMENPYMGYEB-LLVKDONJSA-N 296.396 0.830 0 50 CCAA Cc1cc(C)c2c(c1)[C@@](O)(N1CCOCC1)C(=O)N2 440573 HGFYELXKZPKSOD-AWEZNQCLSA-N 262.309 0.733 0 50 CCAA COC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 824363 DBGYURZBDGIZQU-UHFFFAOYSA-N 261.274 0.765 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](CCc1ccnc(N)n1)C(=O)O 2385546 NFYQHZXGAFFRGB-VIFPVBQESA-N 296.327 0.969 0 50 CCAA O=C(O)c1cccc(CN2CCO[C@H](C(=O)O)C2)c1 2356138740 GUVAKKKBPVGTSH-NSHDSACASA-N 265.265 0.670 0 50 CCAA NC(=O)c1c(NC(=O)NCCCO)sc2c1CCC2 6759219 CQSFGMCTDWAXNS-UHFFFAOYSA-N 283.353 0.840 0 50 CCAA CC(C)c1nnc2c(=N[C@@H](C)CC(=O)O)[nH]ccn12 416425679 JILLMARGVDUHTR-QMMMGPOBSA-N 263.301 0.945 0 50 CCAA CCNc1cc(C)nc(N2CCN(C(C)=O)CC2)n1 9620237 AQWCGXHXZIYIRC-UHFFFAOYSA-N 263.345 0.885 0 50 CCAA NC(=O)C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 67740000 ZTGPEHVOVMTDCX-JTQLQIEISA-N 279.315 0.249 0 50 CCAA COC(=O)Cc1cc(=O)n2c(nc3ccccc32)[nH]1 100096946 TYLZXQVJFHKJJB-UHFFFAOYSA-N 257.249 0.891 0 50 CCAA CN(C)C1(CNC(=O)c2ncccc2O)CCOCC1 113990811 KKSCXAHPNMQARJ-UHFFFAOYSA-N 279.340 0.628 0 50 CCAA COC(=O)[C@@H](N)Cc1cccc(S(C)(=O)=O)c1 114761339 GLWGFJCPJBRSCU-JTQLQIEISA-N 257.311 0.133 0 50 CCAA C[C@@H]1C[C@@H](CC(=O)NCC(=O)C(C)(C)C)NC(=S)N1 67723784 GZLIMDITRPYTRQ-BDAKNGLRSA-N 285.413 0.733 0 50 CCAA O=c1[nH]nc(CCCN2CCOCC2)n1C1CCCC1 65372284 BWFCBNNGVSJMLM-UHFFFAOYSA-N 280.372 0.951 0 50 CCAA NC(=O)c1ccnc(N2CCN3CCCC[C@H]3C2)c1 252477147 IYUITZAWZWAPED-LBPRGKRZSA-N 260.341 0.855 0 50 CCAA CC1(C(=O)N2CCN(Cc3cscn3)CC2)CNC1 423355827 PQXLJZLMSUNTKY-UHFFFAOYSA-N 280.397 0.397 0 50 CCAA C[C@@H](O)CN(C)C1CCN(C(=O)C2(C)COC2)CC1 331935134 ITGNITRAZHCVBY-LLVKDONJSA-N 270.373 0.327 0 50 CCAA Cc1c[nH]ccc1=NC(=O)N1CCOC[C@H]1c1nc[nH]n1 329005437 YRABMSRNNUNPDE-NSHDSACASA-N 288.311 0.535 0 50 CCAA CCS(=O)(=O)N(C)Cc1nc(C2(N)CCCC2)no1 261902997 YTRGNVUBJVPJRA-UHFFFAOYSA-N 288.373 0.579 0 50 CCAA C[C@H]1C[C@@H](NS(=O)(=O)c2cccnc2)CN1C1CC1 126203000 NAMRRCDMOSLVKT-WDEREUQCSA-N 281.381 0.985 0 50 CCAA CCS(=O)(=O)NCCCN1CC(F)(F)C[C@@H]1CO 372501883 FOKUYHAHTSYSDY-SECBINFHSA-N 286.344 0.018 0 50 CCAA O=C(CN1CCOC1=O)N1CCC2(CCNCC2)CC1 71771707 LUZQYWJNTYPFBK-UHFFFAOYSA-N 281.356 0.431 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCNCC2)cc1C 36117281 KVWMTCHRBNHJNG-UHFFFAOYSA-N 254.355 0.897 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H](N)C1 158397600 JNFYLCRNEWRMER-NSHDSACASA-N 266.345 0.365 0 50 CCAA Cc1nc([C@H](C)NC(=O)CCN2CCCC2)n[nH]1 216307780 FJQAAVDRTLJLNR-VIFPVBQESA-N 251.334 0.776 0 50 CCAA COCCc1noc([C@H](C)NC(=O)c2ccc(N)nc2)n1 219020388 UYCAVZFWICONIB-QMMMGPOBSA-N 291.311 0.727 0 50 CCAA Cc1nc(CN2CCc3nc[nH]c3[C@@H]2C(=O)O)co1 72421853 CUWNLSMWUVKGAP-LLVKDONJSA-N 262.269 0.890 0 50 CCAA Cc1cc(=O)[nH]cc1C(=O)N1CCCC[C@H]1C(=O)O 159885657 JEQIDIKPVALAOJ-JTQLQIEISA-N 264.281 0.763 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2nc(C)nc3c2CCCC3)C1 284526019 MDTOJPRSFQQCSB-GWCFXTLKSA-N 290.367 0.743 0 50 CCAA Cc1noc([C@H]2CN(Cc3ccnn3C)CCN2C)n1 285593189 UBDSDNBAKIVHPZ-GFCCVEGCSA-N 276.344 0.600 0 50 CCAA O=C(O)[C@@H]1C[S@](=O)C[C@H](c2cccc(F)c2)N1 227888494 FIVVTYBRRDQOSI-GPHJXTMHSA-N 257.286 0.672 0 50 CCAA Cc1cc(CC(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)on1 221411368 UCZUVQUKRWJAKM-CYBMUJFWSA-N 279.296 0.579 0 50 CCAA Cn1ccnc1CN=c1cc([C@@H]2CCOC2)nc(N)[nH]1 426498526 KJNHJZZLPVFHBK-SECBINFHSA-N 274.328 0.330 0 50 CCAA CCCc1cc(C(=O)NCCN2CCNC2=O)[nH]n1 91895980 JXQSMKPLUFQIBS-UHFFFAOYSA-N 265.317 0.117 0 50 CCAA Cc1nn(CC(=O)NCC(F)(F)F)c(=O)s1 192455292 XZKMCZYKJQIZGK-UHFFFAOYSA-N 255.221 0.292 0 50 CCAA Cc1nc(Cn2ncc(N3CCOCC3)cc2=O)co1 95362482 KZNDWQGSMMMUDE-UHFFFAOYSA-N 276.296 0.425 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)CCn2cnnc2)C1 91519447 WXGBFNDEDBYCKU-AWEZNQCLSA-N 296.371 0.306 0 50 CCAA O=C(NCCCN1CCOCC1)c1cnc(C2CC2)nc1 97604035 OGZXQGFRXNLBCT-UHFFFAOYSA-N 290.367 0.806 0 50 CCAA CCn1ccnc1C1CCN(S(=O)(=O)N(C)C)CC1 91547606 OZBMGPPQFWNLLY-UHFFFAOYSA-N 286.401 0.889 0 50 CCAA COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1C(=O)O)C(C)C 140157652 PNAXKGVRCAXIJK-GUBZILKMSA-N 286.328 0.831 0 50 CCAA N[C@@H](CCc1ncnn1CCc1ccccc1)C(=O)O 96147796 LMMOSDGHEVUOJS-LBPRGKRZSA-N 274.324 0.865 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)CSC)C1 92027933 PKZWYXBQMDFHHQ-GFCCVEGCSA-N 261.387 0.987 0 50 CCAA CCc1nnc(CN(CC)C(=O)[C@@H]2CC(=O)N(CC)C2)o1 92037838 FDIWMDIJBRGYKD-SNVBAGLBSA-N 294.355 0.849 0 50 CCAA CCN1CCN(CC(=O)N[C@@H]2C=CCCC2)CC1 343775026 TYYAPYNTHOIPJD-CYBMUJFWSA-N 251.374 0.849 0 50 CCAA c1cnn(CCCN2CCN(c3nc[nH]n3)CC2)c1 244734700 NKFXUKIDCKWSKS-UHFFFAOYSA-N 261.333 0.214 0 50 CCAA Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[C@H]3N)CCO2)cn1 299738567 CGJGMTLYQSODKN-XQQFMLRXSA-N 278.356 0.447 0 50 CCAA Cc1nn(C)cc1NC(=O)NCCCn1ccnn1 299757381 IOZLACHCALGLFX-UHFFFAOYSA-N 263.305 0.532 0 50 CCAA CCn1nc(C)c([C@H](C)NC(=O)CS(C)(=O)=O)c1C 823593447 ULFCAIAXWJJTJV-QMMMGPOBSA-N 287.385 0.742 0 50 CCAA Cc1cnn([C@@H](C)C(=O)NCCc2ncnn2C)c1 584893030 RFHDHQSYINUGDD-JTQLQIEISA-N 262.317 0.240 0 50 CCAA Nc1nc(CNC(=O)C[C@H]2CCCOC2)cs1 584900791 VGAQRDDKNVEIOO-MRVPVSSYSA-N 255.343 1.158 0 50 CCAA CC(=O)N1CCC(C(=O)N[C@@H]2C[C@@]3(C(=O)O)C[C@@H]23)CC1 1875291827 MTMJJWNIFDGFGQ-WDMOLILDSA-N 280.324 0.224 0 50 CCAA N[C@H]1CCN(C(=O)C(=O)N[C@H](CF)c2ccccc2)C1 1875312548 OFZXVDYVPHYXJG-NWDGAFQWSA-N 279.315 0.373 0 50 CCAA N[C@]1(C(=O)NC[C@@H]2CCOC2=O)CCC[C@@H]2C[C@H]21 1875355605 ANYMFIDLQQPOGO-BSTOTGJRSA-N 252.314 0.183 0 50 CCAA Cc1noc(C2(NC(=O)/C=C/CN(C)C)CC2)n1 1875376987 OXQUIPFEBXQOFC-SNAWJCMRSA-N 250.302 0.601 0 50 CCAA Cn1ccc(C(=O)NC[C@H]2CC3(CCNCC3)CO2)n1 877328885 NYFCVHPLMQZPEM-LLVKDONJSA-N 278.356 0.309 0 50 CCAA CCOc1cc(N2CC(N[C@H]3CCOC3)C2)ncn1 952994324 ZOBGDJYACYPZKZ-JTQLQIEISA-N 264.329 0.442 0 50 CCAA COC(=O)/C=C/CNC(=O)CN1CCCCCCC1=O 1875273290 MFPYDLNOZQGJMY-SOFGYWHQSA-N 282.340 0.625 0 50 CCAA CCNc1nc(C)c(C(=O)NCc2nn[nH]n2)s1 952988385 LNWRWTCICJHYAP-UHFFFAOYSA-N 267.318 0.326 0 50 CCAA CCN(Cc1cnn2cccnc12)[C@@H]1CCS(=O)(=O)C1 952869589 VZDBIJXQOXEQFM-GFCCVEGCSA-N 294.380 0.738 0 50 CCAA Cc1nc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)co1 888093529 CMECYFBIERJTGQ-CMPLNLGQSA-N 292.295 0.293 0 50 CCAA Cc1nonc1CC(=O)N1CCN(CC(C)(F)F)CC1 1420258382 YSMJWMBEGDBQDD-UHFFFAOYSA-N 288.298 0.720 0 50 CCAA CCOc1cc(C(=O)N[C@H](CO)C2CCOCC2)[nH]n1 1362792713 IHNPKDQKMGENBE-LLVKDONJSA-N 283.328 0.326 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)[C@@H](C)n2cccn2)C1 630249948 QCDVQAVHDHWIJQ-SKDRFNHKSA-N 267.285 0.146 0 50 CCAA Cn1nccc1C1CCN(C(=O)[C@@H]2CSCN2)CC1 167179050 CSNTYPNIWPDKIX-NSHDSACASA-N 280.397 0.789 0 50 CCAA CN1CCO[C@@H](CNC[C@@H](O)c2ccc3c(c2)OCO3)C1 223040065 FPHZELAEXDMHAL-QWHCGFSZSA-N 294.351 0.369 0 50 CCAA O=C(O)[C@H](C1CC1)N1CCN([C@H]2CCC[C@H]2O)CC1 635017327 SUIVVIXNGCWMLR-XQQFMLRXSA-N 268.357 0.381 0 50 CCAA COc1ccc(O)c(C(=O)NC[C@H]2CN(C)CCN2C)c1 225362281 OMVUMATXEVIZDN-NSHDSACASA-N 293.367 0.376 0 50 CCAA CN1CC[C@@](C)(C(=O)N[C@H]2CCCn3nccc32)C1=O 636370889 BXWWEEXKALGCKW-HZMBPMFUSA-N 276.340 0.703 0 50 CCAA NC1(CC(=O)N=c2ccn([C@@H]3CCNC3)[nH]2)CCC1 648048957 VBWLINFMOROESB-SNVBAGLBSA-N 263.345 0.049 0 50 CCAA CSc1cncc(NC(=O)CN(C)S(C)(=O)=O)c1 585125048 FEGNPEVBLYOFMI-UHFFFAOYSA-N 289.382 0.633 0 50 CCAA C=CC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 585124645 LADKPQCYZNCKJL-UHFFFAOYSA-N 272.351 0.466 0 50 CCAA CO[C@@H](C)CS(=O)(=O)N=c1cc[nH]c2cccnc12 585128667 JUGZETWLOIYISO-VIFPVBQESA-N 281.337 0.828 0 50 CCAA O[C@@]1(c2cnn[nH]2)CCCN(Cc2cccnc2)C1 794010910 VKVUYAPPAQQRIR-ZDUSSCGKSA-N 259.313 0.683 0 50 CCAA CC(=O)NCC(=O)N1CC[C@H](c2sccc2C)[C@@H](O)C1 209916154 UAQAFNBJENHKHP-RYUDHWBXSA-N 296.392 0.869 0 50 CCAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2Cc1ncc[nH]1 212594093 NEOLCNWPFNDCKX-OLZOCXBDSA-N 291.399 0.394 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N[C@H]1CCNCC1(C)C 420460647 LHYACKPNCMRRPK-JTQLQIEISA-N 286.401 0.395 0 50 CCAA CC(C)NCCC(=O)N1CC[C@@](O)(C(F)(F)F)C1 161816004 BOAKFQIDUJDEGW-JTQLQIEISA-N 268.279 0.900 0 50 CCAA CC(C)(C)CN1C[C@H](NC(=O)Cn2cccn2)CC1=O 12705818 PZPIROIXFUHAJE-LLVKDONJSA-N 278.356 0.646 0 50 CCAA COc1ccc(CNC(=O)CN2CCOCC2)cc1 14085861 LKSPNGBKQYHPSN-UHFFFAOYSA-N 264.325 0.644 0 50 CCAA COCCN1CN(C(=O)NC[C@H]2CC[C@H](C)C2)CC1=O 252478074 ACDYXUWIKNGGPI-RYUDHWBXSA-N 283.372 0.880 0 50 CCAA Cc1cn(C)nc1CN1CCC[C@H](N2CCNCC2=O)C1 903744950 ZXIPTKQSGUDIGV-ZDUSSCGKSA-N 291.399 0.125 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)[C@H](C)CN1CCOCC1 907834763 BZTBHKCIOGNJHO-CYBMUJFWSA-N 297.399 0.200 0 50 CCAA O=C(NOC[C@@H]1CCOC1)[C@@H]1CCCn2nccc21 818866336 MHCGFYSWNBMYMF-GHMZBOCLSA-N 265.313 0.845 0 50 CCAA Cc1c[nH]nc1CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 225422242 WHWOFJMEDREPSO-GFCCVEGCSA-N 298.412 0.718 0 50 CCAA C[C@H](CN(C)C(=O)c1ccc2nncn2c1)C(=O)O 237581363 KRNCHKZXCODSGB-MRVPVSSYSA-N 262.269 0.522 0 50 CCAA Cn1cc(C(=O)N2CCC[C@H](C(=O)O)C2)ccc1=O 261810670 MQOPRBBGRDPPMV-JTQLQIEISA-N 264.281 0.322 0 50 CCAA C[C@H]1CC[C@H](NC(=O)C(=O)C2CCCC2)C(=O)N1 2325811425 YINZIJWFJSHGRO-WPRPVWTQSA-N 252.314 0.529 0 50 CCAA COC1(C(=O)Nc2ccc3nccn3c2)CS(=O)(=O)C1 932611758 BSGORVKJYATAOY-UHFFFAOYSA-N 295.320 0.086 0 50 CCAA CS(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 261913 OEZLSKRJPSEQGA-UHFFFAOYSA-N 286.353 0.567 0 50 CCAA CN(C)N1C(=O)C[C@@H](Nc2ccc(F)cc2)C1=O 439725 RSBQRTBKNWAGQP-SNVBAGLBSA-N 251.261 0.842 0 50 CCAA CCN(CC)C(=O)CSc1nc(O)cc(=O)n1CC 1301479 KTUWXRSRTSWALI-UHFFFAOYSA-N 285.369 0.929 0 50 CCAA Cc1oncc1CN1CCC[C@@](O)(Cn2ccnn2)C1 343926773 DFTYGALXWRIMAL-ZDUSSCGKSA-N 277.328 0.602 0 50 CCAA CCCc1cc(CNC(=O)[C@@H]2CN(C)CC[C@H]2O)on1 2356142551 XFCHSIULURXFQS-CHWSQXEVSA-N 281.356 0.556 0 50 CCAA Cn1nnc([C@H]2CN(CCCC(F)(F)F)CCO2)n1 2356143842 AMIRJYQBCWQOCL-MRVPVSSYSA-N 279.266 0.926 0 50 CCAA CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CNCCN2C1=O 307627364 LJCUCZLZFKIRRY-BDAKNGLRSA-N 255.318 0.084 0 50 CCAA CCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230372 SOKCFOQAWZGYDZ-UHFFFAOYSA-N 286.353 0.597 0 50 CCAA Nc1nnc(SCc2cc(=O)n3ncnc3[nH]2)s1 100069621 KUCRJXNQUMNWAM-UHFFFAOYSA-N 281.326 0.144 0 50 CCAA NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1COc2ccccc21 229836259 MBXNLQGCFNPQIR-UTUOFQBUSA-N 274.320 0.933 0 50 CCAA COCc1cccc(C(=O)N[C@@H]2CCOC[C@H]2O)n1 219502699 WTICDRKRPXMQET-ZYHUDNBSSA-N 266.297 0.108 0 50 CCAA O=C([C@H]1COc2ccccc2O1)N1CCC(O)(CO)CC1 67851825 VZMAGHCOXQWLJV-CYBMUJFWSA-N 293.319 0.172 0 50 CCAA O=C([C@H]1CCCO1)N1CCC(c2nnc(O)o2)CC1 331862686 CSXPUWWQLATRBN-SECBINFHSA-N 267.285 0.660 0 50 CCAA CC(C)(C)OC(=O)CCOCCN1C(=O)C=CC1=O 219026664 YFNQRZMVQPRONS-UHFFFAOYSA-N 269.297 0.660 0 50 CCAA CN(Cc1ccccc1)c1ncccc1CNC(=O)C(N)=O 67649289 TZCMBRYFVMPPTJ-UHFFFAOYSA-N 298.346 0.820 0 50 CCAA C[C@@H](C(=O)OC(C)(C)C)N1CCN(C(=O)CN(C)C)CC1 150991579 KPOICNAEQRUCEC-LBPRGKRZSA-N 299.415 0.422 0 50 CCAA O=S1(=O)CC[C@H]2CN(Cc3nccn3C(F)F)C[C@H]21 329200880 WLJCXFOGYDONGE-DTWKUNHWSA-N 291.323 0.897 0 50 CCAA CN1C[C@@H](N2C(=O)C3(CCSCC3)N=C2O)CC1=O 330076545 DWANDUXFBZLUDZ-QMMMGPOBSA-N 283.353 0.239 0 50 CCAA CNC(=O)[C@@H]1CN(C(=O)c2c(C(C)C)n[nH]c2C)CCO1 368066105 XJMSPEWAJODCSR-JTQLQIEISA-N 294.355 0.429 0 50 CCAA Cn1cnn(CC(=O)N2CCC[C@H]2c2cccnc2)c1=O 371528223 KHPYBHNOIBUHJG-LBPRGKRZSA-N 287.323 0.341 0 50 CCAA c1cn2cnnc2c(=NCc2cn3c(n2)CCCC3)[nH]1 333298823 MACUSZYRGXQDMW-UHFFFAOYSA-N 269.312 0.691 0 50 CCAA CC[C@@]1(O)CCN(C(=O)CCc2csc(N)n2)C[C@H]1O 77299241 DFYDOTGTEFZKJR-ZWNOBZJWSA-N 299.396 0.392 0 50 CCAA CNC(=O)CN1CCN(Cc2cncn2C(C)C)CC1 215502512 JOTGSMLMOILSDD-UHFFFAOYSA-N 279.388 0.328 0 50 CCAA C[C@](O)(CNC(=O)[C@H]1C[C@@]12CCc1ccccc12)C(=O)O 262485024 ILIBMYSJQGPOLZ-UHOFOFEASA-N 289.331 0.842 0 50 CCAA CCN1CC[C@H](NC(=O)N2CCCN(CC)C(=O)C2)C1 334116030 HGSCLVIXHKSNFT-LBPRGKRZSA-N 282.388 0.344 0 50 CCAA Cc1cccc([C@H](NC(=O)[C@@H]2COCCO2)C(=O)O)c1C 263074876 PJJCYBMLKRHQOX-STQMWFEESA-N 293.319 0.961 0 50 CCAA CN1C[C@H]2CN(C(=O)c3cccc(CO)c3)C[C@H]2C1 336097864 QYJYKBBXRMGEFZ-OKILXGFUSA-N 260.337 0.813 0 50 CCAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cncc(O)c1 285537439 RUUXAMUOMYXUFC-AAEUAGOBSA-N 288.307 0.781 0 50 CCAA CCN1CCC[C@@H](NS(=O)(=O)c2cn[nH]c2)C1 40503728 GHSNZLJLFGOQPL-SECBINFHSA-N 258.347 0.172 0 50 CCAA CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCCCO2)nn1 289588211 ZMHHNUNRBZYLFZ-GHMZBOCLSA-N 282.300 0.032 0 50 CCAA CNCC1CCN(C(=O)c2c(OC)ncnc2OC)CC1 179030675 GYHXHAWAGAEBJZ-UHFFFAOYSA-N 294.355 0.565 0 50 CCAA CC[C@@H](C(=O)N1CC[C@@H](C(=O)O)C1)N1CCCC1=O 178261390 WPCRCAAMBFQVAO-ZJUUUORDSA-N 268.313 0.321 0 50 CCAA C[C@]1(C(=O)NCCCn2ccccc2=O)CCCO1 426429813 NFQTWFYZDOGYQN-CQSZACIVSA-N 264.325 0.924 0 50 CCAA Cc1cn(CCNC(=O)CCc2c(C)nn(C)c2C)nn1 82109435 QOPIBGOMWXLEMT-UHFFFAOYSA-N 290.371 0.686 0 50 CCAA CN1C(=O)C[C@@H](C(=O)NCCc2cc[nH]n2)C1(C)C 426494481 OSWBMOHONPZNCK-JTQLQIEISA-N 264.329 0.325 0 50 CCAA Cc1cc(C)n(CCCC(=O)N2CCC[C@@](O)(CO)C2)n1 199774133 YJHDZQVMPSZCHN-HNNXBMFYSA-N 295.383 0.626 0 50 CCAA O[C@@H]1CNC[C@H]1NC1CCN(c2ccc(F)c(F)c2)CC1 426428382 QNAPEJXWMPUIGI-HUUCEWRRSA-N 297.349 0.856 0 50 CCAA Cc1nnnn1Cc1nn(C)cc1Br 292556082 CPPBPWKPSBPNFS-UHFFFAOYSA-N 257.095 0.526 0 50 CCAA N=C1C=CC(=C(O)N[C@H]2CCS(=O)(=O)C2)C=C1 334158939 FKFLGYNCHLLKQB-JTQLQIEISA-N 254.311 0.678 0 50 CCAA CCCn1ccnc1-c1cn(C[C@@H]2CNCCO2)nn1 95386493 WIQKSOXHXYADHT-NSHDSACASA-N 276.344 0.540 0 50 CCAA c1cc2c(cc1CN1C[C@@H]3NCCO[C@H]3C1)CCO2 426506871 VSOQZJOBZSXKQB-ZFWWWQNUSA-N 260.337 0.794 0 50 CCAA COCC[C@@]1(C(=O)O)CCCN(C(=O)c2cnn(C)c2)C1 91693742 XSLVEVOIEVFXPW-AWEZNQCLSA-N 295.339 0.764 0 50 CCAA Cc1cc(C)n(CCNC(=O)[C@H]2COCCO2)n1 97528084 BJBMLWFGUHFOOK-LLVKDONJSA-N 253.302 0.032 0 50 CCAA CCN1C[C@H](C(=O)NCCCn2nc(C)nc2C)CC1=O 95364591 VOHHENOQUIVUFS-GFCCVEGCSA-N 293.371 0.270 0 50 CCAA Cn1cnnc1CCNC(=O)CCCn1cccn1 244626654 FPZGMWGDJPBFIU-UHFFFAOYSA-N 262.317 0.151 0 50 CCAA CCc1nc(C)c(CNC(=O)CNC(N)=O)s1 244708341 KRXSJOMBXUILOY-UHFFFAOYSA-N 256.331 0.298 0 50 CCAA Cc1[nH]ccc1C(=O)N[C@H]1COC[C@@H]1N1CCOCC1 534662575 ZDCUKXYKRADHQU-STQMWFEESA-N 279.340 0.153 0 50 CCAA Cc1nc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)n(C)c1C 828896776 NYVXTCYOERJOBW-KBPBESRZSA-N 278.400 0.678 0 50 CCAA Cc1cc(C)n(CCNC(=O)NC(C)(C)C)c(=O)n1 827989608 BIPCAGGXRNFMRV-UHFFFAOYSA-N 266.345 0.958 0 50 CCAA O=C(CCc1cccnc1)N1CCN2C(=O)OC[C@@H]2C1 493335733 DPFUVZQGDXUAJM-LBPRGKRZSA-N 275.308 0.677 0 50 CCAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](O)C2 823597288 XNMKQVGSXKFKHC-SNVBAGLBSA-N 263.341 0.989 0 50 CCAA CON1CCC(CC(=O)NC[C@H]2CCCN2)CC1 864091272 AOXHZDKTVGSYMP-GFCCVEGCSA-N 255.362 0.518 0 50 CCAA Cc1ncn(CCn2cnc3nccnc3c2=O)c1C 584894586 IKBUVASUXPTUEH-UHFFFAOYSA-N 270.296 0.700 0 50 CCAA CN(CC1(C)COC1)C(=O)CCN1CCCCC1=O 584886011 HEQIVRVSHYWVIH-UHFFFAOYSA-N 268.357 0.884 0 50 CCAA C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O 609966 JIFXULKCWCQJDP-ZCFIWIBFSA-N 262.718 0.492 0 50 CCAA Cc1nsc(C(=O)N2CCOC[C@@]23CCOC3)c1N 1875284463 VHSKPNIXNHPKEF-LBPRGKRZSA-N 283.353 0.665 0 50 CCAA C=CC(=O)N(C)CC(=O)NC[C@@H]1CC2(CC2)CO1 1875370317 KAVNHHYFAGFLNB-JTQLQIEISA-N 252.314 0.316 0 50 CCAA CC(C)N1C[C@H](NC(=O)c2cc(C(C)(C)N)n[nH]2)CC1=O 1875336520 ABVDAVOEARRSKX-SECBINFHSA-N 293.371 0.343 0 50 CCAA Cc1csc(S(=O)(=O)NCCN2CCNC2=O)c1 1875392222 FESRYQHUSCEEOO-UHFFFAOYSA-N 289.382 0.360 0 50 CCAA CN1CCC(NC(=O)CN2CCN3CCCC[C@@H]3C2)CC1 878253165 ISZVJAFLLOIGCV-OAHLLOKOSA-N 294.443 0.367 0 50 CCAA CCN(CC(=O)O)C(=O)C1CC2(C1)[C@@H](C(=O)O)C2(F)F 1775998136 SVHAGGZEHLVKTF-NUQKGASQSA-N 291.250 0.666 0 50 CCAA COC(=O)/C(C)=C/n1cc(CNC(=O)C(F)(F)F)nn1 1775987262 WCKDECUWLOBUDN-GQCTYLIASA-N 292.217 0.490 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cnccc1N 247975807 KUDNTFRVEMTLIV-MNOVXSKESA-N 260.341 0.973 0 50 CCAA Cn1c(C(=O)N[C@H]2CNC[C@@H]2O)cc2cc(F)ccc21 1565509010 IJTVNSVDUJZTGA-GWCFXTLKSA-N 277.299 0.380 0 50 CCAA CC1(O)CCN(C(=O)NCCn2ccnc2)CC1 408276432 IUYPBTBVWCESDY-UHFFFAOYSA-N 252.318 0.440 0 50 CCAA CCS(=O)(=O)N[C@@H](C(=O)O)c1cccc(OC)c1 275222978 IRHSNOKLWWUDGH-SNVBAGLBSA-N 273.310 0.760 0 50 CCAA CC(=O)NC[C@]1(NC(C)=O)CCN(Cc2ccccc2)C1 515238080 KIWSIWHBXBPCIP-MRXNPFEDSA-N 289.379 0.903 0 50 CCAA Cc1cnc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cn1 170231141 XCAJUURTLGEILL-SECBINFHSA-N 269.326 0.044 0 50 CCAA CC[C@@H](NC(=O)c1ccnc(C)c1)C(=O)N1CCOCC1 279610954 ZASFYOCOTYBIEA-CYBMUJFWSA-N 291.351 0.757 0 50 CCAA O=C(O)CCCCNC(=O)[C@@H]1CCc2ncncc2C1 647729850 XVECOJTZHKDVIG-SNVBAGLBSA-N 277.324 0.953 0 50 CCAA CCc1c(C(=O)NS(=O)(=O)N(C)C(C)C)cnn1C 729914325 QQERDPXIUWZBSA-UHFFFAOYSA-N 288.373 0.297 0 50 CCAA CN(CC(=O)Nc1cc2ccccc2nn1)S(C)(=O)=O 585125491 VDLKMPMXSVWKLF-UHFFFAOYSA-N 294.336 0.460 0 50 CCAA Cc1nc(N)nc(NC[C@@](C)(O)CCCO)c1Cl 1506427964 VONWGDLYGJSEQA-NSHDSACASA-N 274.752 0.956 0 50 CCAA COCCN1CC[C@H](CN(C)Cc2noc(C)n2)C1 1529197028 JYMAZYRFSLHMNW-GFCCVEGCSA-N 268.361 0.778 0 50 CCAA CNC(=O)CCN(C)c1nc(C)c(C)cc1C(N)=O 1704343325 GRQSJQMQNZAMGT-UHFFFAOYSA-N 264.329 0.370 0 50 CCAA C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1nc[nH]n1 1875393847 NEAFAVNAJDFLMX-NXEZZACHSA-N 285.373 0.052 0 50 CCAA O=C1N[C@H](C(=O)N2CCC3(CCOCC3)CC2)CO1 375922634 OGEPMNFECYDNNV-JTQLQIEISA-N 268.313 0.514 0 50 CCAA CCCc1nc(C)cc(N2C[C@H]3[C@H](C2)C3(CO)CO)n1 1772814734 QCVUYAQHZYVYQC-RYUDHWBXSA-N 277.368 0.775 0 50 CCAA CC(=O)NS(=O)(=O)Nc1ccc2nc(N)sc2c1 1772491309 AYEBLZTUHPMRFZ-UHFFFAOYSA-N 286.338 0.671 0 50 CCAA CCCC[C@H](CO)NC(=O)C(=O)N[C@@H](CO)CCCC 5298618 XBTICJVZGBSWDU-VXGBXAGGSA-N 288.388 0.321 0 50 CCAA COC(=O)CNC(=O)c1cn(Cc2ccccc2F)nn1 12712001 IJHIIFKMTNGUKV-UHFFFAOYSA-N 292.270 0.368 0 50 CCAA CC(C)c1cc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)no1 1857723348 BNKKDWIDTKHLLI-ZJUUUORDSA-N 293.323 0.385 0 50 CCAA COc1cc2cc(C(=O)O)c3nnnn3c2cc1OC 140490142 RNXRPXAHGZQSEZ-UHFFFAOYSA-N 274.236 0.993 0 50 CCAA Cc1ncn(C)c1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1875245273 SAJODIQZTLCXRY-RYUDHWBXSA-N 278.356 0.131 0 50 CCAA Cn1cccc1CNC(=O)CN1CCCC[C@H](O)C1=O 818791241 MAWKEXNFHKZYNC-LBPRGKRZSA-N 279.340 0.015 0 50 CCAA CCN(C)C(=O)CN1CCN(c2cncc(OC)c2)CC1 931210915 AIMGJXXFMCDFQY-UHFFFAOYSA-N 292.383 0.691 0 50 CCAA O=C(Nc1cnsn1)N[C@H]1CCN(CC(F)F)C1 931394243 VIEVIMMMBRVKEY-LURJTMIESA-N 277.300 0.999 0 50 CCAA O=C1CN(Cc2c(F)cncc2F)C2(CN1)COC2 931623081 RRTISXZWMHMHHK-UHFFFAOYSA-N 269.251 0.061 0 50 CCAA Cc1nc2nc(C(C)C)cc(=O)n2n1Cc1cnn(C)n1 857244936 KVCLUVDUSMHJLM-UHFFFAOYSA-N 287.327 0.500 0 50 CCAA CN(C)C(=O)c1ccc(N2CC[C@H](CCN)C2)nc1 125451355 RNJAUPKJLJRVSF-NSHDSACASA-N 262.357 0.959 0 50 CCAA COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOCC2(CC2)C1 253419104 JXKDCRKEGZGTLQ-WDEREUQCSA-N 267.325 0.825 0 50 CCAA Cc1cc(NCCc2nnc(C)n2C)n2ncnc2n1 277778393 LYZZSKJTILFZFE-UHFFFAOYSA-N 272.316 0.524 0 50 CCAA COCCN1CC[C@@H](NC(=O)c2ccc(F)cn2)C1 330384659 RKJNSOHHBLHXQT-LLVKDONJSA-N 267.304 0.671 0 50 CCAA O=C1CCC2(CN(C(=O)c3cccc4oc(O)nc34)C2)N1 2325782901 MFOIDQNHZZQXSF-UHFFFAOYSA-N 287.275 0.638 0 50 CCAA COC(=O)c1ccc(CSc2nnc(C)n2N)o1 179301 NQIFHIVMCJEYSN-UHFFFAOYSA-N 268.298 0.972 0 50 CCAA CS(=O)(=O)N(CC(N)=O)Cc1ccc(Cl)cc1 614848 WUFZARORZZQUKI-UHFFFAOYSA-N 276.745 0.587 0 50 CCAA O=C(NCCNC(=O)c1ccccn1)c1ccccn1 2398386 DSDKDXHFZDZGFR-UHFFFAOYSA-N 270.292 0.636 0 50 CCAA NS(=O)(=O)c1cc2c3c(cccc3c1)C(=O)NC2=O 2840661 PWYQSBMTXDNSAD-UHFFFAOYSA-N 276.273 0.371 0 50 CCAA COC(=O)[C@@]12COC[C@@H]1CN(CCn1cc(Cl)cn1)C2 2356169910 LDNPBGPMLJHXSV-GWCFXTLKSA-N 299.758 0.658 0 50 CCAA Cn1nnc(CNC(=O)[C@H]2CSc3ccccc3O2)n1 225613228 HAPFUKHTYXWXKJ-SECBINFHSA-N 291.336 0.380 0 50 CCAA CCOC(=O)c1cnc(N2CCN(C)CC2)nc1C 8731930 RENLLCUFURZRDY-UHFFFAOYSA-N 264.329 0.714 0 50 CCAA COC(=O)[C@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C 26898744 RNMVWSAJMIKMDY-RKDXNWHRSA-N 259.302 0.920 0 50 CCAA O=C(CN1CCC2(C1)OCCO2)NC(C1CC1)C1CC1 118951578 RCGFQAOABPMRBW-UHFFFAOYSA-N 280.368 0.740 0 50 CCAA O=C(O)C1CCN(c2cncc(-n3cccn3)n2)CC1 520411876 HCCXKYYWQQIFBO-UHFFFAOYSA-N 273.296 0.963 0 50 CCAA C[C@H](C(=O)O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 229348819 TWTAPRQEDWQKPY-LURJTMIESA-N 272.282 0.144 0 50 CCAA O=C(O)[C@H]1CC(=O)N(Cc2nc(-c3cccnc3)no2)C1 65395815 NINQTZVLLMRTSM-VIFPVBQESA-N 288.263 0.565 0 50 CCAA COC[C@@H](C)C(=O)N1CCCC[C@@H]1c1nc(O)n[nH]1 330806489 LGXHMSQSOVXEHW-RKDXNWHRSA-N 268.317 0.846 0 50 CCAA COCCc1noc(Cn2c(=O)[nH]c3ccccc32)n1 74123230 AXIURDBUCCVXMY-UHFFFAOYSA-N 274.280 0.950 0 50 CCAA NC(=O)[C@@H]1COCCN1CCN1CCCc2ccccc21 367447494 CQLIAEBGSNXGSZ-HNNXBMFYSA-N 289.379 0.625 0 50 CCAA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)N[C@H]2[C@@H]4CNC[C@@H]42)[C@H]31 333782448 DXIUCYYLSCSMSM-PGIFWFAZSA-N 277.368 0.269 0 50 CCAA CO[C@@H]1CCCN(c2ncccc2S(N)(=O)=O)CC1 376868172 DZRIDCGVFJPJPI-SNVBAGLBSA-N 285.369 0.734 0 50 CCAA Cc1cc(C)n(CC(=O)N(C)Cc2cnccn2)c(=O)n1 219314528 BFRQDDOTXFXCSF-UHFFFAOYSA-N 287.323 0.309 0 50 CCAA COC1=C(OC)[C@@](O)(C2=CCCC[C@H]2OC)C1=O 43199075 FQZCFGIEZJTGPO-NOZJJQNGSA-N 254.282 0.930 0 50 CCAA C[C@@H](NC(=O)CCc1nc(N(C)C)no1)c1ncc[nH]1 615158561 RQVHIAXFPXESTF-MRVPVSSYSA-N 278.316 0.669 0 50 CCAA COc1cc(N2CCN(C(=O)[C@H]3CCCO3)CC2)ncn1 178799322 ALYFBTHJJJADGJ-LLVKDONJSA-N 292.339 0.313 0 50 CCAA CCN(Cc1noc(C)n1)C(=O)C(=O)c1cccn1C 223329242 HWMWCRBLDKPUTB-UHFFFAOYSA-N 276.296 0.948 0 50 CCAA CCCN(Cc1nccn1C)C(=O)CN(C)C(N)=O 426615589 UGKSPFZYOVGCNZ-UHFFFAOYSA-N 267.333 0.169 0 50 CCAA O=C(O)[C@H]1[C@H](C(=O)NCc2ccccn2)[C@H]2C=C[C@H]1O2 239173757 OPKJEKZXOQTIPV-DDHJBXDOSA-N 274.276 0.352 0 50 CCAA O=c1[nH]ccn1CCN1CCCN(c2ncccn2)CC1 244773865 PHZIQHFSINKCQZ-UHFFFAOYSA-N 288.355 0.179 0 50 CCAA OCC(CO)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244795264 RCTBAFNBKANBMV-XRNSZHNASA-N 257.355 0.503 0 50 CCAA Cc1c([C@H](C)NC(=O)CCN2CCN(C)CC2)cnn1C 244788019 QHVHILQAGZCGOJ-LBPRGKRZSA-N 293.415 0.543 0 50 CCAA Nc1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)n[nH]1 299769069 MIIBLMUYLLSPCG-UHFFFAOYSA-N 291.355 0.467 0 50 CCAA CCc1noc([C@@H](C)NS(=O)(=O)c2cnn(C)c2)n1 823569341 HLBXIOCMFPFHNM-SSDOTTSWSA-N 285.329 0.405 0 50 CCAA CC(C)N(C)C[C@H](C)NCCc1nnc(O)n1C 821197317 RFWANBAHKASLLC-JTQLQIEISA-N 255.366 0.382 0 50 CCAA Nc1ncccc1CNC(=O)C(F)(F)C1(O)CCC1 1875279109 GRTXDRYTNBYATQ-UHFFFAOYSA-N 271.267 0.830 0 50 CCAA CSC1CCN(C(=O)C(=O)N2C[C@H](N)C3(CC3)C2)CC1 1875269550 PFOGIOQRAJKROQ-NSHDSACASA-N 297.424 0.290 0 50 CCAA C[C@@H]1CC2(CCCC2)CN1C(=O)C[C@H](N)C(=O)O 1875287582 PPBWOAIMQHBRDW-ZJUUUORDSA-N 254.330 0.970 0 50 CCAA O=S1(=O)CCN(Cc2noc(-c3ccco3)n2)CC1 244678825 IKXWKKXWKBJELX-UHFFFAOYSA-N 283.309 0.560 0 50 CCAA O=S1(=O)CCC(CN[C@]23CCC[C@H]2NCC3)CC1 1775961178 FDKCXBTUUOBRRT-OLZOCXBDSA-N 272.414 0.685 0 50 CCAA CC(C)(C)OC(=O)N1CS(=O)(=O)CC[C@@H]1C(=O)O 1535640705 TWKGPTYNFFKJPT-SSDOTTSWSA-N 279.314 0.453 0 50 CCAA COc1c(C=O)sc(S(N)(=O)=O)c1OC 1536220689 YIJMTUFZLUVTML-UHFFFAOYSA-N 251.285 0.225 0 50 CCAA Cc1nc(S(=O)(=O)NC(=O)[C@H]2C[C@@H]2C(C)C)cn1C 408505770 YDGRHSYPYLINHD-ZJUUUORDSA-N 285.369 0.826 0 50 CCAA COc1cc(C(=O)N2CCNC(=O)[C@H]2CC(C)C)on1 189036603 FSHBCKRVOZXPOR-SECBINFHSA-N 281.312 0.670 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC[C@@H]1CCSC1 907850226 DREYYIXQEPSUQQ-JTQLQIEISA-N 256.371 0.890 0 50 CCAA Cc1ccn(-c2ccc(N3C[C@H]4C[C@]4(CO)C3)nn2)n1 782401558 FEJOCXSFPWARKC-BXUZGUMPSA-N 271.324 0.789 0 50 CCAA Cc1nc(N2C[C@@H]3CC(=O)N[C@@H]3C2)nc2c1CCC2 1857701640 SDMQHHIQBQFMMR-JOYOIKCWSA-N 258.325 0.598 0 50 CCAA CC(C)(C)N1CC[C@@H](NC(=O)c2cnc(C(N)=O)cn2)C1 1772708031 BYBWDDHHTKHAAB-SECBINFHSA-N 291.355 0.178 0 50 CCAA CSc1nsc(NC(=O)CN(C)S(C)(=O)=O)n1 265844724 SRVBUOHHJXWSIV-UHFFFAOYSA-N 296.399 0.090 0 50 CCAA CC[C@H](N)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cc(C)no1 570799265 JKQWQYDAQIFJCF-GVXVVHGQSA-N 298.362 0.749 0 50 CCAA COc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4324742 CRRGBVOIPIHHBT-SNVBAGLBSA-N 269.322 0.612 0 50 CCAA CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cnn[nH]2)CC1 330401789 UKRYKTPXVUUYJR-SNVBAGLBSA-N 293.371 0.818 0 50 CCAA CC(=O)OC[C@H]1O[C@H](OC(C)=O)C[C@@H]1OC(C)=O 16953824 QAGMBTAACMQRSS-AXFHLTTASA-N 260.242 0.159 0 50 CCAA in-vitro CCC[C@@H](NC(=O)c1cn2c(n1)CCC2)c1nn[nH]n1 571525406 LRSBFXRUWOZBIN-MRVPVSSYSA-N 275.316 0.614 0 50 CCAA Cc1cc(C)nc(N2C[C@H]3COC[C@@H](C2)CN3C)n1 1704316087 VHEBKBJROLDWDS-OLZOCXBDSA-N 262.357 0.860 0 50 CCAA Cc1noc(C)c1CN1CCC([C@H](O)CO)CC1 1772702735 DTNMLSJOQYDBME-CYBMUJFWSA-N 254.330 0.857 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CCCOC[C@H]2C)n1 823751052 VHPGIJOYQCGEOO-SNVBAGLBSA-N 281.360 0.927 0 50 CCAA CN(CCCO)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 852013538 UXQTVSAUDHSFQJ-GFCCVEGCSA-N 288.388 0.937 0 50 CCAA O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cc[nH]n1 253426583 UDCRTPRGIBRNLB-SECBINFHSA-N 251.286 0.825 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 630253327 XOKXQTVEDLKHKH-VWMGYNLJSA-N 269.297 0.256 0 50 CCAA CCNc1ncc(C(=O)NC2(C(N)=O)CCCC2)cn1 91819864 KFTTWXSDWRMLJZ-UHFFFAOYSA-N 277.328 0.436 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1nonc1C 692331930 RXWOYKDIRQZDKN-NSHDSACASA-N 255.274 0.444 0 50 CCAA COC(=O)c1nccc(N(C)C[C@H]2CCC[C@H]2O)n1 596175933 XEIQZQCGNFQRHK-NXEZZACHSA-N 265.313 0.860 0 50 CCAA COc1nonc1Nc1ncc(C)c(N(C)C)n1 2100480207 ACGGTHPDBPDZTE-UHFFFAOYSA-N 250.262 0.986 0 50 CCAA CC(C)c1nccn1CCCNC(=O)c1nc(=O)n(C)[nH]1 2100537235 JZAHJYVRUDYILE-UHFFFAOYSA-N 292.343 0.248 0 50 CCAA CCCc1nnc(NC(=O)CCN2C(=O)CCC2=O)s1 858493 HZICAAPRBDUIAP-UHFFFAOYSA-N 296.352 0.968 0 50 CCAA CCn1ncnc1[C@H]1CC(=O)Nc2[nH]nc(C(=O)OC)c21 65372827 DQBULKREFLBZIP-LURJTMIESA-N 290.283 0.282 0 50 CCAA Cc1nc(CCN)cc(NCc2csc(N)n2)n1 67805706 XQAKYZBCQIBMOQ-UHFFFAOYSA-N 264.358 0.937 0 50 CCAA O=C(NCCCc1nc(O)n[nH]1)c1ccc2cncn2c1 354328781 CMIGZIUNCWNLNN-UHFFFAOYSA-N 286.295 0.521 0 50 CCAA CCOc1ncccc1CN1C[C@H](C(=O)O)CC1=O 65425592 GWAUVFCOTRIEFW-SNVBAGLBSA-N 264.281 0.913 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1 267487 MICBDQHPLNZBLY-ZETCQYMHSA-N 286.309 0.396 0 50 CCAA biogenic Cn1cnc(S(=O)(=O)N2CCC3(CCCO3)CC2)c1 72140109 VCAOOYZGIKXXIM-UHFFFAOYSA-N 285.369 0.754 0 50 CCAA CN(C[C@@H]1CCCN1C)C(=O)N[C@@H]1CC[C@H](CN)C1 333229538 BRWSGHOEUACFSX-XQQFMLRXSA-N 268.405 0.849 0 50 CCAA Cc1nc([C@@H](C)Nc2cc(C3CC(N)C3)nc(N)n2)n[nH]1 218813327 ZHGIGOMBJIRJDF-KXNKJCORSA-N 288.359 0.863 0 50 CCAA Cc1nc2ccccn2c1C(=O)N[C@@H]1CCOC[C@H]1O 219938731 XFXJKCRHQANZCM-GHMZBOCLSA-N 275.308 0.522 0 50 CCAA O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 239654534 BOGFZZAHJJHPMW-LDMBFOFVSA-N 291.351 0.479 0 50 CCAA NC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H]1COc2ccccc21 241338573 MBXNLQGCFNPQIR-GRYCIOLGSA-N 274.320 0.933 0 50 CCAA CC(C)OC(=O)[C@H]1[C@H]2O[C@@H]3C=C[C@@H](O)[C@@H](C[C@@H]2O)[C@@H]31 222099973 MKDLWWZQFRZOGY-FCHWPNNZSA-N 268.309 0.249 0 50 CCAA O=C(O)CCN1CCN(C(=O)CSCC2CC2)CC1 426633795 FVMRGSOWVNSTMM-UHFFFAOYSA-N 286.397 0.749 0 50 CCAA Cc1nc2c(c(=O)n1C)CN(C(=O)[C@]1(C)CCCO1)C2 426490446 HMBJPMUXXHFDMG-AWEZNQCLSA-N 277.324 0.500 0 50 CCAA CC(C)(C)OC(=O)N[C@H](CC1CCC1)[C@@H](O)C(N)=O 40435116 KCDNFVJMBIUAFE-NXEZZACHSA-N 272.345 0.916 0 50 CCAA in-vitro CNC(=O)c1n[nH]c(-c2ccc(OC)cc2OC)n1 426423763 RQNNSTFYWXQWAR-UHFFFAOYSA-N 262.269 0.849 0 50 CCAA CN1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)CC1=O 238316495 JCWVJGRONWQGDE-ZETCQYMHSA-N 258.274 0.149 0 50 CCAA Cc1n[nH]c(CCNC(=O)CC[C@@H]2CCCN(C)C2)n1 95369775 SRNIVCCVEIGPAJ-LBPRGKRZSA-N 279.388 0.894 0 50 CCAA CC(=O)NCCNC(=O)c1cccc(-c2cn[nH]c2)c1 96163684 YZPDJUOOFSKFAJ-UHFFFAOYSA-N 272.308 0.943 0 50 CCAA CSCC(=O)N1CCC2(CC1)OCCC[C@@H]2O 91830998 RQBDAVQIXLKDEW-JTQLQIEISA-N 259.371 0.882 0 50 CCAA CCOC(=O)N1CCN(C(=O)CCc2nncn2C)CC1 97402349 CXACTEPHAISDCU-UHFFFAOYSA-N 295.343 0.048 0 50 CCAA NC(=O)C1CCN(C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)CC1 238851106 FCAWNOASBGEFJM-NNYUYHANSA-N 292.335 0.233 0 50 CCAA O=C(Cc1[nH]nc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 144366203 MVCLGPKJMSGQBN-SECBINFHSA-N 293.348 0.409 0 50 CCAA CC[C@H]1CN(c2nc(N)c(C(=O)OC)nc2Cl)CCN1 144953898 UGDJLBPSYCEDDR-ZETCQYMHSA-N 299.762 0.687 0 50 CCAA O=C(NC[C@H]1CCCN1)c1cc(-c2ccccn2)[nH]n1 97463603 YXNFLXKHBDITKQ-SNVBAGLBSA-N 271.324 0.954 0 50 CCAA O=C(COc1ccc(F)cc1F)NCCN1CCNC1=O 91780496 KXXVRUZPTZOEEM-UHFFFAOYSA-N 299.277 0.485 0 50 CCAA O[C@H]1C[C@@H](c2cc(N3CC(n4cccn4)C3)ncn2)C1 244900237 ZYJZAZWMUAQGEL-KLPPZKSPSA-N 271.324 0.973 0 50 CCAA CN(C)[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1)c1ccc(F)cc1 299750575 NYJVUNQXWJTULM-MELADBBJSA-N 295.358 0.267 0 50 CCAA CCOC(=O)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 252694462 LAXAYRLYGGRLHS-URLYPYJESA-N 259.261 0.985 0 50 CCAA Cc1ncc2c(n1)CC[C@H](NC[C@@H](O)CN1CCCC1)C2 629554462 IDRBPNGTYLLUIE-LSDHHAIUSA-N 290.411 0.689 0 50 CCAA O=C(NCC1(Cn2cccn2)CC1)N1CCC[C@@H]1CO 534672304 XEWWKOFZWQIZHD-GFCCVEGCSA-N 278.356 0.830 0 50 CCAA CC1CCN(C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)CC1 1940194998 HOAZTPFOMWPLLQ-BFHYXJOUSA-N 294.395 0.911 0 50 CCAA COCCN1C[C@@H](CNC(=O)C(=O)c2ccco2)CC1=O 299763573 OUXSMMGHNDXMLL-SNVBAGLBSA-N 294.307 0.073 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1 299794550 KKPNJNMKBVTERV-SFYZADRCSA-N 254.311 0.381 0 50 CCAA COc1nc(NC2CCS(=O)(=O)CC2)ncc1F 824845433 MYWZWNVZYXDLGF-UHFFFAOYSA-N 275.305 0.613 0 50 CCAA NC(=O)CN1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1 826838836 VGDBWMMMMSSAKT-JTQLQIEISA-N 289.326 0.441 0 50 CCAA CCOC[C@H](O)CNC(=O)C1CCN(C(=O)CC)CC1 823315636 KDXVTBOAMFZWKM-GFCCVEGCSA-N 286.372 0.149 0 50 CCAA CCOCCc1nc(CC(N)=O)nn1-c1cccnc1 823334436 XHYSVDSUYXAIKG-UHFFFAOYSA-N 275.312 0.269 0 50 CCAA CCN1CC[C@@H](CN(C)C(=O)CN(C)CCOC)C1 584884671 QXXYIYDHDRGQJS-ZDUSSCGKSA-N 271.405 0.365 0 50 CCAA NC(=O)c1cc(NC(=O)c2ccn3c(O)nnc3c2)c[nH]1 1875337400 UCAGZECVNLTYDB-UHFFFAOYSA-N 286.251 0.114 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CC[C@H](C(=O)OC)C2)CC1 1875370621 WCMNTWJYOLCADX-LBPRGKRZSA-N 294.351 0.433 0 50 CCAA COC[C@@](C)(NC(=O)c1ccc(C(=O)O)cc1F)C(N)=O 1875262364 KWTLFAYUGUGZRW-CYBMUJFWSA-N 298.270 0.144 0 50 CCAA O=C(O)c1csc(N2CCN(C(=O)C3CC3)CC2)n1 1875277365 HPFZZPXSYQYFNQ-UHFFFAOYSA-N 281.337 0.900 0 50 CCAA Cc1cc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)n[nH]1 1775960895 WNJCDYGFUPHKOS-GHMZBOCLSA-N 288.273 0.990 0 50 CCAA C[C@H]1CN(Cn2nnc3ccccc3c2=O)C[C@H](C)O1 19938958 IDHLJCLDIBQKOV-QWRGUYRKSA-N 274.324 0.858 0 50 CCAA Cn1c(CCNC(=O)C(=O)O)nc2c(F)cccc21 274133034 FNXIPJMCUMKADQ-UHFFFAOYSA-N 265.244 0.456 0 50 CCAA COC(=O)N1CC[C@@H](NS(=O)(=O)CC(C)C)C1 170642474 QRAQZJFOHUVWLH-SECBINFHSA-N 264.347 0.403 0 50 CCAA Cn1ccnc(N2CC(C)(C)O[C@@]3(CCOC3)C2)c1=O 280213528 KGVMVLWCCMSQSX-AWEZNQCLSA-N 279.340 0.555 0 50 CCAA CC(C)N1C[C@@H](C)[C@@H](NCc2cc(C(=O)O)nn2C)C1 635307261 KLKPXFMVBGDRAQ-MFKMUULPSA-N 280.372 0.937 0 50 CCAA N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCCC2)C1 223424528 MRYGAGWFFATSJE-FRRDWIJNSA-N 251.374 0.811 0 50 CCAA Cn1cc(C(=O)N2CCCc3n[nH]cc3C2)nc1O 708419844 MTJKLGWDTIEHFZ-UHFFFAOYSA-N 261.285 0.437 0 50 CCAA O=C(NCC(=O)N1CC2(CCOCC2)C1)c1cccnc1 647615415 HRDMWMDGKAFGIW-UHFFFAOYSA-N 289.335 0.450 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)CN(C)C(C)C 195311285 XKVVCTFAIDKNIK-NSHDSACASA-N 255.362 0.454 0 50 CCAA Cc1cc(Cn2cc(COc3ncccn3)nn2)no1 656445453 IHOGLVOZNQQDDH-UHFFFAOYSA-N 272.268 0.992 0 50 CCAA C[C@H](CNC(=O)c1cnn2c1CCC2)N1CCCCC1=O 579674529 XBFKJAJJQPPBQG-LLVKDONJSA-N 290.367 0.960 0 50 CCAA Cc1cc(CN2C[C@H](O)C[C@H]2C(N)=O)ccc1F 585117183 TXLFZQDKTKYODK-PWSUYJOCSA-N 252.289 0.555 0 50 CCAA Cc1cnc(C)c(NC[C@H]2CN(C)C(=O)CO2)n1 1506396061 BCTCTMKYTSUGIR-JTQLQIEISA-N 250.302 0.363 0 50 CCAA CCCCS(=O)(=O)N1CC(=O)N(CC(F)(F)F)C1 331103878 HPIUBXLZJZWLGD-UHFFFAOYSA-N 288.291 0.780 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@H]1C(=O)O 262085405 FVCGJDPJQXOUEG-AXFHLTTASA-N 271.313 0.646 0 50 CCAA CCn1ncc(CNC(=O)[C@@H]2C[C@@H]3C[C@@H](N)[C@@H]3C2)n1 1615545775 IVOHWYMNZFLZNC-CNVPUSNMSA-N 263.345 0.288 0 50 CCAA CN1CC[C@@H]2CN(CC3COCCOC3)C[C@@H]2C1=O 1772814260 QGEOPIFUMHPLIY-OLZOCXBDSA-N 268.357 0.060 0 50 CCAA C[C@H]1CN2C[C@@H](NC(=O)CCc3cnccn3)C[C@H]2CO1 1857719041 BKRHJDSHUULSBC-UBHSHLNASA-N 290.367 0.387 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@H]1c1ncon1 407981895 VXXREMPHJLFBFR-SNVBAGLBSA-N 291.311 0.634 0 50 CCAA CCn1ccc(C(=O)N2CC[C@@](O)(CC)[C@@H](O)C2)cc1=O 216863199 GFRMMJSDSLKOKG-WFASDCNBSA-N 294.351 0.216 0 50 CCAA COc1ccc(C(C)(C)C(=O)N[C@H]2CNC(=O)C2)cc1 330727065 FXYONCRYVIXYIF-LLVKDONJSA-N 276.336 0.978 0 50 CCAA COC(=O)c1ccc(C(=O)OCc2nc(O)n[nH]2)c(F)c1 772545874 IVCYVCATGFAXRX-UHFFFAOYSA-N 295.226 0.793 0 50 CCAA CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)NC(N)=O)C2=O 263676258 LBQHGZJGYYCJJK-RMLUDKJBSA-N 295.339 0.383 0 50 CCAA O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1C[C@H]2C=C[C@H]1C2 264787397 ATQNHHQOEHJQEQ-FIQHERPVSA-N 258.325 0.921 0 50 CCAA Cc1nccc(NC2CCN(CC(=O)N(C)C)CC2)n1 266457491 YDCKIWMPRJRVHL-UHFFFAOYSA-N 277.372 0.750 0 50 CCAA CN(C)C(=O)[C@@H]1CCCN1C(=O)c1nccn2ccnc12 266825886 LMZPFKGZIVHROK-JTQLQIEISA-N 287.323 0.422 0 50 CCAA Cc1cc(C)n(CCN2CCN(c3n[nH]c(C)n3)CC2)n1 931626976 WCYVKAAYIGTJFU-UHFFFAOYSA-N 289.387 0.749 0 50 CCAA Cc1cc(F)cc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c1 225487767 KMHITCVSUCYDTC-CQSZACIVSA-N 280.299 0.587 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)[C@H]1CN 156949414 MPKUHONBWMSGFC-UTUOFQBUSA-N 282.388 0.363 0 50 CCAA C[C@H](C(=O)O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 263567300 XJRINQWCYGMUGS-QEYWKRMJSA-N 253.298 0.781 0 50 CCAA O=C(c1ccc(=O)[nH]c1)N1CCO[C@H](C(F)(F)F)C1 71759111 CZPRJPAIKWFCBM-QMMMGPOBSA-N 276.214 0.778 0 50 CCAA Cc1ncn(C[C@@H](O)CN(C)C2CC2)c(=O)c1C 331837416 KIIZWGUXMRGYED-LBPRGKRZSA-N 251.330 0.315 0 50 CCAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1coc2c1[C@@H](O)CCC2 2325779193 NWXYXJKTLKIGLP-SCZZXKLOSA-N 297.332 0.690 0 50 CCAA Cc1cnc(COCC(=O)N2C[C@@H]3COCC[C@]3(N)C2)o1 2325809207 PXRJLRAVEJCIDK-RISCZKNCSA-N 295.339 0.076 0 50 CCAA O=C(NN1C(=O)c2ccccc2C1=O)c1ccn[nH]1 223819 RDERVCHSYSAUEN-UHFFFAOYSA-N 256.221 0.351 0 50 CCAA Cc1cc(=O)n(C)c(=O)n1CCN1CCCCC1 392129 NWNCCANOLFTMGN-UHFFFAOYSA-N 251.330 0.341 0 50 CCAA O=S1(=O)CC[C@@H](NC(=S)NCc2ccccc2)C1 3072010 RHVBYESZCUWSJL-LLVKDONJSA-N 284.406 0.838 0 50 CCAA NS(=O)(=O)c1ccc(NC2=NC(=O)CS2)cc1 3903674 RWMDQWYQDKEGBG-UHFFFAOYSA-N 271.323 0.375 0 50 CCAA CCOC(=O)N1CCN(C(=S)NCCOC)CC1 8828860 ULSVSRZYEKSDJF-UHFFFAOYSA-N 275.374 0.281 0 50 CCAA Cc1csc(CN(C)C(=O)[C@H](C)NS(C)(=O)=O)n1 118523129 ASUKAZOEIHTKEX-QMMMGPOBSA-N 291.398 0.348 0 50 CCAA COC[C@H](C)C(=O)N1CCC(c2ccnn2CCO)CC1 135350846 JIFRFXICKKHNRU-LBPRGKRZSA-N 295.383 0.864 0 50 CCAA O=C(O)Cn1nnnc1COc1ccc(Cl)cc1 62467563 DEMUAFWUGNXYGN-UHFFFAOYSA-N 268.660 0.990 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)Cc1csc(C)n1 65528191 YTZXJJDLPGWTIQ-QWRGUYRKSA-N 270.354 0.914 0 50 CCAA COc1cc(CN2CCN(CCO)CC2)cc2c1OCO2 22585290 MGOVUMQFLPNYFD-UHFFFAOYSA-N 294.351 0.534 0 50 CCAA O=C(Nc1ccccc1)C(=O)N1CCC[C@](F)(CO)C1 253420324 QAEFDPXVRFLFRU-CQSZACIVSA-N 280.299 0.948 0 50 CCAA CC(C)(C)c1noc(Cn2cc(C(N)=O)nn2)n1 853678527 KGPPNXICHWBBAR-UHFFFAOYSA-N 250.262 0.106 0 50 CCAA CCCc1n[nH]c([C@@H]2CN([C@H]3C[C@@H](C)OC3=O)CCO2)n1 257366193 MRMJXHPGQSICRV-VWYCJHECSA-N 294.355 0.835 0 50 CCAA O=C(O)[C@H]1COCCN1Cc1cn(-c2ccccc2)nn1 215001189 HAWKWNSRSZERCC-CYBMUJFWSA-N 288.307 0.553 0 50 CCAA CC[C@@]1(O)CCN(CCCn2cc(C)cn2)C[C@H]1O 72434755 LGTKOYBWSWHIDS-ZIAGYGMSSA-N 267.373 0.789 0 50 CCAA O=C(CCCn1cncn1)N1CCc2[nH]ncc2C1 216140333 LKRPTWJEIIAAQE-UHFFFAOYSA-N 260.301 0.366 0 50 CCAA C[C@H](CN(C(=O)c1ccc(C(N)=O)cn1)C1CC1)C(=O)O 262278693 ZEIFXKUXTPVDEE-MRVPVSSYSA-N 291.307 0.506 0 50 CCAA CS(=O)(=O)c1nccn1C[C@@H](O)C(F)(F)F 158350038 JJJXJAWNGYLWEC-RXMQYKEDSA-N 258.221 0.210 0 50 CCAA O[C@@]1(CN2CCN(Cc3ccccc3F)CC2)CCNC1 77287268 CDDURMDJUROFTG-INIZCTEOSA-N 293.386 0.668 0 50 CCAA Cc1nccn1[C@H](C)CN1C(=O)NC2(CCNCC2)C1=O 77424948 LCTQARVSBLUGRD-SNVBAGLBSA-N 291.355 0.427 0 50 CCAA CN(C(=O)Cc1c[nH]c2ncccc12)[C@@H]1COC[C@H]1O 287380066 RBAMGKBESUHILU-VXGBXAGGSA-N 275.308 0.324 0 50 CCAA CSc1ncc(C(=O)NCc2nnc(C)o2)cn1 221192728 COAJVZRMDBEHQB-UHFFFAOYSA-N 265.298 0.820 0 50 CCAA Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc[nH]c(=O)c1 177482129 LYZOIKUBLODXKR-MRVPVSSYSA-N 260.297 0.908 0 50 CCAA Cc1noc(C)c1CCCNC(=O)[C@@H]1COC(=O)N1 426490998 BXGZIFVYDNRGKK-JTQLQIEISA-N 267.285 0.449 0 50 CCAA Cc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)s1 223433869 XONLJJLZSQIDJZ-RYUDHWBXSA-N 296.392 0.886 0 50 CCAA NC(=O)c1cc(I)cnc1N 95935076 TYXQDGLQDJGPPI-UHFFFAOYSA-N 263.038 0.367 0 50 CCAA CNC(=O)c1nc(Cn2sc3ccccc3c2=O)no1 95387093 YXBXSIHTXSWCIG-UHFFFAOYSA-N 290.304 0.854 0 50 CCAA CCCc1ncncc1C(=O)NC[C@H]1CNCCO1 97744712 DFDVMAOQVFGQMX-SNVBAGLBSA-N 264.329 0.147 0 50 CCAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cnn[nH]1 244594267 DJLSUDATFNLSTG-VDDIYKPWSA-N 273.296 0.442 0 50 CCAA COc1c2c(c(OC)c3nc(O)c(O)nc13)OCO2 253496388 DIRXZVNEYODDPQ-UHFFFAOYSA-N 266.209 0.787 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)C1 299738589 CMVRSGPUYMJGGH-UMSGYPCISA-N 268.357 0.520 0 50 CCAA Cc1nc2c([nH]1)CN(C(=O)NC[C@H](C)N(C)C)CC2 534587771 AVXSUJMRLOBKBK-VIFPVBQESA-N 265.361 0.736 0 50 CCAA CC(C)NC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O 263585253 GTFBOEGVNOMWHT-JTQLQIEISA-N 279.296 0.615 0 50 CCAA biogenic CN(C)CCN1CCC(NC(=O)c2csc(N)n2)CC1 299799755 RTFVTGGELBRPKM-UHFFFAOYSA-N 297.428 0.481 0 50 CCAA Cc1nn(C)c(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1Cl 299763981 ZVOQUYZWCKSYQA-QMMMGPOBSA-N 298.730 0.659 0 50 CCAA CC(C)N1CCO[C@H](CC(=O)NCc2csc(N)n2)C1 821758522 GQOZQQOFFXBRKF-LLVKDONJSA-N 298.412 0.841 0 50 CCAA O=C(CS(=O)(=O)NCCCCO)c1ccccc1 725375042 CGGTUFQELRREOR-UHFFFAOYSA-N 271.338 0.561 0 50 CCAA C[C@H](CNC(=O)[C@H](O)C(C)(C)N)Oc1ccccc1 1875308440 GNLJTUBRDTZKBX-PWSUYJOCSA-N 266.341 0.668 0 50 CCAA CCCN1C[C@H](NC(=O)c2cc(C)nc(O)c2)CC1=O 822919215 SOXDXNVYBOEPLJ-LLVKDONJSA-N 277.324 0.836 0 50 CCAA COCCc1noc([C@@H](C)NC(=O)Cn2cccn2)n1 584901136 HFBRIMRXQYSUOH-SECBINFHSA-N 279.300 0.332 0 50 CCAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)O[C@H]1CNOC1 585137078 HFLXCKPLCABXRM-KBPBESRZSA-N 291.351 0.891 0 50 CCAA CCNC(=O)[C@@H]1CCN(Cc2cnc(CCOC)nc2)C1 824462298 AIXNSSPQJLPGSJ-CYBMUJFWSA-N 292.383 0.624 0 50 CCAA O=C(CCCN1CCCC1)N1CCN(CCCCO)CC1 584896981 NYLCUFNIMKVIBB-UHFFFAOYSA-N 297.443 0.779 0 50 CCAA CC[C@H](C(=O)O)C(=O)N1CCN(C(=O)C2CC2)CC1(C)C 585134300 MCQCEKSVPRVYFO-NSHDSACASA-N 296.367 0.957 0 50 CCAA CCC1=NO[C@H](C(=O)N(C)CCCN2CCOCC2)C1 584886101 MRISSKOAMVPKRQ-ZDUSSCGKSA-N 283.372 0.722 0 50 CCAA O=C(Nc1cnc2[nH]ncc2c1)[C@]12CNC[C@H]1CCOC2 1775838097 FDOXHGMLNKSPIA-YGRLFVJLSA-N 287.323 0.523 0 50 CCAA CN1[C@H]2CC[C@@H]1CCN(C(=O)c1cn3c(n1)CNCC3)C2 75918548 DMMMIAOLOOCKEK-NEPJUHHUSA-N 289.383 0.295 0 50 CCAA CCc1ncnc(N2C[C@@H](OC)C[C@H]2C(N)=O)c1F 514620222 LXELOZGRDKHBBP-CBAPKCEASA-N 268.292 0.257 0 50 CCAA COC(=O)c1ccc(S(=O)(=O)N2CC(C)(O)C2)c(C)c1 170619726 KVLABKLLORFOSP-UHFFFAOYSA-N 299.348 0.537 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)nc(C)n1 408197328 HVIFNZRXFDLLNJ-DYLAAIIWSA-N 288.351 0.833 0 50 CCAA O=C(c1ccc2c(c1)COB2O)N1CCCc2n[nH]cc2C1 585010949 VBCQPTXIFVWILC-UHFFFAOYSA-N 297.123 0.216 0 50 CCAA CC(C)N(C(=O)CN1CCCNC(=O)[C@@H]1C)C(C)C 189300876 SFMIEZNJXBLNCL-LBPRGKRZSA-N 269.389 0.842 0 50 CCAA COC(=O)[C@@H](C)N(Cc1ncnn1C)C1CCC1 190091786 QPKNNAJGZBEHOU-SECBINFHSA-N 252.318 0.731 0 50 CCAA NC(=O)c1ccc(C(=O)N2C[C@H]3C[C@H](O)C[C@H]2C3)cc1 710148663 OZIOYGAPQFKMIU-WQAKAFBOSA-N 274.320 0.771 0 50 CCAA CC[C@H](COC)NC(=O)N1CCN(C(=O)C2CC2)C1 566731412 XRKOMUREVYPWGR-LLVKDONJSA-N 269.345 0.633 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCCC[C@H]1CO 911952169 LDZSXWLURGGOIA-NSHDSACASA-N 254.330 0.442 0 50 CCAA CN(CC1(N2CCCCC2)CCCCC1)C(=O)[C@@H](N)CO 1506405442 MIYKFGFNWJGARZ-AWEZNQCLSA-N 297.443 0.953 0 50 CCAA CC(C)c1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)nn1 1506399695 PWIXDUZHNRWYPQ-RYUDHWBXSA-N 250.346 0.711 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CCCN[C@H]1C 420427397 KKUAKGYZYVWPMT-VHSXEESVSA-N 272.374 0.147 0 50 CCAA Cc1n[nH]c(C)c1CN1C[C@H]2[C@H](C1)C2(CO)CO 1772700446 AYJYJAZIJRSPPY-RYUDHWBXSA-N 251.330 0.059 0 50 CCAA O=C(CSc1ccccn1)N1CCc2nncn2CC1 12125200 FMMYSHAFQCEPAH-UHFFFAOYSA-N 289.364 0.850 0 50 CCAA COc1ccc([C@@H](C(N)=O)N2CCOCC2)cc1 19865267 UWDSSTLGCJFDOH-LBPRGKRZSA-N 250.298 0.554 0 50 CCAA Cc1c(C(=O)N2C[C@@H](N)C[C@@H](O)C2)[nH]c2c1C(=O)CCC2 1857679282 RTODOQRCNIEJEC-VHSXEESVSA-N 291.351 0.376 0 50 CCAA Cc1nn(C)c2c1[C@H](NC(=O)c1coc(CN)n1)CCC2 1857679948 BRNVYRYGDCRRFP-SECBINFHSA-N 289.339 0.983 0 50 CCAA O=C(Nc1nnc(-c2cnccn2)o1)C1CCOCC1 1857711815 FYEDWIXMYVUCHK-UHFFFAOYSA-N 275.268 0.892 0 50 CCAA Cc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc1C 1875250451 ZUXDXAJSLNBDQR-REWJHTLYSA-N 277.320 0.560 0 50 CCAA CCCN(C(=O)c1ccncc1)[C@H]1CC(=O)N(C)C1=O 241316946 LWHLZWXTHFGFFT-NSHDSACASA-N 275.308 0.691 0 50 CCAA CC(=O)N1CC(NC(=O)[C@]2(O)CCc3ccccc3C2)C1 375077754 ASMIRIQLNAOOET-INIZCTEOSA-N 288.347 0.253 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 263327839 PEOFIZLLTCVVEO-UTUOFQBUSA-N 294.351 0.614 0 50 CCAA COc1cc(C(=O)NC[C@@H]2CCCN2CCCO)ncn1 820989889 DAWZPHMKSGZRCN-NSHDSACASA-N 294.355 0.062 0 50 CCAA Cc1cc(O)nc(N2CCN(CCOC3CC3)CC2)n1 931746480 DYQGWMUPOWUODW-UHFFFAOYSA-N 278.356 0.792 0 50 CCAA O=C1NC(=O)[C@@]2(CCCN(C(=O)c3ccc(Cl)o3)C2)N1 168043724 RQVAAQDHJZWGEM-LBPRGKRZSA-N 297.698 0.747 0 50 CCAA Cc1cc(C(=O)NCC2(CO)CCC2)cc(O)n1 182307376 YQOILFLWMLOXFV-UHFFFAOYSA-N 250.298 0.988 0 50 CCAA CN1CCC(C)(C(=O)NCCc2c[nH]cn2)CC1 97514384 SFDKKWWIOKKCLQ-UHFFFAOYSA-N 250.346 0.800 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2n[nH]c(C)c2C1 670459778 GESUMNGAJPOJTH-UHFFFAOYSA-N 295.368 0.805 0 50 CCAA OC[C@@H]1CN(c2ncnc3sccc23)CC[C@@H]1O 396813498 SXXAYPISBNRDBN-WPRPVWTQSA-N 265.338 0.871 0 50 CCAA CN1CC2(C1)CN(Cc1ccc(S(C)(=O)=O)cc1)C2 1137734959 ZTPGQISDKOUCFB-UHFFFAOYSA-N 280.393 0.838 0 50 CCAA CNc1cc(C(=O)N[C@H]2CN(C)C[C@@H]2OC)ccn1 534676747 PKIFYZBKRYMRRV-QWRGUYRKSA-N 264.329 0.182 0 50 CCAA CC(C)c1nc([C@@H]2CN(CC3OCCO3)CCO2)n[nH]1 2325726956 BACKSIUIALSCOK-JTQLQIEISA-N 282.344 0.674 0 50 CCAA N[C@H]1CCN(C(=O)CCc2cc[nH]n2)CCC1(F)F 2325778798 PULHXGAYVVVTFY-JTQLQIEISA-N 272.299 0.927 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@H](C)O)cc1 188457 SZILOGOOPIXJAQ-WCBMZHEXSA-N 273.310 0.107 0 50 CCAA O=C1O[C@@H](N2C(=O)CC[C@@H]2C(=O)O)c2ccccc21 488878 BBYDVCBRFNLCJZ-MWLCHTKSSA-N 261.233 0.931 0 50 CCAA COc1ccc(Cl)cc1NC(=O)C(=O)NCCO 4671991 CTMJHBJDNWFRCF-UHFFFAOYSA-N 272.688 0.396 0 50 CCAA CCn1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cn1 6741472 FHZXWPAHZSKREM-LLVKDONJSA-N 284.385 0.372 0 50 CCAA CCn1c(=O)c2cc(OC)c(OC)cc2n(C)c1=O 6756405 KTMCRAGTPZEWBN-UHFFFAOYSA-N 264.281 0.737 0 50 CCAA CCN(CC)C(=O)CN1C(=O)[C@H]2CC(=O)CC[C@H]2C1=O 100505538 HCVODTZKOAMLJM-MNOVXSKESA-N 280.324 0.209 0 50 CCAA CN1CCC(CC(=O)NC2CCN(C)CC2)CC1 346872289 XLWXJJNDCXHJLO-UHFFFAOYSA-N 253.390 0.929 0 50 CCAA Cc1cnc(CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cn1 65461668 LWIPLWGTIDVVAI-GFCCVEGCSA-N 290.367 0.906 0 50 CCAA COC[C@H](CCO)N=c1[nH]ccn2c(C(C)C)nnc12 357497836 BHSKCIKFBPYNIO-JTQLQIEISA-N 279.344 0.479 0 50 CCAA C[C@H]1CCCN(C(=O)c2cncn2C)[C@@H]1C(=O)O 235638944 YOYQENRZEAYBLS-WPRPVWTQSA-N 251.286 0.745 0 50 CCAA O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1C[C@H](F)CN1 214957560 OUHZUMWNJVULPD-QWRGUYRKSA-N 280.299 0.774 0 50 CCAA Cn1nnc(CNS(=O)(=O)c2ccc3c(c2)CCC3)n1 330192288 XTKPACXCKKXGKC-UHFFFAOYSA-N 293.352 0.177 0 50 CCAA NS(=O)(=O)c1ccc(CN2CCC=C(F)C2)o1 606444850 IGSFXNCOPUAISI-UHFFFAOYSA-N 260.290 0.986 0 50 CCAA CC[C@H](C)N(CC(=O)O)C(=O)[C@@H]1CN(CC)CCO1 236909860 IRRINZGPPFKYSP-QWRGUYRKSA-N 272.345 0.419 0 50 CCAA CSc1nc(C(=O)N[C@@H](C)c2nc(=O)[nH][nH]2)cs1 215209181 IEKDNNXGQYLPLO-BYPYZUCNSA-N 285.354 0.767 0 50 CCAA CN(CCCc1nccn1C)C[C@]1(O)CCCNC1 72479274 HMCMFLZSXLZSEH-AWEZNQCLSA-N 266.389 0.399 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1n[nH]c2ccccc12 72423990 ZCKGIMXPDKQLOO-VIFPVBQESA-N 289.291 0.879 0 50 CCAA O=C1CN(C(=O)CCCC(=O)Nc2nccs2)CCN1 40267260 ILOBIGYEPVRMLF-UHFFFAOYSA-N 296.352 0.210 0 50 CCAA O=C([C@H]1CCS(=O)(=O)C1)N1CC(c2ccncc2)C1 426551969 KMPQAHOIQLYJTC-NSHDSACASA-N 280.349 0.442 0 50 CCAA Cc1nsc(N2CCN(C(=O)Nc3cn[nH]c3)CC2)n1 178362927 USMVOCQBSDPLNH-UHFFFAOYSA-N 293.356 0.924 0 50 CCAA O=C(c1ccc(O)cn1)N1CCN(CCCCO)CC1 220620705 FKWFJXHACFKTRO-UHFFFAOYSA-N 279.340 0.318 0 50 CCAA CNCc1nnc(SCCc2cnn(C)c2)n1C 426689357 YKCMLVJIFSXWQH-UHFFFAOYSA-N 266.374 0.603 0 50 CCAA C[C@@H](Cn1cncn1)NC(=O)CN1CCCCCC1=O 222641026 FRBSWRGMCLECQC-NSHDSACASA-N 279.344 0.185 0 50 CCAA CCNS(=O)(=O)[C@H]1CCN([C@@H](C)c2nnc(C)o2)C1 179451487 HMCSALQZONSMPV-WPRPVWTQSA-N 288.373 0.453 0 50 CCAA Cc1noc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 95362063 FJDHSVICEPXXFE-MRVPVSSYSA-N 282.325 0.773 0 50 CCAA CS(=O)(=O)c1ncc(Br)c(N)n1 95830996 QMDXZZOONBDILU-UHFFFAOYSA-N 252.093 0.225 0 50 CCAA CN(CCC(=O)O)C(=O)Cc1ccc(-n2cnnn2)cc1 237222088 BAJNWXCEWYSHJQ-UHFFFAOYSA-N 289.295 0.138 0 50 CCAA Cc1cc(CN(C)C(=O)CN2CCOC2=O)n(C)n1 95498283 PQTBMGUKFYBFCU-UHFFFAOYSA-N 266.301 0.139 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1c[nH]c2cccnc12 622003836 GKBPNBQJHWIAIN-SCZZXKLOSA-N 272.308 0.960 0 50 CCAA Cc1nnc(N2CCC[C@](O)(CN(C)C)CC2)o1 95380673 NBTFCYXPCVNLGC-GFCCVEGCSA-N 254.334 0.661 0 50 CCAA CS[C@@H](C)C(=O)N(CC(=O)O)C1CCOCC1 299750464 NMYHUCWHIHERLY-QMMMGPOBSA-N 261.343 0.830 0 50 CCAA COC(=O)CC1CCN(C(=O)CCCn2cnnn2)CC1 524735656 QGAUGZNRFSAWAO-UHFFFAOYSA-N 295.343 0.255 0 50 CCAA O=C(CN1CCC[C@H](O)C1)NCC1(CO)CCCC1 534663497 VZMNWBWDXBIYHE-LBPRGKRZSA-N 270.373 0.112 0 50 CCAA COc1cc(OC)nc(N(C)CC2(C)COC2)n1 624528217 JKLVTAXIWFTUKZ-UHFFFAOYSA-N 253.302 0.967 0 50 CCAA Cc1cc(C(=O)NCc2nnc3n2CCNCC3)c(C)o1 299778321 QHIILTWIBBHHHL-UHFFFAOYSA-N 289.339 0.564 0 50 CCAA CC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 380408236 MTVSZWFFNFKVMD-UHFFFAOYSA-N 260.340 0.300 0 50 CCAA CN1CC[C@H](NS(=O)(=O)N(C)Cc2ccccc2)C1=O 823724805 ZJKIJMPCUFPWRF-LBPRGKRZSA-N 297.380 0.184 0 50 CCAA CC(C)c1noc([C@H](C)NC(=O)CCS(C)(=O)=O)n1 827999665 DJTZNKJWOSHIJX-QMMMGPOBSA-N 289.357 0.805 0 50 CCAA COCc1nc(CN2CCCCC2=O)n(CC(C)(C)O)n1 824490808 OUBFLTMQVQCAIK-UHFFFAOYSA-N 296.371 0.708 0 50 CCAA CCCN1C[C@@H](NC(=O)c2cc(C)nc(O)c2)CC1=O 822919216 SOXDXNVYBOEPLJ-NSHDSACASA-N 277.324 0.836 0 50 CCAA CN1CCC2(CC1)CCN(C(=O)CN1CCC[C@H](O)C1)C2 823770292 SBMWGLRBMWZKCA-AWEZNQCLSA-N 295.427 0.387 0 50 CCAA COCC[C@H]1CN(C(=O)C2(Cn3ccnc3)CC2)CCO1 584889229 ITRLICZLSCPPIY-ZDUSSCGKSA-N 293.367 0.927 0 50 CCAA CCCn1cnnc1CN(C)C(=O)CCc1nncn1C 584901353 MTWFSBWFEOHVOY-UHFFFAOYSA-N 291.359 0.408 0 50 CCAA Cc1nncn1CCN1CCC[C@H](C(=O)N2CCCC2)C1 670440262 MRJYABAKUMMQSG-AWEZNQCLSA-N 291.399 0.921 0 50 CCAA COCCN1C[C@@H](CNc2ncccc2C(N)=O)CC1=O 670463519 BUPWBMJDHUFYNX-SNVBAGLBSA-N 292.339 0.087 0 50 CCAA CN(CCCCN1CCOCC1)c1ncccc1C(N)=O 670453907 SDKOKTZIYWKSJO-UHFFFAOYSA-N 292.383 0.729 0 50 CCAA CC(C)c1noc(CCC(=O)N2CCOC[C@H]2C(=O)O)n1 268993861 UTVKSCQOFRIRTC-VIFPVBQESA-N 297.311 0.438 0 50 CCAA O=C1Cc2cc(F)ccc2N1CC(=O)N1CC[C@H]1CO 1875301029 ANHXEDAETLIKOB-NSHDSACASA-N 278.283 0.308 0 50 CCAA Cn1nncc1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952848984 PGENAKLHDIKIHY-GXSJLCMTSA-N 276.300 0.268 0 50 CCAA CCN(CC)[C@H]1CCN(C(=O)N[C@@H]2CN(C)C[C@H]2OC)C1 1875277890 MDWBFGRZPOSUMB-BFHYXJOUSA-N 298.431 0.441 0 50 CCAA CN(Cc1ccc(N(C)C)nc1)C(=O)NC1COC1 1875290904 HXNUYLYPQPXMBM-UHFFFAOYSA-N 264.329 0.688 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cnn(C2CC2)c1N 1875272903 FCHXKMVWASQXMO-NSCUHMNNSA-N 264.285 0.259 0 50 CCAA CCn1ncnc1CNCCN1CCCC[C@@H]1CO 952972480 UXPRFQBKJIHWME-GFCCVEGCSA-N 267.377 0.234 0 50 CCAA CC(=O)NC[C@H]1CN(Cc2c3c(nn2C)CCC3)CCO1 892055094 GCNIPXAEFVYYPG-LBPRGKRZSA-N 292.383 0.246 0 50 CCAA Cn1c(CNc2cc(=O)n(C)c(O)n2)nnc1C1CC1 1775264404 IPCFCEHYWOAKCB-UHFFFAOYSA-N 276.300 0.104 0 50 CCAA Cn1nccc1CN1CCN(CC(=O)NCC2CC2)CC1 1413098505 RSVVVVURBYZGHC-UHFFFAOYSA-N 291.399 0.064 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1565509152 UJBTVWLOJOBXDO-NEPJUHHUSA-N 291.351 0.841 0 50 CCAA CCOc1cc(N2CCc3ncnc(O)c3C2)ncn1 274728041 ZHFYQFKSSDIWHB-UHFFFAOYSA-N 273.296 0.934 0 50 CCAA C[C@@H]1[C@H](C(=O)NCCN2CCCS2(=O)=O)C1(F)F 408231006 KCJCQMABWRCDBV-HTQZYQBOSA-N 282.312 0.039 0 50 CCAA CC(C)[C@@H](C(=O)N1CCO[C@H]([C@H](C)O)C1)N(C)C 408472889 XRLLKDYIKOTYAS-SRVKXCTJSA-N 258.362 0.181 0 50 CCAA C[C@]1(C(=O)O)CCN(C(=O)COCC(F)(F)F)C1 224844916 ZVCRSMFAXZNHIA-VIFPVBQESA-N 269.219 0.889 0 50 CCAA C[C@@H](CS(C)(=O)=O)C(=O)N1CCOCC12CC2 573220399 UIIVHODVWJBHBK-VIFPVBQESA-N 261.343 0.059 0 50 CCAA COc1ncccc1NC(=O)N1Cc2nn(C)c(N)c2C1 585138293 CGHANTTUNKTZQS-UHFFFAOYSA-N 288.311 0.954 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3cncnc3)C[C@H]2O)on1 1529187183 PGGVMPNEWKXONG-TZMCWYRMSA-N 274.324 0.808 0 50 CCAA Cc1ccccc1[C@H]1CN(C(CO)CO)C[C@@H]1C(=O)O 219632793 AIOZDAYORFQKSK-KGLIPLIRSA-N 279.336 0.448 0 50 CCAA COc1cc(O)ncc1C(=O)N[C@@H]1C[C@H](N)C12CCC2 1615554492 LJFMMXUPILMZAW-WDEREUQCSA-N 277.324 0.796 0 50 CCAA C=CS(=O)(=O)CCN1CC(C)(C)O[C@@H]2COC[C@H]21 1615548722 INYDGXFPGDRAHB-GHMZBOCLSA-N 275.370 0.423 0 50 CCAA CO[C@]1(C)C[C@H](NC(=O)[C@H]2CSCN2)C1(C)C 121683415 OWVILKJLRWTDEO-VDDIYKPWSA-N 258.387 0.969 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1ncc(C)o1 643824441 TXSHIBKHMNFOBG-LBPRGKRZSA-N 253.302 0.449 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)C2[C@@H]3CCCC[C@@H]23)CCO1 147381740 DDNGUQQKJWRPII-BBBLOLIVSA-N 253.298 0.735 0 50 CCAA Cc1nc(=NC(=O)c2cnc(-c3ccccn3)nc2)n(C)[nH]1 1641453135 QRUBHXFPMKBVLM-UHFFFAOYSA-N 295.306 0.650 0 50 CCAA COc1ccc(S(=O)(=O)N(C)C)cc1C(N)=O 16623152 VQQLKSXZCXUYOC-UHFFFAOYSA-N 258.299 0.044 0 50 CCAA CN1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 19536944 KZMQDWLWACQZOR-ZDUSSCGKSA-N 273.336 0.566 0 50 CCAA COC(=O)CN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 19774707 JCWOWMQNZUIOCI-JTQLQIEISA-N 280.255 0.220 0 50 CCAA CN1CC[C@H](C(=O)NCc2ccc(C(=O)O)o2)CC1=O 124583435 MGXFTDYGASGJDX-QMMMGPOBSA-N 280.280 0.462 0 50 CCAA CNC(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cn1 262126309 MZOGZKBYWOZXCW-JTQLQIEISA-N 277.280 0.130 0 50 CCAA O=S(=O)(N1CCCC1)N1CCC[C@H](C2(O)CC2)C1 1772812513 KUHCKJSPKHDYJS-NSHDSACASA-N 274.386 0.564 0 50 CCAA C[C@@](O)(CNc1nc(N)nc(N)n1)c1ccc(F)cc1F 858411202 LHTOEADFNQKKPM-GFCCVEGCSA-N 296.281 0.634 0 50 CCAA O=C1NC(=O)[C@]2(CCCN(C(=O)c3ccsc3)C2)N1 168069100 LWQNJEPACNTRLR-GFCCVEGCSA-N 279.321 0.562 0 50 CCAA C[C@@H](C(=O)O)N1CCO[C@](C)(c2cnn(C)c2)C1 262438133 CMINZRQGRXWQFF-CABZTGNLSA-N 253.302 0.441 0 50 CCAA O=C(Nc1ccc(Cl)cc1)N[C@@H]1CNC[C@H]1O 534667000 JONLJHRAYXKTSN-NXEZZACHSA-N 255.705 0.794 0 50 CCAA C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(S(C)(=O)=O)cc1 639848969 KQLASQZGFKBQAS-JSGCOSHPSA-N 299.392 0.408 0 50 CCAA CC[C@@H](NC(=O)c1ccc(C(N)=O)cc1)[C@@H](C)O 387269708 LXULYNGBCHHVCG-LDYMZIIASA-N 250.298 0.675 0 50 CCAA Cn1ncnc1CNC[C@@H](O)c1c(F)cccc1F 389320100 AVJKNVWLOKEPIJ-SNVBAGLBSA-N 268.267 0.917 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@H]1CC(c2ccccn2)=NO1 2325762890 UTBNORNFRKTCEA-BXKDBHETSA-N 277.280 0.411 0 50 CCAA CN(C(=O)N1C[C@H]2CNC[C@H]1C2)C1CCNCC1 2325800814 HDFCLICZKLDAIA-ZYHUDNBSSA-N 252.362 0.084 0 50 CCAA COc1ccccc1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O 70176 HMAOBOKXMQMCFE-UHFFFAOYSA-N 291.263 0.089 0 50 CCAA CCOc1ccc(NC(=O)C(=O)NCCOC)cc1 2900378 VYFWUVRWJJKZEN-UHFFFAOYSA-N 266.297 0.786 0 50 CCAA CC(=O)Oc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 3099993 ZPKBQFLQRSLENI-UHFFFAOYSA-N 289.247 0.241 0 50 CCAA CC(=O)N1CCO[C@H](CNC(=O)c2ccoc2C)C1 67965092 MNXGQOUIMPFBIJ-LLVKDONJSA-N 266.297 0.565 0 50 CCAA COC(=O)c1cnc(NC(=O)[C@@H]2CCOC2)nc1 1851007209 LHBJGEQXDGRFHA-SSDOTTSWSA-N 251.242 0.238 0 50 CCAA CN(C)CCNC(=O)c1c[nH]c(=O)c2ccccc12 146946318 CUURSRJDZYKGPE-UHFFFAOYSA-N 259.309 0.820 0 50 CCAA Cc1ccc([C@H](C(=O)N2CCNC(=O)C2)N(C)C)cc1 65409754 OXCNMOSBGHHRMD-CQSZACIVSA-N 275.352 0.556 0 50 CCAA O=C(NC1CC1)c1noc([C@H]2CCCN2CCO)n1 328633152 LTUCDGSZJPQCKB-SECBINFHSA-N 266.301 0.091 0 50 CCAA Cc1nnc(SCC(=O)N2CCOCC2)n1C 311151 RRXQEVRBXBKLRX-UHFFFAOYSA-N 256.331 0.074 0 50 CCAA COc1coc(C(=O)NCCC2(O)CCC2)cc1=O 329146753 OORFCQMQUUNWFE-UHFFFAOYSA-N 267.281 0.683 0 50 CCAA Cn1nnc(NS(=O)(=O)c2ccc(F)cc2)n1 127180827 APLOZRHDXQSBCY-UHFFFAOYSA-N 257.250 0.150 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@@H](C)N1 153915537 YMIINHOWGYUTAM-GMTAPVOTSA-N 253.346 0.064 0 50 CCAA Cc1ncsc1CCN(C)C(=O)CN1CC(=O)NC1=O 72409376 MTNWJUSEOQAGKT-UHFFFAOYSA-N 296.352 0.004 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1CCN2CCOC[C@@H]2C1 371788075 IDUATEGFMGULNY-LBPRGKRZSA-N 278.356 0.112 0 50 CCAA CCc1nccn1CCC(=O)N1CCOC[C@H](O)C1 77472568 YWZLAMPSCRJHMS-LLVKDONJSA-N 267.329 0.055 0 50 CCAA O=C(C(=O)N1[C@H]2CCNC[C@H]1CC2)N1CCC2(CCC2)C1 335199020 WFQLFZDMPFPRBU-CHWSQXEVSA-N 291.395 0.742 0 50 CCAA CCc1nc(N2CCC3(CC2)CNC(=O)C3)no1 77337635 HZGIIIRNNJWHLP-UHFFFAOYSA-N 250.302 0.739 0 50 CCAA Cc1nc(C2CCN(C(=O)Cc3nonc3C)CC2)n[nH]1 215583705 DDXPTPNEHXYUIA-UHFFFAOYSA-N 290.327 0.753 0 50 CCAA C[C@H]1C[C@H](C(=O)O)CN(C(=O)c2cccc(C(N)=O)c2)C1 263363129 SLDIFACLHXJRGD-CABZTGNLSA-N 290.319 0.968 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)c1cnccn1 223503873 QGHCVRONTXAVDB-SECBINFHSA-N 260.301 0.969 0 50 CCAA CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)O)NC1 381791727 LTAROFVUFUFTCC-DTWKUNHWSA-N 258.318 0.964 0 50 CCAA Cc1cc(C(=O)N2CC=C[C@@H]2C(=O)O)c(=O)n(C)c1C 426492746 FGSFUNQMUDXLTI-LLVKDONJSA-N 276.292 0.467 0 50 CCAA Cc1cccnc1C(=O)NCCc1nnc(N)s1 223921725 PUQKOHPPTIXGLS-UHFFFAOYSA-N 263.326 0.796 0 50 CCAA CCCc1cc(C(=O)N2CC[C@@H](C(=O)NCC)C2)[nH]n1 91650973 RJLDTVBOYYTNIC-SNVBAGLBSA-N 278.356 0.960 0 50 CCAA OC[C@H](O)CN1CC(Oc2cccc(Cl)c2)C1 97360105 VUAGRWOWLHRYTO-SNVBAGLBSA-N 257.717 0.756 0 50 CCAA CCc1ncc(C(=O)NCCSc2ncn[nH]2)cn1 95368296 ANFJVMAQJJHNGH-UHFFFAOYSA-N 278.341 0.679 0 50 CCAA Cc1cc(=O)n(CCN2CCCO[C@@H](C)C2)c(O)n1 253536754 NFNRPFNNDDPDGV-NSHDSACASA-N 267.329 0.368 0 50 CCAA O=C(CN1CCCCCCC1)N[C@@H]1CCNC[C@H]1O 534633542 OOLIWCKAHNWKRN-CHWSQXEVSA-N 269.389 0.092 0 50 CCAA Cc1ccc(CC(=O)N2CCOC[C@@H]2C(=O)O)s1 268992443 SZMVAKGXDBWJMA-SNVBAGLBSA-N 269.322 0.911 0 50 CCAA CNC(=O)c1ccc(CNC(=O)C(C)(C)OC)o1 299760788 KCGOVQGOQAEZMN-UHFFFAOYSA-N 254.286 0.680 0 50 CCAA CN(C)C1(CNC(=O)Nc2cn(C)nn2)CCOCC1 299774679 HKTRLKLEPYTCIU-UHFFFAOYSA-N 282.348 0.047 0 50 CCAA CCCN1CCC(N2C[C@H](N)C[C@H]2C(=O)NC)CC1 299766969 FTTAXYGLIIDHPA-YPMHNXCESA-N 268.405 0.008 0 50 CCAA CC(=O)N1CCCN(C(=O)CN2CCCCCC2)CC1 827939368 YMXLIWNZYCNBFD-UHFFFAOYSA-N 281.400 0.943 0 50 CCAA Cc1nn2c(c1I)CNCC2 725343683 YFNZXBXDCCKCCT-UHFFFAOYSA-N 263.082 0.899 0 50 CCAA Cc1nccn1CC(=O)N[C@H]1COC[C@@H]1N1CCCC1 827861487 LVSWDYKKLCKUNB-STQMWFEESA-N 278.356 0.171 0 50 CCAA Cc1[nH]nc(CCC(=O)N2CCN3C(=O)OC[C@H]3C2)c1C 584897314 OJHICCFWNPEHNS-LLVKDONJSA-N 292.339 0.622 0 50 CCAA OC[C@H]1CCCCN1CCCNc1nc[nH]c2ncnc1-2 670469790 LPUWKPQTLLMWHA-LLVKDONJSA-N 290.371 0.953 0 50 CCAA CN(C)C(=O)[C@H]1CN(c2ncnc3[nH]ccc23)CCO1 670430022 YHKVYMUFOTYOQW-SNVBAGLBSA-N 275.312 0.251 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)c1cccc(Cl)n1 1548448074 JTAHPWYQACXBKY-RKDXNWHRSA-N 255.705 0.452 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NC1COC1 1875314064 FXQRKBXXLJLDPS-SFYZADRCSA-N 265.313 0.571 0 50 CCAA Cc1ncc(CN2CC[C@@H](N3C[C@H](C(=O)O)CC3=O)C2)[nH]1 1875354170 BVZVIXLIGGNBNS-ZYHUDNBSSA-N 292.339 0.226 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)n1 875681167 PTOHCHYGVBQLTB-CYZMBNFOSA-N 293.371 0.661 0 50 CCAA Cc1c(C(=O)N[C@@H]2CCSC2)nnn1[C@@H]1CCNC1 1875267321 UYADPEFOSUMXBC-NXEZZACHSA-N 281.385 0.356 0 50 CCAA Cc1nc2c([nH]1)C[C@H](N=c1[nH]ccn3c(C)nnc13)CC2 1875288367 YIPSCSYPKWIWMO-SNVBAGLBSA-N 283.339 0.856 0 50 CCAA Cc1cnn(CCC(=O)N[C@@H]2C[C@@]3(C(=O)O)C[C@@H]23)c1 1875292722 QSDNXZIAOZUHTB-CWSCBRNRSA-N 263.297 0.561 0 50 CCAA O=C(N[C@@H]1C[C@H]2C[C@H](C(=O)O)C[C@H]21)c1ccncn1 1875306176 WPPOECOOKMGSSI-PKIKSRDPSA-N 261.281 0.706 0 50 CCAA O=C(CCC1=NNC(=O)CC1)NCc1n[nH]c2c1CCC2 952988224 MXYJESOYGIEXCA-UHFFFAOYSA-N 289.339 0.561 0 50 CCAA Cn1cc(Cl)c(C(=O)N[C@](C)(CO)CCF)n1 888100502 APIVOJNLGPPUIA-JTQLQIEISA-N 263.700 0.914 0 50 CCAA COCc1nccc(N2C[C@@H](N3CCOCC3)[C@H](C)C2)n1 892854293 BGFNPOPNWYJMNI-CHWSQXEVSA-N 292.383 0.780 0 50 CCAA COCC[C@@H](CO)NC(=O)c1csc(-c2cnc[nH]2)n1 1775987128 BUTWVXPEWBQSDJ-QMMMGPOBSA-N 296.352 0.660 0 50 CCAA Cc1nsc2ncn(C[C@@H](O)C3(O)CCC3)c(=O)c12 899884864 AHNIMDMMSGBMNP-MRVPVSSYSA-N 281.337 0.437 0 50 CCAA CCc1ocnc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N(C)C 1565516106 SFXCXFFGJTVLGO-JAAHAHCPSA-N 279.340 0.684 0 50 CCAA CCCn1cc(S(=O)(=O)N2CC[C@@H]3CNC[C@@H]32)cn1 1565508028 VVMCTNBDIADNDS-PWSUYJOCSA-N 284.385 0.276 0 50 CCAA Cc1noc(Cl)c1CC(=O)NC[C@H]1CN(C)CCO1 171286865 IZMNHEJSZKOOQA-VIFPVBQESA-N 287.747 0.626 0 50 CCAA COc1cccc(CN2CCO[C@H](CNC(C)=O)C2)n1 172190994 IANRUWFTNGVRSY-CYBMUJFWSA-N 279.340 0.427 0 50 CCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1N=c1cc[nH]cc1F 1074512794 MQHNDWWGUOLNHT-MHNYQROPSA-N 265.288 0.347 0 50 CCAA C[C@H]1CN(C)C[C@@H](C(=O)NCCc2ccccn2)O1 585121933 GSZGZRSLNZPTFN-AAEUAGOBSA-N 263.341 0.459 0 50 CCAA CNC(=O)Cn1cc(NC(=O)[C@@H]2CCCO[C@@H]2C)cn1 189017251 VGVHXPFNQTWXIB-MWLCHTKSSA-N 280.328 0.383 0 50 CCAA Cc1cncnc1N1CC[C@@H](c2cc(O)nc(O)n2)C1 641650280 LKJFWLYQVSSAQY-SECBINFHSA-N 273.296 0.980 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(CC2=CCCOC2)C1 643757919 ZHNGMMGOVXXNDP-CQSZACIVSA-N 268.357 0.296 0 50 CCAA C[C@@H](CC(=O)NCc1cc(C(N)=O)no1)C1CCNCC1 570630225 QTULLUQXYPRMQE-VIFPVBQESA-N 294.355 0.416 0 50 CCAA Cc1cc(C)nc(N2CCC[C@](O)(Cn3ccnn3)C2)n1 570949838 UYLTWRCDVSKUHJ-CQSZACIVSA-N 288.355 0.716 0 50 CCAA CC[C@@H]1CC[C@H](C(=O)NS(=O)(=O)Cc2cccnc2)O1 766901884 PQFFCORJEABOMN-VXGBXAGGSA-N 298.364 0.985 0 50 CCAA O=C(O)c1coc(NCCN2CCC[C@H](CO)C2)n1 1529153785 VDZQVKPGNPYNBI-VIFPVBQESA-N 269.301 0.489 0 50 CCAA CC(=O)N1CCC[C@H](C(=O)NC2(CN(C)C)CCC2)C1 407994741 CSCGRSPPQRWXJB-ZDUSSCGKSA-N 281.400 0.845 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)CC1CC1 408025196 ABJOUUUGLJMBIZ-QWRGUYRKSA-N 263.359 0.462 0 50 CCAA O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H](C2CC2)C1 328905721 AYYFFVTYUWMPRF-MNOVXSKESA-N 257.355 0.680 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)CC1CC(F)(F)C1 643937972 DLQGILWUWRWHOP-GFCCVEGCSA-N 290.310 0.915 0 50 CCAA C[C@@H](C(=O)O)N(C1CC1)S(=O)(=O)Cc1ccon1 1602819750 HBPYLWBVUKOOLI-ZETCQYMHSA-N 274.298 0.442 0 50 CCAA O=C(O)[C@H]1COCCN(C(=O)C2Cc3ccccc3C2)C1 1772808362 NZSJURYCTBVHFZ-CQSZACIVSA-N 289.331 0.961 0 50 CCAA Nc1cc(N2C[C@H]3C[C@@H](O)[C@H]3C2)nc(N2CCCC2)n1 1775978027 LCWQWJKUMBHCRD-OUAUKWLOSA-N 275.356 0.476 0 50 CCAA Nc1ncccc1CN1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772711177 RJIWZLXDFTXABL-RISCZKNCSA-N 277.324 0.587 0 50 CCAA O=[S@](C[C@@H](O)COCc1ccccc1)c1ncn[nH]1 16513276 WVHZLSMZVGECNH-WLRWDXFRSA-N 281.337 0.490 0 50 CCAA Cc1noc(C)c1CCC(=O)N1C[C@@H]2CC(=O)N[C@@H]2C1 1857676543 PPAPLJDXAUPTCC-CMPLNLGQSA-N 277.324 0.571 0 50 CCAA NC(=O)C[C@H]1CCN(C(=O)c2c[nH]c3ncccc23)C1 1647208236 ZSVNQFNLRYDOOH-SECBINFHSA-N 272.308 0.900 0 50 CCAA O=C(c1ccccc1Cn1cncn1)N1C[C@@H](O)C2(CC2)C1 375297797 OWCAEBFACAHYAK-CQSZACIVSA-N 298.346 0.923 0 50 CCAA CC1(C)CN(C[C@@H](O)C2(O)CCCC2)[C@@H]2COC[C@H]2O1 930868781 XWJLKYQSYHOSCR-JHJVBQTASA-N 285.384 0.531 0 50 CCAA Cc1n[nH]c(C)c1CCCNC(=O)c1cnc(O)cn1 219912843 CQVWQEWPNHOEKH-UHFFFAOYSA-N 275.312 0.885 0 50 CCAA C[C@]1(NC(=O)[C@H]2COCCO2)CCCC[C@H]1C(=O)O 262716823 CXPDLTYYYDBNIB-CWSCBRNRSA-N 271.313 0.552 0 50 CCAA Cc1nn(C)c(C(=O)N[C@H](CC(=O)O)C(=O)O)c1Cl 426495552 BMDVJDCSVZFOBJ-RXMQYKEDSA-N 289.675 0.040 0 50 CCAA CC1(C)C[C@@H](O)CCN(C(=O)CCn2cnnn2)C1 670435303 LTTYSLKJTVUVCS-JTQLQIEISA-N 267.333 0.073 0 50 CCAA O=C(O)C[C@@H]1CN(c2ncnc3[nH]ccc23)CCO1 579359572 PRFABXNJKOXNTN-MRVPVSSYSA-N 262.269 0.638 0 50 CCAA Cc1cc(C)c(C(=O)NCCc2cnn[nH]2)c(O)n1 584887527 SKLNFFFLQAWJQX-UHFFFAOYSA-N 261.285 0.495 0 50 CCAA O=C(c1c[nH]c(=O)cn1)N1CC2(COc3ccccc3C2)C1 2100483251 FSWMSHFDLPHSAE-UHFFFAOYSA-N 297.314 0.847 0 50 CCAA CC(=O)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 266584 QXERHLRQLCDLKG-UHFFFAOYSA-N 282.321 0.638 0 50 CCAA O=C(CCCn1cccn1)N1CCC[C@]12CCCNC2=O 2356135472 GQOUCWYUSOMAAJ-HNNXBMFYSA-N 290.367 0.935 0 50 CCAA CC(=O)N1CCC(N[C@H]2CCCCNC2=O)CC1 4021375 IXLTVIADRKWHNE-LBPRGKRZSA-N 253.346 0.256 0 50 CCAA COC(=O)CSc1nc2ccccn2c(=O)c1C=O 2577176 XYHFNDKCLPKBLV-UHFFFAOYSA-N 278.289 0.772 0 50 CCAA Cc1cnn(CCNCc2c(Br)nnn2C)c1 310422832 QYSLCFPDJHVCPQ-UHFFFAOYSA-N 299.176 0.872 0 50 CCAA C=CC(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 863971182 HXARUBQYNNGTLZ-LBPRGKRZSA-N 259.309 0.875 0 50 CCAA NC(=O)C1(O)CCN(C(=O)Nc2ccc(F)cc2F)CC1 314673400 YNXPVURWTBCKOO-UHFFFAOYSA-N 299.277 0.809 0 50 CCAA COC(=O)CNC(=O)CCN1CCO[C@H]2CCCC[C@H]21 230208228 LUHLDCGYGQPPIW-NEPJUHHUSA-N 284.356 0.309 0 50 CCAA COc1cccc(OC[C@@H](O)CN[C@H](C)CCO)c1 32587007 KFEGBVPAFCKJRS-NEPJUHHUSA-N 269.341 0.795 0 50 CCAA CC(C)(C)c1csc(CCNC(=O)[C@H]2C[C@H](O)CN2)n1 236621244 INZBTFBHOFQLBX-VHSXEESVSA-N 297.424 0.822 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 257366179 MIQXGSLCAFRIKM-XJFOESAGSA-N 282.384 0.591 0 50 CCAA CCOC(=O)[C@H](CO)NC(=O)C(=O)c1cc(F)ccc1C 360617196 VWKFQQQIANATLB-NSHDSACASA-N 297.282 0.357 0 50 CCAA CC(C)Oc1ccc(=NC(=O)N2CCC[C@H](CO)C2)[nH]n1 331068646 RDYJTVRVGHHAHS-NSHDSACASA-N 294.355 0.922 0 50 CCAA Cn1ccc(N2CC[C@@H](NC(=O)C=C3CCC3)C2=O)n1 378073139 DZNRZSHRQSDOAK-LLVKDONJSA-N 274.324 0.752 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)C2(C(=O)NC)CC2)C1 378142902 BDMIJMIMFPGUJV-ZDUSSCGKSA-N 268.357 0.524 0 50 CCAA N#CCc1cccc(C(=O)N2CCO[C@H](C(=O)O)C2)c1 262918438 DSIDBAXPESHHQC-LBPRGKRZSA-N 274.276 0.678 0 50 CCAA O=C(CN1CCC[C@H](OCC2CC2)C1)N1CCNC1=O 368790823 JBIJZGDZYFNZKB-LBPRGKRZSA-N 281.356 0.429 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@H](OCC3CC3)C2)CC1 368741822 NOUXRYGDMWVADF-LBPRGKRZSA-N 280.368 0.930 0 50 CCAA C[C@H]1CNCCN1C(=O)c1ccn([C@@H]2CCCNC2)n1 261664295 BGIOAFMJMIPGAI-NWDGAFQWSA-N 277.372 0.242 0 50 CCAA O[C@@]1(CNCCc2nc3c(s2)CCC3)CNCCOC1 77406987 FLVNJJRMFRIYPK-AWEZNQCLSA-N 297.424 0.115 0 50 CCAA C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1cccnc1 240471669 GDQUEWICGRBEGU-WCQYABFASA-N 283.397 0.841 0 50 CCAA Cn1cc(NC(=O)[C@H]2C[C@H]2C2CC2)c(=O)n(C)c1=O 177418143 UEKMZDXVJILUIA-IUCAKERBSA-N 263.297 0.069 0 50 CCAA O=C(O)[C@H]1CCCN(C(=O)NCCc2cncnc2)C1 529224951 CYCHXFQLSKQNJP-NSHDSACASA-N 278.312 0.525 0 50 CCAA O=C(CN1CCCC1)NCc1ccccc1-n1cncn1 223716840 CFSYILWASRFDRZ-UHFFFAOYSA-N 285.351 0.979 0 50 CCAA CNc1ncc(C(=O)N2CCCC[C@H]2CCC(=O)O)cn1 426421128 KZQQWYWXKXGJAD-NSHDSACASA-N 292.339 1.378 0 50 CCAA O=C(NCc1nnc2ccccn12)c1[nH]nc2c1CCC2 95476308 WLQBYSJMUACTKG-UHFFFAOYSA-N 282.307 0.871 0 50 CCAA Cn1cnnc1CSc1nnc([C@H]2CCCNC2)n1C 426593851 SLMXDGDOYZTGHE-VIFPVBQESA-N 293.400 0.703 0 50 CCAA COCCN1CC[C@H](c2nc3c([nH]2)CCCNC3=O)C1 95383222 WSSLMTXRAOEMII-JTQLQIEISA-N 278.356 0.521 0 50 CCAA CCC[C@H]1CN(CCO)C[C@@H]1NC(=O)c1ccc(CO)o1 91643518 FWUBIGAEWGVUGE-AAEUAGOBSA-N 296.367 0.595 0 50 CCAA COC(=O)CCN1CCN(C(=O)c2cccnc2)[C@H](C)C1 180865818 RTLFCSLWWPPEEE-GFCCVEGCSA-N 291.351 0.791 0 50 CCAA CNc1ncc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cn1 92081044 IEFYPAJVUXGITE-MNOVXSKESA-N 261.329 0.328 0 50 CCAA N[C@@H]1[C@H]2CC[C@@H]1CN(CC(=O)NCc1ccccc1)C2 243901748 BDNYVRYUGBMDGX-FOLVSLTJSA-N 273.380 0.972 0 50 CCAA CCOc1cc(N2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)ncn1 621336204 OYXYEWAGOCWZFN-GXSJLCMTSA-N 290.327 0.612 0 50 CCAA CN(C)C[C@H](O)CNC(=O)C1(N2CCCC2)CCCC1 534652405 HXNPWSUJQAZRLQ-CYBMUJFWSA-N 283.416 0.434 0 50 CCAA O=S(=O)(NCC1(CN2CCCC2)CC1)c1cn[nH]c1 534648016 GXKOLNWHRMCMKH-UHFFFAOYSA-N 284.385 0.564 0 50 CCAA Nc1cccc(C(=O)NCc2noc([C@H]3CCCO3)n2)n1 534632361 BHIJIFUDSNHJJR-SECBINFHSA-N 289.295 0.828 0 50 CCAA CN(C)CCN1CCC(NC(=O)c2cncn2C)CC1 299785979 OUYJRXQYPARLJN-UHFFFAOYSA-N 279.388 0.176 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Cc1c(C)n[nH]c1C 299782516 XUCKJSMAFSCVJS-KBPBESRZSA-N 294.399 0.793 0 50 CCAA CCCN1C[C@@H](Nc2ncnc3[nH]cnc23)CC1=O 822919230 UJSKENDRKKBWAW-QMMMGPOBSA-N 260.301 0.776 0 50 CCAA CCc1nccn1CCCNC(=O)c1nccn1C 823557494 RXMBPZPJJBRZHW-UHFFFAOYSA-N 261.329 0.999 0 50 CCAA Cc1cccc(=O)n1CCC(=O)N1CC(=O)N(C)[C@@H](C)C1 670459807 PQHHOFCSNVNSAT-LBPRGKRZSA-N 291.351 0.236 0 50 CCAA C[C@H](NC(=O)CCCN1CCCC1=O)c1nnc(N)s1 670464640 ZGVWSKVEAMSBDX-QMMMGPOBSA-N 297.384 0.700 0 50 CCAA C[C@H](Cn1cccn1)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685940836 JMVWYVJEHBXSTK-KGYLQXTDSA-N 277.328 0.431 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@H](C)c1c(C)nn(C)c1C 1875311944 PQYACXKFLBTUIX-UCUJLANTSA-N 279.340 0.986 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H](c1cnn[nH]1)C(C)C 1875380725 XMKMOPZYKWZMKI-LBPRGKRZSA-N 265.317 0.262 0 50 CCAA Cc1noc(C2(NC(=O)[C@H]3C[C@H](O)C3)CCOCC2)n1 1875329065 BPPIEIMMVBGCOR-MGCOHNPYSA-N 281.312 0.271 0 50 CCAA CC(C)(C)OC(=O)N1CCC([C@H]2C[C@@H](O)C(=O)N2)CC1 1772797817 ZTKKUHVQXIJPRT-GHMZBOCLSA-N 284.356 0.883 0 50 CCAA CN(Cc1nnc(O)o1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 899169900 HGUCENOOOZBENU-KUIGQIJESA-N 265.269 0.157 0 50 CCAA Cc1cc(CN2CCN(C[C@H](C)O)[C@H](C)C2)no1 247179039 NKQONHMFOJZCGQ-MNOVXSKESA-N 253.346 0.870 0 50 CCAA Cc1cc(C(=O)N[C@@H](CC(=O)O)C(=O)O)ccc1F 166424043 LYULPUPPKCDMKS-VIFPVBQESA-N 269.228 0.792 0 50 CCAA C[C@H](CO)NC(=O)[C@]1(C)Oc2ccccc2NC1=O 630728568 VSJRQQAAXYMXMY-OQPBUACISA-N 264.281 0.273 0 50 CCAA COCc1nn(C[C@H]2Cc3ccccc3O2)c(=O)o1 170664873 IAOQEHCVKGTWBQ-SNVBAGLBSA-N 262.265 0.986 0 50 CCAA CS(=O)(=O)C1CN(c2nc(C(F)(F)F)ns2)C1 408105413 HVYGYYGSGIMUTA-UHFFFAOYSA-N 287.288 0.790 0 50 CCAA OCCOc1cncc(N2CCC(C3OCCO3)CC2)n1 584908799 NEVHOOZGENDYQM-UHFFFAOYSA-N 295.339 0.437 0 50 CCAA CCc1onc(C)c1NC(=O)CN1CCCC[C@@H](O)C1=O 644409669 ACFMBDTVXMLNQR-SNVBAGLBSA-N 295.339 0.857 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C[C@@H](O)CN1CCCC1 685940567 OHFYOGMXPGBCRY-JSGCOSHPSA-N 286.372 0.009 0 50 CCAA CO[C@H](C)CS(=O)(=O)N1C[C@@H](C)OC(C)(C)C1 195141219 VZUATZKAJUTWPD-NXEZZACHSA-N 265.375 0.850 0 50 CCAA CCN(CCN1CCOCC1)c1nc(C)cc(C(=O)O)n1 1529179065 UQRATTADXIWOMO-UHFFFAOYSA-N 294.355 0.642 0 50 CCAA CCn1nnc(=NC(=O)Cc2ccc(OC)cc2)[nH]1 1875244630 WXEGLPZXGXLWAM-UHFFFAOYSA-N 261.285 0.305 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)Cc1ccccc1 209918094 DPXRFHZVOOMXHT-OLZOCXBDSA-N 277.320 0.754 0 50 CCAA O=C(NC[C@H]1CCNC[C@@H]1O)c1nc2ccccc2[nH]1 216876643 NHRZUEFYBYUOKZ-SKDRFNHKSA-N 274.324 0.263 0 50 CCAA Cc1nc2cccc(N)c2c(=O)n1[C@@H]1CCC(=O)NC1=O 113477075 RSNPAKAFCAAMBH-SNVBAGLBSA-N 286.291 0.265 0 50 CCAA in-vitro O=C(CN1CC[C@H](C(=O)O)[C@H](O)C1)NCc1cccs1 1704307878 LFWMLUCJOFFYGU-WDEREUQCSA-N 298.364 0.132 0 50 CCAA CCS(=O)(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704344994 ZBOHAJYVTFJVHH-VXGBXAGGSA-N 270.354 0.578 0 50 CCAA CCCOCCN1CCN(CC[C@H]2COCCO2)CC1 1775977619 KKIHCRPWYGPFQI-HNNXBMFYSA-N 286.416 0.836 0 50 CCAA O=[S@@](C[C@@H](O)COCc1ccccc1)c1ncn[nH]1 16513286 WVHZLSMZVGECNH-JEOXALJRSA-N 281.337 0.490 0 50 CCAA Cc1[nH]c2nc(-c3ccncc3)nn2c(=O)c1CCC(=O)O 19702810 GPPPOQIJKORUPS-UHFFFAOYSA-N 299.290 0.805 0 50 CCAA Cc1nc(Cn2nnc(C(=O)N3CCCC3)c2C)no1 1645732774 VQSAVJKNRCTVFP-UHFFFAOYSA-N 276.300 0.562 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)Cc1cnn2ccccc12 647733446 CATZXWYAGPCPEQ-LBPRGKRZSA-N 289.291 0.189 0 50 CCAA NC(=O)c1nn[nH]c1NC(=O)[C@H]1CC2CCC1CC2 660848381 WIQMIWZWUKWKEB-RRQHEKLDSA-N 263.301 0.668 0 50 CCAA OC[C@@H]1CN(Cc2cc3c(cc2Cl)OCCO3)C[C@H]1O 459697744 YTUSVOAXNZTZGS-CMPLNLGQSA-N 299.754 0.896 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)C(C)=C2CCC2)C1 818488664 RYOINVUZMMANGB-HNNXBMFYSA-N 280.368 0.976 0 50 CCAA Cc1nc(CC(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)n[nH]1 822443814 FFPYUMUOFOOWRF-APPZFPTMSA-N 266.301 0.225 0 50 CCAA Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1 223161867 JKLITHXJITZPSS-VXGBXAGGSA-N 285.365 0.732 0 50 CCAA Cc1cccc(C(=O)NCC2(CO)COC2)c1F 269599724 MFXDLGGQKHLEPJ-UHFFFAOYSA-N 253.273 0.873 0 50 CCAA Cc1n[nH]c(C)c1CN(C)[C@@H]1CCN(S(C)(=O)=O)C1 292867067 VYMVDAJIPUGUKH-LLVKDONJSA-N 286.401 0.492 0 50 CCAA O=C(N[C@]1(CO)CCOC1)[C@H]1Cc2ccccc2O1 182891991 AGJFLUIMHWEDRA-OCCSQVGLSA-N 263.293 0.258 0 50 CCAA CSC[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 584889912 ZOWXHNRPYGCBGD-VIFPVBQESA-N 267.354 0.985 0 50 CCAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCO 612516 RZXLYFLZKTWSLE-UHFFFAOYSA-N 273.310 0.306 0 50 CCAA O=C(c1ccc2nn[nH]c2c1)N1C[C@H]2COC[C@@]2(CO)C1 2356161123 GZNNLWJZEIKYJG-HZMBPMFUSA-N 288.307 0.039 0 50 CCAA CC(=O)NCCOc1ccccc1OCCNC(C)=O 4783806 PEKMWPJSLIRJMR-UHFFFAOYSA-N 280.324 0.716 0 50 CCAA Cc1nc2ccccn2c1C(=O)NCCN1CCOC1=O 20167069 RIWPFHOBIOKTDF-UHFFFAOYSA-N 288.307 0.825 0 50 CCAA O=C1NC(=O)[C@@H](CCc2nc(Cc3ccccc3)n[nH]2)N1 65388247 NHJSSXNGCJVMPC-SNVBAGLBSA-N 285.307 0.536 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)CO)[C@H]1Oc1ccccc1 249149484 WDCWBZRZTVPWLS-YRGRVCCFSA-N 265.309 0.720 0 50 CCAA O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCC[C@@H](N2CCNCC2=O)C1 249142347 RHNHCEXFJPPGHG-CXTNEJHOSA-N 291.395 0.455 0 50 CCAA NC[C@](O)(C(=O)O)c1ccc(Br)cc1 218777245 JZEQYXZFSBCRNY-SECBINFHSA-N 260.087 0.680 0 50 CCAA O=C(NCCCc1cccnc1)C(=O)N1CCCC1 216452923 OSCVVJWTGSAULU-UHFFFAOYSA-N 261.325 0.753 0 50 CCAA O=C(CNCc1ccc2c(c1)OCO2)Nc1cnccn1 65406130 BBGHUURYCXPEQO-UHFFFAOYSA-N 286.291 0.934 0 50 CCAA Cc1cc(=O)[nH]c(CNC(=O)c2csc(C)n2)n1 20119400 RKZOFQNQOXFXGD-UHFFFAOYSA-N 264.310 0.773 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3C[C@@H]32)cn1C 521394165 GKFWRMDRZTXSBS-KOLCDFICSA-N 297.380 0.558 0 50 CCAA CCOCCCN1C(=O)N[C@@]2(CCSC2)C1=O 125710361 YVIKUCPHXDRTOA-LLVKDONJSA-N 258.343 0.841 0 50 CCAA C=CC(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 328598564 NFVAPOPRMAGATN-JTQLQIEISA-N 262.313 0.948 0 50 CCAA Cc1cc2n(n1)CCCN(C(=O)C[C@@H]1COCCN1)C2 72167279 GZSLAKZDZFEVBD-GFCCVEGCSA-N 278.356 0.302 0 50 CCAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2nnnn2C)c1 331617078 OEGAPKUGMUMARI-DGCLKSJQSA-N 289.339 0.527 0 50 CCAA CCCNS(=O)(=O)c1nnc(NC(=O)CC)s1 72436994 MXCSMCSTQDBROD-UHFFFAOYSA-N 278.359 0.575 0 50 CCAA N=c1[nH]c(C2CC2)ncc1C(=O)N1C[C@H](O)C2(CC2)C1 377336585 XARFTJXACNUBJI-JTQLQIEISA-N 274.324 0.363 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCC1(Cn2ccnc2)CC1 220678249 NSQLFRMZXYSJKQ-SNVBAGLBSA-N 280.328 0.524 0 50 CCAA C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(C(=O)O)cc1 263555884 OGFPPCRANLBNGA-SKDRFNHKSA-N 299.348 0.982 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)CCn1cccn1 223486319 DKIGQAQRCZVQSW-GHMZBOCLSA-N 253.302 0.193 0 50 CCAA CCCc1cc(C(=O)NC2(C(N)=O)CCCC2)n(C)n1 82125751 OTMHKHPLJVUPTP-UHFFFAOYSA-N 278.356 0.901 0 50 CCAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)CN(C)C(N)=O 426517781 FNKDAMVGGHNIAY-GFCCVEGCSA-N 295.339 0.285 0 50 CCAA CCC[C@H](NC(=O)Cc1c(C)nc(CC)nc1O)C(=O)O 426414387 MDMZTEAAQIDQFA-JTQLQIEISA-N 295.339 0.965 0 50 CCAA COc1ncc(C(=O)N[C@H](c2ncnn2C)C(C)C)cn1 426405435 BKWFERIBUAGCMW-JTQLQIEISA-N 290.327 0.741 0 50 CCAA NC(=O)CN1CCC(c2nc([C@H]3CCOC3)no2)CC1 96136058 UTIDEQYXDDBXQR-JTQLQIEISA-N 280.328 0.238 0 50 CCAA CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(=O)O)C1 237088719 MRKBBJMRFRSCRT-VHSXEESVSA-N 270.329 0.472 0 50 CCAA COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239235715 WNYOLNYKQKTZMM-NOEAPNPUSA-N 261.277 0.213 0 50 CCAA O=C([C@H]1CCCN(CCn2cc[nH]c2=O)C1)N1CCCC1 244816880 SQFGEGQFDNOLDM-ZDUSSCGKSA-N 292.383 0.511 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)COCCc1ccccc1 299753431 YFMSCVXMGDDQGY-ZDUSSCGKSA-N 293.319 0.558 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCC1(CO)CCCC1 534637894 LVNRHWFINQNNPT-SECBINFHSA-N 258.318 0.400 0 50 CCAA CC(=O)NCCNC(=O)NCc1ccc2c(c1)C[C@H](C)O2 534669271 VFCHRVAIEUVBPG-JTQLQIEISA-N 291.351 0.945 0 50 CCAA O=C(NCC[C@H]1CCOC1)c1ccc2nnnn2c1 534665492 BHYPEAZBSHBTPQ-VIFPVBQESA-N 261.285 0.281 0 50 CCAA C[C@@H]1CNCCN1S(=O)(=O)c1ccc2oc(O)nc2c1 534634241 MJEHODJWXHPHKH-MRVPVSSYSA-N 297.336 0.516 0 50 CCAA CC(C)CN1C[C@@H](C(=O)Nc2nccn2C)CC1=O 567861983 YVKAKKAMBBAEPF-JTQLQIEISA-N 264.329 0.863 0 50 CCAA CCS(=O)(=O)NCc1nncn1CCc1ccccc1 823416052 IWPPDDKUOQMOGI-UHFFFAOYSA-N 294.380 0.960 0 50 CCAA CCc1noc([C@H](C)NS(=O)(=O)c2cnn(C)c2)n1 823569343 HLBXIOCMFPFHNM-ZETCQYMHSA-N 285.329 0.405 0 50 CCAA CN1CCN(C)[C@@H](Cn2cnc3cccc(F)c3c2=O)C1 584887757 IFRHPUJACAPLQR-LLVKDONJSA-N 290.342 0.781 0 50 CCAA CC(C)(C)n1nc(CC(N)=O)nc1CCCn1cncn1 670452534 CPZZBZRJHJAFGD-UHFFFAOYSA-N 291.359 0.285 0 50 CCAA CCS(=O)(=O)[C@@H](C)C(=O)NCCc1c(C)n[nH]c1C 670459168 VPCPGIGHLBTBSV-JTQLQIEISA-N 287.385 0.508 0 50 CCAA Cc1nc(C(=O)N2CCN(c3cnccn3)[C@H](C)C2)no1 1875282731 QAWNEVYQJKSVGE-SECBINFHSA-N 288.311 0.519 0 50 CCAA CCN1N=C(C(=O)N2C[C@@H]3C[C@H]2CS3)CC1=O 1875265863 NOVOXJPYLKHCBV-YUMQZZPRSA-N 253.327 0.311 0 50 CCAA OC[C@H](O)[C@H]1COCCN1Cc1nc2ccccc2s1 1875274966 HNNGXERRXUJEOG-NEPJUHHUSA-N 294.376 0.850 0 50 CCAA C[C@]1(CNC(=O)c2ccc(C(=O)O)nc2)CC(F)(F)CN1 1875296222 KPTDAYQBKAAUEV-GFCCVEGCSA-N 299.277 0.897 0 50 CCAA CCOC1CC2(C1)C[C@@H]2NC(=O)C1(n2cncn2)CC1 1875392496 FREYTAPPAOFFGN-AKJDGMEZSA-N 276.340 0.841 0 50 CCAA NS(=O)(=O)c1ccc(-c2ccc(=O)n(CCO)c2)cc1 1875349583 CRMSSWUCUAHDPI-UHFFFAOYSA-N 294.332 0.155 0 50 CCAA CCOC(=O)c1c(C)nc(N2C[C@H](O)[C@H]2C)nc1C 1875316279 FQTPLFIGNQGODA-ZJUUUORDSA-N 265.313 0.840 0 50 CCAA N=c1cc[nH]cc1C(=O)NC[C@H]1Cc2ccccc2CN1 877342930 HSZZDVAUVNQGSO-CYBMUJFWSA-N 282.347 0.938 0 50 CCAA Cc1cnn(CC(=O)NCc2c[nH]nc2[C@@H]2CCNC2)c1 952849913 HYADHRBQBSDPNV-LLVKDONJSA-N 288.355 0.308 0 50 CCAA O=C(O)[C@@H]1CC[C@H](C(=O)NCc2cccc3c2OCO3)N1 952889074 RTWNLVNAISPRCL-ZJUUUORDSA-N 292.291 0.237 0 50 CCAA CC(C)OC[C@@H](N)C1(O)CCC2(CC1)OCCO2 958527884 HUUWKVDXNQUZPY-LLVKDONJSA-N 259.346 0.787 0 50 CCAA Cn1ccnc1NC(=O)c1ccc2c(=O)n(C)cnc2c1 1201329047 DIUYAYBASZZRID-UHFFFAOYSA-N 283.291 0.919 0 50 CCAA O=C(CCN1CCCC1=O)N[C@@H]1C[C@@H](O)C12CCOCC2 887016177 HTIVXJXWNPLFQF-VXGBXAGGSA-N 296.367 0.045 0 50 CCAA O=C1NC[C@@H](O)CC12CCN(Cc1ccoc1)CC2 897041865 NLNIFODFAHZLLG-LBPRGKRZSA-N 264.325 0.743 0 50 CCAA C[C@H]1CO[C@H](C)CN1CC(=O)NC[C@H]1CCCO1 247985785 ZINMKISNGVQWRT-QJPTWQEYSA-N 256.346 0.391 0 50 CCAA Cc1ccc(S(N)(=O)=O)c(N2C[C@H]3COC[C@H]3C2)c1 631261143 GGJQLWBBSUPPGL-PHIMTYICSA-N 282.365 0.725 0 50 CCAA O=C(NCc1ccc(-n2cccn2)cc1)[C@H]1COCCN1 170048744 KYTJOUGZZMHGFC-CQSZACIVSA-N 286.335 0.477 0 50 CCAA CCOC(CN1CCN(C[C@H](O)CC)CC1)OCC 170595553 PWPXRTCUYLGJRR-CYBMUJFWSA-N 274.405 0.774 0 50 CCAA COC[C@H]1CN(C(=O)Cc2ccn(C)n2)CC(C)(C)O1 556687605 KHEPGIQNMWIBAD-GFCCVEGCSA-N 281.356 0.615 0 50 CCAA COC[C@]1(C(N)=O)CCCN1CCn1nc(C)cc1C 643821925 HFWBRERDQSKRPD-AWEZNQCLSA-N 280.372 0.466 0 50 CCAA CC1CCC(N(C)C(=O)CN2C[C@@H](O)C[C@]2(C)CO)CC1 583650907 BHGZGHZCPGUCHR-VKJZCYHPSA-N 298.427 0.841 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1O 216846263 BVMJIGTZVGLOHS-WFASDCNBSA-N 293.367 0.636 0 50 CCAA CN1CCC(N2CCN(c3ncccn3)CC2)CC1 757097 HRFQKMIRSUISCK-UHFFFAOYSA-N 261.373 0.693 0 50 CCAA Cc1ccc(O)c(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3)c1 1875298712 LAMKUMNBOUNPLE-PHIMTYICSA-N 282.365 0.826 0 50 CCAA O=C(NCCOC[C@H]1CCOC1)[C@@]1(O)C[C@H]2CC[C@H]1C2 1615585591 DLDUGIZMPLDPMM-PWNZVWSESA-N 283.368 0.707 0 50 CCAA C=CC(=O)N[C@H](O)C(=O)NCCc1ccc(CC)cc1 1615586997 TZZXYGOXCVGSFI-OAHLLOKOSA-N 276.336 0.528 0 50 CCAA Cc1ncc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c(C)n1 1616034363 JKYPAXVUFQIKAZ-RYUDHWBXSA-N 278.400 0.980 0 50 CCAA CC(C)(O)CONC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 496754961 FXWPCZIPVJYXMJ-SECBINFHSA-N 288.344 0.815 0 50 CCAA Cc1csc(NC(=O)NCCN2C(=O)CNC2=O)n1 264952250 LDPOPNVOZHHGIJ-UHFFFAOYSA-N 283.313 0.125 0 50 CCAA Cc1cccc(CC(=O)N2C[C@H]3[C@H](C2)C3(CO)CO)c1 1772707001 XMBWWODKKAAGRZ-KBPBESRZSA-N 275.348 0.597 0 50 CCAA C=CC(=O)N(C)CC(=O)N(CC)C[C@@H]1CCOC1 858769589 IZDGTLCYCVXELD-NSHDSACASA-N 254.330 0.516 0 50 CCAA NCC[C@H]1CCCN(C(=O)c2ccc(C(N)=O)cn2)C1 1647239095 VPRDHHBEBLOVGU-SNVBAGLBSA-N 276.340 0.382 0 50 CCAA CN(C)C(=O)[C@H]1CN(Cc2cccc3ccnn23)CCO1 1857680641 RHIRAIYILUOXJW-CQSZACIVSA-N 288.351 0.623 0 50 CCAA CC1(C)NC(=O)CC[C@H]1NC(=O)Cn1cc(C2CC2)cn1 614555773 IGTNLQQFCUQWCA-GFCCVEGCSA-N 290.367 0.934 0 50 CCAA CCn1ccnc1[C@@H](C)NC(=O)N[C@@H]1CCCN(C)C1=O 527991682 WLQVCKMBUJQDQU-GHMZBOCLSA-N 293.371 0.884 0 50 CCAA CCCc1nc(C)cc(N2CC[C@@H](CO)[C@@H](O)C2)n1 247826614 JLTSOAAVTXHYTA-RYUDHWBXSA-N 265.357 0.917 0 50 CCAA COc1ccccc1N1CCN(C[C@@](C)(O)CO)CC1 1875302516 UEBSFOCUUCMVDT-OAHLLOKOSA-N 280.368 0.561 0 50 CCAA CCCc1nc(-c2noc([C@@H]3CN(C)C(=O)CN3)n2)co1 904721151 JFDRBNMKOMZZDK-QMMMGPOBSA-N 291.311 0.780 0 50 CCAA Cc1nn[nH]c1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 1287297145 ZTFBPEJCUZQPNJ-RKDXNWHRSA-N 291.311 0.227 0 50 CCAA CC(C)[C@H](NC(=O)Cc1ccccc1C(=O)O)C(N)=O 225887736 IVTFRJCNXSEOOW-LBPRGKRZSA-N 278.308 0.553 0 50 CCAA C[C@H]1CCCN(C(=O)Cc2cnn(C)c2)[C@@H]1CN 156616647 PHPBHIHDZKUSKR-CMPLNLGQSA-N 250.346 0.548 0 50 CCAA NC(=O)[C@@H](Cc1ccccc1)Nc1ncnc2[nH]cnc12 2325825786 BLZIRELLQSWDKE-SNVBAGLBSA-N 282.307 0.861 0 50 CCAA Cc1ccc(CNC(=O)COC(=O)CC(N)=O)cc1F 225664404 CUIDPNWKOKLRMS-UHFFFAOYSA-N 282.271 0.169 0 50 CCAA CNC(=O)N(O)[C@@H]1N(N)C(=S)SC1(C)C 3876666 HQSRJNOBGJFZRM-BYPYZUCNSA-N 250.349 0.329 0 50 CCAA O=C(O)CNC(=O)c1ccc(N2CCCC2=O)cc1 4207347 HBZGBAJPFYGVRN-UHFFFAOYSA-N 262.265 0.628 0 50 CCAA CNC(=O)NC1CN(C(=O)c2cc(C)cc(OC)c2O)C1 225773890 PAVQGYLWNPMODE-UHFFFAOYSA-N 293.323 0.463 0 50 CCAA CCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3)n(C)c1=O 10386923 GXHQXKSRWPFJHR-ZETCQYMHSA-N 276.300 0.279 0 50 CCAA C[C@H](C(=O)N1CCC[C@@H](CCC(=O)O)C1)S(C)(=O)=O 135844380 YUSWNENFABXWQN-ZJUUUORDSA-N 291.369 0.523 0 50 CCAA CCN1CCN(c2cc(C3CCNCC3)ncn2)CC1=O 67805310 HSEMFINNDYXLDW-UHFFFAOYSA-N 289.383 0.612 0 50 CCAA Cc1c([C@H]2OCC[C@@H]2NC(=O)c2cc[nH]n2)cnn1C 328612388 OQHKAFSQKAKUFT-CMPLNLGQSA-N 275.312 0.712 0 50 CCAA O=C(c1csc(O)n1)N1CC(=O)N(C2CC2)C1 329944145 DYWYXVJRSPFRAW-UHFFFAOYSA-N 253.283 0.253 0 50 CCAA CO[C@H](C)c1noc(CCC(=O)N2C[C@H](C)N[C@H](C)C2)n1 154131332 YZWGAJOJWVYIGA-OUAUKWLOSA-N 296.371 0.918 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncc2ccccc21 366898803 ZGQMEMZBNQDNAV-TZMCWYRMSA-N 298.346 0.773 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cnn(C(C)(C)C)c2)C1 284673774 UZYCFALOVAAWOB-QWRGUYRKSA-N 294.355 0.353 0 50 CCAA C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nc(=O)[nH][nH]1 216023405 HIDPHPIFPKCNEP-ZETCQYMHSA-N 290.279 0.247 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)CCOC[C@@H]1CCCO1 262155164 RRRXOMPFJQWAPD-WDEREUQCSA-N 271.313 0.648 0 50 CCAA CC(C)n1nccc1[C@H]1OCC[C@@H]1NS(C)(=O)=O 284880652 DZNSLYGTXNCHPF-ONGXEEELSA-N 273.358 0.843 0 50 CCAA CC1(CO)CCN(C(=O)[C@]2(C)CCCNC2=O)CC1 336102022 YSHCOILVHXPFPV-CQSZACIVSA-N 268.357 0.524 0 50 CCAA CC(C)(C)OC(=O)N[C@H](CC1CCC1)[C@H](O)C(N)=O 34547981 KCDNFVJMBIUAFE-ZJUUUORDSA-N 272.345 0.916 0 50 CCAA in-vitro CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 72140190 QFGRPIXSUFJCSG-NSHDSACASA-N 297.305 0.401 0 50 CCAA CCOC1CC(C(=O)N2CC[C@@H](n3cncn3)C2)C1 376248741 FOIHHQBOKUZFFQ-MOENNCHZSA-N 264.329 0.867 0 50 CCAA CS[C@H](CO)[C@H](C)Nc1ccc2nc(C)nn2n1 240551692 GVKWJMRAZXTSSG-IONNQARKSA-N 267.358 0.957 0 50 CCAA O=C(NC1(C(=O)O)CC1)C1CCN(c2cnccn2)CC1 263125071 FFQGBKSEVMQVHR-UHFFFAOYSA-N 290.323 0.426 0 50 CCAA Cc1nc(CN2CCN(C(=O)c3cn[nH]c3)CC2)no1 216429640 WTJIKPLGCAZGCT-UHFFFAOYSA-N 276.300 0.059 0 50 CCAA CC(C)[C@@H]1CN(CC(N)=O)CCC(=O)N1CC1CC1 71551660 QPWYZPCCECPHCD-LBPRGKRZSA-N 267.373 0.441 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cn[nH]c1 218967211 YCZHFMXAOQKZFB-VXGBXAGGSA-N 288.307 0.771 0 50 CCAA CCO[C@H]1CN(C(=O)c2ncccc2O)C[C@@H]1O 223917370 XZAMASRBVHVOPA-UWVGGRQHSA-N 252.270 0.009 0 50 CCAA CC1(C)CN(CC(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)C1 614763383 NUWXMWQPKHLOFV-JTQLQIEISA-N 293.371 0.906 0 50 CCAA CS[C@@H](CO)[C@@H](C)Nc1nccnc1C(=O)O 228448727 VVVMRJHFSVFNDD-RQJHMYQMSA-N 257.315 0.699 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1ccn(C(C)C)n1 426522831 BFXOSBKICLHHAG-VXGBXAGGSA-N 267.329 0.998 0 50 CCAA O=S1(=O)COCCN1Cc1cccc(-n2cccn2)c1 92020669 UQGYJENATXAYDU-UHFFFAOYSA-N 293.348 0.992 0 50 CCAA CC(C)(C)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 238899742 HEBAQJJFIXJMEF-GAIPPQHRSA-N 276.336 0.708 0 50 CCAA COC[C@H](C)NC(=O)c1ccccc1-c1nnn[nH]1 97574908 SPJUMVVYTQYNFM-QMMMGPOBSA-N 261.285 0.631 0 50 CCAA Cn1nnc(CN2CCC[C@@H](c3ccncc3)C2)n1 295686001 CVQRMJKMBKNEPQ-GFCCVEGCSA-N 258.329 0.985 0 50 CCAA c1nc(N2CCN(Cc3cncn3C3CC3)CC2)n[nH]1 244574831 CSCPWLLLUTWOKY-UHFFFAOYSA-N 273.344 0.658 0 50 CCAA CCOC(=O)c1csc(NC(=O)[C@H]2CC(=O)N(C)C2)n1 253399273 CSSDPDOIZPRZAD-ZETCQYMHSA-N 297.336 0.737 0 50 CCAA C[C@@]1(C(=O)O)CCN(C(=O)COC[C@H]2CCCO2)C1 299746048 UYMPFQAYMWXLHV-ZWNOBZJWSA-N 271.313 0.505 0 50 CCAA O=C(CCn1cccc1)Nc1cccn2nnnc12 524732266 AJUBZMXWRVLJLH-UHFFFAOYSA-N 256.269 0.955 0 50 CCAA COCCn1cncc1CN(C)[C@@H](C)C(=O)N(C)C 252506596 WBKIQXCADIHTRI-NSHDSACASA-N 268.361 0.438 0 50 CCAA CO[C@H]1CNC[C@@H]1N=c1nc(-c2ccccc2)[nH]o1 534671633 CJJGREZHMOGPHM-QWRGUYRKSA-N 260.297 0.557 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCOC(C)(C)C2)cn1C 549760611 OWBBWSSRWOOUBM-UHFFFAOYSA-N 264.325 0.945 0 50 CCAA COc1cccc([C@]2(CC(=O)O)CC(=O)N(C)C2=O)c1 299777515 HHYCQIVDXUQNQQ-CQSZACIVSA-N 277.276 0.796 0 50 CCAA CN(C)C(=O)[C@H]1CN(C(=O)CCCN2CCCC2)CCO1 827789287 DWMWTBJKPUQNRQ-CYBMUJFWSA-N 297.399 0.178 0 50 CCAA O=C(NCCCN1CCCC[C@H]1CO)c1ccc(CO)o1 828710812 JDTLWSGMQUUWJP-LBPRGKRZSA-N 296.367 0.739 0 50 CCAA Cn1ncnc1CCN[C@H]1CCC(=O)N(CC2CC2)CC1 584897042 IWSGMEACTVJOFS-ZDUSSCGKSA-N 291.399 0.738 0 50 CCAA O=C1NCCC[C@H]1n1cnc2c(F)cccc2c1=O 584886180 BYVXQHUTTIJTDJ-SNVBAGLBSA-N 261.256 0.987 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 269181985 LOZMQORAVYTVDN-LLVKDONJSA-N 286.291 0.814 0 50 CCAA COCc1nc(O)cc(NCc2c[nH]c(=N)s2)n1 1875331578 OEAJYLWIAFWIKU-UHFFFAOYSA-N 267.314 0.810 0 50 CCAA Cc1nnc([C@H]2CCCN2C(=O)C2OCCO2)o1 1875311680 JRPFVTMIBYYELF-MRVPVSSYSA-N 253.258 0.414 0 50 CCAA Cc1ccc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)cn1 1076035215 GQVCZOGTQDMDAJ-KGLIPLIRSA-N 299.334 0.968 0 50 CCAA Cc1cc(O)nc(N2CC[C@H](NC(=O)[C@@]3(C)C[C@H]3F)C2)n1 1875278692 WHKPFDWDUGKTPI-RBZYPMLTSA-N 294.330 0.934 0 50 CCAA O=C(O)COCCN1CCc2ccccc2[C@H]1C(=O)O 1875290721 ABFMIHINQDTQKC-ZDUSSCGKSA-N 279.292 0.772 0 50 CCAA C[C@H](ONC(=O)CN1CCCS1(=O)=O)c1ccncc1 1875298023 MAYXJOIOQZAADB-JTQLQIEISA-N 299.352 0.226 0 50 CCAA CC(C)n1cc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)O)C2)cn1 274930508 CHMKRDMNXHNDLW-UWVGGRQHSA-N 299.352 0.772 0 50 CCAA CN(C[C@@H](O)CN1CCOCC1)c1nccc2occc12 170024345 KHPJUHLQXMNCNS-GFCCVEGCSA-N 291.351 0.957 0 50 CCAA CC1(C)OC(C)(C)C(=O)N([C@@H]2CCSC2)NC1=O 634628196 SUQVAHJVYHGWPO-MRVPVSSYSA-N 272.370 0.939 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)CC[C@H]1CCO1 408521901 AFAQAIKIVYUDMY-RYUDHWBXSA-N 268.357 0.929 0 50 CCAA CC(C)[C@H]1OCC[C@@H]1C(=O)NCCNC(=O)N(C)C 225494032 KICNXCYHQUCNMF-WDEREUQCSA-N 271.361 0.435 0 50 CCAA NC(=O)C1(NC(=O)c2occ3c2CCC3)CCOCC1 671778974 ZUJIGTXSBWUTEN-UHFFFAOYSA-N 278.308 0.533 0 50 CCAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)[C@@H]1CCCN1 1506396566 JVSHRVZFRCTNTG-JTQLQIEISA-N 274.284 0.683 0 50 CCAA CS(=O)(=O)CC(=O)NC1CCC(F)(F)CC1 408020528 LKJCVZAFFXZQBT-UHFFFAOYSA-N 255.286 0.725 0 50 CCAA Cc1ncsc1CN(C)[C@H]1CS(=O)(=O)C[C@@H]1O 111617915 RUTDKRZZXHJLCP-IUCAKERBSA-N 276.383 0.041 0 50 CCAA Cc1nc(N2Cc3nc(C)n(C)c(=O)c3C2)n(C)n1 1704338487 CTYCSUMINUQIAA-UHFFFAOYSA-N 260.301 0.046 0 50 CCAA COc1ccc(N2Cc3nn(C)c(=O)n3C2=O)cc1 1547200895 ALQPPZYEAIKUFU-UHFFFAOYSA-N 260.253 0.579 0 50 CCAA Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4187462 NUCLJVGPKPYCHU-NSHDSACASA-N 253.323 0.912 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1ccncc1F 643764303 UBBZORJBSSYPDO-ZDUSSCGKSA-N 267.304 0.687 0 50 CCAA O=C(CN1C(=O)CC2(CCC2)C1=O)NCC1CC1 333557808 QCXPQXINSOBHCA-UHFFFAOYSA-N 250.298 0.442 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)Cc2cc(C)on2)N(C)C1 348214843 IGTCXCDHHIEOAZ-STQMWFEESA-N 281.356 0.703 0 50 CCAA COCC1(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)CC1 253428988 MEARBCSASSCVDP-ZJUUUORDSA-N 263.359 0.388 0 50 CCAA Cc1csc(NC(=O)N2C[C@H](O)C[C@H]2CO)n1 364363696 MUOQRZJZOUMOGF-JGVFFNPUSA-N 257.315 0.411 0 50 CCAA CC(C)N1C[C@H](CN(C)CCN2CCOCC2)CCC1=O 1857694014 WWJFLFQJJJOAMT-HNNXBMFYSA-N 297.443 0.897 0 50 CCAA Cc1cc(C(=O)N2CCCN(C[C@H](O)CO)CC2)c(C)o1 1772807062 PHYKRPOBMGIQDE-ZDUSSCGKSA-N 296.367 0.398 0 50 CCAA Cc1cc(N2CC[C@]3(CNC(=O)CO3)C2)cc(C)n1 1772814353 UTGQUSUNIFMBIG-AWEZNQCLSA-N 261.325 0.794 0 50 CCAA Cc1nc2c([nH]1)CN(CC[C@@H]1COCCO1)CC2 1775976982 DWSNIUPAYVRDOR-LLVKDONJSA-N 251.330 0.882 0 50 CCAA CCOC(=O)N1CCN(C[C@@H]2CCC(=O)N(C)C2)CC1 1772819546 OKPVDFJBHFWTRI-GFCCVEGCSA-N 283.372 0.629 0 50 CCAA Cc1ccccc1C(=O)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772710279 PYTQNFUCMUPKNQ-CHWSQXEVSA-N 261.321 0.668 0 50 CCAA CCNS(=O)(=O)c1ccc(OC)c(C(=O)O)c1 16623718 WCIDQZOQJOGWRO-UHFFFAOYSA-N 259.283 0.692 0 50 CCAA CC(C)n1cc(B(O)OC(C)(C)C(C)(C)O)cn1 169980817 YDEMYAMAYUFAMM-UHFFFAOYSA-N 254.139 0.718 0 50 CCAA CN1CCOC2(CCN(CC[C@@H]3COCCO3)CC2)C1 1857696387 YFARMMDONLZJHI-CQSZACIVSA-N 284.400 0.589 0 50 CCAA O[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@H]1Cc1cnccn1 1857712696 MNFHDHQEXKDICF-ZWNOBZJWSA-N 296.334 0.788 0 50 CCAA CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 2499857 KLLVJSXJXKQICM-QWRGUYRKSA-N 276.402 0.963 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)c1cc(C(C)C)n(C)n1 225438421 PZZUBBSMKTYORL-LLVKDONJSA-N 278.356 0.894 0 50 CCAA COc1cc(CC(=O)N2CCNC(=O)C[C@@H]2C)ccn1 669213246 WFSYBUCHQDRVPV-JTQLQIEISA-N 277.324 0.370 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@H](C)c1csnn1 910469824 OUMXDFUPMGILEN-MRVPVSSYSA-N 268.342 0.750 0 50 CCAA N[C@@H]1CCN(C(=O)Cc2ccn(CC(F)(F)F)n2)C1 911659836 FLSBGKZAGJRWNP-MRVPVSSYSA-N 276.262 0.548 0 50 CCAA CO[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1c1cnn[nH]1 818520680 NKWMCIYYGNJDMU-GXSJLCMTSA-N 275.312 0.696 0 50 CCAA Nc1ncccc1CN1CC[C@@]2(CCCNC2=O)C1 91620840 OEYDZBMJRKDVCP-AWEZNQCLSA-N 260.341 0.766 0 50 CCAA CCc1ncnc(NCC2(S(N)(=O)=O)CCC2)c1F 721588602 WOOCDLUMRLVYMR-UHFFFAOYSA-N 288.348 0.801 0 50 CCAA O=C1NCC[C@@H]1N1C(=O)NC2(CC(C3CCC3)C2)C1=O 2325788290 WQVGHRSTYULNBU-XIRUVYRFSA-N 277.324 0.376 0 50 CCAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2cn[nH]c2)C1 2356140453 JPSUXBQPFZOKDA-OAHLLOKOSA-N 298.350 0.732 0 50 CCAA C(Cc1nnc2n1CCOCC2)CN1CCOCC1 2356167184 URAPBOFSSJOXDJ-UHFFFAOYSA-N 266.345 0.116 0 50 CCAA CCN(CC)C(=O)CN1C(=O)[C@H]2CCC(=O)C[C@H]2C1=O 4696780 HCVODTZKOAMLJM-WDEREUQCSA-N 280.324 0.209 0 50 CCAA COc1ccc(NC(=O)C[C@H]2NCCNC2=O)c(OC)c1 9483964 QVTJXYPNMNRGMG-LLVKDONJSA-N 293.323 0.120 0 50 CCAA O=C([C@@H]1CCc2nncn2C1)N1CCC(CCCO)CC1 332611928 ULSCDNRXIUZVOT-CYBMUJFWSA-N 292.383 0.852 0 50 CCAA COC(C)(C)CC(=O)N1CCOC[C@@H]1CC(=O)O 230927664 BPNMXEHACGXLMQ-VIFPVBQESA-N 259.302 0.504 0 50 CCAA COC(=O)N[C@@H](C)C(=O)Nc1cnc2n1CCCC2 67805700 DJTMGCAHENCBGB-QMMMGPOBSA-N 266.301 0.902 0 50 CCAA CN(C)CC(=O)N(C)C[C@H]1CCn2ccnc2C1 328622368 BFPFPRYCXJJOEX-NSHDSACASA-N 250.346 0.466 0 50 CCAA CC[C@H](CCCc1c(O)nc(N)nc1O)C(=O)O 39438672 AVTNFXVHJKXNSU-ZCFIWIBFSA-N 255.274 0.904 0 50 CCAA Cc1ncccc1C(=O)N[C@@]1(C(N)=O)CCCOC1 366880567 OHPUIHOWVXOOCE-ZDUSSCGKSA-N 263.297 0.154 0 50 CCAA O=C(c1cnccn1)N1CCC(O)(c2cccnc2)CC1 219807191 JLBMYYLVNBOGJZ-UHFFFAOYSA-N 284.319 0.995 0 50 CCAA COc1ccc(S(=O)(=O)N2CC[C@H]3CNC[C@H]32)c(C)c1 368635555 SARHAHZADPJZLQ-WCQYABFASA-N 296.392 0.986 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(CC)C1 336117914 VAWNDGMKXCCHIB-WDEREUQCSA-N 254.330 0.840 0 50 CCAA CN1CC[C@@H]2OCCN(c3nccn4cnnc34)[C@@H]2C1 284452272 CVFBSWXWMLYFSE-MNOVXSKESA-N 274.328 0.034 0 50 CCAA O=C(NCCOc1ccc2c(c1)OCO2)[C@H]1C[C@H]1C(=O)O 262635037 OYPZYAZGODRKLI-VHSXEESVSA-N 293.275 0.631 0 50 CCAA CCc1nc(C)cc(N2CC[C@@](O)(c3c[nH]nn3)C2)n1 284630881 TYHDRHAKXMEYQV-ZDUSSCGKSA-N 274.328 0.563 0 50 CCAA O=C1NC(=O)[C@H](CCC(=O)N2CCCCCC2)N1 46463395 IQJXJISUAGBBNN-VIFPVBQESA-N 253.302 0.377 0 50 CCAA CN(CCCc1nccn1C)C(=O)[C@H]1CCCO1 223330251 ICZKCACTSSHWIM-LLVKDONJSA-N 251.330 0.990 0 50 CCAA CCCOC[C@@H]1CCN(C(=O)c2cncc(=O)[nH]2)C1 426422080 ZEMMCNSISDSTBU-SNVBAGLBSA-N 265.313 0.659 0 50 CCAA O=C1OCCN1CCN1CCC[C@H]1[C@@H](O)C(F)(F)F 222069536 KKBMDBPGXQYASG-DTWKUNHWSA-N 282.262 0.826 0 50 CCAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1COC(=O)N1 426514615 HMDQBQGTEYPDSJ-JTQLQIEISA-N 266.301 0.184 0 50 CCAA CCn1cnnc1CCn1cc(-c2nccn2C)nn1 91586388 UDLCRWBWGWXHLH-UHFFFAOYSA-N 272.316 0.533 0 50 CCAA CCN1CCC[C@](C)(C(=O)NCCCn2ccnn2)C1 95359469 GHOUHYCEDKUGIZ-AWEZNQCLSA-N 279.388 0.906 0 50 CCAA COc1cccc2c1OC[C@H](CNS(C)(=O)=O)C2 95390897 MNGQUNXDZJPEHR-VIFPVBQESA-N 271.338 0.796 0 50 CCAA Cc1cc(C)n(CCNC(=O)[C@@H]2COCCO2)n1 97528083 BJBMLWFGUHFOOK-NSHDSACASA-N 253.302 0.032 0 50 CCAA O=C(O)c1cncnc1N1CCC2(CC1)OCCC[C@@H]2O 95365745 DOWVYOCBACQUCM-NSHDSACASA-N 293.323 0.685 0 50 CCAA O=C(NCCc1c(F)cccc1F)[C@@H]1C[C@H](O)CN1 299749602 KYVAGKRTVPLVOB-UFBFGSQYSA-N 270.279 0.346 0 50 CCAA C[C@@H]1C[C@H](N(C)C(=O)[C@]2(C)CCNC2)CCN1C 299739535 PSZWLOFMBDIYRS-YRGRVCCFSA-N 253.390 0.927 0 50 CCAA O=C(C1CCCC1)N1CC[C@]2(O)CCNC[C@H]2C1 253495497 GUHWKEHXYBHXIT-GXTWGEPZSA-N 252.358 0.750 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)n1 534663953 KOBZRRXVXHSWDJ-VXGBXAGGSA-N 276.340 0.436 0 50 CCAA C[C@H](NC(=O)CN1CCOCC1)c1cn2ccsc2n1 299773402 AEFXIMQSJFTYCC-JTQLQIEISA-N 294.380 0.905 0 50 CCAA CCN1C[C@@H](CN=c2[nH]cnc3[nH]ccc23)CC1=O 651422430 ZRMNOKWNWHPCDD-SECBINFHSA-N 259.313 0.660 0 50 CCAA CCN(C)S(=O)(=O)NCc1cnc(C)c(C)c1 823086641 DPKBOJWMZQPBBX-UHFFFAOYSA-N 257.359 0.985 0 50 CCAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1 584897033 VRHOCAWOSUGXOG-ITGUQSILSA-N 268.357 0.487 0 50 CCAA CC(C)Cc1cc(CNC(=O)c2ccc(=O)n(C)n2)on1 584897605 PQGPKLCBXDOVFI-UHFFFAOYSA-N 290.323 0.897 0 50 CCAA C[C@H](NC(=O)c1cnn2ccn(C)c12)c1nnc(N)s1 584885321 FBDKNDKCFBIMJR-LURJTMIESA-N 291.340 0.598 0 50 CCAA CCCCCOCC(=O)NCCCn1cncn1 585146007 YHYUMOJTHANDRR-UHFFFAOYSA-N 254.334 0.991 0 50 CCAA C[C@H](NC(=O)N1CCSCC1)c1nc(N)n[nH]1 670440189 XPNWNPPJCVXTOQ-LURJTMIESA-N 256.335 0.206 0 50 CCAA Cc1cc(C(=O)N2CCC([C@@H](O)C(=O)O)CC2)c[nH]1 1875306841 DJSUKTNBSFCINQ-LLVKDONJSA-N 266.297 0.621 0 50 CCAA Cn1cnc2c1CCN(C(=O)CN1CCCCC1)C2 1875321831 XNJSTACCOQYLLE-UHFFFAOYSA-N 262.357 0.791 0 50 CCAA O=C1C[C@@H]2COCCN2C(=O)[C@H](Cc2ccccc2)N1 1875290380 YZUMJDSNCZHZAO-OLZOCXBDSA-N 274.320 0.345 0 50 CCAA C[C@@H](c1ccon1)N(C)C(=O)[C@H]1CCCN(CC(N)=O)C1 952964296 PDCJEIQGSZOQMR-QWRGUYRKSA-N 294.355 0.391 0 50 CCAA Cc1cccc(CONC(=O)Cc2cncn2C)n1 898931741 BGQJMPNRFFEJAO-UHFFFAOYSA-N 260.297 0.914 0 50 CCAA C[C@]1(C(=O)NOCCOCCO)C[C@H]2CC[C@H]1C2 1775999710 UQUVKFNOVAIUPK-GVXVVHGQSA-N 257.330 0.869 0 50 CCAA COCCn1cc(C(=O)N[C@@H]2C[C@@H](N)C23CCC3)cn1 1775961217 HMYQTECEPSJVMH-VXGBXAGGSA-N 278.356 0.529 0 50 CCAA Cn1cccc1C(=O)NCCS(=O)(=O)C(F)(F)F 585131059 KFINTTXGNASAII-UHFFFAOYSA-N 284.259 0.690 0 50 CCAA CS(=O)(=O)c1cc(NC(=O)[C@H]2CCCO2)ccn1 585124646 LCEFUCQLMLJCMM-SECBINFHSA-N 270.310 0.603 0 50 CCAA COc1ccc(S(=O)(=O)NCCn2cnnc2)c(C)c1 585114446 AMJMHJFLXSEAGS-UHFFFAOYSA-N 296.352 0.574 0 50 CCAA CN1CCN(C(=O)Nc2ccon2)C[C@@H]1c1nccn1C 276003016 PDPMDPPWYZGHOW-SNVBAGLBSA-N 290.327 0.929 0 50 CCAA O=C(NS(=O)(=O)N1CCCCC1)C1=CCOCC1 170609455 HGCCPJDNHQNOFL-UHFFFAOYSA-N 274.342 0.180 0 50 CCAA CCc1ncnc(N2CCn3c(O)nnc3C2)c1F 408229364 QNIYZVVDEIRLIR-UHFFFAOYSA-N 264.264 0.495 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)C1CCOCC1 644072642 ZBSRUDVELHUYPZ-MCIONIFRSA-N 282.384 0.517 0 50 CCAA O=C(Cn1cccn1)N1CCN(c2cccc(O)c2)CC1 193160161 QZQGZPNIIDURNL-UHFFFAOYSA-N 286.335 0.938 0 50 CCAA O=C(O)[C@@H]1CC[C@@H](S(=O)(=O)N2CCSCC2)C1 712860113 STQRLRFJCDNUHT-RKDXNWHRSA-N 279.383 0.618 0 50 CCAA O=C(CN1CCC[C@](O)(c2cnn[nH]2)C1)NC1CCCC1 583618021 VCTKFHZTVDDTON-CQSZACIVSA-N 293.371 0.147 0 50 CCAA COCC(=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 210162861 WOUNFCBMXZPIGU-NEPJUHHUSA-N 293.319 0.739 0 50 CCAA C[C@H]1CCN(S(=O)(=O)N(C)Cc2cnn(C)c2)C1 408139309 OEUXHPJYPUKDMF-JTQLQIEISA-N 272.374 0.439 0 50 CCAA CNCC(=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704302464 LXCLYZDXJHCVFJ-CZUORRHYSA-N 299.374 0.816 0 50 CCAA Cc1cc(C(=O)N2CC[C@@]3(CO)CCCN[C@@H]3C2)no1 1704312229 GHDACQURZJRFCS-TZMCWYRMSA-N 279.340 0.560 0 50 CCAA C=CC(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1120553225 VAMMTVCWQCCVCF-SNVBAGLBSA-N 255.314 0.704 0 50 CCAA O=C(NCc1cnc2n1CCOC2)[C@@H]1NCC12CCCC2 1615555746 XOUBJUFVKNLRAD-ZDUSSCGKSA-N 290.367 0.562 0 50 CCAA C[C@@H](O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 34348930 LSCNANBNVFQJDJ-PRHODGIISA-N 269.251 0.825 0 50 CCAA in-vitro COCCNC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 12138867 NQIIUUJHUFISOL-UHFFFAOYSA-N 294.307 0.866 0 50 CCAA COCC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 11769029 CTGOWKPNXYDASX-HNNXBMFYSA-N 280.368 0.884 0 50 CCAA COc1ccc(CCNC(=O)C(=O)NC2CC2)cc1OC 2967145 NFBKBYZURIOKME-UHFFFAOYSA-N 292.335 0.641 0 50 CCAA COc1nc(C)cc(N2CCN([C@@H]3CCNC3)CC2)n1 521987745 MIJIJHPHOPTHRK-GFCCVEGCSA-N 277.372 0.278 0 50 CCAA CC[C@@](C)(N[C@H]1CCCN(CC(F)(F)F)C1=O)C(N)=O 390835672 USWUSCLNLGTJAN-GZMMTYOYSA-N 295.305 0.783 0 50 CCAA CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nnnn1C 904199405 JCFAUKVEANBFOJ-NSHDSACASA-N 286.295 0.126 0 50 CCAA C[C@@]1(O)CCOC2(CCN(CCS(C)(=O)=O)CC2)C1 1704316413 OQYSMEKVDGSPOA-GFCCVEGCSA-N 291.413 0.427 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1cc[nH]c1 818310296 UFQIHEBOHCDSOT-LBPRGKRZSA-N 252.270 0.721 0 50 CCAA O=C1CC2(CCN(CC[C@H]3COCCO3)CC2)CN1 1775978879 XCCPJRRPMZQXKE-LBPRGKRZSA-N 268.357 0.394 0 50 CCAA C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)O)c1nnc2ccccn12 252445736 DXEMGPZXQYZKFR-XHNCKOQMSA-N 274.280 0.627 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1n[nH]c(=O)c2ccccc12 262021676 MIQDZOFQMJZKDU-SECBINFHSA-N 272.308 0.357 0 50 CCAA O=C(O)CN1CCC(NC(=O)[C@H]2CC23CCC3)CC1 426667691 WYHOERSDHGTOFB-LLVKDONJSA-N 266.341 0.842 0 50 CCAA CC(C)n1cnnc1CSc1nnc(CN)n1C 426720050 ZKZPANKGZSGUDH-UHFFFAOYSA-N 267.362 0.739 0 50 CCAA OC[C@@H]1CNCCN1CCc1ccc2c(c1)CCO2 685943257 IYBVZRVGFIOZOE-AWEZNQCLSA-N 262.353 0.430 0 50 CCAA OC1(c2cn(CCO[C@H]3CCOC3)nn2)CCC1 899734872 ATBAAGKSUVNWHN-JTQLQIEISA-N 253.302 0.455 0 50 CCAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cccn1 1342977833 FZQLBRJAPNNMBM-TZMCWYRMSA-N 256.309 0.624 0 50 CCAA O=C(O)CNC(=O)CCNC(=O)OCc1ccccc1 1640092 ILRSNXOKMYEWSE-UHFFFAOYSA-N 280.280 0.504 0 50 CCAA CCOC(=O)C1=C(C)N[C@]2(O)c3ccccc3C(=O)[C@@]12O 6553093 AANNAPQFFOIMQA-GJZGRUSLSA-N 289.287 0.199 0 50 CCAA COC[C@@H](C)S(=O)(=O)NC(=O)c1cscn1 113699450 CQFCFUUMXPPMIK-ZCFIWIBFSA-N 264.328 0.238 0 50 CCAA Cc1nc[nH]c1-c1n[nH]c(=O)n1-c1ccc2c(c1)OCO2 67833563 NSLSSOCUEITJIG-UHFFFAOYSA-N 285.263 0.988 0 50 CCAA CC1(C)O[C@@H]2[C@H](O[C@@H]([C@H]3COC(C)(C)O3)[C@H]2O)O1 65740427 KEJGAYKWRDILTF-FHNUBNKASA-N 260.286 0.375 0 50 CCAA biogenic,in-vitro COc1cccc(CCCN2C[C@H](O)C[C@H]2C(N)=O)c1 252477305 LRRWUOCCPKTEIU-OCCSQVGLSA-N 278.352 0.548 0 50 CCAA C[C@H](O)C(C)(C)NC(=O)[C@H]1CCCCS1(=O)=O 145271232 OKMCJNIGODOHNW-DTWKUNHWSA-N 263.359 0.229 0 50 CCAA O=C1NCCN2CCN(C(=O)/C=C/c3ccccc3)C[C@H]12 65468364 OKAJCKHWTXUEGG-PSKZRQQASA-N 285.347 0.342 0 50 CCAA C[C@H](NC(=O)C1CCCC1)C(=O)N(C)[C@@H](C)CN 429350995 DYINZFBJDRBNFZ-UWVGGRQHSA-N 255.362 0.487 0 50 CCAA CCOC(=O)c1cnn(-c2nccc(OC)n2)c1N 253427413 ZOBNFHHTEXEVOV-UHFFFAOYSA-N 263.257 0.430 0 50 CCAA Cc1cnc(N)c(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1 362129270 KPSMEYOMDWWBFP-SECBINFHSA-N 299.352 0.458 0 50 CCAA C[C@@H]1c2nncn2CCN1Cc1cnc2cnccn12 330159370 QVFNRNQUBKMVKQ-SNVBAGLBSA-N 269.312 0.898 0 50 CCAA CCNC(=O)CN1C[C@@H](C)OC2(CCOCC2)C1 369294603 RMXWNZAPTGMXQT-LLVKDONJSA-N 256.346 0.392 0 50 CCAA CCCN(CC(=O)O)C(=O)c1cnn2cccnc12 262389836 QYITWYBZUBUWKO-UHFFFAOYSA-N 262.269 0.666 0 50 CCAA Cc1nc(O)nc(O)c1NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 333959405 JYYOSGYCGJHNFG-XLPZGREQSA-N 277.280 0.750 0 50 CCAA O=S(=O)(N1CCCC1)N1CCn2cncc2C1 72171298 JYRIGWVHRCMMJH-UHFFFAOYSA-N 256.331 0.039 0 50 CCAA Cc1cc(CC(=O)N2CCOC[C@H]2CC(=O)O)on1 72153689 KGBPYTIBUVWWJS-SECBINFHSA-N 268.269 0.228 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)c2ccc3nccn3c2)C1 178260633 CNLCXIDCVNCGLJ-SNVBAGLBSA-N 259.265 0.881 0 50 CCAA O=C(COC[C@@H]1CCCCO1)N1CCCNCC1 42355030 CNSGWOINHZVNOF-LBPRGKRZSA-N 256.346 0.394 0 50 CCAA Cc1nn[nH]c1C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 426739094 RPHFXDVVKOQTKD-NSHDSACASA-N 286.291 0.765 0 50 CCAA CN(C)Cc1cccc(CNC(=O)N2CC(O)C2)c1 426504033 PPCFWHLAHBBGGP-UHFFFAOYSA-N 263.341 0.634 0 50 CCAA CN(Cc1cnn(CCC(=O)O)c1)Cc1nccn1C 97522617 ANHMQVBWLGCNDD-UHFFFAOYSA-N 277.328 0.723 0 50 CCAA CCC[C@H](O)CNC(=O)c1cccc(C(=O)NC)c1 268647488 VREXTABPIHZRMR-LBPRGKRZSA-N 264.325 0.937 0 50 CCAA CCC[C@@H](O)CNC(=O)c1cccc(C(=O)NC)c1 268647487 VREXTABPIHZRMR-GFCCVEGCSA-N 264.325 0.937 0 50 CCAA Cn1cc(N2CC[C@@H](Sc3ncnn3C)C2=O)cn1 184152480 IOVXMEQOZQJIKD-SECBINFHSA-N 278.341 0.446 0 50 CCAA COCCCN1CCC[C@H](n2cnc(C(N)=O)n2)C1 299738896 IDNSBECNMQYPID-JTQLQIEISA-N 267.333 0.050 0 50 CCAA CCC[C@@H](C)N1C[C@H](C(=O)NCCC(=O)O)CC1=O 299751099 PMJINQSMDXEKBF-NXEZZACHSA-N 270.329 0.614 0 50 CCAA CC[C@H](NC(=O)CNS(C)(=O)=O)c1cc(C)ccn1 534639469 CCMXTADFXOLQMQ-JTQLQIEISA-N 285.369 0.507 0 50 CCAA CC[C@@H](C(=O)NCC1(O)CCN(C)CC1)N(C)CC 822554851 NGFACFMKDJVGNS-LBPRGKRZSA-N 271.405 0.290 0 50 CCAA COCCN1C[C@@H](C(=O)NCC(F)(F)F)CCC1=O 824412353 HFRIETALSGBPKX-QMMMGPOBSA-N 282.262 0.550 0 50 CCAA O=C(N1CCOCC1)N1CCC(N[C@@H]2CCSC2)CC1 584902644 SVQBADHZKXIOSN-CYBMUJFWSA-N 299.440 0.998 0 50 CCAA CC1=NO[C@H](C(=O)N2CCN(CCCCO)CC2)C1 584896772 CUPZPWIQBVQXCE-LBPRGKRZSA-N 269.345 0.068 0 50 CCAA O=C(O)[C@@H]1CC[C@H](C(=O)O)N(C(=O)C[C@@H]2CCCCO2)C1 585134510 XFBZUHQHHWUBBP-OUAUKWLOSA-N 299.323 0.722 0 50 CCAA Cc1nn(C)c(C)c1CN(C)S(=O)(=O)N1CCCC1 738396725 ZIZDKDDKJZUXMF-UHFFFAOYSA-N 286.401 0.809 0 50 CCAA CN1CCOC[C@H](CNC(=O)C(=O)Nc2ccccc2)C1 670459799 CWLPMYQRFOROBS-GFCCVEGCSA-N 291.351 0.320 0 50 CCAA O=C(c1ncccc1C1CC1)N1CCS(=O)(=O)CCO1 1875308500 IXXLQMZSGMYLNS-UHFFFAOYSA-N 296.348 0.761 0 50 CCAA C=CC(=O)N[C@H]1CS(=O)(=O)N(C)c2ccccc21 1875368173 XAKRFJSBTQCGKA-JTQLQIEISA-N 266.322 0.810 0 50 CCAA CN1CC[C@H](C(=O)NC2(CF)CCC2)S1(=O)=O 888092793 RRWDYSPFSQXPET-MRVPVSSYSA-N 264.322 0.029 0 50 CCAA O=c1cc(CN2CCC[C@H](n3nccn3)C2)[nH]c2ccnn12 1775996616 AMELLHHHUZHTNY-LBPRGKRZSA-N 299.338 0.451 0 50 CCAA Cc1ncc(C(=O)N2C[C@H]3CCCN[C@H]3C2)c(C)n1 1565525554 KXHOPJZXNWAFJS-YPMHNXCESA-N 260.341 0.917 0 50 CCAA CC1(C)NC(=O)CC[C@H]1NC(=O)CCc1ncc[nH]1 673155390 KFPZCUPIKLOVCM-SECBINFHSA-N 264.329 0.516 0 50 CCAA C[C@H]1C[C@@H](O)CCN1S(=O)(=O)N1CCCCC1 170091090 PJFILYWDTOQBOG-QWRGUYRKSA-N 262.375 0.562 0 50 CCAA CN1CC[C@](O)(CNC(=O)c2[nH]nc(C3CC3)c2Cl)C1 170079667 IYVMJNZABOUBJS-ZDUSSCGKSA-N 298.774 0.737 0 50 CCAA CN1CC[C@](C)(C(=O)N[C@H]2CCCn3nccc32)C1=O 636370890 BXWWEEXKALGCKW-IINYFYTJSA-N 276.340 0.703 0 50 CCAA C[C@@H]1[C@@H](C(=O)NCCN2CCCS2(=O)=O)C1(F)F 408231009 KCJCQMABWRCDBV-SFYZADRCSA-N 282.312 0.039 0 50 CCAA C[C@@H]1CN(C(=O)c2cccn2C)CCS(=O)(=O)C1 408392568 FWEOBCZQGLNIMX-SNVBAGLBSA-N 270.354 0.532 0 50 CCAA CCOCCC(=O)N1CCC[C@]1(COC)C(=O)O 643849381 ZSGBYTHJXMWMSW-LBPRGKRZSA-N 259.302 0.505 0 50 CCAA Cc1nn(C)c(C)c1NC(=O)CN1CCCC[C@@H](O)C1=O 644284027 GEUVXFPATUFKIT-LLVKDONJSA-N 294.355 0.349 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)Nc1nccn(C)c1=O 191911611 PPICIIOBLIIPLP-BDAKNGLRSA-N 251.286 0.534 0 50 CCAA CN(C)C[C@@]1(O)CCN(c2cc(C3CC3)ncn2)C1 95359394 CORKWKOQYDXOME-AWEZNQCLSA-N 262.357 0.857 0 50 CCAA Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cn1 1529139959 ZKJHBILLPWVSDX-UKRRQHHQSA-N 298.346 0.856 0 50 CCAA Cc1noc(C)c1CCC(=O)N1CC2(CNC(=O)N2C)C1 1857667189 LWMQPKOZWGXLGD-UHFFFAOYSA-N 292.339 0.460 0 50 CCAA Cc1noc(C)c1CN1C[C@@H](O)[C@H](CC(=O)O)C1 1857710875 VKKYLIGXQOFXIE-MWLCHTKSSA-N 254.286 0.559 0 50 CCAA Cc1cccc(C(=O)N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)n1 1704316543 UHTJGBAWPYEAAL-OKILXGFUSA-N 290.275 0.392 0 50 CCAA C[C@@H](Cn1cncn1)Nc1ncc(F)c(N(C)C)n1 1704331826 UZOYTQZWSPWCLO-QMMMGPOBSA-N 265.296 0.774 0 50 CCAA CCC(C)(C)OC[C@@H](O)CN1CCN(CCO)CC1 20819682 ASMNSGPPNDPFAZ-ZDUSSCGKSA-N 274.405 0.162 0 50 CCAA N[C@H]1CC12CC(NC(=O)c1cccc3c1CCNC3)C2 1615545384 GLYKATAWMCUINQ-WMEQCIOUSA-N 271.364 0.942 0 50 CCAA O=C1NCCc2[nH]c(I)cc21 150014350 SXASDKRGANURGV-UHFFFAOYSA-N 262.050 0.905 0 50 CCAA Cc1nn(C)c2c1[C@H](NC(=O)CN1CCCC1=O)CCC2 1857672713 KNQRNQVSJGZANY-LLVKDONJSA-N 290.367 0.845 0 50 CCAA Cc1cccnc1CNC(=O)[C@@]1(C)CCCNC1=O 335807152 KRVHPKGKGUEMHN-AWEZNQCLSA-N 261.325 0.923 0 50 CCAA COc1ncccc1CN1CC[C@@](O)(Cn2ccnn2)C1 671551793 OFTWKOPHVWFHOW-AWEZNQCLSA-N 289.339 0.319 0 50 CCAA O=C([C@H]1CC2(CCC2)CO1)N1CCC[C@H]1c1nn[nH]n1 1875301057 BLOXPBUKGRDNRQ-VHSXEESVSA-N 277.328 0.822 0 50 CCAA O=C(CN1C(=O)CNC1=O)N1CC=C(c2ccccc2)C1 1116521596 RZMOHEINJWIVRC-UHFFFAOYSA-N 285.303 0.464 0 50 CCAA Cc1cc(CN2CCCC[C@@H]2CS(N)(=O)=O)no1 931225286 GRZGSKYNTYMKRS-LLVKDONJSA-N 273.358 0.626 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)c2ccncc2)CC1 454765 IZOWKXSCDZVEIX-UHFFFAOYSA-N 283.353 0.189 0 50 CCAA CNC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(N)c2)C1 232275702 RRWKSYIAVHRWFP-GFCCVEGCSA-N 275.352 0.796 0 50 CCAA COC[C@H](C)OC[C@H](O)CN1CCC[C@H]1C[C@@H](C)O 252535627 GMLWGPDNDMDSSC-ZOBORPQBSA-N 275.389 0.634 0 50 CCAA CC(C)CN(CC(=O)O)C(=O)c1cccc(N)n1 379132370 BKJBFYDGVBFQKO-UHFFFAOYSA-N 251.286 0.847 0 50 CCAA O=S(=O)(Cc1ccccc1F)N1CC[C@@H]2CNC[C@@H]21 335649656 PHKQUNGVMAPKGY-MFKMUULPSA-N 284.356 0.949 0 50 CCAA CNC(=O)C[C@H]1NC(=O)N(c2ccc(F)cc2)C1=O 2325703195 YKEQSSIAWITXBM-SECBINFHSA-N 265.244 0.387 0 50 CCAA CNc1ncnc2c1cnn2C[C@@H](O)C[C@@H]1CCCO1 2325777305 UNECYINUCLDQJV-UWVGGRQHSA-N 277.328 0.798 0 50 CCAA NCC(=O)N1CCC(n2c(O)nc3cccnc32)CC1 2325796187 YTSUVERRYROYOC-UHFFFAOYSA-N 275.312 0.259 0 50 CCAA CSCC[C@H](NC(=O)c1cncc(O)c1)C(=O)O 2380380 COVIBUYNNLWFRQ-VIFPVBQESA-N 270.310 0.723 0 50 CCAA biogenic O=C(O)[C@H]1C[C@H](O)CN1C(=S)NCc1ccccc1 4866909 RCYFQLYRPLPVHD-WDEREUQCSA-N 280.349 0.581 0 50 CCAA COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(N)=O 6728582 YKRVSNWFLSXZNX-UHFFFAOYSA-N 292.744 0.454 0 50 CCAA CC(C)c1nnc2c(=N[C@H](C)CC(=O)O)[nH]ccn12 416425678 JILLMARGVDUHTR-MRVPVSSYSA-N 263.301 0.945 0 50 CCAA CN1CC[C@@H](NC(=O)c2n[nH]c3ccccc23)C1=O 172466392 GKBWUKVTBSXMBL-SNVBAGLBSA-N 258.281 0.523 0 50 CCAA CS(=O)(=O)Cc1noc(C[C@@H](N)c2ccccc2)n1 52788413 NYJADZYSJNPYSF-SNVBAGLBSA-N 281.337 0.857 0 50 CCAA O=C(NCCN1CCNCC1)c1cccc2cccnc12 22501085 ZCXLFKYZVQWAFI-UHFFFAOYSA-N 284.363 0.870 0 50 CCAA C/C=C/C[C@H](CO)NC(=O)[C@@H]1CCc2cnn(C)c2C1 282407697 QRBGOFBKNUKUSO-NAGRZINJSA-N 277.368 0.968 0 50 CCAA O=C1CC2(CN(c3ncnc4ccsc34)C2)NCCN1 606445125 NRSGKAVJDSPBFF-UHFFFAOYSA-N 289.364 0.360 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)N1CCCCC1 257365414 GQXARVLWXCJMGI-OLZOCXBDSA-N 287.429 0.886 0 50 CCAA O=C([C@@H]1CSCN1)N1CCO[C@@H]([C@H]2CCCO2)C1 122010645 YIEBGOAUFVZLIY-HBNTYKKESA-N 272.370 0.055 0 50 CCAA O=C(NOCCN1CCCC1=O)[C@@H]1CCCC12OCCO2 856044516 LJBTVIHJCFKWBH-NSHDSACASA-N 298.339 0.200 0 50 CCAA CC(C)COCCC(=O)Nc1ccn([C@@H]2CCNC2)n1 328631077 QODNJODYCLEMQQ-GFCCVEGCSA-N 280.372 1.419 0 50 CCAA CS(=O)(=O)NCCNC(=O)C[C@@H]1CCc2ccccc21 216334407 PQKPSBHTBGUEPH-LBPRGKRZSA-N 296.392 0.772 0 50 CCAA CC(C)n1ncnc1CN1CCS(=O)(=O)CC[C@H]1C 434491874 DQNCPMZIUFPWBF-LLVKDONJSA-N 286.401 0.868 0 50 CCAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)C)C1 72437174 PPHLVYKOQZAIIK-SNVBAGLBSA-N 291.417 0.420 0 50 CCAA CO[C@H]1CNC[C@@H]1Nc1nnnn1-c1ccccc1 36268175 SCBNCXQMPXMIII-QWRGUYRKSA-N 260.301 0.061 0 50 CCAA c1nc2c(c(NCc3nnc4n3CCC4)n1)CCNCC2 72429507 QPLOEUCIDZWWFC-UHFFFAOYSA-N 285.355 0.315 0 50 CCAA CN(C)c1cc(NCCN2CCC[C@@H](C(N)=O)C2)ncn1 32529671 WQJXZVDJESDLBY-LLVKDONJSA-N 292.387 0.152 0 50 CCAA Cc1cnc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cn1 315189168 KEQJNINDRJRQHB-UHFFFAOYSA-N 295.302 0.952 0 50 CCAA Cn1cc(S(=O)(=O)N[C@@H]2CCCNC2)nc1Cl 237804650 MKXUMNVUAPCUII-SSDOTTSWSA-N 278.765 0.104 0 50 CCAA N[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 237939056 CGLXYUOAHSHVAI-JHJVBQTASA-N 277.372 0.644 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cncn2C)[C@@H]2CCO[C@@H]21 219742393 WFQGXJPASTTXCW-QSFUFRPTSA-N 265.313 0.200 0 50 CCAA Cc1cnc(C(=O)N2CCC[C@]3(CC2)CNC(=O)O3)cn1 72120743 FVWPSEIJYHMXAS-AWEZNQCLSA-N 290.323 0.890 0 50 CCAA Cn1cnnc1CCC(=O)NC1(C(=O)O)CCCC1 426523340 COXUAXAUTARCFO-UHFFFAOYSA-N 266.301 0.261 0 50 CCAA Cc1cc(C(=O)N2CCc3n[nH]cc3C2)c(=O)n(C)c1C 426544827 ATLAOPASYGSCSL-UHFFFAOYSA-N 286.335 0.924 0 50 CCAA C[C@H](C(=O)O)N(C)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 178282388 ZSAZRTUBCICENF-DSYKOEDSSA-N 296.245 0.375 0 50 CCAA COC[C@@H](O)CN(C)C(=O)c1cnc(NC(C)C)nc1 96180828 YGKPCYDJGBBSJJ-NSHDSACASA-N 282.344 0.376 0 50 CCAA CN1CCC[C@H](CCC(=O)NCCc2nnc(N)s2)C1 95373145 HGBHNMCHZBQTEJ-SNVBAGLBSA-N 297.428 0.901 0 50 CCAA O=S(=O)(O)CCC[n+]1ccn(Cc2ccccn2)c1 96503466 OSKDVTJHNSIZNA-UHFFFAOYSA-O 282.345 0.497 0 50 CCAA COc1cc(C(=O)N2CC[C@@]3(CCCNC3=O)C2)ccn1 91587243 PDUQBFLRNZHQKR-HNNXBMFYSA-N 289.335 0.833 0 50 CCAA Cc1nnc(N2CCC3(CC2)[C@@H](OCCN)C[C@H]3O)s1 91410496 IPVCMLUSWYYJHY-MNOVXSKESA-N 298.412 0.542 0 50 CCAA Cc1ccc(Cn2ncnc2CNS(C)(=O)=O)cc1 96150140 JOLHCSHKYWELHX-UHFFFAOYSA-N 280.353 0.684 0 50 CCAA COc1cccc2c1C(=O)N1C[C@H](N(C)C)C[C@H]1C(=O)N2 534651217 WQSLDJMXLDUUFV-KOLCDFICSA-N 289.335 0.792 0 50 CCAA CCOCC(C)(C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 355089871 FXCNWOMAPCFXEH-LBPRGKRZSA-N 299.415 0.328 0 50 CCAA C[C@@H](C(=O)NCc1nc(C(F)(F)F)n[nH]1)n1cccn1 360994996 HDOMOEJXCDFYQM-LURJTMIESA-N 288.233 0.897 0 50 CCAA CN(C)CCCC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299801949 QXAXXWXUTWKKIY-QWHCGFSZSA-N 293.371 0.292 0 50 CCAA CCCS(=O)(=O)NCC1(N(C)C)CCN(C)CC1 822993522 ADDRASUASNUTLC-UHFFFAOYSA-N 277.434 0.342 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)CCCn1cncn1 828025708 JBVGHRHRTDHKQZ-UHFFFAOYSA-N 288.355 0.412 0 50 CCAA CN1CCCN(C(=O)NCCc2nc(C3CC3)no2)CC1 823778675 UTUQNROQWNPTEP-UHFFFAOYSA-N 293.371 0.837 0 50 CCAA Nc1nc(CCCNC(=O)c2ccnnc2)cs1 827597819 PYETWPAXCJDDAO-UHFFFAOYSA-N 263.326 0.878 0 50 CCAA C[C@@H]1O[C@H](Nc2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O 584904325 QENQZHRGYAQHKK-CAXGQTPXSA-N 273.716 0.579 0 50 CCAA CNC(=O)[C@H]1CCN(Cc2[nH]cc(C)c(=O)c2C)C1 670451072 SCRIPCXAIUTUFJ-NSHDSACASA-N 263.341 0.560 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCC3(CC2)COC(=O)O3)C1 584887345 FBUSUZXKGGSGGP-VHSXEESVSA-N 268.313 0.642 0 50 CCAA COCCn1cnnc1CN(C)CCn1cccn1 670461849 VAQGYXDUOQGJMA-UHFFFAOYSA-N 264.333 0.253 0 50 CCAA O=C([C@@H]1CCO1)N1CCC(c2nnc(O)o2)CC1 1875266411 JXJVNBCYELCJEU-QMMMGPOBSA-N 253.258 0.270 0 50 CCAA CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1875286589 WNUAUGNSKSJIAY-CKYFFXLPSA-N 276.340 0.688 0 50 CCAA O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCCc2nn[nH]c21 1875274130 KYSXHVWIZKRODT-KXUCPTDWSA-N 262.313 0.899 0 50 CCAA O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCc1ccoc1 1875342779 GTHHFADIMPMPMQ-BKUVIOGVSA-N 261.277 0.985 0 50 CCAA O=C1CC2(CCC2)N(C(=O)[C@@H]2C[C@]23CCOC3)CCN1 874918111 JXAGOGSUXJOXEX-FZMZJTMJSA-N 278.352 0.684 0 50 CCAA O=C(NC[C@@]1(O)CCOC1)c1[nH]ccc1C1CC1 1775987736 HBKBJMRGDBYLKI-ZDUSSCGKSA-N 250.298 0.773 0 50 CCAA CC(C)[C@H](NC(N)=O)C(=O)N1Cc2ccc(O)cc2C1 1363097133 LHGFFJZIAZZPAN-LBPRGKRZSA-N 277.324 0.927 0 50 CCAA COc1cc(OC)nc(N[C@@H](C)C[S@](C)=O)n1 169042574 GDDLOETVYRVWNM-BWKAKNAASA-N 259.331 0.673 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1nccn(C)c1=O 277124214 ZCYIQCAQKAZCJY-ZJUUUORDSA-N 265.313 0.924 0 50 CCAA CCN1CCO[C@@H](C(=O)N2CCc3ccc(O)cc3C2)C1 225486091 CPNUJHWSPGNHOK-OAHLLOKOSA-N 290.363 0.998 0 50 CCAA COC(=O)Cc1csc(NC(=O)[C@@H]2CNC[C@H](C)O2)n1 595250916 USOMIEMRPYRQLO-CBAPKCEASA-N 299.352 0.174 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2cnccc2C)C1 644038366 JBZKTFFCIZFPDP-OAHLLOKOSA-N 291.351 0.493 0 50 CCAA CSC[C@](C)(O)CNC(=O)[C@H]1CCCc2nn[nH]c21 597278329 IGCJARYKGXEYLC-QPUJVOFHSA-N 284.385 0.455 0 50 CCAA CN1C(=O)CN(c2ccc(C(F)(F)F)nn2)CC1=O 192790274 PQNWJDVHCZFGJH-UHFFFAOYSA-N 274.202 0.300 0 50 CCAA Cc1ncn(CCn2cnnn2)c(=O)c1Br 711901966 KTUVSFASETYLJB-UHFFFAOYSA-N 285.105 0.001 0 50 CCAA O=C(O)c1cn([C@@H]2CCN(c3cnccn3)C2)nn1 568383254 VIYBDBNFTCUAHJ-MRVPVSSYSA-N 260.257 0.218 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H]1CCO[C@H](C(C)C)C1 657604338 LSKJRBCLEVZXJV-ZDEQEGDKSA-N 291.413 0.592 0 50 CCAA Cc1cc(C[C@H](C)NC(=O)c2ccc3c(c2)B(O)OC3)n[nH]1 584964499 IPDGNAHGONTMCO-VIFPVBQESA-N 299.139 0.297 0 50 CCAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nn1ccc(O)nc1=O 585128518 DJZDBCAJOHQZNT-LPEHRKFASA-N 263.297 0.845 0 50 CCAA COC(=O)C[C@@H](NC(C)=O)C(=O)N(C)C[Si](C)(C)C 585127009 NKMWNZUCNIHBBY-SNVBAGLBSA-N 288.420 0.390 0 50 CCAA COc1cccc(C(=O)NS(=O)(=O)[C@H]2CCOC2)c1 733725702 RCEBEQHOFHXFIW-NSHDSACASA-N 285.321 0.544 0 50 CCAA O=C(C1CCC1)N1CCC(NCCn2ccnn2)CC1 1506429337 SBVILNKJSGMCPO-UHFFFAOYSA-N 277.372 0.659 0 50 CCAA COCCN(C)c1cncc(C(=O)N2CCCC2)n1 1529119495 XHEBLVMGSVDUCI-UHFFFAOYSA-N 264.329 0.795 0 50 CCAA O=C(N[C@H]1CCNC[C@@H]1O)c1ccc(SCCO)cc1 220007210 CYBUVIZBLBAQEV-STQMWFEESA-N 296.392 0.224 0 50 CCAA O=C(NCCc1ccc(Cl)s1)[C@@H]1C[C@H](O)CN1 226318564 XCNAAYBMIUBPIY-CBAPKCEASA-N 274.773 0.783 0 50 CCAA O=C1C[C@H](NS(=O)(=O)CC2CCC2)[C@H]2CCCCN12 328740424 NCALNCJKXZAZTO-NWDGAFQWSA-N 286.397 0.859 0 50 CCAA O=C(CCN1C(=O)CCC1=O)NCc1ccccc1 7916433 NFFSEZJHZHRVSB-UHFFFAOYSA-N 260.293 0.842 0 50 CCAA COCCn1cc(C(=O)NC2CCC3(CC2)C[C@@H]3N)cn1 1615545128 DLOWQNZGSBMYMH-OWYJLGKBSA-N 292.383 0.919 0 50 CCAA COc1ncnc(N(C)C)c1NC(=O)NC1CC1 162306634 MFBWTSLTOXZWBY-UHFFFAOYSA-N 251.290 0.835 0 50 CCAA O=C(Cn1nc2c(cc1=O)COCC2)NCc1ccccc1 1565524290 HUSFPSVWUOAMFY-UHFFFAOYSA-N 299.330 0.632 0 50 CCAA CCc1nc(N2CCC([C@H](O)CO)CC2)ncc1C 1772817132 INHIPCSYYVVTBB-CYBMUJFWSA-N 265.357 0.917 0 50 CCAA CN(C)c1cccc(C(=O)N2CC3(CNC(=O)N3C)C2)c1 1857678301 UQMHKSBCQAOLNK-UHFFFAOYSA-N 288.351 0.602 0 50 CCAA CCC[C@@]1(CO)CN(c2ncc(C)c(=N)[nH]2)CC[C@H]1O 1857717791 YGSDJGGVEKRQJY-RISCZKNCSA-N 280.372 0.547 0 50 CCAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)c1cn([C@H]2CCCNC2)nn1 333572546 MQJDRLMNNVWXTH-SRRSOLGSSA-N 291.355 0.252 0 50 CCAA O=C1NC[C@@H](O)CC12CCN(Cc1ccnc(F)c1)CC2 932831242 JEHBAENUGNIULV-LBPRGKRZSA-N 293.342 0.684 0 50 CCAA O=C1[C@H](N2CCc3ccnc(O)c3C2)CCN1C1CC1 330250190 GSJMAWFALIEIOG-CYBMUJFWSA-N 273.336 0.909 0 50 CCAA O=C(CN1CC[C@H](O)[C@H](CO)C1)NCc1cccs1 396810581 QNTUADOTQQAWEH-JQWIXIFHSA-N 284.381 0.039 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)NCCc2nccs2)C1 2100482932 GUCYTZSHCAIOSH-NXEZZACHSA-N 269.370 0.114 0 50 CCAA CC[C@H](N)C(=O)N1C[C@H](C)N(CCOC)[C@H](C)C1 408513896 OOQNCYUPRVYFLY-TUAOUCFPSA-N 257.378 0.291 0 50 CCAA COc1cc([C@H](C)NCCN)ccc1S(C)(=O)=O 2325821977 RLBWXEFBGXIHTK-VIFPVBQESA-N 272.370 0.708 0 50 CCAA C[C@@](O)(CNC[C@H]1CCCN1S(C)(=O)=O)C(F)F 905187637 MMLNMQZUNRCNCW-PSASIEDQSA-N 286.344 0.016 0 50 CCAA CCOC(=O)[C@@]1(O)c2ccccc2NC(=O)N1C 186371 JTSCOSPQXISEEQ-LBPRGKRZSA-N 250.254 0.872 0 50 CCAA CN1CC[C@H](O)[C@H](C(=O)NCc2cc(C3CC3)n[nH]2)C1 2356142027 AGLKIBMIHJDNGM-YPMHNXCESA-N 278.356 0.216 0 50 CCAA Cc1cc(C)[n+](CCOCC[n+]2c(C)cc(C)n2C)n1C 3144313 AFVJWYIBIYOQEW-UHFFFAOYSA-N 292.427 0.889 0 50 CCAA C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccn[nH]1 113085333 CEOWZVISFPVZEX-HTQZYQBOSA-N 259.331 0.303 0 50 CCAA NC1CCN([C@H]2CCN(C(=O)[C@H]3CCCS3)C2)CC1 131889424 GYMXVEFBFNLURX-QWHCGFSZSA-N 283.441 0.906 0 50 CCAA CCC(=O)c1ccc(OCC(=O)NCCOCCO)cc1 55089057 IYDMUPACDSTAMT-UHFFFAOYSA-N 295.335 0.783 0 50 CCAA Cc1cc(N)n(CC(=O)N(C)Cc2c[nH]nc2C)n1 1506426891 QLLPSLLHGRIXHE-UHFFFAOYSA-N 262.317 0.464 0 50 CCAA COc1cccc2c1OC[C@H](C(=O)Nn1cnnc1)C2 67820081 GCLUTVIZAIRSKO-SNVBAGLBSA-N 274.280 0.608 0 50 CCAA CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCC2)CC1 170877414 BIUBPDVKLAPJPB-ZDUSSCGKSA-N 279.384 0.552 0 50 CCAA O=C1COc2c(F)cc(N3C[C@@H](C(=O)O)CC3=O)cc2N1 65396406 CHVPONDZZDFCPQ-LURJTMIESA-N 294.238 0.594 0 50 CCAA CCN1CCN(C(=O)[C@H](C)COC)C[C@@H]1c1ncc[nH]1 328642750 YLNBMNSNAYQNGN-VXGBXAGGSA-N 280.372 0.897 0 50 CCAA Cc1cnc(C)c(N2CCc3c([nH]n(CCO)c3=O)C2)n1 65462520 JKSZXSHFJAXFCE-UHFFFAOYSA-N 289.339 0.138 0 50 CCAA Cc1noc(C)c1[C@@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 152576703 VCSPIORCHLZZRH-KWQFWETISA-N 279.340 0.989 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N1CCC(n2cnnc2)CC1 215679429 SASHEXCPYDUVNY-UHFFFAOYSA-N 286.339 0.967 0 50 CCAA CC(C)CN1CC[C@@H](C(=O)N(C)[C@@H](C)C(=O)O)C1 521366018 USUVFIIDQKMBHL-WDEREUQCSA-N 256.346 0.896 0 50 CCAA O=C(C[C@H](O)Cc1ccccc1)N1C[C@H](F)C[C@H]1CO 487372467 XMJKZGVJGSTCIY-HZSPNIEDSA-N 281.327 0.911 0 50 CCAA CCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 39271061 MNMDZSAWTQOEHX-BDAKNGLRSA-N 259.302 0.920 0 50 CCAA in-vitro O=C(O)CCNC(=O)Nc1ccc(C2CC2)nn1 262976449 BGKPWMNIEZGFLN-UHFFFAOYSA-N 250.258 0.950 0 50 CCAA C[C@H](N)C(=O)N1CCC[C@@H](Cc2nccn2C)C1 157534740 DWEJJUOJGUACOD-QWRGUYRKSA-N 250.346 0.548 0 50 CCAA CN(CCCc1cnn(C)c1)C(=O)[C@@H]1CCCCN1 71748351 YKKDMIMQGHEWSU-ZDUSSCGKSA-N 264.373 0.953 0 50 CCAA Cc1ccc2nc(CNC(=O)[C@H]3NCCO[C@@H]3C)cn2c1 262287736 OLCUAIUCOASBPP-RISCZKNCSA-N 288.351 0.636 0 50 CCAA C[C@H](Nc1ccnc2c1cnn2C)C(=O)N1CCOCC1 341849735 YGIZWNGKMGCRLM-JTQLQIEISA-N 289.339 0.628 0 50 CCAA CS(=O)(=O)CCC(=O)NCCc1ccc(O)cc1 242500104 BTXSIROGRVJEEF-UHFFFAOYSA-N 271.338 0.486 0 50 CCAA CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 72171175 SHNSHFNXCQVKDW-HNNXBMFYSA-N 292.383 0.816 0 50 CCAA COCCN1CCCN([C@H](C)c2noc(C)n2)CC1=O 377733646 XQGQXZFTHXJTKT-SNVBAGLBSA-N 282.344 0.620 0 50 CCAA C[C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1C(N)=O 285749672 ZITLRKYAUJSERQ-MWLCHTKSSA-N 263.297 0.040 0 50 CCAA CN1CCO[C@H](C(=O)N2CCO[C@H]3CCCC[C@H]32)C1 241775929 RQHPOWFZIUMPGR-AGIUHOORSA-N 268.357 0.487 0 50 CCAA Cc1cccc2c1ccn2CC(=O)N1CCNC(=O)C1 44900550 QZDGYMABCIXCFI-UHFFFAOYSA-N 271.320 0.908 0 50 CCAA Cc1cccc(CS(=O)(=O)N2CC[C@H](N)C2)c1 178902157 YCQYQFTUTQFPBF-LBPRGKRZSA-N 254.355 0.858 0 50 CCAA COc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCCN1 178029334 VYNHJQBRESJJGZ-NWDGAFQWSA-N 264.325 0.597 0 50 CCAA CC(C)(C)n1cnc(C(=O)N2CCc3[nH]ncc3C2)n1 292344868 BONUWNFVWDNWSH-UHFFFAOYSA-N 274.328 0.955 0 50 CCAA COc1ccc2nc(N3C[C@H](O)[C@@H](O)C3)c(C)nc2c1 292941883 BFXZBAIRLIYKLS-STQMWFEESA-N 275.308 0.489 0 50 CCAA Nc1cc(-c2ccncc2)nc(N2CCOCC2)n1 97514285 JFHLSSKOWWHCPJ-UHFFFAOYSA-N 257.297 0.957 0 50 CCAA COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(CC(C)C)C(=O)[C@H]13)O2 239173707 OMGBOXKFVDXULF-ZHPDPMBESA-N 265.309 0.597 0 50 CCAA CCN1CCC(C(=O)NCCc2c[nH]cn2)CC1 97528991 BEKVLVAGVNRHRM-UHFFFAOYSA-N 250.346 0.800 0 50 CCAA CO[C@@H]1CC[C@@H]2OCCN(C(=O)N3CCOCC3)[C@@H]2C1 181710873 NJJILAHXDCNXJR-UPJWGTAASA-N 284.356 0.707 0 50 CCAA CC(C)c1nnc(CN2CCN(c3nc[nH]n3)CC2)o1 244646906 GRINZMKVTVVCHM-UHFFFAOYSA-N 277.332 0.633 0 50 CCAA C[C@H]1CCN1Cc1cnc(N(C)CC(=O)O)nc1 534590908 STMZQNKQLOBSGI-VIFPVBQESA-N 250.302 0.592 0 50 CCAA O=C(O)c1cnn(CC(=O)N2CCOC[C@H]2C2CC2)c1 630180952 MJYKJRNYPBVVLA-NSHDSACASA-N 279.296 0.219 0 50 CCAA NC(=O)C1(NC(=O)c2cc[nH]n2)CCCCCC1 299794573 KUZWTVVYHQZBJI-UHFFFAOYSA-N 250.302 0.718 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2F)CN1 299772476 ZALDBMUNIMUKCS-KWQFWETISA-N 266.272 0.459 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)Cc1cc(O)nnc1O 827848279 CIXRDZXQMQQPSL-UHFFFAOYSA-N 291.311 0.129 0 50 CCAA CO[C@H]1CN(C(=O)C2CCN(C(=O)C(C)C)CC2)C[C@@H]1O 584896122 UCNANEHDAZYHEX-STQMWFEESA-N 298.383 0.099 0 50 CCAA CCn1cnnc1CN(C)C(=O)[C@H](C)Cn1cccn1 584899992 UDTMLOZATRNDAJ-LLVKDONJSA-N 276.344 0.789 0 50 CCAA CCN1CCN(C(=O)C[C@H]2CN(C(C)C)CCO2)CC1=O 584892663 IURVMJDKXLKSCX-ZDUSSCGKSA-N 297.399 0.176 0 50 CCAA CNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)ncc2O)C1 584896973 AKPYSMQVJQXJAI-SNVBAGLBSA-N 277.324 0.694 0 50 CCAA CNc1cccc(-c2cn(CCS(=O)(=O)NC)nn2)c1 1875282657 NNDMBKQSWXJTSU-UHFFFAOYSA-N 295.368 0.536 0 50 CCAA Cc1ccc2[nH]c(C(=O)N3C[C@@H](N)[C@H](N)C3)cc2c1C 1875270202 NNXDVUFVFGVNEX-VXGBXAGGSA-N 272.352 0.895 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CC[C@H](CC(=O)OC)C1 1875367439 BEZZMCYEZRDUCF-LLVKDONJSA-N 282.340 0.433 0 50 CCAA COCCN1CC[C@H](CNCc2cnc(C)nc2)C1 952979988 SXQOVJIIGHREJM-CYBMUJFWSA-N 264.373 0.843 0 50 CCAA CN1[C@H]2CC[C@H]1CC(O)([C@H](N)c1ccnn1C)C2 958527601 BAPFJWCTLOAQBE-JBLDHEPKSA-N 250.346 0.408 0 50 CCAA CC(C)C[C@@H]1CN(C)CCN1C(=O)CCc1cnn[nH]1 886600529 WPTPUPGXMPKMND-CYBMUJFWSA-N 279.388 0.926 0 50 CCAA O=C(c1cc2n(n1)CCCC2)N1CCO[C@@H]2COCC[C@@H]21 888784279 MZVOFAFUVNUFDJ-UONOGXRCSA-N 291.351 0.849 0 50 CCAA Cc1noc(C2CN(C(=O)c3ccc(C(N)=O)cc3)C2)n1 1771671840 USZJYAGPGHITPH-UHFFFAOYSA-N 286.291 0.717 0 50 CCAA C[C@H](Cn1cccn1)NS(=O)(=O)C1CC(F)(F)C1 1775992238 YGANFMRLTLEOJE-MRVPVSSYSA-N 279.312 0.989 0 50 CCAA N[C@H]1CN(C(=O)COC2CCNCC2)CC12CCC2 1775962516 PTCWHCAIFKQNAP-LBPRGKRZSA-N 267.373 0.095 0 50 CCAA CCc1nnc(C[C@@H]2CC[C@H](N=c3nn[nH]n3C)C2)o1 1775957959 UYICXTCKMCQMCO-BDAKNGLRSA-N 277.332 0.401 0 50 CCAA CS(=O)(=O)CCN[C@@H]1CN(c2ccccc2)C1=O 1335411286 DIMVMDKPIBAAQG-LLVKDONJSA-N 268.338 0.036 0 50 CCAA O=C(N[C@H]1[C@@H]2c3ccccc3CC[C@H]21)c1nnc(O)nc1O 1362270482 WZEQKLYQFNDGOH-GMTAPVOTSA-N 298.302 0.741 0 50 CCAA COCc1ccc(C(=O)N[C@H]2COCC[C@@H]2O)o1 1189265675 GFHNOSMDZOEJJW-UWVGGRQHSA-N 255.270 0.306 0 50 CCAA O=C(CC1CS(=O)(=O)C1)NCc1cc2cnccc2o1 1363217131 SDRZJPKRMIRMOJ-UHFFFAOYSA-N 294.332 0.879 0 50 CCAA COC[C@@H](C)N[C@H]1CCCN(c2nccn(C)c2=O)C1 275655376 UQXDITRTTMZQQA-NEPJUHHUSA-N 280.372 0.374 0 50 CCAA CCCCCOCC(=O)N(C)[C@@H](C(=O)OC)[C@@H](C)O 585089925 NUXGVAQBFCAYEY-ZYHUDNBSSA-N 275.345 0.574 0 50 CCAA CN1C(=O)CC[C@@H](C(=O)NCC(=O)O)[C@@H]1c1ccccc1 170047791 OFIUVQFXQMUYAP-RISCZKNCSA-N 290.319 0.797 0 50 CCAA CC(C)(C)OC(=O)N1CCOC[C@@]2(CNC(=O)C2)C1 97758887 HHBOIOAOXQTURG-ZDUSSCGKSA-N 270.329 0.760 0 50 CCAA in-vitro COC(=O)[C@H]1CCn2c(nnc2-c2cnn(C)c2)C1 601044019 GCIHYRYZHOGMRZ-QMMMGPOBSA-N 261.285 0.414 0 50 CCAA CNC(=O)[C@@H]1CCCN(c2nc(C)nc3c2cnn3C)C1 171943186 AZXQZKXPMQWNGF-SNVBAGLBSA-N 288.355 0.634 0 50 CCAA Cc1ccc(C(=O)N[C@H]2CCNC[C@@H]2O)cc1O 710368674 KWCGFQWQEVGTFO-JQWIXIFHSA-N 250.298 0.153 0 50 CCAA CC(C)(C(=O)O)n1cc(NC(=O)CCn2cccn2)cn1 663128964 SOSOMUMAPQUNNC-UHFFFAOYSA-N 291.311 0.928 0 50 CCAA CC(C)COCCN1CC[C@](O)(Cn2ccnn2)C1 671554472 AUVNCCACZXNTOT-CYBMUJFWSA-N 268.361 0.388 0 50 CCAA CN(C)C(=O)c1ccc(NCCc2nnc(N)s2)nc1 1704328513 JYSRCJXSEZULTB-UHFFFAOYSA-N 292.368 0.872 0 50 CCAA O[C@@H]1CCC[C@@]12CCCN(CCN1CCOCC1)C2 1704343640 LZHFASTZVMXOAJ-CABCVRRESA-N 268.401 0.946 0 50 CCAA Cc1noc(CNC(=O)C(F)(F)[C@@H](O)C(C)C)n1 1615585696 APPBJKTWZCEJAI-QMMMGPOBSA-N 263.244 0.646 0 50 CCAA CN(C)C1(CNC(=O)[C@]23CNC[C@H]2CCOC3)CCCC1 1615615466 QQTMHYFSMMQMOJ-CJNGLKHVSA-N 295.427 0.603 0 50 CCAA O[C@H]1CN(Cc2cscn2)C[C@@H]1N1CCCC1 216251647 CBRRXBHFNKDYNF-RYUDHWBXSA-N 253.371 0.784 0 50 CCAA O=C(C1Cc2ccccc2C1)N1C[C@@H]2CNC[C@@]2(CO)C1 1772712785 QETZAPAWFLRYLS-RDJZCZTQSA-N 286.375 0.442 0 50 CCAA CCOC(=O)N1CCC(N2C[C@H]3[C@@H](C2)C3(CO)CO)CC1 1772818764 KWVPWHKRYPHLRV-BETUJISGSA-N 298.383 0.140 0 50 CCAA Nn1ccc2c(cnc3nc(-c4ccccc4)nn32)c1=O 13638757 NJZSUXZLEXNYPA-UHFFFAOYSA-N 278.275 0.820 0 50 CCAA Cc1cccc(C)c1OCCNC(=O)[C@@H]1C[C@@H](O)CN1 152151699 RKNZMLLOJUFASV-OLZOCXBDSA-N 278.352 0.521 0 50 CCAA CN1CCN(C(=O)c2ccncc2)C[C@H]1c1ncc[nH]1 583623062 PIXCCJCDNBCNPL-LBPRGKRZSA-N 271.324 0.934 0 50 CCAA CCS(=O)(=O)N1CCN(Cc2ccccn2)CC1 19851981 LXNCQUGLDDBBAM-UHFFFAOYSA-N 269.370 0.549 0 50 CCAA COc1cncc(NC(=O)NCCN2CCO[C@H](C)C2)c1 932165502 LREGDNVSEGYULF-LLVKDONJSA-N 294.355 0.932 0 50 CCAA CN1CC[C@H](N2CCC(Cc3nccn3C)CC2)C1=O 116278446 KNMKJNGQISILII-ZDUSSCGKSA-N 276.384 0.905 0 50 CCAA COCC(COC)NC(=O)N1C[C@@H](C)C[C@@H](C(=O)O)C1 263104792 BGAAYPLCPNQUHX-VHSXEESVSA-N 288.344 0.400 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)CCN1Cc1cccc2c1OCO2 247434524 VKJMDPMIOUDWLZ-MNOVXSKESA-N 279.292 0.825 0 50 CCAA COc1cc(OC)[nH]c(=NCCN2CCCCC2=O)n1 405447516 NEIWYZJSCDNZDF-UHFFFAOYSA-N 280.328 0.340 0 50 CCAA CSC[C@H](NC(=O)Cc1c(C)noc1C)C(=O)O 426628935 YULRPRNZDVBURH-VIFPVBQESA-N 272.326 0.766 0 50 CCAA CN1C[C@@H](C(=O)NCC2CC3(C2)CC(C)(C)C3)NCC1=O 2325775903 AIBQSDNGGYGFMY-LBPRGKRZSA-N 293.411 0.749 0 50 CCAA CN1C[C@H](NC(=O)N2CCn3cccc3C2)CC1=O 921342633 XXBSAVSNJWEMGA-SNVBAGLBSA-N 262.313 0.244 0 50 CCAA Cc1cccn2cc(C(=O)N[C@@H](CO)CN(C)C)cc12 935979898 BITVAWPYWDQJLK-CYBMUJFWSA-N 275.352 0.900 0 50 CCAA CCC[C@@]1(C(=O)O)CN(C(=O)c2[nH]cnc2C)CC[C@H]1O 2356142952 OMVIPCKMTSFYPB-QMTHXVAHSA-N 295.339 0.796 0 50 CCAA CC1=C[C@@]23[C@H](C=C(C(=O)O)[C@@H]2COC(=O)[C@]3(O)CO)[C@H]1C 6031856 FWDDYLWFBHUEKH-ULEBWITMSA-N 294.303 0.106 0 50 CCAA Cc1cccn(CC(=O)NC2CCOCC2)c1=O 134326074 LOUOGVMKQFRWKH-UHFFFAOYSA-N 250.298 0.452 0 50 CCAA Nc1ccc(C(=O)N2CCC[C@]3(CCNC3)C2)cn1 67642562 TUJULCFDXRVEHP-CQSZACIVSA-N 260.341 0.880 0 50 CCAA O=C([C@@H]1CCCO1)N1CCCN(c2ncccn2)CC1 20149474 MVVTYGKIYJMEFB-LBPRGKRZSA-N 276.340 0.694 0 50 CCAA N[C@H](CNC(=O)c1ccc(N2CCCC2)nn1)C1CC1 137485348 AMCCAXQORXQQAL-LLVKDONJSA-N 275.356 0.544 0 50 CCAA CN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 20535670 YOCHKDQNRYUUQA-KGLIPLIRSA-N 287.363 0.438 0 50 CCAA COCC1(CNC(=O)[C@H]2C[C@@]23CCOC3)CCOCC1 332800216 RZTLGSORKYFXCU-IUODEOHRSA-N 283.368 0.972 0 50 CCAA CCN1CCN(C(=O)c2cc[nH]n2)C[C@@H]1c1nccn1C 328614208 AAFVOPJIVPYHSH-GFCCVEGCSA-N 288.355 0.662 0 50 CCAA C[C@H](NC(=O)CN1CCOCC1)c1cn2ncsc2n1 219278347 IQHDSRRWUAXMBN-VIFPVBQESA-N 295.368 0.300 0 50 CCAA CN(C)c1ccc(S(=O)(=O)N2C[C@H]3CC[C@H]2CN3)cc1 333239299 DNORHHHGEBEJRC-YPMHNXCESA-N 295.408 0.878 0 50 CCAA Nc1nc(C(=O)NCc2ccccc2-n2ccnc2)n[nH]1 71498165 OUPSUCRFRNZIMN-UHFFFAOYSA-N 283.295 0.503 0 50 CCAA COC(CN1CCC(C)(CN2CCN(C)CC2)CC1)OC 253426364 GWAAQJIEFULRFM-UHFFFAOYSA-N 299.459 0.955 0 50 CCAA CN(CCN(C)C1CC1)C(=O)[C@H]1CCc2nccn2C1 364393596 DIJCQDVKYFYPJK-LBPRGKRZSA-N 276.384 0.998 0 50 CCAA C=CC(=O)NCCC(=O)NC(C)(C)c1cnn(C)c1 490670151 FIECPXMDSADUPV-UHFFFAOYSA-N 264.329 0.464 0 50 CCAA Cn1nccc1CCNC(=O)[C@@H](O)c1ccc(F)cc1 215611987 OQUNWHLQVZYXTF-ZDUSSCGKSA-N 277.299 0.952 0 50 CCAA CO[C@H]1CCCC[C@@H]1NC(=O)C1=NN(CCO)C(=O)CC1 374226325 ACVXTKTXRDXVCM-JQWIXIFHSA-N 297.355 0.031 0 50 CCAA O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1ncccc1O 375892720 VSDXARXCVUJYKS-LLVKDONJSA-N 283.287 0.932 0 50 CCAA O=C(O)[C@H]1C[C@@H]1C(=O)NCCOc1ccc2c(c1)OCO2 262635034 OYPZYAZGODRKLI-UWVGGRQHSA-N 293.275 0.631 0 50 CCAA C[C@H](NC(=O)c1cccc(N2CCCNC2=O)c1)C(=O)O 262700400 KFPMDRKCHJGFDI-VIFPVBQESA-N 291.307 0.809 0 50 CCAA CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cncn2)nc1 221140050 SIXAUTXBBZJQQX-UHFFFAOYSA-N 289.339 0.942 0 50 CCAA NC(=O)C1CCN(c2cc([C@@H]3CCOC3)ncn2)CC1 426376263 BRXAITWKAQSUSI-LLVKDONJSA-N 276.340 0.682 0 50 CCAA CN1CCN(CC(=O)NCCc2cccnc2)C1=O 426581310 RCSXYZRKTFVDAQ-UHFFFAOYSA-N 262.313 0.108 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CCO[C@@H](C(=O)O)C1 49864775 YBXCCTUKYZRJBN-SECBINFHSA-N 272.688 0.604 0 50 CCAA CC(C)N1CCC[C@@H](C(=O)NCCn2ccnn2)C1 426504639 SGTIRWNXLYRSJD-GFCCVEGCSA-N 265.361 0.515 0 50 CCAA O=C(CSc1ccccn1)N[C@H]1CCCNC1=O 223594342 YFRNEUBJPMLKKS-VIFPVBQESA-N 265.338 0.569 0 50 CCAA CC(C)NC(=O)CSc1nnc([C@@H]2CCCNC2)n1C 426701576 HYUYSEJDGHAPPN-SNVBAGLBSA-N 297.428 0.899 0 50 CCAA Cc1noc(C)c1CCC(=O)N[C@H]1C=CS(=O)(=O)C1 97823408 USNGNSIIFLMGGY-JTQLQIEISA-N 284.337 0.651 0 50 CCAA Cn1ccnc1[C@@H]1[C@@H](C(=O)O)CCC(=O)N1C1CC1 385125377 FSAQOVCTZRATGA-ONGXEEELSA-N 263.297 0.947 0 50 CCAA O=C(Cn1cnc2cnccc2c1=O)NCC(F)(F)F 181266314 PBBNPEMZUVQYJM-UHFFFAOYSA-N 286.213 0.470 0 50 CCAA O=C(NC[C@]1(O)CCNC1)Nc1cccc(F)c1 97910771 CGJFXXAKAXFTRO-LBPRGKRZSA-N 253.277 0.672 0 50 CCAA Cc1nnc(NCC[C@H]2CCCCN2S(C)(=O)=O)o1 95375256 XRCBMALWTMPNGM-SNVBAGLBSA-N 288.373 0.994 0 50 CCAA Cc1ncncc1C(=O)N1CCN(C)C(=O)[C@@H]1C(C)C 97547804 XGXMCZOJRBFMCZ-LBPRGKRZSA-N 276.340 0.724 0 50 CCAA COC(=O)c1cn(CC(OC)OC)cc2c(=O)[nH]nc1-2 253410804 NTCSNOFHJPRCHB-UHFFFAOYSA-N 281.268 0.082 0 50 CCAA Cc1cccc(O)c1C(=O)N1CC(=O)N(C)C(=O)C1 626958775 UDNZCLLYZKEALE-UHFFFAOYSA-N 262.265 0.141 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)NCc1ccc(C(=O)O)o1 534644131 PHRLLJKMYMTWII-UHFFFAOYSA-N 279.252 0.574 0 50 CCAA Cc1cnc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)[nH]1 1076087599 BGEFQBRCJHQNDK-NEPJUHHUSA-N 274.328 0.655 0 50 CCAA Cc1ccc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cn1 299766199 GQVCZOGTQDMDAJ-UONOGXRCSA-N 299.334 0.968 0 50 CCAA CCOC(=O)N1CC[C@@H](NC2CCS(=O)(=O)CC2)C1 823241480 ARAULALDMFOOHG-LLVKDONJSA-N 290.385 0.384 0 50 CCAA COCCCn1cnnc1CNC(=O)c1cncc(O)c1 584893242 XLXXPOPUUOPBNL-UHFFFAOYSA-N 291.311 0.345 0 50 CCAA O=C(N1CCC(N2CC[C@H](O)C2)CC1)[C@]1(F)CCOC1 1550905248 KQAXSXFJQKNHGJ-JSGCOSHPSA-N 286.347 0.173 0 50 CCAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cnncc2O)C1 952993882 SWHJERGYQMBHDV-SECBINFHSA-N 279.296 0.598 0 50 CCAA O=C1CC(CC(=O)NS(=O)(=O)Cc2cccnc2)C1 1875284330 RUYVULOLQJCZJP-UHFFFAOYSA-N 282.321 0.397 0 50 CCAA CS(=O)(=O)NC(=O)[C@H]1C[C@@H]1Cc1ccccc1 1875391078 HXXJTMALMKOQPD-QWRGUYRKSA-N 253.323 0.941 0 50 CCAA O=C1CCCN1CCCC(=O)N1CCN2C(=O)OC[C@H]2C1 952973119 YEEJKFPVKJISFS-LLVKDONJSA-N 295.339 0.052 0 50 CCAA CNC(=O)[C@@H]1CCN(C(=O)CCCN2CCCCC2)C1 952982612 PXBAMAITAVAEJY-CYBMUJFWSA-N 281.400 0.847 0 50 CCAA NCCCc1nc(-c2ccc(F)cc2)nn1CCO 952988110 BDNFVIOUROLJTR-UHFFFAOYSA-N 264.304 0.968 0 50 CCAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)CN(C)C)C1 886040546 HKVJZEWWQBCMHA-GXTWGEPZSA-N 293.367 0.638 0 50 CCAA COC(=O)C1=C(C)O[C@H](CSc2nnc(N)[nH]2)C1 271756786 XMJMMPXCLZGKNZ-LURJTMIESA-N 270.314 0.715 0 50 CCAA C=CC(=O)N1CC[C@@](C(=O)NC)(C(F)(F)F)C1 1776007333 XKZMJACKESRDFR-SECBINFHSA-N 250.220 0.699 0 50 CCAA Cc1cc(C(=O)N2CC[C@H](CO)[C@H](O)C2)n(C(C)(C)C)n1 1192721035 XWEIBJKUAKWWGQ-DGCLKSJQSA-N 295.383 0.762 0 50 CCAA CNS(=O)(=O)NCc1cccnc1OCC(F)(F)F 170616474 WOQYHWBVHWEUQK-UHFFFAOYSA-N 299.274 0.577 0 50 CCAA C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2CN)C1 111372757 XGLSZGZIPJJKHS-WDEREUQCSA-N 261.391 0.386 0 50 CCAA CN(C(=O)[C@H]1CCCCC(=O)N1)c1cnn(C)c1 194182589 FVKUTKRISVOIPE-SNVBAGLBSA-N 250.302 0.442 0 50 CCAA N[C@H]1C[C@H](C(=O)N2CCN(Cc3cscn3)CC2)C1 662692976 MSFKOANXZYXUSF-XYPYZODXSA-N 280.397 0.525 0 50 CCAA O=C(O)[C@@H](C(=O)NCc1ncc[nH]1)C1CCCC1 663108490 RFAZWMRRPICQNL-SNVBAGLBSA-N 251.286 0.917 0 50 CCAA CCn1c(-c2cn(C)nn2)nnc1N1CCC(OC)CC1 669128436 IKCHYWCMENTATO-UHFFFAOYSA-N 291.359 0.709 0 50 CCAA NC(=O)c1cc(NS(=O)(=O)N2CCCC2)cs1 585119210 XCXJKWNDFRPVKB-UHFFFAOYSA-N 275.355 0.600 0 50 CCAA Fc1cccc2[nH]c(=NCc3nn[nH]n3)sc12 585135181 IBITXWHZNHWNMA-UHFFFAOYSA-N 250.262 0.983 0 50 CCAA Cn1c(C(=O)N2CCC[C@H](N)C2)cnc1Br 1857692097 NZVGQHLWGUOYHB-ZETCQYMHSA-N 287.161 0.746 0 50 CCAA Cc1cnnc(N2CCC(S(N)(=O)=O)CC2)c1C 1857726821 DPWRYWPCZQRDRT-UHFFFAOYSA-N 270.358 0.351 0 50 CCAA O=C(CN1CCOC1=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704301403 XXWILCVFQNSZQW-BXUZGUMPSA-N 282.340 0.592 0 50 CCAA O=C(O)[C@H]1CCN(Cc2cccc(O)c2)C[C@H]1O 1704329431 UVWJCQOMGNLPMK-NWDGAFQWSA-N 251.282 0.660 0 50 CCAA COCc1noc(CCn2c(C)csc2=O)n1 109601064 VTLGDLUPIPLEDH-UHFFFAOYSA-N 255.299 0.990 0 50 CCAA O=C(NCCc1ccc(Cl)s1)[C@H]1C[C@@H](O)CN1 226318558 XCNAAYBMIUBPIY-VXNVDRBHSA-N 274.773 0.783 0 50 CCAA CCn1cc(CC(=O)N2C[C@@H](N)C3(CCC3)C2)cn1 1614617170 MAFQWSZPXHBZAC-GFCCVEGCSA-N 262.357 0.785 0 50 CCAA CCN(CC)C[C@H](C)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772804930 GZJHZCWCPUWIIC-RWMBFGLXSA-N 256.390 0.249 0 50 CCAA O=C(NCc1cccnc1N1CCOCC1)c1cnc[nH]1 11664210 QTTMERJWPGYIQH-UHFFFAOYSA-N 287.323 0.571 0 50 CCAA O=C(Cc1nc(-c2ccncc2)n[nH]1)N1CCOCC1 12421807 RKDLEMBERSVXFE-UHFFFAOYSA-N 273.296 0.268 0 50 CCAA CS(=O)(=O)N1CCN(Cc2ccccc2F)CC1 19572567 NNGQHXOMCWVKDF-UHFFFAOYSA-N 272.345 0.903 0 50 CCAA OC[C@H]1CCN(Cc2cc(-c3ccncc3)no2)C[C@@H]1O 1857724653 LWNAXPZCOKUAEK-DOMZBBRYSA-N 289.335 0.912 0 50 CCAA O=S(=O)(c1cncc(F)c1)N1CCN2CCC[C@H]2C1 257365452 WQGHNPIQKYMHTL-NSHDSACASA-N 285.344 0.689 0 50 CCAA C[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)N(C)C 584907698 IZKRPWGZVVBMJG-WCQYABFASA-N 281.400 0.701 0 50 CCAA Cc1nc(N2CCN(CCn3cccn3)CC2)n[nH]1 931623788 AONWPWNXMZVUOT-UHFFFAOYSA-N 261.333 0.132 0 50 CCAA C[C@H]1CN(S(=O)(=O)N2CCC(CN)CC2)[C@@H](C)CO1 226729989 DYCJMRRXUAMAMZ-QWRGUYRKSA-N 291.417 0.011 0 50 CCAA CO[C@@H]1CCCCC[C@H]1N=c1ccc2nnnn2[nH]1 1875272728 FEUCBEBYKVTUMC-NXEZZACHSA-N 262.317 0.701 0 50 CCAA O=C(N[C@@H]1COCC[C@H]1O)c1ccc2nccn2c1 219109465 FGEIXWOYXRXNKD-GHMZBOCLSA-N 261.281 0.214 0 50 CCAA COc1cc(OC)cc([C@@H]2NS(=O)(=O)NC2=N)c1 236043 VOAKUHWMZJWNRY-VIFPVBQESA-N 271.298 0.160 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)COCC(F)(F)F)C1 225945903 KSFFVWPPWNXPFI-LURJTMIESA-N 255.192 0.498 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)[C@H]1CCC[C@@H](N)C1 113214082 NXRFUKQHTPBOJA-VHSXEESVSA-N 253.346 0.241 0 50 CCAA CN(C)[C@@H]1CN(Cc2cocn2)C[C@@H]1n1ccnn1 862497522 HJVFKDHIPJDCKJ-NEPJUHHUSA-N 262.317 0.253 0 50 CCAA COC[C@@H](C)NC(=O)CN(C)[C@H]1CCCc2c1cnn2C 252517467 JCPQUGPMRVOFHR-YPMHNXCESA-N 294.399 0.880 0 50 CCAA COc1nccnc1N(C)CCN1CCOCC1 77963179 IUMCSQFEHUTYSM-UHFFFAOYSA-N 252.318 0.254 0 50 CCAA Cc1noc(C)c1CN1CCO[C@H](CN(C)CC(=N)O)C1 328634049 MLMUMXWSVZGPOD-GFCCVEGCSA-N 296.371 0.959 0 50 CCAA CC(C)(C)OC(=O)N(CCOCCO)CCOCCO 214878882 QKKAOQUTADWQAZ-UHFFFAOYSA-N 293.360 0.241 0 50 CCAA O=C(CN1CCOCC1)NCc1cnn2ccccc12 72127425 HWHSAZYOTXVGOA-UHFFFAOYSA-N 274.324 0.283 0 50 CCAA CC(C)n1cc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)nn1 495738871 WYNAGBZCLOAVQB-VIFPVBQESA-N 279.300 0.136 0 50 CCAA C[C@@H]1CN(C(=O)c2cc(CO)ccn2)CCCO1 216175880 RVAVMLAMDMMVLC-SNVBAGLBSA-N 250.298 0.825 0 50 CCAA Cc1cnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)nc1N 43103044 NAZCMQGWBDVJQQ-LLVKDONJSA-N 291.355 0.195 0 50 CCAA Cc1cnn(C[C@H](C)N[C@@H](C)C(=O)NC[C@H]2CCCO2)c1 242273450 YCUAQBRNWXVZJU-MELADBBJSA-N 294.399 0.853 0 50 CCAA CN(C)S(=O)(=O)NC[C@H]1COc2ccccc2C1 45798848 KECWTXKDMBKYBU-JTQLQIEISA-N 270.354 0.634 0 50 CCAA CCn1nc(CCOC)nc1CCS(C)(=O)=O 96180418 QAPZXHCOJPJAJL-UHFFFAOYSA-N 261.347 0.074 0 50 CCAA Nc1nc(N)c2c(C(=O)O)c(Br)oc2n1 238593776 XFKQGHFASIOEBV-UHFFFAOYSA-N 273.046 0.848 0 50 CCAA CC[C@@H](NC(=O)c1cc(=O)cc(C)n1C)[C@H]1C[C@H](O)C1 244858513 VMOHQRHYJZGROK-RAIGVLPGSA-N 278.352 0.973 0 50 CCAA CS(=O)(=O)NC[C@H]1CCCN(Cc2cccnc2N)C1 253428721 KVKDHAKFRKZPES-LLVKDONJSA-N 298.412 0.425 0 50 CCAA Cc1noc([C@H](C)NC(=O)N(C)CCN(C)C)n1 356114563 SGRCCEIYIZXLJG-QMMMGPOBSA-N 255.322 0.642 0 50 CCAA C[C@H](CN1CCOCC1)NC(=O)C(=O)c1cccn1C 351695140 RJVTUCBEQXZFKX-LLVKDONJSA-N 279.340 0.045 0 50 CCAA COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(OC)c1OC 271182602 XYWBDFLNUAYRDR-NEPJUHHUSA-N 295.335 0.812 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc(F)cc2)CN1 299785748 LLYVKVBBPZAXKN-RYUDHWBXSA-N 280.299 0.388 0 50 CCAA O=C(C=C1CCSCC1)N1CC[C@H](c2nn[nH]n2)C1 1350235609 UTAGEHXYQSEFIW-JTQLQIEISA-N 279.369 0.969 0 50 CCAA CC1CCN([C@@H](C)c2n[nH]c(CC(N)=O)n2)CC1 822182663 AYTOJTSQOOQPDA-VIFPVBQESA-N 251.334 0.625 0 50 CCAA CCc1noc(CCNC(=O)c2[nH]nnc2C)n1 584891786 GHKPSMNJRGGACB-UHFFFAOYSA-N 250.262 0.031 0 50 CCAA CS(=O)(=O)CCN1CCC[C@@H](c2nc[nH]n2)C1 824864246 RLQZRLCFPSOQRD-SECBINFHSA-N 258.347 0.029 0 50 CCAA CS(=O)(=O)CCC(=O)N(CC1CC1)C[C@@H]1CCCO1 827881132 JIQHXQFVACUHHZ-LBPRGKRZSA-N 289.397 0.839 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)c1c(Cl)cnn1C 666255293 NAEHGIFNXUNPBY-SECBINFHSA-N 284.747 0.814 0 50 CCAA O=C(O)[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)C[C@@H]1CCCCO1 585134511 XFBZUHQHHWUBBP-VWYCJHECSA-N 299.323 0.722 0 50 CCAA CC1(C)SC[C@H](C(=O)N2CCc3nocc3C2)NC1=O 670473586 HGLVTGYFNPRMDG-SNVBAGLBSA-N 295.364 0.570 0 50 CCAA Cc1ccc(Cn2cnc3c(cnc(=O)n3C)c2=O)cc1 670460720 KZPWPWXUDFZZHZ-UHFFFAOYSA-N 282.303 0.847 0 50 CCAA O=C1C[C@H]2COCCN2C(=O)[C@@H](CCc2ccccc2)N1 1875290335 UKNZLRDLFKSBEM-UONOGXRCSA-N 288.347 0.735 0 50 CCAA CC(=O)N1CCC[C@H](c2n[nH]cc2NS(C)(=O)=O)C1 1875258243 NDEPNNDMQHGGKH-VIFPVBQESA-N 286.357 0.507 0 50 CCAA O=C1NC(=O)[C@H](CCCNC(=O)OCc2ccccc2)N1 950756048 FPKSZXZIWPNJMG-NSHDSACASA-N 291.307 0.901 0 50 CCAA CO[C@H]1CCCCN(CC(=O)NCc2cccn2C)C1=O 886088867 NIOBFFHEEWQRAE-ZDUSSCGKSA-N 293.367 0.669 0 50 CCAA O=C(O)c1cccc(N2CCCNS2(=O)=O)c1 1772717426 BHCHVMDIPYENNV-UHFFFAOYSA-N 256.283 0.429 0 50 CCAA C=CC(=O)N(CC)c1ccc(S(N)(=O)=O)cc1 1776003362 LCNDYNSIIGZCBJ-UHFFFAOYSA-N 254.311 0.873 0 50 CCAA NCC[C@@H]1CN(C(=O)C[C@H](O)CN)c2ccccc21 1357989961 CXVJKLJUWHOORM-MNOVXSKESA-N 263.341 0.175 0 50 CCAA Cn1cc(CC(=O)NCCc2nc(C(=O)O)cs2)cn1 630191429 SRVWALSXXDJEFC-UHFFFAOYSA-N 294.336 0.476 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CC1)COCC(=O)N2 91303600 QKXMLYAKUCFKGQ-UHFFFAOYSA-N 270.329 0.903 0 50 CCAA in-vitro COC(=O)[C@H]1CCn2c(nnc2Cn2nc(C)cc2C)C1 601044230 KKINJVUEINLANM-NSHDSACASA-N 289.339 0.875 0 50 CCAA C[C@@H](C(=O)N1CCCc2c(C(N)=O)cccc21)n1cncn1 171922363 WMWYDIZGHKLQMT-JTQLQIEISA-N 299.334 0.917 0 50 CCAA CO[C@H](C(=O)N1C[C@@H](C)O[C@@H](C(=O)O)C1)C1CC1 668293680 HEXPTRMZJKLTEJ-QNSHHTMESA-N 257.286 0.112 0 50 CCAA COc1ccnc(CN2CC[C@@](O)(Cn3ccnn3)C2)c1 671553116 IVHWQUWYAQMSRO-AWEZNQCLSA-N 289.339 0.319 0 50 CCAA O=S(=O)(NCCc1cn[nH]c1)c1cccc2c1OCC2 585114715 UNPSSVOSASPKEO-UHFFFAOYSA-N 293.348 0.866 0 50 CCAA CC(C)CN1CC[C@H](CN(C)C(=O)NCC(=O)O)C1 1506405537 ACFAYUYUZFBNMS-LLVKDONJSA-N 271.361 0.690 0 50 CCAA CCOc1ccc(C(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)cc1 1704359645 XKIXOEUZUYPZRC-QWHCGFSZSA-N 293.319 0.993 0 50 CCAA CC(=O)N1CCN(CCNC(=O)[C@@H]2[C@@H](C)C2(F)F)CC1 408231685 OJQJEEYQWWKVFX-KOLCDFICSA-N 289.326 0.168 0 50 CCAA CC(C)(CN)NS(=O)(=O)c1cnn(-c2ccccc2)c1 123742447 YTTHIFGEHMAODA-UHFFFAOYSA-N 294.380 0.888 0 50 CCAA CO[C@H]1CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 246053685 WOVGTUPAPNSHFV-QWRGUYRKSA-N 263.359 0.464 0 50 CCAA COc1cc(CN2CCNC[C@@H]2CCO)cc(OC)c1 19860702 ZLLRZWIJPOZXHJ-ZDUSSCGKSA-N 280.368 0.860 0 50 CCAA O=C1C[C@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@H]2N1 1857687083 KJASHBSEJAHFCF-GXFFZTMASA-N 298.346 0.842 0 50 CCAA CCN(C[C@@H]1CCCO1)C(=O)N1CCS(=O)(=O)CC1 408397228 SKCJHZBFANYBEY-NSHDSACASA-N 290.385 0.338 0 50 CCAA O=C(NCC[C@H]1CC1(F)F)c1cnnn1C1CCNCC1 621670477 OQVSCBYMFSMQNH-VIFPVBQESA-N 299.325 0.978 0 50 CCAA Cc1ccc(CC(=O)N=c2ccn([C@@H]3CCNC3)[nH]2)cn1 548673095 VWORWYBVSXIEFV-CYBMUJFWSA-N 285.351 0.724 0 50 CCAA OC[C@H]1CN(Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1O 459697759 YTUSVOAXNZTZGS-PWSUYJOCSA-N 299.754 0.896 0 50 CCAA C[C@H](CNS(=O)(=O)c1nc[nH]n1)c1ccccc1 1875290423 DTZCLSZZONSAIU-SECBINFHSA-N 266.326 0.887 0 50 CCAA CC(=O)NCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 250752486 FGXRHWAKSXZWJX-AXFHLTTASA-N 268.313 0.367 0 50 CCAA CC[C@@H]1CN(C)CCCN1C(=O)CCc1cnn(C)n1 846973893 QZLBWVKUDVLREN-CYBMUJFWSA-N 279.388 0.690 0 50 CCAA OC[C@H]1CN(Cc2c[nH]nc2C(F)(F)F)CC[C@@H]1O 1141011757 NUYRXKKSSWJXRR-BDAKNGLRSA-N 279.262 0.604 0 50 CCAA Cc1nn(C)c(C)c1CN1C[C@H]2COC[C@@H](C1)C(=O)N2C 1704325078 HNARQIGQSRSPCU-OLZOCXBDSA-N 292.383 0.326 0 50 CCAA c1nsc(N2CCN(CCO[C@@H]3CCOC3)CC2)n1 930632728 CFRSXBREMHZHHG-LLVKDONJSA-N 284.385 0.466 0 50 CCAA Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)nc1 227331931 JTYAUTHRYLJKOK-LSKIRQOJSA-N 274.276 0.983 0 50 CCAA CN1CCC2(CC1)CCN(C(=O)N1CCOCC1)C2 67784928 GPEIORIVSWXVDV-UHFFFAOYSA-N 267.373 0.856 0 50 CCAA O=C(O)[C@H](C1CC1)N1CCN([C@@H]2CCOC2)CC1 635018489 NKYYYRWQXYLRAZ-NEPJUHHUSA-N 254.330 0.256 0 50 CCAA CCn1cc(NC(=O)N2CC[C@H](OC)C2)c(C(=O)O)n1 2325797760 RUORMPANVTWRLT-QMMMGPOBSA-N 282.300 0.854 0 50 CCAA C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccccc1C(=O)O 864500564 BRVIPJDSBPOOOO-JOYOIKCWSA-N 299.348 0.982 0 50 CCAA COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 131979986 VOHNDIOFIOFVDG-MXWKQRLJSA-N 294.282 0.277 0 50 CCAA CC(C)C1=NO[C@@H](C(=O)NCCc2nnc(N)s2)C1 67514453 WTLDMWWIKYDQJK-MRVPVSSYSA-N 283.357 0.580 0 50 CCAA Cc1ccoc1C(=O)N1CCC2(CC1)NCCNC2=O 67907893 RSUFSLRWYHIAOL-UHFFFAOYSA-N 277.324 0.282 0 50 CCAA CN(C)C[C@H]1[C@@H]2CN(c3nccnc3C(=O)O)C[C@H]12 1506422084 OKAXGHZYVWQLJW-OWUUHHOZSA-N 262.313 0.419 0 50 CCAA CCNC(=O)[C@@H]1CCCN(CCC2OCCO2)C1 124014492 WVWVSTCSTLYGIR-LLVKDONJSA-N 256.346 0.598 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 128238951 LCXZRXTVYKQTEC-FIQHERPVSA-N 265.309 0.901 0 50 CCAA O=C1CCCN1C[C@@H](O)CN1CCC2(CCOCC2)CC1 367464444 SQOWQNFMZGWUOK-AWEZNQCLSA-N 296.411 0.862 0 50 CCAA C[S@](=O)C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccccc1 262397876 LRPIEWJRSWYYFB-NAHOBKRNSA-N 295.360 0.943 0 50 CCAA COC[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)O 158605831 VHBWEWSLGDUAIK-LBPRGKRZSA-N 299.348 0.553 0 50 CCAA Cc1nc(CN2CCc3nc[nH]c3[C@H]2C(=O)O)co1 72421854 CUWNLSMWUVKGAP-NSHDSACASA-N 262.269 0.890 0 50 CCAA NC(=O)c1ccc(N2CCN(C(=O)NC3CC3)CC2)nc1 337438053 KMXYLLJQMCQASS-UHFFFAOYSA-N 289.339 0.175 0 50 CCAA COCCS(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 132753256 KNWJOQLAIFPDMI-LBPRGKRZSA-N 286.353 0.511 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cc1ccc2[nH]ncc2c1 286699679 FQYTXHNUUFABGR-PWSUYJOCSA-N 290.298 0.530 0 50 CCAA CN(Cc1cccs1)C(=O)CN1C(=O)CN(C)C1=O 41104533 CVXFAPILJCUHKY-UHFFFAOYSA-N 281.337 0.601 0 50 CCAA C[C@@H](CS(C)(=O)=O)NCCCn1cc(Cl)cn1 383331093 VMGNVSIGKFPZAP-VIFPVBQESA-N 279.793 0.949 0 50 CCAA CN1C(=O)[C@H]2C=C[C@H]1[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]21 195802145 GPCCRHMTSQOYRL-FQUUOJAGSA-N 296.326 0.814 0 50 CCAA O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CCN(C2CC2)C(=O)C1 337139152 GIEYWTOSOFNBHE-IJLUTSLNSA-N 264.325 0.387 0 50 CCAA Cc1cc(CC(=O)N[C@H](C(N)=O)C(C)(C)C)n[nH]1 267979188 KKBRLOMHVJAYOO-SNVBAGLBSA-N 252.318 0.277 0 50 CCAA CCc1nc(N)nc(NCCS(=O)(=O)CC)c1C 95373766 YTVLQZBIBSFGOK-UHFFFAOYSA-N 272.374 0.776 0 50 CCAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CNC(N)=O)C2 95520661 WPODDBXGELSMEI-SECBINFHSA-N 293.323 0.031 0 50 CCAA CNC(=O)CC(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 184883634 SJOWVJKYXJESQQ-CYBMUJFWSA-N 292.335 0.731 0 50 CCAA O=C(NC1CC1)[C@H](O)C1CCN(Cc2ccon2)CC1 299749521 KPANZMQYMOIQGH-CYBMUJFWSA-N 279.340 0.526 0 50 CCAA O=C(CCCn1cncn1)N[C@H]1COC[C@@H]1N1CCCC1 534662729 JKEYTYKKXCYNSP-STQMWFEESA-N 293.371 0.038 0 50 CCAA Cc1nccn1CC[C@@H](C)NCCc1ncnn1C 821182068 RMJIREHGESKGCB-LLVKDONJSA-N 262.361 0.931 0 50 CCAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](O)C2 823033059 GTIYFXUWRJSMMM-SECBINFHSA-N 251.330 0.845 0 50 CCAA C[C@H](Cn1cncn1)n1cnc2ccncc2c1=O 584902894 BBZCTMMQWJFQJR-SECBINFHSA-N 256.269 0.644 0 50 CCAA COC(=O)N[C@H](C)C(=O)N1CCC(N2CCOCC2)CC1 584885074 OAEKYATYHJIUQK-LLVKDONJSA-N 299.371 0.054 0 50 CCAA CN(C)CCN1CCN(C(=O)C2CCOCC2)CCC1=O 584890389 JWFRSXJODJYROI-UHFFFAOYSA-N 297.399 0.036 0 50 CCAA COCCc1nc(-c2cc3ncccn3n2)n(CCO)n1 670467098 AWCLEOTUNXOLMH-UHFFFAOYSA-N 288.311 0.169 0 50 CCAA O=C1CC[C@@H](C(=O)NCC2CCN(CC3CCC3)CC2)N1 1002061319 BLHQCMYDYDXXDY-AWEZNQCLSA-N 293.411 0.893 0 50 CCAA O=c1c2cc(Cl)ccc2ncn1[C@H]1COC[C@@H]1O 584900879 KDQZAUUAIGUHOO-QWRGUYRKSA-N 266.684 0.982 0 50 CCAA CN(CCNS(C)(=O)=O)C(=O)c1ccccc1Cl 1875258172 QKEUHAVBTGBQEQ-UHFFFAOYSA-N 290.772 0.961 0 50 CCAA C[C@H](ONC(=O)[C@]12CCCCC(=O)N1CCC2)C(=O)O 1875334356 KYLRBRDZVXENFT-TVQRCGJNSA-N 284.312 0.443 0 50 CCAA NC(=O)[C@H](NC(=O)c1cc2c([nH]1)CCC2)c1ccccn1 1875330540 SIFLVHPTMYRQCE-CYBMUJFWSA-N 284.319 0.855 0 50 CCAA C[C@H](OCC1CC1)C(=O)N=c1nc[nH]n1-c1ncccn1 1875302756 FXWHMXCSARRFFY-VIFPVBQESA-N 288.311 0.233 0 50 CCAA CCCCO[C@H](C)C(=O)N=c1nc[nH]n1-c1ncccn1 1875302908 MOLZQKPNYQTRSQ-SNVBAGLBSA-N 290.327 0.623 0 50 CCAA C=CC(=O)N(C)CC(=O)N(C)C[C@@]1(C)CCCO1 1875380300 LFCVYEROLSDAIP-CYBMUJFWSA-N 254.330 0.658 0 50 CCAA C=CS(=O)(=O)CCN1CCOC[C@H]1c1ccnn1C 1775994467 PRXVWPINJGTUMT-LBPRGKRZSA-N 285.369 0.352 0 50 CCAA C/C(=C(/F)C(=O)NCCS(N)(=O)=O)C1CC1 1337012521 UJOHANPCQDKSNN-VURMDHGXSA-N 250.295 0.045 0 50 CCAA CNC(=O)NC1CCN(C(=O)c2cc[nH]c2C)CC1 1188160305 WCUWENYCACUNCH-UHFFFAOYSA-N 264.329 0.857 0 50 CCAA COCCCn1cnnc1CNC(=O)[C@@H]1CCC[C@H](O)C1 1565514302 ANHSATPYAJIQDT-NEPJUHHUSA-N 296.371 0.482 0 50 CCAA O=C(CO[C@H]1CCOC1)OCc1ccc2[nH]nnc2c1 170652321 JHZJZBGAPHKLIK-JTQLQIEISA-N 277.280 0.807 0 50 CCAA Cc1ccc2nnc(CNc3ncnc4c3cnn4C)n2n1 170606555 YAHRPMJTAJQOFZ-UHFFFAOYSA-N 295.310 0.722 0 50 CCAA Cc1nnc(N(C)Cc2nnnn2C(C)(C)C)n1C 585133937 ODXRLGZFYVFKBI-UHFFFAOYSA-N 264.337 0.501 0 50 CCAA CN[C@@H](CC(C)(C)C)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 638624754 XKMHMMUZWRNBAU-MXWKQRLJSA-N 290.429 0.702 0 50 CCAA O=C1[C@H]2CNC[C@@H]2C(=O)N1CCN1CCc2ccccc2C1 211386139 VPJUCHZVXLPJTB-GJZGRUSLSA-N 299.374 0.249 0 50 CCAA Cn1cncc1CCC(=O)N1CCC[C@@](C)(O)C1 407997714 NYVOIBOOUNUSMP-CYBMUJFWSA-N 251.330 0.726 0 50 CCAA NC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 225403553 FKWFYHNYHMTZEV-NAKRPEOUSA-N 251.330 0.834 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cnn(C)c1C 643765699 YXDJWMIBMWBSFR-CQSZACIVSA-N 280.372 0.456 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cnccc2C)C1 644038365 JBZKTFFCIZFPDP-HNNXBMFYSA-N 291.351 0.493 0 50 CCAA CC(CO)(CO)NC(=O)c1csc(C(F)(F)F)n1 193788124 XGTYHVLPCIPKKI-UHFFFAOYSA-N 284.259 0.635 0 50 CCAA Cc1nc(N2C[C@H](C(N)=O)CC[C@@H]2C)c2cnn(C)c2n1 193713837 PTWLCUDVLWEGTP-WCBMZHEXSA-N 288.355 0.762 0 50 CCAA CCOC(=O)CN[C@H]1CC(=O)N(c2ccccc2)C1 194297756 HDZPIGNFRVZXRT-NSHDSACASA-N 262.309 0.945 0 50 CCAA Cc1c(C(=O)N[C@](C)(C(=O)O)c2ccccc2)nnn1C 663140221 BQLCEAFCEROORD-AWEZNQCLSA-N 288.307 0.853 0 50 CCAA Cn1ccnc1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529152315 SJMQQXLCQRBWMP-DGCLKSJQSA-N 273.340 0.246 0 50 CCAA NCCC(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704300259 XJAFKNDSVZOINM-CZUORRHYSA-N 299.374 0.945 0 50 CCAA O=C(CCn1cc(Cl)cn1)N1C[C@@H](O)[C@H](F)C1 1857688493 MUZKHVVBNXDEDU-RKDXNWHRSA-N 261.684 0.468 0 50 CCAA NC1CC(CC(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)C1 1615555345 RTJYLFWLUIISMH-ALWXLRNYSA-N 291.317 0.772 0 50 CCAA Cc1nn(C)c2c1[C@H](NC(=O)CN1CCOC1=O)CCC2 1857681494 LGUJPFFFTMEEHU-SNVBAGLBSA-N 292.339 0.674 0 50 CCAA CSCc1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)o1 1857705536 LKQUWYWASHAURM-CNVPUSNMSA-N 299.348 0.400 0 50 CCAA O=C(O)c1cccc(NC[C@@H](CO)[C@@H]2CCOC2)n1 263383138 DAXWRRBDOLOGCP-ZJUUUORDSA-N 266.297 0.837 0 50 CCAA COCCN1CCN(C(=O)c2c(O)cccc2F)CC1 163745063 JZAUSEFKJPAEIZ-UHFFFAOYSA-N 282.315 0.936 0 50 CCAA COCCC(=O)N1CCN(CC(F)(F)F)CC1 171360791 MTEPPGLXTHMAGS-UHFFFAOYSA-N 254.252 0.729 0 50 CCAA CCc1nnc(CNC(=O)N2CCOCC2)s1 289438685 DWIIIXYBURSVCI-UHFFFAOYSA-N 256.331 0.642 0 50 CCAA O=C1CCCN1CC(=O)N1CC[C@]2(CCCNC2)C1 67739893 IWHIZGPYPMOKCU-AWEZNQCLSA-N 265.357 0.211 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)O)C2)nc1 2325806942 PMWYURYNVCARJV-OPQQBVKSSA-N 296.348 0.922 0 50 CCAA CCN(Cc1cncn1C)c1nccc(C(=O)O)n1 2325819196 AYPQRSKMXNFNQZ-UHFFFAOYSA-N 261.285 0.935 0 50 CCAA O=C1NCc2c(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4N3)cccc21 2325890761 NIKVZFHCRYFXKP-QILRFPOHSA-N 257.293 0.619 0 50 CCAA Cc1cncc(CNC[C@H](O)C2(O)CCOCC2)c1 905189217 LZFLMGSFQXYELR-ZDUSSCGKSA-N 266.341 0.382 0 50 CCAA CC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 53643 DJBICTMODATRRD-UHFFFAOYSA-N 268.338 0.846 0 50 CCAA NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 240369 PAXZTCSGTOVVDC-UHFFFAOYSA-N 293.348 0.333 0 50 CCAA CCC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 357405 RIUVZKMAZOPTIA-UHFFFAOYSA-N 270.310 0.860 0 50 CCAA COc1cccc(NC(=O)CSc2nnnn2C)c1 614351 IWDOIIGHYRSTIU-UHFFFAOYSA-N 279.325 0.950 0 50 CCAA Cc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cs1 1053814 PRWMJFYQPGFIJM-UHFFFAOYSA-N 288.394 0.774 0 50 CCAA Cc1nc2ccnn2c(NCCN(C)S(C)(=O)=O)c1C 2356153641 OXBPQMUZTBPZQT-UHFFFAOYSA-N 297.384 0.649 0 50 CCAA COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CC2)cc1 4854107 AZJKRPXCEGFEML-SECBINFHSA-N 298.364 0.641 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)COC(C)C)N(C)C1 344491613 FKPQARAGLMVRPU-RYUDHWBXSA-N 258.362 0.589 0 50 CCAA C[C@H](C(=O)N(C)C[C@@H]1C[C@H](F)CN1CC(N)=O)C1CC1 345958830 QDYFDNZKORPBOD-DLOVCJGASA-N 285.363 0.389 0 50 CCAA CCC1=NO[C@@H](CNC(=O)c2cnn3ccn(C)c23)C1 65387788 NFXRBKNACMIOIY-SNVBAGLBSA-N 275.312 0.958 0 50 CCAA O=c1[nH]nc(CNC[C@@]2(O)CCCNC2)c2ccccc12 77424447 MBYOBKQJPAATAR-OAHLLOKOSA-N 288.351 0.127 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCNC[C@H]2C)C1 252135885 LMCIOTHOTMDASU-UTUOFQBUSA-N 275.418 0.551 0 50 CCAA C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C(=O)N2)C(=O)O 262540561 RIEFJSAQGWSNPH-HTQZYQBOSA-N 292.291 0.857 0 50 CCAA Cn1nc2n(c1=O)CCN(C[C@H]1CCC(C)(C)O1)C2 376333304 NDLQCTNGWLZLLF-SNVBAGLBSA-N 266.345 0.355 0 50 CCAA C[C@H]1CN(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)C[C@@H](C)O1 131810775 HMODCEXRBXPPOU-WYUUTHIRSA-N 291.417 0.152 0 50 CCAA CCc1cc(N(C)CCC(=O)NC)n2nccc2n1 72438983 JCIXYODOLVYUAH-UHFFFAOYSA-N 261.329 0.864 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 336519629 UCBQUUPPPGCFLU-ZYHUDNBSSA-N 276.340 0.306 0 50 CCAA O=C1NC[C@@]2(CCCN(C(=O)CCCc3cn[nH]c3)C2)O1 72169015 OOIAVLRUULPKBS-CQSZACIVSA-N 292.339 0.833 0 50 CCAA COCCN(Cc1cnn(C)c1)C(=O)[C@@H](C)n1ccnc1 426501731 HGWQNMAWKSAVKN-GFCCVEGCSA-N 291.355 0.853 0 50 CCAA CNC[C@@H]1CCN(C(=O)CN2CCCCCCC2=O)C1 179023980 CKMMPOSQJFEMHQ-ZDUSSCGKSA-N 281.400 0.847 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCCC[C@@]1(C)C(=O)O 426387034 FJJDSPSXLLYPPP-NSHDSACASA-N 252.274 0.583 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)NCc1ncccc1C 426634304 PIGVQEPVEHWGHN-GFCCVEGCSA-N 276.340 0.810 0 50 CCAA N=C(O)NCC(=O)N1CCN(Cc2cccc(O)c2)CC1 330690510 WQAWQZYWKFGAGF-UHFFFAOYSA-N 292.339 0.119 0 50 CCAA CCC[C@H](CC(=O)O)NC(=O)c1cccc2nnnn12 426386839 CENZKKFNHNMRDP-MRVPVSSYSA-N 277.284 0.498 0 50 CCAA CC(=O)N1CCCN(c2ncc(F)c(N(C)C)n2)CC1 95385095 GYQNTVVZDSQUIR-UHFFFAOYSA-N 281.335 0.740 0 50 CCAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCOC[C@H]1CO 244734906 NNUGPKVKXXMCBV-LLVKDONJSA-N 296.367 0.869 0 50 CCAA C[C@H](CNS(=O)(=O)c1cccnc1)N1CCOCC1 299037798 RHQVDWSETZQNIQ-LLVKDONJSA-N 285.369 0.081 0 50 CCAA CN1CC[C@@](C)(C(=O)N2CCN(C(=O)C3CCC3)CC2)C1 584887526 QZMPPFQSLZZFLZ-MRXNPFEDSA-N 293.411 0.799 0 50 CCAA CN(C[C@H]1CCCN1C)C(=O)CCCN1CCOCC1 823771483 SHGRXUPLZXEIDO-CQSZACIVSA-N 283.416 0.651 0 50 CCAA COCC1(C(=O)NCCN2CCCCC2=O)CC1 670449205 DLAMQZMUIJGWMY-UHFFFAOYSA-N 254.330 0.542 0 50 CCAA CN1C(=O)N(C)C2(CCN([C@@H]3CCOC3)CC2)C1=O 670440215 GSXZDFHQOPYAKY-SNVBAGLBSA-N 267.329 0.134 0 50 CCAA Cc1conc1C(=O)N(C)C[C@H]1OCC[C@H]1c1nc[nH]n1 1551461686 RQVOBZBVSHRMTO-NXEZZACHSA-N 291.311 0.746 0 50 CCAA Cc1nccnc1CCNC(=O)N1C[C@H](N)C2(CCC2)C1 1553490453 XKCMJHXIUWEQBM-ZDUSSCGKSA-N 289.383 0.850 0 50 CCAA COc1ccc(CN2CC[C@@H](N)C2=O)c(OC)c1 70070009 YVVWEULDWBKIBD-LLVKDONJSA-N 250.298 0.763 0 50 CCAA in-vitro CN(C)C/C=C/C(=O)NC[C@@H]1CC(C2CC2)=NO1 1875376989 PAHDORCYJBPBDY-UFFNRZRYSA-N 251.330 0.775 0 50 CCAA CCCCC(=O)N[C@H]1CC(=O)N(c2cnn(C)c2)C1 1875286387 SCFBWEYFKKHYGL-JTQLQIEISA-N 264.329 0.832 0 50 CCAA Oc1nc(O)c2c(n1)CN(CC[C@H]1COCCO1)C2 1875299479 MKVIAJFCLSXJIX-QMMMGPOBSA-N 267.285 0.009 0 50 CCAA CCCN1CCC[C@@H](CNC(=O)NCCC(=O)O)C1 952990707 WHLBGPHGNNEFHA-NSHDSACASA-N 271.361 0.882 0 50 CCAA Cc1nccn1CCCN1CCN([C@H]2CCNC2)CC1 244900307 ZZWQLJDACBPLFY-HNNXBMFYSA-N 277.416 0.561 0 50 CCAA O=C1CC[C@@H](NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C(=O)N1 247180418 RXXWCHQYIPLSAI-XWLWVQCSSA-N 264.325 0.734 0 50 CCAA CCC(=O)N1CC2(CC[C@@H](CNC(=O)C3CC3)O2)C1 965514251 FIJCFLBKTCGAHJ-NSHDSACASA-N 266.341 0.683 0 50 CCAA Cc1ccn2ncc(C(=O)N[C@@H]3CC[S@@](=O)C3)c2n1 408306047 OSYBLPGOCCYPMT-AYLIAGHASA-N 278.337 0.289 0 50 CCAA Nc1ncnc(NC[C@H](CO)[C@H]2CCOC2)c1Cl 281132764 YYSQPPWHENDMOH-JGVFFNPUSA-N 272.736 0.769 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)c2ccoc2)C1 643995059 WTVAFABVPFQVPY-LBPRGKRZSA-N 252.270 0.122 0 50 CCAA CCn1cnc2c(N[C@@H]3C[C@H](C(=O)O)C[C@H]3O)ncnc21 662897702 VNUGEKURDNTLCC-DJLDLDEBSA-N 291.311 0.482 0 50 CCAA CC[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2C[C@@H](N)[C@H](C)C2)C1 662983808 OAVFSAJATVMIGM-FDYHWXHSSA-N 281.400 0.829 0 50 CCAA CCCCCOCC(=O)NCCCn1cnnc1O 585126958 MGMAOUUXQNSJIQ-UHFFFAOYSA-N 270.333 0.697 0 50 CCAA CNC(=O)C[C@H]1CCN(CCn2nccc2C)C1 1506398184 IEIMREYASBOCAQ-GFCCVEGCSA-N 250.346 0.650 0 50 CCAA O=C(c1cc[nH]c1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857697629 FNBUQHMPSYKSBO-ADEWGFFLSA-N 250.298 0.627 0 50 CCAA CCC(=O)NS(=O)(=O)c1cnc(Cl)n1C 822535000 NLTQLQIZEBHFNP-UHFFFAOYSA-N 251.695 0.288 0 50 CCAA N[C@@H]1CC12CC(NS(=O)(=O)N1CCCCC1)C2 1615588048 BLTFJOSMUSFVNX-HSOILSAZSA-N 259.375 0.187 0 50 CCAA CCCN1C[C@H](C(=O)N2C[C@H](F)C[C@@H]2CO)CC1=O 332662439 GGUZBOJVTGYCJX-GMTAPVOTSA-N 272.320 0.176 0 50 CCAA CNC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 16661355 JIQMHJROUULUIS-UHFFFAOYSA-N 270.354 0.616 0 50 CCAA O=C(Cn1cnnn1)N1CCN(Cc2cccs2)CC1 19222982 BUJVVXGXEUVXKR-UHFFFAOYSA-N 292.368 0.079 0 50 CCAA CN(C)C(=O)[C@@H]1CN(c2cnc3ccccc3n2)CCO1 1857680303 GIQDNEJNQYJIEA-ZDUSSCGKSA-N 286.335 0.923 0 50 CCAA Cc1nc[nH]c1CC(=O)N1C[C@H]2CCC[C@@H](C1)NC2 1857702840 QIWPSDIIQHISCJ-RYUDHWBXSA-N 262.357 0.861 0 50 CCAA C[C@H]1CN2C[C@@H](NC(=O)Cc3cccc(O)c3)C[C@H]2CO1 1857738936 FOXPUGQWGJFJII-UBHSHLNASA-N 290.363 0.913 0 50 CCAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)ccc1F 1875241030 MCLXLTUPRDYPCQ-NEPJUHHUSA-N 292.310 0.721 0 50 CCAA O=C([C@@H]1C[C@@H](O)CN1)N1CCO[C@H](c2ccc(F)cc2)C1 226934731 IFOLYWLOEJABIY-RDBSUJKOSA-N 294.326 0.448 0 50 CCAA OCc1ccnc(N2CCN(c3ncccc3F)CC2)n1 341638954 MNSHNZQMCZTNAR-UHFFFAOYSA-N 289.314 0.830 0 50 CCAA COc1cccc(CN2CC[C@H]3OCC(=O)N[C@@H]3C2)c1F 253397300 UYFAVQOEYPYGJN-VXGBXAGGSA-N 294.326 0.924 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1csc(CO)c1 232321177 JKHRNSPEQKXABG-UHFFFAOYSA-N 258.148 0.494 0 50 CCAA Cc1cnc(C(=O)N2CCOC[C@H]2CC(N)=O)c(C)c1 822125051 KFSBMIZNQDMICH-LLVKDONJSA-N 277.324 0.415 0 50 CCAA CC(C)c1nnc(CN2CCC([C@H](O)CO)CC2)o1 1772702387 RRNCWJMMJMLSAW-LLVKDONJSA-N 269.345 0.758 0 50 CCAA O=C1C[C@H](N(C(=O)c2nccc3occc23)C2CC2)C(=O)N1 824862756 LFFWAHSBIWZETF-JTQLQIEISA-N 299.286 0.848 0 50 CCAA COC(=O)[C@@H](O)C1CCN(Cc2cc(C)[nH]n2)CC1 1116448756 BMZQPFBUBLRGPJ-LBPRGKRZSA-N 267.329 0.464 0 50 CCAA Cc1cn2c(=O)cc(CN3C[C@@H](F)C[C@H]3CO)nc2s1 930419057 GFKJXGMKMYNWOB-ONGXEEELSA-N 297.355 0.969 0 50 CCAA C[C@](O)(CNc1nc(N)nc(N)n1)c1ccc(F)cc1F 858411205 LHTOEADFNQKKPM-LBPRGKRZSA-N 296.281 0.634 0 50 CCAA C[C@@](O)(CNC(=O)[C@H]1CCc2ccccc2C1)C(=O)O 223389877 PNNVVXHLKJMNNF-SWLSCSKDSA-N 277.320 0.743 0 50 CCAA Cc1noc(CN(C)CC2(CO)CCOCC2)n1 299790505 AZYBNFNXUPBNKP-UHFFFAOYSA-N 255.318 0.599 0 50 CCAA Cc1ccc(S(=O)(=O)NC[C@]2(O)CCOC2)o1 408098402 QOCXGIADAROTCU-SNVBAGLBSA-N 261.299 0.018 0 50 CCAA O=C(O)[C@H]1CCCCN1C(=O)[C@H]1CCc2nccn2C1 655540317 YWUFAEIFBRPGFA-WDEREUQCSA-N 277.324 0.911 0 50 CCAA Cc1cc(O)nc(CCNC(=O)[C@@H]2CC[C@H](N)C2)n1 1073339493 DEXFPDXUQDHZKR-ZJUUUORDSA-N 264.329 0.277 0 50 CCAA Cc1nnc2n1C[C@@H](NC1[C@H]3CC[C@H]1CN(C)C3)CC2 925781792 FZZKVVZWJDLESA-AVGNSLFASA-N 275.400 0.831 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C2(COC2)C1 238853735 KOEYCRLDXMOAJA-QMMMGPOBSA-N 257.286 0.955 0 50 CCAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCOCC1)OC2=O 204629 GLDCHMIAEARYRD-KGLIPLIRSA-N 267.325 0.967 0 50 CCAA biogenic COc1ccc(Cl)cc1N(CC(N)=O)S(C)(=O)=O 2958946 DBZXKUWVQVDCMU-UHFFFAOYSA-N 292.744 0.600 0 50 CCAA O=S1(=O)CC[C@@H](S(=O)(=O)Oc2ccccc2)C1 4829689 VFMYLFYEULSFGV-SNVBAGLBSA-N 276.335 0.582 0 50 CCAA CN(C)C(=O)CSc1n[nH]c(=O)n1-c1ccccc1 4868647 LNGAWRBNPYDMCU-UHFFFAOYSA-N 278.337 0.741 0 50 CCAA CSCC[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100874852 HIWBZTSNLZFSAZ-AJBSGBCOSA-N 295.360 1.000 0 50 CCAA CCSC[C@@H](C)NCCn1nc(O)ccc1=O 67743018 VIHZFEPAXLXWDH-SECBINFHSA-N 257.359 0.680 0 50 CCAA Cc1ncc(S(=O)(=O)N2CC[C@H](C)[C@@H]2C(=O)O)s1 230109966 OEOWUCBFLMRLLY-IMTBSYHQSA-N 290.366 0.935 0 50 CCAA CS(=O)(=O)c1ccc(NC(=O)c2nccnc2N)cn1 358837057 GYMHHAYYMFWUAX-UHFFFAOYSA-N 293.308 0.110 0 50 CCAA O=C(NC[C@@H]1CNCCCO1)N1CCN(CC2CC2)CC1 333833531 MYLUWFFEMOWKDM-AWEZNQCLSA-N 296.415 0.102 0 50 CCAA O=C1NCCCC[C@H]1n1cnc2cnccc2c1=O 32587329 FQVLXDZNPHTXRX-LLVKDONJSA-N 258.281 0.633 0 50 CCAA CSC1(CNC(=O)[C@@H]2C[C@H]2C(=O)O)CCOCC1 262364420 DSXSWARSCJYITJ-RKDXNWHRSA-N 273.354 0.736 0 50 CCAA CCOc1cc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)ncn1 284630956 SRZBWWOYBAWCQD-ZJUUUORDSA-N 277.328 0.478 0 50 CCAA COCc1cccc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c1 285639026 TXVCQSMVIUTOQE-OAHLLOKOSA-N 292.335 0.285 0 50 CCAA CCO[C@H]1C[C@@](CO)(NC(=O)NCCC(=O)O)C1(C)C 263351203 HWCZNIZRQVFKLS-ZANVPECISA-N 288.344 0.326 0 50 CCAA O=C(NCCn1ccnn1)[C@@H]1COc2ccccc2C1 426534473 OQZXBMSPUSQYRX-LBPRGKRZSA-N 272.308 0.646 0 50 CCAA Cc1ccc(CNC(=O)NC[C@@H]2CCNC[C@H]2O)cc1 426423163 YBVNGQHRHVYRNY-UONOGXRCSA-N 277.368 0.765 0 50 CCAA Cc1nc(CNC(=O)[C@H]2CCCN(C(C)C)C2)cc(=O)[nH]1 95501765 JDNGYXCXUOWITC-LBPRGKRZSA-N 292.383 0.815 0 50 CCAA NS(=O)(=O)Cc1cccc(NC(=O)C2(O)CCCC2)c1 267930777 ODJNQZCJFUSJRE-UHFFFAOYSA-N 298.364 0.719 0 50 CCAA O=C(O)[C@H]1CN(C(=O)C2CC2)CCN(c2cnccn2)C1 97681763 XDQURJUGIJMRTM-LLVKDONJSA-N 290.323 0.236 0 50 CCAA CCN1C[C@H](C(=O)NCCc2cscn2)CC1=O 91326302 OIRFTXQBJURPBG-SECBINFHSA-N 267.354 0.670 0 50 CCAA CNC(=O)c1n[nH]c2c1[C@@H]([C@H]1CC[C@@H](N)CC1)CC(=O)N2 244633583 GFLJTASFRQZGBP-HRDYMLBCSA-N 291.355 0.713 0 50 CCAA CCN1CCN(CC(=O)NCCc2nccs2)CC1 345691430 AKMJMTKZUHPHCM-UHFFFAOYSA-N 282.413 0.439 0 50 CCAA C=CC(=O)NCC1(N2CCOCC2)CCOCC1 863971254 LURRJQAZAKRNDU-UHFFFAOYSA-N 254.330 0.170 0 50 CCAA Cc1cc(C(=O)N2C[C@H]3C[C@H]3C2)nc2nc(O)nc(O)c12 628508959 DCRUAMGBSORKES-OCAPTIKFSA-N 286.291 0.836 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 534652617 AONWDXMPJZWIBA-ZYHUDNBSSA-N 276.340 0.505 0 50 CCAA COCCN1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)NC3)CC1 534593158 UDJLQXWXDMSRDY-ZFWWWQNUSA-N 295.427 0.555 0 50 CCAA CC[C@@H](NC(=O)CCc1ccnn1C)c1ncnn1C 534590902 NCQVAJLBZWCMNQ-LLVKDONJSA-N 276.344 0.749 0 50 CCAA Cc1n[nH]c(C)c1CCCN(C)C(=O)N[C@H]1CCNC1=O 534633466 XPFBULOPVYVOSG-LBPRGKRZSA-N 293.371 0.489 0 50 CCAA CS(=O)(=O)CCC(=O)NC1Cc2ccccc2C1 273981786 YXWPTKXAGWDTMH-UHFFFAOYSA-N 267.350 0.705 0 50 CCAA Cc1cccc(F)c1C(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1940194984 GSASIBXUJPELSH-FPQZTECRSA-N 281.283 0.391 0 50 CCAA O=C(CCCn1cncn1)N[C@H]1CCc2c[nH]nc2C1 828015027 JLECUPFYODXJSU-NSHDSACASA-N 274.328 0.455 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)c1cccc(O)n1 828928336 GYRYHEPGIDGARO-UHFFFAOYSA-N 272.308 0.754 0 50 CCAA Cc1nc(CC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)n[nH]1 585134784 JVNMOZKHZLBTGB-VWYCJHECSA-N 292.339 0.900 0 50 CCAA COc1cccc2c(=O)n([C@H]3CCS(=O)(=O)C3)cnc12 584896053 PZEPCISAXZGQSN-VIFPVBQESA-N 294.332 0.765 0 50 CCAA CCCN1C[C@@H](NC(=O)c2cc3ncccn3n2)CC1=O 584894679 QQFBBOCQZYVXLK-JTQLQIEISA-N 287.323 0.470 0 50 CCAA O=C(CCn1cnnn1)NC1(c2ccccc2)CC1 584889348 YGAJAOKDDLLEQD-UHFFFAOYSA-N 257.297 0.869 0 50 CCAA O=C(CN1CCOCC1)NCCCn1cc(Cl)cn1 584901454 OZUUUHFPNOXFEA-UHFFFAOYSA-N 286.763 0.375 0 50 CCAA C[C@@H](C(=O)NC[C@@H]1CC[C@H]2COCC[C@H]2C1)n1cnnn1 1875307852 NEASICMMWRTMCK-RNJOBUHISA-N 293.371 0.803 0 50 CCAA CCCn1cc(CNC(=O)c2cc(C)ncn2)nn1 952884109 XYFUZZJIUVFEHI-UHFFFAOYSA-N 260.301 0.717 0 50 CCAA CCOC[C@H](C)CS(=O)(=O)NCCc1cc[nH]n1 952884111 XZJQYERDGAIZLU-JTQLQIEISA-N 275.374 0.544 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N1C[C@@H](O)[C@H](F)C1 952969941 KUPNCTANQVZTNZ-NXEZZACHSA-N 268.292 0.006 0 50 CCAA Cc1cc(CN2CCN([C@]3(C(=O)O)CCOC3)CC2)on1 886072023 YILWVNWZBPBIMG-CQSZACIVSA-N 295.339 0.344 0 50 CCAA O=C(NCC[C@@H]1CCCCO1)C1=NO[C@@]2(CCCNC2)C1 888096393 FNGCPPXQSBSHHF-WFASDCNBSA-N 295.383 0.960 0 50 CCAA C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)[C@H]1CCCO1 585125441 SJWVHYUXLFHLFX-VPOLOUISSA-N 254.330 0.632 0 50 CCAA O=C(N[C@@H]1CCCS(=O)(=O)C1)c1ncc(F)cc1F 408383829 IFMHEDHQDYDHGW-MRVPVSSYSA-N 290.291 0.667 0 50 CCAA Cc1cc(NC(=O)Cn2cc(F)ccc2=O)no1 190754989 LUKWEZVWVNPOPX-UHFFFAOYSA-N 251.217 0.923 0 50 CCAA NC(=O)CC1CCN(C(=O)[C@@H](C(=O)O)C2CCCC2)CC1 663088108 FLFYWPRZGDEGTH-ZDUSSCGKSA-N 296.367 0.991 0 50 CCAA Cn1nc(C(=O)Nc2ccn(CC(=O)O)n2)cc1C1CC1 663144689 IBPDYBJRISZQFN-UHFFFAOYSA-N 289.295 0.831 0 50 CCAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1cnc[nH]1 1529104653 RXWVVOODQGOHOT-DGCLKSJQSA-N 272.308 0.792 0 50 CCAA CN1C(=O)NCC12CN(c1ncnc3ccsc13)C2 1857685673 OVAPPZXMOHEWSY-UHFFFAOYSA-N 275.337 0.905 0 50 CCAA Cc1nc(CCNC(=O)[C@@H]2CNC(=O)N2)sc1C 1857690583 OHGJYYSQVBNMEM-QMMMGPOBSA-N 268.342 0.100 0 50 CCAA CSC(C)(C)[C@H](N)C(=O)NCc1nonc1C 1875244420 JLQSDKMUMZGROI-MRVPVSSYSA-N 258.347 0.463 0 50 CCAA COc1cccc(S(=O)(=O)N[C@@H]2CCNC2)c1 130743931 LVCHPLIGBNGDGC-SECBINFHSA-N 256.327 0.335 0 50 CCAA CO[C@H]1C[C@@H](CN(C)CC2(O)CCOCC2)N(C)C1 345152295 RZMCTAUYXFKJLY-STQMWFEESA-N 272.389 0.179 0 50 CCAA O=C(O)[C@@]1(n2ncc(CO)n2)CCOC2(CCC2)C1 1875305027 CPOUVJILKMJHTG-GFCCVEGCSA-N 267.285 0.283 0 50 CCAA CCc1c(C(=O)N[C@@H]2C[C@H](N)C23CCC3)nnn1CC 1615553422 GYTXRQMJTOYIRV-WDEREUQCSA-N 277.372 0.860 0 50 CCAA C[C@H]1CN(CCO)CCN1c1ncc(Cl)cn1 576701177 ICKKLFBSUJJJLE-VIFPVBQESA-N 256.737 0.633 0 50 CCAA CC(C)n1cncc1CN1CC[C@]2(CNC(=O)CO2)C1 1772808555 TXNZEAZPLBVFRV-AWEZNQCLSA-N 278.356 0.555 0 50 CCAA O=C(CC1=CCCC1)N1C[C@@H]2CNC[C@@]2(CO)C1 1772818828 LVCMWMDAUOOPCQ-JSGCOSHPSA-N 250.342 0.527 0 50 CCAA Cc1nc(-c2ccccc2O)n(S(=O)(=O)N(C)C)n1 13126286 MVNFRNAIONQIPV-UHFFFAOYSA-N 282.325 0.614 0 50 CCAA CC[C@]12COC(=O)N1CCN(C(=O)c1c[nH]c(=N)s1)C2 1857680395 ICYFGDRCPOYNNV-LBPRGKRZSA-N 296.352 0.612 0 50 CCAA Nc1cncc(N2CCC(N3CCC[C@@H](O)C3)CC2)n1 1857695595 QCHCLJWBRZCEQJ-GFCCVEGCSA-N 277.372 0.484 0 50 CCAA N[C@@H]1C[C@H](C(=O)N(Cc2ccncc2)C2CC2)C[C@H]1O 1875246760 AIPKTUYPYTVFQH-IACUBPJLSA-N 275.352 0.671 0 50 CCAA COc1ccnc(N2CCC([C@@H](O)CO)CC2)n1 1772817641 SSORTCDLWZCVEV-JTQLQIEISA-N 253.302 0.055 0 50 CCAA CC(C(=O)N1CCC[C@](O)(CC(N)=O)C1)=C1CCC1 818463763 GHGRYZLIOXNNOF-AWEZNQCLSA-N 266.341 0.716 0 50 CCAA COCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101526372 RHNBFXSXHUOITF-QWRGUYRKSA-N 280.324 0.090 0 50 CCAA CN(CC(C)(CO)CO)c1ccc(C(F)(F)F)nn1 271080349 ILILBJQWLGILMR-UHFFFAOYSA-N 279.262 0.923 0 50 CCAA Cc1ccccc1CCNC(=O)[C@H]1CNCCOC1 643620659 HQPCZWBIQKKQLQ-AWEZNQCLSA-N 262.353 0.890 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1CCC(=O)N(C)C 643878095 JLHURESBYKOAAJ-GFCCVEGCSA-N 258.318 0.030 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1O)[C@H]1CCCN1C1CCOCC1 248911841 JDQIOTPXDDRGOL-MCIONIFRSA-N 282.384 0.659 0 50 CCAA CC1=C(C(N)=O)[C@@H](c2ccc(F)cc2)N2NC=NC2=N1 71203 RAOVOPWUIQZQRI-LLVKDONJSA-N 273.271 0.844 0 50 CCAA Nc1nonc1C(=O)NCCNCc1ccc(Cl)cc1 2860495 LDGMYGVYQCEUHE-UHFFFAOYSA-N 295.730 0.825 0 50 CCAA O=S1(=O)CC[C@@H](NC(=S)N2CCCCCC2)C1 4304905 RIJJTQHJNMVQAC-SNVBAGLBSA-N 276.427 0.924 0 50 CCAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)N1CCOCC1 115141272 WINUOQBDRDBNOX-OPRDCNLKSA-N 254.286 0.376 0 50 CCAA CCn1cc(CCN2C[C@H](OC)C[C@H]2CO)cn1 348415113 MWZOEDDMEVXZAS-QWHCGFSZSA-N 253.346 0.527 0 50 CCAA Cn1cccc1CN1CCN(S(C)(=O)=O)CC1 20428502 HASQMSVZROWASA-UHFFFAOYSA-N 257.359 0.102 0 50 CCAA CN1C(=O)[C@@H](Cc2nc(-c3ccccc3)n[nH]2)N(C)C1=O 65370387 YLQPWKLYGMUYLD-SNVBAGLBSA-N 285.307 0.907 0 50 CCAA CC[C@@H]1CN(C(=O)CSc2nncn2C)CCO1 64926610 FVUDENQNTYRJNZ-SECBINFHSA-N 270.358 0.545 0 50 CCAA CC(=O)NCCC(=O)NCC(C)(C)N1CCCC1 62364345 FNHHSPULTNFFOZ-UHFFFAOYSA-N 255.362 0.503 0 50 CCAA CS(=O)(=O)N(Cc1ccccn1)C[C@@H]1CCOC1 330584710 WLYZMNXESPAEIX-NSHDSACASA-N 270.354 0.880 0 50 CCAA CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(=O)O)C1 236977094 MRKBBJMRFRSCRT-NXEZZACHSA-N 270.329 0.472 0 50 CCAA O=C(Cc1ccccn1)NCc1nnnn1-c1ccccc1 215791536 QZVFGHGKARZYKV-UHFFFAOYSA-N 294.318 0.916 0 50 CCAA O=C(c1cccc2c1OCC2)N1CCC(O)(C(=O)O)CC1 71771217 CWPDINPDFFAAIQ-UHFFFAOYSA-N 291.303 0.673 0 50 CCAA C[C@H](C(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1)S(C)(=O)=O 378049615 ZEUBVBSAADMJSW-VWYCJHECSA-N 289.397 0.836 0 50 CCAA O=C(c1ccco1)N1CCC[C@](O)(Cn2ccnn2)C1 284655708 PEGDPSURBWSJSQ-CYBMUJFWSA-N 276.296 0.538 0 50 CCAA CN1C(=O)C[C@@H](N[C@@H]2CCSC2)[C@@H]1c1ccnn1C 284758938 FZBIMQCKZZHCMC-GIPNMCIBSA-N 280.397 0.787 0 50 CCAA COc1ccc(S(=O)(=O)NCCC(=O)O)c(C)c1F 262446736 QLGJYZFGXFYRLL-UHFFFAOYSA-N 291.300 0.896 0 50 CCAA COc1cccc(F)c1C(=O)N[C@@H](CCC(=O)O)C(=O)O 88079751 IIUMOWPDAGJROL-QMMMGPOBSA-N 299.254 0.882 0 50 CCAA COCCn1cnnc1CN(C)C(=O)[C@@H](C)n1ccnc1 426505766 LPRLOWULLXHUBN-LLVKDONJSA-N 292.343 0.341 0 50 CCAA O=C(O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239402603 QVKBNBWTDBEIPL-LNYHADBWSA-N 261.277 0.514 0 50 CCAA O=C1NCCN1[C@@H]1CCCN(c2nccn3cnnc23)C1 536187738 BWSWQXGHVJTSFN-SNVBAGLBSA-N 287.327 0.118 0 50 CCAA CCc1ncc(C(=O)N[C@H](CCSC)C(=O)O)cn1 95524560 ULQVIOMTDRIYRV-SECBINFHSA-N 283.353 0.975 0 50 CCAA CNC(=O)c1noc(CN2CC[C@](C)(O)[C@H](C)C2)n1 92001531 HKGUXUHTKRNKCC-PELKAZGASA-N 268.317 0.022 0 50 CCAA CC[C@H](O)Cn1ncnc1CCCn1cncn1 95370626 VAQDJIJUWDLCOF-JTQLQIEISA-N 250.306 0.273 0 50 CCAA C[C@@]1(O)CCN(C(=O)Cc2cncs2)C[C@@H]1O 96138435 ZJYNPLYFYYPNFV-GXSJLCMTSA-N 256.327 0.030 0 50 CCAA CN(CCc1ncon1)C(=O)CCN1CCCCC1=O 243901254 BALXEEYIPUFLKL-UHFFFAOYSA-N 280.328 0.473 0 50 CCAA NC(=O)[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCO1 252517878 UDOSLDJNMNSODN-GMTAPVOTSA-N 269.345 0.509 0 50 CCAA C[C@@H](C(=O)NCC1(O)CCN(C)CC1)n1ccnc1 252499185 RWTHDSQDEMOQSP-NSHDSACASA-N 266.345 0.017 0 50 CCAA CCn1nccc1S(=O)(=O)NCC[C@H]1CCCCN1 534639472 CHSRIVRVEMZYRQ-LLVKDONJSA-N 286.401 0.714 0 50 CCAA COc1cccc([C@@]2(CC(=O)O)CC(=O)N(C)C2=O)c1 299777498 HHYCQIVDXUQNQQ-AWEZNQCLSA-N 277.276 0.796 0 50 CCAA Cc1n[nH]nc1C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N(C)C 299756584 HMENYXRUFOWGOE-IAZYJMLFSA-N 263.345 0.525 0 50 CCAA COC[C@@H]1CCCN1S(=O)(=O)NCCC(C)(C)OC 824370989 IVAFETNBRRWNBL-NSHDSACASA-N 294.417 0.747 0 50 CCAA CCN1CCN(CC(=O)NCCc2scnc2C)CC1 823112810 HCYMPEFOCJCASG-UHFFFAOYSA-N 296.440 0.748 0 50 CCAA COC(=O)c1ccc(NS(C)(=O)=O)c(OCCO)c1 585136300 AFCHACKTDJEGHR-UHFFFAOYSA-N 289.309 0.216 0 50 CCAA O=C(CCCn1cnnn1)N[C@H](CO)c1ccc(F)cc1 670448712 LJBUOBBELGNNAO-GFCCVEGCSA-N 293.302 0.442 0 50 CCAA COC(=O)/C=C/CCNC(=O)c1csc(=NC2CC2)[nH]1 1875314085 GMZDUISCEFTVKE-DUXPYHPUSA-N 295.364 0.988 0 50 CCAA NC(=O)[C@@H](O)CNC(=O)c1cccc(CC(F)(F)F)c1 1875329280 OILWBGZESZPGMD-VIFPVBQESA-N 290.241 0.367 0 50 CCAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)CCn1cnnc1 952972227 ZMKXVSXWNYJOGC-LBPRGKRZSA-N 293.371 0.528 0 50 CCAA O=C(NC[C@H]1CCNC[C@@H]1O)c1cc(O)ccc1F 1565525320 BKUHBPAJVHWQOM-PELKAZGASA-N 268.288 0.232 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC[C@@H]1c1nncn1C 1319672039 WYLUKRANQCPDOE-SNVBAGLBSA-N 277.328 0.171 0 50 CCAA O=C(O)c1cnn(CC(=O)N2CCOC[C@@H]2C2CC2)c1 630180950 MJYKJRNYPBVVLA-LLVKDONJSA-N 279.296 0.219 0 50 CCAA C[C@H](NC(=O)N1CC[C@H](c2cnn(C)c2)C1)C(=O)N(C)C 172116197 HLWVLAJDOUWRJE-QWRGUYRKSA-N 293.371 0.396 0 50 CCAA O=C([C@H]1C[C@H](F)CN1)N1CCN(Cc2ccccn2)CC1 188795616 HHCXOPKBALRSBM-GXTWGEPZSA-N 292.358 0.426 0 50 CCAA C[C@H](C[S@](C)=O)N(C)S(=O)(=O)C1(C)CC1 408226675 OUSXUGJAYNKFMS-CLAHSXSESA-N 253.389 0.568 0 50 CCAA C[C@H]1[C@@H](C(=O)N[C@H](C)CS(C)(=O)=O)C1(F)F 408232084 RFXBIEHTHGJTJK-VQVTYTSYSA-N 255.286 0.437 0 50 CCAA CC1(C)NC(=O)CC[C@@H]1NC(=O)CCc1ncc[nH]1 673155392 KFPZCUPIKLOVCM-VIFPVBQESA-N 264.329 0.516 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)CCN1C(=O)CCc1cccnc1 210273980 HLYBALOFKKSLHE-NEPJUHHUSA-N 278.308 0.451 0 50 CCAA NCC(=O)N(CCO)CC12CC3CC(CC(C3)C1)C2 1506431724 WSCPLZBAHZMWRS-UHFFFAOYSA-N 266.385 0.982 0 50 CCAA CN(C)C(=O)c1cccc(NC2CCS(=O)(=O)CC2)n1 1506401890 OHCCSKGMMSOBHO-UHFFFAOYSA-N 297.380 0.773 0 50 CCAA O=C(O)C1=NN(c2cccc(C(=O)O)c2)C(=O)CC1 1535641930 RFLFSLZAWQEXIC-UHFFFAOYSA-N 262.221 0.952 0 50 CCAA N[C@@H]1CC[C@H](C(=O)NCCc2cccs2)C[C@H]1O 1857721168 COLLFFMTVOEWIG-MVWJERBFSA-N 268.382 0.895 0 50 CCAA Cc1nc(N2CCC(c3ccnc(N)n3)CC2)n(C)n1 1704298202 GTVXQBXAAZGJPT-UHFFFAOYSA-N 273.344 0.880 0 50 CCAA C[C@@H]1CCCN(C(=O)c2cncn2C)[C@@H]1C(=O)O 235292552 YOYQENRZEAYBLS-SCZZXKLOSA-N 251.286 0.745 0 50 CCAA O=C(Nc1ccccc1)N1C[C@H]2CNC[C@@]2(CO)C1 1772709540 NYEXQLJHCZOXBJ-RISCZKNCSA-N 261.325 0.732 0 50 CCAA OC[C@@]12CNC[C@H]1CN(CCCOc1ccccc1)C2 1775977925 NDYLSUOBQILDBI-HOCLYGCPSA-N 276.380 0.969 0 50 CCAA Cc1cc(C)nc(N[C@@H]2C[C@@H](C(=O)O)N(C)C2)n1 1772707683 XITZTFMRXWZEHO-ZJUUUORDSA-N 250.302 0.663 0 50 CCAA CC(C)(C)CN1C[C@H](NC(=O)c2cc[n+]([O-])cc2)CC1=O 11818362 GGQMKKAUWGZWJV-GFCCVEGCSA-N 291.351 0.697 0 50 CCAA C[C@H]1NC(=O)[C@@H]2C[C@H](NCc3cccc(F)c3)CN2C1=O 14733862 GEOHXAJOAWMLFX-ICCXJUOJSA-N 291.326 0.403 0 50 CCAA CCn1cnc(NC(=O)N(C)Cc2nonc2C)n1 19741004 LNLWSOYCMDUBDT-UHFFFAOYSA-N 265.277 0.653 0 50 CCAA NC(=O)C1(NC(=O)[C@@H]2CCn3nccc3C2)CCCC1 1857717490 VTTPCTAWCKRMTC-SNVBAGLBSA-N 276.340 0.360 0 50 CCAA COc1ccc(C(=O)N2CC[C@H](N)[C@@H](O)C2)cc1Cl 212873317 FKSRZDNZJGYMDL-QWRGUYRKSA-N 284.743 0.883 0 50 CCAA CN=c1ccc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)c[nH]1 367638367 OZMJIOAIJNTPMM-NSHDSACASA-N 286.339 0.683 0 50 CCAA C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H]1C(=O)O 262093861 HNNGAIMFHFHUFG-GXSJLCMTSA-N 264.281 0.925 0 50 CCAA CCOC(=O)[C@@H](Cc1ccnc(OC)n1)NC(C)=O 1857778123 FLXKTKPOQWWEMG-SNVBAGLBSA-N 267.285 0.096 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCN(CC)C(=O)[C@@H]1CC 861003934 YSVGCACKKLSMGL-NSHDSACASA-N 281.356 0.100 0 50 CCAA Cc1nscc1C(=O)N1CCO[C@H](CC(=O)O)C1 191008197 DVABNFUCQFGFIR-MRVPVSSYSA-N 270.310 0.767 0 50 CCAA O=C(Cc1cn2ccsc2n1)N1CCC[C@](O)(CO)C1 72174591 VYDJNJJIABYQAK-CYBMUJFWSA-N 295.364 0.284 0 50 CCAA CS(=O)(=O)C1CN(C(=O)c2ccc3n[nH]cc3c2)C1 562959034 BBRNIEUHYPVJNB-UHFFFAOYSA-N 279.321 0.432 0 50 CCAA Cc1cc(O)c(COC(=O)c2cn(CC3CC3)nn2)nn1 2325862771 IBGIZXNDTUUUCQ-UHFFFAOYSA-N 289.295 0.849 0 50 CCAA O=C1NCc2ccc(CNC(=O)[C@@H]3CCc4nccn43)cc21 2325890801 SWWILSIVWQXCTN-ZDUSSCGKSA-N 296.330 0.930 0 50 CCAA C[C@@H](N)C(=O)N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 237450140 ZOUJTTOHTCIQMB-MGPQQGTHSA-N 282.432 0.351 0 50 CCAA Cc1cccn2c(=O)cc(CN3C[C@@H]4CNC(=O)[C@@H]4C3)nc12 2356169197 WNPUKNCHRDVSEF-WCQYABFASA-N 298.346 0.181 0 50 CCAA CN(C)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 7871948 XKIRUMAKHCWZJS-UHFFFAOYSA-N 292.307 0.819 0 50 CCAA Cc1ncsc1CN(C)C(=O)[C@H]1CNCCO1 111668872 YBIRMDWRRJSTPX-SECBINFHSA-N 255.343 0.398 0 50 CCAA CC(C)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10338695 LQNMVTWOAIGIOP-UHFFFAOYSA-N 277.390 0.029 0 50 CCAA CN1CCCNC(=O)C12CCN(Cc1cnc[nH]1)CC2 67855306 YWHGLHBRVDKNJQ-UHFFFAOYSA-N 277.372 0.196 0 50 CCAA CC(C)n1cc(C(=O)NCC[C@H]2CN(C)CCO2)cn1 67973958 KELLRCWIEUPMSO-ZDUSSCGKSA-N 280.372 0.915 0 50 CCAA CC(C)Oc1cc(N2CCC[C@H](O)C2)nc(N)n1 65373398 TXANHFUENDJXSH-VIFPVBQESA-N 252.318 0.807 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCN(C)[C@H](C(=O)O)C2)n[nH]1 67805323 NKPJBSKJDFXVKA-LBPRGKRZSA-N 294.355 0.449 0 50 CCAA C[C@H]1CN(c2nccc(N3CC[C@@H](O)C3)n2)C[C@@H](C)O1 65465349 JEVJFMUXWTZGHE-GRYCIOLGSA-N 278.356 0.661 0 50 CCAA CCC[C@](C)(O)C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328618685 DXEYJNGCOGOVOZ-RISCZKNCSA-N 280.372 0.776 0 50 CCAA O=C(NCCN1C(=O)CCCC1=O)[C@H]1C[C@H]1C1CC1 333064074 SXJOAXMFPGKOKK-QWRGUYRKSA-N 264.325 0.688 0 50 CCAA Cn1ncc2c(NCCN3CCCS3(=O)=O)ccnc21 330248517 MGOAMZMNBKSINL-UHFFFAOYSA-N 295.368 0.416 0 50 CCAA C[S@@](=O)CCCn1c(=O)[nH]c2ccccc2c1=O 153361364 BIDLVFXKIVLCMV-SFHVURJKSA-N 266.322 0.458 0 50 CCAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1NC2 333625918 ZHYOEONKZWHJAK-CABNGKKXSA-N 291.395 0.644 0 50 CCAA CCO[C@@H]1C[C@](CO)(NCc2cn(C)nn2)C1(C)C 331746693 DBAZONRFAOJUTD-DGCLKSJQSA-N 268.361 0.471 0 50 CCAA Nc1ncnc(N2CCC[C@H]2Cn2cncn2)c1Cl 369010062 MXTVQLGGYWJGAR-QMMMGPOBSA-N 279.735 0.973 0 50 CCAA CC1=CC[C@@H]2CN(Cc3cc(=O)[nH]c(=O)[nH]3)C[C@@H]2C1 72151685 ODAUEWWOCMJGLB-MNOVXSKESA-N 261.325 0.851 0 50 CCAA CCc1ccnc(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1 285591638 TWNBQGBQBBDSGT-SKDRFNHKSA-N 277.324 0.359 0 50 CCAA Nc1ccccc1S(=O)(=O)N1CCN(C2CC2)CC1 40338214 OLLFWTSJMIEOSD-UHFFFAOYSA-N 281.381 0.738 0 50 CCAA CS(=O)(=O)NC1=NCN(CCC2=CCCCC2)CN1 40387264 XPADMDRHTMKYHD-UHFFFAOYSA-N 286.401 0.602 0 50 CCAA CCCC1(C(=O)O)CCN(C(=O)CNC(=O)N(C)C)CC1 426545218 VJRZRGQYJHCDGO-UHFFFAOYSA-N 299.371 0.751 0 50 CCAA CN(C)c1ccc(CCNC(=O)C[C@@H]2COCCN2)cc1 97515013 DGSUJSUPJNGHEZ-CQSZACIVSA-N 291.395 0.790 0 50 CCAA CSCCc1nc(CCc2nncn2C)n(CCO)n1 97766509 VLYRBDUFAYSFID-UHFFFAOYSA-N 296.400 0.090 0 50 CCAA N[C@H]1CN(C(=O)Cc2ccc(CO)cc2)C[C@@H]1C1CC1 91255981 ZNXHMHPHLVDECP-CABCVRRESA-N 274.364 0.917 0 50 CCAA CC(C)(C)NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@H]31)[C@H]2O 238881911 BLAZTYWQGVOJKT-JRKXVGBNSA-N 253.298 0.070 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)c1cn(C)nn1 293911598 MJLWYSYDAJSNNK-LLVKDONJSA-N 279.344 0.192 0 50 CCAA CN(C)C[C@@H]1COCCN(Cc2cn[nH]c2C(=O)O)C1 97745176 BTQFHKDCDQOCHJ-JTQLQIEISA-N 282.344 0.118 0 50 CCAA Nc1nc(N)nc(CN2CC[C@H](Oc3ccccn3)C2)n1 268659756 IVRFEKYAYCARBK-VIFPVBQESA-N 287.327 0.084 0 50 CCAA O=C(NCCCn1ccnn1)c1n[nH]c2c1CCC2 344494147 YSZFLYQVTDIBLN-UHFFFAOYSA-N 260.301 0.310 0 50 CCAA CC[C@@H](NC(=O)Cn1cc(C)cn1)[C@H]1C[C@H](O)C1 252539891 OQGOXMFBZSVDTK-IJLUTSLNSA-N 251.330 0.857 0 50 CCAA CCc1nc(CCNC(=O)CCn2cnnn2)cs1 534645421 UCGPNQGGWGOCEC-UHFFFAOYSA-N 280.357 0.441 0 50 CCAA Cc1n[nH]cc1-c1cncc(C(=O)N2CCOCC2)n1 534587328 SQTBJHUQKBQVKI-UHFFFAOYSA-N 273.296 0.648 0 50 CCAA COc1cn(CC(=O)N2CCSCC2)c(C)cc1=O 263588508 UZHFSJULGRKIOO-UHFFFAOYSA-N 282.365 0.741 0 50 CCAA Cc1ncn(C)c1C(=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 534659657 MCAXFYFXTNGNFU-BKUVIOGVSA-N 260.341 0.551 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc(C)c1O 1940196896 CDFAGMKBBCYONG-HBJVGIJOSA-N 293.319 0.266 0 50 CCAA CN(C)CC1(O)CCN(C(=O)C[C@H]2CCCOC2)CC1 584890943 DBHKLPKFIMVTKZ-CYBMUJFWSA-N 284.400 0.718 0 50 CCAA N[C@]1(C(=O)NC[C@@H]2CCOC2=O)CCC[C@H]2C[C@H]21 1875355607 ANYMFIDLQQPOGO-QISWUMQESA-N 252.314 0.183 0 50 CCAA O=C(O)[C@]1(N2CCN(Cc3ccncc3)CC2)CCOC1 952853078 ZXSRKPPKWNBZMO-HNNXBMFYSA-N 291.351 0.443 0 50 CCAA O[C@@H](CN1CCN(c2nc[nH]n2)CC1)c1ccccc1 878823497 XWZJCHCNFCGSOJ-ZDUSSCGKSA-N 273.340 0.660 0 50 CCAA CC(=O)NC[C@H]1CN(Cc2cc(C)no2)CCCO1 888103720 VTBLSHLHBYCWPH-ZDUSSCGKSA-N 267.329 0.710 0 50 CCAA CS(=O)(=O)NCC1CCN(c2nccs2)CC1 893822782 REANPYCVKALITR-UHFFFAOYSA-N 275.399 0.909 0 50 CCAA NCC(F)(F)CNC(=O)[C@H]1NCCOc2ccccc21 1772230005 ZVBVBZFLEWZCRL-NSHDSACASA-N 285.294 0.420 0 50 CCAA COc1ccc(C(=O)N[C@@]2(CO)CCOC2)c(C)c1 273359657 CICXEBHUSQLGFJ-CQSZACIVSA-N 265.309 0.885 0 50 CCAA CC[C@H]1NC(=O)N(C[C@H](n2cncn2)C(F)(F)F)C1=O 630991303 JJWJRYPPLZWEJW-RQJHMYQMSA-N 291.233 0.712 0 50 CCAA Cc1cncc(C(=O)N[C@@]2(CCO)CCOC2)c1 278047605 IXKIBUWAAUINHT-ZDUSSCGKSA-N 250.298 0.661 0 50 CCAA C[C@@H]1C[C@@H](C(=O)NC[C@@H](n2cncn2)C(F)(F)F)CO1 633985325 VOSGJFXHSXXULT-IWSPIJDZSA-N 292.261 0.923 0 50 CCAA C[C@@H]1COCCN1CCn1c(-c2ncccn2)noc1=O 188306578 ODGYSPUSLPDFMS-SNVBAGLBSA-N 291.311 0.014 0 50 CCAA Cn1ccc(CN[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)n1 639372032 WEIUSDGAHAJAQY-MJBXVCDLSA-N 264.373 0.497 0 50 CCAA CC(C)c1nccc(N2CCC[C@@]3(C2)NC(=O)NC3=O)n1 302866246 VCYZLUJPCHDTOT-AWEZNQCLSA-N 289.339 0.778 0 50 CCAA C[C@H](NC(=O)c1cn(C)nc1C1CC1)c1nc[nH]n1 569089840 PRNMOYRPRKICON-ZETCQYMHSA-N 260.301 0.907 0 50 CCAA CO[C@@H]1CN(Cc2n[nH]cc2C)C[C@H]1c1cnn[nH]1 668577105 TUIWXBOFSPOWAK-JOYOIKCWSA-N 262.317 0.451 0 50 CCAA O=C(c1ccco1)N1CCCN(C(=O)[C@H]2C=CCN2)CC1 1506418908 URHZGESYWKQXSX-GFCCVEGCSA-N 289.335 0.482 0 50 CCAA Cc1cc(C)n(C[C@@H](C)N2CCN(CC(=O)O)CC2)n1 1506404075 FQMFKVZFOQIUEV-CYBMUJFWSA-N 280.372 0.591 0 50 CCAA NC[C@@H]1CCCCN1C(=O)CCN1CCCC1=O 237824719 PWIDTKRANVYXPJ-NSHDSACASA-N 253.346 0.339 0 50 CCAA Nc1nccnc1C(=O)NC1(C(=O)O)CCCC1 238057813 YIMKQPPVLFWFON-UHFFFAOYSA-N 250.258 0.186 0 50 CCAA O=C(c1ncc[nH]1)N1CCN(c2ccncc2)CC1 665519793 BMJCAJFGWXDQDM-UHFFFAOYSA-N 257.297 0.767 0 50 CCAA C[C@@H](CN1CCCCC1)C(=O)N(CCO)Cc1ncc[nH]1 1704314853 WZUDDIHAVZLGOJ-ZDUSSCGKSA-N 294.399 0.853 0 50 CCAA N[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]12 688558799 AJIDGOHWFMMKPN-XQQFMLRXSA-N 266.366 0.243 0 50 CCAA CSCC[C@H](C)NS(=O)(=O)c1cnccn1 1615606431 XWSBFPAFQDHPIH-QMMMGPOBSA-N 261.372 0.897 0 50 CCAA COCCn1cncc1CN1CCOC[C@H](C(=O)O)C1 1775977789 MKDLFRVFLSHXIJ-LLVKDONJSA-N 283.328 0.063 0 50 CCAA CO[C@H]1CN(c2ncc(C(C)=O)c(C)n2)C[C@@H]1O 1772705699 YZEODMIOMGXBKF-QWRGUYRKSA-N 251.286 0.184 0 50 CCAA Cc1nsnc1C(=O)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775981124 ADJMQDUTLJRTJE-AYMMMOKOSA-N 253.327 0.689 0 50 CCAA NC(=O)C1CCN(C(=O)c2n[nH]nc2-c2ccccc2)CC1 206650776 KEJWDRJNTNUXHD-UHFFFAOYSA-N 299.334 0.809 0 50 CCAA Cc1[nH]nc(C(=O)NCc2ncon2)c1Br 1857702876 RYVSSMHQDIQPMI-UHFFFAOYSA-N 286.089 0.794 0 50 CCAA CCn1cnnc1CN1CCN2C(=O)OC[C@@]2(CC)C1 1857703443 MNOOKSBWWOKQDL-CYBMUJFWSA-N 279.344 0.715 0 50 CCAA O=C1N[C@H]2C[C@@H]1N(C(=O)c1nnc(O)c3ccccc13)C2 1857670074 OIKQOJYTYUGMPV-XVKPBYJWSA-N 284.275 0.048 0 50 CCAA CCOC(=O)N1CCN(C[C@@H](O)COC(C)C)CC1 19938333 LNGHOSSVHMUVGN-GFCCVEGCSA-N 274.361 0.546 0 50 CCAA Cc1nc2nc(NC(=O)c3cscn3)[nH]n2c(=O)c1C 1875241588 XQRMDKWODNQJDX-UHFFFAOYSA-N 290.308 0.743 0 50 CCAA C[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@@H](C2CC2)O1 329902311 PHEOMHKFQPRMKA-BNOWGMLFSA-N 265.357 0.743 0 50 CCAA C1CC(N2CCN(CC[C@@H]3COCCO3)CC2)CCO1 1775980305 XXQYQABURVFPAL-OAHLLOKOSA-N 284.400 0.589 0 50 CCAA CC[C@H](C(=O)O)N1CCN([C@@H](C)c2nc(C)no2)CC1 191432406 VPPLRLPOUKGFBM-GXSJLCMTSA-N 282.344 0.920 0 50 CCAA CN(CCNc1nnc(C2CC2)o1)S(C)(=O)=O 95390425 WLGNXXDBOXXTAY-UHFFFAOYSA-N 260.319 0.250 0 50 CCAA O=C([C@@H]1CCO[C@H]1C1CC1)N1CCCc2nn[nH]c21 2325762871 JEAHHISCBHATTK-KOLCDFICSA-N 262.313 0.899 0 50 CCAA CNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C 279783 HQTWCRWDUKYYBL-UHFFFAOYSA-N 279.344 0.522 0 50 CCAA biogenic O=C(C[C@@H]1NCCNC1=O)Nc1ccc(Cl)cc1 4702798 XPNVOBZGOBTUNQ-JTQLQIEISA-N 267.716 0.757 0 50 CCAA Cc1ccc(NS(=O)(=O)N2CCOCC2)cc1 4869975 FFCHEXBPUQVCND-UHFFFAOYSA-N 256.327 0.984 0 50 CCAA O=C(O)COCC(=O)Nc1ccc(N2CCCC2=O)cc1 8816129 LRRFDCPSSPKHJG-UHFFFAOYSA-N 292.291 0.853 0 50 CCAA C[C@@H]1O[C@H](C)[C@@H](C(=O)N2CCCN(CC(=O)O)CC2)[C@@H]1C 226714686 AWYPYRMUTLSTFJ-CZXHOFHRSA-N 298.383 0.665 0 50 CCAA C[C@@H](CN)CNC(=O)NC[C@H]1NCCc2ccccc21 418500401 ZGMIUAVMFAUPSA-SMDDNHRTSA-N 276.384 0.767 0 50 CCAA O=C(CCN1CCCCO1)NCCc1c[nH]cn1 55384497 GLMSRRPNSVRWQP-UHFFFAOYSA-N 252.318 0.486 0 50 CCAA Nc1nnc(SCC(=O)N[C@H]2CCSC2)s1 20587229 CEWUCQQHLIQSJZ-YFKPBYRVSA-N 276.412 0.834 0 50 CCAA O=C(NCCN1CCCOC1=O)c1cc(C2CC2)n[nH]1 20661396 XXMBDEIMFRPFMJ-UHFFFAOYSA-N 278.312 0.859 0 50 CCAA COC(=O)CN1CCN(Cc2ccccc2)[C@H](C)C1=O 65370177 CDNXSDKUMBDNKZ-GFCCVEGCSA-N 276.336 0.892 0 50 CCAA Cc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 20912201 CIKMESDVGDRRQZ-HOTGVXAUSA-N 276.380 0.872 0 50 CCAA CCCn1nc2c(cc1=O)CN([C@@H]1C[C@@H](C)OC1=O)CC2 229324235 ASTIHFOOPMZESY-ZWNOBZJWSA-N 291.351 0.715 0 50 CCAA Cc1cc(=O)c(CO)nn1C[C@H]1CCO[C@H](C)C1 330063329 QAAVKIVLRJWDHD-MNOVXSKESA-N 252.314 0.859 0 50 CCAA C[C@@H](NS(=O)(=O)C1COC1)[C@H](O)Cc1ccccc1 330205529 DNLHGGPPRIFSCN-ZWNOBZJWSA-N 285.365 0.297 0 50 CCAA C[C@@H]1CN(C[C@@H](O)c2cccc(Cl)c2)C[C@H](C(N)=O)O1 230153857 QDBSRRYYZQYPOA-OASPWFOLSA-N 298.770 0.948 0 50 CCAA Cc1noc([C@@H](C)NS(=O)(=O)N2CCCC2)n1 408083032 SJTBZRUBORFMDO-SSDOTTSWSA-N 260.319 0.369 0 50 CCAA CC(=O)N[C@H]1CCCN(C(=O)c2ccc(C(=O)O)nc2)C1 330407555 OZCOROWGITZOTF-NSHDSACASA-N 291.307 0.521 0 50 CCAA COc1ncccc1NC(=O)[C@@H]1C[C@H](OC)CN1C 330541081 WBFMMOKDZFCJMH-ONGXEEELSA-N 265.313 0.748 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(Cc2nnnn2-c2ccccc2)C1 284657980 PYQOUHXZFNDFIO-QWHCGFSZSA-N 289.339 0.244 0 50 CCAA CCC(=O)N1CC[C@@H](C(=O)NS(=O)(=O)CC(C)C)C1 123417080 NFTFJLAUPBXXNS-SNVBAGLBSA-N 290.385 0.347 0 50 CCAA Cn1cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)nn1 329381285 QFYGPTDYACBVBA-LLVKDONJSA-N 263.345 0.259 0 50 CCAA CN(CC1CCCCC1)C(=O)Cn1cnn(C)c1=O 329705110 JYRFIMAEYUWGNG-UHFFFAOYSA-N 266.345 0.621 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 219886523 POTNHTJHQBBRMZ-GBIKHYSHSA-N 287.323 0.750 0 50 CCAA NS(=O)(=O)c1ccc(C(=O)NCc2ccncn2)cc1 215536314 IMXGDSUQFZPSCK-UHFFFAOYSA-N 292.320 0.054 0 50 CCAA O=C(c1cccc2[nH]ncc12)N1CC[C@@H](N2CCNCC2)C1 285947629 GDSXSANPMACEIU-GFCCVEGCSA-N 299.378 0.683 0 50 CCAA Cc1cccc(C(=O)N[C@@H](C(=O)NCCN)C(C)C)c1 236679428 RZZARVKPPVAEGG-CYBMUJFWSA-N 277.368 0.824 0 50 CCAA CC1(O)CN(S(=O)(=O)C[C@H]2CCCC2(F)F)C1 333478510 XNEQQRQDACBDCP-MRVPVSSYSA-N 269.313 0.818 0 50 CCAA CS(=O)(=O)N1CCCC[C@H]1CCNc1ncncn1 219661540 MNIJIABHGVMVKV-JTQLQIEISA-N 285.373 0.488 0 50 CCAA O=C(O)C[C@@H]1COCCN1Cc1cccc(OCCO)c1 215326752 CUZRNEHXECUYLW-CYBMUJFWSA-N 295.335 0.733 0 50 CCAA O=C(NC[C@@H]1COCCO1)c1cccc2c1OCCO2 49376949 NQELTNHHDHJGNC-SNVBAGLBSA-N 279.292 0.603 0 50 CCAA Cc1cnn(CCC(=O)N2CCC[C@@H](C(=O)O)C2)c1 133072260 DVLSIRNZQUZOTL-LLVKDONJSA-N 265.313 0.905 0 50 CCAA O=C(Cn1cnc2cccc(F)c2c1=O)N1CCOCC1 177376534 RPEFMFLEGDXWCE-UHFFFAOYSA-N 291.282 0.394 0 50 CCAA CCOC(=O)Cn1cc(C=O)c(-c2cnn(C)c2)n1 616582919 QJIAYSLDUDEWAJ-UHFFFAOYSA-N 262.269 0.659 0 50 CCAA C[C@@H]1C(=O)NCCCN1C(=O)c1ccc2c(=N)[nH]cnc2c1 613876648 PWYJMGHGRGZLHE-SECBINFHSA-N 299.334 0.393 0 50 CCAA Cc1cnc(CNC(=O)Cc2ccc(OCCN)cc2)[nH]1 426746365 XQFPLUAQDBDYMA-UHFFFAOYSA-N 288.351 0.915 0 50 CCAA COc1csc(C(=O)N2CCOC[C@H]2C(=O)O)c1 161406698 HYEPKJHJETWOOM-QMMMGPOBSA-N 271.294 0.682 0 50 CCAA O=C(O)[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1 92022663 GJEFSMUEPUNISL-JTQLQIEISA-N 288.369 0.007 0 50 CCAA CCOC[C@@H](O)CNC(=O)c1cc(OC)cc(C(=O)O)c1 426707221 NMXNFEWVVKIYGL-NSHDSACASA-N 297.307 0.521 0 50 CCAA CCn1c(Cn2cncn2)nnc1C1CCN(C)CC1 92064836 UXGBPBLOQCYUBP-UHFFFAOYSA-N 275.360 0.747 0 50 CCAA NC(=O)[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)CCO1 97654090 DUBQGNQFZPYCQC-GFCCVEGCSA-N 298.726 0.755 0 50 CCAA Cc1ccc(CCNC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)o1 91505442 XCIRPMVNDLZNBR-NSHDSACASA-N 293.323 0.529 0 50 CCAA CCc1cc(C(=O)NCC(=O)NC(C)(C)C)cc(=O)[nH]1 97637878 CJECDRXHMJZYBC-UHFFFAOYSA-N 279.340 0.582 0 50 CCAA CCN1C[C@@H](C(=O)NCCc2cscn2)CC1=O 91326304 OIRFTXQBJURPBG-VIFPVBQESA-N 267.354 0.670 0 50 CCAA CCCc1cc(C(=O)NCCN2CCOC2=O)[nH]n1 91586105 FEKLYRLULDPFQK-UHFFFAOYSA-N 266.301 0.544 0 50 CCAA CN(Cc1cnccn1)c1cc([C@H]2C[C@@H](N)C2)nc(N)n1 244795286 RDHDTMGHQYKFFJ-AOOOYVTPSA-N 285.355 0.690 0 50 CCAA O=C([C@H]1CCCN1)N1CCC[C@H](C2OCCO2)C1 182105179 AOCLDIVDCJJYHX-WDEREUQCSA-N 254.330 0.350 0 50 CCAA COCCN1CC[C@H](C(=O)NCCc2c(C)n[nH]c2C)C1 244874803 XHOPEROGSJBYAY-ZDUSSCGKSA-N 294.399 0.654 0 50 CCAA CC(C)(C)C(=O)Nc1nnc(NS(C)(=O)=O)s1 298925949 CEANGMXWKUCFNA-UHFFFAOYSA-N 278.359 0.894 0 50 CCAA Cc1cnc(CN2CCN(CCC(=O)O)CC2)[nH]1 534643553 AQWWULJQJCGJQH-UHFFFAOYSA-N 252.318 0.310 0 50 CCAA CC(C)(C)N1C[C@H](CNC(=O)c2cncnc2)CC1=O 299787483 XRAQTMMNLCRULL-JTQLQIEISA-N 276.340 0.853 0 50 CCAA O=C(c1ccc(CN2CCCC2)o1)N1CC(O)C1 828636856 JLUNULDNVRQZOF-UHFFFAOYSA-N 250.298 0.692 0 50 CCAA Cc1[nH]nc(CCC(=O)N(C)Cc2nncn2C)c1C 584894925 NJVKMVNRISNULT-UHFFFAOYSA-N 276.344 0.746 0 50 CCAA C[C@@H]1CCCCN1C1CN(C(=O)NCCn2cncn2)C1 584894535 CYXIGHHPIBCAPW-GFCCVEGCSA-N 292.387 0.546 0 50 CCAA Nc1nc(C(=O)NCCCN2CCC[C@@H](O)C2)cs1 584893249 HOTMYDBOOOHPPR-SECBINFHSA-N 284.385 0.302 0 50 CCAA COc1cccc2c1OC[C@@H](NC(=O)c1n[nH]c(O)n1)C2 670445166 WPJFCCXOBJAQAK-QMMMGPOBSA-N 290.279 0.252 0 50 CCAA COC(C)(C)c1nsc(N2CCN(C(N)=O)CC2)n1 1548451642 QITPSBZXAFPOFV-UHFFFAOYSA-N 285.373 0.620 0 50 CCAA C[C@H](O)CC(C)(C)CNC(=O)c1cccc(=O)n1C 270417913 MPTLOOBHVULRGD-JTQLQIEISA-N 266.341 0.912 0 50 CCAA Cc1nc(CC(=O)N2CCCc3c(cnn3C)C2)n[nH]1 952892164 CHZJKSYZCSKWNW-UHFFFAOYSA-N 274.328 0.364 0 50 CCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)CC1CC1)C2 952851215 WQPMXOKMRJDJMG-MFKMUULPSA-N 252.314 0.137 0 50 CCAA CCc1cc(N2C[C@H](CO)C[C@H]2CO)nc(CC)n1 1875289390 NYFSZLIERNYCCG-PWSUYJOCSA-N 265.357 0.781 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CC[C@@H](CC(N)=O)C2)CC1 1875365534 UGHOWGSKSWRECE-NSHDSACASA-N 293.367 0.135 0 50 CCAA COc1cccc(OC2CN(C(=O)[C@@H]3C=CCN3)C2)c1 952971654 OSFXSVYQXXCNFB-AWEZNQCLSA-N 274.320 0.813 0 50 CCAA Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c1C 887015666 ARFAIMHPRJJTEZ-GHMZBOCLSA-N 279.340 0.686 0 50 CCAA NS(=O)(=O)C[C@@H]1CC[C@H](Nc2ncc(Cl)cn2)C1 1775286406 DTKHZANXGIONOZ-APPZFPTMSA-N 290.776 0.999 0 50 CCAA N[C@@H]1CC12CC(NS(=O)(=O)c1ccnn1C1CCC1)C2 1775961278 MSHLBASRCSLHKO-DMLGSKKGSA-N 296.396 0.766 0 50 CCAA CN1C(=O)CC[C@@H]1C(=O)NCc1nc2cc(F)ccc2[nH]1 187369774 CJUJZSCVKOSXCV-LLVKDONJSA-N 290.298 0.939 0 50 CCAA N[C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)N2CCOCC2)C1 652383460 VJWUNPAJMHJHNF-MCIONIFRSA-N 297.399 0.799 0 50 CCAA Cn1cc(CCN2CCC(c3nc[nH]n3)CC2)cn1 751500357 YHWGHHZFMKVTOD-UHFFFAOYSA-N 260.345 0.960 0 50 CCAA CCC[C@@]1(CO)CCN(C(=O)c2ccc3nnnn3c2)C1 570573392 LUTJUQOZODCLMI-CQSZACIVSA-N 289.339 0.749 0 50 CCAA CN1CCN(C(=O)c2cccc(O)c2)C[C@@H]1C(=O)O 67605846 BFMHVCBRMZFTRP-LLVKDONJSA-N 264.281 0.233 0 50 CCAA Cn1nncc1CC(=O)N1CCC[C@@H](N2CCCC2)CC1 668987406 JEFNMZMJBUWFNB-CYBMUJFWSA-N 291.399 0.835 0 50 CCAA O=C(c1ccc2c(c1)COB2O)N1CCC[C@H]1c1cn[nH]c1 584997165 WTJCYRJBHIKZPN-AWEZNQCLSA-N 297.123 0.605 0 50 CCAA CN(C)C(=O)NCC(=O)N(CCO)Cc1ccc(F)cc1 1506410812 XRQJRDFDLIKGOZ-UHFFFAOYSA-N 297.330 0.418 0 50 CCAA CC(C)CN1CCN(C(=O)C2(CO)CC2)[C@H](C)C1=O 1506412428 YHCCNEPXYJYAQJ-LLVKDONJSA-N 268.357 0.474 0 50 CCAA C[C@@H]1c2cccn2CCN1C(=O)c1cnc2nc[nH]n2c1=O 1506408868 MYMBLONLTJJPFN-SECBINFHSA-N 298.306 0.436 0 50 CCAA CN(CCCCN1CCOCC1)c1ccc(C(=O)O)nn1 1506416023 GJZKKFBEQADBBF-UHFFFAOYSA-N 294.355 0.723 0 50 CCAA CO[C@H](C)c1nnc(NC(=O)CCn2cnnc2)s1 1529198593 DUTRFAUDEFSMAU-SSDOTTSWSA-N 282.329 0.866 0 50 CCAA Cc1cncc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)c1 1704351729 JXWIOAKRHNTJLN-UKRRQHHQSA-N 298.346 0.856 0 50 CCAA CN(C)S(=O)(=O)c1cnn(Cc2ccon2)c1 332654672 MIJQVQJKWYWWQT-UHFFFAOYSA-N 256.287 0.170 0 50 CCAA CN(CC(=O)O)S(=O)(=O)c1cccc2c1OCC2 263059573 FHQWRUWWDNXULV-UHFFFAOYSA-N 271.294 0.327 0 50 CCAA COCCN1CC[C@H](C(=O)N2CCC(C3(O)CC3)CC2)C1 1772812977 UFCPSBGJTFCASW-ZDUSSCGKSA-N 296.411 0.718 0 50 CCAA CC(=O)c1cnc(N[C@@H]2CN[C@H](C(=O)O)C2)nc1C 1772701638 ASLQFMPIXJQBSQ-WPRPVWTQSA-N 264.285 0.215 0 50 CCAA Cc1ccsc1CN1CCN2C(=O)[C@@H](C)NC(=O)[C@H]2C1 14532309 PEUNNTJRFAMENM-GHMZBOCLSA-N 293.392 0.588 0 50 CCAA O=C(NC(=S)NCCN1CCOCC1)c1cccs1 19884893 AEVYEUYVTOVEJO-UHFFFAOYSA-N 299.421 0.685 0 50 CCAA O=C([C@@H]1CCc2ncnn2C1)N1C[C@H]2[C@H]3CC[C@H](N3)[C@H]2C1 1857732590 XGHWSAURBXTELW-LBELIVKGSA-N 287.367 0.049 0 50 CCAA Cc1cc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)n[nH]1 659201401 ZNTUEFGETBYZGQ-UHFFFAOYSA-N 277.284 0.987 0 50 CCAA C[C@]1(O)CCN(C(=O)C(=O)Nc2cccc(F)c2F)C1 267417572 LUOPHCNQYUIVRZ-ZDUSSCGKSA-N 284.262 0.887 0 50 CCAA NC(=O)C1(CN[C@H]2CCOC23CCCC3)CCOCC1 903067949 YSCRGIKNEMFMSU-LBPRGKRZSA-N 282.384 0.960 0 50 CCAA O=C(NCc1ccc(O)nn1)c1cn2c(n1)CCCC2 820948424 WCZMPZSSJSHMFM-UHFFFAOYSA-N 273.296 0.645 0 50 CCAA CN1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 108109 WDFUNNRBGUMYAZ-UHFFFAOYSA-N 262.309 0.845 0 50 CCAA CCc1cc(CN2CCN([C@H]3CCNC3)CC2)on1 252508693 XQZDBQOTMHFFPJ-ZDUSSCGKSA-N 264.373 0.717 0 50 CCAA CCC[C@H](CNC(=O)c1ccc2nncn2c1)C(=O)O 263135935 HUVGOSHRQOBPAG-SECBINFHSA-N 276.296 0.960 0 50 CCAA CN(C)c1nccc(N(C)CC2(O)CCOCC2)n1 162152007 WTBNZUXCAYQENV-UHFFFAOYSA-N 266.345 0.520 0 50 CCAA NC[C@H]1CCN(Cc2nc(C(F)(F)F)no2)C1 534648619 JIKGLVFYEFBOSZ-ZCFIWIBFSA-N 250.224 0.869 0 50 CCAA CC(=O)N[C@@H]1CCN(c2nc(C(C)(C)C)nc(=N)[nH]2)C1 383597659 UETXMPSQXFGRSJ-SECBINFHSA-N 278.360 0.296 0 50 CCAA COc1cccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)c1 18250395 PBOIFPIVRCGHGT-ZDUSSCGKSA-N 290.319 0.659 0 50 CCAA COC(=O)CC[C@@H]1O[C@H](c2ccccc2)[C@@H](O)[C@@H]1O 15262975 RUDVTXZKYPJLFH-AHLTXXRQSA-N 266.293 0.802 0 50 CCAA in-vitro O=C(N[C@H]1CCNC2(CCC2)C1)c1cc[nH]c(=O)c1 236412961 VZNJSBCADXFDFG-NSHDSACASA-N 261.325 0.779 0 50 CCAA CC1(C)O[C@@H]2C(=O)O[C@@H]([C@H]3COC(C)(C)O3)[C@@H]2O1 2387158 OFZPAXSEAVOAKB-XGEHTFHBSA-N 258.270 0.583 0 50 CCAA CCn1ncc(C(=O)NC)c1NC(=O)Cc1cc(C)no1 2356170768 DYWHRXSSIGKKTE-UHFFFAOYSA-N 291.311 0.740 0 50 CCAA CCc1ncc2c(n1)CN(C(=O)CNC(=O)C(C)C)C2 67491055 SXQYTMGLZYWRGI-UHFFFAOYSA-N 276.340 0.653 0 50 CCAA NC(=O)c1cnc2n1CCN(C(=O)[C@H]1CC=CCC1)C2 65534979 SZXOMTAZZPRRQV-JTQLQIEISA-N 274.324 0.681 0 50 CCAA CCO[C@H](C)C(=O)N1CCO[C@@H](CN(C)CC(=N)O)C1 328634397 MTQLXHRXKNUSJV-MNOVXSKESA-N 287.360 0.106 0 50 CCAA COC[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C1CC1 151940129 ADOXGGKSUGCFNP-ZDUSSCGKSA-N 287.323 0.817 0 50 CCAA O=C(C[C@@H]1CNCCO1)NCc1cnn2ccccc12 72128970 JYJMCXRZMDYEPC-GFCCVEGCSA-N 274.324 0.329 0 50 CCAA CC(C)[C@@H](O)C(=O)NCCc1nc(C2CC2)no1 217021847 AHHVKWLXFYDQAJ-SNVBAGLBSA-N 253.302 0.623 0 50 CCAA O=C1CN(C(=O)C(=O)N2CCC[C@H]2C2CCCC2)CCN1 334542594 WZSQSUPVPRKMGC-LBPRGKRZSA-N 293.367 0.126 0 50 CCAA C[C@@H](CC(=O)NCCCC(=O)O)[C@H]1CCCNC1 157037865 LDOZPIRNCLBDCF-QWRGUYRKSA-N 256.346 0.993 0 50 CCAA COC(=O)[C@H]1C[C@H](N)CCN1C(=O)OC(C)(C)C 39941363 PVCVXOYIRODFJD-RKDXNWHRSA-N 258.318 0.886 0 50 CCAA COC(=O)N[C@@H](C)C(=O)N(C)CCc1c(C)n[nH]c1C 219299733 GHQDGJDZFYAYLD-JTQLQIEISA-N 282.344 0.772 0 50 CCAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)[C@H](C)O)C2 71736395 XSIRJMYULARWMA-JTQLQIEISA-N 290.367 0.651 0 50 CCAA O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1c[nH]c(=O)[nH]c1=O 77485762 WRLINYLZQHHNOH-NRPADANISA-N 263.297 0.372 0 50 CCAA CCN1CCC[C@@H]1CNS(=O)(=O)CC[C@H]1CCCO1 240540896 GQAWOHNOYCVNMA-CHWSQXEVSA-N 290.429 0.959 0 50 CCAA C[C@@H](C(=O)NCCc1nc(O)n[nH]1)n1cc(Cl)cn1 426534517 VIYTXSVBGGNDTB-LURJTMIESA-N 284.707 0.280 0 50 CCAA Cc1cc(C(=O)NCCc2nc(N)cc(O)n2)c(C)n1C 220484904 RVKMSVFUWQSXMZ-UHFFFAOYSA-N 289.339 0.692 0 50 CCAA C[C@@H](CCC(=O)NCCc1cnn[nH]1)N1CCCC1 426431067 KYCHLFDJJHJVOQ-NSHDSACASA-N 265.361 0.728 0 50 CCAA CCO[C@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@@H]1O 220287099 ADRBHVVNILLKGT-FZMZJTMJSA-N 293.319 0.680 0 50 CCAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn[nH]n1 47610215 JMZIFGBKIFLPCQ-UHFFFAOYSA-N 284.279 0.313 0 50 CCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cnccn2)on1 96165884 XULBMOXJSDKFRT-MFKMUULPSA-N 288.307 0.761 0 50 CCAA Cc1ccsc1C(=O)N[C@H]1C[C@@H](C(=O)O)N(C)C1 426421705 BCQWVSYNNXOVMA-IUCAKERBSA-N 268.338 0.944 0 50 CCAA CCc1nnc(N2CCN(CCCOC)CC2)o1 95368553 DXMAFHCLUBMVMW-UHFFFAOYSA-N 254.334 0.791 0 50 CCAA CN1CCO[C@H](C(=O)N2C[C@H]3CCCC[C@@H]3C2)C1 246346775 LWXFDEWHKCWISR-UPJWGTAASA-N 252.358 0.966 0 50 CCAA Cc1ccn(CCN2C[C@H](O)[C@@H](N3CCCCC3)C2)n1 240971673 UAWBGQUMEPBFEL-GJZGRUSLSA-N 278.400 0.723 0 50 CCAA CCN(CCn1cc[nH]c1=O)C[C@H](O)c1cccc(O)c1 244748503 OIXPGGWGOVWJRY-AWEZNQCLSA-N 291.351 0.938 0 50 CCAA COc1cncc(CN2C[C@@H](N3CCOCC3)C[C@H]2C)n1 625422995 BICGMILOPYDFLE-OCCSQVGLSA-N 292.383 0.780 0 50 CCAA CC[C@@H]1CCCN(C(=O)NCc2nnn(C)n2)CC1 253433288 VFIFHVGRHDPXIF-SNVBAGLBSA-N 266.349 0.932 0 50 CCAA C[C@@H]1CCC[C@@H](OCC(=O)N2CCOC[C@H]2C(=O)O)C1 299749260 JSINQIABTHJPHF-UTUOFQBUSA-N 285.340 0.894 0 50 CCAA O=C(C1CCNCC1)N1CCN(CC2CC2)[C@@H](CCO)C1 534652421 SHKKYUVMQYJMLA-HNNXBMFYSA-N 295.427 0.291 0 50 CCAA CCN1CCN(CC(=O)N[C@@H](CO)c2ccccc2)CC1 351651358 QKQKEVAGBPBBOJ-HNNXBMFYSA-N 291.395 0.474 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)NCc1cccnc1N 534644241 VMPGZZMWYQJLSI-UHFFFAOYSA-N 261.285 0.260 0 50 CCAA CC(C)CNC(=O)[C@H](C)N1CCN(c2nc[nH]n2)CC1 299772420 WWRAZGPRERTGQO-NSHDSACASA-N 280.376 0.087 0 50 CCAA CSCC[C@@H]1NC(=O)[C@@H](c2ccc(O)cc2)NC1=O 824912920 JENLGFRMDITHIB-WDEREUQCSA-N 280.349 0.801 0 50 CCAA CS(=O)(=O)CCNC(=O)c1ccccc1-n1cncn1 670441987 HPFWQEWJMLWGCF-UHFFFAOYSA-N 294.336 0.042 0 50 CCAA CO[C@H]1CN(Cc2cc(C(C)(C)C)n[nH]2)C[C@@H]1O 670456065 GKYIRRAABHFWFD-QWRGUYRKSA-N 253.346 0.899 0 50 CCAA CCS(=O)(=O)[C@H](C)C(=O)NCCc1c(C)n[nH]c1C 670459169 VPCPGIGHLBTBSV-SNVBAGLBSA-N 287.385 0.508 0 50 CCAA C[C@@H]1CC(C(=O)O)C[C@@H](C)N1C(=O)c1cnn(C)n1 1875277754 CLVSWIZYKFWWMZ-HTQZYQBOSA-N 266.301 0.529 0 50 CCAA CN=c1nc(C(=O)NC[C@@H](C)c2ncc[nH]2)cc(C)[nH]1 1875296238 LSFMHDGVXZCTDK-MRVPVSSYSA-N 274.328 0.505 0 50 CCAA O=C1CCN(C(=O)N[C@H]2C[C@@H](C(=O)O)[C@@H]3C[C@H]23)CC1 1875294542 IKFIWGVCTBQHGV-YTWAJWBKSA-N 266.297 0.470 0 50 CCAA CCNS(=O)(=O)c1cc(NCCOC)ccn1 1875298547 DXTVNEBDPQYYNV-UHFFFAOYSA-N 259.331 0.438 0 50 CCAA N[C@H](CNC(=O)NC[C@@H]1CNCCCO1)c1ccccc1 1875349474 YKJAMLOPVVPULO-UONOGXRCSA-N 292.383 0.364 0 50 CCAA O=C1C[C@H](C(=O)NC2(c3ccccc3F)COC2)CCN1 886640771 LPBLTZYKYWTTHV-SNVBAGLBSA-N 292.310 0.694 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(C2CCOCC2)C1 886096971 QEDLFVITIFABGU-CQSZACIVSA-N 270.373 0.471 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)CC(=O)O 36981370 PCXQADQHVBCCDE-MRVPVSSYSA-N 267.329 0.949 0 50 CCAA C[C@H]1CN(Cc2cn(C3COC3)nn2)C[C@@H](C)O1 1333892875 NUGBYQPQUWOOFC-AOOOYVTPSA-N 252.318 0.459 0 50 CCAA O=C(CN1CCCCCCC1)N[C@H]1CCNC[C@@H]1O 1565511849 OOLIWCKAHNWKRN-STQMWFEESA-N 269.389 0.092 0 50 CCAA CCCc1nc([C@H]2CN([C@H](C(=O)O)C3CC3)CCO2)n[nH]1 635016960 QANFIBBVYYQPQJ-PWSUYJOCSA-N 294.355 0.994 0 50 CCAA O=C(CCCc1nn[nH]n1)N1CC[C@H](N2CCCC2)C1 635479185 GGTSFLYKQBIIQP-NSHDSACASA-N 278.360 0.219 0 50 CCAA CCN(CC)[C@H]1CCN(C(=O)[C@@]2(C)CCN(C)C2=O)C1 635627574 RXCHMRQGJKDEIC-WFASDCNBSA-N 281.400 0.798 0 50 CCAA CC[C@@H](C(=O)N1CC(O)(CC)C1)N1CCCC1=O 407996325 LTOSQXKKBVMGGX-JTQLQIEISA-N 254.330 0.371 0 50 CCAA Cc1nc(C(=O)NCCN2CCCC[C@H]2C)n(C)n1 225394873 WIIRMGLQTGMPQR-SNVBAGLBSA-N 265.361 0.728 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1ccc(OC)nc1 643764472 YSJROCDYQRVXGF-CQSZACIVSA-N 279.340 0.557 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(CCc2cn[nH]c2)C1 643811896 CKCJWGDSHUYMAD-AWEZNQCLSA-N 280.372 0.257 0 50 CCAA NC(=O)c1ccc(C(=O)N2C[C@H]3C[C@@H](O)C[C@H]2C3)cc1 710148661 OZIOYGAPQFKMIU-OASPWFOLSA-N 274.320 0.771 0 50 CCAA C[C@@](NC(=O)c1nccnc1N)(C(=O)O)c1ccccc1 678977202 OZTBBRYQARMAAC-AWEZNQCLSA-N 286.291 0.789 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2O)on1 1704301306 UGIMUHNAEAVHAG-SKDRFNHKSA-N 276.296 0.382 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1nnc(C(C)C)o1 643825247 LXZVGMPHPHVAJW-CYBMUJFWSA-N 282.344 0.659 0 50 CCAA Cn1cncc1C(=O)N(CC(=O)O)CC(C)(C)C 659783023 JLKCXMBCAHTDQI-UHFFFAOYSA-N 253.302 0.993 0 50 CCAA CC(=O)NCCC(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1616081405 BOAHQVCZNKQGEN-KBPBESRZSA-N 291.351 0.282 0 50 CCAA CCn1c(C)nnc1CN1CCOC[C@@H]1CCOC 365834444 ANMXZRMWFDKVGZ-LBPRGKRZSA-N 268.361 0.844 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)[C@H]2CCO[C@@H]2C(C)C)C1 375699756 XCAFOVFYTQCLSB-QNWHQSFQSA-N 271.357 0.656 0 50 CCAA C[C@@H]1CC[C@H](CCC(=O)N2CCO[C@@H](C(=O)O)C2)O1 263066434 YXXYTBWJIZWYNL-GMTAPVOTSA-N 271.313 0.646 0 50 CCAA O=C([C@H](O)c1ccccc1F)N(CCO)Cc1ncc[nH]1 1772700705 GPXKQIAKBRKZNK-CYBMUJFWSA-N 293.298 0.603 0 50 CCAA Cc1nc2c([nH]1)CN(C[C@@H]1CCC(=O)N(C)C1)CC2 1775981562 ASLFOBALIZNMNV-LLVKDONJSA-N 262.357 0.945 0 50 CCAA CC1(C)N=C(N)N=C(Nc2ccc(C(=O)O)cc2)N1 19328583 LBMABLLGLVHDMN-UHFFFAOYSA-N 261.285 0.807 0 50 CCAA CCCc1nnc(NC(=O)CN2CCOCC2)s1 19525829 QHGQNVROJRSFMO-UHFFFAOYSA-N 270.358 0.761 0 50 CCAA Cn1nc(C(=O)O)nc1N1CCO[C@@H](c2ccccn2)C1 1857676655 KQINZVSSZPTRFO-SNVBAGLBSA-N 289.295 0.486 0 50 CCAA O=C(CCCn1cncn1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857712433 YYWWSWVGANVSMB-FRRDWIJNSA-N 294.355 0.057 0 50 CCAA C[C@@H]1CN2C[C@H](NC(=O)c3ccc(O)nc3)C[C@H]2CO1 1857723123 UNMZTVZKRBXNLE-JLLWLGSASA-N 277.324 0.379 0 50 CCAA Cc1noc(C)c1CN1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857728938 GPJZFMVBFVHMFV-OCCSQVGLSA-N 277.324 0.825 0 50 CCAA CCCn1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4250952 VUWSIMFLMJRYQF-UHFFFAOYSA-N 275.312 0.405 0 50 CCAA Cc1ncc(CNC(=O)[C@@H]2COCCN2CC(F)F)o1 622692225 VYNVJCSVUJBVKZ-JTQLQIEISA-N 289.282 0.565 0 50 CCAA OC[C@H](O)C1CCN(c2ncc(Cl)cn2)CC1 1772805415 NUGUKWXHNYORLR-JTQLQIEISA-N 257.721 0.700 0 50 CCAA CC(C)CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 16575254 DAXIVGNLXAYAIT-SNVBAGLBSA-N 262.375 0.430 0 50 CCAA O=C(CSc1nc(O)cc(=O)[nH]1)NCc1ccco1 3464526 QKLJUCJJMIPZBC-UHFFFAOYSA-N 281.293 0.477 0 50 CCAA COCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 11566225 DRMIFYFWFJYBAX-UHFFFAOYSA-N 283.305 0.718 0 50 CCAA Cn1cc(C(=O)N(CC(=O)O)C2CC2)ccc1=O 237756043 ALJHRUWQCWNPPQ-UHFFFAOYSA-N 250.254 0.075 0 50 CCAA COCC(COC)NC(=O)N1C[C@@H](C)C[C@H](C(=O)O)C1 263104790 BGAAYPLCPNQUHX-UWVGGRQHSA-N 288.344 0.400 0 50 CCAA CCn1cnnc1CSc1nnc(CCN)n1C 426677814 CHIYPCRPXBXNHC-UHFFFAOYSA-N 267.362 0.220 0 50 CCAA COC(=O)c1cc(=N)[nH]c(N2CC(Nc3ccccc3)C2)n1 2325800625 YGBVNUOMYAQBJA-UHFFFAOYSA-N 299.334 0.976 0 50 CCAA C[C@@H]1CC[C@H](NC(=O)C(=O)C2CCCC2)C(=O)N1 2325811423 YINZIJWFJSHGRO-SCZZXKLOSA-N 252.314 0.529 0 50 CCAA COc1ccccc1C(=O)N1CCN(S(C)(=O)=O)CC1 115595 NSDIVQFDQOECKJ-UHFFFAOYSA-N 298.364 0.413 0 50 CCAA CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 219540 ZYWNIUAZNAEDMD-LLVKDONJSA-N 274.386 0.671 0 50 CCAA CC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 615325 WLDRMKNHJPYWFK-UHFFFAOYSA-N 273.339 0.167 0 50 CCAA CN(C(=O)Cc1cccnc1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356154492 XVSFZGADARRIBB-MJBXVCDLSA-N 287.363 0.997 0 50 CCAA CCOC(=O)N(CCCC(=O)OC)CP(=O)(O)O 2904317 BLDYDIKZGZAGJU-UHFFFAOYSA-N 283.217 0.533 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)C[C@@H](C)O1 239174570 QGEBSPUADLHOLP-PAUJSFGCSA-N 283.324 0.500 0 50 CCAA NC(=O)CN1CCC(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 251295275 ODCDTENDQQKACM-AVGNSLFASA-N 293.411 0.879 0 50 CCAA NC(=O)COc1cccc(CN2CCCC[C@H]2CO)c1 63994386 SZGLYAUVNXXMRW-ZDUSSCGKSA-N 278.352 0.898 0 50 CCAA N=C(O)CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccc(F)cn1 328603317 FPJONCUEOCJKHL-UWVGGRQHSA-N 298.293 0.898 0 50 CCAA COc1ccc(NC(=O)CS(=O)(=O)CC(=O)O)cc1 169445 KFJPRKRTTBVZRR-UHFFFAOYSA-N 287.293 0.133 0 50 CCAA CO[C@H]1C[C@@H](C(=N)O)N(CC(=O)N(C)C2CC2)C1 331836912 FPCMVKVUMUGYOW-UWVGGRQHSA-N 255.318 0.232 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)c1ccnc(C(=O)O)c1 124616818 YWIINIJZHDQLOS-NSHDSACASA-N 291.307 0.521 0 50 CCAA COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)O 368401030 BGPIAMUKGJWSRM-VIFPVBQESA-N 251.238 0.720 0 50 CCAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)C(N)=O)cc1 71752615 BCQZOKHZQVDVBK-ZDUSSCGKSA-N 275.352 0.897 0 50 CCAA CCn1ncnc1CN1CCCN(c2ncccn2)CC1 216398311 WJJLJKSPLKOVJH-UHFFFAOYSA-N 287.371 0.800 0 50 CCAA Cc1ccc(NCCCN2CCC[C@H](C(N)=O)C2)nn1 32540635 KQWKBQRQVRCRKT-LBPRGKRZSA-N 277.372 0.784 0 50 CCAA Cc1cc(C(=O)N2CC[C@](O)(CN(C)C)C2)cc(C)n1 215461379 LSBGORGHSDJGJD-HNNXBMFYSA-N 277.368 0.837 0 50 CCAA O=C(CCn1cc(Cl)cn1)N1CCOC[C@H](O)C1 77380070 QWRAQCAXXMHPHS-SNVBAGLBSA-N 273.720 0.146 0 50 CCAA CCOc1cncc(N2CCO[C@H](c3nc(C)n[nH]3)C2)n1 131888557 OVMNMUWLKIOWBK-JTQLQIEISA-N 290.327 0.880 0 50 CCAA CN(C)c1ccc(CC(=O)N2CCOC[C@H](O)C2)cc1 77458412 BGTYBDVCLUZUJL-CQSZACIVSA-N 278.352 0.515 0 50 CCAA Cc1nccn1[C@H](C)C(=O)NC1(C(N)=O)CCCC1 426642886 LPYHGSWNPZETTL-SECBINFHSA-N 264.329 0.667 0 50 CCAA Cc1ccc(CNC(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)o1 426507866 LMXRJXGBYSMFLD-XCCSTKFXSA-N 294.351 0.861 0 50 CCAA CCNC(=O)[C@@H]1CCN(Cc2cn[nH]c2C(=O)O)C1 97654078 VKUYNDSSMCXKPQ-MRVPVSSYSA-N 266.301 0.066 0 50 CCAA CCOC[C@@H](O)CNc1nc(N)nc(CC)c1C 92078292 RHAIJTLBCDHJIB-VIFPVBQESA-N 254.334 0.739 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H]2CNC[C@@]2(C(=O)O)C1 238111563 ZSVSNUDKCSHAQF-NOZJJQNGSA-N 270.329 0.918 0 50 CCAA O=C(NCCN1CCCc2ccccc21)[C@H]1COCCO1 97515185 CWOLFJAGISMUOE-OAHLLOKOSA-N 290.363 0.971 0 50 CCAA Cc1nn(C)c2nc(N[C@H]3CCN(C)C3=O)sc12 95501480 CBBYBXPDVJFAJT-ZETCQYMHSA-N 265.342 0.981 0 50 CCAA Cc1c[nH]c(CN(C)CC(=O)NC[C@@H]2CCCO2)n1 244695641 JPSNAXPOCPXJDH-NSHDSACASA-N 266.345 0.445 0 50 CCAA CCN(c1ncc(Br)cn1)[C@@H]1CCNC1=O 253419505 YVUWTPXURLPQSO-MRVPVSSYSA-N 285.145 0.954 0 50 CCAA COCC1(CNC(=O)CN2CC[C@H](N(C)C)C2)CCCC1 534640848 XNKSCNSWBBTGKL-AWEZNQCLSA-N 297.443 0.945 0 50 CCAA C[C@H](CC(=O)NCc1cccc(CO)c1)N1CCOCC1 534651825 KTBIAPBHKVHOAL-CYBMUJFWSA-N 292.379 0.906 0 50 CCAA CS(=O)(=O)CCNC(=O)[C@@H](O)c1ccc(F)cc1 828598419 OUEQZNZFHUBRTK-JTQLQIEISA-N 275.301 0.020 0 50 CCAA O=C1NC2(CC2)C(=O)N[C@H]1COCc1ccccc1 828301586 WWTAOYCUBPXJSS-NSHDSACASA-N 260.293 0.350 0 50 CCAA CC(C)N1CCC[C@H]1C(=O)NCCc1nc(N)cc(O)n1 584884045 RHXYGKSTTZTTIA-JTQLQIEISA-N 293.371 0.296 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)COCc1ccccc1 37450031 PWFYPGWEMPQJOX-NEPJUHHUSA-N 279.292 0.250 0 50 CCAA Cc1csc2c(=O)n([C@@H]3CNC[C@H]3O)cnc12 670456422 VHECWPXRIBUGQG-HTQZYQBOSA-N 251.311 0.272 0 50 CCAA C=CC(=O)NC[C@]1(CO)COCCN1Cc1ccccc1 1875375120 RMMQTAUHSMZWOU-INIZCTEOSA-N 290.363 0.552 0 50 CCAA CC1(C)CC[C@H](CO)N(CC2(O)CC(c3nn[nH]n3)C2)C1 1875329758 HXKMTNZNITXZAW-IQLKVPPVSA-N 295.387 0.291 0 50 CCAA C=CC(=O)N1CCC(C(=O)N(C)[C@H](C)COC)CC1 1875367048 QXEMRQYMJQAPDO-LLVKDONJSA-N 268.357 0.904 0 50 CCAA CN(Cc1cnn(C)c1C1CC1)[C@@]1(CO)CCOC1 895539201 UIBHQKKWYMWPEO-CQSZACIVSA-N 265.357 0.881 0 50 CCAA Cc1nnc(N2CCN(CC(F)(F)CO)CC2)nc1C 895095857 ORBLSFGAKITGSX-UHFFFAOYSA-N 287.314 0.238 0 50 CCAA CCOCCN1CCN([C@H]2CCOC2=O)C[C@H]1C 247058297 FTFZIBPSBUTFNC-NEPJUHHUSA-N 256.346 0.345 0 50 CCAA CC(C)[C@H](N)C(=O)N1CCC[C@@H](Cn2cncn2)C1 168574685 PLSPERTUPZHVTI-NEPJUHHUSA-N 265.361 0.500 0 50 CCAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2nc[nH]n2)cn1 275325912 FDIIJLKIFFXCQR-VHSXEESVSA-N 276.300 0.188 0 50 CCAA Cn1ccc(CN2CCN(c3cncc4ncnn34)CC2)c1 275779203 RSZVHFLOJJHJMD-UHFFFAOYSA-N 297.366 0.785 0 50 CCAA CCOC(=O)CN1CCN(C(=O)N(C)C)CC1(C)C 408020350 HFYYVRXZSWQJBA-UHFFFAOYSA-N 271.361 0.627 0 50 CCAA CCNC(=O)c1ccc(N2CCCO[C@H](C)C2)nn1 413122419 ZQTPVCQOOHPMFS-SNVBAGLBSA-N 264.329 0.842 0 50 CCAA CCn1ccc(CC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)n1 653289353 PXJCASOBSSNGDJ-SRVKXCTJSA-N 277.324 0.910 0 50 CCAA C[C@H](NC(=O)N=c1nc[nH]n1C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653541631 WAZQKAKGXGUCTJ-XHNCKOQMSA-N 295.343 0.494 0 50 CCAA Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)CN)cs1 566974177 WZNXETXJAKYVBR-ONGXEEELSA-N 286.376 0.439 0 50 CCAA CCc1cc(CNC(=O)[C@@H]2CCc3nnnn3CC2)on1 577380493 ZPVIJMPSXJTUSR-SECBINFHSA-N 290.327 0.492 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCCCn2ccnc2)CC[C@@H]1O 1704307212 VWVMQEQIVINBCX-FRRDWIJNSA-N 281.356 0.565 0 50 CCAA CC[C@H]1COCCN1CCNC(=O)/C=C/CN(C)C 1875376871 LNOSWYJHDZGSIU-GFUIURDCSA-N 269.389 0.331 0 50 CCAA CN(CCCCN1CCOCC1)CC[C@@H]1COCCO1 1775981366 RGZAWDHFGNHHLX-OAHLLOKOSA-N 286.416 0.836 0 50 CCAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(CC3CC3)CCN2C1=O 14743796 ORNGDIWSWMVQTB-UHTWSYAYSA-N 279.384 0.454 0 50 CCAA CC1=[N+]([O-])[C@@H](N2CCOCC2)[C@](O)(c2ccccc2)C1 19324494 FEGKNQQSTLDZBN-HUUCEWRRSA-N 276.336 0.907 0 50 CCAA COc1ccc(CN2CCN(CCOCCO)CC2)cc1 19606966 UKQUXIWDAXTJSP-UHFFFAOYSA-N 294.395 0.822 0 50 CCAA O=C(CNC[C@@H]1CCCO1)N(C[C@@H]1CCCN1)C1CC1 328634701 MYBZYJFHRMQNGS-JSGCOSHPSA-N 281.400 0.498 0 50 CCAA C[C@@H]1[C@@H](CO)CCCN1c1cc(N2CCOCC2)ncn1 665753600 PQHRMRRJTLWGDS-CHWSQXEVSA-N 292.383 0.910 0 50 CCAA CN1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 19790682 YPORIHHIIUWXLW-GFCCVEGCSA-N 294.351 0.402 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)c1cnn(C)c1 266194269 NLRDYDYPCQEQMD-QMMMGPOBSA-N 297.384 0.810 0 50 CCAA CCn1ccc(CN2C[C@H]3COC[C@@H]2CN(C)C3)n1 1704311344 FYMKMKIPTCZIJQ-JSGCOSHPSA-N 264.373 0.665 0 50 CCAA CCc1noc(COCC(=O)N2C[C@@H](O)CC[C@@H]2C)n1 823114511 WUWMDEDKJMZRNE-UWVGGRQHSA-N 283.328 0.520 0 50 CCAA CN1C[C@H](OC(=O)c2ncccc2F)CCC1=O 1122976953 JVSXDYPVLUBFDU-MRVPVSSYSA-N 252.245 0.998 0 50 CCAA CC(C)c1cc(N2CCN(C)[C@@H](CO)C2)ncn1 108049049 URGAIOCFAOFQHP-LLVKDONJSA-N 250.346 0.713 0 50 CCAA CCNc1ncc(C(=O)NCc2cnc(C)cn2)cn1 91254648 RVXBWXCRHFPDPH-UHFFFAOYSA-N 272.312 0.937 0 50 CCAA O=C(c1ccc2c(c1)OCO2)N1C[C@@H](O)[C@H](F)C1 952991133 YLUSTFDPCKETJM-RKDXNWHRSA-N 253.229 0.570 0 50 CCAA O=S(=O)(NC1(c2ccccc2)CC1)N1C[C@@H]2C[C@H]1CN2 2325774230 SBYBDVXBBXCKQA-STQMWFEESA-N 293.392 0.556 0 50 CCAA O=C1NCc2cccc(C(=O)N3CC[C@@]4(CCNC4)C3)c21 2325887711 BQTZATPDIQJJCH-MRXNPFEDSA-N 285.347 0.756 0 50 CCAA O=C1c2ccccc2C(=O)N1CCc1nc(CO)n[nH]1 188756 FFJQOKVBKIVAHW-UHFFFAOYSA-N 272.264 0.136 0 50 CCAA O=S1(=O)CC[C@@H](NS(=O)(=O)c2ccccc2)C1 3865841 XTMOTIGEBLVQPG-SECBINFHSA-N 275.351 0.152 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CCN1Cc1cnn(C(C)C)c1 65383796 IOAPKWCEHLCMMV-QWHCGFSZSA-N 281.356 0.962 0 50 CCAA Cc1noc(C)c1NC(=O)N[C@H]1C[C@H]2CN(C)CCN2C1 67854803 KRTQWQIRHYLNDV-RYUDHWBXSA-N 293.371 0.801 0 50 CCAA COc1ccnc(N2CCC[C@](O)(Cn3ccnn3)C2)n1 284424521 FDSHSNMLLFRSBR-CYBMUJFWSA-N 290.327 0.108 0 50 CCAA COCCN1CN(C(=O)c2cncs2)CC1=O 282564306 YWLJGEPBPWNCLX-UHFFFAOYSA-N 255.299 0.031 0 50 CCAA CN1CCN(C(=O)[C@H]2CCCO2)C[C@@H]1c1ncc[nH]1 328621907 IBCBMZDOJMPBTO-GHMZBOCLSA-N 264.329 0.404 0 50 CCAA COCC1(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)CCC1 367354497 RNUBSEMFOFMSSO-GFCCVEGCSA-N 295.383 0.819 0 50 CCAA Cc1cc(S(=O)(=O)NCC(=O)O)cc(C)c1F 261686860 MNEKICCDOPEEBE-UHFFFAOYSA-N 261.274 0.805 0 50 CCAA C[C@H](C(N)=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12 72132031 ORRSXOQHLKBUSR-LLVKDONJSA-N 287.363 0.870 0 50 CCAA Cc1ccc(C(=O)NCC(=O)O)cc1NS(C)(=O)=O 262646666 RCSJRCHAVBEYDG-UHFFFAOYSA-N 286.309 0.181 0 50 CCAA Cc1nccnc1C(=O)N[C@@H]1CCCn2ncnc21 612076132 TXEMRMPZJDJMHN-SECBINFHSA-N 258.285 0.641 0 50 CCAA CSCCCN1CCn2nc([C@@H](O)CO)cc2C1 220159059 STCKJQBCFUDLRA-LBPRGKRZSA-N 271.386 0.478 0 50 CCAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cnc[nH]1 222618581 XJTPQWVUIMOWJF-SNVBAGLBSA-N 272.312 0.599 0 50 CCAA CC1(C)CN(C(=O)CSc2n[nH]c(=O)[nH]2)[C@@H]1C1CC1 291151962 PZOOQCGNDGPZOU-SECBINFHSA-N 282.369 0.837 0 50 CCAA COCc1noc(CNC(=O)[C@@H]2Cc3ccccc3O2)n1 220165024 GRKVQPJZXLRYHX-NSHDSACASA-N 289.291 0.836 0 50 CCAA Nc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cn1 220386114 WRFFPWWNIDOSGH-OLZOCXBDSA-N 291.351 0.978 0 50 CCAA Cn1c(CN2CCO[C@H](C(N)=O)C2)cc2ccccc21 97532656 BLUVRKWEBYVPTP-AWEZNQCLSA-N 273.336 0.864 0 50 CCAA Cc1csc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 181597245 OCQCTVKKJIVPML-JTQLQIEISA-N 289.426 0.917 0 50 CCAA O=C(NCCc1cnccn1)[C@@H]1CC(=O)N(C2CC2)C1 92036918 NOCYISRHKWZBCX-SNVBAGLBSA-N 274.324 0.146 0 50 CCAA CNC(=O)CCN(C)C(=O)N[C@H](C)Cc1cccnc1 426590032 SVYQSWMGMVKGBN-LLVKDONJSA-N 278.356 0.790 0 50 CCAA CCS(=O)(=O)N1CCN(c2ccc(OC)cc2)C(=O)C1 91988495 WZMQWLJOSXGFEB-UHFFFAOYSA-N 298.364 0.694 0 50 CCAA COc1ncccc1NC(=O)CCCn1cnnn1 524735108 VVTONCPFRNBHEY-UHFFFAOYSA-N 262.273 0.496 0 50 CCAA CC(=O)NCCNC(=O)CN[C@@H](C)c1ccc(F)c(F)c1 182203938 JGHMXOFMXXRENJ-VIFPVBQESA-N 299.321 0.868 0 50 CCAA Cc1nn(C)c(C)c1CNS(=O)(=O)N1CCC[C@@H]1C 185033956 GNVZUDVHYUVAGM-VIFPVBQESA-N 286.401 0.856 0 50 CCAA Cc1nc[nH]c1C(=O)NCc1[nH]cc(C)c(=O)c1C 534661924 PIUIWYFTOIQQFQ-UHFFFAOYSA-N 260.297 0.953 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc2ccnn2c1C 534663430 BRCMEPOPFNJHLP-RYUDHWBXSA-N 289.339 0.097 0 50 CCAA C[C@@H]1CN(c2ccc(-c3nccn3C)nn2)CCN1 534649201 KXQSISAIOYPBFT-SNVBAGLBSA-N 258.329 0.675 0 50 CCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1ncc[nH]1)CC2 299775192 IRSUCBWLVXZTEA-GMXVVIOVSA-N 251.330 0.914 0 50 CCAA COCCN1CC[C@H](CN(C)C(=O)c2csnc2N)C1 299802843 RBTILJLQGRMHJF-SNVBAGLBSA-N 298.412 0.766 0 50 CCAA COc1cccc2ncn(CCc3nc(N)n[nH]3)c(=O)c12 584897696 BWKVYBXGMIDXIA-UHFFFAOYSA-N 286.295 0.348 0 50 CCAA CCOC(=O)N1CCC(NCCc2ncnn2C)CC1 584893982 CMLXWEXYOCIICO-UHFFFAOYSA-N 281.360 0.568 0 50 CCAA C[C@H](CS(C)(=O)=O)NCCCn1ccccc1=O 670455825 RQCZZMOKLCIVPY-LLVKDONJSA-N 272.370 0.261 0 50 CCAA COCCO[C@H]1CCN(C(=O)c2ccc(C(=O)O)cn2)C1 630302717 ZYHKZMNVLSOTGW-NSHDSACASA-N 294.307 0.657 0 50 CCAA CC1(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)CCOCC1 1553470038 HNPXPJYXGOWVEA-FZMZJTMJSA-N 267.373 0.936 0 50 CCAA Cc1nnc(CNC(=O)Cc2ccc(C(=O)O)cc2)n1C 1875270789 AUKCYLDXQJMKRV-UHFFFAOYSA-N 288.307 0.681 0 50 CCAA CN1C(=O)[C@H](NC(=O)C2(O)CC2)Cc2ccccc21 1875293801 CSFFZGPZAGTKHO-SNVBAGLBSA-N 260.293 0.215 0 50 CCAA COCCCNS(=O)(=O)c1ccc(N2CCCC2)cn1 1875299033 WKHOQZXAIFYKPL-UHFFFAOYSA-N 299.396 0.997 0 50 CCAA Cc1nc(CN2CCN(C)C(=O)[C@H]2C)n(C)c1C 952982004 KWZVBLWUOIOGDC-LLVKDONJSA-N 250.346 0.699 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cnn2ncccc12 889189817 KQWCVZSHCSAOTB-ZYHUDNBSSA-N 276.296 0.263 0 50 CCAA COCCC(=O)N[C@H]1CCN(Cc2cscn2)C[C@@H]1O 1099607493 NIRUNCIHPCIVDZ-RYUDHWBXSA-N 299.396 0.231 0 50 CCAA CC(F)(F)CNC(=O)c1nc(-c2cnccn2)no1 631424682 ULCQUIUQHJZQAK-UHFFFAOYSA-N 269.211 0.912 0 50 CCAA Cc1noc(C)c1CN1CCOC[C@H]1CC(=O)O 97776015 KBHAGJYVQYTDSS-SNVBAGLBSA-N 254.286 0.967 0 50 CCAA O=C1[C@H](O)CCCCN1Cc1nc(-c2ncccn2)no1 643838730 GSJRBTRZFSHZRA-SECBINFHSA-N 289.295 0.400 0 50 CCAA CN1CCS(=O)(=O)C[C@@H]1CC(=O)N1CCC=C(F)C1 644408783 WELRLXDFYIZTPW-NSHDSACASA-N 290.360 0.191 0 50 CCAA COC[C@H](C)S(=O)(=O)N1CCO[C@H](C2CCC2)C1 574057016 UUJDJUVJOPTKOC-JQWIXIFHSA-N 277.386 0.852 0 50 CCAA CC1=C(C(=O)N2CCOC[C@H](CN(C)C)C2)OCCO1 1506413135 GYTVAJUQQUZQFT-GFCCVEGCSA-N 284.356 0.301 0 50 CCAA Cc1n[nH]cc1CN(C)c1nc(N)c2cnn(C)c2n1 1529141481 GROZSIKVKHUJFA-UHFFFAOYSA-N 272.316 0.613 0 50 CCAA CCc1nnc(CN(C)Cc2nncn2CCOC)o1 1529154310 KJLJWZVPSRNBQQ-UHFFFAOYSA-N 280.332 0.502 0 50 CCAA Cc1nsnc1C(=O)NCCC(=O)N1CCCC1 1857689459 FCOQRTCZJRGXGO-UHFFFAOYSA-N 268.342 0.589 0 50 CCAA CN1CCC[C@]2(CO)CCN(Cc3cnc(N)nc3)C[C@@H]12 1704343540 JUCWWCOGMXEJKP-UKRRQHHQSA-N 291.399 0.337 0 50 CCAA NCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2560784 KXMSCBRTBLPGIN-SNVBAGLBSA-N 252.270 0.715 0 50 CCAA in-vitro Cc1nsc(N2CCCC[C@H]2CNS(C)(=O)=O)n1 678392643 PULGKDFHSCJNAY-VIFPVBQESA-N 290.414 0.755 0 50 CCAA Cc1nc(CN2CCN(C[C@@H]3CCOC3)CC2)no1 215024367 DNACWIHPUFLLMY-LBPRGKRZSA-N 266.345 0.532 0 50 CCAA Cn1cc(-c2noc([C@H]3CCCc4nccn43)n2)nn1 1615046114 WWVXKCACCUGBIL-SECBINFHSA-N 271.284 0.987 0 50 CCAA CNC1(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CCC1 1615555925 ZWFJKCUOJYTHRS-ZYHUDNBSSA-N 291.317 0.787 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N1CCC([C@H](O)CO)CC1 1772711922 YUSACRNIQYXQCV-GFCCVEGCSA-N 279.340 0.104 0 50 CCAA COCCN1CCN(c2ncnc3cc[nH]c23)CC1 1772818382 RMEQWLOLRLZQBH-UHFFFAOYSA-N 261.329 0.726 0 50 CCAA CN1C[C@@H](CN2CCN(c3ncccn3)CC2)CCC1=O 1772810371 LELGFDTWRPQRFO-ZDUSSCGKSA-N 289.383 0.467 0 50 CCAA Cc1cc(C(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)n(C(C)(C)C)n1 1857680479 OEXMJUARGQNMRV-WDEREUQCSA-N 290.367 0.907 0 50 CCAA CN1C(=O)NCC12CN(c1noc(-c3ccccc3)n1)C2 1857684964 LPXWDCLMFMHNPY-UHFFFAOYSA-N 285.307 0.950 0 50 CCAA O=C(O)CN1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857711069 ZGZBVXMSSJIDOE-ZIAGYGMSSA-N 276.336 0.829 0 50 CCAA Cc1ncc(NC(=O)CN2CCCC[C@H](O)C2=O)cn1 644347116 BLJXNVLEHBINEA-NSHDSACASA-N 278.312 0.097 0 50 CCAA Cc1c([C@H]2OCC[C@@H]2NC(=O)CNC(C)C)cnn1C 659313656 KFFMTZYKOBSCGY-GXTWGEPZSA-N 280.372 0.673 0 50 CCAA C[C@H](C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)N(C)C 585121226 IZKRPWGZVVBMJG-YPMHNXCESA-N 281.400 0.701 0 50 CCAA CCOc1cc(C(=O)N[C@@H]2CCCN(CCOC)C2)[nH]n1 1007606273 UYCOUXQVNQJOGD-LLVKDONJSA-N 296.371 0.649 0 50 CCAA Cc1nn2c(NC(=O)[C@@H]3CCOC3)csc2nc1=O 1850038151 KXWZUBDDENLUNC-SSDOTTSWSA-N 280.309 0.434 0 50 CCAA COCCc1noc(CSc2nnc(CN)n2C)n1 534650102 BQLNVXOEFXCMMK-UHFFFAOYSA-N 284.345 0.138 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc2c[nH]nc12 334594633 DNDIHNVBVWXELT-GZMMTYOYSA-N 272.308 0.960 0 50 CCAA Cc1ccc(C(=O)NC(C(N)=S)=C2NCCN2)cc1 2050025171 XTWNHSOOLFHKSB-UHFFFAOYSA-N 276.365 0.373 0 50 CCAA CNC(=O)[C@H](C)N(C)C(=O)CNC(=O)c1ccc(C)s1 2325766814 DDKWXBNYNZUCMQ-VIFPVBQESA-N 297.380 0.379 0 50 CCAA C[C@H]1NC(=O)O[C@]12CCN(C(=O)Cc1cncnc1)C2 2325784168 FJAVTBDNTOMIHW-RNCFNFMXSA-N 276.296 0.119 0 50 CCAA C[C@@]1(C(=O)NOCc2cccnc2)COC(=O)C1 2325796522 WFEFCQVGDRQCQJ-LBPRGKRZSA-N 250.254 0.583 0 50 CCAA Cn1nnnc1[C@@H]1CN(CCc2ccc(O)cc2)CCO1 2356150964 KODKLWPXIOHLQU-ZDUSSCGKSA-N 289.339 0.532 0 50 CCAA CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@H](O)[C@@H]1C 101083647 UDGNJVOMHNFBJL-INMIOYRUSA-N 282.336 0.932 0 50 CCAA CCN(Cc1nc(COC)no1)C(=O)[C@@H]1CCNC1 55226882 GFPLJXKGVJZVQE-SECBINFHSA-N 268.317 0.174 0 50 CCAA CN(Cc1cn(C2CCNCC2)nn1)C[C@@H]1CCCO1 23543488 PYMJSJONEKIMFI-AWEZNQCLSA-N 279.388 0.813 0 50 CCAA CCS(=O)(=O)c1ccc(O)c(-n2cnnc2)c1 65420466 CVHNGCCKSRVQNV-UHFFFAOYSA-N 253.283 0.767 0 50 CCAA CN1CCC[C@]2(CCN(C(=O)c3ccc[nH]c3=O)C2)C1=O 67840105 XXAYAXOCCKUBPF-OAHLLOKOSA-N 289.335 0.459 0 50 CCAA COC[C@@H]1CCCN(S(=O)(=O)NCc2ccoc2)C1 1506400430 MWOULKGNVYPMBA-GFCCVEGCSA-N 288.369 0.972 0 50 CCAA Cn1ccc(-c2n[nH]c(=O)n2-c2ccc(C(=O)O)cc2)n1 65434504 LXBBHKIEVRMDFE-UHFFFAOYSA-N 285.263 0.659 0 50 CCAA O[C@]1(CN=c2cccc(-n3ccnc3)[nH]2)CCOC1 378288310 VQAVNPPBDNYQKO-ZDUSSCGKSA-N 260.297 0.253 0 50 CCAA CCCc1n[nH]c([C@H]2CN([C@H]3CCN(C)C3=O)CCO2)n1 257366146 LGDWJYFTCWSCQM-WDEREUQCSA-N 293.371 0.361 0 50 CCAA CCCCOCC(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C 67559185 GYEABRSNMFJRJL-RYUDHWBXSA-N 285.388 0.256 0 50 CCAA O[C@@H]1CCCN(c2ccnc(-c3cncnc3)n2)C1 215512460 ZRBADQFPJMSFDX-LLVKDONJSA-N 257.297 0.895 0 50 CCAA COC(=O)[C@@]12C[C@H]3CC[C@@H](C[C@@](C(=O)OC)(C1)C3=O)C2=O 215750211 LQZRHZVREJDZSG-XRQRDNCTSA-N 294.303 0.667 0 50 CCAA C[C@H]1CNCCN1C(=O)c1ccc(-n2cnnc2)cc1 125881400 MMOWHEVHCHTSFH-NSHDSACASA-N 271.324 0.701 0 50 CCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)C1CCOCC1)C2 72163685 OMEFCZMECDBEFY-UHFFFAOYSA-N 277.324 0.390 0 50 CCAA CCn1ncnc1CN1CCCO[C@@H](Cn2cccn2)C1 215584376 JNTRMSHODGGLGB-CYBMUJFWSA-N 290.371 0.786 0 50 CCAA CN(C[C@H]1CCOC1)C(=O)Nc1cccc(C(N)=O)n1 127725814 XQMAUHJHDZVMFT-SECBINFHSA-N 278.312 0.681 0 50 CCAA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)N[C@H]1[C@@H]4CNC[C@@H]41)C[C@@H]3C2 333782441 DXIUCYYLSCSMSM-JWMVDTHQSA-N 277.368 0.269 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCCC[C@H]1C(=O)OC 371579732 LNXJYIZTKCVMCI-NSHDSACASA-N 282.340 0.623 0 50 CCAA O=C(NC1CCC1)N1CCC[C@@H](N2CCNC2=O)C1 372614983 XCQRAHNACNAPKC-LLVKDONJSA-N 266.345 0.738 0 50 CCAA CCC1(O)CN(C(=O)C(C)(C)c2cnn(C)c2)C1 334587300 VLIBGAJYPPABKX-UHFFFAOYSA-N 251.330 0.681 0 50 CCAA CCCCS(=O)(=O)NCCN1CCCCC1=O 74816568 GDACQNZWPZMPLD-UHFFFAOYSA-N 262.375 0.718 0 50 CCAA Cc1nc2cc(C(=O)N[C@@H]3[C@@H](N)[C@H]4CCO[C@H]43)ccc2[nH]1 223761501 NENHQMIUMRQMPQ-GJQVQUKXSA-N 286.335 0.716 0 50 CCAA CN(C)S(=O)(=O)NC[C@@H]1COc2ccccc2C1 45798850 KECWTXKDMBKYBU-SNVBAGLBSA-N 270.354 0.634 0 50 CCAA COCCn1ccnc1CN(C)CCN1CCOCC1 223946346 AJZOCKQVDOKWDG-UHFFFAOYSA-N 282.388 0.294 0 50 CCAA C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](C(=O)O)C1 178257060 NZEZOTJSYNSMFB-NXEZZACHSA-N 264.281 0.782 0 50 CCAA COc1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N)cn1 426465087 DXQHRQIZUCVVEP-JZYVYDRUSA-N 262.313 0.295 0 50 CCAA CN(Cc1ncc[nH]1)C(=O)N[C@H]1CC[C@H](O)CC1 426440449 YTNBLWAOBMHXKS-MGCOHNPYSA-N 252.318 0.855 0 50 CCAA COCCN1C[C@@H](C(=O)NCC2(COC)CCC2)CC1=O 337182796 NHHVSGAVSURIFJ-LBPRGKRZSA-N 298.383 0.414 0 50 CCAA COc1ccc(N2C[C@@H](C(=O)O)CC2=O)c(OC)n1 199336541 PSOGIFXWRNLSAC-ZETCQYMHSA-N 266.253 0.536 0 50 CCAA COc1cnc(N2CC[C@]3(CCCNC3=O)C2)nc1 91908075 PKKCRJXUCPUTIF-CYBMUJFWSA-N 262.313 0.592 0 50 CCAA Cc1nc(CN2CC[C@@]3(CCCN(CCO)C3=O)C2)no1 91966617 KCLWZUOLHCKWAS-AWEZNQCLSA-N 294.355 0.185 0 50 CCAA COC1=C[C@]23[C@H]4[C@@H]5[C@@H]6[C@@H]5[C@@H]2[C@@]3(C=C1)[C@H]6n1c(=O)n(C)c(=O)n14 248022230 IDJQKWWEOAOOGI-HZOGGFDNSA-N 297.314 0.036 0 50 CCAA C[C@@]1(C(=O)NC2CCN(CC(N)=O)CC2)CCCCO1 534648530 LZWKBPWKSSKPHG-AWEZNQCLSA-N 283.372 0.012 0 50 CCAA Cc1c(CC(=O)N(C)[C@@H]2CCNC2)nnn1-c1ccccc1 269145222 CERUKTVTDQTEKL-CQSZACIVSA-N 299.378 0.939 0 50 CCAA CC[C@H](C(=O)O)N1CCC[C@H](CS(=O)(=O)NC)C1 629507045 KSGAULHPEJTKQT-VHSXEESVSA-N 278.374 0.111 0 50 CCAA Cc1nn2cc(CNC(=O)[C@@H]3C=CCN3)nc2s1 534582577 GLZLXQSQTWPGJY-VIFPVBQESA-N 263.326 0.243 0 50 CCAA CN(C)c1ncnc2c1CCN(C(=O)[C@@H]1CCCCO1)C2 299789043 WHPULIJUWZHPCU-ZDUSSCGKSA-N 290.367 0.996 0 50 CCAA Nc1cc(C(=O)NC[C@H]2CCN(C3CCCC3)C2)n[nH]1 299759534 OGSQSQVKAVNHCN-SNVBAGLBSA-N 277.372 0.986 0 50 CCAA CCN1CCN(Cc2cnc(OC)nc2)CC1=O 823117588 VCDXMIASGYMFAZ-UHFFFAOYSA-N 250.302 0.149 0 50 CCAA CN1CCC(OCCCN=c2nc(N)cc[nH]2)CC1 584895125 ZTEKLRXBMPURJZ-UHFFFAOYSA-N 265.361 0.394 0 50 CCAA Cc1cccc(S(=O)(=O)N2CCN(C)[C@@H](CCO)C2)c1 670441188 XQTSPNZFGCACLR-ZDUSSCGKSA-N 298.408 0.682 0 50 CCAA CN1CCN(S(=O)(=O)CC2CCCC2)C[C@H]1CCO 670472362 UVKSXUITDDUXGL-CYBMUJFWSA-N 290.429 0.505 0 50 CCAA O=C(O)[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)C[C@H]1CCCCO1 585134509 XFBZUHQHHWUBBP-MXWKQRLJSA-N 299.323 0.722 0 50 CCAA CNC(=O)[C@@H]1CCN(Cc2[nH]cc(C)c(=O)c2C)C1 670451071 SCRIPCXAIUTUFJ-LLVKDONJSA-N 263.341 0.560 0 50 CCAA CCCn1nccc1S(=O)(=O)N1CCN(C)[C@@H](C)C1 670452000 UXEZTCKPRITDJS-NSHDSACASA-N 286.401 0.618 0 50 CCAA CC(C)c1ncc(CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)cn1 670441978 BSWMUSNQHFTSJR-TXEJJXNPSA-N 288.351 0.647 0 50 CCAA O=C(N[C@@H]1C[C@H](C(=O)O)C[C@@H]1n1ccnn1)C1CC1 685940441 LXURMLDSXOMVHG-AEJSXWLSSA-N 264.285 0.209 0 50 CCAA CN1C[C@@H](N(C)c2ccc(S(C)(=O)=O)cn2)CCC1=O 1548444067 VVOFWURYRDNYGO-JTQLQIEISA-N 297.380 0.542 0 50 CCAA NC[C@@H]1CN(C[C@@]2(O)CCCNC2)C[C@H]1c1ccccc1 952877430 PUWVMSYOUPEBES-IXDOHACOSA-N 289.423 0.775 0 50 CCAA C[C@H](Cn1cncn1)C(=O)N(Cc1cnn(C)c1)C1CC1 952869997 SSFYFLQTZUNGKC-LLVKDONJSA-N 288.355 0.839 0 50 CCAA COCCn1cnnc1CNCc1nc(C)c(C)n1C 952968272 LBTCZXIAYZWCPM-UHFFFAOYSA-N 278.360 0.565 0 50 CCAA CN(C)Cc1cc(O[C@@H]2CCN(CC(N)=O)C2)ccn1 886068642 FXBOMJVBHWZRFZ-CYBMUJFWSA-N 278.356 0.082 0 50 CCAA CCN(CC(=O)OC)C(=O)C[C@@H]1C[C@H](O)C1(C)C 1776006130 MLWXOWDALPJAQL-UWVGGRQHSA-N 257.330 0.805 0 50 CCAA OC[C@H]1CN(Cc2cnc(C3CC3)o2)CC[C@@H]1O 1335329519 KRUHITGIMQQLSZ-PWSUYJOCSA-N 252.314 0.727 0 50 CCAA Nc1nc2ccc(I)cn2n1 88190152 GGOBBEPQXQCTMC-UHFFFAOYSA-N 260.038 0.916 0 50 CCAA in-vitro CCc1nc(C)c(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N(C)C)o1 1074617511 YPEIRTICNGPZBH-TWJQMWNJSA-N 293.367 0.993 0 50 CCAA COCC1(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 408146815 VLCQIOWHIXLMRG-SECBINFHSA-N 261.343 0.106 0 50 CCAA CC[C@H]1CN(S(=O)(=O)CC2CC2)CCN1C[C@H](C)O 408428125 BGQPKQQNWOSIOD-AAEUAGOBSA-N 290.429 0.503 0 50 CCAA O=C(NC[C@H]1CCCCN1CCO)[C@@H]1CCCOC1 408519917 RKBQXXZDCPWLGD-CHWSQXEVSA-N 270.373 0.376 0 50 CCAA Cc1c(CN(C)S(=O)(=O)N2CCCCC2)cnn1C 556092613 ICCYEHLKDWWCDH-UHFFFAOYSA-N 286.401 0.891 0 50 CCAA NS(=O)(=O)c1ccccc1NC[C@@H](O)C1CC1 110443392 DMNLRYZPRFFYPW-SNVBAGLBSA-N 256.327 0.517 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1nc(C)no1 643827203 AUHREAUIGHFXHQ-GFCCVEGCSA-N 268.317 0.105 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N[C@]1(C)CCS(=O)(=O)C1 192690861 LHXSCUPKHILKJC-IQJOONFLSA-N 261.343 0.105 0 50 CCAA O=C(Cc1ccon1)N1CCNC[C@H]1c1ccncc1 565306507 AZZMUJPTIKRMGW-ZDUSSCGKSA-N 272.308 0.785 0 50 CCAA Cn1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cn1 194924126 KASKGAVTXPNRAB-ZDUSSCGKSA-N 287.319 0.775 0 50 CCAA O=C(c1ccn2nnnc2c1)N1CC(C(F)(F)F)C1 669325575 XARDNSUVEKFGGZ-UHFFFAOYSA-N 271.202 0.759 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCCC[C@@H]1CO 911952168 LDZSXWLURGGOIA-LLVKDONJSA-N 254.330 0.442 0 50 CCAA CCc1nn(C)c(NC(=O)CNC(C)=O)c1CC 1506421199 GPCCOOLDDLACIC-UHFFFAOYSA-N 252.318 0.620 0 50 CCAA CC(=O)c1ccc(C(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)s1 1857709353 SLTLIZCQRRBSHZ-AOOOYVTPSA-N 295.360 0.624 0 50 CCAA COCCn1cnnc1CN(C)Cc1nc(C(=O)O)co1 1704356806 LGRMLVINBJQIMH-UHFFFAOYSA-N 295.299 0.243 0 50 CCAA CO[C@@H]1CCC[C@@]12CCCN(CC(=O)N1CCNCC1)C2 1704325997 QQEKBHAZJRUAGJ-ZBFHGGJFSA-N 295.427 0.699 0 50 CCAA CNS(=O)(=O)N1CCCc2ccccc2CC1 334634577 FNCGPNNNEXRVAN-UHFFFAOYSA-N 254.355 0.942 0 50 CCAA COC[C@@H](O)CN1CCOC[C@H]1c1cccn1C 131976302 IAMXUGHHHLYNJP-AAEUAGOBSA-N 254.330 0.406 0 50 CCAA O=C(N1CC[C@H](CN2CCOCC2)C1)C1(O)CCCC1 363575730 UTBFVODNNHDWET-CYBMUJFWSA-N 282.384 0.472 0 50 CCAA O=C1c2ccccc2C(=O)N1CCc1n[nH]c(S)n1 5731588 YHYSWWVEIHWRHQ-UHFFFAOYSA-N 274.305 0.932 0 50 CCAA Cc1cc(C)c2c(=O)[nH]c(SCC(N)=O)nc2n1 11847522 GNNNLAOWMHGNMH-UHFFFAOYSA-N 264.310 0.512 0 50 CCAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCCCO1 12748398 XAFPEFNURBLZTO-LBPRGKRZSA-N 283.372 0.387 0 50 CCAA Cn1nc(O)cc1C(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2 1857527883 VRYCOSKGHSUTFL-GUBZILKMSA-N 265.313 0.359 0 50 CCAA CN1CCO[C@H](C(=O)NCc2cccn3nccc23)C1 1857681792 AYHIMJFAPHNFLR-ZDUSSCGKSA-N 274.324 0.281 0 50 CCAA CC(=O)N1CCCN(C(=O)N=c2cc[nH]cc2C)CC1 408059363 CDFGJBNZOLOKJA-UHFFFAOYSA-N 276.340 0.898 0 50 CCAA O=C(N1CC[C@H](Oc2ccccn2)C1)[C@@]1(O)CCOC1 334129946 SRULXPDCHLAWFX-SMDDNHRTSA-N 278.308 0.213 0 50 CCAA Cc1c(O)cccc1C(=O)N1CCC([C@H](O)CO)CC1 1772809208 PBVUSCZPZLBWMH-CQSZACIVSA-N 279.336 0.906 0 50 CCAA CCS(=O)(=O)C1CN(C(=O)c2cn3c(n2)CCCC3)C1 821750326 UFFRRJAZCMZWOB-UHFFFAOYSA-N 297.380 0.479 0 50 CCAA CCO[C@@H]1COC[C@H]1NC(=O)c1ccnnc1C 1262628366 SFKQAKRQTXAJAP-GHMZBOCLSA-N 251.286 0.319 0 50 CCAA CCOc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1O 218832280 XONFOSUGXGPNHV-VXGBXAGGSA-N 265.309 0.965 0 50 CCAA CC(C)(C)NC(=O)CNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 121895365 UVMZPSDMJRHNMN-ZJUUUORDSA-N 284.356 0.908 0 50 CCAA O=S(=O)(Cc1ccccc1F)N1CCNCC1 145502847 MOIWKGYQDMJZHX-UHFFFAOYSA-N 258.318 0.561 0 50 CCAA COc1cccc(CCC(=O)N2CCOC[C@H](O)C2)c1 77303342 JXWKDULUFJZRLT-CYBMUJFWSA-N 279.336 0.848 0 50 CCAA C[C@]1(C(=O)O)CCCN(C(=O)c2cnc(N)s2)C1 426442505 ILSNWCGYUHJOGV-NSHDSACASA-N 269.326 1.052 0 50 CCAA CO[C@@H](C)c1noc(CN(C)[C@@H](C)C(=O)N(C)C)n1 331316198 IYJMWRVTPOUEGT-IUCAKERBSA-N 270.333 0.686 0 50 CCAA O=C(CCc1ccncc1)N1CCO[C@@]2(CCNC2)C1 717416466 HBDAEUJDFMVIQM-OAHLLOKOSA-N 275.352 0.605 0 50 CCAA CN1CCC(CC(=O)N2CCC[C@H]2c2nn[nH]n2)CC1 900395700 KCSXSVMQUDAZOV-NSHDSACASA-N 278.360 0.595 0 50 CCAA O=C1CS[C@@H](C(=O)N=c2nc(C3CC3)[nH]s2)C1 2325797115 MEMPOUSXDQBPMS-SSDOTTSWSA-N 269.351 0.851 0 50 CCAA COC(=O)c1ccc(C(=O)OC)c(NS(C)(=O)=O)c1 29513 GKTMTMBHZCORLO-UHFFFAOYSA-N 287.293 0.631 0 50 CCAA NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1708201 AJHCSUXXECOXOY-NSHDSACASA-N 261.281 0.239 0 50 CCAA endogenous,in-man CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CC 2428183 CKWZNNDCPGJHCI-UHFFFAOYSA-N 266.301 0.242 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1CCOCc1ccccc1 67872843 UWGYIRLDAJRBOK-KBPBESRZSA-N 277.368 0.351 0 50 CCAA COCCN(Cc1cnn(C)c1)C(=O)c1cccc(=O)[nH]1 55182656 VSHUYPIELQZVRI-UHFFFAOYSA-N 290.323 0.397 0 50 CCAA CCCc1cncnc1N1CCN2CCN(C)C(=O)[C@@H]2C1 65531407 DVWQEZGZVPLPGN-ZDUSSCGKSA-N 289.383 0.392 0 50 CCAA C[C@H](CO[C@H]1CCOC1)NC(=O)c1cc[nH]c(=O)c1 155923693 WJKZUBVQCIFXFV-KOLCDFICSA-N 266.297 0.299 0 50 CCAA Cc1ccc(C)c(N(CC(N)=O)S(=O)(=O)N(C)C)c1 20244526 OKFKGOMEEGCRDW-UHFFFAOYSA-N 285.369 0.402 0 50 CCAA Nc1nonc1-c1nc2ccccc2n1Cc1nnn[nH]1 33284183 KNJOGMJHNSVZCC-UHFFFAOYSA-N 283.255 0.230 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1N 252516277 RFJHFISUQFAGCV-AUZPSNTRSA-N 279.384 0.441 0 50 CCAA CCn1ncnc1[C@H]1CC(=O)NCc2nc(N)sc21 65488225 LOUMSJXBNPYEDN-LURJTMIESA-N 278.341 0.489 0 50 CCAA CNCc1n[nH]c(=O)n1-c1ccc(OC)c(Cl)c1 65396775 XFGOKGJXXBVITR-UHFFFAOYSA-N 268.704 0.942 0 50 CCAA O=C1C[C@H](C(=O)N2CCNCC2)CN1Cc1ccccc1 32051204 HRCNYMQFUXNAKC-AWEZNQCLSA-N 287.363 0.467 0 50 CCAA CCn1ncn(NC(=O)c2cccc(OC)c2)c1=O 521394319 QTRWAMJKIYBHGH-UHFFFAOYSA-N 262.269 0.457 0 50 CCAA Cn1cnc2c1CCN(C[C@@H](O)COC[C@H]1CCCO1)C2 257365292 FKJZPPHFAWNVRX-CHWSQXEVSA-N 295.383 0.335 0 50 CCAA CC(C)CN1CCN(C(=O)c2cn[nH]c2)C[C@@H]1CCO 215202169 XCEQVUIFCKDIIK-ZDUSSCGKSA-N 280.372 0.575 0 50 CCAA Cn1cccc1C(=O)C(=O)NCCSc1ncn[nH]1 215787118 ZWSRBYOFASJGAC-UHFFFAOYSA-N 279.325 0.234 0 50 CCAA COc1nccnc1N1CCC(NS(C)(=O)=O)CC1 32592935 QWAICIIJJODOKI-UHFFFAOYSA-N 286.357 0.003 0 50 CCAA Cn1cncc1C(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O 330173212 HDSNZOZGJJXQBC-JQWIXIFHSA-N 277.324 0.630 0 50 CCAA CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cn[nH]c1C(=O)O)C2 216108321 IWKMWYRRWCCQCN-SCZZXKLOSA-N 278.312 0.161 0 50 CCAA CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1 36091345 JFGUPMRJQNXLDX-NSHDSACASA-N 266.297 0.533 0 50 CCAA COCc1nc(CN2CC(C)(C)O[C@@]3(CCOC3)C2)no1 369869050 WZNNWTPNVINQFM-AWEZNQCLSA-N 297.355 0.986 0 50 CCAA O=C(C[C@@H]1CNCCO1)N1CCNC[C@@H]1c1ccccc1 333617799 RHAYNBGRCRJDML-HUUCEWRRSA-N 289.379 0.538 0 50 CCAA CN(C)[C@H](C(=O)NCCCN)c1ccc(F)cc1 219689047 NUVVAUGRLUQJSZ-LBPRGKRZSA-N 253.321 0.893 0 50 CCAA Cc1cc(C[C@H](C)NC(=O)N2CCC[C@H](O)C2)n[nH]1 158269966 UHKMERAIFXTDJD-CABZTGNLSA-N 266.345 0.815 0 50 CCAA NC(=O)C[C@@H]1CCN(C(=O)CC2(O)CCCCC2)C1 377170429 VGEXZXPVMVQUIT-NSHDSACASA-N 268.357 0.796 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)NCc1cc(C(=O)O)co1 285061967 KAUQRFSPDMKICV-UHFFFAOYSA-N 299.308 0.498 0 50 CCAA Cc1cc(C)n(CCNC(=O)c2ccncc2)c(=O)n1 222487677 OSSTVKPSPCYFPH-UHFFFAOYSA-N 272.308 0.685 0 50 CCAA CCCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1 132178146 ALZCMSODPXXBAZ-CHWSQXEVSA-N 281.400 0.893 0 50 CCAA CN(C)CCN(C)C(=O)c1cnc2ccccn2c1=O 80391106 MOESPCOGMVIPLK-UHFFFAOYSA-N 274.324 0.328 0 50 CCAA CSCc1noc(CNC(=O)c2cnc(N)nc2C)n1 222415708 JWAKWFKUHQGEBC-UHFFFAOYSA-N 294.340 0.543 0 50 CCAA O=C(Nc1ccc(F)cn1)N1CCS(=O)(=O)CC1 181859385 GKAVUMSHPXBYRL-UHFFFAOYSA-N 273.289 0.483 0 50 CCAA CNC(=O)CN1CCCNC(=O)[C@H]1Cc1ccccc1 293024720 QYUDEWQJOJEVGN-CYBMUJFWSA-N 275.352 0.166 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)N1CCc2[nH]cnc2C1 95361824 HPGUFINKCZFASX-NSHDSACASA-N 296.396 0.552 0 50 CCAA Nc1nc(CNC(=O)c2cn3ccsc3n2)n[nH]1 91595787 CCNWZCJYNAZRAW-UHFFFAOYSA-N 263.286 0.026 0 50 CCAA O=C(O)[C@@H]1CCCN(C(=O)CCOC[C@H]2CCCO2)C1 299745529 ZZADRDSFYUNBEA-VXGBXAGGSA-N 285.340 0.895 0 50 CCAA O=C(O)[C@@H]1CCCN(C(=O)COC[C@H]2CCCO2)C1 299743470 NQIDQJLHMNPMDZ-GHMZBOCLSA-N 271.313 0.505 0 50 CCAA CCN(CC)CC1(NC(=O)CNC(=O)N(C)C)CC1 534577181 QHYGKNRQOAKLSJ-UHFFFAOYSA-N 270.377 0.248 0 50 CCAA CC(C)Cn1ccnc1CNC(=O)[C@H]1NCCO[C@@H]1C 262310466 QJAQMRJBHXJQPP-YPMHNXCESA-N 280.372 0.532 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CN1Cc1cccc(OC)c1OC 276695949 XYWBDFLNUAYRDR-VXGBXAGGSA-N 295.335 0.812 0 50 CCAA COc1nccnc1NCCN1CCC[C@@H](CO)C1 828711206 QOCSAWOYZRLTIE-LLVKDONJSA-N 266.345 0.601 0 50 CCAA Cc1csc2c(=O)n([C@H]3COC[C@@H]3O)cnc12 584892417 IEXWJOYDSWEURN-YUMQZZPRSA-N 252.295 0.699 0 50 CCAA CN(C[C@@H]1CCN(C)C1(C)C)C(=O)CN1CCOCC1 584895676 AORMYXBKCXHTLN-ZDUSSCGKSA-N 283.416 0.507 0 50 CCAA CCCN1C[C@@H](NC(=O)c2cncn2C)CC1=O 584887322 VTSSYBOKLVXQDT-VIFPVBQESA-N 250.302 0.161 0 50 CCAA CCn1ccc(C(=O)N[C@]2(CC(=O)O)CCCOC2)n1 1548453998 IBDPPRGUYMXDED-ZDUSSCGKSA-N 281.312 0.657 0 50 CCAA COc1cccc(=NC[C@]2(CO)COC[C@@H](C)N2C)[nH]1 1875398140 CUZIIZGPCULEAV-RISCZKNCSA-N 281.356 0.006 0 50 CCAA C[C@@]1(C(=O)O)CCCN(C(=O)[C@H](C(=O)O)C2CC2)C1 1875358419 VOTHEJASLIGLBB-NOZJJQNGSA-N 269.297 0.811 0 50 CCAA Cc1cnc(S(=O)(=O)Cc2nn(C)cc2C)[nH]1 1875280317 SKLUVMAEFBFPEL-UHFFFAOYSA-N 254.315 0.734 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc(F)c(O)c2F)C[C@H](CO)O1 1875293624 WYEJDGCWXNLIBG-HTQZYQBOSA-N 287.262 0.892 0 50 CCAA CC(C)(C)OC(=O)N1CCC([C@H]2C[C@H](O)C(=O)N2)CC1 1772797818 ZTKKUHVQXIJPRT-MNOVXSKESA-N 284.356 0.883 0 50 CCAA CC(=O)N[C@H]1CCN(c2nnc(-c3ccon3)s2)C1 894245135 YVFOFWLDDCOPHY-QMMMGPOBSA-N 279.325 0.908 0 50 CCAA CCCc1cnc(N2C[C@H](CO)[C@@H](CO)C2)nc1 1565529584 MABKJYXHIGNXFB-VXGBXAGGSA-N 251.330 0.466 0 50 CCAA C[C@H]1CN(c2ncnc3c2nnn3C)C[C@@H](C2CC2)O1 408523320 IQSSXBYTYFSFGF-WPRPVWTQSA-N 274.328 0.762 0 50 CCAA CC(C)=CC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 408514561 PFFBZYROJDESAB-UHFFFAOYSA-N 298.368 0.209 0 50 CCAA COc1cc(C)nc(Cn2ccc(=O)n(C)c2=O)c1 641731738 JITPKWSRYIOSJA-UHFFFAOYSA-N 261.281 0.307 0 50 CCAA COC[C@H](OC)C(=O)N1CCCC[C@@H]1CC(=O)O 659144431 HAUHUANNNWMHSZ-ZJUUUORDSA-N 259.302 0.504 0 50 CCAA CNC(=O)[C@H](NC(=O)CCc1cn[nH]c1)c1ccccc1 1506420764 QVQKLXXMRLEWLL-CQSZACIVSA-N 286.335 0.946 0 50 CCAA CC(=O)N[C@@H](C)CC(=O)Nc1nnc2nc(C)ccn12 1529119084 RWWROMOOTZIVDT-QMMMGPOBSA-N 276.300 0.286 0 50 CCAA CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CNCC2 1800410030 NHICCNOGMVCPNR-UHFFFAOYSA-N 277.372 0.149 0 50 CCAA CCc1cccc(CC(=O)NC(C)(CO)CO)c1 120659039 QCWWCYCRLPMWSY-UHFFFAOYSA-N 251.326 0.651 0 50 CCAA COCc1cncc(C(=O)NC[C@@H](C)C(=O)O)c1 659134122 RZAVBCUYHDAXHX-MRVPVSSYSA-N 252.270 0.679 0 50 CCAA CCCn1ncnc1CN1C[C@H](OC)C[C@H]1COC 344357873 UXAWKRXOIJLSLK-NWDGAFQWSA-N 268.361 0.924 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cccn3C)C[C@@H]2O)n[nH]1 1704356212 DJOIWGDWVLIOPU-RISCZKNCSA-N 288.351 0.732 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)c2cccnc2)[C@H]1CN 252136669 LOQVXMYLCLHXAP-PWSUYJOCSA-N 269.370 0.830 0 50 CCAA COC(=O)c1cccc(CN2CCCC2(CO)CO)c1 1615606451 YOVRVGVRYBDJMO-UHFFFAOYSA-N 279.336 0.792 0 50 CCAA O=C(c1n[nH]c2c1COCC2)N1CCC[C@@H]1C1(O)CC1 1772814488 CCZIGHHPVRSERM-LLVKDONJSA-N 277.324 0.612 0 50 CCAA Cc1ncc(Cl)c(NCCc2nnc(O)n2C)n1 1772709245 JXXKDSXWVOZGCJ-UHFFFAOYSA-N 268.708 0.927 0 50 CCAA COCC(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 11878720 GPNVEZHLWWUJIC-ZDUSSCGKSA-N 276.336 0.593 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 16322917 NWRQXIQGLPCWCL-HTQZYQBOSA-N 273.285 0.727 0 50 CCAA O=C(O)[C@H]1[C@@H](C(=O)N2CCOCC2)[C@H]2C=C[C@H]1C2 169295849 WLYUHCLZBSNNLJ-XWLWVQCSSA-N 251.282 0.368 0 50 CCAA NS(=O)(=O)C[C@@H]1CC[C@H](Nc2ncnc3c2CCC3)C1 1647635564 NWHSKSDOGJHHBY-ZJUUUORDSA-N 296.396 0.834 0 50 CCAA O=C(O)[C@]12COCC[C@H]1CN(CCn1cc(Cl)cn1)C2 1857669842 KEFQOEGXOGEJTJ-GXFFZTMASA-N 299.758 0.960 0 50 CCAA CN1CCO[C@@H](C(=O)NCc2cccn3nccc23)C1 1857681790 AYHIMJFAPHNFLR-CYBMUJFWSA-N 274.324 0.281 0 50 CCAA Cc1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C(=O)N3)c(C)s1 1857711401 XIHZQJZQCUIALT-IUCAKERBSA-N 286.378 0.626 0 50 CCAA O=C(NC1CCS(=O)(=O)CC1)[C@H]1CCn2nccc2C1 1857733602 QMYGXANOPAOPRE-JTQLQIEISA-N 297.380 0.139 0 50 CCAA O=C1CC2(CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)CN1 1649733177 FWLCGUTZKNHFJM-UHFFFAOYSA-N 299.334 0.700 0 50 CCAA CCCc1nc(C(N)=O)nn1CC(=O)N1CCCCCC1 253431914 YLPQLOHLMBOUBT-UHFFFAOYSA-N 293.371 0.732 0 50 CCAA Cn1ncc2c(N)nc(N3CCC[C@@]34CCNC4)nc21 900449975 LFGIUEUTBIRELX-ZDUSSCGKSA-N 273.344 0.278 0 50 CCAA C1CC2(CCN1)CO[C@@H](CN1C[C@@H]3CCNC[C@@H]3C1)C2 903788855 RIMXCTGDLWUSKC-RRFJBIMHSA-N 279.428 0.686 0 50 CCAA O=C(CCn1cnnn1)N1CCC[C@@H](c2ccn[nH]2)C1 67741121 ZSGOQJZWOWFKLO-SNVBAGLBSA-N 275.316 0.193 0 50 CCAA Cc1nc(C)c(CN2C(=O)NC3(CCNCC3)C2=O)o1 77303938 PEZAHUXIXXXLCJ-UHFFFAOYSA-N 278.312 0.465 0 50 CCAA Nc1nc2c(c(NC[C@@H]3CCS(=O)(=O)C3)n1)CCCC2 91746184 XKGLYXCPLMSZKC-VIFPVBQESA-N 296.396 0.784 0 50 CCAA CC1(C)C[C@H](O)CCN(S(=O)(=O)c2cn[nH]c2)C1 395321353 ANTLWVWGJNVUGI-SECBINFHSA-N 273.358 0.581 0 50 CCAA CNC(=O)c1cccnc1N1C[C@@H]2CN(C)C[C@]2(C)C1 896914340 AUBXKKYUZSHRQN-XHDPSFHLSA-N 274.368 0.829 0 50 CCAA COc1ccc(CCn2c(N)cc(=O)[nH]c2=O)cc1OC 54423 IQRPFYUBJZSLRA-UHFFFAOYSA-N 291.307 0.379 0 50 CCAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CCOCC1 127386 RXGJPWDHLIDOTG-UHFFFAOYSA-N 285.321 0.479 0 50 CCAA O=C1O[C@H](N2C(=O)CC[C@@H]2C(=O)O)c2ccccc21 488877 BBYDVCBRFNLCJZ-KOLCDFICSA-N 261.233 0.931 0 50 CCAA CCOC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 2336930 JHBIFLRJHYNXHZ-UHFFFAOYSA-N 280.280 0.127 0 50 CCAA COCCN1CN(C(=O)c2nc(C)sc2C)CC1=O 282407843 IIDGKROUZIVMFI-UHFFFAOYSA-N 283.353 0.648 0 50 CCAA CC(C)(C)N1C[C@H](C(=O)N2CCC(C(=O)O)CC2)CC1=O 20200898 FBGNNNVCJXWVHL-LLVKDONJSA-N 296.367 0.957 0 50 CCAA c1cc2c(cc1-c1noc(Cn3cnnn3)n1)OCO2 346266033 OMVANWFIXSBFGL-UHFFFAOYSA-N 272.224 0.500 0 50 CCAA CN1CCN(C(=O)c2cnc3ccccc3n2)CC1=O 20449688 KKYIZKLIRRELPN-UHFFFAOYSA-N 270.292 0.544 0 50 CCAA Cc1cnn(CCC(=O)NCc2cnn(C)c2C)c1 119429689 SCZAUCPXRPIJEB-UHFFFAOYSA-N 261.329 0.940 0 50 CCAA C[C@H]1OCC[C@]1(O)CNC(=O)Cc1ccsc1 228684945 ZFFGMTMMQLRLPE-SKDRFNHKSA-N 255.339 0.947 0 50 CCAA CC(C)C[C@H](NC(=O)C1=NNC(=O)CC1)c1ncnn1C 67727375 TYFNZOBGQKHPHP-JTQLQIEISA-N 292.343 0.285 0 50 CCAA O=C1C[C@H](C(=O)N2CCOC3(CCCC3)C2)CCN1 151058197 JNVWKAXIRAYLDW-LLVKDONJSA-N 266.341 0.684 0 50 CCAA C[C@@H](N[C@H]1CCN(C)C1=O)C1(N2CCOCC2)CCCC1 126034217 YQPZUDBHIXAIGZ-KGLIPLIRSA-N 295.427 0.840 0 50 CCAA COc1nccc(NC(=O)NCC(=O)OC(C)(C)C)n1 282624073 JQYKILVECWKWCD-UHFFFAOYSA-N 282.300 0.948 0 50 CCAA CC(C)N(C)CC(=O)Nc1ccn([C@@H]2CCNC2)n1 328643901 ZBUXHFLCCJXEKJ-LLVKDONJSA-N 265.361 0.696 0 50 CCAA Cc1cnn(-c2ccncc2NC(=O)[C@H]2CC(=O)N(C)C2)c1 123652370 LFWLAJGNKPKHHZ-NSHDSACASA-N 299.334 0.993 0 50 CCAA Cn1nnc2c1C[C@H](C(=O)N1CCC[C@H]1CF)CC2 329302221 NHQOFJQFPDTMCR-ZJUUUORDSA-N 266.320 0.881 0 50 CCAA Cc1cccnc1CN(C)c1nc2c(c(=O)[nH]1)CCNCC2 63881569 VQVULGRRTVNFTI-UHFFFAOYSA-N 299.378 0.798 0 50 CCAA CC(C)N1CCN(c2nc3c(N)ncnc3[nH]2)CC1 227258 FCSJSETWIGBAEJ-UHFFFAOYSA-N 261.333 0.466 0 50 CCAA biogenic C[C@H]1OCCN(S(=O)(=O)Cc2ccccc2)[C@@H]1C(N)=O 284387520 BBNQPNOQXJSFMK-PWSUYJOCSA-N 298.364 0.091 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)Cc1cccnc1 219774640 LRVVLHHLNSVZRI-CHWSQXEVSA-N 264.325 0.934 0 50 CCAA CCOc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 283521196 NCKSMLIAZIQVLD-UHFFFAOYSA-N 284.337 0.206 0 50 CCAA COC[C@H](C)n1ccc(=NC(=O)N[C@@H]2C[C@@H](O)C2(C)C)[nH]1 332056632 VZPKGZSMGRDSQF-HBNTYKKESA-N 296.371 0.793 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)CN2CCOCC2)C1 365608780 KPVXHAQMUAJKOZ-AWEZNQCLSA-N 270.373 0.330 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1cccc(O)c1C 125987920 NARTYYJKOLNBCL-JQWIXIFHSA-N 250.298 0.417 0 50 CCAA CCN1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 343338612 FDIMTXIPOPPUPW-LLVKDONJSA-N 258.362 0.591 0 50 CCAA CN1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 72419238 IXCVCEKCKPGNBG-LBPRGKRZSA-N 293.415 0.581 0 50 CCAA CN(CCc1ccccn1)C(=O)[C@@H]1COCCO1 47953946 BUMQBTXVWISDHV-LBPRGKRZSA-N 250.298 0.498 0 50 CCAA O=C(O)CC1(NC(=O)CN2CCC[C@H](O)C2)CCCCC1 426477383 LRARIOICUDPSNH-LBPRGKRZSA-N 298.383 0.737 0 50 CCAA CS(=O)(=O)NCc1ncnn1C1CCCCC1 96149589 KTDKASVSFROWIZ-UHFFFAOYSA-N 258.347 0.833 0 50 CCAA COCCn1cncc1CN1C(=O)OC(C)(C)C1=O 95506066 XUXVPUSHAKSQMC-UHFFFAOYSA-N 267.285 0.787 0 50 CCAA CSCC[C@@H](NC(=O)c1cccc(=O)[nH]1)C(=O)O 235039707 PJBZSPSVNWJHLD-MRVPVSSYSA-N 270.310 0.311 0 50 CCAA Cc1nccn1[C@H](C)C(=O)N(C)CCc1ncon1 426510861 PTSQOUKTDJVBAD-SECBINFHSA-N 263.301 0.837 0 50 CCAA CCN1CCN(CC(=O)N2C[C@@H](C)[C@](O)(C(C)C)C2)CC1 91635440 XBBGZCHLYIIELO-GDBMZVCRSA-N 297.443 0.489 0 50 CCAA Cc1ccccc1[C@H](C(=O)NC(CO)CO)N(C)C 95377131 QIEKCOVSRJNSOK-CYBMUJFWSA-N 266.341 0.067 0 50 CCAA Cc1nc(CN2CCC3(CC2)OCCC[C@@H]3O)n(C)n1 95361717 QCBFMWNGWUVZAQ-LBPRGKRZSA-N 280.372 0.629 0 50 CCAA O=C(NCCc1c[nH]cn1)[C@@H]1CCC(=O)N(C2CC2)C1 91691002 VWWCQZCSMNJXQX-SNVBAGLBSA-N 276.340 0.469 0 50 CCAA C[C@H]1CN(CC(=O)Nc2ccn(C)n2)CCCO1 244816811 SOTQILQYHNJMIB-JTQLQIEISA-N 252.318 0.469 0 50 CCAA CC(C)c1ccc(C(=O)Nc2nn[nH]c2C(N)=O)cn1 297903598 WLJHVRYENSBHAJ-UHFFFAOYSA-N 274.284 0.674 0 50 CCAA CCc1n[nH]c([C@@H]2CN([C@H]3C[C@H](C)OC3=O)CCO2)n1 299754180 LAWSILSMZUFVSS-GUBZILKMSA-N 280.328 0.444 0 50 CCAA CC(C)CS(=O)(=O)CCC(=O)N1CC[C@@H](C(=O)O)C1 299742973 LDKLUTDWVHJMRV-SNVBAGLBSA-N 291.369 0.380 0 50 CCAA COCCN(CC(=O)O)C(=O)CC[C@@H]1CC[C@H](C)O1 299752404 TZVBQNXRERYLSQ-QWRGUYRKSA-N 273.329 0.894 0 50 CCAA COCC1(C(=O)N2CCc3c(O)nc(N)nc3C2)CCC1 299767061 BVIMSRSNMSQHLR-UHFFFAOYSA-N 292.339 0.466 0 50 CCAA Cn1cc(CCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cn1 299798368 RGGGDZRIGMCXQI-IAZYJMLFSA-N 263.297 0.142 0 50 CCAA Nc1ncc(C(=O)NCCCCCN2CCOCC2)s1 827590613 GNXMYPDDLBKQKX-UHFFFAOYSA-N 298.412 0.958 0 50 CCAA COCCOCCN1C[C@H](O)[C@@H](N2CCCCC2)C1 824450654 AKWHLCIIXRNQQJ-KBPBESRZSA-N 272.389 0.180 0 50 CCAA CN(C)C(=O)NCC(=O)N1CCC(c2ncon2)CC1 584895317 ORXGIGVUMRXCQJ-UHFFFAOYSA-N 281.316 0.047 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc(N)s1 584896178 XAZXMPRGTIBVGD-YUMQZZPRSA-N 270.358 0.174 0 50 CCAA C=CC(=O)N[C@@H]1CS(=O)(=O)[C@H]1c1ccccc1 1875375770 IAMAIQMSDFGPKR-PWSUYJOCSA-N 251.307 0.827 0 50 CCAA Cc1ccn(C[C@@H](C)C(=O)N2CCOCCN2)n1 868628037 HROPQOMIIZKNRC-SNVBAGLBSA-N 252.318 0.191 0 50 CCAA C[C@@H]1CNCC[C@@H]1CNC(=O)c1ccc(C(=O)O)nc1 1875280211 ZZDLCYWFYSJACT-NXEZZACHSA-N 277.324 0.755 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N=c2cc[nH]cc2O)C1=O 886075625 QTZLCBZFTMRYJJ-GFCCVEGCSA-N 293.323 0.175 0 50 CCAA C[C@@H](CC(N)=O)N(C)Cc1nc(C(F)(F)F)no1 1506424772 MZPFNCNBVDTZPU-YFKPBYRVSA-N 266.223 0.784 0 50 CCAA CCCc1cc(N[C@H]2CCNC[C@@H]2O)nc(C)n1 1565511079 GZOBZKKSDJWSID-RYUDHWBXSA-N 250.346 0.872 0 50 CCAA C[C@@H]1C[C@H]1C(=O)OCCCn1cnc2c(N)ncnc21 170598933 XDJFBRLYEWATRQ-RKDXNWHRSA-N 275.312 0.998 0 50 CCAA COC(=O)[C@@H]1[C@@H](O)CCCN1CCCn1ccnc1 189546296 MBDRIBVXPLNLNK-RYUDHWBXSA-N 267.329 0.272 0 50 CCAA Cn1[nH]c([C@H]2CCCN2C[C@H](O)C(F)(F)F)nc1=N 408007116 BNZZHNBHHDOBIK-RQJHMYQMSA-N 279.266 0.288 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1C(N)=O 408038064 JVJCRWUHNREYSK-PSASIEDQSA-N 287.323 0.162 0 50 CCAA COC(=O)[C@@H](F)CNC(=O)c1ccn(C(C)C)n1 408520007 JSMAIWCAWGOEDP-QMMMGPOBSA-N 257.265 0.705 0 50 CCAA CCCCNC(=O)N1CCCC[C@H]1CS(N)(=O)=O 585135205 OSQVMXVGXCHJGE-JTQLQIEISA-N 277.390 0.639 0 50 CCAA CN(C[C@@H](O)CN1CCOCC1)c1ccncc1F 585118064 AKCNIYFDLQHEOJ-LLVKDONJSA-N 269.320 0.350 0 50 CCAA CCN(C(=O)N1CCC(OC)(OC)[C@H](O)C1)C(C)C 585139418 XWTABWZIZILRCE-LLVKDONJSA-N 274.361 0.892 0 50 CCAA C[C@@]12CN(C(=O)Cn3cnnn3)C[C@H]1[C@@H]1C=C[C@H]2C1 575095399 GQUCIMOGRMRJEZ-BLFANLJRSA-N 259.313 0.344 0 50 CCAA Cc1cc(C)n2nc(C(=O)NOC[C@@H]3CCOC3)nc2n1 788119465 SNHNBEGYTJWUHH-SNVBAGLBSA-N 291.311 0.439 0 50 CCAA CN1CC[C@@H](NC(=O)c2ncncc2Cl)C1=O 408079257 GDUHVGAJIXUKPF-SSDOTTSWSA-N 254.677 0.091 0 50 CCAA CN1CCCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)CC1 1857696400 YRKQZGRNYLZYEZ-YNEHKIRRSA-N 267.373 0.060 0 50 CCAA CCCc1cc(N2CC[C@@]3(CNC(=O)CO3)C2)nc(C)n1 1772819854 VUHSDFCRUMVLFS-OAHLLOKOSA-N 290.367 0.833 0 50 CCAA OCCCNc1nc2nonc2nc1N1CCCCC1 11663164 NMVGPDIXDRUUIN-UHFFFAOYSA-N 278.316 0.797 0 50 CCAA O=C(c1cn(C[C@H]2CCCO2)nn1)N1CCCCO1 12372856 WMVYUEOVXMEIIH-SNVBAGLBSA-N 266.301 0.625 0 50 CCAA CCN(CC)c1ncccc1CNC(=O)C1(C(N)=O)CC1 12472706 PSBKWTBFFTUPPR-UHFFFAOYSA-N 290.367 0.810 0 50 CCAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cccn1C(F)F 1857673628 QBWOIFGUCCBCDK-SFGNSQDASA-N 290.266 0.124 0 50 CCAA CN(C)c1cncc(N2C[C@@H](O)[C@H](Cc3ccncc3)C2)n1 1857737777 CHHCVSBQGWSISM-ZIAGYGMSSA-N 299.378 0.977 0 50 CCAA Cn1cc(Cl)c(C(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)n1 1875251119 XHEQTJUMRRQCSF-DVVUODLYSA-N 299.758 0.685 0 50 CCAA Cn1cc(C(=O)NCCOc2ccc(C(=O)O)cc2)cn1 538582631 NQJHPATWYJFDOM-UHFFFAOYSA-N 289.291 0.927 0 50 CCAA CN(C)c1noc(CSc2nnc(N)n2C)n1 252478552 APGPCVQQBRXEPO-UHFFFAOYSA-N 255.307 0.139 0 50 CCAA CO[C@H]1CN(C(=O)C2=NN(C(C)C)C(=O)CC2)C[C@H]1OC 372817072 FMUGHEYHOXXUTK-TXEJJXNPSA-N 297.355 0.245 0 50 CCAA Cc1nc(O)c2c(n1)CN(Cc1nnn(C(C)(C)C)n1)C2 931311874 NIJMLRAVQZEKAP-UHFFFAOYSA-N 289.343 0.748 0 50 CCAA CNc1ncccc1C(=O)N[C@H]1CCCCNC1=O 20998236 DCILVEIVFRZPSA-JTQLQIEISA-N 262.313 0.522 0 50 CCAA C[C@H]1CCCN(C(=O)CN2CCNCC2=O)[C@H]1C 237693909 HRJYMBQPXOFRFN-QWRGUYRKSA-N 253.346 0.065 0 50 CCAA O=C(CCc1ccccc1O)N1C[C@@H](O)[C@H](F)C1 1857693218 NGNUAKQKGPXBBD-ZYHUDNBSSA-N 253.273 0.866 0 50 CCAA O=C(O)c1ccccc1CCNC(=O)c1nccnc1O 2325786203 QWGFXEHXCVBTKN-UHFFFAOYSA-N 287.275 0.853 0 50 CCAA C[C@](CO)(NC(=O)c1nc[nH]c2nccc1-2)C(F)F 2325803519 LUKGPRWGMWIXIY-LLVKDONJSA-N 270.239 0.655 0 50 CCAA O=C(O)[C@H]1CN(C(=O)Cc2cscn2)C[C@@]12CCOC2 2325812750 DVDPMTYGDCFDEW-ZWNOBZJWSA-N 296.348 0.635 0 50 CCAA C[C@H]1CCN(C(=O)Cn2nnc3ccccc32)C[C@H]1O 1447012704 VXJCIZNLNBIXEZ-GXFFZTMASA-N 274.324 0.661 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)Cc2cccs2)CC1 1054662 SEXQKEKQYSXKLJ-UHFFFAOYSA-N 288.394 0.394 0 50 CCAA CCOCCS(=O)(=O)NC(=O)c1cccc(C)n1 111981258 DTHVRHMBZFDNIF-UHFFFAOYSA-N 272.326 0.486 0 50 CCAA CC(C)c1ccc(N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)nn1 1506420782 KCIKICHGXMAXAB-AOOOYVTPSA-N 274.324 0.651 0 50 CCAA Cc1cnn(CCC(=O)Nc2ccn([C@@H]3CCNC3)n2)c1 328645411 ZQGQENXPHROUGW-GFCCVEGCSA-N 288.355 0.951 0 50 CCAA CC[C@@H]1CC[C@H](C(=O)N2CCc3c(ncn(C)c3=O)C2)O1 328644828 ZKNMXKAMUWMGTE-ZWNOBZJWSA-N 291.351 0.623 0 50 CCAA Cc1cnn(CCC(=O)N2CC(=O)N(CC3CC3)C2)c1 333269172 HJPOVXSUMWPTHK-UHFFFAOYSA-N 276.340 0.620 0 50 CCAA Cc1oncc1CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 128176904 ZCNNRDCVXUFEIN-NSHDSACASA-N 292.383 0.768 0 50 CCAA CC(C)(C(=O)N1CCOC[C@H]1CC(=O)O)n1cccc1 72468975 ORLAANGTADJYKC-LLVKDONJSA-N 280.324 0.925 0 50 CCAA CC[C@H](C)CS(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1 152937512 QGDJWGBADUAECT-JTQLQIEISA-N 297.442 0.871 0 50 CCAA Cc1ccccc1CC1(NC(=O)[C@H]2C[C@@H](O)CN2)CC1 215268503 DBOZCYKXYXZSSH-ZIAGYGMSSA-N 274.364 0.909 0 50 CCAA COc1cc(CC(=O)N2CC3(CN(C)C(=O)O3)C2)ccn1 854962029 RPRLDJIAVCIURE-UHFFFAOYSA-N 291.307 0.296 0 50 CCAA Cc1cc[nH]c1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 284598877 HPSFJUIJRCDUHL-NWDGAFQWSA-N 263.341 0.868 0 50 CCAA O=C(NCCN1CCCCC1=O)c1cc(CO)ccn1 222763456 WHSHETRAKKZTGP-UHFFFAOYSA-N 277.324 0.316 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2ccc3nccn3c2)CCO1 178232446 IUOSDVRTCPVLME-SNVBAGLBSA-N 275.264 0.260 0 50 CCAA CCOC1CN(C(=O)c2sccc2S(N)(=O)=O)C1 615408837 GXJSAQIIPGUFAQ-UHFFFAOYSA-N 290.366 0.256 0 50 CCAA Cc1cccc2nc(CN(C)C(=O)CN(C)C(N)=O)[nH]c12 426398046 KXYOCDKDQXRVHI-UHFFFAOYSA-N 289.339 0.840 0 50 CCAA Cc1c(C(=O)N2CCN(Cc3nc[nH]n3)CC2)ccn1C 426590017 RGWUXMCOLSVQEE-UHFFFAOYSA-N 288.355 0.410 0 50 CCAA Nc1nc(CNC(=O)[C@@H]2CCOc3ccccc3C2)n[nH]1 95517060 ZEBBNHZDVUCXJG-SNVBAGLBSA-N 287.323 0.645 0 50 CCAA CCc1ncc(C(=O)NCCc2nc(C)cc(=O)[nH]2)cn1 95391860 AGSJHQLUXMQFJC-UHFFFAOYSA-N 287.323 0.403 0 50 CCAA CO[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1nnc[nH]1 294149601 HGSZPHLGZOSGRN-NXEZZACHSA-N 267.333 0.904 0 50 CCAA CN1CCC[C@@H](CNS(=O)(=O)N2CCCC2)C1 518666101 XQNNIGBNBNXTRI-NSHDSACASA-N 261.391 0.258 0 50 CCAA O=S1(=O)CC[C@H](c2nc(-c3cccnn3)no2)C1 95516585 HNUXQFCZWLBASC-ZETCQYMHSA-N 266.282 0.429 0 50 CCAA Cc1nnc2n1[C@@H](C)CN(C(=O)CCCn1cncn1)C2 96141449 PTORWQVVBQIPSC-JTQLQIEISA-N 289.343 0.562 0 50 CCAA CCc1cc(CCC(N)=O)nc(N2CCOCC2)n1 92046457 VJMUGNHESRSGMQ-UHFFFAOYSA-N 264.329 0.294 0 50 CCAA COC(=O)CNC(=O)c1c(-n2cnnn2)sc(C)c1C 524732881 WPEUTWALSXEUNI-UHFFFAOYSA-N 295.324 0.243 0 50 CCAA COC(=O)[C@H]1[C@H]2[C@H]3[C@H]4[C@H]([C@H]1C(=O)OC)[C@@H]1[C@@H]2[C@]1(C)[C@@H]43 253596768 VUBLRNDLIUQCSP-GULXBTIPSA-N 262.305 0.953 0 50 CCAA C[C@@H]1CCCN1S(=O)(=O)NCc1cnn(C)c1 184923810 VZSOPOKONLWUGI-SECBINFHSA-N 258.347 0.239 0 50 CCAA CCN1CCN(CC(=O)N[C@H]2C=CCCC2)CC1 343775027 TYYAPYNTHOIPJD-ZDUSSCGKSA-N 251.374 0.849 0 50 CCAA Nc1nc(CCCNC(=O)[C@@H]2C=CCN2)cs1 534661893 GSQCHFBYBPDUED-VIFPVBQESA-N 252.343 0.302 0 50 CCAA COCCCn1cnnc1CNC(=O)c1ccc(N)nc1 299776566 DCCAENZLQFOJAD-UHFFFAOYSA-N 290.327 0.222 0 50 CCAA CCCS(=O)(=O)N1CCOC[C@H](CN(C)C)C1 822992434 PJPNYPUHTBONHE-LLVKDONJSA-N 264.391 0.236 0 50 CCAA CC(C)n1cnnc1[C@H](C)NC(=O)Cn1cccnc1=O 827861402 HPLNVVVGIGVHRP-JTQLQIEISA-N 290.327 0.293 0 50 CCAA Cc1nn(C)cc1NC(=O)c1cnn(CCN(C)C)c1 866029416 NFADKMCMNSMOHH-UHFFFAOYSA-N 276.344 0.739 0 50 CCAA Cc1cccc(OCCNC(=O)Cn2ccn(C)c2=O)c1 952848067 BDCGTBOTUBRASX-UHFFFAOYSA-N 289.335 0.690 0 50 CCAA Cc1nc(C(=O)N[C@@H]2CCN(C)CC2(C)C)no1 1875298944 SZNPRVBWIDUXFF-SECBINFHSA-N 252.318 0.838 0 50 CCAA Cc1ccnc(C2CCN(CCc3nnnn3C)CC2)n1 878430220 ZKAPLAAIXKNRCD-UHFFFAOYSA-N 287.371 0.731 0 50 CCAA NCC(F)(F)CNC(=O)[C@@H]1NCCOc2ccccc21 1772230004 ZVBVBZFLEWZCRL-LLVKDONJSA-N 285.294 0.420 0 50 CCAA COC(=O)[C@@H](C)NC(=O)N1CC(=O)Nc2ccccc21 15971229 NBWIJMORKJPPME-MRVPVSSYSA-N 277.280 0.716 0 50 CCAA Cn1cc(CCC(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cn1 888077293 ZXSQGTSRDINBNV-OUCADQQQSA-N 289.339 0.040 0 50 CCAA O=C(Cn1cnnn1)N1COCC[C@@H]1c1ccccc1 888183394 BOBXYXDPKJRAGA-GFCCVEGCSA-N 273.296 0.621 0 50 CCAA C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1nnnn1C 1411573679 QQLDWKXFJMIJLY-DVVUODLYSA-N 272.312 0.586 0 50 CCAA Cc1nc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)n[nH]1 980671128 NHWWSRQYRXADRS-GFCCVEGCSA-N 293.371 0.326 0 50 CCAA COc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2)cc1F 277401311 DVKSJBRFVCYQRU-GXSJLCMTSA-N 268.288 0.173 0 50 CCAA Cc1noc(CNS(=O)(=O)c2ccccn2)n1 170613239 WBTMKASPKVYEEF-UHFFFAOYSA-N 254.271 0.252 0 50 CCAA Cc1cc(N2CCC[C@@](O)(c3cnn[nH]3)C2)nc(C)n1 583616881 QPZZOPBYPSASHI-ZDUSSCGKSA-N 274.328 0.700 0 50 CCAA C[C@H](c1nnnn1C)S(=O)(=O)c1cccc(O)c1 188943111 JJERELSZKFDXMU-SSDOTTSWSA-N 268.298 0.451 0 50 CCAA CN(C)CC(C)(C)NC(=O)[C@@H]1CCCCC(=O)N1 408520598 NMTFTLXRLYINOO-JTQLQIEISA-N 255.362 0.502 0 50 CCAA NC(=O)C[C@]1(O)CCCN(c2ccnc(C3CC3)n2)C1 643714338 QXPJCSVNAQGKPA-CQSZACIVSA-N 276.340 0.561 0 50 CCAA COC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc2c(F)cccc2[nH]1 111232298 BUGWQRSRCXVFGP-KCJUWKMLSA-N 293.298 0.810 0 50 CCAA CN(CCN1CCOCC1)c1cc(N2CCCC2)ncn1 192300999 QOGCIAPYNUSULK-UHFFFAOYSA-N 291.399 0.845 0 50 CCAA CCC[C@]1(CO)CN(c2ncnc3n[nH]cc23)CC[C@H]1O 1529144343 YIQCMZTYAXMISX-BXUZGUMPSA-N 291.355 0.703 0 50 CCAA Cc1nc(-c2cccnc2N(C)C)n(CC(=O)O)n1 1857671316 DQPVNCWDIIHZPN-UHFFFAOYSA-N 261.285 0.799 0 50 CCAA CC(C)(O)CCN1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857687363 UDXAMTBOHKPDRF-BXUZGUMPSA-N 270.373 0.110 0 50 CCAA O=C(O)CN1C[C@H](C(=O)O)[C@@H](c2ccccn2)C1 216952108 PBCMANRYQIKIIS-IUCAKERBSA-N 250.254 0.266 0 50 CCAA Cc1nc(CNS(=O)(=O)c2cnn(C(C)C)c2)no1 266241066 WDMWOTBPWKCUFH-UHFFFAOYSA-N 285.329 0.634 0 50 CCAA Cn1cc(C(=O)N[C@@H](CO)CC2CCCC2)c(O)nc1=O 253536897 MKJOPQHIKKSXJG-SNVBAGLBSA-N 295.339 0.157 0 50 CCAA Cn1cc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)nn1 408023392 RHQVIVZDZZBFHY-CYBMUJFWSA-N 293.371 0.028 0 50 CCAA C[C@@H]1CN(C(=O)NCc2nc(N(C)C)n[nH]2)CCCO1 637784596 FKSHTMMPLOYYMI-SECBINFHSA-N 282.348 0.191 0 50 CCAA Cn1cc([C@]2(C)CN(C(=O)[C@@H]3CCCCN3)CCO2)cn1 237713360 AXLZDFUKMWSYDO-ZFWWWQNUSA-N 292.383 0.636 0 50 CCAA Cc1noc(CCCC(=O)N[C@@H]2CCC(=O)NC2(C)C)n1 338691205 CVLFCLMHOYWRNQ-SNVBAGLBSA-N 294.355 0.874 0 50 CCAA NCCN(CCc1ccccc1)C(=O)[C@H]1CNCCO1 261760530 QFVAVYQQDIGBRX-CQSZACIVSA-N 277.368 0.005 0 50 CCAA Cn1cc(N2C(=O)[C@H]3Cc4ccccc4CN3C2=O)nn1 900234193 BRZPUFLMHBRLAH-LLVKDONJSA-N 283.291 0.709 0 50 CCAA CCc1cnc(N2CC[C@H](O)[C@@H](C(=O)O)C2)nc1 1704303317 HACMTVUSQXIIDP-UWVGGRQHSA-N 251.286 0.311 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)CCc1cccnc1 129319672 QOFCGUJRAFLMND-LBPRGKRZSA-N 278.308 0.716 0 50 CCAA COC[C@]1(CNc2cc(C)nc3ncnn23)CCCN1 261868895 YSEOVQXVZSGDRT-CYBMUJFWSA-N 276.344 0.613 0 50 CCAA O=C(O)c1cnc(N2CCC[C@@H](CO)CC2)cn1 262005528 RJHKTMMASMROGA-SECBINFHSA-N 251.286 0.774 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)CCO1 262087564 LENPNXRACXNENH-VIFPVBQESA-N 297.332 0.746 0 50 CCAA O=C([C@@H]1CC(F)(F)CN1)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 263184088 HBMPHXSZLOYNPM-OGBGREFGSA-N 272.295 0.619 0 50 CCAA Cn1cc(CNC(=O)C2(C)CNC2)c(C(F)(F)F)n1 423798464 JRSLAXKFZOVFTP-UHFFFAOYSA-N 276.262 0.665 0 50 CCAA Cc1cnc(C)c(N2CC[C@](O)(CN(C)C)C2)n1 713646816 DRRJZVGYBLIAHJ-ZDUSSCGKSA-N 250.346 0.596 0 50 CCAA C[C@H](C(=O)Nc1cnc2n1CCCC2)N1CCN(C)CC1 67673178 VJFDAUYCZZBGBG-GFCCVEGCSA-N 291.399 0.794 0 50 CCAA COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccn1 71027 RJXDJUGYKYSTCE-SNVBAGLBSA-N 272.268 0.530 0 50 CCAA CC1=C(C(N)=O)[C@H](c2ccc(O)cc2)N2NN=NC2=N1 71622 HTSFSWMTQBUBTH-JTQLQIEISA-N 272.268 0.750 0 50 CCAA Cc1c(C(=O)c2ccccc2)c(=O)n(C)c(=O)n1C 309921 YWUIFHYPUIILNG-UHFFFAOYSA-N 258.277 0.623 0 50 CCAA Cn1nnc2cc(C(=O)NC3=NCCS3)ccc21 619361 OYVBVMOPHCITII-UHFFFAOYSA-N 261.310 0.801 0 50 CCAA COC[C@@]12COC[C@@H]1CN(c1ncc3ncn(C)c3n1)C2 2356155989 QKXDHFARYUPNSF-HZMBPMFUSA-N 289.339 0.463 0 50 CCAA Nc1ncnc(Nc2cccc(Nc3ncnc(N)n3)c2)n1 3151912 GEWMKUHOKVGJEQ-UHFFFAOYSA-N 296.298 0.708 0 50 CCAA O=S1(=O)CC[C@@H](S(=O)(=O)N2CCCCCC2)C1 4194966 FQWRTAYXCRQAHY-SNVBAGLBSA-N 281.399 0.379 0 50 CCAA COc1ccccc1C(=O)Nc1c(C)[nH]c(=O)[nH]c1=O 4825033 MYJNMBULTLTNHN-UHFFFAOYSA-N 275.264 0.633 0 50 CCAA CCN(CC)CCS(=O)(=O)NCc1cscn1 225834736 YVIBDUOGNQBCKY-UHFFFAOYSA-N 277.415 0.904 0 50 CCAA NC(=O)CN1CCN(Cc2cccs2)[C@H](CCO)C1 106944162 OTKBWHYVJIJABH-LLVKDONJSA-N 283.397 0.102 0 50 CCAA COCCN1C[C@H](C(=O)Nc2scnc2C)CC1=O 351664058 DAECQWRVQGENAV-SECBINFHSA-N 283.353 0.885 0 50 CCAA CC(C)c1cc(=NCC2(C(N)=O)CCOCC2)[nH]cn1 603927510 NBMAUHHUALHAKY-UHFFFAOYSA-N 278.356 0.716 0 50 CCAA COC(C)(C)CNC(=O)c1cc(CN2CCOCC2)on1 67975044 YXMHMOVFQXOICD-UHFFFAOYSA-N 297.355 0.662 0 50 CCAA COCCNCCNC(=O)[C@@]1(C)CC1(Cl)Cl 152297184 NLBWOLVRSLKAKL-SECBINFHSA-N 269.172 0.923 0 50 CCAA O=C(NCCSc1ncn[nH]1)c1n[nH]c2c1CCC2 67966189 YHYGQOJNSLRODR-UHFFFAOYSA-N 278.341 0.539 0 50 CCAA C[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)C[C@H]1N(C)C 257366204 NFEUZXFNEOVLES-MGPQQGTHSA-N 284.400 0.981 0 50 CCAA Cc1nc(CN2CCN(Cc3cccnc3N)CC2)no1 215909777 JUCTXWAQZMJUST-UHFFFAOYSA-N 288.355 0.673 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2cnn(C)c2)N(C)C1 285373366 YOMZLMRNQNJGKI-RYUDHWBXSA-N 266.345 0.211 0 50 CCAA Cc1ccc(CC(=O)N(C)[C@H]2CCNC2=O)s1 334319356 UBHWLYDCCSXPJX-JTQLQIEISA-N 252.339 0.946 0 50 CCAA Cc1cc(C)n(CCCNC(=O)[C@H]2C[C@H]2C(=O)O)n1 132950706 GOFIAXAUDMHMLU-WDEREUQCSA-N 265.313 0.727 0 50 CCAA Nc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1C3)C2 71730373 ZYAITENYQVFAKM-WCABBAIRSA-N 286.335 0.449 0 50 CCAA CCN1CC2(CCN(C[C@H]3COCCO3)CC2)OC1=O 77522471 QAQJXLUTSXWANJ-LBPRGKRZSA-N 284.356 0.709 0 50 CCAA CCC[C@H](NC(C)=O)C(=O)NCCSc1cnn[nH]1 222828772 JIMTUANAINSQLT-VIFPVBQESA-N 285.373 0.318 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCCc1scnc1C 221376442 HNALHFPMJJETJR-QMMMGPOBSA-N 271.342 0.855 0 50 CCAA Nc1nc(Cl)cc(NCCN2CCOCC2)n1 40051219 VSDWRQOCAIEQKN-UHFFFAOYSA-N 257.725 0.456 0 50 CCAA CCCc1cc(C(=O)N2CC[C@@H](NC(C)=O)C2)no1 85532666 BKAGRPPJNVUBJO-SNVBAGLBSA-N 265.313 0.978 0 50 CCAA Cc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)n1C 288628769 WJDAZKJAWSWUHD-ZDUSSCGKSA-N 279.384 0.910 0 50 CCAA CCC(CC)N1C[C@H](C(=O)N2CC(O)C2)CC1=O 177990677 HUDIRAXTPNHJBN-SECBINFHSA-N 254.330 0.227 0 50 CCAA Cn1cc(C(=O)NCCNS(C)(=O)=O)c2ccccc21 44046561 HUMMZKWTDNPDCH-UHFFFAOYSA-N 295.364 0.457 0 50 CCAA Cn1nnnc1SCCC(=O)NC1CCCC1 48667642 ADSAUTMWJDQWJB-UHFFFAOYSA-N 255.347 0.751 0 50 CCAA CC[C@H](C(=O)N1CC[C@H](C(=O)O)C1)N1CCCC1=O 178261381 WPCRCAAMBFQVAO-VHSXEESVSA-N 268.313 0.321 0 50 CCAA CC1(C)SC[C@@H](C(=O)NCc2ccon2)NC1=O 97657312 UNAILUCHAXHDAO-QMMMGPOBSA-N 269.326 0.301 0 50 CCAA COc1ncc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cn1 426662503 UWVZPMYRTISVRG-GXSJLCMTSA-N 262.313 0.261 0 50 CCAA COc1ccc2nc(N3C[C@H](O)[C@H](O)C3)c(C)nc2c1 292941870 BFXZBAIRLIYKLS-BETUJISGSA-N 275.308 0.489 0 50 CCAA O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCc2ncccc2C1 91416643 PXVKDGXCUPKOOG-LBPRGKRZSA-N 285.347 0.977 0 50 CCAA Cc1cc(N2CCC3(CC2)OCCC[C@H]3O)nc(N)n1 95355583 CRWCSFQXSJUAMK-LLVKDONJSA-N 278.356 0.878 0 50 CCAA COc1c[nH]c(C(=O)Nc2n[nH]c(C(C)C)n2)cc1=O 524733156 ZYJPYQKXBVBQND-UHFFFAOYSA-N 277.284 0.877 0 50 CCAA Cn1nccc1C(=O)NCCOc1ccc(C(=O)O)cc1 538583698 ZUVMJMFYOBMDDU-UHFFFAOYSA-N 289.291 0.927 0 50 CCAA Cc1cc(=O)n(CCN(C)CCc2cnn(C)c2)c(O)n1 253536645 JFGRQDQPKUKBHY-UHFFFAOYSA-N 291.355 0.165 0 50 CCAA Cc1ccc(C(=O)NCc2noc(C(N)=O)n2)c(C)n1 534664717 XRQXRCKPPDEPHX-UHFFFAOYSA-N 275.268 0.110 0 50 CCAA CC(C)C(=O)N[C@@H](C)c1nnc2n1CCNCC2 299763889 GTAHWSIJOVXUTL-VIFPVBQESA-N 251.334 0.257 0 50 CCAA Cc1nnc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)s1 299774153 BJBFNVZSXMXYMM-QWRGUYRKSA-N 292.368 0.784 0 50 CCAA C[C@H]1CN(CC(=O)NCCSc2cnn[nH]2)C[C@@H](C)O1 299795545 NEPBDEKMEDVADC-AOOOYVTPSA-N 299.400 0.122 0 50 CCAA N[C@@H](CO)C(=O)NC1(CN2CCCCC2)CCCCC1 670468726 UKEXGOAEKXCASQ-ZDUSSCGKSA-N 283.416 0.611 0 50 CCAA Cc1cc(C)n(CCN(C)Cc2cc(O)nc(O)n2)n1 670437034 NCGLPSBDIMXQJK-UHFFFAOYSA-N 277.328 0.833 0 50 CCAA CCc1cc(C)c(C(=O)N[C@H]2CNC[C@H]2OC)o1 1548448022 FXNWUBBVQMOYDC-WDEREUQCSA-N 252.314 0.867 0 50 CCAA O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@H]2O)c1ncc[nH]1 1875307561 QMZKBTQPQOLIOY-OLLHRSLZSA-N 271.342 0.238 0 50 CCAA CC(C)(C)c1noc(C2(CS(C)(=O)=O)COC2)n1 1875347160 JIPUETXQJRMVDZ-UHFFFAOYSA-N 274.342 0.680 0 50 CCAA C=CC(=O)NCC(=O)Nc1cccc(NC(C)=O)c1 1875371055 NGYMYOLZTAPNSP-UHFFFAOYSA-N 261.281 0.886 0 50 CCAA CN1CCN(C(=O)N[C@@H]2CCCc3n[nH]cc32)CC1 1875322924 NXYVMIWWJYXPSZ-LLVKDONJSA-N 263.345 0.744 0 50 CCAA Cc1ncc(CC(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)o1 1875311065 LVMOQRGIONWUIO-ZRUFSTJUSA-N 264.281 0.751 0 50 CCAA O=S(=O)(Cc1ccc2nonc2c1)NC[C@@H]1CCCO1 1875288417 BJJKTEQIJNJGKX-JTQLQIEISA-N 297.336 0.821 0 50 CCAA CNS(=O)(=O)CCn1cc([C@H]2CCCCO2)nn1 1875282459 FTIYBPJFTOREOJ-SNVBAGLBSA-N 274.346 0.069 0 50 CCAA CCOCCN1CCC(CNC(=O)c2cnccn2)CC1 952983839 WKKWMNWTUQRQIQ-UHFFFAOYSA-N 292.383 0.955 0 50 CCAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cc(C2CC2)[nH]n1 887024783 YCDHQJMVXHADAZ-CHWSQXEVSA-N 291.351 0.947 0 50 CCAA O=C(CC[C@H]1CCO1)NCc1cccc(CO)n1 1775988105 JEEJENIRIZKJID-LBPRGKRZSA-N 250.298 0.759 0 50 CCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccoc1 1565530825 LLAQNNLUHOBGMA-USZNOCQGSA-N 264.281 0.301 0 50 CCAA C[C@]1(O)CCN(c2nc3c(cc2C(=O)O)CCC3)C[C@H]1O 1565525482 UWHVLCJCYCRCMO-DOMZBBRYSA-N 292.335 0.591 0 50 CCAA C[C@]1(O)CCN(C(=O)Cc2ccc(O)c(F)c2)C[C@H]1O 1565516824 RCSLQDJZCRKNQX-OCCSQVGLSA-N 283.299 0.418 0 50 CCAA C[C@@H]1CN(CC(=O)NCC2CCCCC2)C[C@H]1C(N)=O 408473829 LFBQGFJFNJTCRU-DGCLKSJQSA-N 281.400 0.736 0 50 CCAA COC(=O)CN(C)[C@H](c1ccccc1)c1nc[nH]n1 408524026 PNBGRGMKOOSZGH-GFCCVEGCSA-N 260.297 0.999 0 50 CCAA NC(=O)c1cn(Cc2nc(Cc3ccccc3)no2)nn1 746467315 FDKPQHCQEAKIHN-UHFFFAOYSA-N 284.279 0.399 0 50 CCAA CN(C)c1ccc(C(=O)N2CCNC[C@@H]2C(F)F)nc1 564994828 IKBJAIVPRDJGRS-LLVKDONJSA-N 284.310 0.827 0 50 CCAA O[C@]1(c2cnn[nH]2)CCCN(CCc2ccccn2)C1 794048483 LQIVMRKZIHVCKG-CQSZACIVSA-N 273.340 0.726 0 50 CCAA Cc1nccn1CC(=O)Nc1cnn2c1NCCC2 1506417780 SYKLHSNVPPRUIY-UHFFFAOYSA-N 260.301 0.842 0 50 CCAA Cc1nc(O)nc(C)c1CCC(=O)N1CC2(CN(C)C2)C1 1857700635 YPUQEQZTSYCWHL-UHFFFAOYSA-N 290.367 0.506 0 50 CCAA Nc1cc(N2C[C@H](O)[C@H](Cc3ccncc3)C2)ncn1 1704330857 HMGIEKXOVOUBAT-NEPJUHHUSA-N 271.324 0.494 0 50 CCAA Cc1cc(CN(C)C(=O)c2cccnc2C(N)=O)no1 358622666 BWFWRANNZNQKOF-UHFFFAOYSA-N 274.280 0.749 0 50 CCAA NS(=O)(=O)C[C@@H]1CCCCN1CCC1(O)CCC1 931233194 XVOUJKSHOOQXNB-NSHDSACASA-N 276.402 0.435 0 50 CCAA COCC[C@@H](CO)NC(=O)C[C@H](NC1CC1)C(F)(F)F 1615548866 IEHYHXKQDREQLA-UWVGGRQHSA-N 298.305 0.573 0 50 CCAA CC(=O)NCCN(C)C(=O)[C@H]1CC[C@@H](C(F)(F)F)N1 1615548322 NTXDBGAYUIVWGR-BDAKNGLRSA-N 281.278 0.264 0 50 CCAA Cc1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)nn1C 261559488 SMWPRKASVZQFSO-VIFPVBQESA-N 267.285 0.044 0 50 CCAA Cn1nc(C2CC2)cc1S(=O)(=O)N1C[C@@H]2CC[C@]2(N)C1 1615057474 HJQDFFIQIGSZRT-GWCFXTLKSA-N 296.396 0.409 0 50 CCAA O=S(=O)(CC1CCCC1)N1C[C@H]2CNC[C@@]2(CO)C1 1772710945 UGUBISOABGOUDZ-OLZOCXBDSA-N 288.413 0.020 0 50 CCAA COc1cc(S(=O)(=O)NCCO)c(OC)cc1C 11566252 KYIHJXZVBDDYNU-UHFFFAOYSA-N 275.326 0.283 0 50 CCAA O=C1C[C@H](N2CCC(C(=O)N3CCCCC3)CC2)C(=O)N1 18198376 CSXDMJLTRAAJLN-LBPRGKRZSA-N 293.367 0.126 0 50 CCAA CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)CC)CC1 262481 YFSKKGCANSBGHO-JTQLQIEISA-N 276.402 0.963 0 50 CCAA CC(C)[C@@]1(O)CN(CCN2CCCC2=O)C[C@@H]1C 248150378 BDSBNFBVDNNHJW-JSGCOSHPSA-N 254.374 0.948 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)NC1[C@H]2CCC[C@H]1CC(N)C2 262285392 OEEZZSYOVNIOGY-RRRYPMDASA-N 281.400 0.386 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@@H]1CCC[C@H](N)C1 237134908 TULLAPYRDNQTST-NEPJUHHUSA-N 267.373 0.585 0 50 CCAA CC(C)COCCN1CC[C@H]2OCC(=O)N[C@H]2C1 253398455 QUQJPSSGSHAIFK-NWDGAFQWSA-N 256.346 0.248 0 50 CCAA COCc1ccccc1CNC(=O)[C@H]1NCCO[C@@H]1C 261998462 UHALONRLPRWGBZ-RISCZKNCSA-N 278.352 0.826 0 50 CCAA COCCOC1CCN(C(=O)c2ncn[nH]2)CC1 299783381 YSXMBGPGFKCTIU-UHFFFAOYSA-N 254.290 0.072 0 50 CCAA O=S(=O)(CC1CCCC1)NC[C@@]1(O)CCCNC1 426399401 KZUKRXDPYWWQSH-GFCCVEGCSA-N 276.402 0.211 0 50 CCAA CCCC[C@H](CC(=O)O)NC(=O)Cn1cccnc1=O 426519221 ILSAGTZTKXDKSY-SNVBAGLBSA-N 281.312 0.393 0 50 CCAA CN(CC[C@H]1CCS(=O)(=O)C1)CC1(C)COC1 670437494 INCCQLZALDGDDZ-NSHDSACASA-N 261.387 0.780 0 50 CCAA CN(CCS(N)(=O)=O)C(=O)c1ccc(F)c(F)c1 719429027 FPTAHBRDDVCZDQ-UHFFFAOYSA-N 278.280 0.325 0 50 CCAA CC(=O)N1CCc2cc(NC(=O)c3cn(C)[nH]c3=N)ccc21 2325762623 ZRLXGYUZXIYETL-UHFFFAOYSA-N 299.334 0.994 0 50 CCAA COc1cc(C(=O)N[C@@H](C)C(=O)O)cc(OC)c1OC 3681327 LYDVPBQLBMIUQN-ZETCQYMHSA-N 283.280 0.915 0 50 CCAA biogenic NC(=O)CCn1ccc(NC(=O)c2cccnc2)n1 117703281 XXSHNKWMSOHITK-UHFFFAOYSA-N 259.269 0.406 0 50 CCAA COc1cc(C)c(C)cc1S(=O)(=O)N1CC(O)C1 170278562 CSLOWNZRMMYHRY-UHFFFAOYSA-N 271.338 0.677 0 50 CCAA CCN1CCN(S(=O)(=O)CC)C[C@@H]1c1ncc[nH]1 328623710 JIDZRQBKGQMLDK-SNVBAGLBSA-N 272.374 0.438 0 50 CCAA O=C1CNC(=O)N1Cc1nc(-c2cccs2)no1 32519430 BVLNLKCABHRKQH-UHFFFAOYSA-N 264.266 0.850 0 50 CCAA CN1C[C@@H]2CC[C@H]1CN(Cc1cn[nH]c1C(=O)O)C2 215580411 OSYUGGMAASRAKZ-ONGXEEELSA-N 264.329 0.634 0 50 CCAA CCC[C@](C)(O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 331655912 OHFZVWNGGJQBKW-ZDUSSCGKSA-N 297.355 0.080 0 50 CCAA COCCC[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c(O)n2)C1 77322939 PLPHLIRZVQVTLN-JTQLQIEISA-N 295.339 0.754 0 50 CCAA COC[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@@H](C)O1 284547714 DIPURVUEFLKMNS-YPMHNXCESA-N 297.355 0.199 0 50 CCAA Cc1nc(C)c(CC(=O)N2CCOC[C@H](CO)C2)s1 77300191 AFTJPJHFGIQDLX-NSHDSACASA-N 284.381 0.770 0 50 CCAA Cn1ccnc1C(=O)N1CCCO[C@H](CN2CCCC2)C1 216061019 TVJKJJUGZUNCAN-CYBMUJFWSA-N 292.383 0.747 0 50 CCAA Cc1csc(=O)n1CCn1ccnc1S(C)(=O)=O 177321234 DRHGMARVJOKTJU-UHFFFAOYSA-N 287.366 0.518 0 50 CCAA Cc1cnc(N)nc1N1CCCO[C@H](Cn2cccn2)C1 91625925 YJDAFMKPXICDRY-LBPRGKRZSA-N 288.355 0.859 0 50 CCAA NCCOc1ccc(F)cc1C(=O)NCCc1cnn[nH]1 426667291 AVZSZSMGJSAKBS-UHFFFAOYSA-N 293.302 0.254 0 50 CCAA CCN1CCC[C@](C)(C(=O)NCCCn2cnnc2)C1 95355968 OXLWJCSYRBHALQ-AWEZNQCLSA-N 279.388 0.906 0 50 CCAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cccc2nccnc12 97713590 YGUXXXJAZDFZPE-SECBINFHSA-N 289.316 0.670 0 50 CCAA Cc1ncnc(N2CC[C@]3(CC(=O)NC3=O)C2)c1C 95365268 KBBWONUVIGEUGE-ZDUSSCGKSA-N 260.297 0.336 0 50 CCAA O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cnn[nH]1 97831080 ZAWUMYZZXAVLPP-NSHDSACASA-N 275.312 0.965 0 50 CCAA NC(=O)c1nc(CNc2nccc(-c3cccnc3)n2)no1 97307162 GCLIEHDNNXWQJK-UHFFFAOYSA-N 297.278 0.633 0 50 CCAA Cn1cc(-c2nc(CC(N)=O)nn2Cc2ccccc2)cn1 96142251 CYTBTFDMSMYQHU-UHFFFAOYSA-N 296.334 0.755 0 50 CCAA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2cnc(O)cn2)CC1 247937619 HMRKOPDFFCQUCQ-MGCOHNPYSA-N 292.339 0.464 0 50 CCAA Cn1cc(CCNC(=O)CCCN2CCCC2=O)cn1 252508701 XRBXEYNSOFEGOQ-UHFFFAOYSA-N 278.356 0.481 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1cncc(F)c1 534659726 WIPBZKYOLYFDMW-STQMWFEESA-N 295.314 0.050 0 50 CCAA CC(C)Oc1cccc(CNC(=O)NCC(N)=O)c1 534593083 LHXUUSORILXJQZ-UHFFFAOYSA-N 265.313 0.758 0 50 CCAA Cc1cc(C)n(CCCC(=O)NCCn2cncn2)n1 534583378 ZRKGOWRLNLKANT-UHFFFAOYSA-N 276.344 0.688 0 50 CCAA CC(C)(C)c1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2)[nH]n1 299774927 IMHYFNARFCAMEC-ZJUUUORDSA-N 266.345 0.046 0 50 CCAA CC(=O)N1CCO[C@H](CN=c2cc(C)[nH]c(C)c2)C1 584902214 GTADCPFWYKKTCY-CQSZACIVSA-N 263.341 0.780 0 50 CCAA COc1cccc2c1OC[C@H](NC(=O)c1[nH]nnc1C)C2 584891665 QKUJXUWKWQIEAU-SNVBAGLBSA-N 288.307 0.855 0 50 CCAA CN(C)c1ccc(CCNC(=O)NCc2nn[nH]n2)cc1 584902245 MLRKPVVTMCRWTP-UHFFFAOYSA-N 289.343 0.308 0 50 CCAA O=C(O)[C@@H]1CC[C@H](C(=O)O)N(C(=O)C[C@H]2CCCCO2)C1 585134508 XFBZUHQHHWUBBP-GMTAPVOTSA-N 299.323 0.722 0 50 CCAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)c1cnc(O)[nH]1)C2 584899477 YNHRPJPWMSXSFC-UWVGGRQHSA-N 264.329 0.672 0 50 CCAA CCCn1cnnc1CN(C)Cc1nc(C(=O)NC)no1 670457254 VSDAJWLGUFZJHO-UHFFFAOYSA-N 293.331 0.063 0 50 CCAA CSCC(=O)N1CCC2(CC1)C(=O)NCCCN2C 670450645 KPQMVLPELCVFNB-UHFFFAOYSA-N 285.413 0.162 0 50 CCAA CCCn1cnnc1CNC(=O)c1ccc(=O)n(C)c1 670473738 ACDBXXDNNQGFLF-UHFFFAOYSA-N 275.312 0.317 0 50 CCAA Cc1cccc2c1C(=O)N(CCN(C)C)CC(=O)N2 584884722 DJJMTXSAAQCBRH-UHFFFAOYSA-N 261.325 0.951 0 50 CCAA Cc1cnccc1C(=O)NC1CCS(=O)(=O)CC1 670445130 ONBRAVKWWFCJOJ-UHFFFAOYSA-N 268.338 0.697 0 50 CCAA O=C(N=c1[nH][nH]c2ncccc12)c1ccc2c(c1)CNC2=O 1875344074 DBGKSQHSOSHMMM-UHFFFAOYSA-N 293.286 0.876 0 50 CCAA C[C@H](ONC(=O)[C@H]1CCCNC1=O)c1ccncc1 1875297883 GZAHOWBIRAXPCL-ONGXEEELSA-N 263.297 0.717 0 50 CCAA CN(C)CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2)c1 952978701 ZEZBEGPFVZBAFD-ZDUSSCGKSA-N 290.367 0.877 0 50 CCAA O=C1CC[C@]2(C(=O)O)N1c1ccccc1-c1nnnn12 952963175 DGSSPIQYJUIDSR-LBPRGKRZSA-N 271.236 0.218 0 50 CCAA O=C(N[C@H](CO)c1ccccc1)[C@]1(F)CCNC1 888096303 SJFJLRSWCWAOIN-YPMHNXCESA-N 252.289 0.538 0 50 CCAA CCOC(=O)C(F)(F)C1(O)CCN(C(=O)N(C)C)CC1 132924375 VTVMDVCKQBEECO-UHFFFAOYSA-N 294.298 0.693 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1 16602418 CMTOYNIIIQYFLQ-UHFFFAOYSA-N 260.359 0.280 0 50 CCAA CC(C)Cn1cc(CN2C[C@H](n3ccnn3)[C@H](N)C2)cn1 1775957965 VPKIENZJTHAXDZ-KGLIPLIRSA-N 289.387 0.515 0 50 CCAA Cc1nc2ccc(NC(=O)NCC3=NOCC3)cn2n1 1775991219 QMWGBUXPPDGQGK-UHFFFAOYSA-N 274.284 0.936 0 50 CCAA Cn1nnn(CCOc2ccc(F)c(Cl)c2)c1=O 901583102 PUSRNWNXYPMZPS-UHFFFAOYSA-N 272.667 0.848 0 50 CCAA CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCO1 247498763 DVNIACFASZKIDU-GHMZBOCLSA-N 290.385 0.096 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ncccc1O 701383730 RPMMZDWKOKBBBE-ZDUSSCGKSA-N 280.280 0.493 0 50 CCAA C[C@@]1(C(N)=O)CCCCN1CC(=O)NC1CCOCC1 185946774 JJSGOGDOHOXCFR-AWEZNQCLSA-N 283.372 0.012 0 50 CCAA CSCCC(=O)N1CCN(C)[C@@H](c2nccn2C)C1 276803123 WHYWHHIAOHQNMB-LLVKDONJSA-N 282.413 0.988 0 50 CCAA CC1(C)COCCN1CCNC(=O)[C@H]1CCCO1 170860755 UNIPJAKXCZBDOK-LLVKDONJSA-N 256.346 0.392 0 50 CCAA CC(C)(C)OC(=O)[C@@H]1C[C@H](n2ccnn2)[C@H](N)C1 675050847 UIIHLQIYHBLSOW-AEJSXWLSSA-N 252.318 0.898 0 50 CCAA C[C@H](O)[C@H]1CN(C(=O)N[C@@H]2CCCn3nccc32)CCO1 637758663 DSJSKARFYIETIF-DMDPSCGWSA-N 294.355 0.509 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1ccc2nncn2c1 212647703 QVNYWKFNNFDYKV-SECBINFHSA-N 260.253 0.419 0 50 CCAA C=CC(=O)NC[C@H](N1CCOCC1)C(F)(F)F 585091676 LYJGFNARNMCRQN-QMMMGPOBSA-N 252.236 0.552 0 50 CCAA O=C(c1cccc(Cl)c1)N1C[C@@H](O)[C@H](n2ccnn2)C1 585124351 JPOYULJVHRYWFN-VXGBXAGGSA-N 292.726 0.990 0 50 CCAA C[C@@H]1C[C@@H](CNC(=O)NCC2(O)CCOCC2)CCO1 408085736 CGAXDRXAPFIMNA-NEPJUHHUSA-N 286.372 0.642 0 50 CCAA CCn1cncc1S(=O)(=O)N1CC(C)(OC)C1 408104546 FIXBOIRINFRYCT-UHFFFAOYSA-N 259.331 0.312 0 50 CCAA O=C(CCC1CCC1)NS(=O)(=O)[C@@H]1CCOC1 408489257 QZARCYQZZIAUKY-SNVBAGLBSA-N 261.343 0.802 0 50 CCAA COc1ncccc1NC(=O)CN1CCCC[C@H](O)C1=O 644316139 OLMDWAFRIVQYQU-NSHDSACASA-N 293.323 0.402 0 50 CCAA CC(C)COC[C@@H](O)Cn1nnc(-c2ccco2)n1 193411181 IZTHBPYIHHYDMX-JTQLQIEISA-N 266.301 0.967 0 50 CCAA CN1CC[C@@H](C(=O)NCc2cccc3c2OCO3)CC1=O 194598524 RPEQFCGNHJTACD-SNVBAGLBSA-N 290.319 0.900 0 50 CCAA Cc1ncccc1CN1CCC[C@@](O)(c2cnn[nH]2)C1 794011399 ZQQVMUXIRWCKPB-AWEZNQCLSA-N 273.340 0.992 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 1506398939 IDZBULPLZAEXGB-SNVBAGLBSA-N 264.329 0.327 0 50 CCAA CC1(C(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)CC1 1857706917 BMUSVHRLYWDLQZ-IINYFYTJSA-N 266.341 0.276 0 50 CCAA CO[C@@]1(C)C[C@@H](NC(=O)[C@H]2CSCN2)C1(C)C 121683598 OWVILKJLRWTDEO-LNLATYFQSA-N 258.387 0.969 0 50 CCAA Cc1ccsc1-c1cn(CCS(N)(=O)=O)nn1 1875281859 AXINDFOGQIWMLM-UHFFFAOYSA-N 272.355 0.604 0 50 CCAA O=C(CCC(=O)N1C[C@H](O)[C@@H](F)C1)Nc1cccc(O)c1 1615697919 IZNUUUDORLRVDZ-RYUDHWBXSA-N 296.298 0.652 0 50 CCAA CC(C)N1CCC(CC(=O)N2CC[C@@H](O)[C@@H](O)C2)CC1 1615746978 ZCRSBBFREVJDTD-KGLIPLIRSA-N 284.400 0.451 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@@H]2C[C@H]3CO[C@H](C)CN3C2)n1 1857716543 CXIZCLRIJIRNMW-MCIONIFRSA-N 292.383 0.478 0 50 CCAA CCc1nnc(CN2CCC[C@@]2(COC)C(=O)NC)o1 643825889 AAOIQFVOOFLYNB-CYBMUJFWSA-N 282.344 0.359 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(CO)cc1 643829042 OXBVQTNPQREYHZ-INIZCTEOSA-N 292.379 0.906 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](Cn3cncn3)C2)C1 237954330 VQOHVSJYNIFELU-FRRDWIJNSA-N 277.372 0.644 0 50 CCAA CC(=O)N1CC[C@H](C(=O)N2C[C@H](C)N[C@H](C)C2)C1 252656475 GMDBUOYORHWFCL-UMNHJUIQSA-N 253.346 0.064 0 50 CCAA O=C(CO)N[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1 583621086 CKYITWHPMNWGAI-WFASDCNBSA-N 287.319 0.811 0 50 CCAA Cc1cncc(C(=O)N2CCC([C@@H](O)CO)CC2)c1 1772710157 MJJKQNYGEGPXDG-ZDUSSCGKSA-N 264.325 0.595 0 50 CCAA Cn1ncnc1C(=O)NC[C@@H]1CCCN1CC(F)(F)F 902969159 AAULPDXYCBBEMI-QMMMGPOBSA-N 291.277 0.572 0 50 CCAA O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)N1CCC(c2nnc(O)o2)CC1 908010504 CNOGCCZUUYCMFH-IEBDPFPHSA-N 291.307 0.706 0 50 CCAA Cc1cccn2cc(C(=O)NC[C@H](O)Cn3ccnn3)cc12 822442293 GUAUICQZGPQERK-ZDUSSCGKSA-N 299.334 0.630 0 50 CCAA NCc1cc(C(=O)N[C@@H]2CCCC[C@H]2CO)ccn1 231793515 GNSMQUYEAMHWGX-WCQYABFASA-N 263.341 0.821 0 50 CCAA CCn1cnc(Cl)c1CNC[C@@H]1CN(C)CCO1 952964625 URIJNZUZNZXYFW-SNVBAGLBSA-N 272.780 0.977 0 50 CCAA C[C@@H](NC(=O)C1=C2CCN=C2NC=C1)C1CCNCC1 2325768716 BYPLQYRHGXZKSS-SNVBAGLBSA-N 274.368 0.706 0 50 CCAA CC(C)n1ncc(C(=O)N2[C@H](C)SC[C@@H]2C(=O)O)n1 2325820567 AVSWGAGFOYBGBB-IONNQARKSA-N 284.341 0.847 0 50 CCAA CN1C[C@](C)(CNC(=O)Nc2nccs2)C1=O 2325886041 BHYFIIFUFPKIIS-JTQLQIEISA-N 254.315 0.743 0 50 CCAA CNC(=O)C1(C(=O)N2C[C@H](COC)OC(C)(C)C2)CC1 343742817 ZWRKDOUEBNTKCH-SNVBAGLBSA-N 284.356 0.165 0 50 CCAA CCOC(=O)N1CCC(N2CCC[C@@H](C(N)=O)C2)CC1 757867 YWHXSBFFNPLELV-LLVKDONJSA-N 283.372 0.805 0 50 CCAA CCCOc1ccc(C(C)=O)cc1CC(C(N)=O)C(N)=O 2302567 VITBKNMUKWVOIK-UHFFFAOYSA-N 292.335 0.807 0 50 CCAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(c4n[nH]c(=N)s4)C[C@@H]13)O2 2356154466 WYPMCHSUDMLOAG-QYTUQVAYSA-N 295.412 0.496 0 50 CCAA O=C1NC[C@H]2CN(C(=O)c3cc(-c4ccccn4)[nH]n3)C[C@@H]12 2356166668 IGVDJAIAPXDODO-VHSXEESVSA-N 297.318 0.290 0 50 CCAA Cc1nccn1CCCN1CCO[C@@H](c2nnnn2C)C1 2356168414 CGGZBVFNCPLZRT-GFCCVEGCSA-N 291.359 0.179 0 50 CCAA CC(C)(C)OC(=O)NCCNC(=O)/C=C\C(=O)O 107127296 INGPNYUYNRFJBP-PLNGDYQASA-N 258.274 0.268 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cnn2cccnc12 282228037 UWBMMKIIAGIONJ-WCBMZHEXSA-N 273.296 0.126 0 50 CCAA CN1CCN(C(=O)[C@@H]2CCCOC2)C[C@@H]1c1ncc[nH]1 328621503 HTKCTJADWRIZPL-VXGBXAGGSA-N 278.356 0.651 0 50 CCAA CN(CCNC(=O)N1CC[C@@H](O)C(C)(C)C1)C1CC1 331524829 QHRCSMBXRXQOPP-GFCCVEGCSA-N 269.389 0.883 0 50 CCAA O=C(NC[C@@H]1CCCS1(=O)=O)c1cccnc1S 153239099 XQULGUCJEOWPBI-QMMMGPOBSA-N 286.378 0.677 0 50 CCAA Nc1n[nH]c(C(=O)NCc2n[nH]c3c2CCC3)c1Cl 215837034 GRILUOBGLDTJTH-UHFFFAOYSA-N 280.719 0.787 0 50 CCAA O=C(CN1C(=O)COc2cccnc21)NCc1ccco1 75304001 YNKGCGJESFTDGR-UHFFFAOYSA-N 287.275 0.716 0 50 CCAA CCCn1cc(CN2CCS(=O)(=O)CC2)c(C)n1 215754885 HVUUSRMYEFKZPP-UHFFFAOYSA-N 271.386 0.832 0 50 CCAA C[C@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)[C@H]1CN 237711547 FKNFLRAIFHDWTR-CABZTGNLSA-N 278.356 0.323 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)CCN1CCCC1=O 238062342 ONQDPVLEVBPCSW-VIFPVBQESA-N 254.286 0.075 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 284660710 WRBBTAFCISEIKQ-QWHCGFSZSA-N 292.383 0.582 0 50 CCAA C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCNC(=O)C2)CC1 336443108 JAJFAUIKRQFJAM-MNOVXSKESA-N 281.356 0.030 0 50 CCAA CN1CC2(CCN(C(=O)CCn3cncn3)CC2)CC1=O 77455135 NHDGLCAOFPUTDR-UHFFFAOYSA-N 291.355 0.139 0 50 CCAA Nc1nc(CNC(=O)c2ccc3c(c2)OCO3)n[nH]1 219022043 WMNMMBORAPTAEL-UHFFFAOYSA-N 261.241 0.046 0 50 CCAA Cc1ccc2nc(CNC[C@@]3(O)CCNC3)cn2c1 77486584 KTHATJIUJVQJAY-CQSZACIVSA-N 260.341 0.457 0 50 CCAA Cc1nnc(CCNC(=O)[C@@H]2CC(=O)N(C)C2(C)C)s1 218971006 ZKZHJHRKSFYLOJ-VIFPVBQESA-N 296.396 0.762 0 50 CCAA C[S@@](=O)C1(CNS(=O)(=O)CC2CCC2)CC1 328611950 OWSUEPDPWMBYLA-OAHLLOKOSA-N 265.400 0.617 0 50 CCAA O=C(N[C@H]1CCCN(c2cnccn2)C1)c1cnco1 221268507 OJNRSLZZGXWHMY-JTQLQIEISA-N 273.296 0.863 0 50 CCAA NC(=O)C1(C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 82121393 WKERYCMGGLFAHO-UHFFFAOYSA-N 287.319 0.127 0 50 CCAA Cn1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c2ccccc21 180219647 PDSQNGSIEMDMFQ-CYBMUJFWSA-N 287.319 0.505 0 50 CCAA CCN(C(=O)Nc1c(OC)nn(C)c1C)[C@H]1COC[C@@H]1O 95502556 JIKQRHBEINNVLH-UWVGGRQHSA-N 298.343 0.351 0 50 CCAA O=C(NCCCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 426728321 SZVGBBQBJAFIHQ-GFCCVEGCSA-N 282.365 0.565 0 50 CCAA O=C(NCCc1c[nH]cn1)[C@H]1CCC(=O)N(C2CC2)C1 91691004 VWWCQZCSMNJXQX-JTQLQIEISA-N 276.340 0.469 0 50 CCAA COCCCN1CC[C@@H](c2nc3c([nH]2)CCCNC3=O)C1 95496596 UMJDJNLKTVRLQC-LLVKDONJSA-N 292.383 0.912 0 50 CCAA Nc1ccnc(CN2CCCC[C@H]2c2nc[nH]n2)n1 182734747 OXEVTHSPVLYPPO-VIFPVBQESA-N 259.317 0.904 0 50 CCAA Cc1nc2ccc(CC(=O)NCCn3cncn3)cc2[nH]1 534636970 GZFUOKKGKFLFHQ-UHFFFAOYSA-N 284.323 0.822 0 50 CCAA Cc1nonc1C(=O)NCC1(CN2CCN(C)CC2)CC1 299789385 YXINVIYMZURGMI-UHFFFAOYSA-N 293.371 0.135 0 50 CCAA CC(C)[C@@H](NC(=O)CCCn1cnnn1)c1nccn1C 299792925 GFVVTPYYSMPVCO-GFCCVEGCSA-N 291.359 0.700 0 50 CCAA O=C(O)CCN1CCN(C(=O)c2ccc(F)c(O)c2)CC1 299757225 JTJVOZSPDAOMGA-UHFFFAOYSA-N 296.298 0.764 0 50 CCAA O=C(CNC[C@H]1CCCO1)NC[C@H](O)c1ccccc1F 269258303 YDVBHFBEXPMNHF-RISCZKNCSA-N 296.342 0.744 0 50 CCAA N[C@@H](CC(=O)O)C(=O)NCC1CCN(C2CCCC2)CC1 827530306 ULIAFLCRRIACIR-ZDUSSCGKSA-N 297.399 0.559 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCC(C(C)(C)O)CC1 584887329 OCRSXVGGNXRPJY-UHFFFAOYSA-N 252.318 0.736 0 50 CCAA CC(C)Cn1cncc1CNS(=O)(=O)N1CCCC1 670450737 IAHWZARNLLKESH-UHFFFAOYSA-N 286.401 0.969 0 50 CCAA CC[C@@H](NC(=O)NCc1nn[nH]n1)c1ncc(C)[nH]1 670469141 JFVASZMLWVCILN-SSDOTTSWSA-N 264.293 0.182 0 50 CCAA CCc1noc([C@@H](C)NC(=O)c2[nH]nnc2C)n1 584891006 LLPBNKMHTGYLEW-ZCFIWIBFSA-N 250.262 0.550 0 50 CCAA CCOCC(=O)N[C@H]1CCOC[C@H]1Nc1ccnc(C)n1 952887969 XDGPFASZGFBRAP-NWDGAFQWSA-N 294.355 0.507 0 50 CCAA O=C(N[C@H]1C[C@@]12CCc1ccccc12)C(=O)N1CC(F)C1 1875281652 NFZLBAJTSUIWJB-XJKSGUPXSA-N 288.322 0.939 0 50 CCAA CCn1nnc(C)c1Cn1cc([C@@H]2CCOC2)nn1 881382688 OSZGSHDUSRTUHK-SNVBAGLBSA-N 262.317 0.750 0 50 CCAA CC1=C(C(=O)NC2(C(=O)O)CCOCC2)OCCO1 952975575 FNARBQRFKNNGKW-UHFFFAOYSA-N 271.269 0.015 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)Nc2nccn2C)C1=O 886078415 YUMKHQHCNNDYQS-SNVBAGLBSA-N 280.328 0.386 0 50 CCAA CCc1nsc(N2CCC3(CC2)C[C@H](O)CNC3=O)n1 896332455 IBAJZUJQVYFERF-VIFPVBQESA-N 296.396 0.568 0 50 CCAA Nc1ccn2ncc(C(=O)NC[C@H]3CNCCCO3)c2c1 1775962552 RSSWKZBQCKEDMT-LLVKDONJSA-N 289.339 0.025 0 50 CCAA Cc1cc2c(N3CC(NC(=O)[C@H]4C[C@@H]4C)C3)nccn2n1 1363939582 GPPICJSPWKJARX-CABZTGNLSA-N 285.351 0.999 0 50 CCAA CCc1onc(C)c1NC(=O)CN1CCCC[C@H](O)C1=O 644409664 ACFMBDTVXMLNQR-JTQLQIEISA-N 295.339 0.857 0 50 CCAA C[C@H](C(=O)O)N(C)CC(=O)/N=c1\cc[nH]n1[C@H](C)C1CC1 225490605 GEDWIIRLMFCABX-FJHYIJNWSA-N 294.355 0.619 0 50 CCAA CCNC(=O)N1CC[C@@H](NC(=O)Nc2cnns2)C1 192349048 UAGWGGKVJCBHHP-SSDOTTSWSA-N 284.345 0.463 0 50 CCAA O=C(N[C@@H]1CCCCNC1=O)c1cc(O)nc(C2CC2)n1 561315353 HVKDVDSVRIMMQO-SECBINFHSA-N 290.323 0.458 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1nc[nH]c2nccc1-2 659150009 PZTLZLGVBDHCKC-QMMMGPOBSA-N 290.279 0.225 0 50 CCAA COc1ccc([C@H](C(=O)O)N(C)CC(N)=O)cc1F 1529114226 MWTFSFHKVIPLPU-LLVKDONJSA-N 270.260 0.377 0 50 CCAA CC[C@H](OC)C(=O)N1CCC(c2nncn2C)CC1 330560480 SDPKQVGUIGPJSE-NSHDSACASA-N 266.345 0.946 0 50 CCAA O=C(O)[C@H]1CN(C(=O)Cn2cccn2)CC12CCOCC2 1800408095 AXGHVGIBIIMOEY-LLVKDONJSA-N 293.323 0.223 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCCN([C@H](C)CO)CC1 373862616 KDBNWGSEOHSOQG-GFCCVEGCSA-N 265.357 0.852 0 50 CCAA C[C@@H]1CCCC[C@@H]1CC(=O)N1CC2(C[C@H](O)CNC2=O)C1 1616037211 BXSQISYAIXHVMR-UPJWGTAASA-N 294.395 0.912 0 50 CCAA Cc1cncc(C(=O)N2C[C@@H]3[C@@H](C2)C3(CO)CO)c1 1772818801 YOKZZSIONHERQB-VXGBXAGGSA-N 262.309 0.063 0 50 CCAA O=C(NC1(CO)CC=CC1)c1cc(N2CCOCC2)no1 1772813922 BFHOTQNLAUWFQA-UHFFFAOYSA-N 293.323 0.322 0 50 CCAA CC[C@H]1OCC[C@@H]1NC(=O)N1CC[C@H](C(=O)N(C)C)C1 1857532318 JJPMGKVMFQXIBT-SDDRHHMPSA-N 283.372 0.674 0 50 CCAA CCN(Cc1cn(C)c(C)n1)[C@@H]1CCS(=O)(=O)C1 1857676090 JRNRYGZGXTVDLT-GFCCVEGCSA-N 271.386 0.738 0 50 CCAA COCCn1cnnc1CN(C)Cc1cn(C)c(C)n1 1857711145 JRHCJYUXKINLOE-UHFFFAOYSA-N 278.360 0.598 0 50 CCAA Cc1cc(C(=O)N2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)no1 1857700785 HNEBTPIWTGMIDS-QWRGUYRKSA-N 279.296 0.055 0 50 CCAA Cc1ccc2c(C(=O)N3CC[C@H](CO)[C@H](O)C3)cnn2c1 1857733087 UPZSFHFKHRIGED-BXUZGUMPSA-N 289.335 0.458 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 125169254 JDZBLTMHFRINQS-SNVBAGLBSA-N 289.314 0.840 0 50 CCAA CNC(=O)[C@@H](NC(=O)CNC(=O)c1ccsc1)C(C)C 347560048 CBJNJEBQGSAWGU-NSHDSACASA-N 297.380 0.365 0 50 CCAA C[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@@]2(CCOC2)O1 253397044 SRNXLPBPUWGLFI-ZWNOBZJWSA-N 282.344 0.515 0 50 CCAA CCOc1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)O)cn1 262399633 JTTSALZCLNCHRH-MRVPVSSYSA-N 288.325 0.574 0 50 CCAA CNc1ccccc1CN[C@H]1CCN(S(C)(=O)=O)C1 902614975 VZYFBUHOXJPWJS-LBPRGKRZSA-N 283.397 0.852 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 924008705 FFMANFFJOSCASA-TUAOUCFPSA-N 266.341 0.250 0 50 CCAA CCOC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 834853159 OWNIBZATEOYBOX-GMTAPVOTSA-N 277.324 0.925 0 50 CCAA Cn1ncc(CCC(=O)N2CC[C@@H](N3CCCC3)C2)n1 857445726 PNYPVXWOYWHEAE-CYBMUJFWSA-N 277.372 0.444 0 50 CCAA C[C@@H]1CNCCN1C(=O)Cc1cn2ccsc2n1 124853949 HQBVYQZJOXBFSQ-SECBINFHSA-N 264.354 0.759 0 50 CCAA Cc1ccoc1C(=O)N1CCC(O)(C(=O)O)CC1 71575361 DNXRMBNWFMFTHK-UHFFFAOYSA-N 253.254 0.640 0 50 CCAA Nc1cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)n[nH]1 77340648 PNCOKVGLQRVPEH-QMMMGPOBSA-N 260.301 0.735 0 50 CCAA NC1(CNS(=O)(=O)c2cncc(F)c2)CCOCC1 624386536 NEFBVCVZXVPDFS-UHFFFAOYSA-N 289.332 0.007 0 50 CCAA O=C(Cn1cccn1)N1CC[C@]2(CCCNC2=O)C1 92038236 FVYLTXQSVWPDGU-CYBMUJFWSA-N 262.313 0.012 0 50 CCAA Cc1occc1C(=O)N1CCC[C@](O)(C(=O)O)C1 395419312 JKFRRMRTPUKZFZ-GFCCVEGCSA-N 253.254 0.640 0 50 CCAA COC1CC(C(=O)NC[C@H](C(=O)O)C2CCOCC2)C1 864145985 TVCIUJYLDZBSNA-MCIGGMRASA-N 285.340 0.655 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](C(=O)O)C(=O)N2 1857780911 ACPVMJPEPWZYCK-VIFPVBQESA-N 298.339 0.977 0 50 CCAA Cn1cc([C@@H]2C[C@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@H]3C(=O)O)cn1 2325769507 LPPXOTISHMGBCF-MLGHIDQZSA-N 289.335 0.988 0 50 CCAA COc1ncncc1CNC[C@@]1(C(=O)O)CCCOC1 2325829249 DEIFQOKMJIHONZ-ZDUSSCGKSA-N 281.312 0.456 0 50 CCAA C=CC(=O)N(C)CC(=O)NCC1(O)CCC(C)CC1 862241958 QDCXLJCRKXZVRV-UHFFFAOYSA-N 268.357 0.688 0 50 CCAA CN(CCN1CCCC1=O)C(=O)c1cc(C2CC2)nn1C 932667956 LUCSPAQMAMYIBX-UHFFFAOYSA-N 290.367 0.992 0 50 CCAA O=C(CSc1nnnn1-c1cccc(O)c1)NC1CC1 1058815 JODQKERJFRDWPV-UHFFFAOYSA-N 291.336 0.739 0 50 CCAA Nc1nc(SCC(=O)NCCc2ccccc2)n[nH]1 3220997 IGOKQBXFTVFRQF-UHFFFAOYSA-N 277.353 0.838 0 50 CCAA CCSCCn1ncc(N2CC[C@H](CN)C2)cc1=O 23398137 QZRYFPWLSMINFZ-LLVKDONJSA-N 282.413 0.781 0 50 CCAA CN1CCN([C@H]2CN(Cc3ccsc3)C[C@@H]2O)CC1 215230987 NOWQQBYVPRSFSI-KBPBESRZSA-N 281.425 0.541 0 50 CCAA CNS(=O)(=O)CCNCc1nc2ccc(C)c(C)c2[nH]1 67589024 XJWPMGFDOYHFMX-UHFFFAOYSA-N 296.396 0.819 0 50 CCAA CCN(CC)[C@H]1CCN(C(=O)c2cnnn2C)C1 282647300 HFNYZQDDDSZOCC-JTQLQIEISA-N 251.334 0.371 0 50 CCAA CCCN1C[C@H](C(=O)Nc2nncs2)CC1=O 33359505 DHKMSSVWRIKXIH-SSDOTTSWSA-N 254.315 0.735 0 50 CCAA C=CC(=O)N1CCN(Cc2nc(COC)no2)CC1 328597619 ICXLMISQGBJFKZ-UHFFFAOYSA-N 266.301 0.046 0 50 CCAA CN(C[C@@H]1CCS(=O)(=O)C1)c1ccnc2c1cnn2C 329354463 FIEWRUKNPDZRSU-JTQLQIEISA-N 294.380 0.839 0 50 CCAA CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c(OC)c1 35610227 GCHBMZSWEKZKKZ-VIFPVBQESA-N 289.353 0.753 0 50 CCAA Cc1nc(=NC(=O)N[C@H]2CCOC3(CCOCC3)C2)o[nH]1 333426813 SWLLSTMXEXIEKP-JTQLQIEISA-N 296.327 0.650 0 50 CCAA Cc1noc([C@@H]2CN(Cc3cnn(C)c3C)CCN2C)n1 284924161 CTOHFFZFZJFLEJ-ZDUSSCGKSA-N 290.371 0.909 0 50 CCAA CN(C(=O)c1ccccc1Cn1cncn1)[C@H]1CCNC1 179114855 UXWVWVQSYDRIQN-ZDUSSCGKSA-N 285.351 0.760 0 50 CCAA COCCOc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2)c1 237184967 NCETYZLCWMGOSS-JSGCOSHPSA-N 294.351 0.051 0 50 CCAA O=C1C[C@@H](N2CCOCC2)C(=O)N1CCc1ccccc1 95482808 FUYDIJQDGWAJKZ-CQSZACIVSA-N 288.347 0.689 0 50 CCAA COc1cc(C(=O)NC[C@@H]2CC[C@H](C)N2C)nn1C 621983419 IJUJBMKLTVRWMY-UWVGGRQHSA-N 266.345 0.641 0 50 CCAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)C2(C)CC2)C1 244718783 LQRIGCRPVKKCAU-MGCOHNPYSA-N 278.356 0.953 0 50 CCAA C[C@@H]1C[C@H]1CNS(=O)(=O)c1cccc(C(N)=O)c1 298804623 HHIKMIJNIHLRSQ-SCZZXKLOSA-N 268.338 0.720 0 50 CCAA Cc1ccc(OCCS(=O)(=O)N2CC[C@@H](CN)C2)cc1 534589526 VLWALPABGUQDPG-ZDUSSCGKSA-N 298.408 0.984 0 50 CCAA CNC(=O)c1ccc(CNC(=O)[C@@H](N)CCSC)o1 299764511 IKLLVTJSXLUGQQ-VIFPVBQESA-N 285.369 0.336 0 50 CCAA Cc1nn(C)c(-c2n[nH]c(CC(N)=O)n2)c1Cl 826842255 OQCSNHBUFOIESO-UHFFFAOYSA-N 254.681 0.195 0 50 CCAA CC[C@@]1(O)CCCN(C(=O)CN2CCCN(C)CC2)C1 584892760 XFYZXDVICRNBJH-OAHLLOKOSA-N 283.416 0.387 0 50 CCAA Nc1nc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cs1 584898621 JVGVGMOBYUIZBZ-ZETCQYMHSA-N 280.353 0.466 0 50 CCAA N[C@@H]1CNC[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)C1 757213241 PLIAAMRPHXVDHD-JXUBOQSCSA-N 251.296 0.854 0 50 CCAA N[C@@H]1CNCC[C@@H]1[C@@H]1CC[C@H](C(F)(F)F)NC1 757215688 WYYGDDNDDMKZKV-ZYUZMQFOSA-N 251.296 0.854 0 50 CCAA CC(C)N1C[C@@H](NC(=O)c2cc(C(C)(C)N)n[nH]2)CC1=O 1875336521 ABVDAVOEARRSKX-VIFPVBQESA-N 293.371 0.343 0 50 CCAA CC/C=C1/CCN(C(=O)[C@@H]2CN3CCN2C[C@@H]3C)C1 1875297262 INUQWJYSKUEATA-URTIOLHBSA-N 263.385 0.943 0 50 CCAA Cn1cc(CC(=O)N[C@@H](CC2CC2)C(=O)O)cn1 630159778 OOZYKDUGNWOSMJ-JTQLQIEISA-N 251.286 0.332 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N2CCCCCO2)C1=O 888076320 ZMQWOZCDZCZQNR-LBPRGKRZSA-N 284.356 0.958 0 50 CCAA Cc1[nH]ccc(=NC(CO)CO)c1Br 892681870 PYVNEPOJJJWKCU-UHFFFAOYSA-N 261.119 0.340 0 50 CCAA CN(C)c1cccc(NC(=O)N2C[C@H](CO)[C@@H](CO)C2)c1 1565515327 ANIFPDLUONFUQG-VXGBXAGGSA-N 293.367 0.817 0 50 CCAA COc1ncc(CN2C[C@H](O)C[C@@H]2CO)cc1Cl 547789223 SKYMTINTNYNERK-NXEZZACHSA-N 272.732 0.671 0 50 CCAA C[C@@H]1Cc2cc(S(=O)(=O)NCCN)cc(Cl)c2O1 170050984 IKSQVLMRLIJBGA-SSDOTTSWSA-N 290.772 0.900 0 50 CCAA C[C@H]1C[C@@H](C)CN(C(=O)c2nc(O)nc(O)c2N)C1 408236691 QBWQPHHEORMMFF-KNVOCYPGSA-N 266.301 0.588 0 50 CCAA O=C1OCCN1CCN1CCC[C@@H]1[C@@H](O)C(F)(F)F 222069484 KKBMDBPGXQYASG-RKDXNWHRSA-N 282.262 0.826 0 50 CCAA C=Cn1cc(CN2CCS(=O)(=O)CC[C@@H]2C)cn1 194907363 QNBHTOLGMBDAAB-NSHDSACASA-N 269.370 0.993 0 50 CCAA Cc1cc(C(=O)N2CCN(c3cccnn3)CC2)n(C)n1 195055565 VLUJSOZQYLFKPT-UHFFFAOYSA-N 286.339 0.481 0 50 CCAA O=C(c1ccc2c(c1)COB2O)N1CC(C2CCC2)C1 584988069 CLPCPVGVMGQJFL-UHFFFAOYSA-N 271.125 0.776 0 50 CCAA C=CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C 585124830 VBJVUXMZYVKELD-SNVBAGLBSA-N 284.356 0.867 0 50 CCAA Cn1ccc(C(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)n1 585125770 FHJIOJNYFJNAPF-OLZOCXBDSA-N 293.367 0.860 0 50 CCAA O=C(NCc1cc(O)nc(S)n1)c1nc(C2CC2)no1 585138508 XGLBVQVSGHHDDM-UHFFFAOYSA-N 293.308 0.661 0 50 CCAA C[C@@]1(O)CCOC2(CCN(CCC(=O)O)CC2)C1 1704298006 BJUBJKRTISRLFY-GFCCVEGCSA-N 257.330 0.857 0 50 CCAA CN(C)C[C@H]1COCCN(CCn2ccnc2)C1 1506423396 VYNKJMUFKAQQQV-CYBMUJFWSA-N 252.362 0.393 0 50 CCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N(C)C)OCC(=O)N1C 1529159526 RQIVOTULCWSPDX-KGLIPLIRSA-N 276.336 0.982 0 50 CCAA C[C@H]1CNCCN1C(=O)CN(C)Cc1ccccc1 125411510 LJYDBDNGZCMAMZ-ZDUSSCGKSA-N 261.369 0.939 0 50 CCAA Cc1noc(CCCC(=O)N2CCNC[C@@H]2C)n1 126431930 QHVYCPVYRMZCBJ-VIFPVBQESA-N 252.318 0.521 0 50 CCAA COCCN1CCN(Cc2c(C)cnn2C)CC1 215084318 TZGNMTNWVGJCLC-UHFFFAOYSA-N 252.362 0.493 0 50 CCAA C[C@H](NC(=O)[C@@]1(C(=O)O)CC1(C)C)c1ncon1 663116147 PIDVUWPIQANHDT-UPONEAKYSA-N 253.258 0.748 0 50 CCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(Cc1ccncc1)C2 1772707377 YUVPSDFFIDMEEK-KBPBESRZSA-N 291.351 0.299 0 50 CCAA CCCCOC[C@@H](O)CN1CCN(C(C)=O)CC1 19812009 AHGIYOMXVURRRU-ZDUSSCGKSA-N 258.362 0.328 0 50 CCAA CCc1noc(C[C@]2(O)CCCN(C(=O)NC3CC3)C2)n1 1647329500 VLJWUEZONMNARY-CQSZACIVSA-N 294.355 0.873 0 50 CCAA CC1(CNC(=O)c2nnc3n2CCCC3)COC1 1857690561 NMWWLABDZQQWBS-UHFFFAOYSA-N 250.302 0.381 0 50 CCAA CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1C[C@@H](O)CN1 226828523 LHCBSTUXTFXFJA-UTUOFQBUSA-N 292.335 0.008 0 50 CCAA CC(C)[C@@H](C(=O)N1C[C@H]2COC[C@@H](C1)O2)N1CCCC1=O 328760092 WWNUXQZGVSQQPR-SCRDCRAPSA-N 296.367 0.260 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1 238071549 GLFANVGPKKSLNO-SNVBAGLBSA-N 264.285 0.231 0 50 CCAA CNC(=O)[C@@H]1CCCN1C(=O)c1cnn2ccccc12 335985130 OGWBMRCIENIOSE-LBPRGKRZSA-N 272.308 0.685 0 50 CCAA CC(C)C[C@@H](CO)NC(=O)c1cn(C2CCOCC2)nn1 355532458 PTVCFOQBYQKEPV-NSHDSACASA-N 296.371 0.766 0 50 CCAA Cn1ncc2c1C[C@@H](c1nc(-c3cnc[nH]c3=N)no1)CC2 585084186 FLWKIEIFDITMDC-QMMMGPOBSA-N 297.322 0.945 0 50 CCAA C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccn(C)n2)[C@@H]1C 585126750 HMQUPDAYULSNHM-YIZRAAEISA-N 250.302 0.158 0 50 CCAA NC(=O)[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2COCCO2)C1 264865389 PFFVHUKSBBSENG-YPMHNXCESA-N 290.319 0.093 0 50 CCAA CCc1c(CN(C)C[C@H]2CNCCO2)cnn1C 1875278938 ZOLNHSVDUBQLQJ-GFCCVEGCSA-N 252.362 0.403 0 50 CCAA O=C(O)Cn1cc(C(=O)NC/C=C/Br)nn1 1875281326 HCHKVVAJBTUDGM-OWOJBTEDSA-N 289.089 0.001 0 50 CCAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ncc[nH]3)C1)CC2 1704337019 QDJHPBLOMIXXGR-OAHLLOKOSA-N 298.350 0.902 0 50 CCAA COc1ccc2c(c1)C[C@@H](CN1C[C@H](O)[C@H](O)C1)O2 929772751 NLVCAHAHVKFJNK-RWMBFGLXSA-N 265.309 0.036 0 50 CCAA O[C@H](CN1CCC[C@@H](N2CCCC2)C1)Cn1cccn1 229246306 SBCLQXRLNRJEJJ-HUUCEWRRSA-N 278.400 0.804 0 50 CCAA COC[C@@](C)(NC(=O)c1cnn2ccccc12)C(=O)O 262157758 GNOCSBPJSOUJDJ-CYBMUJFWSA-N 277.280 0.554 0 50 CCAA NS(=O)(=O)C[C@H]1CCN(C(=O)Cc2cccs2)C1 299795349 KLNNDOXRJUKRCC-VIFPVBQESA-N 288.394 0.428 0 50 CCAA O=C([C@H]1CNCCOC1)N1CCOc2ccccc2C1 643651418 WIXNPDMZSVGOKE-ZDUSSCGKSA-N 276.336 0.644 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NCc1csc(N)n1 584898262 KMFGZQAETFOPLT-UHFFFAOYSA-N 265.342 0.924 0 50 CCAA Cn1nc(C2CC2)nc1CC(=O)OCC1=CC(=O)OC1 2325754821 NUISNRBIDWKKDF-UHFFFAOYSA-N 277.280 0.261 0 50 CCAA O=C(c1n[nH]c(O)n1)N1CCS[C@@H]1c1ccco1 2325790041 ISAYZQTYZSNLAH-SECBINFHSA-N 266.282 0.991 0 50 CCAA O=C(O)CC[C@H]1C[C@H](N=c2ccc3nnc(CO)n3[nH]2)C1 2325848942 XBKXJRZSDMMELJ-KYZUINATSA-N 291.311 0.094 0 50 CCAA CS(=O)(=O)Nc1ccc(C(=O)NCC2(O)CCC2)cc1 134932576 KISCHRJAVYTEAM-UHFFFAOYSA-N 298.364 0.703 0 50 CCAA O=C(c1cnc(C2CC2)nc1)N1C[C@H]2COC[C@@]2(CO)C1 2356149533 GKUFSTFZEINEJI-WFASDCNBSA-N 289.335 0.435 0 50 CCAA COc1cccc2cc(C(=O)NCCO)c(=O)oc12 2999339 AMVJXRCZLMEIAU-UHFFFAOYSA-N 263.249 0.524 0 50 CCAA biogenic O=[S@@](C[C@@H](O)COc1ccccc1)c1ncn[nH]1 4947603 SKIPBNCUOWMZAC-NIVTXAMTSA-N 267.310 0.352 0 50 CCAA O=C(O)C12C3[C@@H]4[C@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 100715018 ZGOHSJGPNWPPHD-KAKJXGPRSA-N 299.120 0.699 0 50 CCAA CCc1cnc(C)nc1N1CCN(S(=O)(=O)CC)CC1 65463911 YAVLMAKQIMQIHX-UHFFFAOYSA-N 298.412 0.819 0 50 CCAA O=C(Nc1ccnn1C1CCN(CCO)CC1)C1CC1 67946639 SESTZQVXSCZNEU-UHFFFAOYSA-N 278.356 0.861 0 50 CCAA N[C@H]1CN[C@H](C(=O)N2CCOc3ccc(Cl)cc3C2)C1 65422453 JOTBNUYXEKUUQX-NEPJUHHUSA-N 295.770 0.750 0 50 CCAA c1cn(CCNc2nccc(N[C@@H]3CCCOC3)n2)cn1 328642172 QXMFEEGZJTWMGV-GFCCVEGCSA-N 288.355 1.376 0 50 CCAA CCOC1CC2(CCN(C(=O)c3nc[nH]n3)C2)C1 329222410 WIRRTDMJBXMRAB-UHFFFAOYSA-N 250.302 0.836 0 50 CCAA Cn1c(-c2ccc(Cl)nc2)nnc1N1CCNC(=O)C1 283256535 UEQMXWCDSIFGTB-UHFFFAOYSA-N 292.730 0.467 0 50 CCAA CC(C)c1nc(CCNC(=O)Cn2nnnc2N)cs1 218970139 WIBFCYXAGRUOSP-UHFFFAOYSA-N 295.372 0.194 0 50 CCAA Cn1nnnc1CN1C(=O)N[C@@]2(CCC(C)(C)C2)C1=O 366825319 PVBLTCWEQOCLHB-GFCCVEGCSA-N 278.316 0.211 0 50 CCAA O=C(Cc1nnn[nH]1)N1CCC2(CCOCC2)CC1 72122558 MITMYTYCCZPVGR-UHFFFAOYSA-N 265.317 0.161 0 50 CCAA C[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 261813486 HEJGHLHITGRXSM-SCVCMEIPSA-N 265.357 0.336 0 50 CCAA CCOC(=O)N1CCN(Cc2cc3n(n2)CCNC3)CC1 72148293 ZCJQKMRBGSXYRK-UHFFFAOYSA-N 293.371 0.260 0 50 CCAA O=C1NCCN1CCn1ccnc1-c1ccc(CO)o1 71730628 KLBXDLPQMMZKGS-UHFFFAOYSA-N 276.296 0.661 0 50 CCAA CC[C@H]1COCCN1S(=O)(=O)N1CCC(OC)CC1 77407270 BPIPJXFTAKXKCZ-NSHDSACASA-N 292.401 0.453 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)CCn3ccnc3)[C@@H]2C1 285995854 YPTMDUHOSJIDKJ-OLZOCXBDSA-N 278.356 0.205 0 50 CCAA CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 44884884 OKGDPLFFYVEBOT-SNVBAGLBSA-N 277.390 0.031 0 50 CCAA O=C(NCCc1ccncc1)N1CCN2C(=O)OC[C@H]2C1 426373897 YTJOQXVLRCBLGM-GFCCVEGCSA-N 290.323 0.470 0 50 CCAA COc1ncc(C(=O)NCCN2CCCOC2=O)cn1 426465379 ZYIYVXCRFRXHSA-UHFFFAOYSA-N 280.284 0.057 0 50 CCAA O=C(NCc1cc[nH]n1)N1CCC[C@H](Cn2ccnn2)C1 532790289 MNXZVRZRORRMNC-NSHDSACASA-N 289.343 0.623 0 50 CCAA COc1ccc2c(c1)[C@H](C(=O)N1CC(O)C1)CC(=O)N2 91620143 JFWULBWXKWSNGN-LLVKDONJSA-N 276.292 0.324 0 50 CCAA CC(=O)NCCNc1cc([C@H]2CCOC2)nc(C)n1 426444858 CKKKYPSNPJICOY-NSHDSACASA-N 264.329 0.837 0 50 CCAA CS(=O)(=O)N1CCC[C@@H]1c1nc(-c2cccnn2)no1 95510897 COKDWVSMEJJMAS-SECBINFHSA-N 295.324 0.623 0 50 CCAA CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](O)C1 144327458 YCSWTNOOIHXDLP-ITWVYHRLSA-N 259.302 0.968 0 50 CCAA COc1cc(C(=O)NC[C@@H](C)C(=O)O)cc2c1OCCO2 268905721 LWBOWXBKMGRJIH-MRVPVSSYSA-N 295.291 0.917 0 50 CCAA CN(C)S(=O)(=O)N[C@@H]1CCCN(Cc2cccnc2)C1 534644013 YIBGVFYYWKAODP-CYBMUJFWSA-N 298.412 0.442 0 50 CCAA C[C@@H](Cn1cnc2ccccc2c1=O)NCCn1cncn1 534656034 ZOYMCEIETADTCA-LBPRGKRZSA-N 298.350 0.666 0 50 CCAA COC(=O)N1CCCC[C@H]1C(=O)N1CCCNCC1 534581615 KFBYYYSRWPUOHP-NSHDSACASA-N 269.345 0.429 0 50 CCAA O=C(Nc1cc(F)cc(F)c1)N[C@@H]1CNCC[C@H]1O 299762837 YXXHVZYKXCYYTJ-GHMZBOCLSA-N 271.267 0.809 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)N1CCCN(C(C)C)CC1 823412857 WUPOFXUAPJZWFY-CYBMUJFWSA-N 291.461 0.730 0 50 CCAA Cn1cnnc1SCCNC(=O)c1ccc(O)cn1 828919773 HOVXVCJUKJLVFJ-UHFFFAOYSA-N 279.325 0.438 0 50 CCAA Cc1cnccc1N1CCN(c2cncc(C(N)=O)n2)CC1 670469174 YLHFZDGZNABBLY-UHFFFAOYSA-N 298.350 0.606 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cc2c[nH]cnc-2n1 1875333334 OVYBMGVONMLYID-NSCUHMNNSA-N 260.253 0.369 0 50 CCAA O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[C@H](C(=O)O)S1 1875306188 WWBNULPYCNNSKR-FHNUBNKASA-N 271.338 0.771 0 50 CCAA O=C(O)Cn1cc(C(=O)N[C@H]2CCC=CCCC2)nn1 1875319255 VCIDXIOJKOJDTQ-JTQLQIEISA-N 278.312 0.981 0 50 CCAA CCc1nsc(N2CCN[C@H](c3cn[nH]c3)C2)n1 952876564 BDHIWKYHMABIFF-VIFPVBQESA-N 264.358 0.975 0 50 CCAA O=c1n(Cc2ccc3nsnc3c2)nc2n1CCOC2 1875281195 UVBJRHWCESVQHP-UHFFFAOYSA-N 289.320 0.628 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1N1C(=O)N[C@@H](CC(F)F)C1=O 1875271221 GXDSRNAMZYKCEK-ACZMJKKPSA-N 275.255 0.229 0 50 CCAA O=S(=O)(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cn[nH]c1 1875255986 JQVNNIBRUFNENF-MWLCHTKSSA-N 287.341 0.026 0 50 CCAA CCOC[C@H]1CCCN1C(=O)Cc1c(C)nc(O)nc1O 952973582 FDPQDBPGELDWJB-SNVBAGLBSA-N 295.339 0.766 0 50 CCAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2nccc(N)n2)C1 888079281 SDSYHCFHWANYAU-NXEZZACHSA-N 274.328 0.744 0 50 CCAA COC(=O)[C@@H](NC(=O)C1=NN(C)C(=O)CC1)C(C)(C)C 169989300 YNMLETSUPVCTKJ-SNVBAGLBSA-N 283.328 0.299 0 50 CCAA CCCc1nnc(S)n1CC(=O)NC[C@@H]1CCC[C@@H]1O 170643438 NEEZLCIMOCXMKK-UWVGGRQHSA-N 298.412 0.797 0 50 CCAA C[C@H]1CN(C(=O)[C@H]2C[C@@H](C)O[C@@H]2C)C[C@@H](C(=O)O)O1 1594201260 DXJXLWYXWRBWCZ-XXFSISAASA-N 271.313 0.500 0 50 CCAA COCCN1CCCN(C(=O)[C@@]2(C)CCCOC2)CC1=O 408275920 CRKOCHSMQUZIBY-HNNXBMFYSA-N 298.383 0.510 0 50 CCAA Cc1nccn1CCN1CCC[C@@](O)(CC(=O)N(C)C)C1 643812888 VVEVTIHUHHRFII-OAHLLOKOSA-N 294.399 0.497 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cc(C)no1 643827989 QGHYOAOVWOEAHU-ZDUSSCGKSA-N 267.329 0.710 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cncc(F)c1 644070084 AJQOKPLUGNFHHK-MJBXVCDLSA-N 293.342 0.938 0 50 CCAA CCN(C[C@@H]1CCCCO1)C(=O)CN(C)C(N)=O 1506429356 XGQXGOYSCLIFIL-JTQLQIEISA-N 257.334 0.415 0 50 CCAA CC(=O)Nc1nonc1NC(=O)Cc1csc(C)n1 1529151501 DEMMKCFGXMFGBV-UHFFFAOYSA-N 281.297 0.974 0 50 CCAA O=C(CCn1cnc2ccccc21)N[C@H]1CCNC[C@@H]1O 219653723 LSHHWPKWSWDBRP-JSGCOSHPSA-N 288.351 0.265 0 50 CCAA CC(=O)NCCC(=O)N1CCC[C@@]2(CCC[C@H]2O)C1 1704301009 FXZBXDUEWFWVMK-OCCSQVGLSA-N 268.357 0.666 0 50 CCAA CCN1CCC(CN[C@@H]2CCc3ncnn3C2)CC1 1616039069 VXWWSBZYAJDFNV-CYBMUJFWSA-N 263.389 0.914 0 50 CCAA C[C@H]1CN(C(=O)CCOC2CCOCC2)C[C@@H](C)N1 153712669 WKCZLNPGDFVTCC-TXEJJXNPSA-N 270.373 0.781 0 50 CCAA Cn1cnc(=O)n1Cc1nc(-c2ccccc2)no1 583624525 AEDYCQGVZSYSBZ-UHFFFAOYSA-N 257.253 0.680 0 50 CCAA O=C(c1ccns1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857683618 KKZDQPWLAQAJTH-ZWNOBZJWSA-N 295.364 0.246 0 50 CCAA N=c1[nH]c2cc(C(=O)N3C[C@@H](O)[C@H](F)C3)ccc2s1 1857724337 VXQYKQBMPFYACG-VXNVDRBHSA-N 281.312 0.864 0 50 CCAA CC[C@@H]1CN(CC)CCN1C(=O)COCc1ccnn1C 565347865 LKTKYOUKCNBDSY-CYBMUJFWSA-N 294.399 0.879 0 50 CCAA O=C(c1ccc2nc(O)[nH]c2c1)N1CCC12COC2 615932852 ULBPFIRSBAPGTK-UHFFFAOYSA-N 259.265 0.883 0 50 CCAA Cc1c[nH]nc1CN1CC[C@@H](N=c2ccc3nccn3[nH]2)C1 365664853 ROPWFMQKUCUAJB-GFCCVEGCSA-N 297.366 0.869 0 50 CCAA O=C(N1CCn2c(O)nnc2C1)C1(C(F)F)CC1 843854363 QKJUXANPJXTRHC-UHFFFAOYSA-N 258.228 0.371 0 50 CCAA Cc1nonc1CNC(=O)c1ncccc1N(C)C 900742671 SCRYZUSIYYGYAI-UHFFFAOYSA-N 261.285 0.769 0 50 CCAA CCn1nccc1CNC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 912764685 GWHZFFWMGAFRNK-VXGBXAGGSA-N 290.327 0.120 0 50 CCAA CCNC(=O)C1CN(C(=O)Cc2cn(C)nc2Cl)C1 815754378 LYLWWJBWOKRVFW-UHFFFAOYSA-N 284.747 0.211 0 50 CCAA CCn1ncc(C(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)n1 854435227 UTXXFOBGELUXOA-SECBINFHSA-N 291.315 0.489 0 50 CCAA Cc1nc(N2CCN(Cc3nocc3C)CC2)n[nH]1 931632137 SMCIRZSDUCXADG-UHFFFAOYSA-N 262.317 0.732 0 50 CCAA Cc1cc(F)cc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1 225487734 KMHITCVSUCYDTC-AWEZNQCLSA-N 280.299 0.587 0 50 CCAA Cn1cc([C@@H]2CCCN2C[C@@H](O)Cn2cccn2)cn1 229562825 YRYQSOCCFHXMKG-KGLIPLIRSA-N 275.356 0.815 0 50 CCAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccco2)C1 299800049 UZGPTSLXBYFYOW-QMMMGPOBSA-N 258.299 0.030 0 50 CCAA O=C(c1cccc2c[nH]nc12)N1CCOC2(CNC2)C1 663485430 GOZZSNVTTOHPCM-UHFFFAOYSA-N 272.308 0.377 0 50 CCAA CC(=O)NCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 407961345 DJRBBBWUQGDNBE-JHJVBQTASA-N 268.357 0.665 0 50 CCAA O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccnc1 100059391 AMIPRWQADJMDPA-FSZOTQKASA-N 283.287 0.534 0 50 CCAA CCc1nnc(CN2CCC[C@]2(C)C(=O)O)n1C 652480390 DMOZYIPQSAUZRI-GFCCVEGCSA-N 252.318 0.817 0 50 CCAA COC(=O)N[C@]1(C(F)(F)F)C(=O)NC(C)=C1C(=O)OC 100229789 MDPOSPJVRRWFCU-VIFPVBQESA-N 296.201 0.220 0 50 CCAA O=S(=O)(NC1CC2(C1)C(F)(F)C21CC1)c1cnn[nH]1 2325798786 ARQZHZGWINNPIL-UHFFFAOYSA-N 290.295 0.661 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC[C@@H]2[C@H](O)C(C)(C)[C@@H]21 869826919 DOQYQXOZNODRGF-GDLCADMTSA-N 280.368 0.687 0 50 CCAA CN(c1ccc(C(=O)NC2CC2)cc1)S(C)(=O)=O 382646 SUPIMUZLKIUNOJ-UHFFFAOYSA-N 268.338 0.975 0 50 CCAA Cc1occc1C(=O)Nc1cc(=O)n(C)c(=O)n1C 433870 MLFJBOWJTKIBCY-UHFFFAOYSA-N 263.253 0.238 0 50 CCAA CC[C@@H]1CN([C@H]2CCN(c3cnn(C)c3)C2=O)CCO1 239761637 CKBHQOPVASVGGS-OLZOCXBDSA-N 278.356 0.636 0 50 CCAA CN1CCN2C[C@@H](NC(=O)c3n[nH]cc3Cl)C[C@H]2C1 67491081 DQCFUSWFEYTJMW-IUCAKERBSA-N 283.763 0.181 0 50 CCAA OCCN1CCN(C[C@@H](O)COC2CCCCC2)CC1 20668519 GKSISEOMWASKAG-CQSZACIVSA-N 286.416 0.307 0 50 CCAA Cc1ccc(OCC(=O)N[C@H]2CNC(=O)C2)cc1C 330751694 ZMVHDBMGAUHSIJ-LLVKDONJSA-N 262.309 0.687 0 50 CCAA CCOCCN1CCC([C@H](O)C(=O)NC2CC2)CC1 434714153 NROKYDFJKIJGMA-ZDUSSCGKSA-N 270.373 0.374 0 50 CCAA Cc1cc2c(=N[C@@H]3CC[S@](=O)C3)[nH]ccn2n1 330045972 IKVQYBFVWDMYFZ-XLFHBGCDSA-N 250.327 0.393 0 50 CCAA COC[C@H](O)CN(C)C(=O)c1n[nH]c2ccccc2c1=O 125087623 BRQJXBWURGBYNE-SECBINFHSA-N 291.307 0.002 0 50 CCAA COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)CN2C(C)=O)cc1 71772503 DNBJXGPHTZUBCU-RDBSUJKOSA-N 265.309 0.190 0 50 CCAA COc1ccc2c(c1)C[C@H](C(=O)N[C@H](C)C(=O)O)CO2 262720851 VJGKJHZWJCFWMG-SCZZXKLOSA-N 279.292 0.836 0 50 CCAA CC(C)c1cc(C(=O)N2CCNC[C@H](CC(=O)O)C2)n[nH]1 71749673 FTGRHUWPVRHERI-JTQLQIEISA-N 294.355 0.669 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)Cc1cc(C2CC2)no1 614456504 RYUIKJDURJRLPF-GZMMTYOYSA-N 277.324 0.878 0 50 CCAA CCN1CCN(C(=O)[C@H](C)NC(=O)C(F)(F)F)CC1 40451276 NGTYTXIHPMTNHS-QMMMGPOBSA-N 281.278 0.218 0 50 CCAA CC(=O)N1CCO[C@H](CNC(=O)c2cncc(F)c2)C1 426547585 HKJCNVJHJMCWSQ-GFCCVEGCSA-N 281.287 0.198 0 50 CCAA COc1ccccc1-n1ncnc1Cc1cnc[nH]c1=O 96152965 JNPPFHTYASHPPM-UHFFFAOYSA-N 283.291 0.950 0 50 CCAA O=C1NCCN1CCNc1nccc(-c2ccncc2)n1 96141501 JVBYSXHZEPPXFA-UHFFFAOYSA-N 284.323 0.976 0 50 CCAA O=C([C@@H]1CC12CCCC2)N1CCn2c(O)nnc2C1 333466606 QPPOMTFLKXFEBC-VIFPVBQESA-N 262.313 0.906 0 50 CCAA c1cn2nc(N3CCN(C[C@H]4CCOC4)CC3)ccc2n1 97570974 RXYLMUGMWFPHMU-CYBMUJFWSA-N 287.367 0.888 0 50 CCAA Cn1ccnc1-c1cn([C@H]2CCCCNC2=O)nn1 91426593 LKVFSTGVXRIIPU-JTQLQIEISA-N 260.301 0.520 0 50 CCAA CN(C)C(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 238923859 PQVCPRQEKNGUQH-YRRQLQLVSA-N 276.336 0.662 0 50 CCAA CCN1C[C@@H](C(=O)NCc2cnn3cccnc23)CC1=O 95372735 JDBZSGMMCBNGSS-JTQLQIEISA-N 287.323 0.214 0 50 CCAA CCN1C[C@@H](C(=O)NCCCn2nc(C)nc2C)CC1=O 95364592 VOHHENOQUIVUFS-LBPRGKRZSA-N 293.371 0.270 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1nc(-c2ccoc2)no1 299744966 QHPLTFUYJYPAFK-BDAKNGLRSA-N 280.259 0.727 0 50 CCAA NC(=O)[C@@H](O)C1CCN(C[C@@H](O)c2ccccc2F)CC1 299745690 RVSJFPANITVJDI-KGLIPLIRSA-N 296.342 0.417 0 50 CCAA N[C@@]12[C@@H]3[C@H]1[C@@H]1[C@@H]4[C@H]([C@@H]42)[C@@]3(Br)C12OCCO2 252428208 ULOACUZXAWMIQS-QEZQOHNYSA-N 270.126 0.326 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)C[C@@H](C)O1 252685071 HMODCEXRBXPPOU-KKOKHZNYSA-N 291.417 0.152 0 50 CCAA CCn1c(CN2CC[C@@H](O)C2)nnc1[C@H]1C[C@@H](N)C1 252537293 KXGPWTLIUYDTDD-OUAUKWLOSA-N 265.361 0.069 0 50 CCAA O=C(NCc1cccc(F)c1)N[C@@H]1CCNC[C@H]1O 534592790 IOHMKFYZJRMUDB-VXGBXAGGSA-N 267.304 0.348 0 50 CCAA COC(=O)c1cn([C@H]2CSC[C@H]2O)cc2c(=O)[nH]nc1-2 263587294 FHIFLDWWXFNPEP-DTWKUNHWSA-N 295.320 0.112 0 50 CCAA C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)O 630173126 UKFDAUPQPYPZQQ-WCBMZHEXSA-N 251.286 0.664 0 50 CCAA O[C@@H]1CN(Cc2cscn2)CC[C@H]1NC1CCOCC1 299794068 JBMBJYFDPVWYHF-ZIAGYGMSSA-N 297.424 0.847 0 50 CCAA Cn1cncc1C(=O)NCCCN1CCC[C@@H](CO)C1 299788904 XAKQIDSYQYXVKV-GFCCVEGCSA-N 280.372 0.244 0 50 CCAA CCOC[C@@H](O)CNC(=O)CN1CCCCCC1 823315651 XZWYSGLNKCLRIU-LBPRGKRZSA-N 258.362 0.376 0 50 CCAA Cc1nc(N)sc1C(=O)NCCN1CCC[C@H](CO)C1 584897811 SBIVXCMAQWYHMW-JTQLQIEISA-N 298.412 0.468 0 50 CCAA CN1CC(=O)N2CCN(CC3=CCCCC3)C[C@@H]2C1=O 670434998 OZMDQXYCVVDOEK-CYBMUJFWSA-N 277.368 0.472 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)c2c(C)noc2C)C1 630249647 OFBRIBZSEZOFNN-LBPRGKRZSA-N 268.269 0.607 0 50 CCAA O=C(O)[C@@H](Cc1nccc(O)n1)NC[C@H]1C[C@H]2C=C[C@H]1C2 1875332232 OIRVERKVEUDCCZ-NNYUYHANSA-N 289.335 0.980 0 50 CCAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@H]2CCCS2)CS1 1875300792 QPQSDNJGCFVFAE-RNJXMRFFSA-N 261.368 0.957 0 50 CCAA C[C@@](N)(CO)C(=O)NC[C@H](O)c1ccc2ccccc2c1 1875273565 KJZQXSPBPQMJRK-GOEBONIOSA-N 288.347 0.699 0 50 CCAA Cc1ncnc(C)c1CC(=O)N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12 1875293020 ZRITVHLFSLCWHA-WDMOLILDSA-N 275.308 0.615 0 50 CCAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@@H]1CN 1875276757 YGIJCUWLTUBSQT-YVECIDJPSA-N 276.384 0.967 0 50 CCAA N[C@H](c1cccc(OC(F)(F)F)c1)C1(O)CNC1 958528349 QDKUYPIWVYHDRE-SECBINFHSA-N 262.231 0.919 0 50 CCAA O=C1CC[C@H]2CN(c3nccn(C(F)F)c3=O)CC[C@H]2N1 1773101509 BNKXWKZJVMUGRE-DTWKUNHWSA-N 298.293 0.743 0 50 CCAA O=C(CN1C[C@@H](O)CC(F)(F)C1)Nc1cccnn1 1774357238 IXLUSCAFUFLNTL-QMMMGPOBSA-N 272.255 0.117 0 50 CCAA CN1CCO[C@@H](C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)C1 189046541 ODQPHLJGCZNNBT-UPJWGTAASA-N 284.400 0.884 0 50 CCAA Cc1cc(C(=O)N[C@@H](c2nc(=O)o[nH]2)C(C)(C)C)ncn1 639430482 URHPORCSBNNINU-VIFPVBQESA-N 291.311 0.979 0 50 CCAA Cc1occc1C(=O)NCC(=O)N1CC2(CCOCC2)C1 646007798 RYPBHKCRQBUKTC-UHFFFAOYSA-N 292.335 0.957 0 50 CCAA COc1ccnc(N2CCN(C(=O)c3ccon3)CC2)n1 195391007 OJOAUROUTBYKFS-UHFFFAOYSA-N 289.295 0.436 0 50 CCAA Cn1c(N2C[C@H](O)[C@H](O)C2)nc2cccc(F)c21 407958813 QEVBTFIDEWVZCS-AOOOYVTPSA-N 251.261 0.254 0 50 CCAA C[C@H](NS(C)(=O)=O)C(=O)NC1(C2(C)CC2)CC1 408472064 YQPDKAVOGNJELP-QMMMGPOBSA-N 260.359 0.373 0 50 CCAA CCS(=O)(=O)CCN1C(=O)CC2(CCCC2)C1=O 241644380 PQGISRXTAVGFJP-UHFFFAOYSA-N 273.354 0.740 0 50 CCAA CC1(C)O[C@@H]2O[C@H](CO)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 145201193 POORJMIIHXHXAV-KGDYZURWSA-N 260.286 0.375 0 50 CCAA biogenic,in-vitro O=C1CO[C@@]2(CCN(Cc3ccn4nccc4c3)C2)CN1 1772804617 BVFGLOYZMTYHSZ-HNNXBMFYSA-N 286.335 0.425 0 50 CCAA Cc1c(NC(=O)CN(C)C)c(=O)n(-c2ccccc2)n1C 5724087 BXNGZSCNOGLNKY-UHFFFAOYSA-N 288.351 0.985 0 50 CCAA CN(C)c1ncccc1CNS(=O)(=O)N1CCCCC1 12442866 GWLQAKLPMPAOST-UHFFFAOYSA-N 298.412 0.968 0 50 CCAA C[C@@H](O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 15258007 KMZBGEVCOYIAFI-WQHBLYJGSA-N 287.319 0.074 0 50 CCAA COc1ccccc1N1C(=O)C[C@@H](N2CCOCC2)C1=O 19228509 XQBCGZMSZJJRCG-GFCCVEGCSA-N 290.319 0.659 0 50 CCAA CC1=C(C(N)=O)C(c2cccs2)C(C(N)=O)=C(C)N1 19418627 HXICMMLVOSUBCK-UHFFFAOYSA-N 277.349 0.954 0 50 CCAA c1cnc(N2CCN(c3ncc4cn[nH]c4n3)CC2)cn1 1857668597 KXULMQATTSCAOG-UHFFFAOYSA-N 282.311 0.470 0 50 CCAA CCC[C@@]1(CO)CN(c2ncnc3[nH]cnc23)CC[C@@H]1O 1857712278 NYSRLJCCTQOATB-HZMBPMFUSA-N 291.355 0.703 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(CCOC)C1 408473367 YWLPPWBGWVUKEO-RYUDHWBXSA-N 284.356 0.466 0 50 CCAA O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@H]1CCCO1 257721011 VMVFUKHRNGXFER-WDEREUQCSA-N 264.281 0.373 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)CN1CCC(C)CC1 818312698 VXNSBQGZTXPZSR-OAHLLOKOSA-N 298.383 0.811 0 50 CCAA C=CC(=O)NCCC(=O)N1CC(C)(C)CC[C@H]1CO 1120694255 JYYDMIRIWKRVJH-NSHDSACASA-N 268.357 0.688 0 50 CCAA NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C1 292069614 XCVGDFRPKBKZRB-DYNIEEOBSA-N 264.325 0.037 0 50 CCAA CC(C)n1ccc(C(=O)NC(C)(C)c2nn[nH]n2)n1 354773907 NYRWVYANUXUVQI-UHFFFAOYSA-N 263.305 0.642 0 50 CCAA COC1(C(=O)N2C[C@H](O)C3(CC3)C2)CCOCC1 376050335 LWWHUFDKUIDFSD-JTQLQIEISA-N 255.314 0.165 0 50 CCAA NC(=O)[C@@]1(O)CCN(c2ncnc3c2CCCCC3)C1 383740357 HIZGVUXZQKJLSG-CQSZACIVSA-N 276.340 0.172 0 50 CCAA Cc1co[nH]c1=NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 435720575 YTRWVYCMYOUPBE-UHFFFAOYSA-N 299.308 0.501 0 50 CCAA CCCNC(=O)/C(=C/NC(=O)c1ccccc1)C(=O)OC 2325899568 LDWXENYLNOKAOU-BENRWUELSA-N 290.319 1.000 0 50 CCAA COC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 380024 OMFWYCSJSZROOC-UHFFFAOYSA-N 257.311 0.934 0 50 CCAA CN1C(=O)C(Cc2cccs2)C(=O)N(C)C1=O 2999626 IMABAOWLDUXXBU-UHFFFAOYSA-N 252.295 0.957 0 50 CCAA NC[C@H]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2)CC1 418360323 GADOQZVVRBUMLX-AVGNSLFASA-N 268.405 0.803 0 50 CCAA C[C@H](C(=O)O)n1ccc2c(cnc3ncnn32)c1=O 20312430 NAWKMIXHJHXJCO-ZCFIWIBFSA-N 259.225 0.085 0 50 CCAA CC(C)NC(=O)CNC(=O)CN1CCCCCCC1 67982997 IHFNSHNRHMJRBP-UHFFFAOYSA-N 269.389 0.893 0 50 CCAA CCOC(=O)[C@@H]1CCCN([C@@H]2C[C@@H](C)OC2=O)C1 229769148 HSLALPKLHWCFOZ-GMTAPVOTSA-N 255.314 0.966 0 50 CCAA CC(C)N1CCC(C(=O)N[C@@H]2C=CS(=O)(=O)C2)CC1 65371472 UJSXUUZJPUQURP-GFCCVEGCSA-N 286.397 0.534 0 50 CCAA CN(CC(=O)NC1CCCCCC1)S(C)(=O)=O 22606398 MDZKMUQPOSKWNM-UHFFFAOYSA-N 262.375 0.717 0 50 CCAA O=C(O)[C@H]1C[C@@H](CCCP(=O)(O)O)CCN1 26279023 ABIFUJNCKIMWRZ-JGVFFNPUSA-N 251.219 0.397 0 50 CCAA O=C(C[C@H]1COCCN1)NCc1cn2ccccc2n1 72157609 MDWFANDIKSJJFS-NSHDSACASA-N 274.324 0.329 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@H](N2C(=O)[C@H]3CCCN3C2=O)CC1=O 253432950 QDJVRCMZBRSFDN-DBIOUOCHSA-N 277.324 0.422 0 50 CCAA Cc1ncc(C(=O)N2CCC[C@@H](N)CC2)c(=O)[nH]1 218955024 VWPIZBGYHJHGGO-SECBINFHSA-N 250.302 0.032 0 50 CCAA CCCc1nnc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)o1 71661778 XJPKULOVZGDNJN-UWVGGRQHSA-N 283.328 0.632 0 50 CCAA O=c1cc(N2CCC[C@](F)(CO)C2)nc2ccccn12 368617448 HKOPRDBRBKCISY-CQSZACIVSA-N 277.299 0.995 0 50 CCAA CCC(=O)NCCNc1cc(-n2ccnc2C)ncn1 72436852 WKODUFDBTBIRKO-UHFFFAOYSA-N 274.328 0.909 0 50 CCAA CN1CCN(c2ncccn2)C[C@@H]1c1nccn1C 373682869 QFHCQGCGRVCQRZ-LLVKDONJSA-N 258.329 0.703 0 50 CCAA O=C(N[C@@H](C(=O)O)[C@H]1CCCOC1)C1CC=CC1 262854351 UOCLVRCNAXUZAD-WDEREUQCSA-N 253.298 0.949 0 50 CCAA CCc1ccc(CN(C)C(=O)Cc2cnc[nH]c2=O)nc1 216094666 BKSONDYCBOMLJG-UHFFFAOYSA-N 286.335 0.928 0 50 CCAA CN(CCc1ccccc1)c1cnn(CCO)c(=O)c1 72150358 JMKAYQHDHACOPQ-UHFFFAOYSA-N 273.336 0.915 0 50 CCAA c1nc(NCCSc2nc[nH]n2)cc([C@H]2CCOC2)n1 426383768 IEMNQCZLXGSURO-VIFPVBQESA-N 292.368 1.303 0 50 CCAA CSCC[C@@H](NC(=O)CCn1ccc(C)n1)C(=O)O 426613592 HNOXBEVGSXIGRA-SNVBAGLBSA-N 285.369 0.904 0 50 CCAA CNC(=O)CSc1nnc([C@H]2CCCNC2)n1C 426485961 BFHWNGWDIPCNSJ-QMMMGPOBSA-N 269.374 0.120 0 50 CCAA O=C1OC[C@@H](CO)N1CCS(=O)(=O)c1ccccc1 95523651 MTJWMCVDHREYJU-SNVBAGLBSA-N 285.321 0.273 0 50 CCAA O=C(O)c1coc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)n1 91493972 TVNFITRBIODBMP-DTWKUNHWSA-N 280.280 0.915 0 50 CCAA CCCn1ccnc1-c1cn(C[C@H]2CNCCO2)nn1 95386494 WIQKSOXHXYADHT-LLVKDONJSA-N 276.344 0.540 0 50 CCAA C[C@H]1C[C@@H](c2cccnc2)N(c2nc(=N)[nH]c(=N)[nH]2)C1 624100499 VPDJHPXOSSSLOB-WPRPVWTQSA-N 271.328 0.679 0 50 CCAA CC(C)OCCC(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 299745534 QXRGPGCBUFSDGY-RKDXNWHRSA-N 296.289 0.924 0 50 CCAA Cc1nc([C@@H](C)NS(=O)(=O)N2CCCC2)n[nH]1 352513041 UHGQPDLPSUKNSS-SSDOTTSWSA-N 259.335 0.104 0 50 CCAA CC(=O)NCCC(=O)N[C@H](CC(C)C)c1ncnn1C 534642689 FOFFUHFGEADOQE-LLVKDONJSA-N 281.360 0.545 0 50 CCAA COCCc1noc(CN[C@H](C)Cn2cncn2)n1 534631680 CMZFEJAVEIMLPN-SECBINFHSA-N 266.305 0.028 0 50 CCAA Cn1cnc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c1 630129793 IWAPZGPBHMXFMH-JTQLQIEISA-N 281.312 0.516 0 50 CCAA COC(=O)c1ccnc(NC(=O)c2cncc(=O)[nH]2)c1 1940195651 VGPQZDJXECJILX-UHFFFAOYSA-N 274.236 0.204 0 50 CCAA O=C(CN1CCOCC1)N1CC[C@@H](Oc2ccccc2)C1 299774787 JCQSSQYRDLOCIR-OAHLLOKOSA-N 290.363 0.999 0 50 CCAA COc1cc(C(=O)N[C@H]2CCC(=O)N(C)C2)ccn1 584901317 BPPZEJVYCOUOAW-JTQLQIEISA-N 263.297 0.441 0 50 CCAA CS(=O)(=O)CCN1CCC[C@H](c2nc[nH]n2)C1 824864248 RLQZRLCFPSOQRD-VIFPVBQESA-N 258.347 0.029 0 50 CCAA CN(C)CCN1CCN(C(=O)C[C@H]2CCOC2)CCC1=O 584887048 VUEZATUUBOIGGH-CYBMUJFWSA-N 297.399 0.036 0 50 CCAA C[C@H](NS(=O)(=O)N1CCN(C)CC1)c1cccnc1 823791245 JASXVJZJJMJDPP-NSHDSACASA-N 284.385 0.224 0 50 CCAA COCCn1ccnc1CN(C)C[C@@H]1CCOC1 584894807 FYLGUKQFXQUHAK-LBPRGKRZSA-N 253.346 0.998 0 50 CCAA CN1CCC(CNC(=O)[C@@]2(C)CCN(C)C2)CC1 823759310 BGTVSGQPXHSZNR-AWEZNQCLSA-N 253.390 0.786 0 50 CCAA CC(C)(C)C1(NC(=O)[C@@H]2CCC(=O)NC(=O)N2)CC1 584902388 RDFOUALQOWUTTO-QMMMGPOBSA-N 267.329 0.670 0 50 CCAA CC(=O)N1CCO[C@@H](CN=c2cc(C)[nH]c(C)c2)C1 584902211 GTADCPFWYKKTCY-AWEZNQCLSA-N 263.341 0.780 0 50 CCAA Cn1[nH]nnc1=NC1CCC(C)(N2CCOCC2)CC1 1551209853 DABRXZBYULMENR-UHFFFAOYSA-N 280.376 0.077 0 50 CCAA Cn1ccnc(NC(=O)NCCn2cc(Cl)cn2)c1=O 1875277683 YEWYOJVEWBTVHK-UHFFFAOYSA-N 296.718 0.452 0 50 CCAA CCOc1ccnc(NCc2nnc3n2CCOC3)n1 1875275751 HNBFNQLENHQLSA-UHFFFAOYSA-N 276.300 0.609 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@@H]1CCO[C@H]1c1cccnc1 1875278228 KDJFRBZNQWSQNI-XQQFMLRXSA-N 278.308 0.996 0 50 CCAA COCC1(N(C)C(=O)[C@@H](C)Cn2cncn2)CC1 952968993 AHDYZRBHSHTMLQ-JTQLQIEISA-N 252.318 0.552 0 50 CCAA CCNC(=O)CNC(=O)[C@H](F)[C@H](C)C(F)(F)F 1775998995 MDPZILHEMPEPKW-CAHLUQPWSA-N 258.215 0.775 0 50 CCAA Cc1conc1C(=O)N1C[C@H](N2CCOCC2)C[C@H]1C 633022778 KUJLZWTZQYAERS-VXGBXAGGSA-N 279.340 0.918 0 50 CCAA Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](O)C2)n1 170609839 DADHMOKZPFOMIS-SNVBAGLBSA-N 263.297 0.312 0 50 CCAA CCn1c(S)nnc1CCNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 225427915 ANYRNMFHIYBMJR-OPRDCNLKSA-N 296.396 0.813 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(Cc2cnc(C3CC3)nc2)C1 643748146 ZVURBGBIBYXZBR-HNNXBMFYSA-N 290.367 0.556 0 50 CCAA Cn1c(Cn2nnn(C3CC3)c2=O)nc2ccccc2c1=O 685573108 YMOKRZMZFMIZAR-UHFFFAOYSA-N 298.306 0.070 0 50 CCAA CN1CC[C@]2(CCN(S(=O)(=O)c3ccn(C)n3)C2)C1 573202940 PNKSZHPQGAAFTH-LBPRGKRZSA-N 284.385 0.136 0 50 CCAA Cc1ccc(C(=O)N2CC[C@@H](O)C[C@H]2C(=O)O)cc1O 210055338 KVQHETJEOWYVNH-MNOVXSKESA-N 279.292 0.751 0 50 CCAA CCN1C[C@@H](CN(C)c2cnc(C(=O)O)cn2)CC1=O 1529105496 DFFQQABFRYYKEM-SECBINFHSA-N 278.312 0.479 0 50 CCAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)no1 1529106810 RXQKNXNKFAFISI-ZWNOBZJWSA-N 288.307 0.449 0 50 CCAA CCC[C@H]1COC[C@H]2CN(c3n[nH]c(=N)s3)CCN12 1875247144 RTBZTYCLQABNJO-VHSXEESVSA-N 283.401 0.640 0 50 CCAA Cc1c(CNS(=O)(=O)N2CC[C@@H](C)C2)cnn1C 408130578 DYMTWHGRACAJSB-SECBINFHSA-N 272.374 0.405 0 50 CCAA Cc1nc(C)c(S(=O)(=O)NC[C@@H](C)C(=O)O)s1 547546172 WBTRFJLSLANELZ-RXMQYKEDSA-N 278.355 0.759 0 50 CCAA Cc1sc(CNC(=O)[C@@H]2CCCO2)nc1C(=O)O 1615002285 VGLYAIGESYVMGR-ZETCQYMHSA-N 270.310 0.945 0 50 CCAA COCCN1CCN(C(=O)[C@]2(C)C[C@H](N)CCO2)C[C@@H]1C 1616036272 IDUZESMPGOHUCI-GUTXKFCHSA-N 299.415 0.062 0 50 CCAA CC(C)CCn1cc(C(=O)N2CCN[C@@H](C)C2)nn1 155020004 UECNITRNQPNZJH-NSHDSACASA-N 265.361 0.758 0 50 CCAA O=C([C@H]1CCCNC1)N1CC[C@](O)(C(F)(F)F)C1 161817826 DPLRXBSMHYGNNP-WCBMZHEXSA-N 266.263 0.512 0 50 CCAA CCS(=O)(=O)C[C@@H](C)N(C)c1nccc(OC)n1 264880493 CMGXLHLXWPVEFM-SECBINFHSA-N 273.358 0.745 0 50 CCAA Cc1nc(O)c2c(n1)CN(CC[C@H]1COCCO1)C2 1775983078 XKONDQUPSIJZSN-JTQLQIEISA-N 265.313 0.612 0 50 CCAA C[C@H](CC(F)(F)F)N1C[C@H]2[C@H](C1)C2(CO)CO 1772710540 MXBIZGAKMZTBFL-VGMNWLOBSA-N 253.264 0.860 0 50 CCAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cnc(C)nc1)C2 1857678486 HOKDBSGGODZYQX-CQSZACIVSA-N 290.323 0.842 0 50 CCAA C[C@H]1CNCCN1C(=O)c1cccc2c1O[C@H](C)C(=O)N2 125446348 RGKQHNVKAGEVGA-VHSXEESVSA-N 289.335 0.840 0 50 CCAA CCC[C@@H](NC(=O)c1cccc(C(=O)OC)n1)C(=O)O 592373457 QBWNEPCXQCJJJB-SECBINFHSA-N 280.280 0.851 0 50 CCAA CN1CCC[C@]2(CO)CCN(C(=O)c3cccn3C)C[C@@H]12 1704300438 WBDNLTDWCPFVJB-GDBMZVCRSA-N 291.395 0.944 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccc(O)c1)C2 1704326499 YDVRUWQBTCEVBH-AAEUAGOBSA-N 276.336 0.795 0 50 CCAA O=C([C@@H]1CCCN1)N1CCO[C@H]([C@H]2CCCO2)C1 237942294 WEWQJSYRMCYPEE-TUAOUCFPSA-N 254.330 0.145 0 50 CCAA C[C@H](NC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O)[C@@H]1CCCO1 239222098 UJGOJRKBMOWWKF-UFFGRJIKSA-N 281.308 0.324 0 50 CCAA O=C(N[C@]1(CO)CCOC1)[C@@H]1Cc2ccccc2O1 182892008 AGJFLUIMHWEDRA-JSGCOSHPSA-N 263.293 0.258 0 50 CCAA Cc1ccc(S(=O)(=O)N(CCO)C[C@@H](C)O)cc1 393910 WWOVSKZHPUOOJS-LLVKDONJSA-N 273.354 0.359 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cncc(O)c1)C2 2356145739 UELMJPQSYWBVHG-FZMZJTMJSA-N 278.308 0.522 0 50 CCAA COCCN1Cc2nnc(C3CC3)n2[C@@H](C)C1=O 2356158757 YFUHSKNBTKDLIN-QMMMGPOBSA-N 250.302 0.705 0 50 CCAA COc1ccc(Cl)cc1S(=O)(=O)NCCO 4857436 VNJCRDDQUSLZOZ-UHFFFAOYSA-N 265.718 0.619 0 50 CCAA Cc1[nH]c2nc(-c3cccnc3)nn2c(=O)c1CCC(=O)O 20153856 IXOGANTYGWOTRL-UHFFFAOYSA-N 299.290 0.805 0 50 CCAA O=P(O)(O)C(COCc1ccccc1)P(=O)(O)O 22340767 PMWUJXVXGMZLGE-UHFFFAOYSA-N 296.152 0.885 0 50 CCAA CCc1nnc2ccc(N(C)[C@@H](C)C[S@@](C)=O)nn12 252533037 FTRKKJAZJQFVNQ-ZRNGKTOUSA-N 281.385 0.890 0 50 CCAA CC(C)C[C@@H]1C(O)=NCCCN1CC(=O)N1CCOCC1 328802480 ZXOJJRRLCYEIMO-CYBMUJFWSA-N 297.399 0.922 0 50 CCAA CC1(C)CNC(=O)CN1C(=O)[C@H]1COc2ccccc2O1 282750788 SMSYZEHQDUPJCK-GFCCVEGCSA-N 290.319 0.563 0 50 CCAA C[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@@H](C)N1 521394615 LNWFBKPIXXZPNE-IJLUTSLNSA-N 256.346 0.391 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H]1CCN(c2cccnc2)C1 361468020 ZWOUTUIWPKYMSM-DIECRNLCSA-N 274.368 0.894 0 50 CCAA C[C@H]1CN(C(=O)CN2CCCCC2=O)C[C@H](C)N1 153931423 MNNMJDMBLZEWAB-QWRGUYRKSA-N 253.346 0.208 0 50 CCAA COc1ccncc1NC(=O)[C@@]1(C)CCCNC1=O 365184803 UBAVAORCKFJMKG-ZDUSSCGKSA-N 263.297 0.945 0 50 CCAA CN(C)c1ccc(C(=O)N2CCC[C@@H]2C(=O)O)nn1 155798027 ITXPXMZACWXGPJ-SECBINFHSA-N 264.285 0.232 0 50 CCAA C[C@@H]1CC(=O)NCCN1C(=O)CCOC1CCOCC1 370288428 FBGVNVKVBBTZPT-LLVKDONJSA-N 284.356 0.309 0 50 CCAA O=C(O)CN1CCOC[C@@H]1C[C@H](O)c1cccs1 262649060 KUIYRUCZWSZZPW-UWVGGRQHSA-N 271.338 0.957 0 50 CCAA Cc1cc(N)n(CC(=O)NCCCc2c(C)n[nH]c2C)n1 221399012 QCWXJJOQQHWOPV-UHFFFAOYSA-N 290.371 0.863 0 50 CCAA C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(C(=O)O)cc1 263555881 OGFPPCRANLBNGA-CABZTGNLSA-N 299.348 0.982 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(CO)cc1 222343166 PBZRPRQZGADLNT-CHWSQXEVSA-N 265.309 0.713 0 50 CCAA COc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CCCNC1 178029764 QKZIJNKNCKXAMA-YPMHNXCESA-N 278.352 0.844 0 50 CCAA CN1C[C@@H](C(=O)N2CCC(c3ncon3)CC2)CC1=O 426377994 MTGGVPFSDHEOSV-JTQLQIEISA-N 278.312 0.254 0 50 CCAA O=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=O)[nH]1 221882726 JBXAKQJKSGOFNP-UHFFFAOYSA-N 258.159 0.539 0 50 CCAA Cc1cc(=O)c(C(=O)N2CCN3CCC[C@@H]3C2)cn1C 426419922 HIBWQOQCBBDRHB-GFCCVEGCSA-N 275.352 0.614 0 50 CCAA CCC(C)(C)NC(=O)Cn1ncc(N(C)C)cc1=O 95377005 NWPTWZDITMFCNY-UHFFFAOYSA-N 266.345 0.614 0 50 CCAA O=C(Cn1cnnc1)N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1 243919509 BOKIHEBIPSRYRT-GUTXKFCHSA-N 286.335 0.907 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)c2ccccc2-n2cnnn2)C1 269205521 UETAVXKTSNOHHM-SECBINFHSA-N 287.279 0.209 0 50 CCAA CC(C)N1C(=O)N[C@@]2(CCN(C[C@H]3CCCO3)C2)C1=O 299754011 JSVLQPIYFUQUCR-BXUZGUMPSA-N 281.356 0.570 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)COC[C@@H]1CCCO1 299746750 ZOLIFQIKRHJBHN-UWVGGRQHSA-N 257.286 0.258 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)CCc1ccncc1 534660384 KPDLRGSJGYQVSR-STQMWFEESA-N 264.325 0.934 0 50 CCAA O=C(C[C@@H]1CCCOC1)N1CCN(c2nc[nH]n2)CC1 299760210 HUXRXUKSQUOKAR-NSHDSACASA-N 279.344 0.270 0 50 CCAA CC(=O)Nc1cc(CN)cc(C(=O)N2CCN(C)CC2)c1 299796163 NRSOMDAAYGLEFQ-UHFFFAOYSA-N 290.367 0.491 0 50 CCAA CN1CCN(C)[C@H](CNC(=O)CN(C)C2CCCC2)C1 823784322 JFAOAVPEZRRJHJ-CQSZACIVSA-N 282.432 0.223 0 50 CCAA CC(C)(C)n1nc(CC(N)=O)nc1-c1cncnc1 826841982 GMPUAUQXOFUIRD-UHFFFAOYSA-N 260.301 0.518 0 50 CCAA CNC(=O)c1noc(Cn2cnc3cc(C)ccc3c2=O)n1 670447785 HOUXWFSCKPDSIO-UHFFFAOYSA-N 299.290 0.496 0 50 CCAA Cc1ncn(C)c1C(=O)N[C@]1(C)CCS(=O)(=O)C1 670450075 YZIPIBANQSAWDA-LLVKDONJSA-N 271.342 0.036 0 50 CCAA CN(C)[C@H]1C[C@H](NS(=O)(=O)c2ncc[nH]2)C12CCC2 952882165 JBJPDBWYIDAMHK-UWVGGRQHSA-N 284.385 0.561 0 50 CCAA CN(C[C@@H](O)Cn1cnc2cccnc2c1=O)C1CC1 1875279349 UAMVRFYEWAYJGT-LLVKDONJSA-N 274.324 0.247 0 50 CCAA Cc1cc2n(n1)CCN(C[C@H]1CCNC(=O)CC1)C2 1875281498 DLXMMDCESSPBTO-GFCCVEGCSA-N 262.357 0.923 0 50 CCAA CN1CCC(O)(C2(C(=O)NC3CCC3)CC2)CC1 1875323811 UVXRGUGKAGQWGU-UHFFFAOYSA-N 252.358 0.892 0 50 CCAA CO[C@H]1CCCCN(CC(=O)NCc2ncoc2C)C1=O 886074621 HXHLUAITRPDFSI-LBPRGKRZSA-N 295.339 0.627 0 50 CCAA O=C(C1CC2(C1)CS(=O)(=O)C2)N1CC(OC(F)F)C1 1773578865 YCKPMNUBDDJJLH-UHFFFAOYSA-N 295.307 0.261 0 50 CCAA C[C@@H]1CC[C@H](CC(=O)NCCN2CCNC2=O)C1 894582441 SZVQUGLDOJQNLD-MNOVXSKESA-N 253.346 0.954 0 50 CCAA C=CS(=O)(=O)CCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O 1776007177 WDXBKKWLLRJYNM-DCAQKATOSA-N 272.370 0.131 0 50 CCAA Cn1c(O)nc(N[C@@H](CO)c2ccc(F)cc2F)cc1=O 1363152195 HGXXBEHBAYASHK-JTQLQIEISA-N 297.261 0.910 0 50 CCAA O=C(O)[C@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@@]23C=C[C@H]1O3 169304405 YOOFQLMTHFOERW-BIAAXOCRSA-N 275.260 0.646 0 50 CCAA in-vitro Cc1csc(CN2CC[C@@H](S(N)(=O)=O)C2)n1 407948909 LXPBCKWNCZWXMD-MRVPVSSYSA-N 261.372 0.314 0 50 CCAA CCCN1CCCN(C(=O)[C@@H]2C[C@H](OC)CN2C)CC1=O 408048986 SUNUODXHGDCBSR-STQMWFEESA-N 297.399 0.176 0 50 CCAA CN(CCN(C)C1CC1)C(=O)[C@@H]1CC[C@H]1C(N)=O 408518001 RKADSLSAPPMMDQ-GHMZBOCLSA-N 253.346 0.051 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(c2nnc(C3CC3)o2)C1 643718971 NKTZVXGRULGUAV-AWEZNQCLSA-N 294.355 0.757 0 50 CCAA Cc1ccc(F)cc1S(=O)(=O)N[C@H]1CCNC[C@@H]1O 710390920 AYTOSXIRERIUAH-QWRGUYRKSA-N 288.344 0.135 0 50 CCAA Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)c1C 564253131 SPUPAJVCFDYZTG-SECBINFHSA-N 289.343 0.545 0 50 CCAA Cc1occc1C(=O)NS(=O)(=O)c1cnc2n1CCC2 789788192 OMNDKZDZUWEZBF-UHFFFAOYSA-N 295.320 0.849 0 50 CCAA CN1CC[C@](C)(CN(C)C(=O)CCS(C)(=O)=O)C1 1506417898 CHMDNDAWNUCMOR-LBPRGKRZSA-N 276.402 0.221 0 50 CCAA CCN(CCN1CCOCC1)C(=O)c1cc(=O)cc(C)o1 1506396311 RFLRBWWSAVXKGU-UHFFFAOYSA-N 294.351 0.743 0 50 CCAA COCCN1CC[C@H](CN(C)Cc2cc(O)nc(O)n2)C1 1529120989 WZKPAGLRYZJWBB-LLVKDONJSA-N 296.371 0.288 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@H]1CCCCCC[C@@H]1O 1857666738 NNWMWQINIXVGPS-UWVGGRQHSA-N 252.318 0.927 0 50 CCAA O=C(c1cn[nH]c1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857736061 JCGCMGVDFQQKES-MIMYLULJSA-N 251.286 0.022 0 50 CCAA CC[C@H]1CCCCN1CCNC(=O)[C@H]1COCCO1 245344070 XFXQFWADZWXKHJ-QWHCGFSZSA-N 270.373 0.783 0 50 CCAA CC(C)n1cnnc1CN1C[C@H]2CCN(C)C(=O)[C@H]2C1 1772815766 VVXWQIOCCCRKIM-NEPJUHHUSA-N 277.372 0.769 0 50 CCAA Cc1noc(CN(C)C[C@@H]2CCC(=O)N(C)C2)n1 1775981270 CHTWLTPLVUTYGV-JTQLQIEISA-N 252.318 0.678 0 50 CCAA COCCNC(=O)[C@@H]1CC(c2ccc(OC)cc2)=NO1 5029197 RMDWEAHCRUKXDU-ZDUSSCGKSA-N 278.308 0.951 0 50 CCAA Cc1cc(S(=O)(=O)N(CCO)CCO)ccc1Cl 11566238 OPBGHIRAXACYEQ-UHFFFAOYSA-N 293.772 0.624 0 50 CCAA C[C@@H](CN1CCCN(c2ncccn2)CC1)n1cncn1 19850268 KTIKXKGMXSHSNF-ZDUSSCGKSA-N 287.371 0.841 0 50 CCAA O=S(=O)(c1ccccc1)N1N=Cc2ccccc2B1O 169794892 XNZIFENVMPLZJP-UHFFFAOYSA-N 286.121 0.413 0 50 CCAA Cc1ccc2nc(C(=O)N3C[C@@H]4C[C@H]3C(=O)N4)c(F)n2c1 1857678789 AQJRLJUNQCIRHA-IUCAKERBSA-N 288.282 0.495 0 50 CCAA CO[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1c1cnn[nH]1 622165871 VIZZBROWAWISSI-GZMMTYOYSA-N 279.275 0.527 0 50 CCAA C[C@@](O)(CNC(=O)CCc1cccc(F)c1F)C(=O)O 262534409 QCFDGPDGNVBTSR-CYBMUJFWSA-N 287.262 0.849 0 50 CCAA CC1(C)[C@@H](NC(=O)c2cnn(C3CCC3)c2)CS1(=O)=O 823398791 MMZBWBSPTLDOIR-NSHDSACASA-N 297.380 0.914 0 50 CCAA COc1ccccc1OCCNC(=O)c1nc[nH]n1 6174976 IBWVHTHATALUPR-UHFFFAOYSA-N 262.269 0.622 0 50 CCAA O=C(O)CCCNC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 263501342 VOOMSVIANRTZJE-VHSXEESVSA-N 283.328 0.304 0 50 CCAA C[C@@H](N1CCN(Cc2nnnn2C)CC1)C(F)(F)F 408365427 GWKGWYQNICQIRW-MRVPVSSYSA-N 278.282 0.279 0 50 CCAA COC(=O)[C@]1(C)CCN(C[C@H](O)C(F)(F)F)C1 121485195 LCVIBLULVYCUII-IONNQARKSA-N 255.236 0.795 0 50 CCAA COc1ccc(CCNC(=O)c2nonc2N)cc1OC 53518 MOHCMZUBRWEQII-UHFFFAOYSA-N 292.295 0.642 0 50 CCAA CCn1c(SCC(N)=O)nnc1-c1cccnc1 422168 NABVNSVFFKCVAJ-UHFFFAOYSA-N 263.326 0.937 0 50 CCAA OC[C@@H]1C[C@H](F)CN1c1ccnc(N2CCOCC2)n1 344084331 DDYXZRHWEGAWNP-QWRGUYRKSA-N 282.319 0.222 0 50 CCAA CN(C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1 2855049 KUKCULUTMOKIRK-UHFFFAOYSA-N 269.732 0.956 0 50 CCAA NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 4867655 VJIYOBZCRHJBFY-UHFFFAOYSA-N 262.718 0.494 0 50 CCAA CC[C@H](C(=O)N1CCC(O)(CO)CC1)n1cccn1 67790434 WIPZOVNWAIDQPB-LLVKDONJSA-N 267.329 0.180 0 50 CCAA C[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 249515674 CTTCIXPWSNJDEY-GARJFASQSA-N 290.385 0.382 0 50 CCAA Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCNCC1 237561639 JFBVPUVSZLTMLT-UHFFFAOYSA-N 278.356 0.421 0 50 CCAA CS(=O)(=O)CCC(=O)NCCN1CCCCC1 129547251 BRAFMRTVULWMDM-UHFFFAOYSA-N 262.375 0.023 0 50 CCAA CCOC(=O)c1c(N)sc2c1CCN(CCO)C2 31829546 LUBRYTHRIOLDRX-UHFFFAOYSA-N 270.354 0.857 0 50 CCAA C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Cc1ccoc1 330635953 NCMFBNAQULCOMG-DGCLKSJQSA-N 266.341 0.736 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccnn2C(C)C)C1 284452141 BOZXABHYPGUETE-RYUDHWBXSA-N 266.345 0.539 0 50 CCAA C[C@@H](CNC(=O)Cc1ccc2c(c1)OCCO2)C(=O)O 262407059 BPSKLTFPYWUXJA-VIFPVBQESA-N 279.292 0.837 0 50 CCAA CN1CC2(CCN(C[C@@H]3CCCNC3)CC2)OC1=O 72418669 XNLGZUHMHKJTKB-GFCCVEGCSA-N 267.373 0.903 0 50 CCAA CCc1ccc(CNC(=O)CCn2cncn2)nc1 223288543 KLERIQKPTGJUTH-UHFFFAOYSA-N 259.313 0.942 0 50 CCAA O=S(=O)(NCC(F)(F)F)c1cnn([C@H]2CCOC2)c1 288634682 SBYIKRANOLOGHB-ZETCQYMHSA-N 299.274 0.685 0 50 CCAA COC[C@@H]1[C@@H](Nc2nccnc2OC)[C@@H]2CCO[C@@H]21 223463562 YAVUHQIWABEZTM-VLEAKVRGSA-N 265.313 0.947 0 50 CCAA CC(=O)Nc1cc(C(=O)N2CCC[C@H]2CO)ccn1 528899868 CWTXYKHBMUZPNX-NSHDSACASA-N 263.297 0.637 0 50 CCAA CC[C@@H](C(=O)N1CCC([C@H](C)N)CC1)N1CCCC1=O 178826589 OTRXKAPSOWZXIQ-AAEUAGOBSA-N 281.400 0.973 0 50 CCAA CC(C)n1cccc1C(=O)NCc1c[nH]c(=O)[nH]c1=O 220179026 RSHOUOSPZXBBRS-UHFFFAOYSA-N 276.296 0.376 0 50 CCAA O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1 222191319 KZLYJYOGHUSRFA-FJJYHAOUSA-N 271.272 0.492 0 50 CCAA COc1cc(C(=O)O)cc(C(=O)NCC(=O)NC2CC2)c1 426651415 VDVSQSAJKHCWFE-UHFFFAOYSA-N 292.291 0.402 0 50 CCAA CCc1cnc(N)nc1N[C@@H]1C[C@@H](CO)N(C)C1 95377966 DKDMYNMNGGQRQU-ZJUUUORDSA-N 251.334 0.098 0 50 CCAA C[C@H](C(=O)NCc1nc(C(F)(F)F)n[nH]1)N(C)C 426379645 HCINUDQJMIJJRN-RXMQYKEDSA-N 265.239 0.390 0 50 CCAA CC(C)Cc1noc([C@H](C)NC(=O)Cc2nc(O)n[nH]2)n1 426548738 HQYOQMFTRCDLBB-ZETCQYMHSA-N 294.315 0.512 0 50 CCAA C[C@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H]2CCNC2)C[C@@H](C)O1 237615705 IYZQLEFAGDWDHQ-BARDWOONSA-N 295.427 0.696 0 50 CCAA CCCn1cnnc1[C@H](C)NC(=O)C(C)(C)NC(C)=O 426377984 LMMFEFQKRJFRGS-VIFPVBQESA-N 281.360 0.780 0 50 CCAA CCN1C[C@H](C(=O)N(C)Cc2ccon2)CC1=O 91616640 HOCXHEGPKFIYNV-SECBINFHSA-N 251.286 0.501 0 50 CCAA O=C1CCCN1CCc1nc([C@H]2CCOC2)no1 96133800 GNPJKUWHQPKISE-VIFPVBQESA-N 251.286 0.738 0 50 CCAA Cc1sc2ncc(C(=O)N3CCNCC3)c(=O)n2c1C 181345002 TVDCWIUYPOBYJH-UHFFFAOYSA-N 292.364 0.418 0 50 CCAA CCN1CCC[C@@](C)(C(=O)NCCc2nnc(N)s2)C1 91536059 IKERPZKYTZVDKP-CYBMUJFWSA-N 297.428 0.901 0 50 CCAA Nc1ccnc(CN2CCCC[C@@H]2c2nc[nH]n2)n1 182734723 OXEVTHSPVLYPPO-SECBINFHSA-N 259.317 0.904 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)N[C@H](CC(C)C)C(=O)O 299747428 CZJGJEPIGWIFAF-ZJUUUORDSA-N 288.369 0.523 0 50 CCAA CO[C@]1(C)C[C@H](NC(=O)[C@H]2COCCN2)C1(C)C 299739282 MUJRZYOMZLHQPE-GBIKHYSHSA-N 256.346 0.295 0 50 CCAA COc1coc(C(=O)Nc2cccn3nnnc23)cc1=O 524734744 JPNQYJCPRGLCJZ-UHFFFAOYSA-N 287.235 0.338 0 50 CCAA CC(C)CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 623379466 RVIUSMVNRUBHSR-JTQLQIEISA-N 264.329 0.545 0 50 CCAA CSCCN1CCN(C(=O)c2cnc[nH]2)CC1 299759050 MZEPHLJABNVKBV-UHFFFAOYSA-N 254.359 0.531 0 50 CCAA Cc1nc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)no1 299759116 NQTGFHOLRKFEGP-LBPRGKRZSA-N 294.355 0.416 0 50 CCAA COCCN1CC[C@H](CNC(=O)CN2CCCC2)C1 824412484 XMPSFAVSIXCEPX-CYBMUJFWSA-N 269.389 0.167 0 50 CCAA O=C1CCCCN1CCCC(=O)N1CCC[C@H]1CO 828784092 JANXLYHTHRQANR-LBPRGKRZSA-N 268.357 0.762 0 50 CCAA CSc1nc(N)cc(NCCN2CCC[C@H](CO)C2)n1 828711084 CVYFDVKNUXECBI-JTQLQIEISA-N 297.428 0.897 0 50 CCAA CN1CCN(C(=O)CCc2ccncc2)C[C@@H]1CCO 584898515 YGFCCMXYPOTJHL-AWEZNQCLSA-N 277.368 0.539 0 50 CCAA OCC(CO)N[C@@H](Cn1cccn1)c1ccccc1 584898022 VFWVQGIOAOCTMF-AWEZNQCLSA-N 261.325 0.567 0 50 CCAA CC(C)(O)[C@@H]1CCN(Cc2c[nH]nc2C(=O)O)C1 670456158 SYTVFOZHGGYHNV-SECBINFHSA-N 253.302 0.701 0 50 CCAA CC(C)C(=O)N1CCC[C@H](NC(=O)c2ncc[nH]c2=O)C1 670448488 QUJVVKSPHSMTTN-JTQLQIEISA-N 292.339 0.147 0 50 CCAA Cc1ccc2ncc(C(=O)N3C[C@@H](CO)C[C@@H]3CO)n2c1 1875286382 RYZYLXXYPPFKOK-NWDGAFQWSA-N 289.335 0.458 0 50 CCAA CN(Cc1ccc(C(N)=O)cc1)c1ccnc(C(N)=O)c1 1875261687 USONWRIUIIUEEA-UHFFFAOYSA-N 284.319 0.916 0 50 CCAA CN(C)c1cccc(Cn2nnn(C3CC3)c2=O)n1 1166269265 YMVMTFIZWZVECR-UHFFFAOYSA-N 260.301 0.284 0 50 CCAA Cc1noc(C[C@]2(O)CCCN(CCn3ccnc3)C2)n1 886079615 GQZZDYDKKFBQPT-CQSZACIVSA-N 291.355 0.644 0 50 CCAA Oc1ncnc2c1CN(c1ncnc3[nH]cnc13)CC2 1343581658 NQZNHZODQCPGOU-UHFFFAOYSA-N 269.268 0.411 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2nccn2C)[C@H]2CCO[C@H]21 1565527121 MKHKRLSULZSOAY-VPOLOUISSA-N 265.313 0.200 0 50 CCAA CC(C)[C@H](Sc1cnccn1)C(=O)NC(N)=O 169997850 FKIYOYRJYIRBCR-QMMMGPOBSA-N 254.315 0.788 0 50 CCAA CO[C@@H]1CN[C@H](C(=O)N2CCC(c3cnn(C)c3)CC2)C1 583618113 DOBGXZVMZLHHGH-KBPBESRZSA-N 292.383 0.503 0 50 CCAA C[C@H]1CCCN[C@H]1CNC(=O)CCCn1cncn1 408525448 CRWMDZRAVICYSB-RYUDHWBXSA-N 265.361 0.563 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2CN)C1 111372756 XGLSZGZIPJJKHS-GHMZBOCLSA-N 261.391 0.386 0 50 CCAA Cn1nccc1[C@H](NC(=O)C[C@@H]1CCCC[C@H]1O)C(=O)O 647769418 WPGCWZYBMZEGPO-NDMJEZRESA-N 295.339 0.603 0 50 CCAA Nc1nc(N)nc(SCC2(O)CCSCC2)n1 656689800 CGYLJDPADWBLMH-UHFFFAOYSA-N 273.387 0.386 0 50 CCAA Cc1cc(C)cc([C@@H](O)CN2CC[C@@H](S(N)(=O)=O)C2)c1 772228380 WOSJLLOMDHYZHK-KGLIPLIRSA-N 298.408 0.700 0 50 CCAA COCCN1CCN(C(=O)CCc2cn[nH]c2)CC1 97551240 JPEYSYNCQVGKQS-UHFFFAOYSA-N 266.345 0.133 0 50 CCAA CN1CCC[C@@H](C(=O)Nc2cnn3c2NCCC3)C1 1506402556 IOCXPRQGNGBYQZ-SNVBAGLBSA-N 263.345 0.979 0 50 CCAA CCn1cc(C(=O)Nc2nonc2NC(C)=O)cn1 1506426914 KCXQGJHRBYYFFN-UHFFFAOYSA-N 264.245 0.497 0 50 CCAA CSCC(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529162166 XVMVNCSZXIURGG-MWLCHTKSSA-N 267.354 0.201 0 50 CCAA CCC(=O)N1CCC[C@H]1C(=O)Nc1nccn1C 1529091971 SZZABUAAPNTAGC-VIFPVBQESA-N 250.302 0.760 0 50 CCAA Cc1nonc1CNc1nccc(N2CCC[C@H](O)C2)n1 1704340439 IKSDCGGGRFGODH-JTQLQIEISA-N 290.327 0.741 0 50 CCAA O=C(N[C@H]1COC[C@H]1n1ccnn1)c1ccsn1 333565200 LNOWUYAMRRALKQ-DTWKUNHWSA-N 265.298 0.105 0 50 CCAA O=S(=O)(c1nnnn1-c1ccccc1)C(F)F 1772715465 WNLSBPHEZWSKQL-UHFFFAOYSA-N 260.225 0.659 0 50 CCAA CN1CC2(CCN(CC[C@H]3COCCO3)CC2)OCC1=O 1775984219 KINHLYMUPQBBKB-ZDUSSCGKSA-N 298.383 0.115 0 50 CCAA COc1cc2c(=O)n(C)c3nncn3c2cc1OC 12652055 MPOHWLXPEIYITR-UHFFFAOYSA-N 260.253 0.598 0 50 CCAA NC(=O)c1cn(CCc2ccc3c(c2)CCO3)nn1 853678974 SFOCQIIFIGLFDY-UHFFFAOYSA-N 258.281 0.555 0 50 CCAA Cc1ccc(CN[C@H]2C[C@H]3C(=O)N[C@H](C)C(=O)N3C2)cc1 14731879 VFLHARUVELPUAB-XBFCOCLRSA-N 287.363 0.572 0 50 CCAA Cc1cc(NC(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)no1 328629531 OXLXDXFJVDNHIE-SNVBAGLBSA-N 290.327 1.227 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1cccc2c1OCC(=O)N2 124616121 BPUCWXNXFDIQLP-SECBINFHSA-N 275.308 0.451 0 50 CCAA CNC(=O)CC(=O)N1CCC[C@H]1CNc1cccc(C)n1 372241109 MEYPQUCGSXNXLL-LBPRGKRZSA-N 290.367 0.929 0 50 CCAA Cc1noc2ncn(C[C@](C)(O)C(F)F)c(=O)c12 905964752 HFFQPRNFTDOFOF-JTQLQIEISA-N 259.212 0.709 0 50 CCAA CCO[C@H]1CCN(C(=O)Nc2ccc(C(=O)NC)nn2)C1 931829616 WHYYEHCVDKBDKT-VIFPVBQESA-N 293.327 0.479 0 50 CCAA N[C@@H](CNC(=O)c1ccc(-n2cccn2)nc1)C1CC1 834401189 RZUMIZWRAZYYQZ-LBPRGKRZSA-N 271.324 0.734 0 50 CCAA C=CC(=O)N(C)CC(=O)N1C[C@H](COC)OC(C)(C)C1 861613973 CLVZHONBWXRYIE-LLVKDONJSA-N 284.356 0.283 0 50 CCAA C[C@@](O)(CN1CCn2ncnc2C1)C(F)(F)F 407957877 OLCZFCWSRVLVAJ-MRVPVSSYSA-N 250.224 0.407 0 50 CCAA CC[C@@H]1CN(C(=O)[C@@H](CCSC)NC(=N)O)C[C@@H]1O 330514149 LCAGWQVMFIXRAO-BBBLOLIVSA-N 289.401 0.420 0 50 CCAA O=C(c1cn[nH]c1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 2100547216 FCIVLSHAYKEXGJ-CHWSQXEVSA-N 276.340 0.345 0 50 CCAA O=C(NOC[C@@H]1CCOC1)C1CN(c2ncc(F)cn2)C1 2325791615 ZTCDSWKKRDPTSQ-SECBINFHSA-N 296.302 0.136 0 50 CCAA CCCN1Cc2nnc(Cn3cccn3)n2[C@@H](C)C1=O 2356160072 BSYNLRZBOFFGRU-JTQLQIEISA-N 274.328 0.836 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 4869177 QHIRPQSRSVRELF-UHFFFAOYSA-N 298.364 0.376 0 50 CCAA CNS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 10008955 YSBRAMSHRKDCDP-UHFFFAOYSA-N 286.353 0.742 0 50 CCAA CCCCCn1c(S)nc2c1c(=O)[nH]c(=O)n2C 100297936 LEHXMIBBTIFUKV-UHFFFAOYSA-N 268.342 0.902 0 50 CCAA COC(=O)/C=C1\SC(=O)N(CN2CCOCC2)C1=O 20462260 WNTPFCUOPISUGP-VURMDHGXSA-N 286.309 0.028 0 50 CCAA COC(=O)[C@H](c1ccc(F)cc1)N1CC[C@@H](C(N)=O)C1 229366039 JHUHJKCRZOJENP-PWSUYJOCSA-N 280.299 0.847 0 50 CCAA CCc1ccc(/C=C/C(=O)NC(C)(CO)CO)o1 120598271 HQACTHNWNASRPL-VOTSOKGWSA-N 253.298 0.715 0 50 CCAA C[C@@H]1C[C@H](NC(=O)c2cnnn2C)C(=O)N1c1ccccc1 253394773 DQXSZXNQNCVOHX-PWSUYJOCSA-N 299.334 0.739 0 50 CCAA O=C1Cc2c(O)nc(=O)n(Cc3ccccc3)c2N1 521398854 OKQBWUXQVFWYJZ-UHFFFAOYSA-N 257.249 0.492 0 50 CCAA Cc1cc(CS(=O)(=O)N2CCC[C@@H](N(C)C)C2)on1 330132018 LGAKWSZFKVITFH-LLVKDONJSA-N 287.385 0.839 0 50 CCAA Cc1[nH]ncc1S(=O)(=O)N1CCN2CCC[C@H]2C1 240786068 HZYSZVWIFZYULP-JTQLQIEISA-N 270.358 0.187 0 50 CCAA Cc1ccc(N2CC[C@H](C(=O)N3CC[C@H](N)C3)C2=O)cc1 132699004 FASWWUGBENMMPE-GXTWGEPZSA-N 287.363 0.908 0 50 CCAA COC1CCC(NC(=O)N[C@@H]2CCCN(C)C2=O)CC1 528009168 IRFFRDYQMZRBQO-HTAVTVPLSA-N 283.372 0.864 0 50 CCAA Cc1cc(C)n([C@H](C)CNC(=O)CN(C)C(N)=O)n1 426430617 DRCOCXXEVJFIGN-SNVBAGLBSA-N 267.333 0.188 0 50 CCAA CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ncc[nH]1 426535869 MCTDJKDYHDNKEI-GFCCVEGCSA-N 295.387 0.662 0 50 CCAA Cc1cccn2cc(C(=O)NCc3nc(N)n[nH]3)nc12 426550078 SBHASAQTTGPGSL-UHFFFAOYSA-N 271.284 0.273 0 50 CCAA OC[C@H]1CCCN1c1cc(NC2(CO)CCC2)ncn1 292978189 HSUYRNTWOOIUER-LLVKDONJSA-N 278.356 0.765 0 50 CCAA NC(=O)c1noc(Cn2cccc(C(F)(F)F)c2=O)n1 95520251 BCPLKQAANRGQAQ-UHFFFAOYSA-N 288.185 0.397 0 50 CCAA CNC(=O)[C@@H]1CCN(c2nnc(C(C)(C)C)o2)C1 95368273 QFDLZXVTGOJONJ-MRVPVSSYSA-N 252.318 0.939 0 50 CCAA C[C@@H](O)CNC(=O)c1cnc(-c2ccccn2)nc1 426442488 FDNRMFYJRHRDIR-SECBINFHSA-N 258.281 0.649 0 50 CCAA COc1ccnc(N2CCN(c3nnc(C)o3)CC2)n1 95389503 WIUOJHYZFSTVQL-UHFFFAOYSA-N 276.300 0.503 0 50 CCAA Cc1ccc(-n2cc(C(=O)N3CC[C@H](N)C3)nn2)cc1 237829612 LMFKNLLLBMOJBB-NSHDSACASA-N 271.324 0.749 0 50 CCAA Cc1nc(N)nc(C)c1CC(=O)N1CC[C@](C)(O)[C@H](C)C1 91745930 QFAGMURWKHVVKA-PSLIRLAXSA-N 292.383 0.838 0 50 CCAA O=C(O)CCCC(=O)NC1CCN(c2cnccn2)CC1 243885645 ABEJSPYRDAZREA-UHFFFAOYSA-N 292.339 0.817 0 50 CCAA CN(CC(=O)Nc1ccc(C(N)=O)cc1)CC1(C)COC1 244842334 UOQWEWCGLCHZDM-UHFFFAOYSA-N 291.351 0.692 0 50 CCAA Cc1ccc(CCNC(=O)CN2CC[C@@H](N(C)C)C2)o1 244723817 MHUYWWNPHFZKGM-CYBMUJFWSA-N 279.384 0.883 0 50 CCAA CCCCO[C@H](C)C(=O)N1CCO[C@@H](C(=O)O)C1 299748181 GJHJKNMPJYVFQS-NXEZZACHSA-N 259.302 0.504 0 50 CCAA CC(C)c1nc(NC(=O)c2ccc3nnnn3c2)n[nH]1 253403627 HHEDXPKOTGGLPL-UHFFFAOYSA-N 272.272 0.618 0 50 CCAA Cc1cnn(CCCNC(=O)N2CCC[C@@H]2C(N)=O)c1 534658768 BCTWINLWTHZYBP-LLVKDONJSA-N 279.344 0.241 0 50 CCAA CCN(C)S(=O)(=O)NCc1nc(O)c2ccccc2n1 632526802 CDFGTVMFDPPPSD-UHFFFAOYSA-N 296.352 0.622 0 50 CCAA CC(C)c1ncc(C(=O)N(CCN(C)C)CC(=O)O)cn1 823692200 YYDOYGDCYSUZIL-UHFFFAOYSA-N 294.355 0.688 0 50 CCAA Cc1ccc(OC2CN(S(=O)(=O)N(C)C)C2)cc1 825178324 ZKCYDLBRNMOGRH-UHFFFAOYSA-N 270.354 0.864 0 50 CCAA COCCc1ncc(CN2CC[C@@H](OC)C2)cn1 824462344 IEWRCIMYWPXYHJ-GFCCVEGCSA-N 251.330 0.886 0 50 CCAA Cc1c[nH]ccc1=NCCNS(=O)(=O)C(C)C 670436800 QKFCDDUYOXZCTF-UHFFFAOYSA-N 257.359 0.552 0 50 CCAA C1CC(Cn2nnnc2Cn2nnnc2C2CC2)CCO1 685944061 CYUBZIXNSYMMRC-UHFFFAOYSA-N 290.331 0.012 0 50 CCAA Cc1cc(N)nc(N2CCN(CCO)C(C)(C)C2)n1 871101476 QAAUKEFCMNCHHJ-UHFFFAOYSA-N 265.361 0.260 0 50 CCAA NC1CC(O)(CNC(=O)c2nccc3ccsc23)C1 1875319628 KYRRRIINMNLZEM-UHFFFAOYSA-N 277.349 0.878 0 50 CCAA COC(=O)/C=C/CNC(=O)CCc1nn(C)cc1Cl 1875312231 XULXJPRPHWXFKW-ONEGZZNKSA-N 285.731 0.852 0 50 CCAA COC(=O)c1cc(C2CCN(C[C@H](C)O)CC2)[nH]n1 1875300603 KBWSECIQELPERK-VIFPVBQESA-N 267.329 0.757 0 50 CCAA C[C@@]1(C2CC2)COCCN1C(=O)Cc1nc[nH]n1 890590890 LAOKQGSAINXLID-LBPRGKRZSA-N 250.302 0.375 0 50 CCAA CC(C)C(=O)N[C@H]1CCN(Cc2cscn2)C[C@@H]1O 1090089671 XAKGCCOQDYVRMW-RYUDHWBXSA-N 283.397 0.851 0 50 CCAA Cc1c(-c2cc(Cn3nnnc3C)on2)cnn1C 186228793 LJWCQGXRGIDRPB-UHFFFAOYSA-N 259.273 0.727 0 50 CCAA CC[C@@H](CO)Sc1nnnn1C[C@H]1CCCO1 585138696 IMXBNDRGKDOGFV-BDAKNGLRSA-N 258.347 0.715 0 50 CCAA CCn1ccnc1CNS(=O)(=O)c1c(C)nn(C)c1C 585115032 JPSGUKLLWVYZPH-UHFFFAOYSA-N 297.384 0.732 0 50 CCAA Cc1ncc(S(=O)(=O)N2CC(C)(C(=O)O)C2)s1 399399496 GKBQSLVFEVLVFI-UHFFFAOYSA-N 276.339 0.547 0 50 CCAA O=C(N[C@H]1COC[C@H]1O)[C@@H]1OCCO[C@@H]1c1ccccc1 633858413 ZUJYPCIUOCJDFO-REWJHTLYSA-N 293.319 0.019 0 50 CCAA CC[C@@]1(O)CCCN(CCCS(=O)(=O)N(C)C)C1 640032648 KBGVANJYYMZLFH-GFCCVEGCSA-N 278.418 0.505 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cnccn1 643852456 CTYSMMGGBGSOCR-GFCCVEGCSA-N 265.269 0.182 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)N1CCC(F)(F)C1 644415773 BVQRCJMGAZFVQF-VIFPVBQESA-N 276.283 0.227 0 50 CCAA CN1C[C@@H](C(=O)Nc2ccc(N(C)C)cn2)CC1=O 194517579 NJJDZZBNYBBWPP-VIFPVBQESA-N 262.313 0.564 0 50 CCAA CCCCNC(=O)CN(C)c1nc(C(N)=O)cs1 1529190127 FGULXZUHENBEHU-UHFFFAOYSA-N 270.358 0.595 0 50 CCAA CO[C@H](C)c1nnc(NC(=O)CCS(C)(=O)=O)s1 1529180679 HZBMCTBOCSSNQR-ZCFIWIBFSA-N 293.370 0.619 0 50 CCAA Cc1nnsc1C(=O)N1CC[C@H](C)C[C@H]1C(N)=O 408366277 WMFFNQXTRNTTGW-XPUUQOCRSA-N 268.342 0.573 0 50 CCAA COC[C@H](C)S(=O)(=O)NC[C@@H]1CCn2ccnc2C1 328627116 MJUFTAWBVWALHL-WDEREUQCSA-N 287.385 0.400 0 50 CCAA O=C(OC[C@H]1CO1)[C@H]1CCCC[C@H]1C(=O)OC[C@@H]1CO1 147179283 XFUOBHWPTSIEOV-IWDIQUIJSA-N 284.308 0.677 0 50 CCAA in-vitro Cc1ccncc1CNC(=O)N[C@H](C)c1nnnn1C 1615615125 OSTOZCGOOYJEIS-SECBINFHSA-N 275.316 0.474 0 50 CCAA Cc1noc(C)c1C(=O)N1C[C@H](C)O[C@H](C(=O)O)C1 1616029931 BNFXZDBUIIABMD-RCOVLWMOSA-N 268.269 0.606 0 50 CCAA Cc1ccnc(NCCNC(=O)c2ccc(O)nn2)c1 19226738 ZLWWPEKVJFTJTH-UHFFFAOYSA-N 273.296 0.728 0 50 CCAA c1cnc2c(-c3nccn3CCN3CCOCC3)cnn2c1 1857688973 AASIAOMCVBZZQI-UHFFFAOYSA-N 298.350 0.925 0 50 CCAA CCNc1nccnc1N1CCO[C@@H](COC)C1 408518763 YIBFZIRWRLRJMR-SNVBAGLBSA-N 252.318 0.760 0 50 CCAA CO[C@@H](C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 408423148 OAEFWCMFGURBEB-VIFPVBQESA-N 290.385 0.094 0 50 CCAA O=C(NCc1ccc2c(c1)OCCCO2)[C@@H]1C[C@@H](O)CN1 238012854 AQSLQWHPVSGBDC-NEPJUHHUSA-N 292.335 0.187 0 50 CCAA CCOCC(=O)N1[C@H](C)CC[C@@H]2O[C@H](C(=O)OC)C[C@H]21 252481310 CISJZQJWEPXTCU-WYUUTHIRSA-N 285.340 0.733 0 50 CCAA Cc1cnc(-c2noc([C@H]3CN(C)C(=O)CN3)n2)s1 904733342 VEAGOPSODHJSTB-SSDOTTSWSA-N 279.325 0.604 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)NCCc1cccnc1 818710711 HHHQNAKBYZZKQY-ZDUSSCGKSA-N 291.351 0.114 0 50 CCAA CC[C@@]12C[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1772815954 DZXWXPQYWOBFDB-YGRLFVJLSA-N 277.324 0.516 0 50 CCAA CCc1nc(C)c(C(=O)N2CCOC[C@H](O)C2)o1 77470203 VKGLQAJHUHLTJZ-SECBINFHSA-N 254.286 0.379 0 50 CCAA Cc1ncn(C)c1C(=O)N1CCC[C@]2(CCNC2)C1 534670169 XZQFPEVESXIEKT-CQSZACIVSA-N 262.357 0.944 0 50 CCAA O=C(NS(=O)(=O)c1ccccc1)[C@]12CC[C@H]1CNC2 1615569658 HQKQDEQXJPRZSW-GWCFXTLKSA-N 280.349 0.491 0 50 CCAA CC(=O)N(CC(=O)NC[C@@H]1CCC(=O)O1)c1ccccc1 2325762177 NACAIJJMGVKTOK-ZDUSSCGKSA-N 290.319 0.861 0 50 CCAA COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 248654913 VOHNDIOFIOFVDG-GMTAPVOTSA-N 294.282 0.277 0 50 CCAA Cn1c(=O)c2c(nc(Oc3ccccc3)n2C)n(C)c1=O 93738 NSTBRYLMPPVUSD-UHFFFAOYSA-N 286.291 0.763 0 50 CCAA biogenic CN(C)N1C(=O)C[C@H](n2cnc3ccccc32)C1=O 289697 MTZUGCASNDWONO-NSHDSACASA-N 258.281 0.813 0 50 CCAA Cc1cc(C(=O)NCCCN2CCCC2=O)no1 2872778 TTZUVYWWXWPSFC-UHFFFAOYSA-N 251.286 0.725 0 50 CCAA Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 3604264 GOTYRUGSSMKFNF-SNVBAGLBSA-N 259.265 0.030 0 50 CCAA fda CC(C)N1CC[C@H](NS(=O)(=O)c2cccnc2)C1=O 114743355 AUIXIMMUKUBOSV-NSHDSACASA-N 283.353 0.369 0 50 CCAA O=C(NCc1ccc2c(c1)CNC2)NC[C@@H]1CCCN1 418353133 ABPRUEIWAOKCEQ-AWEZNQCLSA-N 274.368 0.841 0 50 CCAA Cc1cnc(CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)cn1 65461670 LWIPLWGTIDVVAI-LBPRGKRZSA-N 290.367 0.906 0 50 CCAA CN1CC[C@@H](O)[C@H](CN(CCO)Cc2cccs2)C1 20820071 FSZGZXFUXGBZNP-GXTWGEPZSA-N 284.425 0.855 0 50 CCAA NCCc1cc(N[C@@H]2CCCN(C(=O)C3CC3)C2)ncn1 67712990 CEWSCNHKLWQPGT-CYBMUJFWSA-N 289.383 0.791 0 50 CCAA COc1cccc(Cn2c(CCCO)n[nH]c2=O)c1 65395944 UEDYIGVCCIJTMG-UHFFFAOYSA-N 263.297 0.553 0 50 CCAA CN1CCC[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1=O 67688357 DGMCCWDURDKSLP-AWEZNQCLSA-N 291.355 0.139 0 50 CCAA CCN(C)CCNS(=O)(=O)CC[C@H](C)CCOC 253429231 MKUHYOPOQUXXHT-GFCCVEGCSA-N 280.434 0.920 0 50 CCAA O=C(O)CN(CC(=O)NC[C@@H]1CCCO1)c1ccccc1 34926500 XWPPZCOBSONQEA-ZDUSSCGKSA-N 292.335 0.873 0 50 CCAA Cc1cc(C)n2nc(CC(=O)N3CCSCC3)nc2n1 77243680 VIUIPPWRAVCCSS-UHFFFAOYSA-N 291.380 0.859 0 50 CCAA Cc1noc(CN2CCN(C(=O)[C@H]3CC[C@@H](N)C3)CC2)n1 237689614 NRSYMXGGPDSQGD-NWDGAFQWSA-N 293.371 0.150 0 50 CCAA CS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@@H](O)C1CCC1 332482390 VKBHJNNGAOHIOT-RYUDHWBXSA-N 289.397 0.573 0 50 CCAA CCCN1C[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)CC1=O 33359502 ZDTOTOCWWCIQDP-NSHDSACASA-N 289.335 0.983 0 50 CCAA O=C(NC[C@@H]1CCNCC1(F)F)c1cn2c(n1)CCC2 335662847 NGXVUTZTEWENCS-VIFPVBQESA-N 284.310 0.804 0 50 CCAA O=C(Cc1ccc(O)c(Cl)c1)N1CC[C@H](CO)[C@H](O)C1 72163177 SLSHIFYPPIBRGH-ZWNOBZJWSA-N 299.754 0.790 0 50 CCAA O=S(=O)(O)Cc1ccccc1CS(=O)(=O)O 34080186 OPTBGJNIZFEJGV-UHFFFAOYSA-N 266.296 0.462 0 50 CCAA Cc1nccn1[C@H](C)C(=O)NCCc1nccn1C 426359560 LWGOUIPVHQDIPX-SNVBAGLBSA-N 261.329 0.845 0 50 CCAA O=C1C[C@]2(CCN(c3ncnc4ccsc34)C2)C(=O)N1 82106617 UAQCGSAFFXXAGB-ZDUSSCGKSA-N 288.332 0.934 0 50 CCAA Cc1[nH]nc(CCC(=O)N2CCO[C@@H](C(=O)O)C2)c1C 426380333 FSACOKHMSZFWAZ-LLVKDONJSA-N 281.312 0.271 0 50 CCAA O=C(O)CNC(=O)CCCN1Cc2ccccc2C1 426406081 JSRVAGPAXCISHN-UHFFFAOYSA-N 262.309 0.983 0 50 CCAA Cc1nc2ccccn2c1CC(=O)NCCc1nncn1C 426739077 PIUHEFYRBBCUEM-UHFFFAOYSA-N 298.350 0.673 0 50 CCAA CC(C)n1nccc1C(=O)NC[C@@H]1COCCN(C)C1 426388166 OBOWAVVCHAHCPS-LBPRGKRZSA-N 280.372 0.772 0 50 CCAA NC(=O)c1csc(N2CCC3(CC2)OCCC[C@H]3O)n1 91848316 HPELSBFCCYRVKF-SNVBAGLBSA-N 297.380 0.752 0 50 CCAA CCN1CCN(Cc2cnn(CCC(=O)O)c2)[C@@H](C)C1=O 97179485 BDQSSRIOQABJHZ-NSHDSACASA-N 294.355 0.410 0 50 CCAA CCN1CCN(Cc2cnn(CCC(=O)O)c2)CC1=O 97117398 CSTQQNNZYANXNP-UHFFFAOYSA-N 280.328 0.022 0 50 CCAA CSCCc1nc(-c2ccc(CO)o2)n(CCO)n1 96153351 KBYBBIQUTKAWPF-UHFFFAOYSA-N 283.353 0.928 0 50 CCAA COCC(C)(C)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 345463144 RKSMULDZCZIHRQ-SNVBAGLBSA-N 271.361 0.661 0 50 CCAA CC(C)(C)N1C[C@H](Nc2ccc3nncn3n2)CC1=O 297417150 GXQYJYQVGJYYSF-SECBINFHSA-N 274.328 0.936 0 50 CCAA CN(C)c1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)nc1 299308057 QYSPNBMQIYZSCY-JTQLQIEISA-N 297.380 0.911 0 50 CCAA COCCN1CC[C@H](C(=O)NCC2(CO)CCCC2)C1 534589124 HQIVPNPRUCLCBW-ZDUSSCGKSA-N 284.400 0.624 0 50 CCAA COc1ccccc1CS(=O)(=O)CCc1cn(C)nn1 629315578 GMCBPHLDIKNQLU-UHFFFAOYSA-N 295.364 0.981 0 50 CCAA O=C(CCn1cnnn1)NC[C@@H]1COc2ccccc2O1 299781044 KVZLDIRBKKXLPG-SNVBAGLBSA-N 289.295 0.019 0 50 CCAA CCCc1noc([C@@H](C)NC(=O)c2c[nH]c(=O)[nH]2)n1 299760020 TWUVYLVTGWFWRS-ZCFIWIBFSA-N 265.273 0.530 0 50 CCAA CCOC[C@H](O)CNC(=O)c1c(C)[nH]c(C(C)=O)c1C 823315641 NKTUAWIHRLHVJP-LLVKDONJSA-N 282.340 0.961 0 50 CCAA CC[C@@H](NC(=O)N1CCNC(=O)C1)c1cc(C)ccn1 584891335 HPCFPEJSWJHRSR-LLVKDONJSA-N 276.340 0.983 0 50 CCAA CCCc1nc(N2CCO[C@H](C(=O)N(C)C)C2)no1 670444303 BKPYVNQUVGKKKF-VIFPVBQESA-N 268.317 0.316 0 50 CCAA COCC1(CNC(=O)CNC(=O)N(C)C)CCC1 670435272 JNKVTHWSFOMEMF-UHFFFAOYSA-N 257.334 0.191 0 50 CCAA C=CC(=O)NCC(=O)NCC1C[C@@H]2CC[C@H](C1)N2C 1875376294 RIZRANSIOBHKHI-YOGCLGLASA-N 265.357 0.278 0 50 CCAA O=C(N1CCCCCC1)N1CC(n2cc(CO)nn2)C1 1875282769 RTIZCMKPPRQAKA-UHFFFAOYSA-N 279.344 0.623 0 50 CCAA O=C(c1cnc2ccccn2c1=O)N1[C@H]2CC[C@@H]1C[C@H](O)C2 952966417 IVWLMGXHTGAHHC-GDNZZTSVSA-N 299.330 0.822 0 50 CCAA Cc1noc(C[C@]2(O)CCCN(Cc3cnc[nH]3)C2)n1 886096872 MHINYTHMCXXVHL-CYBMUJFWSA-N 277.328 0.671 0 50 CCAA CCn1nncc1CN1C[C@H](OC)C[C@@H]1c1ncc[nH]1 888079155 FVBFKEOILKGBCT-VXGBXAGGSA-N 276.344 0.983 0 50 CCAA CCNC(=O)CNC(=O)[C@H]1CC(=O)c2ccccc2O1 1775989092 CPDCMZNRGVVALV-GFCCVEGCSA-N 276.292 0.273 0 50 CCAA CC[C@@H]1CN([C@H](CC)C(=O)O)CCN1CCOC 248951585 KNSNWWIOPMDLID-VXGBXAGGSA-N 258.362 0.892 0 50 CCAA CC1(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CCCC1 583028557 QQJGEYBLIGJZRG-UHFFFAOYSA-N 277.324 0.852 0 50 CCAA COC[C@@H]1[C@H](NC(=O)c2c(C)nn(C)c2C)[C@H]2CCO[C@@H]12 1074623953 GGIZLQNBYOFUTK-HBJVGIJOSA-N 293.367 0.817 0 50 CCAA CCOc1ccc(C(=O)N2CCO[C@H](C(=O)O)C2)cn1 583650614 QQWJFJPWMKKADD-JTQLQIEISA-N 280.280 0.406 0 50 CCAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@]1(F)CCNC1 408519324 ZBZCJEJQJPZFSU-SWLSCSKDSA-N 291.326 0.127 0 50 CCAA CN(C)c1nc(N(C)CCCN2CCOCC2)ncc1F 1506396334 CSRYHYBTDOIHFE-UHFFFAOYSA-N 297.378 0.840 0 50 CCAA CN1CC[C@@](C)(CN(C)C(=O)C2CCN(CCO)CC2)C1 1529146923 RMALPFOMLLUQOM-MRXNPFEDSA-N 297.443 0.491 0 50 CCAA CCN(CCO)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529171900 FTLQRYBJMKLDLA-KGLIPLIRSA-N 292.335 0.084 0 50 CCAA CN(C[C@@H](O)CN1CCOCC1)c1ccc(F)cn1 252507613 WPOYDMDQNWXQQI-GFCCVEGCSA-N 269.320 0.350 0 50 CCAA N[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccccc3)C[C@H]12 688558798 AJIDGOHWFMMKPN-UPJWGTAASA-N 266.366 0.243 0 50 CCAA Cc1cc(COCC(=O)N[C@@H]2C[C@@H](N)C23CCC3)no1 1615555763 XSMAPIXZEIFTCV-VXGBXAGGSA-N 279.340 0.886 0 50 CCAA COc1cccc(Cl)c1C(=O)NCCS(N)(=O)=O 1615589079 JQTZAMUOURNMPT-UHFFFAOYSA-N 292.744 0.367 0 50 CCAA COc1ccc(/C=C(/CC(=O)NCCO)C(=O)O)cc1 5675662 HKNJXRUNWSWQFC-FLIBITNWSA-N 279.292 0.662 0 50 CCAA Cc1nn(C)c2c1[C@@H](NC(=O)c1n[nH]c(O)n1)CCC2 1857680454 NYFYHPCWJQPPFD-ZETCQYMHSA-N 276.300 0.360 0 50 CCAA CCn1ncnc1[C@@H](C)NC(=O)c1nsnc1C 1857689431 PSDACAPAWHJWKJ-SSDOTTSWSA-N 266.330 0.949 0 50 CCAA Cc1cnc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)nc1 625626410 DJDNGZFUUWAWCG-CHWSQXEVSA-N 289.339 0.143 0 50 CCAA Cc1cncc(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)c1 636216688 CNNIKCYRWBGZTP-CYBMUJFWSA-N 287.323 0.523 0 50 CCAA COC[C@H](O)CN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 128437259 ARFIJRVYEGRWSS-MRVWCRGKSA-N 282.384 0.469 0 50 CCAA CC(C)c1cc(NC(=O)N2CCO[C@H](C(N)=O)C2)no1 266386650 LYQYICBTGVYSKO-VIFPVBQESA-N 282.300 0.516 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1C[C@H](O)CC[C@H]1C 399238798 HXKYOYZXYUJEQA-LDYMZIIASA-N 251.330 0.941 0 50 CCAA Cc1ncc(C(=O)Nc2nnnn2C)c(C(C)C)n1 904198983 MAHHPKGLRNGAAM-UHFFFAOYSA-N 261.289 0.684 0 50 CCAA CCc1cnc(N2C[C@H]3COC[C@@H](C2)CN3C)nc1 1704304642 NCRZMQGSMKUIHL-OLZOCXBDSA-N 262.357 0.806 0 50 CCAA C=CC(=O)NCCC(=O)NCc1nc2c(s1)CCC2 927656321 LTNIADLEBZIQIJ-UHFFFAOYSA-N 279.365 0.940 0 50 CCAA O=C(CCn1cncn1)N1CC[C@@]2(O)CCCC[C@H]2C1 127930305 UFGHWSOSJFLCNT-JSGCOSHPSA-N 278.356 0.822 0 50 CCAA C[C@H](CNC(=O)c1ccc2nccnc2c1)S(N)(=O)=O 355341049 LRQAHXAABYTJKC-MRVPVSSYSA-N 294.336 0.037 0 50 CCAA COCCNC(=O)NCCOc1cccc(C(=O)O)c1 670437085 HPCJBVYETVQPJJ-UHFFFAOYSA-N 282.296 0.709 0 50 CCAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)Cn2cccn2)C1 379254197 DLVMHFNKFOXGLF-RKDXNWHRSA-N 276.262 0.764 0 50 CCAA COc1cccc(NC(=O)C(=O)N2CCOCC2)c1 2856503 LXYAURUDWRMULI-UHFFFAOYSA-N 264.281 0.493 0 50 CCAA Cc1noc(C2(NC(=O)[C@H]3C[C@@H](C)OC3=O)CC2)n1 2325804405 LAOPSLDHFBRPCN-HTRCEHHLSA-N 265.269 0.435 0 50 CCAA CCOC(=O)C1=C(C)NC(=O)[C@@H](C(N)=O)C12CCCC2 612536 KAENIIMPQYWELD-SNVBAGLBSA-N 280.324 0.615 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O)cc1 1705186 YOAFXXUEQDFMOT-UHFFFAOYSA-N 272.282 0.008 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)N1C[C@H](O)C[C@@H](O)C1 2356144655 HMSLIBFSTJOJKM-CHWSQXEVSA-N 295.383 0.669 0 50 CCAA CCOc1ccc(CC(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)cc1 2356148151 JTLUHNMESLGTNZ-GXTWGEPZSA-N 288.347 0.832 0 50 CCAA CCC[C@@]1(C(=O)O)CN(C(=O)c2nccn2C)CC[C@@H]1O 2356155341 CSSNCIKVRYMCCJ-IINYFYTJSA-N 295.339 0.498 0 50 CCAA NC(=O)CSc1nnc(-c2ccccc2)n1CCO 10312541 XXHTZPBUPCHCAL-UHFFFAOYSA-N 278.337 0.515 0 50 CCAA Cc1ccc(C(=O)NCCCc2cnn(C)c2)c(=O)[nH]1 102621072 NNWIMWLPWOOZIA-UHFFFAOYSA-N 274.324 0.779 0 50 CCAA Cn1nccc1C(=O)NC[C@H]1CN(C2CC2)CCO1 114857394 IFLPDRRZRYVKSU-NSHDSACASA-N 264.329 0.013 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@@H](n2cc(COC)nn2)CN1 67713433 XJOPUVFQFKOECZ-NEPJUHHUSA-N 281.360 0.196 0 50 CCAA O=c1[nH]c2cc3c(cc2cc1CN1CC[C@H](O)C1)OCO3 67726897 ZKNWBSNRAKJROY-NSHDSACASA-N 288.303 0.823 0 50 CCAA Cc1nc([C@H](C)Nc2cc(C3CC(N)C3)nc(N)n2)n[nH]1 218813408 ZHGIGOMBJIRJDF-GVWIPJJGSA-N 288.359 0.863 0 50 CCAA Cn1cc(NC(=O)[C@H]2C[C@H]3CCCCN3C2)cc1C(N)=O 364090505 NTKVKKSGUPEKJB-CMPLNLGQSA-N 290.367 0.937 0 50 CCAA CN(C)C/C=C/C(=O)N[C@@H]1CCN(c2ccn(C)n2)C1 364634461 KEKOQZRJAYPCDD-ZYOFXKKJSA-N 277.372 0.233 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2nc3ccccc3[nH]2)C1 284427179 DISDOOSWHUSKCI-KWQFWETISA-N 260.297 0.642 0 50 CCAA O=C(O)[C@H]1CN(C(=O)[C@@H]2COCCO2)c2ccccc21 132005242 ASTPMQHGOSYHTI-JQWIXIFHSA-N 277.276 0.617 0 50 CCAA CN(C)CCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 39917975 JOIQBAFHBFHQSQ-JTQLQIEISA-N 255.362 0.311 0 50 CCAA Cc1nccn1CCCC(=O)N1CCN[C@H](C)C1 237409586 NMLCGEXTTIRFLD-LLVKDONJSA-N 250.346 0.792 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)CCc3ccncn3)[C@@H]2C1 285991948 YMAXXDMBXUEYDK-KGLIPLIRSA-N 290.367 0.341 0 50 CCAA Cn1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)n1 340076676 OTVCCGSRORVYIK-UHFFFAOYSA-N 281.293 0.919 0 50 CCAA NC(=O)[C@H]1CCCC[C@H]1NC(=O)CN1CCCCCC1=O 177774932 BYDUFYZWJSVOFA-NWDGAFQWSA-N 295.383 0.549 0 50 CCAA CC(C)COC[C@H](O)CN1C(=O)[C@@H](C)[C@H](C)C1=O 246123826 LSONCIUIYDTBGL-GARJFASQSA-N 257.330 0.661 0 50 CCAA COc1c(C)cc(S(=O)(=O)NCCO)c(C)c1C 41105582 WYFVRAHOFIPHEY-UHFFFAOYSA-N 273.354 0.891 0 50 CCAA CC[C@H](NC(=O)CCn1nnnc1C)c1nc(C)no1 223395456 HMULKRWEBZSIRE-VIFPVBQESA-N 279.304 0.331 0 50 CCAA CCN1CCN(C(=O)[C@@H](C)NC(=O)C(F)(F)F)CC1 40451275 NGTYTXIHPMTNHS-MRVPVSSYSA-N 281.278 0.218 0 50 CCAA Cc1ccc(C(=O)N[C@@H]2CCNC2=O)c(OCCCN)c1 426388186 RSDRCWHGFFVXHK-GFCCVEGCSA-N 291.351 0.341 0 50 CCAA CC[C@@H](NC(=O)c1cccc(=O)[nH]1)c1ncnn1CC 223201986 NSEYKOBUXJAPML-SECBINFHSA-N 275.312 0.867 0 50 CCAA Nn1ccc2nc3nc(-c4ccccc4)cn3nc2c1=O 334160971 PVHLEQVEZMGWDB-UHFFFAOYSA-N 278.275 0.820 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CCc3n[nH]c(C)c3C2)[nH]1 426547553 FGTJEZZTMMOFMV-UHFFFAOYSA-N 272.308 0.913 0 50 CCAA COc1cccc(O)c1C(=O)N[C@@H]1C[C@@H](CO)N(C)C1 244866514 VXMNNMUWWFLQGX-ZJUUUORDSA-N 280.324 0.196 0 50 CCAA CCn1c(CN2CCN(C)CC2)nnc1[C@H]1C[C@@H](N)C1 243901853 BEWLAGOXUZFUMG-TXEJJXNPSA-N 278.404 0.250 0 50 CCAA NC(=O)[C@@H]1CN(CCn2ccnc2)C[C@H]1C(F)(F)F 299741120 CWGZYVWQWIRSCX-RKDXNWHRSA-N 276.262 0.479 0 50 CCAA Cc1n[nH]c(C)c1CNC(=O)C[C@@H]1CN(C)CCN1C 299788015 QUKSGTZWZQQSKF-GFCCVEGCSA-N 279.388 0.279 0 50 CCAA c1ccc2c(c1)ncn2CCN1CCN(c2nc[nH]n2)CC1 299768923 RFTANPPRRRAORG-UHFFFAOYSA-N 297.366 0.977 0 50 CCAA CO[C@H]1CCN(C(=O)CCN2CCCCC2=O)C1 584896812 UHBHWIFXXWKLLJ-NSHDSACASA-N 254.330 0.636 0 50 CCAA Cc1n[nH]cc1CN(C)C(=O)CN(C)C1CCNCC1 823666868 JXQUIBSEGOPBHB-UHFFFAOYSA-N 279.388 0.360 0 50 CCAA CCCc1ncncc1C(=O)NC1CCS(=O)(=O)CC1 670435532 AQIUZUNFURQPTE-UHFFFAOYSA-N 297.380 0.736 0 50 CCAA OC[C@@H]1CN(c2[nH]cnc3nc(Cl)cc2-3)CC[C@@H]1O 865879492 HKATVJWNYLHSIF-CBAPKCEASA-N 282.731 0.742 0 50 CCAA CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccoc2C)C1 685940730 GXCRAZREMCQEDY-ONGXEEELSA-N 294.307 0.639 0 50 CCAA C[C@@H](CCC(=O)O)N(C)C(=O)[C@@H]1CCCS1(=O)=O 1875306918 PUUAQPGWTAKEKZ-IUCAKERBSA-N 277.342 0.275 0 50 CCAA C[C@H](O)[C@H](NC(=O)C1=C2CCN=C2NC=C1)C(F)(F)F 1875319882 WXWYWRWCRYZNRF-RCOVLWMOSA-N 289.257 0.630 0 50 CCAA N=c1nncc(-c2cccc(C(=O)N3CCCCN3)c2)[nH]1 1875304435 KIRJMTZFLNGAQA-UHFFFAOYSA-N 284.323 0.692 0 50 CCAA CC[C@H](O)CN1CCN(C(=O)[C@@]2(C)CCCNC2)CC1 888096420 UTLSGZHYRWTZIA-ZFWWWQNUSA-N 283.416 0.291 0 50 CCAA CCN(C(=O)CCc1cccc(O)c1)[C@@H]1COC[C@H]1O 1775999680 URUYGGVFNRPUNO-ZIAGYGMSSA-N 279.336 0.933 0 50 CCAA C[C@]1(O)CCN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1O 1565528585 RYILLSNISITRRT-RISCZKNCSA-N 277.324 0.312 0 50 CCAA Cn1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2CN)nc1Cl 170684822 KKHORIGWHQUWRL-SFYZADRCSA-N 292.792 0.479 0 50 CCAA COC[C@@]1(C)NC(=O)N(Cc2cncc(F)c2)C1=O 280952283 JVJIWEHYIIUINW-GFCCVEGCSA-N 267.260 0.678 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cccnc1C 643763030 QQTUKOJZPJGTEM-CQSZACIVSA-N 263.341 0.856 0 50 CCAA Cc1nnc2n1C[C@H](C(=O)N1CCCCCO1)N(C)C2 644440947 KWRHCDCCJNAINQ-LLVKDONJSA-N 279.344 0.345 0 50 CCAA CCc1nc(CN2CC[C@@H](CC(=O)NC)C2)no1 1506412485 ZAXZFVAMYVDNDP-VIFPVBQESA-N 252.318 0.590 0 50 CCAA Cc1cc(O)nc(CN2C[C@H]3CN(C)C[C@@]3(C)C2)n1 933734638 APRGBMASINFWDA-RISCZKNCSA-N 262.357 0.874 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)C3CCOCC3)C[C@@H]2O)n[nH]1 1529190449 JGPGAANYDYLZES-OCCSQVGLSA-N 293.367 0.507 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)N[C@H](CN)C1CCCC1 420430498 CWHZLJQEYHJZNZ-LLVKDONJSA-N 286.401 0.524 0 50 CCAA CCn1nccc1S(=O)(=O)Nc1cnn(C)c1C(=O)O 545315145 UOSPKSUWWAYYIJ-UHFFFAOYSA-N 299.312 0.136 0 50 CCAA CN(C(=O)Cc1nnc(N)s1)[C@H]1CCSC1 1263770906 RUTZXVUXCSFCGS-LURJTMIESA-N 258.372 0.627 0 50 CCAA CN(Cc1ccc(S(C)(=O)=O)cc1)C[C@H]1COCCO1 216061296 HAVHDMHCUAAIDS-ZDUSSCGKSA-N 299.392 0.937 0 50 CCAA Cc1ccc(CN2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1 5016116 QXLMIQHNNNGYBE-CQSZACIVSA-N 288.347 0.955 0 50 CCAA CCCNC(=O)c1cc(S(=O)(=O)NC)ccc1OC 16648001 LQRBUSBUIMCPPC-UHFFFAOYSA-N 286.353 0.743 0 50 CCAA Cn1nccc1CCNC(=O)[C@@]1(C)CC12CCNCC2 1857692733 RHPVTRCXWWCCDW-CQSZACIVSA-N 276.384 0.859 0 50 CCAA COCCCn1cnnc1Cn1cnc2cc[nH]c2c1=O 1857700290 QSLJMJOPIUXINQ-UHFFFAOYSA-N 288.311 0.401 0 50 CCAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)NCCCN1CCOCC1 2772393 LDDFOWFYSOXOAS-CHWSQXEVSA-N 298.383 0.716 0 50 CCAA CNC(=O)CN1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C 230306657 FPTJWHGGQLJVQM-GIPNMCIBSA-N 286.397 0.573 0 50 CCAA C[C@H]1Oc2c(cccc2C(=O)N2CCNC[C@H]2C)NC1=O 124352096 RGKQHNVKAGEVGA-NXEZZACHSA-N 289.335 0.840 0 50 CCAA C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)O)CC2)C1 237353048 OGSOVLMYLBBFSE-OLZOCXBDSA-N 297.399 0.384 0 50 CCAA CCn1cn[nH]c1=NCc1nn(C)cc1Br 1875283811 CIMGDXVQOSARAD-UHFFFAOYSA-N 285.149 0.828 0 50 CCAA CNC(=O)c1n[nH]c(C2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)n1 818477614 FZFHSUVQLYNGPH-WCBMZHEXSA-N 291.355 0.526 0 50 CCAA CCn1ncc(CN2C[C@@H](C)O[C@@H](c3nnc(C)o3)C2)n1 852608692 INODQIBEOCZNCE-BXKDBHETSA-N 292.343 0.951 0 50 CCAA Cc1ccc([C@H](O)CN2CC(S(N)(=O)=O)C2)cc1 930728452 CSMSIUOULXFMFU-GFCCVEGCSA-N 270.354 0.001 0 50 CCAA O=C1CC[C@@H](COC(=O)c2nc[nH]c3nccc2-3)CCN1 850006786 CFTLOQAAJUBBMH-SECBINFHSA-N 288.307 0.983 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1O)c1cccc2c1NCCC2 219302140 LIYHPSYYBULHHB-CHWSQXEVSA-N 276.336 0.924 0 50 CCAA COCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 6267617 KEGLHQHFIAJJRA-UHFFFAOYSA-N 286.353 0.824 0 50 CCAA C[C@@H]1OCCN(C(=O)C[C@@H]2CSCCN2)[C@H]1C 125330577 ZBHAOCKSHVDQJX-GARJFASQSA-N 258.387 0.717 0 50 CCAA CN1CCN(C[C@@H](O)COCc2ccccc2F)CC1 22215482 DCDCICBGUHBQHA-CQSZACIVSA-N 282.359 0.951 0 50 CCAA OCCN1CCN(CCOc2ccccc2F)CC1 33359701 ZPPCLAVLIQPTDN-UHFFFAOYSA-N 268.332 0.814 0 50 CCAA C[C@H]1CCN(C(=O)NCc2cnn(C)n2)C[C@@H]1C(=O)O 693431777 QJUMFUYCBZMGDO-WPRPVWTQSA-N 281.316 0.067 0 50 CCAA NS(=O)(=O)CCN1CCC(OC2CCC2)CC1 930742473 LQKGMBVABLKNEW-UHFFFAOYSA-N 262.375 0.308 0 50 CCAA CN(C)S(=O)(=O)N(C)Cc1ccc2nsnc2c1 952969884 QPEIWQRJYVMGIM-UHFFFAOYSA-N 286.382 0.930 0 50 CCAA O=C(O)CCC(=O)NC[C@H]1COc2ccccc2O1 117745 HCGXNPQDNIEHBJ-VIFPVBQESA-N 265.265 0.807 0 50 CCAA O=C1NS(=O)(=O)c2cc(Br)ccc21 2511568 CNDPIUXFHSMKMG-UHFFFAOYSA-N 262.084 0.881 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)O)cc1 2559373 OHZRFPJQOHWDNK-UHFFFAOYSA-N 271.294 0.893 0 50 CCAA Cn1ccc2cc(C(=O)NCC(=O)NCC(=O)O)ccc21 170625763 YOTZSSREDWJNKE-UHFFFAOYSA-N 289.291 0.109 0 50 CCAA biogenic CO[C@H]1C[C@@H](C(=O)NCCN(C)CC(F)(F)F)N(C)C1 344954819 VBOWVOBRKONOOP-UWVGGRQHSA-N 297.321 0.316 0 50 CCAA Cn1cc(Br)c(CN2C(=O)C=CC2=O)n1 307496648 JDOMMBGLIUWTAG-UHFFFAOYSA-N 270.086 0.608 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(CCCOc2cccnc2)C1 65535628 FVYBPYSTTIMVIG-SNVBAGLBSA-N 264.281 0.784 0 50 CCAA COCCN(CC1CC1)C(=O)c1cccn(C)c1=O 215959931 PUYUXKWAGUTJEY-UHFFFAOYSA-N 264.325 0.884 0 50 CCAA Cc1cccc(OCCN(C)C[C@@H](O)CO)c1C 65387187 XQDSKBCDYYTYRP-CYBMUJFWSA-N 253.342 0.967 0 50 CCAA CNC(=O)C1(C)CCN(Cc2nccn2CCOC)CC1 215052641 MEZJLURROBVLNV-UHFFFAOYSA-N 294.399 0.878 0 50 CCAA Cc1cc(-c2n[nH]c(=O)n2Cc2ccco2)n(C)n1 65464635 JNDJOOLHMSYCAO-UHFFFAOYSA-N 259.269 0.922 0 50 CCAA C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H]2[C@@H](C1)C2(F)F 253426242 YWCGZMTYPYCUCL-SZEHBUNVSA-N 287.310 0.950 0 50 CCAA Cc1n[nH]c([C@H]2CN(CCOC[C@H]3CCCO3)CCO2)n1 257366234 OQKRNQVTZXWMNO-CHWSQXEVSA-N 296.371 0.682 0 50 CCAA C[C@@H]1Cc2cccc3c(=O)c(C(=O)NCCO)cn1c23 33089064 ZUENZPBWHISXSC-SECBINFHSA-N 272.304 0.841 0 50 CCAA O=C(Cc1noc([C@@H]2CNCCO2)n1)NC1CCCCC1 261610067 ARAAOUDTSKJIRV-NSHDSACASA-N 294.355 0.722 0 50 CCAA C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1cc(F)c[nH]1 331643695 NLDULWCEJHLOLH-MRVPVSSYSA-N 274.317 0.803 0 50 CCAA NC(=O)[C@@H]1c2ccccc2CCN1CCn1ccnc1 372318022 CEGAPFCFOCYTDD-AWEZNQCLSA-N 270.336 0.968 0 50 CCAA COCc1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)O)cc1 262349856 AVORMVOEGZHLGV-VIFPVBQESA-N 287.337 0.927 0 50 CCAA CN1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1c1ccccc1 216047026 VHGFTHLYELIKFP-CQSZACIVSA-N 298.346 0.899 0 50 CCAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)CNC2CC2)C[C@@H](C)O1 237408823 XBMATRVRGHEEFX-UMVBOHGHSA-N 295.427 0.839 0 50 CCAA CCc1noc([C@@H](C)NC(=O)CCN2CCN(C)CC2)n1 219319629 JFMSTPYOTBETFN-LLVKDONJSA-N 295.387 0.447 0 50 CCAA O=S(=O)(c1ccoc1)N1CC[C@@H]2CNC[C@@H]2CC1 335221035 ORJJFSPNMBLPQT-PHIMTYICSA-N 270.354 0.900 0 50 CCAA CN(CCn1ccnc1-c1ccccn1)S(C)(=O)=O 77393468 ZCAHXSAGXKUBHB-UHFFFAOYSA-N 280.353 0.837 0 50 CCAA CN1CCN(CCn2cnc3cc(F)ccc3c2=O)CC1 43131275 GOHJXNPBWNDQFK-UHFFFAOYSA-N 290.342 0.783 0 50 CCAA CCOc1ncccc1C(=O)N1CC[C@H]2CNC[C@H]21 82114662 KALFBVOFADARES-CMPLNLGQSA-N 261.325 0.914 0 50 CCAA O=C(NCCCc1ccccc1)N[C@H]1CNCC[C@H]1O 426438837 JWCAZRJKGKGITM-UONOGXRCSA-N 277.368 0.641 0 50 CCAA Cc1ncsc1CCCNC(=O)[C@@H]1CC(=O)N(C)C1 426494042 LYFCCNPRWUDDJN-SNVBAGLBSA-N 281.381 0.979 0 50 CCAA CN1CCCN(Cc2cccnn2)CC12CCNCC2 426497338 YNXQZQQASIIPHD-UHFFFAOYSA-N 275.400 0.736 0 50 CCAA CN(C)[C@H]1CN(Cc2cccc(OCCO)c2)C[C@@H]1O 97696381 FKQHFVRLJKUPCV-GJZGRUSLSA-N 280.368 0.164 0 50 CCAA Cc1ccc2[nH]c(CNC[C@H](O)CO)cc(=O)c2c1 91518921 ANSRYIMDCDSBJP-NSHDSACASA-N 262.309 0.279 0 50 CCAA Cc1cccn2c(=O)cc(CN3C(=O)CCNC3=O)nc12 95509071 MIMCBZXWKMANQY-UHFFFAOYSA-N 286.291 0.445 0 50 CCAA CN(Cc1cnn(CCC(=O)O)c1)C[C@H]1COCCO1 97635115 KZSPLTUCYOCDCP-LBPRGKRZSA-N 283.328 0.205 0 50 CCAA Cc1ncc(CN2C[C@@H]3CCC[C@H](C2)C(=O)N3)n1C 97681701 RJKKRFZQBXBENW-NEPJUHHUSA-N 262.357 0.829 0 50 CCAA O=S1(=O)CCN(Cc2nccn2C2CC2)CC1 244692024 JNCVFQREUNDURV-UHFFFAOYSA-N 255.343 0.448 0 50 CCAA C[C@H](CN1CCc2[nH]nc(C(=O)O)c2C1)N1CCOCC1 244719133 LXRZCEWGNHPRKP-SNVBAGLBSA-N 294.355 0.187 0 50 CCAA O=C(NCc1ccc2c(c1)CCO2)[C@@H]1NCCc2nc[nH]c21 534674544 CMIWEIVHGHZHRX-OAHLLOKOSA-N 298.346 0.848 0 50 CCAA CCCn1cc(CNC(=O)N2CCC(C(N)=O)CC2)cn1 534643988 FKWCMVWIPNGNSB-UHFFFAOYSA-N 293.371 0.700 0 50 CCAA COCCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccccc1 299790787 BXBBPFSNGXGBQM-KGLIPLIRSA-N 277.368 0.351 0 50 CCAA CCCOC[C@H]1CCN(C(=O)Cn2cccnc2=O)C1 584897473 WERYVMCQMSWSIV-LBPRGKRZSA-N 279.340 0.518 0 50 CCAA CC(C)(C)OC(=O)NC[C@@H]1CO[C@@H](C(=O)O)CO1 1875354834 QIEOAIUONKDNAA-HTQZYQBOSA-N 261.274 0.380 0 50 CCAA CC(=O)Nc1nc(Cn2c(C)noc2=O)cs1 1875391349 PJTYLUWJRQWXMZ-UHFFFAOYSA-N 254.271 0.608 0 50 CCAA O=C(N[C@@H]1CCOC[C@@H]1N1CCCC1)O[C@H]1CCOC1 952877541 QXMHHQQHZNEMHI-XQQFMLRXSA-N 284.356 0.755 0 50 CCAA O=C(NCCC(=O)N1CCCSC1)c1ncccc1O 1875274491 CUSARMWISRRZQK-UHFFFAOYSA-N 295.364 0.830 0 50 CCAA O=C(OCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 1875255220 AQFWCVCJPGBOEH-UHFFFAOYSA-N 290.323 0.078 0 50 CCAA NS(=O)(=O)c1n[nH]cc1C(=O)OC1CCCC1 888093463 TYORNSCVSNTQPF-UHFFFAOYSA-N 259.287 0.157 0 50 CCAA Cn1cnnc1C[C@]1(O)CCCN(CCOC2CCC2)C1 888077705 QFYDFSJJRHHUNW-OAHLLOKOSA-N 294.399 0.754 0 50 CCAA O=C(NCc1cnn[nH]1)[C@@H]1NCCOc2ccccc21 1775473350 QZNXMYKGZDJPNI-GFCCVEGCSA-N 273.296 0.144 0 50 CCAA C[C@H]1CN(Cc2cn(-c3cnn(C)c3)nn2)C[C@@H](C)O1 899718014 GFZQKUZWBKHALI-PHIMTYICSA-N 276.344 0.610 0 50 CCAA O=C1C=C(COC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CO1 1344365761 QZDPLXWWFQFTRE-ULHKAFAUSA-N 250.250 0.436 0 50 CCAA COc1cccc(NS(=O)(=O)N2CCOCC2)c1O 408143292 UICNXMUOFIJLFW-UHFFFAOYSA-N 288.325 0.390 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)CC1(O)CCC1 408519691 RPZDHCCNEXRKTJ-LLVKDONJSA-N 268.357 0.665 0 50 CCAA CO[C@H](C(=O)N1CC(OCc2nnc(C)o2)C1)C1CC1 644216468 XPUGVYYFRBDGKN-LBPRGKRZSA-N 281.312 0.530 0 50 CCAA CNC(=O)[C@@H]1CN(c2ncnc3sccc23)CCO1 273263940 WFEBXOKZLVGZBO-VIFPVBQESA-N 278.337 0.643 0 50 CCAA NC(=O)c1ccccc1NS(=O)(=O)C[C@@H]1CCCO1 171805356 UBQOMNLHPIGDME-VIFPVBQESA-N 284.337 0.706 0 50 CCAA C[C@@]1(C(=O)O)CCCN1C(=O)c1nc[nH]c2nccc1-2 659151412 AEXWBYVZIISSGZ-ZDUSSCGKSA-N 274.280 0.989 0 50 CCAA CC(C)(C)OC(=O)C(=O)NCc1cc(O)nc(S)n1 585138440 QICZFTRNWVXOGO-UHFFFAOYSA-N 285.325 0.429 0 50 CCAA O=C(/C=C/c1cc(CO)cs1)N1C[C@@H](O)CO1 1506410432 KVUVGYCEUARLFI-GPYPMJJRSA-N 255.295 0.388 0 50 CCAA Cc1cc(C)n(CCN(C)C[C@H](O)C2CCNCC2)n1 1857674156 UQCXDHSDNUCZNL-HNNXBMFYSA-N 280.416 0.792 0 50 CCAA CO[C@]1(C)C[C@H](NC(=O)[C@@H]2CSCN2)C1(C)C 121680993 OWVILKJLRWTDEO-HOTUBEGUSA-N 258.387 0.969 0 50 CCAA CN1CCC[C@]2(C(=O)O)CCN(c3cc(N)ncn3)C[C@@H]12 1704339621 NQFNYJUHPUIGAP-YGRLFVJLSA-N 291.355 0.434 0 50 CCAA CCc1[nH]nc(C(=O)N(CCO)Cc2ncc[nH]2)c1C 1704337472 SKCOJYUDPQWVGG-UHFFFAOYSA-N 277.328 0.638 0 50 CCAA COc1nccnc1N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704308834 LQYNOXCYFKYUDL-IUODEOHRSA-N 292.383 0.768 0 50 CCAA Cc1cc(C(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)no1 1772805017 GHMNOTJXXNKMRA-ZJUUUORDSA-N 263.297 0.533 0 50 CCAA CC(C)N1C[C@@H](CN2CC(N3CCOCC3)C2)CCC1=O 1775983288 JPFXWWMOAHDILD-CQSZACIVSA-N 295.427 0.650 0 50 CCAA O=C(Cc1c(O)ncnc1O)NC1CC(Cl)(Cl)C1 1646596748 NMPWIRGSYQVJLE-UHFFFAOYSA-N 292.122 0.883 0 50 CCAA Cc1ccc(NS(=O)(=O)c2cnc(O)[nH]c2=O)cc1C 4270314 QUADPHIEPIMIFG-UHFFFAOYSA-N 295.320 0.893 0 50 CCAA COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)O)c1 1690616 HTXMGVTWXZBZNC-UHFFFAOYSA-N 274.250 0.507 0 50 CCAA in-vitro CCNC(=O)CNC(=O)[C@](C)(O)CCc1ccccc1 240555798 GXHKXAHTYOPSLW-OAHLLOKOSA-N 278.352 0.623 0 50 CCAA C[C@H](C(=O)N[C@@H](Cc1ccncc1)C(=O)O)n1cncn1 655597160 NZGLYIDRHJDYQB-KOLCDFICSA-N 289.295 0.046 0 50 CCAA COC[C@@H](O)CN1CCN(c2ccc(C)cc2)C(=O)C1 253417499 WVNOSZGVWRSFIJ-AWEZNQCLSA-N 278.352 0.651 0 50 CCAA COC[C@@](C)(O)C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 910474213 XJWMVARCCRPKON-YWPYICTPSA-N 293.319 0.813 0 50 CCAA Cn1nnnc1N1CCn2nc(C(F)(F)F)cc2C1 929060469 ZFWVPPLVKJMFIV-UHFFFAOYSA-N 273.222 0.446 0 50 CCAA CNc1ccccc1C(=O)NC[C@@]1(O)CCO[C@H]1C 227184171 INIHRLIKWDMGAV-HZMBPMFUSA-N 264.325 0.998 0 50 CCAA C[C@@H](O)C[C@@H]1COCCN1C(=O)c1cscn1 152437136 ZOCCSKIADLPRBU-RKDXNWHRSA-N 256.327 0.755 0 50 CCAA CCCc1nnc(N2CC[C@@](O)(CN(C)C)C2)o1 95358912 QATGZFWOIHAKSL-GFCCVEGCSA-N 254.334 0.525 0 50 CCAA CC(C)[C@@H](CNC(=O)NCCC(=O)O)N1CCCC1 817853547 WEZDMFHWZDHDIQ-LLVKDONJSA-N 271.361 0.881 0 50 CCAA COc1c(C)[nH]ccc1=NC(=O)c1nc(OC)n(C)n1 2100534329 CXXZJDAUVGBWET-UHFFFAOYSA-N 277.284 0.210 0 50 CCAA O=C(O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O 56710 FEFFSKLJNYRHQN-VIFPVBQESA-N 277.232 0.601 0 50 CCAA aggregator,in-vitro O=C(CNC(=O)c1cccs1)NC1=NCCS1 187638 ULUOTJWNVNZYAA-UHFFFAOYSA-N 269.351 0.697 0 50 CCAA COC(=O)[C@@]12COC[C@@H]1CN(c1nc(C)ns1)C2 2356158371 ZGLJJOHKOJYCCP-KWQFWETISA-N 269.326 0.472 0 50 CCAA COCCNC(=O)[C@H]1CC(c2cccc(OC)c2)=NO1 4101136 XLXQQDSPAOLFIO-CYBMUJFWSA-N 278.308 0.951 0 50 CCAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)CN1CCOCC1 119046111 UHZVMVMWLVZTDP-TZMCWYRMSA-N 270.373 0.496 0 50 CCAA COC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100879874 UTXURUDFYYMZLC-XKNYDFJKSA-N 264.281 0.150 0 50 CCAA COCCN1CCC(c2nc3c([nH]2)CCCNC3=O)CC1 65468460 URAYFWMTBIOOAS-UHFFFAOYSA-N 292.383 0.912 0 50 CCAA Cn1nc(C(=O)NCc2nccc(N)n2)cc1Cl 857479225 UVCOBOORUUMDIO-UHFFFAOYSA-N 266.692 0.376 0 50 CCAA COC(=O)[C@@H](c1cccnc1)N1CCc2nn[nH]c2C1 351614397 GWNBNIWGPKWQLF-GFCCVEGCSA-N 273.296 0.472 0 50 CCAA CC[C@H]1C(=O)N(C)CCN1S(=O)(=O)N1CCCCC1 1506396878 HKTJVGDPDCXPBY-NSHDSACASA-N 289.401 0.270 0 50 CCAA COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1 91135 XTCIPBHRVYICGT-ZETCQYMHSA-N 259.283 0.447 0 50 CCAA in-vitro Cc1cc2c(N3C[C@@H](C)[C@H](C(N)=O)C3)nccn2n1 284620611 MKBYWHGFCQMIGO-PSASIEDQSA-N 259.313 0.595 0 50 CCAA C[C@@H](O)C(=O)N1CCN(c2ncnc3c2CCCC3)CC1 362117981 KZTQNRNXEOXUIR-LLVKDONJSA-N 290.367 0.385 0 50 CCAA C[C@H](C(=O)N1CC(=O)NCC1(C)C)c1ccnn1C 333776786 SQZBDFVENVSRCC-VIFPVBQESA-N 264.329 0.261 0 50 CCAA O=C1C[C@H](CNS(=O)(=O)c2cccnc2)CN1C1CC1 180644529 REZCMUKNCKOOBV-SNVBAGLBSA-N 295.364 0.371 0 50 CCAA O=C(CCn1cnc2ccccc21)N[C@@H]1CCOC[C@H]1O 219813932 ZCVRTNHZAHKQTH-TZMCWYRMSA-N 289.335 0.692 0 50 CCAA C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)N1CCOCC1 334925665 BIVMMAXJGMBHRP-OLZOCXBDSA-N 267.373 0.997 0 50 CCAA CCC[C@]1(CO)CCCN1CCC(=O)N1CCN(C)CC1 225772883 RJGHRMDIRBNCEQ-MRXNPFEDSA-N 297.443 0.778 0 50 CCAA COCCN1C[C@@H](Cc2cccc(F)c2C(N)=O)CC1=O 222343337 WHDOATCGCWTDTK-JTQLQIEISA-N 294.326 0.962 0 50 CCAA Cc1nc(NCCCc2nn[nH]n2)cc([C@H]2CCOC2)n1 426389913 SYGYEIYQNWEWAQ-JTQLQIEISA-N 289.343 0.847 0 50 CCAA COCCN(CC(=O)NC1CC1)Cc1ccccn1 244718878 LSQUNCITTHONDE-UHFFFAOYSA-N 263.341 0.809 0 50 CCAA Cc1cc(=O)n(CCN(C)Cc2c(C)noc2C)c(O)n1 253536689 KVJZGCMYDHUEHF-UHFFFAOYSA-N 292.339 0.994 0 50 CCAA O=C(c1cn2c(n1)COCC2)N1C[C@H](O)Cc2ccccc21 626706982 OCVZMLXHPAPTNB-GFCCVEGCSA-N 299.330 0.977 0 50 CCAA CN(C(=O)[C@]1(C(=O)O)CC=CCC1)[C@H]1C[C@@H](C(N)=O)C1 864059016 YVMHWVYHKWVJEL-RBZYPMLTSA-N 280.324 0.520 0 50 CCAA COCCN(Cc1ccncc1)C(=O)NCC(=O)N(C)C 534644227 VYMZOZHHVHYXDS-UHFFFAOYSA-N 294.355 0.328 0 50 CCAA CNC(=O)C1(NC(=O)c2nccn2C)CCCCC1 299790361 OZSJUHDHRDOLRH-UHFFFAOYSA-N 264.329 0.599 0 50 CCAA CCCc1nnsc1C(=O)N[C@@H]1CCC(=O)N(C)C1 584892843 FMPVWHWNQGBBOG-MRVPVSSYSA-N 282.369 0.841 0 50 CCAA CCCCN1CCN(C(=O)c2cncc(O)c2)CC1=O 584894028 YQQGEXUQEFKGAG-UHFFFAOYSA-N 277.324 0.872 0 50 CCAA COCCN1CCC[C@@H](CNC(=O)CSC)C1 670439276 FSNIRTNYKKMPCY-NSHDSACASA-N 260.403 0.824 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1N1C(=O)N[C@@H](C2CCC2)C1=O 1875291360 WMXXJVWJESJLMT-ARENWVFISA-N 265.313 0.374 0 50 CCAA NC(=O)[C@@H]1CCCN(C(=O)/C=C/CN2CCCC2)C1 1875338087 NKBBQQIQQYYLLI-FVOPLDGLSA-N 265.357 0.362 0 50 CCAA C[C@@H]1COB(O)c2cc(NC(=O)CC(C)(C)O)ccc21 1875370233 HDTFRUBRSOGNLK-SECBINFHSA-N 277.129 0.607 0 50 CCAA C[C@@H](c1ccccn1)N(C)S(=O)(=O)N1CCN(C)CC1 952986535 YRGOEMURRLUWOB-LBPRGKRZSA-N 298.412 0.567 0 50 CCAA Clc1cnn(CCN2CCN([C@@H]3CCNC3)CC2)c1 244882756 XYISDPJDVFUTDN-CYBMUJFWSA-N 283.807 0.516 0 50 CCAA CC1(C)CC(O)(C(=O)NCCCc2nc[nH]n2)C1 1775986918 UVKYWJPLPFZKDQ-UHFFFAOYSA-N 252.318 0.405 0 50 CCAA CCN(CC(=O)OC)C(=O)C[C@H]1C[C@H](O)C1(C)C 1776006133 MLWXOWDALPJAQL-ZJUUUORDSA-N 257.330 0.805 0 50 CCAA Cn1cnc2ccc(C(=O)N[C@H](CO)[C@H]3CCOC3)nc21 1417698992 BXVKABWGSVOEIG-JOYOIKCWSA-N 290.323 0.096 0 50 CCAA Cn1cc(CCN2CC[C@H](c3cc(O)nc(=N)[nH]3)C2)cn1 630380135 FELVTQIIGDQLEH-NSHDSACASA-N 288.355 0.360 0 50 CCAA C[C@@H](c1ccsc1)N1CCN(C(=O)CC(N)=O)CC1 274192354 GIDNNBVZQYSEFJ-JTQLQIEISA-N 281.381 0.829 0 50 CCAA CO[C@@](C)(C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)C1CC1 408238976 WFWSJCCSGSSCQW-KGLIPLIRSA-N 295.339 0.002 0 50 CCAA O=C(NCCO)c1nn(-c2ccccc2F)cc1O 305114675 JQZGURNONQJYOC-UHFFFAOYSA-N 265.244 0.439 0 50 CCAA NC(=O)C[C@]1(O)CCCN(Cc2ccncc2F)C1 643747385 DFOIVRCXKFUHKF-CYBMUJFWSA-N 267.304 0.423 0 50 CCAA CCn1ccnc1C(=O)N1CCC[C@]1(COC)C(=O)NC 644061695 SUTLFXOMFHNWBB-AWEZNQCLSA-N 294.355 0.270 0 50 CCAA Cc1cccc(N(C)C(=O)[C@@H]2CCc3nnnn3CC2)n1 651350162 JSMVCSVPJHFGEO-LLVKDONJSA-N 286.339 0.992 0 50 CCAA OCCc1cn(CC2OCCO2)nc1C(F)(F)F 194667130 VMSCBTAKXUGHDH-UHFFFAOYSA-N 266.219 0.810 0 50 CCAA O=S1CCN(Cc2ccnn2-c2ccncc2)CC1 597002754 HQNDYMFADKCEEQ-UHFFFAOYSA-N 276.365 0.832 0 50 CCAA Cc1ccc(N2CCC(N[C@@H](CO)C(N)=O)CC2)cc1 1506401705 FNVIQAXTQOPNQP-AWEZNQCLSA-N 277.368 0.400 0 50 CCAA CC[C@H]1CCCN(C(=O)CN2CCC(C(N)=O)CC2)C1 1506397187 QUSGJBSSQMUSJB-LBPRGKRZSA-N 281.400 0.832 0 50 CCAA Cc1cnc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)cn1 1529182267 ZZVCFDGTHHRREC-IUODEOHRSA-N 298.346 0.856 0 50 CCAA COc1ccc(C)cc1C(=O)N1CC[C@H](C(=O)O)[C@H](O)C1 1704348909 HOHPADZNCNVOLM-CMPLNLGQSA-N 293.319 0.911 0 50 CCAA Cc1noc(CN2CCC[C@@](O)(CC(=O)N(C)C)C2)n1 643809548 NNTDPYDFTGIFHD-CYBMUJFWSA-N 282.344 0.183 0 50 CCAA Cc1cnc(C(=O)N(C)CCN2CCOCC2)cn1 263867697 LKPXVWONMRCVON-UHFFFAOYSA-N 264.329 0.189 0 50 CCAA CSc1nc(N)cc(N2CCN(CCO)C(C)(C)C2)n1 1616042441 CMXJMOLCWXMOKZ-UHFFFAOYSA-N 297.428 0.674 0 50 CCAA Cc1cn2nnc(C(=O)NCc3ccncc3)c2c(=O)[nH]1 169769003 BWFKZCXHINVZNA-UHFFFAOYSA-N 284.279 0.051 0 50 CCAA OC[C@@H]1O[C@H](n2cnc3c(=S)[nH]cnc32)C[C@H]1O 1320028 WACLJMMBCDNRJE-VQVTYTSYSA-N 268.298 0.130 0 50 CCAA CS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 407967860 RIJPNVACGPPLQJ-ZJUUUORDSA-N 297.380 0.475 0 50 CCAA C[C@H]1C[C@H](C(=O)O)CN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 626776866 DPDGGONERSYZTC-XKNYDFJKSA-N 283.328 0.003 0 50 CCAA Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)nn1C 262861086 ZJAONKBXNCKCSI-UHFFFAOYSA-N 291.311 0.997 0 50 CCAA CS(=O)(=O)c1nnc(CN2CCC[C@@H](F)C2)s1 902994652 GTZYFHBNXTYVKL-SSDOTTSWSA-N 279.362 0.876 0 50 CCAA CC(C)n1ccc(CC(=O)N2CCOC[C@H]2CC(N)=O)n1 822126141 TZYLGAKHASVZTE-GFCCVEGCSA-N 294.355 0.109 0 50 CCAA CC1(C)CNC(=O)[C@@H]1NCc1ccc2nonc2c1 931655706 LWXXLGLMNREWHX-NSHDSACASA-N 260.297 0.837 0 50 CCAA CCc1noc(COCC(=O)N2CCn3nccc32)n1 935882343 KEIBSIJBTWEHFA-UHFFFAOYSA-N 277.284 0.392 0 50 CCAA C[C@@H]1C[C@@H](C(=O)N2CCOC[C@H]2C(=O)O)CCO1 257702879 PDABKWATEKEEDB-UTLUCORTSA-N 257.286 0.114 0 50 CCAA CNC(=O)C[C@H](C)NC(=O)c1ccc2n[nH]cc2c1 519806313 BSIPVELAOUPPCS-QMMMGPOBSA-N 260.297 0.817 0 50 CCAA CC(C)n1cnnc1CN1CCO[C@H](CCN)C1 827346304 IOGVFYKMHRVBPK-LLVKDONJSA-N 253.350 0.409 0 50 CCAA O=C(C1CSC1)N1CCC2(CCNC2=O)CC1 831767700 NKQBZNCSHJZHHN-UHFFFAOYSA-N 254.355 0.478 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C(=O)O)C2)o1 1615629997 VUVGBEPUQQQHPL-CBAPKCEASA-N 273.310 0.929 0 50 CCAA C[C@H]1CN(C2CC2)CCN1C(=O)c1n[nH]c2c1COCC2 2100545071 GNKQLZJGLAOSPH-JTQLQIEISA-N 290.367 0.791 0 50 CCAA O=C(O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)s1 2325790318 DUOXPJDXINPUJH-NTSWFWBYSA-N 295.313 0.096 0 50 CCAA O=C(c1ccc(-c2nn[nH]n2)o1)N1C[C@H]2C[C@H]1CC[C@@H]2O 2325866059 ZJZGJGSZZLEUSK-HLTSFMKQSA-N 289.295 0.445 0 50 CCAA C[C@H]1CCN(C(=O)Cn2nnc3ccccc32)C[C@@H]1O 1447012703 VXJCIZNLNBIXEZ-GWCFXTLKSA-N 274.324 0.661 0 50 CCAA CC(C)(C)NS(=O)(=O)NCCc1ccncc1 191247 QIZJSNRQFHAKGR-UHFFFAOYSA-N 257.359 0.847 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cnc(C)nc1O)C2 2356153683 QNVIJZQCFDJFQU-HZMBPMFUSA-N 293.323 0.226 0 50 CCAA CCCS(=O)(=O)N1CCC[C@@]12CCCNC2=O 2356156543 GXGXYYBRNLMBOB-LLVKDONJSA-N 260.359 0.471 0 50 CCAA Cc1occc1C(=O)N[C@H](CCC(=O)O)C(=O)O 20295950 MZLVQXFNQJPFNH-MRVPVSSYSA-N 255.226 0.636 0 50 CCAA CC[C@H](NC(=O)[C@H]1CCCCC(=O)N1)C(C)(C)O 358576121 GHBAFXHLPAFBBA-ZJUUUORDSA-N 256.346 0.711 0 50 CCAA COC(=O)[C@@H](c1ccc(F)cc1)N1CC[C@@H](C(N)=O)C1 229366028 JHUHJKCRZOJENP-ZYHUDNBSSA-N 280.299 0.847 0 50 CCAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC[C@H](N)C1 251897641 WDMNDMRHRHHEJI-MROQNXINSA-N 251.374 0.809 0 50 CCAA CCn1c(S)nnc1CNC(=O)[C@]1(C)CCCO1 151896746 OLDOIJRMBAUNRB-NSHDSACASA-N 270.358 0.772 0 50 CCAA Cc1occc1C(=O)N1CCc2c(ncn(C)c2=O)C1 328630204 POSDFHNWUPCZME-UHFFFAOYSA-N 273.292 0.880 0 50 CCAA CCNC(=O)[C@H]1CCCN(CCC2OCCO2)C1 124014694 WVWVSTCSTLYGIR-NSHDSACASA-N 256.346 0.598 0 50 CCAA CNC(=O)[C@H](C)N(c1cccc(OC)c1)S(C)(=O)=O 72436781 COBCCVBJYYWOAV-VIFPVBQESA-N 286.353 0.596 0 50 CCAA Cc1ccc(C(=O)NCCN2CCC[C@@H](CO)C2)n1C 215167554 ZJIBQDLDDOMKBE-CYBMUJFWSA-N 279.384 0.768 0 50 CCAA CNC[C@H]1CCCN1S(=O)(=O)c1cccc(C(N)=O)c1 237282998 HEGYCXMMNURJDF-LLVKDONJSA-N 297.380 0.158 0 50 CCAA C[C@@H]1NCCC[C@@H]1NC(=O)N1CC[C@H]2NCC[C@@H]2C1 333641198 IGXVKIQWGRMUAF-QNWHQSFQSA-N 266.389 0.520 0 50 CCAA Cc1ccc(C(=O)N2C[C@@H](CO)OC[C@H]2C)n1C 129470431 SEFAORVQDMKUJT-MNOVXSKESA-N 252.314 0.555 0 50 CCAA CC(C)C1=NO[C@H](C(=O)NCCCc2nnc(N)s2)C1 219466562 CXTSDVHIZWJGQP-VIFPVBQESA-N 297.384 0.970 0 50 CCAA CCc1cc(CN(C)C(=O)c2n[nH]c(N)n2)on1 71404274 GVSQRYYIZDRXTI-UHFFFAOYSA-N 250.262 0.210 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCCCc1ncc[nH]1 220487512 DQMBFYFGABQZOM-GFCCVEGCSA-N 276.344 0.498 0 50 CCAA Cc1cccc(OCC(=O)N[C@@H]2C[C@@H](CO)N(C)C2)c1C 220153447 QRNWZVJNYUMNFG-KGLIPLIRSA-N 292.379 0.863 0 50 CCAA Cn1cncc1C(=O)NC(C)(C)CN1CCOCC1 413955359 KHQMOYYEARRDRW-UHFFFAOYSA-N 266.345 0.261 0 50 CCAA COc1ncc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1 426683778 IKUZQRWUTLCPSW-QWHCGFSZSA-N 285.303 0.873 0 50 CCAA CCn1ccc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2COC)n1 223699791 WMDNEIHHURSPMG-LFSVMHDDSA-N 279.340 0.683 0 50 CCAA C[C@@]1(O)CCN(C(=O)COCc2ccccc2)C[C@@H]1O 96140985 UGFBBJXEYLGRLA-DZGCQCFKSA-N 279.336 0.547 0 50 CCAA Cc1nnc(CN(C)c2cc([C@H]3CCOC3)nc(N)n2)o1 426427992 LTJQLPFBVVZJFY-VIFPVBQESA-N 290.327 0.891 0 50 CCAA O=C1CCC(CCc2nc([C@@H]3CCOC3)no2)=NN1 96131504 OHXMLWZJENWEPJ-MRVPVSSYSA-N 264.285 0.772 0 50 CCAA CN1CCN(C(=O)N2CCCC2)C[C@@]12CCNC(=O)CC2 95370860 BMOCRQNYMCTTLB-OAHLLOKOSA-N 294.399 0.489 0 50 CCAA Cc1ncc(C(=O)NCC(=O)N2CCOCC2)s1 181084202 HSXPVXYTXFVAHJ-UHFFFAOYSA-N 269.326 0.040 0 50 CCAA CCCC[C@@H](CO)NC(=O)c1cnc(NC)nc1 97572172 YSRWOUOIKVBVMY-JTQLQIEISA-N 252.318 0.799 0 50 CCAA CN(C)C(=O)CN1CCCC[C@@H]1C1CCNCC1 242722942 XZBQJOFEERYSQE-CYBMUJFWSA-N 253.390 0.929 0 50 CCAA CC(C)Oc1ncccc1C(=O)N1CCCn2nnnc21 297642623 CXHDMJRPVXHHHY-UHFFFAOYSA-N 288.311 0.906 0 50 CCAA O=S(=O)(CCOc1ccccc1)NC1CCNCC1 534588360 QNDSPGDQEGHYSK-UHFFFAOYSA-N 284.381 0.737 0 50 CCAA CN(CCN1CCOCC1)C(=O)[C@]1(C)CCCCO1 457514166 HKWPFXIIXOSUKX-AWEZNQCLSA-N 270.373 0.736 0 50 CCAA O=C(CN1CCN2C(=O)OC[C@@H]2C1)NCC1CCCCC1 370558835 RAEPVMXYRKFPRP-ZDUSSCGKSA-N 295.383 0.819 0 50 CCAA CC(C)[C@@H](NC(=O)CN1CCCC1=O)c1ncnn1C 299770343 QDMHHKZYHJNYKY-GFCCVEGCSA-N 279.344 0.251 0 50 CCAA C[C@H]1c2cccn2CCN1C(=O)CS(C)(=O)=O 299063476 AFTNBIVSPAAAEE-VIFPVBQESA-N 256.327 0.436 0 50 CCAA CC(C)(C)N1C[C@@H](CNC(=O)c2cncnc2)CC1=O 299787486 XRAQTMMNLCRULL-SNVBAGLBSA-N 276.340 0.853 0 50 CCAA NC(=O)c1cccnc1NCCCN1CCC[C@H](O)C1 828627418 SYUGREWBRCAWCT-NSHDSACASA-N 278.356 0.439 0 50 CCAA CC[C@H](O)c1nc(CC(N)=O)nn1-c1ccc(OC)cc1 822663261 CBVUQEMJFZFNKE-NSHDSACASA-N 290.323 0.747 0 50 CCAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1NCCc3nc[nH]c31)C2 584886986 OHTFLVDKXCBHQS-QOBDMFJFSA-N 290.367 0.480 0 50 CCAA COC(C)(C)C(=O)N1C[C@@H]2CCC[C@H](C1)C(=O)N2C 670466901 GHNMNLCNXSHRHG-MNOVXSKESA-N 268.357 0.881 0 50 CCAA CCn1ncc(S(=O)(=O)NC[C@H](O)c2ccccc2)n1 1875289926 YNCAYKSGDRFACP-NSHDSACASA-N 296.352 0.310 0 50 CCAA C[C@@H]1NCCC[C@@H]1NC(=O)c1cnc2nccn2c1 876833784 XKHUQMFSHAGBBI-ONGXEEELSA-N 259.313 0.600 0 50 CCAA Cc1nonc1CS(=O)(=O)Cc1ccn(C)c(=O)c1 1875317367 WESUMEQFYHYIKB-UHFFFAOYSA-N 283.309 0.192 0 50 CCAA CCn1cc(CC(=O)NC2CN(c3ccccn3)C2)cn1 1775993189 XATVGJZYJRDFJN-UHFFFAOYSA-N 285.351 0.846 0 50 CCAA Cc1ncc(CC(=O)N2C[C@H](C)[C@@](O)(C(C)C)C2)c(O)n1 1565516072 BYMCQMKGFDSWDV-BONVTDFDSA-N 293.367 0.899 0 50 CCAA CC[C@H](COC)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 275479523 IHFYTKVGIHHHDF-BZPMIXESSA-N 280.372 0.754 0 50 CCAA O[C@]1(Cn2ccnn2)CCN(CCc2ccccn2)C1 671554196 QEXOXOPSEQOQCI-CQSZACIVSA-N 273.340 0.353 0 50 CCAA CC[C@]1(C)NC(=O)N(NC(=O)[C@@H](C)SC)C1=O 278774895 NHYMNJMAGJFBJG-LDWIPMOCSA-N 259.331 0.490 0 50 CCAA C=CC(=O)N1CC[C@H](NC(=O)CC(F)(F)F)C1 585086885 LBTIBZMOTLCFDQ-ZETCQYMHSA-N 250.220 0.842 0 50 CCAA COCCN1CN(C(=O)[C@H]2CCCO[C@H]2C)CC1=O 407982656 JKNCSXZBDUPMGE-QWRGUYRKSA-N 270.329 0.076 0 50 CCAA O[C@@]1(C(F)(F)F)CCN(C[C@@H]2CCc3ncnn32)C1 639512224 AUYMHJQFJODERY-WPRPVWTQSA-N 276.262 0.765 0 50 CCAA Cc1cc(NC(=O)[C@@H]2CCCO[C@@H]2C)nc(=O)[nH]1 191942442 FMXUCZRZSOEWND-RKDXNWHRSA-N 251.286 0.832 0 50 CCAA C=CC(=O)N(CC)CC(=O)Nc1cc(CC)n(C)n1 911202670 HPPJQIKWAWDRHY-UHFFFAOYSA-N 264.329 0.956 0 50 CCAA CCc1nn(C)c(NC(=O)c2coc(CN)n2)c1C 1529089572 DFLLIUMUIYETFJ-UHFFFAOYSA-N 263.301 0.990 0 50 CCAA Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)ncn1 394592 FVFVVRPJERUECT-UHFFFAOYSA-N 265.298 0.450 0 50 CCAA in-vivo Cc1nnc2n1C[C@@H](CNC(=O)c1onc3ncccc13)C2 1772709560 IDNNGUZQJJQEFI-SECBINFHSA-N 298.306 0.725 0 50 CCAA COC(=O)CCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O 15970959 RPRPQUTULGSUPS-GFCCVEGCSA-N 288.303 0.939 0 50 CCAA N[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1857686977 LLQSUIPAMODLQS-MFVQWFCYSA-N 262.353 0.365 0 50 CCAA Cc1ncc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)c(O)n1 1857739903 YBLOQKAVOSJBFZ-GDPRMGEGSA-N 292.339 0.082 0 50 CCAA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CNCCO2)CCO1 237641762 VHWDJHYNMHDKPV-GJZGRUSLSA-N 290.363 0.883 0 50 CCAA CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](N2CCCC2)C1 378106241 XSKYXLIJJKWUEO-NWDGAFQWSA-N 282.388 0.520 0 50 CCAA Cn1nnnc1NC(=O)Cn1ccc(C(F)(F)F)n1 904206366 HLJRINVLUFIDOO-UHFFFAOYSA-N 275.194 0.064 0 50 CCAA N[C@@H](C(=O)NCCc1cn[nH]c1)C1CCCCC1 221447994 DMNSILJSLAIHLP-GFCCVEGCSA-N 250.346 0.976 0 50 CCAA O=C(O)CN(C(=O)c1ccoc1)C1CCOCC1 238111057 RSVNOXISUBLZBA-UHFFFAOYSA-N 253.254 0.985 0 50 CCAA NC[C@H]1CCN(C(=O)Cn2c(=O)oc3ccccc32)C1 32511675 WVGHHONYAQTOLA-SNVBAGLBSA-N 275.308 0.402 0 50 CCAA Cn1nccc1S(=O)(=O)N1CCC(c2ncc[nH]2)CC1 274212972 VSAULJYNKZJKOX-UHFFFAOYSA-N 295.368 0.712 0 50 CCAA CO[C@H]1C[C@@H](CO)N(S(=O)(=O)CCc2ccccc2)C1 330529274 YZPZOUVTZSTUBV-KBPBESRZSA-N 299.392 0.641 0 50 CCAA C[C@H]1CN(CCc2cnccn2)C[C@@H]1N1CCOCC1 639513135 DOMYBQNDLXSVCU-ZFWWWQNUSA-N 276.384 0.672 0 50 CCAA CC(C)(C(=O)N[C@H]1C[C@@H](n2cccn2)C1)c1nc[nH]n1 2325803896 ISDXHBSMBRMRNG-AOOOYVTPSA-N 274.328 0.799 0 50 CCAA O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1NS(=O)(=O)c1ccccc1 2325809789 MMGFAPIYDBCNIM-WHOHXGKFSA-N 297.332 0.596 0 50 CCAA C[C@]1(C(=O)O)CCN(C(=O)c2ccc3c(c2)C(=O)NC3)C1 2325887722 HMVPQYZYUMZRAY-HNNXBMFYSA-N 288.303 0.867 0 50 CCAA CS(=O)(=O)c1cc(F)ccc1N1CCNCC1 154145 DZTMMTKMPVAHPW-UHFFFAOYSA-N 258.318 0.639 0 50 CCAA CCOc1ccc(N([C@@H](C)C(N)=O)S(C)(=O)=O)cc1 196190 VJPINHYLVUCOPK-VIFPVBQESA-N 286.353 0.725 0 50 CCAA CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1 2872106 JYBFFRNJGFPPSO-MRVPVSSYSA-N 272.326 0.108 0 50 CCAA COc1ccc(CCN[C@H]2CC(=O)N(C)C2=O)cc1OC 2876098 DMPHMEINIASPIX-NSHDSACASA-N 292.335 0.593 0 50 CCAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)C(C)C 4578636 JHHYFVNEIHPLBN-QWHCGFSZSA-N 294.351 0.576 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O 100808908 YUUGKJGNJNCMLU-BIMULSAOSA-N 293.367 0.278 0 50 CCAA CCSC[C@H](C)NCCn1nc(O)ccc1=O 67743020 VIHZFEPAXLXWDH-VIFPVBQESA-N 257.359 0.680 0 50 CCAA O=C(NCCNC(=O)C(F)(F)F)[C@@H]1C[C@@H]2C=C[C@H]1C2 67879657 GDCFAKHIIGVLEI-HRDYMLBCSA-N 276.258 0.993 0 50 CCAA O=C(/C=C/c1ccco1)NC(=S)NN1CCOCC1 23634542 ICKDDMGOAZFBRZ-ONEGZZNKSA-N 281.337 0.531 0 50 CCAA O=C(Cc1ccsc1)N[C@@H](Cc1cnc[nH]1)C(=O)O 20249877 WALWYZSCNZVXPG-JTQLQIEISA-N 279.321 0.826 0 50 CCAA COc1ccc(CNC(=O)N2C[C@H](O)C[C@@H]2CO)c(F)c1 361472654 DKFSTYIXCMWQJN-GHMZBOCLSA-N 298.314 0.471 0 50 CCAA O=C([C@@H]1CSCN1)N1CCO[C@H]([C@@H]2CCCO2)C1 122010417 YIEBGOAUFVZLIY-DCAQKATOSA-N 272.370 0.055 0 50 CCAA O=C(N1CCC(n2cccn2)CC1)[C@]1(O)CCSC1 362119709 RDHIRYIQHOBVSN-ZDUSSCGKSA-N 281.381 0.915 0 50 CCAA C[C@H](NC(=O)C[C@H](O)Cc1ccccc1)c1nncn1C 362522816 XZYZJXHEIWNZHC-WCQYABFASA-N 288.351 0.986 0 50 CCAA O=C1CC[C@H](NC(=O)c2ccc3ocnc3c2)C(=O)N1 1149388970 XFOPCIRQHUHRPJ-QMMMGPOBSA-N 273.248 0.363 0 50 CCAA CC(=O)C[C@@H]1COCCN1C(=O)CCc1cnc[nH]1 331054329 JWNRDBMRSGSURS-GFCCVEGCSA-N 265.313 0.549 0 50 CCAA Nc1cc(O)nc(CCNC(=O)c2ccc3nccn3c2)n1 219879830 BTMHPLOCBVQKRY-UHFFFAOYSA-N 298.306 0.385 0 50 CCAA CCc1noc([C@]2(O)CCN(C(=O)C3=COCCC3)C2)n1 373081452 UHTUSZAQTVSTRR-AWEZNQCLSA-N 293.323 0.746 0 50 CCAA O=C(NCCN1CCCOC1=O)c1cccc2ccnn12 72143827 WTYHRBNTIGAGRN-UHFFFAOYSA-N 288.307 0.906 0 50 CCAA CC[C@]1(O)CCN(C(=O)CCc2csc(N)n2)C[C@@H]1O 219543914 DFYDOTGTEFZKJR-GWCFXTLKSA-N 299.396 0.392 0 50 CCAA C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 332852295 AHXWHBUVEJTOBD-XGFWRYKXSA-N 299.367 0.348 0 50 CCAA COc1ccccc1N1C[C@H](C(=O)NCCN)CC1=O 35686510 ZASODKHZZYDHGQ-SNVBAGLBSA-N 277.324 0.123 0 50 CCAA C[C@@H](O)[C@H](Nc1nccc(CCC(F)(F)F)n1)C(N)=O 71751026 CEAFOOQSWALFBI-SVRRBLITSA-N 292.261 0.618 0 50 CCAA CCNC(=O)c1ccc(NC[C@@H]2CNCCOC2)nc1 72121092 OUUXTCGEKRVRFV-NSHDSACASA-N 278.356 0.479 0 50 CCAA CC(C)c1nccc(CN2CCOC[C@H]2CO)n1 216290218 RHSVZIUOSJZJKM-GFCCVEGCSA-N 251.330 0.793 0 50 CCAA Cc1c[nH]cc(C(=O)NC[C@@]2(N(C)C)CCSC2)c1=O 334031935 ABZHBUWKUANEER-AWEZNQCLSA-N 295.408 0.850 0 50 CCAA O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)[C@@]1(O)CCOC1 334112972 DPPBSGHRZUOFOQ-QVHKTLOISA-N 259.305 0.592 0 50 CCAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)c2cccc(C(N)=O)c2)C1 263363128 SLDIFACLHXJRGD-BXKDBHETSA-N 290.319 0.968 0 50 CCAA C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1ccnn1 287326695 VTSQPRSKXDBRQC-VHSXEESVSA-N 265.317 0.683 0 50 CCAA CNC[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 178408829 UMHXWZMTSYYSBF-IUODEOHRSA-N 273.380 0.769 0 50 CCAA O=C1N[C@@H](C(=O)NCCCn2ccnn2)Cc2ccccc21 426518353 RHQKOKLRRYEWKT-CYBMUJFWSA-N 299.334 0.139 0 50 CCAA CCc1nn(C)c2c(=O)n([C@@H]3CCCCNC3=O)cnc12 43040716 WBYNXBOETMKDCQ-SNVBAGLBSA-N 289.339 0.534 0 50 CCAA COC(=O)[C@@H]1CCCN1C(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 234540041 NDQQUUGZEQKRBP-UHFZAUJKSA-N 293.319 0.673 0 50 CCAA CCn1nc(C)c(NC(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)c1C 96132875 SBDPIYIKFUDJLW-ZETCQYMHSA-N 293.331 0.814 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1c[nH]c2cccnc12 622003838 GKBPNBQJHWIAIN-WPRPVWTQSA-N 272.308 0.960 0 50 CCAA CC(C)(C)N1C[C@@H](Nc2ccc3nncn3n2)CC1=O 297417152 GXQYJYQVGJYYSF-VIFPVBQESA-N 274.328 0.936 0 50 CCAA O=C(NCCN1CCCOC1=O)c1n[nH]c2c1COCC2 252483966 FLLSTBHOGFVMGM-UHFFFAOYSA-N 294.311 0.055 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC1CCN(C(=O)C2CC2)CC1 534659596 ULSASWHZZPMNFY-KBPBESRZSA-N 281.400 0.306 0 50 CCAA O=c1[nH]ccn1CCN1CCC[C@H](c2cc(O)ncn2)C1 299783071 FDBQECOYXNRKGZ-NSHDSACASA-N 289.339 0.552 0 50 CCAA CC[C@H](C(=O)NCC1(O)CCN(C)CC1)N(C)CC 822554850 NGFACFMKDJVGNS-GFCCVEGCSA-N 271.405 0.290 0 50 CCAA Cc1nc2c([nH]1)CN(C(=O)CN1CCC[C@@H](O)C1)CC2 828627481 ZQOPEOQIOWXNRF-LLVKDONJSA-N 278.356 0.060 0 50 CCAA COCCN1CCC[C@H](CNC(=O)c2cncc(O)c2)C1 824413120 CYJJNJVELBQIDN-GFCCVEGCSA-N 293.367 0.875 0 50 CCAA CCCOC[C@@H]1CCN(C(=O)CCn2cncn2)C1 584892642 QLJOYWXQIBQAPY-GFCCVEGCSA-N 266.345 0.943 0 50 CCAA CC[C@H](C(=O)N(C)C)N(C)Cc1nncn1CC 670461310 LBPZBGVAOKHYQR-SNVBAGLBSA-N 253.350 0.597 0 50 CCAA CN1C(=O)[C@@H]2CCC[C@H]1CN(Cc1ccnn1C)C2 670439984 OHAOBDMUCRRYFU-NEPJUHHUSA-N 262.357 0.863 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)C(C)(C)N1CCOCC1 670450659 BUHBNPQWWKWVBY-RYUDHWBXSA-N 286.372 0.017 0 50 CCAA CCc1nc(CN(C)S(=O)(=O)N(CC)CC)no1 670459190 AMUFNTRVHUSELP-UHFFFAOYSA-N 276.362 0.650 0 50 CCAA CN(C)CCN1CCN(Cc2nccs2)CCC1=O 670469151 YIICXIAVWKVHAG-UHFFFAOYSA-N 282.413 0.739 0 50 CCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccc(F)cn1)C2 952850349 KYXWOYXKHZKQBT-OTYXRUKQSA-N 293.298 0.185 0 50 CCAA CC1(C)Cc2n[nH]cc2CN(C(=O)C2=NO[C@@H](CN)C2)C1 952894545 NVUIWQXWNIGGAO-SNVBAGLBSA-N 291.355 0.424 0 50 CCAA CC1(C)CNC(=O)[C@@H]1N[C@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32 952965246 ZVQKDYNKFBGDSN-ZSOJELSESA-N 250.342 0.524 0 50 CCAA O=[S@@](Cc1ccc2cccnc2c1)C[C@H](O)CO 1875279253 JTGDPASPHJOZEY-XIKOKIGWSA-N 265.334 0.837 0 50 CCAA N[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CC[C@@H]32)C[C@H]1C1CC1 1875286591 WOYRGCPZPIIISL-RQJABVFESA-N 291.395 0.583 0 50 CCAA NC(=O)[C@@H](NC(=O)c1csc(O)n1)c1ccccc1F 1875261660 JDGVORSJCVUSBV-VIFPVBQESA-N 295.295 0.944 0 50 CCAA CC(C)CCn1nnnc1N1CC[C@H]2[C@@H](C1)NC(=O)N2C 1875272352 CTNGYFWSPXREFG-MNOVXSKESA-N 293.375 0.322 0 50 CCAA Cc1occc1C(=O)N(CCO)Cc1nccn1C 952970692 PVMNKSLRVICFMF-UHFFFAOYSA-N 263.297 0.956 0 50 CCAA COCCCN1CCN(Cc2ccnn2C)CC1 1206348824 GLPFCLBOIRSNRQ-UHFFFAOYSA-N 252.362 0.574 0 50 CCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1[nH]nc2c1CCCC2 19219384 AFDMVOFGEVRWEL-QMMMGPOBSA-N 281.337 0.329 0 50 CCAA Cc1nnc(NC(=O)NC[C@H]2CNC(=O)C2)s1 1475895526 SHUWBMHEWNBCAQ-ZCFIWIBFSA-N 255.303 0.104 0 50 CCAA C[C@]1(O)CCN(CCC(=O)NCc2ccco2)C[C@H]1O 1565510441 OWCYDGDCJGTLQM-OCCSQVGLSA-N 282.340 0.104 0 50 CCAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cnc(O)[nH]1 1565512887 HODYXJOXCNNUGZ-JQWIXIFHSA-N 295.339 0.985 0 50 CCAA O=C(N[C@@H]1CCNC[C@H]1O)C1(c2ccc(F)cc2)CC1 77485938 CYIPWTWBQGGWMJ-CHWSQXEVSA-N 278.327 0.696 0 50 CCAA COC[C@@H](O)CN1CCC(Nc2cccnn2)CC1 171973268 ZXJDRGALGMWSFQ-LBPRGKRZSA-N 266.345 0.360 0 50 CCAA COc1ncncc1CN[C@@H]1CCO[C@]2(CCOC2)C1 647198578 NDHVJWOWGAALSL-TZMCWYRMSA-N 279.340 0.913 0 50 CCAA CN(CCc1ccncc1)C(=O)c1ccc2c(c1)COB2O 584938988 KDHKPGOVLLVMGS-UHFFFAOYSA-N 296.135 0.614 0 50 CCAA CN(C)c1nc(CN2CCC=C(Cl)C2)nc(=N)[nH]1 585116379 SILZBVFIUIFHNB-UHFFFAOYSA-N 268.752 0.679 0 50 CCAA Cc1nocc1S(=O)(=O)NCc1ocnc1C 907597726 UZOVNVROAJNDDB-UHFFFAOYSA-N 257.271 0.758 0 50 CCAA NC(=O)CCN(CCc1ccccc1)C(=O)NCC(=O)O 1506399841 QTHQMFFQLJQFNA-UHFFFAOYSA-N 293.323 0.201 0 50 CCAA N=c1[nH]nc(N2CCO[C@@H](c3ccccn3)C2)s1 1857677391 ZQDPXFVDEWULAY-SECBINFHSA-N 263.326 0.924 0 50 CCAA CCOCCn1nc(C)nc1-c1cn2c(n1)CCNCC2 1857715984 QSHIIKKJSAGOPG-UHFFFAOYSA-N 290.371 0.632 0 50 CCAA CC(=O)N1CC[C@@](N)(C(=O)Nc2cncc(C)c2)C1 649331868 BSHGNWKXXCZFNL-ZDUSSCGKSA-N 262.313 0.278 0 50 CCAA CCn1cc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)cn1 1704311933 FQQGNGFZPZKAPI-BETUJISGSA-N 279.296 0.264 0 50 CCAA CC1=N[C@](C)(C(=O)N(C)c2ccccc2)[C@H]2C(=O)NC(=O)[C@H]12 136548394 QPRRBSBLIQTGET-HSMVNMDESA-N 299.330 0.771 0 50 CCAA O=C(NCc1cnccn1)[C@H]1NCCOc2ccccc21 1615548464 XILLAROYOLOGIK-AWEZNQCLSA-N 284.319 0.816 0 50 CCAA CN(C)CCNC(=O)CCN1C(=O)c2ccccc2C1=O 2471686 PWOKBDKKDCEZJR-UHFFFAOYSA-N 289.335 0.351 0 50 CCAA CCCN1C(=O)N[C@H](CC(=O)N2CC=CC2)C1=O 1857705231 YVHULFYWWOIVIB-SECBINFHSA-N 251.286 0.105 0 50 CCAA COc1ccccc1CCC(=O)N1CC[C@](C)(O)[C@H](O)C1 248182704 FNCOOBPIPNZCJW-ZBFHGGJFSA-N 293.363 0.972 0 50 CCAA CCn1cc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)cn1 237230310 WWSFHYMYJKJAAE-GFCCVEGCSA-N 295.339 0.999 0 50 CCAA NS(=O)(=O)C1(C(=O)N2CCc3ccc(F)cc3C2)CC1 565601297 XDUCLRFOQTYZQV-UHFFFAOYSA-N 298.339 0.532 0 50 CCAA Cn1[nH]c(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)nc1=O 931490950 ITSSBDPGFAPAGN-KBPBESRZSA-N 299.378 0.567 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CN1Cc1nccn1C(C)C 158628253 CMHPKUISWKVTPJ-QWRGUYRKSA-N 267.329 0.572 0 50 CCAA CC(C)C[C@@H](CN)NS(=O)(=O)C[C@@H]1CCCCO1 178959733 LVJXNNUDKIGGIK-RYUDHWBXSA-N 278.418 0.848 0 50 CCAA O=C(CCOc1ccccc1)N1CCOC[C@@H](O)C1 77377383 LFUVEMPRKZQZGU-LBPRGKRZSA-N 265.309 0.675 0 50 CCAA CC1=C(C(=O)N2CCNC(=O)C23CCC3)SCCO1 2325766599 CRUUAGRINXLGPX-UHFFFAOYSA-N 282.365 0.862 0 50 CCAA CN1C(=O)CC[C@H](N2Cc3cc(N)ccc3C2=O)C1=O 2325904014 CMHQPTBPDFUNKW-NSHDSACASA-N 273.292 0.372 0 50 CCAA O=C1N[C@@H](C(=O)NC2CC(Nc3ccccc3)C2)CO1 874716577 RFXYFLLOZFLKNW-HTAVTVPLSA-N 275.308 0.854 0 50 CCAA COC(=O)CCC(O)=C1C(=O)OC(C)(C)OC1=O 1857798390 CPGREXQYYIBRKM-UHFFFAOYSA-N 258.226 0.588 0 50 CCAA COc1cc(CC2C(=O)N(C)C(=O)N(C)C2=O)ccc1O 3189343 QKGPKXHMYKTOSD-UHFFFAOYSA-N 292.291 0.610 0 50 CCAA CN(CCN1CCOC[C@H]1C(N)=O)Cc1ccc(F)cc1 248563899 OBWZHDSJNPIWNQ-AWEZNQCLSA-N 295.358 0.444 0 50 CCAA Cc1cnc(CNC(=O)Nc2nncs2)cn1 23337223 XHBQXLFMBRMMHI-UHFFFAOYSA-N 250.287 0.958 0 50 CCAA COCc1nn(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(=O)o1 118954177 RXVJNLNGVLUBHS-HBNTYKKESA-N 297.355 0.924 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(Cc3ccon3)C[C@@H]2C)CC1 229307008 WQERPINFKDEQJT-SWLSCSKDSA-N 292.383 0.659 0 50 CCAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1cc(C(N)=O)cn1C 122223443 RGVQFWUDCFEBDF-ONGXEEELSA-N 278.356 0.466 0 50 CCAA CCN1C[C@@H](NC(=O)Nc2nc(C)n(C(C)C)n2)CC1=O 63846236 AAOCPASCPJHTCT-JTQLQIEISA-N 294.359 0.910 0 50 CCAA Cn1nncc1CN1CCN(Cc2ccncc2)CC1 329259919 ALOUZTSRFHSRRY-UHFFFAOYSA-N 272.356 0.528 0 50 CCAA CC1(C)O[C@@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](O)[C@@H]2O1 38294726 KEJGAYKWRDILTF-KGDYZURWSA-N 260.286 0.375 0 50 CCAA biogenic COc1cccc(CS(=O)(=O)N2CC(C)(O)C2)c1 332424980 HDLLJGUILWVQBO-UHFFFAOYSA-N 271.338 0.592 0 50 CCAA O=C(Cc1cnccn1)N[C@@H]1CCOC2(CCOCC2)C1 77489116 BSPGEMZMQKEWEF-GFCCVEGCSA-N 291.351 0.864 0 50 CCAA C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C(=O)N2)C(=O)O 262540562 RIEFJSAQGWSNPH-JGVFFNPUSA-N 292.291 0.857 0 50 CCAA COCC1(NC(=O)C[C@@H]2CNCCO2)CCCC1 71715247 VBRGGCJVDZXJES-LLVKDONJSA-N 256.346 0.440 0 50 CCAA CC(C)c1nc(N2CCC(O)(C(=O)O)CC2)no1 71747262 WTCZMTJRXOBQJM-UHFFFAOYSA-N 255.274 0.609 0 50 CCAA O=C(c1c[nH]c(=O)cn1)N1CC(c2nc3ccccc3[nH]2)C1 215685641 LFUCDNRUHILUPV-UHFFFAOYSA-N 295.302 0.886 0 50 CCAA CCc1cc(O)nc(CN2C[C@H](F)C[C@H]2C(N)=O)n1 285591260 XBTSDSIBTMNHGJ-APPZFPTMSA-N 268.292 0.142 0 50 CCAA Cc1ccc(C2(C(=O)N[C@H]3COC[C@@H]3O)CC2)cc1 220011750 KBJQDWCVIRMOAP-STQMWFEESA-N 261.321 0.903 0 50 CCAA Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 426546129 IXQXVFXUBMPVKU-LLVKDONJSA-N 299.396 0.462 0 50 CCAA CC(C)n1nccc1C(=O)NCCN1CCCC1=O 426477765 QNVGYESPGWQSPU-UHFFFAOYSA-N 264.329 0.816 0 50 CCAA COCCOc1cccc(C(=O)NC/C=C/CO)c1 617689284 GROIZKXCLVFKHP-NSCUHMNNSA-N 265.309 0.990 0 50 CCAA COc1ccc([C@H]2CN(S(C)(=O)=O)C[C@@H]2N(C)C)cc1 91965922 HKXVJEDFZKWOPK-KGLIPLIRSA-N 298.408 0.984 0 50 CCAA COCCOc1ccc(C(=O)N2CC[C@H](N)C2)cc1 237141065 GUFCIEMGYWKXFF-LBPRGKRZSA-N 264.325 0.885 0 50 CCAA COCc1cc(-c2cn(C[C@H](O)CO)nn2)ccc1OC 91625137 XFDCJRYKLMLBEL-LBPRGKRZSA-N 293.323 0.453 0 50 CCAA O=C1NCCN1CCNc1nccc(-c2cccnc2)n1 96151264 JLXJQVRVMJGEMR-UHFFFAOYSA-N 284.323 0.976 0 50 CCAA Cc1noc([C@@H]2CCCCN2C(=O)CN2CCOC2=O)n1 95517966 MYBXDJMQCWNZSR-JTQLQIEISA-N 294.311 0.884 0 50 CCAA Cn1cc([C@@H](NC(=O)c2nccn2C)[C@H]2C[C@@H](O)C2)cn1 244678414 ICFPOCCSWSJGHZ-WCQGTBRESA-N 289.339 0.396 0 50 CCAA CSCc1noc(CN(C)C[C@@H]2COCCO2)n1 244811464 SDGUGHJBAQGVCY-SECBINFHSA-N 273.358 0.780 0 50 CCAA CC1(C)OC[C@H]([C@@H]2OC(C)(C)O[C@@H]2[C@H](O)C(=O)O)O1 245204836 HUQQXZFRCUIDQI-RYPBNFRJSA-N 276.285 0.104 0 50 CCAA CN(C)c1cc(CN2CCC([C@@H](O)C(N)=O)CC2)ccn1 299749384 KDJMNNJBMCLRMQ-CQSZACIVSA-N 292.383 0.206 0 50 CCAA Nc1ncc(C(=O)NCC[C@@H]2CCCCN2)s1 534640801 YLCXBLBDUXJSSY-QMMMGPOBSA-N 254.359 0.987 0 50 CCAA NC(=O)CSCC(=O)NCC[C@H]1CCCOC1 534583406 BSMXBZOMWFPRAN-SECBINFHSA-N 260.359 0.138 0 50 CCAA CCCn1nccc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1 534631801 QCLSNNCAPUTWNY-JSGCOSHPSA-N 292.383 0.886 0 50 CCAA O=C(CCCN1CCCC1=O)NCC[C@@H]1CCOC1 534675316 WVHJTVRFTOZJRN-GFCCVEGCSA-N 268.357 0.932 0 50 CCAA CCn1c(C)ccc(C(=O)NCc2nonc2C)c1=O 584898485 CYVJWWAMGDMDIO-UHFFFAOYSA-N 276.296 0.798 0 50 CCAA C[C@H]1CN(CCC(=O)N(C)Cc2nncn2C)C[C@@H](C)O1 825012134 SOSPYCFZJJIXRM-TXEJJXNPSA-N 295.387 0.273 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)CCc1cn[nH]c1 584892763 CDQRZKNNRINDMH-RYUDHWBXSA-N 266.345 0.178 0 50 CCAA Cc1nncn1CCN(C)Cc1noc(C2CC2)n1 670462997 ZYOCINAKAWHBTA-UHFFFAOYSA-N 262.317 0.979 0 50 CCAA CC(C)[C@@H](CNC(=O)C1(CO)CC1)N1CCCC1 670473781 XWEGKTFWGDNQLN-GFCCVEGCSA-N 254.374 0.996 0 50 CCAA CCOC(=O)C[C@](C)(NC(=O)Nc1nnn(C)n1)C(C)C 685942047 BIZDZEJGTNWNAL-LBPRGKRZSA-N 298.347 0.700 0 50 CCAA CC/C=C1/CCN(C(=O)[C@H]2CN3CCN2C[C@@H]3C)C1 1875297259 INUQWJYSKUEATA-BDAVRBBVSA-N 263.385 0.943 0 50 CCAA NC(=O)CN1CCC[C@H](C(=O)N2C[C@H]3CC=CC[C@H]3C2)C1 952982681 BYNLBMMDWAOGPH-MJBXVCDLSA-N 291.395 0.608 0 50 CCAA O=C(NC1CC1)[C@H](O)C1CCN(Cc2cc[nH]n2)CC1 886068704 JGSOUCRXBGZGFA-CYBMUJFWSA-N 278.356 0.261 0 50 CCAA OC[C@@H]1COCCN1c1nc(C2CCOCC2)ns1 895933613 JSSITXXVWKTGPP-SNVBAGLBSA-N 285.369 0.630 0 50 CCAA O=S1(=O)CCC(CN[C@@]23CCC[C@H]2NCC3)CC1 1775961177 FDKCXBTUUOBRRT-CHWSQXEVSA-N 272.414 0.685 0 50 CCAA COc1ccc(S(N)(=O)=O)cc1C(=O)NC(C)C 5423627 LKBZDAQCCSRBNA-UHFFFAOYSA-N 272.326 0.481 0 50 CCAA Cc1ccc(C2(C(=O)N[C@@H]3CNCC[C@@H]3O)CC2)cc1 1565513867 OLZPRKRGXQKQJG-KGLIPLIRSA-N 274.364 0.866 0 50 CCAA C[C@@H](NC(=O)c1csc(N)n1)c1cnn(C)c1 393830378 LICDAPFWBHFHEV-ZCFIWIBFSA-N 251.315 0.950 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)NCc1cncnc1N 276853419 YCXPXIIZIOYXIH-PSASIEDQSA-N 250.302 0.490 0 50 CCAA CN1C(=O)CC[C@H]1C(=O)NCc1nc2cc(F)ccc2[nH]1 187369754 CJUJZSCVKOSXCV-NSHDSACASA-N 290.298 0.939 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)nc(C)n1 408197330 HVIFNZRXFDLLNJ-RLCGTCKNSA-N 288.351 0.833 0 50 CCAA Cc1nncn1CCN1CCC[C@](CO)(CN(C)C)C1 1506423114 CLELHKXUDCYDMT-AWEZNQCLSA-N 281.404 0.223 0 50 CCAA CCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529179392 ARHMLBDOKAAVKF-OLZOCXBDSA-N 262.309 0.769 0 50 CCAA Cc1c(C(=O)N2CCS(=O)CC2)cnn1C(C)C 408080766 CHECGVYTWNSXQJ-UHFFFAOYSA-N 269.370 0.977 0 50 CCAA Cn1ccnc1CCN1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704335052 KKHFEPVATBHVDS-HUUCEWRRSA-N 286.379 0.893 0 50 CCAA CN(CC(=O)O)C(=O)[C@@H]1CC[C@@]2(C1)C[C@H]2C(=O)O 1875291454 ZSSORUZDRUNULT-RGNHYFCHSA-N 255.270 0.420 0 50 CCAA C[C@@H]1NC(=O)N(CCCn2ccnc2)C(=O)[C@H]1C 1615545730 INHBQJWSDGDWMQ-UWVGGRQHSA-N 250.302 0.850 0 50 CCAA Cc1noc(C)c1CN1CC[C@]2(CNC(=O)CO2)C1 1772815461 LQEAODPDDBISJE-ZDUSSCGKSA-N 265.313 0.382 0 50 CCAA OCC1(CO)[C@H]2CN(C[C@@H]3CCCN4CCCC[C@H]34)C[C@H]21 1772704839 UCXFNKUGVZKLGS-CAOSSQGBSA-N 294.439 0.784 0 50 CCAA CCN1CCN(C[C@@]2(O)CCCN(CC3CC3)C2=O)CC1 19225457 ZEWRFWBNEJHFDT-INIZCTEOSA-N 295.427 0.387 0 50 CCAA Nc1nc(C(F)F)nc(N2CCc3nccnc3C2)n1 1647344387 MSTOJTKJLRYKCA-UHFFFAOYSA-N 279.254 0.744 0 50 CCAA O=C(/C=C/c1ccccc1)N[C@H]1CCO[C@H](CO)[C@H]1O 1857700636 YQGOPUADKSZLRJ-MBJTUUJISA-N 277.320 0.327 0 50 CCAA O=C(c1cn2ccsc2n1)N1CCN2C(=O)OC[C@H]2C1 1857705428 HHXPEBYWRLYWHH-MRVPVSSYSA-N 292.320 0.672 0 50 CCAA C[C@@H]1CN2C[C@@H](NC(=O)c3cccnc3O)C[C@H]2CO1 1857726319 LQCPVFXSPSQPOG-VWYCJHECSA-N 277.324 0.379 0 50 CCAA COc1cnc(C)cc1-c1nc([C@H](C)O)nn1CC(=O)O 1857734346 ISORYTQSURZRGC-QMMMGPOBSA-N 292.295 0.795 0 50 CCAA NC(=O)C[C@@H]1CN(Cc2cccc3c2CCOC3)CCO1 639895579 COJLDUVLWHHHRM-CQSZACIVSA-N 290.363 0.836 0 50 CCAA CCCn1c(C)nnc1CN1CCC[C@@](O)(CC(N)=O)C1 643807228 QYTKVMNTVBUWNO-CQSZACIVSA-N 295.387 0.199 0 50 CCAA CC1(C)NCC[C@H]1NCc1cc(=O)n2ccccc2n1 904220948 HFLWNNOABPBCKF-GFCCVEGCSA-N 272.352 0.925 0 50 CCAA CN1C[C@H]2CN(C(=O)[C@@H](O)Cc3ccccc3)C[C@H]2C1 253427767 DWYDLQDLAYQPIU-ZNMIVQPWSA-N 274.364 0.610 0 50 CCAA CCCn1nccc1C(=O)Nc1cnn(CC(=O)O)c1 663058323 NQGYVTADVUFRKC-UHFFFAOYSA-N 277.284 0.827 0 50 CCAA CC(C)(C)n1nnnc1CN(C1CC1)C1COC1 333149177 AJHARKSNHBWUFC-UHFFFAOYSA-N 251.334 0.791 0 50 CCAA COC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1 2579371 SSATZBUCOTXXGA-XHNCKOQMSA-N 259.302 0.824 0 50 CCAA O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCNCC1 20746055 RDDZPOGQAYQCHB-NSHDSACASA-N 291.326 0.610 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)CCO1 252517288 DUPHJQPDTJEVQD-WOPDTQHZSA-N 274.386 0.684 0 50 CCAA Cc1noc([C@H](C)N2CCN([C@H]3C[C@@H](C)OC3=O)CC2)n1 229454674 BIVNZLBPBXWGFM-SCVCMEIPSA-N 294.355 0.761 0 50 CCAA CN1CCC2(CCCN(C(=O)C(N)=O)CC2)CC1 67788486 BCGRYQXKNNOQSB-UHFFFAOYSA-N 253.346 0.196 0 50 CCAA Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)no1 335538 RCRBLLBFYVWIES-ZRPKBAQZSA-N 276.248 0.354 0 50 CCAA in-vitro CC(=O)N1CCOC[C@H]1C(=O)N1CCCSCC1 155017697 BLPGQMKNKRYPNV-NSHDSACASA-N 272.370 0.199 0 50 CCAA CNCC(=O)NCCc1nc2sc(C)c(C)c2c(=O)[nH]1 71752420 VUZJVOBMYIJACZ-UHFFFAOYSA-N 294.380 0.480 0 50 CCAA CCc1noc([C@H](C)NC(=O)CCN2CCN(C)CC2)n1 219319659 JFMSTPYOTBETFN-NSHDSACASA-N 295.387 0.447 0 50 CCAA Cc1nc2n(n1)CCN(S(=O)(=O)c1cncc(F)c1)C2 333096664 DRZOUJKDGUPPLJ-UHFFFAOYSA-N 297.315 0.325 0 50 CCAA O=C([C@H]1CC12CCCC2)N1CCn2c(O)nnc2C1 333466598 QPPOMTFLKXFEBC-SECBINFHSA-N 262.313 0.906 0 50 CCAA CCO[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)C1 333588959 BDNNKNXDFCUPOB-MMWGEVLESA-N 254.330 0.585 0 50 CCAA COc1nc(C)cc(C)c1CN1CCN(C)S1(=O)=O 333606897 XKSPKVWWZMHIQD-UHFFFAOYSA-N 285.369 0.699 0 50 CCAA COc1ccc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c(F)c1 285705083 XCXUKTDMRDIQAZ-CQSZACIVSA-N 296.298 0.287 0 50 CCAA CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H](C2CC2)C1 334364234 MOXSHPPZCWKUGG-STQMWFEESA-N 266.341 0.492 0 50 CCAA COc1cc(C(=O)N2CCO[C@H](CCN(C)C)C2)ccn1 71614720 JYXPAIPNRPPWLQ-CYBMUJFWSA-N 293.367 0.883 0 50 CCAA CN1CCC[C@@H]2CN(C(=O)Cc3cnnn3C)CC[C@H]21 612518054 WQXRODUMFMIQEP-DGCLKSJQSA-N 277.372 0.300 0 50 CCAA O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCCCC1 178075715 LRWIVWPQERUXMS-SNVBAGLBSA-N 262.313 0.775 0 50 CCAA Cc1ncc(C(=O)N2CCO[C@@H](C(=O)O)C2)s1 178232241 SEOYXALNSRVFMR-SSDOTTSWSA-N 256.283 0.377 0 50 CCAA COCCN(C)C[C@H]1C[C@H](CO)CN(c2ncccn2)C1 91665589 WVEMXWOFFKOAJX-KGLIPLIRSA-N 294.399 0.490 0 50 CCAA CO[C@@H]1CCC[C@H]1NC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1369046391 RIROUGIWXYDOJP-RAIGVLPGSA-N 295.383 0.864 0 50 CCAA O=C(Nc1cccnc1)N1C[C@@H](O)[C@H](n2ccnn2)C1 626292976 LCRYESJQLBAIKP-GHMZBOCLSA-N 274.284 0.123 0 50 CCAA COc1ccc(Cl)cc1CNC(=O)[C@@H]1C[C@H](O)CN1 299751093 PLLGPBDEPNIAKL-QWRGUYRKSA-N 284.743 0.688 0 50 CCAA Cc1cc(=O)c(C(=O)NC[C@H]2CCCNC2)cn1C 534669167 YLTCENNGTPCRQK-NSHDSACASA-N 263.341 0.423 0 50 CCAA O=C(CCCN1CCOCC1)N1C[C@@H]2CC[C@H]1CNC2 534652984 QTYPXOPPNXRHDU-KGLIPLIRSA-N 281.400 0.309 0 50 CCAA COc1cc(OC)nc(NCCN2CCC(CO)CC2)n1 534586370 NKCBCBRYYLOXRK-UHFFFAOYSA-N 296.371 0.610 0 50 CCAA COCC1(NC(=O)[C@H]2CCCN(C(N)=O)C2)CCCC1 617194015 GUDDTKKWLVEXHB-NSHDSACASA-N 283.372 0.853 0 50 CCAA CCc1c(C)nn(CC(=O)N[C@H](C)Cn2cncn2)c1C 299800290 VEZMKOSQVUXEGM-SNVBAGLBSA-N 290.371 0.859 0 50 CCAA O=C(NCCCN1CCCC[C@@H]1CO)c1ccc(CO)o1 828710811 JDTLWSGMQUUWJP-GFCCVEGCSA-N 296.367 0.739 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1cnc(C2CC2)nc1 828199476 DZOYTHAGALGATR-VXGBXAGGSA-N 286.335 0.904 0 50 CCAA CS(=O)(=O)NCCC(=O)NCCCC[C@H]1CCCO1 670450255 UVKFDGLCSQPDPC-NSHDSACASA-N 292.401 0.391 0 50 CCAA O=C([C@H](O)c1cnc[nH]1)N1CCC[C@H]1CN1CCCCC1 865141853 XIJHQOHNFDSJBE-GXTWGEPZSA-N 292.383 0.920 0 50 CCAA CC(=O)N1CCC(N2C[C@H](O)[C@@H](N3CCCCC3)C2)CC1 670434653 NYQQRDAGLGFSMA-HOTGVXAUSA-N 295.427 0.528 0 50 CCAA O=C(O)c1ccccc1CNS(=O)(=O)[C@@H]1CCOC1 864499707 CNMQPOXPPZZKHL-SNVBAGLBSA-N 285.321 0.593 0 50 CCAA Cc1cc(CNC(=O)[C@@H]2COCCO2)oc1C(=O)O 630330535 ZUNLVUCIWUDKLE-VIFPVBQESA-N 269.253 0.318 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@@]12CC=C[C@@H](C1)OC2 1875376652 DYYBRAHAFVNRLR-UUSSSYRCSA-N 250.342 0.956 0 50 CCAA O=C(C[C@@H](C(F)F)n1ccnc1)N1CCOCCN1 1875274332 OEAMENNJCANJBE-VIFPVBQESA-N 274.271 0.443 0 50 CCAA CN=c1[nH]c(C(=O)NC/C=C/C(=O)OC)cs1 1875272918 HVWIZVGDSPRUSQ-ONEGZZNKSA-N 255.299 0.066 0 50 CCAA NC(=O)c1cn(C[C@H](O)Cc2ccc(F)cc2)nn1 1875282068 LNLURYNCEHVSIR-SNVBAGLBSA-N 264.260 0.120 0 50 CCAA CNC(=O)[C@H]1C[C@H](N(C)C)CN(C(=O)OC(C)(C)C)C1 1775998355 AICAQRTWXLTMAR-QWRGUYRKSA-N 285.388 0.920 0 50 CCAA Cn1nc(C(=O)N2CC(C)(C)[C@@](O)(C3CC3)C2)ccc1=O 1565507848 NZSRAPJCLAPWIV-HNNXBMFYSA-N 291.351 0.403 0 50 CCAA Cc1cncc(C(=O)N[C@]2(CCO)CCOC2)c1 278047603 IXKIBUWAAUINHT-CYBMUJFWSA-N 250.298 0.661 0 50 CCAA CC(C)S(=O)(=O)CC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 408275949 DDNYISVGOOTPMT-PWSUYJOCSA-N 289.397 0.836 0 50 CCAA CN1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1(C)C 408524114 XYBDIRSIENOFLO-NSHDSACASA-N 267.373 0.598 0 50 CCAA C[C@@H]1CCCN[C@@H]1CNC(=O)CCCn1cncn1 408525449 CRWMDZRAVICYSB-VXGBXAGGSA-N 265.361 0.563 0 50 CCAA CCCc1[nH]ccc1C(=O)NCCNS(=O)(=O)CC 408521779 GTBMWUAAYDYBCS-UHFFFAOYSA-N 287.385 0.636 0 50 CCAA Cc1ccc(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)cn1 636225016 POZNINGUEROTSY-CYBMUJFWSA-N 287.323 0.523 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(CC(F)(F)F)C1 643810651 GTUNPUSTJQYBEQ-SNVBAGLBSA-N 268.279 0.854 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(C)nn1 643946003 UNNYIXODECKJRZ-AWEZNQCLSA-N 292.339 0.152 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccnnc1C 567634092 HYFFVQNRKWGFBD-WDEREUQCSA-N 265.313 0.661 0 50 CCAA CC1(C)C[C@@H]1C(=O)NCC1CCN(S(N)(=O)=O)CC1 1506411964 VJOIUQWWYVBSKU-SNVBAGLBSA-N 289.401 0.064 0 50 CCAA Cc1cc(NC(=O)CN2CCO[C@@H]3COCC[C@@H]32)no1 933972787 BSNASKCDHKCZMB-WDEREUQCSA-N 281.312 0.411 0 50 CCAA COC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 582517 HLUYQROQCBEXPR-UHFFFAOYSA-N 285.321 0.828 0 50 CCAA Cc1ncc(Cl)c(C(=O)NC[C@@H]2COCCN2)n1 638617838 CBKVNPUQIUMLSW-MRVPVSSYSA-N 270.720 0.157 0 50 CCAA CC(=O)c1cnc(NCCN2CCOCC2)nc1C 1704306550 OLJPJGPPQKAEKN-UHFFFAOYSA-N 264.329 0.732 0 50 CCAA COc1ncnc(N(C)C)c1NC(=O)C1CCOCC1 152941389 ZGBLUFLRPSOGNN-UHFFFAOYSA-N 280.328 0.916 0 50 CCAA O=C(CN1CCC(CO)CC1)N[C@@]12CCC[C@@H]1NCC2 1615549775 WRKBQHVKXIUGOU-DZGCQCFKSA-N 281.400 0.092 0 50 CCAA CCO[C@H]1C[C@H](NC(=O)C2(N)CC(O)C2)C1(CC)CC 1616040449 KAXWRWSXROIVKC-WVIDZAQPSA-N 284.400 0.939 0 50 CCAA CC(C)CNC(=O)C(=O)NC[C@H]1COc2ccccc2O1 5050353 NGFHALRKIGOGBT-NSHDSACASA-N 292.335 0.715 0 50 CCAA O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)n2cnnc2N1 13124691 ZEOXIFDXVDJUNA-VIFPVBQESA-N 275.243 0.880 0 50 CCAA COC(=O)c1ccc2c(c1)[n+](CCO)c(C)n2CCO 16944632 YRPBYMCFARUIFU-UHFFFAOYSA-N 279.316 0.008 0 50 CCAA CC(=O)NCC(=O)N1CCO[C@@H](Cc2ccc(F)cc2)C1 19741809 YDQQDWQDNFJZDN-AWEZNQCLSA-N 294.326 0.732 0 50 CCAA Cc1ccnc(N2C[C@@H]3C[C@H](CO)[C@H](CO)[C@@H]3C2)n1 1857741479 UWFXSTNFCLGDKW-LOWDOPEQSA-N 263.341 0.458 0 50 CCAA CC1(C(=O)N2CC[C@H](c3cc(O)nc(=N)[nH]3)C2)CC1 630721755 FNSBUYFOCOLFKS-QMMMGPOBSA-N 262.313 0.711 0 50 CCAA CC(=O)N[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 332700383 VBSINVZHGQXPLK-YUMQZZPRSA-N 291.307 0.869 0 50 CCAA CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc[nH]1)C2 247529092 OGRAUUYZWXHQJP-MNOVXSKESA-N 297.380 0.511 0 50 CCAA N[C@H]1C[C@@H](O)CN(c2cc(C(F)(F)F)ccn2)C1 1857685286 GXPUBPDLFIYDBR-DTWKUNHWSA-N 261.247 0.999 0 50 CCAA CC/C=C/CCN1Cc2nnc(C)n2C[C@H]1C(N)=O 818143192 XUFWBWGATLRDFP-ZWNMCFTASA-N 263.345 0.612 0 50 CCAA Cn1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1=O 262631702 FLYKUGCPNQEEJC-SNVBAGLBSA-N 264.281 0.465 0 50 CCAA CC(C)(C(=O)O)n1cc(NC(=O)c2cnns2)cn1 193019551 JACJCGPSPVSGDJ-UHFFFAOYSA-N 281.297 0.807 0 50 CCAA O[C@]1(CN2CCc3ccccc3C2)CNCCOC1 77524994 LFFYLJJRRBAPKH-HNNXBMFYSA-N 262.353 0.396 0 50 CCAA O=C(O)Cc1csc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)n1 719087690 NKUVHWJFJABJNC-OPRDCNLKSA-N 296.348 0.954 0 50 CCAA N[C@@H](CO)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 888095981 MVEGLMGXESATIH-LBPRGKRZSA-N 283.759 0.308 0 50 CCAA FC(F)(F)c1noc(CN2C[C@@H]3CCN[C@@H]3C2)n1 534662418 XMHMRBHXEYEVTO-NKWVEPMBSA-N 262.235 0.882 0 50 CCAA C[C@]1(C(=O)NOCc2cccnc2)COC(=O)C1 2325796521 WFEFCQVGDRQCQJ-GFCCVEGCSA-N 250.254 0.583 0 50 CCAA Cc1nn[nH]c1CCCNC(=O)c1cnc2ccnn2c1C 2325819361 CDQDGQPQXLTTQN-UHFFFAOYSA-N 299.338 0.827 0 50 CCAA Cc1n[nH]c(C)c1CCCNC(=O)CCc1nc(O)n[nH]1 2356148863 XCLAUBSKWJOBQF-UHFFFAOYSA-N 292.343 0.532 0 50 CCAA O=C(NC[C@@H](O)c1ccccc1Cl)[C@@H]1CNCCO1 151447765 DQXGSVPTYVVZMO-NEPJUHHUSA-N 284.743 0.478 0 50 CCAA O=C(C[C@@H]1CNCCO1)N(C[C@H]1CCCN1)C1CC1 328642935 RFHLHXDOQOHCFQ-DGCLKSJQSA-N 267.373 0.108 0 50 CCAA COC(=O)CCC(=O)/N=c1/ccnc2n(C)[nH]cc1-2 253393311 ZZICJZQWKKMDJS-DHDCSXOGSA-N 262.269 0.234 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CC(O)(C3CC3)C2)CC1=O 332849664 VEHHYVRJJXDYPN-YUSALJHKSA-N 293.367 0.162 0 50 CCAA CN(CCCO)C(=O)[C@H]1Cc2ccc(F)cc2C(=O)O1 367028506 GHCNTQINLNSFAR-GFCCVEGCSA-N 281.283 0.748 0 50 CCAA CN(C)C[C@@]1(O)CCN(Cc2ccc(O)c(C(=O)O)c2)C1 72431249 JTMZMUXSRZJHKR-HNNXBMFYSA-N 294.351 0.589 0 50 CCAA Cn1nccc1CCNC(=O)c1nc(=O)[nH]c2ccccc12 216440750 YDJWSATYVJZHKS-UHFFFAOYSA-N 297.318 0.629 0 50 CCAA CC(=O)N1CC(Nc2cccc(OCC(=O)O)c2)=CC1=O 218557155 QJHVOCDSLULBHV-UHFFFAOYSA-N 290.275 0.835 0 50 CCAA C[C@@](O)(CNC(=O)CCC1CCOCC1)C(=O)O 262336853 BYHLFAXXANQKMQ-GFCCVEGCSA-N 259.302 0.145 0 50 CCAA C[C@H](C(=O)N1CCO[C@H](CC(=O)O)C1)C1CCOCC1 263292811 RLXJTAXEQJZMIZ-CMPLNLGQSA-N 285.340 0.751 0 50 CCAA O=C(c1cccc2[nH]ncc12)N1CC[C@H](N2CCNCC2)C1 285947630 GDSXSANPMACEIU-LBPRGKRZSA-N 299.378 0.683 0 50 CCAA CO[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CC[C@H]1N 71524295 SKOGRZDLKNFTHN-SKDRFNHKSA-N 264.329 0.475 0 50 CCAA O=C(O)CNC(=O)Cn1nc(-c2cccs2)ccc1=O 49548179 SQYFYROCDXSVRH-UHFFFAOYSA-N 293.304 0.173 0 50 CCAA CN(C)Cc1ccccc1CNC(=O)Cn1ccnn1 426401879 NSHRMWLZOMDZSC-UHFFFAOYSA-N 273.340 0.656 0 50 CCAA CS(=O)(=O)NCCC(=O)N[C@H]1COc2ccccc2C1 193601784 NXBBVHUXXNDULY-LLVKDONJSA-N 298.364 0.046 0 50 CCAA Cc1cnccc1CN(C)C(=O)[C@@H](C)N1CCN(C)CC1 426548932 XWDLFVHXEUYICW-CQSZACIVSA-N 290.411 0.984 0 50 CCAA NC(=O)C[C@@H]1COCCN1C(=O)c1onc2c1CCCC2 616150221 PSTCDLWYYXBHCZ-SECBINFHSA-N 293.323 0.270 0 50 CCAA CN(Cc1ccc2nonc2c1)C(=O)c1ccc(=O)n(C)n1 97636559 SRKXFRYQTQCHMV-UHFFFAOYSA-N 299.290 0.589 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)N1CCOC[C@H]1CO 91792957 NFTLISQNRLRWHY-CYBMUJFWSA-N 295.383 0.935 0 50 CCAA CC(C)N1CCO[C@@H](CC(=O)N(C)CCn2cccn2)C1 97655309 PLVVVTZNJSLXJM-AWEZNQCLSA-N 294.399 0.841 0 50 CCAA C[C@@H](OCC(F)(F)F)C(=O)N1CC[C@@H](C(=O)O)C1 237398396 AGDDDMDGXBQBAB-RNFRBKRXSA-N 269.219 0.887 0 50 CCAA CN(CC(=O)NC[C@]1(O)CCNC1)Cc1ccc(F)cc1 244787892 QFSCLMIDAGJEKJ-HNNXBMFYSA-N 295.358 0.098 0 50 CCAA Cc1ccnn1CCN1CCN(CC2CC2)[C@@H](CCO)C1 244787854 QEWAUWOUIJEOKX-INIZCTEOSA-N 292.427 0.970 0 50 CCAA CCn1ccc(CN(CCO)Cc2nccn2C)n1 244795367 REXRGHOUEKLDEF-UHFFFAOYSA-N 263.345 0.631 0 50 CCAA Cc1ccc(OCCS(=O)(=O)N2CC[C@H](CN)C2)cc1 534589524 VLWALPABGUQDPG-CYBMUJFWSA-N 298.408 0.984 0 50 CCAA CC(C)n1ccnc1CNC(=O)[C@H]1CCS(=O)(=O)C1 534663931 FVLLSWABVYCPNY-JTQLQIEISA-N 285.369 0.515 0 50 CCAA CC(C)[C@@H](NS(=O)(=O)c1cccnc1)c1ncnn1C 534581923 UJPGKAQMDROQLS-LLVKDONJSA-N 295.368 0.886 0 50 CCAA O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C=CCN1 534633983 UPSRRGBLOBTFSM-NSHDSACASA-N 260.293 0.602 0 50 CCAA CCCCS(=O)(=O)N[C@H]1CN(C(C)C)C[C@@H]1OC 822880499 WLOKQVDNJPBWGQ-RYUDHWBXSA-N 278.418 0.814 0 50 CCAA CCOC[C@@H](O)CNC(=O)C1CCN(C(=O)CC)CC1 823315637 KDXVTBOAMFZWKM-LBPRGKRZSA-N 286.372 0.149 0 50 CCAA CN1CCN(C(=O)CCc2cccc(O)c2)C[C@H]1CCO 584897386 JMOFOAMLUDQMIJ-CQSZACIVSA-N 292.379 0.850 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)Cn2ccnc2C)C1 670469589 DLWPUSHDTQRPPO-LLVKDONJSA-N 264.329 0.176 0 50 CCAA COc1nnc(Cn2ccnc2S(C)(=O)=O)s1 1875281208 VRPBIBOQSSSFON-UHFFFAOYSA-N 274.327 0.195 0 50 CCAA C[C@@H](O)CONC(=O)[C@@H]1C[C@H](O)c2ccccc2O1 1875295725 OXBILRSJRZVIIH-QRTLGDNMSA-N 267.281 0.300 0 50 CCAA CC(C)c1nncn1CCNC(=O)c1cc(O)nn1C 1875293320 LXNNHIVQQVENJM-UHFFFAOYSA-N 278.316 0.271 0 50 CCAA C[C@H](NC(=O)CN1CCCCCC1=O)c1nn(C)cc1O 1456785985 HYHJNBMWOZODNR-JTQLQIEISA-N 294.355 0.706 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@]1(c2cnn(C)c2)CCCO1 1875376910 MRBVENYXTSBIIK-DRDHIDPGSA-N 292.383 0.660 0 50 CCAA Cc1ccc(CCNC(=O)C[C@@H]2CNC[C@H]2O)cn1 1875401889 VFSBIFHPCLJIRW-CHWSQXEVSA-N 263.341 0.019 0 50 CCAA C=CC(=O)NCC(=O)N[C@@H]1CCOc2ccccc21 888098820 SAAYLZWKSHRXPF-LLVKDONJSA-N 260.293 0.929 0 50 CCAA CN(CC(=O)NC(C)(C)C)[C@@H]1CCC[C@H]1S(C)(=O)=O 245339282 RSIPZIJBQVHTSA-GHMZBOCLSA-N 290.429 0.799 0 50 CCAA O=C([C@H]1NCc2ncncc21)N1CCC(F)CC1 1775962524 QHNVFKANCLFTRE-NSHDSACASA-N 250.277 0.581 0 50 CCAA Cc1c(C(=O)N(C)CC(C)(CO)CO)ccc2cncn12 1776002382 RPBPWTYLCXXHIC-UHFFFAOYSA-N 291.351 0.706 0 50 CCAA C[C@H]1CN(C(=O)C2CN(C3CCOCC3)C2)CC[C@@H]1O 897453579 OQWDEGYPAKUILV-FZMZJTMJSA-N 282.384 0.327 0 50 CCAA Cc1[nH]c(=NCC(C)(CO)CO)ccc1Br 393877581 VKEFUUQBHMOYDU-UHFFFAOYSA-N 289.173 0.977 0 50 CCAA Cc1cc(N2CCN(C[C@H](O)Cn3cccn3)CC2)n[nH]1 187208437 FNEOOFIMNGHPQM-ZDUSSCGKSA-N 290.371 0.098 0 50 CCAA C[C@H](c1ccccn1)N(C)C(=O)N1CCS(=O)(=O)CC1 408398809 YAAQDTOPIPJPAM-LLVKDONJSA-N 297.380 0.925 0 50 CCAA COC(=O)[C@H]1C[C@H](OC)CCN1CCN1CCCC1=O 222190606 GHMFAZBYMHKLBW-VXGBXAGGSA-N 284.356 0.261 0 50 CCAA CC[C@@]1(CO)CCCN1C(=O)Cn1c(C)cc(O)cc1=O 189262215 LTVSZIRHFPZOMM-HNNXBMFYSA-N 294.351 0.626 0 50 CCAA C[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@H](C(N)=O)O1 639890020 MVTOICNRRVEYDE-IAQYHMDHSA-N 290.363 0.834 0 50 CCAA CCc1ncc(S(=O)(=O)N2CC[C@H](CN(C)C)C2)[nH]1 688587502 PZRHFKIWFBSMEP-SNVBAGLBSA-N 286.401 0.544 0 50 CCAA CN1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 659832158 NVFINRIEUVMKLT-JHJVBQTASA-N 251.374 0.681 0 50 CCAA COc1cc(C)nc(N[C@@H]2C[C@H](C(=O)O)C[C@H]2O)n1 662895878 IIHUEYISTIBUJL-DJLDLDEBSA-N 267.285 0.430 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C(C)=O)CC1 336600277 RNIORJWCPHMJJL-STQMWFEESA-N 268.357 0.882 0 50 CCAA CO[C@@H]1CCC[C@]12CCCN(C(=O)Cn1cnnn1)C2 1704325328 KDYDVAMVGWRJRE-DGCLKSJQSA-N 279.344 0.481 0 50 CCAA CCc1nc(N)nc(NCC2(O)CCN(C)CC2)c1C 1704316314 XSWWHVMRIRTKTG-UHFFFAOYSA-N 279.388 0.798 0 50 CCAA COC(=O)[C@H]1C(=O)/C(=C\N2CCOCC2)C(=O)CC1(C)C 447218 NZSHGTRWHPKVAD-ZWLSGLHFSA-N 295.335 0.560 0 50 CCAA OCCCN(Cc1ccccc1)Cc1nnc(O)nc1O 1615586522 BFZFHPCGDPHIMB-UHFFFAOYSA-N 290.323 0.667 0 50 CCAA OCC1(CO)[C@H]2CN(Cc3ccn4nccc4c3)C[C@@H]21 1772804150 HURDBEGXPJPRIS-KBPBESRZSA-N 273.336 0.367 0 50 CCAA Cc1cccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1 16606657 HRNYLAHLAOHSAI-LLVKDONJSA-N 299.330 0.867 0 50 CCAA O=C(CCCC(=O)NC[C@@H]1CCCO1)NC[C@@H]1CCCO1 2757201 DVPYZMXIVHCJCH-STQMWFEESA-N 298.383 0.747 0 50 CCAA Cc1cc(S(=O)(=O)N2CC[C@@H]3NCCC[C@@H]3C2)n(C)n1 1857669964 GTSWEFGPFVVCFW-NEPJUHHUSA-N 298.412 0.491 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)C[C@H]1O 1857737588 UAGYFVRULSMPMA-CYZMBNFOSA-N 266.316 0.583 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1cnc(C)[nH]1 644060059 KTCIJNUWMUTAJV-CYBMUJFWSA-N 280.328 0.085 0 50 CCAA C[C@H](C(=O)O)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 263549880 JYQRASKLDMVFCP-UWVGGRQHSA-N 276.292 0.629 0 50 CCAA COC(=O)c1cncc(N2CC[C@H](N(C)C)[C@H]2C)n1 389222566 WXANPABNSPRDFV-KOLCDFICSA-N 264.329 0.792 0 50 CCAA O=C1NCCC[C@H]1N1C(=O)c2cccc(F)c2C1=O 1857781064 IIVHJKBFAAWAGQ-SECBINFHSA-N 262.240 0.700 0 50 CCAA COc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1 1802348 QZKUICNZQQWHSZ-UHFFFAOYSA-N 284.337 0.206 0 50 CCAA O=C(c1c[nH]nn1)N1CCN(c2cccc(O)c2)CC1 120066259 QEUUREOXAFYEGW-UHFFFAOYSA-N 273.296 0.473 0 50 CCAA CN(C[C@H](O)CN1CCOCC1)[C@@H]1C=CCCC1 229862497 IIOAIGRWBMVIIN-KGLIPLIRSA-N 254.374 0.720 0 50 CCAA O=C(NCCc1c[nH]cn1)c1cnc2sccn2c1=O 61719959 FIBOUHGPLLAPBG-UHFFFAOYSA-N 289.320 0.452 0 50 CCAA Cn1cccc(NC(=O)N2CCC[C@@H](O)C2)c1=O 408217970 OIFNRJLVYSNNEN-SECBINFHSA-N 251.286 0.374 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)[C@H]1CCS(=O)(=O)C1 426494322 OURSISHYYLUNMP-JTQLQIEISA-N 285.369 0.120 0 50 CCAA CS(=O)(=O)CCC(=O)N(CCO)Cc1cccs1 1142530634 NZYAYYWBAVQIFY-UHFFFAOYSA-N 291.394 0.504 0 50 CCAA Cn1nc(C(=O)NC[C@H]2CCCO2)c2ccccc2c1=O 611956 HNHANSHSSAUPQM-SNVBAGLBSA-N 287.319 0.842 0 50 CCAA C[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2c2nn[nH]n2)C1(F)F 1875278136 BUDNNKYDSXZVLM-QYNIQEEDSA-N 257.244 0.764 0 50 CCAA CO[C@H](C)CNC(=O)c1cccc(-c2nc(O)n[nH]2)c1 2325815450 DPGBUCZESXUITA-MRVPVSSYSA-N 276.296 0.942 0 50 CCAA C[C@H](NC1=NC[C@@]2(CO)COCCN12)c1ccns1 2325864243 JRTCJFWFEXWAIY-JOYOIKCWSA-N 282.369 0.227 0 50 CCAA O=C(C[C@@H]1NCCNC1=O)Nc1ccc(F)cc1 533843 FUGCPGSWUPZYDI-JTQLQIEISA-N 251.261 0.242 0 50 CCAA Cc1cccc(N(CC(N)=O)[C@H]2SC(=O)NC2=O)c1 1318026 ISLUSJLNYRXMBD-NSHDSACASA-N 279.321 0.596 0 50 CCAA CCOC(=O)C(CCc1nnc(N)s1)C(=O)OCC 2910145 ZXYRXJZZZDFXMA-UHFFFAOYSA-N 287.341 0.795 0 50 CCAA CO[C@H]1C[C@@H](CO)N(C(=O)c2ccncc2Cl)C1 345478674 UAOCTQKHCANXHB-IUCAKERBSA-N 270.716 0.957 0 50 CCAA O=S(=O)(N[C@H]1CCCCNC1)c1cn2c(n1)CCCC2 420456192 ZDKGZVUQDDDHHD-NSHDSACASA-N 298.412 0.640 0 50 CCAA CC1(C(=O)NS(=O)(=O)C[C@@H]2CCCCO2)CC1 119139089 LDCGEQDMBSXBGX-VIFPVBQESA-N 261.343 0.802 0 50 CCAA CC(=O)N[C@@H](Cc1c(C)[nH]c2ccccc2c1=O)C(=O)O 65361859 FIKRPLIAEGVYAX-ZDUSSCGKSA-N 288.303 0.968 0 50 CCAA O=C(CCl)NNC(=O)C1CCN(c2ncccn2)CC1 143608625 SKPKSCWQGMQDDW-UHFFFAOYSA-N 297.746 0.079 0 50 CCAA CC(C)c1cc(C(=O)NC2(C(N)=O)CC2)cc(O)n1 121635404 DGXTWWPCEXHLHI-UHFFFAOYSA-N 263.297 0.658 0 50 CCAA COC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1c1ccccc1 253432434 KJBWCGDRLLIPGF-QWHCGFSZSA-N 292.335 0.306 0 50 CCAA Cc1cc(CS(=O)(=O)N2CCC[C@H](N(C)C)C2)on1 330132020 LGAKWSZFKVITFH-NSHDSACASA-N 287.385 0.839 0 50 CCAA COC[C@H]1CN(CC(=O)NC(C)C)CC(C)(C)O1 330532870 NYUBPQVBYRJRRT-LLVKDONJSA-N 258.362 0.637 0 50 CCAA O=C(O)[C@@H]1CC[C@H](NC(=O)C2(O)Cc3ccccc3C2)C1 366664024 IQIGPYQOFARLOR-MFKMUULPSA-N 289.331 0.886 0 50 CCAA O=C(c1ccc2nncn2c1)N1CCOC[C@@]12CCOC2 333029859 BYEHROBGWOMCDX-AWEZNQCLSA-N 288.307 0.361 0 50 CCAA CCN(CC(=O)N1CCCNC(=O)[C@H]1C)C1CC1 373763640 SXYVKTMHHSILNU-SNVBAGLBSA-N 253.346 0.208 0 50 CCAA Cc1nc[nH]c1-c1nccn1CCN1CCNC1=O 71759861 PQVSZXUZESNYAM-UHFFFAOYSA-N 260.301 0.607 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 335864951 MWABHHRSSFHCEH-SECBINFHSA-N 270.354 0.830 0 50 CCAA CC[C@H]1CN2CCC[C@H]2CN1C(=O)CCc1cn(C)nn1 611694805 CMXVZZFFNMBFFP-KBPBESRZSA-N 291.399 0.833 0 50 CCAA Cc1nnc([C@H](C)N2C[C@@H](C)[C@H](C(N)=O)C2)s1 286252250 QSPNEBYUCJWWFJ-BKPPORCPSA-N 254.359 0.961 0 50 CCAA COC(=O)N[C@@H](C)C(=O)N(C)Cc1cnn(C)c1 221321671 PXQCKXPWKGXYJY-QMMMGPOBSA-N 254.290 0.123 0 50 CCAA COC[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1 178143806 IQDYZJGROKIGRP-KBPBESRZSA-N 278.352 0.430 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)cn2)[C@H](O)C1 426395439 VLMSFILXCGORPO-ZYHUDNBSSA-N 297.742 0.447 0 50 CCAA CN1CCCN(CC(=O)NCCCc2ncc[nH]2)CC1 222930898 UQQLAFSNLVNWND-UHFFFAOYSA-N 279.388 0.096 0 50 CCAA CN(C[C@H]1COCCO1)C(=O)NCCc1cn[nH]c1 426373895 YMQAMJCSSISFRB-NSHDSACASA-N 268.317 0.009 0 50 CCAA CN(C)[C@@H]1[C@@H](NC(=O)CCc2ccncc2)[C@H]2CCO[C@H]21 223102813 AEBQLCLKBKFKFG-SLBVQIDZSA-N 289.379 0.848 0 50 CCAA CCc1noc(CNC(=O)[C@H](O)CCSC)n1 220047563 PNCDQAAJKCFEEP-SSDOTTSWSA-N 259.331 0.362 0 50 CCAA CCn1cc(CN(C)CC(=O)NC[C@@H]2CCCO2)c(C)n1 426530779 ISHARCMGCAHADL-AWEZNQCLSA-N 294.399 0.938 0 50 CCAA COCc1cc(CNC(=O)[C@H](C)n2ccnc2)[nH]n1 426707496 VEUHHWVLRRNIJJ-VIFPVBQESA-N 263.301 0.630 0 50 CCAA CO[C@@H]1CN(c2ncccc2F)C[C@H]1c1cnn[nH]1 621337351 WPTYSPDIDCJMDB-GZMMTYOYSA-N 263.276 0.958 0 50 CCAA O[C@]1(C(F)(F)F)C[C@](O)(C(F)(F)F)NC(=S)N1 95918513 KTMKCFQWNNBDGJ-IMJSIDKUSA-N 284.181 0.356 0 50 CCAA Cn1ccc2c(C(=O)NC[C@H]3CNCCO3)cccc21 97492426 UQLRLDIDTBCBAO-LLVKDONJSA-N 273.336 0.897 0 50 CCAA CCc1nnc(CNC(=O)c2ncc(OC)cn2)o1 622463717 LFSULVQPIWHIHT-UHFFFAOYSA-N 263.257 0.361 0 50 CCAA Cc1nncn1CCn1ncc2ccccc2c1=O 95365632 MZWSWKYSKXGFBU-UHFFFAOYSA-N 255.281 0.997 0 50 CCAA O=S(=O)(NC1CCCC1)[C@H]1CCCN(CCCO)C1 183747564 MPUZAPDTILHMQM-ZDUSSCGKSA-N 290.429 0.695 0 50 CCAA C[C@H](CCC(=O)NCCc1cnccn1)N1CCOCC1 240824893 QLRPKVNZFGZSBB-CYBMUJFWSA-N 292.383 0.636 0 50 CCAA Cc1cc(C)n(C2CN(C(=O)[C@@H]3CCCN3C)C2)n1 603878704 BBDRRROZLNWHCK-ZDUSSCGKSA-N 262.357 0.977 0 50 CCAA CC(C)Cc1noc([C@H](C)NC(=O)N2CC(O)C2)n1 534667795 NWANUUKHUKMEBM-QMMMGPOBSA-N 268.317 0.715 0 50 CCAA C[C@@H]1O[C@H](C)C[C@H]1C(=O)N1C[C@@H](C)O[C@@H](C(=O)O)C1 630198989 DXJXLWYXWRBWCZ-KAMPLNKDSA-N 271.313 0.500 0 50 CCAA Cc1nnc(CN2CCN(c3nc[nH]n3)CC2)s1 299779126 JUIAHDIEOPBOLS-UHFFFAOYSA-N 265.346 0.287 0 50 CCAA O=C(C[C@H]1CCCOC1)N1CCN(c2nc[nH]n2)CC1 299760207 HUXRXUKSQUOKAR-LLVKDONJSA-N 279.344 0.270 0 50 CCAA CCNC(=O)N1CCC(NC(=O)c2cncn2C)CC1 584899824 VHZKUPIOYUHSPL-UHFFFAOYSA-N 279.344 0.344 0 50 CCAA Cc1cc(C)n(C2CN(C(=O)CCCn3cncn3)C2)n1 733966279 UHSRZLMEQXBTQH-UHFFFAOYSA-N 288.355 0.955 0 50 CCAA Cc1nc(-c2cnc3ccccn3c2=O)n(CCCO)n1 670471495 MGODVMMTPHOCMD-UHFFFAOYSA-N 285.307 0.644 0 50 CCAA Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@@H](N)[C@H](N)C1 1875270207 OZFOSJJXEOBPLW-CHWSQXEVSA-N 288.326 0.793 0 50 CCAA CN1CCN(c2cccc(C(=O)N3CCCC3)n2)CC1=O 1875290555 OZQNSESZYSFWAE-UHFFFAOYSA-N 288.351 0.596 0 50 CCAA CN(C)C/C=C/C(=O)NC1(C2=NCCCN2C)CCC1 1875377263 WORKXVQQSYJIKJ-QPJJXVBHSA-N 278.400 0.877 0 50 CCAA N[C@]1(CC(=O)N2CCCCCCC2)CCS(=O)(=O)C1 1875339139 AQBQOJDCUSMWGN-ZDUSSCGKSA-N 288.413 0.685 0 50 CCAA C[C@@H](N)C(=O)N1Cc2cccnc2N2CCC[C@H]2C1 877266811 UABTUAMCVUYRGD-PWSUYJOCSA-N 260.341 0.740 0 50 CCAA Cn1ccc(CN2CCC[C@](O)(Cc3nncn3C)C2)c1 886088935 RKTYVZFASLQFFD-HNNXBMFYSA-N 289.383 0.723 0 50 CCAA C[C@H](Cn1cccn1)N[C@@H]1CN(C)C[C@H]1c1cncn1C 1775959917 GUAUJDHRKOTJFQ-MGPQQGTHSA-N 288.399 0.693 0 50 CCAA CON1CCC(CC(=O)N[C@H](C)c2nn(C)cc2O)CC1 1363667062 OPJDRTZOIKIZNE-SNVBAGLBSA-N 296.371 0.966 0 50 CCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1cnc(O)c(Cl)c1 1565526414 HVPUJVVBNXPPRK-WPRPVWTQSA-N 295.726 0.991 0 50 CCAA CC[C@H]1CC[C@@H](C(=O)NCc2cnc(C)nc2N)O1 390832735 SYMRAOBBNUPAMG-QWRGUYRKSA-N 264.329 0.941 0 50 CCAA Cc1nn(C)c(C)c1CCCN1C(=O)N[C@H](C)C1=O 170068374 RQIVJEWINJTLCU-SECBINFHSA-N 264.329 0.910 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1cc(C(C)C)nn1C 170051444 XSSYGMKIARTHCZ-JQWIXIFHSA-N 266.345 0.260 0 50 CCAA CSC1(C(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)CCC1 600829579 KXHBLOYSZRVSEE-NXEZZACHSA-N 282.369 0.308 0 50 CCAA CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)C[C@@H]1CCCO1 407990053 MVCHVNQNHREPJY-SRVKXCTJSA-N 283.372 0.864 0 50 CCAA CN1CCC[C@H]1CN(C)[C@@H]1CCCCN(CC(=O)O)C1=O 643875917 FDWBMWXFCVDLLA-QWHCGFSZSA-N 297.399 0.478 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc[nH]c1 644058955 OGJYFAAEKQUMKE-GFCCVEGCSA-N 251.286 0.121 0 50 CCAA CC(=O)N1CC[C@@](C)(C(=O)N2CC(OC(F)F)C2)C1 576217703 XQPIBAAEIIUFOZ-GFCCVEGCSA-N 276.283 0.695 0 50 CCAA C[C@H](O)CNCCNCc1ccc2c(c1)OCO2 19871956 FZENBSMNBQICHV-JTQLQIEISA-N 252.314 0.475 0 50 CCAA CC[C@H](CNc1nccnc1N(C)C)N1CCN(C)CC1 1529195908 QCGBRWWLXDEZHB-CYBMUJFWSA-N 292.431 0.981 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3ncc(C)[nH]3)C[C@H]2O)n[nH]1 1529119169 CIVFYJWHYOXHHG-DGCLKSJQSA-N 275.356 0.785 0 50 CCAA C[C@H]1CC[C@@H](CCC(=O)N(CCN(C)C)CC(=O)O)O1 237607804 CMPVSBJBQYHUIJ-RYUDHWBXSA-N 286.372 0.809 0 50 CCAA Cn1nncc1C(=O)N1CCC[C@@H](OCC2CC2)C1 253395946 WEZZKXHEVDXULQ-LLVKDONJSA-N 264.329 0.846 0 50 CCAA CC(C)(C)c1nc(CN2CC[C@@H](CO)[C@@H](O)C2)no1 571869591 KICNYSCFRYEOQT-UWVGGRQHSA-N 269.345 0.542 0 50 CCAA O=C1C[C@@H]2CN(C(=O)c3ccc(F)c(O)c3)C[C@@H]2CN1 1800411098 FIDKACMGWXRFKS-ZJUUUORDSA-N 278.283 0.739 0 50 CCAA COc1cccn2ncc(C(=O)NC3CC4(C3)C[C@H]4N)c12 1615545034 DCLJQDXDYWRWGJ-YAKODHLKSA-N 286.335 0.953 0 50 CCAA Cc1cc(C[C@@H]2CN(CCC(=O)O)C[C@H]2O)on1 1772705824 RUTNFIMGRGLBMA-MWLCHTKSSA-N 254.286 0.293 0 50 CCAA C1COCCOCCOCCOCCOCCO1 3861356 XEZNGIUYQVAUSS-UHFFFAOYSA-N 264.318 0.100 0 50 CCAA in-vitro Cc1nnc(CN(C)C(=O)[C@@H]2CCc3ncnn3C2)o1 1857695627 RMEGJXSFUBUGKR-SECBINFHSA-N 276.300 0.191 0 50 CCAA NC[C@@H](C(=O)Nc1ccn([C@H]2CCNC2)n1)c1ccccc1 328617701 DACIBSUPVXHXLT-UONOGXRCSA-N 299.378 1.099 0 50 CCAA O=C(c1cnn2ccncc12)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 328599301 BWJKFXVWYUQJES-XXBVRILMSA-N 284.319 0.571 0 50 CCAA Cc1nnc(COC2CN(C(=O)[C@]3(C)CCCOC3)C2)o1 644216612 WUELHVIZEJVBCP-CQSZACIVSA-N 295.339 0.922 0 50 CCAA COCc1cc(CNC(=O)[C@H]2COCCN2)ccc1F 237196716 VTLVYQGJVUFDGK-CYBMUJFWSA-N 282.315 0.577 0 50 CCAA COc1cc(CN2CCN(c3n[nH]c(C)n3)CC2)ccn1 931626719 ILDKRMWDUZMWNQ-UHFFFAOYSA-N 288.355 0.839 0 50 CCAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCCC1 100623584 OAEWNMZGCXRUSP-UKJIMTQDSA-N 276.336 0.640 0 50 CCAA Cc1noc(C)c1CCC(=O)NC1(C(=O)O)CC1 203656245 ASGBCQRZJNGSJX-UHFFFAOYSA-N 252.270 0.957 0 50 CCAA NC(=O)[C@]1(O)CCCN(CCOc2ccc(F)cc2)C1 225481418 COFHVVCABDKEFA-AWEZNQCLSA-N 282.315 0.517 0 50 CCAA CC(C)n1ccc(C(=O)N2CCOC[C@H]2CC(=O)O)n1 263306961 ONXKVJUCMCPROY-SNVBAGLBSA-N 281.312 0.780 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)C[C@H]1CCCNCC1 299752262 TUKDCJSIKGTWPE-NSHDSACASA-N 267.373 0.503 0 50 CCAA O=C(NCCN1CCCOC1=O)[C@H]1CC12CCNCC2 534667641 AQQCXYRKMTYEBG-LLVKDONJSA-N 281.356 0.335 0 50 CCAA CCn1nnn(Cc2nc(C(C)(F)F)no2)c1=O 2325783724 WTSMLBTVMNTJNE-UHFFFAOYSA-N 260.204 0.003 0 50 CCAA Cc1nnsc1CNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 384090709 BVKUZECSTXXMKM-JGVFFNPUSA-N 269.326 0.964 0 50 CCAA Cc1cc2c(cc1S(=O)(=O)NC1CC1)NC(=O)CO2 4520590 HUTCGSFKNUAXPT-UHFFFAOYSA-N 282.321 0.767 0 50 CCAA Cc1nsc(N2C[C@H]3COC[C@@H]2CN(C)C3)n1 2356155419 GGRHTDUIHJPHSX-UWVGGRQHSA-N 254.359 0.613 0 50 CCAA OC[C@@H]1O[C@H](n2cnc3c(=S)[nH]cnc32)C[C@@H]1O 4557040 WACLJMMBCDNRJE-ACZMJKKPSA-N 268.298 0.130 0 50 CCAA CCOc1ccc(C(=O)NN2CCN(C)CC2)cc1 4719207 SZLGJUAZQOLHSK-UHFFFAOYSA-N 263.341 0.978 0 50 CCAA O=S(=O)(C[C@@H]1CCCCO1)N1CCN2CCC[C@H]2C1 247502963 OCBUOGQLULCQLH-STQMWFEESA-N 288.413 0.665 0 50 CCAA CCn1c(C2CCNCC2)nn(C[C@@H]2CCCO2)c1=O 65435824 GJLLGCGSQGCRSY-LBPRGKRZSA-N 280.372 0.711 0 50 CCAA O=C(NC[C@H](O)c1ccccc1Cl)[C@H]1CNCCO1 151447962 DQXGSVPTYVVZMO-NWDGAFQWSA-N 284.743 0.478 0 50 CCAA Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)nc(C)n1 408193844 FLLWKJKZADTCFD-LBPRGKRZSA-N 283.353 0.400 0 50 CCAA CCCn1nc(C)c(CNC(=O)[C@@H]2COCCO2)c1C 67804485 XCNHJDALGDOGAD-ZDUSSCGKSA-N 281.356 0.942 0 50 CCAA CC1(C)NC(=O)N(CCCn2nnnc2C(C)(C)C)C1=O 153101685 UFVOXLUMFOCTTR-UHFFFAOYSA-N 294.359 0.691 0 50 CCAA COCCS(=O)(=O)NC[C@@H]1CCn2ccnc2C1 328623428 JDPRVYGBLFVALC-SNVBAGLBSA-N 273.358 0.011 0 50 CCAA CCN1CC[C@H]2OCCN(C(=O)[C@]3(OC)CCOC3)[C@H]2C1 329556784 QJBUXTLWBZHXAV-GUTXKFCHSA-N 298.383 0.114 0 50 CCAA NC(=O)[C@H]1c2ccccc2CCN1C(=O)CCc1cnc[nH]1 369133883 IDHQWALHXAXQMM-OAHLLOKOSA-N 298.346 0.954 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[C@@H](C(=O)O)C1 261899811 UYAAWOHFAGTJQT-HBNTYKKESA-N 271.313 0.504 0 50 CCAA CCOC(=O)N1CCC(NC[C@@H]2CCNC[C@H]2O)CC1 72128934 ZDINPJPGDOQGBL-WCQYABFASA-N 285.388 0.167 0 50 CCAA Cn1ccnc1-c1ccc(NCCN2CCOCC2)nn1 71405584 DCZOQTLGSRUSPC-UHFFFAOYSA-N 288.355 0.621 0 50 CCAA COCCc1nc(CNC(=O)Cc2cccc(O)c2)no1 219403492 TZCCJRRNLLLRSF-UHFFFAOYSA-N 291.307 0.823 0 50 CCAA CC[C@@H](NC(=O)Cn1nc(C)cc1N)[C@H]1C[C@@H](O)C1 223277030 OWTYLGPRHYBRHM-GMTAPVOTSA-N 266.345 0.439 0 50 CCAA CNC(=O)c1cccc(C(=O)N(C)[C@@H]2CCNC2)c1 179125492 KWWRTJYFAUCKOC-GFCCVEGCSA-N 261.325 0.480 0 50 CCAA CN1CCN(CCC(=O)NC(N)=O)[C@H](c2ccccc2)C1 291441009 KMVKIDMNGCBLEZ-ZDUSSCGKSA-N 290.367 0.560 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CCCO[C@H](C)C2)[nH]1 426369466 ZAXDBZMHRHEEJO-SNVBAGLBSA-N 250.298 0.934 0 50 CCAA O=C1NCCCc2[nH]c(-c3nnc4n3CCC4)nc21 95389425 URZXZAJWYAWSND-UHFFFAOYSA-N 258.285 0.290 0 50 CCAA COc1cccc([C@H]2CCN2C(=O)CN2CCNC2=O)c1 95502955 VMJWUFMGVAOOBD-CYBMUJFWSA-N 289.335 0.994 0 50 CCAA O=C(O)[C@]12COc3ccccc3[C@H]1CN(CCO)C2 95506388 DPADFZIXVHGYQA-BXUZGUMPSA-N 263.293 0.542 0 50 CCAA C[C@H](Cc1cnccn1)NC(=O)CCCN1CCCC1=O 244690926 IZLOFEXLNPQDRQ-GFCCVEGCSA-N 290.367 0.926 0 50 CCAA COC(C)(C)CNC(=O)N(C)CCc1noc(C)n1 345071100 PKDOPYMCAXAYMX-UHFFFAOYSA-N 270.333 0.987 0 50 CCAA O=C(Cn1cccnc1=O)NCC[C@@H]1CCCOC1 529603952 XEFBHGKRNLWJLR-NSHDSACASA-N 265.313 0.176 0 50 CCAA NC(=O)c1cccnc1N[C@H]1COC[C@@H]1N1CCCC1 534585542 WTWSQFANPVXFIT-RYUDHWBXSA-N 276.340 0.456 0 50 CCAA O=C(NC[C@@H]1CNCCO1)c1cccc(-c2ncc[nH]2)c1 534658057 GLMBXYWEPVFVJI-ZDUSSCGKSA-N 286.335 0.795 0 50 CCAA COc1cccc(C(=O)N[C@H]2CCOC2)c1OCCCN 299800866 SWJAPAIQEDGJSK-NSHDSACASA-N 294.351 0.942 0 50 CCAA Cc1csc(CCCNC(=O)c2ccc(=O)n(C)n2)n1 299757848 CJOWEVZKSQERRV-UHFFFAOYSA-N 292.364 0.908 0 50 CCAA CC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)O)C2 299771016 QYDNRJASLXXQCY-RXMQYKEDSA-N 254.267 0.931 0 50 CCAA Cc1cccc(OC[C@H](O)CNC(=O)[C@H]2C[C@@H]2C(=O)O)c1 268915716 QAOGCIUYQDHHRP-WXHSDQCUSA-N 293.319 0.572 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)c1cnc(NC)nc1 584888875 VSFIQKGAHCMTKZ-NSHDSACASA-N 274.328 0.923 0 50 CCAA CN(C)C(=O)N1CCC(C(=O)N(C)C[C@H]2CCOC2)CC1 584901184 JJVMHBKCSYTVNO-GFCCVEGCSA-N 297.399 0.875 0 50 CCAA COCC[C@@H]1CN(C(=O)c2c(C)ncnc2C)CCO1 584888023 DWUCENBWSNWSKA-GFCCVEGCSA-N 279.340 0.971 0 50 CCAA CCc1nccn1CCC(=O)NCc1nonc1C 584903451 VHGIWYFRPMEYNJ-UHFFFAOYSA-N 263.301 0.843 0 50 CCAA CSCC(=O)NCC[C@H]1CCCCN1S(C)(=O)=O 670445120 BBINSGXMOTYOBM-SNVBAGLBSA-N 294.442 0.670 0 50 CCAA CCCc1nc(C(=O)N2C[C@@H]3C[C@H]2C(=O)N3)cs1 1857701086 PEWJBOFYPNSCOQ-CBAPKCEASA-N 265.338 0.809 0 50 CCAA CCOc1cc(C(=O)N=c2cc3n([nH]2)CCC3)on1 1875274744 XQQFICHKKQWTSO-UHFFFAOYSA-N 262.269 0.890 0 50 CCAA O=C(O)c1ccc(C(=O)N2C[C@@H](O)C[C@H]2CO)c(Cl)c1 1875277621 UZQBAOUGZKOADP-IUCAKERBSA-N 299.710 0.606 0 50 CCAA Cc1nc(C[C@@H]2NC(=O)NC2=O)n(C(C)(C)C)n1 952860524 PSFLMELSUUGHSG-ZETCQYMHSA-N 251.290 0.092 0 50 CCAA Cc1nnsc1CNC(=O)CN(C)Cc1cccnc1 952872581 RQGMYTHTWSGWSY-UHFFFAOYSA-N 291.380 0.990 0 50 CCAA C[C@H](CN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O)CS(C)(=O)=O 249363413 AIOYZAMMXMJFFF-USTYEKHQSA-N 273.398 0.368 0 50 CCAA C[C@@H]1C[C@H](C(=O)Nc2ncc(C(N)=O)s2)CCO1 170592004 DRQBRSFLQIEDCS-RNFRBKRXSA-N 269.326 0.996 0 50 CCAA CC[S@@](=O)CC(=O)OCC(=O)OC(C)(C)C 170616563 OPXQRKYCJMGUMI-MRXNPFEDSA-N 250.316 0.640 0 50 CCAA CCSC1(CNC(=O)[C@@H]2CN3CCCN2CC3)CC1 598331330 VFODBUWYVNNUMJ-LBPRGKRZSA-N 283.441 0.778 0 50 CCAA CO[C@H]1COCC[C@@H]1NS(=O)(=O)N1CCCCC1 1506422327 RPVXXSICGKLIEA-QWRGUYRKSA-N 278.374 0.111 0 50 CCAA CN(C[C@@H]1CCCN1C)c1cc2nncn2c(N)n1 1506418471 RSEPYCVKFVAFHC-VIFPVBQESA-N 261.333 0.237 0 50 CCAA CC(C)CN1CCN(c2cncc(C(=O)O)n2)[C@@H](C)C1=O 1529089982 DHWCOAPXOUBKFD-JTQLQIEISA-N 292.339 0.868 0 50 CCAA O=C(O)[C@@H]1CN(c2nnc(C(F)(F)F)s2)CCO1 160247797 YAFZXZLMCOBHEO-BYPYZUCNSA-N 283.231 0.847 0 50 CCAA Cc1ncoc1CNC(=O)CNC(=O)c1cscn1 1614608398 ONTMOCDBGJNAGK-UHFFFAOYSA-N 280.309 0.486 0 50 CCAA CO[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H]1O 1615997457 FMIVWKNDFRKEPG-BQBZGAKWSA-N 263.219 0.691 0 50 CCAA O=C(O)c1cc(I)c[nH]c1=O 16698714 WIUHBFOGCTVLEH-UHFFFAOYSA-N 265.006 0.678 0 50 CCAA Cn1nnnc1SCCNS(=O)(=O)c1ccccc1 2336861 WYAKQZOYFJEQOL-UHFFFAOYSA-N 299.381 0.281 0 50 CCAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccoc3)C[C@@H]12 1857690844 OEYGCVCXHHPMEZ-TUAOUCFPSA-N 298.364 0.079 0 50 CCAA O=C(N[C@H]1COC2(CCNCC2)C1)c1cn[nH]c1 1857692017 KVZKUPJQUIZKCD-SNVBAGLBSA-N 250.302 0.051 0 50 CCAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O 556127 DOQDFWIQOVQQIL-LBPRGKRZSA-N 262.309 0.770 0 50 CCAA in-vitro Cc1nn(C(C)C)cc1CN1CC[C@@H]2OCC(=O)N[C@@H]2C1 253432015 WBMJXBLWTWODAB-KGLIPLIRSA-N 292.383 0.862 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1nc(N(C)C)no1 356406126 NBECAPAYKVQUMC-UWVGGRQHSA-N 282.344 0.957 0 50 CCAA COC(=O)c1cncc(N2CC[C@H](N(C)C)[C@@H]2C)n1 389222575 WXANPABNSPRDFV-ONGXEEELSA-N 264.329 0.792 0 50 CCAA CCc1nn(C)cc1S(=O)(=O)NCCc1cnoc1 907389530 RDTOBPAXXICNJO-UHFFFAOYSA-N 284.341 0.492 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)c1cccc(C(=O)O)c1 110672830 UYIKGWXVJAFRTD-UHFFFAOYSA-N 276.292 0.735 0 50 CCAA COC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 4008756 SAENSRHVXCAWNG-MRVPVSSYSA-N 251.238 0.116 0 50 CCAA C[C@@H]1CCN(Cc2nc(N)nc(N)n2)C[C@H](C)C1 127276194 QNEQIMMOVHRQSR-RKDXNWHRSA-N 250.350 0.904 0 50 CCAA O=C(O)Cc1ccc(CN2C[C@@H](CO)[C@H](CO)C2)cc1 670443541 MUPUTYXYOJOEAQ-KBPBESRZSA-N 279.336 0.346 0 50 CCAA CC[C@@H](NC(=O)c1ccc(C(N)=O)cc1)[C@H](C)O 387269688 LXULYNGBCHHVCG-GZMMTYOYSA-N 250.298 0.675 0 50 CCAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)C1CCCCC1 2325701383 FFIRZNCPZYFBBO-MWLCHTKSSA-N 266.341 0.777 0 50 CCAA C[C@H](C(N)=O)N1CCN(Cc2cccc(C(=O)O)c2)CC1 2325792046 YCYASDGOXOSJTJ-LLVKDONJSA-N 291.351 0.376 0 50 CCAA Cn1nccc1-c1c[nH]c(=NC2CCNCC2)cn1 2325796834 SFFBOEVBKAQIHY-UHFFFAOYSA-N 258.329 0.463 0 50 CCAA CN(c1ncnc2[nH]ccc12)[C@@H]1CCCS(=O)(=O)C1 2325799705 QVZKSTISERCOCN-SECBINFHSA-N 280.353 0.971 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)NC2CCCCC2)CN1C 65370549 DYJGWKYEIPJIFU-RYUDHWBXSA-N 283.372 0.864 0 50 CCAA O=C(NCCN1CCOCC1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 252673636 RGMFRPBHNMHHNZ-XUXIUFHCSA-N 279.384 0.759 0 50 CCAA CCc1nc(C)c(C(=O)NCC[C@@H]2CN(C)CCO2)o1 67654833 WPUUPSHJRXRRNV-LLVKDONJSA-N 281.356 0.996 0 50 CCAA O=C(CN1CCCCC1=O)N1CCC[C@@H](O)CC1 408177687 MGLOJZCTHOBUGB-LLVKDONJSA-N 254.330 0.372 0 50 CCAA COCc1nocc1C(=O)NCc1c(C)nn(C)c1OC 362624340 RSRFPWNRPSGOAN-UHFFFAOYSA-N 294.311 0.802 0 50 CCAA Cn1ccnc1SCCNC(=O)CCCn1cncn1 216531022 MMXUWFRTRKAYOD-UHFFFAOYSA-N 294.384 0.700 0 50 CCAA CC[C@]1(C)CC(=O)N(CC2CCS(=O)(=O)CC2)C1=O 329513768 LODCJNKNKOBQET-CYBMUJFWSA-N 287.381 0.986 0 50 CCAA CCOCCN1CCC([C@@H](O)C(=O)NC2CC2)CC1 434714152 NROKYDFJKIJGMA-CYBMUJFWSA-N 270.373 0.374 0 50 CCAA CS(=O)(=O)Nc1ccccc1N1CCNCC1 36533245 WFCKCCMSOSMREH-UHFFFAOYSA-N 255.343 0.468 0 50 CCAA COc1ccc(CNC(=O)N2C[C@H]3CC[C@H]2CN3)nc1 333778362 DJBNUZWVHURCMV-NEPJUHHUSA-N 276.340 0.736 0 50 CCAA NC(=O)[C@]1(O)CCCN(CCCC2CCOCC2)C1 375529086 YJMSKPNOLHKYKD-AWEZNQCLSA-N 270.373 0.505 0 50 CCAA CC[C@@]1(O)CCCN(c2ccnc(C(=O)NCCO)c2)C1 72133399 QMKFTVBWKZREMX-OAHLLOKOSA-N 293.367 0.545 0 50 CCAA Cn1ncc(CN2c3ccccc3C[C@H]2C(N)=O)n1 377847191 KIFBXNJLFDFCAO-LBPRGKRZSA-N 257.297 0.232 0 50 CCAA CC(C)N(CC(=O)O)C(=O)[C@@H]1CCN(C)C(=O)C1 178069620 UHBBXCQCUUYYBD-SECBINFHSA-N 256.302 0.176 0 50 CCAA CN(C)C(=O)CSc1nnc([C@@H]2CCCNC2)n1C 426519182 DZHQJIBVUJAOQO-SECBINFHSA-N 283.401 0.462 0 50 CCAA CCc1cc(C(=O)NCc2cnc(C)cn2)cc(=O)[nH]1 97602216 HRBVXRVQSOEPPA-UHFFFAOYSA-N 272.308 0.966 0 50 CCAA CCc1nn(C)c(CC)c1CN1CC(=O)N[C@H](C)C1 295102984 VDXWCNUXJOLBKV-SNVBAGLBSA-N 264.373 0.865 0 50 CCAA COc1c[nH]c(C(=O)NCCc2ccccn2)cc1=O 524732945 DTUWNXJRXNIZQO-UHFFFAOYSA-N 273.292 0.751 0 50 CCAA Cc1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)ncn1 539605788 HWUXECUDZZQBMJ-NSHDSACASA-N 293.323 0.881 0 50 CCAA NC(=O)c1cccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)n1 542881340 DXTQFTZICHXWPD-GFCCVEGCSA-N 298.302 0.137 0 50 CCAA C[C@@H]1CC[C@H](CCC(=O)N2CCOC[C@@H]2C(=O)O)O1 299753264 XNYGHQIEDDPLFG-GMTAPVOTSA-N 271.313 0.646 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2Cc1nncn1-c1ccccc1 299745357 YHYGHAVDEYKHKA-ZIAGYGMSSA-N 297.362 0.978 0 50 CCAA CN(C[C@H]1COCCO1)C(=O)NCc1cscn1 534658844 WJUUKTHFKQLNDE-JTQLQIEISA-N 271.342 0.700 0 50 CCAA C[C@H](NC(=O)N(CCO)Cc1ccco1)C(=O)N(C)C 534649992 FSGBAPVIGKJLTB-JTQLQIEISA-N 283.328 0.260 0 50 CCAA CC(C)Cc1cc(CNC(=O)[C@@H]2CNCCO2)on1 534577174 HYXSKMOCHXZTBL-LBPRGKRZSA-N 267.329 0.478 0 50 CCAA Cc1cc(C)c(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c(O)n1 493312453 NEXKNPKPWINENQ-JTQLQIEISA-N 291.307 0.681 0 50 CCAA CNc1ncccc1C(=O)NCCc1nc(C)cc(O)n1 584901024 XRKMOOJXEWVAGH-UHFFFAOYSA-N 287.323 0.900 0 50 CCAA O=C(NCCCN1CCC[C@@H](CO)C1)c1cccc(O)n1 828711212 RDKJYRZOJJKNGR-GFCCVEGCSA-N 293.367 0.611 0 50 CCAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cnnn1 670436119 GHFLGILLESZZPC-URLYPYJESA-N 265.317 0.232 0 50 CCAA C[C@H](C(=O)NCCN1C[C@@H]2CC[C@H](C1)O2)c1cnn(C)c1 1550811837 NZIZJUJOQAVYHN-FPMFFAJLSA-N 292.383 0.503 0 50 CCAA CC[C@H]1C[C@@H](C(=O)N2CCCc3n[nH]cc3C2)CC(=O)N1 952892708 PLFBAOWPUAGKEA-PWSUYJOCSA-N 290.367 0.989 0 50 CCAA Cc1nc(C(=O)NCCN(C)S(C)(=O)=O)cs1 952974937 CQFWHUPOPIDPEE-UHFFFAOYSA-N 277.371 0.073 0 50 CCAA Cc1conc1C(=O)N[C@@H]1CCC(=O)NC12CCC2 888097510 JVYXPQBTAMKCBN-SECBINFHSA-N 263.297 0.914 0 50 CCAA O=C1NC[C@H](O)CC12CCN(c1ncncc1Cl)CC2 896336022 XEGNKJXUQBGJEV-SECBINFHSA-N 296.758 0.597 0 50 CCAA C[C@H]1CN(Cc2cn(-c3cnnn3C)nn2)C[C@@H](C)O1 899725491 WLOXUETWMGUTRV-AOOOYVTPSA-N 277.332 0.005 0 50 CCAA O=C(O)[C@H]1CC[C@@H](C(=O)N(CCO)Cc2nccs2)C1 1565527978 XEDOMQUXBAVPDA-ZJUUUORDSA-N 298.364 0.965 0 50 CCAA COC(=O)C[C@H](NC(C)=O)C(=O)N(C)c1ccsc1 585127422 ZYNACRIRZTXAFQ-JTQLQIEISA-N 284.337 0.779 0 50 CCAA CCc1cc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)cc(O)n1 1073266147 OAUVTWBYWZVAHP-RISCZKNCSA-N 280.324 0.307 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CCN1 188387228 DNDHECRJTRHIOP-HLTSFMKQSA-N 293.289 0.264 0 50 CCAA Cc1cnc(CN2CCC[C@@H](S(N)(=O)=O)C2)cn1 408196523 CZSFTGDMNKOHLR-LLVKDONJSA-N 270.358 0.038 0 50 CCAA CC(C)N(C)C(=O)[C@@H](C)N1CCn2c(O)nnc2C1 408309281 LLNDWTXMGJOBJU-SECBINFHSA-N 267.333 0.055 0 50 CCAA CN(CCN1CCCC1)C(=O)[C@@H]1CCCN1C(N)=O 408302179 FFLIBBGSDJRBSI-NSHDSACASA-N 268.361 0.084 0 50 CCAA C[C@H](NC(=O)[C@H]1CCCc2cccnc21)c1nnnn1C 225509320 BZKYIXIEPBSAAD-ONGXEEELSA-N 286.339 0.902 0 50 CCAA C[C@H]1CCN(C(=O)NCCN2CCOCC2(C)C)[C@@H]1CO 190506850 IQHHMQXKGQQRIP-QWHCGFSZSA-N 299.415 0.510 0 50 CCAA COc1cccc2c1CCN(S(N)(=O)=O)CC2 192584800 QAYCLHFTUBSFCY-UHFFFAOYSA-N 256.327 0.299 0 50 CCAA CS(=O)(=O)CCn1nnnc1CCCc1ccccc1 193433275 AIETWJQRHNPHKO-UHFFFAOYSA-N 294.380 0.893 0 50 CCAA COC[C@H]1CCCN1C(=O)c1[nH]cnc1C(=O)O 97632059 ZWXDIAUHPMWAAP-SSDOTTSWSA-N 253.258 0.359 0 50 CCAA CCn1ccnc1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529186567 IDMMREBJQKFDQF-TZMCWYRMSA-N 287.367 0.728 0 50 CCAA COCCN1CCC[C@@H](CN(C)c2cncc(N)n2)C1 1857677508 FKHMOIPVTZCZKK-LBPRGKRZSA-N 279.388 0.853 0 50 CCAA Cc1nnc(N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)s1 1857689395 CHGZLPKGXBDULT-JOYOIKCWSA-N 282.369 0.314 0 50 CCAA C[C@](O)(CO)CNC(=O)[C@@H]1CCCC(F)(F)C1 302342174 FCNTUBVZWXNIER-PSASIEDQSA-N 251.273 0.671 0 50 CCAA CCOC(=O)c1cc(S(N)(=O)=O)ccc1OC 2244033 ZQSFLXDMGBSJKV-UHFFFAOYSA-N 259.283 0.519 0 50 CCAA in-vitro Cc1nsnc1C(=O)N1CCc2c(O)ncnc2C1 1800414531 SDUHBXRIAJSCBJ-UHFFFAOYSA-N 277.309 0.541 0 50 CCAA CS(=O)(=O)N1CC[C@@H](CNC(=O)c2cncs2)C1 407977612 SHTDDTDPNPXMGL-QMMMGPOBSA-N 289.382 0.154 0 50 CCAA CCc1ncnc(N2CC[C@@H](O)[C@@H](C(=O)O)C2)c1F 1704336073 FXAWASDMHBAOLF-IONNQARKSA-N 269.276 0.450 0 50 CCAA C=CS(=O)(=O)CCN1CCn2c(nnc2C(C)(C)C)C1 1615546775 BZZZHRWZTBVPNO-UHFFFAOYSA-N 298.412 0.950 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)NCC1(N)CCC1 1615616016 WRBNTQWHBZVZSW-MRXNPFEDSA-N 289.379 0.793 0 50 CCAA Cc1ncsc1CN1C[C@H]2[C@H](C1)C2(CO)CO 1772807431 VZEPRPHTASYEGO-UWVGGRQHSA-N 254.355 0.484 0 50 CCAA COc1ccc(OC)c(NC(=O)C(=O)NCCCO)c1 2900294 GUBPETXLBOXRHV-UHFFFAOYSA-N 282.296 0.141 0 50 CCAA Cc1nc2c([nH]1)CN(C[C@@H](O)C1CCNCC1)CC2 1857670479 PEMZTGNYWCOGKN-CQSZACIVSA-N 264.373 0.437 0 50 CCAA Cc1ocnc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857725174 LNSUFKJCZPRODE-RWMBFGLXSA-N 291.351 0.965 0 50 CCAA O=C1CCOC2(CCN(C[C@H]3C[C@@H]4CC[C@H]3O4)CC2)CN1 1857732487 SMBFVLFJHGEDJW-HZSPNIEDSA-N 294.395 0.925 0 50 CCAA C[C@@H]1CN2C[C@H](NC(=O)c3cncn3C)C[C@H]2CO1 1857737178 AADGEHKHFQFPFE-MXWKQRLJSA-N 264.329 0.012 0 50 CCAA O=C(NCc1nnnn1C1CC1)N1CCO[C@@H](C2CC2)C1 681607253 PZVNDIGHWICBOV-LLVKDONJSA-N 292.343 0.328 0 50 CCAA Cc1ccn(CCC(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)n1 1704335616 PHPLYLUFBIPJQS-KBPBESRZSA-N 292.383 0.371 0 50 CCAA Cc1nn[nH]c1C(=O)N1CC[C@@](CO)(c2ccccc2)C1 812734170 FRXRJSHCEYSPNU-OAHLLOKOSA-N 286.335 0.889 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 169029 QSNFIHUMOVLUQU-QWRGUYRKSA-N 267.256 0.574 0 50 CCAA CCc1cccc(S(=O)(=O)NC[C@@](C)(O)C(=O)O)c1 263488821 NTQPFMIIBLHXDC-GFCCVEGCSA-N 287.337 0.363 0 50 CCAA O=C1CC[C@@H](Nc2ncc3ccccc3n2)C(=O)N1 165721198 WKIBKVUCDPWYDM-SNVBAGLBSA-N 256.265 0.847 0 50 CCAA COCc1nc(CSc2nnc(CN)n2C)no1 534591369 WAFCAUSIPMZWGX-UHFFFAOYSA-N 270.318 0.096 0 50 CCAA C[C@@H](NC(=O)c1cnc(N)s1)c1cnn(C)c1 584887357 OETJLMVLHXZOJY-ZCFIWIBFSA-N 251.315 0.950 0 50 CCAA Cc1nc([C@@H](C)NS(=O)(=O)c2c(C)n[nH]c2C)n[nH]1 392668257 ZEQSHFBDRPPXCF-SSDOTTSWSA-N 284.345 0.493 0 50 CCAA C[C@@H](O)[C@H](N)C(=O)Nc1cccc(-n2cccn2)c1 952975150 WKRWHYLQPAUIOP-SKDRFNHKSA-N 260.297 0.519 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C2CC2)C[C@@H]1C 402764965 FJQXJUSIIFWDQJ-VIFPVBQESA-N 298.412 0.884 0 50 CCAA Cc1cc(NC(=O)C(=O)NC[C@]2(CO)CC2(C)C)n(C)n1 2325776109 NFBBGWGLIKQEKI-AWEZNQCLSA-N 294.355 0.192 0 50 CCAA CC(C)n1ncc(C(=O)N2[C@H](C)SC[C@H]2C(=O)O)n1 2325820566 AVSWGAGFOYBGBB-CBAPKCEASA-N 284.341 0.847 0 50 CCAA Cc1nsc(C(=O)NC[C@@H]2CCN2C2CCOCC2)n1 902980800 SRLNMENPYMGYEB-NSHDSACASA-N 296.396 0.830 0 50 CCAA COC(=O)C[C@H]1C(=O)NCCN1C(=O)NC1CCCCC1 118886 IQSHTNWJFNAZED-NSHDSACASA-N 297.355 0.392 0 50 CCAA O=C1N[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 103866065 XYDSJAMKIWEAES-BJDJZHNGSA-N 268.272 0.477 0 50 CCAA C[C@](NC(=O)Cc1cc[nH]n1)(C(N)=O)c1ccccc1 345756453 BJFZYTVAEYQFSV-CQSZACIVSA-N 272.308 0.469 0 50 CCAA C[C@@H](Cc1ccccn1)N(C)C(=O)CN1CC(=O)NC1=O 20516008 BVGIXGHCBGNJDI-JTQLQIEISA-N 290.323 0.023 0 50 CCAA O=C(Cc1ccc(Cl)cc1)Nc1c[nH]c(=O)[nH]c1=O 184784 MYNCVJFEKJEPEP-UHFFFAOYSA-N 279.683 0.898 0 50 CCAA CN(Cc1cccs1)C(=O)[C@H]1C[C@@H](N)[C@H](O)C1 1875243268 YXXCNXMLAZAUOT-JMJZKYOTSA-N 254.355 0.805 0 50 CCAA Cn1c(CN2CC[C@]3(C2)NC(=O)NC3=O)nc2ccccc21 370183854 MRICSVVQNHKHCE-OAHLLOKOSA-N 299.334 0.357 0 50 CCAA CN1C[C@@H](NC(=O)c2ccc(C(=O)O)s2)CC1=O 261588280 VNKXTKWVEJMCEB-LURJTMIESA-N 268.294 0.407 0 50 CCAA CCN1C[C@H](C(=O)N2CCC3(CCOC3=O)CC2)CC1=O 371154065 DBPWUDRKPUGEJG-LLVKDONJSA-N 294.351 0.411 0 50 CCAA O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1cn[nH]c1 215834690 SJYKHWAFDJAZDD-LLVKDONJSA-N 286.339 0.846 0 50 CCAA Cc1ccc(O)c(NC(=O)[C@]2(C)CCCNC2=O)n1 373786044 GKBRLNWCUVIMJO-CYBMUJFWSA-N 263.297 0.950 0 50 CCAA C[C@@]1(NS(=O)(=O)c2cc(Cl)cnc2N)CCOC1 158458958 VIDUASVGKDCUKT-SNVBAGLBSA-N 291.760 0.775 0 50 CCAA CC[C@@H](C(=O)O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 236982782 APZAZQJXQOQSOY-PWSUYJOCSA-N 283.372 0.134 0 50 CCAA CCC(=O)N1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)C1 333342039 YHZCRPBLSWSFST-JTQLQIEISA-N 276.340 0.553 0 50 CCAA CCN1C[C@@H](NC(=O)NCC2=CCCOC2)CC1=O 333468864 FQNLXZKDNBXXIR-NSHDSACASA-N 267.329 0.253 0 50 CCAA O=C(C[C@H]1COCCN1)N1CCNC[C@@H]1c1ccccc1 333616843 RENIAIGZPDUPOD-LSDHHAIUSA-N 289.379 0.538 0 50 CCAA Cc1cc(=O)n(CC(=O)N[C@H](CC(=O)O)C(C)C)nc1C 219915677 CHPRSWFQKASUNK-LLVKDONJSA-N 295.339 0.476 0 50 CCAA Cn1cc2ncn([C@@H](c3nccn3C)C3CC3)c(=O)c2n1 72151753 BOXAEWCPGSSTIG-GFCCVEGCSA-N 284.323 0.863 0 50 CCAA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1cnco1 223207202 FALFRARTRXTGEU-MNOVXSKESA-N 266.297 0.989 0 50 CCAA OCCNc1cc(-c2ccc3c(c2)OCO3)ncn1 426746050 CVQRTVCTDXJWNE-UHFFFAOYSA-N 259.265 1.277 0 50 CCAA Cc1ccc(-c2noc(CCN(C)S(C)(=O)=O)n2)nn1 95528291 GNBQRDNCAWGKIB-UHFFFAOYSA-N 297.340 0.269 0 50 CCAA CCCn1ncc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1C 91943657 YNWAMUOBMODDPR-NSHDSACASA-N 299.396 0.766 0 50 CCAA C[C@@H]1CN(c2ccc3nnc(C(C)(C)C)n3n2)CC(=O)N1 295755590 OHSSNEOOIFNWKH-SECBINFHSA-N 288.355 0.747 0 50 CCAA Cc1ncc(CN2CCC3(CC2)C[C@H](O)CO3)[nH]1 97773074 NLZKMUXFNCGINZ-LBPRGKRZSA-N 251.330 0.834 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)C[C@H]1CN(C)CCN1C 244647032 GTVSGXVYKPXFNS-ZDUSSCGKSA-N 294.399 0.886 0 50 CCAA O=C([C@@H]1C[C@@H](F)CN1c1ncccc1F)N1CCOCC1 299740795 BUVMDJBTOCKZRI-PWSUYJOCSA-N 297.305 0.996 0 50 CCAA C[C@@H]1CCCN(C(=O)c2cccn(C)c2=O)[C@H]1CN 299740424 ZQANFYLYJILWLC-PWSUYJOCSA-N 263.341 0.585 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)C(=O)O 299753641 YWESXPDCROPIJT-MRVPVSSYSA-N 274.342 0.135 0 50 CCAA COC(=O)[C@H]1[C@@H]2[C@H]3[C@H]4[C@H]([C@H]5[C@@H]([C@H]52)[C@@]34C)[C@H]1C(=O)OC 253596761 VUBLRNDLIUQCSP-ATJVONOFSA-N 262.305 0.953 0 50 CCAA CC(C)Cc1nc(CN(C)C(=O)[C@H]2C=CCN2)no1 534666913 MQFVGVHQOCGSSU-SNVBAGLBSA-N 264.329 0.755 0 50 CCAA COc1cc(F)c(C(=O)NCCc2nc(N)n[nH]2)c(F)c1 534651651 BROVAZXAOXXFMA-UHFFFAOYSA-N 297.265 0.646 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)c1csc(N)n1 584897054 ZSYMQGUVPBJTNC-MRVPVSSYSA-N 265.342 1.130 0 50 CCAA O=C(CCc1cccc(O)c1)NCC[C@@H](O)CO 584884414 HJTBFDVFKWAWQE-GFCCVEGCSA-N 253.298 0.184 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CN1CCCN(C)CC1 584885436 DYOPJCXAOYOEND-LLVKDONJSA-N 293.415 0.841 0 50 CCAA CC1=NO[C@@](C)(C(=O)N(C)CCn2ccnc2)C1 584901004 HATMFEWOWYFQDW-GFCCVEGCSA-N 250.302 0.896 0 50 CCAA NC(=O)c1cccnc1NC[C@@H]1CC(=O)N(C2CC2)C1 670435012 PINDLQPZEANDIM-VIFPVBQESA-N 274.324 0.603 0 50 CCAA C[C@@H](C(=O)NCCCn1ccccc1=O)N1CCCC1 670446002 SJEDMGRRNZHKFU-ZDUSSCGKSA-N 277.368 0.839 0 50 CCAA Cc1nn(C)cc1CN(C)c1cncc(C(N)=O)n1 670464479 VDLKTJRGCYSHLU-UHFFFAOYSA-N 260.301 0.254 0 50 CCAA CCn1cc(CNC(=O)[C@@H](F)C(F)(F)F)c(O)nc1=O 1548772316 REIHZRHDHMIWDV-ZCFIWIBFSA-N 297.208 0.485 0 50 CCAA Cc1nonc1CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 873282092 BNZXBPVIFUMDQM-VXGBXAGGSA-N 296.327 0.467 0 50 CCAA Cc1cnc(N2CCN([C@@]3(C(=O)O)CCOC3)CC2)nc1 952852866 ZWMRBHLYIOJFES-AWEZNQCLSA-N 292.339 0.151 0 50 CCAA CN1[C@H]2CC[C@@H]1CCN(c1nc(C(N)=O)cs1)C2 71268782 FPFBOASMLFIJPQ-BDAKNGLRSA-N 266.370 0.915 0 50 CCAA C[C@@H](C(N)=O)N1CCC(CNC(=O)C2CCOCC2)CC1 952979505 HDVJZXWMYOQZCQ-NSHDSACASA-N 297.399 0.115 0 50 CCAA OCCN1CCN([C@H]2CCN(c3ccccc3)C2)CC1 952972021 ZAQPENGJQYSKTM-INIZCTEOSA-N 275.396 0.875 0 50 CCAA COC1CC(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)C1 1775960326 FXTOMMJSISEANE-KMFOADKKSA-N 266.341 0.585 0 50 CCAA NS(=O)(=O)CCn1cc(-c2ccsc2)nn1 1776005585 KPLVJPAAEMRABI-UHFFFAOYSA-N 258.328 0.295 0 50 CCAA CCC1(O)CCN(C(=O)CCC(=O)N2CCOCC2)CC1 408231049 KLTCABHIVFYWLH-UHFFFAOYSA-N 298.383 0.389 0 50 CCAA CC(=O)NC[C@@H]1CN(Cc2ccn(C(C)C)n2)CCO1 172184287 VWZCDBKHNQRSIY-CQSZACIVSA-N 280.372 0.801 0 50 CCAA Cc1ccncc1CN1CC[C@@H](n2cc(C(N)=O)nn2)C1 643790185 UFXFCGDUJGDPRP-GFCCVEGCSA-N 286.339 0.527 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccc[nH]1 644058254 ZLFBNFFYRHRJDH-GFCCVEGCSA-N 251.286 0.121 0 50 CCAA Cc1cc(C)nc(N2CCC[C@@](O)(c3cnn[nH]3)C2)n1 793982449 XLUQKRYWUWVHGI-ZDUSSCGKSA-N 274.328 0.700 0 50 CCAA CC(C)=CCN1CCC(CNC(=O)[C@@H]2CNC(=O)C2)CC1 1506410988 YSTSQWRFHVLOAB-AWEZNQCLSA-N 293.411 0.917 0 50 CCAA O=C(O)CCN1CCC(CNC(=O)[C@@H]2CCCO2)CC1 1506414375 PATLLJMKXJPQIF-LBPRGKRZSA-N 284.356 0.468 0 50 CCAA Cn1cncc1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529180181 CJSWXBFVQCWCMH-CHWSQXEVSA-N 286.335 0.803 0 50 CCAA CC(=O)N1CC[C@@](C)(C(=O)Nc2cn(C)nc2C)C1 746856088 BOVYJFOCWCIUDU-CYBMUJFWSA-N 264.329 0.926 0 50 CCAA N[C@H]1CC12CC(NC(=O)c1ncc(Br)cn1)C2 1615591196 QSJABLGXPJVXJU-KAIZJQOQSA-N 297.156 0.849 0 50 CCAA CCCNC(=O)CN1C[C@H](N(C)C)C2(CCOCC2)C1 1615614951 KSBHIHVAHGTXFX-ZDUSSCGKSA-N 283.416 0.555 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)c2ncoc2C)CC[C@H]1O 1857712452 PBVFJHBMGZQVPH-RISCZKNCSA-N 282.340 0.969 0 50 CCAA NC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1 1569470 NHFBOIIKTDKSRE-JTQLQIEISA-N 280.280 0.632 0 50 CCAA in-vitro O=C1CN(C(=O)[C@H]2CCCN2c2ccccc2)CCN1 336105840 ZVFKVXRFERJIAO-CYBMUJFWSA-N 273.336 0.614 0 50 CCAA COc1ccccc1OC[C@H](O)CN1CCOCC1 19973530 BPTSETPBOXPPTB-GFCCVEGCSA-N 267.325 0.767 0 50 CCAA O=C(C[C@@H]1CCCCNC1=O)Nc1cnccc1CO 374257271 MAJPSLNQSXVHAG-JTQLQIEISA-N 277.324 0.819 0 50 CCAA Cc1nnsc1C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 1275672513 UDZPJTBSGWEZPI-NKWVEPMBSA-N 254.315 0.230 0 50 CCAA CC(C)(CO)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 907950749 YEXLJVGASFWPAZ-QCLAVDOMSA-N 255.314 0.620 0 50 CCAA Cc1ccccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)OCCN2C 128724560 XGCOUVSLXRMSOZ-QWHCGFSZSA-N 296.392 0.699 0 50 CCAA Cc1cc(C(=O)N2CCO[C@H]3CNC[C@H]32)ccc1F 585655438 AKQUBHDCFRXMFK-OLZOCXBDSA-N 264.300 0.947 0 50 CCAA Cc1csc(=O)n1CCn1cc(S(C)(=O)=O)cn1 901601899 SFMMXSDINMWKCU-UHFFFAOYSA-N 287.366 0.518 0 50 CCAA O=C(N[C@H]1C[C@H]2[C@H](O)[C@H](O)C[C@@H]12)c1ccn2ccccc12 2325786883 SOYZYSAQHNFSGK-AMVBZWJASA-N 286.331 0.799 0 50 CCAA CC(C)[C@@H]1C[C@]1(N)C(=O)N[C@@H]1COc2ccccc2[C@H]1O 2325849177 IBSDWPGFIXTVFM-KLZCAUPSSA-N 290.363 0.971 0 50 CCAA C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCC(C(N)=O)CC2)C1 9698344 CTGWQLJDINTDGC-VXGBXAGGSA-N 281.400 0.688 0 50 CCAA CN1C(=O)[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 100309600 CKMSWRIKDHFUHM-WUHRBBMRSA-N 282.299 0.819 0 50 CCAA COc1ncccc1NC(=O)N[C@@H](C)Cn1cncn1 60600973 TVZKBQYEZHTQBS-VIFPVBQESA-N 276.300 0.892 0 50 CCAA Cn1nc(C(=O)N2CCC(O)(CO)CC2)c2ccccc21 67726030 UYHYURJNZLBFID-UHFFFAOYSA-N 289.335 0.533 0 50 CCAA CN1CCCc2ccc(S(=O)(=O)NCCN)cc21 122466308 SOQOGRWSOUAYPK-UHFFFAOYSA-N 269.370 0.306 0 50 CCAA CC(C)N1CCC(C(=O)NC[C@]2(O)CCCNC2)CC1 1506420428 GDXIIANHLYNTEU-HNNXBMFYSA-N 283.416 0.338 0 50 CCAA C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H]1CCC(=O)NC1=O 152119031 ILJSJRMMRDCEFH-GMTAPVOTSA-N 282.340 0.503 0 50 CCAA O=C1C[C@@H](N2C(=O)C3(CCCC3)N=C2O)CN1C1CC1 329371129 MCRVUZYWVZCIHH-SNVBAGLBSA-N 277.324 0.819 0 50 CCAA O=C(N=c1ccc(C2CC2)n[nH]1)N1CC[C@@H](CO)C1 333244484 WZLZWUWSZSLKTM-SECBINFHSA-N 262.313 0.622 0 50 CCAA CC(C)[C@H]1CN(C(=O)CCn2cncn2)CCO1 330728899 HASFRQBVSBEITH-LLVKDONJSA-N 252.318 0.552 0 50 CCAA O=C([C@H]1CNCCO1)N1CCCN(C2CCCC2)CC1 188151861 KSAIENFZWKDDPJ-CQSZACIVSA-N 281.400 0.452 0 50 CCAA C[C@@H](Oc1ccccn1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 333501543 CQGSXRZSGNQOCQ-VXGBXAGGSA-N 289.335 0.682 0 50 CCAA O=C(NCCc1noc(CO)n1)c1n[nH]c2ccccc12 216460130 TWHLKQYGWATHBN-UHFFFAOYSA-N 287.279 0.411 0 50 CCAA Cc1nc(C)c(C(=O)N2C[C@@H](F)C[C@H]2CO)nc1C 366665184 PZSHHEOCWVIWCL-QWRGUYRKSA-N 267.304 0.947 0 50 CCAA Cc1noc(C)c1CN1CCC[C@@](O)(Cn2ccnn2)C1 284470176 FTSPMYLYCXNVQW-AWEZNQCLSA-N 291.355 0.910 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2ccccc2F)C[C@H]1C(N)=O 284695908 JIUKOABLPUMUND-RKDXNWHRSA-N 286.328 0.568 0 50 CCAA CN(C)Cc1nnc(C(=O)N2CCC[C@@H](C(C)(C)O)C2)o1 71416251 PWDJCSBRYGXQBY-SNVBAGLBSA-N 296.371 0.754 0 50 CCAA CCc1nc(C)c(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)s1 215130955 GYGPWRWXQFUAJD-UHFFFAOYSA-N 294.336 0.321 0 50 CCAA COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 335522691 HYUOCXHJCQUJKN-XHDPSFHLSA-N 296.367 0.847 0 50 CCAA NC[C@@H](NC(=O)C[C@@H]1COCCN1)C1CCCCC1 262242155 RPZXNJWHKWIYRK-CHWSQXEVSA-N 269.389 0.389 0 50 CCAA Cc1cccnc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C 284834126 PBUMABYIYWKXDY-OLZOCXBDSA-N 260.341 0.988 0 50 CCAA C/C=C/Cc1nnc(C(=O)N2CC[C@@H](N(C)C)C2)o1 71775943 ZFJZNDBDGDUVFB-ORAHPGNNSA-N 264.329 0.964 0 50 CCAA CCCc1ccc(CN2C[C@H](N)C[C@H]2C(=O)NC)o1 77319311 ALMASVLLXOAZTB-MFKMUULPSA-N 265.357 0.880 0 50 CCAA CN(C)C[C@@]1(O)CCCN(C(=O)CCCc2cn[nH]c2)C1 72121109 CJHFZASIJJXOLS-HNNXBMFYSA-N 294.399 0.648 0 50 CCAA C[C@@H](O)CNc1ccnc(C(=O)NCCc2c[nH]cn2)c1 72169745 XLDHIIYFQIKRBL-SNVBAGLBSA-N 289.339 0.570 0 50 CCAA CCN1C[C@@H](C(=O)NCCCn2ccnc2)CC1=O 46116113 PTGMJHMKDNVLAB-NSHDSACASA-N 264.329 0.258 0 50 CCAA COc1ccccc1CC(=O)NC1(C(=O)O)CCOCC1 131758086 HDOVMZCSBSXSDH-UHFFFAOYSA-N 293.319 0.988 0 50 CCAA CC[C@H](NC(=O)CN1CCOCC1)c1ccncc1 220126188 MMAFHEKYKGIRNH-ZDUSSCGKSA-N 263.341 0.981 0 50 CCAA Cc1c(C(=O)N2CCCN(S(C)(=O)=O)CC2)ccn1C 195037635 LJMGCFSOLSAPOJ-UHFFFAOYSA-N 299.396 0.441 0 50 CCAA CCCc1ncncc1C(=O)N[C@@H]1C[C@@H](C(=O)O)N(C)C1 426438831 JRTPMFMWHXDSFB-SKDRFNHKSA-N 292.339 0.316 0 50 CCAA Cc1nn(C)cc1NC(=O)[C@@H]1CCCN1C1CCNCC1 227490826 WXBGAUJGPOZJPI-AWEZNQCLSA-N 291.399 0.883 0 50 CCAA O=C(O)Cn1ccc(NC(=O)[C@@H]2CCCOC2)n1 181798306 ZQCWBYFWFQGLSE-MRVPVSSYSA-N 253.258 0.333 0 50 CCAA O[C@@H]1COC[C@H]1Nc1ncc(Br)cn1 296178994 ZZMALRAWQQCJJH-RNFRBKRXSA-N 260.091 0.411 0 50 CCAA Cc1noc(CN(C)C(=O)CCN(C)[C@@H]2CCN(C)C2)n1 244601813 DSCDWGNPESVAIC-GFCCVEGCSA-N 295.387 0.362 0 50 CCAA CCc1ccc(CN2CCN(CC(=O)O)C(=O)[C@H]2C)nc1 244794895 QVUYXYKAIVZJHL-LLVKDONJSA-N 291.351 0.761 0 50 CCAA C[C@H]1CN(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CC[C@@H]1C(=O)O 626764321 HVLLWXUMHNLSJR-MMWGEVLESA-N 297.355 0.393 0 50 CCAA CNC(=O)c1ccnc(C[C@H]2CC(=O)N(CCOC)C2)c1 252501520 UGZNGNKVUOZUAL-NSHDSACASA-N 291.351 0.479 0 50 CCAA CCCn1cc(C(=O)NCCn2ccnn2)c(C)n1 534640794 JELNJCFUMNUXRI-UHFFFAOYSA-N 262.317 0.623 0 50 CCAA O=c1ccccn1CCCNS(=O)(=O)N1CCCC1 828406964 HSJTYFATFSYFBQ-UHFFFAOYSA-N 285.369 0.169 0 50 CCAA CCn1cnnc1CN(C)C(=O)Cc1c(C)n[nH]c1C 584896241 SVSKLMISTOBPKH-UHFFFAOYSA-N 276.344 0.839 0 50 CCAA COCCC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 584884641 ZOLWCVRQGASZIW-NSHDSACASA-N 297.355 0.250 0 50 CCAA CCn1cc(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)cn1 1553489799 XTDVTYBXMMMSTG-GFCCVEGCSA-N 277.372 0.926 0 50 CCAA CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@](O)(CO)C1 1875272832 DCZQDRARJRBUKR-DOMZBBRYSA-N 297.326 0.939 0 50 CCAA CN1C(=O)CCc2cc(-c3nn(C)c(=O)n3C)ccc21 1875283270 LSGWFTQQEVEDLZ-UHFFFAOYSA-N 272.308 0.695 0 50 CCAA C/C(=C\CN)C(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C 952893453 HSDJXFUWGZMVMS-OXFRDRNISA-N 278.356 0.831 0 50 CCAA CC(=O)NC[C@H]1CN(Cc2ccon2)CCCO1 888103560 MUVLFKPEFDZVAC-LBPRGKRZSA-N 253.302 0.402 0 50 CCAA O=C(C1=CCOCC1)N1CCC(c2nn[nH]n2)CC1 1332707332 NMBFCDSYUKMJCR-UHFFFAOYSA-N 263.301 0.252 0 50 CCAA COC(=O)c1ccc(CN2CCC(=O)N3CCC[C@@H]23)[nH]1 1775985267 XPDBIPFTFSQUJF-LBPRGKRZSA-N 277.324 0.956 0 50 CCAA C=CC(=O)N(CC)CC(=O)NCC1(n2cccn2)CC1 1520797372 HUBMASZCWUMXJN-UHFFFAOYSA-N 276.340 0.523 0 50 CCAA CC(C)NC(=O)[C@@H](C)n1cc(CN2CCOC[C@H]2C)nn1 899704842 SVGHUUDWRJSJDH-VXGBXAGGSA-N 295.387 0.584 0 50 CCAA O=c1c2c(C(F)(F)F)cccc2ncn1[C@H]1CNC[C@@H]1O 1565511432 JAKDFFPXAIDZAC-UWVGGRQHSA-N 299.252 0.921 0 50 CCAA CN(CC(=O)N1CC[C@](C)(O)[C@H](O)C1)c1ccccc1 1565510088 XDVWXRZUOJYNOE-HIFRSBDPSA-N 278.352 0.467 0 50 CCAA Cc1conc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 631551790 NQWLSHFHRDCDBZ-PWSUYJOCSA-N 279.340 0.776 0 50 CCAA Cc1nc(C(=O)NCCN2CCCC[C@@H]2C)n(C)n1 225394912 WIIRMGLQTGMPQR-JTQLQIEISA-N 265.361 0.728 0 50 CCAA NC(=O)N1CC[C@@H](NC(=O)[C@@]2(C(=O)O)CC=CCC2)C1 653305515 NYDDRGUIVQIKPC-NOZJJQNGSA-N 281.312 0.067 0 50 CCAA CC1(C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)CC(F)(F)C1 902059919 DXAGHQRTAGJGQX-PRHODGIISA-N 289.278 0.981 0 50 CCAA Cc1c[nH]ccc1=NCCNc1ccc(C(N)=O)cn1 1506416060 SQSDEIRFZJLUFM-UHFFFAOYSA-N 271.324 0.830 0 50 CCAA c1cnc(N2CCN(CC3COCCOC3)CC2)nc1 1857695221 ZWLXCWMOLZEHSX-UHFFFAOYSA-N 278.356 0.262 0 50 CCAA CCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O 18283960 ITBJEGNEBGZKEY-UHFFFAOYSA-N 250.254 0.727 0 50 CCAA Cc1cc(CN2CCN(C(C)C)[C@@H](CCO)C2)[nH]n1 19535331 XXCOHFAVFDAFDF-AWEZNQCLSA-N 266.389 0.995 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)Cc1ccncc1)C2 1857722387 UOOTYIQNKUDMPG-KGLIPLIRSA-N 275.352 0.413 0 50 CCAA O=C(NCc1cccc(F)c1)N[C@H]1CCOC[C@@H]1O 636528980 OFBMAQCRMHYTNO-RYUDHWBXSA-N 268.288 0.775 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(CCc2ccccn2)C1 643813576 FICSPSGQEIWBPP-OAHLLOKOSA-N 277.368 0.587 0 50 CCAA Cc1cnc(C)c(N2CC[C@](O)(Cn3ccnn3)C2)n1 671467275 VWXVZKNPJWUEBU-CYBMUJFWSA-N 274.328 0.326 0 50 CCAA CC1(C)NC(=O)N(C[C@H](O)CN2CCCCC2)C1=O 6263394 PQZUVURJXRIBLD-SNVBAGLBSA-N 269.345 0.164 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)C[C@@H]1N 235375730 ZWTGFYBJQACYMH-SKDRFNHKSA-N 273.336 0.991 0 50 CCAA Cc1noc(CCC(=O)N2C[C@@H](C)N[C@H](C)C2)n1 153486209 BEFNLYVPWIUYAX-RKDXNWHRSA-N 252.318 0.519 0 50 CCAA Cn1nnc(CN2CCC(N3CCCC3)CC2)n1 170615437 OKABINUABUPERA-UHFFFAOYSA-N 250.350 0.270 0 50 CCAA CC(C)(CNC(=O)C[C@@H]1CNCCO1)N1CCCC1 534634016 UTTYVQJUKSEFBA-GFCCVEGCSA-N 269.389 0.356 0 50 CCAA O=C1OCC[C@H]1CNS(=O)(=O)c1cnc(C2CC2)o1 2325804127 WRMDSZLYOHECCM-QMMMGPOBSA-N 286.309 0.393 0 50 CCAA CC(=O)Nc1nc(C(=O)NC[C@H]2CCN2C)cs1 928568616 HSKAHFBNLZCIJM-MRVPVSSYSA-N 268.342 0.535 0 50 CCAA C[C@H](Oc1ccccc1)C(=O)Nc1c[nH]c(=O)[nH]c1=O 619176 AFEAPUSOAJZVMS-QMMMGPOBSA-N 275.264 0.469 0 50 CCAA biogenic,in-vitro CCOC(=O)[C@@H]1OCCN(C(=O)OC(C)(C)C)CC1=O 102135923 KPLRWEADFOJTOD-SNVBAGLBSA-N 287.312 0.755 0 50 CCAA C[C@H](NC(=O)[C@H](C)N1CCNC(=O)C1)[C@H]1C[C@H]2CC[C@H]1C2 249501545 AMJBXTRYCBSRKL-HTVCTNPSSA-N 293.411 0.748 0 50 CCAA Cc1cccc(OCC(=O)NCCN2CCOCC2)c1 20255464 MJABNDVQJWEDOB-UHFFFAOYSA-N 278.352 0.822 0 50 CCAA C[C@@H]1C[C@@H](N2CCC[C@@H](Cn3cncn3)C2)C(=O)O1 229477342 NDBDPBMMWXOJLU-IJLUTSLNSA-N 264.329 0.694 0 50 CCAA Nc1nc(N2CCCC2)cc(N2CCN3CCC[C@@H]3C2)n1 65381246 FSFNMZCVIACDTB-GFCCVEGCSA-N 288.399 0.943 0 50 CCAA CC(C)(C)OC(=O)N1CC(Cn2cc(C(=O)O)nn2)C1 409427628 WQIBRWQZVJPEHG-UHFFFAOYSA-N 282.300 0.843 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@H]1c1ncon1 329062452 NXVUWKLNVVJAQF-SNVBAGLBSA-N 289.295 0.495 0 50 CCAA COCC(COC)N1C(=O)[C@@H]2[C@@H]3CCC[C@H]3CN2C1=O 333926148 VESVPYAVADJUBJ-WCQGTBRESA-N 282.340 0.711 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1cn(Cc2cccs2)nn1 124890922 YYSBOZDTJCCXPI-SNVBAGLBSA-N 291.380 0.822 0 50 CCAA CCN1CCC(NC(=O)Cn2cc(C)cn2)CC1 330543591 NSOAANVMLQNRDU-UHFFFAOYSA-N 250.346 0.792 0 50 CCAA CCOCC(=O)N1CCC(c2nnc(CO)n2C)CC1 219986164 MABFOXCLZUUZLK-UHFFFAOYSA-N 282.344 0.050 0 50 CCAA C[C@H](C(=O)O)N(C)S(=O)(=O)c1cnn(CC(F)F)c1 262454006 GMTKSQSKRKHQJO-ZCFIWIBFSA-N 297.283 0.242 0 50 CCAA CCCN(CCO[C@H]1CCCCO1)[C@@H]1CC(=O)N(C)C1=O 338333670 WGGTTWAUASKWGR-OCCSQVGLSA-N 298.383 0.999 0 50 CCAA NC(=O)CCNC(=O)N1CC(Oc2ccccc2F)C1 426730475 UJJDGQVMOKQICK-UHFFFAOYSA-N 281.287 0.474 0 50 CCAA O=C(CN1CC(O)=NC1=O)N1CC[C@H](N2CCCCC2)C1 329494103 WSDGLPCWQQBRGT-NSHDSACASA-N 294.355 0.465 0 50 CCAA CCC[C@H]1C(=O)NCCN1c1nc(C)nc2c1cnn2C 179605115 MTOFUKATQNXQSU-NSHDSACASA-N 288.355 0.777 0 50 CCAA CN(Cc1cn(C)nn1)C(=O)[C@H](CO)c1ccccc1 618817267 UYHNQKJDFZSZDL-CYBMUJFWSA-N 274.324 0.550 0 50 CCAA COC(=O)c1cnc(NC(=O)[C@@H]2CCOC2)s1 299320046 ONYGBFDLWPWGJB-ZCFIWIBFSA-N 256.283 0.905 0 50 CCAA CCCn1nccc1S(=O)(=O)N1CCC(N)CC1 534664010 UMJBSXHFBRYZHX-UHFFFAOYSA-N 272.374 0.405 0 50 CCAA Cc1ccc(CC(=O)NCc2nc(N)n[nH]2)cc1F 534658059 FTZOBRVKTZEFOL-UHFFFAOYSA-N 263.276 0.693 0 50 CCAA C[C@@H](NC(=O)N1CCN(CCO)CC1)c1ccc(O)cc1 534577768 UJRXHIAPTBNUAJ-GFCCVEGCSA-N 293.367 0.773 0 50 CCAA CCN1C[C@H](NC(=O)c2c(Cl)cnn2C)[C@@H](OC)C1 534589056 OCIODAMTUQWHII-UWVGGRQHSA-N 286.763 0.522 0 50 CCAA COCCN1C[C@@H](CN(C)Cc2c[nH]nc2C)CC1=O 299798563 RDZNPJOVNNYWFM-GFCCVEGCSA-N 280.372 0.645 0 50 CCAA Cc1ccc(CC2(NC(=O)[C@@H](N)[C@@H](C)O)CC2)cc1 299782625 VHFBQBAEVYQDAV-YPMHNXCESA-N 262.353 0.894 0 50 CCAA CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCCC1 647884306 XULBMZJHONWZCY-GHMZBOCLSA-N 261.391 0.399 0 50 CCAA Cc1nn(CC(=O)NCC[C@]2(C)CC2(F)F)c(=O)o1 630085902 VCTSOWVSSGMTPG-SNVBAGLBSA-N 275.255 0.696 0 50 CCAA Cn1nc(CO)c2c1CCN(C[C@@H]1CCCO1)C2 828837224 KSWXDMXWKVUSHO-JTQLQIEISA-N 251.330 0.450 0 50 CCAA Nc1ccc(O)cc1C(=O)NCCN1CCCC[C@@H]1CO 828710829 LEQJNMHUJONHNM-LLVKDONJSA-N 293.367 0.551 0 50 CCAA O=c1c2ccncc2ncn1CCCN1CCOCC1 584884157 AVYQKUUKUXILCF-UHFFFAOYSA-N 274.324 0.514 0 50 CCAA COCCCCN1CCN(C(=O)c2cncc(O)c2)CC1 584894401 VRBXUTKCRDBTLH-UHFFFAOYSA-N 293.367 0.972 0 50 CCAA COCCN1C[C@@H](CNc2nccc(OC)n2)CC1=O 670438035 NVHKEHYQVAFIPC-SNVBAGLBSA-N 280.328 0.392 0 50 CCAA O=C1NC2(CC2)C(=O)N[C@@H]1Cc1ccc(O)c(F)c1 1875319783 RQTZKBWOUWWZDG-SECBINFHSA-N 264.256 0.221 0 50 CCAA CC(C)OCCCN(C)C(=O)C(=O)N1C[C@H]2CNC[C@H]1C2 1875319678 NMBSFIPVJJTWKU-CHWSQXEVSA-N 297.399 0.080 0 50 CCAA C[C@@H](c1nnnn1C)N1CCn2ncc(CN(C)C)c2C1 952890092 RVVKHUZINDSQOL-JTQLQIEISA-N 290.375 0.045 0 50 CCAA Cc1n[nH]c(=NCCCCCC(=O)NCCC(=O)O)o1 1875296398 UUXBKIYFNVTFOP-UHFFFAOYSA-N 284.316 0.363 0 50 CCAA CN[C@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)C1 133546057 JRKNQEWIBRPUBM-LBPRGKRZSA-N 262.357 0.972 0 50 CCAA CCc1nccn1CCC(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1565515219 UCJJMFZOLBKDJY-RYUDHWBXSA-N 290.367 0.772 0 50 CCAA CC(C)(C)OC(=O)N1CC(CN2CC[C@H](C(N)=O)C2)C1 585079877 XFBVDFWCXQKTJB-NSHDSACASA-N 283.372 0.661 0 50 CCAA CC(C)n1[nH]cc/c1=N\C(=O)CSc1nncn1C 169874419 YPLYHDCSUNXINO-NTEUORMPSA-N 280.357 0.745 0 50 CCAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 408013272 BTYBIJYFDWWGQO-SECBINFHSA-N 299.396 0.397 0 50 CCAA CO[C@H](C)CS(=O)(=O)N1C[C@H](C)OC(C)(C)C1 195141230 VZUATZKAJUTWPD-VHSXEESVSA-N 265.375 0.850 0 50 CCAA Cc1cc(CS(=O)(=O)N[C@@H]2C[C@@H](O)C23CCC3)no1 657183547 CRNDOAVNZUNZEY-GHMZBOCLSA-N 286.353 0.706 0 50 CCAA CO[C@@H](C(=O)Nc1ncn(CC(=O)O)n1)C1CCC1 663337386 WCGKYYWGBLJCDH-SECBINFHSA-N 268.273 0.116 0 50 CCAA CC(=O)N1CC(NC(=O)Nc2ccc(C3CC3)nn2)C1 583651062 GRKKIDZOXUIMIN-UHFFFAOYSA-N 275.312 0.706 0 50 CCAA Cc1cc(CN2CCC[C@@](O)(c3cnn[nH]3)C2)no1 794042129 HJDJUFRHBKMZTK-LBPRGKRZSA-N 263.301 0.585 0 50 CCAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)CCC(F)(F)F)C1 1857702850 QWOAWRAVPQSZER-BDAKNGLRSA-N 268.279 0.852 0 50 CCAA Cc1ccncc1S(=O)(=O)N1CCO[C@@H](C)C1 408282186 ZCZGLTJWFGXAKZ-JTQLQIEISA-N 256.327 0.799 0 50 CCAA CC(C)(C)OC(=O)N1CC2(CC(C(=O)O)=NO2)C1 307738428 HSBSFXGYYQDTBF-UHFFFAOYSA-N 256.258 0.837 0 50 CCAA in-vitro N=c1nc(S[C@H](Cc2ccccc2)C(N)=O)[nH][nH]1 351632877 YADKJXITHOXTAH-MRVPVSSYSA-N 263.326 0.406 0 50 CCAA Cc1cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)on1 374828848 LTGNIYVJMJSOQD-UHFFFAOYSA-N 299.396 0.983 0 50 CCAA C[C@@H](OCC(=O)N1CCCN(C)CC1)c1nccn1C 377045153 SCCLHBXJTBZYLZ-GFCCVEGCSA-N 280.372 0.662 0 50 CCAA O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F 34397146 WOAGDWWRYOZHDS-UHFFFAOYSA-N 293.166 0.070 0 50 CCAA in-vitro O=C(NCc1cnc2cnccn12)c1ccc2c[nH]nc2n1 1775981223 BOVQJLOVJOIHFI-UHFFFAOYSA-N 293.290 0.931 0 50 CCAA O=C(NC1CCC1)c1cc(CN2CCOCC2)on1 19790889 XVPAVUVICVSLBR-UHFFFAOYSA-N 265.313 0.789 0 50 CCAA Cc1cc(=O)cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)o1 1857737073 VXHXBPQBWLCBHX-SRVKXCTJSA-N 292.335 0.540 0 50 CCAA Cc1ncn(CCNC(=O)[C@H]2CCc3ncnn3C2)c1C 1857741173 GRVYIIMXOPGYGW-LBPRGKRZSA-N 288.355 0.470 0 50 CCAA O=C(c1ccccc1-c1cn[nH]c1)N1CCO[C@@H](CO)C1 635709794 POJSZIBKIWLPAQ-GFCCVEGCSA-N 287.319 0.910 0 50 CCAA Cc1nn(C(C)C)cc1CN1CC[C@H]2OCC(=O)N[C@H]2C1 253432016 WBMJXBLWTWODAB-UONOGXRCSA-N 292.383 0.862 0 50 CCAA COc1nn(C)cc1NC(=O)N1CCO[C@]2(CCOC2)C1 682758565 KCLLDMNOKBHCTC-CYBMUJFWSA-N 296.327 0.452 0 50 CCAA O=C(c1cnc(O)[nH]1)N1CCC[C@H](C2(O)CC2)C1 1772808311 MNJKLEMNVKRQCX-QMMMGPOBSA-N 251.286 0.492 0 50 CCAA C[C@H]1CCCN(C(=O)C2CCN(C)CC2)[C@@H]1CN 156955886 LSNLAMFYNNCNIW-WCQYABFASA-N 253.390 0.914 0 50 CCAA CSCC[C@H](O)C(=O)NCCc1noc(C(C)C)n1 299775964 MOZAFPRJLZTVRK-VIFPVBQESA-N 287.385 0.966 0 50 CCAA CO[C@H]1C[C@@H](CO)N(C(=O)c2ccncc2F)C1 311075925 FADZSTSPKUGITP-IUCAKERBSA-N 254.261 0.443 0 50 CCAA O=C(CCc1cn[nH]c1)N1CCN2C(=O)OC[C@H]2C1 863899079 ZSOVZCUMTLIUSX-SNVBAGLBSA-N 264.285 0.005 0 50 CCAA Cc1noc(C)c1CN1C[C@H]2COC[C@@]2(C(=O)O)C1 1594499613 ZXWNDBMCIIIZKV-GWCFXTLKSA-N 266.297 0.824 0 50 CCAA COC(=O)[C@H]1C(=O)N(C(C)=O)C[C@@H]1c1ccccc1 210415 ICMXWPXCOAOFCK-VXGBXAGGSA-N 261.277 0.948 0 50 CCAA Cc1cnn(-c2cc(N3C[C@@H]4CNC(=O)[C@@H]4C3)ncn2)c1 2356166093 OEUNKNWBNOHYEX-WDEREUQCSA-N 284.323 0.153 0 50 CCAA Cc1cc(CC(=O)N2C[C@H]3COC[C@@]3(CO)C2)cc(C)n1 2356166378 VMSWFONMEVHFSW-HOCLYGCPSA-N 290.363 0.708 0 50 CCAA Cc1c(CN(C)C(=O)NC[C@H]2CC[C@@H](CO)O2)cnn1C 520321052 CQLFDRJZZLXKLV-OLZOCXBDSA-N 296.371 0.410 0 50 CCAA CCCNC(=O)N1CCc2nc(N(C)C)[nH]c(=O)c2CC1 65387640 KLTQQVHNNDYMNK-UHFFFAOYSA-N 293.371 0.356 0 50 CCAA O=C1NC(=O)[C@@](Cc2ccc(F)cc2)(C2CCNCC2)N1 67714356 KXAJDLALJZIERU-OAHLLOKOSA-N 291.326 0.946 0 50 CCAA O=C(NCCc1cnccn1)[C@H]1COc2ccccc2O1 20854617 PONQIGQVHGUQDX-CQSZACIVSA-N 285.303 0.975 0 50 CCAA CC(=O)NC(C)(C)C[C@@H](C)NCCc1nc(N)n[nH]1 1506407243 PYEBZHBOWMVNFM-MRVPVSSYSA-N 268.365 0.212 0 50 CCAA Cc1cc(C)c(C(=O)N2C[C@@H](O)[C@H](N(C)CC(=O)O)C2)o1 328602954 DJXFRTLQGBZFPL-GHMZBOCLSA-N 296.323 0.098 0 50 CCAA CC(=O)N[C@@H](C(=O)N1CC[C@@H](C(=O)O)C1)C1CCCC1 236713224 KUCWKMYHYWXBTK-VXGBXAGGSA-N 282.340 0.614 0 50 CCAA COCC1(c2nc(CN3CCN(C)CC3)no2)CCC1 67473452 JUYMKVAYYFBOCM-UHFFFAOYSA-N 280.372 0.885 0 50 CCAA CCOC(=O)c1cnc(NC(=O)NC2CCOCC2)n1C 253424835 LBOHWMSRVKPPJS-UHFFFAOYSA-N 296.327 0.897 0 50 CCAA CNC(=O)[C@@]1(C)CCN(C(=O)c2cccc(CO)c2)C1 336097895 WOQHOQCXDHHCGV-HNNXBMFYSA-N 276.336 0.777 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)CCOC1CCOCC1 262682477 BUVBOUKQQJDVNG-NSHDSACASA-N 271.313 0.648 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)Cc2ccnn2C)N(C)C1 284481216 BIIBTQGIAMOFMF-STQMWFEESA-N 280.372 0.140 0 50 CCAA CCCc1cnc(C)nc1N1CCN[C@@H](C(=O)O)C1 71748029 PEYXCYIZINJJLT-LLVKDONJSA-N 264.329 0.600 0 50 CCAA Cn1ccnc1-c1nccn1CCS(C)(=O)=O 72410348 UDOPHWYMPLMJPX-UHFFFAOYSA-N 254.315 0.328 0 50 CCAA CC(C)n1cc(C(=O)N2CC(N3CCOCC3)C2)cn1 77419629 RNGAJIIGKJNSLC-UHFFFAOYSA-N 278.356 0.621 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCCCc1cnn(C)c1 222497398 BYDWXOSTKRUVET-CYBMUJFWSA-N 290.371 0.509 0 50 CCAA Nc1nnc(SCC(=O)NCCCn2ccnn2)s1 221156297 KMNYICPPTISTLM-UHFFFAOYSA-N 299.385 0.010 0 50 CCAA O=C1OCCCN1CCNc1cc([C@H]2CCOC2)ncn1 426641490 IPXUOANICAXTQB-NSHDSACASA-N 292.339 1.235 0 50 CCAA CCOCc1nc(CC(N)=O)nn1Cc1ccccc1 95501445 BSCFFGVJUFBBRB-UHFFFAOYSA-N 274.324 0.891 0 50 CCAA Cc1cc(C)c(NC(=O)NCc2n[nH]c(=O)[nH]2)c(C)n1 95499451 QZTHLDZELVVPQN-UHFFFAOYSA-N 276.300 0.740 0 50 CCAA CN(C)C[C@@H]1CN(C(=O)c2ccccc2O)C[C@@H]1CO 91441243 ZTNZQMNHGLQNEG-VXGBXAGGSA-N 278.352 0.634 0 50 CCAA CCn1ccnc1[C@H]1CCCN(C(=O)Cn2cnnn2)C1 91645513 UENOXPXIBSPMBG-NSHDSACASA-N 289.343 0.296 0 50 CCAA CN(C(=O)C1(N)CC1)[C@@H]1CCN(c2ccccc2F)C1=O 237280167 NXEGAIKZHKLTBE-GFCCVEGCSA-N 291.326 0.881 0 50 CCAA CCN1CCN(CC(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)CC1 91551102 SPKDPDYWHWOLHZ-CJNGLKHVSA-N 295.427 0.243 0 50 CCAA C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@]1(O)C1CCC1 91441178 FCGIJMVMOGPTFK-OTYXRUKQSA-N 266.341 0.261 0 50 CCAA CC(C)COc1cncc(N2CC(=O)N[C@@H](C)C2)n1 295804241 SRKIFRURTASTEU-JTQLQIEISA-N 264.329 0.836 0 50 CCAA CCn1ccc(CN2CCCN(C(=O)COC)CC2)n1 244898850 ZCURJLDSRAXRGU-UHFFFAOYSA-N 280.372 0.584 0 50 CCAA CN(CCn1cccn1)Cc1nnc([C@H]2C[C@H](N)C2)n1C 244853045 VEFJQZNPVXNHNM-HAQNSBGRSA-N 289.387 0.348 0 50 CCAA C[C@@H](CS(C)(=O)=O)Nc1cnn(CC(F)F)c1 182641411 RKEHTAALNQVEOZ-ZETCQYMHSA-N 267.301 0.993 0 50 CCAA COCCCn1cc(C(=O)OC)c2n[nH]c(=O)c-2c1 253414191 WSKUFQAWQSMMNT-UHFFFAOYSA-N 265.269 0.499 0 50 CCAA Cc1nonc1CC(=O)N1CCN(C2CCCC2)C(=O)C1 252490752 LAENROXOPNLJJZ-UHFFFAOYSA-N 292.339 0.534 0 50 CCAA CC[C@H](NC(=O)NCC(=O)NC(C)C)c1ccnn1C 534634327 DMJBUGBZXSWXER-JTQLQIEISA-N 281.360 0.695 0 50 CCAA CC(=O)N1CCN(C(=O)CCNc2ncc(F)cn2)CC1 269527134 XOWSEMWDOCTRLZ-UHFFFAOYSA-N 295.318 0.108 0 50 CCAA COCCn1cnnc1CNC(=O)C[C@H](C)n1cccn1 299779950 HQEQPKWPMPXXPR-NSHDSACASA-N 292.343 0.389 0 50 CCAA CC(=O)Nc1ccc(F)c(NC(=O)N(C)C[C@@H](O)CO)c1 299756307 GGAXUYMOGPWYAS-SNVBAGLBSA-N 299.302 0.601 0 50 CCAA CS(=O)(=O)NCc1ncnn1CCc1ccccc1 824864448 JKJFVTOCUFMRHM-UHFFFAOYSA-N 280.353 0.570 0 50 CCAA C[C@H](CN1CCOCC1)Nc1cccc(C(=O)N(C)C)n1 821891436 OMVJIOLXCCJCHD-GFCCVEGCSA-N 292.383 0.916 0 50 CCAA CCOCc1nc(CC(N)=O)nn1-c1cccc(C)n1 823338150 LWIZFMQZOGSURX-UHFFFAOYSA-N 275.312 0.535 0 50 CCAA CC(C)C1(CNS(=O)(=O)N2CCN(C)CC2)CC1 823791318 ZQCMPTSJJQPTGZ-UHFFFAOYSA-N 275.418 0.504 0 50 CCAA O=C1CN(C(=O)NCc2ccc3c(c2)CCCO3)CCN1 584891127 XEYNTZRYDGLVGF-UHFFFAOYSA-N 289.335 0.653 0 50 CCAA Cc1cc[nH]c1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942893 XVJJOMBRAUAPTI-WDEREUQCSA-N 276.296 0.622 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)NCCc1ccncc1)C2 1553460972 IFEHINORMMFNKD-JSGCOSHPSA-N 260.341 0.757 0 50 CCAA Nc1ccnc(CNC(=O)c2ncoc2[C@H]2CCCO2)n1 1776002499 JRMIFUIIFVJZDX-MRVPVSSYSA-N 289.295 0.828 0 50 CCAA C[C@H](CN1CCOCC1)Cn1nnc(-c2ccncn2)n1 1413932020 KUXJRCCFRRXVDS-LLVKDONJSA-N 289.343 0.098 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1Nc1ncc(F)cn1 1565509413 URNMNADWLKQLJF-VLEAKVRGSA-N 252.293 0.745 0 50 CCAA Cn1nccc1S(=O)(=O)NC[C@H]1CCc2nccn2C1 275245083 FWXKBMYSAXVDCJ-SNVBAGLBSA-N 295.368 0.158 0 50 CCAA C[C@@H]1c2cccn2CCN1C(=O)c1ccc2c(c1)COB2O 584927740 KSYJKVLHIFFDJT-LLVKDONJSA-N 296.135 0.923 0 50 CCAA Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H](C)C2)ccn1 408448489 VUMKKUQYGIBIGL-SNVBAGLBSA-N 282.365 0.897 0 50 CCAA CCCN1C[C@H](C(=O)N(C)Cc2ccon2)CC1=O 412117688 DQCJERROADZFQM-SNVBAGLBSA-N 265.313 0.892 0 50 CCAA CN1CCO[C@H](CNCc2ccnn2-c2ccccn2)C1 647180234 OJIXLZMICFEVRF-CQSZACIVSA-N 287.367 0.688 0 50 CCAA C[C@H](N)C1CCN(C(=O)C(=O)N2C[C@H]3[C@H](C2)C3(C)C)CC1 579822806 XILOUPHCGOCJNT-DRZSPHRISA-N 293.411 0.687 0 50 CCAA COC[C@@H](C)S(=O)(=O)N1C[C@H](C)[C@@H](C(=O)O)C1 1857532960 PWWDGQNYQSWZKL-YIZRAAEISA-N 265.331 0.004 0 50 CCAA O[C@@H]1CN(Cc2cncs2)C[C@H]1Cc1cnccn1 1704358245 HNXPYNGYCBWGAM-ZWNOBZJWSA-N 276.365 0.969 0 50 CCAA CN1C[C@H](CN2CCN(C)C3(CCNCC3)C2)CCC1=O 1800411102 FKVCBRGAMQRNTI-CQSZACIVSA-N 294.443 0.224 0 50 CCAA CO[C@H]1CN(S(=O)(=O)c2ccccc2F)C[C@H]1OC 234915071 ZSBYGIHSLQRFLQ-PHIMTYICSA-N 289.328 0.860 0 50 CCAA C[C@H](CNC(=O)[C@@H](O)C(C)(C)N)Oc1ccccc1 1875308441 GNLJTUBRDTZKBX-ZYHUDNBSSA-N 266.341 0.668 0 50 CCAA O=C(CNC(=O)c1cscn1)NC[C@H]1CCCC[C@@H]1O 1615566160 SVBCBUPTWFGBBA-KOLCDFICSA-N 297.380 0.540 0 50 CCAA O=C(c1cn2ccsc2n1)N1C[C@H](O)[C@@H](F)C1 1616158998 RUQWFFMGZXXSIV-XPUUQOCRSA-N 255.274 0.551 0 50 CCAA Cc1cc(NC(=O)C[C@H]2SC(N)=NC2=O)no1 5043790 BNNSJPYYGGKDPB-RXMQYKEDSA-N 254.271 0.268 0 50 CCAA NC[C@@H]1CCC[C@@H]1NC(=O)c1ncncc1Cl 238006289 LPCMVURUZNWRRP-CBAPKCEASA-N 254.721 0.987 0 50 CCAA CS(=O)(=O)N1CCN(Cc2cccs2)CC1 19842822 IMMIRIXICIFVOZ-UHFFFAOYSA-N 260.384 0.825 0 50 CCAA O=C(O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 3195242 OQDIPZLKZONRKR-UHFFFAOYSA-N 299.348 0.725 0 50 CCAA in-vitro CN1C[C@H]2COC[C@@H]1CN(Cc1ccc(C(N)=O)cc1)C2 1704310487 YJZFJIZQAZIPST-HIFRSBDPSA-N 289.379 0.548 0 50 CCAA Cc1cnc(CN2CCCC[C@@H]2CS(N)(=O)=O)cn1 931228384 GZOZWSJXRDRWLA-GFCCVEGCSA-N 284.385 0.428 0 50 CCAA CCN1C(=O)C[C@H](NCc2ccc3c(c2)OCO3)C1=O 2890547 REPRPNKAUBDOTB-JTQLQIEISA-N 276.292 0.652 0 50 CCAA COCC[C@]1(C(=O)N2CCOC(C)(C)C2)CCNC1 372120729 FJTXZVPXQRSTIL-CQSZACIVSA-N 270.373 0.640 0 50 CCAA CCN1CCN(C(=O)[C@H]2CCC(=O)N(CC)C2)[C@H](C)C1 2325754183 LBXMBQGSJDDQBU-OLZOCXBDSA-N 281.400 0.798 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@@]2(CCNCC(=O)N2)C1 2325712108 LQOKJKLLHCEDSL-CQSZACIVSA-N 283.372 0.866 0 50 CCAA O=C(O)CSc1nsc(SCC(=O)O)n1 2025582 ZFCPCFWCBDYWAI-UHFFFAOYSA-N 266.325 0.892 0 50 CCAA CCOC(=O)C(C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 3882211 ZRZIZOUPRLJLLK-MRVPVSSYSA-N 278.326 0.164 0 50 CCAA NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)cs1 6859506 QHVLGVLSMJOJNH-ZETCQYMHSA-N 290.366 0.304 0 50 CCAA C[C@@H](NC(=O)CCn1nnc2ccccc21)C(=O)N(C)C 67804836 YWJAVHUYOQFGJC-SNVBAGLBSA-N 289.339 0.414 0 50 CCAA C[C@H](Cn1cccn1)N[C@H](C)C(=O)NC[C@H]1CCCO1 252504713 DGOIHVVPGDBIPA-JHJVBQTASA-N 280.372 0.545 0 50 CCAA CCC(CC)CNC(=O)C(=O)N1CCO[C@@H](C)C1 328590065 AVJPQDVZMYRFKL-JTQLQIEISA-N 256.346 0.786 0 50 CCAA CN1CCc2ccc(NC(=O)[C@@H]3CCC(=O)N3)cc2C1=O 123714006 ZRWXWHCYKSLKTH-LBPRGKRZSA-N 287.319 0.532 0 50 CCAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)Cc1ccc(O)c(F)c1 65393565 OAQFNSYFKCYRPV-MNOVXSKESA-N 292.310 0.953 0 50 CCAA CCC[C@]1(CO)CCCN1C(=O)[C@H](C)n1cncn1 331284618 FXOAFYFRABDSQP-WCQYABFASA-N 266.345 0.993 0 50 CCAA CN1CC2(CCN(Cc3nccn3C)CC2)C[C@H]1C(=O)O 72147774 KLXQERFSPFVVAJ-LBPRGKRZSA-N 292.383 0.791 0 50 CCAA CCn1cnnc1CCNc1nc(C)nc2c1cnn2C 72167640 BMGHEDZUECYPOK-UHFFFAOYSA-N 286.343 0.938 0 50 CCAA O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCCCC1 178075728 LRWIVWPQERUXMS-JTQLQIEISA-N 262.313 0.775 0 50 CCAA O=C(c1nnc(O)c2ccccc12)N1CCN2CC[C@H]1C2 381974168 CJXNPZZTZYUORA-JTQLQIEISA-N 284.319 0.866 0 50 CCAA CC(C)(C(=O)NCCc1ncc[nH]1)N1CCCC1 426405774 STDIILSZFMIPAX-UHFFFAOYSA-N 250.346 0.943 0 50 CCAA O=C(CCCn1cccn1)N1CCC[C@](O)(CO)CC1 220230744 KJXVWHNPRJWYFF-CQSZACIVSA-N 281.356 0.399 0 50 CCAA CCn1ccnc1C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 291587884 HCQAGINSXAKASK-RYUDHWBXSA-N 278.356 0.448 0 50 CCAA CCN1CCC[C@H](C(=O)NCCc2cnn[nH]2)C1 426628719 FRLQDXCPKBAFMK-JTQLQIEISA-N 251.334 0.195 0 50 CCAA CN1CCN(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)CC1 239433647 YGPRXDQZUXRSHD-ZDEQEGDKSA-N 293.367 0.178 0 50 CCAA Cc1cccn(CC(=O)N[C@H](C)c2nc[nH]n2)c1=O 181479528 XGXPGDHNGSONJA-SECBINFHSA-N 261.285 0.152 0 50 CCAA c1ccc(COCc2cn(C[C@@H]3CNCCO3)nn2)cc1 95370631 QZSPVNGJLCSLOA-HNNXBMFYSA-N 288.351 0.983 0 50 CCAA CCOC[C@@H](O)CNC(=O)c1cc(C)c(CC)n(C)c1=O 97785070 GOEQYJYKQLXLSX-NSHDSACASA-N 296.367 0.383 0 50 CCAA COCCN1CCC(CN2C(=O)CC[C@@H]2CCN)CC1 526056012 VWYBPTWMTIMJOR-CQSZACIVSA-N 283.416 0.685 0 50 CCAA CN(Cc1n[nH]c2c1CCC2)C(=O)CN1CCOC1=O 244773793 PGRBYYJLHBKZQQ-UHFFFAOYSA-N 278.312 0.309 0 50 CCAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1ccc(C(N)=O)cn1 299749295 JWAUKMZCBOVLHA-BXKDBHETSA-N 276.340 0.522 0 50 CCAA NC(=O)c1ccc(NC(=O)CCCn2cnnn2)cc1 524732819 QATVHTCIPJRDDF-UHFFFAOYSA-N 274.284 0.191 0 50 CCAA O=C(NCCn1ccnn1)C1(N2CCCC2)CCCC1 534592178 JMYYYTQRAOHCAV-UHFFFAOYSA-N 277.372 0.803 0 50 CCAA CCc1nn(C)c2c1NC(=O)[C@@H]1C[C@@H](N(C)C)CN1C2=O 534658840 QZMACMDSWWBVNY-SCZZXKLOSA-N 291.355 0.079 0 50 CCAA Cc1cccc(F)c1S(=O)(=O)N[C@@H](C)C(=O)O 262459767 SCXLMJJLKWUNBC-ZETCQYMHSA-N 261.274 0.886 0 50 CCAA O=C(N[C@@H]1CCNC[C@H]1O)NC12CC3CC(CC(C3)C1)C2 534656013 FIQRXINGPFYGQF-GQWBEDRXSA-N 293.411 0.977 0 50 CCAA COC(=O)[C@@]1(C)CCN(C[C@H](O)C(F)(F)F)C1 121485053 LCVIBLULVYCUII-CBAPKCEASA-N 255.236 0.795 0 50 CCAA COCc1noc(-c2cncnc2N2CC[C@@H](N)C2)n1 263618529 UFKJMORSLUFIIS-MRVPVSSYSA-N 276.300 0.210 0 50 CCAA CN(CCS(=O)(=O)c1ccccc1)Cc1nncn1C 286664217 AYEYAZCKAULVFN-UHFFFAOYSA-N 294.380 0.721 0 50 CCAA Cc1nccnc1CN1CC[C@H]2OCc3cnnn3[C@H]2C1 299775705 GUVFDCSAQDIQHD-UONOGXRCSA-N 286.339 0.722 0 50 CCAA Cc1nc([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)n[nH]1 825261862 UGUVJLCKUIGELU-SECBINFHSA-N 296.356 0.405 0 50 CCAA CCN1CCC[C@@H](CN2CCN(CCC(=O)O)CC2)C1 823109862 DCTUPCRJLQKPRH-CQSZACIVSA-N 283.416 0.811 0 50 CCAA CCN1CCC[C@H]1CNC(=O)CCCN1CCCC1=O 823113186 JXSOMEWNCZVVII-ZDUSSCGKSA-N 281.400 0.990 0 50 CCAA CC(C)OC(=O)N1CCC(NCc2nc(O)n[nH]2)CC1 584884888 IZBBYYNWZJGILW-UHFFFAOYSA-N 283.332 0.609 0 50 CCAA CCNc1ncc(CN2CCOC[C@@H](CN(C)C)C2)cn1 670449272 ZISGLHOOIKAKIY-AWEZNQCLSA-N 293.415 0.918 0 50 CCAA CN1C(=O)N(C)C2(CCN(CC[C@@H]3CCOC3)CC2)C1=O 670457151 MPYOUWCALAKHQC-GFCCVEGCSA-N 295.383 0.771 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)CN2CCCCCC2)C1 670465600 SECDYLLMVNVUBD-HNNXBMFYSA-N 297.443 0.899 0 50 CCAA CC(C)(O)[C@H]1CCN(Cc2c[nH]nc2C(=O)O)C1 670456159 SYTVFOZHGGYHNV-VIFPVBQESA-N 253.302 0.701 0 50 CCAA O=C(NC[C@@]12CNC[C@@]1(C(F)(F)F)C2)N1CCNCC1 1551564644 ZFDUTBNWCUSCCK-MNOVXSKESA-N 292.305 0.143 0 50 CCAA O=C(NOCc1cccnc1)[C@@H]1CO[C@@H]2COC[C@@H]21 1875293521 SWPQRTDKZDJIEW-IJLUTSLNSA-N 264.281 0.291 0 50 CCAA Cc1nc(C(=O)NC[C@](C)(O)[C@@H]2CCCCO2)no1 1875306092 RXLVSTOOIALBBU-CABZTGNLSA-N 269.301 0.428 0 50 CCAA N[C@@H](C(=O)NCc1cc(O)nc(O)n1)c1cccs1 1875345408 ZNFMBDOQIRSPQX-SECBINFHSA-N 280.309 0.266 0 50 CCAA O=C1CC[C@H](CNC(=O)c2cc(O)nc(C3CC3)n2)N1 1875332740 IFSCGLWYAXGUHT-MRVPVSSYSA-N 276.296 0.068 0 50 CCAA CN1C[C@@H]2CN(C(=O)c3ccnc4[nH]cnc34)C[C@]2(C)C1 887929076 HVIDQCIVUIDRSD-BMIGLBTASA-N 285.351 0.982 0 50 CCAA O=C1CN(c2cccc3nncn23)CCN1CC(F)(F)F 893842040 NVOUQQRKPQJVGL-UHFFFAOYSA-N 299.256 0.940 0 50 CCAA CC(=O)N[C@@H]1CCN(c2nnc(-c3ccon3)s2)C1 894245132 YVFOFWLDDCOPHY-MRVPVSSYSA-N 279.325 0.908 0 50 CCAA Cc1c(C(=O)NC2(c3ncon3)CCOCC2)cnn1C 1776002424 ZUSMHWYLRSWMGU-UHFFFAOYSA-N 291.311 0.547 0 50 CCAA O=C([C@H](O)[C@H](O)c1nc2ccccc2[nH]1)N1CCCC1 275273900 KFOSETBPWJLLKE-NWDGAFQWSA-N 275.308 0.580 0 50 CCAA COc1ccc(C(=O)NC[C@H]2CCc3nccn3C2)nn1 275347333 MDIRIRRWAUADPR-SNVBAGLBSA-N 287.323 0.674 0 50 CCAA CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C1CCC1 170598347 AHHLGENKKQJZSL-UHFFFAOYSA-N 298.430 0.082 0 50 CCAA CCCNC(=O)c1ccc(N2C[C@@H](OC)C[C@H]2CO)nc1 671438812 YUFNSFCULCLTGJ-STQMWFEESA-N 293.367 0.807 0 50 CCAA O=S(=O)(CC(F)(F)F)N1CCC2(CCNCC2)C1 67714743 STPMQHKRUTUXDU-UHFFFAOYSA-N 286.319 0.954 0 50 CCAA CO[C@@H](C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1)C1CC1 668293929 MROILWHSEBJOHS-QJPTWQEYSA-N 267.325 0.981 0 50 CCAA C[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)O 34455 FIGWKCMUEACGHJ-YFKPBYRVSA-N 287.322 0.443 0 50 CCAA biogenic,in-vitro CO[C@H](C)CS(=O)(=O)Nc1cccc(C(=O)O)c1N 1610225311 OIYSHGUPKKZMQL-SSDOTTSWSA-N 288.325 0.744 0 50 CCAA O=C(c1cnc2[nH]nnc2c1)N1CCC(F)(F)C1 408202138 LICOYAZQQCAUEB-UHFFFAOYSA-N 253.212 0.834 0 50 CCAA CCCc1nc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cs1 217049259 CIIFLDSRHMLSRG-ONGXEEELSA-N 284.381 0.911 0 50 CCAA CCC1CCN(S(=O)(=O)N(C)[C@H](C)C(=O)O)CC1 656514445 CPDVBVMANQKBMH-SECBINFHSA-N 278.374 0.758 0 50 CCAA COCCc1cc(NC(=O)c2cc(C)n[nH]2)n(C)n1 156712183 AWDUIWWMPKSTEY-UHFFFAOYSA-N 263.301 0.893 0 50 CCAA O=C(NC[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 16648944 UOCGAXREDCGFGD-SECBINFHSA-N 273.292 0.832 0 50 CCAA COc1ccc(NC(=O)CN2CCCC[C@@H](O)C2=O)cn1 644244989 NHSAIUGMGIYJAA-LLVKDONJSA-N 293.323 0.402 0 50 CCAA CN1CCO[C@@H](CNC(=O)Cc2cnn3ccccc23)C1 648756106 LAEVWOPAFHFGGX-ZDUSSCGKSA-N 288.351 0.324 0 50 CCAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)CCn1cccn1 263477083 FLVJOETVNAIHHP-GHMZBOCLSA-N 265.313 0.985 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCCNC(=O)C2)c(F)c1 404871171 GCIWFCCHUMPTLM-UHFFFAOYSA-N 286.328 0.645 0 50 CCAA O=C(O)CC[C@H]1CCCCN1C(=O)CN1CCOCC1 426503923 DDPLQYBAKUHXSJ-GFCCVEGCSA-N 284.356 0.565 0 50 CCAA O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2nc[nH]n2)C1 828388895 DIPMIIZDKMYGQA-QMMMGPOBSA-N 282.329 0.096 0 50 CCAA Cc1cc2n(n1)CCN(C(=O)Cn1nnc3ccccc31)C2 2325766598 CMHVQMNDACGIHW-UHFFFAOYSA-N 296.334 0.979 0 50 CCAA CN1C(=O)NCC12CN(C(=O)c1ccc3ccn(C)c3n1)C2 2356147897 WRJAQKDEBMISFN-UHFFFAOYSA-N 299.334 0.423 0 50 CCAA COc1ccccc1NC(=O)C(=O)NCCCO 2902765 XCGSWDYKDHUZGU-UHFFFAOYSA-N 252.270 0.132 0 50 CCAA COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(N)=O 4574734 CQYXMTGMFUMYDK-NSHDSACASA-N 277.349 0.973 0 50 CCAA CCOC(=O)Cc1cc(=O)[nH]c(N2CCN(CC)CC2)n1 9196295 CTDSEEWIPRQETR-UHFFFAOYSA-N 294.355 0.017 0 50 CCAA CNC(=O)CCN(C)c1cc([C@@H]2CCCNC2)nc(C)n1 67934937 RKQOXUFEJOCXTJ-GFCCVEGCSA-N 291.399 0.824 0 50 CCAA O=C(NCc1ccccc1-n1cncn1)c1cn[nH]c1 214967948 ZZVUCRZLJCXCEL-UHFFFAOYSA-N 268.280 0.920 0 50 CCAA O=C(CCn1ccnc1)N1CC(=O)N(CC(F)(F)F)C1 331167902 SZHVXDNMWXFBMN-UHFFFAOYSA-N 290.245 0.464 0 50 CCAA COC(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1 169236 IMLAPXMJROBNSS-UHFFFAOYSA-N 269.322 0.708 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 257366178 MIQXGSLCAFRIKM-XDQVBPFNSA-N 282.384 0.591 0 50 CCAA C[C@H]1CN(c2cc(=O)n(C)c(=O)n2C)C[C@@H](C2CC2)O1 328599275 RDYQMVMVEUWLJU-ONGXEEELSA-N 279.340 0.088 0 50 CCAA CCN(CC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1)C1CC1 328629816 PEYOFBYNAPQWOU-ZDUSSCGKSA-N 291.399 0.709 0 50 CCAA CC[C@@H]1C[C@H]1CNC(=O)N1CCC[C@@](O)(CO)C1 332170765 MNGZUWUGKGTDHB-MDZLAQPJSA-N 256.346 0.561 0 50 CCAA CC(C)Cc1cc(CN2CCOC[C@@H]2CO)[nH]n1 216090206 ULEQEGWWQJNDMK-ZDUSSCGKSA-N 253.346 0.801 0 50 CCAA COC(=O)[C@H]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC 39254851 DEIJHCATUHBNIH-HRDYMLBCSA-N 258.270 0.538 0 50 CCAA C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)C(=O)O 262360339 CPEKEHWHTPVKHD-YFKPBYRVSA-N 298.242 0.852 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1sc(OC)nc1C 71748195 PHECXRLGZKJIES-IUCAKERBSA-N 286.353 0.994 0 50 CCAA NC(=O)N1CCC[C@H](C(=O)N2CC(OC(F)F)C2)C1 335725811 OVIUAHOBFZXDJH-ZETCQYMHSA-N 277.271 0.227 0 50 CCAA CO[C@]1(C)CCCN(C(=O)C2CN(C(C)=O)C2)CC1 336069687 BQVSFQILNUWPFU-CQSZACIVSA-N 268.357 0.882 0 50 CCAA Cc1cc(N(C)C[C@@H](O)CO)n2nc(C)c(C)c2n1 72457214 OMXNULCXVSIHTO-LLVKDONJSA-N 264.329 0.444 0 50 CCAA Cc1ccc(-c2cc(CNC(=O)CNC(N)=O)no2)cc1 223270876 NDCQDTPKYOGRIA-UHFFFAOYSA-N 288.307 0.935 0 50 CCAA CN1CCN2CCN(C(=O)c3ncc(F)cc3F)C[C@@H]2C1 222416372 BVPNCDTVVMTABA-NSHDSACASA-N 296.321 0.432 0 50 CCAA COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@H](C)N(C)C 426552123 ZFLJRXNLJSIJBL-ZDUSSCGKSA-N 296.415 0.962 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)CCc3cncnc3)[C@H]2C1 292568385 XSYVPHCYJJTTIZ-KBPBESRZSA-N 290.367 0.341 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@H]2CCc3c[nH]nc3C2)n1 335898797 HIQNKAIXJRVQDA-LBPRGKRZSA-N 273.340 0.897 0 50 CCAA CC(C)[C@]1(O)CN(C(=O)CCCN2CCOCC2)C[C@H]1C 92098932 GFJUSMJYMSXCFP-GDBMZVCRSA-N 298.427 0.964 0 50 CCAA C[C@H](C(=O)N(C)CCCc1nccn1C)N(C)C 426420117 NYLHTTVSMHZFEP-LLVKDONJSA-N 252.362 0.761 0 50 CCAA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)NCc1nccs1)C2 426484895 UGRKZVQNANNBRM-ZJUUUORDSA-N 294.380 0.953 0 50 CCAA O=C(NCCN1C[C@H]2CCCCN2C1=O)C1CC1 620095845 PZUXVNLIIVFCHJ-LLVKDONJSA-N 251.330 0.803 0 50 CCAA Cc1cnc(CNC(=O)N(C)C[C@@H]2COCCO2)[nH]1 426383164 URXXKVAWQXBSFM-SNVBAGLBSA-N 268.317 0.275 0 50 CCAA COCCN1C[C@@H](C(=O)N(C)Cc2ncc[nH]2)CCC1=O 91973678 ULJQZYQBPFZRJP-NSHDSACASA-N 294.355 0.253 0 50 CCAA CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(CC(C)C)C(=O)[C@H]13)O2 239174533 QERANWHZFLNWOH-FJJYHAOUSA-N 279.336 0.988 0 50 CCAA CC(C)N1CC[C@H](CN(C)CCn2cc[nH]c2=O)C1 252478840 AVTLEBVBJZUWRE-CYBMUJFWSA-N 266.389 0.839 0 50 CCAA Cc1nc(C)c(C(=O)N2CCOC[C@H](C(=O)O)C2)o1 700397848 BQNYYPRAMABWJN-SECBINFHSA-N 268.269 0.465 0 50 CCAA Cc1ccc2[nH]c(CNC(=O)CNC(=O)N(C)C)nc2c1 299797388 NUHPWBQIWSJOMZ-UHFFFAOYSA-N 289.339 0.759 0 50 CCAA CC[C@@H](C)NC(=O)CN1Cc2cnn(CCO)c2C1 299787988 ZODKQRHHOYFKBZ-SNVBAGLBSA-N 266.345 0.106 0 50 CCAA CCS(=O)(=O)N[C@H](C)c1nc(CCOC)no1 824462419 QNLDHMTZTKTKDX-SSDOTTSWSA-N 263.319 0.259 0 50 CCAA Cc1nn(CCNC(=O)NC2CCNCC2)c(C)c1C 828015616 LSFZVLCUNGUGPD-UHFFFAOYSA-N 279.388 0.860 0 50 CCAA Cc1cnc([C@@H](C)NS(=O)(=O)N(C)C(C)C)[nH]1 821724533 OFXPJPXCBMGGTJ-SECBINFHSA-N 260.363 0.954 0 50 CCAA CN1CC[C@](C)(C(=O)NCC2CCN(CCCO)CC2)C1 828752927 RFKIURWRORNBJH-INIZCTEOSA-N 297.443 0.539 0 50 CCAA CCCCS(=O)(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 822880431 NTJPEGFLFUDKMO-STQMWFEESA-N 290.429 0.647 0 50 CCAA CCCC[C@H](NC(=O)c1cc(O)n(C)n1)C(=O)O 585134650 DOHPXYGBDCLCPT-ZETCQYMHSA-N 255.274 0.499 0 50 CCAA CC(C)c1nccn1CCCNC(=O)CCn1cnnn1 670457488 WGFGIKZRJAPIDR-UHFFFAOYSA-N 291.359 0.590 0 50 CCAA O=C(CCCn1cnnn1)N1CCO[C@H](C2CC2)C1 670447517 UQXQHXVVZVIDBE-NSHDSACASA-N 265.317 0.091 0 50 CCAA C[C@H](CN1CCCC1)C(=O)NCCc1ncnn1C 670456258 YPBDVCHERMZPNW-LLVKDONJSA-N 265.361 0.206 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@H]1CC(C2CC2)=NO1 1875376988 PAHDORCYJBPBDY-PGLGOXFNSA-N 251.330 0.775 0 50 CCAA NC(=O)[C@H](O)CNC(=O)c1cccc(CC(F)(F)F)c1 1875329279 OILWBGZESZPGMD-SECBINFHSA-N 290.241 0.367 0 50 CCAA N[C@@H](CN1CCCCC1)C(=O)N1CC[C@@]2(CCNC2)C1 888096409 FVHVOWUDEIYMJH-DZGCQCFKSA-N 280.416 0.012 0 50 CCAA Cc1noc(C[C@@]2(O)CCCN(Cc3cocn3)C2)n1 888076309 XNGAWOMTJZPEJN-ZDUSSCGKSA-N 278.312 0.936 0 50 CCAA C=CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 1356509269 NYAKFCXHGXZYRL-LLVKDONJSA-N 253.346 0.231 0 50 CCAA Cc1ccc(-c2n[nH]cc2CN2C[C@H](N)[C@@H](O)C2)cc1 1565509789 LDYVWFPIFFYOCU-KBPBESRZSA-N 272.352 0.889 0 50 CCAA CCC[C@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1C(=O)O 1565530895 IVUQTOKKSIHBDU-RYUDHWBXSA-N 292.335 0.808 0 50 CCAA O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccccc1 547882792 PJVADEBPQFEUQG-PWSUYJOCSA-N 299.348 0.845 0 50 CCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1cccs1 1074567137 GTKMGDNXHZYKOK-GHYVTOPFSA-N 294.376 0.699 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1nccn(C)c1=O 277124207 ZCYIQCAQKAZCJY-UWVGGRQHSA-N 265.313 0.924 0 50 CCAA Cn1c(=O)nc(O)c2cc(C(=O)N3CCCC3)cnc21 408088722 GZMQHBBJXARLMM-UHFFFAOYSA-N 274.280 0.270 0 50 CCAA Cc1cc(CC(=O)N[C@@H]2CCC(=O)N[C@H]2C)n[nH]1 282114694 HDJIQCUFQULQJZ-WCBMZHEXSA-N 250.302 0.044 0 50 CCAA CO[C@]1(C)C[C@@H](NC(=O)[C@H]2CNCCO2)C1(C)C 187992492 XSEINEUWZIVTDN-GIPNMCIBSA-N 256.346 0.295 0 50 CCAA CCN1CN(C(=O)c2cc(N(C)C)ccn2)CC1=O 190501404 RVKRQZOHWPETGD-UHFFFAOYSA-N 262.313 0.409 0 50 CCAA CNC[C@H]1CCCN(C(=O)c2nc[nH]c3nccc2-3)C1 662391991 NINDLQKZJYCQCP-SNVBAGLBSA-N 273.340 0.981 0 50 CCAA COC[C@@H](C)S(=O)(=O)N1CCO[C@@H](C2CCC2)C1 574057018 UUJDJUVJOPTKOC-ZYHUDNBSSA-N 277.386 0.852 0 50 CCAA Cc1nc(C)c(C)c(N2CC[C@](O)(c3cnn[nH]3)C2)n1 583616650 VJHNHTDPROVXNU-CYBMUJFWSA-N 274.328 0.618 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc3c(c2)COB3O)C(C)(C)CO1 584970562 QFMNRAMLUVZFAR-SNVBAGLBSA-N 289.140 0.544 0 50 CCAA COCCOCCN(C)CCC(=O)NCCc1ccco1 585121779 ZLKRXSHEDYMNFS-UHFFFAOYSA-N 298.383 0.923 0 50 CCAA N[C@H]1CC[C@H](Nc2cncc(C(=O)N3CCOCC3)n2)C1 211269501 AMJJDIZGHXLFPD-QWRGUYRKSA-N 291.355 0.241 0 50 CCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](C1CC1)C(F)(F)F 331821711 CNZZTPIHNVTTEZ-AEJSXWLSSA-N 294.273 0.425 0 50 CCAA CN[C@@H]1CCCN(C(=O)CCN2CCCC2=O)C1 132895565 QMPPDFZCVCJKTI-LLVKDONJSA-N 253.346 0.209 0 50 CCAA Nc1ccn2ncc(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)c2c1 1615616190 XOMVDHGGEGIVAE-JTQLQIEISA-N 299.334 0.410 0 50 CCAA COc1ccc(OC[C@@H](O)CN(C)S(=O)(=O)O)cc1 19809186 LJBCZHMVDVIARO-VIFPVBQESA-N 291.325 0.170 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1ccc(N)c(F)c1 169980604 RCWORAHMXQDUCM-UHFFFAOYSA-N 255.098 0.662 0 50 CCAA Cn1nc(C(=O)O)nc1N1CCN[C@@H](c2ccccc2)C1 1857678809 SAOGELZPDVSZNA-LLVKDONJSA-N 287.323 0.664 0 50 CCAA COc1cc(C(=O)N2CCO[C@H]3C[C@H](CO)C[C@@H]32)ccn1 1857698061 VAKBMDZPCKYSLW-WXHSDQCUSA-N 292.335 0.702 0 50 CCAA O=C(CCOc1ccccc1)N[C@H]1CCO[C@H](CO)[C@H]1O 1857700464 IDVZUMPJLPZQSN-GUTXKFCHSA-N 295.335 0.082 0 50 CCAA Cn1nc(C(=O)NC[C@@H]2C[C@@H]3CC[C@H]2O3)nc1Cl 1857706852 SYCQXNKQWYSQMZ-BIIVOSGPSA-N 270.720 0.766 0 50 CCAA CCc1cc(N2CCN(c3cncc(N)n3)CC2)ncn1 1857711762 LJCARTJEKIAYBH-UHFFFAOYSA-N 285.355 0.738 0 50 CCAA COC(=O)c1ccnc(C(=O)NC[C@H]2CCCO2)c1 408521620 YNKUWHJYUITBJR-SNVBAGLBSA-N 264.281 0.777 0 50 CCAA Cn1nc(C(=O)N2CC(=O)N(C3CC3)C2)cc1C1CC1 329861604 QKBOORNLZPHHGT-UHFFFAOYSA-N 274.324 0.702 0 50 CCAA COc1ccc(CNC(=O)[C@@H]2C[C@H](OC)CN2)cc1F 583617331 RLUMQMDQJPZRTC-JQWIXIFHSA-N 282.315 0.827 0 50 CCAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H](C)O[C@@H](C(=O)O)C1 909896907 XABKXBQAVYXYNK-PRHODGIISA-N 295.339 0.660 0 50 CCAA O=C1CC[C@H](C(=O)NCc2cc(=O)c3ccccc3[nH]2)N1 913749510 RUCUSGPKFMHWBO-GFCCVEGCSA-N 285.303 0.423 0 50 CCAA C[C@@H](NC(=O)N1CCN(C(=O)C2CC2)C1)c1ncnn1C 922162193 ZHWUCEAUKJGHTQ-SECBINFHSA-N 292.343 0.097 0 50 CCAA C[C@]1(C(N)=O)CCN(c2nccnc2Br)C1 1775990524 BSOCEOFNBXEMGH-JTQLQIEISA-N 285.145 0.941 0 50 CCAA CC(=O)N[C@@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)C1 228327121 SCKSUAMROHZFTM-LLVKDONJSA-N 272.308 0.914 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 6697173 KYVVVYQBEFROSA-UHFFFAOYSA-N 268.361 0.892 0 50 CCAA CC(=O)N[C@H](C(=O)N1CCC[C@@H]([C@@H](C)N)C1)C(C)C 156370623 MPJDYXXTFWOFCJ-RTXFEEFZSA-N 269.389 0.733 0 50 CCAA NCCc1ccc(CN2CC[C@H](O)[C@H](CO)C2)cc1 399083699 QLTALQOGBQEYCA-GJZGRUSLSA-N 264.369 0.363 0 50 CCAA Cn1nnc2c1[C@@H](C(=O)NO[C@@H]1CCOC1)CCC2 2325773494 IWVIZWNIWYEIHJ-BDAKNGLRSA-N 266.301 0.072 0 50 CCAA COCC[C@]1(NC(=O)N(C)C2CCNCC2)CCNC1 2325800663 ANMLEBOOMVNHFS-CQSZACIVSA-N 284.404 0.148 0 50 CCAA Cc1cn2nc(C(=O)N3CCc4ocnc4C3)cc2c(=O)[nH]1 2325802301 YJZXNMXTGWFPLQ-UHFFFAOYSA-N 299.290 0.518 0 50 CCAA O=C1NC[C@H]2CN(CCn3c(=O)oc4ccccc43)C[C@@H]12 2356135322 ZCKAEWCNYMGDDC-WDEREUQCSA-N 287.319 0.272 0 50 CCAA CCCN1CCC[C@]2(CCCN2C(=O)CO)C1=O 2356145278 JEROEKPWBGEYII-ZDUSSCGKSA-N 254.330 0.372 0 50 CCAA Cn1ccs/c1=N\C(=O)c1ccc2[nH]c(=O)[nH]c2n1 225802837 GHINLCHLNUHDBC-PTNGSMBKSA-N 275.293 0.392 0 50 CCAA CC(C)NC(=O)c1ccccc1NC(=O)C(=O)O 20199520 PZPAOTPOGHWTFG-UHFFFAOYSA-N 250.254 0.848 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N[C@](C)(CN)CC(C)C 420449579 KIXONSOJZHTKOV-LBPRGKRZSA-N 288.417 0.770 0 50 CCAA O=C(O)c1coc(N2CCC3(CC2)OCCO3)n1 228319564 HALWSSXIWAWQEG-UHFFFAOYSA-N 254.242 0.716 0 50 CCAA Cc1cc(F)cc(C(=O)NC[C@@](C)(O)C(=O)O)c1 136847127 DCMQNWYIEUGUEV-GFCCVEGCSA-N 255.245 0.700 0 50 CCAA Cc1nc([C@@H](C)NC(=O)CN2C[C@H](C)O[C@H](C)C2)n[nH]1 67723883 FPMMAMBVVJXLQN-KXUCPTDWSA-N 281.360 0.400 0 50 CCAA O=C(N[C@@H]1[C@H]2COC[C@H]21)N1CC[C@@H]([C@@H]2CCOC2)C1 332939089 GIESEZAUXHNFBA-KVSVUVNWSA-N 266.341 0.699 0 50 CCAA CN[C@@H]1CCCN(S(=O)(=O)[C@@H](C)CCOC)C1 252523112 BXAGTIKAQLZNEZ-WDEREUQCSA-N 264.391 0.425 0 50 CCAA O=S(=O)(Cc1ccccc1)N1CCN2CCOC[C@@H]2C1 328587353 GLZVZXOEVLWSPR-AWEZNQCLSA-N 296.392 0.533 0 50 CCAA O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN12 8705 SNRTZFZAFBIBJP-LLVKDONJSA-N 298.339 0.821 0 50 CCAA CCN(CC)CC(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1 328621896 IAZJRSHWACVVQG-ZDUSSCGKSA-N 293.415 0.957 0 50 CCAA O=C(O)[C@H]1CN(c2ncccn2)CCN1Cc1cccnc1 71415826 QYLQZSQOSZQLEU-CYBMUJFWSA-N 299.334 0.647 0 50 CCAA O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CCCO1 329779637 MATDEURGUYTDKV-VIFPVBQESA-N 273.314 0.171 0 50 CCAA COc1cc(C(=O)N2CCO[C@H](C)[C@H]2C(=N)O)on1 330600978 YSSRZHPWHHLGPV-MUWHJKNJSA-N 269.257 0.448 0 50 CCAA CCc1c(C)nn(CC(=O)N2CC[C@H](CO)[C@H](O)C2)c1C 72163487 OGEHDOCGLWQNNE-TZMCWYRMSA-N 295.383 0.264 0 50 CCAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(c2cnccn2)C1 284627036 UKDZNDPWRWJJSX-ZJUUUORDSA-N 260.301 0.870 0 50 CCAA Cc1cnc(C(=O)N(C)CCc2cnn(C)c2)cn1 216106539 JEZDNBJPPGIAQG-UHFFFAOYSA-N 259.313 0.833 0 50 CCAA COCCN(C[C@@H]1CCCO1)C(=O)c1cn[nH]c1 215603652 RMEZSXAWOANSGF-NSHDSACASA-N 253.302 0.677 0 50 CCAA Cn1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1 219871929 KGNVGNRURVOHKI-OLZOCXBDSA-N 279.340 0.734 0 50 CCAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1c[nH]c(=O)cn1 77436874 JEWWBNCGPWZSFW-NSHDSACASA-N 292.339 0.243 0 50 CCAA C[C@H]1CCCN(c2cc(NC[C@H](O)CO)ncn2)C1 133463008 HNJAKRQMXDAYSU-QWRGUYRKSA-N 266.345 0.478 0 50 CCAA O=C(c1n[nH]c2ccccc12)N1CCN([C@H]2CCNC2)CC1 262458887 IKALIMIAGMDIOP-LBPRGKRZSA-N 299.378 0.683 0 50 CCAA Cc1cc(N)n(CC(=O)NCc2cc(C3CC3)on2)n1 219541665 HPKJNUCWMYKEOO-UHFFFAOYSA-N 275.312 0.956 0 50 CCAA CC(=O)N[C@H](C(=O)N1CC[C@@H](N)C1)C1CCCC1 132273322 CUHSNWRXOBBSKH-NEPJUHHUSA-N 253.346 0.241 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cc1ccc(F)cc1F 286777583 IZPYYEMFGPZBGG-KOLCDFICSA-N 286.253 0.932 0 50 CCAA CC1(CCCNC(=O)NCCCC[C@H](N)C(=O)O)N=N1 199411347 YGUIFRMUMYTGAV-VIFPVBQESA-N 285.348 0.830 0 50 CCAA O=c1c2cc(F)ccc2ncn1C[C@H]1COCCO1 43016740 SMKSQKAIXDVBCP-JTQLQIEISA-N 264.256 0.951 0 50 CCAA Cc1ccn2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nnc2n1 426627871 XTZNWQWQQGGSOH-AOOOYVTPSA-N 275.312 0.682 0 50 CCAA Cc1csc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1 220463652 BWIXGCGEYRJVOD-RKDXNWHRSA-N 277.367 0.485 0 50 CCAA CNC(=O)[C@@H](C)CNC(=O)c1cnc(-c2ccccn2)nc1 426632874 LJMLDTLJALNQCP-JTQLQIEISA-N 299.334 0.651 0 50 CCAA CCc1nc(C)sc1C(=O)N(C)C[C@H](O)CO 97294976 YFKWACHJXGTYFU-QMMMGPOBSA-N 258.343 0.439 0 50 CCAA CN(C)c1ccc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)cn1 97655516 OGCJTROPOZRXIO-SNVBAGLBSA-N 281.337 0.188 0 50 CCAA CN1CCN2CCN(C(=O)c3ncc(F)cc3F)C[C@H]2C1 243932467 BVPNCDTVVMTABA-LLVKDONJSA-N 296.321 0.432 0 50 CCAA Cc1cnn(CCNC(=O)c2c(C)nc3ncccn23)c1 534640392 WFZZXDNFXCFPEI-UHFFFAOYSA-N 284.323 0.973 0 50 CCAA O=C(c1ccccn1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299789167 SBMAVNPNUMGVGG-QWHCGFSZSA-N 285.307 0.659 0 50 CCAA Cc1csc2c(=O)n(C[C@@H]3CN(C)C(=O)CO3)cnc12 584891221 AJNFLTBUKQKPBG-VIFPVBQESA-N 293.348 0.624 0 50 CCAA CC[C@@](O)(CCCO)CNC(=O)c1nc(C)c[nH]1 584899958 TYOMASHTOWIVTL-GFCCVEGCSA-N 255.318 0.362 0 50 CCAA Cc1cccnc1C(=O)NC[C@](C)(O)CCCO 584884343 YYBADNDMYGATAB-CYBMUJFWSA-N 252.314 0.643 0 50 CCAA CCCCn1ncnc1[C@H]1[C@@H]2C=C[C@@]3(CN(C)C(=O)[C@@H]13)O2 670472806 OFTAUBLAKPMZGR-OHTBPHCPSA-N 288.351 0.957 0 50 CCAA NC(=O)c1cccnc1NCCN1CCC[C@H](CO)C1 670440178 ZURYULRYYNUOPB-NSHDSACASA-N 278.356 0.297 0 50 CCAA CCn1nccc1C(=O)N[C@H]1CCO[C@H]1c1n[nH]c(C)n1 685943168 XFWWQGVAOHGAIU-GXSJLCMTSA-N 290.327 0.590 0 50 CCAA N[C@H]1COC[C@H]1Oc1cnn(Cc2ncc(C3CC3)o2)c1 685942664 LELSEEXONQMJHR-WCQYABFASA-N 290.323 0.902 0 50 CCAA Cc1cccc(-n2cc(C(=O)NS(C)(=O)=O)nn2)c1 1875390314 SDBHECJEIZQPQT-UHFFFAOYSA-N 280.309 0.265 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1 1875311749 MEXCWBMDRQZKQT-RPTYSRGTSA-N 296.367 0.726 0 50 CCAA C[C@]12CN(C(=O)C3=NNC(=O)C3)C[C@H]1[C@H]1C=C[C@@H]2C1 1875271836 XTHNDCBNGCGAHH-AEISUSGSSA-N 259.309 0.533 0 50 CCAA COC1(C(F)(F)CNC(=O)c2ncc[nH]2)CCOCC1 1875296704 KDZTXTYNNILJPY-UHFFFAOYSA-N 289.282 0.970 0 50 CCAA COc1cc(C)nc(N(C)CCc2nccc(O)n2)n1 1875287815 AKXRVXPTHONSLH-UHFFFAOYSA-N 275.312 0.968 0 50 CCAA Cc1cc(N2CC[C@@H](n3cc([C@H](C)O)nn3)C2=O)n(C)n1 881330379 PPEYGAFVHUPRHZ-GXSJLCMTSA-N 290.327 0.351 0 50 CCAA Cc1cc(C)n(C[C@H](C)NC(=O)Cn2nc(C)cc2N)n1 952973011 XRQPXORAYNBUQL-NSHDSACASA-N 290.371 0.792 0 50 CCAA Cc1ccc(CC(=O)N2CC[C@H](CS(N)(=O)=O)C2)o1 885297936 NNWIXMKJBKTLHE-JTQLQIEISA-N 286.353 0.268 0 50 CCAA C=CS(=O)(=O)CCN1CC(=O)N[C@H]2CCCC[C@H]21 1775994432 MJJRMFWBSWKEJW-WDEREUQCSA-N 272.370 0.288 0 50 CCAA COC[C@@H]1CCC[C@@H]1NC(=O)c1cnc(N)nc1C 1565516165 RVCHIHRZKQPHPR-ONGXEEELSA-N 264.329 0.912 0 50 CCAA CCC[C@]1(C)C(=O)NCCN1Cc1ccn(C)n1 275402080 IXNFKUJCHCCUKD-CYBMUJFWSA-N 250.346 0.911 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2ccc[nH]2)[C@H]2CCO[C@H]21 1074572962 IJABWEAUEAGKBM-LLHIFLOGSA-N 250.298 0.794 0 50 CCAA CN(C)c1n[nH]c(CNC(=O)N2C[C@@H]3COC[C@]3(C)C2)n1 637789827 ZLSFEABCUDTEOM-RNCFNFMXSA-N 294.359 0.049 0 50 CCAA CC(=O)[C@@](C)(O)Cn1cc(CC2(O)CCCCC2)nn1 641217313 MDEMAMYQIKMCEE-ZDUSSCGKSA-N 281.356 0.856 0 50 CCAA NC(=O)C[C@]1(O)CCCN(Cc2cnc(C3CC3)nc2)C1 643748147 ZVURBGBIBYXZBR-OAHLLOKOSA-N 290.367 0.556 0 50 CCAA CCc1[nH]ccc1C(=O)N1CCC[C@@](O)(CC(=O)NC)C1 644033469 UDNKXEQHXSFDDZ-OAHLLOKOSA-N 293.367 0.680 0 50 CCAA CN(C(=O)[C@@H]1CCc2nnnn2CC1)c1cnn(C)c1 570520568 ZGBXCFWRYJFLKN-SECBINFHSA-N 275.316 0.022 0 50 CCAA CO[C@@H](C)c1nnc(NC(=O)CN2CCOC2=O)s1 1506397154 ZTIPNQWYHHJJCL-LURJTMIESA-N 286.313 0.636 0 50 CCAA O=C(CN1CCCCC1=O)Nc1cnn2c1NCCC2 1506421231 NQBOAEQATBZKRK-UHFFFAOYSA-N 277.328 0.650 0 50 CCAA O[C@@H]1CN(Cc2cncnc2)C[C@H]1Cc1cnccn1 1529169280 SUYVTJHVIISQOV-TZMCWYRMSA-N 271.324 0.302 0 50 CCAA CCOc1ccc(Cc2nnnn2CC(=O)O)cc1 492660 FKHRGXIXUNHVBO-UHFFFAOYSA-N 262.269 0.747 0 50 CCAA Cc1noc(C)c1CC(=O)N1C[C@@H](F)C[C@H]1CO 334417506 OODCJCYQCSVCTM-UWVGGRQHSA-N 256.277 0.765 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCc2cccnc2)CC[C@@H]1O 1704313897 NIEIFNQWNSTRMW-FRRDWIJNSA-N 264.325 0.874 0 50 CCAA CCc1cnc(N)nc1N[C@@H]1CCS(=O)(=O)C1 1704313244 IYELUSRAFGLXLF-MRVPVSSYSA-N 256.331 0.220 0 50 CCAA O=c1c2ccncc2ncn1C[C@H](O)C(F)(F)F 158518252 QMCCDQIBTMIVGN-QMMMGPOBSA-N 259.187 0.715 0 50 CCAA CC(C)(NC(=O)c1cc(CO)on1)[C@@H](O)C(F)(F)F 1615548021 KNAJBKXVXGAQRE-MRVPVSSYSA-N 282.218 0.599 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1ccc(CC(=O)O)cc1 169980589 KNOMNWUCVSSEHI-UHFFFAOYSA-N 280.129 0.567 0 50 CCAA O=C(O)c1cccc(CN2C[C@H]3[C@H](C2)C3(CO)CO)c1 1857703410 LGAXETMTQDOIKR-STQMWFEESA-N 277.320 0.417 0 50 CCAA O=C(NCc1nnc2n1CCC2)[C@@H]1CCn2nccc2C1 1857709110 GCGWQMSVLUHYFF-SNVBAGLBSA-N 286.339 0.300 0 50 CCAA O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCOC[C@@H]1O 629229607 QZLSZZWFGIOJMQ-QWRGUYRKSA-N 279.292 0.224 0 50 CCAA CCN1CC[C@H]2OCCN(C(=O)Cc3cc(C)on3)[C@H]2C1 329556206 QHASBQQTYFBIHD-UONOGXRCSA-N 293.367 0.847 0 50 CCAA Cn1cc(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)cn1 236082772 JDIZCXYKYROQID-MNOVXSKESA-N 265.313 0.580 0 50 CCAA C[C@@H](C(=O)N[C@@H](Cc1ccncc1)C(=O)O)n1cncn1 655597162 NZGLYIDRHJDYQB-ONGXEEELSA-N 289.295 0.046 0 50 CCAA Cc1nonc1CC(=O)N1CC[C@@H](O)CC12CCC2 846267486 SFNFUKINRZHNJR-SNVBAGLBSA-N 265.313 0.827 0 50 CCAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1cccc(O)c1)C2 1704305979 YLWRNIHGOMGSJP-OLZOCXBDSA-N 276.336 0.681 0 50 CCAA O=C(CCc1ccncc1)N1CCC([C@H](O)CO)CC1 1772707217 WXHFJGKJFRURDY-CQSZACIVSA-N 278.352 0.606 0 50 CCAA C[C@](O)(CNC(=O)c1cccc2nc(CO)[nH]c12)C1CC1 857841654 UQARFKILUZTGOP-HNNXBMFYSA-N 289.335 0.946 0 50 CCAA Cc1ccc(C(=O)O)c(NC[C@@H]2CN(C)CCN2C)n1 68810386 GNJQWYVTKVLXLY-LLVKDONJSA-N 278.356 0.746 0 50 CCAA O=C(C[C@H]1COCCN1)N1CCC(c2ncc[nH]2)CC1 72478951 LFMMIYDUCQRGRY-LBPRGKRZSA-N 278.356 0.494 0 50 CCAA Cc1cc(C(=O)NC[C@@](C)(O)C(F)(F)F)nn1C 330510468 JPNJXJZFMSAJMW-SECBINFHSA-N 265.235 0.772 0 50 CCAA O=C(N[C@H]1CS[C@H](C(=O)O)C1=O)c1ccccc1 191740 TUQYCYZBIRJGAQ-WPRPVWTQSA-N 265.290 0.554 0 50 CCAA Cc1noc(C)c1CCC(=O)N1C[C@@H]2CNC(=O)[C@@H]2C1 2356163414 ZYXAVNNKCDFPCV-CMPLNLGQSA-N 277.324 0.428 0 50 CCAA C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccccc1 8714444 YSKRMSKLOVLPON-JTQLQIEISA-N 266.326 0.645 0 50 CCAA CC(C)N1CC[C@@H](NS(=O)(=O)c2cccnc2)C1=O 114743357 AUIXIMMUKUBOSV-LLVKDONJSA-N 283.353 0.369 0 50 CCAA CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cnn(C)c1 247166169 QUMARUPNGVWXME-NEPJUHHUSA-N 298.412 0.667 0 50 CCAA CC[C@H]1CC[C@@H](C(=O)N2CCc3c(ncn(C)c3=O)C2)O1 328644825 ZKNMXKAMUWMGTE-GWCFXTLKSA-N 291.351 0.623 0 50 CCAA CCn1cnnc1[C@@H]1CCCN(Cc2cnnn2C)C1 329185740 POOUYWPYGOVUHK-LLVKDONJSA-N 275.360 0.806 0 50 CCAA O=C(CC[C@H]1CCCO1)N1CCO[C@@H](c2ncon2)C1 329983551 BGXXKTRLJLJSCT-GHMZBOCLSA-N 281.312 0.929 0 50 CCAA O=c1[nH]cnc2n[nH]c(I)c12 71791112 QRPSHVZPGWTSDC-UHFFFAOYSA-N 262.010 0.251 0 50 CCAA CO[C@H]1C[C@@H](CN(C)Cc2noc(C)n2)N(C)C1 330570972 YICJGWZHPBXWKA-QWRGUYRKSA-N 254.334 0.529 0 50 CCAA Cc1cnn(CC(=O)N2CCC[C@@](O)(C(=N)O)C2)c1 330583737 SYKIPVYAACSDLY-LBPRGKRZSA-N 266.301 0.080 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)CCc2ccoc2)C1 330570934 YEGWWFIXNMGDJS-NWDGAFQWSA-N 253.298 0.820 0 50 CCAA CCn1ncnc1CNS(=O)(=O)c1c(C)noc1C 331120392 MKSBSIKVRKFAFT-UHFFFAOYSA-N 285.329 0.381 0 50 CCAA Cc1cc(CS(=O)(=O)N(C2CC2)C2COC2)on1 333753677 YFNCNXJJAKYZAE-UHFFFAOYSA-N 272.326 0.676 0 50 CCAA COc1ccncc1NC(=O)[C@]1(C)CCCNC1=O 365184802 UBAVAORCKFJMKG-CYBMUJFWSA-N 263.297 0.945 0 50 CCAA C[C@@H]1C[C@H](NC(=O)c2csc(CN)n2)CN1C1CC1 237591697 KAAHBIRPANVUOL-BDAKNGLRSA-N 280.397 0.957 0 50 CCAA Cc1nn(C)c(Cl)c1C(=O)N1CC[C@H](C(=O)O)C1 237730622 YCDKLJOSQMLZLX-ZETCQYMHSA-N 271.704 0.929 0 50 CCAA COc1ccc([C@@H](O)C(=O)NCc2ccncn2)cc1 216461159 KPHREWVXELCEFG-CYBMUJFWSA-N 273.292 0.835 0 50 CCAA CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 372729705 XCQWPBRVAICESW-SECBINFHSA-N 298.368 0.051 0 50 CCAA Cc1cc(C(=O)NCc2nc(C(N)=O)no2)c(C)o1 219723846 DEHBMYBILHRMGC-UHFFFAOYSA-N 264.241 0.308 0 50 CCAA CC(C)n1cc(C(=O)NC[C@]2(O)CCCNCC2)cn1 72153935 PGJZKMIMEYVVEO-AWEZNQCLSA-N 280.372 0.698 0 50 CCAA COCCN(C(=O)/C=C/CN(C)C)[C@@H]1CCO[C@H]1C 493548593 GOJVQULIKCEIJW-JQSFKPKSSA-N 270.373 0.757 0 50 CCAA CNS(=O)(=O)c1ccc(CN2CC[C@H](CN)C2)cc1 71746763 BRZQISBQRQIZPI-GFCCVEGCSA-N 283.397 0.375 0 50 CCAA CCSCCCNC(=O)N[C@H]1CC[S@@](=O)C1 241774107 RNBVWLMSOSVNOL-XXFAHNHDSA-N 264.416 0.950 0 50 CCAA CC(C)[C@@](C)(O)CNC(=O)c1cc(C(=O)O)ccn1 263427633 RQFXFKDSJAJVAI-ZDUSSCGKSA-N 266.297 0.917 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N[C@H]1C[C@@H]2OCC[C@H]12 223636575 VJLOLLBEVWUQRE-USWWRNFRSA-N 276.340 0.758 0 50 CCAA Cc1cc(C)n(C2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)n1 426615190 REEZACGVQOCSFN-LLVKDONJSA-N 297.380 0.318 0 50 CCAA O=c1c2cc(F)ccc2ncn1CCN1CCOCC1 43135924 ZZOHQMMZJZIKNJ-UHFFFAOYSA-N 277.299 0.868 0 50 CCAA Cc1nn(C)c(Cl)c1C(=O)N(C)[C@@H]1CCNC1 179101311 FTHLRWLPUMKAAB-MRVPVSSYSA-N 256.737 0.816 0 50 CCAA CN(CCc1cnn(C)c1)C(=O)[C@@]1(C)CCCO1 426510578 DBRUGDOOAAAKHM-CYBMUJFWSA-N 251.330 0.990 0 50 CCAA O=C(CN1CCC[C@H](N2CCCC2)C1)NC[C@H]1CCCO1 239637093 BIUBMAKKWXACDL-LSDHHAIUSA-N 295.427 0.842 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@](C)(C(=O)O)C1 299746305 WOCFWBJJTQVKQA-MJVIPROJSA-N 285.340 0.894 0 50 CCAA CC[C@H](N)C(=O)N1CCC[C@H](Cn2ccnn2)C1 299749828 LUVHHPRUENYUPY-QWRGUYRKSA-N 251.334 0.254 0 50 CCAA CC(C)=CCN1CCC[C@H](n2cnc(C(N)=O)n2)C1 299750167 MRDDIVNDIRAUBG-NSHDSACASA-N 263.345 0.980 0 50 CCAA COC[C@@H](NC(=O)Cc1nonc1C)c1ccccn1 534666197 MRXHGFUGOTVNPO-GFCCVEGCSA-N 276.296 0.819 0 50 CCAA COCc1noc(CNS(=O)(=O)CC2CCCC2)n1 534643533 MDPIOHWUQBIQOG-UHFFFAOYSA-N 289.357 0.826 0 50 CCAA C[C@H](CNS(=O)(=O)C1CC1)NCCc1ncc[nH]1 534644682 CTQYFBJUITVHSI-SECBINFHSA-N 272.374 0.012 0 50 CCAA CCCc1nc(CNS(=O)(=O)N(C)C)cs1 534644730 QVLICQSGIUXRRT-UHFFFAOYSA-N 263.388 0.992 0 50 CCAA CO[C@H](C)c1noc(CN(C)C(=O)[C@H]2C[C@H]2C(=O)O)n1 268943120 LCCUCYJAZHNEQQ-GJMOJQLCSA-N 283.284 0.456 0 50 CCAA CC(C)(C)OC(=O)NC1(C(=O)O)CC(C(=O)O)C1 399726098 OGMUHTKXSDCIBN-UHFFFAOYSA-N 259.258 0.829 0 50 CCAA CN1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 645383964 BHWHMHGFEOZTGO-UHFFFAOYSA-N 266.320 0.917 0 50 CCAA COc1cc(NCCCN2CCCC[C@H]2CO)nc(N)n1 828710792 FPEKJHSEVUMFGJ-NSHDSACASA-N 295.387 0.716 0 50 CCAA COC(=O)N[C@@H](C)C(=O)N1Cc2nc(C)nc(O)c2C1 670473368 IBRFZAFKXQCOHC-LURJTMIESA-N 280.284 0.077 0 50 CCAA COC1CC(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)C1 685942547 SLCFCTKVADIPDL-CHCPCTANSA-N 281.312 0.097 0 50 CCAA Cc1ncc(C(=O)N2CC[C@H]([C@@H](F)C(=O)O)C2)c(C)n1 1548600646 QIBZSQUQUMKTPS-GXSJLCMTSA-N 281.287 0.978 0 50 CCAA Cc1nccn1C[C@H](C)CNC(=O)[C@@H]1CCCN(C)C1=O 871596521 MWVRXNFNUHSVRL-YPMHNXCESA-N 292.383 0.812 0 50 CCAA C[C@@]1(CC(=O)N2CCC[C@@H](C(=O)O)C2)CCNC1 1875290908 IALKIKXGLUXYQO-MFKMUULPSA-N 254.330 0.699 0 50 CCAA CN1CC[C@H](CNC(=O)N=c2nc(C3CC3)[nH]s2)C1=O 1875271547 ZNLHODJQRWENFM-MRVPVSSYSA-N 295.368 0.437 0 50 CCAA CCN(c1cccnc1)S(=O)(=O)C[C@H]1COCCO1 1875289898 XBTMRCWCVLUWHG-GFCCVEGCSA-N 286.353 0.653 0 50 CCAA N[C@H](C(=O)NC[C@H]1CCNC1)[C@@H]1CCc2ccccc21 1875349392 VNHAZMHDNIHIKU-GLQYFDAESA-N 273.380 0.769 0 50 CCAA COC[C@@H]1COCCN1C(=O)c1cnn2c1CCCC2 886869442 ZCWBRUXGDQJHRG-LLVKDONJSA-N 279.340 0.707 0 50 CCAA COC[C@H](C)C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 275966956 NGDXXEWYCNZONL-STQMWFEESA-N 292.383 0.792 0 50 CCAA Cn1ccc2ccc(NC(=O)CN3CC(=O)NC3=O)cc21 169992575 KBHAOLOKJLBELC-UHFFFAOYSA-N 286.291 0.669 0 50 CCAA CCc1nnsc1C(=O)N1C[C@H](C)O[C@H](COC)C1 170603515 AERNCTMCQJDKAH-IUCAKERBSA-N 285.369 0.976 0 50 CCAA CCCCS(=O)(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 189194662 KIFCIMDJWJVEQR-NWDGAFQWSA-N 287.385 0.970 0 50 CCAA CCNc1ncc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cn1 91426872 FTFRMNBKGGSBTR-VIFPVBQESA-N 298.368 0.073 0 50 CCAA OC[C@@H]1CCCCN1CCN=c1cc[nH]cc1F 1529185589 OEQQRLSBDRQXGY-NSHDSACASA-N 253.321 0.901 0 50 CCAA Cc1nnc(N2C[C@@H](C(=O)NCC(C)C)CC2=O)s1 1857712365 WKTFORPBIWVIDD-VIFPVBQESA-N 282.369 0.972 0 50 CCAA OC[C@H]1C[C@@H](CO)[C@H]2CN(Cc3nccs3)C[C@@H]12 1857727317 PUBOXYQTJLNEOV-IWDIQUIJSA-N 268.382 0.812 0 50 CCAA Cc1occc1C(=O)N1CCC[C@](O)(C(N)=O)C1 311199214 JPFHMCYBEIOVKO-GFCCVEGCSA-N 252.270 0.040 0 50 CCAA CC[C@@H](CO)NCc1ccc(OCC(N)=O)cc1 4644049 QRCWNKPBMWAEAE-NSHDSACASA-N 252.314 0.411 0 50 CCAA CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)O)C1 725239343 MTWJUQPGZFPQIG-UHFFFAOYSA-N 267.228 0.688 0 50 CCAA O=C(NCCc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 330589636 NLJWCYDKXIYBPH-LLVKDONJSA-N 283.349 0.486 0 50 CCAA O=C(NC[C@H]1CCCCO1)[C@@H]1COCCN1CC(F)F 332849875 UYTPRKLTXPYEMU-MNOVXSKESA-N 292.326 0.638 0 50 CCAA Cc1c(C2=NC3(CCC(C)CC3)ON2)c(O)nc(=O)n1C 1615614439 GHPVUPJNDAUCEC-UHFFFAOYSA-N 292.339 0.982 0 50 CCAA Cc1ccoc1C(=O)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772708303 ASLOLXFDKBDWRI-AOOOYVTPSA-N 251.282 0.261 0 50 CCAA CC(=O)c1ccc(N2CC[C@@]3(CNC(=O)CO3)C2)nc1 1772815719 UOEILGJITMRSMX-CQSZACIVSA-N 275.308 0.380 0 50 CCAA CS(=O)(=O)N1C[C@H](C(=O)O)Oc2ccccc21 13534126 IRHUTUSIVLDLCK-SECBINFHSA-N 257.267 0.298 0 50 CCAA Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 19211911 CLFKGZNVORYRJW-UHFFFAOYSA-N 284.381 0.606 0 50 CCAA O=C(OCCCN1CCOCC1)c1ccc(O)cc1O 19293121 IVDLOMIRVILAFQ-UHFFFAOYSA-N 281.308 0.977 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(O)c1)C2 1875245414 YRGGHIPRPPXDRC-PWSUYJOCSA-N 277.324 0.190 0 50 CCAA CCOCCCC(=O)Nc1cnc(C(N)=O)s1 904217512 JDDBWPIUVWTHSO-UHFFFAOYSA-N 257.315 0.997 0 50 CCAA O=S(=O)(c1cncc(F)c1)N1CC[C@@H]2CNC[C@H]2C1 261608318 RVDCAIGAQXLOMI-ZJUUUORDSA-N 285.344 0.451 0 50 CCAA C[C@H](CN(C(=O)c1cccn(C)c1=O)C1CC1)C(=O)O 262982346 RGYJAJANBFWMBL-SECBINFHSA-N 278.308 0.711 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2CC[C@H](C1)N2 82161695 BECMBJHTXVWLIB-BETUJISGSA-N 276.384 0.932 0 50 CCAA COCC1(CNC(=O)c2cc(N)n[nH]2)CCCC1 534643564 BKYZDTLSUZTWSL-UHFFFAOYSA-N 252.318 0.929 0 50 CCAA Cc1csc(CN(C)Cc2cc(=O)n3[nH]cnc3n2)n1 334159617 PNUAMVCSVOJJRQ-UHFFFAOYSA-N 290.352 0.815 0 50 CCAA O=S(=O)(Cc1ccccc1F)N1CC[C@H]2CNC[C@H]21 367832728 PHKQUNGVMAPKGY-GXFFZTMASA-N 284.356 0.949 0 50 CCAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCCC1 800447 VGWCGEKFEKMRRN-UHFFFAOYSA-N 294.332 0.454 0 50 CCAA CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 4149164 SWOPZHFNBBRAPX-LLVKDONJSA-N 276.402 0.964 0 50 CCAA CC(C)(C)[C@]1(c2ccccc2)NC(=O)N(CC(N)=O)C1=O 4511966 XUNDBLBBNDXKLR-OAHLLOKOSA-N 289.335 0.965 0 50 CCAA Cc1cc(NS(=O)(=O)c2cn(C)nc2C)no1 6706446 YYBLIQRCEVBLCN-UHFFFAOYSA-N 256.287 0.826 0 50 CCAA Cc1ccc2c(c1)/C(=C1/NC(=S)NC1=O)C(=O)N2C 100259613 UEPPATMSSILKLJ-KTKRTIGZSA-N 273.317 0.687 0 50 CCAA C[C@@H](C(=O)NCCCn1ccccc1=O)n1ccnc1 66959436 TVFODPOFVKYAHF-LBPRGKRZSA-N 274.324 0.812 0 50 CCAA CNc1ccccc1C(=O)N[C@@H]1C[C@@H](C(=O)OC)N(C)C1 65396072 SNNKUIYOKYSJJK-MFKMUULPSA-N 291.351 0.704 0 50 CCAA COCCOCCOCCOCCCC(=O)OC 124673042 XIAKKRXIAOWIKK-UHFFFAOYSA-N 264.318 0.636 0 50 CCAA CCC[C@@](C)(O)C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328618686 DXEYJNGCOGOVOZ-SMDDNHRTSA-N 280.372 0.776 0 50 CCAA CCCc1occc1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 253394717 AMOQOSRQKVXPGH-DGCLKSJQSA-N 292.335 0.962 0 50 CCAA COc1ccc(NC(=O)CSc2nnnn2C)cc1 381351 DBZBKQBOWQFSFL-UHFFFAOYSA-N 279.325 0.950 0 50 CCAA COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 35577671 WLKJUMSIGXLLAS-UHFFFAOYSA-N 270.354 0.631 0 50 CCAA CCN1CC[C@H]2OCCN(C(=O)c3cnns3)[C@H]2C1 329543667 OCLYDAAJWBXXEK-VHSXEESVSA-N 282.369 0.473 0 50 CCAA O=C(O)C1(C(=O)NCCCn2cccn2)CCC1 127974914 XSIBNAXPUTVGMB-UHFFFAOYSA-N 251.286 0.644 0 50 CCAA O=C(O)[C@H]1C[C@@H](O)CCN1Cc1cccc(O)c1 65394511 VRTNVLTYZUXVCW-NWDGAFQWSA-N 251.282 0.802 0 50 CCAA Cc1cc(CS(=O)(=O)N2CCC[C@H](C(=O)O)C2)on1 262547441 SIUGTQZPCWXYMC-VIFPVBQESA-N 288.325 0.609 0 50 CCAA CCCc1nnc(C(=O)N2Cc3cnn(CCO)c3C2)o1 71721595 SODXUQCNIGYJEA-UHFFFAOYSA-N 291.311 0.367 0 50 CCAA O=C(O)[C@H]1CN(C(=O)Cc2cccs2)CCO1 43700441 KFNFXXFGAGIPRI-SECBINFHSA-N 255.295 0.603 0 50 CCAA Cc1nc(C(=O)N2CCO[C@@]3(CCCOC3)C2)c[nH]1 286137413 ZDULXUHMYMZAPR-ZDUSSCGKSA-N 265.313 0.740 0 50 CCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cnc(C2CC2)nc1 616777053 TVLPWHOOSYQLBS-YNEHKIRRSA-N 299.334 0.655 0 50 CCAA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1cc[nH]c1 223732561 OHDQYDPDQDRKLZ-OLZOCXBDSA-N 281.356 0.480 0 50 CCAA C[C@@H](O)C(=O)NCCc1nc(Cc2ccccc2)no1 221302226 VTWNMDFHKCPKLM-SNVBAGLBSA-N 275.308 0.700 0 50 CCAA Cc1nccnc1C(=O)NC[C@H]1CCc2nccn2C1 613727678 JBHANSSFENRVMU-LLVKDONJSA-N 271.324 0.974 0 50 CCAA Cc1cccnc1CCNC(=O)N(C)C[C@@H]1COCCO1 426445154 SWYIAKRJSZJIOQ-CYBMUJFWSA-N 293.367 0.989 0 50 CCAA C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)CCc1cn(C)nn1 614724705 LEARPZKUESKYDH-GXTWGEPZSA-N 291.399 0.833 0 50 CCAA CN[C@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 178596407 MKMZPLLHFPVRNA-UONOGXRCSA-N 261.369 0.939 0 50 CCAA Cc1nccn1CC1CCN(C[C@@H](O)CO)CC1 97179389 BHCJVSNMMNAXQT-CYBMUJFWSA-N 253.346 0.257 0 50 CCAA COCC[C@]1(CO)CCCN(Cc2nnc(C)n2C)C1 91859417 HOJOVMVQKWKUAB-CQSZACIVSA-N 282.388 0.735 0 50 CCAA CS(=O)(=O)CCc1nc(C2CCOCC2)n[nH]1 97569003 AYOIXSQNAMQIQF-UHFFFAOYSA-N 259.331 0.286 0 50 CCAA CC[C@@]1(C(=O)O)CCCN(C(=O)CN(C)CCOC)C1 91519032 VFEPMQXBOLCOMK-CQSZACIVSA-N 286.372 0.668 0 50 CCAA CCc1cc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3O)ccn1 91321632 UPWZDEZDWBHKRF-OKILXGFUSA-N 290.363 0.992 0 50 CCAA Cc1nnc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)o1 92066872 BYEMZAWHSCVDSJ-VIFPVBQESA-N 280.328 0.641 0 50 CCAA N#Cc1c[nH]c(C(=O)N2CCC[C@H]2Cn2ccnn2)c1 299740951 CHZBCBIRCOSCQF-NSHDSACASA-N 270.296 0.783 0 50 CCAA CCNc1nc(=O)n([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)cc1C 253471481 TXRRVNODEOVMHL-BBBLOLIVSA-N 294.315 0.942 0 50 CCAA CN(C)C[C@@H](O)CNC(=O)C1(N2CCCC2)CCCC1 534652406 HXNPWSUJQAZRLQ-ZDUSSCGKSA-N 283.416 0.434 0 50 CCAA Cc1nn(C)c(C)c1CNS(=O)(=O)N1CCC[C@H]1C 185033979 GNVZUDVHYUVAGM-SECBINFHSA-N 286.401 0.856 0 50 CCAA CC(C)N1C[C@@H](CNc2ccc(C(N)=O)cn2)CC1=O 821735045 COEFCVGABTUMAS-SNVBAGLBSA-N 276.340 0.849 0 50 CCAA COCCC(=O)NCC[C@H](C)N1CCN(C)CC1 824371968 LIPXLMSXVBLYAN-LBPRGKRZSA-N 257.378 0.165 0 50 CCAA COc1cccc2c(=O)n(C[C@@](C)(O)CCCO)cnc12 584901761 PWTXKTHFEWWEFL-HNNXBMFYSA-N 292.335 0.929 0 50 CCAA CNC(=O)[C@@H]1CCN(c2ncc(F)c(OC)n2)C1 670471639 PGHMEGZOAWEWGQ-SSDOTTSWSA-N 254.265 0.197 0 50 CCAA COc1cccc2ncn([C@@H]3CCNC[C@H]3O)c(=O)c12 670452966 OZTBDHLEFZTTRV-GHMZBOCLSA-N 275.308 0.300 0 50 CCAA Cc1cccc(=O)n1CCCn1cnc2nccnc2c1=O 584895519 XRRVSOWIOPSSQX-UHFFFAOYSA-N 297.318 0.747 0 50 CCAA CCc1nc(CN2CCC3(CC2)CN(C)C(=O)CO3)no1 670421762 UCJJRHBGYLSWMC-UHFFFAOYSA-N 294.355 0.455 0 50 CCAA CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2cocc2C)C1 685941382 WFSTUMPNFZXHFN-ONGXEEELSA-N 294.307 0.639 0 50 CCAA CCc1noc(C(=O)N2CCC(N3CCOCC3)CC2)n1 1875282720 PSAQMSQSPRTMLH-UHFFFAOYSA-N 294.355 0.569 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cc2c([nH]1)CCCC2=O 1875333240 KCFMPNIIZRTDGB-ZZXKWVIFSA-N 276.292 0.993 0 50 CCAA Cn1cncc1[C@H](N)C1(O)CN(C(=O)OC(C)(C)C)C1 958527852 GQHBUANZHRCXFL-JTQLQIEISA-N 282.344 0.402 0 50 CCAA Cc1cc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)no1 888094185 DIWTXNSDGBYQJJ-NWDGAFQWSA-N 292.295 0.293 0 50 CCAA O=C1NCc2ccc(C(=O)NCCN3CCC3)cc2N1 1776006044 LQLYBOLXHXPJKQ-UHFFFAOYSA-N 274.324 0.757 0 50 CCAA CS(=O)(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565525543 UVZDULLMQHHKQO-UWVGGRQHSA-N 292.382 0.366 0 50 CCAA COc1ccc(C2(C(=O)N[C@H]3CCOC[C@@H]3O)CC2)cc1 1565528180 MKLAKLKWUPIYAF-KBPBESRZSA-N 291.347 0.993 0 50 CCAA CC(C)(C)N1C[C@@H](NC(=O)c2cncnc2)CC1=O 273699499 JCQDHVXMIFIOCV-JTQLQIEISA-N 262.313 0.606 0 50 CCAA C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)CNC(=O)CN 274451152 SHVOHWRIPFCTLA-OCCSQVGLSA-N 289.379 0.541 0 50 CCAA CN1CC[C@](C)(C(=O)N[C@@H]2CCCn3nccc32)C1=O 636370891 BXWWEEXKALGCKW-QMTHXVAHSA-N 276.340 0.703 0 50 CCAA CO[C@@H]1C[C@H](N[C@H]2CCCS(=O)(=O)C2)C1(C)C 300414960 PUSVLQCDAVTFAM-GARJFASQSA-N 261.387 0.967 0 50 CCAA O=C(COC[C@H]1CCCO1)N1CCO[C@@H]1C(F)(F)F 585125029 DPGMFPSJMBKIDB-PSASIEDQSA-N 283.246 0.929 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCS[C@H]1C(F)(F)F 585125914 INPHWODTQCUCPN-ZETCQYMHSA-N 291.316 0.885 0 50 CCAA NC(=O)c1c[nH]c(C(=O)N2CCOCC23CCC3)c1 408420815 ANKRKKMTHQVVBV-UHFFFAOYSA-N 263.297 0.509 0 50 CCAA O=C(NS(=O)(=O)C1COC1)c1ccc(Cl)s1 408475388 DQPHSXAIBKLJDV-UHFFFAOYSA-N 281.742 0.860 0 50 CCAA CC(C)N(CC(N)=O)Cc1ccc(N(C)C)nc1 408513746 VTCLMMYYIPRXRC-UHFFFAOYSA-N 250.346 0.843 0 50 CCAA C[C@H]1COC(C)(C)CN1C(=O)NCCN1CCOCC1 753057749 CDJKSPWIWZPZOB-LBPRGKRZSA-N 285.388 0.528 0 50 CCAA CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)N(C)C)C1 195301478 RZIBWDVUICADBR-HNNXBMFYSA-N 290.411 0.924 0 50 CCAA Nc1nonc1C(=O)OCc1cn2ccccc2n1 744870214 SKHJEYVJIMLMOI-UHFFFAOYSA-N 259.225 0.657 0 50 CCAA CSCC[C@H](C)N(C)c1cc(=O)n(C)c(=O)n1C 596147532 RMFNXZIBOJNZQD-VIFPVBQESA-N 271.386 0.662 0 50 CCAA CN1CCC2(CC1)CN(c1ccnc(N)n1)CCO2 1515854495 YNGDKKJCPFGQGM-UHFFFAOYSA-N 263.345 0.360 0 50 CCAA C[C@@H]1CCCCN1S(=O)(=O)NCCc1cnoc1 907389509 RHCGQEHXYWPSLC-SNVBAGLBSA-N 273.358 0.926 0 50 CCAA CC1=CCN(C(=O)CN2CCCC[C@@H](O)C2=O)CC1 644405851 SRHBPSJXAWGIDP-GFCCVEGCSA-N 266.341 0.538 0 50 CCAA C=CC(=O)N(CC(F)F)C1CCS(=O)(=O)CC1 1875375306 YLVZDEPYEXUXGE-UHFFFAOYSA-N 267.297 0.843 0 50 CCAA CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 365018923 PHCWVMCFVZFDGW-HBNTYKKESA-N 276.402 0.948 0 50 CCAA CCn1nccc1C(=O)N[C@@H]1CNCCC1(F)F 1615540962 MSDBHPJIXGISIN-SECBINFHSA-N 258.272 0.630 0 50 CCAA CCc1c(C(=O)N2C[C@@H]3CCC[C@@]3(N)C2)nnn1CC 1615622329 GNVXGNIQUSQQTG-IINYFYTJSA-N 277.372 0.814 0 50 CCAA C[C@H]1CN(C(=O)c2ccccn2)C[C@@H](C(=O)O)O1 1616043868 JGBCGWRAKHKWTF-WPRPVWTQSA-N 250.254 0.396 0 50 CCAA O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ccc2c[nH]nc2n1 1775976689 CJTSKMPIJAOLRF-SNVBAGLBSA-N 282.307 0.968 0 50 CCAA CC(=O)c1cnc(N2CC[C@H](N(C)C)[C@@H](O)C2)nc1C 1772701278 JXWGRXJBEXAPMD-STQMWFEESA-N 278.356 0.489 0 50 CCAA COCC(=O)NCCNC(=O)c1c[nH]c2ccccc12 12296555 LFYQHBHSAJVBJE-UHFFFAOYSA-N 275.308 0.660 0 50 CCAA biogenic COC(=O)CCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 12596368 UYXHSIBHFRPDDM-LLVKDONJSA-N 292.339 0.515 0 50 CCAA COC(=O)c1cccnc1N1CC[C@H](CO)[C@H](O)C1 1857726465 SJIFPXADEMOEPU-MWLCHTKSSA-N 266.297 0.048 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc(Cl)cn2)C1 644001433 MNZLIWKEWXCNCD-ZDUSSCGKSA-N 297.742 0.578 0 50 CCAA N[C@H]1CCC[C@@H](C(=O)N2CCN(Cc3ccon3)CC2)C1 238008945 IREKOJIGGKCXKH-OLZOCXBDSA-N 292.383 0.836 0 50 CCAA O=C(Nc1ccn([C@H]2CCNC2)n1)[C@@H]1COc2ccccc21 548017439 CXBCQWTZYUXAFN-WCQYABFASA-N 298.346 1.532 0 50 CCAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C2(COC2)C1 238853734 KOEYCRLDXMOAJA-MRVPVSSYSA-N 257.286 0.955 0 50 CCAA CN1CCC2(CC1)CCN(C(=O)[C@@H]1CNCCOC1)C2 1857693577 CMIKNKLKZFWVIA-CYBMUJFWSA-N 281.400 0.167 0 50 CCAA COC/C(C)=C/Cn1c(-c2ncccn2)noc1=O 901480610 RNHQDSNCBBYLMG-RUDMXATFSA-N 262.269 0.886 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)c1ccccc1 110689886 VJGKVUAWEFSNPR-QWHCGFSZSA-N 275.352 0.814 0 50 CCAA Cc1ccccc1CC(=O)N1CCC[C@@](O)(C(N)=O)C1 225488230 JIARKKSHWRYLDL-HNNXBMFYSA-N 276.336 0.376 0 50 CCAA Cc1nc2n(n1)CCN(C(=O)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1N)C2 262680864 XEEWJYAWIDZOHY-YRRQLQLVSA-N 275.356 0.302 0 50 CCAA CCN(CCc1ccccn1)CCS(C)(=O)=O 171633144 MQRQOZHMYWAUDY-UHFFFAOYSA-N 256.371 0.991 0 50 CCAA O=C1CCCN1[C@H]1CCCN(CCn2cncn2)C1 71756921 QIDUYNSSJWEOPE-LBPRGKRZSA-N 263.345 0.365 0 50 CCAA O=C1CC[C@H](C(=O)NCc2cnc3c(c2)CCC3)CN1 426567149 UCYAEILELYPKJX-LBPRGKRZSA-N 273.336 0.713 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)CC[C@H]1CCOC1 332720551 YIGSAAIYGJWNEI-GARJFASQSA-N 254.330 0.586 0 50 CCAA CSCCN1CCN(c2nc(N)ncc2C)CC1 91440084 TYCIMOXAZFIBND-UHFFFAOYSA-N 267.402 0.852 0 50 CCAA CCNc1ncc(C(=O)NCCN2CCOC2=O)cn1 91997666 CTOKCXFPHOYPTQ-UHFFFAOYSA-N 279.300 0.090 0 50 CCAA CCc1cnc(Cn2cc(S(C)(=O)=O)cn2)o1 901603746 TTYJAMHXVNPDCA-UHFFFAOYSA-N 255.299 0.885 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cccc(O)n1)C2 2100541253 XVXVITHCTITJBX-MNOVXSKESA-N 277.324 0.190 0 50 CCAA CCN=c1[nH]cc(C(=O)N2CC[C@@]3(O)C[C@H]3C2)s1 622173012 CHARUMKMIQVJRI-QPUJVOFHSA-N 267.354 0.594 0 50 CCAA C[C@H]1CN(C(=O)c2ccnc3[nH]c(O)nc23)CCO1 900048662 HZXBKRVXTGQUNC-ZETCQYMHSA-N 262.269 0.524 0 50 CCAA O=C(Nn1c(=O)[nH]c2ccccc2c1=O)c1ccco1 467691 WNUPQTSINSNMPF-UHFFFAOYSA-N 271.232 0.667 0 50 CCAA CNC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 972184 GQILYTGCWCMYTI-UHFFFAOYSA-N 270.354 0.815 0 50 CCAA CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 1072710 OASVRQHVOOSNAH-ZETCQYMHSA-N 260.290 0.239 0 50 CCAA CCCN1CCC[C@@]2(CCCN2S(C)(=O)=O)C1=O 2356144268 PKWCKVFIXZIKPG-GFCCVEGCSA-N 274.386 0.813 0 50 CCAA O=C(O)CCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 3156219 OGMCFVKEZAPCEG-UHFFFAOYSA-N 281.220 0.886 0 50 CCAA C[C@H](C(=O)O)N(C)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 247452045 ZSAZRTUBCICENF-VQVTYTSYSA-N 296.245 0.375 0 50 CCAA CCc1noc([C@H](C)N2CCO[C@@H](Cn3cncn3)C2)n1 229552751 GMOYGCVALXVSQX-WDEREUQCSA-N 292.343 0.686 0 50 CCAA CN1CCN(Cc2noc(CCc3cc(O)no3)n2)CC1 67724956 BSYPGCIKAMYLGI-UHFFFAOYSA-N 293.327 0.296 0 50 CCAA CNC(=O)[C@@H](C)N(C)C(=O)Cc1sc(C)nc1C 67759067 ZIHCZYIIGNTNEE-MRVPVSSYSA-N 269.370 0.895 0 50 CCAA Cc1nc(N)nc(N2C[C@H](O)[C@@H](N3CCCC3)C2)c1Cl 1506405469 JMMRQVJOHZESGQ-UWVGGRQHSA-N 297.790 0.666 0 50 CCAA C[C@@H](CO)CN(Cc1ccccc1)C(=O)CS(C)(=O)=O 63857094 GEUKJERLZAOADQ-GFCCVEGCSA-N 299.392 0.688 0 50 CCAA CC(C)(C)CCS(=O)(=O)N1CCO[C@H](CC(=O)O)C1 232505117 LEGXRSBBIBJRJG-SNVBAGLBSA-N 293.385 0.928 0 50 CCAA O=S(=O)(c1cnc2n1CCC2)N1CCn2ccnc2C1 330010539 HBYNWRWZEFTCEF-UHFFFAOYSA-N 293.352 0.230 0 50 CCAA COc1ccc(S(=O)(=O)NC[C@H](C)O)c(C)c1C 36638802 MZBGUUAMVGPEEQ-QMMMGPOBSA-N 273.354 0.971 0 50 CCAA Cn1cccc(C(=O)NC2(C(N)=O)CCCCCC2)c1=O 215059228 BTDUMPFDOYDHOS-UHFFFAOYSA-N 291.351 0.693 0 50 CCAA CC[C@@H](C)[C@@H](OC)C(=O)Nc1cn(C)c(=O)n(C)c1=O 331129166 AOXZOMRFUHQUPU-PSASIEDQSA-N 283.328 0.084 0 50 CCAA CS(=O)(=O)NCC(=O)N[C@@H]1CCC[C@@H](C2CC2)C1 153446154 YIRHJSMMFKEBJL-GHMZBOCLSA-N 274.386 0.621 0 50 CCAA CN(CCC(=O)O)c1cc(N2CCOCC2)ncn1 259013422 RLHBYYHJFFLRIL-UHFFFAOYSA-N 266.301 0.224 0 50 CCAA CCN1CCN(C(=O)NC2CC(C)(F)C2)CC1=O 334629147 PUDCJLSGZRICMC-UHFFFAOYSA-N 257.309 0.751 0 50 CCAA CCc1noc([C@@]2(O)CCN(c3nccc(OC)n3)C2)n1 369359658 SWYCZYNZGBRYKW-CYBMUJFWSA-N 291.311 0.529 0 50 CCAA Cc1n[nH]c(C)c1CCCNC[C@]1(O)CCNC1 72473338 KLSBFWYSHMLJFR-CYBMUJFWSA-N 252.362 0.273 0 50 CCAA COc1ccnc(CN2CC[C@H](CO)[C@@H](O)C2)c1OC 72161549 JOVQBSNSYZPQOS-PWSUYJOCSA-N 282.340 0.274 0 50 CCAA CN(C)C[C@@]1(O)CCN(C(=O)c2ccn(C(F)F)n2)C1 72172952 JNHHFQUIGMEIHJ-LBPRGKRZSA-N 288.298 0.417 0 50 CCAA O=C1CCN(C(=O)c2ccccc2[C@@H]2CCNC2)CCN1 72172814 AEIVKGKYHYLBDE-GFCCVEGCSA-N 287.363 0.726 0 50 CCAA Cc1nc(N)ncc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 222446246 YRCXVKMYKZKTRB-GXSJLCMTSA-N 261.329 0.143 0 50 CCAA CN1CCC(O)(CNC(=O)[C@@H](O)c2cccc(F)c2)CC1 220279957 NOLDQZMLGJWPHW-ZDUSSCGKSA-N 296.342 0.432 0 50 CCAA CN1CCC(C)(C(=O)NCCn2ccnn2)CC1 426582833 OHIDDQQHOQGQLC-UHFFFAOYSA-N 251.334 0.126 0 50 CCAA CC(C)N(CC(=O)O)C(=O)[C@H]1CCN(C)C(=O)C1 178069633 UHBBXCQCUUYYBD-VIFPVBQESA-N 256.302 0.176 0 50 CCAA CN1CCC(O)(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1 97602470 FVWCPUDAKDAWPS-LBPRGKRZSA-N 292.383 0.572 0 50 CCAA CCCN1CCN(c2ncc(F)c(NC)n2)C[C@H](O)C1 97522734 OAZZJLVXADDKNZ-SNVBAGLBSA-N 283.351 0.550 0 50 CCAA CN(C)CCn1ccc(NC(=O)C2CCNCC2)n1 236998398 CRBFYFKKRKQSLY-UHFFFAOYSA-N 265.361 0.383 0 50 CCAA Cn1nc(C(=O)NCCc2c[nH]cn2)c2c1CCCC2 97730221 HMPVMJXZBRPFRO-UHFFFAOYSA-N 273.340 0.995 0 50 CCAA Cc1cc(C)n(CCN2CCc3[nH]nc(C(=O)O)c3C2)n1 252488318 IOYMHSLGBGLMRN-UHFFFAOYSA-N 289.339 0.980 0 50 CCAA COC(=O)c1ccsc1Nc1c(OC)c(=O)c1=O 252536350 IFUIFAFVIAMZJD-UHFFFAOYSA-N 267.262 0.883 0 50 CCAA COC(=O)CNC(=O)CC1(Cn2cnnn2)CCCCC1 524735011 ZFKZDJCPFAZEKA-UHFFFAOYSA-N 295.343 0.303 0 50 CCAA CCn1nccc1S(=O)(=O)N1CCC[C@H](N)C1 262770192 MBJKFAYGNZRTJY-VIFPVBQESA-N 258.347 0.015 0 50 CCAA O=C1OC[C@@H]2CN(Cc3nc(-c4ccco4)no3)CCN12 370568237 HOOPPGQAUNSAIL-VIFPVBQESA-N 290.279 0.966 0 50 CCAA Cc1nonc1CNC1CCN(C(=O)[C@H]2CCCO2)CC1 584901506 AAOVIVYPVIAMRM-CYBMUJFWSA-N 294.355 0.638 0 50 CCAA CCS(=O)(=O)NC[C@H](C)NCC1(N(C)C)CCCC1 823412692 FHIBPJNHAWLIDA-LBPRGKRZSA-N 291.461 0.778 0 50 CCAA CCC[C@H](CC(=O)O)NC(=O)[C@H]1CCn2ncnc2C1 1875300874 UJEKBIBIARIAAX-VHSXEESVSA-N 280.328 0.600 0 50 CCAA Cc1cccc(CN2CCN(C(=O)c3cnn[nH]3)CC2=O)c1 584889147 GMHAWLSJNUVDEX-UHFFFAOYSA-N 299.334 0.598 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)c1csc(N)n1 584897055 ZSYMQGUVPBJTNC-QMMMGPOBSA-N 265.342 1.130 0 50 CCAA NC(=O)C1(NC(=O)CCN2CCCCC2=O)CCCCC1 670448167 PKPJCCOUXBQGPI-UHFFFAOYSA-N 295.383 0.693 0 50 CCAA CNC(=O)C1(C)CCN(C(=O)[C@H]2CC(C)=NO2)CC1 670435731 IQFIKHRYRWGRGP-SNVBAGLBSA-N 267.329 0.526 0 50 CCAA CCc1nccn1CCC(=O)NC1CCS(=O)(=O)CC1 670473315 JHTOHIYMTBPRFG-UHFFFAOYSA-N 299.396 0.529 0 50 CCAA CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccnc1 682256393 ASKQWNWTJQSDBR-VXGBXAGGSA-N 269.370 0.843 0 50 CCAA Cc1cc(=O)n2nc(N3CC(=O)N(C)[C@H](C)C3)sc2n1 1875252036 RDCDBDOUZNUMPU-MRVPVSSYSA-N 293.352 0.126 0 50 CCAA O=C([C@@H]1CCCN1[C@H]1CCS(=O)(=O)C1)N1CCCC1 1875254882 QBDBESFVGXQWOL-RYUDHWBXSA-N 286.397 0.260 0 50 CCAA CN1CCC[C@](O)(Cc2nc(-c3cncnc3)no2)C1 1875268483 SPIDGHYDICUDTK-ZDUSSCGKSA-N 275.312 0.526 0 50 CCAA O=C(OCC(F)(F)F)N1CC(O)(c2cc[nH]n2)C1 1875276370 RGIRMEVHOSZOJZ-UHFFFAOYSA-N 265.191 0.612 0 50 CCAA CCN(C(=O)[C@H](N)[C@H](C)O)c1ccc(OC)cc1 1875340392 YWHKVHQCBHMGTB-JOYOIKCWSA-N 252.314 0.756 0 50 CCAA CN(CC1(C)COC1)C(=O)/C=C/c1cnc(N)nc1 952867559 PBTQMYZHDUSNCD-ONEGZZNKSA-N 262.313 0.567 0 50 CCAA Cn1nc(C(=O)NC2CCC3(CC2)C[C@@H]3N)cc1O 1775961420 ZAFYZTVFCFOTBN-SLYADPJGSA-N 264.329 0.516 0 50 CCAA COc1nccc(NC(=O)NC[C@H]2CCCO2)n1 276539815 OPGSANMTRQKQFG-MRVPVSSYSA-N 252.274 0.786 0 50 CCAA Cc1nnc(CCC(=O)N2CCNC(=O)[C@@H]2C(C)C)o1 635490710 TVBVDRDOERZYDX-LBPRGKRZSA-N 280.328 0.294 0 50 CCAA CN1CCN(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C1=O 212697770 PJIIAUMIVWALKU-QMMMGPOBSA-N 272.301 0.539 0 50 CCAA O=C1c2ccccc2CN1NS(=O)(=O)N1CCCCC1 585114500 FYOCOMGOIFVUHA-UHFFFAOYSA-N 295.364 0.878 0 50 CCAA CCCc1nnc(S)n1CC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 225471979 LIBPYEZWBPJNFC-OPRDCNLKSA-N 296.396 0.955 0 50 CCAA CCC(CC)(C(=O)O)C(=O)N[C@@H]1CCN(C(N)=O)C1 653305577 PSDKHIUKMVHDCR-MRVPVSSYSA-N 271.317 0.147 0 50 CCAA Cc1nc(C)c(CNC(=O)c2cnc(C(=O)O)cn2)o1 567863423 OOMONBWXYNEZLK-UHFFFAOYSA-N 276.252 0.710 0 50 CCAA CNC(=O)CCN(C)C(=O)[C@@H](N)CC1CCCCC1 67946469 PIMPSPGIELAWDX-LBPRGKRZSA-N 269.389 0.879 0 50 CCAA O[C@H]1CN(c2ccc(Cl)cn2)C[C@@H]1N1CCOCC1 1506398861 GULWOFMMACBQSO-RYUDHWBXSA-N 283.759 0.617 0 50 CCAA CN(C(=O)c1cccc(OCC(N)=O)c1)C1(CO)CC1 614767007 XHPCZAPEWJZJMK-UHFFFAOYSA-N 278.308 0.148 0 50 CCAA CCc1c(C(=O)N2C[C@@H]3CC[C@]3(N)C2)nnn1CC 1615547901 VWLPVXWFDVNQQJ-ZANVPECISA-N 263.345 0.424 0 50 CCAA Cc1cc(COCC(=O)N2C[C@H](N)C3(CCC3)C2)no1 1615552982 FQVDTLDYEDKBCJ-LBPRGKRZSA-N 279.340 0.839 0 50 CCAA Nc1ccn2ncc(C(=O)NC[C@H]3COCCO3)c2c1 1615615750 SHESPUSDXDULOS-JTQLQIEISA-N 276.296 0.062 0 50 CCAA C[C@H](NC(=O)NC[C@H]1CCCO1)C(=O)NC[C@@H]1CCCO1 1615046194 CMEPZZRDJMSQHO-SDDRHHMPSA-N 299.371 0.148 0 50 CCAA CNC(=O)CO[N@@]1CC1(C(F)(F)F)C(F)(F)F 1857524855 BCACRRQJQQITLG-HNNXBMFYSA-N 266.141 0.843 0 50 CCAA CCc1ncnc(N2C[C@H]3CNC[C@]3(CN(C)C)C2)c1F 1772712242 QDZGDZQCJIAYRS-ABAIWWIYSA-N 293.390 0.766 0 50 CCAA NC(=O)NC(=O)CCN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 250820183 FYJKACFEEOKPES-UTLUCORTSA-N 283.328 0.289 0 50 CCAA COc1ncc(-c2nccn2C[C@H]2CC(=O)N(C)C2)cn1 1857672087 JCDQKWUHCKSUBJ-JTQLQIEISA-N 287.323 0.827 0 50 CCAA CCn1cc([C@@H](C)NC(=O)N[C@H]2CCCN(C)C2=O)cn1 527992000 DVBZDABIKOXDNO-PWSUYJOCSA-N 293.371 0.884 0 50 CCAA Cc1cc(NC(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)no1 328629530 OXLXDXFJVDNHIE-JTQLQIEISA-N 290.327 1.227 0 50 CCAA CCn1nnc(C)c1CN1CCC[C@]1(COC)C(=O)NC 643765938 SQKPRXFUISFJOK-AWEZNQCLSA-N 295.387 0.333 0 50 CCAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)c1cn([C@@H]2CCCNC2)nn1 333572532 MQJDRLMNNVWXTH-HNCHTBHHSA-N 291.355 0.252 0 50 CCAA CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC 12647634 BRAIZMRNHHXEOI-UHFFFAOYSA-N 298.368 0.572 0 50 CCAA COc1cccc(-c2cc(S(N)(=O)=O)n[nH]2)c1 1857778773 AHMJRTRTJFXBQV-UHFFFAOYSA-N 253.283 0.733 0 50 CCAA Cn1nnc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)n1 931492109 YNIHTQYYBCUGQH-KBPBESRZSA-N 284.367 0.669 0 50 CCAA CN(C(=O)c1ccncc1)[C@@H]1CCS(=O)(=O)C1 4294128 DFMBMIGPFVXMDW-SNVBAGLBSA-N 254.311 0.341 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N1CCOC2(CCOCC2)C1 182590784 HJXIAZWYFGXWTQ-RYUDHWBXSA-N 270.373 0.768 0 50 CCAA CN1C[C@H](C(=O)N(C)C[C@H]2CCC[C@H]2O)CC1=O 407994375 CMONFHSATKUJEZ-GMTAPVOTSA-N 254.330 0.084 0 50 CCAA CCc1csc(CNC(=O)C[C@H]2CNCCO2)n1 534586793 CXZBUMFRARHVKP-JTQLQIEISA-N 269.370 0.700 0 50 CCAA CCSC[C@H](C)N1CCN(CC(=O)O)C(=O)C1 534658142 XVFIRFYKOQORPY-VIFPVBQESA-N 260.359 0.357 0 50 CCAA O=C(C[C@@H]1CCCCO1)N[C@H]1CCO[C@H]1C(=O)O 703004469 BTXZSXXSPLNCIV-ATZCPNFKSA-N 257.286 0.304 0 50 CCAA Cn1nnc(CNC[C@@H](O)c2c(F)cccc2F)n1 398073622 KPTGONUHRMTTHH-SECBINFHSA-N 269.255 0.312 0 50 CCAA N[C@@]12CCOC[C@@H]1CN(C(=O)c1cn3c(n1)CCC3)C2 2325809233 SUIIDRQVPZUBCZ-IINYFYTJSA-N 276.340 0.019 0 50 CCAA Cc1cc(C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)on1 2325817951 ITNKKOFCBYEMAX-LLVKDONJSA-N 277.324 0.825 0 50 CCAA O=C(O)[C@H]1O[C@@H](C(=O)O)[C@H]2[C@@H]1C(F)(F)C2(F)F 1235907 ZBYYITGKQLENSW-GNSDDBTRSA-N 258.123 0.440 0 50 CCAA CCNc1nc(N(C#N)CC)nc(N2CCOCC2)n1 4488304 MXOCMSFCMJHBEL-UHFFFAOYSA-N 277.332 0.447 0 50 CCAA CCN(CC)C(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-] 101172755 MXNQJPFUROZSTO-UHFFFAOYSA-N 275.308 0.897 0 50 CCAA CCC[C@@H]1NC(=O)N(CN2CCCC[C@H]2C(N)=O)C1=O 252444063 YVKRSIAQJKTXQT-UWVGGRQHSA-N 282.344 0.004 0 50 CCAA COCc1cc(CN(C)c2cc(OC)ncn2)n[nH]1 65407301 JQTPJWUUPSKAQR-UHFFFAOYSA-N 263.301 0.991 0 50 CCAA CN(CC(=O)O)[C@H]1CN(Cc2ccncc2Cl)C[C@H]1O 328603574 GRDGJMYCCXFOOZ-NWDGAFQWSA-N 299.758 0.297 0 50 CCAA Cc1ccc(NCCCN2CCC[C@@H](C(N)=O)C2)nn1 32540634 KQWKBQRQVRCRKT-GFCCVEGCSA-N 277.372 0.784 0 50 CCAA C[C@@H]1CCCN(C(=O)CCCn2cncn2)[C@H]1CN 237488982 LNBYZBZASPUZEB-NEPJUHHUSA-N 265.361 0.644 0 50 CCAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)Cc1ccccn1 65371739 WJJFOTDJGCUIFJ-NEPJUHHUSA-N 259.309 0.504 0 50 CCAA CC[C@@H]1c2cccn2CCN1S(=O)(=O)N1CCOCC1 72368846 MLYMVDMIMWDVND-GFCCVEGCSA-N 299.396 0.832 0 50 CCAA CCN(C(=O)Cc1cn2ccsc2n1)[C@H]1CCNC1=O 241644464 PQZIYRYUUALPBI-JTQLQIEISA-N 292.364 0.675 0 50 CCAA C[C@H](O)CN1CCN(C(=O)Cc2ccncc2)[C@@H](C)C1 241897404 TYLWOBCBHBVPJA-STQMWFEESA-N 277.368 0.538 0 50 CCAA CCOC(=O)C[C@@H]1CCCCN1C(=O)Cn1cncn1 77343084 CUQBPLWGLHRQTB-NSHDSACASA-N 280.328 0.612 0 50 CCAA CCCc1cc(C(=O)NCCCn2cnnc2)n(C)n1 77521421 VQJKELUAWJLHRJ-UHFFFAOYSA-N 276.344 0.784 0 50 CCAA Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)o1 343113191 XKIBLNWAFSGDMP-JTQLQIEISA-N 286.357 0.382 0 50 CCAA Cc1cc(CNC(=O)c2cn3cccnc3n2)n(C)n1 97758070 UTUJDEOLFZZVIW-UHFFFAOYSA-N 270.296 0.701 0 50 CCAA Cc1cccc(CNC(=O)N(C)C[C@@H]2COCCO2)n1 426373879 XLUWHRTTYALPLH-CYBMUJFWSA-N 279.340 0.947 0 50 CCAA Cc1nnc2n1[C@H](C)CN(C(=O)CCc1ccnn1C)C2 96180301 VZWVUVPXPWEHRF-SNVBAGLBSA-N 288.355 0.856 0 50 CCAA O=C(O)[C@@H]1[C@@H]2C[C@H]2CN1S(=O)(=O)c1ccc(F)cc1 247347211 BNUDSGMYXYNNMY-XROYCOCOSA-N 285.296 0.919 0 50 CCAA COc1ccc(C(=O)N[C@H](C)c2ncnn2C)cn1 244787662 QBDMQJAFHWRULA-MRVPVSSYSA-N 261.285 0.710 0 50 CCAA CCS(=O)(=O)Cc1cn(O)c2ccccc2[n+]1=O 526055765 XDWYTQMMBYTLQQ-UHFFFAOYSA-N 269.302 0.728 0 50 CCAA Cc1cccc(C)c1OCC(=O)N1CCO[C@H]2CNC[C@H]21 299741357 FGVHRGYSHMXEQE-KGLIPLIRSA-N 290.363 0.881 0 50 CCAA COC[C@H](NC(=O)c1[nH]nnc1C)c1ccccn1 534674573 LFQKTDCZZNVSCN-JTQLQIEISA-N 261.285 0.626 0 50 CCAA O=C(NCc1noc(-c2cccs2)n1)[C@H]1C=CCN1 534635536 PPVKOVKDLOSHMN-MRVPVSSYSA-N 276.321 0.942 0 50 CCAA Cc1c[nH]c(C(=O)N[C@H]2CCCN(c3ncccn3)C2)n1 299800185 TXSICVXTGWSBCL-NSHDSACASA-N 286.339 0.907 0 50 CCAA CCCN1C[C@@H](C(=O)NCCc2cc[nH]n2)CCC1=O 299779766 AMKVFWCITZGCEK-NSHDSACASA-N 278.356 0.717 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NS(=O)(=O)CC1CCCC1 826846970 TUGUYWHRUAMBOO-VXGBXAGGSA-N 286.397 0.916 0 50 CCAA CCCS(=O)(=O)N[C@H](C)c1nc(CCOC)no1 822993551 LXRJSHXOBBJLES-MRVPVSSYSA-N 277.346 0.649 0 50 CCAA O=C1CCCN1CCn1cnc2ccncc2c1=O 584886136 IUUVQVJJRCCKKD-UHFFFAOYSA-N 258.281 0.414 0 50 CCAA CNC(=O)C[C@@H]1CCN(Cc2cnc(N)s2)C1 670466073 PFSZMVFNARMEQX-QMMMGPOBSA-N 254.359 0.683 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2C[C@H](F)[C@H](F)C2)CC1 1875369476 QHYKWCPKQZDVNI-PHIMTYICSA-N 272.295 0.929 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)[C@@H]1CCCc2scnc21 1875332807 LXSPUQTWACGSMZ-SSDOTTSWSA-N 293.352 0.746 0 50 CCAA CCOC1(c2nccn2C)CN(C(=O)N(C)C)C1 1875289311 GYKXWVUCSXZSOD-UHFFFAOYSA-N 252.318 0.649 0 50 CCAA Cn1c(C2CC2)nc2c1CCN(c1cncc3nnnn13)C2 1875256968 ZOAAQOBIECAYFI-UHFFFAOYSA-N 296.338 0.693 0 50 CCAA CCn1ncnc1CNC[C@H]1CCN(CCOC)C1 952975452 ZJMMCRKZJHOKJF-GFCCVEGCSA-N 267.377 0.356 0 50 CCAA COC[C@@H](O)CNC(=O)/C=C/c1cc(CO)cs1 952985342 RWFWKXSEJQGRHE-PBKGFPTLSA-N 271.338 0.377 0 50 CCAA O=C(c1cc(O)nc(C2CC2)n1)N1Cc2c[nH]nc2C1 1773362627 RXPSLULAGDMWNF-UHFFFAOYSA-N 271.280 0.939 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cnc(C2CC2)[nH]1 888093105 RONWRPDXWJJZQH-VXNVDRBHSA-N 262.313 0.684 0 50 CCAA C[C@H]1C(=O)N(NC(=O)c2cnc(C3CC3)nc2)C(=O)N1C 899039442 XAVVGUKBLRHNKF-ZETCQYMHSA-N 289.295 0.281 0 50 CCAA N[C@H](CC(=O)Nc1ccn([C@@H]2CCNC2)n1)c1ccccc1 548019106 YELGQJZOLWXHRP-ZIAGYGMSSA-N 299.378 1.446 0 50 CCAA COC[C@H](O)CN1CCN(c2nc3ccccc3[nH]2)CC1 170071588 QUIGWLBCDZXBAU-GFCCVEGCSA-N 290.367 0.692 0 50 CCAA C[C@@H]1COCC[C@H]1NC[C@H]1CCCN1S(C)(=O)=O 170619060 PIHKDPHREDFUDD-IJLUTSLNSA-N 276.402 0.425 0 50 CCAA Cc1nc(CNC(=O)N2CCC[C@@](C)(O)C2)no1 408054198 YHLYFNIMTSZPKO-LLVKDONJSA-N 254.290 0.434 0 50 CCAA CNS(=O)(=O)c1ccc(C(=O)N(OC)C(C)C)cn1 408522829 MIKCWPHCEWJEAI-UHFFFAOYSA-N 287.341 0.402 0 50 CCAA Cc1ccnc(N2CCC[C@](O)(c3cnn[nH]3)C2)n1 583616778 CFMOGYCYTRZMTN-GFCCVEGCSA-N 260.301 0.391 0 50 CCAA C[C@@H](C(=O)N1CCOC[C@@H]1C(=O)O)N1CCCCCC1 663025605 BLADNUZVZMHHFX-NWDGAFQWSA-N 284.356 0.563 0 50 CCAA Cc1cc(N)n(CC(=O)N(CCO)Cc2cccs2)n1 1506421828 KACWTHBZXUFAAS-UHFFFAOYSA-N 294.380 0.856 0 50 CCAA Nc1nc(CCCNc2cc3nncn3c(N)n2)cs1 1529146078 WILVVTVQPUUTBE-UHFFFAOYSA-N 290.356 0.790 0 50 CCAA Cn1cncc1CN(CCO)C(=O)CCN1CCCCC1 1704326148 YPCMYWMTRBUYCY-UHFFFAOYSA-N 294.399 0.617 0 50 CCAA Cn1nncc1CNC(=O)[C@@H]1NCCOc2ccccc21 1615555611 VEUYPVQJNBCVAA-CYBMUJFWSA-N 287.323 0.155 0 50 CCAA CC[C@@H](NC(=O)CCc1ccccc1)[C@@H](O)C(=O)O 1615551887 QGUJIQMQRSASBP-DGCLKSJQSA-N 265.309 0.960 0 50 CCAA C[C@@H](C(=O)N1CC(c2nc(O)cc(O)n2)C1)C1CC1 1615585759 DLPYBXQMOPVRIR-SSDOTTSWSA-N 263.297 0.860 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cc1C 222981671 LGKUAQFMINIRFI-CHWSQXEVSA-N 285.365 0.732 0 50 CCAA Cc1cccc(NS(C)(=O)=O)c1NS(C)(=O)=O 5234892 NPMAWZALQDSKKU-UHFFFAOYSA-N 278.355 0.738 0 50 CCAA COCCN(C)C(=O)C[C@@H]1C(=O)NCCN1CCC(C)C 12058136 NPIDXBNSIZMEDH-CYBMUJFWSA-N 299.415 0.328 0 50 CCAA CCCN1CCCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 19113928 JNARQXHSXYTEHA-ZDUSSCGKSA-N 293.411 0.942 0 50 CCAA Cc1cn2nc(C(=O)NCc3ccccn3)cc2c(=O)[nH]1 169768606 AZTBYOCJHWDXEA-UHFFFAOYSA-N 283.291 0.656 0 50 CCAA Cc1nc2ccc(C(=O)N3C[C@@H]4CC(=O)N[C@@H]4C3)cc2[nH]1 1857670765 YUUNQFYXQAELIM-GXFFZTMASA-N 284.319 0.832 0 50 CCAA Cc1c(C(=O)N2CC3(CNC(=O)N3C)C2)nc2ccccn12 1857725455 XOYMCOXAYKRARZ-UHFFFAOYSA-N 299.334 0.492 0 50 CCAA COC[C@@]1(C(=O)O)CCCN(C(=O)Cn2cc(C)cn2)C1 448992093 KIAOXMBPDJRLPY-CQSZACIVSA-N 295.339 0.531 0 50 CCAA O=C(c1cnn2ccncc12)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 328599298 BWJKFXVWYUQJES-HATUHQCHSA-N 284.319 0.571 0 50 CCAA CN(C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)C1CCCC1 242047802 VQFNECXNFWMELW-RYUDHWBXSA-N 281.356 0.570 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)Cc1c(C)n[nH]c1C 356020876 LEHLHBBFFJMRBS-STQMWFEESA-N 281.356 0.879 0 50 CCAA Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)[C@@H]2CCOC2=O)o1 583624106 BSODJSJDOKNNEZ-GARJFASQSA-N 298.318 0.542 0 50 CCAA C[C@@H]1OC(=O)N[C@H]1C(=O)N=c1[nH][nH]c2cc(F)ccc12 496766868 NQOWPSSSBDWLBB-SSDLBLMSSA-N 278.243 0.559 0 50 CCAA O=C(N[C@@H]1COC2(CCNCC2)C1)c1ncc[nH]1 1857685029 AHQNMJRNEHQUMO-VIFPVBQESA-N 250.302 0.051 0 50 CCAA C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cnn[nH]1 935598812 XLTJFIAFEXYNPQ-ZETCQYMHSA-N 251.290 0.438 0 50 CCAA CCc1nc[nH]c1C(=O)NC1(CO)CCSCC1 857841925 KWNCAXRUWVQYCG-UHFFFAOYSA-N 269.370 0.960 0 50 CCAA CCN1CCN(CCOc2ccccc2)C(=O)C1=O 40456323 VOVCOFNKMBFDSG-UHFFFAOYSA-N 262.309 0.756 0 50 CCAA CN(C(=O)c1cc2ccccc2c(=O)[nH]1)[C@@H]1CCNC1 179045541 QXZYWMJQYFLNFF-LLVKDONJSA-N 271.320 0.962 0 50 CCAA CN(C(=O)CSc1nnnn1C)c1ccccc1 3248093 OFABDJMGESTHHK-UHFFFAOYSA-N 263.326 0.965 0 50 CCAA CCOCCC(=O)N1CCN(C(=O)c2ccco2)CC1 4824875 UKPVEKSFUSLTSM-UHFFFAOYSA-N 280.324 0.991 0 50 CCAA Cc1ccc(CS(=O)(=O)NCCN(C)C)cc1 10111703 OUHULLYHOOJWJK-UHFFFAOYSA-N 256.371 0.976 0 50 CCAA Cn1nc2ccccc2c1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 345456399 XOQMEWSOFUOTTQ-MRXNPFEDSA-N 298.346 0.926 0 50 CCAA CC(C)OC(=O)[C@H]1[C@H]2O[C@@H]3C=C[C@H](O)[C@@H](C[C@H]2O)[C@@H]31 25627419 MKDLWWZQFRZOGY-RKLSZRSWSA-N 268.309 0.249 0 50 CCAA CC1(C)C[C@@]2(CCO1)NCCN1C(=O)CS[C@@H]12 55152987 CEZNQEDIPGJTON-ZYHUDNBSSA-N 256.371 0.819 0 50 CCAA biogenic CN(C)c1ncccc1O[C@H]1CCN(S(C)(=O)=O)C1 282564349 KLRQVTGRDWSPIO-JTQLQIEISA-N 285.369 0.560 0 50 CCAA CCn1cc(S(=O)(=O)N[C@H](C)c2nc(C)no2)cn1 66916782 GTLAZXBRSJRTNY-SSDOTTSWSA-N 285.329 0.634 0 50 CCAA O=C(CCn1cccn1)N1CCN[C@H](c2ccncc2)C1 368526520 IIOCDGQIWUBDHM-AWEZNQCLSA-N 285.351 0.841 0 50 CCAA CC(C)[C@@H](CNC(=O)c1cccc(=O)[nH]1)N(C)C 232689885 NSNYEROGOZDQAK-LLVKDONJSA-N 251.330 0.691 0 50 CCAA O=C(CCn1ccnn1)N1CCC[C@@H]1c1cc[nH]n1 329119944 VNMVCJKQWDDGHA-LLVKDONJSA-N 260.301 0.755 0 50 CCAA O=C(N[C@@H](CO)CN1CCCCC1)c1ccncc1 288503422 MPECSDOLLZUGKG-CYBMUJFWSA-N 263.341 0.658 0 50 CCAA O=C(c1cccnc1O)N1CCC[C@H]1Cn1cncn1 370994338 SZKFEOBNMQKCEQ-JTQLQIEISA-N 273.296 0.684 0 50 CCAA CO[C@@H]1CN(S(=O)(=O)c2cc(C)cs2)C[C@H]1O 332705463 XXKJGZYKDDEXOF-RKDXNWHRSA-N 277.367 0.437 0 50 CCAA COCCN(Cc1ccnn1C)C(=O)/C=C/CN(C)C 493091519 ZEAZUNBBWNKKCV-AATRIKPKSA-N 280.372 0.513 0 50 CCAA Cc1cc(CC(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)on1 221411316 UCZUVQUKRWJAKM-ZDUSSCGKSA-N 279.296 0.579 0 50 CCAA O=C(COC[C@@H]1CCCO1)N1CCC(c2ncn[nH]2)CC1 82979419 NHFGYNHPNCMMTQ-LBPRGKRZSA-N 294.355 0.706 0 50 CCAA CC(=O)NCCNc1cc(C2CC(O)C2)ncn1 222778345 JRWVMMGGDSVKGO-UHFFFAOYSA-N 250.302 0.263 0 50 CCAA COC[C@@H]1CN(C(=O)c2cc(OC)no2)CC(C)(C)O1 343719666 JGFOSGRCMIWLFV-VIFPVBQESA-N 284.312 0.949 0 50 CCAA C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](N)c1ccccc1 178141983 YGKGLLPNHYTSRK-JQWIXIFHSA-N 282.365 0.332 0 50 CCAA O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1COCCN1 178460644 RTKKJZSVMFUPLL-UPJWGTAASA-N 264.300 0.786 0 50 CCAA CN[C@@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 178596398 MKMZPLLHFPVRNA-ZIAGYGMSSA-N 261.369 0.939 0 50 CCAA CC(=O)N[C@H](C)Cc1nc(-c2ccc(C)nn2)no1 95529244 GRKDORVCNLVZLR-MRVPVSSYSA-N 261.285 0.902 0 50 CCAA CN(C)c1ccc(CC(=O)N2CC[C@](C)(O)[C@@H](O)C2)cc1 96150233 KTWVIHQFGFUALJ-HOCLYGCPSA-N 292.379 0.639 0 50 CCAA Cc1ccc(CCNC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)o1 91505439 XCIRPMVNDLZNBR-LLVKDONJSA-N 293.323 0.529 0 50 CCAA Cc1cc(C)n(CCCN(C)C(=O)CN2CCOC2=O)n1 96161348 WXYINYDVGVISSK-UHFFFAOYSA-N 294.355 0.801 0 50 CCAA CN(C)C[C@@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1CO 91914828 RAWHGDIVTVKJKJ-HUUCEWRRSA-N 291.395 0.643 0 50 CCAA COc1cc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)ncn1 182139453 IYXINFHAJUFOIQ-SECBINFHSA-N 288.311 0.887 0 50 CCAA CCc1cnc(N)nc1N1CCC[C@](CO)(CN(C)C)C1 95366181 KSHYKWZKNCRPOZ-HNNXBMFYSA-N 293.415 0.762 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCCc1ccccn1 91452050 DDKDUKJVTZZAFL-CYBMUJFWSA-N 273.340 0.780 0 50 CCAA O=C(CCCN1CCOCC1)N1C[C@H]2CC[C@@H](C1)NC2 534672593 AZXSQXAIAUFMBK-KBPBESRZSA-N 281.400 0.309 0 50 CCAA CCOC1CC(CN2CCOC[C@H]2c2nc[nH]n2)C1 367143728 LIYGWBJTFDKJOJ-MCIGGMRASA-N 266.345 0.993 0 50 CCAA NC(=O)[C@H]1CCCN(Cc2ccc3c(c2)CNCCO3)C1 299789945 ASWSWSHCXJFDAI-ZDUSSCGKSA-N 289.379 0.866 0 50 CCAA COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCNCC2 299772959 DFKFRQDIVGIFIP-NSHDSACASA-N 295.387 0.274 0 50 CCAA Cc1cc2nc(CNC(=O)[C@@H]3C[C@@H](O)CN3)[nH]c2cc1C 299760759 RFNXAXXFBXALHJ-MFKMUULPSA-N 288.351 0.519 0 50 CCAA O=C(c1cn[nH]c1)N1CCCO[C@H](CN2CCCC2)C1 299790950 CWFGMCKKIMIYPS-CYBMUJFWSA-N 278.356 0.737 0 50 CCAA CN1CCN(S(=O)(=O)c2cccs2)C[C@@H]1CCO 828747396 YPGSBMJQGGHSDL-JTQLQIEISA-N 290.410 0.435 0 50 CCAA COc1cccc2[nH]cc(C[C@@H]3NC(=O)NC3=O)c12 669371102 ZWGKWSDJTOZKOP-VIFPVBQESA-N 259.265 0.927 0 50 CCAA CC(C)CS(=O)(=O)CCn1cnc2ncccc2c1=O 584897935 NXNGELDBCXKODJ-UHFFFAOYSA-N 295.364 0.862 0 50 CCAA C[C@@H]1O[C@H](Nc2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@H]1O 584904326 QENQZHRGYAQHKK-GHIOYOQGSA-N 273.716 0.579 0 50 CCAA CCCn1nccc1C(=O)N1CCOC[C@@H](CN(C)C)C1 670455899 YEGGYVUTXLATMT-ZDUSSCGKSA-N 294.399 0.943 0 50 CCAA OC[C@@H]1CN(c2[nH]cnc3nc(Cl)cc2-3)CC[C@H]1O 865879493 HKATVJWNYLHSIF-IONNQARKSA-N 282.731 0.742 0 50 CCAA Cc1cccc(CCN2CCc3c(c(C(N)=O)nn3C)C2)n1 670462315 GXMKVQXFKQGFMP-UHFFFAOYSA-N 299.378 0.823 0 50 CCAA Cc1nn(C)cc1C[C@H](NC(=O)c1ccsn1)C(=O)O 1875393236 BKLXVPCSXMYWAT-JTQLQIEISA-N 294.336 0.611 0 50 CCAA O=C(C1CC1)N1C[C@H](O)C[C@H]1c1nc(C2CC2)no1 1875302290 JCHBGKDVKXIJMO-ZJUUUORDSA-N 263.297 0.991 0 50 CCAA CN(C)C/C=C/C(=O)NCC[C@H]1CC(=O)N(C)C1 1875377122 SYHLTNQDXYJFEN-ZWNMCFTASA-N 253.346 0.089 0 50 CCAA COc1ccc(Cl)cc1C(=O)NC[C@]1(O)CCNC1 243914735 BKDIDMJFSKLFRO-ZDUSSCGKSA-N 284.743 0.803 0 50 CCAA COCc1nccc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 892854294 BGFNPOPNWYJMNI-OLZOCXBDSA-N 292.383 0.780 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)NCc1ncc[nH]1 1775961124 AIUSIUJFIONZES-HNNXBMFYSA-N 286.335 0.835 0 50 CCAA CC(C)C[C@H](CN)C(=O)N[C@@H](C)CCn1cncn1 170677853 HTEUNANKGWSPFT-NWDGAFQWSA-N 267.377 0.794 0 50 CCAA C[C@H](NC(=O)N1CC[S@@](=O)[C@@H](C)[C@H]1C)C(=O)N(C)C 408309823 ZGQNDKODZYAMGG-HCKOUTBRSA-N 289.401 0.014 0 50 CCAA CO[C@H](C1CC1)[C@H](C)NC(=O)[C@@H]1CCCCC(=O)N1 408520589 NFZKGXGCILLDKP-GAFUQQFSSA-N 268.357 0.975 0 50 CCAA O=C(C[C@H]1CCNC1)Nc1cc(N2CCNCC2)ccn1 638983567 CEHLDKSKODTFHW-GFCCVEGCSA-N 289.383 0.429 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(CCC2CCOCC2)C1 643818243 KDXSJDHGBJCVSA-OAHLLOKOSA-N 284.400 0.766 0 50 CCAA CO[C@@H]1CN[C@H](C(=O)NCc2cn3cccc(C)c3n2)C1 583618242 XMDASEOKBKDVPQ-STQMWFEESA-N 288.351 0.636 0 50 CCAA Cn1ccnc1CCN1CCC(c2nc[nH]n2)CC1 1529105499 DGGHXZBJVXQVRC-UHFFFAOYSA-N 260.345 0.960 0 50 CCAA NC(=O)C[C@]1(O)CCCN(CCC2CCOCC2)C1 643808159 UGMDLRCMHJDYJI-CQSZACIVSA-N 270.373 0.505 0 50 CCAA Cc1ccoc1CN1C[C@@H](O)[C@H](CC(=O)N(C)C)C1 1875398240 IMPDHFKXPMBSBW-VXGBXAGGSA-N 266.341 0.859 0 50 CCAA C[C@H](C(=O)N1CCO[C@H](c2ccccc2)C1)n1cnnn1 1614476517 TYAFJZPCERRKOP-YPMHNXCESA-N 287.323 0.834 0 50 CCAA CC[C@]12COC(=O)N1CCN(Cc1cnn(C)c1)C2 1857728182 QSMNGAPCIIZIRX-ZDUSSCGKSA-N 264.329 0.837 0 50 CCAA Cc1noc(C)c1CN(C)C(=O)[C@H]1CC[C@H](N)[C@@H](O)C1 1857735569 SCINUINOFMSEMQ-DRZSPHRISA-N 281.356 0.738 0 50 CCAA COc1ccc(OC)c(N2C(=O)CC(=O)NC2=O)c1 5526729 GKPKRZWRSHAXEL-UHFFFAOYSA-N 264.237 0.677 0 50 CCAA Cc1cc(C)n(CCN(C)C[C@@H](O)C2CCNCC2)n1 1857674157 UQCXDHSDNUCZNL-OAHLLOKOSA-N 280.416 0.792 0 50 CCAA O=C1CNCCCCOc2cccc(c2)[C@H]2CNC[C@@H]2N1 1875242750 ZUWAUYHVOUKLTP-CABCVRRESA-N 289.379 0.620 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)nc2)N(C)C1 330508666 AQYNJOGPYGWWKW-STQMWFEESA-N 292.383 0.483 0 50 CCAA COCc1ccc(CN2CCC[C@@](O)(CC(N)=O)C2)o1 643746224 GKOFFANNXRXEII-CQSZACIVSA-N 282.340 0.628 0 50 CCAA CC(C)c1nnc2c(=N[C@@H]3CCC(=O)N[C@@H]3C)[nH]ccn12 440557623 UZEQZJKPCGMWNV-NXEZZACHSA-N 288.355 0.749 0 50 CCAA NC(=O)[C@@H]1CN(c2nc3ccccc3s2)C[C@H]1C(N)=O 585117922 CENIYHPGZXZNLE-HTQZYQBOSA-N 290.348 0.319 0 50 CCAA Cc1cnc(NS(=O)(=O)c2cnn(C)c2C)cn1 903655780 JFNUMMJBVMSPQH-UHFFFAOYSA-N 267.314 0.628 0 50 CCAA Cc1nc(CNS(=O)(=O)CC[C@@H]2CCCO2)n[nH]1 907991994 VXQKVRBXFFIZRT-VIFPVBQESA-N 274.346 0.102 0 50 CCAA CS(=O)(=O)CC1(C(=O)NOCc2ccccc2)COC1 1262165287 OIMOSOHRTULFBE-UHFFFAOYSA-N 299.348 0.296 0 50 CCAA CC[C@H]1C(=O)NCCCN1C[C@H](O)CC1(O)CCCC1 933232504 BRUJVVISEGTWQZ-OLZOCXBDSA-N 284.400 0.643 0 50 CCAA O=C1CCCN1C1CCN(CC[C@H]2COCCO2)CC1 1775982024 ZYYBUTPEYVCBIG-AWEZNQCLSA-N 282.384 0.879 0 50 CCAA Cc1cc(C)n(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3)n1 122354897 NAXLCBMNIRRCCU-OLZOCXBDSA-N 262.357 0.853 0 50 CCAA N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 328595734 CUYZXPOHTQCGSC-UMSGYPCISA-N 268.357 0.520 0 50 CCAA Oc1n[nH]c(C2CCN(c3ncnc4c3CCO4)CC2)n1 2325784074 ZMLBKALUDZPHGT-UHFFFAOYSA-N 288.311 0.619 0 50 CCAA O=C(C[C@H]1NCCNC1=O)Nc1ccc(F)cc1 533844 FUGCPGSWUPZYDI-SNVBAGLBSA-N 251.261 0.242 0 50 CCAA C[C@H](O)CN(CCc1ccccc1)S(=O)(=O)O 2090535 WUQFINARPMQIHN-JTQLQIEISA-N 259.327 0.715 0 50 CCAA biogenic O[C@@H]1CO[C@H](Nc2ccc(Cl)cc2)[C@H](O)[C@@H]1O 3897440 GFNOCUJAOLWDMO-DBIOUOCHSA-N 259.689 0.191 0 50 CCAA COc1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 4510341 YVHUTMJNDNOBGL-JTQLQIEISA-N 269.322 0.612 0 50 CCAA C[C@@H](C(=O)N1CCOC[C@@]12CCOC2)n1cccn1 282292599 YNNWGMIVLBSSFR-AAEUAGOBSA-N 265.313 0.462 0 50 CCAA CCCc1cc(C(=O)N2Cc3cnn(CCO)c3C2)no1 67974892 FPRLHVROZCAJEJ-UHFFFAOYSA-N 290.323 0.972 0 50 CCAA CN(CC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O 22606513 QSLAWDHYDIIPDB-UHFFFAOYSA-N 278.280 0.795 0 50 CCAA CC(C)c1cc(C(=O)NCCS(=O)(=O)N(C)C)on1 67871359 YCWRHYHSWRRTHX-UHFFFAOYSA-N 289.357 0.419 0 50 CCAA NC(=O)Cn1cc(N=c2ccnc(-c3ccccc3)[nH]2)cn1 352647512 SRAYBTIYZUWLEW-UHFFFAOYSA-N 294.318 0.991 0 50 CCAA C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)O)ccc2O1 261696978 NOWKRZSMQLJLPO-MRVPVSSYSA-N 285.321 0.763 0 50 CCAA O=C(Nc1ccn([C@H]2CCNC2)n1)[C@@H]1CCCS1 328617385 CQPSQAZVMWSFIY-UWVGGRQHSA-N 266.370 1.252 0 50 CCAA O=C(O)CN(CC1CC1)C1CC(NC(=O)c2ccon2)C1 328632218 LEILNTLVOLJBDE-UHFFFAOYSA-N 293.323 0.732 0 50 CCAA CN1CCO[C@@H](CN(Cc2cnn(C)c2)CC2CC2)C1 328628844 HQPBYFNPRULQSG-OAHLLOKOSA-N 278.400 0.963 0 50 CCAA Cc1nc(N(C)C)nc(NCc2nc(O)n[nH]2)c1C 1506397529 SLVHOLAPKPDFQN-UHFFFAOYSA-N 263.305 0.595 0 50 CCAA COc1cc(C)sc1C(=O)N1CCO[C@H](C(=O)O)C1 262983719 NLRPNUJWOWXGDG-VIFPVBQESA-N 285.321 0.991 0 50 CCAA CN1C(=O)[C@H]2CN(Cc3ccc4c[nH]nc4c3)CCN2C1=O 369419493 RTMHSZDIMQCBFD-CYBMUJFWSA-N 299.334 0.641 0 50 CCAA O=S(=O)(CC12CCC(CC1)C2)NCCn1ncnn1 329668563 RBBJYRJCYGYHBE-UHFFFAOYSA-N 285.373 0.173 0 50 CCAA CC(C)c1cc(C(=O)NCCc2cn[nH]c2)nc(N)n1 217977733 PXWNNSCREVWACL-UHFFFAOYSA-N 274.328 0.878 0 50 CCAA C[C@@H](C(=O)N1CCOC[C@H]1CC(=O)O)n1cccn1 128208681 LFSYTMXCCOARPW-VHSXEESVSA-N 267.285 0.146 0 50 CCAA C[C@H](Cc1ccncc1)NC(=O)CNC(=O)N(C)C 219280644 PALZPQJOPMCZMQ-SNVBAGLBSA-N 264.329 0.400 0 50 CCAA Cn1c(CCNC(=O)[C@H]2COCCN2)nc2ccccc21 237737509 KIYALNZZFGYDQS-GFCCVEGCSA-N 288.351 0.220 0 50 CCAA Cc1cc(C)c(CNC(=O)[C@H]2C[C@H]2C(=O)O)c(O)n1 262485255 BBUIBEDYCOUIIF-DTWKUNHWSA-N 264.281 0.741 0 50 CCAA O=C(O)C1(C(=O)NCCc2cnc(C3CC3)nc2)CC1 262877592 XHUUCVLOLWQDLP-UHFFFAOYSA-N 275.308 0.878 0 50 CCAA Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC[C@H](C)N 178662544 CGXDMBMBSUJOFD-QMMMGPOBSA-N 280.372 0.843 0 50 CCAA Cc1ncc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)c(=N)[nH]1 613661945 YIXCTERSYVIAOA-GHMZBOCLSA-N 263.345 0.410 0 50 CCAA Nc1nc(=NCCc2cccnc2)cc([C@H]2CCOC2)[nH]1 426444569 LAZVLULYWPKYRJ-LBPRGKRZSA-N 285.351 1.034 0 50 CCAA CCc1cc(C(=O)N[C@H](C(=O)O)C2CC2)cc(O)n1 426642918 PEYUVCNGUQFIQD-NSHDSACASA-N 264.281 0.943 0 50 CCAA COCCc1noc(CNC(=O)[C@@]2(C)CCCO2)n1 426413078 ZSYOZSNBXFSZBB-GFCCVEGCSA-N 269.301 0.444 0 50 CCAA COC[C@H](c1ccnn1C)n1cc(-c2nccn2C)nn1 91593119 OVCXAHAYNJAHNA-GFCCVEGCSA-N 287.327 0.648 0 50 CCAA O=C(NCCn1ccnn1)c1ccccc1-n1cnnc1 426699936 MBDWXZNHRQGFSB-UHFFFAOYSA-N 283.295 0.289 0 50 CCAA Cc1ccc(O)c(CN2CC[C@@H](N(C)CCO)[C@H]2C)n1 292784048 LSHZEVSOGJNWMS-TZMCWYRMSA-N 279.384 0.983 0 50 CCAA CN(Cc1n[nH]c2c1CCCCC2)C[C@H](O)CO 97713635 NENYMKIRUSRJHC-JTQLQIEISA-N 253.346 0.464 0 50 CCAA Cn1cc([C@@H](NC(=O)c2cc[nH]n2)[C@H]2C[C@@H](O)C2)cn1 243892940 AMIBRBHWTHPMSU-XRNSZHNASA-N 275.312 0.385 0 50 CCAA CSCC(=O)NCC[C@H](C)N1CCN(C)CC1 534652415 QDMXMPCNJLDQFT-NSHDSACASA-N 259.419 0.492 0 50 CCAA Nc1nc(CCCNC(=O)[C@H]2C=CCN2)cs1 534661892 GSQCHFBYBPDUED-SECBINFHSA-N 252.343 0.302 0 50 CCAA CN1CCCN(CCC(=O)O)CC12CCNCC2 534587898 RVGPELSJLFDMFU-UHFFFAOYSA-N 255.362 0.221 0 50 CCAA Cc1nc(C)c(C(=O)NCCc2nc(N)n[nH]2)s1 534588370 JPQIPMZLWVAANJ-UHFFFAOYSA-N 266.330 0.433 0 50 CCAA O=C(NCCN1CCC[C@@H](CO)C1)c1ncccc1O 299790875 BYMYLIIBLODVCF-LLVKDONJSA-N 279.340 0.221 0 50 CCAA Cc1noc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 299782963 GUVRYCLWIXQKBJ-QWRGUYRKSA-N 276.300 0.315 0 50 CCAA CCCN1C[C@@H](C(=O)NCCn2ccnn2)CCC1=O 299786368 LETMBWGXECHJBE-NSHDSACASA-N 279.344 0.043 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)cc2)CN1 299776300 JMPBAPQJBNCNAM-NEPJUHHUSA-N 262.309 0.628 0 50 CCAA Cc1cccnc1C(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299779666 PHNVRDNFJMOQEN-STQMWFEESA-N 299.334 0.968 0 50 CCAA COC(=O)c1c(NC(C)=O)c2cc(N)cnc2n1C 299759256 DRXRNASTFXCDBE-UHFFFAOYSA-N 262.269 0.901 0 50 CCAA CCOCCNS(=O)(=O)CC(=O)c1ccccc1 725375427 FMGAXALDSNTXMI-UHFFFAOYSA-N 271.338 0.825 0 50 CCAA OCCN1CCC(CN=c2cc[nH]cc2F)CC1 828759850 FTLCRHNHGMLIFI-UHFFFAOYSA-N 253.321 0.759 0 50 CCAA Cc1ncn(CCNC(=O)CCS(C)(=O)=O)c1C 827819956 MTISKDSOCKNTCW-UHFFFAOYSA-N 273.358 0.051 0 50 CCAA CN(CC(=O)NC1CC1)C[C@@H]1CCN(C)C1(C)C 823690493 YNRNPXJSADUPPT-NSHDSACASA-N 253.390 0.927 0 50 CCAA O=C1CN(C(=O)[C@H](O)C2CCCCC2)CCCN1 584896903 TUONNPBCOGFORC-GFCCVEGCSA-N 254.330 0.276 0 50 CCAA CC(C)n1cnnc1[C@@H](C)NS(=O)(=O)N1CCCC1 670434587 YQTUINAFNLMSJV-SNVBAGLBSA-N 287.389 0.850 0 50 CCAA O=C(c1ccn2ncnc2c1)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 1550833503 BNLMCEPNVATDBL-XQQFMLRXSA-N 286.335 0.962 0 50 CCAA CN1CCC(OCC(=O)N[C@@H]2CCNC23CCC3)CC1 1775961165 DNJLKRYRKPMGAC-CYBMUJFWSA-N 281.400 0.498 0 50 CCAA C=CC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1336675396 FUTCSFSMPSHDRS-LBPRGKRZSA-N 274.320 0.969 0 50 CCAA O[C@]1(c2cnn[nH]2)CCCN(c2ncc(F)cn2)C1 583616816 SOPLKQLQSIOQLP-LLVKDONJSA-N 264.264 0.222 0 50 CCAA Cc1nc(S(=O)(=O)N[C@H](CC(F)F)C(=O)O)cn1C 275196595 GBVLHDGGMKNDIP-ZCFIWIBFSA-N 297.283 0.115 0 50 CCAA O=C(N[C@H]1CC12CCOCC2)c1ccc2c(c1)COB2O 584997877 MNWVPTJJRPWYQW-ZDUSSCGKSA-N 287.124 0.203 0 50 CCAA C[C@@H]1CNC[C@H](C(=O)N2CCC[C@@H]2c2ccc(O)nn2)O1 638681120 CSXXWUNJWFCGMV-YUSALJHKSA-N 292.339 0.223 0 50 CCAA CS(=O)(=O)N1CC[C@H](CSc2nncs2)C1 408146795 VDUXQOPBARNPEM-ZETCQYMHSA-N 279.412 0.912 0 50 CCAA CC(C)(C)[C@H]1CN(C(=O)C2(S(C)(=O)=O)CC2)CCO1 408204767 VYMWWFQDSKWYHJ-SNVBAGLBSA-N 289.397 0.837 0 50 CCAA CC(C)n1cc(C(=O)N2CCC[C@H]2C(N)=O)cn1 191045384 ICRYNQWVYZTIBP-JTQLQIEISA-N 250.302 0.554 0 50 CCAA CN(C)c1ncnc2c1ncn2Cc1csnn1 657245975 LSFBXCCQWSCORE-UHFFFAOYSA-N 261.314 0.792 0 50 CCAA CO[C@@H](C(=O)Nc1ccn(CC(=O)O)n1)C1CCC1 663144423 BZFBBWXHFGCLMU-LLVKDONJSA-N 267.285 0.721 0 50 CCAA CC(=O)N[C@@H](C)C(=O)N1C[C@H](C)OC2(CCC2)C1 335357466 DDCACWHKJLHINR-UWVGGRQHSA-N 254.330 0.681 0 50 CCAA Cc1csc2c(=O)n(Cc3cnnn3C)cnc12 562039283 ZBDXUMVBAPKKRP-UHFFFAOYSA-N 261.310 0.943 0 50 CCAA CNC(=O)C[C@@H]1CCN(c2nccnc2N(C)C)C1 1704342356 NRUZKNGJALLKHK-JTQLQIEISA-N 263.345 0.505 0 50 CCAA CCCCCOCC(=O)N1CCC[C@@]1(COC)C(N)=O 585088496 KWMHECUXGUVMKZ-CQSZACIVSA-N 286.372 0.686 0 50 CCAA COC(=O)[C@@H](N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 35630215 IOYJGIAHVAQCPO-BDAKNGLRSA-N 258.318 0.744 0 50 CCAA in-vitro O=C1CCCCN1CCC(=O)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775983132 YLZYREKJPWQHKL-CLLJXQQHSA-N 280.368 0.618 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1nc(C(C)C)n[nH]1 643830064 WMXJYRJYAACLLE-AWEZNQCLSA-N 295.387 0.655 0 50 CCAA CCc1ncc(CNC(=O)CN2CCCC[C@H](O)C2=O)o1 644495920 XBPLEJXYPAJGHF-NSHDSACASA-N 295.339 0.227 0 50 CCAA NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCOCC1 363435358 RXQUFPQECXYNPC-ZDUSSCGKSA-N 291.351 0.515 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)COCCc2ccccc2)CCO1 262999863 PRMVQOXWKGPALT-ZDUSSCGKSA-N 293.319 0.558 0 50 CCAA Cc1cccc(CCN2CCC([C@H](O)CO)CC2)n1 1772707185 WSAFYNMFXQTYRT-OAHLLOKOSA-N 264.369 0.998 0 50 CCAA Cn1ncc(CCC(=O)N2CC(O)(c3ccccc3)C2)n1 831948928 KCFODBPRJVAVHP-UHFFFAOYSA-N 286.335 0.478 0 50 CCAA COCCN1CCN(C(=O)c2ccncc2)CC1=O 121004893 JNECRHKUMSCESW-UHFFFAOYSA-N 263.297 0.012 0 50 CCAA COCCN1CC[C@H](NC(=O)c2ccc(F)cn2)C1 330384660 RKJNSOHHBLHXQT-NSHDSACASA-N 267.304 0.671 0 50 CCAA CCOC[C@H](O)CN1C(=O)[C@H]2CCCCN2C1=O 330697351 KNZGUEJOBDIJGO-NXEZZACHSA-N 256.302 0.201 0 50 CCAA O=C(O)c1ccc(C(=O)NCCc2cnn[nH]2)s1 426531820 QWOIZSBQBDNHDX-UHFFFAOYSA-N 266.282 0.537 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(CO)cc1 629220044 JUXIUDVNMLKUJV-RYUDHWBXSA-N 251.282 0.059 0 50 CCAA CCCN1CC[C@@H](Nc2cc(OC)nc(=N)[nH]2)C1 389926816 XTBFZMRBAMRWHS-SECBINFHSA-N 251.334 0.794 0 50 CCAA Cn1cnc2nc(=NCCN3CCCOC3=O)[nH]cc21 2100534350 DTELZMRCSDZEHG-UHFFFAOYSA-N 276.300 0.039 0 50 CCAA COC(=O)/C=C/CNC(=O)CC[C@@H]1CCC(=O)C1 2325812169 MLPLWKFHMXWXEM-PBKGFPTLSA-N 253.298 0.981 0 50 CCAA O=c1n(-c2cccc(Cl)c2)c(=O)n2n1CCC2 109340 JSZOERVQRNOXIB-UHFFFAOYSA-N 251.673 0.858 0 50 CCAA CCc1ccccc1NC(=O)C(=O)NCCOC 2824282 NRZYBPRCPSDWFV-UHFFFAOYSA-N 250.298 0.950 0 50 CCAA COc1c(CNCCC(=O)N2CCOCC2)c(C)nn1C 134150795 WMVBUWHJYGJJDR-UHFFFAOYSA-N 296.371 0.076 0 50 CCAA NCCCC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)O 4556745 QCZYYEFXOBKCNQ-CHWSQXEVSA-N 293.367 0.255 0 50 CCAA endogenous,in-man Brc1cnn(CCNC2COCCOC2)c1 309476467 YHNYRGGKNWKERF-UHFFFAOYSA-N 290.161 0.651 0 50 CCAA CCOC(=O)CN1CCN(Cc2ccco2)CC1 20167661 VZBJMPSBELARSX-UHFFFAOYSA-N 252.314 0.960 0 50 CCAA CC1(C)CNC(=O)CN1C(=O)CCOCC(F)F 241586421 OVWLWCHIMWEBNQ-UHFFFAOYSA-N 264.272 0.395 0 50 CCAA O=C(Nc1ccn([C@H]2CCNC2)n1)[C@H]1CCCCO1 328625946 LEPPOYDSLZRRBJ-WDEREUQCSA-N 264.329 0.925 0 50 CCAA CC(=O)N1CC(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)C1 365769480 VIULUZIRFWIOIY-LLVKDONJSA-N 296.367 0.261 0 50 CCAA Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC(O)C3)c12 72420163 QUMAGCVMCWJFQO-UHFFFAOYSA-N 296.334 0.915 0 50 CCAA Cn1cncc1CN1CCCO[C@@H](CN2CCOCC2)C1 215594061 OGMBFRUGLLBFBM-HNNXBMFYSA-N 294.399 0.343 0 50 CCAA C[C@@H]1CC[C@H](C(=O)O)N1C(=O)CCn1cncn1 653316066 ZECQJYNSQDNXFR-RKDXNWHRSA-N 252.274 0.132 0 50 CCAA Cc1cc(N)n(CC(=O)NCc2ccc(C(=O)O)o2)n1 217016297 KVRWBULPLJORMN-UHFFFAOYSA-N 278.268 0.381 0 50 CCAA CNC(=O)CC(=O)N1CCCC[C@@H](CCOC)C1 369017425 IAHAERUPRQXHHV-NSHDSACASA-N 256.346 0.788 0 50 CCAA CCOC1CC(O)(CNC(=O)[C@@H]2CCCOCC2)C1 373335868 CYDRICVXXPISLU-LKSINWNRSA-N 271.357 0.849 0 50 CCAA Cc1nc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)n(C)n1 333865574 SREHRXDJNKQODU-KWQFWETISA-N 263.345 0.336 0 50 CCAA CN1CC[C@@H]2CN(C(=O)N[C@H](CN)C3CC3)C[C@@H]21 333864561 SRSQESNRSVOYSK-UTUOFQBUSA-N 252.362 0.069 0 50 CCAA Cc1ccc(N2CC[C@H](C(=O)N[C@@H](C)C(=O)O)C2=O)cc1 237542572 BKFNADCPCYKDDB-CMPLNLGQSA-N 290.319 0.937 0 50 CCAA CCc1cc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)n[nH]1 262397949 NTIGOKRWNDRWFH-LKFCYVNXSA-N 293.323 0.535 0 50 CCAA C[C@@H]1CC[C@H](C(=O)N2CCO[C@H](CC(=O)O)C2)O1 157957586 VWLGEASSLOVENR-OPRDCNLKSA-N 257.286 0.256 0 50 CCAA O=C([C@@H]1CCCN1)N1CC[C@H](Oc2cccnc2)C1 237943034 FPZZAYHRAHHOKL-STQMWFEESA-N 261.325 0.813 0 50 CCAA CCOC1CC(C(=O)N2CCOC[C@@H]2c2ncon2)C1 376933840 UXGBYSNBFOLVPC-VQXHTEKXSA-N 281.312 0.785 0 50 CCAA COCCn1cnnc1CN(C)C(=O)c1cccc(N)n1 219729210 QEVYSAGRYMEBOF-UHFFFAOYSA-N 290.327 0.174 0 50 CCAA O=C(Cn1ncc2ccccc21)N1CCOC[C@@H](O)C1 77455138 RSKHGIYYCRXAHH-LBPRGKRZSA-N 275.308 0.256 0 50 CCAA O=C(O)c1ccccc1CN1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 215347989 SHGKQHAJRCYDKH-NEBZKDRISA-N 291.347 0.948 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1 40845024 DFZMPKMSTNKZKL-BDAKNGLRSA-N 259.302 0.777 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)NCc1noc(C)n1 223409973 SXMAIXMIIAFEIP-VIFPVBQESA-N 286.357 0.252 0 50 CCAA COC(=O)N[C@H](C)C(=O)N1CCc2[nH]ncc2C1 221236025 AULKLXKONWDZSJ-SSDOTTSWSA-N 252.274 0.039 0 50 CCAA Cc1c[nH]c(CSc2nnc(CCN)n2C)c(C)c1=O 426490670 VNJWHQCAECXDLP-UHFFFAOYSA-N 293.396 0.914 0 50 CCAA C[C@]1(C(=O)N2CCN(CCO)CC2)CCCC[C@H]1N 695549961 KRAVFBJULJIQSD-OCCSQVGLSA-N 269.389 0.031 0 50 CCAA C[C@H](CS(C)(=O)=O)N1CCCC2(CCNCC2)C1 426498807 ZRDNPTCRKUHPGD-GFCCVEGCSA-N 274.430 0.885 0 50 CCAA Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCCNC1=O 334893595 HLXMOMKRTXRBSK-GFCCVEGCSA-N 286.335 0.740 0 50 CCAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)COCC(N)=O)C1 92096980 YQPFJXXDJSFOFD-HNNXBMFYSA-N 298.383 0.446 0 50 CCAA CCC[C@@H](Nc1nc(N)ncc1CC)C(=O)NC 95387033 ZRRMQVLBDSOYGR-SECBINFHSA-N 251.334 0.948 0 50 CCAA C[C@H]1CCCN(C(=O)CCN2CCCC2=O)[C@H]1CN 237687499 SKSPVWCFIIHFQZ-RYUDHWBXSA-N 267.373 0.585 0 50 CCAA CC1(C)SC[C@H](C(=O)NCCc2c[nH]cn2)NC1=O 97295211 GNIOSOGKCLEFSG-SECBINFHSA-N 282.369 0.079 0 50 CCAA CCn1nc(-c2ccncc2)nc1CN1CCNC(=O)C1 96152804 DNQDSNLYJQKVNK-UHFFFAOYSA-N 286.339 0.292 0 50 CCAA O=C1N[C@@H](C(=O)NCCc2c[nH]cn2)Cc2ccccc21 97730100 DYUGCORJZOXTNL-CYBMUJFWSA-N 284.319 0.423 0 50 CCAA Cc1nc(NCCN2CCNC2=O)c2cccnc2n1 95363712 QZGKYUWRRKOXFY-UHFFFAOYSA-N 272.312 0.770 0 50 CCAA Nc1nc(N2CCCC2)cc(N2CCN3CCC[C@H]3C2)n1 244626756 FSFNMZCVIACDTB-LBPRGKRZSA-N 288.399 0.943 0 50 CCAA C[C@@H]1CCC[C@H](OCC(=O)N2CCOC[C@H]2C(=O)O)C1 299749261 JSINQIABTHJPHF-WOPDTQHZSA-N 285.340 0.894 0 50 CCAA C[C@@H](CCNC(=O)c1cncnc1)N1CCN(C)CC1 534636588 LIMGNYCBCSQVKP-LBPRGKRZSA-N 277.372 0.232 0 50 CCAA O=C(NCc1cn2c(n1)SCC2)[C@H]1C=CCN1 534584483 RJOZBNLDZYLGOK-SECBINFHSA-N 250.327 0.133 0 50 CCAA CC[C@@H](NS(=O)(=O)N(C)C)c1ncnn1CC 534645976 ZTARONCBQHQRJX-MRVPVSSYSA-N 261.351 0.145 0 50 CCAA COCC(C)(C)CNC(=O)CCn1nnnc1C 534590705 DGEDMHYSPLKQSX-UHFFFAOYSA-N 255.322 0.160 0 50 CCAA Cc1nn[nH]c1C(=O)N(C)Cc1c(C)nn(C)c1C 584903180 ZJXSOXNEXYJPPB-UHFFFAOYSA-N 262.317 0.736 0 50 CCAA C[C@@]1(C(=O)O)CCCN1C(=O)Cn1ccc(=O)cc1 828407577 FKYZBPPTIWDOIT-ZDUSSCGKSA-N 264.281 0.314 0 50 CCAA CCOc1ccc(C(=O)NN2C[C@@H](C(=O)O)CC2=O)cc1 585122814 VWJMGKCDLLZDRT-JTQLQIEISA-N 292.291 0.663 0 50 CCAA CN(CCCN1CCOCC1)S(=O)(=O)c1cccnc1 670450085 VTPZBUXIXXMHBO-UHFFFAOYSA-N 299.396 0.424 0 50 CCAA CCc1nnc([C@]23CC[C@H]2CCN3C(=O)C2OCCO2)o1 1875313666 WIKUXXNHNXPSST-XPTSAGLGSA-N 293.323 0.843 0 50 CCAA CN(C)C(=O)Cn1c(Cc2ccc(F)cc2)noc1=O 1875316144 XFYKOGQLNFAISA-UHFFFAOYSA-N 279.271 0.654 0 50 CCAA C[C@H](Cc1cn(C)nn1)NC(=O)c1nc(C2CC2)no1 1875282636 MQNAJVDVKKOZHW-SSDOTTSWSA-N 276.300 0.437 0 50 CCAA CN(Cc1ccc2ccccc2n1)C(=O)Cn1[nH]nnc1=N 952972050 HHKMSYWBCYRUER-UHFFFAOYSA-N 297.322 0.292 0 50 CCAA C[C@H]1CCOCCN1C(=O)Nc1cc(=O)n(C)cn1 888509271 QVGSSWAFRLQAQS-VIFPVBQESA-N 266.301 0.423 0 50 CCAA CC1(C)O[C@@H]2C(=O)O[C@H]([C@H]3COC(C)(C)O3)[C@@H]2O1 43763363 OFZPAXSEAVOAKB-HXFLIBJXSA-N 258.270 0.583 0 50 CCAA in-vitro O=C1OCCN1c1cccc(N2C(=O)N[C@@H](CO)C2=O)c1 1343860016 PGEAEEUQJSPBIX-JTQLQIEISA-N 291.263 0.060 0 50 CCAA N[C@H]1CN(Cc2coc3ccccc3c2=O)C[C@@H]1O 1565517107 ANQQPGTZQNMELY-RYUDHWBXSA-N 260.293 0.297 0 50 CCAA CNc1cnn(Cc2ccc(C(=O)OC)o2)c(=O)c1 585123013 PPTDFGUIDMDIGE-UHFFFAOYSA-N 263.253 0.713 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)[C@@H]2COCCO2)C(C)(C)C1 408127611 XFKDYQXKODAEAJ-NSHDSACASA-N 299.371 0.006 0 50 CCAA O=C(N[C@@H]1[C@H]2COC[C@H]21)c1cc(O)nc(C2CC2)n1 564100949 USQZTUQQSNJMGD-VROVMSAKSA-N 261.281 0.434 0 50 CCAA CC[C@H](N)C(=O)N(C)[C@H]1CCC[C@H]1S(C)(=O)=O 195542473 SMCDQNMHHHNXJG-LPEHRKFASA-N 262.375 0.148 0 50 CCAA C[C@@H](O)[C@@H](CO)NC(=O)c1occc1Br 696427147 NQUHTTPMHTUCKE-IYSWYEEDSA-N 278.102 0.514 0 50 CCAA CCN1CCC[C@@H](CN(C)CCn2cnnc2)C1 1529119989 PSPJDGLKGAJCGB-ZDUSSCGKSA-N 251.378 0.942 0 50 CCAA CCNS(=O)(=O)c1cc(NCCOCC)ccn1 1875298942 SWAZVJKKRUDMJF-UHFFFAOYSA-N 273.358 0.828 0 50 CCAA CCn1ncnc1CN1C[C@H](Cc2cnccn2)[C@@H](O)C1 1615734302 DZUALHSHNSIHDX-AAEUAGOBSA-N 288.355 0.123 0 50 CCAA CN(CCc1cnn(C)c1)C[C@H]1CCC(=O)N(C)C1 1772818678 JNVZQHSJKYXTPI-CYBMUJFWSA-N 264.373 0.763 0 50 CCAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)Cc1cc[nH]n1 1647423547 XTZSNCWFFLJKBJ-GFCCVEGCSA-N 275.264 0.756 0 50 CCAA CC(C)c1ncc(C(=O)N2C[C@H]3COC[C@]3(C(=O)O)C2)[nH]1 1857532484 VHTWKJYWJPALDQ-LKFCYVNXSA-N 293.323 0.706 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1ncc(C)cn1 643823317 PHXDEPFGOFDOGB-CYBMUJFWSA-N 264.329 0.251 0 50 CCAA CN[C@@H]1CCCN(C(=O)c2ccccc2-n2cnnn2)C1 133317516 SNMQOTDQPIDSFC-LLVKDONJSA-N 286.339 0.486 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H](NC(N)=O)C(C)(C)C 375130316 IJGUOKDCVBPLOE-GRYCIOLGSA-N 296.415 0.765 0 50 CCAA COC(=O)[C@H]1CC[C@H](C(=O)N2CC(N(C)C)C2)CC1 390835642 TWYMRESGIADZMW-XYPYZODXSA-N 268.357 0.738 0 50 CCAA O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)N1CCC(c2nnc(O)o2)CC1 908010503 CNOGCCZUUYCMFH-FBIMIBRVSA-N 291.307 0.706 0 50 CCAA Cc1cn(CCNC(=O)c2ccc(F)c(O)c2)nn1 1772812786 QNJITPNPHRXUGO-UHFFFAOYSA-N 264.260 0.861 0 50 CCAA COc1ccc2c(c1)C[C@H](CN1C[C@H](O)[C@H](O)C1)O2 929772752 NLVCAHAHVKFJNK-UPJWGTAASA-N 265.309 0.036 0 50 CCAA COCc1cc(NC(=O)NCc2cn(C)cn2)ncn1 930428730 VGBXVWZUROWCLU-UHFFFAOYSA-N 276.300 0.678 0 50 CCAA CC(=O)N[C@H]1CCN(C(=O)CCc2c(C)n[nH]c2C)C1 937581713 XEFREAZWWVWDAS-LBPRGKRZSA-N 278.356 0.696 0 50 CCAA CC(=O)N[C@H](C(=O)N1CCC[C@H]([C@@H](C)N)C1)C(C)C 156370382 MPJDYXXTFWOFCJ-WXHSDQCUSA-N 269.389 0.733 0 50 CCAA C[C@@H](C(=O)N(C)C)N1CCN(c2cccnn2)CC1 171351312 YNTYDYKNRMDDNB-NSHDSACASA-N 263.345 0.075 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccco2)C1 284914465 HAJCAZDEMZWEGD-DTWKUNHWSA-N 261.299 0.050 0 50 CCAA CC[C@]1(O)CCCN(S(=O)(=O)N2CCCCC2)C1 632665804 DADWLCDLCAIXDZ-LBPRGKRZSA-N 276.402 0.954 0 50 CCAA CC[C@H](C(=O)O)N1CCN(Cc2nccn2CC)CC1 682852990 LGDWNZXIJSYIJC-GFCCVEGCSA-N 280.372 0.884 0 50 CCAA CCCn1cc(C(=O)NC[C@@H](C)c2nc(=O)o[nH]2)c(C)n1 2325850200 OWSQYCXZFOQAKX-MRVPVSSYSA-N 293.327 0.811 0 50 CCAA CN1CCN(c2nc3ccccn3c(=O)c2C=O)CC1 306053 ZYEGEPJJCWHUAE-UHFFFAOYSA-N 272.308 0.259 0 50 CCAA O=C(O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 1926518 CVVHUAIMEICGSA-ZDUSSCGKSA-N 274.320 0.429 0 50 CCAA COc1nc(C(=O)N2CC[C@H](n3ccnc3)C2)nn1C 2356150843 BVIGKHWNDSNNRY-VIFPVBQESA-N 276.300 0.107 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H](CCCCN)C(N)=O)cc1 3874368 VXJGTHYSPVFPJE-LBPRGKRZSA-N 299.396 0.256 0 50 CCAA O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCOCC1 6939511 PJKYKQJLAJVIHS-UHFFFAOYSA-N 293.348 0.893 0 50 CCAA COCCN1CN(C(=O)c2oc(C)cc2C)CC1=O 282461815 MUPYWRURXGNBTH-UHFFFAOYSA-N 266.297 0.785 0 50 CCAA CCOC(=O)C(=CNCCc1c[nH]cn1)C(=O)OCC 102197095 KVOCWGDQYYTKAW-UHFFFAOYSA-N 281.312 0.552 0 50 CCAA C[C@H](C(=O)N1CCC[C@H]1[C@H]1CCCN1C)S(C)(=O)=O 248095986 CYVQNJKYHDKQKM-UTUOFQBUSA-N 288.413 0.505 0 50 CCAA CC(C)c1cc(C(=O)N2C[C@H](N(C)C)C[C@H]2CO)n[nH]1 67820073 AWWRJVYRMUMRHO-MNOVXSKESA-N 280.372 0.670 0 50 CCAA CCNc1nc(OC)nc(SCC(=O)OC)n1 4488449 IVRWIWUQNSGHPX-UHFFFAOYSA-N 258.303 0.577 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc(CC(C)C)no1 67727479 APDDBQGMKWGPBY-KOLCDFICSA-N 294.355 0.161 0 50 CCAA O=C(CCn1cccn1)Nc1ccn([C@H]2CCNC2)n1 328640937 XQQPCFUEDCRGJA-NSHDSACASA-N 274.328 0.643 0 50 CCAA O[C@@H]1CCC[C@@H]1N1CCN(c2ncnc3[nH]ccc23)CC1 360277641 BFTKVGTVQCSLGS-QWHCGFSZSA-N 287.367 0.993 0 50 CCAA O=C(NC[C@@H](O)c1ccccc1F)[C@H]1CSCN1 153565698 OOVOLVKNGWVGRM-GHMZBOCLSA-N 270.329 0.638 0 50 CCAA O=C(CCCc1cccs1)NCc1nc(=O)[nH][nH]1 215627426 HSNMITZEXOLKTQ-UHFFFAOYSA-N 266.326 0.799 0 50 CCAA NC[C@H]1CC[C@H](NC(=O)N2CCc3ccnc(O)c3C2)C1 333486662 CUEBSYFYUIWQKS-JQWIXIFHSA-N 290.367 0.982 0 50 CCAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCNC(=O)C1)CC2 246032017 PWRBVCPOXSZKGH-IHRRRGAJSA-N 293.411 0.986 0 50 CCAA CCC(=O)NCCNc1cc(N2CCOCC2)nc(C)n1 72442096 YACFOXBJPPOIIK-UHFFFAOYSA-N 293.371 0.560 0 50 CCAA CC(=O)N[C@H](C(=O)N[C@@H](C)[C@H]1CCCO1)C(C)C 240897278 IRTGCTBEHRLKHN-WCQGTBRESA-N 256.346 0.831 0 50 CCAA NCc1cn([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)nn1 72168643 RNTCXEBTEFAMDX-CABCVRRESA-N 299.378 0.322 0 50 CCAA C[C@H]1C[C@@H](NC(=O)c2csnn2)CN1C1CC1 177037423 COEPEMVOHRSGNS-JGVFFNPUSA-N 252.343 0.893 0 50 CCAA Cc1cccnc1C[C@@H](C)NC(=O)N1CCNC(=O)CC1 426536545 SFKUBUMPTPMMSE-GFCCVEGCSA-N 290.367 0.853 0 50 CCAA CC(=O)NCc1cc2n(n1)CCN(CCN1CCCC1)C2 426486556 ZMTGZWLLHIABFU-UHFFFAOYSA-N 291.399 0.431 0 50 CCAA CNc1cc(C(=O)NC2(C(=O)O)CCCC2)ccn1 426396007 UUWICLHPQLCXMP-UHFFFAOYSA-N 263.297 1.251 0 50 CCAA O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCc2ncccc2C1 91416642 PXVKDGXCUPKOOG-GFCCVEGCSA-N 285.347 0.977 0 50 CCAA CCN(C)c1cc(N2CCC3(CC2)[C@@H](O)C[C@H]3O)ncn1 91441551 DGVZKBQZHATKKH-TXEJJXNPSA-N 292.383 0.645 0 50 CCAA CCn1ccc(C(=O)NC2(C(=O)O)CCCC2)cc1=O 426428793 OBQHNGUNSDLZIO-UHFFFAOYSA-N 278.308 0.995 0 50 CCAA N[C@H]1CN(C(=O)CCCc2cn[nH]c2)C[C@@H]1C1CC1 91326328 ZJUSVDWTEXJIEJ-OLZOCXBDSA-N 262.357 0.928 0 50 CCAA O=C([C@H](c1cccnc1)N1CCOCC1)N1CCC1 97742715 UNGSMHOIOXNAKW-ZDUSSCGKSA-N 261.325 0.687 0 50 CCAA O=C1C[C@H](c2nc(CN3CCOCC3)no2)CN1C1CC1 96133696 RERYIWPXDMAVOD-JTQLQIEISA-N 292.339 0.380 0 50 CCAA Cc1c[nH]c(CN2CCC3(CC2)[C@@H](O)C[C@H]3O)c(C)c1=O 91896616 XDXQNHRBMAFCHA-OKILXGFUSA-N 292.379 0.699 0 50 CCAA C[C@@H]1CN(C(=O)NCc2ccccc2F)CC(=O)N1 296378916 PORFSVGMNRPREN-SECBINFHSA-N 265.288 0.856 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)CCOC[C@H]2CCCO2)C1 299743934 QATBIGBONPGQNC-WDEREUQCSA-N 271.313 0.505 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CCC[C@@H](CN)C1 534576799 KSDHITWAEBHOJO-NSHDSACASA-N 286.401 0.823 0 50 CCAA COCCc1noc(CNC(=O)c2cccnc2OC)n1 534580377 ZYNIIMHWQBFZMK-UHFFFAOYSA-N 292.295 0.592 0 50 CCAA COC(=O)c1cn(Cc2cccn2C)cc2c(=O)[nH]nc1-2 263588157 PWPHNIVEOPNXDL-UHFFFAOYSA-N 286.291 0.850 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N1CCc2ncnc(O)c2CC1 299767341 GBKFXLUDLKSSOJ-UHFFFAOYSA-N 299.334 0.635 0 50 CCAA O=C([C@@H]1C[C@@H](O)CN1)N1CC(Oc2cccc(Cl)c2)C1 299766747 FFNWBSRLMVOEFK-MFKMUULPSA-N 296.754 0.652 0 50 CCAA CS(=O)(=O)NCCC(=O)NCc1nc2ccccc2o1 570677027 NHDJGPCAJWKYRW-UHFFFAOYSA-N 297.336 0.383 0 50 CCAA CCC[C@H](CNS(=O)(=O)N1CCCC1)N(C)C 822790900 RVBZNZCFDUTJLO-LLVKDONJSA-N 263.407 0.647 0 50 CCAA CN1CCN(Cc2ccncc2F)C[C@H]1CCO 828747292 VTQGKEJNLAYQFW-GFCCVEGCSA-N 253.321 0.719 0 50 CCAA N[C@H](CO)C(=O)NCCCCN1CCCCCC1 828793342 IMKMCKWACVWPSK-GFCCVEGCSA-N 257.378 0.078 0 50 CCAA CN1CCC[C@H](C(=O)NCc2cnc3cnccn23)C1 670457161 RZGIIZMJHKBOOQ-NSHDSACASA-N 273.340 0.687 0 50 CCAA O[C@@H]1C[C@@H]2CN(CC3OCCO3)Cc3cccnc3N2C1 1875268210 MBIDUKWWZNNBIS-CHWSQXEVSA-N 291.351 0.210 0 50 CCAA CC[C@](C)(O)[C@H](O)C(=O)NCCc1cccc(OC)c1 1875335603 XSDVRRKOTNOVHU-HIFRSBDPSA-N 281.352 0.876 0 50 CCAA C=CC(=O)NC[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1875368165 WENMQACHZPFZHM-WDEREUQCSA-N 272.370 0.493 0 50 CCAA Cc1cnc(N2CCN([C@]3(C(=O)O)CCOC3)CC2)nc1 952852867 ZWMRBHLYIOJFES-CQSZACIVSA-N 292.339 0.151 0 50 CCAA CNC(=O)NCc1cn(C[C@H](O)c2ccc(F)cc2)nn1 899714056 OSHMDGDCXIWUHG-LBPRGKRZSA-N 293.302 0.580 0 50 CCAA CCOCCN1CCN(CCC(=O)N(C)C)C[C@H]1C 247976388 IQIDLZLSEXEMTK-CYBMUJFWSA-N 271.405 0.507 0 50 CCAA CCN(C[C@@H](O)C(F)(F)F)C(=O)/C=C/CN(C)C 275106557 BFTKDBMLQHUHBA-VUHVRTRXSA-N 268.279 0.876 0 50 CCAA O=C(c1cc(Cl)c[nH]1)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617758 OGZBVEASRAMLEN-LBPRGKRZSA-N 295.730 0.910 0 50 CCAA C[C@@H](Cc1ccccn1)NC(=O)c1ccc2c(c1)B(O)OC2 585004658 KDHWJANDHXQEDI-NSHDSACASA-N 296.135 0.660 0 50 CCAA CCCCOc1ncccc1CNC(=O)C(N)=O 585121978 IJGFVONRWBOBHQ-UHFFFAOYSA-N 251.286 0.362 0 50 CCAA CC[C@@H]1C(=O)NCCN1Cc1cc(C(=O)OC)no1 585116659 DNPINELSYSPGGY-SNVBAGLBSA-N 267.285 0.172 0 50 CCAA c1cnc(CN2CCC[C@H]2CN2CCOCC2)nc1 192044372 OPSSNNBVWFVLIG-ZDUSSCGKSA-N 262.357 0.773 0 50 CCAA Cn1nnnc1CCNC(=O)N1CCC[C@@H]1[C@H]1CCCO1 671210648 VQNLZARVBSGDTJ-GHMZBOCLSA-N 294.359 0.106 0 50 CCAA CCN1CCC[C@H]1C(=O)N1CCC[C@@]1(C)C(=O)O 1506407490 OOTYERIZNCOZOX-GWCFXTLKSA-N 254.330 0.936 0 50 CCAA CN(C[C@@H]1CCCN(CCO)C1)C(=O)c1cccc(O)n1 1506401665 KZBSYLACRSMSNA-LBPRGKRZSA-N 293.367 0.564 0 50 CCAA Cc1nc(CN2C[C@@H]3CNC(=O)C[C@@H]3C2)n(C)c1C 1857685350 ITLHXEMGQHAUNB-NEPJUHHUSA-N 262.357 0.605 0 50 CCAA Cc1c(CNS(=O)(=O)N2CC[C@H](C)C2)cnn1C 408130581 DYMTWHGRACAJSB-VIFPVBQESA-N 272.374 0.405 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccnn1C 353191985 LUJVMGOIGCRHNT-ONGXEEELSA-N 253.302 0.344 0 50 CCAA C=CC(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1120553224 VAMMTVCWQCCVCF-JTQLQIEISA-N 255.314 0.704 0 50 CCAA C[C@H](NC(=O)N[C@@H](C)c1nnnn1C)c1cncc(F)c1 1615615940 VIYPPPOSOJBSLZ-YUMQZZPRSA-N 293.306 0.866 0 50 CCAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cncc(O)c1)C2 1857667369 QTEMWWUDTPDMBT-CQSZACIVSA-N 291.307 0.844 0 50 CCAA CN(CCn1cnc2ccccc21)C(=O)[C@@H]1CCC(=O)N1 1857682778 RXNYTPLBZKSJCQ-LBPRGKRZSA-N 286.335 0.773 0 50 CCAA Cn1nc(-c2ccccc2)c2c1CCN(CC(N)=O)CC2 1857698166 GHRZXKKJIJMPKJ-UHFFFAOYSA-N 284.363 0.973 0 50 CCAA C[C@H]1CCN[C@H](C(=O)Nc2cc(C(N)=O)n(C)c2)C1 335627386 QQBDWNIAQZYYRV-WPRPVWTQSA-N 264.329 0.451 0 50 CCAA O=C(C[C@@H]1CCCCO1)Nc1ccn([C@H]2CCNC2)n1 328614294 AFUONWMGPDZCLJ-RYUDHWBXSA-N 278.356 1.315 0 50 CCAA O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)N1CCCC1 681505659 NMYPWZNSPVTKLM-JTQLQIEISA-N 298.368 0.870 0 50 CCAA Cc1ccc2[nH]c(CNC(=O)[C@H]3NCCO[C@@H]3C)nc2c1 262127610 GFGHQBYRHQOWFW-YGRLFVJLSA-N 288.351 0.864 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 861947966 FKFINLOKJLAHGV-NEPJUHHUSA-N 278.352 0.658 0 50 CCAA C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(N)=O 4837881 TXDUUZHMELQCPI-SECBINFHSA-N 278.333 0.992 0 50 CCAA CNS(=O)(=O)C1CCN(Cc2nc(C)oc2C)CC1 659916778 ODTOIYKNDIJKHP-UHFFFAOYSA-N 287.385 0.805 0 50 CCAA CO[C@H]1C[C@H](NCC(=O)N2CCOCC2)C12CCC2 308390247 IVYBWYRSCSOSGL-RYUDHWBXSA-N 268.357 0.392 0 50 CCAA O=C(O)[C@H]1C=CCN1C(=O)c1ccc2c(c1)OCCO2 426441699 DGSOAJUHGZCLNR-SNVBAGLBSA-N 275.260 0.923 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(Cc1cnns1)C1CC1 331463780 ITVCMPVHTUBEFQ-QMMMGPOBSA-N 275.399 0.936 0 50 CCAA CC(C)(O)CCN1CCC[C@@H](N2CCCS2(=O)=O)C1 366112593 AVBAGUPGNXWIDV-GFCCVEGCSA-N 290.429 0.647 0 50 CCAA OCC[C@@H]1CN(CCc2ccc3c(c2)CCO3)CCN1 710471276 BKJKTQUTWGSIIQ-OAHLLOKOSA-N 276.380 0.820 0 50 CCAA OC1(c2cn(CCO[C@@H]3CCOC3)nn2)CCC1 899734873 ATBAAGKSUVNWHN-SNVBAGLBSA-N 253.302 0.455 0 50 CCAA C[C@H]1CCn2c(C(=O)N[C@H]3C=CS(=O)(=O)C3)cnc2C1 2325804984 HDOCBWWPISIXIZ-UWVGGRQHSA-N 295.364 0.506 0 50 CCAA CC1(C)[C@@H](CN)C[C@@H]1NC(=O)c1cccn2c(O)nnc12 2325854653 OJQQRWVBVFUDLK-SCZZXKLOSA-N 289.339 0.538 0 50 CCAA CC(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C 415607 BSHSZGZESMPNGE-UHFFFAOYSA-N 268.342 0.471 0 50 CCAA CN1CCN(Cc2cccc3nonc23)C[C@@H]1CCO 23373453 GFUIKDAXBZBXKO-LBPRGKRZSA-N 276.340 0.721 0 50 CCAA C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)[C@H]2CCOC2)C1 353099074 UQRRFUCLRZVNMY-UPJWGTAASA-N 290.429 0.815 0 50 CCAA O=C(NCCn1ncnn1)c1ccc(Cl)cc1F 353021091 REHCIFVJAWMIEJ-UHFFFAOYSA-N 269.667 0.896 0 50 CCAA CCN(CC)CCNC(=O)C(=O)Nc1ccccc1O 170360559 DYQZYZRCRPQMKS-UHFFFAOYSA-N 279.340 0.789 0 50 CCAA Cn1nccc1S(=O)(=O)NC[C@@H]1CCn2ccnc2C1 328629136 OLCTVNCWHBJZAX-SNVBAGLBSA-N 295.368 0.158 0 50 CCAA COC[C@H](NC(=O)c1cnccn1)c1ccnn1C 67934723 PZJSDXNXHCYFHY-JTQLQIEISA-N 261.285 0.328 0 50 CCAA Nc1nccnc1C(=O)Nc1ccc2c(c1)C(=O)NCC2 605025692 UFBCCBFQTRDOCD-UHFFFAOYSA-N 283.291 0.597 0 50 CCAA Cn1ncc(C(=O)N2CC(O)(C3CC3)C2)c1C1CC1 329922419 TWILBRYHAQIATL-UHFFFAOYSA-N 261.325 0.894 0 50 CCAA CN1CC(=O)N(CC(=O)NC2(C(=N)O)CCCCC2)C1=O 330496835 XFKUBTSNDJMCFN-UHFFFAOYSA-N 296.327 0.235 0 50 CCAA CCN(Cc1cnn(C)c1)C(=O)c1cnns1 330401764 UHXJBBANQCRSPV-UHFFFAOYSA-N 251.315 0.934 0 50 CCAA O=C(O)CCC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 261681186 CQEOBJJGQTUJIT-SNVBAGLBSA-N 294.282 0.912 0 50 CCAA Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)O)ccn1 235835112 WYXPXNWYGJMCPZ-LLVKDONJSA-N 264.281 0.706 0 50 CCAA O=C(COCC1CC1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 262390675 MSPMGGQLCXEZLO-SMDDNHRTSA-N 283.324 0.363 0 50 CCAA O=C(CCC(F)(F)F)N1CCO[C@@]2(CNCCOC2)C1 72156105 LRLKNYCODZPZTM-NSHDSACASA-N 296.289 0.546 0 50 CCAA CCc1nc(CN(C)C(=O)c2cc(CO)ccn2)no1 218902626 NBCPDAQTSQLBPK-UHFFFAOYSA-N 276.296 0.792 0 50 CCAA COc1cc(C)sc1C(=O)N1CCNC(=O)[C@@H]1CCO 215217428 GXRNDJUSVMCUKN-VIFPVBQESA-N 298.364 0.388 0 50 CCAA CC(C)CN1CCN(C(=O)CCn2cncn2)[C@@H](C)C1=O 77439105 CADRJJIZIAEZKB-LBPRGKRZSA-N 293.371 0.384 0 50 CCAA O=C1CCCN1[C@H]1CCCN(CCCn2cc[nH]c2=O)C1 71730240 RTNMWAHHVXLOQU-ZDUSSCGKSA-N 292.383 0.653 0 50 CCAA CN(CC(=O)O)c1ccnc(N2CCCCC2)n1 263388412 FOGFBLYXKAQOIT-UHFFFAOYSA-N 250.302 0.988 0 50 CCAA N[C@@H]1CC[C@@H]1NC(=O)CCc1n[nH]c2c1CCCC2 72153588 OCNXPAFQXWBMMQ-MFKMUULPSA-N 262.357 0.827 0 50 CCAA C[C@@H]1O[C@H](C)[C@@H](C(=O)N2CC3CC2(C(N)=O)C3)[C@H]1C 529527599 VBSNATBEXJQBEH-IYZOAKKSSA-N 266.341 0.522 0 50 CCAA Cn1cc([C@H](NC(=O)C2(CO)CC2)C2CC(O)C2)cn1 223115313 VIBLLUBCNINMBL-QEWOUOOISA-N 279.340 0.121 0 50 CCAA CN(C)C(=O)CSc1nnc(C2CCNCC2)n1C 426478193 WOBBKIPGPYVGJU-UHFFFAOYSA-N 283.401 0.462 0 50 CCAA CC(C)(C)c1cc(CNC(=O)N2CCCNC(=O)C2)[nH]n1 426477412 OIBVETHHJCUOCK-UHFFFAOYSA-N 293.371 0.739 0 50 CCAA NC(=O)c1cnn(CCc2noc(-c3ccoc3)n2)c1 225555914 FTBXZGSBRHKQLW-UHFFFAOYSA-N 273.252 0.868 0 50 CCAA Cc1cc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n(C)n1 91792871 CCNRQAUOHNVWLA-NSHDSACASA-N 292.383 0.992 0 50 CCAA CCCc1cc(C(=O)N2CC[C@H]2C(=O)O)n(C)n1 95372354 KDMSFYIVVYNBQY-VIFPVBQESA-N 251.286 0.672 0 50 CCAA Cc1nonc1OCCn1cc(-c2ccc(CO)o2)nn1 91587224 PAWWZBKSIFCZMB-UHFFFAOYSA-N 291.267 0.801 0 50 CCAA CC[C@@H](C)[C@@H](CO)NC(=O)C1(n2cnnn2)CCCCC1 252494709 OCIXMZNNDUMQOZ-VXGBXAGGSA-N 295.387 0.856 0 50 CCAA Cc1nc(N2CCOCC2)ccc1NC(=O)C1(N)CC1 353738356 MHCBNRHZTXBAOP-UHFFFAOYSA-N 276.340 0.656 0 50 CCAA CC(=O)N1CCC(C(=O)NCC[C@@H]2CCOC2)CC1 534586353 YVZPIUGTONKQJU-GFCCVEGCSA-N 268.357 0.788 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccn(C(F)F)n1 534637876 JVYUEPPWBTVASD-IUCAKERBSA-N 275.255 0.812 0 50 CCAA CN1CC[C@H](NC(=O)C2CCN(C3CCOCC3)CC2)C1 823755215 IULPSEWNWCXVFT-AWEZNQCLSA-N 295.427 0.698 0 50 CCAA CCO[C@H]1COC[C@@H]1NS(=O)(=O)N1CCCCCC1 823350070 IHDDZBJWMGMMPD-RYUDHWBXSA-N 292.401 0.501 0 50 CCAA COc1ccccc1CCc1nc(CC(N)=O)n[nH]1 584892542 DKLLEXRMXIGOAC-UHFFFAOYSA-N 260.297 0.626 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)NCc1cccs1 824506326 AMCHVRHCCWKPGZ-UWVGGRQHSA-N 256.327 0.961 0 50 CCAA C[C@H]1CN(C(=O)N2C[C@H]3C[C@H]3C2)CCS1(=O)=O 1875272598 QBZOFNBUODBOAN-LPEHRKFASA-N 258.343 0.177 0 50 CCAA CN(C)C/C=C/C(=O)N(C)CCC(=O)NC1CC1 1875375915 UWNHJAORDMWCLO-SNAWJCMRSA-N 253.346 0.231 0 50 CCAA C=CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1ccnn1C 1875366781 VRDOOZZXUXVAMJ-JQWIXIFHSA-N 266.320 0.635 0 50 CCAA CCNc1cccnc1C(=O)NCCNC(=O)OC 952993641 JCVSAAMYDWOEBG-UHFFFAOYSA-N 266.301 0.599 0 50 CCAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCC1CC1 886025376 KQKGKOFMTHZGNZ-GFCCVEGCSA-N 287.319 0.653 0 50 CCAA CCc1onc(C)c1CNC(=O)N1CCOCCN1 896758727 XSHBSTDINKGPEN-UHFFFAOYSA-N 268.317 0.592 0 50 CCAA CC(C)(C)OC(=O)N1CCOC[C@]2(CNCCO2)C1 54956968 MHCIEKBNVVEZOO-ZDUSSCGKSA-N 272.345 0.612 0 50 CCAA in-vitro CN(Cc1nccs1)S(=O)(=O)c1ccnn1C 274176346 OUNCBOITSPROAD-UHFFFAOYSA-N 272.355 0.697 0 50 CCAA CCN1CCN([C@@H](C)CNc2cc(OC)ncn2)CC1 676197433 KGUZNRSOYDADMS-LBPRGKRZSA-N 279.388 0.923 0 50 CCAA CO[C@H]1CN(C(=O)NCCCn2cccn2)C[C@H]1OC 277247473 PONVXETZSLKIFB-TXEJJXNPSA-N 282.344 0.328 0 50 CCAA CC1(C)OC(C)(C)C(=O)N([C@H]2CCSC2)NC1=O 634628197 SUQVAHJVYHGWPO-QMMMGPOBSA-N 272.370 0.939 0 50 CCAA C[C@H]1[C@@H](N(C)C)CCN1Cc1nnnn1C(C)(C)C 585116308 PYRDJNYYBVYUSO-QWRGUYRKSA-N 266.393 0.953 0 50 CCAA CCC1(S(=O)(=O)NC(=O)c2cc3n(n2)CCC3)CC1 408497565 ROTHTTGIIKCAEN-UHFFFAOYSA-N 283.353 0.832 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)CO)[C@@H]1Oc1ccccc1 189143458 WDCWBZRZTVPWLS-SCRDCRAPSA-N 265.309 0.720 0 50 CCAA Cn1c(CSC[C@@H](O)C(F)(F)F)cc(=O)n(C)c1=O 191098430 VDMOIKFTYYSZJQ-SSDOTTSWSA-N 298.286 0.240 0 50 CCAA C[C@H](O)CN1CCN(Cc2ccc(=N)[nH]c2)C[C@H]1C 647515835 TWPHQRLFXZLJKI-NEPJUHHUSA-N 264.373 0.381 0 50 CCAA CC(C)COC[C@H](O)Cn1nnc(-c2ccco2)n1 193411167 IZTHBPYIHHYDMX-SNVBAGLBSA-N 266.301 0.967 0 50 CCAA CCCCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 195172312 WVLSLWFOOXSDDE-CYBMUJFWSA-N 281.400 0.942 0 50 CCAA NC(=O)NC1CCN(C(=O)[C@]2(C(=O)O)CC=CCC2)CC1 653301443 WKEANOLQLHODNI-AWEZNQCLSA-N 295.339 0.457 0 50 CCAA O=C(N[C@@H]1CCCCNC1=O)c1n[nH]c2c1CCCC2 96150196 UYQXJGLAKYWPHG-LLVKDONJSA-N 276.340 0.687 0 50 CCAA CCC(=O)c1ccc(OCC(=O)N[C@H]2CNC[C@@H]2O)cc1 208329562 IFYXDGVMESFEHC-JSGCOSHPSA-N 292.335 0.107 0 50 CCAA COCCN1CCC[C@H](C(=O)Nc2nccn2C)C1 1529190103 DRONFNBXOMBBKZ-NSHDSACASA-N 266.345 0.717 0 50 CCAA CCNC(=O)C1(NC(=O)[C@@H]2CCOC2)CCCC1 252482042 CXCAPGAVIQZDIO-SNVBAGLBSA-N 254.330 0.588 0 50 CCAA CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1 370916083 FUNRDRPUIJXTOK-AAEUAGOBSA-N 250.346 0.939 0 50 CCAA Cc1ccc(NC(=O)CN2CC(=O)NC2=O)cc1C 264774946 VWBCPGLGXCUHBG-UHFFFAOYSA-N 261.281 0.794 0 50 CCAA Cn1cnn(CC(=O)NC[C@H]2CCCC2(F)F)c1=O 1615589927 HMJFPMLWNWGQNP-MRVPVSSYSA-N 274.271 0.133 0 50 CCAA CC[C@H](NC(=O)CCc1ccccc1)[C@H](O)C(=O)O 1615551869 QGUJIQMQRSASBP-AAEUAGOBSA-N 265.309 0.960 0 50 CCAA CN(C)C(=O)[C@H]1CN(c2ncnc3cc[nH]c23)CCO1 1772805371 MKMJZCUYCTUKSJ-SNVBAGLBSA-N 275.312 0.251 0 50 CCAA O=S(=O)(NCc1cn2c(n1)CCCC2)C1CC1 266197108 RSTNWFWOQGDOFO-UHFFFAOYSA-N 255.343 0.801 0 50 CCAA Cn1ccnc1C(=O)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3)C1 1857688675 WDTCNIVWFAONKL-JYAVWHMHSA-N 290.367 0.546 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cc2c(cn1)OCCO2 566969973 UZYPTWBIDDQUEW-BDAKNGLRSA-N 291.307 0.250 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H]1CC(=O)O 262993532 QNQVENDNLFVTSG-NSHDSACASA-N 295.339 0.881 0 50 CCAA CNC(=O)[C@H]1CN(S(=O)(=O)C2CC2)c2ccccc2O1 263872001 ZHXIRTAMKXMVPA-GFCCVEGCSA-N 296.348 0.492 0 50 CCAA CN1CC[C@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)C1=O 163836609 UWHMMYRXFSADEK-XQQFMLRXSA-N 289.335 0.175 0 50 CCAA COC(=O)c1nc[nH]c1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 905218397 HZMDICSTYORIMP-KUIGQIJESA-N 277.280 0.558 0 50 CCAA C[C@@H]1CC(=O)c2cnc(N3CCN(C)CC3)nc2C1 9287069 ZLSFFCKMKQNWPK-JTQLQIEISA-N 260.341 0.993 0 50 CCAA Cn1nncc1NC(=O)NC[C@@H]1CCCCN1C1CC1 931275796 UJXZYRYPHRZQQL-NSHDSACASA-N 278.360 0.954 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)CCc1cccnc1 129319906 QOFCGUJRAFLMND-GFCCVEGCSA-N 278.308 0.716 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NN1CCOCC1 239046929 FZGXONSIECFBAS-NNYUYHANSA-N 280.324 0.263 0 50 CCAA CC(=O)Nc1nc(C(=O)N2C[C@@H](O)C(C)(C)C2)cs1 279290266 KVTDXYVDEDQQKV-SECBINFHSA-N 283.353 0.944 0 50 CCAA C[C@@H]1CN(C(=O)C2=NN(C)C(=O)CC2)CC[C@@H]1C(=O)O 312838801 KLASHPMYIXRHNP-BDAKNGLRSA-N 281.312 0.164 0 50 CCAA Cc1cn(CCN[C@H]2CCOC3(CCOCC3)C2)nn1 82096596 JYOLEYWKNBQSBK-ZDUSSCGKSA-N 280.372 0.904 0 50 CCAA O=C(O)CN1CCC(NC2CSCCSC2)CC1 534581901 BNABSJAQLWYWCB-UHFFFAOYSA-N 290.454 0.974 0 50 CCAA O=C(c1ccco1)c1no[n+]([O-])c1C(=O)c1ccco1 4744684 CFCYEMMQXVMYQE-UHFFFAOYSA-N 274.188 0.956 0 50 CCAA Cn1ncc2ncc(C(=O)N[C@H]3CCc4n[nH]cc4C3)cc21 2100539817 ZQIVWQVDOLUASL-NSHDSACASA-N 296.334 0.979 0 50 CCAA O=C1CC[C@@H](CNC(=O)c2n[nH]cc2-c2ccncc2)N1 2325798086 MGOWNIHTXTXAMQ-JTQLQIEISA-N 285.307 0.480 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1COc2cc(C=O)nn2C1 2325904001 AMBIRBRJVSDCCI-VIFPVBQESA-N 267.285 0.981 0 50 CCAA COC(=O)COc1ccccc1OCC(=O)OC 283828 LMSWPJWMWGZNFA-UHFFFAOYSA-N 254.238 0.790 0 50 CCAA CCN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1 4838905 GLGUKOJZYGZAAZ-UHFFFAOYSA-N 282.365 0.976 0 50 CCAA CCn1ncc(CN2CCN(C)[C@@H](CCO)C2)c1C 23128641 DWKRTDRQBMPCHZ-AWEZNQCLSA-N 266.389 0.710 0 50 CCAA CSCC[C@H](NC(=O)Cn1cccn1)C(=O)O 20258258 ZGAJXYOCPRBOFS-QMMMGPOBSA-N 257.315 0.206 0 50 CCAA CCCNC(=O)[C@H](C)N[C@@H]1CCCCC[C@H]1C(N)=O 253369943 KITPZUVBQFIAHX-QJPTWQEYSA-N 269.389 0.925 0 50 CCAA COc1cnc(NC(=O)c2ccc(-n3cnnn3)cc2)cn1 253417529 YUKZYLCBHDHHRQ-UHFFFAOYSA-N 297.278 0.713 0 50 CCAA CN1C[C@H](CN=c2ccc(C(N)=O)n[nH]2)Cc2ccccc21 364649450 CRQKHIXKMMJZMK-NSHDSACASA-N 297.362 0.718 0 50 CCAA CN(C)C(=O)CN1CCCN(Cc2ccc(F)cn2)CC1 364895063 MNIFPWIETOZCHM-UHFFFAOYSA-N 294.374 0.817 0 50 CCAA CCN1CCN(C(=O)c2nc(C)c(C)nc2O)[C@H](C)C1 329289130 MXHMHYLFEQLYKD-SECBINFHSA-N 278.356 0.965 0 50 CCAA Cc1cc(=O)cc(C(=O)NC2(C(=O)O)CCOCC2)o1 218262054 XPVFDFODTHZHIR-UHFFFAOYSA-N 281.264 0.312 0 50 CCAA N[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1O 39171579 VKBBZJXAWNVLSE-VXGBXAGGSA-N 250.298 0.717 0 50 CCAA in-vitro COCCn1ccnc1CN1C[C@H](N(C)C)C[C@H]1CO 215801298 BTMAKBLCVYLDGW-OLZOCXBDSA-N 282.388 0.026 0 50 CCAA COCCc1noc(CN2CC[C@]3(C2)CN(C)C(=O)O3)n1 72149578 CUCIUHHHJYBXAM-CYBMUJFWSA-N 296.327 0.285 0 50 CCAA CC(=O)N1CCO[C@H](Cn2ccnc2-c2nccn2C)C1 77377637 FMOGELHXUMYVNU-LBPRGKRZSA-N 289.339 0.531 0 50 CCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCSC(C)(C)C1 335332020 PQPPXKRSDMUAMN-WDEREUQCSA-N 286.397 0.322 0 50 CCAA CSCCCN1CCn2nc([C@H](O)CO)cc2C1 220159124 STCKJQBCFUDLRA-GFCCVEGCSA-N 271.386 0.478 0 50 CCAA CN1CC[C@H](NC(=O)c2cc(F)ccc2O)C1=O 80029634 UQVPMUYIMIKEMK-VIFPVBQESA-N 252.245 0.492 0 50 CCAA CC(C)c1nnsc1CNC(=O)[C@@H]1COC(=O)N1 426534426 HSAPPIIQEVUMJZ-LURJTMIESA-N 270.314 0.386 0 50 CCAA O=C(Cn1nccc1[C@@H]1CCCNC1)N1CCOCC1 426506536 DEJQNPWYSZNPHI-GFCCVEGCSA-N 278.356 0.209 0 50 CCAA COc1ccnc(C(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)c1 426473339 BGQHCXFETMAYCM-DJBIQUGXSA-N 292.335 0.294 0 50 CCAA COCCN(C)C[C@@H]1CN(c2ncccn2)C[C@@H]1CO 91987747 YOTPGSMQABZGHB-CHWSQXEVSA-N 280.372 0.100 0 50 CCAA COc1ccc(C(=O)N[C@@H](C)CO[C@H]2CCOC2)nn1 268027853 YDIONBNSVCLRKP-UWVGGRQHSA-N 281.312 0.409 0 50 CCAA COCCn1cnnc1CNC(=O)c1cc(OC)ccn1 244708274 KQLWDKWJTFXRNJ-UHFFFAOYSA-N 291.311 0.258 0 50 CCAA CN1CC[C@H](NC(=O)c2cnc(O)c3ccccc23)C1=O 527047476 OQLGLBIHUYDWCB-LBPRGKRZSA-N 285.303 0.901 0 50 CCAA COC(=O)N1CCCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2N 534656667 UYLBRWWIEPTUTG-RNJOBUHISA-N 295.383 0.803 0 50 CCAA O=C(N[C@@H]1CNC[C@H]1O)C1CCN(C2CCCC2)CC1 534662642 AFTYINCWVKKVBL-ZIAGYGMSSA-N 281.400 0.090 0 50 CCAA CC(=O)NCC(=O)NC[C@@H]1CCN(C2CCCCC2)C1 534642245 ZUQWTRIUNLGKJE-ZDUSSCGKSA-N 281.400 0.893 0 50 CCAA CN(CC1(C)COC1)S(=O)(=O)c1cn(C)cn1 625408047 DTSHUNDQMNOYRE-UHFFFAOYSA-N 259.331 0.077 0 50 CCAA CCn1cc(CNC(=O)N2CC[C@@H](CN(C)C)C2)cn1 287994573 AOXBVUQAQGTQDY-LBPRGKRZSA-N 279.388 0.996 0 50 CCAA O=C(CN1CCOC1=O)NCCc1nc2ccccc2o1 299762203 LYTXUJYICDSYIC-UHFFFAOYSA-N 289.291 0.939 0 50 CCAA Cc1nonc1CC(=O)NCCCn1cc(Cl)cn1 299786375 LFLJRYDUQSOJIA-UHFFFAOYSA-N 283.719 0.977 0 50 CCAA CCN(CC)CCN1CCN(C(=O)c2cncnc2)CC1 299802351 KWRPVTFLQXUGNH-UHFFFAOYSA-N 291.399 0.576 0 50 CCAA CC[C@H](C)[C@@H](CO)NC(=O)CN1CCN(CC)CC1 823112956 UVGQCCUTOLYBOU-QWHCGFSZSA-N 271.405 0.147 0 50 CCAA COCCn1cnnc1CN(C)Cc1cc(C)[nH]n1 824463892 IPOAAUBSGQYKLT-UHFFFAOYSA-N 264.333 0.588 0 50 CCAA O=C1NC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1 828301524 MOEYVYXWYZCIPE-GFCCVEGCSA-N 274.320 0.393 0 50 CCAA O=c1c2nccnc2ncn1C[C@@H](CO)Cc1ccco1 584898391 KWCXIVNOBUNLBF-JTQLQIEISA-N 286.291 0.631 0 50 CCAA COCCN(C)CC(=O)N1CCC[C@H](CN2CCCC2)C1 584898184 HYNFCPAGCNOCSI-OAHLLOKOSA-N 297.443 0.899 0 50 CCAA O=C(O)CNS(=O)(=O)c1cnc(C2CC2)s1 1548453500 PIZJMXWAZLSCRZ-UHFFFAOYSA-N 262.312 0.383 0 50 CCAA CCOC(=O)[C@@H](CSC)NC(=O)C1(n2cncn2)CC1 1875283874 HGUIYVVVGCMNFJ-SECBINFHSA-N 298.368 0.178 0 50 CCAA O=C(NOc1ccc(F)cc1)[C@@H]1CCS1(=O)=O 1875285267 IMTOIDXCHJNSEM-VIFPVBQESA-N 259.258 0.423 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1Cc2cncnc2C1 1350741598 UUOISZSZMOZZQQ-UHFFFAOYSA-N 260.297 0.353 0 50 CCAA Cc1noc(-c2ccnc(N3CCCNC(=O)C3)c2)n1 1164284272 UBMWLKOEMGLJAE-UHFFFAOYSA-N 273.296 0.766 0 50 CCAA COCC(=O)N1CC[C@H](Nc2ncccc2Cl)[C@@H](O)C1 1565510991 DATDFTHUMLLXTM-QWRGUYRKSA-N 299.758 0.755 0 50 CCAA Cc1ccc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2CC(N)=O)o1 275793947 UKMPLXLDFCDOLG-QWRGUYRKSA-N 297.330 0.558 0 50 CCAA CN1CCN(C(=O)c2cc[nH]c2)C[C@@H]1c1nccn1C 276507706 CETBPFATUCWMDD-GFCCVEGCSA-N 273.340 0.877 0 50 CCAA Cn1c(Cn2cc(CCO)nn2)nc2ccccc21 641020072 KOZIHEFTWMCNTK-UHFFFAOYSA-N 257.297 0.748 0 50 CCAA COC(=O)[C@@H](O)C(C)(C)NCc1nc2ccccc2n1C 192305882 GPRFHLZELGVRRC-CYBMUJFWSA-N 291.351 0.975 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(C(=O)O)CC=CCC1 653288942 FYJZDNUPIMFEJX-HFAKWTLXSA-N 292.335 0.535 0 50 CCAA COC[C@]1(C(=O)N2CCC(c3ncc[nH]3)CC2)CCNC1 577277570 UHRXDAYJPWRKJG-HNNXBMFYSA-N 292.383 0.742 0 50 CCAA CO[C@@H]1[C@@H](C)[C@@H](NC(=O)C2(S(C)(=O)=O)CC2)C1(C)C 408205035 PLJZHZBSYXJNRW-IVZWLZJFSA-N 289.397 0.739 0 50 CCAA CN1CC[C@@H](C(=O)N2CCC[C@@H](C(=O)O)C2)CC1=O 133063828 RVWOYEZCTHRJBL-NXEZZACHSA-N 268.313 0.178 0 50 CCAA COCCn1cc(C(=O)NC2CCC3(CC2)C[C@H]3N)cn1 1615545127 DLOWQNZGSBMYMH-JVWICGRDSA-N 292.383 0.919 0 50 CCAA Cc1nc(O)cc(CN2CCN(C)C3(CCOCC3)C2)n1 1775980926 LMVNWUGKOLZWMO-UHFFFAOYSA-N 292.383 0.787 0 50 CCAA OC[C@H](O)C1CCN(c2nnc3ccccn23)CC1 1772709434 HPEUAENEYXHTJY-NSHDSACASA-N 262.313 0.299 0 50 CCAA CC(=O)Nc1nc(C(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cs1 1645808643 ZGCQGADQFHQYGB-BRPSZJMVSA-N 281.337 0.412 0 50 CCAA CC[C@@H](C)NC(=O)CN1CCN(C[C@H](O)C(C)(C)C)CC1 240540868 GPVXDWNAHIKQRP-KGLIPLIRSA-N 299.459 0.926 0 50 CCAA CN(C)[C@H](C(=O)N1CCC(C)(CO)CC1)c1cncn1C 684876861 CKUMUZCUNRASFS-ZDUSSCGKSA-N 294.399 0.644 0 50 CCAA COCCOc1cccc(C(=O)NC[C@](C)(CO)OC)c1 585090936 BJAQISZGVGRVDL-OAHLLOKOSA-N 297.351 0.839 0 50 CCAA CN1C(=O)NCC12CN(C(=O)CCc1cccnc1)C2 1857697782 MLYWEINKKHWGNB-UHFFFAOYSA-N 274.324 0.250 0 50 CCAA O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)N1CCC(c2nnc(O)o2)CC1 908010502 CNOGCCZUUYCMFH-DVVUODLYSA-N 291.307 0.706 0 50 CCAA Cn1nc(C(=O)NCc2ncc3c(n2)CCC3)cc1O 909679475 JBCOHUUCLRRWMJ-UHFFFAOYSA-N 273.296 0.334 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1ccc(F)cn1 818263367 FZTYDDGKFWMYQR-ZDUSSCGKSA-N 267.304 0.687 0 50 CCAA CC[C@H]1C(=O)NCCCN1Cc1nc(C)cc(O)n1 933230017 RSVJQSNUJPVICC-JTQLQIEISA-N 264.329 0.591 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(F)c(F)c1 223631855 NRGUCMBEBQLEFD-GHMZBOCLSA-N 257.236 0.844 0 50 CCAA CC[C@H](C)N(CC(=O)O)CC(=O)N1C[C@H](C)O[C@@H](C)C1 252433629 PGZSVQMUGVQFBB-SRVKXCTJSA-N 286.372 0.807 0 50 CCAA NC[C@H]1CCCCN1C(=O)CCn1ccccc1=O 237944462 BLAOMKRKETXVID-GFCCVEGCSA-N 263.341 0.578 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1ccc2nccn2c1 268986372 QCBLVSLYTFHKIX-SNVBAGLBSA-N 275.264 0.260 0 50 CCAA O=C(CN1CCC[C@H]1c1ccccn1)N1CCNCC1 72169407 GGFRPYOIVKPRGT-AWEZNQCLSA-N 274.368 0.650 0 50 CCAA Cc1c(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cnn1C 426581029 SQJQMHDOEFBEGU-SNVBAGLBSA-N 274.328 0.866 0 50 CCAA OCc1cccc(-c2nc(N3CCOCC3)n[nH]2)c1 2100547359 HKAWKVBCODPVRY-UHFFFAOYSA-N 260.297 0.801 0 50 CCAA O=C(O)C[C@H](CO)CNC1(c2ncccn2)CCOCC1 2325829840 UDPAYSMHYWLXOL-NSHDSACASA-N 295.339 0.155 0 50 CCAA O=C1CC2(CCC2)N(C(=O)[C@@H]2C[C@@]23CCOC3)CCN1 874918115 JXAGOGSUXJOXEX-SMDDNHRTSA-N 278.352 0.684 0 50 CCAA O=S(=O)(c1ccoc1)N1CCO[C@@H]2COCC[C@@H]21 907748365 OWLPHBHEGVQFEY-WDEREUQCSA-N 273.310 0.458 0 50 CCAA CCOc1ccc(N([C@H](C)C(N)=O)S(C)(=O)=O)cc1 196194 VJPINHYLVUCOPK-SECBINFHSA-N 286.353 0.725 0 50 CCAA CC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 6698425 JJQDXVLJMOOGNY-GHMZBOCLSA-N 268.357 0.881 0 50 CCAA Cc1nnc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)o1 53966199 PBRZDVDIMNYWII-SNVBAGLBSA-N 292.339 0.785 0 50 CCAA Cn1cc(C(=O)NCc2n[nH]c(=O)[nH]2)c2ccccc21 119912234 OSGNCPQNOHVJRY-UHFFFAOYSA-N 271.280 0.520 0 50 CCAA Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc[nH]2)cn1 862926773 ZOVJOTWWXPFKMM-NWDGAFQWSA-N 276.296 0.324 0 50 CCAA C[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 229746776 CTTCIXPWSNJDEY-DCAQKATOSA-N 290.385 0.382 0 50 CCAA CCC[C@H]1COCCN1C(=O)CCCS(N)(=O)=O 67955883 XDVCKABODYEEHF-JTQLQIEISA-N 278.374 0.083 0 50 CCAA COCCn1nnc2c1CCN(C[C@H]1CC[C@@H](C)O1)C2 328801085 ZASRKBLLHIVQIL-VXGBXAGGSA-N 280.372 0.850 0 50 CCAA COCCN1CCCN(C[C@H](O)CC(F)(F)F)CC1=O 364954351 NVZICFUOZVMFFN-SNVBAGLBSA-N 298.305 0.480 0 50 CCAA O=C(CCC(F)(F)F)N1CCO[C@]2(CNCCOC2)C1 72156104 LRLKNYCODZPZTM-LLVKDONJSA-N 296.289 0.546 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)cc(=O)[nH]1 216313719 QJOQQVWDZPXKNL-CQSZACIVSA-N 291.307 0.398 0 50 CCAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1ccc(C(N)=O)nc1 237373188 HUPVYUANLVICGH-SKDRFNHKSA-N 276.340 0.522 0 50 CCAA Cc1nnc2ccc(N3CC[C@]4(CCN(C)C4)C3)nn12 292307461 NZLHCTDLUJLYHA-AWEZNQCLSA-N 272.356 0.965 0 50 CCAA CNCc1nnc(SCc2nncn2C(C)C)n1C 426651391 UNKQLRJFGANDRF-UHFFFAOYSA-N 281.389 0.999 0 50 CCAA CCn1ccnc1[C@H]1CCCN(CCC(N)=O)C1 91551444 BPTYJPHVQSHPFO-NSHDSACASA-N 250.346 0.958 0 50 CCAA C[C@H](C(=O)c1c[nH]c2ncccc12)N1CCOC[C@@H](O)C1 295588281 MIKHBRWVLXNANM-MNOVXSKESA-N 289.335 0.827 0 50 CCAA COc1cc(F)ccc1[C@@H](C(=O)O)N(C)CCO 95387491 RBFWHUXPQRJNIE-NSHDSACASA-N 257.261 0.884 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C2(N)CCCC2)CC1=O 299749762 LKYUPSULAPUYCY-MXWKQRLJSA-N 265.357 0.383 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 299744106 QYNCNMTUPDWINK-ZJUUUORDSA-N 257.286 0.115 0 50 CCAA Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)Nc1nnn[nH]1 253407487 JXIVGRSVEHKMQA-UHFFFAOYSA-N 288.311 0.641 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)C1CCOCC1 534592241 PWOJYMHVFWFPRE-KBPBESRZSA-N 282.384 0.783 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)COCC(F)(F)C(F)F 534631684 LTUDCIVHVRTGNG-BQBZGAKWSA-N 288.241 0.006 0 50 CCAA C[C@H](CN1CCOCC1)N=c1nc(N(C)C)[nH]s1 534666861 ADIJUMRWJXSWLV-SECBINFHSA-N 271.390 0.159 0 50 CCAA Cc1cc(=O)cc(C(=O)N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)o1 534667311 TUVFXOFAPLOAMF-MPZDIEGVSA-N 274.320 0.771 0 50 CCAA CCc1n[nH]cc1C(=O)N[C@H](C)c1nncn1CCOC 299800628 UPBWDHRWFBBKAV-SECBINFHSA-N 292.343 0.701 0 50 CCAA CC(C)n1cnnc1CCNC(=O)C[C@@H]1CCNC1 299787745 XUBILKGPAOGDSM-NSHDSACASA-N 265.361 0.517 0 50 CCAA Nc1ncccc1CN1CC[C@H]2[C@H](C1)OCc1cnnn12 299759209 BWJJXAWMMOQERP-STQMWFEESA-N 286.339 0.601 0 50 CCAA CN(C)C[C@H]1COCCN(CC(C)(C)N2CCOCC2)C1 823690218 PJCGXFUDNJIOFE-OAHLLOKOSA-N 299.459 0.607 0 50 CCAA O=C1CN(C(=O)C2(N3CCCC3)CCCC2)CCCN1 828308676 JXIDUGIGZRDZIS-UHFFFAOYSA-N 279.384 0.744 0 50 CCAA COCCN1CC[C@@H](C(=O)NCC2(CO)CCC2)C1 584885864 HBBGROOJRNAXCF-GFCCVEGCSA-N 270.373 0.234 0 50 CCAA CC(C)N1CCC(CC(=O)N[C@H]2CCN(C)C2=O)CC1 828013319 XVRJVYHYTXQPMA-ZDUSSCGKSA-N 281.400 0.844 0 50 CCAA CN(C)C(=O)NCC(=O)N1CC[C@@H](N2CCCCC2)C1 584892819 RRUUEYXHYLUTHV-GFCCVEGCSA-N 282.388 0.344 0 50 CCAA CCOCC(=O)N1CCC(C(=O)N[C@@H]2CCN(C)C2)CC1 670464129 CKFAZRWCECLJEG-CYBMUJFWSA-N 297.399 0.082 0 50 CCAA C=CC(=O)NCCC(=O)N[C@@H](C)C(=O)OC(C)(C)C 269740912 YYCLGWPSYHMSND-VIFPVBQESA-N 270.329 0.525 0 50 CCAA CC(C)(C)n1nnc(CN=c2[nH]nc3n2CCCC3)n1 1875284227 QZHFJVQBRBRZFT-UHFFFAOYSA-N 276.348 0.390 0 50 CCAA CC(C)(C)n1nccc1[C@H](N)C1(O)CCNCC1 958528434 RUJZVIHDOFYIJO-NSHDSACASA-N 252.362 0.752 0 50 CCAA COC(=O)[C@@H]1Cc2ccc(S(N)(=O)=O)cc2C1 1772778246 QYSDAVNQJWRODS-SECBINFHSA-N 255.295 0.222 0 50 CCAA CCn1nccc1CN1CCC[C@](O)(c2cnn[nH]2)C1 1775958878 OWNAZGSXJSRLBP-CYBMUJFWSA-N 276.344 0.505 0 50 CCAA CNC(=O)[C@H]1CN(C(=O)c2ccc(C)c(O)c2)CCO1 273139294 TZJYWHJFRBDHIX-GFCCVEGCSA-N 278.308 0.288 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCn2c(nc(C)c2C)C1 900778028 YVJOZSPYOPAMAL-UHFFFAOYSA-N 290.367 0.877 0 50 CCAA Cc1noc2ncnc(N3CCS(=O)(=O)[C@@H](C)C3)c12 192459730 RBCXZRJMTNUEIE-ZETCQYMHSA-N 282.325 0.550 0 50 CCAA CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2cn[nH]c2)C1 693882685 LIWVNAADEOKMJZ-SECBINFHSA-N 272.374 0.561 0 50 CCAA Cn1nncc1CC(=O)N1CC[C@H](CN2CCCC2)C1 669046349 YCGVPLHLXQCJDH-GFCCVEGCSA-N 277.372 0.302 0 50 CCAA C[C@@H]1[C@H](C(=O)NC2(CO)CCSCC2)CCN1C 585089854 OXYNGKLQXKCDDU-GHMZBOCLSA-N 272.414 0.701 0 50 CCAA O=C1NCCC[C@@H]1N1CC[C@@](O)(c2ccc(F)cc2)C1 777733869 KRVPPEHKROOQQJ-ZFWWWQNUSA-N 278.327 0.998 0 50 CCAA CN(CC[C@@H]1CCCCO1)C(=O)CCCS(N)(=O)=O 1506415855 DHFPWPZHMLFAEQ-NSHDSACASA-N 292.401 0.473 0 50 CCAA Cc1cccc(NC(=O)CC(=O)NCCn2ccnn2)c1 1506398654 PEQXGITUKAYSMP-UHFFFAOYSA-N 287.323 0.732 0 50 CCAA CCNC(=O)c1ccnc(N(C)C[C@H](O)COC)c1 1704305452 QNKXFSOIAXDGQO-NSHDSACASA-N 267.329 0.275 0 50 CCAA CN(C(=O)c1cncn1C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704337448 ZHQGRKYPGLZAJB-OUAUKWLOSA-N 276.340 0.407 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCCc2cccnc2)CC[C@@H]1O 1704304370 QNUMHKPKOCHVNZ-HZSPNIEDSA-N 278.352 0.916 0 50 CCAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCCOC1 539605871 ADRDYYKTRZRBHQ-RYUDHWBXSA-N 285.340 0.895 0 50 CCAA O=c1oc2ccccc2n1CCN1C[C@@H](O)[C@H](F)C1 952984473 WGYDTVNYGGKHNZ-MWLCHTKSSA-N 266.272 0.609 0 50 CCAA Cn1nnc(C(=O)N2CCO[C@@H](c3ccccc3)CC2)n1 1615616133 WPSYJRATFFNCTI-GFCCVEGCSA-N 287.323 0.814 0 50 CCAA COc1ccccc1NC(=O)CN1CCN(C)CC1 20220147 PQFREOYSSRQJAS-UHFFFAOYSA-N 263.341 0.881 0 50 CCAA OCC1(CO)[C@H]2CN(CCCOc3ccccc3)C[C@@H]21 1772809002 ILRRYCGRGCYRDX-GJZGRUSLSA-N 277.364 0.988 0 50 CCAA Cc1cc(CN(C)C(=O)[C@@H]2CCc3ncnn3C2)no1 1857720442 USIOSUXOKFQWRP-SNVBAGLBSA-N 275.312 0.796 0 50 CCAA CCc1noc(C[C@@]2(O)CCCN(C(=O)C3CC3)C2)n1 856695192 FJGXOUZXNDGNPD-AWEZNQCLSA-N 279.340 0.938 0 50 CCAA COc1ncccc1CNC(=O)[C@@H]1C[C@H](OC)CN1C 330544621 UJSHFRHFDSIMRN-RYUDHWBXSA-N 279.340 0.426 0 50 CCAA CC(C)(C)n1cnc(C(=O)N2C[C@@H](F)C[C@H]2CO)n1 332654764 DPGPPIUXMIVXOU-IUCAKERBSA-N 270.308 0.578 0 50 CCAA Cc1ccc(CC(=O)N2CCO[C@@H](C(=O)O)C2)s1 237668667 QJEOUXUJQXGOIY-SNVBAGLBSA-N 269.322 0.911 0 50 CCAA COc1nn(C)cc1CNC(=O)[C@@H](C(=O)O)C(C)C 908122751 YBMOPLXPWSFAFC-VIFPVBQESA-N 269.301 0.402 0 50 CCAA C=CC(=O)N(C)CC(=O)N(C)Cc1nccs1 859789680 VGRGBTNBKSZKAM-UHFFFAOYSA-N 253.327 0.746 0 50 CCAA c1cn([C@H]2CCCN(c3nccn4cnnc34)CC2)nn1 829083528 DXSGUJDWQTXREI-NSHDSACASA-N 284.327 0.947 0 50 CCAA CN(C)c1cccc(C(=O)N(C)[C@H]2COC[C@@H]2O)c1 223197574 XYMNYPXRXJOFNC-STQMWFEESA-N 264.325 0.584 0 50 CCAA COC(CN1CCO[C@@](C)(c2cnn(C)c2)C1)OC 161573401 YHWKOYVUKINIMZ-CYBMUJFWSA-N 269.345 0.586 0 50 CCAA C[C@@H](CN(C)c1cc(N2CCOCC2)ncn1)C(=O)O 263562841 SYWORIJBZJZZJX-JTQLQIEISA-N 280.328 0.470 0 50 CCAA O=C(O)CCN1CCN(C(=O)C[C@H]2CCOC2)CC1 401205153 QREIQHZNWYDJMU-LLVKDONJSA-N 270.329 0.032 0 50 CCAA CC(=O)N[C@H](C(=O)N1CCC[C@@H]([C@H](C)N)C1)C(C)C 570639558 MPJDYXXTFWOFCJ-UHTWSYAYSA-N 269.389 0.733 0 50 CCAA CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cn[nH]c1 823727317 DDSNHRFOFNPFDM-NXEZZACHSA-N 258.347 0.171 0 50 CCAA COC1CC(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)C1 864145984 TVCIUJYLDZBSNA-HTAVTVPLSA-N 285.340 0.655 0 50 CCAA COCCO[C@@H]1CCN(S(=O)(=O)CC[C@H](C)F)C1 2325800476 KCIIDFIGYUSCLZ-WDEREUQCSA-N 283.365 0.802 0 50 CCAA CN(C)C[C@@H](C(=O)NCc1nn[nH]n1)c1ccccc1 2325798150 QSKZVBHNNRFWEB-LLVKDONJSA-N 274.328 0.161 0 50 CCAA CN(C)[C@H]1CCN(c2cc(C(N)=O)nc(C3CC3)n2)C1 2325806050 OYKRIGSFKLEGGS-JTQLQIEISA-N 275.356 0.593 0 50 CCAA O=C(NS(=O)(=O)Cc1ncon1)[C@@H]1C[C@@H]2C[C@@H]2C1 2325821711 UBMUFKFZCPYOKU-JIGDXULJSA-N 271.298 0.062 0 50 CCAA CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1 201649 XKZDSAVFHPKHNV-MNOVXSKESA-N 254.330 0.651 0 50 CCAA [O-][n+]1c2c(nn1-c1ccccc1)-c1nonc1CC2 291844 FENKWMQFUACZHL-UHFFFAOYSA-N 255.237 0.654 0 50 CCAA C[C@@H](Oc1ccccc1)C(=O)N[C@H]1CCCNC1=O 405641 YVYVUBSLVFANKA-PWSUYJOCSA-N 262.309 0.849 0 50 CCAA CN1CCN(NC(=O)c2ccc3nccnc3c2)CC1 4821248 BFUXNJXSFIGUSN-UHFFFAOYSA-N 271.324 0.522 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)[C@H](C)CO1 230238474 UVMRRKDBZGEAEJ-MXWKQRLJSA-N 266.341 0.633 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(N)=O 101134571 GBVAMMGFBVZXEA-UHTWSYAYSA-N 277.368 0.573 0 50 CCAA CC(C)c1nc2n(n1)C[C@H](NC(=O)/C=C/CN(C)C)CC2 366068255 OONRRQHJSQTICT-BTDICHCPSA-N 291.399 0.950 0 50 CCAA CCn1cnnc1[C@H]1CCCN(Cc2cnnn2C)C1 329185743 POOUYWPYGOVUHK-NSHDSACASA-N 275.360 0.806 0 50 CCAA CCn1nncc1C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C 330582979 LOBLGNRQONBZME-NSHDSACASA-N 295.387 0.215 0 50 CCAA C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)CS(C)(=O)=O 331227022 YJLFYFBKSTUYJP-GWCFXTLKSA-N 297.376 0.882 0 50 CCAA CNC[C@@H](O)CN(C)C[C@H](O)COc1ccc(C)cc1C 34132831 FSDQDNNSFMEJJO-CABCVRRESA-N 296.411 0.555 0 50 CCAA COC(=O)[C@H](CNCc1ccc(OC)cc1)[C@H](C)O 39022871 BHTXFDCKVRIWTI-GXFFZTMASA-N 267.325 0.955 0 50 CCAA C=CC(=O)NCCC(=O)N1C[C@@H](C(=O)OC)C2(CCC2)C1 365667649 CEBISFYSCKRYBU-NSHDSACASA-N 294.351 0.480 0 50 CCAA COC[C@H]1CCCN1C(=O)CCc1ccnn1C 215600786 DOTGSWMHIYPDQT-GFCCVEGCSA-N 251.330 0.990 0 50 CCAA O=C(NCCCn1ccnn1)c1cc2c([nH]c1=O)CCC2 219051820 DNXKJCPQKPGPPG-UHFFFAOYSA-N 287.323 0.275 0 50 CCAA COc1cc(C(=O)O)ccc1OCCNC(C)=O 37224487 SOLICWIHGKYPDV-UHFFFAOYSA-N 253.254 0.908 0 50 CCAA CN1CC[C@@H](C(=O)N2CCCOC(C)(C)C2)CC1=O 377707627 VUWXZXGTYDOIGP-LLVKDONJSA-N 268.357 0.882 0 50 CCAA CC[C@@](C)(O)c1cn(CCN2CCOCC2)nn1 310896187 LXULNALSIQXKEH-GFCCVEGCSA-N 254.334 0.228 0 50 CCAA C[C@@H](O)c1cccc(N2CCC(O)(C(=O)O)CC2)n1 71775858 VNLKHZKTJPAOPC-SECBINFHSA-N 266.297 0.551 0 50 CCAA Cc1cc(C(=O)N2CC[C@](C)(O)C2)c2cnn(C)c2n1 177344024 PJMLPNDKQSFVIC-AWEZNQCLSA-N 274.324 0.874 0 50 CCAA COc1ccccc1[C@H](O)CNC(=O)[C@H]1CCCNC1 178029781 QKZIJNKNCKXAMA-WCQYABFASA-N 278.352 0.844 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@@H](CC(=O)O)C(C)C)cn1C 426518809 OYZFMYCBXUATJP-NSHDSACASA-N 280.324 0.923 0 50 CCAA Cn1ccnc1CCNC(=O)C[C@@H]1CCCOC1 426589098 QYZASDUTIRYWAD-NSHDSACASA-N 251.330 0.896 0 50 CCAA Cc1nc(O)cc(CNC(=O)C(C)(C)N2CCCC2)n1 426387799 DLYHSMWTXIJUGN-UHFFFAOYSA-N 278.356 0.981 0 50 CCAA O=C(NCCc1ccccc1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239308865 HAUYFFDGFFLJSE-SYQHCUMBSA-N 287.315 1.000 0 50 CCAA Cn1c(=O)c2c(nc(-c3cccnc3)n2C)n(C)c1=O 96027523 XRHCIAJEZCOJNM-UHFFFAOYSA-N 271.280 0.033 0 50 CCAA C[C@@H]1C(=O)N(CC(=O)O)CCN1C(=O)[C@H]1CC[C@H](C)CC1 426477298 XYZNUVJACFHNDX-IJLUTSLNSA-N 296.367 0.957 0 50 CCAA NC(=O)C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2N)C1 237833436 CAGOCBQMOMPFPK-DCAQKATOSA-N 253.346 0.228 0 50 CCAA Cc1cc(C)n([C@@H]2CCN(C(=O)CN3CCNC3=O)C2)n1 95500000 GWBFBQIOUYOQJL-GFCCVEGCSA-N 291.355 0.299 0 50 CCAA Cc1cc(CNC(=O)C[C@@H]2CN(C(C)C)CCO2)n(C)n1 97742822 SHLSFLNPRNNSEZ-CQSZACIVSA-N 294.399 0.844 0 50 CCAA COC[C@@H]1CCCN1CC(=O)Nc1ccn(C)n1 243932084 BSJSDCSUHFPRML-JTQLQIEISA-N 252.318 0.469 0 50 CCAA Cn1cc([C@@H](NC(=O)C2CCOCC2)[C@H]2C[C@@H](O)C2)cn1 243956912 CEGMWEVSLDGJQY-YUTCNCBUSA-N 293.367 0.775 0 50 CCAA CN(CCc1noc(C2CC2)n1)C(=O)[C@H]1CCOC1 244734488 NGKBBJXGTKXBHN-JTQLQIEISA-N 265.313 0.984 0 50 CCAA COCCOc1cccc(C(=O)N[C@H]2C[C@@H](O)C2)c1 298259210 GDSDZLVTDBXCPC-TXEJJXNPSA-N 265.309 0.965 0 50 CCAA O=C(O)C[C@@H](NC(=O)[C@@H]1COCCO1)c1cccs1 299749379 KDHDXRHEZNNMIA-BDAKNGLRSA-N 285.321 0.796 0 50 CCAA CC(C)c1ocnc1C(=O)NCCc1nc(N)n[nH]1 534591388 NPWCGNHRWODXSI-UHFFFAOYSA-N 264.289 0.471 0 50 CCAA COC[C@@H](O)CNC(=O)CSc1cccc(OC)c1 268628020 LPEMOEGXRCDFLY-JTQLQIEISA-N 285.365 0.911 0 50 CCAA Cc1cc(=O)c(C(=O)N2CC[C@H](N)C[C@H]2C)cn1C 534656739 PFTMKCWAKTWJCG-MNOVXSKESA-N 263.341 0.646 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)CCCC(=O)O 534674635 CBVVTXSXJUZQTB-UWVGGRQHSA-N 258.318 0.077 0 50 CCAA CN1CCN(CC(=O)NCC[C@@H]2CCCOC2)C1=O 534675376 AIRGILSRXCEWQX-NSHDSACASA-N 269.345 0.287 0 50 CCAA CN(CC(=O)O)c1ncc(CN2CC[C@H](N(C)C)C2)cn1 534581688 CYMVYSQLJSXHLE-LBPRGKRZSA-N 293.371 0.133 0 50 CCAA CCN1CCN(CC(=O)N(C)C2CCN(C)CC2)CC1 360174906 GLKPUNNJCXFJBT-UHFFFAOYSA-N 282.432 0.177 0 50 CCAA COc1ccccc1S(=O)(=O)N1CC(n2ccnn2)C1 374801132 RALZJBFWAYPBNY-UHFFFAOYSA-N 294.336 0.532 0 50 CCAA O=C(Nc1cc(F)c(F)cc1F)N[C@@H]1CNCC[C@H]1O 299779571 HZZOHQSXLXCWOA-GHMZBOCLSA-N 289.257 0.948 0 50 CCAA COC1(c2ccccc2)CN(C(=O)[C@H](O)c2cnc[nH]2)C1 868322421 GSJFZAFTDGMOLX-CYBMUJFWSA-N 287.319 0.827 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@@H]1CCCc2c[nH]nc21 1875259430 NWFSMTMPIGCJGX-VHSXEESVSA-N 251.286 0.666 0 50 CCAA CN(C)[C@@H]1c2ccccc2C(=O)N1[C@H]1CCC(=O)NC1=O 1875290416 DEDHMWRLLDHXOU-FZMZJTMJSA-N 287.319 0.508 0 50 CCAA Cn1nccc1S(=O)(=O)NCc1cc2n(n1)CCCC2 874434989 IKHZHBAFVSXJKM-UHFFFAOYSA-N 295.368 0.431 0 50 CCAA NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(c2cnccn2)CC1 952889630 CWLKOABJIUTACD-CHWSQXEVSA-N 290.367 0.974 0 50 CCAA Nc1ncc(/C=C/C(=O)NCCCN2CCCC2)cn1 952966742 WTLRXVNJQDAOLW-SNAWJCMRSA-N 275.356 0.674 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCN(c2ncccc2Cl)CC1 952977856 CDQVXAIRDWMKHG-LBPRGKRZSA-N 292.770 0.912 0 50 CCAA COc1cccc(C)c1C(=O)N1CCO[C@@H](C(=O)O)C1 952969210 BUNKYCLAYQLKPL-LLVKDONJSA-N 279.292 0.929 0 50 CCAA CCC1(CNS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 583651981 WNULUVQFEMDNQC-NSHDSACASA-N 286.397 0.859 0 50 CCAA CCc1cc(C(=O)N2CCN(CCO)[C@@H](C)C2)[nH]n1 170085797 RVLWPPJOWGFDCY-JTQLQIEISA-N 266.345 0.111 0 50 CCAA CC[C@H](SC)C(=O)NN1C(=O)N[C@](C)(CC)C1=O 278541340 AESBXKZYDCKOSF-WRWORJQWSA-N 273.358 0.880 0 50 CCAA CC(C)(C)CN1CCC[C@@H](N2CCOC[C@@H]2CO)C1=O 585094526 YLMOLZWJUBYILE-QWHCGFSZSA-N 284.400 0.717 0 50 CCAA Cc1ncncc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 408062412 HERGFWFVSFBWKG-YUTCNCBUSA-N 291.351 0.787 0 50 CCAA NS(=O)(=O)[C@H]1CCN(C(=O)c2cccs2)C1 408142757 RDRHEHBCGMSMIN-ZETCQYMHSA-N 260.340 0.251 0 50 CCAA O=C(CCc1cnc[nH]1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644228614 PZJWFQHZIVPFQH-MCIONIFRSA-N 292.383 0.446 0 50 CCAA COCCN1CCCN(C(=O)CC2(COC)CC2)CC1=O 565011033 QXANIEJQCONKDX-UHFFFAOYSA-N 298.383 0.510 0 50 CCAA Cc1ccc(N2CCCN(C(=O)[C@H](O)C3CC3)CC2)nn1 668333506 SFOTVDIMFBEWCK-CQSZACIVSA-N 290.367 0.595 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 1506398937 IDZBULPLZAEXGB-JTQLQIEISA-N 264.329 0.327 0 50 CCAA O[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1Cc1cnccn1 1529159649 WXKARQZIZNXYFF-ZYHUDNBSSA-N 259.313 0.235 0 50 CCAA CNC(=O)[C@H]1CC(=O)N(c2nnc(C(C)C)s2)C1 1857680497 JVSNWNKXWQHURG-ZETCQYMHSA-N 268.342 0.760 0 50 CCAA CN1CC2(C1)CN(C(=O)[C@H]1CCn3nccc3C1)C2 1857708956 WBKRLIJCNDPIIT-NSHDSACASA-N 260.341 0.220 0 50 CCAA C[C@H]1CN(S(N)(=O)=O)C[C@@H](c2ccsc2)O1 110681946 MWHFUBVLVBMLFY-CBAPKCEASA-N 262.356 0.713 0 50 CCAA Cc1cc(CCNC(=O)[C@H]2NCC23CCCC3)nn1C 1615548288 RQECOHNFXGAIEB-CYBMUJFWSA-N 276.384 0.919 0 50 CCAA O=C(c1ccon1)N1C[C@@H](CO)C[C@@H](CN2CCCC2)C1 1616104133 QSQCGNJZTYBLEI-STQMWFEESA-N 293.367 0.841 0 50 CCAA O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1cn[nH]c1 264830593 HYDBQTRQGJNOJE-ZETCQYMHSA-N 276.218 0.303 0 50 CCAA C[C@H]1SCCn2c(CN3CCOCC3)nnc21 1775979576 MGSNUKPBHOTBAD-SECBINFHSA-N 254.359 0.918 0 50 CCAA O=S1(=O)CC[C@H](S(=O)(=O)Nc2ccccc2)C1 5009358 LEZHBTCARCVQFQ-JTQLQIEISA-N 275.351 0.615 0 50 CCAA CN(C)c1ncccc1CNC(=O)CN1CCCCC1=O 12583138 MHSQNWSMWGLQSC-UHFFFAOYSA-N 290.367 0.776 0 50 CCAA CC(C)CCOC(=O)[C@@H](O)[C@@H](O)C(=O)OCCC(C)C 16892087 VOBHVQRBBHSZAZ-TXEJJXNPSA-N 290.356 0.887 0 50 CCAA Cc1nn(C)c2c1[C@@H](NC(=O)c1coc(CN)n1)CCC2 1857679949 BRNVYRYGDCRRFP-VIFPVBQESA-N 289.339 0.983 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)c1ccncc1Cl)C2 1875240183 KWLRLHOSYBNGLV-BDAKNGLRSA-N 295.726 0.322 0 50 CCAA CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C)C1 408081146 DEWPRYNTYAVEHA-KGYLQXTDSA-N 268.357 0.786 0 50 CCAA COC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1 2575025 MFFFBNAPQRDRQW-JTQLQIEISA-N 281.264 0.929 0 50 CCAA in-vitro COC[C@H]1CNCCN1Cc1ncnn1-c1ccccc1 903881306 QKGQIMSHDMZIMO-CQSZACIVSA-N 287.367 0.688 0 50 CCAA CCOC(CN1C[C@@H]2OCCN(C)[C@H]2C1)OCC 253369298 ASAGKKBKOXBURC-RYUDHWBXSA-N 258.362 0.400 0 50 CCAA COC[C@@H]1CN(C(=O)c2nccnc2N)CC(C)(C)O1 285501219 NCYRTWKKMHTMGO-VIFPVBQESA-N 280.328 0.325 0 50 CCAA COc1ccccc1CCC(=O)N[C@@H]1CCNC[C@H]1O 77564301 HWTCYVXAXHSEIP-CHWSQXEVSA-N 278.352 0.467 0 50 CCAA Cc1csc(NC(=O)CN2CCC[C@](O)(C(=N)O)C2)n1 330365495 CRASTTYJVAVLOH-GFCCVEGCSA-N 298.368 0.752 0 50 CCAA O=C(c1ccc(O)c(Cl)c1)N1C[C@H](O)C[C@H]1CO 372226335 GHSKUCSLFXMQMT-DTWKUNHWSA-N 271.700 0.613 0 50 CCAA CN[C@H](CC(C)(C)C)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 395692416 XKMHMMUZWRNBAU-GMTAPVOTSA-N 290.429 0.702 0 50 CCAA Cn1ccc2ccc(C(=O)N3C[C@H]4C(=O)OC[C@H]4C3)nc21 2100473534 QHFXLDNOUFDJSX-GHMZBOCLSA-N 285.303 0.818 0 50 CCAA COc1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](CO)C3)nn1C 2100547394 ITLSTBWFMHNQAE-OWUUHHOZSA-N 280.328 0.199 0 50 CCAA O=Cc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325903729 ILKPUQNPUXVWLU-NSHDSACASA-N 272.260 0.260 0 50 CCAA Cn1cc(C(=O)NCCOCC(=O)O)c(C(F)F)n1 909633656 DTONTZLEPNXWDZ-UHFFFAOYSA-N 277.227 0.189 0 50 CCAA CC1=C(C(N)=O)[C@H](c2cccnc2)N2NN=NC2=N1 71560 IUHWXGKWGJVSKS-VIFPVBQESA-N 257.257 0.439 0 50 CCAA CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 466700 JJEKYGJDLVPCBP-UHFFFAOYSA-N 298.364 0.166 0 50 CCAA Cc1ccc(S(=O)(=O)NN2CCN(C)CC2)s1 2628634 FZLZTYZGOWQBOH-UHFFFAOYSA-N 275.399 0.497 0 50 CCAA COc1ccc(C(=O)N2CCC[C@]23CCCNC3=O)cn1 2356134087 XFEYUKDFIZTSPX-HNNXBMFYSA-N 289.335 0.975 0 50 CCAA CCCN1Cc2nnc(-c3cn[nH]c3)n2[C@@H](C)C1=O 2356160114 DODOHKUQCDPARV-QMMMGPOBSA-N 260.301 0.981 0 50 CCAA Cc1cn2c(nc3c2c(=O)n(CC(C)C)c(=O)n3C)[nH]1 8706084 ASSKNELNXIMTOJ-UHFFFAOYSA-N 275.312 0.640 0 50 CCAA biogenic O=C(NCc1ccc2c(c1)CNC2)NC[C@H]1CCCN1 418353137 ABPRUEIWAOKCEQ-CQSZACIVSA-N 274.368 0.841 0 50 CCAA O=C(NCc1nnc2n1CCC2)c1ccc2[nH]nnc2c1 54905241 KSLKLVBTAHOUAZ-UHFFFAOYSA-N 283.295 0.426 0 50 CCAA COc1ccc(S(=O)(=O)NCC(F)F)cc1C(=O)O 136565932 ZTSGLWIOQCPRJZ-UHFFFAOYSA-N 295.263 0.937 0 50 CCAA O=S(=O)(O)[C@@H](O)c1ccc2cccc(O)c2n1 23634592 FITYJZFMKVNKTA-SNVBAGLBSA-N 255.251 0.819 0 50 CCAA COC[C@H](NCC(=O)Nc1cnccn1)c1ccnn1C 65408261 OAZACMBAXQQXNL-JTQLQIEISA-N 290.327 0.126 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(CCCNc2cccnc2)C1 65394246 TWBWECMUMXDCFA-SNVBAGLBSA-N 263.297 0.817 0 50 CCAA NC(=O)[C@@H]1CCCN1C1CCN([C@H]2CCCC[C@@H]2O)CC1 252512819 VZJIJBFVTICQGJ-KKUMJFAQSA-N 295.427 0.704 0 50 CCAA CCCCN(C)S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 229562757 ZKWFGFUZQHWFCX-SNVBAGLBSA-N 277.390 0.160 0 50 CCAA CCOc1ccccc1CNC(=O)[C@H]1C[C@H](O)CN1 150932536 TYJPOLBOUCFSBP-NWDGAFQWSA-N 264.325 0.424 0 50 CCAA C[C@@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)NC(N)=O 429242685 WRZUEQUKODESCQ-APPZFPTMSA-N 263.297 0.032 0 50 CCAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(Cc2cncn2C)C1 284632997 SXOWAFHAUNSQKL-NEPJUHHUSA-N 276.344 0.809 0 50 CCAA CN(CCc1nc(C2CC2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 65433433 KRJAPDYHVACAGL-SNVBAGLBSA-N 284.385 0.344 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2ccc(C)nc2)C1 284771329 HTDZCKGWAYVGRM-QWHCGFSZSA-N 264.325 0.541 0 50 CCAA O=C1NC2(CCC2)C(=O)N1Cc1nc(C2CC2)no1 123463929 VREGQZOJCBXLKA-UHFFFAOYSA-N 262.269 0.922 0 50 CCAA c1cn2c(CN3CCO[C@@H](Cn4cncn4)C3)cnc2cn1 329166177 HYCDZPBVKKBFQT-CYBMUJFWSA-N 299.338 0.222 0 50 CCAA CNC(=O)C1CN(C(=O)[C@H]2CC23CCOCC3)C1 368492918 GRBWDNQZFFZITI-SNVBAGLBSA-N 252.314 0.008 0 50 CCAA CN(CCCc1cnn(C)c1)C(=O)[C@@H]1CSCN1C 71721258 NLCBCHRMSQSRLV-LBPRGKRZSA-N 282.413 0.816 0 50 CCAA CCNC(=O)CN1CCN(Cc2ncccc2F)CC1 72119444 SEFNHJRORGDLMO-UHFFFAOYSA-N 280.347 0.474 0 50 CCAA Cc1ncc2c(c1CNC(=O)[C@H]1CCOC1)CCNC2 72453757 LKEVTQFRXKBMGD-NSHDSACASA-N 275.352 0.688 0 50 CCAA O=C(NC[C@@H]1CCCS1(=O)=O)c1cc(F)c[nH]1 336616848 ALDNJYHWTAXGGQ-QMMMGPOBSA-N 260.290 0.461 0 50 CCAA C[C@@H]1CC[C@@H](CCC(=O)Nc2cnn(CC(N)=O)c2)O1 175463545 IIHIXSCOPHAFAU-KOLCDFICSA-N 280.328 0.655 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccnc1O 223101584 JVLFRUWGRYHOEW-GMNPVEAJSA-N 278.308 0.567 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N1CCS(=O)(=O)CC1 82146388 DARSAEZAVFPIMF-UHFFFAOYSA-N 299.396 0.227 0 50 CCAA C[C@@H](C(=O)NC1(C(N)=O)CCCC1)n1ccnc1 426541739 XANXYTZBARILHY-VIFPVBQESA-N 250.302 0.358 0 50 CCAA CCCN1CCC[C@H](CNC(=O)Cn2ccnn2)C1 426527614 AXOFZTNUXDKHDJ-GFCCVEGCSA-N 265.361 0.516 0 50 CCAA C[C@@H]1C(=O)N(CC(=O)O)CCN1C(=O)Cc1ccsc1 426648211 XHTHDHGAOMIRDD-SECBINFHSA-N 296.348 0.435 0 50 CCAA CN(C)c1cnn(CC(=O)N2CCCCCC2)c(=O)c1 95379259 HMXWEVZAQRZXEX-UHFFFAOYSA-N 278.356 0.712 0 50 CCAA Cc1nc(N)cc(N2CCC3(CC2)OCCC[C@@H]3O)n1 95354544 SVCJHWDJZUYJQN-NSHDSACASA-N 278.356 0.878 0 50 CCAA Cc1nc(CNC(=O)[C@@H]2CCCCCN2C)cc(=O)[nH]1 95383092 MAYVRRRVWMUHBM-LBPRGKRZSA-N 278.356 0.569 0 50 CCAA Cc1n[nH]c(C)c1CCCNC(=O)C1=NN(C)C(=O)CC1 244795930 RPYQOIYXXQPQPU-UHFFFAOYSA-N 291.355 0.684 0 50 CCAA CC(C)CCC[C@H](C)N[C@H]1CS(=O)(=O)C[C@H]1O 248243702 FWFJBLFSYAHYQY-SDDRHHMPSA-N 263.403 0.949 0 50 CCAA Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCN(C)C1=O 349156990 YCEBSEUISKNHKD-LLVKDONJSA-N 264.329 0.306 0 50 CCAA CN1C(=O)C[C@H](C(=O)NCCCc2ncc[nH]2)C1(C)C 244852731 UXOHISHYOPYTDX-SNVBAGLBSA-N 278.356 0.715 0 50 CCAA CN1C(=O)COc2ccc(NC3=CC(=O)NC3)cc21 524733712 IXJOCQRMMPVOBN-UHFFFAOYSA-N 259.265 0.467 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1ccc(CO)cc1 534659320 BEVIXQCWPIWSJL-RYUDHWBXSA-N 251.282 0.323 0 50 CCAA COc1ccccc1OCC(=O)NCCc1nc(N)n[nH]1 534651087 ISGCZVGMQJQDHX-UHFFFAOYSA-N 291.311 0.133 0 50 CCAA COCC1(CNC(=O)CCCN2CCCC2=O)CC1 534585535 QWQVMIDXXCNBAR-UHFFFAOYSA-N 268.357 0.932 0 50 CCAA Cn1cnc(CNC(=O)Cc2ccc3c(c2)CCO3)n1 271109709 SYJZPUYRWBQLME-UHFFFAOYSA-N 272.308 0.609 0 50 CCAA CCc1nc(O)ccc1C(=O)N[C@H]1CCS(=O)(=O)C1 1940196364 FZRRULYDUYTFBB-QMMMGPOBSA-N 284.337 0.267 0 50 CCAA Cn1ccnc1CCN1CC[C@H]2[C@H](C1)OCc1cnnn12 299781988 SBYXQUMQWFGSFT-STQMWFEESA-N 288.355 0.400 0 50 CCAA CC[C@@H](NC(=O)N1CCCNC(=O)C1)c1ncnn1CC 584897234 MFPDJENSZAVOKL-SNVBAGLBSA-N 294.359 0.281 0 50 CCAA COCCN1CC[C@@H](C(=O)N2CCc3nocc3C2)C1 584897526 XYPABVPQPZGGAG-LLVKDONJSA-N 279.340 0.528 0 50 CCAA C[C@H](CS(C)(=O)=O)N1CCC2(CCC(=O)N2C)CC1 670453202 PRRYGKYUQKKAHG-LLVKDONJSA-N 288.413 0.506 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CC(CO)CO)n[nH]c21 1875396876 VCZGEORRHAEXMW-BDAKNGLRSA-N 297.355 0.105 0 50 CCAA O=C(O)[C@H](CCO)NC(=O)[C@H]1CCc2cc(F)ccc2O1 1875313978 ZWBHMHKQRHCHHT-CMPLNLGQSA-N 297.282 0.471 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cc(CO)oc1C 1875333139 CXNWXVCUHJVCPU-ONEGZZNKSA-N 253.254 0.539 0 50 CCAA C=CC(=O)N1CC=C[C@@H](NC(=O)c2ccn3nccc3n2)C1 1875388068 LTLQEDGWNZDFTB-LLVKDONJSA-N 297.318 0.412 0 50 CCAA CCn1ccc(CNCCCN2CCC[C@@H](O)C2)n1 952988373 NNADGUWIJUWCPD-CQSZACIVSA-N 266.389 0.839 0 50 CCAA CC(=O)N1C[C@H](NS(C)(=O)=O)CC[C@H]1C(F)(F)F 886033091 BKSHPKIDIHUPKV-SFYZADRCSA-N 288.291 0.477 0 50 CCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NCCN2CCNC2=O)C1 886082567 PCTJENWFRSYXMK-MCIONIFRSA-N 296.415 0.243 0 50 CCAA CCC[C@@H](C)NS(=O)(=O)C[C@@H]1C[C@@H]1C(=O)OC 1775987908 DQMNWNVNYALOEE-UTLUCORTSA-N 263.359 0.904 0 50 CCAA COCC1(NC(=O)[C@@H]2C[C@H](N)[C@H]3C[C@H]32)CCOCC1 1354331085 UYQQFXKTQUURCE-KXNHARMFSA-N 268.357 0.282 0 50 CCAA COCC(=O)N[C@H]1CCOC[C@@H]1OCc1c(C)noc1C 1565505697 ITLDHNHAODYZEH-STQMWFEESA-N 298.339 0.728 0 50 CCAA CC(C)n1cc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)O)C2)cn1 274930506 CHMKRDMNXHNDLW-NXEZZACHSA-N 299.352 0.772 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1ncn(CC(=O)NC)n1 277033061 OBSOUHMEOIBMLH-ZJUUUORDSA-N 295.343 0.168 0 50 CCAA Cc1nnc(NC(=O)N2CC(=O)N(CC3CC3)C2)s1 278581507 CUARRDQEDYFAHT-UHFFFAOYSA-N 281.341 0.890 0 50 CCAA C[C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)c1cccnc1 170613290 GSYZPLLRVWNJFA-NXEZZACHSA-N 285.369 0.539 0 50 CCAA O=C1[C@@H](O)CCCCN1CC(=O)N1CCc2ccncc21 644419556 XWAZAPWTXJBFIH-ZDUSSCGKSA-N 289.335 0.344 0 50 CCAA CCc1nccn1C[C@@H](C)NCCN(C)S(C)(=O)=O 1506399076 YLDAAGXNIOIZLL-LLVKDONJSA-N 288.417 0.315 0 50 CCAA CN1CCC[C@H](C(=O)Nc2cnn3c2NCCC3)C1 1506402065 IOCXPRQGNGBYQZ-JTQLQIEISA-N 263.345 0.979 0 50 CCAA COCCN1CC[C@@H](CN(C)C(=O)C(C)(C)N)C1 1506430138 WWWGTOPTNVESNY-NSHDSACASA-N 257.378 0.150 0 50 CCAA COc1cc(-c2cnc3c(c2)CCN3C)[nH]c(=N)n1 1875241395 WBOMGXFPQRCLJC-UHFFFAOYSA-N 257.297 0.952 0 50 CCAA COCCOC[C@@H]1CCN(C(=O)[C@@](C)(O)C2CC2)C1 240412669 FNQVTLWPBPJPNB-RISCZKNCSA-N 271.357 0.659 0 50 CCAA Cc1ccc(S(=O)(=O)N2CC3(CN(C)C(=O)O3)C2)o1 496764965 VCNYYRAKHPFNJP-UHFFFAOYSA-N 286.309 0.413 0 50 CCAA Cc1ncsc1CNC(=O)[C@H]1CCNC(=O)C1 155292982 ABKBDMPNGBOCLQ-QMMMGPOBSA-N 253.327 0.594 0 50 CCAA COc1ccc(CCN2C[C@H](CN)OCC2=O)cc1 11884522 OXIHCHUWGYSWEC-ZDUSSCGKSA-N 264.325 0.424 0 50 CCAA Cc1cccc2nc(NC[C@@H](O)CS(C)(=O)=O)oc12 1647476909 DETQWSDWZNLIGU-SECBINFHSA-N 284.337 0.954 0 50 CCAA Nc1nc(NCCc2cc[nH]n2)cc([C@H]2C[C@@H](N)C2)n1 219875118 OUNZOFTYNBJLFI-KYZUINATSA-N 273.344 0.641 0 50 CCAA CC(C)NC(=O)c1ccnc(N2C[C@@H]3CC(=O)N[C@@H]3C2)c1 1857672346 SPXASDVRWMQHKS-NWDGAFQWSA-N 288.351 0.545 0 50 CCAA CNS(=O)(=O)[C@H]1CCN(Cc2cc(OC)cc(C)n2)C1 536041643 JTNGXQYMOOKMES-ZDUSSCGKSA-N 299.396 0.522 0 50 CCAA O=C(O)Cn1cc(NC(=O)CCn2cc(Cl)cn2)cn1 647745618 KNIALOLIEUQSBP-UHFFFAOYSA-N 297.702 0.846 0 50 CCAA N[C@H]1CC[C@@H](n2cc(C(=O)NCc3ccon3)nn2)CC1 244866632 VZNDPBBGNIYAQQ-JGZJWPJOSA-N 290.327 0.639 0 50 CCAA COCc1cccc(C(=O)N2CCC(O)(C(=O)O)CC2)c1 262500277 NLDXSSUUMGRQIA-UHFFFAOYSA-N 293.319 0.885 0 50 CCAA O=S(=O)(c1ccc(Cl)cc1)N1CCNCC1 35585416 CKVKEBVACPUEIB-UHFFFAOYSA-N 260.746 0.934 0 50 CCAA in-vitro Cc1nc(O)c2c(n1)CN([C@H](C)c1nnnn1C)C2 931314480 BREVQDBQZYMTQC-ZCFIWIBFSA-N 261.289 0.091 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@H](C)c1ccncc1OC 861193860 ZXNAFUOABOQBME-SNVBAGLBSA-N 277.324 0.912 0 50 CCAA COCc1nc(C(=O)NC(C)(C)C(=O)O)cs1 237181798 BTOCGXRZLQGRGH-UHFFFAOYSA-N 258.299 0.883 0 50 CCAA COc1cc(N2CC[C@@]3(CCCNC3)C2)nc(N)n1 67739494 DBXDFGZNJCDDRK-CYBMUJFWSA-N 263.345 0.647 0 50 CCAA CCN1C[C@@H](NC(=O)c2c(O)cccc2O)CC1=O 67472644 UEPVDNILIULJJF-QMMMGPOBSA-N 264.281 0.448 0 50 CCAA O=C(O)C[C@H](NC(=O)[C@H]1CCCOC1)C(F)(F)F 829375029 VAHHLNJCPVHZPC-BQBZGAKWSA-N 269.219 0.935 0 50 CCAA CC(C)NC(=O)c1ccc(NC(=O)[C@@H](N)CO)cc1 952977911 CSGISQPVXJSRHR-NSHDSACASA-N 265.313 0.083 0 50 CCAA CC(C)(C)OC(=O)NC1CN(C(=O)C2CCNCC2)C1 2325878445 PNCDKXVPTKENKY-UHFFFAOYSA-N 283.372 0.722 0 50 CCAA COC(=O)COc1ccc(=O)n(-c2ccccc2)n1 316053 YBLVUWMVDMLCLQ-UHFFFAOYSA-N 260.249 0.784 0 50 CCAA Cn1cnc2c1c(=O)n(CNc1ccccc1)c(=O)n2C 436450 VJNKEPNKLBIZSS-UHFFFAOYSA-N 285.307 0.503 0 50 CCAA O=c1[nH]c(=O)n([C@@H]2CCCO2)cc1Br 1069097 BXYIIBLEKYIHBE-LURJTMIESA-N 261.075 0.608 0 50 CCAA CS(=O)(=O)N(CC(=O)O)c1ccc(F)c(F)c1 6697881 PUPFOFVEDYXLAL-UHFFFAOYSA-N 265.237 0.815 0 50 CCAA Cc1ccc2oc(N3CCN4CCNC(=O)[C@@H]4C3)nc2c1 65457171 BBKRULAVALTKEK-LBPRGKRZSA-N 286.335 0.757 0 50 CCAA CNC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 67629578 QANWQGJCYYNVSS-QMMMGPOBSA-N 274.317 0.726 0 50 CCAA COCCN1CCC[C@@](O)(CNCc2cccs2)C1=O 67803076 AORIPGLJFRODRK-CQSZACIVSA-N 298.408 0.838 0 50 CCAA C[C@@H]1CN(c2cc(=O)n(C)c(=O)n2C)C[C@@H](C2CC2)O1 328599273 RDYQMVMVEUWLJU-KOLCDFICSA-N 279.340 0.088 0 50 CCAA CS(=O)(=O)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 283612213 UOCBXDMLUXKOKU-MRVPVSSYSA-N 266.326 0.581 0 50 CCAA COCCn1nnc2c1CCN(C[C@@H]1CC[C@H](C)O1)C2 328801084 ZASRKBLLHIVQIL-RYUDHWBXSA-N 280.372 0.850 0 50 CCAA N=C(O)N1CC[C@@H](NC(=O)Cc2cccs2)C1 330782569 ZAXJAXWBSODNIP-MRVPVSSYSA-N 253.327 0.974 0 50 CCAA O=C(N[C@H]1CCC[C@H]1F)N1CCN(C2CC2)C(=O)C1 334968879 OMAGDEGDRMXYRF-MNOVXSKESA-N 269.320 0.893 0 50 CCAA Cc1c(C(=O)N2CCOC[C@@H]2C(=O)O)cnn1C(C)C 262748477 IENVYXVPPLHLKH-LLVKDONJSA-N 281.312 0.698 0 50 CCAA COCCN1CC[C@@H](CNC(=O)c2cc(CO)ccn2)C1 215685072 KLHBZSFMQWQHCV-ZDUSSCGKSA-N 293.367 0.272 0 50 CCAA O=C(NCCCn1cccn1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 226371749 FLYCKMQOXIMJSM-ZDEQEGDKSA-N 289.335 0.912 0 50 CCAA COc1cc(OC)cc(N2CC[C@H](N(C)CCO)C2=O)c1 177845036 JXCNXLSEFXSYNC-AWEZNQCLSA-N 294.351 0.733 0 50 CCAA Cc1ccc(OCCS(=O)(=O)N2CCNC[C@@H]2C)cc1 426387055 HUTYERZORJBKCP-ZDUSSCGKSA-N 298.408 0.997 0 50 CCAA NCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 178348141 RCBPIFXESJCAAC-CYBMUJFWSA-N 275.352 0.756 0 50 CCAA CCC(CC)N1C[C@@H](C(=O)N2CCOCCN2)CC1=O 615489850 XBIFZYHJZNERQU-NSHDSACASA-N 283.372 0.387 0 50 CCAA OCC1CCN(c2cc(C3CC(O)C3)ncn2)CC1 220600019 CCXBSRIQUBPESZ-UHFFFAOYSA-N 263.341 0.924 0 50 CCAA CN(CC1(C)COC1)C(=O)NCCCn1cccn1 426513832 ZXMBMVFPIYFGQT-UHFFFAOYSA-N 266.345 0.951 0 50 CCAA CC(C)(NC(=O)c1ccccc1-n1cccn1)C(N)=O 97696218 ODRCGEPETHPYIJ-UHFFFAOYSA-N 272.308 0.866 0 50 CCAA CO[C@H]1CCCN(Cc2[nH]c(=O)[nH]c2C(=O)O)C1 97347279 ZVGVEHIARMFMSH-ZETCQYMHSA-N 255.274 0.012 0 50 CCAA CC[C@H](NC(=O)Cn1ccccc1=O)c1ncnn1CC 534583223 DMGFDUOWVWLRIJ-NSHDSACASA-N 289.339 0.727 0 50 CCAA COCc1noc(CNC(=O)c2ncccc2C)n1 534649157 GTNPWHDWDQQHMG-UHFFFAOYSA-N 262.269 0.849 0 50 CCAA CCN(Cc1ccncc1)C(=O)NCCn1cncn1 263860011 VBQBYJKBTLTAJN-UHFFFAOYSA-N 274.328 0.905 0 50 CCAA CO[C@H]1COC[C@@H]1NS(=O)(=O)Cc1ccccc1F 289669194 USAURSXUHBNRCF-RYUDHWBXSA-N 289.328 0.659 0 50 CCAA COCCCn1cnnc1CNC(=O)CC(C)C 299766791 FNPVROVOMQFHLT-UHFFFAOYSA-N 254.334 0.977 0 50 CCAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](O)C2 823597290 YKXSGVLURVLKSM-NSHDSACASA-N 292.383 0.140 0 50 CCAA Cc1cc(=O)n(C)cc1NC(=O)[C@@H]1C[C@@H]1C(=O)O 268950145 PWONETDRYWGSSH-SFYZADRCSA-N 250.254 0.353 0 50 CCAA Cc1cc(=O)n(C)cc1NC(=O)[C@H]1C[C@@H]1C(=O)O 268950147 PWONETDRYWGSSH-YUMQZZPRSA-N 250.254 0.353 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)CCCN1CCCC1 824506849 UJIXECIVTASYOT-RYUDHWBXSA-N 256.346 0.392 0 50 CCAA Cc1cc(CNC(=O)[C@H]2COCCO2)oc1C(=O)O 630330532 ZUNLVUCIWUDKLE-SECBINFHSA-N 269.253 0.318 0 50 CCAA CS(=O)(=O)NCC1(C(F)(F)F)CCNCC1 685949098 HVGAJIZREIWAQX-UHFFFAOYSA-N 260.281 0.468 0 50 CCAA CCOC(=O)[C@@]1(F)CN(C(=O)NC2CC2)CC12COC2 1875269357 ABQGZKBDOMRVAN-ZDUSSCGKSA-N 286.303 0.462 0 50 CCAA C=CC(=O)N1CC(C(=O)NCc2ccc(C)c(C)n2)C1 1875387034 KORQUCXPYHJABO-UHFFFAOYSA-N 273.336 0.959 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCCO)n[nH]c21 1875394016 YHFQFWVOWHYVCF-SFYZADRCSA-N 253.302 0.544 0 50 CCAA COCC(C)(C)Cn1nnnc1N(C)C[C@H]1CCOC1 952876403 PKNOXZFHTDJMRO-LLVKDONJSA-N 283.376 0.818 0 50 CCAA CCOCC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C 886084797 HVQHKKLMQOPXDV-ZWNOBZJWSA-N 294.355 0.235 0 50 CCAA CC[C@H](C)[C@H](NS(=O)(=O)[C@@H]1CCC[C@H]1OC)C(=O)O 888097357 HHZGHQWTPPXBOG-ZDCRXTMVSA-N 293.385 0.973 0 50 CCAA Cc1cc(C(F)(F)F)c(N2CC(S(N)(=O)=O)C2)nn1 894213564 JSVFOGWJFMWKGA-UHFFFAOYSA-N 296.274 0.281 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)Nc1nccn(C)c1=O 277124204 ZCYIQCAQKAZCJY-NXEZZACHSA-N 265.313 0.924 0 50 CCAA CN1C[C@@H]2CC[C@H](C1)CN2Cc1cc2n(n1)CCNC2 1073289992 OCPZVHFMVZSIBP-OCCSQVGLSA-N 275.400 0.512 0 50 CCAA Cc1[nH]nc2ncc(C(=O)N3CC[C@@H](c4nn[nH]n4)C3)cc12 1588217252 DQHKVLHPQOIYLO-MRVPVSSYSA-N 298.310 0.409 0 50 CCAA O=C(CNC(=O)c1ccccc1)N[C@@H]1C[C@H]2OCC[C@@H]12 1074571451 GQWAAFAERPERRC-YNEHKIRRSA-N 274.320 0.710 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)N1CCN(c2cnccn2)CC1 188240739 GMFFTHARKRSYJM-CHWSQXEVSA-N 290.367 0.940 0 50 CCAA Cn1c(CNC(=O)[C@H]2C[C@H](F)CN2)nc2ccccc21 188698177 UODQYRWAIYRCAQ-GXSJLCMTSA-N 276.315 0.890 0 50 CCAA CNS(=O)(=O)N(CC(=O)O)Cc1ccccc1 692441399 QKZXVHUJXCUSBD-UHFFFAOYSA-N 258.299 0.037 0 50 CCAA Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2C)nc(=O)[nH]1 191942459 FMXUCZRZSOEWND-DTWKUNHWSA-N 251.286 0.832 0 50 CCAA O=C(O)CNC(=O)Cn1c(C(F)(F)F)csc1=O 647638827 BTCDWNPNUYEBBU-UHFFFAOYSA-N 284.215 0.129 0 50 CCAA COC(=O)[C@H](CNS(C)(=O)=O)c1ccc(F)cc1 193117181 VVSHFRMHEKPNDV-SNVBAGLBSA-N 275.301 0.632 0 50 CCAA Cn1cc(N2CCN(C(=O)C[C@@H]3CCCNC3)CC2)cn1 655448484 LAJZRAQIUMFXIU-ZDUSSCGKSA-N 291.399 0.458 0 50 CCAA CC(C)(C)c1nc(CCNC(=O)[C@H]2C[C@@H](O)CN2)cs1 571683557 UITJIPASLLGRME-GHMZBOCLSA-N 297.424 0.822 0 50 CCAA O[C@]1(Cn2ccnn2)CCN(c2ncc(Cl)cn2)C1 671466344 LBEHNLGPMXYUBW-LLVKDONJSA-N 280.719 0.363 0 50 CCAA CNS(=O)(=O)NCc1cccc2nsnc12 952992406 MGIOGDPREGQFHA-UHFFFAOYSA-N 258.328 0.245 0 50 CCAA Cc1cccc(CCN(C)[C@@H]2CS(=O)(=O)C[C@H]2O)n1 1506413804 VXTJVROJGDWPPY-CHWSQXEVSA-N 284.381 0.022 0 50 CCAA CCN(CC(=O)Nc1ccc(Cl)cn1)[C@H]1COC[C@@H]1O 1506419157 YUFGZHCWGPFZLW-QWRGUYRKSA-N 299.758 0.755 0 50 CCAA Cc1cc(C[C@@H]2CN(c3ccnc(N)n3)C[C@H]2O)n[nH]1 1704300130 YKIAKCMQZFQZIA-MWLCHTKSSA-N 274.328 0.130 0 50 CCAA CCOC(=O)N1CCN(CC[C@H]2COCCO2)CC1 1800411407 JHJUKQSHCVVAMM-LBPRGKRZSA-N 272.345 0.566 0 50 CCAA O=C(c1cn2cccnc2n1)N1CC[C@](O)(C(F)F)C1 1615591087 UFCYDCIMHKBNEA-GFCCVEGCSA-N 282.250 0.571 0 50 CCAA O=C(c1occc1Br)N1C[C@@H](O)[C@@H](O)CO1 1857529873 CPFMCDNPGZGSJS-RQJHMYQMSA-N 292.085 0.151 0 50 CCAA Cn1ccnc1CNC(=O)[C@]1(C)CC12CCNCC2 1857705317 BTJNKUGHYJSPCV-ZDUSSCGKSA-N 262.357 0.816 0 50 CCAA COc1ccc(CN2CC(N3CCOCC3)C2)cn1 215219338 OBAZWBIOLCHLBO-UHFFFAOYSA-N 263.341 0.607 0 50 CCAA CN1CC[C@@H]2CN(C(=O)NC(C)(C)C)C[C@@H]2C1=O 1775983374 LGMIOKJGDULNJS-ZJUUUORDSA-N 253.346 0.905 0 50 CCAA Cn1nnc([C@H](O)CNCc2ccc(Cl)cc2)n1 19691151 LFOMFHAPLYNHQU-SNVBAGLBSA-N 267.720 0.687 0 50 CCAA CN1CC[C@@H](NC(=O)[C@H]2CC(=O)c3ccccc32)C1=O 19792763 JRAJJIJRZXERAJ-NWDGAFQWSA-N 272.304 0.704 0 50 CCAA Cc1cc(NC(=O)CN2CCC[C@@H](C)[C@@H]2C(=O)O)n(C)n1 424265840 IMQYYCGBHPIRME-NOZJJQNGSA-N 294.355 0.852 0 50 CCAA Cc1cc(C)n([C@H](C)CC(=O)N2CCO[C@H](C(=O)O)C2)n1 262891833 AHCZKVLQRCOTOV-NEPJUHHUSA-N 295.339 0.763 0 50 CCAA COc1cc(CN2CC[C@H](CO)[C@@H](O)C2)cc(OC)c1 1203851835 GZFDHJABTNTHHH-DOMZBBRYSA-N 281.352 0.879 0 50 CCAA Cn1ccc(C(=O)N2CCC[C@H]2C2(O)CC2)cc1=O 1772812783 QMDQMZACYBPDGX-NSHDSACASA-N 262.309 0.515 0 50 CCAA COCC1(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)O)C2)CC1 903560299 AZCLSIKBPZIHAC-VHSXEESVSA-N 291.369 0.728 0 50 CCAA CCOC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 256369 CQTCJKDQXQGZRA-UHFFFAOYSA-N 299.348 0.884 0 50 CCAA CC(C)c1nccn1Cc1nc(N)nc(N(C)C)n1 120799573 MQKHYUMCHGBKPR-UHFFFAOYSA-N 261.333 0.888 0 50 CCAA CN1C[C@H](C(=O)N(C)C[C@@H]2CCC[C@H]2O)CC1=O 407994376 CMONFHSATKUJEZ-HBNTYKKESA-N 254.330 0.084 0 50 CCAA CC(C)[C@H](CNC(=O)NCCC(=O)O)N1CCCC1 817853548 WEZDMFHWZDHDIQ-NSHDSACASA-N 271.361 0.881 0 50 CCAA C[C@@H]1CC[C@H](O)CN1C(=O)c1ccnc2[nH]cnc12 922419148 MEDBRHGFSVMOMF-BDAKNGLRSA-N 260.297 0.943 0 50 CCAA Cn1cnc2c(N3CC(C)(C)C[C@@H]3CC(N)=O)ncnc21 2325790929 XWTSSRJZVMSVKD-VIFPVBQESA-N 288.355 0.844 0 50 CCAA CN(c1ncnc2[nH]ccc12)[C@H]1CCCS(=O)(=O)C1 2325799706 QVZKSTISERCOCN-VIFPVBQESA-N 280.353 0.971 0 50 CCAA O=C(O)[C@@H](Cc1cnc[nH]1)N1C(=O)c2ccccc2C1=O 130002 CTUUVOUXZNQMSU-LLVKDONJSA-N 285.259 0.702 0 50 CCAA in-vitro CCOC(=O)C(C[C@@H](C)C(=O)OC)C(=O)OCC 2166415 POERXGUGCHUEOK-MRVPVSSYSA-N 260.286 0.928 0 50 CCAA CCN(CC(=O)O)S(=O)(=O)c1ccc(OC)cc1 2883732 LENVEGHZSHMQJR-UHFFFAOYSA-N 273.310 0.790 0 50 CCAA COCCN1CN(C(=O)c2ccc(C)n2C)CC1=O 282497051 QKBCGAPZOPIMPS-UHFFFAOYSA-N 265.313 0.222 0 50 CCAA CCc1ccccc1S(=O)(=O)NCC(C)(CO)CO 521394438 BXARQAQYYZWBKE-UHFFFAOYSA-N 287.381 0.518 0 50 CCAA Cn1cc(-c2cc(CN3CCn4ncnc4C3)on2)cn1 329915459 DBQIVEXXHOPLJH-UHFFFAOYSA-N 285.311 0.682 0 50 CCAA COc1ccccc1CCN1C(=O)N[C@H](CC(=O)O)C1=O 170622853 DVZVHZCFUPEHAP-SNVBAGLBSA-N 292.291 0.633 0 50 CCAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 67909926 SRUUVPRJXQFQIX-LLVKDONJSA-N 290.367 0.944 0 50 CCAA COC(=O)[C@H]1CC12CCN(CCN1CCO[C@H](C)C1)CC2 253396816 HJNVXLDARLTBCP-ZIAGYGMSSA-N 296.411 0.982 0 50 CCAA COc1cccc(OCCN2C[C@@H](OC)C[C@H]2C(N)=O)c1 284784160 YMPNPXXSTOJMFL-KBPBESRZSA-N 294.351 0.649 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)[C@H]1C 284921230 BUKHHZUTHGRYIT-BDAKNGLRSA-N 287.341 0.212 0 50 CCAA CO[C@H]1CCN(Cc2cccc(OCC(N)=O)c2)C1 216429340 NNWSDNUGHFQBSN-ZDUSSCGKSA-N 264.325 0.771 0 50 CCAA CCc1noc(C2CCC(NCc3nnn(C)n3)CC2)n1 328588485 QCHCZZUWQVCRDF-UHFFFAOYSA-N 291.359 0.972 0 50 CCAA CO[C@@H](C)CC(=O)N(CC(=N)O)C[C@@H]1CN(C)CCO1 328654187 XHMVYFUZLKJCEH-QWRGUYRKSA-N 287.360 0.106 0 50 CCAA CC(=O)NCc1ccc(C(=O)N2CCN[C@@H](C)C2)s1 155076249 CSYJPKZLWAHUMF-VIFPVBQESA-N 281.381 0.818 0 50 CCAA O=C(N1CCC[C@@H]1[C@H]1COCC[C@@H]1O)C1(O)CCCC1 329814347 DCWXDFBBMNDQSN-UPJWGTAASA-N 283.368 0.680 0 50 CCAA O=C(c1cn[nH]c1)N1CCC(N2CCOCC2)CC1 215251172 CHONITPPKZSIGZ-UHFFFAOYSA-N 264.329 0.347 0 50 CCAA C[C@](O)(CNC(=O)c1nccnc1N)c1ccco1 262387198 LNTFVAADBSHRKF-LBPRGKRZSA-N 262.269 0.289 0 50 CCAA O=C(NCc1n[nH]c2c1CCC2)C(=O)c1ccco1 215716171 PDSHZZNQKHBRGH-UHFFFAOYSA-N 259.265 0.991 0 50 CCAA CCN1CC[C@H]2OCCN(Cc3ccnc(OC)n3)[C@H]2C1 333548630 MDNGJGAONDPCQB-UONOGXRCSA-N 292.383 0.780 0 50 CCAA CO[C@H]1CN(C(=O)CCc2n[nH]c(C)c2C)CC[C@H]1N 71774925 QZAVCRJEGVKAOD-YPMHNXCESA-N 280.372 0.534 0 50 CCAA COc1ccccc1[C@H](O)CNC(=O)[C@H]1CSCN1 178028997 BSUFWCHLHHFZMA-GHMZBOCLSA-N 282.365 0.507 0 50 CCAA CO[C@H]1CNC[C@H]1NC(=O)CCc1ccsc1 133926043 PCMHDAMOWLBPFD-MNOVXSKESA-N 254.355 0.784 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)[C@H](C)n1cccn1 426690237 GKLXUPXOYILSEP-LBPRGKRZSA-N 273.340 0.798 0 50 CCAA CNc1ncc(C(=O)N[C@H](CC(=O)O)CC(C)C)cn1 426465150 IMEAIOOTDBUOFF-JTQLQIEISA-N 280.328 1.138 0 50 CCAA O=S(=O)(N[C@@H]1CCNC[C@H]1O)c1cccc(Cl)c1 534656895 PHIKUKFLZAQGLZ-GHMZBOCLSA-N 290.772 0.341 0 50 CCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1occc1C 293831267 VSYBFZXILLBSBS-WDEREUQCSA-N 266.297 0.186 0 50 CCAA O=C(NC[C@H](c1ccco1)N1CCCC1)c1cnn[nH]1 97831079 ZAWUMYZZXAVLPP-LLVKDONJSA-N 275.312 0.965 0 50 CCAA C[C@H](C1CCN(c2nccc(N)n2)CC1)N1CCOCC1 95382056 FQZUNPIWSHIGQZ-GFCCVEGCSA-N 291.399 0.996 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CC[C@H](CN)C1 534639458 BVRSWWVFFZJDHH-SNVBAGLBSA-N 272.374 0.181 0 50 CCAA Cc1ccc2nc(CCN3C[C@@H](CO)[C@H](CO)C3)[nH]c2c1 1506420332 CRFDFCYMXXMEFF-STQMWFEESA-N 289.379 0.946 0 50 CCAA COc1cc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)ccc1F 1940195012 IIRUHTCGIKVTGV-FPQZTECRSA-N 297.282 0.091 0 50 CCAA Cc1cc(N)n(CC(=O)NC2(C(=O)O)CCCC2)n1 299802961 ZDLOAGXLPMCXRN-UHFFFAOYSA-N 266.301 0.287 0 50 CCAA Cc1nnc(CN2CCN(c3nonc3C)CC2)s1 299798700 RUFGCDSAVMTACY-UHFFFAOYSA-N 280.357 0.860 0 50 CCAA CN1CCC(CCC(=O)NC[C@@H]2CN(C)CCN2C)CC1 823761125 KDUMLKHHUOIPCT-OAHLLOKOSA-N 296.459 0.470 0 50 CCAA NC(=O)C1(c2ncnn2-c2ccc3c(c2)OCCO3)CC1 826828633 GVPDNJCKOZBXFZ-UHFFFAOYSA-N 286.291 0.555 0 50 CCAA NC(=O)c1noc(CNC(=O)CCC(F)(F)F)n1 584895417 KMEDKTVMXLNJIV-UHFFFAOYSA-N 266.179 0.127 0 50 CCAA Cc1ncc(/C=C/C(=O)N2CCOC[C@H]2C(=O)O)s1 268964803 CDNAHBOFTTWYDC-PBKGFPTLSA-N 282.321 0.777 0 50 CCAA O=C(NCC[C@@H](O)CO)C1(N2CCCC2)CCCCC1 584893613 QVHDYDXMPZDCRE-CYBMUJFWSA-N 284.400 0.645 0 50 CCAA N[C@@H]1C2C[C@H]3[C@@H](C2)C31C(=O)N=c1cc(-c2cccnc2)[nH][nH]1 1875320102 GVAVMGZDPYPJQN-ZYPOPQTISA-N 295.346 0.815 0 50 CCAA Cc1noc(=O)n1CC(=O)N(C)Cc1ccco1 1875391332 LLRIARVJQSUUCT-UHFFFAOYSA-N 251.242 0.396 0 50 CCAA CC(C)[C@H](N)C(=O)NC[C@]1(C)CN(C(C)C)C1=O 1875369043 NWOLSCMFTAHNJX-GXFFZTMASA-N 255.362 0.343 0 50 CCAA O=C(NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12 1875291873 OHYMLHFAFBMYFR-FWMOPTMZSA-N 292.335 0.572 0 50 CCAA Cc1nc(O)cc(N2CCC[C@@H](N3CCNC3=O)C2)n1 892003518 BZJMZCNJAPRXCM-SNVBAGLBSA-N 277.328 0.485 0 50 CCAA Cc1nc[nH]c1S(=O)(=O)NC(=O)C[C@H]1C=CCC1 1775992894 OUZBUMFOLAQKOA-VIFPVBQESA-N 269.326 0.879 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N(C)CCN(C)C1CC1 170598364 WONAWDKXXDDOFQ-UHFFFAOYSA-N 294.399 0.968 0 50 CCAA CCOC(CN1CCN(C[C@@H](O)CC)CC1)OCC 170595552 PWPXRTCUYLGJRR-ZDUSSCGKSA-N 274.405 0.774 0 50 CCAA COCC1(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 408146816 VLCQIOWHIXLMRG-VIFPVBQESA-N 261.343 0.106 0 50 CCAA C[C@@H](CN)N(C)S(=O)(=O)Cc1ccc(Cl)nc1 170684806 LTEJLEWBZFEAIP-QMMMGPOBSA-N 277.777 0.844 0 50 CCAA Cc1cc(NC(=O)C(=O)NC(C)(C)CO)ccc1N(C)C 170617140 YGWBKNBEWUTTJK-UHFFFAOYSA-N 293.367 0.887 0 50 CCAA COC(=O)CSCCNC(=O)[C@H]1CCCCC[C@@H]1N 225437130 JJDAFLGYHMPRHW-QWRGUYRKSA-N 288.413 0.916 0 50 CCAA O=C(C1=CCOCC1)N1CCC(c2nnc(O)o2)CC1 647675936 PFLSSHLIYBKMBJ-UHFFFAOYSA-N 279.296 0.828 0 50 CCAA CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccnc(C)n1 664267106 BKNRQYGORNAGEN-IUCAKERBSA-N 257.315 0.009 0 50 CCAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N[C@@H]1CS(=O)(=O)C[C@H]1O 582497062 NCENHLKITQQSSC-PREPNJAASA-N 287.381 0.087 0 50 CCAA CC(C)c1cc(C(=O)N2CC[C@@H](C(=O)O)C2)nc(N)n1 1506415563 PHDWNGZWHLQVAX-MRVPVSSYSA-N 278.312 0.729 0 50 CCAA C/C(Cl)=C/Cn1c(N)nc2c1c(=O)[nH]c(=O)n2C 40109 PNKDLMZVSPYHIW-HYXAFXHYSA-N 269.692 0.148 0 50 CCAA O=C([C@@H]1NCCOc2ccccc21)N1CCn2cnnc2C1 1615615890 TVOWGHDWZVHNKZ-CQSZACIVSA-N 299.334 0.344 0 50 CCAA COc1cc(CNCCCN(C)C)ccc1OCC(N)=O 5272007 WYRMHOZNQKXUQI-UHFFFAOYSA-N 295.383 0.601 0 50 CCAA CC1=NC(=O)C2(CCN(c3nncc(C)c3C)CC2)N1 1857708100 VGFSMOXGANKRFH-UHFFFAOYSA-N 273.340 0.981 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H](C(=O)O)C1 237718110 VLSZXPXROPPSNU-JTQLQIEISA-N 281.312 0.349 0 50 CCAA CC(=O)N1CC[C@](C)(C(=O)Nc2nc(C(N)=O)cs2)C1 369969209 IIUVLEFVRWVLMP-LBPRGKRZSA-N 296.352 0.439 0 50 CCAA CCCNC(=O)CCNC(=O)N1CC[C@]2(CCOC2)C1 158379717 NOHYGBFLNLSOFZ-AWEZNQCLSA-N 283.372 0.725 0 50 CCAA CN1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)[C@@H](CO)C1 585128076 RGGURTBMTJMCQL-XDQVBPFNSA-N 266.385 0.948 0 50 CCAA CC/C(C)=C/C(=O)N1CCC[C@]1(COC)C(N)=O 818380288 FZJWATCMTXVJEF-FROQITRMSA-N 254.330 0.836 0 50 CCAA COc1ccc(S(=O)(=O)N(C)CC(OC)OC)cc1 2745544 IUJUBDBNXPFRGW-UHFFFAOYSA-N 289.353 0.935 0 50 CCAA COC[C@@H](C)CN(C)C[C@H]1CCCN(S(C)(=O)=O)C1 252511362 FXGSTDGQLPGAMF-QWHCGFSZSA-N 292.445 0.872 0 50 CCAA CC[C@@H](NC(=O)c1ccnc2[nH]cnc12)C(=O)OC 272193987 GBJNTZRSLDUPOX-MRVPVSSYSA-N 262.269 0.639 0 50 CCAA Cc1nnc(CN2CCC[C@H]2C(=O)N(C)C)s1 271389136 FUXAENGVOIMVGQ-VIFPVBQESA-N 254.359 0.899 0 50 CCAA O=C(NC[C@@H]1CCCC[C@H]1O)[C@@H]1CCc2nn[nH]c2C1 332745094 BTFCXWPKWZKHEK-GBIKHYSHSA-N 278.356 0.577 0 50 CCAA NC(=O)c1cccc(CN2CC[C@@](F)(CO)C2)c1 338627820 XTVHXBGFFHMGMU-ZDUSSCGKSA-N 252.289 0.692 0 50 CCAA CCN1CCN(S(=O)(=O)c2cn[nH]c2)CC1(C)C 823112128 FJYKAIFQVPRBSS-UHFFFAOYSA-N 272.374 0.515 0 50 CCAA O=C(N1CCC[C@H]1c1nn[nH]n1)C12CSC(C1)C2 2325799307 KEXGSMFVYHGTON-KAIZJQOQSA-N 265.342 0.759 0 50 CCAA CCOC(=O)c1c(C(=O)O)[nH]c(C(=O)O)c1C(=O)OCC 2519536 BFJDCLVUUNLIGT-UHFFFAOYSA-N 299.235 0.765 0 50 CCAA Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1C(N)=O 113147091 GZIXKSUPRSPPIB-SNVBAGLBSA-N 250.302 0.209 0 50 CCAA COCCn1ccc2c(cnc3nc(C)nn32)c1=O 9290526 WAGUMJISMQFHIF-UHFFFAOYSA-N 259.269 0.394 0 50 CCAA CC(C)[C@H](C)NC(=O)CN1CCOC[C@]12CCOC2 249443810 FQMIPDDJBPZVJZ-GXTWGEPZSA-N 270.373 0.638 0 50 CCAA CC(C)NC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 27240910 CIBVHXZQSUIJJX-SNVBAGLBSA-N 278.308 0.467 0 50 CCAA CCn1c([C@H]2CCCNC2)nn(CC(F)F)c1=O 67982736 RRGVOTGKRVRLIU-QMMMGPOBSA-N 260.288 0.797 0 50 CCAA Cn1cc([C@@H]2CN(CCn3ccnc3)C[C@H]2CO)cn1 328615071 RNSKHICVVBKKLQ-KBPBESRZSA-N 275.356 0.325 0 50 CCAA CCC[C@H](C(=O)N1CCc2c(ncn(C)c2=O)C1)N(C)C 328641387 XVLVANWXQFGLCF-CYBMUJFWSA-N 292.383 0.395 0 50 CCAA COCC1(C(=O)N2C[C@H](OC)[C@H](OC)C2)CCOCC1 356154301 SSGXVCDRQKCOKO-TXEJJXNPSA-N 287.356 0.302 0 50 CCAA O=C(CCc1cscn1)OCCN1C(=O)CNC1=O 253425424 AUTVQEPIBKYKLD-UHFFFAOYSA-N 283.309 0.171 0 50 CCAA O=S(=O)(CCC1CCC1)NC[C@@H]1CCCS1(=O)=O 329856886 VARDFTFVFKHKDH-NSHDSACASA-N 295.426 0.673 0 50 CCAA CN(C(=O)C1(N)CC1)[C@H]1CCN(c2ccccc2F)C1=O 237033818 NXEGAIKZHKLTBE-LBPRGKRZSA-N 291.326 0.881 0 50 CCAA O=C1CC[C@@H](C(=O)NCCc2noc(C3CCCC3)n2)N1 215799786 IDAVLTFDQZVBMC-JTQLQIEISA-N 292.339 0.665 0 50 CCAA COCC[C@H]1CN(C(=O)c2nc(C)c[nH]2)CCO1 218786872 WOTZPHUMNGPOKH-JTQLQIEISA-N 253.302 0.596 0 50 CCAA Cc1cc(N2C[C@@H](CO)[C@H](CO)C2)n2nc(C)cc2n1 72433385 OTMRFJYLHYMYAV-RYUDHWBXSA-N 276.340 0.383 0 50 CCAA O=C(O)CCCC(=O)N1CCC(N2CCC[C@@H](O)C2)CC1 70638775 UMPGJOAVYFHEKW-CYBMUJFWSA-N 298.383 0.689 0 50 CCAA CC(=O)N1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 343749291 BLGIMOUBXMSYBJ-LLVKDONJSA-N 272.345 0.117 0 50 CCAA COCCN(CC(=O)O)C(=O)c1c(C)nc2ncccn12 426407520 JYNPALJIYSUJDC-UHFFFAOYSA-N 292.295 0.211 0 50 CCAA Nc1nc(=NCc2nccs2)cc([C@@H]2CCOC2)[nH]1 426722720 VZLIIUJYDJJZKJ-MRVPVSSYSA-N 277.353 1.053 0 50 CCAA O=C(NCc1cccc(F)c1)NC[C@]1(O)CCCNC1 426401619 DVLZPKAFOQLHHZ-AWEZNQCLSA-N 281.331 0.739 0 50 CCAA CCOCCS(=O)(=O)N[C@H]1CC[C@H](CO)CC1 179503954 MPEVXFNICIKJIB-PHIMTYICSA-N 265.375 0.493 0 50 CCAA Cc1nc(O)c(C(=O)N[C@H](CC(=O)O)C(=O)O)c(C)c1C 426545411 PARZBQHJYXXQOE-MRVPVSSYSA-N 296.279 0.370 0 50 CCAA CC1(C)CNC(=O)c2nc(COCCO)[nH]c2C1 95502269 GGQRHZUKKBKJPO-UHFFFAOYSA-N 253.302 0.231 0 50 CCAA Cn1nc(C(=O)NCCSc2ccccn2)ccc1=O 97642399 VCPUSLFQTWTQOR-UHFFFAOYSA-N 290.348 0.697 0 50 CCAA Cc1nnc(CNc2ncc(F)c(N(C)C)n2)o1 95372158 UDVAOEYDSXPIHP-UHFFFAOYSA-N 252.253 0.985 0 50 CCAA CCC[C@]1(CO)CCCN(C(=O)CCNC(C)=O)C1 91593738 BHANANCAECYLHW-AWEZNQCLSA-N 270.373 0.914 0 50 CCAA CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H](C(=O)O)C1 299742791 KKCVFZMZMPRCKD-SNVBAGLBSA-N 291.369 0.380 0 50 CCAA CN1C[C@H](NC2CSCCSC2)C[C@H]1C(=O)O 534629392 GKGIHIAGPSKHSU-SCZZXKLOSA-N 276.427 0.582 0 50 CCAA COC(=O)c1ccc(S(=O)(=O)CC(=O)NC2CC2)cc1 864037101 QCCWEZCNOBPQEQ-UHFFFAOYSA-N 297.332 0.526 0 50 CCAA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]c(=O)[nH]1)C2 299775234 HNDUFQGIRZJQEI-JZYVYDRUSA-N 264.329 0.115 0 50 CCAA COCCCN1CC[C@H](CNC(=O)c2n[nH]nc2C)C1 299773755 DPYPWDKYPGUGNI-LLVKDONJSA-N 281.360 0.201 0 50 CCAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](O)C2 823597184 UVVSXYQZHHUXPV-JTQLQIEISA-N 295.408 0.942 0 50 CCAA CN(C)[C@H]1CN(C2CCN(Cc3ccco3)CC2)C[C@@H]1O 584887990 JKZFIALWYRMKMM-HOTGVXAUSA-N 293.411 0.851 0 50 CCAA COCc1nc(CN2CCCC2)n(CCCO)n1 670458284 YSIREUQLRPJPNP-UHFFFAOYSA-N 254.334 0.403 0 50 CCAA Nc1nc(CNC(=O)COC[C@@H]2CCCCO2)cs1 584901579 HZBYXMRZFYACBX-JTQLQIEISA-N 285.369 0.927 0 50 CCAA CN(C)C(=O)c1cncc(N2CCO[C@@H](C3CC3)C2)n1 670439386 VBNLRQYWGORFKU-GFCCVEGCSA-N 276.340 0.794 0 50 CCAA C[C@@]1(C(=O)N2CCC(Cc3nn[nH]n3)CC2)CCCOC1 1548804633 UEDDNJLJHFYTCQ-CQSZACIVSA-N 293.371 0.798 0 50 CCAA CC1=CCCN(C(=O)c2n[nH]c3c(O)ncnc23)C1 1875404038 RGZJXRLAEYZBSS-UHFFFAOYSA-N 259.269 0.851 0 50 CCAA C[C@](O)(C(=O)N[C@H]1CC[S@](=O)C1)c1cccc(F)c1 1875261935 OLZDYQRDEJKSIL-XAEJFWIOSA-N 285.340 0.670 0 50 CCAA C[C@H](ONC(=O)CN1C(=O)CCC1=O)c1ccncc1 1875297942 JBJHYLNMCDSDDW-VIFPVBQESA-N 277.280 0.339 0 50 CCAA NC1CCN(C(=O)[C@H]2CCc3nnc(C4CC4)n3C2)CC1 1875311991 FOFVAOBBUAJKTE-NSHDSACASA-N 289.383 0.668 0 50 CCAA CCc1nc([C@H]2CN(C(C)=O)Cc3c[nH]nc32)n[nH]1 1875321729 SSGLDHHLYZKNGT-VIFPVBQESA-N 260.301 0.584 0 50 CCAA C=CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1875374603 ABBWNORVSAPXTL-UWVGGRQHSA-N 270.329 0.659 0 50 CCAA CCc1nn(C)c(Cl)c1CNCc1nc(O)n[nH]1 952860386 OHAZVXNKQRBAFY-UHFFFAOYSA-N 270.724 0.749 0 50 CCAA Cc1ccc(C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)cc1 889647164 WEOWXXGLXDYVRA-HNNXBMFYSA-N 286.335 0.866 0 50 CCAA NC(=O)c1nccnc1N1CCC(c2nc[nH]n2)CC1 1412906855 TVEKVECPXMVXIR-UHFFFAOYSA-N 273.300 0.078 0 50 CCAA Cc1nc(C)c(C(=O)N[C@H]2CCOC[C@@H]2OCC(=O)O)o1 1565512611 XVZTWSZYXKAFKZ-UWVGGRQHSA-N 298.295 0.280 0 50 CCAA CC[C@H]1C(=O)NCCN1Cc1cccc(C(=O)OC)n1 579432905 XONVXRXTBKIJAV-LBPRGKRZSA-N 277.324 0.579 0 50 CCAA CNC(=O)[C@H]1CN(c2ncnc3sccc23)CCO1 273263936 WFEBXOKZLVGZBO-SECBINFHSA-N 278.337 0.643 0 50 CCAA O=S(=O)(C1COC1)N1CCO[C@@H](c2cccs2)C1 277076514 PQEMAFPJARBEHS-SNVBAGLBSA-N 289.378 0.850 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1CCC[C@H]1c1ncc[nH]1 584969702 HTLQIPQGOHUEIA-ZDUSSCGKSA-N 297.123 0.605 0 50 CCAA CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccco1)CC2 188691495 ZYWFKGLDTDVAOD-SECBINFHSA-N 296.352 0.727 0 50 CCAA CC(C)c1n[nH]c(Cn2cc(C[C@@H](O)C3CC3)nn2)n1 641171331 QQAUXDGGROVSGK-LLVKDONJSA-N 276.344 0.881 0 50 CCAA CNC(=O)C[C@@H]1CCN(c2cc(N)nc(SC)n2)C1 1506398040 SOGZBMKKSQBYNW-QMMMGPOBSA-N 281.385 0.743 0 50 CCAA Cc1[nH]ncc1C(=O)N1CCOC[C@@H]1CC(=O)O 128207352 SXRMPQZLMHKOPN-QMMMGPOBSA-N 253.258 0.034 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C[C@@]2(O)CCCOC2)N(C)C1 660512193 NXIPCPIXSPFGGR-IHRRRGAJSA-N 272.389 0.179 0 50 CCAA C[C@H]1CN(Cc2ccc3onc(N)c3c2)CC(=O)N1 1616037243 HNRQXYLCUMBRRJ-QMMMGPOBSA-N 260.297 0.730 0 50 CCAA Cn1cc(C(=O)N[C@H]2CCCc3c[nH]nc32)nc1O 1629891286 YMWVECAYGKFFCS-QMMMGPOBSA-N 261.285 0.656 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)Cn1ccnc1 577448117 VFZMELASRSMYGL-QWRGUYRKSA-N 253.302 0.193 0 50 CCAA CCc1nc(C)c(CN2C[C@H]3CNC[C@]3(CO)C2)[nH]1 1772700331 CVSNLYCLLJFOFJ-BXUZGUMPSA-N 264.373 0.294 0 50 CCAA O=C(NCCN1CCOCC1)c1onc2ncccc12 1775982283 NPTPOUUDGQEWEF-UHFFFAOYSA-N 276.296 0.285 0 50 CCAA CCN(C)Cc1cnc(S(=O)(=O)CC)n1CCOC 11935294 JITDVGYSKAYKQZ-UHFFFAOYSA-N 289.401 0.775 0 50 CCAA COC(=O)CN1CCN(C(=O)c2ccsc2)CC1=O 19111829 LFUKEWSYVPGFNU-UHFFFAOYSA-N 282.321 0.206 0 50 CCAA Cc1cc(C)n(CCCNC(=O)c2c[nH]c(=O)[nH]2)n1 19792726 BNRRVQQPZMPKPG-UHFFFAOYSA-N 263.301 0.336 0 50 CCAA CN1CCN(C(=O)C(C)(C)F)C[C@H]1c1ncc[nH]1 328619725 GDGXINJIPLESDU-VIFPVBQESA-N 254.309 0.973 0 50 CCAA O=C(O)CCNC(=O)c1cccc(-n2ccnn2)c1 238191142 YBEHTKVSWXIHCI-UHFFFAOYSA-N 260.253 0.472 0 50 CCAA CC(C)[C@H]1CN(S(=O)(=O)N(C)C(C)C)C[C@@H]1C(=O)O 248042140 VTUMFXXATLIDQL-MNOVXSKESA-N 292.401 0.860 0 50 CCAA C[C@@H](N)c1ncc(C(=O)Nc2c[nH]nc2C(N)=O)s1 1218564589 KQRMPMUMXQTKLX-SCSAIBSYSA-N 280.313 0.237 0 50 CCAA CC(C)(C)OC(=O)NC[C@]1(C(=O)O)CCCS1(=O)=O 1857783123 RMHQIUFIUXCWGI-NSHDSACASA-N 293.341 0.543 0 50 CCAA O=C(Cc1n[nH]c2ccccc12)NC[C@@H]1COCO1 861968035 OOZNRPSCNCBOHI-SECBINFHSA-N 261.281 0.595 0 50 CCAA O=C1COc2ccc(C(=O)N[C@H]3CCNC3)cc2N1 125984683 VKLLYCLRXMGIHJ-VIFPVBQESA-N 261.281 0.109 0 50 CCAA CC(C)NC[C@H](O)CN1C(=O)COc2ccccc21 36950794 HRTACSWYUYQKBT-NSHDSACASA-N 264.325 0.771 0 50 CCAA COCc1cccc(CN2CCC[C@](O)(C(N)=O)C2)c1 284918129 SXVCHVATRBJSPY-OAHLLOKOSA-N 278.352 0.645 0 50 CCAA CC(C)n1nccc1C(=O)NCCCc1nn[nH]n1 426658172 FSLBJIMUIDEJAV-UHFFFAOYSA-N 263.305 0.340 0 50 CCAA Nc1cc(C(=O)NC[C@H]2CC[C@H](CO)CC2)[nH]n1 670472574 VXRDFQMNPOZSFL-KYZUINATSA-N 252.318 0.520 0 50 CCAA COCC(=O)N1CCC[C@@H](N2CCCCC2=O)C1 370984630 IJSQTOKGXUSGTE-LLVKDONJSA-N 254.330 0.636 0 50 CCAA Cc1nc(C)c(CNC(=O)[C@@H]2CN(C)CC[C@@H]2O)s1 2100534711 VFQDJJQDZTUQSV-MNOVXSKESA-N 283.397 0.689 0 50 CCAA O=C(NN1CC=CCC1)c1cncc(N2CCCC2)n1 2325797018 SCJSHDHEPNDTRE-UHFFFAOYSA-N 273.340 0.984 0 50 CCAA C[C@H]1[C@@H](O)CCN1c1ncnc2c1ncn2C/C=C/CO 2325815202 NGEUSNAAIGCADJ-ZNRGBCAMSA-N 289.339 0.334 0 50 CCAA Cc1nc([C@H]2CCN(C(=O)[C@@H](C(=O)O)C(C)C)C2)n[nH]1 911771760 DNRSQDKYKQKQOW-UWVGGRQHSA-N 280.328 0.786 0 50 CCAA Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)o1 1056205 HTLDEMPYBAOGRT-UHFFFAOYSA-N 272.326 0.305 0 50 CCAA CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O 1530776 BYPFEZZEUUWMEJ-UHFFFAOYSA-N 278.312 0.193 0 50 CCAA biogenic,fda O=C(NC(C(=O)O)C(=O)O)OCc1ccccc1 1707620 ZWVXUZYECNAQFP-UHFFFAOYSA-N 253.210 0.451 0 50 CCAA COc1cccc2c1[C@H](C(=O)N1C[C@H](O)C[C@H]1CO)CC2 344125017 JGLWEIPVRVMIHP-YNEHKIRRSA-N 291.347 0.679 0 50 CCAA COC(=O)Nc1nc2cc(S(=O)(=O)O)ccc2[nH]1 6578987 NMHSXXPZLXHOJO-UHFFFAOYSA-N 271.254 0.988 0 50 CCAA C[C@H]1CN(C(=O)c2cccnc2)[C@@H](C)CN1CCO 416301695 VPCYFLDEUDYLTF-RYUDHWBXSA-N 263.341 0.609 0 50 CCAA CN1CCC2(CC1)CN(C(=O)[C@H]1CCCO1)CCN2C 67688408 QNAWCEDNHICPAI-CYBMUJFWSA-N 281.400 0.404 0 50 CCAA CC[C@H](NC(=O)c1ccc(=O)n(C)n1)[C@H](O)C(F)(F)F 330544470 BJMZVSLPIDLDMM-RCOVLWMOSA-N 293.245 0.212 0 50 CCAA O=C(CN1CC[C@H](O)[C@@H](O)C1)NC1CCCCCC1 670470033 ISKMDDNGKGBUQJ-STQMWFEESA-N 270.373 0.253 0 50 CCAA COC(=O)[C@@H](C)N(C(=O)CCn1cncn1)C1CCC1 252478630 AQRRGUKZTYTZPV-SNVBAGLBSA-N 280.328 0.611 0 50 CCAA CC(C)[C@](O)(C(=O)O[C@@H]1CCN2CCC[C@@H]12)[C@H](C)O 22034215 JMQIGMSZSFQWEH-CIQGVGRVSA-N 271.357 0.534 0 50 CCAA CCc1cnc(CN(C)[C@@H]2CCN(C[C@@H](O)COC)C2)o1 229830173 RIWOUXFCETYLNJ-CHWSQXEVSA-N 297.399 0.750 0 50 CCAA CC[C@@](C)(C(=O)OC)N(CC(=O)NC(N)=O)CC1CC1 425508612 HJHDBJICQZVSBF-ZDUSSCGKSA-N 285.344 0.235 0 50 CCAA COC(=O)[C@@H]1CCCN1CP12(OCCO1)OCCO2 35327744 HCNWHSKRAKSQAW-JTQLQIEISA-N 293.256 0.888 0 50 CCAA C[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@@H](C)N1 154285818 WYZBFBMYOKBKDX-NXEZZACHSA-N 263.345 0.364 0 50 CCAA Cc1n[nH]c(C)c1CCCNC[C@@]1(O)CCNC1 72473339 KLSBFWYSHMLJFR-ZDUSSCGKSA-N 252.362 0.273 0 50 CCAA COC[C@H](O)CN1C(=O)C[C@](C)(c2ccsc2)C1=O 328587090 VCANRBWOIHSTJB-ZWNOBZJWSA-N 283.349 0.772 0 50 CCAA COc1ccc(C(=O)NC[C@@H]2CCn3ccnc3C2)nn1 328638838 WOMPJHXDIMORBQ-SNVBAGLBSA-N 287.323 0.674 0 50 CCAA O=C(CC[C@H]1CCCO1)N1CCO[C@H](c2ncon2)C1 329983552 BGXXKTRLJLJSCT-MNOVXSKESA-N 281.312 0.929 0 50 CCAA C=CC(=O)NCCC(=O)Nc1c(C)c(C)nn1C 490624484 RIZFYKLKBANFGK-UHFFFAOYSA-N 250.302 0.668 0 50 CCAA NC(=O)c1cc(CNC(=O)CC2(O)CCCCC2)on1 330490122 DIQJAUUGFQBFDY-UHFFFAOYSA-N 281.312 0.475 0 50 CCAA CNC(=O)c1ccc(CN2CCO[C@H](C)[C@H]2C(N)=O)cc1 284748416 YOVAPMHLQPKUCI-MFKMUULPSA-N 291.351 0.121 0 50 CCAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(CCn2cccn2)C1 284715187 VIBQURFEAHLYKO-NEPJUHHUSA-N 276.344 0.772 0 50 CCAA CCn1nc(C(=O)NC(C)(C)CO)c(=O)c2ccccc21 332710473 YNVNNAFOTBXUAX-UHFFFAOYSA-N 289.335 0.917 0 50 CCAA O=c1[nH]nc(CCn2ccnc2-c2ccncc2)[nH]1 72146894 SEADMHYTTWWFJC-UHFFFAOYSA-N 256.269 0.599 0 50 CCAA O[C@@H]1[C@H]2C[C@@H]3CN(c4cncc(-n5cccn5)n4)[C@@H]1[C@H]3C2 333275577 HYFCDKPTPVILKG-GLRJYAJPSA-N 283.335 0.868 0 50 CCAA OCn1nc(Br)nc1Br 217043678 FTFMZPKQLUIZEC-UHFFFAOYSA-N 256.885 0.753 0 50 CCAA COc1ccc(C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1F 285644701 UFPNYHCNLLYZLI-CQSZACIVSA-N 296.298 0.287 0 50 CCAA CCc1nc(CN2CCc3c(ncn(CC)c3=O)C2)n[nH]1 286296367 VHVWPXVFMSOZBC-UHFFFAOYSA-N 288.355 0.502 0 50 CCAA COCCn1cncc1CNC(=O)[C@@H](C)N(C)C 426359852 NLEKPXDQZVOXTK-SNVBAGLBSA-N 254.334 0.096 0 50 CCAA CC(C)(N)C(=O)Nc1c[nH]cc(Br)c1=O 423763192 PIJKGJLSAJSSID-UHFFFAOYSA-N 274.118 0.813 0 50 CCAA CN1C(=O)COc2ccc(C(=O)NCc3ccno3)cc21 426398218 VYIMTIWTVMIICH-UHFFFAOYSA-N 287.275 0.960 0 50 CCAA CN(CC(=O)N(C)Cc1ccc2nsnc2c1)C(N)=O 426489795 UMDBLCASBWSDCF-UHFFFAOYSA-N 293.352 0.660 0 50 CCAA COCC[C@@]1(CO)CCCN(CCS(C)(=O)=O)C1 91657140 NOGDPFVJOJVZEB-LBPRGKRZSA-N 279.402 0.142 0 50 CCAA Cn1ccc2ccc(C(=O)NCCN3CCNC3=O)cc21 95504817 MPVKWDASXWRFNQ-UHFFFAOYSA-N 286.335 0.933 0 50 CCAA CC(C)(C)OC(=O)N[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 250581576 BDISLHPIKVZWDN-FNCVBFRFSA-N 255.270 0.918 0 50 CCAA Cc1nnnn1-c1cccc(C(=O)N[C@H](CO)C(C)C)c1 252508251 XIGMJGJMHXNLHT-CYBMUJFWSA-N 289.339 0.717 0 50 CCAA CCN1C[C@H](CN=c2[nH]cnc3[nH]ccc23)CC1=O 651422431 ZRMNOKWNWHPCDD-VIFPVBQESA-N 259.313 0.660 0 50 CCAA COCCNC(=O)N1CCC(CN)(C(F)(F)F)CC1 725264689 JFQZHCPYGXKOHG-UHFFFAOYSA-N 283.294 0.946 0 50 CCAA CS(=O)(=O)c1cnc2nc3ccccc3n2c1N 827582569 LUKDTBLRZZGUTN-UHFFFAOYSA-N 262.294 0.868 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@H](C)c2nncn2C)c1C 827999936 ZKJCUFZSUGOQJJ-SNVBAGLBSA-N 276.344 0.965 0 50 CCAA Cc1ccc(=O)n(CC(=O)NCCc2c(C)n[nH]c2C)n1 670458209 DPSLHQMUCHGNRZ-UHFFFAOYSA-N 289.339 0.251 0 50 CCAA O=c1c2ncccc2ncn1[C@H]1COC2(CCNCC2)C1 670452395 PMSGGCFPYGJTMT-LLVKDONJSA-N 286.335 0.875 0 50 CCAA Cn1nccc1[C@H](O)CNC(=O)N[C@@H]1C[C@H]1C(F)(F)F 1548453505 VSZQXMOHUSIYOI-ZXFLCMHBSA-N 292.261 0.704 0 50 CCAA CC1(CS(=O)(=O)N2CC(O)(C(=O)O)C2)CCCCC1 871997644 ZMGFZACHINTVJQ-UHFFFAOYSA-N 291.369 0.418 0 50 CCAA C[C@H](NC(=O)C1(C(N)=O)CC1)c1cnn(C2CC2)c1 1875396660 QGQIGQKVVMQDBY-QMMMGPOBSA-N 262.313 0.661 0 50 CCAA Cc1nocc1C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 888095115 IZBSFRMDCNYAKC-LOWVWBTDSA-N 293.323 0.539 0 50 CCAA CC1(C)CO[C@@H](CS(=O)(=O)NCCc2cn[nH]c2)C1 1775984850 TUZNWLDZLHGYFF-LLVKDONJSA-N 287.385 0.687 0 50 CCAA N[C@H]1CCN(c2ncc(F)c(N3CCCC3)n2)C[C@@H]1O 1565528332 ZDYWZAWDTFYPDY-QWRGUYRKSA-N 281.335 0.114 0 50 CCAA CS(=O)(=O)CCn1cc(Br)ccc1=O 84434938 AGNQYMOWIBRFNN-UHFFFAOYSA-N 280.143 0.655 0 50 CCAA in-vitro O=C(NS(=O)(=O)C1CCC1)[C@H]1C[C@]12CCOC2 408485057 NSVSIOMLJVVOEA-KOLCDFICSA-N 259.327 0.412 0 50 CCAA O=C(NS(=O)(=O)[C@@H]1CCCOC1)c1cscn1 408407406 XDDSCESIFDAZBY-SSDOTTSWSA-N 276.339 0.382 0 50 CCAA Cc1o[nH]c(=N)c1S(=O)(=O)NC(=O)[C@H](C)C1CCC1 408505509 XCXYMVPKVWZHJH-ZCFIWIBFSA-N 287.341 0.637 0 50 CCAA Cc1noc([C@H]2COCCN2Cc2nc(N(C)C)no2)n1 193005302 MFYUXIJUEUUYIL-SECBINFHSA-N 294.315 0.401 0 50 CCAA CC(C)CCn1ccc(=NC(=O)[C@]23CNC[C@H]2COC3)[nH]1 653098432 NHCMCICDNZMUJR-WFASDCNBSA-N 292.383 0.526 0 50 CCAA Cn1nnc2cc(C(=O)N3CC[C@]4(CCNC4)C3)cnc21 574517021 ZYWKXCCESUKPHN-AWEZNQCLSA-N 286.339 0.189 0 50 CCAA C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(N)=O 585122173 PKLWMLWVTNZCGX-GFCCVEGCSA-N 275.352 0.595 0 50 CCAA Cc1cc(NCC(=O)N(C)C)nc(N2CCCC2)n1 1506396991 XNTCMWXKTVTKIB-UHFFFAOYSA-N 263.345 0.885 0 50 CCAA CCN(CCN1CCOCC1)c1nc(C(=O)O)co1 1529107249 YFHYJFUMXCMWKP-UHFFFAOYSA-N 269.301 0.531 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3cnc(N)nc3)C[C@@H]2O)n[nH]1 1529125080 IIEYVJGEHYLXAQ-YPMHNXCESA-N 288.355 0.126 0 50 CCAA COC(=O)[C@H]1CC12CCN(C(=O)c1cnns1)CC2 408158286 MYWIERVUUATZCX-MRVPVSSYSA-N 281.337 0.953 0 50 CCAA CC[C@H]1C(=O)NCCCN1C(=O)c1cnn2ccncc12 1615038690 JFAJEWDRUWTOBR-NSHDSACASA-N 287.323 0.470 0 50 CCAA CC[C@H]1CN(c2nnnn2CCNC(C)=O)C[C@@H](CC)O1 1616032698 SNBUTSIERALZTG-TXEJJXNPSA-N 296.375 0.203 0 50 CCAA Nc1nc(SCC(=O)N2CCCCCC2)n[nH]1 5473083 KHDPVVYDKKFTAY-UHFFFAOYSA-N 255.347 0.882 0 50 CCAA N[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)cc2)C[C@H]1O 1857721033 WORMTRJZNJAIJE-IACUBPJLSA-N 278.352 0.539 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)NCc1nc(N(C)C)no1 356406113 NBECAPAYKVQUMC-NXEZZACHSA-N 282.344 0.957 0 50 CCAA CCc1cc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)on1 1875246524 QHUQAUWXJZKDNO-OCCSQVGLSA-N 277.324 0.770 0 50 CCAA Cc1nc(N(C)C=O)nc(OC(=O)N(C)C)c1C 6069077 GDEAMEURJBBCOQ-UHFFFAOYSA-N 252.274 0.746 0 50 CCAA in-vitro COc1cccc(-c2noc(Cn3ncn(C)c3=O)n2)c1 154049418 FLFVAQRRBYBQDT-UHFFFAOYSA-N 287.279 0.689 0 50 CCAA CCc1nsc(NCCN2C(=O)CNC2=O)n1 267383583 LYFAUKCWPHAMEK-UHFFFAOYSA-N 255.303 0.064 0 50 CCAA Cc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)cc1 1704337291 QHKHUMDNKGCDPM-KGLIPLIRSA-N 260.337 0.942 0 50 CCAA Cc1nc(CNS(=O)(=O)CC[C@H]2CCCO2)n[nH]1 907991993 VXQKVRBXFFIZRT-SECBINFHSA-N 274.346 0.102 0 50 CCAA C=CC(=O)N(CC)CC(=O)NCc1cc(C)nn1C 908070019 VISVQKLUCNWHGA-UHFFFAOYSA-N 264.329 0.379 0 50 CCAA C[C@H](N)c1ncc(C(=O)Nc2c[nH]nc2C(N)=O)s1 1218564585 KQRMPMUMXQTKLX-BYPYZUCNSA-N 280.313 0.237 0 50 CCAA OC[C@H](O)C1CCN(Cc2nc(C(F)(F)F)no2)CC1 1772704748 DSWGVZJGPSEUAC-QMMMGPOBSA-N 295.261 0.654 0 50 CCAA Cn1cnnc1C1CCN(CC[C@@H]2COCCO2)CC1 1775982113 HYZBRUNAGUSILF-CYBMUJFWSA-N 280.372 0.800 0 50 CCAA Cc1nnsc1C(=O)N(C1CC1)[C@@H](C)C(=O)O 262490927 GDYTYGBOYHNWGC-LURJTMIESA-N 255.299 0.924 0 50 CCAA O=C(NCCc1cnn[nH]1)[C@@H]1COc2ccccc2C1 426496847 HRTSRNGGFVPNFV-NSHDSACASA-N 272.308 0.715 0 50 CCAA C[C@@]1(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)CCOC1 332771507 SOWOWNRGSJPPFX-RNCFNFMXSA-N 264.329 0.452 0 50 CCAA O=C1NC(=O)[C@@]2(CCCN(CCc3ccns3)C2)N1 1335968561 UQTGHVCMTDXNRG-LBPRGKRZSA-N 280.353 0.360 0 50 CCAA CC1(C)[C@@H](CN)C[C@H]1NC(=O)c1cccn2c(O)nnc12 2325854652 OJQQRWVBVFUDLK-PSASIEDQSA-N 289.339 0.538 0 50 CCAA C=CC(=O)NCCNC(=O)c1ncc2n1CCCC2 865643327 LETATZFOSQQECG-UHFFFAOYSA-N 262.313 0.251 0 50 CCAA Cc1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1C 455076 PZWYQCDULHHJOT-UHFFFAOYSA-N 289.291 0.698 0 50 CCAA CC(C)(CO)NC(=O)[C@@H]1CC(c2ccccc2O)=NO1 815008 FVROZRKDRWOAPE-LBPRGKRZSA-N 278.308 0.772 0 50 CCAA Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)no1 4750052 IBNYNGINIDLAKI-UHFFFAOYSA-N 295.320 0.560 0 50 CCAA CC(C)(C)NC(=O)CSc1nc(O)cc(O)n1 8685817 GMQDWNPSQJHMKG-UHFFFAOYSA-N 257.315 0.895 0 50 CCAA COCCNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10330225 YAYHMSGWQVVBOK-UHFFFAOYSA-N 286.353 0.743 0 50 CCAA COc1cccc(CCCN2C[C@@H](O)C[C@H]2C(N)=O)c1 252477304 LRRWUOCCPKTEIU-JSGCOSHPSA-N 278.352 0.548 0 50 CCAA C=CC(=O)N1CCN(c2cncc3nc(C)nn23)CC1 328597606 HZGHBRDMFLKDEW-UHFFFAOYSA-N 272.312 0.267 0 50 CCAA COC[C@@H](C)C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 328644349 ZDJBEDOGVJQKIO-VXGBXAGGSA-N 280.372 0.518 0 50 CCAA CC(C)n1cc(NC(=O)CCS(C)(=O)=O)cn1 66387999 YVCRCTFOOLNQGJ-UHFFFAOYSA-N 259.331 0.837 0 50 CCAA CN1CCC[C@H]1C(=O)N1CCC[C@H]1Cn1cccn1 257365629 BDCQWHFLPYGNGG-STQMWFEESA-N 262.357 0.968 0 50 CCAA Cc1cc(CNC(=O)c2nc(N)nc3c2CCCC3)n[nH]1 219296892 KFPLAMNHZSQQOX-UHFFFAOYSA-N 286.339 0.899 0 50 CCAA CCCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1 132178314 ALZCMSODPXXBAZ-QWHCGFSZSA-N 281.400 0.893 0 50 CCAA CCCn1ncc(CN2CC[C@@](O)(CO)C2)c1C 215877065 SYJDAJZEEKKNTJ-ZDUSSCGKSA-N 253.346 0.531 0 50 CCAA CCN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2N)C1 128614342 CMDSWENGHQWAMW-UTUOFQBUSA-N 255.362 0.093 0 50 CCAA CC(C)n1cc(CNC(=O)CNC(=O)N(C)C)cn1 223773786 AALPMZOOBSCMKK-UHFFFAOYSA-N 267.333 0.351 0 50 CCAA CC(=O)NC(C)(C)C(=O)N[C@H]1CN(C(C)=O)C[C@@H]1C(C)C 91494030 LCHXDYOALDZAAZ-OLZOCXBDSA-N 297.399 0.520 0 50 CCAA CNCC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 237189546 WJBOFRLHLMEWSQ-FRRDWIJNSA-N 269.389 0.306 0 50 CCAA COc1ccc(C(=O)NCc2cc[nH]n2)cc1OCCN 426726753 KBHQDIKSKFLRQH-UHFFFAOYSA-N 290.323 0.686 0 50 CCAA CCN1C(=O)[C@H]2[C@@H]3[C@H]4C[C@H]2[C@@H](O)[C@H]4O[C@]31C(C)C 238900860 KLDJVKPOYBMPEF-SUVZSCMISA-N 251.326 0.843 0 50 CCAA CCn1nnc(C)c1C(=O)N1CCC(C)(CO)CC1 622512269 BPPHWAWBFYROQA-UHFFFAOYSA-N 266.345 0.841 0 50 CCAA CS(=O)(=O)N1CCCN(CCCc2cccnc2)CC1 252509131 YCWJJIWDJWWANV-UHFFFAOYSA-N 297.424 0.982 0 50 CCAA COc1c[nH]c(C(=O)NCCCn2ccnc2)cc1=O 524734131 ZZRUZGJHLUVANN-UHFFFAOYSA-N 276.296 0.400 0 50 CCAA Cn1ncc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1=O 601014565 XDTHGJGAZUSQGB-UHFFFAOYSA-N 294.355 0.837 0 50 CCAA COc1ccc(OC)c(C=c2sc3ncnn3c2=O)c1 254566240 ICIUFIALYVSQMQ-UHFFFAOYSA-N 289.316 0.716 0 50 CCAA COC(=O)Nc1cc(C2=N[C@@H](C(=O)OC)CO2)ccn1 601014328 DQFOSFIQQXGBNE-MRVPVSSYSA-N 279.252 0.578 0 50 CCAA Cc1noc(NC(=O)c2n[nH]c(-n3cnnc3)n2)c1C 1940193454 PBPSMEWJRVKSCM-UHFFFAOYSA-N 274.244 0.243 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)Cc1c(C)n[nH]c1C 291359567 YNAUTGTZSMIJMV-QWRGUYRKSA-N 253.302 0.099 0 50 CCAA CC(C)CN1CC[C@H](CN(C)C(=O)c2cnn[nH]2)C1 299788264 TXYRROOEUPCQTE-LLVKDONJSA-N 265.361 0.855 0 50 CCAA CCOC(=O)/N=c1/snnc2c(C(=O)OCC)ncn12 575443061 OAJKOIXYNADTRG-FMIVXFBMSA-N 297.296 0.420 0 50 CCAA O=C(N[C@H]1COCC[C@@H]1O)c1cnc(O)c2ccccc12 1151159264 COVVOSXFBUWJJS-STQMWFEESA-N 288.303 0.820 0 50 CCAA O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@H]1CNCCO1 165709689 ZYOOBMOQCGEKLY-CYBMUJFWSA-N 290.298 0.938 0 50 CCAA O=C(Cc1cccc(F)c1)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1549229324 KREZOPUETLTFOH-NHYWBVRUSA-N 293.294 0.928 0 50 CCAA O=C([C@@H]1CC[C@H]2COCC[C@H]2C1)N1C[C@H](O)CO1 1875341998 SHMBMZVZSUFSSO-USZNOCQGSA-N 255.314 0.574 0 50 CCAA CNC[C@@H](O)[C@@H](C)C(=O)N(C)CCOc1ccccc1F 952883517 MXBQSRUYMBQXSD-DGCLKSJQSA-N 298.358 0.879 0 50 CCAA CCNC(=O)c1cccc(NC(=O)[C@@H](N)[C@@H](C)O)c1C 952965393 GYQRQLMYOCWTTM-SKDRFNHKSA-N 279.340 0.391 0 50 CCAA CC1(CNC(=O)[C@H]2CCCN(CC(N)=O)C2)CCCC1 952967698 KUIGLUXSJXVZEU-LBPRGKRZSA-N 281.400 0.880 0 50 CCAA C[C@H](Cn1cncn1)C(=O)NCc1ccc(CO)cc1 952974260 WHDUGTZCOLBYBA-LLVKDONJSA-N 274.324 0.723 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cccn(C)c2=O)[C@H]2CCO[C@H]21 1565512075 TZWMNMXIDKMUSE-LPTSXCQYSA-N 292.335 0.165 0 50 CCAA CO[C@H]1CN(C(=O)c2nc[nH]c3nccc2-3)[C@@](C)(CO)C1 634075023 RGBYKLPPDXGSEK-YMTOWFKASA-N 290.323 0.521 0 50 CCAA CCCCCOCC(=O)N(C)[C@H](C(=O)OC)[C@H](C)O 585089923 NUXGVAQBFCAYEY-JQWIXIFHSA-N 275.345 0.574 0 50 CCAA C[C@@H]1C[C@@H](C)CN(C(=O)c2nc(O)nc(O)c2N)C1 408236692 QBWQPHHEORMMFF-RNFRBKRXSA-N 266.301 0.588 0 50 CCAA CC(C)[C@@](C)(O)C(=O)N[C@H]1CCCS(=O)(=O)C1 408301278 QVHXFYLTMKJXIZ-GXSJLCMTSA-N 263.359 0.087 0 50 CCAA O=C(N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1)C1(O)CCOCC1 408318848 KEENGVGQQBUFQK-DDHJBXDOSA-N 267.325 0.164 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccon2)C1 644118572 PCXKQKNJLOHJQV-SCZZXKLOSA-N 262.269 1.000 0 50 CCAA CC(C)(C(=O)O)n1ccc(NC(=O)[C@@H]2CCOC2)n1 659203750 ICTAOEGOZLNJGK-MRVPVSSYSA-N 267.285 0.678 0 50 CCAA CN1CCN(C)[C@@H](CNc2cccc(C(=O)N(C)C)n2)C1 1506412792 FCSUJUUZPATPPJ-LBPRGKRZSA-N 291.399 0.441 0 50 CCAA O=C(N1CCO[C@H](CO)[C@H]1c1ccccc1)C1(CO)CC1 1529117831 AFVKEHPJZHFDIT-ZIAGYGMSSA-N 291.347 0.720 0 50 CCAA CCN(CCN1CCOCC1)c1ncc(F)c(N(C)C)n1 1529098539 HSMDFCKZBPBCCM-UHFFFAOYSA-N 297.378 0.840 0 50 CCAA CO[C@H](C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 408423146 OAEFWCMFGURBEB-SECBINFHSA-N 290.385 0.094 0 50 CCAA Cc1nc(=NC(=O)c2ccnn2CC(F)F)[nH]n1C 330665341 GYZVUJFSXKQEIR-UHFFFAOYSA-N 270.243 0.259 0 50 CCAA CCC[C@H]1C(=O)NCCN1c1nc(C)cc(OC)n1 677959967 WKTLAOBQDBVIEC-JTQLQIEISA-N 264.329 0.899 0 50 CCAA CCN1CCOC[C@H]1C(=O)NCCC1(O)CCC1 368606339 VKNUMANMVBKDAF-NSHDSACASA-N 256.346 0.128 0 50 CCAA COc1ccc(CC(=O)NCc2nc(=O)o[nH]2)c(C)c1 1614999012 MHPCFEAULJDRJW-UHFFFAOYSA-N 277.280 0.539 0 50 CCAA Cc1ncn(CCNc2nc(N)[nH]c3ncnc2-3)c1C 1529167942 RXAPMDBQXRDFLC-UHFFFAOYSA-N 272.316 0.812 0 50 CCAA O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)n2ncnc2N1 13121938 ISSOIMRIVCOSBQ-SECBINFHSA-N 275.243 0.880 0 50 CCAA CN1CC(=O)N2CCN(CC3CCCCC3)C[C@@H]2C1=O 14540230 PBSKGNLMBSNXDK-CYBMUJFWSA-N 279.384 0.552 0 50 CCAA O=C(C1CCC1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857687448 RJJOZSHFZHVOEO-SMDDNHRTSA-N 266.341 0.276 0 50 CCAA C[C@]1(CNC(=O)c2cnnn2C2CCNCC2)CC1(F)F 662667232 SPPABRILYDWSNH-GFCCVEGCSA-N 299.325 0.978 0 50 CCAA Cc1cc(N2CCO[C@@H](CN(C)CC(=N)O)C2)ncn1 328630189 JDELPUSUWOOOAD-NSHDSACASA-N 279.344 0.457 0 50 CCAA CCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O 9708622 WSAVXKGYDVDYKZ-UHFFFAOYSA-N 262.269 0.578 0 50 CCAA CC[C@@H]1C(=O)NCCN1Cc1csc(CN(C)C)n1 585117803 XHBZPFYKCCTAOH-LLVKDONJSA-N 282.413 0.915 0 50 CCAA C[C@H](NC(=O)c1cccnc1)[C@H](C)N1CCOCC1 264299270 RIPCZYJMDXRWFO-RYUDHWBXSA-N 263.341 0.921 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](CN)CC(C)C 111372924 RYVUAZUXEOECIC-NSHDSACASA-N 288.417 0.689 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)Cc1cccc(Cl)c1 211304565 HULJIRPVJCSRKZ-VXGBXAGGSA-N 268.744 0.986 0 50 CCAA CCN1C[C@H]2C[C@@H]1CN2C(=O)N[C@@H]1CCC(=O)N[C@@H]1C 2325768464 HDHHFCGGVYVWEG-DDHJBXDOSA-N 280.372 0.142 0 50 CCAA CCOC(=O)CC(=O)CN1C(=O)c2ccccc2C1=O 81941 CWDUXGINCDZFAQ-UHFFFAOYSA-N 275.260 0.805 0 50 CCAA O=C(CN1CCOCC1)Nc1cccc(C(=O)O)c1 790631 IWKYZVAJVHQZDJ-UHFFFAOYSA-N 264.281 0.656 0 50 CCAA OC1CN(C2CCN(c3ncc(Cl)cn3)CC2)C1 2356158550 OPBZYYYAYUGZMW-UHFFFAOYSA-N 268.748 0.775 0 50 CCAA CN(C)c1ccc(NC(=O)C[C@H]2NCCNC2=O)cc1 4058318 ANMRNOVAOGDAQN-GFCCVEGCSA-N 276.340 0.169 0 50 CCAA O=C(Cn1nnc2ccccc2c1=O)Nc1ccncc1 9157857 VEMYLQNGAJUUQP-UHFFFAOYSA-N 281.275 0.825 0 50 CCAA O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)NC1CC1 102133113 NJUAPHDAYSTOMW-VWYCJHECSA-N 251.330 0.054 0 50 CCAA CC1(C)CNC(=O)CN1C(=O)[C@@H]1COc2ccccc2O1 282750791 SMSYZEHQDUPJCK-LBPRGKRZSA-N 290.319 0.563 0 50 CCAA O=C(O)c1cc2c(nc1N1CC[C@H](CO)[C@H](O)C1)CCC2 72173872 DBLRBFNUANUBQO-ZWNOBZJWSA-N 292.335 0.448 0 50 CCAA CN(CC(=N)O)C[C@H]1CN(CC2CCOCC2)CCO1 328630519 JKQZURGVGOAFTA-ZDUSSCGKSA-N 285.388 0.581 0 50 CCAA CN(C)C(=O)CCNC(=O)N[C@H](CO)c1ccccc1 123112050 UIXYWEIIKZTTFV-GFCCVEGCSA-N 279.340 0.498 0 50 CCAA CN1CCC(N2CCN(C(=O)c3cn[nH]c3)CC2)CC1 216067989 KHFZFUONXDPMTL-UHFFFAOYSA-N 277.372 0.262 0 50 CCAA O=C1C[C@H](CN=c2[nH]nc(C3CC3)o2)CN1C1CC1 329218066 RGVYRLMSHSVPRU-MRVPVSSYSA-N 262.313 0.792 0 50 CCAA CCN1CC[C@H]2OCCN(C(=O)c3ccncn3)[C@H]2C1 329552534 PPVSFEJMTYAVSP-QWHCGFSZSA-N 276.340 0.412 0 50 CCAA CCONC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C 124499148 WTYKZNQNGZKKMR-LBPRGKRZSA-N 293.302 0.972 0 50 CCAA O=C1N=C(O)C[C@@H]1N1C(=O)c2ccccc2S1(=O)=O 71772858 IPWYVUZSJZZNLV-ZETCQYMHSA-N 280.261 0.087 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2cnn3c2CCCC3)C[C@H]1O 72475368 PUCZUZAIWMNRRS-UKRRQHHQSA-N 293.367 0.567 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCCc2cccc(C)n2)N(C)C1 330585526 WGDBQENCUNOYCN-KBPBESRZSA-N 277.368 0.768 0 50 CCAA CC(C)N1CCN([C@@H]2CCN(C(=O)C(C)(C)O)C2)CC1 365265987 NBHMNIKSTFXWHF-CYBMUJFWSA-N 283.416 0.384 0 50 CCAA O=C1CC[C@H](C(=O)N2CC(Cc3ccccc3)C2)N1 368046960 PEBOJTSSLAWKJV-CYBMUJFWSA-N 258.321 0.966 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2cnn(CC(C)C)c2)C1 284495888 GQPOVTRKGWNNAU-STQMWFEESA-N 280.372 0.614 0 50 CCAA CNC[C@H](C)C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 237303185 QEOSQRXJRCNCMZ-SMDDNHRTSA-N 280.372 0.350 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CCc2ccsc2)CCO1 237965816 AORQZZCZDQNUQG-SNVBAGLBSA-N 269.322 0.993 0 50 CCAA CCCc1cc(=O)n2nc(NCC(=O)NCC)sc2n1 130854559 IBEZLHFPTBNACL-UHFFFAOYSA-N 295.368 0.652 0 50 CCAA COC(=O)[C@H](NC(=O)[C@@H](N)CC(F)F)C(C)C 336721943 SOQGJAPSTSHMBN-POYBYMJQSA-N 252.261 0.283 0 50 CCAA O=C(NC[C@H]1CCCOC1)c1nc2ncccn2n1 216111318 QQOMZCHIVAECBG-SECBINFHSA-N 261.285 0.281 0 50 CCAA C[C@H](CCO)N1CCCN(C)C2(CCNCC2)C1 426522852 IDNNUIQAUWLKDH-CYBMUJFWSA-N 255.406 0.517 0 50 CCAA Cc1ccc(NCCCNC(=O)CCn2cnnn2)nc1 222562345 XDNDYYPVCGRBPX-UHFFFAOYSA-N 289.343 0.385 0 50 CCAA Cc1nn(C)c2nc(N3C[C@@H](CO)[C@H](CO)C3)sc12 96162026 CZIRGOLIPSOALI-IUCAKERBSA-N 282.369 0.375 0 50 CCAA N[C@@H]1CN(Cc2coc3ccccc3c2=O)C[C@H]1O 426555754 ANQQPGTZQNMELY-VXGBXAGGSA-N 260.293 0.297 0 50 CCAA c1ccn2c(Cn3cc([C@H]4CCOC4)nn3)nnc2c1 95353434 GDJCUTOOYSIVAP-JTQLQIEISA-N 270.296 0.873 0 50 CCAA Cc1nnsc1CN1C[C@H](C(C)C)[C@@H](NC(=O)CO)C1 91974181 XOBZPHSJASRKTH-MNOVXSKESA-N 298.412 0.411 0 50 CCAA Cc1ncccc1C(=O)N(CCN(C)C)CC(=O)O 230736848 ICCZGLVNZVUUJA-UHFFFAOYSA-N 265.313 0.478 0 50 CCAA CNCCCCNC(=O)CCn1c(C)cccc1=O 97696142 TYWOEOMIABWDGH-UHFFFAOYSA-N 265.357 0.663 0 50 CCAA C[C@@]1(O)CCN(CCC(=O)NCc2ccco2)C[C@@H]1O 97475616 OWCYDGDCJGTLQM-GXTWGEPZSA-N 282.340 0.104 0 50 CCAA Cc1cc(C)n(CCC(=O)NCCCn2cnnc2)n1 244723769 MHCIGKFXWAMMQA-UHFFFAOYSA-N 276.344 0.688 0 50 CCAA CCC[C@H](C)N1C[C@H](C(=O)NCCC(=O)O)CC1=O 299751101 PMJINQSMDXEKBF-VHSXEESVSA-N 270.329 0.614 0 50 CCAA CC(C)C(=O)N1CCC[C@@H](NC(=O)c2cncc(=O)[nH]2)C1 534577640 BQEWROTVYQDARV-SNVBAGLBSA-N 292.339 0.147 0 50 CCAA Cc1ccccc1[C@H](CNC(=O)C1(C(N)=O)CC1)N(C)C 534632599 NVYSKXZPKFOBEB-ZDUSSCGKSA-N 289.379 0.979 0 50 CCAA O=C(c1nc[nH]n1)N1CCC[C@H](C(=O)N2CCCC2)C1 543760960 QYVIXWIXYLMWDX-JTQLQIEISA-N 277.328 0.279 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)COCc1ccccc1 290378212 JPVTYZIKXZDGKQ-STQMWFEESA-N 265.309 0.733 0 50 CCAA Cn1ccnc1CN(CCO)C(=O)Nc1cncc(F)c1 299775504 KCKFPEQWGGYELF-UHFFFAOYSA-N 293.302 0.981 0 50 CCAA Cc1nc(-c2cccc(C(=O)NC[C@H](O)CO)c2)c[nH]1 299794678 LOMNVLOQLAZRGX-LBPRGKRZSA-N 275.308 0.468 0 50 CCAA C[C@H](CCC(=O)NCC(=O)N(C)C)N1CCCC1 821746067 RIDQWPSNZKPKAS-LLVKDONJSA-N 255.362 0.455 0 50 CCAA CN(C)S(=O)(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 670439151 NXOAMBBUKNQVFM-JTQLQIEISA-N 289.401 0.174 0 50 CCAA Cc1nc(C)c(CC(=O)N2CCN3C(=O)OC[C@H]3C2)s1 670462507 GABBKBOJNCENEX-SNVBAGLBSA-N 295.364 0.965 0 50 CCAA NC(=O)c1cn(C[C@@H](O)Cc2ccc(F)cc2)nn1 1875282067 LNLURYNCEHVSIR-JTQLQIEISA-N 264.260 0.120 0 50 CCAA CCS(=O)(=O)c1ccc(CN2C(=O)CCNC2=O)cc1 1875278770 DDAQBGOPPVJJSJ-UHFFFAOYSA-N 296.348 0.922 0 50 CCAA NCC12CCC(NC(=O)c3cccc[n+]3[O-])(CC1)CO2 1875292699 QCKALOKITIBSNO-UHFFFAOYSA-N 277.324 0.090 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(F)c(O)c2F)C[C@H](CO)O1 1875293625 WYEJDGCWXNLIBG-JGVFFNPUSA-N 287.262 0.892 0 50 CCAA C[C@]1(C(=O)N[C@@H]2CC(=O)NC2=O)CCc2ccccc2C1 1875396601 ODLNBRZJADXZIX-WBMJQRKESA-N 286.331 0.713 0 50 CCAA CN(CCO)C(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 888075927 ADXNDXLJCHZADH-MNOVXSKESA-N 253.302 0.328 0 50 CCAA COc1nnc(CN(C)[C@@]2(CO)CCOC2)s1 1335749931 WOCWAMVQFLUJSU-SNVBAGLBSA-N 259.331 0.130 0 50 CCAA O=C(O)[C@H]1CC[C@@H](C(=O)NCCCn2ccccc2=O)C1 1565513950 DJRAIPMZLIDWES-NEPJUHHUSA-N 292.335 0.856 0 50 CCAA CN(C)c1ccc(CC(=O)N2CC[C@](C)(O)[C@H](O)C2)cc1 1565509243 KTWVIHQFGFUALJ-ZBFHGGJFSA-N 292.379 0.639 0 50 CCAA CS(=O)(=O)CC1(Cn2nnc(-c3ccco3)n2)CC1 579697228 XGBKHNDJWJYSQK-UHFFFAOYSA-N 282.325 0.758 0 50 CCAA NS(=O)(=O)N1CC[C@]2(C1)OCc1ccccc12 185924035 VEICYFFBCQTMDG-LLVKDONJSA-N 254.311 0.321 0 50 CCAA Cc1onc(N)c1S(=O)(=O)N(C)Cc1ccco1 281203551 POAFWRPUFFUAIY-UHFFFAOYSA-N 271.298 0.979 0 50 CCAA C[C@H]1NC(=O)CC[C@H]1NC(=O)COc1cccnc1 282188113 NRKYBYAFZYEISH-MWLCHTKSSA-N 263.297 0.244 0 50 CCAA Cc1sc(C(N)=O)cc1NC(=O)[C@@H]1CN(C)CCO1 676184254 OXHWVSLPQJKQNI-VIFPVBQESA-N 283.353 0.425 0 50 CCAA CCC(=O)N1CCCC[C@@H]1C(=O)N1CC(=O)N(C)[C@H](C)C1 225741717 SPTLCJANIBVENR-VXGBXAGGSA-N 295.383 0.467 0 50 CCAA COc1cccc([C@H]2CN(Cc3nnn(C)n3)CCO2)c1 194448454 MMXJSRGYEZDBTI-CYBMUJFWSA-N 289.339 0.792 0 50 CCAA NC1(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)CC1 213344025 RQNSMQIDJCUAJO-NEPJUHHUSA-N 292.310 0.944 0 50 CCAA CCC[C@]1(C(=O)O)CCN(Cc2ccnn2C)C[C@H]1O 1704304654 HTQQNQQWELIJRI-OCCSQVGLSA-N 281.356 0.858 0 50 CCAA COC(=O)[C@](C)(O)CON1C(=O)c2ccccc2C1=O 307404263 CEGWZOZDZYAQDD-CYBMUJFWSA-N 279.248 0.138 0 50 CCAA Cc1onc(N)c1S(=O)(=O)N1CCCSC1 1614972584 OLPVOSJODNVBDY-UHFFFAOYSA-N 263.344 0.650 0 50 CCAA Cc1noc([C@@H](NC(=O)c2cn(CCN)nn2)C(C)C)n1 1615549640 JNGCFCCKVUAZQP-JTQLQIEISA-N 293.331 0.055 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCN[C@@H](C)C2)cc1 34436261 KVFXTJXVCJULLQ-NSHDSACASA-N 254.355 0.977 0 50 CCAA in-vitro OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)C[C@@H]1O 17163863 PGEULCIODBNODW-RRKCRQDMSA-N 270.676 0.120 0 50 CCAA O=C(CO)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857698090 XAWUAWMLYAAWTO-UHFFFAOYSA-N 271.320 0.996 0 50 CCAA N[C@@H]1CC[C@H](C(=O)NCCc2ccncc2)C[C@H]1O 1857730427 PWTQGHUMJOBCKI-YNEHKIRRSA-N 263.341 0.229 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccncc1O 408520857 XSCJPEYVITXDKH-NSHDSACASA-N 277.324 0.774 0 50 CCAA CCCn1c(C)cn2c3c(=O)n(CC)c(=O)n(C)c3nc12 4250953 WBNLGJXNVQIRCS-UHFFFAOYSA-N 289.339 0.888 0 50 CCAA CC[C@@H](C)n1[nH]c(=NC(=O)N[C@@]2(CO)CCOC2)cc1C 334046040 LYWCICPAKQOVEF-QMTHXVAHSA-N 296.371 0.857 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CCOC[C@H]2C2CC2)n1 824707276 GLUXWWQWFBHHLU-ZDUSSCGKSA-N 293.371 0.927 0 50 CCAA C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C(=O)O)cc1 228815998 ZFSJJQLXMVGEMQ-SECBINFHSA-N 297.332 0.644 0 50 CCAA CC(C)[C@H](N)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 236722268 FUDLRCZMXQGOHT-KBPBESRZSA-N 283.416 0.541 0 50 CCAA Cc1n[nH]cc1NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 239425757 VFEPIDIOIQLIGC-ZYUZMQFOSA-N 265.269 0.535 0 50 CCAA Cc1cnn(C[C@@H]2CN(C[C@H](O)C(F)(F)F)CCO2)c1 181692086 FZTAAIZCGYBDNQ-QWRGUYRKSA-N 293.289 0.816 0 50 CCAA O=C1C[C@@H](C(=O)Nc2cccc(F)c2)n2ncnc2N1 13132378 DRVQDMGVFQLRRH-VIFPVBQESA-N 275.243 0.939 0 50 CCAA C[C@H](NC(=O)[C@]12CNC[C@@]1(F)CCOC2)c1ccon1 2325792115 BAJOKSPVEMLEQL-BIMULSAOSA-N 283.303 0.570 0 50 CCAA O=c1[nH]nc(SCc2ccc(F)cc2)c(=O)[nH]1 138700 FEKXUFWGMBJBMN-UHFFFAOYSA-N 253.258 0.890 0 50 CCAA COC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC 2244037 LLPQAUJOSNFUSU-UHFFFAOYSA-N 275.282 0.138 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H]1C(=O)O 117603272 DYMWLRVGPQDELA-RNFRBKRXSA-N 259.258 0.781 0 50 CCAA CC(C)[C@@H](CO)NC(=O)c1cc(CN2CCOCC2)on1 67851334 AVJILCIXCQACRM-CYBMUJFWSA-N 297.355 0.254 0 50 CCAA CCS(=O)(=O)c1ccc(C(=O)O[C@H]2CNOC2)cc1 328592081 WPECFQNCMYRIIE-JTQLQIEISA-N 285.321 0.540 0 50 CCAA CCOC(=O)CCN1CCN(C(=O)c2ccccn2)CC1 173193836 WVZWIRUEWNSGFQ-UHFFFAOYSA-N 291.351 0.793 0 50 CCAA COC[C@]1(O)CCN(CCN2CCCC2=O)CC1(C)C 219610739 WUQTUTCLEVIZFD-OAHLLOKOSA-N 284.400 0.718 0 50 CCAA C[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@@H](C)N1 153560799 UXQAREXGBXBHKC-VXGBXAGGSA-N 250.346 0.872 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCCC[C@H]1CN 237717514 WVTSNHVISSFOAQ-LBPRGKRZSA-N 280.372 0.756 0 50 CCAA Cc1cc(CN2CCN(C(=O)[C@H]3CC[C@@H](N)C3)CC2)no1 237729315 BQCGSEXPFZOBIO-QWHCGFSZSA-N 292.383 0.755 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@@H]2COc3ccccc3C2)n1 215421133 YAYKDBMOPBQESO-LBPRGKRZSA-N 286.335 0.894 0 50 CCAA CC[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(C)=O)C1 336043982 SOWMTKQLRRLLEX-RYUDHWBXSA-N 254.330 0.539 0 50 CCAA CN(C[C@@H]1CCCOC1)c1cncc(OCCO)n1 132584302 MLMAXHSBOUZYGP-NSHDSACASA-N 267.329 0.711 0 50 CCAA CCCN(C)S(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1O 245687570 VIHKRPIACQZIEC-CHWSQXEVSA-N 284.381 0.821 0 50 CCAA CC(C)N1C[C@@H](C(=O)NCCc2cccnc2)CC1=O 48448530 VGFBGJRWZNDNMN-ZDUSSCGKSA-N 275.352 0.997 0 50 CCAA CC(C)N1CCC[C@@H](N2CCS(=O)(=O)CC2)C1=O 177703903 HARRVBXRLPYQMW-LLVKDONJSA-N 274.386 0.116 0 50 CCAA CCn1nncc1CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 530197414 NNKYSPRRJQCUJF-ZDUSSCGKSA-N 299.334 0.961 0 50 CCAA Cc1cc(=O)cc(C(=O)NCC2(CO)CCCC2)[nH]1 426555506 KQEJBFSZYOHJCV-UHFFFAOYSA-N 264.325 0.966 0 50 CCAA CCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 91745911 NGPCHEWDMCUTBC-LBPRGKRZSA-N 257.334 0.056 0 50 CCAA C[C@H](C(=O)NCCc1noc(CO)n1)N1CCCCC1 426380383 KRQQTYFUVRJBSU-SNVBAGLBSA-N 282.344 0.095 0 50 CCAA CN(C)c1nc(N[C@@H]2C=CS(=O)(=O)C2)ncc1F 95356167 GKPUUUFQEJBLST-SSDOTTSWSA-N 272.305 0.404 0 50 CCAA CN(C)c1cccc(C(=O)N2CC[C@](C)(O)[C@@H](O)C2)c1 96138519 HLVJKYWMGFPACJ-ZFWWWQNUSA-N 278.352 0.710 0 50 CCAA CC(C)=CC(=O)N1CC[C@]2(CCCN(CCO)C2=O)C1 92077307 DLAYFZKHRLOEGO-OAHLLOKOSA-N 280.368 0.786 0 50 CCAA CCNC(=O)[C@@H](C)NC(=O)Nc1cncc(F)c1 97295126 XDHKLIXUZMSFJT-SSDOTTSWSA-N 254.265 0.867 0 50 CCAA COCCc1nc(C2CCN(C(=O)N(C)C)CC2)n(C)n1 95507415 TUKLGYDVACPKDX-UHFFFAOYSA-N 295.387 0.865 0 50 CCAA CCc1noc(C)c1C(=O)N(CCO)Cc1nccn1C 97716811 KRMYCGBFRYXZMG-UHFFFAOYSA-N 292.339 0.914 0 50 CCAA O=C(O)[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1 92022661 GJEFSMUEPUNISL-SNVBAGLBSA-N 288.369 0.007 0 50 CCAA O=C(Cn1nccn1)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 244594270 DJRKDGUWRQKJDI-JTNHKYCSSA-N 287.323 0.302 0 50 CCAA CCC(=O)N1CCC(NC(=O)c2cnc(N)s2)CC1 534641760 GEJCJJRGJXVSIY-UHFFFAOYSA-N 282.369 0.856 0 50 CCAA O[C@@H]1CN(C2CCOCC2)CC[C@H]1Nc1ncccn1 299788368 URHXKGGXVHCSLO-CHWSQXEVSA-N 278.356 0.503 0 50 CCAA Cc1cc(C(=O)N2CCC3(CC2)CNC(=O)O3)cc(O)n1 584887250 FCYDDJYLSUZJJC-UHFFFAOYSA-N 291.307 0.810 0 50 CCAA CC(=O)N[C@@H]1[C@@H](NC(=O)c2cc(C)no2)[C@H]2CCO[C@H]21 820585303 XMQYVLVIMGXBJC-SASUGWTJSA-N 279.296 0.005 0 50 CCAA CC[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc(C(=O)O)n1C 1605152334 UCKZYUXPASBIMF-NXEZZACHSA-N 280.324 0.956 0 50 CCAA CO[C@H]1CN(Cc2ccc(CC(=O)O)cc2)C[C@@H]1O 670459841 UQSJXDVZRFCAFS-STQMWFEESA-N 265.309 0.505 0 50 CCAA CCn1nc(C)cc1C(=O)NCC1(C(=O)O)CCOCC1 165924090 LLRDCGRMJRISJE-UHFFFAOYSA-N 295.339 0.823 0 50 CCAA COC(=O)[C@H]1CCN(C(=O)N(C)c2ncccc2F)O1 1875378748 DFHFESNSUJWPCR-SECBINFHSA-N 283.259 0.956 0 50 CCAA Cn1nnc(COC(=O)C23CCC(O)(CC2)CC3)n1 1875322771 HFWPVOBQPOYISY-UHFFFAOYSA-N 266.301 0.339 0 50 CCAA Cc1nnc2n1C[C@H](CN(C)C)N(C(=O)COC(C)C)C2 952848332 FIXXCBNHKBLPFU-LBPRGKRZSA-N 295.387 0.284 0 50 CCAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccoc2C2CC2)C1 885296970 SQTZRMFTLYHEPZ-VIFPVBQESA-N 298.364 0.908 0 50 CCAA Cc1ccc(CC(=O)N2CC[C@H](CS(N)(=O)=O)C2)cn1 885302780 CKAFIXOJQXAUOL-LBPRGKRZSA-N 297.380 0.070 0 50 CCAA CC(C)C[C@@H]1CN(C)CCN1C(=O)CN1CCOCC1=O 886597427 DNPXTICHISHFMA-CYBMUJFWSA-N 297.399 0.034 0 50 CCAA O=C1CN(Cc2cn(-c3c(F)cccc3F)nn2)CCN1 899733059 ODEBGSWTWQQKOO-UHFFFAOYSA-N 293.277 0.477 0 50 CCAA O=C(CN1C[C@H](O)CC(F)(F)C1)Nc1cccnn1 1774357237 IXLUSCAFUFLNTL-MRVPVSSYSA-N 272.255 0.117 0 50 CCAA CN1CCN(C(=O)[C@]23CNC[C@H]2CCOC3)CC1(C)C 1775961315 PVJMDXOTQOBPOL-DOMZBBRYSA-N 281.400 0.165 0 50 CCAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1nc[nH]n1 275509829 WRUNMBZKIFOILW-IUCAKERBSA-N 276.300 0.281 0 50 CCAA CN1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)[C@H](CO)C1 585128077 RGGURTBMTJMCQL-XUXIUFHCSA-N 266.385 0.948 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)nc(C)n1 408197331 HVIFNZRXFDLLNJ-XTWCZFFVSA-N 288.351 0.833 0 50 CCAA C[C@@H]1C[C@@H](CN2CCC(S(N)(=O)=O)CC2)CCO1 408358609 GXEUFFIUJIMYRR-MNOVXSKESA-N 276.402 0.554 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2nc(C)ccc2O)C1 643756351 RLFYZXKHJYOSPI-HNNXBMFYSA-N 293.367 0.559 0 50 CCAA C=CC(=O)NCCNC(=O)c1cc(C2CC2)n(C)n1 742072099 SEOARXBISPTZMM-UHFFFAOYSA-N 262.313 0.330 0 50 CCAA N[C@H]1C[C@@H](C(=O)Nc2cnn(-c3ccncc3)c2)C1 649319282 VIBDQWJUBWJCTL-AOOOYVTPSA-N 257.297 0.943 0 50 CCAA CN(C[C@@H]1CCCC[C@H]1O)C(=O)N[C@@H]1CCOC1 195555417 FSYIJGMPCYWSBF-QJPTWQEYSA-N 256.346 0.968 0 50 CCAA COCCSc1nnc(NC(=O)[C@H]2C=CCN2)s1 1529173198 NJBPUCGRKXKLHB-SSDOTTSWSA-N 286.382 0.743 0 50 CCAA CNc1ncccc1C(=O)N1CCOC[C@@H](C(=O)O)C1 1800410792 AWGSHFVTNDQNOW-VIFPVBQESA-N 279.296 0.297 0 50 CCAA CN1CC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 928557686 VMGHYRAOEUILCQ-VIFPVBQESA-N 251.334 0.467 0 50 CCAA CCC(=O)NCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704280541 XFRUVSHMSMCGFS-OLZOCXBDSA-N 291.351 0.282 0 50 CCAA CO[C@@]1(C)C[C@H](NC(=O)[C@H]2CSCN2)C1(C)C 121683747 OWVILKJLRWTDEO-PTRXPTGYSA-N 258.387 0.969 0 50 CCAA CN(CC(F)(F)F)C(=O)CN1CCC[C@@H]1C(=O)O 237131400 XKEWOFFIBIURIT-SSDOTTSWSA-N 268.235 0.556 0 50 CCAA CCc1c(C(=O)N2C[C@@H](N)C3(CCC3)C2)nnn1CC 1615553529 HIOKJXTWCGUFLW-LLVKDONJSA-N 277.372 0.814 0 50 CCAA O=C(CCc1cnccn1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857672615 IDFIOEXFXAVKHO-XBFCOCLRSA-N 291.351 0.408 0 50 CCAA Cc1nnc2n1C[C@H](CNC(=O)CNc1cccnc1)C2 1857678841 SMVIZQAFSJWEIW-NSHDSACASA-N 286.339 0.382 0 50 CCAA N[C@@H]1CC[C@H](C(=O)NC2Cc3ccccc3C2)C[C@H]1O 1857736130 LWUILIQQZJBDCZ-NWANDNLSSA-N 274.364 0.758 0 50 CCAA O=C1CC[C@H](NC(=O)OCc2ccccc2)C(=O)N1 2572561 JJFWWAGUYKLJRN-JTQLQIEISA-N 262.265 0.718 0 50 CCAA in-vitro CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1 2874566 IAUNVJXWUOENAD-ZDUSSCGKSA-N 296.392 0.974 0 50 CCAA O=C(NC[C@@H](O)C1CC1)c1cnn(CC(F)(F)F)c1 252536003 HKXRYXPFJMCCBR-SECBINFHSA-N 277.246 0.946 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@@H]2C1 1875306178 WPWBYJWYZNBWDO-ISUQUUIWSA-N 253.298 0.638 0 50 CCAA CC[C@@H]1C[C@H]1CN1CCN(S(=O)(=O)NC(C)C)CC1 930343887 MPKONZFZKPQVDY-OLZOCXBDSA-N 289.445 0.893 0 50 CCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccco2)C1 299800047 UZGPTSLXBYFYOW-MRVPVSSYSA-N 258.299 0.030 0 50 CCAA O=C(c1cccc2c1CCCC2)N1C[C@H](O)[C@@H](CO)C1 333630350 BEVYUTXPMFWOMM-DOMZBBRYSA-N 275.348 0.991 0 50 CCAA CC(C)[C@@](C)(NCCN1C[C@@H]2CC[C@H](C1)O2)C(N)=O 573422852 NYPXCVRVPMLKBW-MBNYWOFBSA-N 269.389 0.339 0 50 CCAA CN(C)CC1(O)CCN(C(=O)[C@@]2(C)CCCCO2)CC1 584891351 MZPXXOKYMRRMFD-CQSZACIVSA-N 284.400 0.861 0 50 CCAA O=C(N[C@@H]1CNC[C@@H]1O)c1ccc(C(F)(F)F)nc1 699898217 HILTYCHIMCSIPR-SFYZADRCSA-N 275.230 0.163 0 50 CCAA Cc1ccc2c(C(=O)N3C[C@H](O)C[C@@H](O)C3)cnn2c1 2356139418 XJTCYOSYMOLAMS-GHMZBOCLSA-N 275.308 0.210 0 50 CCAA Cc1nnc(CN2C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C2)O4)s1 2356143756 VWRCZRCFCXTIDF-BLFANLJRSA-N 281.381 0.818 0 50 CCAA O=S1(=O)C[C@@H](O)[C@H](Nc2ccccc2Cl)C1 4110791 NAQFNWLMABSPOE-NXEZZACHSA-N 261.730 0.910 0 50 CCAA COc1cc(CNc2ncn[nH]2)ccc1OCC(N)=O 4999786 JEYJOMGCZMLPNA-UHFFFAOYSA-N 277.284 0.290 0 50 CCAA Cc1nccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 172821362 BXGASWKPNLINSD-LBPRGKRZSA-N 276.340 0.613 0 50 CCAA C[C@H](C(N)=O)N(c1cccc(F)c1)S(C)(=O)=O 67601858 VCIKBLLIGFHBIK-SSDOTTSWSA-N 260.290 0.466 0 50 CCAA Cc1noc(C)c1-n1c(-c2ccn(C)n2)n[nH]c1=O 65371726 JELPQIWPDPPWFE-UHFFFAOYSA-N 260.257 0.566 0 50 CCAA O=C(CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)NC1CC1 250876186 UDNDSSWLRFWZMA-JLLWLGSASA-N 266.341 0.983 0 50 CCAA CC(C)[C@@](C)(O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 408364797 NCDIUTQHCCBCTL-SNVBAGLBSA-N 282.262 0.584 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1ccc2c(c1)OCO2 262046146 ZDIGZRQVTGDPAO-YGRLFVJLSA-N 292.335 0.751 0 50 CCAA OC[C@@H]1C[C@@H](O)CN1CCCc1ccc2c(c1)CCO2 366859897 WXMVEXDVWZWTIC-LSDHHAIUSA-N 277.364 0.982 0 50 CCAA c1cn2c(CN3CCO[C@H](Cn4cncn4)C3)cnc2cn1 329166178 HYCDZPBVKKBFQT-ZDUSSCGKSA-N 299.338 0.222 0 50 CCAA C[C@H](CCN1CCN(C)CC1)NS(=O)(=O)CC1CC1 329987115 SJJHUWPKAJJWIK-GFCCVEGCSA-N 289.445 0.342 0 50 CCAA C[C@@H](Cn1cncn1)NC(=O)Cn1nc2ccccc2n1 219834355 FAZSMAVOXCIODV-JTQLQIEISA-N 285.311 0.228 0 50 CCAA O[C@]1(c2c[nH]nn2)CCN(c2nc3ccccc3[nH]2)C1 284652905 VMKDCWAHURZKIA-CYBMUJFWSA-N 270.296 0.779 0 50 CCAA CC(C)N1C(=O)CN(c2nnnn2C)CC1(C)C 525707599 VDYMWCXMCSLRCL-UHFFFAOYSA-N 252.322 0.046 0 50 CCAA C[C@@H]1O[C@H](C)[C@H](C(=O)N2CC3CC2(C(N)=O)C3)[C@@H]1C 529527597 VBSNATBEXJQBEH-DUNJRCBCSA-N 266.341 0.522 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1c(Cl)c(C)nn1C 426491178 ZSBIRBHOHTWXCL-RKDXNWHRSA-N 287.747 0.916 0 50 CCAA C[C@H](CN1CCOCC1)C(=O)NC1(C(=O)O)CCC1 426715823 DYXDAWYOHPWALV-SNVBAGLBSA-N 270.329 0.078 0 50 CCAA O=C(NCCOc1ccccc1)[C@@H]1CNCCO1 43801720 RUUBINFYDAOSCB-LBPRGKRZSA-N 250.298 0.170 0 50 CCAA CC(=O)NCCC(=O)N(C)Cc1noc(C(C)C)n1 223964116 XHHQYXBJNILTTP-UHFFFAOYSA-N 268.317 0.678 0 50 CCAA Nc1nc(-c2ccc(-n3cccn3)cc2)cc(=NCCO)[nH]1 426690500 CJFIGJICSAWSIS-UHFFFAOYSA-N 296.334 0.738 0 50 CCAA COc1nc(N2CC[C@@]3(O)CCNC[C@H]3C2)ncc1F 91644632 DXHONXMFQDQSNF-ZANVPECISA-N 282.319 0.175 0 50 CCAA Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)C1(O)CCC1 619290310 SBWWFAASXSCCBH-WCQYABFASA-N 293.367 0.919 0 50 CCAA Cn1cc(CCC(=O)N2C[C@@H](CO)OC(C)(C)C2)cn1 622723595 JSMQNUIBZKREHB-LBPRGKRZSA-N 281.356 0.351 0 50 CCAA CCc1cc(NCCS(=O)(=O)N(C)C)ncn1 95383163 OACNVVFIWFTOEO-UHFFFAOYSA-N 258.347 0.342 0 50 CCAA Cn1c(SCCC(=O)O)nnc1[C@H]1CCCNC1 426510039 HGGLTEGEMMGBNU-QMMMGPOBSA-N 270.358 0.849 0 50 CCAA O=C(NCC(=O)N1CCCC1)c1cc2ncccn2n1 97480228 NPAHVJLNQFOILA-UHFFFAOYSA-N 273.296 0.082 0 50 CCAA O=C(NCCn1cccc1)[C@@H]1CCS(=O)(=O)C1 330945256 JUYVTLPIUYXMGD-SNVBAGLBSA-N 256.327 0.039 0 50 CCAA CCN(CCO)C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1CO 91781974 CLESFTLCJVIQFA-CHWSQXEVSA-N 284.400 0.168 0 50 CCAA CCCn1cc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cn1 182944398 KNMARWVEGUYRFZ-NSHDSACASA-N 290.323 0.313 0 50 CCAA C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc(C2CC2)no1 534661979 FWTCWIMKRJFVOQ-ZETCQYMHSA-N 297.340 0.720 0 50 CCAA Cn1c(Sc2cc(N)ncn2)nnc1C1CCNCC1 534637065 KAVRETLQDZNFHW-UHFFFAOYSA-N 291.384 0.806 0 50 CCAA CC[C@@H](NC(=O)Cn1ccccc1=O)c1ncnn1C 534589951 AQAOOUSGYLOBJL-SNVBAGLBSA-N 275.312 0.244 0 50 CCAA CC[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ncnn1CC 534588980 HKZDEGUJAJDTBK-SNVBAGLBSA-N 298.372 0.461 0 50 CCAA COCC1(NC(=O)CCS(C)(=O)=O)CCCC1 617193256 FFDUELXJGVFYAA-UHFFFAOYSA-N 263.359 0.497 0 50 CCAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccncc1 299766678 GMLIGBPVHQGTCJ-OLZOCXBDSA-N 262.357 0.508 0 50 CCAA NC(=O)Cc1nc([C@@H]2CCCN3CCCC[C@H]23)n[nH]1 826841813 BCMVFGUPHBNQHC-NXEZZACHSA-N 263.345 0.564 0 50 CCAA CCNc1nc(C)c(-c2n[nH]c(CC(N)=O)n2)s1 823193760 HCVVSTGNJRYQOE-UHFFFAOYSA-N 266.330 0.696 0 50 CCAA Cc1ncn(CCNC(=O)N2CC[C@@H](CO)C2)c1C 670445250 MBBJBOSTKOHUJV-GFCCVEGCSA-N 266.345 0.524 0 50 CCAA CN(CCS(C)(=O)=O)C[C@H]1CC(=O)N(C(C)(C)C)C1 670438593 WESNAYCJJZOKAF-LLVKDONJSA-N 290.429 0.610 0 50 CCAA C[C@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCc2nncn2CC1 1556631390 IDZRGUKHZLRKAJ-AXFHLTTASA-N 264.329 0.212 0 50 CCAA COCCNC(=O)N1CCN(C(=O)c2ccco2)C[C@@H]1C 1875357613 NZWCQJDSUWAXOF-NSHDSACASA-N 295.339 0.782 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC2(CCC2)[C@](F)(CO)C1 1875370453 PAGNVDJKMRERFC-CQSZACIVSA-N 284.331 0.344 0 50 CCAA C[C@H](CC(N)=O)N(C)S(=O)(=O)c1ccc2nc[nH]c2c1 952873912 QMKCDIZSESFZFW-MRVPVSSYSA-N 296.352 0.447 0 50 CCAA COCc1cc(C2CN(C(=O)[C@](C)(O)C3CC3)C2)no1 886084496 BLDWKIJMUNVFTR-CQSZACIVSA-N 280.324 0.908 0 50 CCAA CNc1cc(N2CCC[C@H](n3ccnn3)C2)ncn1 894271732 LLOHIZJQWJFXIT-JTQLQIEISA-N 259.317 0.951 0 50 CCAA CCc1cc(CNC(=O)[C@]23CNC[C@H]2CCOC3)n[nH]1 1775490790 BNPRHFOBNFUUAQ-YGRLFVJLSA-N 278.356 0.214 0 50 CCAA CN1CCC(OCC(=O)N[C@H]2CCNC23CCC3)CC1 1775961166 DNJLKRYRKPMGAC-ZDUSSCGKSA-N 281.400 0.498 0 50 CCAA CCN1CCN(C(=O)c2ccnc3nccnc23)CC1 1776005160 ASNKOFODQBDTOP-UHFFFAOYSA-N 271.324 0.803 0 50 CCAA Cc1ncc(C(=O)N2C[C@@H]3CCC[C@@]3(N)C2)c(N)n1 1344103350 ZUHFZYWHRSZQTM-TVQRCGJNSA-N 261.329 0.321 0 50 CCAA CCCCS(=O)(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N(C)C 1565513502 XGCKZMRQGFGXNI-USZNOCQGSA-N 276.402 0.423 0 50 CCAA CC(C)N1C[C@@H](NCc2cc(C(=O)O)nn2C)[C@H](C)C1 635307262 KLKPXFMVBGDRAQ-ZWNOBZJWSA-N 280.372 0.937 0 50 CCAA COC(=O)[C@H]1[C@@H](O)CCCN1Cc1ncc(C)o1 189609129 XTUSQCARZZWZPB-GXSJLCMTSA-N 254.286 0.481 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(CC2=CCCOC2)C1 643755384 SREGBROLVSLYKR-HNNXBMFYSA-N 282.384 0.638 0 50 CCAA O=C(COCC1CC1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644072060 QSMKBONEQNWIIT-MJBXVCDLSA-N 282.384 0.517 0 50 CCAA COc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)O)C2)cn1 570805562 LEQJMTATUPBLRT-PRHODGIISA-N 298.320 0.185 0 50 CCAA C/C(=C\C(=O)NS(=O)(=O)c1cnccn1)C1CC1 584907912 IGTRGGFRGKJKNB-SOFGYWHQSA-N 267.310 0.638 0 50 CCAA COCc1nc(C)cc(=NCc2cc3n(n2)CCCO3)[nH]1 585092328 PNTKSVZHJAMBAX-UHFFFAOYSA-N 289.339 0.944 0 50 CCAA CCC(CC)C(=O)NCc1cn([C@H]2CCOC2=O)nn1 585138870 OXPFZJXADQGSAW-NSHDSACASA-N 280.328 0.819 0 50 CCAA CN1CCN(Cc2cccc3c2OCO3)[C@@H](CO)C1 585117277 XEGIGQQSURSNRE-GFCCVEGCSA-N 264.325 0.524 0 50 CCAA CN1CC(=O)N(Cc2cccc(N3CCOCC3)n2)C1=O 683290443 ODKKEHQJUZBSCZ-UHFFFAOYSA-N 290.323 0.312 0 50 CCAA NS(=O)(=O)C1CN(C(=O)Nc2cccc(Cl)c2)C1 952848391 FNFJLKFSJRTDQJ-UHFFFAOYSA-N 289.744 0.845 0 50 CCAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2cnn[nH]2)C1 1506430273 AJGPXZCDFLPBOS-JTQLQIEISA-N 285.307 0.935 0 50 CCAA CCN(C[C@H]1CCCCO1)C(=O)CN(C)C(N)=O 1506429358 XGQXGOYSCLIFIL-SNVBAGLBSA-N 257.334 0.415 0 50 CCAA COCCC1CCN(c2cc3nncn3c(N)n2)CC1 1506412491 ZEEJGGAXYRDGSY-UHFFFAOYSA-N 276.344 0.959 0 50 CCAA Cc1cc(O)nc(C(=O)N[C@H]2C[C@H](O)C2(C)C)c1 408053645 ILEWUBCVCBXZQX-UWVGGRQHSA-N 250.298 0.985 0 50 CCAA N=C1NC(=O)/C(=C/c2ccc(OCC(N)=O)cc2)S1 5092178 CSPTXVWWUZZOAT-UITAMQMPSA-N 277.305 0.689 0 50 CCAA COc1c(F)cccc1C(=O)N1CC[C@H](CO)[C@@H](O)C1 1857733151 XFOTZHUGAYQEFW-SKDRFNHKSA-N 283.299 0.650 0 50 CCAA CC(=O)CCCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O 12364094 MQGNNJQTNFHNHK-WDEREUQCSA-N 280.328 0.308 0 50 CCAA CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)C(=O)O 12381022 QJHYCOMQYFAEKW-QPUJVOFHSA-N 296.298 0.462 0 50 CCAA CCOC[C@@H](C)N[C@H]1CCCN(c2nccn(C)c2=O)C1 328646229 SOLIDXNQNWBGCK-OLZOCXBDSA-N 294.399 0.764 0 50 CCAA COCCn1cc(CNC(=O)N[C@H]2CCCOCC2)cn1 331511404 MUOMDUGVWLHOGS-ZDUSSCGKSA-N 296.371 0.898 0 50 CCAA c1cnc(N2CCC(N=c3[nH]ccn4cnnc34)CC2)nc1 377398274 JNLLAAIJGYNRGT-UHFFFAOYSA-N 296.338 0.417 0 50 CCAA COCCCS(=O)(=O)N1CCC[C@@H]1C(C)(C)O 157223135 ZUVYIURHAJUQCU-SNVBAGLBSA-N 265.375 0.588 0 50 CCAA C[C@H]1CC[C@@H](C)CN1S(=O)(=O)C[C@@H]1CNCCO1 310943268 LTMVHFAIPLADHJ-WOPDTQHZSA-N 276.402 0.425 0 50 CCAA Nc1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)n[nH]1 77340647 PNCOKVGLQRVPEH-MRVPVSSYSA-N 260.301 0.735 0 50 CCAA NC(=O)c1nc(CNC2CSCCSC2)no1 534640914 CCRIOBLFKOCLIC-UHFFFAOYSA-N 274.371 0.107 0 50 CCAA N[C@@H]1CCN(C(=O)c2cccc(CN3CCOCC3)c2)C1 132435026 AASBRRPDCMUIHP-OAHLLOKOSA-N 289.379 0.692 0 50 CCAA CSc1nnnn1-c1ccc(S(=O)(=O)N(C)C)cc1 4511115 NWBJSTMQIJIGJE-UHFFFAOYSA-N 299.381 0.635 0 50 CCAA CC[C@H](C)Nc1nc(OC)nc(Oc2ccc(=O)[nH]n2)n1 9459125 CEPLOYCYOYSIKO-ZETCQYMHSA-N 292.299 0.966 0 50 CCAA C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 111713342 MPWAIPJGAOSGST-GHMZBOCLSA-N 269.370 0.830 0 50 CCAA CCn1nncc1C(=O)N1CCN(CC(C)(C)O)C[C@H]1C 330582978 LOBLGNRQONBZME-LLVKDONJSA-N 295.387 0.215 0 50 CCAA O=C(NCCNC(=O)C1CCOCC1)c1cccnc1 31796926 AOEWBWFEJUWXRR-UHFFFAOYSA-N 277.324 0.354 0 50 CCAA N[C@H]1CCN(C(=O)Cc2cccc(Cl)c2)C[C@@H]1O 216168062 MIYPRJUNIYQJDG-RYUDHWBXSA-N 268.744 0.803 0 50 CCAA CNC(=O)[C@@H]1CN(C(=O)CC(C)(C)C2CC2)CCO1 332192242 ZMYWHVKNHFUQCT-NSHDSACASA-N 268.357 0.786 0 50 CCAA CC(C)Cn1cnc(S(=O)(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1 366223540 YLQSPLMZZQUUOR-GDNZZTSVSA-N 299.396 0.398 0 50 CCAA C=CC(=O)Nc1ccc(C(=O)N[C@@H]2COC[C@H]2OC)cc1 490734660 RWNLISWOVNFWHB-CHWSQXEVSA-N 290.319 0.955 0 50 CCAA CCC[C@H](C)N1C[C@@H](C(=O)N(C)CCC(=O)O)CC1=O 262733100 CLHCSJHHCBTVSK-QWRGUYRKSA-N 284.356 0.957 0 50 CCAA COC[C@H]1CN(c2nccn3cnnc23)CC(C)(C)O1 285191673 WCQILVJGZICPMH-SNVBAGLBSA-N 277.328 0.755 0 50 CCAA Cc1nc(N)nc(N[C@H]2CCCOC2)c1CCC(=O)O 95366863 UCMBECCTCQHTGL-VIFPVBQESA-N 280.328 0.975 0 50 CCAA CN(C(=O)NCCSc1nc[nH]n1)C1CCOCC1 426395920 HBQRBEMHUVZLNO-UHFFFAOYSA-N 285.373 0.717 0 50 CCAA CC[C@@H](C(=O)NCCCN1CCN(C)CC1)n1cccn1 91646057 CRWRHZQDBMCRDZ-AWEZNQCLSA-N 293.415 0.588 0 50 CCAA CN(C(=O)Cn1c(=O)[nH]c2ccccc21)C1CCNCC1 237086347 KOOAYPJNWLHYOK-UHFFFAOYSA-N 288.351 0.540 0 50 CCAA Cc1noc(C)c1CCNC(=O)[C@@H]1C[C@H]1C(=O)O 268876421 BJKCWSDKVLRIJY-NXEZZACHSA-N 252.270 0.671 0 50 CCAA O=C(Cc1cc(F)c(F)c(F)c1)N[C@H]1CNCC[C@H]1O 534658103 ZKHQXZWQCFVWRP-WDEREUQCSA-N 288.269 0.485 0 50 CCAA N[C@H]1CCCN(S(=O)(=O)CCOc2ccccc2)C1 534669739 QNCQAMUNZMDVPC-LBPRGKRZSA-N 284.381 0.818 0 50 CCAA COCc1noc(CNC(=O)c2c(C)ncnc2C)n1 534637682 HFDKTGUZEAIILJ-UHFFFAOYSA-N 277.284 0.553 0 50 CCAA CN(CC1(CO)CCC1)S(=O)(=O)N1CCCC1 828685716 AGNSTXAGEMFTSY-UHFFFAOYSA-N 262.375 0.421 0 50 CCAA COc1ccc2ncn(Cc3n[nH]c(C)n3)c(=O)c2c1 584902491 BLQLWPHSJJDIAA-UHFFFAOYSA-N 271.280 0.880 0 50 CCAA O=C1Nc2ccncc2C[C@H]1NC(=O)[C@@H](F)C(F)(F)F 1548794113 JECXKPYXADUXBG-HTQZYQBOSA-N 291.204 0.961 0 50 CCAA COC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565527436 KPTUIOBALREHDD-MNOVXSKESA-N 290.323 0.779 0 50 CCAA COC[C@H]1CN(CC2(O)CCOCC2)CC(C)(C)O1 408028006 BZZFHHRVYXYWMR-GFCCVEGCSA-N 273.373 0.654 0 50 CCAA CC(C)[C@@H]1OCCC[C@H]1C(=O)NCc1cncnc1N 408474645 ITNCEUBABYTGNP-NEPJUHHUSA-N 278.356 1.126 0 50 CCAA CN(CCCO)C[C@]1(O)CCN(Cc2ccccc2)C1 188282102 OCIJIXBFAHZZNT-MRXNPFEDSA-N 278.396 0.938 0 50 CCAA C[C@H]1[C@H](N)CCN1C(=O)Cc1cccc2c1CCNC2 638236036 UHMQLNNJWQAEQQ-XHDPSFHLSA-N 273.380 0.823 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccnc(O)c1 644228398 LLQRZTMOGSFVOT-XQQFMLRXSA-N 291.351 0.505 0 50 CCAA CN(CC1(O)CCOCC1)C(=O)[C@H]1CCc2cncn2C1 572245869 FOBWEGBYEIVXGI-LBPRGKRZSA-N 293.367 0.445 0 50 CCAA O=C(N[C@H]1CNCCC1(F)F)c1cnn2cccnc12 575122247 DFKMNKJEGDSPMS-VIFPVBQESA-N 281.266 0.456 0 50 CCAA CNCC(=O)NCc1cnn(Cc2ccccc2)c1 71753035 LQIYNLZGJZYVDH-UHFFFAOYSA-N 258.325 0.767 0 50 CCAA Cc1cc2c(N3CC[C@@](O)(Cn4ccnn4)C3)nccn2n1 671466961 SVLIKKDWFBLBCR-AWEZNQCLSA-N 299.338 0.271 0 50 CCAA CCc1nc(=NC[C@H](CO)Cc2cnn(C)c2)s[nH]1 585092322 PBNWXPIPMAJLBY-SNVBAGLBSA-N 281.385 0.519 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)[C@@H](C)C1CCOCC1 1614564450 KVIWTEZRGJVURB-ZMLRMANQSA-N 256.346 0.152 0 50 CCAA Cc1ccc(=O)n(CC(=O)N2CCOC[C@H]2C2CCC2)n1 1615047025 YCCYEHGKHCHUTR-ZDUSSCGKSA-N 291.351 0.579 0 50 CCAA CC[C@H](C)[C@H](C(=O)N1CCN(C)CC1)n1cnnn1 1615151849 FUGIAPKOGFNFMQ-WDEREUQCSA-N 266.349 0.034 0 50 CCAA C[C@H]1C(=O)N(C)CCN1C(=O)[C@H]1CC[C@H](O)CC1 1506406275 GEQVHBZPUNNHFV-DCAQKATOSA-N 254.330 0.227 0 50 CCAA CN1CC[C@](C)(CN(C)C(=O)c2ncc[nH]c2=O)C1 1506399936 RNIIVXAUIXXBES-ZDUSSCGKSA-N 264.329 0.184 0 50 CCAA O=S(=O)(CCOc1ccccc1)N1CCOCC1 332338 SAORWMYAQNXEFM-UHFFFAOYSA-N 271.338 0.727 0 50 CCAA COC(=O)[C@@H]1CCN(Cc2ncnn2C)C[C@@H]1C 225600844 XFCGAZAHMUOQNC-VHSXEESVSA-N 252.318 0.446 0 50 CCAA CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@@H](C(=O)O)C1 262957848 NQLIZSCKSXUBLI-MRVPVSSYSA-N 277.342 0.133 0 50 CCAA CC(=O)N[C@H](C)C(=O)N1C[C@H](C)OC2(CCC2)C1 335357468 DDCACWHKJLHINR-VHSXEESVSA-N 254.330 0.681 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)[C@H](OC)C1CC1 668294032 OTMZCJQZNQMVTH-ZWNOBZJWSA-N 271.313 0.504 0 50 CCAA OC[C@]12CNC[C@@H]1CN(CCCC(F)(F)F)C2 1772819010 NNDSKANZAZUTMO-NXEZZACHSA-N 252.280 0.843 0 50 CCAA O=C(C[C@H](C(=O)O)N1CCOCC1)Nc1ccccc1 5041667 RZJSREQYVWXGQM-GFCCVEGCSA-N 278.308 0.801 0 50 CCAA C/C=C/Cn1c(SCCO)nc2c1c(=O)[nH]c(=O)n2C 12343369 YSOZNMRIBGJDJH-ONEGZZNKSA-N 296.352 0.084 0 50 CCAA CCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1OC 13677518 IBPPRIIPWMVESN-UHFFFAOYSA-N 298.364 0.886 0 50 CCAA Cc1nc(-c2cnc3cccnn23)n(CC(=O)O)n1 1857709779 RAWBNPZWZFDQOA-UHFFFAOYSA-N 258.241 0.381 0 50 CCAA COC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 2389668 CQIPRSHYISKHFR-JTQLQIEISA-N 280.280 0.330 0 50 CCAA in-vitro N[C@@H](CC(=O)N(C[C@@H]1CCCN1)C1CC1)C1CC1 328655436 YKLJOCADAJLRCB-AAEUAGOBSA-N 251.374 0.857 0 50 CCAA O=C(N[C@H]1CC=CCC1)N1CCN([C@H]2CCNC2)CC1 335299134 RWNWMGSQGYJIMO-KBPBESRZSA-N 278.400 0.784 0 50 CCAA C[C@@]1(F)CNCCN(C(=O)c2c[nH]nc2[C@@H]2CCNC2)C1 662566286 CVVQXZHEYKOZEI-QMTHXVAHSA-N 295.362 0.260 0 50 CCAA CCN1CCC[C@H](CNC(=O)c2ccn(C)n2)C1 589476739 VPXUAOKAPBVWCT-LLVKDONJSA-N 250.346 0.882 0 50 CCAA O=C(NC[C@H]1CSCCS1)Nc1cnn[nH]1 1875269216 NLJPBVFSISRPDS-LURJTMIESA-N 259.360 0.775 0 50 CCAA C=CC(=O)N1CCC(C(=O)N(CCO)C2CCC2)CC1 1875365567 BDBOCVAVELGBNP-UHFFFAOYSA-N 280.368 0.784 0 50 CCAA C=CC(=O)N1CC(C(=O)NCc2nc(C)n3ccccc23)C1 1875386852 AKGXUJWEZULBFC-UHFFFAOYSA-N 298.346 0.903 0 50 CCAA CCC(C)(C)c1nnc(N2C[C@@H](CO)[C@@H](CO)C2)o1 882706063 HJNSVJXVQAQMNL-AOOOYVTPSA-N 269.345 0.794 0 50 CCAA C[C@@H]1CC[C@@H](CC(=O)NCCN2CCNC2=O)C1 894582440 SZVQUGLDOJQNLD-GHMZBOCLSA-N 253.346 0.954 0 50 CCAA COc1cc(C(=O)NC(C)(C)c2cnn(C)c2)[nH]n1 1775987032 HXEJZXKBOIGSLS-UHFFFAOYSA-N 263.301 0.817 0 50 CCAA Cc1conc1CS(=O)(=O)c1nc(CO)cs1 899513604 WZKJCUWMCZUVAE-UHFFFAOYSA-N 274.323 0.906 0 50 CCAA COc1cc(C)[nH]c(=NCC[C@H](O)C(F)(F)F)n1 605147917 KWYVKRSSBFKBPN-ZETCQYMHSA-N 265.235 0.941 0 50 CCAA OC1(CN2CCC[C@@](O)(C(F)(F)F)C2)CCOCC1 408417837 XGWMNUQIEDRGEE-NSHDSACASA-N 283.290 0.917 0 50 CCAA CNC(=O)CC1CCN(c2cc(CO)ccn2)CC1 641411598 KTIZTDGULXMNIV-UHFFFAOYSA-N 263.341 0.926 0 50 CCAA Cc1ccc(OCCS(=O)(=O)N2CCNCC2)cc1 381677570 AYUOVYHRIGSWKJ-UHFFFAOYSA-N 284.381 0.609 0 50 CCAA CCOCCCNC(=O)C(=O)NCc1ccco1 2857261 NTNUUDBKAQZYLS-UHFFFAOYSA-N 254.286 0.439 0 50 CCAA Cn1cnc(NC(=O)[C@@H]2CCCN(C3CCOCC3)C2)n1 2356167831 FBCNEIPCBBSHRR-LLVKDONJSA-N 293.371 0.645 0 50 CCAA CSc1ncc(CN2CCN(C)[C@H](CCO)C2)cn1 104396571 NGHCAAUQVAOAOP-GFCCVEGCSA-N 282.413 0.697 0 50 CCAA CN1C(=O)[C@H]2C=C[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]21 100286849 GPCCRHMTSQOYRL-IGQOVBAYSA-N 296.326 0.814 0 50 CCAA O=C1NCCCC[C@@H]1NC[C@]1(O)CCCN2CCCC[C@@H]21 63856683 CCZYFSQNMAOOQP-SQWLQELKSA-N 295.427 0.624 0 50 CCAA COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)O)C1=O 170622852 DVZVHZCFUPEHAP-JTQLQIEISA-N 292.291 0.633 0 50 CCAA O=C(c1cc(COc2ccccc2F)[nH]n1)N1CC(O)C1 67982607 NGABOZABYYKJCM-UHFFFAOYSA-N 291.282 0.945 0 50 CCAA O=c1[nH]nc2c(S(=O)(=O)N3CCCCCC3)cccn12 62591948 COGOWFLGAIPYKY-UHFFFAOYSA-N 296.352 0.587 0 50 CCAA COC(=O)c1ncsc1S(=O)(=O)NCC1CC1 136426783 BSVQSQQWRISBPN-UHFFFAOYSA-N 276.339 0.618 0 50 CCAA CCc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC)cs1 67695580 QSVAFPYCTNQKPC-ONGXEEELSA-N 281.381 0.598 0 50 CCAA CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)C1CC1 123003208 PECWYMVJSHKZFZ-PSASIEDQSA-N 292.426 0.768 0 50 CCAA Cn1nccc1COCC(=O)N1CCOCC12CC2 328874661 FRVLMRDQACGXDT-UHFFFAOYSA-N 265.313 0.328 0 50 CCAA COCc1nnc(C(=O)N(C)C[C@@H]2CCCCN2C)o1 71760106 GBXYNOIWVLHEHN-JTQLQIEISA-N 282.344 0.772 0 50 CCAA NC(=O)[C@H]1CN(CCc2ccc(F)c(F)c2)CCO1 151998709 ZSLKRAGEASHYCH-GFCCVEGCSA-N 270.279 0.693 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)/C=C/c1ccco1 128248903 FJCJBRDNDCSANN-FSIBCCDJSA-N 265.265 0.995 0 50 CCAA O=C([C@@H](O)c1ccccc1)N1CCCS(=O)(=O)CC1 369926942 KLVPCRZONMLHKB-LBPRGKRZSA-N 283.349 0.367 0 50 CCAA C[C@@H]1CNCCN1S(=O)(=O)c1cn(C)c(Cl)n1 237460420 IOWPICFRSHUITR-SSDOTTSWSA-N 278.765 0.056 0 50 CCAA O=C(CC[C@@H]1CCOC1)NCC(=O)N1CCCCC1 175977726 KZBFBJQKQXVRAT-GFCCVEGCSA-N 268.357 0.932 0 50 CCAA N[C@H]1CCCCN(c2cc(N3CCC(O)CC3)ncn2)C1 82121645 AAJCADLZWMXSFS-LBPRGKRZSA-N 291.399 0.755 0 50 CCAA O=S(=O)(NCc1noc2ccccc12)C1COC1 329660023 OICKZXASKGOJTD-UHFFFAOYSA-N 268.294 0.646 0 50 CCAA Cn1ncnc1[C@H](NC(=O)C(=O)c1ccco1)C1CC1 220609564 KDZIUWODZZLCAN-SNVBAGLBSA-N 274.280 0.858 0 50 CCAA CN(Cc1nccn1C)C(=O)C(C)(C)S(=O)(=O)C1CC1 284622513 VQTJZJZMURICCC-UHFFFAOYSA-N 299.396 0.734 0 50 CCAA CCCCNC(=O)CN(C)C(=O)c1cn(C)c(C)cc1=O 426490317 NQDGOAZDSWPUSJ-UHFFFAOYSA-N 293.367 0.682 0 50 CCAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cnc[nH]1 221429631 VMAUDJBYDJZAEZ-SNVBAGLBSA-N 265.313 0.868 0 50 CCAA CC/C=C/CC(=O)N[C@@H]1CCOC[C@H]1OCC(=O)O 220182432 VSUGDQZDYFVDIM-YIZUVKHSSA-N 271.313 0.718 0 50 CCAA CC[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(C)C2=O)CCO1 528022430 RYEXNFNQHXQVAB-TUAOUCFPSA-N 283.372 0.864 0 50 CCAA O=C1CN(C(=O)c2ccccc2N2CCOCC2)CCN1 195454660 LODLQNJJMJTIFU-UHFFFAOYSA-N 289.335 0.095 0 50 CCAA C[C@@H](C(=O)N(C)Cc1cc[nH]n1)N1CCN(C)CC1 330732878 SDSJJUYRASTVGX-NSHDSACASA-N 265.361 0.004 0 50 CCAA O=C(c1cnc(Nc2ccccc2)nc1)N1C[C@@H](O)CO1 91845915 VQKXLDYKZLONJS-GFCCVEGCSA-N 286.291 0.969 0 50 CCAA Cc1cccc(=O)n1CCC(=O)NCCc1c[nH]cn1 97098868 OJGOJUJNVGEBJE-UHFFFAOYSA-N 274.324 0.629 0 50 CCAA COCc1ccc(C(=O)N[C@H]2C=CS(=O)(=O)C2)o1 97546696 NIKGADVQOJCUFH-QMMMGPOBSA-N 271.294 0.467 0 50 CCAA Nc1nccnc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)O 238058894 XMMXGGBMXYOAKV-NKWVEPMBSA-N 250.258 0.042 0 50 CCAA O=C(NCc1cc(=O)[nH]cn1)[C@@H]1COc2ccccc2C1 95502221 SLMRUAJZERFTSX-NSHDSACASA-N 285.303 0.637 0 50 CCAA C[C@H]1CN(c2ccc3nnc(C(C)(C)C)n3n2)CC(=O)N1 295755592 OHSSNEOOIFNWKH-VIFPVBQESA-N 288.355 0.747 0 50 CCAA Nc1nnc(CNC(=O)c2cc(C(F)(F)F)n[nH]2)s1 534584077 GALWBCKYRSCRJF-UHFFFAOYSA-N 292.246 0.792 0 50 CCAA O=C(NCCc1ccc2c(c1)OCO2)[C@H]1C=CCN1 534633982 UPSRRGBLOBTFSM-LLVKDONJSA-N 260.293 0.602 0 50 CCAA Cn1cc(CCCNC(=O)N2CC[C@H](CO)C2)cn1 534655191 ANZZYLFOOKVMBC-LBPRGKRZSA-N 266.345 0.377 0 50 CCAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(C(=O)CCCc2cn[nH]c2)C1 299780506 NWJXGPFSNPXPIT-NEPJUHHUSA-N 294.355 0.348 0 50 CCAA CCN(CC)CC1(NS(=O)(=O)N2CCCC2)CC1 823076015 GGHROAFRCKKBJD-UHFFFAOYSA-N 275.418 0.791 0 50 CCAA Cc1cnc([C@@H](C)NC(=O)CN(C)C2CCNCC2)[nH]1 584891026 QASKQKZEDUYPJB-LLVKDONJSA-N 279.388 0.579 0 50 CCAA CNC(=O)c1noc(CNC(=O)c2cncc(C)c2)n1 584903533 MJDLLZOXANOCKU-UHFFFAOYSA-N 275.268 0.063 0 50 CCAA CC[C@]1(O)CCCN(C(=O)c2cncc(=O)[nH]2)C1 584892937 AEMXZDAYNDCTLI-LBPRGKRZSA-N 251.286 0.147 0 50 CCAA CCC[C@@H](NC(N)=O)C(=O)N(C)c1cnn(C)c1 268318859 DYRQTIXGHJGHCP-SECBINFHSA-N 253.306 0.220 0 50 CCAA Cc1cccc(CCN2CCO[C@@H](C(=O)N(C)C)C2)n1 670467149 PDMAFGGCIUQPIS-CQSZACIVSA-N 277.368 0.722 0 50 CCAA OCCN1CCN([C@@H]2CCN(c3ccccc3)C2)CC1 952972025 ZAQPENGJQYSKTM-MRXNPFEDSA-N 275.396 0.875 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCCn1ccnc1 1565507019 NOJWZZBSWLVIDX-ATGSNQNLSA-N 292.383 0.497 0 50 CCAA O=C(N[C@H]1COCC[C@@H]1O)c1cc(O)nc2ccccc12 1565509764 JZEOEKQWVRNTKK-STQMWFEESA-N 288.303 0.820 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1cn(C(C)C)nn1 701396245 USBKPCOJKGLYNS-CYBMUJFWSA-N 282.344 0.925 0 50 CCAA COC[C@@H](C)CC(=O)Nc1ccn([C@H]2CCNC2)n1 547691413 SSLJSZUNENDEAL-QWRGUYRKSA-N 266.345 1.029 0 50 CCAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cnccn1 275494240 VLEAGDUBIAFWGF-JQWIXIFHSA-N 287.323 0.953 0 50 CCAA COC(=O)C[C@@H](NC(C)=O)C(=O)N1CCC=C(Cl)C1 585127409 ZMLYQEVJSUVHQQ-SNVBAGLBSA-N 288.731 0.409 0 50 CCAA CC1(C)[C@@H]2NCCC[C@H]2[C@H]1NCCN1CCCC1=O 693665741 GAMLYKLRAHUBKM-MRVWCRGKSA-N 265.401 0.975 0 50 CCAA O=C(NCCn1cnnc1C1CC1)[C@@H](O)C1CC1 1615557157 INVSTMQTYYEJQV-JTQLQIEISA-N 250.302 0.043 0 50 CCAA C[C@@H](CC(N)=O)N(C)C(=O)Cc1ccc(CO)cc1 1506418796 VISVFCWDJKXTOK-JTQLQIEISA-N 264.325 0.444 0 50 CCAA CC(C)(C)OC(=O)N1CCN(S(C)(=O)=O)CC1 6563377 KEVJRVHXORTWTR-UHFFFAOYSA-N 264.347 0.499 0 50 CCAA in-vitro CCNC(=O)C1(NC(=O)c2cnccn2)CCCC1 252480831 CEJWGEMYBPISDZ-UHFFFAOYSA-N 262.313 0.655 0 50 CCAA COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@H]1O 34547455 NJRYBJQLRONERE-SECBINFHSA-N 261.318 0.977 0 50 CCAA in-vitro Cc1nc(O)nc2nc(O)n(-c3ccccc3)c(=O)c12 1776111340 PXNHIPZMKBQLJV-UHFFFAOYSA-N 270.248 0.895 0 50 CCAA O=S(=O)(CC1CCCC1)N1C[C@@H]2CNC[C@@]2(CO)C1 1772710947 UGUBISOABGOUDZ-STQMWFEESA-N 288.413 0.020 0 50 CCAA COCCC(=O)N[C@H]1CCCN(C2CCN(C)CC2)C1 14977905 YHSVOUAVKMAVMF-ZDUSSCGKSA-N 283.416 0.698 0 50 CCAA O=C(NCCCc1ncc[nH]1)[C@@H]1CCc2ncnn2C1 1857717383 NGEVCFQLNPBSPU-SNVBAGLBSA-N 274.328 0.313 0 50 CCAA CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C 4943956 NJHZZPIDXJKZKV-SECBINFHSA-N 286.328 0.675 0 50 CCAA in-vitro COC[C@H](O)CN1CCc2nnn(C3CC(C)C3)c2C1 640039120 VLWUNJZLPCARBG-HTAVTVPLSA-N 280.372 0.615 0 50 CCAA CN(C(=O)Cc1ccc2c(c1)CCCO2)[C@H]1CCNC1=O 335489508 QUIWGRCOYKOEPT-ZDUSSCGKSA-N 288.347 0.901 0 50 CCAA COCC1(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)CC1 253428978 MEARBCSASSCVDP-UWVGGRQHSA-N 263.359 0.388 0 50 CCAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(=O)[nH]n1 267393583 INSKUEPAPNXXJC-BXKDBHETSA-N 265.313 0.561 0 50 CCAA COCCn1nnnc1NC(=O)c1cn2ccccc2n1 906299563 GBNJLFPQUYWKGC-UHFFFAOYSA-N 287.283 0.220 0 50 CCAA O[C@@H]1CN(CCn2cncn2)C[C@H]1Cc1ccccc1 934432356 LOEVHMAFGPHXNX-HUUCEWRRSA-N 272.352 0.814 0 50 CCAA O=C(N=c1cc[nH]cc1)NCCN1CCC2(C1)OCCO2 952883831 XUUCIIPLMRZEIC-UHFFFAOYSA-N 292.339 0.074 0 50 CCAA Cn1nc(O)cc1C(=O)N1CCC[C@H](n2ccnn2)C1 1875293825 DIQONHNIFPJVGD-VIFPVBQESA-N 276.300 0.195 0 50 CCAA COC(=O)/C=C/CNC(=O)c1ccc(CNC(C)=O)o1 1875312283 ZCFRNLLXXKPZBG-ONEGZZNKSA-N 280.280 0.375 0 50 CCAA CO[C@@H]1CN(C(=O)c2coc(C)c2)C[C@H]1c1cn(C)nn1 886078124 MPKQUCOBRHRBCI-WCQYABFASA-N 290.323 0.971 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2cc[nH]c2)C1 886091375 XHNMBFXXVZZUPD-CQSZACIVSA-N 265.357 0.820 0 50 CCAA COC(=O)c1ccc(N2CC[C@@](F)(CO)C2)nn1 253392908 KNFIRXOVIIXSGP-NSHDSACASA-N 255.249 0.174 0 50 CCAA O=C(NCCn1cncn1)[C@@]12CCCC[C@H]1CNC2 262496708 IHANGUGLCJCRRD-WCQYABFASA-N 263.345 0.174 0 50 CCAA COC(=O)c1cnc(N2CCC(CCN)CC2)nc1 565661335 OACYLURHXSUIJK-UHFFFAOYSA-N 264.329 0.828 0 50 CCAA Cc1cn(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)nn1 899901687 SVNZACGOULHLSB-SNVBAGLBSA-N 286.291 0.244 0 50 CCAA O=C(NCc1nc(=O)o[nH]1)c1coc(C2CCCC2)n1 2325703893 ANSLVKIVVZJNJV-UHFFFAOYSA-N 278.268 0.939 0 50 CCAA O=C(O)[C@@H]1C[C@H]2C=C[C@H]1N(C(=O)CCc1cncnc1)C2 2325807561 CPOZQPHRZVKDQM-RAIGVLPGSA-N 287.319 0.897 0 50 CCAA CN(C[P@@](=O)(O)[C@H](O)c1ccccc1)S(C)(=O)=O 196466 NDWQVIAMYARZIX-JTQLQIEISA-N 293.281 0.797 0 50 CCAA O=C(O)[C@H]1CCCN1S(=O)(=O)c1cccs1 264977 NHTQCMVKWAKECO-SSDOTTSWSA-N 261.324 0.986 0 50 CCAA CC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 557971 MGADREZJXMFHBU-UHFFFAOYSA-N 297.380 0.727 0 50 CCAA CC(C)C(=O)N1CCC(CNC(=O)C(C)(C)O)CC1 2356165027 PHNKNAYORXGSIJ-UHFFFAOYSA-N 270.373 0.768 0 50 CCAA O=C1NC(=O)[C@@](Cc2ccccc2)(C2CCNCC2)N1 67654380 JJNMDWYPBRXABC-OAHLLOKOSA-N 273.336 0.807 0 50 CCAA CCOC(=O)C1=C(N)SC[C@]1(O)C(F)(F)F 143545171 YMHFTJJIUZVOHL-SSDOTTSWSA-N 257.233 0.760 0 50 CCAA O=c1c2ccc(F)cc2ncn1CCN1CCNCC1 32558261 CISMZJXYVMTEEP-UHFFFAOYSA-N 276.315 0.441 0 50 CCAA Cc1ccc(F)cc1C(=O)N1CCN[C@@H](C(=O)O)C1 71708031 LNJPXVIJOZZBPA-LLVKDONJSA-N 266.272 0.633 0 50 CCAA CS(=O)(=O)N1C[C@@H](C(N)=O)Oc2ccc(Cl)cc21 33359579 FAXCXDDGASHOKN-VIFPVBQESA-N 290.728 0.352 0 50 CCAA NCCn1cc(C(=O)N2CCCCCCC2)nn1 77516237 LZZRFVNWWISODL-UHFFFAOYSA-N 251.334 0.643 0 50 CCAA COc1ccccc1[C@@H](O)CNC(=O)[C@H]1CCCCN1 154301812 SNHHAQBACLCKPW-OLZOCXBDSA-N 278.352 0.987 0 50 CCAA Cc1ccccc1C1(C(=O)N[C@@H](CO)C(N)=O)CCCC1 366258614 WXYWNFWZKMRSEI-ZDUSSCGKSA-N 290.363 0.769 0 50 CCAA COCc1noc(CN2C(=O)N[C@H](C(C)(C)C)C2=O)n1 332654106 MXBCWDVLRFJCTK-VIFPVBQESA-N 282.300 0.683 0 50 CCAA CC(C)n1cc(S(=O)(=O)N(C)CC(=O)O)cn1 261799095 KXAULSZRHORGFK-UHFFFAOYSA-N 261.303 0.169 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1cccnc1 218963256 MQUSTGVZTQIDRN-MXYBEHONSA-N 276.336 0.790 0 50 CCAA CC[C@@H](C)N(CC(=O)O)C(=O)[C@@H]1CC[C@H](C(=O)O)O1 240934450 JCDMYLSFNUHKFY-HRDYMLBCSA-N 273.285 0.330 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)CCc2ccncc2)CC1 334673288 BZRMNPMCMJQQTJ-UHFFFAOYSA-N 290.367 0.840 0 50 CCAA CSCC(=O)N1CCC[C@@H](c2nnc(CO)n2C)C1 216542137 CTYPJCUZHMWQFI-SECBINFHSA-N 284.385 0.376 0 50 CCAA Cc1cc2nc(C(C)C)cc(N(C)C[C@@H](O)CO)n2n1 72435773 VRSGFPZFNZPRCG-LLVKDONJSA-N 278.356 0.951 0 50 CCAA CS(=O)(=O)CC(=O)NCCc1nc2ccccc2o1 223303947 HPYDYIUZHUTEDE-UHFFFAOYSA-N 282.321 0.531 0 50 CCAA CC(C)C[C@@H](CC(=O)O)NC(=O)C1(O)CCN(C)CC1 426370826 TVIRPEFINXDQMO-NSHDSACASA-N 286.372 0.449 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cn(C)cn2)C1 286575979 YXSKUJBPRIELAJ-STQMWFEESA-N 292.383 0.745 0 50 CCAA CC[C@H]1CN(C(=O)Cc2cncn2C)C[C@@]2(CCOC2)O1 526034511 SRVBOVGBABPOJG-DZGCQCFKSA-N 293.367 0.759 0 50 CCAA Cc1cccc(=O)n1CCC(=O)N1CCCC[C@H](N)C1 82086523 WJEHRJPOWZSMTI-ZDUSSCGKSA-N 277.368 0.887 0 50 CCAA Cc1cnc(CNC(=O)N2CC[C@@H](CN(C)C)C2)[nH]1 426658525 RZKRKIQZSORWIH-NSHDSACASA-N 265.361 0.811 0 50 CCAA CNCc1nnc(SCc2nnc(C)s2)n1C 426716864 JVXIHJQPIBYIIZ-UHFFFAOYSA-N 270.387 0.987 0 50 CCAA O=C(CCc1ccncc1)N1CCS(=O)(=O)CC1 97570870 FTDRJZIQKBOTRT-UHFFFAOYSA-N 268.338 0.271 0 50 CCAA C[C@@H](NC(=O)CCn1cnc2sccc2c1=O)C(=O)O 237588334 YWTKRFDOJALNNP-SSDOTTSWSA-N 295.320 0.437 0 50 CCAA CC(=O)NCc1ccc(N2C[C@H](C3CC3)[C@@H](N)C2)nc1 95354463 YUHQKIOHJAOOLV-KGLIPLIRSA-N 274.368 0.891 0 50 CCAA CSCCc1nc([C@H]2COCCO2)n(CCO)n1 96152764 GGLHZKGPQUJQLW-SECBINFHSA-N 273.358 0.264 0 50 CCAA CCC[C@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1N 91725142 DJVJFAVNFPOZHN-RYUDHWBXSA-N 265.361 0.644 0 50 CCAA CNc1cc(C(=O)N2CCC[C@@H](NC(C)=O)C2)ccn1 97759446 JEFRNTIVOQBARI-GFCCVEGCSA-N 276.340 0.864 0 50 CCAA CN1CCN2CCN(C(=O)c3ccc(CO)cc3)C[C@H]2C1 244734669 NJQUMOXDXPTSMZ-OAHLLOKOSA-N 289.379 0.251 0 50 CCAA C[C@H]1OCCN(c2nc3ccccc3o2)[C@@H]1C(N)=O 295887917 BIBKFJPNVFPCDD-KCJUWKMLSA-N 261.281 0.907 0 50 CCAA CCC[C@H]1C(=O)NCCN1C(=O)Cc1ccncc1 182172983 LYFZCCLUNGHRJT-LBPRGKRZSA-N 261.325 0.751 0 50 CCAA CN1Cc2ccccc2[C@H](NC(=O)[C@H]2CCCN2C)C1=O 623287545 CXMRMOHXIZMVRS-KGLIPLIRSA-N 287.363 0.910 0 50 CCAA COC(=O)c1cn(Cc2cccnc2)cc2c(=O)[nH]nc1-2 253397637 BOIPCZRHXNQYAQ-UHFFFAOYSA-N 284.275 0.906 0 50 CCAA CN(CC(=O)NCCc1ncc[nH]1)Cc1ccncc1 534668509 FNDQLZAVOFHUMY-UHFFFAOYSA-N 273.340 0.595 0 50 CCAA O=C(O)CCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1 534673732 SMYAWMMDOLOKPJ-QWRGUYRKSA-N 270.329 0.221 0 50 CCAA CCOC[C@H](O)CNC(=O)NCc1ccsc1 355952441 KAQIRFPTKYHLDW-SNVBAGLBSA-N 258.343 0.945 0 50 CCAA O=C(CCN1CCCCC1=O)NCC[C@H]1CCOC1 534658060 JPGLUMKNUPRIPK-LBPRGKRZSA-N 268.357 0.932 0 50 CCAA Cn1cnnc1CCC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 299798630 TXGKEUDXYLBABK-LLVKDONJSA-N 288.355 0.877 0 50 CCAA C[C@@H](CN1CCOCC1)NCCC1(O)CCCC1 821285514 MPJLNISTWANXEP-ZDUSSCGKSA-N 256.390 0.992 0 50 CCAA CSCC(=O)N1CCN([C@@H]2CN3CCC2CC3)CC1 584895192 KTBXBFNUVBKKSO-CYBMUJFWSA-N 283.441 0.588 0 50 CCAA CCOC(=O)N1CC[C@H](NCCc2nc(N)cc(O)n2)C1 584887538 FTPCFIXZGKJBGJ-VIFPVBQESA-N 295.343 0.127 0 50 CCAA CC[C@]1(CO)CCCN(S(=O)(=O)c2cn[nH]c2)C1 670467753 HXVMEIWAEMJJDR-NSHDSACASA-N 273.358 0.583 0 50 CCAA O[C@]1(c2ccccc2)CCN(CCn2cnnc2)C1 670448707 APMCBPZCEBXIOH-CQSZACIVSA-N 258.325 0.872 0 50 CCAA O=C(CC1CC1)NC1(c2ncon2)CCOCC1 1342602592 YSOQFCKQVDXNMV-UHFFFAOYSA-N 251.286 0.992 0 50 CCAA N[C@H]1CCN(c2cc(C(=O)N3CCCC3)ccn2)C[C@@H]1O 1565506524 MVLRNRDSTJRDII-STQMWFEESA-N 290.367 0.216 0 50 CCAA COc1coc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)cc1=O 407954524 DVSPFGNYZADCDO-NXEZZACHSA-N 280.324 0.813 0 50 CCAA Cc1cnc(C(=O)NC[C@@H]2CCc3nccn3C2)cn1 275294960 GLYCBVTZAIIZGD-NSHDSACASA-N 271.324 0.974 0 50 CCAA CC(C)[C@@H]1C[C@H]1NC(=O)c1cnn(C)c1-n1cnnc1 569804601 JJIBXWRNBXFHFG-GXSJLCMTSA-N 274.328 0.775 0 50 CCAA COc1cccc(NC(=O)N2CCN(C[C@H](C)O)CC2)n1 667324559 BRYRFLWCDPJELG-NSHDSACASA-N 294.355 0.621 0 50 CCAA Cc1noc([C@@H]2COCCN2Cc2nc(N(C)C)no2)n1 193005290 MFYUXIJUEUUYIL-VIFPVBQESA-N 294.315 0.401 0 50 CCAA CC(C)Oc1cncc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 655096022 SGPWVVCMAAFBRX-KBPBESRZSA-N 293.367 0.616 0 50 CCAA C[C@@H](c1noc(C(N)=O)n1)n1cc(Br)cn1 904100997 WDVNICHDAVRPJN-BYPYZUCNSA-N 286.089 0.737 0 50 CCAA Nc1cc(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)[nH]n1 1704298117 FSHWOSMXUCEMQD-PWSUYJOCSA-N 287.323 0.063 0 50 CCAA Cc1cc(C(N)=O)c(NCCc2nnc(N)s2)nc1C 1704343472 HUPHEMCVSCFRSV-UHFFFAOYSA-N 292.368 0.886 0 50 CCAA CN1CCCN(CC(=O)N2CCC[C@H](C3(O)CC3)C2)CC1 1772811859 ZMKFRKFQYMNTJY-AWEZNQCLSA-N 295.427 0.387 0 50 CCAA Nc1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1 13957726 QMOGRIPKSLBAMO-UHFFFAOYSA-N 285.351 0.674 0 50 CCAA O=C(c1cnsn1)N1CCN(c2ccccn2)CC1 18254941 WWDZIUDGOAWEQI-UHFFFAOYSA-N 275.337 0.896 0 50 CCAA CC(C)c1ncc(C(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)cn1 1857675501 AZIHCZDJSBWDTL-GXSJLCMTSA-N 274.324 0.561 0 50 CCAA Cn1nc(C(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)cc1C1CC1 1857668652 REXJGVBFWFULMB-GXSJLCMTSA-N 274.324 0.258 0 50 CCAA C[C@H]1COC[C@H]2CN(c3cncc4nccn34)CCN12 1875245865 BGCCMNPPYFKSBU-NWDGAFQWSA-N 273.340 0.639 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2cccc(N)n2)C[C@H]1O 1875248804 PFJFFCOWYRCYRQ-IUODEOHRSA-N 293.367 0.649 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(c1nccc3ncccc13)C2 1875248899 WVVLKMWTMBEMPY-MNOVXSKESA-N 284.319 0.581 0 50 CCAA Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)N2CCCCC2)n1 328646190 ZZTFAUDRAYMBAE-VXGBXAGGSA-N 294.355 0.498 0 50 CCAA CC1=CCCN(C(=O)CN2CCCC[C@@H](O)C2=O)C1 644459697 IXUYRNUQJRMHQJ-GFCCVEGCSA-N 266.341 0.538 0 50 CCAA Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CNCCO2)CCO1 237642072 VHWDJHYNMHDKPV-CABCVRRESA-N 290.363 0.883 0 50 CCAA O=C1C[C@H](NS(=O)(=O)C2CC2)[C@H]2CCCCN12 252509389 YMUNFTBOICIOMV-VHSXEESVSA-N 258.343 0.222 0 50 CCAA Cc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@H](C)N[C@@H](C)C1 153480852 UFICIDLRDQLJCQ-YUMQZZPRSA-N 290.323 0.647 0 50 CCAA Cn1ccnc(N2CCN(c3ccccn3)CC2)c1=O 266083297 BWGJAXWYDBDDHW-UHFFFAOYSA-N 271.324 0.502 0 50 CCAA N[C@H](CNS(=O)(=O)CC1CCNCC1)c1ccccc1 905329193 HHTATDVCECUOPB-CQSZACIVSA-N 297.424 0.605 0 50 CCAA CC(C)(CO)ONC(=O)[C@]1(c2ccccc2)C[C@H](O)C1 908569066 LNOZNBCDXZQKRH-JNSHFYNHSA-N 279.336 0.898 0 50 CCAA OCc1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)ccn1 858389917 PTAUEQDBWHDDJZ-HUUCEWRRSA-N 277.368 0.609 0 50 CCAA NC[C@H](C(=O)NCc1ccccc1CO)C1CCOCC1 864739042 MKDUXHCGWSMGID-HNNXBMFYSA-N 292.379 0.797 0 50 CCAA CS(=O)(=O)CCOC(=O)c1nnc(O)c2ccccc12 952964727 WDTDOOQHLIJCSQ-UHFFFAOYSA-N 296.304 0.537 0 50 CCAA Cc1noc(C)c1CCNC(=O)c1cc(O)nn1C 1875293607 WMUVMWJIYKUGJU-UHFFFAOYSA-N 264.285 0.703 0 50 CCAA CN(C)[C@H]1c2ccccc2C(=O)N1[C@@H]1CCC(=O)NC1=O 1875290415 DEDHMWRLLDHXOU-BXUZGUMPSA-N 287.319 0.508 0 50 CCAA Cn1cnnc1[C@H]1CCN([C@@H]2C[C@H](C(C)(C)C)NC2=O)C1 1875397150 NREFAZGCZZTURD-QJPTWQEYSA-N 291.399 0.908 0 50 CCAA Cc1ccnc(S(=O)(=O)CCNC(=O)C2CC2)c1 899507299 UCVJRRTZJUQWFY-UHFFFAOYSA-N 268.338 0.690 0 50 CCAA Cn1cc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)cn1 864272606 FESIRHYGPUWCPU-LLVKDONJSA-N 281.312 0.277 0 50 CCAA COc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N)S2)cc1 169807 LJXNRTUHRINMSV-VIFPVBQESA-N 279.321 0.981 0 50 CCAA COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)C 3374975 MQLMCRQJDMMJSS-UHFFFAOYSA-N 259.283 0.644 0 50 CCAA CNC[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H](C)C1 133181875 SGWWLJFBNMMEFZ-VXGBXAGGSA-N 275.418 0.647 0 50 CCAA O=C(c1cccnc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 4749804 NKVKRCJGXMYWOG-ZDUSSCGKSA-N 289.335 0.545 0 50 CCAA CO[C@@H]1CC[C@H]2OCCN(C(=O)N3CCOCC3)[C@H]2C1 245712697 NJJILAHXDCNXJR-FRRDWIJNSA-N 284.356 0.707 0 50 CCAA COCc1ccccc1CNC(=O)N[C@H]1CCNC1 416990439 BSPYJPSSGNGTKY-ZDUSSCGKSA-N 263.341 0.994 0 50 CCAA CO[C@H]1C[C@@H](CO)N(Cc2cccc3c2OCO3)C1 343973801 GWHNRZKKFAEQHG-RYUDHWBXSA-N 265.309 0.997 0 50 CCAA NCCc1cccc(CN2CCOC[C@@H](CO)C2)c1 77298780 MQWFTFVXKUYOCM-OAHLLOKOSA-N 264.369 0.629 0 50 CCAA CN(C)Cc1nnc(C2CCN(CCN)CC2)n1C 77377721 HZIOQIQDJYYERE-UHFFFAOYSA-N 266.393 0.015 0 50 CCAA O=C(C[C@@H]1COCCN1)Nc1ccc(-n2cncn2)cc1 72121650 GVLADDBOBCSXRW-GFCCVEGCSA-N 287.323 0.584 0 50 CCAA Cc1ncc2c(c1CNC(=O)c1cccnn1)CCNC2 72475767 JQIKYUKPPWEKAB-UHFFFAOYSA-N 283.335 0.756 0 50 CCAA O=C(CCOc1ccccc1)N1CC[C@H](CO)[C@@H](O)C1 72134307 CGQXOTUDWMZMKO-OCCSQVGLSA-N 279.336 0.657 0 50 CCAA CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)C1CC1 123002981 PECWYMVJSHKZFZ-WPRPVWTQSA-N 292.426 0.768 0 50 CCAA O=c1ccccn1CCNS(=O)(=O)N1CCCCCC1 329266595 FTNPUAQCJMNHPS-UHFFFAOYSA-N 299.396 0.559 0 50 CCAA Cn1cc(C(=O)N2CCC[C@@H](n3ccnn3)C2)cn1 331842928 PJXNEKLRJBLGKL-LLVKDONJSA-N 260.301 0.489 0 50 CCAA O=C(Cc1nc(-c2cnccn2)n[nH]1)NCc1ccco1 32616723 KTIMCNQPDRSTFH-UHFFFAOYSA-N 284.279 0.714 0 50 CCAA COC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1 34781191 XAVYTZMVMTXAEC-JTQLQIEISA-N 251.282 0.891 0 50 CCAA NCCOCCOCCNC(=O)c1ccc(C=O)cc1 219025821 MAVIFAPOMVRMJK-UHFFFAOYSA-N 280.324 0.221 0 50 CCAA O=C(NCC1CCN(c2cnccn2)CC1)c1cnccn1 70930231 LCXRVDIKCXJQCK-UHFFFAOYSA-N 298.350 0.913 0 50 CCAA NC1(C(=O)N[C@@H]2CCOC[C@H]2OCC2CCC2)CC1 220340621 HQLITEBKLFIDHK-VXGBXAGGSA-N 268.357 0.568 0 50 CCAA Cc1cccc(CS(=O)(=O)N[C@H]2CC(=O)N(C)C2=O)c1 287138359 BEOLJAXAQAOSJO-NSHDSACASA-N 296.348 0.172 0 50 CCAA CCCC(=O)N1CCC(C(=O)NCCOC)CC1 40456015 NASJVBXPBRKLDZ-UHFFFAOYSA-N 256.346 0.788 0 50 CCAA Cc1cnn([C@H](C)C(=O)NCC2(N(C)C)CCOCC2)c1 426641575 RAUMGOHJRXTYNY-CYBMUJFWSA-N 294.399 0.980 0 50 CCAA CC(C)c1nccc(C(=O)N[C@@H]2CCOC[C@H]2O)n1 223372974 HPCJHQRNEAPNHA-MWLCHTKSSA-N 265.313 0.480 0 50 CCAA CN1CCN([C@H]2CN(c3ncccc3F)C[C@@H]2O)CC1 1506399065 YCDSHHXEEWPCPE-STQMWFEESA-N 280.347 0.018 0 50 CCAA Cc1ccn(CCC(=O)N[C@H](C(=O)O)C2CC2)n1 426734527 PYEKOIFNGWHZGB-NSHDSACASA-N 251.286 0.561 0 50 CCAA O=C(CCc1cnccn1)NC1(C(=O)O)CCCC1 426412732 IPPXBTWMYFGBLW-UHFFFAOYSA-N 263.297 0.923 0 50 CCAA Cc1csc(S(=O)(=O)N[C@H]2CCCNC2=O)c1 333145197 ZQQUTZGRLGNHIA-QMMMGPOBSA-N 274.367 0.613 0 50 CCAA Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1 91547164 HNARSGSKTWITMR-LBPRGKRZSA-N 292.383 0.955 0 50 CCAA Cc1cc(=O)c(C(=O)NCCN2CCCOC2=O)c(C)[nH]1 426431098 RJBLTQYZIVPYBW-UHFFFAOYSA-N 293.323 0.564 0 50 CCAA Cc1ccc(C(=O)N2CCNC[C@H]2C)cc1S(N)(=O)=O 179105999 CNPTWFNTRGKGSM-SNVBAGLBSA-N 297.380 0.076 0 50 CCAA CCCn1ncc(C(=O)NC2(C(=O)O)CCOCC2)c1C 95507072 TVFBFKGZNYQNDZ-UHFFFAOYSA-N 295.339 0.965 0 50 CCAA CCN1C[C@@H](C(=O)N(C)CCn2nc(C)cc2C)CC1=O 91707298 BWKGGJCOIVXVMV-ZDUSSCGKSA-N 292.383 0.827 0 50 CCAA CC[C@H](NC(=O)CSc1nnnn1C)c1ccncc1 91059748 KWIVSRWUYKNBRR-JTQLQIEISA-N 292.368 0.965 0 50 CCAA CSCCC(=O)N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1 244659465 HDESLXUXDBDXOE-YRGRVCCFSA-N 286.441 0.995 0 50 CCAA O=C(O)c1n[nH]c2c1CN(C[C@H]1CCCOC1)CC2 244796147 RTZMXEILFPTULU-SECBINFHSA-N 265.313 0.893 0 50 CCAA O=C1[C@@H]2[C@@H](O)[C@@H]3C(=O)[C@@H]4[C@@H]5C=C[C@@H]6[C@@H]1[C@H]1[C@H]([C@H]65)[C@@H]4[C@@H]3[C@@H]12 247703729 BUXVXPFIGQLURW-FGPYUFJCSA-N 268.312 0.531 0 50 CCAA CC(=O)N1CC(Nc2cccc3nonc23)=CC1=O 253471682 XDSVFEAWWDBCQG-UHFFFAOYSA-N 258.237 0.907 0 50 CCAA CC(C)n1ccnc1CNC(=O)[C@@H]1CCS(=O)(=O)C1 534663932 FVLLSWABVYCPNY-SNVBAGLBSA-N 285.369 0.515 0 50 CCAA COCCOCC(=O)NC[C@@H](C)n1cc(C)cn1 534655954 IWIQOBYOLGHFJJ-LLVKDONJSA-N 255.318 0.532 0 50 CCAA COc1cc(Cn2cnc3c(N(C)C)ncnc32)on1 629150118 OSGLDPKFRZHSNI-UHFFFAOYSA-N 274.284 0.937 0 50 CCAA COc1ccccc1[C@]1(CC(=O)O)CC(=O)N(C)C1=O 299799215 PWUGAANHXRDHEB-CQSZACIVSA-N 277.276 0.796 0 50 CCAA CCCn1cnnc1[C@H](C)NC(=O)Cn1cccnc1=O 299799064 UXJXWHRYWRJKPY-JTQLQIEISA-N 290.327 0.122 0 50 CCAA CN(C)CC(=O)N1CCC(CN)(C(F)(F)F)CC1 725264776 VTWJSXMMLIKWHZ-UHFFFAOYSA-N 267.295 0.678 0 50 CCAA C[C@H](Cn1cccn1)C(=O)NCc1nnc2ccccn12 952968104 ATYKLWYTWYOUKG-LLVKDONJSA-N 284.323 0.878 0 50 CCAA CC[C@@H]1C[C@@H](C(=O)N2CC[C@@](C)(C(N)=O)C2)CC(=O)N1 408328368 WTFLWTKGOXIKPE-GPCCPHFNSA-N 281.356 0.015 0 50 CCAA C[C@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H](C)N)C[C@@H](C)O1 166153560 HGMSEJWIYYSGPV-XQHKEYJVSA-N 269.389 0.434 0 50 CCAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cnccn2)cn1 275324216 JIGRARWQSNNYED-WCQYABFASA-N 287.323 0.953 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)NCc1cncnc1N 277360566 OPQPOCRIXQNCCN-GHMZBOCLSA-N 264.329 0.880 0 50 CCAA Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NC1COC1 634256824 WIINMGAHWLDXGL-UHFFFAOYSA-N 290.323 0.348 0 50 CCAA CONC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O 190068767 XDSYVNRDFXTQAA-GFCCVEGCSA-N 277.324 0.957 0 50 CCAA Cc1n[nH]c(=NC(=O)N2C[C@@H]3C[C@H]2CS3)s1 560913691 CHMZTEDKLXOUJE-BQBZGAKWSA-N 256.356 0.990 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)Cc1ccn(C)n1 583159340 LPVLGDZLGSNIFU-NWDGAFQWSA-N 267.329 0.225 0 50 CCAA C[C@H](CO)N[C@@H]1C[C@H]2CN(Cc3ccccc3)CCN2C1 1615571904 PXZYVNGLLQNYGR-OIISXLGYSA-N 289.423 0.916 0 50 CCAA CCc1cnc(O)c(C(=O)N2C[C@@H]3CC[C@@]3(N)C2)c1 1615547885 VUYITWGAMNPJBW-IINYFYTJSA-N 261.325 0.913 0 50 CCAA O=C1[C@@H](C(=O)N2CC3(C2)N=N3)CCCN1CC(F)(F)F 1775993493 ZYQCIGPSRDQVSB-ZETCQYMHSA-N 290.245 0.792 0 50 CCAA COCC1(NC(=O)c2[nH]c(=N)[nH]c2C)CCCC1 1857695135 VNIWUDXBVFWSIF-UHFFFAOYSA-N 252.318 0.820 0 50 CCAA COCCOC1CCN(Cc2nncn2C)CC1 116883952 UDIYOBZLHXYPDX-UHFFFAOYSA-N 254.334 0.443 0 50 CCAA CO[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C(N)=O)C1CC1 408462746 AHLHLQYQYASRSN-MIMYLULJSA-N 254.330 0.524 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1 531563661 IRPBYQHXGCQJNQ-SECBINFHSA-N 261.285 0.375 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CCO1 250810324 DDNGUQQKJWRPII-ZRUFSTJUSA-N 253.298 0.735 0 50 CCAA O=C(O)c1cnc(N2C[C@@H]3CNC[C@@]3(CO)C2)c(Cl)c1 1772814944 VNLWYZKHPLRQEI-ZANVPECISA-N 297.742 0.451 0 50 CCAA CC(=O)c1cnc(NC[C@@H](O)CN2CCCC2)nc1C 1772703649 HQPQFZHDTPAAIN-GFCCVEGCSA-N 278.356 0.856 0 50 CCAA Cn1nc(C(=O)NCc2ccon2)c2ccccc2c1=O 19841226 GPYYWFKCGJEOML-UHFFFAOYSA-N 284.275 0.852 0 50 CCAA O=C(O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 82267 DUANFASSZWBAOS-CYBMUJFWSA-N 276.336 0.894 0 50 CCAA in-vitro CC1(C)NC(=O)CC[C@@H]1NC(=O)CCc1cn[nH]c1 629990744 GULDXPDQSSPOKB-JTQLQIEISA-N 264.329 0.516 0 50 CCAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)C2(F)CC2)cn1 843911563 LXAVXLZEJJZFKG-WDEREUQCSA-N 283.303 0.668 0 50 CCAA C[C@@H]1CN(C(N)=O)C[C@H](c2nc(C3CC3)no2)O1 1857779813 NKQZGDLUOVHCFJ-HTRCEHHLSA-N 252.274 0.788 0 50 CCAA Cc1ccc2ncc(C(=O)N3C[C@@H](CO)C[C@H]3CO)n2c1 1875286383 RYZYLXXYPPFKOK-RYUDHWBXSA-N 289.335 0.458 0 50 CCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)S(C)(=O)=O)C1 886079708 WFQAQAPWVIUGIB-UTUOFQBUSA-N 276.402 0.520 0 50 CCAA Cn1cncc1CNC(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 886078249 QXNVSCXAHXQXDN-OLZOCXBDSA-N 289.339 0.927 0 50 CCAA COCCn1cc(C(=O)N2CCc3ncccc32)nn1 888141573 CPJQUKLFUHCMSV-UHFFFAOYSA-N 273.296 0.522 0 50 CCAA COCC(=O)N1CCN(Cc2ncccc2C)CC1 20668373 RCECADRKDPYNHK-UHFFFAOYSA-N 263.341 0.681 0 50 CCAA OCCOCCN1CCN(Cc2ccccc2F)CC1 23115294 FFZKTLVWOUVEND-UHFFFAOYSA-N 282.359 0.952 0 50 CCAA CO[C@H]1C[C@@H](CO)N(Cc2cn3ccccc3n2)C1 311783000 ICUNKGYXBMERQG-STQMWFEESA-N 261.325 0.916 0 50 CCAA CN(CC(=O)O)[C@@H]1CN(Cc2ccccc2)C[C@H]1O 328604123 IOZNKABUEGULME-CHWSQXEVSA-N 264.325 0.248 0 50 CCAA Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)no1 1053497 IODRLHFDXMWVKT-LBPRGKRZSA-N 293.323 0.446 0 50 CCAA CCN1CCC(NCCCN2CCOCC2)CC1 2498885 YOLQCJPJCXULOC-UHFFFAOYSA-N 255.406 0.783 0 50 CCAA Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CN)ccc12 2517179 LPLILQIZVFKNJC-UHFFFAOYSA-N 289.291 0.115 0 50 CCAA O=C(NCCc1ccncc1)C(=O)NCCc1ccncc1 3172807 LVUBPRAMTPLTPV-UHFFFAOYSA-N 298.346 0.494 0 50 CCAA Cc1c(C(=O)NCCO)sc2nc3n(c(=O)c12)CCC3 4838660 CVGCOIDQSZNGJX-UHFFFAOYSA-N 293.348 0.435 0 50 CCAA CCCCn1c(=O)c2c(nc3n2CC(C)=NN3)n(C)c1=O 10330663 HGBXSEMIVCUYTD-UHFFFAOYSA-N 290.327 0.498 0 50 CCAA O=C(NCc1ccoc1)NCC1(O)CCOCC1 171432742 QYGARDYBXOSCPL-UHFFFAOYSA-N 254.286 0.620 0 50 CCAA COC(=O)Cc1c(C)[nH]c2nc(-c3cccnc3)nn2c1=O 100641677 MPAMMRXVQKXMMD-UHFFFAOYSA-N 299.290 0.504 0 50 CCAA CCNC(=O)NC(=O)CN(C)[C@H]1C[C@](C)(OC)C1(C)C 247704545 YPUUVQHSAWHPFF-HZMBPMFUSA-N 285.388 0.968 0 50 CCAA COCCN1CCC[C@](O)(CNCc2cccnc2)C1=O 67946483 BBLFLUCADXKASQ-HNNXBMFYSA-N 293.367 0.171 0 50 CCAA C[C@@H]1OCC[C@@]1(O)CNC(=O)Cc1ccsc1 228684913 ZFFGMTMMQLRLPE-JOYOIKCWSA-N 255.339 0.947 0 50 CCAA O=C(O)CCn1c(Cc2ccc(O)cc2)n[nH]c1=O 65431120 CXHHHMGUJNKWKD-UHFFFAOYSA-N 263.253 0.343 0 50 CCAA Cc1cnn(CCNC(=O)[C@@H]2CCCN[C@H]2C)c1 235306450 GZFRDQOVQMHNKD-NWDGAFQWSA-N 250.346 0.696 0 50 CCAA O=C(Nc1nc[nH]n1)[C@@H]1CC(=O)N(Cc2ccco2)C1 31287851 ODBOLASQZSBMMB-MRVPVSSYSA-N 275.268 0.385 0 50 CCAA COC(=O)c1ccc(NC(=O)CNC(C)=O)cc1 35152583 FCNQJXOYZJMJDV-UHFFFAOYSA-N 250.254 0.548 0 50 CCAA Cn1nccc1S(=O)(=O)NC[C@H]1CCn2ccnc2C1 328629135 OLCTVNCWHBJZAX-JTQLQIEISA-N 295.368 0.158 0 50 CCAA C[C@H](C(=O)OC(C)(C)C)N1CCN(C(=O)CN(C)C)CC1 150991623 KPOICNAEQRUCEC-GFCCVEGCSA-N 299.415 0.422 0 50 CCAA CN[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 151009556 CVURHBKUFSRHNI-LLVKDONJSA-N 289.335 0.842 0 50 CCAA O=S(=O)(NCC1(C(F)(F)F)CC1)N1CCOCC1 332117523 GRMPKFCMDYZGDW-UHFFFAOYSA-N 288.291 0.496 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc2nc[nH]c2n1 282253842 SSLHJRMTERUPPG-SFYZADRCSA-N 273.296 0.355 0 50 CCAA CN(C)C[C@]1(O)CCN(Cc2ccc(O)c(C(=O)O)c2)C1 72431248 JTMZMUXSRZJHKR-OAHLLOKOSA-N 294.351 0.589 0 50 CCAA c1cc(CN2CCO[C@@]3(CNCCOC3)C2)cs1 72165333 GMIQDHPOZZIJRA-ZDUSSCGKSA-N 268.382 0.939 0 50 CCAA CCc1ncsc1NC(=O)C(=O)N1CCOCC1 129106785 QXTOOLYBJNIHHO-UHFFFAOYSA-N 269.326 0.503 0 50 CCAA CNC[C@@H]1C[C@H](F)CN1C(=O)CCOC1CCOCC1 375064252 ILZAAVGADIMYAN-RYUDHWBXSA-N 288.363 0.731 0 50 CCAA O=C(NC1(C(=O)O)CC1)c1ccc(-n2cncn2)c(F)c1 237981113 NFOPNDWACHXHHI-UHFFFAOYSA-N 290.254 0.753 0 50 CCAA O=C(c1ccoc1Cl)N1CC[C@@](O)(c2c[nH]nn2)C1 284991618 ZFHMPNCIHDIOHW-NSHDSACASA-N 282.687 0.785 0 50 CCAA C[C@]1(C(=O)O)CCCCN1C(=O)c1nc2ncccn2n1 216441590 CWBORFIUJLWXDO-CYBMUJFWSA-N 289.295 0.594 0 50 CCAA COCCS(=O)(=O)N1CCOc2ccncc21 175665640 SHGJCDGYKCFQMQ-UHFFFAOYSA-N 258.299 0.257 0 50 CCAA CC(C)[C@@H](NC(=O)CCc1ccnn1C)C(=O)O 190519798 UDLISQJFALOKNZ-LLVKDONJSA-N 253.302 0.578 0 50 CCAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cnc2n1CCOC2 612658516 IVPUJBSVPDFVNU-DZGCQCFKSA-N 299.330 0.801 0 50 CCAA O=C(C[C@@H]1CCOC1)N1CCC(n2cnnc2)CC1 426619976 FFMCZOGZLQFZHM-NSHDSACASA-N 264.329 0.868 0 50 CCAA CCO[C@H](C)C(=O)NCCCn1nc(C)nc1C 426477334 FPOULDFMVRFZCP-SECBINFHSA-N 254.334 0.826 0 50 CCAA CC(C)(C)NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](O)[C@@H]1C[C@@H]32 238881906 BLAZTYWQGVOJKT-AIGBEWNKSA-N 253.298 0.070 0 50 CCAA CCCc1nnc(N(C)CCN2CCOCC2)o1 95362488 IVRPKBVMIRTRLM-UHFFFAOYSA-N 254.334 0.791 0 50 CCAA CCc1cnc(N2CCC(N(C)CCO)CC2)nc1 95384868 ALIMOIYCWKVKNF-UHFFFAOYSA-N 264.373 0.932 0 50 CCAA CCc1ncc(C(=O)N[C@H]2CCC[C@H]2C(N)=O)cn1 95378314 QPBPRFWFTZDXCA-ZJUUUORDSA-N 262.313 0.423 0 50 CCAA Cc1ccc2c(n1)OCCN2S(=O)(=O)c1cnn(C)c1 181044387 JMVIDOBLZZNKLY-UHFFFAOYSA-N 294.336 0.711 0 50 CCAA CN[C@@H](C)C(=O)N(C)CCc1noc(C(C)C)n1 244858504 VMJXOUYMQARSNH-VIFPVBQESA-N 254.334 0.802 0 50 CCAA Cc1ccnn1CCN1CCN(c2nc[nH]n2)CC1 244701093 KABYYTMVDYQISV-UHFFFAOYSA-N 261.333 0.132 0 50 CCAA O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)c1ccc2nnnn2c1 628205546 UCIUAKOIBZVFOP-BXKDBHETSA-N 299.294 0.107 0 50 CCAA Cn1cnnc1CCNC(=O)CSCCN1CCCC1 244633646 GGWVHEOGXYKJQX-UHFFFAOYSA-N 297.428 0.303 0 50 CCAA Cc1cn(CCNC(=O)CCC2CCN(C)CC2)nn1 299758087 AZDLIGBPECQXLR-UHFFFAOYSA-N 279.388 0.825 0 50 CCAA Cc1ccnc(CNC(=O)CCCn2cnnn2)c1 828032369 RFBSUMUQRXYZJT-UHFFFAOYSA-N 260.301 0.473 0 50 CCAA COC[C@H](OC(=O)c1ccc2nc[nH]c2c1)C(=O)OC 585136067 ORHYQPVFKTXRSX-NSHDSACASA-N 278.264 0.908 0 50 CCAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H]1C1CC1 670473070 WVGWDCAKFXWVDE-NEPJUHHUSA-N 260.293 0.328 0 50 CCAA O=C(Cc1cccnc1)NCCN1CCCC[C@@H]1CO 670440508 QGHKJVFTZWIWFX-CQSZACIVSA-N 277.368 0.587 0 50 CCAA C=CC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 1353214958 OMYHFJZRGVFGIE-CYBMUJFWSA-N 274.368 0.894 0 50 CCAA O=C(c1cnc(C2CC2)nc1)N1CC[C@H](CO)[C@H](O)C1 1362339944 XPJFNVAEQYMVEZ-ZYHUDNBSSA-N 277.324 0.169 0 50 CCAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1C[C@@H](O)[C@H](F)C1 952990570 UYGYFNBCJMGZMB-GHMZBOCLSA-N 276.271 0.627 0 50 CCAA C[C@H](CCN(C)S(=O)(=O)c1cn[nH]c1)N1CCCC1 952860114 FBXGBTVGIIJSPT-LLVKDONJSA-N 286.401 0.905 0 50 CCAA C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@]1(O)C1CCC1 1565526190 IHZKNQJQGHRGFD-LKFCYVNXSA-N 277.324 0.393 0 50 CCAA CN(C)C(=O)N1CCC(C(=O)N2C[C@H]3CCN[C@H]3C2)CC1 1565507917 FUFGXHNLFSERQL-OLZOCXBDSA-N 294.399 0.200 0 50 CCAA COCC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565512647 QBVDSVNTSOVSCU-QWRGUYRKSA-N 286.353 0.580 0 50 CCAA COc1cc(N2C[C@@H](C)O[C@]3(CCOC3)C2)ncn1 280283501 PWEHNBFGMNVPIB-ZWNOBZJWSA-N 265.313 0.869 0 50 CCAA CO[C@@H]1CN(Cc2ccn(C)c2)C[C@H]1c1cnn[nH]1 668576967 KWWXSNZGWISMSZ-WCQYABFASA-N 261.329 0.758 0 50 CCAA CC(=O)N[C@@H]1C(=O)N(c2nc3cccnc3s2)N=C1C 634608235 VRMSRYBYFCGVMM-VIFPVBQESA-N 289.320 0.919 0 50 CCAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 189045181 NNERLBXHVXPKIV-FOGDFJRCSA-N 268.357 0.832 0 50 CCAA CC1(C)C(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1(C)C 585079694 HWIQBYRLUNYMRA-QMMMGPOBSA-N 281.356 0.773 0 50 CCAA Cn1ccc(C2CCN(c3nccnc3C(N)=O)CC2)n1 895643000 MYFVBHBBOMIHLN-UHFFFAOYSA-N 286.339 0.693 0 50 CCAA CC[C@@H](C(=O)O)N1CCN(Cc2ccon2)CC1 191435747 FUBLIZNOKUKQQI-NSHDSACASA-N 253.302 0.655 0 50 CCAA Cc1ncccc1CN1C(=O)N[C@@]2(CCOC2)C1=O 685580591 XRUSGQQSWXWGOH-CYBMUJFWSA-N 261.281 0.601 0 50 CCAA Cc1nnc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)s1 573868215 XEKJXVLFAPLSOA-SCZZXKLOSA-N 280.353 0.634 0 50 CCAA C[C@@](O)(CN1CC[C@@H](S(N)(=O)=O)C1)c1ccccc1 772225892 IIRLJCDCZPVBJK-CHWSQXEVSA-N 284.381 0.257 0 50 CCAA Cc1occc1CN(C)S(=O)(=O)c1cn(C)nn1 1615604902 FTSBJFXNHDQPFC-UHFFFAOYSA-N 270.314 0.537 0 50 CCAA CN(Cc1ccc2c(c1)OCO2)C(=O)c1c[nH]nn1 108286189 XXKKDOXOGRWTBV-UHFFFAOYSA-N 260.253 0.806 0 50 CCAA CC(C)c1cc(CN(C)[C@@H]2CS(=O)(=O)C[C@H]2O)no1 1506405503 BYLSIOUJNAIDCW-GHMZBOCLSA-N 288.369 0.388 0 50 CCAA CN(CCCCC(=O)O)C[C@H]1CCCN(CCO)C1 1529133848 KYAGIJOQDGBNNH-CYBMUJFWSA-N 272.389 0.877 0 50 CCAA O=C(CS(=O)(=O)C1CCOCC1)N1CCCCC1 407994808 DOUDQEKAZWTKJM-UHFFFAOYSA-N 275.370 0.593 0 50 CCAA CC(C)(C)NC(=O)CN1CCS(=O)(=O)C[C@@H]1C1CC1 331420988 DZPITJICISQZPJ-LLVKDONJSA-N 288.413 0.410 0 50 CCAA O=C(CC1(O)CCC1)N1CCCC[C@H]1Cc1nn[nH]n1 1875392486 FJZIJWXVWBYNGO-JTQLQIEISA-N 279.344 0.428 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1cn(-c2ccccc2)nn1 124517454 IOMQJUOKKCJDQS-LLVKDONJSA-N 271.324 0.701 0 50 CCAA CCN(CC)C(=O)CSc1nc(O)cc(=O)n1C 18192364 NCOZDCLQADDNRO-UHFFFAOYSA-N 271.342 0.446 0 50 CCAA COCCN1CC[C@H](CN(C)c2n[nH]c(=N)s2)C1 1857672923 MMYSDFNAZJDPRY-SECBINFHSA-N 271.390 0.355 0 50 CCAA Nc1cncc(N2CCC(O)(CN3CCCC3)CC2)n1 1857680882 XIPMCVBQPUOSAF-UHFFFAOYSA-N 277.372 0.486 0 50 CCAA Cc1cnnc(N2CC[C@@H](CS(N)(=O)=O)C2)c1C 1857731677 WSACHAYXSHSWGA-SNVBAGLBSA-N 270.358 0.208 0 50 CCAA CCC1(O)CN(C(=O)Nc2c(OC)ncnc2N(C)C)C1 332453198 MUJAAPJWZPXSPX-UHFFFAOYSA-N 295.343 0.540 0 50 CCAA COCCn1ccc(=NC(=O)N2CCC[C@@](C)(O)CC2)[nH]1 331530375 WJVYJGDVGFCTNI-CQSZACIVSA-N 296.371 0.720 0 50 CCAA CCc1nnc(N2C[C@@H]3CC[C@H](C2)C(=O)N3CCOC)o1 247833855 ILZZWUVCKSSQQT-MNOVXSKESA-N 294.355 0.706 0 50 CCAA COc1cccc(CN2CC[C@@H]3OCC(=O)N[C@@H]3C2)c1F 253397261 UYFAVQOEYPYGJN-NEPJUHHUSA-N 294.326 0.924 0 50 CCAA CN(CCOCc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O 384024695 QIXKVHPBFZWXQF-KBPBESRZSA-N 299.392 0.293 0 50 CCAA CN(C)CC1(C(=O)N2CCC[C@@H]2c2nn[nH]n2)CC1 900390371 MNNYEABPUBPEJL-SECBINFHSA-N 264.333 0.205 0 50 CCAA O=C(N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O)[C@@H]1CCOC1 1875292070 VNPJPMYRQCFFOA-ISUQUUIWSA-N 253.298 0.638 0 50 CCAA O=S(=O)(N1CCCCCC1)N1CC[C@H]2CCNC[C@H]21 1875268544 LHEIECBSTBFUEV-CHWSQXEVSA-N 287.429 0.791 0 50 CCAA CC(C)CN(C)c1ccc(C(=O)N2C[C@@H](N)[C@H](N)C2)cn1 1875270244 ZACXAALDDNOKQJ-CHWSQXEVSA-N 291.399 0.284 0 50 CCAA O=C(Cn1cnc2ccccc21)NO[C@@H]1CCOC1 1875259427 NGCKXYBCFPUOLI-SNVBAGLBSA-N 261.281 0.873 0 50 CCAA CN(C)C/C=C/C(=O)NC1CCC(C(=O)N(C)C)CC1 1875377012 PQDYZNOKEUCZKP-AATRIKPKSA-N 281.400 0.867 0 50 CCAA CN(C)C/C=C/C(=O)N[C@H]1CCO[C@H](c2cnn(C)c2)C1 1875375650 HXOVNCZOSWYVJS-CTXXGXLOSA-N 292.383 0.874 0 50 CCAA Cc1cnc(NCc2nc([C@H]3COCCN3C)n[nH]2)nc1 888098289 DMKBZJNEYFHTRQ-SNVBAGLBSA-N 289.343 0.518 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1ncc2ccccn12 889185916 ZBHGXAYBWAROFS-VXGBXAGGSA-N 275.308 0.868 0 50 CCAA CCn1cc(S(=O)(=O)NCC23CC(CN2C)C3)cn1 1776005230 BSMWEXOBVGFVNU-UHFFFAOYSA-N 284.385 0.276 0 50 CCAA Cc1cccc(Cc2noc(CCNC(=O)CO)n2)c1F 1776006805 WCIPPCVEKDSVNA-UHFFFAOYSA-N 293.298 0.759 0 50 CCAA OCC(F)(F)CNc1cc(N2CCOCC2)ncn1 277949557 XNTITOYBDNBZMA-UHFFFAOYSA-N 274.271 0.353 0 50 CCAA CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ncc[nH]1 647900827 VMFBRIGVKOTQOI-QWRGUYRKSA-N 284.385 0.657 0 50 CCAA CC[C@H](C(=O)O)N1CCN([C@H]2CCC[C@@H]2O)CC1 364928708 DGLOPLQJFYEMAW-WOPDTQHZSA-N 256.346 0.381 0 50 CCAA O=S1(=O)CC[C@H](CCN2C[C@H]3C[C@H](O)C[C@H]3C2)C1 1775982307 JHYUPTDEBBALNZ-WUHRBBMRSA-N 273.398 0.514 0 50 CCAA Cc1cnc2n1CCN(C(=O)Cn1nnc3ccccc31)C2 2325781520 ZPMHPXMSWFPZGD-UHFFFAOYSA-N 296.334 0.979 0 50 CCAA O=C(N[C@@H]1CS[C@@H](C(=O)O)C1=O)c1ccccc1 191735 TUQYCYZBIRJGAQ-PSASIEDQSA-N 265.290 0.554 0 50 CCAA COCCNC(=O)[C@@H]1CC(c2cccc(OC)c2)=NO1 4101134 XLXQQDSPAOLFIO-ZDUSSCGKSA-N 278.308 0.951 0 50 CCAA CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2O)O1 4353179 KEJGAYKWRDILTF-OEZYJKACSA-N 260.286 0.375 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N(C)CCc2ccncc2)N(C)C1 344358602 CJBOCKJYAJMNOX-KBPBESRZSA-N 277.368 0.802 0 50 CCAA CCCCOC[C@@H]1C[C@@]2(SC(N)=NC2=O)C(=O)O1 32498112 RHCXEJOXBSSRKO-CPCISQLKSA-N 272.326 0.446 0 50 CCAA COCC[C@@H]1CN(C(=O)c2cc(C)nc(C)n2)CCO1 65373622 ZOUPKERKBNNKSU-GFCCVEGCSA-N 279.340 0.971 0 50 CCAA Cc1nonc1CC(=O)NCc1cccc(-c2nnn[nH]2)c1 219851420 BGGRPXKSBRJJHO-UHFFFAOYSA-N 299.294 0.417 0 50 CCAA CN(CCCN)S(=O)(=O)CCc1cccs1 253415994 IOMKHARFRMLZRV-UHFFFAOYSA-N 262.400 0.901 0 50 CCAA CCN(Cc1nccn1C)C(=O)CN1CCCN(C)CC1 219014053 JYCKVOBQSGEDDA-UHFFFAOYSA-N 293.415 0.406 0 50 CCAA O=C(COCc1ccccc1)NC1(C(=O)O)CCOCC1 131745670 OQAQGZFNLKKDRA-UHFFFAOYSA-N 293.319 0.953 0 50 CCAA CC(C)n1ncnc1Cn1ccnc1S(C)(=O)=O 332678896 RYHBBKHFMSVVEH-UHFFFAOYSA-N 269.330 0.507 0 50 CCAA CC(C)n1cnc(C(=O)N2C[C@H](C)N(CCO)[C@H](C)C2)c1 456228595 DBKDIZZYCLJBAH-BETUJISGSA-N 294.399 0.991 0 50 CCAA CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCCC1 336492107 VBWWURPMJPXATO-NSHDSACASA-N 289.401 0.606 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2coc(C)c2)C1 284714867 ZGHXRGDDNJPAJL-UWVGGRQHSA-N 252.270 0.303 0 50 CCAA CCOC(=O)[C@H](C)CNC(=O)C[C@H]1CSCCN1 132967066 WNCTWTYSFFDMCC-ZJUUUORDSA-N 274.386 0.397 0 50 CCAA O=C1N[C@@H]2CCC[C@@H]1CN(Cc1cc3n(n1)CCNC3)C2 199715017 JXMMEPMVNTZSJY-VXGBXAGGSA-N 289.383 0.087 0 50 CCAA Cc1cc(=O)cc(C(=O)N2CC[C@H](N(C)C)[C@@H](O)C2)o1 220337438 ZYYZZTGQDVONJV-RYUDHWBXSA-N 280.324 0.085 0 50 CCAA CN1CCC[C@@H](C(=O)NCCc2nnc(N)s2)C1 222318868 MCGVVVXTGPJKLF-MRVPVSSYSA-N 269.374 0.121 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cnc(N)nc1C 223861609 OKUOHCZYDOLOCA-GMNPVEAJSA-N 292.339 0.147 0 50 CCAA Cc1nc(O)cc(CCNC(=O)c2ccc(O)cn2)n1 222683453 IJWJSMWTVPTAMN-UHFFFAOYSA-N 274.280 0.564 0 50 CCAA CC(C)c1nc(CCNC(=O)Cc2nc(O)n[nH]2)cs1 426440271 KKTGXUNREUWZJD-UHFFFAOYSA-N 295.368 0.992 0 50 CCAA C[C@@H]1CN(C(=O)CCCn2cncn2)CC[C@]1(C)O 91452793 RHVHSSHZWGXSKD-YPMHNXCESA-N 266.345 0.678 0 50 CCAA Cc1ccc(CN2CCN(C(=O)CO)C[C@@H](O)C2)cc1C 97729989 BMSPBGKDNGFIEX-HNNXBMFYSA-N 292.379 0.301 0 50 CCAA NC[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 183136500 QHHVALQFZFPZGG-VIFPVBQESA-N 284.337 0.385 0 50 CCAA COCCOCC(=O)N[C@H](c1nccn1C)C(C)C 299795391 MRAFOZOCVHVVAS-LBPRGKRZSA-N 269.345 0.896 0 50 CCAA CC(C)c1nc(CCNC(=O)CNC(=O)N(C)C)no1 299773734 FLTSGMLKKISNCF-UHFFFAOYSA-N 283.332 0.123 0 50 CCAA O=C(NCCCN1CCCC[C@@H]1CO)[C@H]1CC[C@H](O)CC1 828710835 MASPJPYDPUWXHH-RBSFLKMASA-N 298.427 0.891 0 50 CCAA Cc1nccn1C[C@H](C)NCCSc1nnnn1C 821495570 HXYQHNGJOLGTSO-VIFPVBQESA-N 281.389 0.485 0 50 CCAA COCCC(=O)NCC[C@@H](C)N1CCN(C)CC1 824371967 LIPXLMSXVBLYAN-GFCCVEGCSA-N 257.378 0.165 0 50 CCAA C[C@H](O)[C@@H](N)C(=O)NCC1CCN(C2CCCC2)CC1 827511582 WQWDMNJQPKNQAV-SMDDNHRTSA-N 283.416 0.465 0 50 CCAA CN1CCN(C)[C@@H](CNC(=O)CCCN2CCCC2)C1 584904172 NPZUGCALXBQVJB-AWEZNQCLSA-N 282.432 0.224 0 50 CCAA CNC(=O)[C@H]1CCCN(C(=O)c2cc(C)ncc2O)C1 584896972 AKPYSMQVJQXJAI-JTQLQIEISA-N 277.324 0.694 0 50 CCAA O=C1CCCN1CCN1CCCN(C(=O)C2CCC2)CC1 670462241 REPDIKXTJYSZNJ-UHFFFAOYSA-N 293.411 0.943 0 50 CCAA CCCN1CCC(CCNC(=O)[C@H]2CCN2)CC1 670450915 FNQJESRQKLTDLL-CYBMUJFWSA-N 253.390 0.977 0 50 CCAA C[C@@H](O)[C@@H](O)CNC(=O)c1ccc(Cn2cccn2)cc1 871125587 OSJFDLZVGAMQDR-RISCZKNCSA-N 289.335 0.403 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2c1ncnc2scnc12 1875272099 CEMIGKJGMPGNGB-HTQZYQBOSA-N 275.337 0.801 0 50 CCAA CN(C)C(=O)[C@@H]1CCCN1c1nc(N)nc(C(C)(C)C)n1 891618781 HDZAPSYNDAUQBZ-VIFPVBQESA-N 292.387 0.808 0 50 CCAA C[C@H]1CC[C@H](CS(=O)(=O)N(C)CC(=O)N(C)C)C1 1775989962 HLDXMVADDNSKKN-QWRGUYRKSA-N 276.402 0.772 0 50 CCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1Nc1ncnc2[nH]cnc12 1565512540 REESTMPCZDEJEV-DKIAZLNASA-N 288.311 0.057 0 50 CCAA COc1nc(N)ncc1I 59268682 OGPLWJLJGDVYNZ-UHFFFAOYSA-N 251.027 0.672 0 50 CCAA in-vitro Cc1csc(S(=O)(=O)N[C@@H]2CCC(=O)NC2=O)c1 1475121268 XJMCWIKYEIRQLA-SSDOTTSWSA-N 288.350 0.140 0 50 CCAA Cc1ncncc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 408062401 HERGFWFVSFBWKG-IACUBPJLSA-N 291.351 0.787 0 50 CCAA CC1(C)CN(S(=O)(=O)NCc2cccnc2)CCO1 408123067 NBWNCEXSIGNKDK-UHFFFAOYSA-N 285.369 0.527 0 50 CCAA Cc1ccncc1S(=O)(=O)NC(=O)C1(C)COC1 408496137 GZHXYSJLBWEOPP-UHFFFAOYSA-N 270.310 0.231 0 50 CCAA CC1(C(=O)NCc2cccnc2-n2ccnc2)COC1 272853224 QSKVMKOGKLYZGA-UHFFFAOYSA-N 272.308 0.920 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1CCC[C@@H]1c1ncc[nH]1 584969701 HTLQIPQGOHUEIA-CYBMUJFWSA-N 297.123 0.605 0 50 CCAA CC(=O)N1CCC[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 564570500 GPOJMFWGWMSVCG-LBPRGKRZSA-N 290.367 0.818 0 50 CCAA COC[C@@H]1[C@H](NC(=O)c2cnc(C)nc2)[C@H]2CCO[C@@H]12 1074605005 CSUULRDALJFVKY-FDYHWXHSSA-N 277.324 0.565 0 50 CCAA Cc1cc(CC(=O)N2CCC(c3nc(O)n[nH]3)CC2)on1 571928875 IKNOWCLZOZFYDU-UHFFFAOYSA-N 291.311 0.755 0 50 CCAA COc1nc(C)cc(N[C@@H]2C[C@H](C(=O)O)C[C@@H]2O)n1 662895989 HSGKIHPIZVVJCJ-YIZRAAEISA-N 267.285 0.430 0 50 CCAA C[C@H](N)C1CCN(C(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)CC1 579822808 XILOUPHCGOCJNT-WCFLWFBJSA-N 293.411 0.687 0 50 CCAA Nc1nc2c(c(C(=O)N3C[C@@H](O)[C@H](F)C3)n1)CCCC2 1506403067 QKFXFBLCAGFCAW-PSASIEDQSA-N 280.303 0.092 0 50 CCAA Cn1cnc(C(=O)N[C@H]2CC[C@@H](S(C)(=O)=O)CC2)c1 1857528543 LDAUUTMMDUQMGA-AOOOYVTPSA-N 285.369 0.506 0 50 CCAA CNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529172483 IIFKUUKCMGELNY-OLZOCXBDSA-N 275.308 0.259 0 50 CCAA CC[C@]12COC(=O)N1CCN(CCc1nccn1C)C2 1857678728 QEWAGILZCRZRKU-AWEZNQCLSA-N 278.356 0.879 0 50 CCAA CS(=O)(=O)CC(=O)N1CC(c2ccncc2)C1 1857706366 HEZYIUWEZQFLQG-UHFFFAOYSA-N 254.311 0.052 0 50 CCAA COC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1 858656 CAHAJDISWKKXQK-UXBLZVDNSA-N 276.248 0.419 0 50 CCAA Cc1cc(C)n(CCCNC(=O)C2(C(=O)O)CC2)n1 154755226 NASNNMRKLJWCFL-UHFFFAOYSA-N 265.313 0.871 0 50 CCAA O=C1CN(C(=O)c2cn(C3CCCCC3)nn2)CCN1 11771316 OXECVFNCIAIMAM-UHFFFAOYSA-N 277.328 0.355 0 50 CCAA O=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N1CCCO1 15075098 KBRCMAQHLCXJKW-GFCCVEGCSA-N 293.323 0.134 0 50 CCAA COc1ccccc1OCC(=O)NCCN1CCOCC1 19891040 ULVROAALSTWXDR-UHFFFAOYSA-N 294.351 0.522 0 50 CCAA O=C(CCCn1cncn1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857712430 YYWWSWVGANVSMB-AGIUHOORSA-N 294.355 0.057 0 50 CCAA CN(CCC(N)=O)C(=O)Cc1nnc(O)c2ccccc12 1875256999 WYNNNHGHEVCBMX-UHFFFAOYSA-N 288.307 0.212 0 50 CCAA Cc1noc(CCCC(=O)N2C[C@@H](C)N[C@H](C)C2)n1 154084823 SYGDLQYFRFPTRP-NXEZZACHSA-N 266.345 0.910 0 50 CCAA CC1(C)C(=O)NCCN1C(=O)Cc1cccc(C(=O)O)c1 262137659 ICSFJFNRZRGEGK-UHFFFAOYSA-N 290.319 0.664 0 50 CCAA Cc1ccc(C(=O)NCC2(C(=O)O)CCOCC2)n1C 165928544 GJRPZMREHRVCHF-UHFFFAOYSA-N 280.324 0.945 0 50 CCAA CC[C@@H](C)[C@@H](N)C(=O)N1CCOC2(CCOCC2)C1 182590805 HJXIAZWYFGXWTQ-VXGBXAGGSA-N 270.373 0.768 0 50 CCAA Cn1ccc(C(=O)N2CCc3n[nH]cc3C2)cc1=O 328913660 PQYJCZBXBFCLJF-UHFFFAOYSA-N 258.281 0.307 0 50 CCAA COc1ccnc(CN2C[C@@H](OC)C[C@H]2CO)c1 330522805 AUXBWGUDOVCLCT-AAEUAGOBSA-N 252.314 0.672 0 50 CCAA Cn1cccc(C(=O)N[C@H](C(=O)O)C(C)(C)C)c1=O 426711525 YACBCMSNONSJPR-SECBINFHSA-N 266.297 0.614 0 50 CCAA O=S(=O)(CC1CCC1)NC[C@H]1CNCCCO1 333536141 KBNJJYQLCXKZEX-LLVKDONJSA-N 262.375 0.084 0 50 CCAA C[C@@H](O)CN(CCO)CC(=O)Nc1ccc(F)cc1 336810051 GXSPRPZOBSSNKD-SNVBAGLBSA-N 270.304 0.439 0 50 CCAA CN(C)CC1(O)CCN(C(=O)[C@]2(C)CCCCO2)CC1 584891350 MZPXXOKYMRRMFD-AWEZNQCLSA-N 284.400 0.861 0 50 CCAA CC(C)(C)OC[C@H](O)CN[C@]1(CC(=O)O)CCCOC1 2325790423 KIMSABYMAXBIOJ-RISCZKNCSA-N 289.372 0.776 0 50 CCAA CCN([C@@H](C)C(=O)O)S(=O)(=O)N(C)C1CCOCC1 899564193 GOBWFRUPWHUUMW-VIFPVBQESA-N 294.373 0.137 0 50 CCAA C/C=C/C1=C(Cl)[C@H](O)[C@H](O)[C@@]1(Cl)C(=O)OC 2332922386 ZRPNJWJXWPDDRB-PCRAHQCBSA-N 267.108 0.941 0 50 CCAA C[C@@H]1C[C@H](C(=O)O)CCN1C(=O)CNC(=O)C(C)(C)C 235312445 AWNLYLAOGWPGGP-NXEZZACHSA-N 284.356 0.860 0 50 CCAA O=C(NN1CCOCC1)c1cc2ccccc2oc1=O 439242 SMZNYFDTQSHYES-UHFFFAOYSA-N 274.276 0.770 0 50 CCAA O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)c1n[nH]c2c1COCC2 2356134989 LOPMCOOVPZFLPI-DTORHVGOSA-N 293.323 0.856 0 50 CCAA CCC(=O)N1CCC[C@@]12CCCN(CCO)C2=O 2356154583 AWLOFXLMAFZCPX-CYBMUJFWSA-N 254.330 0.372 0 50 CCAA O[C@H]1CN(Cc2cncnc2)CC[C@]1(O)c1ccccc1 2356162619 NLOXVJRNBDPDLW-HOTGVXAUSA-N 285.347 0.931 0 50 CCAA CCn1nccc1C(=O)N1C[C@H]2COC[C@@]2(COC)C1 2356169206 NAOAZWQMMXIYQR-FZMZJTMJSA-N 279.340 0.638 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O 4763179 YUUGKJGNJNCMLU-XDTLVQLUSA-N 293.367 0.278 0 50 CCAA Cn1c(=O)c2c(nc3[nH]c(C(C)(C)C)cn32)n(C)c1=O 6665272 ZFYWQQAUDHPVRY-UHFFFAOYSA-N 275.312 0.511 0 50 CCAA CN(C)c1nc(Oc2ccc(O)nn2)nc(N(C)C)n1 8721015 SKPQZFJWNMNPKF-UHFFFAOYSA-N 277.288 0.292 0 50 CCAA C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccnc1 247318253 ONDADLCNZLLWQH-RYUDHWBXSA-N 281.381 0.939 0 50 CCAA C/C(=C\C(=O)N1C[C@H](n2ccnn2)[C@H](N(C)C)C1)C1CC1 862941376 BVCZFJNRJSAKNO-GELOPOQCSA-N 289.383 0.948 0 50 CCAA O=C(NCCCn1ccccc1=O)[C@@H]1CCOC1 66942683 ULGNZMFFLACCTA-LLVKDONJSA-N 250.298 0.391 0 50 CCAA Cc1ncc(C(=O)N2CCC[C@H](N)CC2)c(=O)[nH]1 218955069 VWPIZBGYHJHGGO-VIFPVBQESA-N 250.302 0.032 0 50 CCAA C[C@@H]1CCN[C@@H](C(=O)NCC(=O)N2CCCC2)C1 127640615 ZERQQIDYZQCLCP-GHMZBOCLSA-N 253.346 0.113 0 50 CCAA CCN1C[C@H](C(=O)N2CC(OC(F)F)C2)CC1=O 437568596 LRTGISGYKYYBAV-SSDOTTSWSA-N 262.256 0.305 0 50 CCAA CN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 153092834 IKQHVDKKXWUTKY-BXUZGUMPSA-N 290.319 0.749 0 50 CCAA Cn1nnnc1CN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 331615258 OBJYIIQLWFPGJU-CABZTGNLSA-N 295.293 0.796 0 50 CCAA O=C(CN1CCOC1=O)NC[C@H]1OCCc2ccccc21 215160853 KBXLHAYHERFVJY-CYBMUJFWSA-N 290.319 0.869 0 50 CCAA CC1(C)C[C@@H]1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 370976847 UYOYDYYXIBFNFW-SFYZADRCSA-N 251.290 0.146 0 50 CCAA CCCCCOCC(=O)N1CC[C@H](CC(N)=O)C1 377186262 UURIXIYGALHWRR-LLVKDONJSA-N 256.346 0.917 0 50 CCAA CCN(C(=O)Cn1ncc2ccccc21)[C@H]1COC[C@@H]1O 219761309 LUHZYRTVHRYUIA-KBPBESRZSA-N 289.335 0.645 0 50 CCAA Cc1cnc(CN(C)C(=O)CN2CCOC2=O)[nH]1 215270879 VJNXMJHXRADAMT-UHFFFAOYSA-N 252.274 0.129 0 50 CCAA COCCN1CCC(Nc2nccc(CO)n2)CC1 341426383 PTUSVBBBCCEZII-UHFFFAOYSA-N 266.345 0.492 0 50 CCAA O=C(O)CN1CCN(C2Cc3ccccc3C2)C[C@H](O)C1 225320817 OJUYXRXVHJRBOI-OAHLLOKOSA-N 290.363 0.217 0 50 CCAA Cc1c(C(=O)NCCN2CCOCC2)ccn1C 194921092 PJBZCQWMGOIRSV-UHFFFAOYSA-N 251.330 0.396 0 50 CCAA CN1CCO[C@H](C(=O)N2CCC[C@@H]2c2ccc(O)nn2)C1 530074842 FCVUIXIDZSGPNY-NEPJUHHUSA-N 292.339 0.176 0 50 CCAA CCNS(=O)(=O)N1CCS[C@H]2COCC[C@@H]21 178455215 AZYTWEFFYXVAOR-IUCAKERBSA-N 266.388 0.047 0 50 CCAA CN(C[C@H](O)Cc1ccccc1)S(=O)(=O)C1COC1 292881981 CRPWWINKJBMLAH-GFCCVEGCSA-N 285.365 0.250 0 50 CCAA COCC[C@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 91782239 XAEBMMAGCWIUBS-CYBMUJFWSA-N 267.329 0.661 0 50 CCAA O=C(c1cnn2ccccc12)N1CCC[C@H](OCCO)C1 332008578 RWJWRUBHHNIJJM-LBPRGKRZSA-N 289.335 0.948 0 50 CCAA C[C@@H](C(=O)Nc1nc[nH]n1)n1cnc2ccccc2c1=O 249700653 XRJOOPUEQSPZHO-QMMMGPOBSA-N 284.279 0.714 0 50 CCAA CN1C[C@@H](C(=O)NCCn2cccn2)[C@H](C(F)(F)F)C1 299746687 ZCOOPVLVJUUCPD-NXEZZACHSA-N 290.289 0.739 0 50 CCAA CN(CC(=O)O)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 299753821 ZMAHMVAYRNKBMG-QPUJVOFHSA-N 296.348 0.811 0 50 CCAA CSC[C@@H](C)C(=O)N1CCO[C@@H](CC(=O)O)C1 299738371 KTJNTKCFUSSUQR-BDAKNGLRSA-N 261.343 0.688 0 50 CCAA COCCN(CC(=O)O)C(=O)C1CCSCC1 299753655 YWZLAFVBTPGFLB-UHFFFAOYSA-N 261.343 0.689 0 50 CCAA COCC(C)(C)CNC(=O)[C@H]1CSC(C)(C)C(=O)N1 534640110 OSLIMBLKNQDAOV-SECBINFHSA-N 288.413 0.785 0 50 CCAA COC[C@@H](CO)NC(=O)c1c(C)n(C)c2ccc(O)cc12 534582533 SXZJNEHIHHXFHF-SNVBAGLBSA-N 292.335 0.929 0 50 CCAA CN(C)C[C@@H](O)CNC(=O)c1cccc2c1CCC2=O 534581889 YZXLMXKAHHDAQZ-JTQLQIEISA-N 276.336 0.468 0 50 CCAA O=C(C[C@H]1CNCCO1)NCc1nc2cc(F)ccc2[nH]1 269246032 DOKVKYNXPLGKCR-JTQLQIEISA-N 292.314 0.697 0 50 CCAA COC[C@H](NC(=O)N1CCSCC1)c1ccnn1C 534587254 WHORWFLWSVPJJM-JTQLQIEISA-N 284.385 0.866 0 50 CCAA CC(C)S(=O)(=O)Nc1ncc(C(=O)O)s1 720013735 DITLBMZSEDRCGN-UHFFFAOYSA-N 250.301 0.991 0 50 CCAA Cc1cc(CN(C)C(=O)CS(C)(=O)=O)ccn1 827884224 ZZZIIQUHPYKLQY-UHFFFAOYSA-N 256.327 0.393 0 50 CCAA O=C(Cn1cccc1)NCCN1CCCC[C@H]1CO 670435767 KVPPVNLNGWCWCP-ZDUSSCGKSA-N 265.357 0.451 0 50 CCAA Cc1cc(O)nc(CCNC(=O)CCc2cnn(C)c2)n1 584890604 KJBIQMIKFRJUPX-UHFFFAOYSA-N 289.339 0.516 0 50 CCAA CC[C@@H]1C[C@H]1C(=O)N[C@H]1CC(=O)N(c2cnn(C)c2)C1 1875286590 WNUAUGNSKSJIAY-JFGNBEQYSA-N 276.340 0.688 0 50 CCAA COCC(=O)N1CCC(NC(=O)N[C@H]2C[C@H](OC)C2)CC1 888099951 ILXHKNXNMWBDDR-HAQNSBGRSA-N 299.371 0.100 0 50 CCAA O=C1NC[C@@H](O)CC12CCN(c1ncncc1Cl)CC2 896336024 XEGNKJXUQBGJEV-VIFPVBQESA-N 296.758 0.597 0 50 CCAA C[C@H](Nc1nccn2cnnc12)C(=O)NC(C)(C)C 134798121 AHRFQPRJEAEQRD-QMMMGPOBSA-N 262.317 0.839 0 50 CCAA CSc1ccc(S(=O)(=O)N2C[C@H](N)[C@@H](O)C2)cc1 1565515651 MCLKHHXDRLNRHD-QWRGUYRKSA-N 288.394 0.101 0 50 CCAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1nc[nH]n1 1565526176 NOLPLUUEAXKIAP-UWVGGRQHSA-N 289.295 0.166 0 50 CCAA C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccncn1 275509357 ZKCCPLMYHSIUEK-LLVKDONJSA-N 278.356 0.394 0 50 CCAA CC(C)CN1CC(=O)N(CCCS(C)(=O)=O)C1=O 170592516 JSFLCBWEGCSOAI-UHFFFAOYSA-N 276.358 0.341 0 50 CCAA CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)C[C@H]1CCCO1 407990055 MVCHVNQNHREPJY-UTUOFQBUSA-N 283.372 0.864 0 50 CCAA CNC(=O)NCC(=O)N1CCCC12CCN(C)CC2 408073953 YPKMRIORSBYFOM-UHFFFAOYSA-N 268.361 0.002 0 50 CCAA CCc1cc(N2CCC(S(N)(=O)=O)CC2)nc(C)n1 408175197 XVEFYSVAQBTBRK-UHFFFAOYSA-N 284.385 0.605 0 50 CCAA COCc1ccc(C(=O)OCCNS(C)(=O)=O)cc1 730599127 YZKNDRYSQNAHAB-UHFFFAOYSA-N 287.337 0.539 0 50 CCAA COCCN(C)S(=O)(=O)Nc1cnn2ccccc12 585118845 FANLGQGEUDYLPP-UHFFFAOYSA-N 284.341 0.569 0 50 CCAA O=C(CCNC(=O)N1CCC[C@H](CO)C1)N1CCCCC1 193428227 LRSHRIPGZGZTSM-ZDUSSCGKSA-N 297.399 0.803 0 50 CCAA C[C@H]1NC(=O)N(CCN2CCOc3ccccc3C2)C1=O 656417047 LJMAZVBWPIFFDA-LLVKDONJSA-N 289.335 0.821 0 50 CCAA C[C@@H](CNCc1c(C(F)(F)F)cnn1C)S(C)(=O)=O 657416682 PKLDYOOGKPGSOK-ZETCQYMHSA-N 299.318 0.962 0 50 CCAA Cc1cccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)n1 1704315522 IKTMJQMVWSFROX-OCCSQVGLSA-N 275.352 0.679 0 50 CCAA CC(=O)Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2 1547200961 DOIVESVORZSMOU-UHFFFAOYSA-N 272.264 0.622 0 50 CCAA O[C@@H]1CN(c2ncc(F)cn2)C[C@H]1Cc1cnccn1 1704327354 BWKNQNSHXZHKBJ-BXKDBHETSA-N 275.287 0.446 0 50 CCAA CCOC(=O)[C@@](C)(O)CN1CCCc2c(cnn2C)C1 411859718 VEEZNOMRKIWSNP-AWEZNQCLSA-N 281.356 0.482 0 50 CCAA Cc1nc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cn1C 121021367 JGDNYFLJOMMBRW-DTWKUNHWSA-N 273.358 0.526 0 50 CCAA CC(C)c1cc(C(=O)N2CCOC[C@@H]2C(=O)O)on1 262433378 FBVNMRANAREXPX-SECBINFHSA-N 268.269 0.724 0 50 CCAA O=C(Nc1ccccc1)N1C[C@H]2CNC[C@]2(CO)C1 1772709532 NYEXQLJHCZOXBJ-BXUZGUMPSA-N 261.325 0.732 0 50 CCAA NC1=NC(=O)[C@@H](CC(=O)NCc2ccccc2)S1 18136830 DDIPBYADEICMPZ-SECBINFHSA-N 263.322 0.650 0 50 CCAA Cn1nccc1CCC(=O)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857672826 IFMKTEWTIBKHAL-KWCYVHTRSA-N 293.367 0.351 0 50 CCAA O=C(Cn1nc2ccccc2n1)N[C@@H]1C[C@@H]2CC[C@H]1O2 1857699658 XTYSBOIUKVKGAA-ZWKOPEQDSA-N 272.308 0.867 0 50 CCAA Cc1cc(C[C@@H]2CN(CC3COCCOC3)C[C@@H]2O)n[nH]1 1857717908 FENDZWAOUBXSSM-HIFRSBDPSA-N 295.383 0.216 0 50 CCAA Cn1nnc2c(=O)n(C[C@H]3CC3(Cl)Cl)cnc21 842587622 FEEJJDSAQWQFMC-RXMQYKEDSA-N 274.111 0.719 0 50 CCAA CO[C@@H]1CN(Cc2c(Cl)cnn2C)C[C@H]1c1cnn[nH]1 668577188 YBXMMZSUQVDXRV-QPUJVOFHSA-N 296.762 0.806 0 50 CCAA Cc1ncccc1C(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1875248103 ZEGNUWLFRWAMAC-OLZOCXBDSA-N 275.352 0.793 0 50 CCAA O=C(O)c1cccc(N2CCS(=O)(=O)CC2)c1 3884432 QHYKHHRRGZXUKP-UHFFFAOYSA-N 255.295 0.620 0 50 CCAA in-vitro C[C@@H]1C[C@@H](C(=O)N2CCC(n3cnnc3O)CC2)[C@@H](C)O1 632807253 BNIVKIOXOJSTPF-CKYFFXLPSA-N 294.355 0.961 0 50 CCAA CC(C)OCCS(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 189182310 FMAWLSGXFLDFMI-MNOVXSKESA-N 265.375 0.301 0 50 CCAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1ccncc1F 332967590 XBFWAIDEZHKTRR-BDAKNGLRSA-N 263.272 0.714 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nn1ccnn1 685940010 JZRVMOJCIDZPKX-MRVPVSSYSA-N 267.289 0.358 0 50 CCAA COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@@H](C)N 381767587 PMAFZFIVCQBVFA-RNFRBKRXSA-N 292.382 0.549 0 50 CCAA Cc1nc(N(C)C)nc(N2CC[C@@H](O)[C@H](C(=O)O)C2)c1C 2100555362 SHZUMJWUTIQUPI-GHMZBOCLSA-N 294.355 0.431 0 50 CCAA O=C(Nc1ccccn1)[C@@]12CNC[C@]1(F)CCOC2 2325791832 AUSRTWQXVZQARJ-QWHCGFSZSA-N 265.288 0.738 0 50 CCAA CO[C@@H]1CC[C@H]1CC(=O)N1CCc2nn(C)c(=O)cc2C1 2325804540 YJTOXRTTZVUGLX-GXFFZTMASA-N 291.351 0.480 0 50 CCAA COCCN(C)C1CN(C(=O)c2ccc3c[nH]nc3c2)C1 2325810667 WVAFPTVMSBQQJO-UHFFFAOYSA-N 288.351 0.966 0 50 CCAA CN1C[C@]2(C)CN(C(=O)[C@@H]3C4CCN3CC4)C[C@@]2(C)C1 2325811288 LMHVZIXYOZHYAO-NUEKZKHPSA-N 277.412 0.881 0 50 CCAA NC(=O)[C@H](Cc1ccccc1)Nc1ncnc2[nH]cnc12 2325825785 BLZIRELLQSWDKE-JTQLQIEISA-N 282.307 0.861 0 50 CCAA COC(=O)CNC(=O)c1ccc(NC(C)=O)cc1 183815 TUGFYHINOTVYSA-UHFFFAOYSA-N 250.254 0.548 0 50 CCAA biogenic,in-vitro CCOC(=O)CN(CCN1CCOCC1)Cc1ccco1 55212083 UDCLGVWXHZFHAM-UHFFFAOYSA-N 296.367 0.977 0 50 CCAA COC(=O)[C@H]1C2[C@@H]3C4[C@@H]2[C@H]2C([C@H]3C42C)[C@H]1C(=O)OC 104281476 VTUWEGRJJIFTKA-MBBAVGDLSA-N 262.305 0.953 0 50 CCAA CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](O)C1 306131154 JXWHEDYCAWSYQE-SNVBAGLBSA-N 253.302 0.995 0 50 CCAA CC(=O)N[C@H](COC(C)=O)[C@@H](O)c1ccccc1 71771054 DPVWBNJZHVDKKE-OLZOCXBDSA-N 251.282 0.788 0 50 CCAA COCCN(C(=O)c1nccnc1N)[C@@H]1CCO[C@H]1C 331214508 UTPSRTHSTVUHTK-VHSXEESVSA-N 280.328 0.325 0 50 CCAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1C[C@H]2CC[C@H]1CN2 333808771 IWVKCFJWDVJFIH-CSYMLDBXSA-N 251.330 0.452 0 50 CCAA Cn1nnc2ccc(C(=O)N3C[C@@H](F)C[C@H]3CO)cc21 372558741 VLTMPEWTNBIIEO-UWVGGRQHSA-N 278.287 0.513 0 50 CCAA Nc1nc(CNC(=O)CCc2nc3ccccc3[nH]2)n[nH]1 218797392 VCBYTCBOAYIQIX-UHFFFAOYSA-N 285.311 0.512 0 50 CCAA C[C@H](NC(=O)c1cnc2ccccc2n1)c1nc(=O)[nH][nH]1 216054211 HYPOQZULFRRJAG-ZETCQYMHSA-N 284.279 0.532 0 50 CCAA COc1ccc(C)cc1NC(=O)CNC(=O)C(C)(C)N 71777344 KBHJVAQQRBKHIC-UHFFFAOYSA-N 279.340 0.796 0 50 CCAA CN(C(=O)CCc1cscn1)[C@@H]1COC[C@H]1O 286039299 BMKFNCRGAJABJP-NXEZZACHSA-N 256.327 0.294 0 50 CCAA C[C@@H]1OCC[C@]1(O)CNC(=O)c1nc[nH]c2nccc1-2 614205948 ZWDOCVZQLZBQFP-SDBXPKJASA-N 276.296 0.179 0 50 CCAA COc1ccccc1N1CCN(C(=O)[C@H](C)O)CC1=O 82120477 VUJXRKDOVRJEKN-JTQLQIEISA-N 278.308 0.251 0 50 CCAA Cc1nnc2ccc(C(=O)N[C@H]3CCCN(C)C3=O)cn12 530886527 ATMZKDQAUUKVJY-NSHDSACASA-N 287.323 0.388 0 50 CCAA Cc1nc(C(=O)N2CCN(c3ncccn3)CC2)c[nH]1 82268340 RPDRMHWTQOEEBX-UHFFFAOYSA-N 272.312 0.471 0 50 CCAA Nc1cc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)ccn1 92061961 JXJVKTUOVFBZEA-GFCCVEGCSA-N 291.351 0.810 0 50 CCAA O[C@@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)NC(=S)N1 95918512 KTMKCFQWNNBDGJ-QWWZWVQMSA-N 284.181 0.356 0 50 CCAA Cc1nnc(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)s1 91997186 WJJWORMYXRIILT-VIFPVBQESA-N 294.380 0.516 0 50 CCAA Cc1ncc(S(C)(=O)=O)c(NCc2snnc2C)n1 95369918 KFJRLKOHXRXANO-UHFFFAOYSA-N 299.381 0.961 0 50 CCAA Cc1ccc(C(N)=O)cc1NC(=O)N1CCOC[C@H](O)C1 95504950 GKNRBMJBQYKVSF-LLVKDONJSA-N 293.323 0.319 0 50 CCAA Cc1ccc([C@H](C(=O)NCc2n[nH]c(N)n2)N(C)C)cc1 91663211 LTHJFPZZGVRPSS-GFCCVEGCSA-N 288.355 0.614 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)CCn1cccn1 298935865 CSCVYLZBMZRHCZ-LLVKDONJSA-N 264.329 0.400 0 50 CCAA Cc1nnnn1-c1cccc(C(=O)NCCn2cccn2)c1 253411969 PLQKZKSNFYQYJU-UHFFFAOYSA-N 297.322 0.597 0 50 CCAA COCCC1(C(=O)N2CCO[C@@H](C(=O)O)C2)CCC1 299743366 KOQAKIXIVPGESF-SNVBAGLBSA-N 271.313 0.505 0 50 CCAA Cc1cc(C)n(C[C@H](C)NCCc2nc(N)n[nH]2)n1 534585950 YHIRDMMCRFTGEE-VIFPVBQESA-N 263.349 0.421 0 50 CCAA CN1CC2(C1)CN(C(=O)c1n[nH]c3ccccc13)C2 1269684245 AEQYONKUZSPJBP-UHFFFAOYSA-N 256.309 0.951 0 50 CCAA O=C(NCCCN1CCC[C@H](O)C1)c1cncc(O)c1 584903278 UPNOMIFYVFPJBJ-LBPRGKRZSA-N 279.340 0.364 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccc2nnnn2c1 584902904 CNUYPKXQRWJOAV-ZETCQYMHSA-N 285.311 0.955 0 50 CCAA CCCNc1ncc(CN2C[C@H](O)[C@@H](OC)C2)cn1 670444308 NLJMRXIDTQMJEY-RYUDHWBXSA-N 266.345 0.490 0 50 CCAA CCn1cnnc1CN(C)Cc1c(C)nn(CCO)c1C 670454115 ZLSBWRMZXFLQNS-UHFFFAOYSA-N 292.387 0.736 0 50 CCAA CCOCC(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 584897351 LTSDZPLKJFBRAI-RYUDHWBXSA-N 256.346 0.081 0 50 CCAA Nc1nc(CCCNC(=O)Cn2ccccc2=O)cs1 670471689 HSWWLZLOGHOXOD-UHFFFAOYSA-N 292.364 0.636 0 50 CCAA O=C(CCN1CCCC1=O)N[C@H]1CCc2c[nH]nc2C1 670449850 IBWQCSCXMJOUGE-NSHDSACASA-N 276.340 0.396 0 50 CCAA O=C1NC[C@H](C(=O)N2CCC[C@@H]3NCC[C@@H]32)c2ccccc21 877271866 FNIADZQRHZQFBE-KKUMJFAQSA-N 299.374 0.867 0 50 CCAA Cc1noc(=O)n1CCn1cnc2ccsc2c1=O 1875391645 NTJQXZOUWIJKSU-UHFFFAOYSA-N 278.293 0.616 0 50 CCAA C[C@H]1CCCN1C(=O)CNC(=O)/C=C/CN(C)C 1875379055 MIXHNHFXHDKQFE-ZRQQLDRUSA-N 253.346 0.231 0 50 CCAA C[C@@H]1COC[C@@](CO)(CNCc2conc2C2CC2)N1C 1875399496 XXRAPANMCKTAAD-ABAIWWIYSA-N 295.383 0.723 0 50 CCAA C[C@H](NC(=O)/C=C/CN(C)C)C(=O)N1CCCCC1 1875375692 KMWDYBRJKQNUFA-GUOLPTJISA-N 267.373 0.621 0 50 CCAA CCOCCN1CCC[C@@H](CNC(=O)c2ccnnc2)C1 952977459 NAOBSVGPCVNJKA-ZDUSSCGKSA-N 292.383 0.955 0 50 CCAA COC[C@@H]1COCCN1C(=O)c1ncc2c(F)cccn12 886856887 HYDMJJIQJHFVMR-SNVBAGLBSA-N 293.298 0.961 0 50 CCAA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NS(C)(=O)=O)C2 888098715 KIYWBHNTNWSRMP-DDHJBXDOSA-N 276.402 0.015 0 50 CCAA CC(C)(C)OC(=O)N1CC2(CNS(=O)(=O)C2)C1 1775956540 LXRFSHKVRLSEDC-UHFFFAOYSA-N 262.331 0.157 0 50 CCAA O=C(O)CCC1CCN(CC(=O)NC2CC2)CC1 50926135 XBPJAYAOUWZWKI-UHFFFAOYSA-N 254.330 0.842 0 50 CCAA CCc1ccccc1C(=O)NC[C@H]1CCNC[C@@H]1O 1565510049 PDIUBPLXKYRGIF-OCCSQVGLSA-N 262.353 0.949 0 50 CCAA Cc1nnsc1Cn1cnc2onc(C)c2c1=O 631017753 KJSJPDPVYJOASO-UHFFFAOYSA-N 263.282 0.901 0 50 CCAA CC[C@@H](CO)NC(=O)NCc1csc(N(C)C)n1 170602193 NQRQDZDBCNWRPS-QMMMGPOBSA-N 272.374 0.779 0 50 CCAA CC1(C)COCCN1CCNC(=O)c1ccc[nH]1 170864969 BJEVMXMUNSOJOY-UHFFFAOYSA-N 251.330 0.855 0 50 CCAA Oc1nc(N2CCO[C@H]3CCC[C@H]32)nc2[nH]ncc12 280663041 XSVHPSDHIPQMMJ-BDAKNGLRSA-N 261.285 0.816 0 50 CCAA CCCCCOCC(=O)N[C@H]1C(=O)NCC1(C)C 585128073 RCTCKVXQQKYPMQ-NSHDSACASA-N 256.346 0.834 0 50 CCAA Cc1ncn(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c(=O)c1C 222261254 PJJKEOYBVPYVFJ-COPLHBTASA-N 295.383 0.330 0 50 CCAA CCOC1CC2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 671879059 KWXLVVYIVKJJTQ-JKDOVBDQSA-N 268.357 0.929 0 50 CCAA O=C(O)c1cccnc1NCCN1CCC[C@@H](CO)C1 1506396619 LGXZEOCBGJLLES-LLVKDONJSA-N 279.340 0.896 0 50 CCAA CN(C)c1nccnc1NCCN1CCCC[C@@H]1CO 1529191884 HYHNGKLVDDISLJ-GFCCVEGCSA-N 279.388 0.801 0 50 CCAA Cc1nc(N2CC[C@@](O)(CN(C)C)C2)c2[nH]ccc2n1 1857693558 BNOISCWGOKYACX-CQSZACIVSA-N 275.356 0.769 0 50 CCAA CC(=O)N1C[C@@H]2CNC[C@]2(C(=O)N(C)Cc2ccoc2)C1 209821538 KEPDTYSURYCXAR-ZFWWWQNUSA-N 291.351 0.306 0 50 CCAA COc1ccc(F)cc1CN1C[C@H]2COC[C@@H](C1)C(=O)N2 1704306067 VIRWYVQPOCFEES-YPMHNXCESA-N 294.326 0.781 0 50 CCAA Cc1nc[nH]c1C(=O)N1C[C@H](C(=O)O)C2(CCOCC2)C1 1800413113 BCEUNGWMOSASFH-SNVBAGLBSA-N 293.323 0.672 0 50 CCAA Cn1cc(CN2CCCN(C(=O)C3CC3)CC2)nn1 408413848 FDJPMOFVZNKNJG-UHFFFAOYSA-N 263.345 0.259 0 50 CCAA Cc1cnc(C)c(N2CC[C@@H](C(=O)O)[C@@H](O)C2)n1 1615738458 PUSQXKQQBMYSMN-ZJUUUORDSA-N 251.286 0.365 0 50 CCAA CN(C1CCCC1)S(=O)(=O)N[C@H](CO)c1ccccn1 1616036342 JQXDQZIHJSMGTM-CYBMUJFWSA-N 299.396 0.824 0 50 CCAA NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCC1 1616038560 HPAAPQSIOFLVOZ-QWHCGFSZSA-N 292.335 0.723 0 50 CCAA CC(C)N(CC(=O)O)S(=O)(=O)N1CCC[C@@H]1C 262453758 RHLUAAQWPUDYAZ-VIFPVBQESA-N 264.347 0.511 0 50 CCAA Cc1nnc2n1C[C@@H](CNc1nc[nH]c3ncnc1-3)C2 1772806654 DEPYVUGNPNDRPG-MRVPVSSYSA-N 270.300 0.489 0 50 CCAA O=C1CO[C@@]2(CCN(C(=O)c3cncc(Cl)c3)C2)CN1 1772811570 WBZVECPRQOEZMY-ZDUSSCGKSA-N 295.726 0.466 0 50 CCAA CCCCc1ncc(CN2C[C@@H]3[C@@H](C2)C3(CO)CO)[nH]1 1772816716 ZTDFPTQFGDBNNP-CHWSQXEVSA-N 279.384 0.785 0 50 CCAA CC(=O)N1CCCN(C[C@@H]2CCC(=O)N(C)C2)CC1 1775977429 JCIMDUNNAYRFLM-CYBMUJFWSA-N 267.373 0.409 0 50 CCAA O=C(Cc1cccc(O)c1)N1CCOC[C@@H]1c1ncon1 332066264 SVQQMGWTHNTSHZ-GFCCVEGCSA-N 289.291 0.918 0 50 CCAA Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(O)cc2)n1 6025524 CNRMEZLXUXZPIE-UHFFFAOYSA-N 292.320 0.789 0 50 CCAA CC[C@H](COC)NC(=O)CCn1cnc2c(N)ncnc21 669001923 VSYZFYAJPPCDLT-SECBINFHSA-N 292.343 0.340 0 50 CCAA CC(C)c1ccc(C(=O)N2C[C@H](O)C[C@H]2CO)cn1 366642857 OGLJCFSAFBBDRZ-NWDGAFQWSA-N 264.325 0.773 0 50 CCAA O=C(O)C(=O)N1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 396663522 PJXOPPGKBSGXFV-SRVKXCTJSA-N 294.351 0.568 0 50 CCAA CCn1nc(C)c(CN2CCC[C@@]2(COC)C(=O)NC)n1 818192834 ZKZFOSRGBWRZLL-CQSZACIVSA-N 295.387 0.333 0 50 CCAA CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@H]1CC[C@H](N)C1 262632736 NQXXTRZVFANZCG-GARJFASQSA-N 253.346 0.097 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)NCc2ccc(F)cc2)C1 2100534574 OEINDOHCRAWXKE-CHWSQXEVSA-N 266.316 0.755 0 50 CCAA Cc1nc(NCc2nc(O)n[nH]2)c(C)c(-n2cccn2)n1 2325738163 JWNSYHXQGGBDBS-UHFFFAOYSA-N 286.299 0.715 0 50 CCAA NC(=O)OCCNC(=O)c1cc2ccccc2oc1=O 2024095 HPDMQWBWEBMWJO-UHFFFAOYSA-N 276.248 0.618 0 50 CCAA C=COCCNC(=O)C(=O)Nc1cccc(OC)c1 2990016 KXLQKHFVJLLOSB-UHFFFAOYSA-N 264.281 0.910 0 50 CCAA NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 4073391 AJHCSUXXECOXOY-LLVKDONJSA-N 261.281 0.239 0 50 CCAA endogenous,in-man Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1C(C)C 4370457 ZSPIKQVOZYXHOM-UHFFFAOYSA-N 261.285 0.565 0 50 CCAA biogenic COc1cc(C(=O)N2CCNCC2)cc(OC)c1OC 4893995 QYQBLZDLNPLGCY-UHFFFAOYSA-N 280.324 0.758 0 50 CCAA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)NC)C1 6747091 UVZBSLOWBGQOPK-SNVBAGLBSA-N 262.375 0.574 0 50 CCAA C[C@H](C(=O)NCc1cccnc1-n1ccnc1)n1cncn1 29909241 PEBFMDWWSQXNGV-LLVKDONJSA-N 297.322 0.736 0 50 CCAA CC(=O)C[C@@H]1COCCN1S(=O)(=O)C[C@H]1CCCO1 248373169 GYHIMYQDMBJJPK-VXGBXAGGSA-N 291.369 0.175 0 50 CCAA Cc1ccncc1CN(C)CC(=O)N1CCNCC1 135498602 JDDHOFRAJMGACL-UHFFFAOYSA-N 262.357 0.254 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N[C@H](C(=O)O)C1CC1 54503812 ADTMOZZHJCKEJP-NSHDSACASA-N 251.286 0.548 0 50 CCAA CN1CCC[C@@H](CNC(=O)CCN2CCCO2)C1 67755153 XEOSZXCSVHWECH-LBPRGKRZSA-N 255.362 0.472 0 50 CCAA C[C@H]1C[C@@H](NC(=O)c2cnnn2C)C(=O)N1c1ccccc1 253394756 DQXSZXNQNCVOHX-CMPLNLGQSA-N 299.334 0.739 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC[C@]12CCOC2 367649685 WFRCSAIMWZZTGG-CYBMUJFWSA-N 252.314 0.460 0 50 CCAA N=c1[nH]nc(CNC(=O)[C@@H]2CCCCN2C2CCCC2)o1 368610866 BKFJCRQYOJUNOF-NSHDSACASA-N 293.371 0.895 0 50 CCAA Nc1nc(CCCNC[C@]2(O)CCCNC2)cs1 72430680 BLPAAJRQTOZWTL-GFCCVEGCSA-N 270.402 0.362 0 50 CCAA CCc1nc(C)sc1C(=O)N1CCS(=O)(=O)CC1 215932854 LDMVKBZUTWDCBT-UHFFFAOYSA-N 288.394 0.885 0 50 CCAA COc1ccc(C(=O)N[C@@H]2CC[C@@H](N)C2)c(OC)n1 71774937 YEPALCDWZVAKNH-RKDXNWHRSA-N 265.313 0.708 0 50 CCAA Cc1nc(=O)c2c([nH]1)CCN(C(=O)[C@@H]1CCCO1)CC2 215553150 UWMRFRJMLHLHTG-LBPRGKRZSA-N 277.324 0.185 0 50 CCAA Cc1nccnc1C(=O)N[C@H]1CCCn2ncnc21 612076133 TXEMRMPZJDJMHN-VIFPVBQESA-N 258.285 0.641 0 50 CCAA COCCCn1cnnc1CNC(=O)[C@H](C)n1ccnc1 426550117 YIBOKAAOLGOYMZ-NSHDSACASA-N 292.343 0.389 0 50 CCAA COc1ccc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cn1 267623306 VBUBVFBNTLOILX-SNVBAGLBSA-N 291.307 0.356 0 50 CCAA CC[C@H](C)[C@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)C(N)=O 97634967 IRBFEMRNQHOCPT-XVKPBYJWSA-N 292.339 0.277 0 50 CCAA C[C@H](Nc1ncc(F)c(N(C)C)n1)c1nnn[nH]1 95384492 YEQIZFVFJQAUCA-YFKPBYRVSA-N 252.257 0.368 0 50 CCAA CCN1CCCC[C@H]1C(=O)NCCc1c[nH]cn1 97610268 SZDZKMIJISFIFR-LBPRGKRZSA-N 250.346 0.943 0 50 CCAA CCN(Cc1cncn1CCOC)[C@H]1COC[C@@H]1O 244852744 UXVDEPORBAVUFG-STQMWFEESA-N 269.345 0.111 0 50 CCAA CCC(C)(C)C(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1 534666929 MEWDORCPXIQGLN-STQMWFEESA-N 283.416 0.554 0 50 CCAA CNC(=O)CCN(C)C(=O)c1cc(C)ccc1OCCN 299789601 YHVRDEGPEDCJKH-UHFFFAOYSA-N 293.367 0.541 0 50 CCAA CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](O)C2 823033190 ZMGCJBBMUZYRTN-NSHDSACASA-N 293.367 0.615 0 50 CCAA CO[C@@H]1CN(C(=O)c2nc[nH]c3nccc2-3)[C@](C)(CN)C1 630378468 WKSIQEPCDLUSNK-XPTSAGLGSA-N 289.339 0.488 0 50 CCAA CCn1ccc(CN(C)Cc2nncn2CCOC)n1 670454652 JIASYUXEZAJGNG-UHFFFAOYSA-N 278.360 0.773 0 50 CCAA COC(=O)N[C@H](C)C(=O)N(C)Cc1c[nH]nc1C 670451740 JTBSPZVSJNXKPS-MRVPVSSYSA-N 254.290 0.421 0 50 CCAA C[C@@]1(C(=O)NCCN2CCOC2=O)Cc2ccccc2N1 1875301380 HLEGQGBCXNAHQE-HNNXBMFYSA-N 289.335 0.982 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)N1CC(c2ccncc2)C1 952990624 VHBMAZHPUDNEBR-NSHDSACASA-N 271.324 0.935 0 50 CCAA CO[C@@H]1CN(CCC(=O)NC(C)C)C[C@H]1c1cn(C)nn1 886074502 GTXSQAJPIHKZHV-WCQYABFASA-N 295.387 0.144 0 50 CCAA O[C@H](COC1CCOCC1)Cn1cc(-c2cc[nH]n2)nn1 1771868435 GBVBTHRJOBSNKP-JTQLQIEISA-N 293.327 0.225 0 50 CCAA CCc1cc(CC(=O)N[C@]23CCC[C@H]2NCC3)n(C)n1 1775961309 PMPICHNDBQOFPK-HIFRSBDPSA-N 276.384 0.926 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2 1565525821 OOPROAIIWONADK-QWRGUYRKSA-N 265.313 0.432 0 50 CCAA CCc1cc(C(=O)N[C@H]2COCC[C@@H]2O)cc(O)n1 1565530232 QXIDXIVOSXEXQF-QWRGUYRKSA-N 266.297 0.229 0 50 CCAA O=c1n(Cc2cn3ccccc3n2)nc2cnccn12 170594226 KDHTVCVGOVOUKQ-UHFFFAOYSA-N 266.264 0.587 0 50 CCAA O=C(NC[C@H]1CCn2ccnc2C1)NC[C@H]1CCCO1 583614997 KUYCUNNBEBLLIG-NWDGAFQWSA-N 278.356 0.924 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1nccn2ccnc12 282269422 UMGTXDFREMIATL-IUCAKERBSA-N 273.296 0.126 0 50 CCAA Cc1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)ns1 585079514 PLGUSEILGKKEIC-UHFFFAOYSA-N 296.396 0.298 0 50 CCAA CN(C)[C@H]1C[C@@H](N=c2nc(O)c3cnn(C)c3[nH]2)C1(C)C 585092374 SUEHOUYZSSTKNL-ZJUUUORDSA-N 290.371 0.631 0 50 CCAA CC(=O)NCC(=O)N1CCC(OC(C)(C)C)CC1 408270217 GSTUHQBSSWQXAS-UHFFFAOYSA-N 256.346 0.929 0 50 CCAA CCNC(=O)c1ccc(CNC(=O)C2(C(=O)O)CC2)cc1 191565609 FESJFPGUPHBHOO-UHFFFAOYSA-N 290.319 0.917 0 50 CCAA Cn1nccc1[C@H](NC(=O)[C@H](O)C1CCCCC1)C(=O)O 647769995 SSIYXACXJPLEEG-NWDGAFQWSA-N 295.339 0.603 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(COC[C@@H](CN)O2)C1 757135922 AEVWDUDQJIBJDU-ZWNOBZJWSA-N 272.345 0.740 0 50 CCAA CCn1cnc2c(N[C@@H]3C[C@H](C(=O)O)C[C@@H]3O)ncnc21 662897708 VNUGEKURDNTLCC-YIZRAAEISA-N 291.311 0.482 0 50 CCAA CSCc1noc(CN(C)CCN2CCOCC2)n1 1529094767 MGIRVMALCSJETH-UHFFFAOYSA-N 286.401 0.697 0 50 CCAA Cc1cccnc1CN1CCN(c2n[nH]c(=N)s2)CC1 1857698046 UGRIRGGSADPJOB-UHFFFAOYSA-N 290.396 0.976 0 50 CCAA CC(=O)N(C)C1CCN(S(=O)(=O)C2CC2)CC1 408238474 SEMKMUBJKDAPOA-UHFFFAOYSA-N 260.359 0.421 0 50 CCAA CCN(CC(=O)O)S(=O)(=O)c1cnc(C(C)C)[nH]1 681584837 OPSIJHZMHRFXGG-UHFFFAOYSA-N 275.330 0.628 0 50 CCAA CC1=CCN(C(=O)CN2CCCC[C@H](O)C2=O)CC1 644405852 SRHBPSJXAWGIDP-LBPRGKRZSA-N 266.341 0.538 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)CCn1cc(Cl)cn1 648451083 CFNULAHINPCRHE-SECBINFHSA-N 287.703 0.239 0 50 CCAA CCN(C)S(=O)(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1 247938896 HTAJPSDMZDBQPR-ZJUUUORDSA-N 276.358 0.226 0 50 CCAA CC(C)c1ncc(S(=O)(=O)N(C)CC(=O)O)[nH]1 677643675 VNCORDZVKAHCCT-UHFFFAOYSA-N 261.303 0.238 0 50 CCAA COCCn1ncc(C(=O)N[C@@H]2C[C@@H](N)C23CCC3)c1C 1615554115 KFRFEEGEZBBJBE-CHWSQXEVSA-N 292.383 0.838 0 50 CCAA Cc1cc(NS(=O)(=O)c2cnn(C)n2)nn1C(C)C 1616034750 NDZHQFUPETWEKM-UHFFFAOYSA-N 284.345 0.702 0 50 CCAA CC1=NC(=O)C2(CCN(CC[C@@H]3COCCO3)CC2)N1 1775978465 ODMVZBHOBAIBLC-GFCCVEGCSA-N 281.356 0.175 0 50 CCAA O=C(CC1CCCC1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772708637 JPSGCNQRCYPSRV-VXGBXAGGSA-N 253.342 0.626 0 50 CCAA CN(CCCCN1CCOCC1)C[C@H]1CCC(=O)N(C)C1 1775981269 CFCOUNZFUDUELV-OAHLLOKOSA-N 297.443 0.899 0 50 CCAA Cc1ccc([C@H]2Cn3nnc(C(N)=O)c3CO2)cc1 1775973682 XJBJDIOXKQNBFA-LLVKDONJSA-N 258.281 0.957 0 50 CCAA CC(C)(C)[S@@](=O)CCNC(=O)C1(C(=O)O)CC1 154886815 PAOYSOGBEBPUDD-QGZVFWFLSA-N 261.343 0.515 0 50 CCAA CN1N=C(C(=O)Nc2ncc3c(n2)CCC3)CCC1=O 1875246677 UMVDHEZFLMGWJG-UHFFFAOYSA-N 273.296 0.512 0 50 CCAA CN(C(=O)c1ccco1)[C@]1(C)CCS(=O)(=O)C1 4501903 QYRDINNTDCXUQI-LLVKDONJSA-N 257.311 0.929 0 50 CCAA C[C@@H](OCC1CC1)C(=O)Nc1ccn([C@@H]2CCNC2)n1 328624014 JPCMLIVPEDLTDN-ZYHUDNBSSA-N 278.356 1.171 0 50 CCAA O=C(O)CCNC(=S)NC[C@@H]1COc2ccccc2O1 243237791 KNIGQNIMSLVXNJ-SECBINFHSA-N 296.348 0.765 0 50 CCAA CCOC(=O)Cn1nc(C)cc1NC(=O)[C@H]1CCCO1 585125100 GMSKGGZTRZVWNG-SNVBAGLBSA-N 281.312 0.872 0 50 CCAA CN1CC[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1=O 163816332 UWHMMYRXFSADEK-RWMBFGLXSA-N 289.335 0.175 0 50 CCAA O=C(O)c1ccc(C(=O)NC[C@H](O)C(F)F)nc1 1875266702 YOCFMYASSAKSFK-ZETCQYMHSA-N 260.196 0.136 0 50 CCAA NC(=O)c1nnn(C[C@@H]2CCC3(CCCC3)O2)n1 918152007 ULUJUMFIQVDEIO-QMMMGPOBSA-N 251.290 0.264 0 50 CCAA Cc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)nc1 251225442 JTYAUTHRYLJKOK-PKZYVASSSA-N 274.276 0.983 0 50 CCAA COc1ccc(NCc2cc(=O)n(C)c(=O)n2C)cc1 5337955 PNDBWUAZCINSMT-UHFFFAOYSA-N 275.308 0.705 0 50 CCAA O=C(Cc1cccc(Cl)c1)N[C@@H]1CCNC[C@H]1O 77407818 FBJQBUNHFRLRAX-VXGBXAGGSA-N 268.744 0.722 0 50 CCAA Cn1nnc2c1[C@@H](C(=O)NOCc1cccnc1)CCC2 2325773296 HPEZKNGDWFOJMG-NSHDSACASA-N 287.323 0.878 0 50 CCAA COC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 440162 FJNDWFRULUAVSE-UHFFFAOYSA-N 257.311 0.934 0 50 CCAA COC1(CN(C)C)CCN(Cc2cnn(C)c2)CC1 2356149038 GUQQWMHKGFHKRL-UHFFFAOYSA-N 266.389 0.963 0 50 CCAA CC[C@]1(O)CCC[C@H]2CN(c3cncc(C(N)=O)n3)C[C@H]21 2356159515 FABDMZWMZFCGSK-RWSFTLGLSA-N 290.367 0.953 0 50 CCAA CC[C@H](CO)NC(=O)C(=O)Nc1cccc(F)c1 2853164 XORBAGGVICCSAQ-SECBINFHSA-N 254.261 0.651 0 50 CCAA CN(C)S(=O)(=O)N1CCC(C(=O)NC(C)(C)C)CC1 10366929 XFTCVUDFNGCDOF-UHFFFAOYSA-N 291.417 0.420 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(c2ccccc2N2CCOCC2)C1 45958048 SKADSAPWGOYTSB-LLVKDONJSA-N 290.319 0.961 0 50 CCAA CC(C)[C@@H](NC(=O)CN1CC(=O)NC1=O)c1ccccn1 67773317 MBKUDNUDNWTFFZ-CYBMUJFWSA-N 290.323 0.447 0 50 CCAA COc1cccc([C@H](C)C(=O)N[C@H]2CNC(=O)C2)c1 330895975 SIXAMKZOIGKLFL-GXSJLCMTSA-N 262.309 0.803 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(C[C@H]3CCCO3)C[C@@H]2C)CC1 257366274 QETRANVCDIKPDR-NUEKZKHPSA-N 295.427 0.650 0 50 CCAA CC(=O)N[C@@H]1CCN(c2nc(C)nc3c2c(C)nn3C)C1 72409495 RAPSMHQPMHWRMN-LLVKDONJSA-N 288.355 0.695 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)C(=O)c2cccnc2)C1 214992872 CTTNYMRSFOSYJY-GFCCVEGCSA-N 291.351 0.301 0 50 CCAA Cc1ncn(CC(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)c1C 219597861 CWROWSRDWXDBEY-LVEBTZEWSA-N 293.367 0.090 0 50 CCAA Cn1nccc1[C@H]1CCCCN1C(=O)CCNC(=N)O 330388785 NNJFETJFPUNGOC-LLVKDONJSA-N 279.344 0.946 0 50 CCAA O=C(CNCCO)Nc1cccc(Br)c1 35101807 ZWCIVPODIGUKLF-UHFFFAOYSA-N 273.130 0.970 0 50 CCAA CC(C)c1cc(C(=O)N2CCO[C@H](C(=O)O)C2)n(C)n1 236600821 XPXSCZQRNVNLBL-NSHDSACASA-N 281.312 0.469 0 50 CCAA COc1ccc(CC(=O)N2CC[C@H](O)[C@@H](O)C2)cc1OC 72158723 JYDGYUHJQPSQTK-RYUDHWBXSA-N 295.335 0.200 0 50 CCAA O=C(CCc1cc2n(n1)CCCNC2)N1CC=C[C@H]1CO 72429667 ZWEDBGLQNWZAFE-ZDUSSCGKSA-N 290.367 0.068 0 50 CCAA CS(=O)(=O)NCc1ccc(NC(=O)[C@@H]2CCCN2)cc1 237386940 AGQYTPMRTRGNAE-LBPRGKRZSA-N 297.380 0.426 0 50 CCAA NC(=O)c1n[nH]c2ccc(NC(=O)c3nccnc3N)cc12 341107664 XFPJVBNAUCJGAO-UHFFFAOYSA-N 297.278 0.286 0 50 CCAA C[C@H]1CCCN(C(=O)c2nccnc2N)[C@@H]1C(=O)O 263054575 LOSOHFXOADCMQD-CBAPKCEASA-N 264.285 0.384 0 50 CCAA O=C(C(=O)N1CC[C@@]2(CCNC2)C1)N1CCCC2(CC2)C1 335378321 LAJPRFHSXWECKC-MRXNPFEDSA-N 291.395 0.601 0 50 CCAA O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 239654537 BOGFZZAHJJHPMW-WTPMCQDGSA-N 291.351 0.479 0 50 CCAA C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(N)=O 71754879 GXWYPVRXUFIRLA-QMMMGPOBSA-N 272.326 0.335 0 50 CCAA CC(C)Cc1cc(CNC(=O)c2cn(CCN)nn2)no1 77565750 OXRCSZLLUAATSL-UHFFFAOYSA-N 292.343 0.353 0 50 CCAA Cc1ccc(-c2noc(C[C@H]3CCS(=O)(=O)C3)n2)nn1 82138360 FQQFVFMONFMYDL-SECBINFHSA-N 294.336 0.812 0 50 CCAA CCCN1C[C@H](C(=O)NCc2cccnc2)CC1=O 40455956 QDRACLAKIZITPM-GFCCVEGCSA-N 261.325 0.956 0 50 CCAA O=C(NCCc1ccccc1)N[C@H]1CNCC[C@H]1O 426428780 MOQUBSHVJGSNJF-QWHCGFSZSA-N 263.341 0.251 0 50 CCAA C[C@H]1C[C@H](CN)CN1Cc1cc(=O)n2ccsc2n1 131477792 SMZAKMZVSKSCKE-VHSXEESVSA-N 278.381 0.925 0 50 CCAA COCC1(NC(=O)Cc2nc(O)n[nH]2)CCCC1 426388148 KFUSGWBCSPBMKU-UHFFFAOYSA-N 254.290 0.128 0 50 CCAA Cc1ccc(-c2noc(CCC(=O)N(C)C)n2)nn1 85479540 GTXWKRITZNJLPG-UHFFFAOYSA-N 261.285 0.856 0 50 CCAA NC(=O)[C@H]1CCCN1C(=O)NCc1nc2ccccc2o1 426509311 GLMVFVVNEGQWKS-SNVBAGLBSA-N 288.307 0.987 0 50 CCAA O=C(Cc1nc(O)n[nH]1)NCc1nc2c(s1)CCCC2 426477579 OQWKPIMKWSFOHD-UHFFFAOYSA-N 293.352 0.705 0 50 CCAA CCCO[C@H]1CCCN(C(=O)CCn2cnnn2)C1 221195373 ROLLQJWGSPAYTK-NSHDSACASA-N 267.333 0.481 0 50 CCAA CC(=O)N1C[C@H]2CN(Cc3cc(C)no3)C[C@@]2(C(=O)O)C1 96140731 PCPLQNVTOLCNJQ-BXUZGUMPSA-N 293.323 0.348 0 50 CCAA CC(=O)N(C)[C@@H]1CCN(C(=O)c2cncnc2C)C1 97775945 CRMXTFSXCPIACH-LLVKDONJSA-N 262.313 0.478 0 50 CCAA COCCNC(=O)C[C@H]1Nc2ccccc2NC1=O 95117690 PTHQQKWNXCXJOG-LLVKDONJSA-N 263.297 0.572 0 50 CCAA CC1CCN([C@H]2CCCN(CC(=O)O)C2=O)CC1 252494416 NUSORDGUAMTZKR-NSHDSACASA-N 254.330 0.794 0 50 CCAA N[C@H]1C[C@@H](c2cc(NCCN3CCNC3=O)ncn2)C1 252527701 DEGOAIQZCRSKQP-AOOOYVTPSA-N 276.344 0.118 0 50 CCAA CN(CCCN1CCOCC1)C(=O)C[C@H]1CCOC1 584884995 ZTBSSTQAYCQEJM-CYBMUJFWSA-N 270.373 0.594 0 50 CCAA Fc1cnc(NCCn2cncn2)nc1N1CCCC1 584893977 XZCBECWWTUONQL-UHFFFAOYSA-N 277.307 0.920 0 50 CCAA O=C(NCCN1CCC[C@@H](CO)C1)c1cncc(O)c1 584886697 MPUMINXZSPNXBJ-LLVKDONJSA-N 279.340 0.221 0 50 CCAA CN(CC(=O)NCc1csc(N)n1)Cc1ccncc1 823715029 IYJLEVMQPNIABA-UHFFFAOYSA-N 291.380 0.869 0 50 CCAA NC(=O)c1ccc(CNC(=O)N2CCCC[C@H]2CO)cc1 584896486 SKIJNLCXWFKCNU-ZDUSSCGKSA-N 291.351 0.842 0 50 CCAA CC(C)Cc1noc(CN(C)C(=O)CCn2cncn2)n1 584900628 VODBEUQYFCFRNY-UHFFFAOYSA-N 292.343 0.908 0 50 CCAA COCCCCN1CCN(C(=O)[C@@]2(C)CCN(C)C2)CC1 584888571 QWGOELNNAHJJGK-INIZCTEOSA-N 297.443 0.899 0 50 CCAA O=C(CCc1cccc(O)c1)NCC[C@H](O)CO 584884415 HJTBFDVFKWAWQE-LBPRGKRZSA-N 253.298 0.184 0 50 CCAA CN1C[C@@H](CNC2Cc3ccccc3C2)OCC1=O 670449855 NNGAFSNSVPZWHM-CQSZACIVSA-N 260.337 0.601 0 50 CCAA CCN=c1ccc(NC(=O)c2cc3n(n2)CCO3)c[nH]1 1875278472 BWSIHEVNSCZJPF-UHFFFAOYSA-N 273.296 0.777 0 50 CCAA Oc1nc2c(N3CC(n4cccn4)C3)nc(Cl)nc2[nH]1 1875279642 HSFUNOJJWXIIRA-UHFFFAOYSA-N 291.702 0.970 0 50 CCAA C=CC(=O)NCc1cccc(CNS(C)(=O)=O)c1 1875368801 QVZAADLOYFWUCV-UHFFFAOYSA-N 268.338 0.538 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)NCCCc1cnn(C)c1 952980068 UAQFYPBOYKKGFU-NSHDSACASA-N 276.344 0.397 0 50 CCAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)C2CC2)C1 888077548 HXRGJSXPSUYKDC-PSASIEDQSA-N 271.342 0.664 0 50 CCAA Cn1nc(C(F)(F)F)cc1CN1CCOC[C@H]1CO 895903198 MSUMYAGKPSSWSY-SECBINFHSA-N 279.262 0.632 0 50 CCAA CCn1cc(CC(=O)Nc2nc(S)n[nH]2)cn1 1775986846 JZGCOOIFDJHGBR-UHFFFAOYSA-N 252.303 0.491 0 50 CCAA O=C(Nc1ccc2c[nH]nc2c1)N[C@H]1CNCC[C@@H]1O 1565513851 FGNMSXYFMPZKFK-RYUDHWBXSA-N 275.312 0.407 0 50 CCAA COc1cccc2ncn(C[C@H]3CCNC[C@@H]3O)c(=O)c12 1565515804 MTZAORVGCPFYRP-PWSUYJOCSA-N 289.335 0.376 0 50 CCAA CC(C)c1nccc(C(=O)N[C@H]2CCOC[C@@H]2O)n1 1565528663 HPCJHQRNEAPNHA-ONGXEEELSA-N 265.313 0.480 0 50 CCAA CCN(CC)CC(=O)N1CCN(C)[C@@H](c2nccn2C)C1 275767151 XKQLEUJWFCSGIU-CYBMUJFWSA-N 293.415 0.577 0 50 CCAA Cc1cc(CNC(=O)c2cc[nH]n2)nc(N(C)C)n1 170608556 DWBLQGKWXCOEMT-UHFFFAOYSA-N 260.301 0.504 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(CCc2ccccn2)C1 643810303 ZOXGHDWYELMTTM-INIZCTEOSA-N 291.395 0.929 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC(C)(C)C(=O)N1CCCC1 907923805 GKQVSCKTSJOLSV-UHFFFAOYSA-N 295.383 0.538 0 50 CCAA C=CC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 585086953 YCPVOJSJMOTISJ-JTQLQIEISA-N 272.370 0.493 0 50 CCAA COc1cnc(N(C)CCN2CCOCC2)nc1 1529191986 LZVYXVQUMNFZDH-UHFFFAOYSA-N 252.318 0.254 0 50 CCAA NS(=O)(=O)C[C@@H]1CCCCN1Cc1csnn1 931231328 RHALKYMYELAEAA-VIFPVBQESA-N 276.387 0.181 0 50 CCAA CC(=O)N[C@H](CC(C)C)C(=O)N(CCO)Cc1ncc[nH]1 1704334431 ITYJVNJXIZFNPS-GFCCVEGCSA-N 296.371 0.281 0 50 CCAA CCc1cnc(N)nc1NCCNC(=O)c1cccnc1 1704333526 AQKJDIMWJMDNNB-UHFFFAOYSA-N 286.339 0.858 0 50 CCAA NC(=O)[C@H]1COCCN1c1ccc(C(F)(F)F)nn1 225563295 NASQANNGPLXSBL-ZCFIWIBFSA-N 276.218 0.186 0 50 CCAA COCC(COC)NC(=O)C1SCCCS1 841255183 SKKPMCXJBXXKFK-UHFFFAOYSA-N 265.400 0.960 0 50 CCAA C[C@H]1OCC[C@H]1NS(=O)(=O)c1cncc(F)c1 330216923 NLSNKSIBHJSIDQ-GMSGAONNSA-N 260.290 0.676 0 50 CCAA C[C@H]1CCN(C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 334475996 MVHXLZCORGOAAU-VHSXEESVSA-N 252.318 0.158 0 50 CCAA O=C1[C@@H]2CCCN2S(=O)(=O)N1Cc1ccccc1 1615587470 MRYPQLFMXCSPNA-NSHDSACASA-N 266.322 0.738 0 50 CCAA CC(C)N(CC(N)=O)C(=O)c1n[nH]c2c1CCC2 264052687 XNXABHJIPPITLO-UHFFFAOYSA-N 250.302 0.234 0 50 CCAA CCN(Cc1ccncc1)C(=O)c1cc(-n2cnnn2)n[nH]1 1857672531 FDUVWVAGAVNGMF-UHFFFAOYSA-N 298.310 0.443 0 50 CCAA COCCOCCN1C(=O)[C@]2(CCNC2)c2ccccc21 1875247454 MGVVDVDDJCTINQ-INIZCTEOSA-N 290.363 0.927 0 50 CCAA C[C@@H]1CN(c2ncc(C(=O)O)cc2Cl)C[C@@H](C(N)=O)O1 629767168 HTJNKHCKYFKGRK-MUWHJKNJSA-N 299.714 0.512 0 50 CCAA C[C@@]1(CNC(=O)c2cnnn2C2CCNCC2)CC1(F)F 662667233 SPPABRILYDWSNH-LBPRGKRZSA-N 299.325 0.978 0 50 CCAA CCCn1nccc1C(=O)Nc1ncn(CC(=O)O)n1 663337334 ULRWDTUAVVDCSB-UHFFFAOYSA-N 278.272 0.222 0 50 CCAA COC(=O)[C@@H](N)C1CC(NC(=O)OC(C)(C)C)C1 1857782973 GPKOTOUVCZVKQV-HACHORDNSA-N 258.318 0.790 0 50 CCAA OCCOCCN1CCN(Cc2ccoc2)CC1 23115221 GYFOYEJKAVQYBC-UHFFFAOYSA-N 254.330 0.406 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 426407532 LJJFJFHFOIHQCZ-FQPOAREZSA-N 298.770 0.882 0 50 CCAA CN1CCC(C)(C(=O)NCCc2ncc[nH]2)CC1 426628204 JTAUVIMDFMONSD-UHFFFAOYSA-N 250.346 0.800 0 50 CCAA N[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1C1CC1 91914854 AXACFJMATKOKDP-NEPJUHHUSA-N 267.354 0.439 0 50 CCAA Cn1cnc2cnc(N3CCC(c4nc[nH]n4)CC3)nc21 2100473535 QIOTXINOFLDPOU-UHFFFAOYSA-N 284.327 0.865 0 50 CCAA C[C@H]1NC(=O)O[C@@]12CCN(C(=O)Cc1cncnc1)C2 2325784167 FJAVTBDNTOMIHW-NOZJJQNGSA-N 276.296 0.119 0 50 CCAA Cn1ncc(C(=O)O)c1C(=O)Nc1cnn2cccnc12 2325818628 NTCLAJLKBLKNHL-UHFFFAOYSA-N 286.251 0.413 0 50 CCAA O=C(O)/C=C\C(=O)Nc1ccc(OCC(=O)O)cc1 4755326 UXYCUPVTGKWBKZ-WAYWQWQTSA-N 265.221 0.729 0 50 CCAA O=C(N[C@@H]1CCO[C@H](C2CC2)C1)[C@H]1C[C@H]1C(=O)O 249636138 WPIBMGVOGLDIHO-YTWAJWBKSA-N 253.298 0.781 0 50 CCAA CCOC[C@H](O)CNc1nccc(-c2cnn(C)c2)n1 23506102 XIHXZQSLWPFKFG-LLVKDONJSA-N 277.328 0.686 0 50 CCAA Cc1cnc(C(=O)NC[C@@]2(O)CCO[C@H]2C)cn1 228678973 YKQITOBNUJPIOD-CABZTGNLSA-N 251.286 0.055 0 50 CCAA CCOC(=O)[C@@H](C)N1CCN(C(=O)OCC)CC1 63772454 WRKCAHQLVBKFEZ-SNVBAGLBSA-N 258.318 0.712 0 50 CCAA OCC[C@@H]1CN(CCO)CCN1Cc1ccc(F)cc1 20538980 WSMBXLXLBSGIPB-OAHLLOKOSA-N 282.359 0.687 0 50 CCAA CCOC(=O)[C@@H](CC)Sc1nnc(CO)n1C 252494804 OFJCDMNPTXWXHD-SSDOTTSWSA-N 259.331 0.741 0 50 CCAA Cc1nc(NC(=O)CCC(=O)O)sc1C(=O)N(C)C 205190 GXQLXBOBSGOEMD-UHFFFAOYSA-N 285.325 0.957 0 50 CCAA CCCCO[C@@H](C)C(=O)N1CCO[C@@H](c2nncn2C)C1 328624365 JUKAPQXLRLCXHO-NWDGAFQWSA-N 296.371 0.920 0 50 CCAA O=C(NC[C@H](O)CO)C(F)(F)c1ccccc1F 253418585 XWSHMXLIJWRHFD-ZETCQYMHSA-N 263.215 0.387 0 50 CCAA Cn1nccc1C(=O)NC[C@H]1CCn2ccnc2C1 328616620 BWPGWYOWFZDHGY-JTQLQIEISA-N 259.313 0.609 0 50 CCAA CNC(=O)[C@H](NCc1cn(C(C)(C)C)nn1)C(C)C 359669180 AUDFPVWNJIGSFW-LLVKDONJSA-N 267.377 0.893 0 50 CCAA CSCC[C@@H](O)C(=O)N(C)Cc1nc(C)c[nH]1 217117713 QGLDQSOUMIPDQU-SECBINFHSA-N 257.359 0.791 0 50 CCAA Cn1cc(-c2cc(CN3CCCS3(=O)=O)on2)cn1 329917030 ZEHIXQNUEWRGLK-UHFFFAOYSA-N 282.325 0.611 0 50 CCAA C[C@@H](Cn1cccn1)NC(=O)COc1cccnc1 219403582 XGQKZPFBOFBIAW-NSHDSACASA-N 260.297 0.862 0 50 CCAA CN(C)CCNC(=O)C[C@@H](O)C(Cl)(Cl)Cl 71771554 RORCYAUIGXZANC-ZCFIWIBFSA-N 277.579 0.785 0 50 CCAA CCc1nc(NC(=O)NCc2ccon2)nn1C 48101509 QXYQOFQGNBXQNC-UHFFFAOYSA-N 250.262 0.687 0 50 CCAA COCC[C@@H]1COCCN1C(=O)c1ccc(OC)nc1 291177824 KMPSDBFTGDWBIX-GFCCVEGCSA-N 280.324 0.968 0 50 CCAA C[C@H](c1ccncn1)N(C)C(=O)CN1CCOCC1 223077826 USRYULNHXRVWES-LLVKDONJSA-N 264.329 0.328 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)c1cccn(C)c1=O 222539211 JNLSYNCPJFLTRN-VXGBXAGGSA-N 280.324 0.309 0 50 CCAA Cc1cc(=O)[nH]c(NCCn2cc([C@H]3CCOC3)nn2)n1 91986312 OTCUMWRWDPEVAQ-JTQLQIEISA-N 290.327 0.286 0 50 CCAA CNCC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 237189518 WJBOFRLHLMEWSQ-RWMBFGLXSA-N 269.389 0.306 0 50 CCAA Cc1ccc(F)cc1C(=O)NC[C@]1(O)CCNC1 97910594 XJKOOQUMDMGPPZ-ZDUSSCGKSA-N 252.289 0.588 0 50 CCAA CC[C@H](C(=O)NCCCN1CCN(C)CC1)n1cccn1 91646058 CRWRHZQDBMCRDZ-CQSZACIVSA-N 293.415 0.588 0 50 CCAA CCCN(CC(=O)NC)C(=O)CNC(=O)c1cccs1 299287601 OFGWOLAXLZRISM-UHFFFAOYSA-N 297.380 0.463 0 50 CCAA COc1ccc(CCCNC(=O)[C@@H]2C[C@@H](O)CN2)cc1 299752256 TTXCULNRYFXUEA-OCCSQVGLSA-N 278.352 0.467 0 50 CCAA COc1ccc(S(=O)(=O)n2cncn2)cc1C 253430462 WKZOKDYLZUVZBK-UHFFFAOYSA-N 253.283 0.832 0 50 CCAA Cc1nccc(N2CCN(C(=O)Cc3ccn[nH]3)CC2)n1 184943039 VOZBUYVGFVCDLM-UHFFFAOYSA-N 286.339 0.399 0 50 CCAA CCOC(=O)N1CC[C@@H](NCc2nnc(N)s2)C1 534636589 MKSUZGVRNKFTKS-SSDOTTSWSA-N 271.346 0.441 0 50 CCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1cc(O)nc(O)n1)CC2 299785308 XIVCBWKAXOAVKA-COPLHBTASA-N 295.339 0.392 0 50 CCAA CC(=O)N[C@@H]1CCCN(Cc2ccn(C)c(=O)c2)C1 299851475 AGPCEPNUHSUZDT-CYBMUJFWSA-N 263.341 0.486 0 50 CCAA Cc1nnnn1CCC(=O)NCCc1nccs1 584895999 CQKAKHRQNYJFFT-UHFFFAOYSA-N 266.330 0.187 0 50 CCAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Cn1cnnn1 670465157 XVHFXGPYQZWIGN-JTQLQIEISA-N 277.332 0.101 0 50 CCAA COC[C@@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)O 547561844 UOVFLUJORLLNLA-SECBINFHSA-N 299.304 0.811 0 50 CCAA CN(C)C/C=C/C(=O)NCc1cnn2c1CN(C)CC2 1875376680 FPJCBDTXHCDMRE-SNAWJCMRSA-N 277.372 0.063 0 50 CCAA CC(C)[C@H](NCc1nncs1)C(=O)N1CCOCC1 1875271367 YFHLFOQVJXLNCU-NSHDSACASA-N 284.385 0.511 0 50 CCAA Cc1nsc(C(=O)N2CCOC[C@]23CCOC3)c1N 1875284462 VHSKPNIXNHPKEF-GFCCVEGCSA-N 283.353 0.665 0 50 CCAA CC(=O)N[C@@H](C)CNC(=O)c1cc(C)cn2ccnc12 1386392180 OZOLPGZZSCRJKS-JTQLQIEISA-N 274.324 0.897 0 50 CCAA CCO[C@@H]1CN(C(=O)c2cccn2C)C[C@@H]1CO 888100719 KLLKRWSXRJTCSP-ZYHUDNBSSA-N 252.314 0.495 0 50 CCAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C(=O)CCOC 1775957037 AMWDKVKFNCYQSI-UWVGGRQHSA-N 298.343 0.329 0 50 CCAA CN(Cc1nc([C@H]2C[C@H](F)CN2)n[nH]1)CC(C)(C)O 1775958177 ISCOPENIYBTUCA-DTWKUNHWSA-N 271.340 0.380 0 50 CCAA C[C@H]1Cc2cc(S(=O)(=O)NCc3cnon3)ccc2O1 1776006182 RYTQEQQPAUCLKG-QMMMGPOBSA-N 295.320 0.872 0 50 CCAA COc1ccc2ncn(C[C@H]3CCNC[C@@H]3O)c(=O)c2c1 1565507533 GVHCMQFHJHMKBR-YGRLFVJLSA-N 289.335 0.376 0 50 CCAA NC(=O)c1ccc(OCc2nnnn2C2CC2)c(F)c1 1364308752 POSZWITWRSKOOQ-UHFFFAOYSA-N 277.259 0.825 0 50 CCAA O=C(NC[C@H]1CCc2nccn2C1)[C@@H]1CCCOC1 276282046 NAQRNQPRCRZZFA-VXGBXAGGSA-N 263.341 0.988 0 50 CCAA Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1nccn1C 584906987 VEBARHBXTQBWKQ-MRVPVSSYSA-N 298.368 0.934 0 50 CCAA CC1(C)CNC(=O)[C@H]1NC(=O)Nc1ccc(F)cn1 585120042 JVMBUZJNSBCCSD-SECBINFHSA-N 266.276 0.867 0 50 CCAA C[C@@H]1CN(c2ncccc2S(N)(=O)=O)CCCO1 171880135 CZVLWCRUAKBOMF-SECBINFHSA-N 271.342 0.344 0 50 CCAA O=C(NS(=O)(=O)CC1CCC1)c1cc2n(n1)CCCO2 408486564 JXCLGHMRBMDIPN-UHFFFAOYSA-N 299.352 0.525 0 50 CCAA Cc1ccc(C(=O)N(CCO)C2CCC2)c(=O)[nH]1 222089147 HGHOFBBJURSHRO-UHFFFAOYSA-N 250.298 0.670 0 50 CCAA CCc1noc2ncc(S(=O)(=O)NC(C)(C)CN)cc12 225425587 CBWRSDKNXFTEFC-UHFFFAOYSA-N 298.368 0.801 0 50 CCAA NS(=O)(=O)C1CCN(C(=O)NCc2ccccc2)CC1 225545923 ZLJIVOYCHPLGFY-UHFFFAOYSA-N 297.380 0.649 0 50 CCAA CN(C)C1CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 225526109 KIYORZRAJRWIAR-UHFFFAOYSA-N 298.346 0.619 0 50 CCAA COc1ccc(S(=O)(=O)N[C@H]2CCOC2)cn1 195432281 HLMJDUPUTSZRQF-QMMMGPOBSA-N 258.299 0.157 0 50 CCAA CC(C)(C)CS(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)O)C1 579978735 BMHNRHLINKHORA-UWVGGRQHSA-N 293.385 0.520 0 50 CCAA COCC(C)(C)N(C)C(=O)Cc1c(C)nc(O)nc1O 1506416523 JTCVILPOYUCIMU-UHFFFAOYSA-N 283.328 0.622 0 50 CCAA CSCCN1CCN(C(=O)CN2C[C@@H]3CC[C@H]2C3)CC1 1506403943 XTUTWKMKOBYGCR-KGLIPLIRSA-N 297.468 0.978 0 50 CCAA Cc1cnc(C)c(NC[C@@H]2CN(C)C(=O)CO2)n1 1506396062 BCTCTMKYTSUGIR-SNVBAGLBSA-N 250.302 0.363 0 50 CCAA CCN(CCN1CCOCC1)c1ncccc1C(=O)O 1529099325 VOTLTAHYFFZBTE-UHFFFAOYSA-N 279.340 0.938 0 50 CCAA CN1CN(C(=O)c2nn(C)cc2Br)CC1=O 329049785 WDLHUWKOFYHBAV-UHFFFAOYSA-N 287.117 0.054 0 50 CCAA CC(C)CN1CCN(C(=O)c2cnn[nH]2)[C@H](C)C1=O 408376598 XHWNOALXJKNNDP-SECBINFHSA-N 265.317 0.134 0 50 CCAA O=C(CO[C@H]1CCOC1)NC1(c2ccccc2)COC1 1614705698 GSOPNKBFQSOFRK-ZDUSSCGKSA-N 277.320 0.834 0 50 CCAA Cc1cc(CCNC(=O)[C@]23CCC[C@H]2NCC3)nn1C 1615550523 XWYLUOVECIPRGF-HIFRSBDPSA-N 276.384 0.919 0 50 CCAA CN1CC[C@H](NS(=O)(=O)C[C@@H]2CC[C@@H](F)C2)CC1=O 1615585401 DYBYMZNSVQARJC-MXWKQRLJSA-N 292.376 0.665 0 50 CCAA CCCNC(=O)CN1C[C@@H](N(C)C)C2(CCOCC2)C1 1615614950 KSBHIHVAHGTXFX-CYBMUJFWSA-N 283.416 0.555 0 50 CCAA CN1CCCN(C)CCN(C)CCCN(C)CC1 19943120 HRFJEOWVAGSJNW-UHFFFAOYSA-N 256.438 0.507 0 50 CCAA in-vitro CC(C)[C@@H](C(=O)N(C)[C@@H](C)C(=O)O)N1CCCC1=O 262886128 MOICBYSECRULMV-ONGXEEELSA-N 270.329 0.565 0 50 CCAA COc1ccccc1CC(=O)N1C[C@H]2[C@H](C1)C2(CO)CO 1772702844 LUNQCWNBRYRBGW-STQMWFEESA-N 291.347 0.297 0 50 CCAA CN1CC[C@@H](NC(=O)[C@H]2CCc3ccccc3O2)C1=O 19883880 RPEDWZZKUHKAED-DGCLKSJQSA-N 274.320 0.727 0 50 CCAA CCC1=NO[C@@H](CN2CCC3(CC2)CNC(=O)CCO3)C1 1857708543 YWNXSMCTOCIJFL-CYBMUJFWSA-N 295.383 0.912 0 50 CCAA COCc1noc(CN=c2[nH]cnc3ccc(C)nc23)n1 1857714203 MYBOOGZEEZBIPO-UHFFFAOYSA-N 286.295 0.897 0 50 CCAA O=C(CCc1nn[nH]n1)N1CCC[C@H]1CN1CCCC1 630861055 RMNMAPIPNIMLNY-NSHDSACASA-N 278.360 0.219 0 50 CCAA CN(C)C(=O)c1cncc(N(C)C[C@H]2CCC[C@H]2O)n1 342773464 BKENBFGNCQALPS-ZYHUDNBSSA-N 278.356 0.776 0 50 CCAA CCS(=O)(=O)Cc1nc(-c2ccc3nn[nH]c3c2)no1 350485620 MTLKTADTZLRYHE-UHFFFAOYSA-N 293.308 0.943 0 50 CCAA COCCn1cc(CNC(=O)NCc2ccncc2)cn1 252482786 DNQUBYAYFYXSBX-UHFFFAOYSA-N 289.339 0.924 0 50 CCAA N[C@]12CCc3nonc3[C@@]1(O)CC(c1ccccc1)=[N+]2[O-] 19324665 JENTZDUNXHZRGI-KBPBESRZSA-N 286.291 0.262 0 50 CCAA Cc1noc(COCC(=O)N2C[C@H](C)N[C@@H](C)C2)n1 154116058 PELQHBSHKANDMM-IUCAKERBSA-N 268.317 0.103 0 50 CCAA CN1CCO[C@@H](C(=O)N[C@@](C)(CO)C2CCCCC2)C1 157823588 ZZVHKXFGRYGACF-HIFRSBDPSA-N 284.400 0.765 0 50 CCAA CN1C(=O)COc2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)O)cc21 262354272 BZNKDQSRTMILMI-RKDXNWHRSA-N 290.275 0.701 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)CCc1cn[nH]c1 1565529767 FNWYWBQLFIXFSK-QWRGUYRKSA-N 253.302 0.262 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@H]1CC(=O)N(C(C)C)C1 900499535 URZJUXQZDJEGKQ-NSHDSACASA-N 281.356 0.146 0 50 CCAA COc1cnc(N(C)C(=O)c2c3c(nn2C)CCC3)nc1 905216546 AFMKHHARJFUHCI-UHFFFAOYSA-N 287.323 0.984 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)O)C1 236813908 NDXUIPBMTICRIW-GHMZBOCLSA-N 268.313 0.321 0 50 CCAA CN(CC(=O)N1CCCCC1)Cc1nncn1C 347640760 AMYAZLVYWFVMOR-UHFFFAOYSA-N 251.334 0.259 0 50 CCAA Cc1nnc(N2CCC3(CC2)CNCCO3)s1 534630552 KZUCLXLRYIRXRR-UHFFFAOYSA-N 254.359 0.805 0 50 CCAA O=C(c1cc(=O)[nH]c2ccccc12)N1CC=C[C@@H]1CO 92080771 VPRBJLCLGTUOJY-SNVBAGLBSA-N 270.288 0.901 0 50 CCAA O=S(=O)(CCOc1ccccc1)N1CCNCC1 393692864 HPYBFCHCCQCOAK-UHFFFAOYSA-N 270.354 0.300 0 50 CCAA C1CCN(Cc2nc([C@H]3COCCN3)no2)CC1 1875274003 UPGUSOGZUGAJKB-SNVBAGLBSA-N 252.318 0.716 0 50 CCAA CCCC[C@](C)(CO)NC(=O)c1nc[nH]c2ncnc1-2 2325861103 FVIKRKSEODZPGD-CYBMUJFWSA-N 277.328 0.976 0 50 CCAA CNC(=O)CN(c1ccccc1OC)S(C)(=O)=O 80130 DLPKURHTNHWWAZ-UHFFFAOYSA-N 272.326 0.207 0 50 CCAA COC(=O)c1cc(Cl)nc(S(C)(=O)=O)n1 1678922 FSQBCNBFHWRUGG-UHFFFAOYSA-N 250.663 0.320 0 50 CCAA COc1ccc(C(=O)N2CCC[C@@]23CCCNC3=O)cn1 2356134088 XFEYUKDFIZTSPX-OAHLLOKOSA-N 289.335 0.975 0 50 CCAA CN1C[C@H](NCc2ccc3c(c2)oc(=O)n3C)CCC1=O 328591556 IWWPWUVDUQNCNR-LLVKDONJSA-N 289.335 0.842 0 50 CCAA CNc1ncccc1CN1C[C@H](N(C)C)C[C@H]1CO 65420954 PYJVORLXXUBZLW-OLZOCXBDSA-N 264.373 0.620 0 50 CCAA CN(C)S(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1 67727226 FKOZCHYLXIBZCZ-QWHCGFSZSA-N 296.392 0.798 0 50 CCAA COC(=O)C[C@@H]1CN([C@@H](C)c2n[nH]c(C)n2)CCO1 331235613 FLGGANIIBFVGPK-WCBMZHEXSA-N 268.317 0.438 0 50 CCAA Cc1nc[nH]c1CC(=O)N[C@H]1CCc2c[nH]nc2C1 1150919712 GWXKQBQOMTWMCB-JTQLQIEISA-N 259.313 0.657 0 50 CCAA CN(C)C(=O)c1cccc(C(=O)N[C@H]2CCCNC2)c1 237056568 PDNUFMXPTALOQC-ZDUSSCGKSA-N 275.352 0.870 0 50 CCAA Cn1ccnc1-c1ccc(N2CCC(O)(CO)CC2)nn1 67954799 JJCCZRVJTUEBKK-UHFFFAOYSA-N 289.339 0.201 0 50 CCAA CC[C@H](C)N1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 336288976 ZAMKBHZZTWIFRO-RYUDHWBXSA-N 282.388 0.472 0 50 CCAA CC(C)n1ccnc1CN1CCO[C@H](C)[C@H]1C(N)=O 285301084 VUXJXVYMXHTHPD-PWSUYJOCSA-N 266.345 0.539 0 50 CCAA O=C1C[C@@H](CNS(=O)(=O)c2cccnc2)CN1C1CC1 180644511 REZCMUKNCKOOBV-JTQLQIEISA-N 295.364 0.371 0 50 CCAA Cn1ncnc1[C@@H](NC(=O)c1cc(CO)ccn1)C1CC1 219758388 YQZWMDNHFPKHLW-LBPRGKRZSA-N 287.323 0.584 0 50 CCAA Cc1c[nH]c([C@@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)n1 218942013 LPGPFJKHGBSNSJ-SECBINFHSA-N 289.339 0.838 0 50 CCAA C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(=O)[nH][nH]1 216240217 ONEIEPVSCQBRMF-FCZSHJHJSA-N 258.281 0.989 0 50 CCAA CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NCCO 218280874 TUKZUHMHTQRVBS-NSHDSACASA-N 298.412 0.736 0 50 CCAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)[C@@H](C)NC(N)=O 360707325 JGISBCCUALYWKI-NXEZZACHSA-N 279.344 0.747 0 50 CCAA O=C(c1cc2ccccc2[nH]1)N1CCO[C@@H](c2nn[nH]n2)C1 364528851 KMVNDOZIRHTFKK-GFCCVEGCSA-N 298.306 0.895 0 50 CCAA Cc1nnc(NC(=O)[C@]2(C)CCC(=O)NC2)n1C1CC1 375577274 FZQVVHWQUUNLIP-CYBMUJFWSA-N 277.328 0.776 0 50 CCAA Cc1nc(-n2nnc(C(=O)O)c2C)sc1C(=O)O 138877813 GFARWLFWUSVYBF-UHFFFAOYSA-N 268.254 0.737 0 50 CCAA CCCN1C[C@@H](NC(=O)c2[nH]nc(N)c2Cl)CC1=O 221418500 PIHBBAHINQWJOL-LURJTMIESA-N 285.735 0.386 0 50 CCAA Cc1c[nH]c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)n1 223737447 DBHZMDYECXPHEN-YVECIDJPSA-N 290.367 0.700 0 50 CCAA NC[C@H]1CCCN1S(=O)(=O)C[C@H]1CCCCO1 178966793 FWDSEBJALBUVOX-GHMZBOCLSA-N 262.375 0.308 0 50 CCAA CCn1cnc(NC(=O)NCc2nccn2CC)n1 48360870 VRYQNCLYIHTBNP-UHFFFAOYSA-N 263.305 0.836 0 50 CCAA COCC1(CNS(=O)(=O)N2CCCC2)CCC1 332018865 SPKSJRBQBKKBPR-UHFFFAOYSA-N 262.375 0.733 0 50 CCAA Cn1cnc(S(=O)(=O)N2CCC[C@@]3(CCOC3)C2)c1 95392811 GKQNAFQQDOEPDR-GFCCVEGCSA-N 285.369 0.611 0 50 CCAA COC1=C[C@]23[C@H]4[C@@H]5[C@@H]6[C@@H]5[C@@H]2[C@]3(C=C1)[C@H]6n1c(=O)n(C)c(=O)n14 248022234 IDJQKWWEOAOOGI-IBQPPZKASA-N 297.314 0.036 0 50 CCAA COCCn1cnnc1CN(C)C[C@H]1CCCN1C 252488297 IORKNGMVJJRMMN-GFCCVEGCSA-N 267.377 0.451 0 50 CCAA Cn1cc(Cl)c(C(=O)NCC[C@@]2(O)CCCOC2)n1 628009175 JRPMJSOQPSQXEB-LBPRGKRZSA-N 287.747 0.735 0 50 CCAA CSc1ncc(CNC(=O)[C@@H]2C=CCN2)n1C 534655161 WCVVJFQPYMRDCU-VIFPVBQESA-N 252.343 0.286 0 50 CCAA C[C@@H](CN1CCc2ccccc2C1)NCc1nc(N)n[nH]1 534575989 GJDZMBCPUGDTKP-NSHDSACASA-N 286.383 0.923 0 50 CCAA CC(C)[C@H](NC(=O)CCc1nncn1C)c1nccn1C 534663294 XKZAHPQXSQADNL-ZDUSSCGKSA-N 290.371 0.995 0 50 CCAA COC[C@H](C)NS(=O)(=O)CC(=O)c1ccccc1 725375970 RCBPUAHZDLEJGZ-JTQLQIEISA-N 271.338 0.824 0 50 CCAA CCCc1cc(CNC(=O)c2ccc(=O)n(C)n2)on1 670451859 SBZYPYLAWTYRDZ-UHFFFAOYSA-N 276.296 0.651 0 50 CCAA CS(=O)(=O)Nc1ccc([C@H]2CNCC[C@H]2N)cc1 757207390 ATIRCNZRYHPLEQ-VXGBXAGGSA-N 269.370 0.462 0 50 CCAA CCOC(=O)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 71278477 SPMQSCUUNVVBGR-NEPJUHHUSA-N 283.372 0.818 0 50 CCAA CN(Cc1nc(O)n[nH]1)C(=O)C[C@@H]1CCC2(CCC2)O1 1875296505 ZYTSEAKTRTWZCY-VIFPVBQESA-N 280.328 0.961 0 50 CCAA C[C@H]1CNC(=O)CN1Cc1ccc(-n2cccn2)nc1 1875322774 HOHYITIRNGUAGM-NSHDSACASA-N 271.324 0.588 0 50 CCAA CC(C)(C)OC(=O)N1CC(O)([C@@H](N)c2cncnc2)C1 958528952 ZRJBKHJYZGXBGV-JTQLQIEISA-N 280.328 0.458 0 50 CCAA CN1CCC(NCc2cn(-c3cccnc3)nn2)CC1 899688295 MQTAKTMXKOZEFU-UHFFFAOYSA-N 272.356 0.846 0 50 CCAA CN1CCn2nc(NC(=O)[C@@H]3C[C@@H]4C[C@H](N)[C@@H]4C3)cc2C1 1775961252 JSGNEGQEGGNPFQ-WFFHOREQSA-N 289.383 0.640 0 50 CCAA C[C@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cnccn1 1775959684 OZHFSRDBESSAJB-YRRQLQLVSA-N 259.313 0.698 0 50 CCAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CO 1565527528 HCDFKEHHOMRNST-OCCSQVGLSA-N 288.347 0.742 0 50 CCAA Cc1cc(S(=O)(=O)N(CCO)CCO)sc1C 271723581 RYDGAUVXRONMHS-UHFFFAOYSA-N 279.383 0.340 0 50 CCAA O[C@@H]1CN(Cc2c(F)cccc2F)C[C@H]1n1ccnn1 585116166 JMFLKSFGEQKZEW-CHWSQXEVSA-N 280.278 0.974 0 50 CCAA CCOC(=O)N1CCN(C(=O)C[C@@H]2CCNC2)CC1 89745792 GOXUJQWOSQSYMW-NSHDSACASA-N 269.345 0.287 0 50 CCAA CO[C@@H]1CCC[C@H](CC(=O)N2CCS(=O)(=O)CC2)C1 408310418 RUYOPTCLJYGQRO-NWDGAFQWSA-N 289.397 0.839 0 50 CCAA Cc1occc1CN(C)C(=O)CN1CCCC[C@H](O)C1=O 644324602 PNWAFOCGEDBZBK-ZDUSSCGKSA-N 294.351 0.920 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)NCC1CCNCC1 1506427883 UMHIVXGIXQGHGG-JTQLQIEISA-N 251.334 0.030 0 50 CCAA CCOCCNS(=O)(=O)N1CCC[C@@H](COC)C1 1529111226 URTDNDKOCONTCH-LLVKDONJSA-N 280.390 0.216 0 50 CCAA COCCN1CC[C@@H](CNc2nc(N)[nH]c3ncnc2-3)C1 1529158603 GBENNRWORHVCFW-VIFPVBQESA-N 291.359 0.267 0 50 CCAA CC[C@@H]1C=CCN1C(=O)Cn1cc(C)c(O)nc1=O 1857685938 ARUPBOVWLKWLJN-SNVBAGLBSA-N 263.297 0.434 0 50 CCAA Cc1cc(C(N)=O)c(N2CCO[C@H](C(=O)O)C2)nc1C 1704315671 BDFASSZYQOEZMN-JTQLQIEISA-N 279.296 0.087 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC2(CCC2)[C@@](F)(CO)C1 1875370452 PAGNVDJKMRERFC-AWEZNQCLSA-N 284.331 0.344 0 50 CCAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N1CCCCO1 11816200 AHXGYCHMKWISCX-ZDUSSCGKSA-N 297.399 0.777 0 50 CCAA O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCOCC1 13098351 VXCRDHAXAIKGBV-VXGBXAGGSA-N 292.335 0.187 0 50 CCAA CCc1nc(CN(C)Cc2nc(CCOC)no2)no1 151105169 SYJFVHGRKNKCJW-UHFFFAOYSA-N 281.316 0.836 0 50 CCAA Cc1cnc(N2CC[C@@](O)(Cn3ccnn3)C2)nc1C 671466127 BPQNOASBTRRQGK-ZDUSSCGKSA-N 274.328 0.326 0 50 CCAA CCc1noc(CC)c1CNC(=O)[C@H]1NCCO[C@@H]1C 261837597 ABWWYQRJALBHJW-RNCFNFMXSA-N 281.356 0.793 0 50 CCAA Cc1cc(CNc2n[nH]cc2C(=O)N(C)C)nn1C 902659570 OSTGKKOKUAVRKT-UHFFFAOYSA-N 262.317 0.766 0 50 CCAA Cc1ccnc(CN2CCCC[C@@H]2CS(N)(=O)=O)n1 931228725 DWQHXISUABQSDF-LLVKDONJSA-N 284.385 0.428 0 50 CCAA CCOC(=O)[C@H](CC)N1CCC[C@@H](NS(C)(=O)=O)C1 229606475 PKPWHCLIEOGMMQ-MNOVXSKESA-N 292.401 0.342 0 50 CCAA O=C(CCc1nc2ccccc2[nH]1)N[C@H]1COC[C@@H]1O 323006146 UDZCBRXBQLNKMJ-RYUDHWBXSA-N 275.308 0.371 0 50 CCAA CCn1nccc1C(=O)Nc1cnn(CC(=O)O)c1 647744215 YWDYNOSARGHRQF-UHFFFAOYSA-N 263.257 0.436 0 50 CCAA Cc1nc([C@@H](C)NCc2c(CO)cnc(C)c2O)n[nH]1 392334176 FVFZQVLNYSGDOM-MRVPVSSYSA-N 277.328 0.865 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(CNCCC(=O)N2)C1 2325712090 HWWYXIVFUVVRSX-ZDUSSCGKSA-N 269.345 0.476 0 50 CCAA O=C(O)CSC[C@H](NC(=O)c1ccccc1)C(=O)O 1641341 ZNPRRHVZHMGIKB-VIFPVBQESA-N 283.305 0.687 0 50 CCAA biogenic COc1ccc(NC(=O)C(=O)NCCCO)c(OC)c1 2025905 PWRYTHDMJCNFBH-UHFFFAOYSA-N 282.296 0.141 0 50 CCAA O=C(NCCC(=O)N1CCNC1=O)OCc1ccccc1 2268803 VMBNHPPMAVPLJG-UHFFFAOYSA-N 291.307 0.855 0 50 CCAA Cc1ccc(OC[C@H](O)CN(CCO)CCO)c(C)c1 2388714 FKMPEHXRRXIFLS-CQSZACIVSA-N 283.368 0.330 0 50 CCAA O=S1(=O)N=C(NC[C@@H]2CCCO2)c2ccccc21 3435701 MNKXXCNMCUJCGG-VIFPVBQESA-N 266.322 0.904 0 50 CCAA CCN1CCC(N2CCN(CCOCCO)CC2)CC1 22027702 QFFXUCDROCFKEL-UHFFFAOYSA-N 285.432 0.097 0 50 CCAA CN1CCN(Cc2ccc3nonc3c2)C[C@@H]1CCO 23231548 ZFMQHSCKYDSYDG-LBPRGKRZSA-N 276.340 0.721 0 50 CCAA COC(=O)CN1CCC(N[C@H](C)CSC)CC1 67678518 YZLROVLSAPEFOI-SNVBAGLBSA-N 260.403 0.965 0 50 CCAA COC(=O)c1ccccc1CN1CCO[C@@H](C(=O)OC)C1 353422891 OTZJOUUWIGOXIZ-CYBMUJFWSA-N 293.319 0.847 0 50 CCAA c1cnn(CCNc2nccc(N[C@@H]3CCCOC3)n2)c1 328648023 UGOFNSFEOUZHHK-GFCCVEGCSA-N 288.355 1.376 0 50 CCAA CSCCC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328630793 QFAXFOSWPZYSPU-SNVBAGLBSA-N 268.386 0.978 0 50 CCAA C[C@H](CCn1cccn1)NC(=O)c1c[nH]c(=O)cn1 67675661 VHKKHWGZMCGXJT-SECBINFHSA-N 261.285 0.175 0 50 CCAA Cc1nc(N(C)C)[nH]c(=N[C@H]2CC(=O)N3CCCC[C@H]23)n1 328805062 NBPWYEVMTMPCOC-WDEREUQCSA-N 290.371 0.233 0 50 CCAA CN(C)c1ccc(C(=O)N2CCC[C@H]2C(=O)O)nn1 155798155 ITXPXMZACWXGPJ-VIFPVBQESA-N 264.285 0.232 0 50 CCAA O=C(NCCN1CCCC1=O)[C@@H](O)c1cccc(F)c1 215010249 CDSIYEJTUHMKQR-ZDUSSCGKSA-N 280.299 0.598 0 50 CCAA Cc1cnc(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)[nH]1 215281679 BSHPQGMGAPMFIR-CYBMUJFWSA-N 278.312 0.775 0 50 CCAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@](C)(O)CC1 373418301 POSQFCJCHZKXEW-AWEZNQCLSA-N 297.355 0.080 0 50 CCAA CN(CCC(=O)O)S(=O)(=O)c1cnn(CC(F)F)c1 262485122 TXTPXPZQMQTNCR-UHFFFAOYSA-N 297.283 0.243 0 50 CCAA NC(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 72164360 JSQYMYJZNKVOFH-ZDUSSCGKSA-N 275.352 0.295 0 50 CCAA O=C(c1n[nH]c2c1CCCC2)N1CCC[C@](O)(CO)CC1 72164798 WUZQWFIMCNBADK-OAHLLOKOSA-N 293.367 0.638 0 50 CCAA O=C(NC[C@@H]1CCNC1)[C@H]1CCCN1C(=O)C1CCCC1 342732633 KNPZVLXHRQYQAF-TZMCWYRMSA-N 293.411 0.893 0 50 CCAA Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)nn1C 340144736 UMPYMUWQNBKQLS-LLVKDONJSA-N 271.342 0.036 0 50 CCAA CCn1cc(CN(C(=O)[C@H]2CCNC2=O)C(C)C)cn1 616545784 DRHYDCGECFOCKL-LBPRGKRZSA-N 278.356 0.776 0 50 CCAA Cn1ccnc1[C@H](NC(=O)Cn1ccnn1)C1CC1 426370337 IGQIGVCAOPNKQY-LLVKDONJSA-N 260.301 0.279 0 50 CCAA CON1CCC(CC(=O)N2CCOCCN2)CC1 615483412 OVTUVQDYASXCAO-UHFFFAOYSA-N 257.334 0.013 0 50 CCAA Cc1ccccc1SCC(=O)NCCc1n[nH]c(=O)[nH]1 80943214 LKKQQZIMLQVDJK-UHFFFAOYSA-N 292.364 0.857 0 50 CCAA CC(=O)NC(C)(C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 426647868 DELHTVPLBBVTJT-QMMMGPOBSA-N 266.345 0.680 0 50 CCAA O=C(NCc1cnc2cnccn12)c1n[nH]c2c1CCC2 426548550 QVUHZYKBHRMWHU-UHFFFAOYSA-N 282.307 0.871 0 50 CCAA CCc1ncc(C(=O)N[C@@H](CC(C)C)C(N)=O)cn1 95380393 VCTAHKYTAYSZGY-JTQLQIEISA-N 264.329 0.669 0 50 CCAA CCc1ncc(C(=O)NCCc2cc(=O)[nH]c(C)n2)cn1 95355385 QWAURLPTWSIMCW-UHFFFAOYSA-N 287.323 0.403 0 50 CCAA O=C(Cn1cn[nH]c1=O)N1CCC[C@H]2CCC[C@@H]21 180575168 CFAOVIFTZVGEDX-ZJUUUORDSA-N 250.302 0.363 0 50 CCAA CCc1ncc(C(=O)N[C@@H]2CCCCNC2=O)cn1 95375328 VWPGJCIVJGZWNC-SNVBAGLBSA-N 262.313 0.438 0 50 CCAA Cc1cc(C)n(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 91914995 NBLCPGGZJHQGKO-LBPRGKRZSA-N 290.367 0.627 0 50 CCAA CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 246977594 HCAZMJVOVJBPIV-GHMZBOCLSA-N 255.362 0.487 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)O)CC1 299747034 BXVMWQUYVBMMSL-SNVBAGLBSA-N 286.353 0.231 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(Cl)cn1 299743812 MJTHEQUKNILSEI-APPZFPTMSA-N 271.679 0.773 0 50 CCAA COC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 259471959 RIKKXEORXDOEJL-UHFFFAOYSA-N 265.265 0.543 0 50 CCAA CCCn1nccc1S(=O)(=O)NC[C@H]1CCCNC1 534657444 FIPUYYVAVVXRIF-NSHDSACASA-N 286.401 0.571 0 50 CCAA CCNC(=O)[C@H]1CCN(C(=O)CCCC(=O)O)C1 534584927 DOMUVGRSCQFGNZ-VIFPVBQESA-N 256.302 0.226 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@@H](CC(=O)O)C(C)C)c(=O)n1 534642183 SPFHVBYQPSQEED-NSHDSACASA-N 295.339 0.476 0 50 CCAA Cc1nc[nH]c1C(=O)N[C@H]1COC[C@@H]1N1CCCC1 534640006 PGLSAQUMPXZGIN-QWRGUYRKSA-N 264.329 0.311 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)CCCC(=O)O)C1 534649314 REOVSKQPZOUHLJ-LLVKDONJSA-N 272.345 0.278 0 50 CCAA Cc1nc(C)c(C)c(NC[C@@H]2CN(C)C(=O)CO2)n1 825269920 YPIUHZWUNWWBOE-LLVKDONJSA-N 264.329 0.671 0 50 CCAA C[C@@H](NC(=O)CNC(=O)c1ccccc1)c1nncn1C 584889524 FYRHIJZMWRVDGO-SNVBAGLBSA-N 287.323 0.422 0 50 CCAA O=C1CC[C@@H](CN2CCC(C(=O)N3CCOCC3)CC2)O1 670435459 KMIGAHRAKWHRJY-ZDUSSCGKSA-N 296.367 0.263 0 50 CCAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)[C@@H]1CCCO1 585820734 LMLYECQFSQRKMY-ZDUSSCGKSA-N 295.383 0.962 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCCC1(O)CCCC1 670437979 PVEQVDCBPDWMNI-VIFPVBQESA-N 258.318 0.542 0 50 CCAA CCOC(=O)c1nn(CCN(C)C)c2c1CNCC2 67966451 FMYLEMQGBKXYHY-UHFFFAOYSA-N 266.345 0.267 0 50 CCAA COC(=O)[C@@]1(F)CNC[C@H]1CNC(=O)OC(C)(C)C 1554770580 FJCGDYJDBWPFQT-QPUJVOFHSA-N 276.308 0.612 0 50 CCAA CNC(=O)C[C@@H]1CN(Cc2ccc(OC)cn2)C[C@H]1O 1875399534 ZQIIDQVWICXZLP-ZWNOBZJWSA-N 279.340 0.019 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)[C@@]1(C)CCOC1 1875380741 YDBJWPIPDNHEMZ-ZDUSSCGKSA-N 254.330 0.658 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCc2cn(CC)nn2)CC1 1875366113 MXWKLGAQSFOAKF-UHFFFAOYSA-N 291.355 0.339 0 50 CCAA CCCn1cc(C(=O)NC[C@H]2CNCCO2)c(C)n1 1122068308 PEHICCZWYRRSDE-LLVKDONJSA-N 266.345 0.320 0 50 CCAA CCOc1cccc(CC(=O)N[C@]2(C)CCNC2=O)n1 889023198 UXZYERVXNYHMKJ-CQSZACIVSA-N 277.324 0.418 0 50 CCAA NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](Cc2nccs2)C1 890206752 RNZDJIQHFDMBHG-BBBLOLIVSA-N 279.365 0.656 0 50 CCAA O=S(=O)(C[C@@H]1CC2(CCC2)CO1)N1CCOCC1 1434547156 CIWKVTNZLPTPCB-NSHDSACASA-N 275.370 0.608 0 50 CCAA COC[C@@]1(C)NC(=O)N(CCO[C@@H]2CCCCO2)C1=O 170616327 RIEFIKKHKJCIHR-ZWNOBZJWSA-N 286.328 0.487 0 50 CCAA CCC[C@H](C)CS(=O)(=O)NCC(F)(F)CN 186988397 OQPJIZRKSUNMLH-QMMMGPOBSA-N 258.334 0.936 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)co1 583617730 JOGMSJMKFQYROE-ZDUSSCGKSA-N 276.296 0.830 0 50 CCAA CCNS(=O)(=O)[C@H]1CCN([C@H](CC(C)C)C(=O)O)C1 577118260 WEPWHAAIBYBBLZ-WDEREUQCSA-N 292.401 0.499 0 50 CCAA CNC(=O)C[C@@H]1CCN(c2nccnc2OC)C1 1506414314 XSBFBQNECZDBHE-VIFPVBQESA-N 250.302 0.448 0 50 CCAA Cc1cc(F)ccc1N1CCC(N[C@@H](CO)C(N)=O)CC1 1506398726 SHJJPOFJWQDUMI-ZDUSSCGKSA-N 295.358 0.539 0 50 CCAA CC1(C)CN(C[C@@H](O)Cn2cccn2)[C@H]2COC[C@H]21 1857528757 RNTSBKZPNBSCMZ-UPJWGTAASA-N 265.357 0.601 0 50 CCAA c1nncn1C1CCN(CC[C@@H]2COCCO2)CC1 1800414344 NYXDWXPVOMTBGG-CYBMUJFWSA-N 266.345 0.721 0 50 CCAA CCc1ccc2c(CNC(CO)CO)cc(=O)oc2c1 408523649 MCEAVPGXXKKGSE-UHFFFAOYSA-N 277.320 0.798 0 50 CCAA Cc1nc2cccc(N)c2c(=O)n1[C@H]1CCC(=O)NC1=O 113477077 RSNPAKAFCAAMBH-JTQLQIEISA-N 286.291 0.265 0 50 CCAA in-vitro O=C(CCN1CCCS1(=O)=O)N1CC(CC(F)F)C1 333393531 DIPDODGMLRLCAY-UHFFFAOYSA-N 296.339 0.526 0 50 CCAA CCc1c(C(=O)N2CC(O)C2)cnn1CC(C)C 156390685 WEOXJCHVOWXKIM-UHFFFAOYSA-N 251.330 0.918 0 50 CCAA O=C(c1cncc(Br)c1)N1CCNCC1 14007805 LRCQANGFZMRSDK-UHFFFAOYSA-N 270.130 0.890 0 50 CCAA O=C(c1ncc[nH]1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1857732803 HUBRXAYISCXGSM-STQMWFEESA-N 287.319 0.984 0 50 CCAA N=c1[nH]nc(N2CCC3(CC2)COC(=O)O3)s1 1857708855 QSUKFIVTPKUTNP-UHFFFAOYSA-N 256.287 0.456 0 50 CCAA O=C(O)Cn1ccc(=NC(=O)c2ccc3c(c2)CCO3)[nH]1 537368472 MSRDPCMHNHCDGQ-UHFFFAOYSA-N 287.275 0.577 0 50 CCAA NC(=O)c1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)s1 332251303 SNHRMABIBUNEEW-SSDOTTSWSA-N 291.336 0.183 0 50 CCAA NC(=O)[C@H]1CN(C(=O)CC[C@@H](N)c2ccccc2)CCO1 237899803 JDFWERMYYLXJRZ-CHWSQXEVSA-N 291.351 0.179 0 50 CCAA OCCN1CCN(C[C@H](O)COCc2ccccc2)CC1 19419242 QZBVIGCIUHSXKF-INIZCTEOSA-N 294.395 0.174 0 50 CCAA CS(=O)(=O)N1CCOc2ccccc2[C@@H]1C(=O)O 903516275 YSFGDSNGNYBPDO-SNVBAGLBSA-N 271.294 0.466 0 50 CCAA O=C(O)C1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 821509303 NDRPIQCIRBGKEU-LLVKDONJSA-N 277.324 0.769 0 50 CCAA N[C@H]1C[C@@H](NC(=O)c2coc(CO)c2)C12CCC2 1263264289 HTHGVRRSLVJTDQ-WDEREUQCSA-N 250.298 0.772 0 50 CCAA O=C1CC[C@@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)CN1 123020388 LTBWATFLXXNZRJ-ZYHUDNBSSA-N 276.292 0.455 0 50 CCAA COc1cccc(OCCNC(=O)[C@@H]2CCNC2)c1 237284657 QFFVLIQNCQRWEK-LLVKDONJSA-N 264.325 0.800 0 50 CCAA CCc1nc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c[nH]1 70421664 ZXENFPQSLIVNQZ-SNVBAGLBSA-N 298.412 0.735 0 50 CCAA N[C@@]1(CO)CCCN(c2nc(C3CC3)ns2)C1 900375985 RNXUOCWXEFDVIV-NSHDSACASA-N 254.359 0.706 0 50 CCAA CC(=O)Nc1cc(C(=O)N2CC[C@H](CO)[C@@H]2C)ccn1 2325758503 PLZVSSXEPBIHCV-JOYOIKCWSA-N 277.324 0.883 0 50 CCAA COc1ccnc(-c2cn(Cc3cc(CN)on3)nn2)n1 2325865877 SZTVSPDVSYCCJB-UHFFFAOYSA-N 287.283 0.239 0 50 CCAA CCN(CC)CCCCn1c(C)cc(=O)n(C)c1=O 2381330 ZLYMZGJZSKVCAE-UHFFFAOYSA-N 267.373 0.977 0 50 CCAA Cc1ccc(C(=O)NCCNC(=O)c2nonc2N)cc1 2484318 LJVBEOOQHPYDFE-UHFFFAOYSA-N 289.295 0.120 0 50 CCAA COc1ccc(CCNC(=O)C(=O)N2CCCC2)cc1 2860282 BMFJCKDTYKKGEO-UHFFFAOYSA-N 276.336 0.976 0 50 CCAA CCN(CC)C(=S)S[C@@H]1CS(=O)(=O)C[C@H]1O 3076433 TULIRXDZFOOIPW-HTQZYQBOSA-N 283.440 0.504 0 50 CCAA O=C(O)CN1CCc2nc(-c3ccccc3)nn2CC1 2356155978 QDFWGWFSADSXDC-UHFFFAOYSA-N 272.308 0.888 0 50 CCAA CCOC(=O)CN1NC2(CCCCC2)NC1=S 8580319 CCOSADRAZZPGQJ-UHFFFAOYSA-N 257.359 0.905 0 50 CCAA Cc1ccc(CCNC(=O)CN2CCNC(=O)C2)s1 20777639 YIHWFBRLZNSJEY-UHFFFAOYSA-N 281.381 0.147 0 50 CCAA COc1c(CNS(=O)(=O)CC2CCC2)c(C)nn1C 119254764 YVNOUKQOAKVQOC-UHFFFAOYSA-N 287.385 0.957 0 50 CCAA Cc1cc(=O)[nH]c(CNC(=O)Cc2cccs2)n1 20999494 IIOHUAXSQWIZJA-UHFFFAOYSA-N 263.322 0.999 0 50 CCAA CCOC[C@H]1CCN(C(=O)NCc2cncn2C)C1 360096091 CKNPUKYVCLJXRK-NSHDSACASA-N 266.345 0.988 0 50 CCAA C[C@@H]1C[C@H](N)CCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 521394655 YSLSNWUYAIQALY-OUAUKWLOSA-N 291.355 0.101 0 50 CCAA O=c1cc(N2CCCCC2)cnn1CCCn1cnnn1 72123943 AXOQXMLXJMCVAW-UHFFFAOYSA-N 289.343 0.310 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1CCN2CCOC[C@H]2C1 371788074 IDUATEGFMGULNY-GFCCVEGCSA-N 278.356 0.112 0 50 CCAA CCc1nc(C)c(C(=O)N2CC[C@](O)(CC)[C@H](O)C2)o1 72423460 YTTWJLWEGVFLFH-QMTHXVAHSA-N 282.340 0.893 0 50 CCAA COCc1nc(C(=O)N2CCOC[C@@]23CCOC3)cs1 333047352 GJLBFZHMZZTUHH-ZDUSSCGKSA-N 298.364 0.921 0 50 CCAA Oc1n[nH]c(CN[C@@H]2CCc3ccccc3OC2)n1 338316209 JZLRWAIGRFBVDM-SNVBAGLBSA-N 260.297 0.994 0 50 CCAA NS(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1 73714170 HZRDOSPBZMMKSC-QPJJXVBHSA-N 281.381 0.521 0 50 CCAA CC[C@H](NC(=O)C(=O)c1cccnc1)[C@H]1C[C@H](O)C1 223183105 YKPNPFGSVXJKHA-TUAOUCFPSA-N 262.309 0.930 0 50 CCAA CCOC[C@@H]1CN(C(=O)NCC[C@H]2CCCNC2)CCO1 529331183 JDEKCCQVCVYLIA-KGLIPLIRSA-N 299.415 0.823 0 50 CCAA Cc1ccc(=O)n(Cc2nc([C@@H]3CCOC3)no2)n1 96160661 MOKHRNHOAVXMTC-SECBINFHSA-N 262.269 0.487 0 50 CCAA CN(C[C@@H]1CCOC1)C(=O)C(C)(C)N1CCOCC1 346363971 FPSKXNGMRWSBKN-LBPRGKRZSA-N 270.373 0.592 0 50 CCAA O=S(=O)(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)C1CC1 252480929 CGJNZANXNGVAJY-ZYHUDNBSSA-N 289.397 0.636 0 50 CCAA Cc1nc(CNC(=O)[C@@H]2C=CCN2)nc2c1CCCC2 534658145 DNFLSUXQJHIEQW-ZDUSSCGKSA-N 272.352 0.808 0 50 CCAA O=C(CCCc1cn[nH]c1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 534642847 OQFNCHJZAOAIEH-KPWCQOOUSA-N 274.368 0.941 0 50 CCAA O=C1CC[C@H](C(=O)NC2(C3CCCC3)CC2)NC(=O)N1 534672603 LXFXVKYSKNDOQG-SNVBAGLBSA-N 279.340 0.814 0 50 CCAA COC[C@@H](NC(=O)C1(C)COC1)c1ccccn1 534587814 YYIVHKVVYOQNRK-LLVKDONJSA-N 250.298 0.922 0 50 CCAA O=C([C@H]1C=CCN1)N1CCCN(c2ncccn2)CC1 534648557 ZIWLDUPYPCOXPQ-GFCCVEGCSA-N 273.340 0.043 0 50 CCAA O=C(Nc1ccc(F)c(Cl)c1)N[C@@H]1CNC[C@H]1O 534629400 MBTJLBJTJPFOKO-NXEZZACHSA-N 273.695 0.933 0 50 CCAA CSCC(=O)NC1CCN(c2cnccn2)CC1 299788186 QSKLATAWEHZOEM-UHFFFAOYSA-N 266.370 0.925 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)CCCc2cn[nH]c2)C1 823821155 YTURQXVMBUPHNE-LLVKDONJSA-N 278.356 0.717 0 50 CCAA CCCOC[C@@H]1CCN(C(=O)Cn2nc(C)ccc2=O)C1 584887084 PFBYLQWDYCSGSP-CYBMUJFWSA-N 293.367 0.827 0 50 CCAA CN(CC1CCC1)C(=O)[C@@]1(O)CN2CCC1CC2 1875321796 VVXAKYUDKJKVKN-CQSZACIVSA-N 252.358 0.702 0 50 CCAA NCC1CN(C(=O)c2cccc(-c3ccc(O)nn3)c2)C1 1875326455 CHLHEDMORQQMAE-UHFFFAOYSA-N 284.319 0.880 0 50 CCAA C[C@H](ONC(=O)[C@@H]1COCCO1)c1ccncc1 1875298366 YGBINJAEMNZJJW-ONGXEEELSA-N 252.270 0.606 0 50 CCAA C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C(=O)NO[C@@H]1CCOC1 1875259380 CWDFFTZVFMEFRN-NDBYEHHHSA-N 296.367 0.860 0 50 CCAA CN1CCC[C@@H]1CN(CC(N)=O)C1CCOCC1 880395019 CMKMOFSDIMSYBE-GFCCVEGCSA-N 255.362 0.047 0 50 CCAA O=C1NCCN1CC1CCN(C(=O)c2ccccn2)CC1 887663455 BISULFNOUKHIDF-UHFFFAOYSA-N 288.351 0.959 0 50 CCAA O=S1(=O)CCC(CN[C@]23CCC[C@@H]2NCC3)CC1 1775961180 FDKCXBTUUOBRRT-STQMWFEESA-N 272.414 0.685 0 50 CCAA COc1ccnc(N2CCC[C@H](c3nc(=N)n(C)[nH]3)C2)n1 1776006179 RWZCSTMXQDFJSP-VIFPVBQESA-N 289.343 0.410 0 50 CCAA O=S(=O)(NCc1cn(-c2ccc(O)cc2)nn1)C1CC1 899691818 BDSOPJXPSMVLHF-UHFFFAOYSA-N 294.336 0.555 0 50 CCAA CN(C[C@H](O)CN1CCOCC1)c1nccc2occc12 170024340 KHPJUHLQXMNCNS-LBPRGKRZSA-N 291.351 0.957 0 50 CCAA Cc1ccc(NC(=O)N2CC[C@](O)(C(N)=O)C2)cc1 170613515 YIDCNFIFMVRLHY-CYBMUJFWSA-N 263.297 0.449 0 50 CCAA CN(C)c1noc(CNC(=O)NCc2ccncc2)n1 225853366 MTGINVVACHSRGE-UHFFFAOYSA-N 276.300 0.530 0 50 CCAA O=C(CCCc1nn[nH]n1)N1CCC[C@@H]1CN1CCCC1 635452711 HURRTFDCUXVECE-GFCCVEGCSA-N 292.387 0.609 0 50 CCAA CC(=O)N1CC(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)C1 188615520 DJODJFDACJEJRZ-AWEZNQCLSA-N 292.335 0.966 0 50 CCAA COc1ccnc(CN2CC[C@](O)(Cn3ccnn3)C2)c1 671553117 IVHWQUWYAQMSRO-CQSZACIVSA-N 289.339 0.319 0 50 CCAA CC(C)c1ncc(S(=O)(=O)NC[C@H](O)C2CC2)[nH]1 676324350 ZBGVYOCAWSAWLX-VIFPVBQESA-N 273.358 0.582 0 50 CCAA OCC1(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)COC1 583616811 JHDSNNFTOCGLNC-KGLIPLIRSA-N 281.327 0.942 0 50 CCAA CC[C@@H]1C(=O)NCCN1C[C@@H](OC)[C@@H]1CCOC1 585094092 AIEKOZFESKQKLV-IJLUTSLNSA-N 256.346 0.248 0 50 CCAA CC(=O)N1CC[C@@](O)(COc2nc(C)cc(C)n2)C1 585117904 ZQGHDOQCNAWKAK-ZDUSSCGKSA-N 265.313 0.456 0 50 CCAA CC[C@H]1C(=O)NCCN1Cc1cc(C(=O)OC)no1 585116658 DNPINELSYSPGGY-JTQLQIEISA-N 267.285 0.172 0 50 CCAA CS(=O)(=O)CC1(Cn2c(=O)oc3cccnc32)CC1 679280804 RMOYJIUFFRGIGW-UHFFFAOYSA-N 282.321 0.814 0 50 CCAA CCC(CC)(CO)CN(C)C(=O)c1ncc[nH]c1=O 1506406911 HMSCXLZKXQFGJQ-UHFFFAOYSA-N 267.329 0.641 0 50 CCAA O=C([C@@H]1CC=CCC1)N1CCCS(=O)(=O)CC1 328812382 FPBAIBJYOQDEKV-LLVKDONJSA-N 257.355 0.990 0 50 CCAA CC[C@@H](C(=O)N(CCO)Cc1ncc[nH]1)N(C)C 1704312125 KNTBOGARYWXXRR-JTQLQIEISA-N 254.334 0.071 0 50 CCAA Cc1ccncc1C(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704352322 CGCVIRPNHGBFHH-IUODEOHRSA-N 298.346 0.856 0 50 CCAA CC(=O)NC[C@H]1CCCN(C)[C@H]1c1cnn(C)c1 370916084 FUNRDRPUIJXTOK-DGCLKSJQSA-N 250.346 0.939 0 50 CCAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccoc1)C2 1772703131 GXEVISIUFMZLAT-NEPJUHHUSA-N 250.298 0.569 0 50 CCAA CCCc1nc2c(=O)n(C)c(=O)[nH]c2n1CCC 18270672 OVAQNLROJBJQTA-UHFFFAOYSA-N 250.302 0.786 0 50 CCAA COc1ccccc1OCCN(C)C(=O)[C@@H]1C[C@H](O)CN1 237145039 KLIQXTSNWAZXGR-RYUDHWBXSA-N 294.351 0.255 0 50 CCAA COc1c(F)ccc(F)c1C(=O)NC[C@H]1CNCCO1 423984406 BPFAKGVLDFMYMT-MRVPVSSYSA-N 286.278 0.692 0 50 CCAA COC(=O)[C@]1(C)CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C 407967003 OWNJLOSUSPWEMX-ISTVAULSSA-N 297.355 0.187 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)c2ccc(Cl)cn2)C1 644001432 MNZLIWKEWXCNCD-CYBMUJFWSA-N 297.742 0.578 0 50 CCAA CC1(C)[C@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@H]21 266103423 QXRKTAHMHRMYKE-AOOOYVTPSA-N 271.324 0.781 0 50 CCAA CN(C)S(=O)(=O)NCc1cccn2nccc12 1772807049 IHNQWGNWVCMBCK-UHFFFAOYSA-N 254.315 0.230 0 50 CCAA Cc1n[nH]cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(N)C1 622015026 OTWIVFWGDQDRKY-ONGXEEELSA-N 270.358 0.220 0 50 CCAA COCCOCC(=O)N1CC[C@@H](O)CC(C)(C)C1 395422470 GRPUAKCYTUXZDY-LLVKDONJSA-N 259.346 0.659 0 50 CCAA CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nccnc2n1 2325763120 KCGXWCBTOXDZRT-PHIMTYICSA-N 283.335 0.943 0 50 CCAA N=c1cc(CCNC(=O)[C@@H](F)OC(F)(F)F)cc[nH]1 2325804717 KHQMFAVAEOMLMO-QMMMGPOBSA-N 281.209 0.985 0 50 CCAA CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 113415 METKIMKYRPQLGS-LBPRGKRZSA-N 266.341 0.452 0 50 CCAA biogenic,fda O=S(=O)(Nc1ccc(F)cc1)N1CCOCC1 4384904 OIAWSPBFDGUORX-UHFFFAOYSA-N 260.290 0.815 0 50 CCAA NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)cs1 6859509 QHVLGVLSMJOJNH-SSDOTTSWSA-N 290.366 0.304 0 50 CCAA CNC(=O)CC(=O)NC[C@@H]1COC2(CCCCCC2)O1 119024885 IBAIBVYUQBGTJQ-LLVKDONJSA-N 284.356 0.705 0 50 CCAA COc1cccc(N2C[C@H](C(=O)NCCN)CC2=O)c1 20728365 HYQGXDKSKYTVCL-SNVBAGLBSA-N 277.324 0.123 0 50 CCAA CSCC[C@H](C(=O)O)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100874854 HIWBZTSNLZFSAZ-QUARPLMYSA-N 295.360 1.000 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1ccncc1 128197118 DGHQZBTYJTXJFN-JTQLQIEISA-N 250.254 0.397 0 50 CCAA Cn1cc([C@H]2CN(c3ncccc3F)C[C@@H]2C(N)=O)cn1 284537599 FPEUCRJAYDRFPX-MNOVXSKESA-N 289.314 0.660 0 50 CCAA Cn1nccc1CCN1Cc2ccccc2C[C@H]1C(N)=O 253420037 FMXPVNHDZDNGST-HNNXBMFYSA-N 284.363 0.875 0 50 CCAA Cc1cc(C(=O)NC[C@H]2CCn3ccnc3C2)n(C)n1 328623712 JIEJRFZAPMHXSB-NSHDSACASA-N 273.340 0.917 0 50 CCAA CCCN(C(=O)c1cccc(C)n1)[C@H]1CC(=O)N(C)C1=O 283517697 LHXWUGOFUSTKJO-LBPRGKRZSA-N 289.335 1.000 0 50 CCAA O=C(NCCCc1nnc2ccccn12)[C@H]1C[C@H]1C(=O)O 362492359 LIGLKWSKVNPUHZ-VHSXEESVSA-N 288.307 0.499 0 50 CCAA NC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ccccc2)C1 71439431 NVUPCWCNINCSAI-LBPRGKRZSA-N 297.380 0.218 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)C[C@H]1CCCCO1 128225782 IXDKYHUTLHPAFH-WDEREUQCSA-N 271.313 0.648 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1C(N)=O 284874653 YXFOIVAYHUBDHQ-MWLCHTKSSA-N 268.338 0.429 0 50 CCAA Cc1nn(CC(=O)NC2(C(N)=O)CCCC2)c(C)c1C 215942935 PUOWUXSHZQZELR-UHFFFAOYSA-N 278.356 0.723 0 50 CCAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cnn[nH]1 219583546 LNBJJTQWVVVBLM-NEPJUHHUSA-N 280.328 0.675 0 50 CCAA C[C@H](Cn1cncn1)NC(=O)N(C)C[C@H]1CCCC[C@H]1O 241301104 LQJGPCCOUGRFMC-JHJVBQTASA-N 295.387 0.859 0 50 CCAA COC1CCC(NC(=O)N[C@H]2CCCN(C)C2=O)CC1 528009171 IRFFRDYQMZRBQO-MCIGGMRASA-N 283.372 0.864 0 50 CCAA CCO[C@H]1C[C@](CO)(NC(=O)NCCC(=O)O)C1(C)C 263351202 HWCZNIZRQVFKLS-TVQRCGJNSA-N 288.344 0.326 0 50 CCAA CCc1cc(CNC(=O)[C@H](C)NC(=O)OC)on1 220000077 SBSAPZJTBPDGLA-ZETCQYMHSA-N 255.274 0.598 0 50 CCAA CCc1ccc(O)c(NC(=O)CS(=O)(=O)NC)c1 179812596 NMCCCCHWNPEFJP-UHFFFAOYSA-N 272.326 0.442 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)c2ccc3nccn3c2)C1 178260618 CNLCXIDCVNCGLJ-JTQLQIEISA-N 259.265 0.881 0 50 CCAA CC(C)CC(=O)N1CCC(NC(=O)Cn2ccnn2)CC1 426508143 UEDLLWMLROOTHJ-UHFFFAOYSA-N 293.371 0.431 0 50 CCAA COc1ccnc(CN2CC[C@@H](CN)C2)c1OC 232197892 HIZQMAWRGGNDLV-JTQLQIEISA-N 251.330 0.879 0 50 CCAA CC(=O)NC(C)(C)C(=O)NCCc1nc(C)cc(C)n1 426477642 BKCWJZULMTVGHN-UHFFFAOYSA-N 278.356 0.667 0 50 CCAA Cc1nc(CNC(=O)CN(C)C(N)=O)sc1C 426361920 JRRWDFTTYBBJJJ-UHFFFAOYSA-N 256.331 0.387 0 50 CCAA Cn1cc([C@H]2CNCCN2C(=O)c2cccn2C)cn1 181355277 XSTLMNKWQKLFDP-CYBMUJFWSA-N 273.340 0.545 0 50 CCAA CCN1C[C@@H](C(=O)NCC2(Cn3ccnc3)CC2)CC1=O 95369854 QAYXYCSACOGPHS-LBPRGKRZSA-N 290.367 0.648 0 50 CCAA CC(C)(C)n1cc(C(=O)N2CCO[C@H](C(=O)O)C2)cn1 236762647 DLFFUXVZLYADQY-JTQLQIEISA-N 281.312 0.564 0 50 CCAA Cc1nn(C)c2ncnc(N3CCN4CCC[C@H]4C3)c12 244734945 NOKFMVSGYAXOKI-NSHDSACASA-N 272.356 0.956 0 50 CCAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cnn[nH]1 244594266 DJLSUDATFNLSTG-SBMIAAHKSA-N 273.296 0.442 0 50 CCAA CC(=O)Nc1cccc(N2C(=O)N[C@H](CC(=O)O)C2=O)c1 247911924 DYTTYLCPOPFJKJ-SNVBAGLBSA-N 291.263 0.545 0 50 CCAA O=C(CN1CCCCCC1)NCCN1CCOCC1 242461679 BQXHKCHSFPQUPB-UHFFFAOYSA-N 269.389 0.311 0 50 CCAA C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1ccon1 257366016 GESBMRIWCITUBS-JQWIXIFHSA-N 285.369 0.673 0 50 CCAA CC1(C)O[C@H]2[C@@H](CO[C@]3(CO)OC(C)(C)O[C@H]23)O1 252438273 PSSHGMIAIUYOJF-JXVAYASWSA-N 260.286 0.377 0 50 CCAA O=C1CCCN1CCCC(=O)N1CCc2n[nH]cc2C1 252495508 ORWUXULDDBVELQ-UHFFFAOYSA-N 276.340 0.697 0 50 CCAA CC[C@H](NC(=O)CCCN1CCOCC1)c1ncnn1C 534634176 MYRNYEXYSZBEME-LBPRGKRZSA-N 295.387 0.495 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)CCc1ccc2c(c1)OCO2 534579081 XDUSZOSRERDKBD-FZMZJTMJSA-N 292.335 0.451 0 50 CCAA O=C(C1CCC1)N1CCCN(CCn2cnnc2)CC1 827939158 PCXAOZAICNFCLJ-UHFFFAOYSA-N 277.372 0.613 0 50 CCAA CC(C)N1CCNC(=O)[C@@H]1Cc1nc(-c2ccco2)n[nH]1 828314949 FEVDGCCGNDDASZ-JTQLQIEISA-N 289.339 0.816 0 50 CCAA O=C(O)CN1CCCO[C@H](CN2CCCCC2)C1 670469178 IYJZEEXTSGNFHH-GFCCVEGCSA-N 256.346 0.648 0 50 CCAA CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@](O)(CO)C1 1875272834 DCZQDRARJRBUKR-SWLSCSKDSA-N 297.326 0.939 0 50 CCAA Cn1nc(O)cc1C(=O)NCc1cccc(F)n1 1875318803 WTCPNUKXMDHNFH-UHFFFAOYSA-N 250.233 0.590 0 50 CCAA CN(C)C/C=C/C(=O)N[C@H](CO)[C@H](O)C1CCCCC1 1875377077 RSVRIEBYCVRJOJ-LBMWNBJUSA-N 284.400 0.523 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)Nc2ccnnc2C)C1=O 886088309 GKZYYETVEVDGON-GFCCVEGCSA-N 292.339 0.751 0 50 CCAA CCNC(=O)CCN[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 886077929 KEPCPXVCKRRTBJ-UPJWGTAASA-N 269.389 0.090 0 50 CCAA Cn1cnnc1CC1CCN(c2ncnc3n[nH]cc23)CC1 1516005347 HWTUTEUVVLJJLZ-UHFFFAOYSA-N 298.354 0.941 0 50 CCAA NCC[C@H]1CN(C(=O)C[C@H](O)CN)c2ccccc21 1357989962 CXVJKLJUWHOORM-QWRGUYRKSA-N 263.341 0.175 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1cc[nH]n1 1565505538 PQOZAMWJAJZLFF-JQWIXIFHSA-N 288.307 0.771 0 50 CCAA O=C(NC[C@H]1CCc2nccn2C1)[C@H]1CCCOC1 276282036 NAQRNQPRCRZZFA-NEPJUHHUSA-N 263.341 0.988 0 50 CCAA O=C1CCC[C@@H]1CNS(=O)(=O)c1cccnc1 170603683 YJWWTGFBUDPYHH-SECBINFHSA-N 254.311 0.729 0 50 CCAA CNC(=O)[C@@H]1CCCN(C(=O)C2(COC)CC2)C1 408146450 OUIWNLMBGSVDRD-SNVBAGLBSA-N 254.330 0.398 0 50 CCAA CO[C@H](C1CC1)[C@@H](C)NC(=O)[C@H]1CCCCC(=O)N1 408520591 NFZKGXGCILLDKP-XWIASGKRSA-N 268.357 0.975 0 50 CCAA CNS(=O)(=O)N1C[C@@H](CN)[C@H](c2ccccc2)C1 306065400 YAENYQFSTGDOHU-NEPJUHHUSA-N 269.370 0.125 0 50 CCAA NC(=O)[C@H]1C[C@@H](NC(=O)[C@H]2CCCN2CC(F)(F)F)C1 652791475 PXLRZUOGUUTEBR-HRDYMLBCSA-N 293.289 0.393 0 50 CCAA O[C@H]1CN(c2ncccc2F)C[C@@H]1N1CCOCC1 1506422231 PWTVCCRBVHEVQJ-RYUDHWBXSA-N 267.304 0.102 0 50 CCAA COc1nc(NCCN2CCC[C@@H](C(N)=O)C2)ncc1F 1704330777 JVPXNEJXIYNAMC-SECBINFHSA-N 297.334 0.234 0 50 CCAA CCc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2)s1 226316169 INACQSZWIHJYIF-KCJUWKMLSA-N 254.355 0.650 0 50 CCAA C[C@H](CNC(=O)C1=NN2CCCN=C2N1)c1cccs1 1615045145 YPXCLHTXEPJVKU-SECBINFHSA-N 291.380 0.946 0 50 CCAA COc1ncc(C(=O)N[C@@H]2COCC2(C)C)cn1 1615566200 YRUWJKTXTVKRKA-SECBINFHSA-N 251.286 0.640 0 50 CCAA Cc1cc(C[C@H]2CN(C(=O)c3cncn3C)C[C@@H]2O)on1 1615740412 UTYJCBYTCCGYMJ-GWCFXTLKSA-N 290.323 0.392 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CC[C@@H]2CNC[C@@H]21 1565509625 FFDMZSBAUCMAPT-MNOVXSKESA-N 284.385 0.446 0 50 CCAA CC(=O)N1CC[C@](C)(C(=O)NCc2c[nH]nc2C)C1 371831634 ZRMDGCJXJSRHTN-ZDUSSCGKSA-N 264.329 0.593 0 50 CCAA CC(C)c1nc([C@@H]2CN(C(=O)CO)CCO2)no1 373054750 WSEHOSNZXZKQRB-QMMMGPOBSA-N 255.274 0.085 0 50 CCAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccc2c[nH]nc2n1 1775976687 CJTSKMPIJAOLRF-JTQLQIEISA-N 282.307 0.968 0 50 CCAA O=C(N[C@@]12CC[C@H](O)[C@@H](SC1)[C@@H]2O)c1ccccc1 169678614 TWFRZCLIGNYBCR-OPDFLTKYSA-N 279.361 0.786 0 50 CCAA O=C(N[C@@H]1COC2(CCNCC2)C1)C1CC=CC1 1857688557 PSHKXCANYUBQBA-LBPRGKRZSA-N 250.342 0.980 0 50 CCAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cn(C)cn1)C2 1857671052 NLIPHYPIOPOQFJ-CYBMUJFWSA-N 278.312 0.477 0 50 CCAA CCn1ccnc1[C@H](C)NC(=O)N[C@H]1CCCN(C)C1=O 527991695 WLQVCKMBUJQDQU-QWRGUYRKSA-N 293.371 0.884 0 50 CCAA O=C(c1ccccc1-c1cn[nH]c1)N1CCO[C@H](CO)C1 635709795 POJSZIBKIWLPAQ-LBPRGKRZSA-N 287.319 0.910 0 50 CCAA O=C(NCCc1ccccc1F)N[C@H]1CCOC[C@@H]1O 636479680 LGJJYOKTVPOHHI-STQMWFEESA-N 282.315 0.817 0 50 CCAA CCc1nc(CN2CCC[C@]2(COC)C(=O)NC)n[nH]1 643828801 JFKFOARWRLYTHV-ZDUSSCGKSA-N 281.360 0.094 0 50 CCAA Cc1cncc(NC(=O)CN2CCCC[C@H](O)C2=O)c1 644384323 PTASWKDDQFXOBN-LBPRGKRZSA-N 277.324 0.702 0 50 CCAA Cn1cc([C@]2(C)CN(C(=O)[C@@](C)(N)C3CC3)CCO2)cn1 237714163 GQNNXBCRRZRAKS-GJZGRUSLSA-N 292.383 0.622 0 50 CCAA Cc1nn(C)cc1CN1C[C@H]2COC[C@@H]1CN(C)C2 1704311414 IPFNRSLPYDPMLV-JSGCOSHPSA-N 264.373 0.491 0 50 CCAA CCOc1cncc(CN2CC(N3CC[C@H](O)C3)C2)c1 857048975 DNLZLFRGBCBROZ-AWEZNQCLSA-N 277.368 0.731 0 50 CCAA O=C(Cc1cn2ccsc2n1)N[C@H]1CCNC1 126719326 XCHAZQWTRLVUCC-QMMMGPOBSA-N 250.327 0.416 0 50 CCAA CCc1ccc(S(=O)(=O)NC[C@]2(O)CCCNC2)cc1 534676005 GUFGYNREHLCLFH-AWEZNQCLSA-N 298.408 0.642 0 50 CCAA Cc1occc1C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 885307395 UMAGEDOVHHGIID-SECBINFHSA-N 272.326 0.339 0 50 CCAA O=C(NN1CCCCC1=O)c1cc2n(n1)C[C@H](F)C2 2325776084 IAYWFEBJGMFQJD-MRVPVSSYSA-N 266.276 0.435 0 50 CCAA Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1 874020 XTPPHZWDRNGVTM-SNVBAGLBSA-N 270.310 0.507 0 50 CCAA O=c1[nH]c(=O)n([C@H]2CCCO2)cc1Br 1069096 BXYIIBLEKYIHBE-ZCFIWIBFSA-N 261.075 0.608 0 50 CCAA CO[C@H]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC1 2356141446 BAHHXNSGGVGSHR-JOCQHMNTSA-N 293.367 0.934 0 50 CCAA Cc1cnn(CC(=O)N(C)[C@@H]2C[C@@H]3CNC(=O)C[C@@H]3C2)c1 2356162980 ODPMIAJRAAUCNF-XQQFMLRXSA-N 290.367 0.565 0 50 CCAA CC[C@@H](C(N)=O)N(c1ccc(OC)cc1)S(C)(=O)=O 65362976 PTHDGKWAHHZWDJ-NSHDSACASA-N 286.353 0.725 0 50 CCAA C[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2c2cnn(C)c2)CC1 248150697 TZSHOUKSGKGLKB-UBHSHLNASA-N 292.383 0.049 0 50 CCAA CCN(Cc1nc(COC)no1)C(=O)[C@H]1CCCO1 55119373 BQPYKKOCBAFKCQ-SECBINFHSA-N 269.301 0.744 0 50 CCAA CCOC(=O)[C@@H]1CC[C@H](C)N(CC(=O)NC(N)=O)[C@@H]1C 521396504 KIJJJTWKWFQJFT-IVZWLZJFSA-N 285.344 0.233 0 50 CCAA COCCN1CCCN(C[C@@](C)(O)C(F)(F)F)CC1=O 253396755 NYKQWCLPILPBGL-LLVKDONJSA-N 298.305 0.480 0 50 CCAA CCS(=O)(=O)C1CN(C(=O)Cc2ccccc2O)C1 332444910 MALCLBRXEHWIBS-UHFFFAOYSA-N 283.349 0.580 0 50 CCAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@@H](O)C1CCC1 332482387 VKBHJNNGAOHIOT-NEPJUHHUSA-N 289.397 0.573 0 50 CCAA CN(C)Cc1ccnc(NC(=O)[C@H]2CCNC(=O)C2)c1 152441091 OJFHCEMXXZFRRQ-NSHDSACASA-N 276.340 0.608 0 50 CCAA CN(Cc1cnccn1)C(=O)[C@@H]1NCCc2[nH]cnc21 72463848 UTQFDTQTNWYXAB-GFCCVEGCSA-N 272.312 0.045 0 50 CCAA CN1CC[C@@H]2CN(C(=O)N[C@H](CCN)C(F)(F)F)C[C@@H]21 331473188 WKCLCPSJHHGNOW-KXUCPTDWSA-N 294.321 0.612 0 50 CCAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CCNCC1 36021307 DHDNZVYHASSKPF-UHFFFAOYSA-N 284.337 0.052 0 50 CCAA COc1ccc(C(=O)N(CC(=O)O)C2CC2)nn1 262158717 MVGLPRZULRCZOY-UHFFFAOYSA-N 251.242 0.174 0 50 CCAA CCSCCCNC(=O)N[C@@H]1CC[S@@](=O)C1 241774106 RNBVWLMSOSVNOL-JDNHERCYSA-N 264.416 0.950 0 50 CCAA C[C@H](O)c1cccc(N2CCC(O)(C(=O)O)CC2)n1 71775857 VNLKHZKTJPAOPC-VIFPVBQESA-N 266.297 0.551 0 50 CCAA Cc1n[nH]c(=O)c(C(=O)N2CC(O)(c3ccccc3)C2)c1C 288436911 YHFCSGYKSJPCQS-UHFFFAOYSA-N 299.330 0.730 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)CCc2ccnn2C)C1 426379609 DDXJGVVERAUTAX-CYBMUJFWSA-N 294.399 0.389 0 50 CCAA Cc1noc(CSCC(=O)N2CC[C@H](CO)C2)n1 426382995 CCSKJRRVVTXUIW-VIFPVBQESA-N 271.342 0.452 0 50 CCAA Cc1nc(N)nc(C)c1CC(=O)NCC(F)(F)F 244866689 WARHCBRIQVXRKO-UHFFFAOYSA-N 262.235 0.897 0 50 CCAA C[C@@H]1CCCCN1C1CN(CCn2cc[nH]c2=O)C1 244734732 NKYBMAHITGKKAI-GFCCVEGCSA-N 264.373 0.735 0 50 CCAA CSCc1noc(CN2CCN([C@@H]3CCNC3)CC2)n1 244788106 QJLSJKUARMTQRA-LLVKDONJSA-N 297.428 0.412 0 50 CCAA COc1cccc2sc(NC(=O)[C@@H]3C[C@H](O)CN3)nc12 299751664 RFEHPTPZPCOWIL-YUMQZZPRSA-N 293.348 0.966 0 50 CCAA CC(=O)N1CCC[C@@H](NC(=O)c2[nH]cnc2C)C1 534655262 NWDDOBSFKMLMEN-SNVBAGLBSA-N 250.302 0.459 0 50 CCAA O=C(N[C@H]1CCCN(Cc2cccnc2)C1)c1nc[nH]n1 534640902 IICOFQVMGMTBQG-LBPRGKRZSA-N 286.339 0.594 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccncc1Cl 534659075 JGNKGNPRYHSUKE-QWRGUYRKSA-N 269.732 0.794 0 50 CCAA CC(C)[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ncnn1C 534649797 BIDZOCLGKUHGSJ-LLVKDONJSA-N 290.327 0.036 0 50 CCAA O=C(N[C@H]1CCc2ccccc21)c1n[nH]c(-n2cnnc2)n1 1940198377 KXUKMCVKTFSSLX-NSHDSACASA-N 295.306 0.803 0 50 CCAA CC(C)N1CC[C@H](CN2CCN(c3nc[nH]n3)CC2)C1 299799354 RCLNZMMVNQSKEX-CYBMUJFWSA-N 278.404 0.657 0 50 CCAA C[C@@H]1C[C@H](C(=O)N=c2ccn(CC(=O)O)[nH]2)[C@@H](C)O1 630136014 VRSMNKIROUOREL-HLTSFMKQSA-N 267.285 0.142 0 50 CCAA CN1CCCNC(=O)C12CCN([C@H]1CCOC1)CC2 823778346 GTMKRESCCFRYMU-LBPRGKRZSA-N 267.373 0.062 0 50 CCAA Cc1cccc2c1NCN1C2=NNC(=O)[C@H]1CC(=O)O 585157973 ZKDOCBZGAIRYTM-SECBINFHSA-N 274.280 0.315 0 50 CCAA CCS(=O)(=O)NC[C@H](C)N(C)Cc1cscn1 584896592 XWCQKXSEQDHSPU-VIFPVBQESA-N 277.415 0.903 0 50 CCAA COCCN1CCC(CN(C)C(=O)[C@@H]2CC(C)=NO2)CC1 584892296 FWBNBMQRXMMKCS-AWEZNQCLSA-N 297.399 0.968 0 50 CCAA Cc1ncn(CCNC(=O)[C@@H](C)N2CCN(C)CC2)c1C 670471904 YFQSKTMUCFNLEJ-CQSZACIVSA-N 293.415 0.252 0 50 CCAA Cn1c(CO)nnc1C1CCN(CC[C@H]2CCOC2)CC1 670452338 UIVKAOWSUPLSCS-LBPRGKRZSA-N 294.399 0.913 0 50 CCAA COCCn1cc(CN[C@H]2CCC[C@@H]3C[C@H]23)c(O)nc1=O 1875275555 RLODQSFVTNCQSC-WXHSDQCUSA-N 293.367 0.874 0 50 CCAA Cc1cn2c(n1)CC[C@@H](C(=O)N(C)C[C@@H](O)C1CC1)C2 1875279692 OWPASVILVXOTKR-CHWSQXEVSA-N 277.368 0.983 0 50 CCAA C[C@@]1(CNC(=O)c2cnn3ccncc23)CCCC(=O)N1 1875308412 FDGVSKYPMLMFOY-AWEZNQCLSA-N 287.323 0.518 0 50 CCAA C[C@H]1CCCN[C@H]1C(=O)N1CC2(CCCNC2)C1 1875316796 HAYUBHLYJFUGLV-NWDGAFQWSA-N 251.374 0.587 0 50 CCAA COC(=O)[C@@H](OC)C1CCN(C(=O)C2CC2)CC1 1875308579 MMQKHJVENWUZFG-NSHDSACASA-N 255.314 0.823 0 50 CCAA CN(C(=O)/C=C/CN1CCCC1)[C@@H]1CCCCNC1=O 1875338430 XSHUOSGTBMLNPE-STMXVASLSA-N 279.384 0.766 0 50 CCAA Cc1nnc(CCNS(=O)(=O)c2conc2C)s1 952884116 YCLKPYVCTDMZEU-UHFFFAOYSA-N 288.354 0.664 0 50 CCAA Cc1cnn([C@@H]2[C@@H](NCC3CCOCC3)C[C@H]2O)c1 888077052 GRNRNPKRZCITDQ-BFHYXJOUSA-N 265.357 0.882 0 50 CCAA NC(=O)CN1CCC(N[C@H]2CCCSC2)CC1 61587983 CMLVKPIXQTWFFW-NSHDSACASA-N 257.403 0.421 0 50 CCAA CC[C@H]1CN(C)CCN1C(=O)NCc1nc(COC)n[nH]1 666115379 FTNFMLRAGAHPCL-JTQLQIEISA-N 296.375 0.187 0 50 CCAA Cc1nn(C)c(C)c1CNc1nc(N)c2cnn(C)c2n1 276402471 GPYLUVGTFCVPCW-UHFFFAOYSA-N 286.343 0.908 0 50 CCAA CCn1nc(C)c(C(=O)NC[C@H](CO)[C@H]2CCOC2)c1C 280880669 ZKZSNEDWHWMCHC-QWHCGFSZSA-N 295.383 0.895 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cc(OC)ccn1 643825691 WMFDAQGCADNKOY-AWEZNQCLSA-N 279.340 0.557 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C)C1 583619984 FLMDYPHCZDYYMR-YUMQZZPRSA-N 291.277 0.868 0 50 CCAA C[C@@H]1CN(C(=O)C2(Oc3ccccc3)CC2)CC(=O)N1 563879843 SGBZBXKULVSXHB-LLVKDONJSA-N 274.320 0.945 0 50 CCAA Cc1nc2c(C(=O)N3CCN4C(=O)CC[C@H]4C3)ccnc2[nH]1 797966178 JQJFOXNUQTXMDG-JTQLQIEISA-N 299.334 0.713 0 50 CCAA O=C1N[C@H]2CCC[C@H]1CN(Cc1cc3n(n1)CCNC3)C2 216920151 JXMMEPMVNTZSJY-RYUDHWBXSA-N 289.383 0.087 0 50 CCAA O=C(c1cnccn1)N1CCCN([C@H]2CCOC2)CC1 1800410612 XEFJUNQFCLJNPH-LBPRGKRZSA-N 276.340 0.413 0 50 CCAA Cc1cc(CN2[C@H](C(=O)NC3CC3)C[C@@H]3OCC[C@@H]32)no1 1615546717 BUMAUOZOGZZGSM-IHRRRGAJSA-N 291.351 0.993 0 50 CCAA C[C@H](C(=O)N[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C1CC1 1615585723 CFHVAHXGLVBIIR-GXSJLCMTSA-N 276.340 0.688 0 50 CCAA C=CC(=O)N1CCC[C@@](COC)(C(=O)OCC)C1 1262555624 AJVXSQBKHJAEGP-CYBMUJFWSA-N 255.314 0.991 0 50 CCAA CCCCN1CCN(c2nnc(CNC)o2)CC1 1775978809 VVUKZWJYGSBLDF-UHFFFAOYSA-N 253.350 0.711 0 50 CCAA CN(C)c1nc(N2C[C@@H]3COCC[C@]3(CO)C2)ncc1F 1772703644 ZABAGQWVLHVMNT-QMTHXVAHSA-N 296.346 0.517 0 50 CCAA CCNS(=O)(=O)c1cc(C(=O)O)ccc1OC 16579233 PLOXPMMCRRYOMT-UHFFFAOYSA-N 259.283 0.692 0 50 CCAA O=C(c1cc2cccnc2[nH]1)N1C[C@H](CO)C[C@@H](CO)C1 1857527607 VOPVQJXBQXEESV-GHMZBOCLSA-N 289.335 0.626 0 50 CCAA C[C@@H](CN(C)c1ncc2cn[nH]c2n1)N1CCOCC1 1857676697 RGRZBXXSQDUDNR-JTQLQIEISA-N 276.344 0.510 0 50 CCAA Cc1occc1C(=O)N1CCO[C@H](Cn2ccnn2)C1 636224983 OYXOTALFVWYUHT-NSHDSACASA-N 276.296 0.721 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2occc2C)C1 644033568 WPIWYQJLYZBUTE-AWEZNQCLSA-N 280.324 0.691 0 50 CCAA NC(=O)c1nn[nH]c1NC(=O)[C@@H]1CC2CCC1CC2 660848376 WIQMIWZWUKWKEB-KAVNDROISA-N 263.301 0.668 0 50 CCAA COCC[C@@H]1CNCCN1c1nc(C)nc2c1cnn2C 900440503 QSFFTDVQPCVWQM-LLVKDONJSA-N 290.371 0.486 0 50 CCAA CCc1cnc(N2CC[C@@H](O)[C@@H](C(=O)O)C2)nc1 1704330237 HACMTVUSQXIIDP-VHSXEESVSA-N 251.286 0.311 0 50 CCAA C=CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 1120461222 YUDWMNYMCPQNNH-STQMWFEESA-N 281.400 0.866 0 50 CCAA COCC(COC)NC(=O)N1C[C@H](C)C[C@@H](C(=O)O)C1 263104787 BGAAYPLCPNQUHX-NXEZZACHSA-N 288.344 0.400 0 50 CCAA O=C1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C(=O)N1 282421700 IQSYCGKTOMYJEV-YUMQZZPRSA-N 274.267 0.733 0 50 CCAA O=C(Cc1cccs1)N1CCOC[C@H](CO)C1 77374895 MSAUMMGQTXFIED-JTQLQIEISA-N 255.339 0.758 0 50 CCAA CN(CCn1ccnc1)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 426490611 SDZYCLJKVKXZIE-WDEREUQCSA-N 265.313 0.842 0 50 CCAA C[C@H](C(=O)N[C@@H](c1nn[nH]n1)C1CC1)n1cccc1 2325806888 MUVKSAKPFSILNW-PSASIEDQSA-N 260.301 0.830 0 50 CCAA Cc1nc([C@@H]2CCN(C(=O)[C@@H](C(=O)O)C(C)C)C2)n[nH]1 911771762 DNRSQDKYKQKQOW-ZJUUUORDSA-N 280.328 0.786 0 50 CCAA CCOC(=O)[C@@H](CN)NC(=O)OCc1ccccc1 3166573 KAQRFIYKOKLAIE-LLVKDONJSA-N 266.297 0.803 0 50 CCAA CN(NC1=c2ccccc2=NC1=O)c1ccccc1 6375531 HKGGKNGFKPPLAY-UHFFFAOYSA-N 251.289 0.596 0 50 CCAA COc1cccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 20778901 BEBMOHFHWHOZRL-HOTGVXAUSA-N 292.379 0.573 0 50 CCAA NC(=O)c1ccnc(N2CCN(CC(F)(F)F)CC2)c1 1506400315 CIWOFUGLOMBGRP-UHFFFAOYSA-N 288.273 0.865 0 50 CCAA CC(C)Cc1nc(Cn2nnnc2N)n(-c2ccccn2)n1 65424250 QDOXRFQYMKNPHG-UHFFFAOYSA-N 299.342 0.478 0 50 CCAA NC(=O)c1noc([C@@H]2CCCN2c2ncc(Cl)cn2)n1 328630061 PLOISBBXPNTDRZ-ZETCQYMHSA-N 294.702 0.953 0 50 CCAA CNC(=O)[C@@H](NCc1cn(C(C)(C)C)nn1)C(C)C 359669181 AUDFPVWNJIGSFW-NSHDSACASA-N 267.377 0.893 0 50 CCAA CN(CC1CC1)C[C@H]1CCN(C(=O)c2cnn[nH]2)C1 329903601 IKLWSRNUZJUDFU-LLVKDONJSA-N 263.345 0.609 0 50 CCAA CC[C@H](C)[C@H](OC)C(=O)Nc1cn(C)c(=O)n(C)c1=O 331129172 AOXZOMRFUHQUPU-WPRPVWTQSA-N 283.328 0.084 0 50 CCAA N[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[C@H]4CC[C@H]3NC4)C[C@H]21 333301807 IYIYXEKYHZOWLF-QAUDVVSPSA-N 277.412 0.960 0 50 CCAA CCO[C@H]1CN(C(=O)Cc2nc(C)sc2C)C[C@@H]1O 219367043 OZOROVFVTYVZHZ-RYUDHWBXSA-N 284.381 0.911 0 50 CCAA CCCn1[nH]cc/c1=N\C(=O)CN1CCOC[C@H](C)C1 372218907 WBMSLSSNPSMGPR-SIOXIVGBSA-N 280.372 0.622 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N[C@](C)(C(=O)O)C1CC1 237720878 LDFLRCAAJXXLSE-AWEZNQCLSA-N 295.339 0.785 0 50 CCAA CC(C)OCCCC(=O)N1CCOC[C@@H]1C(=O)O 263236398 CYSRAXWXBZKNFU-SNVBAGLBSA-N 259.302 0.504 0 50 CCAA CC[C@@]1(O)CCN(c2cc(OC)ncn2)C[C@H]1O 72473056 XWUCTWKWZUSEBL-BXKDBHETSA-N 253.302 0.197 0 50 CCAA O=C(N[C@@]1(CCO)CCOC1)c1nc[nH]c2nccc1-2 614078153 NGKXPYSJVPNANB-ZDUSSCGKSA-N 276.296 0.181 0 50 CCAA CNC(=O)[C@@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 178551254 GGHRBSZWNLRECH-ZIAGYGMSSA-N 289.379 0.714 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)C1Cc2ccccc2C1 426634069 VQQPJGLSGGWHRF-GJZGRUSLSA-N 274.364 0.847 0 50 CCAA COCc1cc(N[C@H]2CCC(=O)N(C)C2)ncn1 95364718 RTZMMTCZMUADCH-VIFPVBQESA-N 250.302 0.656 0 50 CCAA CC(C)c1nnsc1CNC(=O)[C@@H]1CCCN1C(N)=O 96131257 RZMXRVSEZKRYPJ-QMMMGPOBSA-N 297.384 0.821 0 50 CCAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1ncccn1)C2 95362366 OECOFPLPKQJHRV-NWDGAFQWSA-N 276.340 0.550 0 50 CCAA CCC(=O)NCC(=O)N[C@H]1COC[C@H]1Cc1cc(C)no1 96164558 VENLPACEDMGFEP-PWSUYJOCSA-N 295.339 0.183 0 50 CCAA COc1ccc(NC(=O)N2CCS(=O)(=O)CC2)c(C)n1 268340207 FVOJFKGAYVNIHF-UHFFFAOYSA-N 299.352 0.661 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)CCc1ccsc1 268966101 CPXTYQGCKOSRBA-SNVBAGLBSA-N 269.322 0.993 0 50 CCAA CN(C)C(=O)CN1CCCC[C@H]1C1CCNCC1 242722943 XZBQJOFEERYSQE-ZDUSSCGKSA-N 253.390 0.929 0 50 CCAA C[C@@H](Cc1cccnc1)NC(=O)CN(C)C1CCNCC1 534587698 OQURPCFSKJQMDW-ZDUSSCGKSA-N 290.411 0.813 0 50 CCAA CSCCC(=O)N1CCC(c2nnc(N)[nH]2)CC1 299771735 WBKBZKCBAZKUBK-UHFFFAOYSA-N 269.374 0.846 0 50 CCAA CN(CC(C)(C)CO)C(=O)CCc1nncn1C 584899038 OSIRUQNKDLULED-UHFFFAOYSA-N 254.334 0.225 0 50 CCAA Cc1cc(=O)cc(C(=O)N(C)CCN2CCOCC2)o1 584891886 MGXZJFCINYGJAG-UHFFFAOYSA-N 280.324 0.352 0 50 CCAA CNC(=O)CNC(=O)c1c(C)[nH]c(C(C)=O)c1C 823824791 ALYPGAACOGUJAZ-UHFFFAOYSA-N 251.286 0.310 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cn1cccnc1=O 584898877 VPRPUIXSAZFOER-MRVPVSSYSA-N 275.312 0.461 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1c(Cl)cnn1C 584901170 QNUQPHXYPHZFIH-UWVGGRQHSA-N 286.763 0.522 0 50 CCAA N[C@@H]1CNC[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C1 757213240 PLIAAMRPHXVDHD-IMSYWVGJSA-N 251.296 0.854 0 50 CCAA CNC(=O)[C@@H]1CCCN(c2ncc(C)c(O)n2)C1 1875319791 RWJHQNJXVDARCL-SECBINFHSA-N 250.302 0.453 0 50 CCAA COC(=O)/C=C/CNC(=O)c1ccc(OCCO)cc1 1875311602 GQZVQYVASUWEAZ-NSCUHMNNSA-N 279.292 0.517 0 50 CCAA COc1cccnc1N1C[C@@H](O)[C@H](CC(=O)N(C)C)C1 1875398317 LLOKKRFEACFAJT-GHMZBOCLSA-N 279.340 0.366 0 50 CCAA Cc1ccc(NC(=O)[C@@H](N)CO)cc1NC(=O)C(C)C 952991505 TUFAUAJQDNWZQE-NSHDSACASA-N 279.340 0.848 0 50 CCAA Cc1cc(N(C)C[C@H](C)C(=O)O)n2nc(C)nc2n1 886909598 CHBNMXAMENYWQG-ZETCQYMHSA-N 263.301 0.898 0 50 CCAA CCn1cccc1CN1CCC[C@](O)(CC(=O)NC)C1 886085310 KRFVKRSHGKOKRE-HNNXBMFYSA-N 279.384 0.971 0 50 CCAA CN(Cc1ccn(C)n1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 1772412991 HZOLEHAXMLVGLI-SNVBAGLBSA-N 288.355 0.842 0 50 CCAA COc1nccc(NC(=O)N2CCNC(=O)[C@H]2C(C)C)n1 276533853 NIRAXMQRUQZKLA-SNVBAGLBSA-N 293.327 0.474 0 50 CCAA Cc1cc(CS(=O)(=O)N(C2CC2)[C@H](C)C(=O)O)on1 1594306686 RVKTXMPLTGYMIF-MRVPVSSYSA-N 288.325 0.750 0 50 CCAA Cn1nccc1C1CCN(C(=O)[C@H]2CNCCO2)CC1 188157044 GMFNSLIVRNBJER-CYBMUJFWSA-N 278.356 0.115 0 50 CCAA CCc1ccccc1NC(=O)CN1CC[C@@](O)(C(N)=O)C1 225572577 FPBDRWBEPFSBHA-HNNXBMFYSA-N 291.351 0.110 0 50 CCAA Cn1c(=O)oc2cc(S(=O)(=O)Nc3cnc[nH]3)ccc21 225529965 ZTIFBKOJYSZITC-UHFFFAOYSA-N 294.292 0.655 0 50 CCAA C=CC(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1 585086900 OINMCGSRMIPYAG-NSHDSACASA-N 262.313 0.629 0 50 CCAA CC(C)c1nnc2n1C[C@H](N=c1[nH]c(C(=O)O)co1)CC2 563207945 YUUZLNYFABFNNX-MRVPVSSYSA-N 291.311 0.937 0 50 CCAA C[C@]1(C2CC2)NC(=O)N(C[C@H](O)c2ccc(F)cn2)C1=O 799608901 TYDJMYMGKQKQQZ-SMDDNHRTSA-N 293.298 0.975 0 50 CCAA CNc1ccnc(N2CCOC[C@@H](CN(C)C)C2)n1 1506414644 HKYCFNDWHMFMRK-NSHDSACASA-N 265.361 0.533 0 50 CCAA CC(C)[C@H]1C(=O)N(C)CCN1C(=O)c1cc(O)ccc1N 1529144176 PYHIDZDOAHKTIJ-ZDUSSCGKSA-N 291.351 0.913 0 50 CCAA CN1C[C@@]2(CCN(C(=O)c3nc(Cl)n(C)n3)C2)OC1=O 1857689288 MKAATXVVAKXGAP-LLVKDONJSA-N 299.718 0.135 0 50 CCAA CCS(=O)(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704338759 ZBOHAJYVTFJVHH-NEPJUHHUSA-N 270.354 0.578 0 50 CCAA COCC[C@H](CO)NC(=O)c1ccc(F)cc1N 305936398 QFEAOCSKRFWIQZ-SECBINFHSA-N 256.277 0.535 0 50 CCAA Cn1cc(S(=O)(=O)N2CCC(CC(=O)O)CC2)cn1 110300313 KLVNTGFJYIQHID-UHFFFAOYSA-N 287.341 0.296 0 50 CCAA COCCN1CN(C(=O)[C@H]2CCC[C@H](OC)C2)CC1=O 329183605 OYFBNOAWXSJCMG-RYUDHWBXSA-N 284.356 0.466 0 50 CCAA O=C(NC[C@@H]1CCCN1)N1CCC[C@H](CCO)CC1 333267485 JVPVTEWDGSPYFU-STQMWFEESA-N 269.389 0.933 0 50 CCAA NC[C@H]1CCC[C@H]1NC(=O)c1ncncc1Cl 237837303 LPCMVURUZNWRRP-VXNVDRBHSA-N 254.721 0.987 0 50 CCAA NC(=O)[C@H](O)CNC(=O)c1ccsc1C(F)F 935678367 AVHABHGNUSFGHX-RXMQYKEDSA-N 264.253 0.262 0 50 CCAA CN1CCC2(CC1)CN(C(=O)c1ccc(N)nc1)CCO2 1772816124 JFEQATGSPOBFAD-UHFFFAOYSA-N 290.367 0.601 0 50 CCAA CC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)O 5007428 ANVONRZXOWPQGF-JTQLQIEISA-N 257.311 0.969 0 50 CCAA Cc1c(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)cnn1C 1857720933 QTLVTVGJFXXUKQ-WCQGTBRESA-N 278.356 0.320 0 50 CCAA C[C@H]1C[C@H](C(=O)N2CCC(n3cnnc3O)CC2)CO1 655042154 GFNHSQSPLGMBIE-UWVGGRQHSA-N 280.328 0.572 0 50 CCAA O=C(O)CCN1C(=O)c2ccccc2S1(=O)=O 2568866 GZWYJHUJOLOMKY-UHFFFAOYSA-N 255.251 0.306 0 50 CCAA in-vitro O[C@@H]1C[C@@H]2CCN3Cc4cc5c(cc4[C@@H]([C@H]23)[C@H]1O)OCO5 5995922 VJILFEGOWCJNIK-HPNFRWIHSA-N 289.331 0.829 0 50 CCAA biogenic Cc1ccc(C(=O)N2CC[C@](F)(C(=O)O)C2)n1C 125021192 SEGLZZXZTGDLBS-GFCCVEGCSA-N 254.261 0.972 0 50 CCAA O=C1CC[C@@H](N=c2[nH]ccn3cnnc23)C2(CCC2)N1 374580888 VRZWWWIGHQKDMC-SECBINFHSA-N 272.312 0.159 0 50 CCAA COc1ccc(NC(=O)CN2CCN(C(C)=O)CC2)cc1 36369661 OINZIOOYRXRBIK-UHFFFAOYSA-N 291.351 0.798 0 50 CCAA O=C1CC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)N1 22023147 UGWACYOHACFGOY-CQSZACIVSA-N 287.363 0.609 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)NCCCCCC(=O)O 236814272 PIKMXTHOEXKEJW-LLVKDONJSA-N 270.329 0.759 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)C[C@H]1CO 275353964 UNSCZZYFDJXSSF-KOLCDFICSA-N 298.364 0.034 0 50 CCAA CCc1ccc(S(=O)(=O)NC[C@@]2(O)CCCNC2)cc1 534676006 GUFGYNREHLCLFH-CQSZACIVSA-N 298.408 0.642 0 50 CCAA CCc1ocnc1C(=O)N1CCC[C@@]1(COC)C(=O)O 643853237 VXAPTPMBPXVPLR-CYBMUJFWSA-N 282.296 0.943 0 50 CCAA Cc1cccn2cc(CN3CCNCCC3=O)nc12 828276667 IMOYGHDSIYGMSD-UHFFFAOYSA-N 258.325 0.965 0 50 CCAA COC(=O)c1ccccc1N1C[C@@H](C(=O)O)CC1=O 151466 IJASNKPEYJIWPN-QMMMGPOBSA-N 263.249 0.911 0 50 CCAA CO[C@H]1CC[C@H](NC(=O)c2n[nH]c(-n3cnnc3)n2)CC1 2356159276 TYMNSCOIWNMWNT-KYZUINATSA-N 291.315 0.073 0 50 CCAA CC(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1 4865989 NHEURGCYAHZQOV-UHFFFAOYSA-N 297.380 0.727 0 50 CCAA Cn1nccc1C(=O)NC[C@@H]1CN(C2CC2)CCO1 114857392 IFLPDRRZRYVKSU-LLVKDONJSA-N 264.329 0.013 0 50 CCAA CCN(Cc1nc(COC)no1)C(=O)CCNC(C)=O 55109265 NORDJYHFGAETGG-UHFFFAOYSA-N 284.316 0.091 0 50 CCAA CCCNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 20568101 HRJKUGKEQYXMOP-UHFFFAOYSA-N 299.396 0.826 0 50 CCAA O=C1NC(=O)[C@H](Cc2nc(C3CC3)nn2-c2ccccn2)N1 65407083 YZYXVZPLGSLTAV-VIFPVBQESA-N 298.306 0.290 0 50 CCAA CCN1CCN(C(=O)CN(C)C(C)C)C[C@H]1c1ncc[nH]1 328622220 IGWPYORWCQACIX-ZDUSSCGKSA-N 293.415 0.955 0 50 CCAA Cc1nc(C)c(-c2c(S(N)(=O)=O)cnn2C)s1 71784161 OQOFOXNQLDJBNA-UHFFFAOYSA-N 272.355 0.808 0 50 CCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cccc2ccnn12 72167425 AFTLSIWHKOOMEH-VIFPVBQESA-N 277.305 0.375 0 50 CCAA CS(=O)(=O)N(Cc1ccccn1)C[C@H]1CCOC1 330584705 WLYZMNXESPAEIX-LLVKDONJSA-N 270.354 0.880 0 50 CCAA CNC(=O)CC(=O)N1CCCC[C@H](CCOC)C1 369017423 IAHAERUPRQXHHV-LLVKDONJSA-N 256.346 0.788 0 50 CCAA Nc1nc(CCCNC(=O)CN2CCCC2)cs1 219333258 STZQMYCYQAHYPF-UHFFFAOYSA-N 268.386 0.870 0 50 CCAA CC(=O)N1CC(C(=O)N2CCC[C@@H]2c2ncc[nH]2)C1 334148588 YVIHMPPZRXMTET-LLVKDONJSA-N 262.313 0.552 0 50 CCAA Cc1cnccc1NCCNC(=O)CN1CCOCC1 219306203 YVPFBHXSNDVSOQ-UHFFFAOYSA-N 278.356 0.250 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2cc(-c3ccco3)[nH]n2)CCO1 263005716 QJBVRCQHNRFTMU-NSHDSACASA-N 291.263 0.595 0 50 CCAA Nc1ccnc(N2CC[C@H]3NCCC[C@]3(C(=O)O)C2)n1 72475183 GWMIECLLJWJMLN-RNCFNFMXSA-N 277.328 0.092 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1n[nH]c2ccccc12 286886747 OSKMOUQWPRGDBD-XCBNKYQSSA-N 276.271 0.601 0 50 CCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(N)=O)c(F)c1 72151368 VRYAYSGGNCSPJP-LBPRGKRZSA-N 295.314 0.010 0 50 CCAA C[C@H]1CN(C(=O)Nc2cccnn2)C[C@]2(CCOC2)O1 242048043 VSGQCELWCUKQOM-GWCFXTLKSA-N 278.312 0.888 0 50 CCAA CCS(=O)(=O)N1[C@H](C(N)=O)C[C@@H]2CCCC[C@H]21 242197012 XGYVSDWUQDRXSZ-AEJSXWLSSA-N 260.359 0.455 0 50 CCAA O=C(NCCN1CCCOC1=O)c1ccc2c(c1)OCO2 82341105 ZRXVWTFANWIUBY-UHFFFAOYSA-N 292.291 0.987 0 50 CCAA CC(C)Cc1noc([C@H](C)NC(=O)CN(C)C(N)=O)n1 426491423 KZNQVWDKAFWZGV-QMMMGPOBSA-N 283.332 0.456 0 50 CCAA CC(=O)NC(C)(C)C(=O)NCCc1nc(C)cc(O)n1 426691143 GEKICYNFIAKXFT-UHFFFAOYSA-N 280.328 0.064 0 50 CCAA COC1CCN(c2cc(NC[C@@H](C)O)ncn2)CC1 294508377 TWSLLMUWYHDSFN-SNVBAGLBSA-N 266.345 0.885 0 50 CCAA COc1ccc(OCCCNC(=O)[C@@H]2CNCCO2)cc1 237289367 UDBIIEOCCIRKCB-AWEZNQCLSA-N 294.351 0.569 0 50 CCAA O=c1nc(C2CCN(S(=O)(=O)c3ccoc3)CC2)[nH][nH]1 294648400 QLXZHVVXGFCRLE-UHFFFAOYSA-N 298.324 0.259 0 50 CCAA O=C(N1C[C@H](O)CO1)C1(c2ccc(F)cc2)CC1 91649928 BAOFGYWOWLTZFT-NSHDSACASA-N 251.257 0.992 0 50 CCAA COCCN(C)CC(=O)N1CC[C@](C)(O)[C@H](C)C1 91664496 SOBFFAKWFRTTMY-YPMHNXCESA-N 258.362 0.184 0 50 CCAA C=Cc1ccc(N2CCN(C(C)=O)C[C@H](O)C2)nc1 91595815 UMIHXCYSYIBUQD-ZDUSSCGKSA-N 261.325 0.754 0 50 CCAA O=C(O)[C@H]1[C@H](C(=O)NCCc2ccccc2)[C@H]2C=C[C@H]1O2 239308864 HAUYFFDGFFLJSE-AAVRWANBSA-N 287.315 1.000 0 50 CCAA C[C@@H](Nc1ncc(F)c(N(C)C)n1)c1nnn[nH]1 95384493 YEQIZFVFJQAUCA-RXMQYKEDSA-N 252.257 0.368 0 50 CCAA COc1cccn(CC(=O)N(C)C2CCNCC2)c1=O 95525828 IUKMXXOERCFUJL-UHFFFAOYSA-N 279.340 0.067 0 50 CCAA Cc1nnc(NC(=O)c2ccc3nnc(O)n3c2)s1 342880752 NDNQKESOSFXOIE-UHFFFAOYSA-N 276.281 0.847 0 50 CCAA CCn1cc(O[C@@H]2CN(c3nnc(C)o3)C[C@H]2O)cn1 624420891 DZNIOQGROBKNJN-GHMZBOCLSA-N 279.300 0.223 0 50 CCAA CO[C@@H](C(=O)Nc1cc(N(C)C)ncn1)C1CC1 298696678 QRYYOOHQVWNKJF-LLVKDONJSA-N 250.302 0.906 0 50 CCAA C[C@H](C(=O)O)N1CCCC[C@H]1CN1CCOCC1 299739015 JOLKMRRBKHWKAZ-NEPJUHHUSA-N 256.346 0.646 0 50 CCAA COc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cn1 534585452 YJPKPQVUCOCCOZ-UHFFFAOYSA-N 261.281 0.463 0 50 CCAA CC1(C)[C@@H](NC(=O)c2ccccc2OCC(N)=O)C[C@H]1N 864091900 ITNFNDCUCTWMPC-NEPJUHHUSA-N 291.351 0.406 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)Cn1nc2ccccc2n1 534588323 RDFHYNBYVJKKRI-GHMZBOCLSA-N 299.334 0.368 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)C(=O)N1CCCC1 299767464 GZONRSBCIKSUGB-JTQLQIEISA-N 279.344 0.488 0 50 CCAA O=C1CCc2c1cccc2C(=O)N[C@@H]1CCS(=O)(=O)C1 584894529 CXWXWUMPHGNWLY-SECBINFHSA-N 293.344 0.732 0 50 CCAA O=C(NCC[C@H](O)CO)c1ccc(SCCO)cc1 584893274 RSNBXIFOVFENCB-NSHDSACASA-N 285.365 0.244 0 50 CCAA O=C(C1CCOCC1)N1CCN2C(=O)OC[C@H]2C1 670436789 MVPWUOSAKXIFGV-SNVBAGLBSA-N 254.286 0.076 0 50 CCAA CC(C)N(C)S(=O)(=O)N(C)CC1(C)COC1 670462946 MLRSIINBHDQLBO-UHFFFAOYSA-N 250.364 0.540 0 50 CCAA Cn1c(C(=O)N2CCN(c3ccncc3)CC2)cnc1O 630568284 SSBVKVOZCYBBFQ-UHFFFAOYSA-N 287.323 0.483 0 50 CCAA O=S(=O)(NC1CCC1)c1n[nH]c2ncccc12 1875290409 CCZKSLOGZGXTLJ-UHFFFAOYSA-N 252.299 0.789 0 50 CCAA Cc1nnc([C@@H]2COCCN2CCOC2CC2)o1 1875271414 HASSIHDMUIMRBH-NSHDSACASA-N 253.302 0.930 0 50 CCAA O=C(O)c1cc(CCNC(=O)C2CCSCC2)[nH]n1 1875307727 SPAXNJIICQQOOR-UHFFFAOYSA-N 283.353 0.910 0 50 CCAA Cc1cn2cc(NC(=O)[C@H]3CC[C@@H](C(=O)O)N3)ccc2n1 952887811 FEICUJKKQFTECK-MNOVXSKESA-N 288.307 0.786 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cc[nH]c1 886096767 DWNVRTUNJDLKNV-CYBMUJFWSA-N 251.330 0.742 0 50 CCAA COC[C@]1(C)NC(=O)N(c2cnc(C)s2)C1=O 900254798 CAKXZDNMPSVZKC-JTQLQIEISA-N 255.299 0.913 0 50 CCAA O[C@H]1CNC[C@@H]1NC1CCN(c2ccc(F)c(F)c2)CC1 1565509632 QNAPEJXWMPUIGI-GJZGRUSLSA-N 297.349 0.856 0 50 CCAA CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCSC2)CCN1C 631607629 CFHDQJCNFKTHAP-DMDPSCGWSA-N 272.414 0.701 0 50 CCAA CO[C@H]1CN(S(=O)(=O)CCN2CCCC2)CC[C@H]1C 170619199 LUDVPGKCSVBMFU-OLZOCXBDSA-N 290.429 0.769 0 50 CCAA CN1CCN(c2cc(C(=O)Nc3cn[nH]c3)ccn2)CC1 170801030 IJKAOZISDNILQN-UHFFFAOYSA-N 286.339 0.809 0 50 CCAA C[C@H]1CN(C(=O)NCCN2CCOCC2(C)C)C[C@@H](C)O1 170836682 LUQFTODENZXYTI-BETUJISGSA-N 299.415 0.916 0 50 CCAA CCNC(=O)CCc1cccc(S(N)(=O)=O)c1 725269660 WUYGIGOCLSCDTI-UHFFFAOYSA-N 256.327 0.403 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C[C@H]1C(N)=O 408039370 VHKSXCMDAZSMGT-ISUQUUIWSA-N 252.314 0.134 0 50 CCAA O=C1C[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCN1 305205425 YMPHOPXPIDGOCD-OSMZGAPFSA-N 274.320 0.287 0 50 CCAA Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)OCCF)cn1 585139364 NGAGPGMTFKOHSX-NSHDSACASA-N 298.318 0.720 0 50 CCAA CC[C@H](NC(=O)[C@H]1CCCCC(=O)N1)C(OC)OC 408523672 UNZGXHWNBCMFON-VHSXEESVSA-N 272.345 0.559 0 50 CCAA NS(=O)(=O)c1ccc(CCN[C@H]2CCOC2)cc1 109431349 HOPWCDBPVVUNDB-NSHDSACASA-N 270.354 0.255 0 50 CCAA Cn1nnc2c(=O)n(C[C@@H]3COc4ccccc4O3)cnc21 647136987 RVXBZZUUBZPOSY-SECBINFHSA-N 299.290 0.365 0 50 CCAA C=CC(=O)N(CC)CC(=O)Nc1nnc(C)n1C1CC1 908087729 YSFWNSPGGDJHLH-UHFFFAOYSA-N 277.328 0.894 0 50 CCAA Cc1nsnc1C(=O)NCCc1csc(=N)[nH]1 1857684987 MKHASIZPWTWCFG-UHFFFAOYSA-N 269.355 0.688 0 50 CCAA CCCn1cnnc1CNC(=O)[C@@H]1CC2CCN1CC2 1800410644 YMFMUHITGYDSDB-LBPRGKRZSA-N 277.372 0.789 0 50 CCAA CCNC(=O)c1ccc(N[C@H]2CNCC[C@H]2OC)nc1 1704302762 AZMUHLFIUKLFSM-NWDGAFQWSA-N 278.356 0.620 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O 2539206 CPGDRHNBSOQFMF-ZETCQYMHSA-N 281.330 0.399 0 50 CCAA in-vitro C[C@H](C(=O)O)N1CCC[C@@H](C(=O)NCC2CC2)C1 237412808 YWHXGYFKKQFFHP-MWLCHTKSSA-N 254.330 0.698 0 50 CCAA N[C@]12CCC[C@@H]1CN(C(=O)c1ccc3c(n1)CNCC3)C2 1615547706 PMLWEUDTHGAEPE-WBMJQRKESA-N 286.379 0.681 0 50 CCAA CC(C)c1nnc(N2C[C@H]3[C@@H](C2)C3(CO)CO)s1 1772803959 MUILFYVNFQOFRZ-DTORHVGOSA-N 269.370 0.699 0 50 CCAA Cc1c(C)n(CCN2CCOCC2)c2ncnc(N)c12 20573448 FJWKFDWILVJCLY-UHFFFAOYSA-N 275.356 0.963 0 50 CCAA O=C(Nc1ccccc1)[C@@H]1CC(=O)n2ncnc2N1 13122421 NFFBWKQNNUGBNY-VIFPVBQESA-N 257.253 0.741 0 50 CCAA O=C(NCCn1cc(Cl)cn1)[C@H]1CCc2ncnn2C1 1857714595 XTOYXDZEZXJVNG-VIFPVBQESA-N 294.746 0.507 0 50 CCAA O=C1C[C@@H](Cn2ccnc2[C@@H]2[C@H]3CNC[C@H]32)CN1C1CC1 1857730514 VENZNNHJOMYFEV-MUYACECFSA-N 286.379 0.827 0 50 CCAA Cc1[nH]c(=N)[nH]c(=N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)c1Cl 1857732796 HKVSGUVHSXPYNM-HGNGGELXSA-N 297.790 0.546 0 50 CCAA Cc1cc(CC(=O)N2CC[C@H](CO)[C@H](O)C2)cc(C)n1 1857736713 RVIPEOCFPNTUDR-ZIAGYGMSSA-N 278.352 0.443 0 50 CCAA Cc1nc(C)c(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)nc1C 225611108 GLRSMMDDKNMHGG-VXGBXAGGSA-N 288.351 0.752 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)cc1 5363399 SVCQSZKHLAERDL-VIFPVBQESA-N 287.293 0.201 0 50 CCAA in-vitro CCc1cc2c(N3CC(O)(C(N)=O)C3)nc(C)nc2s1 641677938 FOKUUDVXOJTJKQ-UHFFFAOYSA-N 292.364 0.599 0 50 CCAA C[C@H](O)CN1CCN(C(=O)C2(C(=O)O)CC=CC2)C[C@H]1C 663108957 AVSDGJYBNQTZGW-NEPJUHHUSA-N 296.367 0.321 0 50 CCAA CO[C@@H](C)C(=O)N[C@@H](c1nc(=O)o[nH]1)C(C)(C)C 911587108 ORNULDHJQHNUMN-BQBZGAKWSA-N 257.290 0.601 0 50 CCAA C[C@@](O)(CNC(=O)c1cccc2nc(CO)[nH]c12)C1CC1 857841655 UQARFKILUZTGOP-OAHLLOKOSA-N 289.335 0.946 0 50 CCAA COc1cccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1 222637611 NZSRBVOOMHLBDI-VXGBXAGGSA-N 287.337 0.123 0 50 CCAA CCc1noc(CN(C)S(=O)(=O)c2cnc(CC)[nH]2)n1 670459809 SDFLDSXMSLQAFV-UHFFFAOYSA-N 299.356 0.738 0 50 CCAA CC[C@H](C(=O)O)N1CCN([C@H]2CCC[C@H]2O)CC1 364928701 DGLOPLQJFYEMAW-GRYCIOLGSA-N 256.346 0.381 0 50 CCAA COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)[C@H](C)N 381767570 PMAFZFIVCQBVFA-BQBZGAKWSA-N 292.382 0.549 0 50 CCAA O=C(O)c1cc(S(=O)(=O)N2CC(OC(F)F)C2)c[nH]1 398963986 UFTRLTYEETZCTG-UHFFFAOYSA-N 296.251 0.325 0 50 CCAA NC(=O)CN1CCC(NC2CSCCSC2)CC1 826838705 MIYWPGXGBNBHST-UHFFFAOYSA-N 289.470 0.374 0 50 CCAA Cc1cc(C)c(S(=O)(=O)NCC(=O)O)c(C)c1 289787 DBMAKTHWTJUNHI-UHFFFAOYSA-N 257.311 0.975 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1 406653 SJUOVBQXUQFFOY-UHFFFAOYSA-N 281.297 0.169 0 50 CCAA COc1ccc(C(=O)N2CCN(C=O)CC2)cc1OC 455279 UKWPOVDCBAFHIJ-UHFFFAOYSA-N 278.308 0.618 0 50 CCAA COC(=O)c1ccccc1NC(=O)C(=O)NC1CC1 4858293 VEIHOYQAOIIZIN-UHFFFAOYSA-N 262.265 0.690 0 50 CCAA O=C(CCCn1cncn1)NCc1nnc2ccccn12 54127175 KITCQIAEVSIJIY-UHFFFAOYSA-N 285.311 0.417 0 50 CCAA O=C(O)[C@@H]1[C@@H]2C(=O)N(c3ccc(O)cc3)C[C@@]23C=C[C@H]1O3 111945960 LGMIDFONWNZNQJ-ZAZJYDDPSA-N 287.271 0.763 0 50 CCAA O=C(CCSCc1ccc(F)cc1)N[C@@H]1CNC[C@H]1O 65436110 LVSMRSUMQOCICT-CHWSQXEVSA-N 298.383 0.898 0 50 CCAA COCc1nn(C)cc1C(=O)N1CCCc2n[nH]cc21 425283464 LYPJCXHBXCOQFJ-UHFFFAOYSA-N 275.312 0.883 0 50 CCAA NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1 125445 RXXXPZYBZLDQKP-UHFFFAOYSA-N 272.282 0.137 0 50 CCAA biogenic,in-man COc1ccc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)nn1 284683410 PKPVUQMFTRGRII-QWRGUYRKSA-N 294.355 0.276 0 50 CCAA CNC(=O)Cn1cc(NC(=O)[C@@](C)(O)C2CCC2)cn1 362577614 PZSCPDOXVLGGOB-ZDUSSCGKSA-N 280.328 0.119 0 50 CCAA CCc1ccccc1OCC(=O)N1CCO[C@H](C(=O)O)C1 262998668 PLFJBDCOXPXLSS-ZDUSSCGKSA-N 293.319 0.940 0 50 CCAA CN1CC[C@@H](N(C)S(=O)(=O)NCc2ccccc2)C1 71759772 BOWXZJKRPWHDMS-CYBMUJFWSA-N 283.397 0.657 0 50 CCAA CC(C)c1nnc(CN2C[C@@H](F)C[C@H]2CO)n1C 372599980 IQNWBHRXBAPICW-UWVGGRQHSA-N 256.325 0.843 0 50 CCAA O=C(O)CNC(=O)CN1CCCN(c2ccccc2)CC1 262243647 PCLDIQZAPREGEL-UHFFFAOYSA-N 291.351 0.400 0 50 CCAA O=C1C2=Nc3nc(O)ncc3[C@]2(O)c2ccccc21 71780197 CAFYDZQTBFJBSZ-CYBMUJFWSA-N 253.217 0.701 0 50 CCAA COCCCn1cnnc1CNC(=O)CSC 219144066 LKUUWOUWXYRAMW-UHFFFAOYSA-N 258.347 0.294 0 50 CCAA Cc1csc(CCCNC[C@@]2(O)CCNC2)n1 77318902 ZPXIZGZVNCPMRP-LBPRGKRZSA-N 255.387 0.698 0 50 CCAA CN(CCCC(=O)O)S(=O)(=O)NCc1ccccc1 72157096 JDUJFDKNMSJHQI-UHFFFAOYSA-N 286.353 0.818 0 50 CCAA Cc1csc(SCC(=O)NCc2nc(=O)[nH][nH]2)n1 216502681 OCFYGIBCEQMZFF-UHFFFAOYSA-N 285.354 0.271 0 50 CCAA O[C@@]1(CNCCCn2cc(Cl)cn2)CCCNC1 72463256 SXLLKRVNGQBYDQ-LBPRGKRZSA-N 272.780 0.631 0 50 CCAA O[C@@]1(CNCCOCc2ccccc2)CCNC1 77323080 KBMLMIIWVZDZIV-AWEZNQCLSA-N 250.342 0.517 0 50 CCAA O=C1NC2(CCNCC2)C(=O)N1Cc1cc(C2CC2)on1 77452754 YQUIEMATWNVJQQ-UHFFFAOYSA-N 290.323 0.726 0 50 CCAA CCO[C@H](C)C(=O)NCCn1c(C)cc(C)nc1=O 426667678 WLLKBNITUQPNCW-LLVKDONJSA-N 267.329 0.401 0 50 CCAA CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)Cc1cc(C)no1 82120798 UHVLFOSIZFIZQM-QWRGUYRKSA-N 297.330 0.991 0 50 CCAA O=C(NC[C@@]1(O)CCNC1)c1ccc(-c2cncnc2)cc1 426550958 BACGACQCVDXZMV-MRXNPFEDSA-N 298.346 0.598 0 50 CCAA Cc1cc(C)n([C@@H]2CCN(C(=O)CN3CCOCC3)C2)n1 222991803 MBHFFBZBMCRURT-CQSZACIVSA-N 292.383 0.606 0 50 CCAA NC[C@@H](O)CNC(=O)c1ccc(Br)s1 382536964 HNSIYIUWLBXZKZ-RXMQYKEDSA-N 279.159 0.560 0 50 CCAA CCN(Cc1noc(C2CCC2)n1)C(=O)CN(C)C(N)=O 426716132 QHLUXJFWSUORIS-UHFFFAOYSA-N 295.343 0.696 0 50 CCAA Cc1cnn(CCNC(=O)[C@@H]2CCC(=O)N(C3CC3)C2)c1 91713106 CHNISFCVCSLHIH-GFCCVEGCSA-N 290.367 0.709 0 50 CCAA CN(C[C@H](O)CO)C(=O)Nc1ccc2[nH]ccc2c1 95509599 KNLBMGDARMIIBE-NSHDSACASA-N 263.297 0.985 0 50 CCAA C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)CC[C@@]1(O)C1CCC1 91519357 BAJBRNAGUQNGNW-BMIGLBTASA-N 291.351 0.783 0 50 CCAA CC1(C)C(=O)NC(=O)N1Cc1nc(-c2cccnn2)no1 95512491 MUYWCYACERETLN-UHFFFAOYSA-N 288.267 0.357 0 50 CCAA CCCCn1nc(CC(N)=O)nc1-c1cnn(C)c1 96141035 FRAWTEYVUPFICA-UHFFFAOYSA-N 262.317 0.507 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)CC1Cc2ccccc2C1 244601899 DTWJCYNTVWCUPM-KGLIPLIRSA-N 289.331 0.838 0 50 CCAA NC(=O)[C@H](O)C1CCN(Cc2noc3c2CCCC3)CC1 299750993 PCEDAQCOTLCFDZ-CQSZACIVSA-N 293.367 0.612 0 50 CCAA CCc1ncc(C(=O)NCCn2cc(C)cn2)cn1 534655243 RTXNNUSXPRTJAD-UHFFFAOYSA-N 259.313 0.974 0 50 CCAA CNCC(=O)NCc1nncn1CCc1ccccc1 299768178 JXYAVYDZXVQNPG-UHFFFAOYSA-N 273.340 0.356 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2)CN1 299775929 LLYVKVBBPZAXKN-NEPJUHHUSA-N 280.299 0.388 0 50 CCAA CCC[C@@H](NC(=O)CNC(=O)N(C)C)c1nccn1C 299777188 PGLSGDVFCGLAGO-SNVBAGLBSA-N 281.360 0.649 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)NCCN1CCCC1=O 652829092 NHDNLWIKKIARBY-UHFFFAOYSA-N 292.383 0.708 0 50 CCAA CN1CC[C@@H](NC(=O)CN2CCCCCCC2)C1=O 584896209 QBSAEQQOJMMMGE-GFCCVEGCSA-N 267.373 0.599 0 50 CCAA Nc1nc(CNC(=O)CN2CCCCC2=O)cs1 827831964 QFWZBBIYXPINOF-UHFFFAOYSA-N 268.342 0.354 0 50 CCAA CC[C@@H](N)C(=O)N1C[C@H](C)N(CCOC)[C@H](C)C1 152913919 OOQNCYUPRVYFLY-GRYCIOLGSA-N 257.378 0.291 0 50 CCAA CCC[C@@](O)(CN1CCn2c(O)nnc2C1)C(F)(F)F 1875291969 RIOCPMYNABMNNI-SNVBAGLBSA-N 294.277 0.893 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cc2c(cn1)OCCC2 1875273338 QKJVREGAZCMDFB-GORDUTHDSA-N 276.292 0.866 0 50 CCAA C[C@@H]1C[C@H](OC(=O)c2cccc3nn[nH]c23)C(=O)O1 1875252183 HITSGEUKPAAWLU-MUWHJKNJSA-N 261.237 0.819 0 50 CCAA O=C(Cc1cncnc1)N[C@@H]1C[C@H]2C[C@H](C(=O)O)C[C@H]21 1875306112 TZKOQCWDOSVSJS-WRWGMCAJSA-N 275.308 0.635 0 50 CCAA O=C(c1ccc(F)cc1)N1CC(O)(c2cc[nH]n2)C1 1875344761 OMVAYCUZWFDXPM-UHFFFAOYSA-N 261.256 0.892 0 50 CCAA Cc1cc(O)c(COC(=O)CC[C@H]2CCC(=O)N2)nn1 1875332607 AQIAOMHSKCSXDV-SECBINFHSA-N 279.296 0.593 0 50 CCAA Cc1cnc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c(O)c1 887005006 AIYCEKSWCMXYRW-VXGBXAGGSA-N 292.335 0.755 0 50 CCAA O=C(O)CCNS(=O)(=O)c1occc1Br 899546566 VTJVJYGUDYPIHW-UHFFFAOYSA-N 298.114 0.795 0 50 CCAA C[C@H]1CN(C(=O)CCCN2CCOCC2)C[C@]1(O)C1CC1 1565515759 HIJJLZPNOYXMFG-XJKSGUPXSA-N 296.411 0.718 0 50 CCAA CN(CCO)C1CCN(CCn2cc(Cl)cn2)CC1 1506431423 JLMLGNKYKUSEFG-UHFFFAOYSA-N 286.807 0.925 0 50 CCAA C[C@@H](CO)NC(=O)[C@@]1(C)Oc2ccccc2NC1=O 630728567 VSJRQQAAXYMXMY-ISVAXAHUSA-N 264.281 0.273 0 50 CCAA Cc1nn(C)c2c1N(C(=O)c1n[nH]c(C)c1O)CCO2 631764076 HXYLGXAHUAKLMW-UHFFFAOYSA-N 277.284 0.505 0 50 CCAA COC(=O)c1cccc(S(=O)(=O)N2CCO[C@H](C)C2)c1 170639706 VAPWTAXJPYAUQU-SNVBAGLBSA-N 299.348 0.883 0 50 CCAA CS(=O)(=O)NC(=O)c1cccc([C@@H]2CCOC2)c1 408107059 NIDYWXPTAJTCIM-LLVKDONJSA-N 269.322 0.880 0 50 CCAA O=C(O)CNC(=O)c1ccc(C(=O)NC2CC2)cc1 190533401 LRRMNDICQXNTCM-UHFFFAOYSA-N 262.265 0.393 0 50 CCAA Cc1conc1NC(=O)Cn1nc2n(c1=O)CCCC2 650027333 SBHMGLFLTWOMBT-UHFFFAOYSA-N 277.284 0.316 0 50 CCAA CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCC=CO2)CC1 194043979 UTTGSEWWVPDYPQ-LSDHHAIUSA-N 293.411 0.918 0 50 CCAA Cc1n[nH]cc1CN(C)c1cc2nncn2c(N)n1 1529144020 CPNIASYHTFNMFM-UHFFFAOYSA-N 258.289 0.374 0 50 CCAA O=C(O)c1ncn(C[C@@H](O)c2ccc(F)cc2)n1 1609001214 KNZNEXFCGHNJAL-SECBINFHSA-N 251.217 0.849 0 50 CCAA NC(=O)CN1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1615740108 SDPXGYUFRJPRAR-WFASDCNBSA-N 285.347 0.555 0 50 CCAA OC[C@@H]1CN(CCc2ccc(O)cc2)CC[C@@H]1O 1615964572 QMMHKPOLRJGOPR-JSGCOSHPSA-N 251.326 0.610 0 50 CCAA CC(C)[C@H](N)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 161819945 MJESIOKBAUCBPP-CBAPKCEASA-N 254.252 0.495 0 50 CCAA CCN1CCN(C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)CC1 138660771 HZXBQHDDJXYSRI-ZDEQEGDKSA-N 280.368 0.897 0 50 CCAA O=C(c1cn(CCN2CCCCC2)nn1)N1CCCCO1 11661882 FLIILRZXNPLBJL-UHFFFAOYSA-N 293.371 0.932 0 50 CCAA O=c1[nH]c2ccc(S(=O)(=O)N3CCCC3)cc2o1 11691479 LJIQLYNTTYIUOR-UHFFFAOYSA-N 268.294 0.906 0 50 CCAA CCOC(=O)CSc1nc(O)c(NC(C)=O)c(O)n1 13388267 PGFJWTVGTCDVEI-UHFFFAOYSA-N 287.297 0.501 0 50 CCAA C[C@@H](O)c1cn(C2CCN(c3cnccn3)CC2)nn1 19224390 UPCHUKQNMLNTRX-SNVBAGLBSA-N 274.328 0.963 0 50 CCAA C[C@](NC(=O)C[C@H]1CCCN1)(C(N)=O)c1ccccc1 154092607 FOUQGNOPKSPKBC-IUODEOHRSA-N 275.352 0.645 0 50 CCAA CO[C@H]1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C[C@@H]1O 1857531901 DPLXIFQCVZQYFX-QWRGUYRKSA-N 276.296 0.098 0 50 CCAA NC(=O)[C@H]1CCN(c2cc(N3CCCC3)ncn2)C1 225478217 CDTGBJOBJSMOMI-JTQLQIEISA-N 261.329 0.388 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)Cc1ccnn1C 643853559 DAALKMHDLGLZRD-ZDUSSCGKSA-N 281.312 0.055 0 50 CCAA CN(C)C/C=C/C(=O)NCC(=O)NCCc1ccccc1 265607809 DPUVHNKZXDONBM-RMKNXTFCSA-N 289.379 0.579 0 50 CCAA Cc1cc(C)nc(N2CC[C@H](C(=O)O)[C@H](O)C2)n1 1704335961 JKFZLTZFGFAAMJ-VHSXEESVSA-N 251.286 0.365 0 50 CCAA C[C@H](O)[C@@H](O)CN1CC[C@H](Oc2cccnc2N(C)C)C1 930486707 OXPZCBXZAMOOSZ-AVGNSLFASA-N 295.383 0.342 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(F)cc1F 218940833 CUEZYMKKCMADNI-GHMZBOCLSA-N 257.236 0.844 0 50 CCAA NC[C@@H]1CCCN1C(=O)Cc1cn2ccccc2n1 237953185 LIKSDJXVVRCAGF-LBPRGKRZSA-N 258.325 0.827 0 50 CCAA CN(C(=O)[C@H]1C[C@H]2CC[C@H]1O2)[C@H]1C[C@@H](C(=O)O)C1 659230250 DOSCACCLNGOUOG-NZHYYXIDSA-N 253.298 0.876 0 50 CCAA O=S(=O)(N1CCCCC1)N1CCC[C@]2(CCNC2)C1 367887446 SGQMVKARXPTVNO-CYBMUJFWSA-N 287.429 0.793 0 50 CCAA CNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 383544226 FKDJXZRMTFDRAJ-MRVPVSSYSA-N 298.320 0.032 0 50 CCAA CCN1C[C@H]2C[C@@H]1CN2C(=O)N[C@H]1CCC(=O)N[C@@H]1C 2325768466 HDHHFCGGVYVWEG-KKOKHZNYSA-N 280.372 0.142 0 50 CCAA COc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4009110 TYSFSRXRSFMYIX-SNVBAGLBSA-N 299.348 0.377 0 50 CCAA CCN[C@H](C)CNC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O 418283395 ROGDPSPZWQIUHX-IJLUTSLNSA-N 282.388 0.437 0 50 CCAA CCOC(=O)c1[nH]c(=O)[nH]c1COC(=O)c1ccco1 9191426 JBSNMSGZLAJBJW-UHFFFAOYSA-N 280.236 0.830 0 50 CCAA C[C@H]1CN(CCCNC(=O)c2cn(C)cn2)C[C@@H](C)O1 178177628 FVEIDDGRTJHOTG-TXEJJXNPSA-N 280.372 0.649 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(Cc3ccno3)C[C@@H]2C)CC1 229922209 JSMGUDKQBRPVMS-SWLSCSKDSA-N 292.383 0.659 0 50 CCAA COc1ccc(C)cc1NC(=O)CN[C@@H](C)CO 65406641 BIRKJZMJPPTJHC-JTQLQIEISA-N 252.314 0.913 0 50 CCAA Cc1cnc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cn1 331725613 MVDIQZGOQYACIK-LBPRGKRZSA-N 286.339 0.929 0 50 CCAA O=C1NC(=O)[C@](Cc2cccc(F)c2)(C2CCNCC2)N1 67883785 ZZAZDGLWQGBVGB-HNNXBMFYSA-N 291.326 0.946 0 50 CCAA CNC(=O)[C@H]1CCCCN1Cc1nccn1CCOC 216333290 MEZLMPIKVTUUCU-GFCCVEGCSA-N 280.372 0.630 0 50 CCAA COCc1nnc(C(=O)N(C)C[C@]2(C)CCN(C)C2)o1 71758876 VYWXGWKSQBTCPN-CYBMUJFWSA-N 282.344 0.630 0 50 CCAA Cc1cc(NC(=O)CN2C[C@@H](F)C[C@H]2CO)on1 330559983 JDPPTDJYGGPHIH-IUCAKERBSA-N 257.265 0.326 0 50 CCAA COC(=O)c1coc(CN2CCC[C@@](O)(CO)CC2)n1 72169697 UACKXFRISQYHRV-ZDUSSCGKSA-N 284.312 0.171 0 50 CCAA COc1cc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc(C)n1 330582910 VKRFAOKDMKYHMW-QWRGUYRKSA-N 268.288 0.944 0 50 CCAA CC[C@]1(C)COCCN1C(=O)CCn1cncn1 330643970 YHGMKKSSDJNVCE-GFCCVEGCSA-N 252.318 0.696 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1n[nH]c2c1CCC2 216046882 XSMZLFBWRYACDH-STQMWFEESA-N 292.383 0.736 0 50 CCAA N[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@H]3NC4)C[C@@H]21 333301806 IYIYXEKYHZOWLF-PLJUSGQGSA-N 277.412 0.960 0 50 CCAA Cc1cc(NCc2nnn[nH]2)n2nc(C)c(C)c2n1 72418453 ZQRDEFQTZRTEFB-UHFFFAOYSA-N 258.289 0.780 0 50 CCAA COC[C@H](N)C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 262442880 VBADYFSSPSSPJR-QWHCGFSZSA-N 297.786 0.787 0 50 CCAA CCOC1CC(C(=O)N2CCS(=O)(=O)CC[C@@H]2C)C1 377208582 NYWDXXJWZHLYCB-UNXYVOJBSA-N 289.397 0.837 0 50 CCAA CN(C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12)C1CC1 336575249 BFWHFSGZAPKCFP-MNOVXSKESA-N 251.330 0.944 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)N1CCOc2ccncc21 288170997 OTCIYGUEZWFPLM-UHFFFAOYSA-N 294.336 0.711 0 50 CCAA Cc1cccc(=O)n1CCC(=O)N1CCCC[C@@H](N)C1 82086524 WJEHRJPOWZSMTI-CYBMUJFWSA-N 277.368 0.887 0 50 CCAA COCc1cc(CNC(=O)c2n[nH]c3c2CCC3)[nH]n1 426438868 LWFQWEDXTAZMTC-UHFFFAOYSA-N 275.312 0.698 0 50 CCAA CC(=O)N[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]2CCO[C@H]21 222384939 ZXTJZVWOPIZBOO-SASUGWTJSA-N 297.742 0.690 0 50 CCAA CCCn1cnnc1CN(C)C(=O)C1(CO)CC1 223286240 HGUKHSHJMDCLKA-UHFFFAOYSA-N 252.318 0.419 0 50 CCAA O=C(c1ccc2nnnn2c1)N1Cc2ccccc2[C@@H](O)C1 82091813 YYIMUBZFJLKCDB-ZDUSSCGKSA-N 295.302 0.814 0 50 CCAA CCc1nnc(CNC(=O)c2nnc3nc(C)ccn23)o1 426486174 NPPFFKVBRWQWIK-UHFFFAOYSA-N 287.283 0.308 0 50 CCAA O=C(c1ccccn1)N1CCC(c2nc(O)n[nH]2)CC1 538831492 DVKDXPWJZJKZIZ-UHFFFAOYSA-N 273.296 0.925 0 50 CCAA C[C@@H](C(=O)NCc1nc(O)n[nH]1)N1CCCCC1 426441726 GYGRCZWDXJHJKG-QMMMGPOBSA-N 253.306 0.001 0 50 CCAA C[C@@H]1CN(C(=O)c2cnc3[nH]c(O)nc3c2)C[C@@]1(C)CO 620469033 IAKAAKKBESWKGQ-CLAHSXSESA-N 290.323 0.754 0 50 CCAA CCOC[C@H](O)CNC(=O)c1cc(C)c(CC)n(C)c1=O 97785071 GOEQYJYKQLXLSX-LLVKDONJSA-N 296.367 0.383 0 50 CCAA COc1cccc(-c2cc(C(=O)N3CC(O)C3)[nH]n2)c1 91410342 KNNDWLIAHXTHCS-UHFFFAOYSA-N 273.292 0.902 0 50 CCAA CC(C)Cn1cncc1CN1CCS(=O)(=O)CC1 244816883 SQGYQDARMWDVII-UHFFFAOYSA-N 271.386 0.770 0 50 CCAA Cc1ccnn1CCN1CCN(c2cnccn2)CC1 244899696 ZOFWMLNGLHVFKM-UHFFFAOYSA-N 272.356 0.804 0 50 CCAA Cn1cc(N2CC[C@H](Sc3ncnn3C)C2=O)cn1 184152461 IOVXMEQOZQJIKD-VIFPVBQESA-N 278.341 0.446 0 50 CCAA C[C@]1(C(=O)O)CCN(C(=O)COC[C@@H]2CCCO2)C1 299746045 UYMPFQAYMWXLHV-GWCFXTLKSA-N 271.313 0.505 0 50 CCAA COc1cc(S(=O)(=O)n2cncn2)c(OC)cc1C 252497229 QBWCIFUAFSXORS-UHFFFAOYSA-N 283.309 0.841 0 50 CCAA CCc1nc(N2C[C@H]3CNC[C@]3(CN(C)C)C2)no1 1775980267 WUMIKCKYYATJSZ-MFKMUULPSA-N 265.361 0.219 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCCN2CCC[C@@H](O)C2)o1 299796304 PMFAVWGUABYIEE-GFCCVEGCSA-N 294.351 0.525 0 50 CCAA CNC(=O)c1ccc(CNC(=O)COC[C@H]2CCCO2)o1 299801341 VXEVFQJYSMQMMD-LLVKDONJSA-N 296.323 0.451 0 50 CCAA Cc1cc(CC(=O)N2CCN3C(=O)OC[C@H]3C2)on1 497073607 RGRHTNSNKOERQS-SECBINFHSA-N 265.269 0.189 0 50 CCAA CC(C)C[C@H](O)C(=O)N1CCC(=O)N(CCN(C)C)CC1 820955027 MKOSWAIDKCQDDI-ZDUSSCGKSA-N 299.415 0.016 0 50 CCAA CCNC(=O)c1ccc(N[C@@H]2CCCCNC2=O)nc1 732920413 PSPAZZOUDNJPMQ-LLVKDONJSA-N 276.340 0.912 0 50 CCAA CNC(=O)c1noc(CNC(=O)c2ncoc2C(C)C)n1 584893966 VJKYUZKMULVBJO-UHFFFAOYSA-N 293.283 0.471 0 50 CCAA CCOC[C@@H](O)Cn1cnc2ccc(OC)cc2c1=O 584902425 UFDDOPRTSJNYRI-JTQLQIEISA-N 278.308 0.803 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 900779804 BEUCOIBEQAGYDJ-WDEREUQCSA-N 281.356 0.181 0 50 CCAA Cc1nccn1CC(=O)N(C)Cc1cnn(C)c1C 670451374 MDKVVDMRHIALCA-UHFFFAOYSA-N 261.329 0.892 0 50 CCAA CC1(C)OCC[C@H]1NS(=O)(=O)N=S1(=O)CCCC1 867331801 WPISANXVZWTLDH-SECBINFHSA-N 296.414 0.650 0 50 CCAA CN1CC(=O)Nc2c1ncnc2N1CCOC(C)(C)C1 1875294728 VFPYDPYWJYZZSO-UHFFFAOYSA-N 277.328 0.480 0 50 CCAA O=S(=O)(C[C@@H]1C[C@H]1C(F)F)NCc1cc[nH]n1 1875288521 JKYJSDFTOIMGCH-POYBYMJQSA-N 265.285 0.730 0 50 CCAA O=C1C[C@H]2CCCCN2C(=O)[C@H]([C@@H]2CCCO2)N1 1875311151 OPVSNUQPVPKFET-SCVCMEIPSA-N 252.314 0.435 0 50 CCAA CC(C)n1cc(Cn2cc3c(n2)C[C@@H](O)CC3)nn1 1875336984 MONXWEZVJJNOJT-LBPRGKRZSA-N 261.329 0.953 0 50 CCAA C=CC(=O)NCCC(=O)N(C)Cc1cncn1C 1875367690 FGFDGQLHFKFJHI-UHFFFAOYSA-N 250.302 0.071 0 50 CCAA O=C(CCN1CCN(CCO)CC1)Nc1ccccc1 19841423 PLROYJKXWMZDES-UHFFFAOYSA-N 277.368 0.625 0 50 CCAA C[C@H]1CCN(S(=O)(=O)N2Cc3c[nH]nc3C2)C1 632565710 ASOXUOGAYKWHGO-QMMMGPOBSA-N 256.331 0.312 0 50 CCAA C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)CCc1nn[nH]n1 633065488 JYMFGNNDMHNIPF-QWRGUYRKSA-N 278.360 0.218 0 50 CCAA C[C@H]1CN2CCC[C@H]2CN1C(=O)CCCc1nn[nH]n1 635565315 NGSBPQOSWQKBDI-QWRGUYRKSA-N 278.360 0.218 0 50 CCAA C[C@]1(C(=O)NCCOCC(N)=O)CCc2ccccc2C1 408513584 PENVLFLFHZBGPB-INIZCTEOSA-N 290.363 0.800 0 50 CCAA O=C(N[C@@H]1Cc2ccncc2C1)c1ccc2c(c1)COB2O 585002298 SNNOZLXTADKZPH-CQSZACIVSA-N 294.119 0.197 0 50 CCAA Cc1nncn1CCN(C)CCCN1CCOCC1 1506411613 RNJRXQMEQFSWJJ-UHFFFAOYSA-N 267.377 0.241 0 50 CCAA COc1nccnc1NCCN1CCCC[C@H]1CO 1529158933 KHZIBEXTSDAHAM-NSHDSACASA-N 266.345 0.744 0 50 CCAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1sccc1Cl 1857732318 LRDMZBLWBSMQPV-YIZRAAEISA-N 291.756 0.642 0 50 CCAA COCCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1615936319 ZHFPAWRXXILTET-OLZOCXBDSA-N 264.325 0.792 0 50 CCAA CC1=C(C(=O)N[C@H]2CCCC[C@H]2O)S(=O)(=O)CCO1 242183887 XCTAPMSDRPHFPY-VHSXEESVSA-N 289.353 0.083 0 50 CCAA CCS(=O)(=O)C1CN(C(=O)c2cccc(OC)c2)C1 456315713 WVQKQLWPWALBRO-UHFFFAOYSA-N 283.349 0.954 0 50 CCAA CN(C[C@@H](O)CF)[C@H]1CCCN(c2cccnn2)C1 1615587071 AXLNEZVUOSJELD-RYUDHWBXSA-N 268.336 0.708 0 50 CCAA C[C@](O)(CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21)C(F)(F)F 367924261 JDCGMWURDOEQAJ-SJQPAMGKSA-N 297.273 0.467 0 50 CCAA Cn1ncc2c(O)nc(CN3C[C@H]4C[C@]4(C)C3)nc21 1772814507 CSCLOCZGIHIUQG-AMIZOPFISA-N 259.313 0.911 0 50 CCAA CC[C@H](C(=O)Nc1nnc(C)s1)N1CCOCC1 15921214 RQOOZHJLDKUHBB-SECBINFHSA-N 270.358 0.896 0 50 CCAA O=C(NCCN1C(=O)c2ccccc2C1=O)c1cnccn1 16576641 VMZSLPZLVUJNIS-UHFFFAOYSA-N 296.286 0.503 0 50 CCAA O=C(c1cc2cccnc2[nH]1)N1C[C@@H](CO)C[C@H](CO)C1 1857527609 VOPVQJXBQXEESV-QWRGUYRKSA-N 289.335 0.626 0 50 CCAA Cc1cc(C(=O)O)nc(N2C[C@@H]3CCOC[C@]3(CO)C2)n1 1857669447 ATKGVLFBUYQOQW-IINYFYTJSA-N 293.323 0.318 0 50 CCAA CC[C@]12COC(=O)N1CCN(C(=O)c1cccc(N)n1)C2 1857681375 BSJFUEMGQZELSQ-AWEZNQCLSA-N 290.323 0.721 0 50 CCAA C[C@@H](NC(=O)c1cncc(F)c1)c1n[nH]c(=N)s1 1857687441 RGGFTOPKXIFHME-RXMQYKEDSA-N 267.289 0.976 0 50 CCAA CN1C[C@@H](Cn2ccnc2-c2cccn(C)c2=O)CC1=O 1857695250 AWBJPVCXHUTAMJ-NSHDSACASA-N 286.335 0.727 0 50 CCAA Cc1nn(C)cc1C(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1875249320 SSTIQMHISPUMTB-NEPJUHHUSA-N 278.356 0.131 0 50 CCAA CCOCC(=O)N1CC[C@@H](N=c2ccc3nccn3[nH]2)C1 354694370 KCHHNFCJPJWOCB-LLVKDONJSA-N 289.339 0.201 0 50 CCAA COc1ccc(F)cc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 152766808 HUZUHFYFTRBEAT-GXTWGEPZSA-N 294.326 0.989 0 50 CCAA CS(=O)(=O)CCNC(=O)[C@@H]1CCc2ccccc2C1 844344081 QOMQQYUJMMXMGJ-CYBMUJFWSA-N 281.377 0.952 0 50 CCAA Cc1cc(N2CC[C@@H](NCc3cn(C)cn3)C2=O)n(C)n1 808391519 NWCDIZCXUDGTIY-GFCCVEGCSA-N 288.355 0.357 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](CN)CC(C)C 111372926 RYVUAZUXEOECIC-LLVKDONJSA-N 288.417 0.689 0 50 CCAA C[C@@H]1CCCN(C(=O)CN2CCNCC2=O)[C@@H]1C 237497697 HRJYMBQPXOFRFN-GHMZBOCLSA-N 253.346 0.065 0 50 CCAA C[C@H]1CN(CCCN2C(=O)CNC2=O)CCCO1 170764545 WBGWAXRIMDAMNM-JTQLQIEISA-N 255.318 0.039 0 50 CCAA O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@@H](CO)C1 51884706 OARGISZECRKDJD-SECBINFHSA-N 273.292 0.378 0 50 CCAA CC[C@H](C)[C@@H](N)C(=O)N1CCOC2(CCOCC2)C1 182590821 HJXIAZWYFGXWTQ-NWDGAFQWSA-N 270.373 0.768 0 50 CCAA O=S1(=O)CCC(O)(CNC[C@H]2CC=CCC2)CC1 328857092 DDFHSIVXVDSABT-LBPRGKRZSA-N 273.398 0.872 0 50 CCAA Cn1ncnc1CNC[C@H](O)c1c(F)cccc1F 389320099 AVJKNVWLOKEPIJ-JTQLQIEISA-N 268.267 0.917 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)COC(C)=O)cc1 49956 SURJFFCNBFNNOG-UHFFFAOYSA-N 271.294 0.939 0 50 CCAA O=C(O)CS(=O)(=O)CC(=O)Nc1ccccc1 392074 KLIYXOULVANCJK-UHFFFAOYSA-N 257.267 0.125 0 50 CCAA C[C@H]1C(=O)N(CCc2ccccc2)Cc2nnc(CO)n21 2356138474 MWFFLAGBRMCKCB-NSHDSACASA-N 286.335 0.916 0 50 CCAA O=C(c1cncs1)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O 2356146378 CSURZOQVAHYMQF-ONGXEEELSA-N 298.364 0.260 0 50 CCAA O=C1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CN1 134074769 MIMAPRDZHGTXQQ-VXGBXAGGSA-N 290.319 0.325 0 50 CCAA Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)NCC[C@]314 4102208 ONBWJWYUHXVEJS-ZTYRTETDSA-N 271.316 0.856 0 50 CCAA in-man CC(C)[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)O 4787342 IEHDJWSAXBGJIP-VXGBXAGGSA-N 264.325 0.782 0 50 CCAA endogenous,in-man C[C@H](CN)CNC(=O)NC[C@@H]1NCCc2ccccc21 418500400 ZGMIUAVMFAUPSA-RISCZKNCSA-N 276.384 0.767 0 50 CCAA COC(=O)CC[C@H](NC(=O)c1ccc(N)cc1)C(=O)OC 9207365 KTNFJPQFZZYFPU-NSHDSACASA-N 294.307 0.493 0 50 CCAA C[C@@H]1C[C@@H](C)CN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 241338642 MCQOWQOTAJGLJI-UTUOFQBUSA-N 288.413 0.268 0 50 CCAA Cc1c([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)O)cnn1C 249376645 LBFHIJXQHCZUNG-NBEYISGCSA-N 251.286 0.626 0 50 CCAA O=C1Nc2ccccc2/C1=C/NCCN1CCOCC1 27178590 SEWKVVRVYBWQJE-QBFSEMIESA-N 273.336 0.901 0 50 CCAA CCN1CCN(C(=O)CCNC(=O)c2ccccc2)CC1 20028315 OMZFLJQYCNPEOB-UHFFFAOYSA-N 289.379 0.971 0 50 CCAA COc1ccnc(N2CCN(C[C@H](C)O)[C@@H](C)C2)n1 252474439 DPWMXEARYIONOI-QWRGUYRKSA-N 266.345 0.377 0 50 CCAA C[C@@H]1CCCN(CCNC(=O)[C@H]2CCS(=O)(=O)C2)C1 252452683 WDQGOBMIMTXZSW-NEPJUHHUSA-N 288.413 0.269 0 50 CCAA CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CNCCO2)cc1 152004830 LKLNWNSZDHWHBD-HUUCEWRRSA-N 291.395 0.914 0 50 CCAA CO[C@]1(C)CCCN(S(=O)(=O)N2CCOCC2)CC1 332211926 GZRZVRUNKLWRRZ-GFCCVEGCSA-N 292.401 0.454 0 50 CCAA CSC1(CNC(=O)[C@H]2C[C@H]2C(=O)O)CCOCC1 262364416 DSXSWARSCJYITJ-DTWKUNHWSA-N 273.354 0.736 0 50 CCAA O=S(=O)([C@@H]1CCOC1)N1CCC[C@H](n2cncn2)C1 329252665 VNYWONCXADUOAK-WDEREUQCSA-N 286.357 0.034 0 50 CCAA Cc1cc(N)n(CC(=O)N2CCC(n3cnnc3)CC2)n1 215416882 BUHPFRRSORPVRV-UHFFFAOYSA-N 289.343 0.229 0 50 CCAA O=C(N[C@H]1CCOC2(CCOCC2)C1)c1c[nH]c(=O)cn1 216170508 FKQREGWBQWZJDP-JTQLQIEISA-N 293.323 0.228 0 50 CCAA Cc1cc(CC(=O)N2CCO[C@@H](CC(=O)O)C2)no1 262054583 GAJIAPXHNAQKCP-JTQLQIEISA-N 268.269 0.228 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2CNC[C@H]2O)c2[nH]ncc2c1 262117491 FRCVUSRPPYGGRI-CMPLNLGQSA-N 274.324 0.181 0 50 CCAA Cc1occc1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)O 219785571 JRSYDDYZGRSZGX-MNOVXSKESA-N 283.280 0.577 0 50 CCAA CN(c1cccc(C(=O)NC2CC2)c1)S(C)(=O)=O 72139295 IRKLGZKOWUQECI-UHFFFAOYSA-N 268.338 0.975 0 50 CCAA COc1ccc([C@@H](NC(=O)CN(C)C)C2CC(O)C2)cn1 220594712 NGFIHZAVRVFQQE-KOHJWAIASA-N 293.367 0.580 0 50 CCAA C[C@@H](CN(C)CCO)N1CCC2(CCNCC2)C1 426514945 ZWJJSQADMBOMLX-ZDUSSCGKSA-N 255.406 0.375 0 50 CCAA Nc1nc(NCCCCO)cc(C2CC(N)C2)n1 223382123 KCUXIVOMKSXRQJ-UHFFFAOYSA-N 251.334 0.448 0 50 CCAA c1cn(C[C@@H]2CCCN(CCn3cncn3)C2)cn1 43027871 XRPJQNSZGVFVLQ-CYBMUJFWSA-N 260.345 0.887 0 50 CCAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ccnnc1 223889458 GCPOGXNNRXJPKY-XJFOESAGSA-N 288.351 0.458 0 50 CCAA Cc1nn[nH]c1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 426739093 RPHFXDVVKOQTKD-LLVKDONJSA-N 286.291 0.765 0 50 CCAA CCOC(=O)c1cn(CC(C)=O)c(C(=O)OCC)n1 221633145 OFYHJTUTGYGFOG-UHFFFAOYSA-N 268.269 0.826 0 50 CCAA CCN1CC[C@H]2OCCN(C(=O)CCc3ncc[nH]3)[C@H]2C1 293786856 CDQBVIRIKPAFIE-QWHCGFSZSA-N 292.383 0.664 0 50 CCAA Cc1nnc2n1[C@H](C)CN(C(=O)C1CCOCC1)C2 96132819 QWRGSGOKYSDPGD-SECBINFHSA-N 264.329 0.916 0 50 CCAA CCCn1cc(C(=O)NCC(=O)NC2CC2)c(C)n1 91616886 CCTMMMLKBYJRCL-UHFFFAOYSA-N 264.329 0.610 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25CC=CC[C@]12[C@H]5[C@H]43 248066530 WDYAGNOENDYYHH-QDXWHDHDSA-N 269.304 0.286 0 50 CCAA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cc[nH]n1 244633652 GGYFDJQDIVSPRQ-MBNYWOFBSA-N 286.335 0.917 0 50 CCAA Cc1noc(C)c1CN(C)CCn1cc[nH]c1=O 244795129 RABNEWSHFPTZQH-UHFFFAOYSA-N 250.302 0.913 0 50 CCAA CCNc1nc(=O)n([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)cc1C 253471480 TXRRVNODEOVMHL-AEJSXWLSSA-N 294.315 0.942 0 50 CCAA COc1ccc2c(c1)C[C@H](C(=O)N(C)CC(=O)O)CO2 299753075 WSJHHVCMZOECSS-JTQLQIEISA-N 279.292 0.789 0 50 CCAA N[C@@H]1CCCCCN(C[C@H](O)Cn2cccn2)C1 864097251 QZNZPXZKJVYUSV-OLZOCXBDSA-N 252.362 0.447 0 50 CCAA Cc1nc(CCNC(=O)[C@@H]2C=CCN2)nc2c1CCC2 534590017 XMHGMMFPGJIQTC-ZDUSSCGKSA-N 272.352 0.460 0 50 CCAA NC(=O)c1cncc(NCC2(CN3CCCC3)CC2)n1 534583386 LETXDWGGBRVYOK-UHFFFAOYSA-N 275.356 0.863 0 50 CCAA COCCc1noc(CNC(=O)C[C@H]2CCCOC2)n1 534676876 XHFKKRVFCCZUGL-SNVBAGLBSA-N 283.328 0.691 0 50 CCAA COCC1(CNC(=O)[C@@H](NC(C)=O)C(C)C)CC1 534653068 VCVHLIDZMNFSDQ-NSHDSACASA-N 256.346 0.690 0 50 CCAA CCS(=O)(=O)N1CCC(CN)(C(F)(F)F)CC1 725264708 LUNBXPGHBBXRKP-UHFFFAOYSA-N 274.308 0.939 0 50 CCAA Cc1cnccc1Cn1cnc2cn(C)nc2c1=O 584886237 YJAPKUDCFFPPJW-UHFFFAOYSA-N 255.281 0.882 0 50 CCAA Cn1c(O)nnc1CCNC1CC(C)(C)NC(C)(C)C1 822293556 AABCBKFZWJVJOA-UHFFFAOYSA-N 281.404 0.962 0 50 CCAA COCC1(CNC(=O)CN2CCC[C@H](O)C2)CCC1 584898003 QHGFJRYIXFCRJE-LBPRGKRZSA-N 270.373 0.376 0 50 CCAA CCN1CCN(CCCNC(=O)CCCCN)CC1 1866097814 ZZPLVERLUAVEAL-UHFFFAOYSA-N 270.421 0.259 0 50 CCAA COC1CC(C(=O)NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)C1 952887845 FQLAGUBDWLDVMC-PMUOWJKOSA-N 280.328 0.424 0 50 CCAA C[C@@H]1C[C@H](NC(=O)c2cc[nH]c3nccc2-3)C(=O)O1 1875283752 DOZDIXRYUWIVTK-XCBNKYQSSA-N 259.265 0.948 0 50 CCAA Cc1csc(C(=O)N2CCN(C)[C@@H](CO)C2)n1 1875281967 HGTIEJBQJDKCKW-SECBINFHSA-N 255.343 0.200 0 50 CCAA Cc1cccn2c(=O)cc(Cn3c(C)noc3=O)nc12 1875391521 ORNFPUZEBUMFFY-UHFFFAOYSA-N 272.264 0.509 0 50 CCAA C=CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CC(N)=O)CC1 1875369840 LVYUJLCEHZUPBV-JTQLQIEISA-N 281.356 0.133 0 50 CCAA CCc1nccn1CCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 952971926 AHBFFNSBLMYEIS-ZDUSSCGKSA-N 299.396 0.529 0 50 CCAA O=C1C[C@@H](C(=O)NC2(c3ccccc3F)COC2)CCN1 886640770 LPBLTZYKYWTTHV-JTQLQIEISA-N 292.310 0.694 0 50 CCAA Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2n[nH]cc2C)ncn1 1062485670 CMZOFBCMTJGTAH-RYUDHWBXSA-N 298.350 0.920 0 50 CCAA CC(C)C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 888095643 WSTKNSLMJBQRMJ-NHCYSSNCSA-N 254.330 0.585 0 50 CCAA Cn1nncc1CC(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 1775957993 WTADGRZADOBLBK-NWDGAFQWSA-N 290.327 0.197 0 50 CCAA CCc1nnc(SC[C@]2(C(=O)OC)CCCO2)n1N 1775993456 RDZPMPSVEUKFHU-NSHDSACASA-N 286.357 0.369 0 50 CCAA CNC(=O)N[C@@H]1CCN(C(=O)NC[C@H](C)CC(F)F)C1 1365411610 GSJDEABQUNGBOY-RKDXNWHRSA-N 292.330 0.991 0 50 CCAA CC[C@@H](C)S(=O)(=O)NC(=O)c1cc2n(n1)CCO2 408474815 ROEUVHODZQDMEM-SSDOTTSWSA-N 273.314 0.134 0 50 CCAA Cc1nc(C)c(S(=O)(=O)N2CCN[C@H](C)C2)s1 187154435 ONBMOPVCZDAQKL-SSDOTTSWSA-N 275.399 0.742 0 50 CCAA CC[C@H]1CN(C[C@H]2CCc3ncnn32)CCN1CCOC 639478806 RPPDCIUNPQXPFQ-UONOGXRCSA-N 293.415 0.808 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1c[nH]nc1C 643763122 TVZJFCJOCPQIQM-LBPRGKRZSA-N 252.318 0.184 0 50 CCAA CS(=O)(=O)C[C@@H]1CCCN(c2ncc(F)cn2)C1 644866429 KQWCBGSOTIMICE-SECBINFHSA-N 273.333 0.877 0 50 CCAA c1cc(CN=c2[nH]ccn3nnnc23)c2c(c1)NCCC2 562832607 MHIYRZVHZZTOGJ-UHFFFAOYSA-N 281.323 0.911 0 50 CCAA C=CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C 585124829 VBJVUXMZYVKELD-JTQLQIEISA-N 284.356 0.867 0 50 CCAA Cc1noc(C)c1CN1CCC[C@@](O)(c2cnn[nH]2)C1 794009785 OISATQNWBNGJBT-ZDUSSCGKSA-N 277.328 0.893 0 50 CCAA CN(CC(F)(F)F)C(=O)c1c[nH]nc1-n1cnnn1 1506396667 DYCYVCIWZCZAFL-UHFFFAOYSA-N 275.194 0.020 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3cccnc3N)C[C@H]2O)on1 1529114204 MMRHSMWFIYYYBS-TZMCWYRMSA-N 288.351 0.996 0 50 CCAA COc1cccc(OC)c1[C@H](C(=O)O)N(C)CC(N)=O 1529151454 CAPBRLNGUXRUBA-GFCCVEGCSA-N 282.296 0.247 0 50 CCAA CC(C)c1ccc(N2CC3(CNC(=O)N3C)C2)nn1 1857726788 CJOPTAAFWCVGHA-UHFFFAOYSA-N 261.329 0.814 0 50 CCAA Cn1nccc1[C@H]1CN(C(=O)NCc2ccon2)CCO1 1614999104 NVCCMPWIHTYZRD-GFCCVEGCSA-N 291.311 0.691 0 50 CCAA C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cscn1 120938809 WMBXLLKSOPVXCL-JGVFFNPUSA-N 274.367 0.791 0 50 CCAA Nc1ncnc2n[nH]c(I)c12 5814210 HQAIUXZORKJOJY-UHFFFAOYSA-N 261.026 0.540 0 50 CCAA in-vitro CN(C)C[C@](C)(O)CN[C@@H]1CCN2CCC[C@H]2C1 253393930 NYPLLELCFRUTBY-HZSPNIEDSA-N 255.406 0.515 0 50 CCAA Cc1noc(C)c1CCC(=O)N1CCC([C@H](O)CO)CC1 1772711684 CULTUOIIFBMVAE-CQSZACIVSA-N 296.367 0.816 0 50 CCAA Cc1nsnc1C(=O)N1CCC([C@H](O)CO)CC1 1772712548 UMDLGQIBUPAXJG-SECBINFHSA-N 271.342 0.052 0 50 CCAA CN(C[C@H]1CCC(=O)N(C)C1)CC1(CO)CCC1 1775983378 LJLVXNBGOMNQLD-GFCCVEGCSA-N 254.374 0.949 0 50 CCAA N[C@@H]1C2CN3CCN(C2)CC1(Cc1ccccc1)C3 19370254 IKQFRJIKVNYDKF-HWOWSKLDSA-N 257.381 0.804 0 50 CCAA biogenic COc1ccc(COC2=CNC(C(=O)O)=C[C@@H]2O)cc1 169748331 JZRUEZHLKZUQCY-LBPRGKRZSA-N 277.276 0.986 0 50 CCAA COc1ncccc1CCNC(=O)[C@H]1CC[C@@H](O)[C@H](N)C1 1857741348 ONJZWQWZPXEXIW-YNEHKIRRSA-N 293.367 0.237 0 50 CCAA CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1C[C@@H](O)CN1 226828531 LHCBSTUXTFXFJA-IJLUTSLNSA-N 292.335 0.008 0 50 CCAA CCNC(=O)N1CCN(C(=O)CCc2nccs2)CC1 264571628 DCRZQAXYZKACGY-UHFFFAOYSA-N 296.396 0.949 0 50 CCAA COCc1noc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)n1 1565529853 QDQALHJKWAKQNF-SFYZADRCSA-N 283.284 0.333 0 50 CCAA CN(C)S(=O)(=O)CCN1CCC(c2ncco2)CC1 931443874 GXAMPEYAYPKUAV-UHFFFAOYSA-N 287.385 0.745 0 50 CCAA Cc1nnsc1C(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 1262627355 PEQGZVVRYKPNCC-AXTSPUMRSA-N 263.322 0.872 0 50 CCAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccco1 225713543 ZUDXEKSVPTUSMF-ZNSHCXBVSA-N 265.265 0.774 0 50 CCAA COC[C@@]1(CNc2ccnc(N(C)C)n2)CCCN1 261587521 JNHSUFNSVQZWOK-ZDUSSCGKSA-N 265.361 0.723 0 50 CCAA Cc1nc([C@H]2CCCN(Cc3nnn(C)n3)C2)n[nH]1 278597951 LPDSBBORVCVNFQ-VIFPVBQESA-N 262.321 0.016 0 50 CCAA CS(=O)(=O)N1CCN(C[C@@H]2CC=CCC2)CC1 49573757 BHIAJEOAWYMVLY-GFCCVEGCSA-N 258.387 0.920 0 50 CCAA CN(CCN1CCCCCC1)C(=O)[C@H]1C=CCN1 534587458 NJXUWYDDBBUIDS-CYBMUJFWSA-N 251.374 0.849 0 50 CCAA CN(C)c1nc(CNC(=O)[C@H]2C=CCN2)cs1 534631084 HFWQDHDZEXKZJF-SECBINFHSA-N 252.343 0.353 0 50 CCAA CCc1noc(C)c1C(=O)N[C@H]1CCOC[C@@H]1O 629221581 OPMWFXGHBDRGNO-UWVGGRQHSA-N 254.286 0.425 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)[C@H]1CCOC1 643849218 WPEPYGUPJMFWFP-JOYOIKCWSA-N 257.286 0.115 0 50 CCAA CC[C@H]1CN(Cc2nnc3n2CCCC3)C[C@H]1O 378329584 OHDWAAUGSQTIGD-WDEREUQCSA-N 250.346 0.817 0 50 CCAA CCn1nccc1CN1CCC[C@@]1(COC)C(=O)O 692337857 WBCNEFWEOLAIKJ-CYBMUJFWSA-N 267.329 0.969 0 50 CCAA Cn1cc(C(=O)N[C@@H](CC(=O)O)C(F)(F)F)cn1 829368726 CVMQXYCASHRZFY-LURJTMIESA-N 265.191 0.556 0 50 CCAA COc1nc(C(=O)N2CC[C@@H](n3ccnc3)C2)nn1C 2356150842 BVIGKHWNDSNNRY-SECBINFHSA-N 276.300 0.107 0 50 CCAA Cc1nc2ccnn2c(N[C@H]2CCO[C@H](CO)[C@H]2O)c1C 2356155255 DLYURYVINUSSGT-LOWVWBTDSA-N 292.339 0.269 0 50 CCAA O=C(NCCCn1ccnc1)[C@@H]1CC(=O)N(C2CC2)C1 55531002 ODPDXPTWEVXHHC-LLVKDONJSA-N 276.340 0.400 0 50 CCAA O=C(O)CCNC(=O)CCC(=O)NC1CCCC1 55270246 MEWBOYZVDOYMOV-UHFFFAOYSA-N 256.302 0.416 0 50 CCAA O=C(c1cscn1)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076084106 ZMBIBJCGYWBFHY-MNOVXSKESA-N 291.336 0.721 0 50 CCAA O=C(O)[C@@H]1C[C@@H]1C(=O)N(C[C@H]1CCOC1)C1CC1 251289748 NOLCIKYRMMOTAE-DVVUODLYSA-N 253.298 0.735 0 50 CCAA C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)[C@H](C)CN 429350994 DYINZFBJDRBNFZ-NXEZZACHSA-N 255.362 0.487 0 50 CCAA O=C(NC1CC1)[C@@H]1CN(c2ccncc2F)CCN1 72167890 NDSYTHJATWHNOA-NSHDSACASA-N 264.304 0.278 0 50 CCAA O=C(O)c1cccnc1NCCCN1CCOCC1 36962705 WLHNRLZKXHAVKH-UHFFFAOYSA-N 265.313 0.914 0 50 CCAA COCCN1CC[C@H](NC(=O)Cc2ccoc2)C1 331045260 FOSAWEJAIRYRTE-LBPRGKRZSA-N 252.314 0.659 0 50 CCAA COC[C@@H]1CN(c2ccc(C(N)=O)nn2)CC(C)(C)O1 285143112 SQRMFKHGJBQNJA-VIFPVBQESA-N 280.328 0.206 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N1CCN(C)c2ccccc2C1 262240218 KWENQWNAGLFBNN-DOMZBBRYSA-N 289.379 0.842 0 50 CCAA COc1ccc2nc(C)c(C(=O)NC[C@@H](O)C3CC3)n2n1 242284605 YIBIQAHDRULJQY-SNVBAGLBSA-N 290.323 0.547 0 50 CCAA CN(CCc1ncon1)C(=O)C[C@H]1CCCOC1 426597379 JGGXCXWOCOSCPF-SNVBAGLBSA-N 253.302 0.887 0 50 CCAA CN(C)c1ccc(CCC(=O)N(C)[C@H]2COC[C@@H]2O)cc1 223482198 BNVLEQQEBJCZAF-GJZGRUSLSA-N 292.379 0.903 0 50 CCAA CCO[C@H](C)CN(C)C(=O)NCCc1nncn1C 426581270 OLNPLTDVKVNCPI-SNVBAGLBSA-N 269.349 0.424 0 50 CCAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1ccc(C(N)=O)nc1 237439648 HUPVYUANLVICGH-CABZTGNLSA-N 276.340 0.522 0 50 CCAA N=c1nc2c(c[nH]1)CN(C(=O)c1cncnc1C1CC1)CC2 622550500 NYKSJLZFOQXOCF-UHFFFAOYSA-N 296.334 0.755 0 50 CCAA C[C@@H](c1n[nH]c(=O)[nH]1)N1CC2(CCNCC2)CCC1=O 92066876 PARUQGMDILRZQT-VIFPVBQESA-N 279.344 0.151 0 50 CCAA Cc1cc(C)n2nc(C(=O)NC34CCN(CC3)C4)nc2n1 863981590 IKNJQUQMGDBGHR-UHFFFAOYSA-N 286.339 0.319 0 50 CCAA CCOC(=O)N1CCC(NCc2nnc(N)s2)CC1 534658948 MQJLPMYSFWAOTC-UHFFFAOYSA-N 285.373 0.831 0 50 CCAA O=C(NCC1=CCCCC1)NCc1nc(O)n[nH]1 534585987 AQEXGINRMPKSRD-UHFFFAOYSA-N 251.290 0.810 0 50 CCAA COCc1ccc(C(=O)NCCn2cncn2)s1 534645484 WDQCRKITZJDODB-UHFFFAOYSA-N 266.326 0.916 0 50 CCAA CC(C)(C)OC(=O)N1CC(S(=O)(=O)CCO)C1 263622728 AIYSARHJAXEYGZ-UHFFFAOYSA-N 265.331 0.013 0 50 CCAA NC[C@H]1CCN(C(=O)CN2Cc3ccccc3C2)C1 534661407 RZDYMMRYNLSDKM-GFCCVEGCSA-N 259.353 0.809 0 50 CCAA CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2)[C@@H](c2ccccc2)C1 299785799 NXIYYHUGJHDJRO-QLFBSQMISA-N 289.379 0.225 0 50 CCAA COCCN1C[C@H](CN(C)Cc2cc[nH]n2)CC1=O 299774381 CJYKKUJGBQDFMV-NSHDSACASA-N 266.345 0.336 0 50 CCAA Cc1nc([C@@H](C)NC(=O)Cc2sc(N)nc2C)n[nH]1 827861541 LSMVBGBDLULBKM-ZCFIWIBFSA-N 280.357 0.880 0 50 CCAA CN1CCCC[C@H]1CCNS(=O)(=O)N1CCCC1 823777637 MLPHXHCWGLFKPA-LBPRGKRZSA-N 275.418 0.791 0 50 CCAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)CCn1cnnn1 584894817 QWLRBLFCMJYDGR-ZETCQYMHSA-N 263.305 0.281 0 50 CCAA Cc1nn(CC(=O)NCC[C@@]2(C)CC2(F)F)c(=O)o1 630085901 VCTSOWVSSGMTPG-JTQLQIEISA-N 275.255 0.696 0 50 CCAA CCOc1cccc(CC(=O)N[C@H]2C[C@@H](CO)C2)n1 869872153 UPZUDNSGOZIICY-KLPPZKSPSA-N 264.325 0.910 0 50 CCAA COCC1(CC(=O)N[C@@H]2Cc3cccnc3NC2=O)CC1 952884114 YBPATGIWCPQCFQ-LLVKDONJSA-N 289.335 0.878 0 50 CCAA O=C(CN1CCC[C@@H]1c1nccc(O)n1)NCC1CC1 1875274943 DFWSSYHKPZDUBC-LLVKDONJSA-N 276.340 0.845 0 50 CCAA C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2cc(O)n[nH]2)C1 1875392711 PLYFFPNRGPJAPF-SSDOTTSWSA-N 261.285 0.673 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@@H]1CCc2c[nH]nc2C1 1875377015 PUDFTNFBVPUBNV-PGLGOXFNSA-N 262.357 0.749 0 50 CCAA CC(=O)N[C@@H](C)CC(=O)N(CCO)Cc1cccs1 952980782 QJMYTZOXACUYDX-JTQLQIEISA-N 284.381 0.984 0 50 CCAA C[C@H](NCC(C)(C)N1CCOCC1)c1nncn1C 952966581 KLJYAIQGMBDAQS-NSHDSACASA-N 267.377 0.577 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)NCc2nccn2C)C1=O 886074685 NZJCLOFCSCGCRH-LLVKDONJSA-N 294.355 0.064 0 50 CCAA CO[C@@H]1C[C@H](COc2cccnc2)N(S(C)(=O)=O)C1 1775959511 CSCUUXBCRALUDV-ZYHUDNBSSA-N 286.353 0.509 0 50 CCAA CC[C@H](NC(=O)[C@H]1C[C@H](O)CN1)c1nc(C)cs1 277338152 AWILFDNPMORQEZ-LPEHRKFASA-N 269.370 0.742 0 50 CCAA COC[C@@H]1CN(Cc2cnnn2C)CC(C)(C)O1 408032060 ZHEKMVHTJODUHS-NSHDSACASA-N 254.334 0.441 0 50 CCAA Cc1ccc(=O)n(Cc2nnnn2-c2ccccc2)n1 225537991 GLEWUBVPUDYBCQ-UHFFFAOYSA-N 268.280 0.576 0 50 CCAA CCn1c(C(=O)N[C@H](CO)C(=O)NC)cc2ccccc21 225604200 IMRUMQXQNQORNY-LLVKDONJSA-N 289.335 0.498 0 50 CCAA CC(=O)NC1CN(S(=O)(=O)c2sc(C)nc2C)C1 188558411 VRAGYNBQBKVRNF-UHFFFAOYSA-N 289.382 0.269 0 50 CCAA Cc1nnc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)s1 573868214 XEKJXVLFAPLSOA-PSASIEDQSA-N 280.353 0.634 0 50 CCAA O=C(O)c1csc(NC(=O)[C@@H]2COCCO2)c1 575937862 CCTKOEUHIHYXFS-ZETCQYMHSA-N 257.267 0.800 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2ncoc2C)C[C@@H]1O 1857737400 KSFGCAGOULMOSG-SMDDNHRTSA-N 282.340 0.969 0 50 CCAA COc1c(F)cccc1CN1C[C@H]2COC[C@@H](C1)C(=O)N2 1704315643 NWTRNVJYRCQCCL-NEPJUHHUSA-N 294.326 0.781 0 50 CCAA c1nncn1C1CCN(CC[C@H]2COCCO2)CC1 1800414345 NYXDWXPVOMTBGG-ZDUSSCGKSA-N 266.345 0.721 0 50 CCAA CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1=O 15446219 CWRFSVAKVCSOPI-QMMMGPOBSA-N 257.286 0.986 0 50 CCAA in-vitro O=C(OC1CC1)N1CCC[C@@H](N2CCNC2=O)C1 1616034510 MXMPDPUTKGDVLI-SECBINFHSA-N 253.302 0.775 0 50 CCAA C[C@H](O)[C@H](O)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O 1616033657 RZGMDEAGCUFMSS-NVBFEUDRSA-N 277.320 0.445 0 50 CCAA CCS(=O)(=O)CCNc1ncc(F)c(OC)n1 1772703245 HMFLVKLCXVUHQN-UHFFFAOYSA-N 263.294 0.471 0 50 CCAA Cc1nnc([C@H](NC(=O)c2ccc(Cl)cc2)C(N)=O)o1 1775976127 OYMUPGBUCUEWIM-SECBINFHSA-N 294.698 0.988 0 50 CCAA CCNS(=O)(=O)c1cc(C(=O)NC)ccc1OC 12651000 WQLGWNAHVHEXBB-UHFFFAOYSA-N 272.326 0.353 0 50 CCAA CC(C)CCN1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 14741925 AWQAELAGGBXCEC-NEPJUHHUSA-N 297.424 0.460 0 50 CCAA COC(=O)[C@@H]1CNCC[C@H]1NC(=O)OC(C)(C)C 202001273 JZMRLHYTQICGLN-RKDXNWHRSA-N 258.318 0.662 0 50 CCAA NC[C@@H](C(=O)Nc1ccn([C@@H]2CCNC2)n1)c1ccccc1 328617703 DACIBSUPVXHXLT-ZIAGYGMSSA-N 299.378 1.099 0 50 CCAA Cn1cc(CCC(=O)N[C@H]2CCC(=O)NC2(C)C)cn1 338516840 HZTCAMPBRUHMDM-NSHDSACASA-N 278.356 0.526 0 50 CCAA NS(=O)(=O)CCN1CC[C@@H](O)[C@H](C2CCCC2)C1 930706664 WILOOJMYHRVCOF-NWDGAFQWSA-N 276.402 0.148 0 50 CCAA CC(C)(C)OC(=O)NCc1nc2ncc(C(=O)O)cn2n1 1857781093 KTXRYDSRFIHMMA-UHFFFAOYSA-N 293.283 0.847 0 50 CCAA C[C@](O)(CNC(=O)[C@H]1CCc2ccccc2C1)C(=O)O 223389931 PNNVVXHLKJMNNF-WFASDCNBSA-N 277.320 0.743 0 50 CCAA CC(C)C[C@H](CC(=O)O)NC(=O)c1cnc(O)cn1 223418862 IHRRRONQCMVQSG-MRVPVSSYSA-N 267.285 0.801 0 50 CCAA Cc1cc(C(=O)N(C2CC2)[C@H](C)C(=O)O)nn1C 262588338 HEISZWKQQOUWSP-MRVPVSSYSA-N 251.286 0.806 0 50 CCAA NC(=O)[C@]1(O)CCCN(C(=O)Cc2cccc(F)c2)C1 285373640 FMIFLVLMMAJAPK-AWEZNQCLSA-N 280.299 0.207 0 50 CCAA Cc1ccc(C(=O)O)c(NC[C@H]2CN(C)CCN2C)n1 68810391 GNJQWYVTKVLXLY-NSHDSACASA-N 278.356 0.746 0 50 CCAA Cc1nc([C@H]2CCCCN2Cc2nnnn2C)n[nH]1 407983729 SAVQNRZLWYQFCC-SECBINFHSA-N 262.321 0.364 0 50 CCAA Cn1cc(Br)c(C(=O)N[C@@H]2[C@H]3COC[C@H]32)n1 329081731 RZJOLFDPYFRNMK-BDINMYNLSA-N 286.129 0.557 0 50 CCAA COC(=O)c1cn(C[C@H](O)c2ccccc2F)nn1 685943664 JRDXWESTBUQUGH-NSHDSACASA-N 265.244 0.937 0 50 CCAA CCOC(=O)C(=O)Nc1cccc(OC)c1C(N)=O 3643676 GGLRYZACPLNCKB-UHFFFAOYSA-N 266.253 0.296 0 50 CCAA CN1CCc2ccc(C(=O)NCc3cc(O)ncn3)nc21 2100543180 OCBZQIQWFLPGML-UHFFFAOYSA-N 285.307 0.500 0 50 CCAA C[C@@H]1C[C@@H]2CN(c3ccnc4c3CNC4=O)CCN2C1 2325891349 BBWQREMEKZSVER-GHMZBOCLSA-N 272.352 0.855 0 50 CCAA CCCN1CCC(N2CCN(S(C)(=O)=O)CC2)CC1 268253 XPVKQIBBTKSHJA-UHFFFAOYSA-N 289.445 0.438 0 50 CCAA CS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1 479248 XPXVAWSYUDXKMK-UHFFFAOYSA-N 297.380 0.369 0 50 CCAA COc1ccc(S(=O)(=O)NCCCN(C)C)cc1 2903091 YZBBSSZXGACKRA-UHFFFAOYSA-N 272.370 0.925 0 50 CCAA CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1O 4038047 VVSWDMJYIDBTMV-KJKVDNPUSA-N 282.292 0.194 0 50 CCAA biogenic,in-vitro COc1ccc(CN2C(=O)N[C@H](CCC(=O)O)C2=O)cc1 25108589 RYXFIOOGKNWBIR-LLVKDONJSA-N 292.291 0.980 0 50 CCAA Nc1nc(N2CCN(Cc3ccccc3)CC2)n[nH]1 52530543 VWKYWZGILRQBCP-UHFFFAOYSA-N 258.329 0.709 0 50 CCAA Cc1nc(S)sc1CC(=O)N1CC[C@H](O)C1 119735193 ZZKDMNONFUOOTK-ZETCQYMHSA-N 258.368 0.876 0 50 CCAA Cc1cnn(CCNC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c1 229514719 VXPVSZPXTQKVFL-KKUMJFAQSA-N 296.415 0.251 0 50 CCAA Cc1nc(CN(C)[C@@H]2CCN([C@@H]3C[C@@H](C)OC3=O)C2)no1 229824073 VOWVEGHVLYNRFC-YUSALJHKSA-N 294.355 0.588 0 50 CCAA C[C@@H](C(=O)N(C)C)N(C)CC(C)(C)N1CCOCC1 67513496 FBHHTMUXCPAFJR-LBPRGKRZSA-N 271.405 0.506 0 50 CCAA CCc1ncc(C(=O)N2CCOC[C@@H]2C(=O)O)s1 521364101 CFRWVZGCHUYMMZ-SSDOTTSWSA-N 270.310 0.631 0 50 CCAA CN1CC[C@H](n2cnc3cc(F)ccc3c2=O)C1=O 32513813 MOTNNMQCZQKVPR-NSHDSACASA-N 261.256 0.939 0 50 CCAA Cc1cc(C)cc([C@H](O)CNC(=O)CN2CCOCC2)c1 283015850 GNZLVTJGARXHEB-OAHLLOKOSA-N 292.379 0.785 0 50 CCAA Cc1nonc1C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 253180280 DBDCZIRMICENLK-MRVPVSSYSA-N 271.273 0.898 0 50 CCAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)NC(N)=O 360707326 JGISBCCUALYWKI-UWVGGRQHSA-N 279.344 0.747 0 50 CCAA CN(C[C@@H]1CCCN1C)C(=O)N[C@H]1CC[C@H](CN)C1 333229535 BRWSGHOEUACFSX-AVGNSLFASA-N 268.405 0.849 0 50 CCAA NC[C@@H]1CCCC[C@H]1NCCN1C[C@@H]2CC[C@H](C1)O2 333306977 RBIREYAPTAQRKH-BYNSBNAKSA-N 267.417 0.957 0 50 CCAA C[C@@]1(C(=O)N2CCC[C@H](CC(N)=O)C2)CCNC1 237484251 IVOHTUDAOQEKLP-ZWNOBZJWSA-N 253.346 0.100 0 50 CCAA O=C(NCc1cccc2c1CCCN2)[C@H]1C[C@H](O)CN1 367996117 DWLAPYCBUQFQPJ-SMDDNHRTSA-N 275.352 0.384 0 50 CCAA COCC(COC)N1C(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C1=O 333926145 VESVPYAVADJUBJ-DLOVCJGASA-N 282.340 0.711 0 50 CCAA COCNC(=O)c1nc(Br)cnc1N 217823936 JGVCSFYFKISQDZ-UHFFFAOYSA-N 261.079 0.155 0 50 CCAA CC[C@H](NC(=O)c1c[nH]c(=O)[nH]1)c1nc(C)no1 219278642 UTYFMIDVXZBVCL-LURJTMIESA-N 251.246 0.276 0 50 CCAA C[C@H](CNC(=O)c1cccn1C)N1CCOC[C@H]1C 241466111 NUXNNAFHIXEONQ-VXGBXAGGSA-N 265.357 0.864 0 50 CCAA C[C@H]1CC(=O)NCCN1CC(=O)N(C)CC(F)(F)F 378325824 IDDVAXYTQOQYOB-QMMMGPOBSA-N 281.278 0.218 0 50 CCAA O=C(Cc1noc2ccccc12)N1CCOC[C@H](CO)C1 77321898 RHNYHZSQONDUIT-NSHDSACASA-N 290.319 0.838 0 50 CCAA CC[C@@H]1[C@H](NC(=O)C2=NNC(=O)CC2)[C@@H]2CCO[C@@H]21 222532431 GOAVJTKOFGYSPV-UFGYURQFSA-N 265.313 0.182 0 50 CCAA COCCc1noc(CNC(=O)c2ncccc2C)n1 223411346 CGTRHEQHJPPPKC-UHFFFAOYSA-N 276.296 0.892 0 50 CCAA Cc1cc(CC(=O)NCCSc2cnn[nH]2)on1 222556715 RSIWJOBJFGPNOS-UHFFFAOYSA-N 267.314 0.552 0 50 CCAA COCCc1noc(CNC(=O)[C@]2(C)CCCO2)n1 426413079 ZSYOZSNBXFSZBB-LBPRGKRZSA-N 269.301 0.444 0 50 CCAA O=c1ccccn1Cc1nc(-c2cccnn2)no1 95519677 CKZSGAOBBBQHCK-UHFFFAOYSA-N 255.237 0.737 0 50 CCAA NC(=O)c1noc(Cn2sc3ccccc3c2=O)n1 95380056 AQDUJFRPYKXOGN-UHFFFAOYSA-N 276.277 0.593 0 50 CCAA COC(=O)[C@H]1O[C@H](c2ccccc2)O[C@H]1C(=O)OC 239302624 FMSYNRGOFIGJMM-DDFAGTSDSA-N 266.249 0.815 0 50 CCAA COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239235713 WNYOLNYKQKTZMM-AVXXSMEWSA-N 261.277 0.213 0 50 CCAA Cc1c(C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)cnn1C 343196986 ABBJNDKALFVQPG-LLVKDONJSA-N 299.396 0.625 0 50 CCAA O=C(Cn1cnnn1)NOCc1ccc(F)cc1 184216802 PSIDRIRZMFWDFY-UHFFFAOYSA-N 251.221 0.060 0 50 CCAA CNC(=O)CC(=O)N1CCO[C@H](c2cccc(OC)c2)C1 184883616 SJOWVJKYXJESQQ-ZDUSSCGKSA-N 292.335 0.731 0 50 CCAA CN(C)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 526062142 SAVYPYVKXWCVCE-UUTMEEIUSA-N 250.298 0.106 0 50 CCAA Cc1cccc([C@@H](C)NS(=O)(=O)N2CCN(C)CC2)n1 534634867 WGBKOCXHYMKUDA-GFCCVEGCSA-N 298.412 0.533 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)C1 630255184 GXIJFRPXMFHTLU-MMROJZCPSA-N 285.340 0.748 0 50 CCAA CN1Cc2ccccc2C[C@H]1CNS(=O)(=O)N(C)C 823806217 DHMRMQFTJXXRGA-ZDUSSCGKSA-N 283.397 0.439 0 50 CCAA CCc1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1CC 585136870 WPCGOCBMEVEVSN-UHFFFAOYSA-N 295.368 1.136 0 50 CCAA Cc1nonc1CNC(=O)[C@H](C)N1CCCCC1 584892430 ZEOJJRBXDWXCTG-JTQLQIEISA-N 252.318 0.869 0 50 CCAA CCCn1cc(C(=O)N[C@H](C)c2nc(N)n[nH]2)c(C)n1 584891961 POFFGJUBBOFVGK-MRVPVSSYSA-N 277.332 0.793 0 50 CCAA COc1nc(NCCN2CCC[C@H](CO)C2)ncc1F 670471708 QGTKSVXVVNTVGK-JTQLQIEISA-N 284.335 0.741 0 50 CCAA OCC1(CO)CCN(c2[nH]cnc3nc(Cl)cc2-3)C1 865947212 VZDWPIZCEVBVMO-UHFFFAOYSA-N 282.731 0.744 0 50 CCAA Cc1ncn(C)c1C(=O)NCCCN1CCCC[C@H]1CO 670451177 QFFXWQZLYVRZJT-ZDUSSCGKSA-N 294.399 0.695 0 50 CCAA CN(c1ccccn1)S(=O)(=O)C[C@H]1COCCO1 1875288617 PCLAFCMMLJUESF-SNVBAGLBSA-N 272.326 0.263 0 50 CCAA CC(C)COCC(=O)N1CCC[C@@H](C)S1(=O)=O 1875319433 CBTPWLIQPWKDLC-SNVBAGLBSA-N 263.359 1.000 0 50 CCAA COC(=O)/C=C/CCNC(=O)c1ccc(CNC(C)=O)o1 1875311560 FETIDJPZPYRRSX-HWKANZROSA-N 294.307 0.765 0 50 CCAA CN(Cc1ccccc1F)Cc1nnc2n1CCNC2=O 952880836 DDFIYBGBFCCWBO-UHFFFAOYSA-N 289.314 0.793 0 50 CCAA COc1cccc([C@H](CN2C(=O)NC[C@H](O)C2=O)OC)c1 1875278803 HLCGWVFDLAWMDB-RYUDHWBXSA-N 294.307 0.295 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cn(C(C)(C)C)nn1 1875273164 CGEFHKUFMFHHEI-AATRIKPKSA-N 266.301 0.492 0 50 CCAA COC(=O)CC[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC1=O 952860420 PPDGRTCNYASASF-RYUDHWBXSA-N 296.367 0.893 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N2CCCCCO2)C1=O 888076319 ZMQWOZCDZCZQNR-GFCCVEGCSA-N 284.356 0.958 0 50 CCAA COCC[C@H](C)CNC(=O)N(C[C@@H](C)O)[C@@H](C)CO 1365647364 QCHIQVUGIGMALW-SDDRHHMPSA-N 276.377 0.432 0 50 CCAA CN(CCCO)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 585090660 LCELWRZGVHUOPZ-CQSZACIVSA-N 288.388 0.673 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(CC2=CCCOC2)C1 643755385 SREGBROLVSLYKR-OAHLLOKOSA-N 282.384 0.638 0 50 CCAA O=C(N[C@@H]1CNCCC1(F)F)c1cnn2cccnc12 575122246 DFKMNKJEGDSPMS-SECBINFHSA-N 281.266 0.456 0 50 CCAA CCC[C@]1(CO)CCN(c2nccnc2OC)C[C@H]1O 1875243734 UVCQQNZHLBMFNQ-BXUZGUMPSA-N 281.356 0.835 0 50 CCAA CC[C@H](CO)N1CCN(C(=O)c2cc(C)no2)CC1 305716030 UHRANGBKRDYQJS-LLVKDONJSA-N 267.329 0.512 0 50 CCAA CCOc1cc(N2CCCN(C(C)=O)CC2)ncn1 120909678 BBSQNCDSNDTGRU-UHFFFAOYSA-N 264.329 0.934 0 50 CCAA CCc1ncc(S(=O)(=O)N2CC(N(C)C)C2)s1 329637606 YRJKNGLPVPBCST-UHFFFAOYSA-N 275.399 0.640 0 50 CCAA C[C@H]1CC(C(=O)O)C[C@H](C)N1C(=O)c1cnn(C)n1 1875277755 CLVSWIZYKFWWMZ-YUMQZZPRSA-N 266.301 0.529 0 50 CCAA CCn1cc(CNC(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)cn1 1704325758 MWXIKKJGYLGQHW-FRRDWIJNSA-N 281.356 0.695 0 50 CCAA CCOCCCC(=O)N1CCC[C@@H](NC(=O)NC)C1 1616038206 XWRRPSCVNIBIPA-LLVKDONJSA-N 271.361 0.723 0 50 CCAA CC(C)C[C@H](O)C(=O)N(CCO)Cc1ncc[nH]1 1704310031 NXFBRNDQDNKDII-JTQLQIEISA-N 255.318 0.138 0 50 CCAA CCc1cc(N2CC(n3cc(CO)nn3)C2)nc(CC)n1 1615615391 QFXGNXACTDZBBE-UHFFFAOYSA-N 288.355 0.747 0 50 CCAA O=C(c1ccc2nc[nH]c2c1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772710866 WZROLYMKWDEXGV-PHIMTYICSA-N 287.319 0.236 0 50 CCAA CN1C(=O)NCC12CN(Cc1nc(C(F)(F)F)no1)C2 1857681291 HQJVLELYUJIGBY-UHFFFAOYSA-N 291.233 0.298 0 50 CCAA CN(CCc1cnn(C)c1)C(=O)c1nc(Cl)n(C)n1 1857687910 LGBFTSRKIAZVPV-UHFFFAOYSA-N 282.735 0.517 0 50 CCAA NC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19933418 KBLHTYPHIMAJCW-UHFFFAOYSA-N 263.297 0.612 0 50 CCAA CN(CCN(C)C1CC1)C(=O)c1cnc2cccnn12 328598322 LHRZYTVHOPFXHM-UHFFFAOYSA-N 273.340 0.896 0 50 CCAA O=C1C[C@@H](C(=O)NCc2ccc(C(=O)O)cc2)CN1 123003497 WBGSFLQXLBCNAV-SNVBAGLBSA-N 262.265 0.137 0 50 CCAA Cc1ccncc1C(=O)N1CCO[C@H](Cn2ccnn2)C1 636218723 VZWAQCNJFXENRI-LBPRGKRZSA-N 287.323 0.523 0 50 CCAA CCc1c(C(=O)N2CCC[C@](O)(CC(N)=O)C2)ccn1C 643997301 DGASBKDWUGAACQ-HNNXBMFYSA-N 293.367 0.430 0 50 CCAA Cn1cnc2cc(C(=O)N3CC[C@](C)(O)[C@H](O)C3)ccc21 248021129 HYGYRAYCOXARNW-HIFRSBDPSA-N 289.335 0.531 0 50 CCAA Cc1c[nH]nc1CN1CC[C@H](N=c2ccc3nccn3[nH]2)C1 365664857 ROPWFMQKUCUAJB-LBPRGKRZSA-N 297.366 0.869 0 50 CCAA Cc1nn(Cc2ccc3nsnc3c2)c(=O)n1C 1875275445 VOYJKNLSJGDQPS-UHFFFAOYSA-N 261.310 0.943 0 50 CCAA Cc1cc(N2CCC(F)(F)[C@@H](CO)C2)n2ncnc2n1 403868385 SDYFNGJSUFBWNB-SECBINFHSA-N 283.282 0.887 0 50 CCAA O=S1(=O)CCC(CN[C@H]2CCNC23CCC3)CC1 903471329 IPOPUFHAVJXFTQ-LBPRGKRZSA-N 272.414 0.685 0 50 CCAA CN(Cc1nnc(O)o1)C(=O)c1c(C2CC2)cnn1C 2325780045 COCQZMWOSJZMAP-UHFFFAOYSA-N 277.284 0.658 0 50 CCAA O=C(c1nccc2c1CNCC2)N1CCc2ncncc2C1 2325787766 VRMTUZHRAURTDB-UHFFFAOYSA-N 295.346 0.716 0 50 CCAA Cc1ccnc(NC(=O)CSc2nc(N)cc(=O)[nH]2)c1 467891 OVLKJHYMKBMHCL-UHFFFAOYSA-N 291.336 0.786 0 50 CCAA O=C1CN(c2ccccc2)C(=O)[C@H]1C(=O)N1CCOCC1 1065155 IRBKMWKLJCUWIX-CYBMUJFWSA-N 288.303 0.077 0 50 CCAA NS(=O)(=O)c1cc(C(=O)O)c(O)cc1Cl 1081540 FHNZKRYMWHCXME-UHFFFAOYSA-N 251.647 0.391 0 50 CCAA in-vitro O=C(CCc1nc(O)n[nH]1)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2356143932 ZNUVTPIVFVOHAT-OWUUHHOZSA-N 280.328 0.205 0 50 CCAA O=S1(=O)CC[C@@H](S(=O)(=O)NCc2ccccc2)C1 3995904 GMCFFZYHAXAPGE-LLVKDONJSA-N 289.378 0.293 0 50 CCAA O=S(=O)(c1ccc2c(c1)OCO2)N1CCOCC1 6697583 XUTYBHQBRHFSNX-UHFFFAOYSA-N 271.294 0.436 0 50 CCAA COc1cccc(N2Cc3nn(C)c(=O)n3C2=O)c1 65365864 GFRCATRMKMHZBQ-UHFFFAOYSA-N 260.253 0.579 0 50 CCAA CNc1ccnc(N2C[C@@H]3CCC[C@H](C2)C(=O)N3C)n1 1506414015 MRVIMGQIKWIHKS-MNOVXSKESA-N 275.356 0.965 0 50 CCAA CCN1C[C@@H](CN(C)C(=O)Cc2c(C)n[nH]c2C)CC1=O 1506406755 GAJVAATZCGARER-GFCCVEGCSA-N 292.383 0.896 0 50 CCAA C[C@@H]1C[C@@H](S(=O)(=O)N2CCOC(C)(C)C2)CCO1 253429498 NJHMKIHUUHZNMV-MNOVXSKESA-N 277.386 0.995 0 50 CCAA CC[C@@H](NC(=O)Cc1cnc[nH]c1=O)c1ccncc1 214984337 LQKGAMQOCAUTMO-GFCCVEGCSA-N 272.308 0.975 0 50 CCAA Cc1nc(CN(C)[C@@H]2CCN([C@H]3C[C@H](C)OC3=O)C2)no1 257366386 VOWVEGHVLYNRFC-WCQGTBRESA-N 294.355 0.588 0 50 CCAA O[C@@]1(c2c[nH]nn2)CCN(CCc2cccnc2)C1 284523501 DSMKTTFVEDQCOB-ZDUSSCGKSA-N 259.313 0.336 0 50 CCAA CO[C@]1(C)C[C@@H](NC(=O)[C@@H]2CNCCO2)C1(C)C 237268119 XSEINEUWZIVTDN-OPQQBVKSSA-N 256.346 0.295 0 50 CCAA CCCc1n[nH]cc1C(=O)N1CCC[C@](O)(CO)C1 72148588 OYZRXLKACSXJAF-CYBMUJFWSA-N 267.329 0.322 0 50 CCAA C[C@H]1OCCN(Cc2ccc(CO)cc2)[C@@H]1C(N)=O 285178610 MPICLPIRDGZNNQ-MFKMUULPSA-N 264.325 0.254 0 50 CCAA C[C@H](Cc1cnccn1)N(C)C(=O)CN1CCOC1=O 223840399 RKRSRRFWNUZCJR-SNVBAGLBSA-N 278.312 0.318 0 50 CCAA Cc1ccn2c(C(=O)NCCCn3ccnc3)nnc2n1 426504654 VJHZUEXFXSBAKP-UHFFFAOYSA-N 285.311 0.449 0 50 CCAA COc1ccccc1[C@@H]1CN(CC(N)=O)C[C@H]1C(=O)O 91620937 ZWSFCCCVBWKDCT-WDEREUQCSA-N 278.308 0.281 0 50 CCAA O=C([C@@H]1CCOC1)N1CCN(Cc2ccco2)CC1 97797540 RHFJEQRNNLZZGH-GFCCVEGCSA-N 264.325 0.960 0 50 CCAA COCc1cc(NCCCN2CCOCC2)ncn1 91974270 HXDGSAVEQHUKTM-UHFFFAOYSA-N 266.345 0.757 0 50 CCAA O=C(NC[C@H]1CCCN1)c1ccccc1-n1cnnc1 97217537 YEWRFJVSAZTMQJ-LLVKDONJSA-N 271.324 0.749 0 50 CCAA Nc1ncc(C(=O)O)nc1I 95743235 OWZJMNMTLFBLQL-UHFFFAOYSA-N 265.010 0.362 0 50 CCAA O=C(Cn1c(O)nc2ccccc2c1=O)Nc1ncc[nH]1 524732642 GHVMEBGOFMAOSG-UHFFFAOYSA-N 285.263 0.464 0 50 CCAA Cc1cc(C)nc(NC[C@H](O)CN2CCOCC2)n1 298274018 LXWILTWOHKBGTG-LBPRGKRZSA-N 266.345 0.198 0 50 CCAA CCc1cnccc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C 299745391 YPJUPQDTPBTCEB-OLZOCXBDSA-N 288.351 0.882 0 50 CCAA CC(C)C[C@@H](NS(=O)(=O)N(C)C)c1ncnn1C 534645937 IBPMXVIMLDBFLW-SECBINFHSA-N 275.378 0.298 0 50 CCAA CC(C)C[C@H](NC(=O)CN1CCCC1=O)c1ncnn1C 534574454 QDQVSYRZMJOUGW-NSHDSACASA-N 293.371 0.641 0 50 CCAA CCC1(NC(=O)CC[C@@H]2NC(=O)NC2=O)CCCC1 615684122 GEOLUVUYWGTDAA-VIFPVBQESA-N 267.329 0.814 0 50 CCAA COC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CN2)CCO1 269058962 IXVOLUSSDXRIOT-GJZGRUSLSA-N 290.363 0.575 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Cc1cc(C)no1 299786922 NZCUZYCLSPDZAB-STQMWFEESA-N 281.356 0.749 0 50 CCAA CCC[C@H](NC(=O)C(=O)N1CCCC1)c1nccn1C 299799158 QWCHZTUTSNSOHI-NSHDSACASA-N 278.356 1.000 0 50 CCAA COCC[C@H]1CN(C(=O)c2c(C)ncnc2C)CCO1 584888024 DWUCENBWSNWSKA-LBPRGKRZSA-N 279.340 0.971 0 50 CCAA O=C(NCCCN1CCCC[C@H]1CO)c1cncc(O)c1 584900079 MCGWPYZYAMONMB-ZDUSSCGKSA-N 293.367 0.754 0 50 CCAA Cc1cccc2ncn(CCN(C)S(C)(=O)=O)c(=O)c12 584893868 YBCMUSRSXHFDND-UHFFFAOYSA-N 295.364 0.596 0 50 CCAA NC(=O)c1cccnc1NCCCN1CCC[C@H](CO)C1 670449776 OBSWGONVQJFWAM-LBPRGKRZSA-N 292.383 0.687 0 50 CCAA CN1C[C@@]2(CCN(Cc3ccoc3)C2)OCC1=O 670464104 JFRAUKVKEVZDCR-CYBMUJFWSA-N 250.298 0.713 0 50 CCAA CN1C[C@@H]2CC[C@H](C1)N2c1ccc(S(C)(=O)=O)cn1 1548452862 HBXWHYNTUHVRPC-PHIMTYICSA-N 281.381 0.768 0 50 CCAA O=C(NC[C@]1(O)C[C@@H]2CC[C@H]1C2)c1cc(O)ncn1 1875281878 CCZJUPIFOXSLOU-VYUIOLGVSA-N 263.297 0.463 0 50 CCAA CNC(C)(C)CNC(=O)N1CCC2(CC1)COC2 1875285843 CDDNYYPQVPTVQV-UHFFFAOYSA-N 255.362 0.806 0 50 CCAA COC(=O)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 1875289373 MSLONQNQCNVRGL-ZIAGYGMSSA-N 276.336 0.856 0 50 CCAA O=C(O)[C@@H]1CCCN(C(=O)c2cc(O)nc(C3CC3)n2)C1 1875332671 DMYCHWYXOSPWDT-SECBINFHSA-N 291.307 0.996 0 50 CCAA O=C(C1OCCO1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 1875311667 JLPRLSAMCRVJEJ-SNVBAGLBSA-N 292.339 0.761 0 50 CCAA CSCC[C@H](NC(N)=O)C(=O)NOCC1(F)CCC1 1875312208 XFXOWGWKOXTUFD-QMMMGPOBSA-N 293.364 0.716 0 50 CCAA CCN1CCN(CC(=O)NC[C@@H]2CCCN2C(C)C)CC1 952975439 ZINCFIIXIXILDY-HNNXBMFYSA-N 296.459 0.613 0 50 CCAA COCCn1cc(C(=O)N[C@@H]2C[C@H](N)C23CCC3)cn1 1775961215 HMYQTECEPSJVMH-NWDGAFQWSA-N 278.356 0.529 0 50 CCAA COC[C@@](C)(O)C(=O)N1CCS[C@@H](C(C)C)C1 86589492 SURPDZVSTSELMG-ZYHUDNBSSA-N 261.387 0.984 0 50 CCAA CN1CC[C@H](C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 633984403 LYIYHUYMNBFBMC-IUCAKERBSA-N 291.277 0.449 0 50 CCAA Cc1cc(CNC(=O)NCC(F)F)nc(N(C)C)n1 170608372 QAYJGNYTSNJSNO-UHFFFAOYSA-N 273.287 0.915 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCOCc2ccccc21 279473072 NVIIRAILHUIRMT-UHFFFAOYSA-N 283.349 0.985 0 50 CCAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@]1(F)CCNC1 408519325 ZBZCJEJQJPZFSU-WFASDCNBSA-N 291.326 0.127 0 50 CCAA CC[C@@H](C)N(CC(=O)O)CC(=O)N1CCO[C@@H](C)C1 224893007 GBYUERRCKUDTMG-MNOVXSKESA-N 272.345 0.419 0 50 CCAA CC(C)c1cc(N2CCO[C@@H](C(=O)O)C2)nc(N(C)C)n1 557082722 TUACCLNJPRDJSE-LLVKDONJSA-N 294.355 0.956 0 50 CCAA CN(C)Cc1cccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 560635374 OUHPDEMMUPXAEF-GJZGRUSLSA-N 291.395 0.495 0 50 CCAA NC(=O)CN1CCC(N=c2cc[nH]cc2F)CC1 711076070 ATJVDCDTTRGMFQ-UHFFFAOYSA-N 252.293 0.004 0 50 CCAA CCc1nccn1C[C@H](C)NCCS(=O)(=O)N(C)C 1506414892 UPRYBAMRZNODBO-NSHDSACASA-N 288.417 0.315 0 50 CCAA N[C@H]1C[C@H](C(=O)N2CCc3ccccc3C2)C[C@@H]1O 1875243103 QEMGLNAQQJMLRW-IHRRRGAJSA-N 260.337 0.670 0 50 CCAA Cc1nnc(CNC(=O)c2ccnn2C(C)C)n1C 330712830 WDLMHMJFGJUDIE-UHFFFAOYSA-N 262.317 0.831 0 50 CCAA Cc1cc2c(cn1)CN(C(=O)CN1CCOC1=O)C2 1857695540 NPTYCLYBLYKHME-UHFFFAOYSA-N 261.281 0.684 0 50 CCAA Cn1cnn(CC(=O)NCC(C)(C)c2cccnc2)c1=O 1615591604 YIVOGIBSMGESSV-UHFFFAOYSA-N 289.339 0.071 0 50 CCAA CCN(C1(C(=O)O)CC1)S(=O)(=O)c1cnn(C)c1 1615571772 PJIOHJDRCQHVFL-UHFFFAOYSA-N 273.314 0.048 0 50 CCAA CCN1CCn2c(nnc2-c2ccnn2CC)C1=O 1772815547 UNRDZMIZMXSQCF-UHFFFAOYSA-N 260.301 0.637 0 50 CCAA COc1cc(=O)[nH]c(SCC(=O)N2CCCCC2)n1 5610956 PXQUUKMFPVFSSZ-UHFFFAOYSA-N 283.353 0.883 0 50 CCAA O=C(O)[C@@H]1[C@H]2C[C@H]2CN1S(=O)(=O)c1ccc(F)cc1 168753914 BNUDSGMYXYNNMY-SWPVVBRQSA-N 285.296 0.919 0 50 CCAA O=C(NCCCc1ccccn1)c1cc(-n2cnnn2)n[nH]1 1857679443 LXSMUDXMKOKJEU-UHFFFAOYSA-N 298.310 0.143 0 50 CCAA CCn1c(CN(CCO)CCO)nc2ccccc21 4386061 OVAXWTAZNKLPAI-UHFFFAOYSA-N 263.341 0.843 0 50 CCAA Cc1noc([C@H]2CN(C(=O)Cn3cccn3)C[C@@H](C)O2)n1 628856035 CGZXVWHOXDDZTL-MWLCHTKSSA-N 291.311 0.563 0 50 CCAA CC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 237516725 QRKKVDLIPYYAPK-WXHSDQCUSA-N 267.373 0.441 0 50 CCAA C[C@H](O)CN1CCN(Cc2nnc(C3CC3)n2C)C[C@H]1C 252321389 ANAAIIHXTGGSOM-NEPJUHHUSA-N 293.415 0.579 0 50 CCAA Cc1nn(C(C)C)cc1CN1CC[C@H]2OCC(=O)N[C@@H]2C1 253432018 WBMJXBLWTWODAB-ZIAGYGMSSA-N 292.383 0.862 0 50 CCAA C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)COC[C@@H]1CCCO1 585125571 XJBRFDMMUFODNG-NDBYEHHHSA-N 298.383 0.683 0 50 CCAA CC(C)N1CCC(C(=O)N2CCC[C@H]2c2nn[nH]n2)CC1 900390447 NXWNAIGSGMLREX-LBPRGKRZSA-N 292.387 0.984 0 50 CCAA CCn1cc(CC(=O)N2CCCC[C@@H]2C(=O)O)cn1 901496825 ZRHISAFFYDESQZ-LLVKDONJSA-N 265.313 0.911 0 50 CCAA Cc1ccc(F)cc1CN1CCC[C@@](O)(C(N)=O)C1 225476988 RECAQPRXCIMVSN-AWEZNQCLSA-N 266.316 0.946 0 50 CCAA CN1CCN(c2nc(N)nc(C(F)(F)F)n2)CCC1=O 688949040 XOYMQJRVNZUJPN-UHFFFAOYSA-N 290.249 0.141 0 50 CCAA CCCc1nnsc1C(=O)N1CC[C@@H](O)[C@@H](O)C1 1565511320 XAPVJELALCPVHK-BDAKNGLRSA-N 271.342 0.058 0 50 CCAA O=C1C[C@@H](COC(=O)[C@]23CCCC(=O)N2CCC3)CCN1 2325807893 CMTJVKSHTDUUNI-XHDPSFHLSA-N 294.351 0.601 0 50 CCAA Cc1cccc(C)c1NC(=O)CN(CC(=O)O)CC(=O)O 1618 DJQJFMSHHYAZJD-UHFFFAOYSA-N 294.307 0.713 0 50 CCAA in-man CN1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)CC1 339418 YSXCAKJMKCEGPG-MNOVXSKESA-N 252.314 0.427 0 50 CCAA COc1ccc(N(CC(=O)O)S(C)(=O)=O)c(OC)c1 4983090 QEFVADPJRBYYQS-UHFFFAOYSA-N 289.309 0.554 0 50 CCAA Cc1nn(C)cc1CCC(=O)N1CCC[C@H](C(=O)O)C1 136165547 JNJVTWHAODFPEH-LBPRGKRZSA-N 279.340 0.984 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1ccnc(OC)c1 65527302 MRAHPANEPLLTKG-WDEREUQCSA-N 294.307 0.229 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)NCc1ccc2c(c1)OCO2 23191733 SQFAAMYSJKIAJO-JTQLQIEISA-N 288.307 0.959 0 50 CCAA CNC(=O)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 151411765 WTGOUSXHRIWATL-CQSZACIVSA-N 283.416 0.947 0 50 CCAA O=C(NCC1(CO)CCOCC1)c1cnn2ccccc12 331993054 AZGGXPVYIRKIKV-UHFFFAOYSA-N 289.335 0.853 0 50 CCAA COCCOCC(=O)Nc1cnc2n1CCCC2 67490523 BYDSSSNPCFDSHF-UHFFFAOYSA-N 253.302 0.821 0 50 CCAA CN1CCc2ncnc(N3C[C@@H](F)C[C@H]3CO)c2C1 363741800 DMJJZHMFIVSIOK-UWVGGRQHSA-N 266.320 0.374 0 50 CCAA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2cnns2)C1 328625856 DOKSIWHSSZCTQA-LLVKDONJSA-N 296.396 0.721 0 50 CCAA Cc1cc(C)nc(CCNC(=O)c2noc(C)c2CO)n1 216276298 TYFSDRFQHRXOJP-UHFFFAOYSA-N 290.323 0.855 0 50 CCAA O=C(N=c1ccc(C2CC2)n[nH]1)[C@@H]1CCCCS1(=O)=O 329554896 DNOOUGRYMXGAAX-NSHDSACASA-N 295.364 0.682 0 50 CCAA Cc1cc2c(=O)n(CCCc3nnn[nH]3)cnc2s1 32503434 XPQDDQKIFRDHCY-UHFFFAOYSA-N 276.325 0.912 0 50 CCAA CCn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cn1 261720176 QZVOODHINYJDQV-SECBINFHSA-N 273.314 0.141 0 50 CCAA COc1ccncc1NC(=O)[C@@H]1C[C@H](OC)CN1C 330563295 KRIVIBVDLAZZOJ-ONGXEEELSA-N 265.313 0.748 0 50 CCAA CN(CCCN1C(=O)NC(C)(C)C1=O)Cc1cc[nH]n1 332387396 ZAXWDTQMXAAAAW-UHFFFAOYSA-N 279.344 0.562 0 50 CCAA Cc1ncc(C(=O)N2CCC([C@@H](C)N(C)C)CC2)c(=O)[nH]1 77438229 CAKKQCVQRJDNJM-SNVBAGLBSA-N 292.383 0.881 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)CN(C)Cc1ccccn1 219531396 QBJQEJNGXWBGMZ-ZIAGYGMSSA-N 293.367 0.434 0 50 CCAA CC(C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 180997737 CIBPXLJEAPEGHK-DGCLKSJQSA-N 294.351 0.761 0 50 CCAA CCOC(=O)C1(NC(=O)[C@@H]2CCNC2)CCCCC1 237156691 ITHLJTQODOFIGS-LLVKDONJSA-N 268.357 0.978 0 50 CCAA C[C@H]1OCC[C@]1(O)CNC(=O)c1nc[nH]c2nccc1-2 614205946 ZWDOCVZQLZBQFP-OQPBUACISA-N 276.296 0.179 0 50 CCAA O=C(NCCc1nc(-c2ccccn2)no1)[C@H]1CCCO1 223059708 QHSDIFWUGLHDOB-LLVKDONJSA-N 288.307 0.969 0 50 CCAA COCCn1cnnc1CN(C)C(=O)C[C@@H]1CCCOC1 426380080 ZZYQOEMIBKFYNC-LBPRGKRZSA-N 296.371 0.700 0 50 CCAA CNC(=O)CCCNC(=O)Nc1cncc(F)c1 95502772 GSTWEAFXQCXFDO-UHFFFAOYSA-N 254.265 0.868 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N2CCCC2)C[C@@]1(O)C1CC1 91871499 MKADFVPNLFHNSX-PWSUYJOCSA-N 274.386 0.420 0 50 CCAA COc1ncc(C(=O)N(C)[C@H]2CCN(C)C2)cn1 426493206 OYYMXOGPMFTWPV-JTQLQIEISA-N 250.302 0.261 0 50 CCAA CN1C(=O)CC[C@H](N2C(=O)c3cccc(N)c3C2=O)C1=O 90031306 YSWQOCGODHPKED-VIFPVBQESA-N 287.275 0.012 0 50 CCAA NC(=O)N1CCC[C@@H](C(=O)NCCn2cccc2)C1 91526537 DWWYJQYYUQDJIB-LLVKDONJSA-N 264.329 0.395 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@@H]2O 95627040 MLPBVLQLVWQEJM-QMMMGPOBSA-N 277.342 0.013 0 50 CCAA Cc1ccnc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 95356795 JFAZWVRSBXUBOK-GFCCVEGCSA-N 296.396 0.094 0 50 CCAA CCc1n[nH]c(C(=O)N2CCNC(=O)[C@@H]2C(C)C)c1C 97815591 JUPWLIPGLDWUOW-LBPRGKRZSA-N 278.356 0.877 0 50 CCAA O=C(Cn1ncc2ccccc2c1=O)NCCc1c[nH]cn1 97729780 RNENFPMOBBISHF-UHFFFAOYSA-N 297.318 0.479 0 50 CCAA Nc1nc(NCCN2CCOCC2)cc([C@H]2C[C@@H](N)C2)n1 244594115 DGPSNXLFTJXYCC-PHIMTYICSA-N 292.387 0.008 0 50 CCAA O=C(CN1CCOCC1)NCC[C@@H]1CCCOC1 529598159 JWVMTYJVVQOXAW-LBPRGKRZSA-N 256.346 0.252 0 50 CCAA COC(=O)[C@H]1CCC[C@@H](NC(=O)c2ncccn2)C1 252551342 UCODBVFRPLCDJL-VHSXEESVSA-N 263.297 0.938 0 50 CCAA O=C(Nc1ccc2[nH]ccc(=O)c2c1)[C@@H]1COCCO1 863947732 ABGSHPDZMFLVDV-ZDUSSCGKSA-N 274.276 0.882 0 50 CCAA C[C@H](CS(C)(=O)=O)NCC1(Cn2cccn2)CC1 534583215 ADTQFXPBCCETJX-LLVKDONJSA-N 271.386 0.686 0 50 CCAA COc1ccc(C(=O)NC[C@@H]2CCNC[C@H]2O)cc1O 534593159 VRZRDOPFNMYFLX-CMPLNLGQSA-N 280.324 0.101 0 50 CCAA CC[C@@H](NC(=O)NCC(=O)NC(C)C)c1ccnn1C 534634328 DMJBUGBZXSWXER-SNVBAGLBSA-N 281.360 0.695 0 50 CCAA O=C(NCCN1CCc2ccccc2C1)c1nc[nH]n1 269560760 KTSYWGKAAUCXLR-UHFFFAOYSA-N 271.324 0.593 0 50 CCAA CN1CCC(OCCCNC(=O)CCn2cncn2)CC1 299755114 ACZNXMCIVUQZBD-UHFFFAOYSA-N 295.387 0.285 0 50 CCAA CC(C)c1nnc([C@@H](C)NC(=O)CNC(N)=O)o1 299762439 VFVNBANEJRUZDR-ZCFIWIBFSA-N 255.278 0.039 0 50 CCAA CCCCn1nc(CC(N)=O)nc1-c1ccc(=O)n(C)c1 822888737 ILANRCAANYNFLD-UHFFFAOYSA-N 289.339 0.472 0 50 CCAA COc1ncc(CN2CCC[C@@H](CS(C)(=O)=O)C2)cn1 824851787 HHZIMACYOOAAIF-LLVKDONJSA-N 299.396 0.742 0 50 CCAA CCCCS(=O)(=O)N1CCOC[C@@H](CN(C)C)C1 822880472 SOADNQINTYGNFW-LBPRGKRZSA-N 278.418 0.626 0 50 CCAA CC1=NO[C@@H](C(=O)N2CCN(CCCCO)CC2)C1 584896771 CUPZPWIQBVQXCE-GFCCVEGCSA-N 269.345 0.068 0 50 CCAA COC[C@@H](CNC(=O)N(CCO)CC(C)(C)C)OC 679708033 MWTCNXLQBZXLFF-LLVKDONJSA-N 276.377 0.698 0 50 CCAA O=C(Nc1cccnc1O)[C@@]12CCOC[C@@H]1CNC2 685943329 YYPYMEZTECQCEW-TVQRCGJNSA-N 263.297 0.352 0 50 CCAA Cc1nc(CC(=O)N2CCOC[C@H]2CC(=O)O)cs1 72174283 YZKMQAIROOKYNI-SNVBAGLBSA-N 284.337 0.696 0 50 CCAA CC1=C(C(=O)N(C)CC2(CO)CCOCC2)OCCO1 952983692 WYLSEXRBXBXTCM-UHFFFAOYSA-N 285.340 0.512 0 50 CCAA CCc1cc(CC(=O)N2C[C@H](N)C3(CCC3)C2)n(C)n1 1775961872 FYNSOIIIEAWEHZ-ZDUSSCGKSA-N 276.384 0.865 0 50 CCAA Nc1nccc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1 1339610562 RAISFWUQFAKWJB-NXEZZACHSA-N 250.302 0.443 0 50 CCAA Cc1cnn(CCNC(=O)c2c[nH]nc2[C@@H]2CCOC2)c1 275841468 HXBGEOCMADIXOW-LLVKDONJSA-N 289.339 0.849 0 50 CCAA Cc1c(C(=O)NCCc2nc(=O)o[nH]2)sc2nccn12 280055936 HZGURXZOFUEVSU-UHFFFAOYSA-N 293.308 0.353 0 50 CCAA CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](O)C1(C)C 408081795 WKARTRNQUJJCNJ-GRYCIOLGSA-N 268.357 0.663 0 50 CCAA CN(C)c1ncccc1CNC(=O)[C@H]1C[C@H](F)CN1 188721049 VJCWPSKWOMCULN-WDEREUQCSA-N 266.320 0.464 0 50 CCAA C[C@@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@@H]1CN 638900232 FYLFHPAFXVCFSM-YPMHNXCESA-N 272.352 0.930 0 50 CCAA CC(=O)NC1CN(C(=O)NCCc2ccsc2)C1 189827048 ZYYWGWNOJLTWDV-UHFFFAOYSA-N 267.354 0.821 0 50 CCAA CCS(=O)(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583616520 GAWLARSYLHSVSH-PWSUYJOCSA-N 283.353 0.293 0 50 CCAA CSC[C@H](NC(=O)CCCN1CCCC1=O)C(=O)O 1506417227 OUFWVMVTGQJTGD-VIFPVBQESA-N 288.369 0.321 0 50 CCAA CCN1CCN(C(=O)CSc2nnc(C)o2)[C@@H](C)C1=O 1506427499 JRPYVPISPQMUPH-QMMMGPOBSA-N 298.368 0.549 0 50 CCAA C[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1 531563662 IRPBYQHXGCQJNQ-VIFPVBQESA-N 261.285 0.375 0 50 CCAA O=C(Cc1n[nH]c2ccccc12)N1C[C@@H](O)[C@H](F)C1 1857687291 OOQCOVVNGVTPEV-BXKDBHETSA-N 263.272 0.647 0 50 CCAA CC[C@H]1COCc2nnc(CN(C)S(C)(=O)=O)n21 1772814576 IFMKNJPSXVNPMT-QMMMGPOBSA-N 274.346 0.151 0 50 CCAA COc1ccc(CN2C[C@@H]3[C@@H](C2)C3(CO)CO)cn1 1772708934 DAFIATYKEYDDJX-VXGBXAGGSA-N 264.325 0.123 0 50 CCAA CN(C)c1cccc(C(=O)N2CCC([C@H](O)CO)CC2)c1 1772707394 SFJWPAKPZSLKDM-OAHLLOKOSA-N 292.379 0.958 0 50 CCAA CN(c1ccccc1)S(=O)(=O)C1=CCS(=O)(=O)C1 5183003 COAFLKNYDCZONU-UHFFFAOYSA-N 287.362 0.765 0 50 CCAA O=C(NCCN1CCOCC1)c1ccc(O)cc1 19839859 SNBVZWGTRKSYQP-UHFFFAOYSA-N 250.298 0.454 0 50 CCAA CCS(=O)(=O)Nc1cc(CN)cc(C(=O)OC)c1 204769382 SPBXHFMQURJJGA-UHFFFAOYSA-N 272.326 0.694 0 50 CCAA CC1(C)O[C@@H]2C(=O)[C@@]3(COC(C)(C)O3)OC[C@H]2O1 4543500 IVWWFWFVSWOTLP-LWINAJNOSA-N 258.270 0.585 0 50 CCAA in-vitro CCc1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)n[nH]1 262834233 SJVNKJLYHBKDSK-SECBINFHSA-N 267.285 0.288 0 50 CCAA CCc1c(C(=O)N2CCN3C(=O)OC[C@@H]3C2)ccn1C 496208544 SKNDEDBNKNGZHJ-JTQLQIEISA-N 277.324 0.864 0 50 CCAA CO[C@@H](C(=O)N1CC2(CNC(=O)N2)C1)c1ccccc1 1857684539 RUUUAXJOHNZUNX-LLVKDONJSA-N 275.308 0.268 0 50 CCAA Cn1nnnc1CCN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 931494575 YWSIONZTCQGCJD-GJZGRUSLSA-N 298.394 0.711 0 50 CCAA O=C([C@@H]1CCCCN1)N1C[C@@H]2CCC[C@H](C1)C2O 253433584 YXFNCNFDLCMAOB-FXJUQPSGSA-N 252.358 0.748 0 50 CCAA Cn1c(CCN)nnc1SCCn1cccn1 426477417 OUHYCHMIXBKEBW-UHFFFAOYSA-N 252.347 0.305 0 50 CCAA COc1ncccc1Cn1cc(S(C)(=O)=O)cn1 901603787 VHRJRHHOYAOFFB-UHFFFAOYSA-N 267.310 0.739 0 50 CCAA CC(C)n1cnnc1CN1CCO[C@@H](CCN)C1 827346309 IOGVFYKMHRVBPK-NSHDSACASA-N 253.350 0.409 0 50 CCAA CO[C@@H]1CC[C@@H]1CC(=O)N1CCc2nn(C)c(=O)cc2C1 2325804542 YJTOXRTTZVUGLX-ZWNOBZJWSA-N 291.351 0.480 0 50 CCAA Cc1nnc2n1CCC[C@H]2N=c1[nH]c(C2CC2)nc(=N)[nH]1 2325824068 NXFHWOJPSOSMRE-SECBINFHSA-N 286.343 0.430 0 50 CCAA COC(=O)CNC(=O)CNC(=O)OCc1ccccc1 1678278 TXMIOBGEEHTBRF-UHFFFAOYSA-N 280.280 0.202 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C 2392347 RNMVWSAJMIKMDY-DTWKUNHWSA-N 259.302 0.920 0 50 CCAA COC(=O)[C@H](CC(=O)O)NC(=O)c1ccccc1 2560876 QKUIURWOJPUEOY-VIFPVBQESA-N 251.238 0.433 0 50 CCAA N[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 20256121 FUWVYADENJKUIE-NSHDSACASA-N 261.391 0.530 0 50 CCAA CC(=O)N[C@@H]1[C@@H](Nc2ccncc2F)[C@H]2CCO[C@H]21 219406439 MQHNDWWGUOLNHT-GHORINQJSA-N 265.288 0.925 0 50 CCAA COCCN1C[C@H](C(=O)N(C)CC(F)(F)F)CC1=O 124562416 KMMJYCDIQOFFLH-MRVPVSSYSA-N 282.262 0.502 0 50 CCAA Cc1cc(C)n(-c2ccc3nnc(CCC(=O)O)n3n2)n1 66442645 SURKCMNYFPEBJY-UHFFFAOYSA-N 286.295 0.944 0 50 CCAA CN1C[C@H](CNC(=O)c2ccccc2N(C)C)OCC1=O 217928973 JMHHHFSSCWLTKT-NSHDSACASA-N 291.351 0.340 0 50 CCAA O[C@@]1(CNCCCN2CCc3ccccc32)CCNC1 77505812 YDJSUPKTMIBUNR-MRXNPFEDSA-N 275.396 0.753 0 50 CCAA Cc1nn(C)c(C)c1CNC(=O)[C@@H]1COCCO1 174078429 XYBWLYSNGIEUNP-NSHDSACASA-N 253.302 0.069 0 50 CCAA Cc1nnnn1Cc1cccc(S(=O)(=O)N(C)C)c1 123401624 RABKQDCKDITDQQ-UHFFFAOYSA-N 281.341 0.280 0 50 CCAA C[C@H]1C[C@H](CN)CN1C(=O)c1cccc(OCC(N)=O)c1 261663477 GLHSZZIFRRMIRR-WDEREUQCSA-N 291.351 0.360 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1cccc(-n2cncn2)c1 125012512 RRQQUUHTLXKZNL-LLVKDONJSA-N 271.324 0.701 0 50 CCAA CCN1CCO[C@H](CN2CCN(c3nnc(C)o3)CC2)C1 376188628 QQQFGSUZDVUNJQ-ZDUSSCGKSA-N 295.387 0.221 0 50 CCAA CN(C)c1ccc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)cn1 215818139 SGIJCVRPTPFRKQ-GJZGRUSLSA-N 290.411 0.789 0 50 CCAA N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1O 34507910 IRKGMFWANMCSOS-RYUDHWBXSA-N 250.298 0.717 0 50 CCAA Cc1cc(CN2CCN(C(=O)[C@@H]3CC[C@H](N)C3)CC2)no1 237728487 BQCGSEXPFZOBIO-OLZOCXBDSA-N 292.383 0.755 0 50 CCAA CC[C@@H](C(=O)N(CC)Cc1cnn(C)c1)N1CCOCC1 219312130 JQCDGONGFZXVTL-AWEZNQCLSA-N 294.399 0.879 0 50 CCAA Cc1ccc(F)c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 335667053 ASQLFLWDDCYTNP-NSHDSACASA-N 291.282 0.510 0 50 CCAA Cc1cccnc1CN1CC[C@](O)(c2c[nH]nn2)C1 285508586 NLYGZSZRHCGZOQ-CYBMUJFWSA-N 259.313 0.602 0 50 CCAA O=S(=O)(NCC(F)(F)F)c1cnn([C@@H]2CCOC2)c1 288634679 SBYIKRANOLOGHB-SSDOTTSWSA-N 299.274 0.685 0 50 CCAA Cc1ccccc1OC[C@H](O)C(=O)NC1(C(=O)O)CCC1 426478038 PNKBPOVUINSBCO-NSHDSACASA-N 293.319 0.858 0 50 CCAA CN1C(=O)C[C@H](C(=O)NCCc2cc[nH]n2)C1(C)C 426494482 OSWBMOHONPZNCK-SNVBAGLBSA-N 264.329 0.325 0 50 CCAA CC(C)[C@@H](C(=O)N1CC[C@@H](C(=O)O)C1)N1CCCC1=O 178264073 GVRJMNAZYGQZAQ-PWSUYJOCSA-N 282.340 0.567 0 50 CCAA C[C@@H](C(=O)NCCc1noc(CO)n1)N1CCCCC1 426380382 KRQQTYFUVRJBSU-JTQLQIEISA-N 282.344 0.095 0 50 CCAA COc1ncc(C(=O)NCCCn2ccnc2)cn1 82270957 MKFVCDPHMCBLBR-UHFFFAOYSA-N 261.285 0.502 0 50 CCAA CCCc1cc(C(=O)NCCN2CCOC2=O)no1 82166493 WWHMMXAKCIPKNU-UHFFFAOYSA-N 267.285 0.809 0 50 CCAA O=C(COCC1CCCC1)N1CCCn2nnnc21 333827740 KKTHZLXXCVUKAI-UHFFFAOYSA-N 265.317 0.617 0 50 CCAA O=c1cc(N2CCOCC2)cnn1C[C@H]1CCCO1 95388337 FFPZUWCDFDJFGA-GFCCVEGCSA-N 265.313 0.259 0 50 CCAA CN1CC[C@H]2CN(C(=O)c3cccn3C)C[C@@]2(C(=O)O)C1 91616265 SWWOXDVPSABUAU-NHYWBVRUSA-N 291.351 0.504 0 50 CCAA Cc1nn(C)cc1NC(=O)CN(C)C1CCOCC1 244899722 ZOVAOZNLFYWEML-UHFFFAOYSA-N 266.345 0.778 0 50 CCAA CNC(=O)C[C@H](C)N(C)Cc1nc(CSC)no1 244874841 XIDPOGPHWUESPD-QMMMGPOBSA-N 272.374 0.889 0 50 CCAA NC(=O)[C@H](O)C1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 299747968 FPGOSBNVPZTOMR-ZIAGYGMSSA-N 296.342 0.417 0 50 CCAA CNC(=O)CN(CC(=O)OC)C(=O)OC(C)(C)C 261361122 PNHTUIINDZTZGZ-UHFFFAOYSA-N 260.290 0.143 0 50 CCAA O=C(NC1(CN2CCCC2)CCCCC1)[C@H]1CNCCO1 534664637 SYIRENBZRBUUPQ-CQSZACIVSA-N 295.427 0.890 0 50 CCAA CCCC(=O)N1CCC(NCCc2nc(N)n[nH]2)CC1 534675290 FBHJZOGLBRQCTE-UHFFFAOYSA-N 280.376 0.310 0 50 CCAA Nc1n[nH]c(CCNC(=O)c2cccc3c2NCCC3)n1 534660592 ZEVUZUIBBRSATC-UHFFFAOYSA-N 286.339 0.718 0 50 CCAA CN1CCN(S(=O)(=O)N2CCC3(CCCC3)C2)CC1 823791238 IJJLQLBXGJVFOA-UHFFFAOYSA-N 287.429 0.745 0 50 CCAA COC[C@H](O)CNC(=O)c1c(C)cccc1OC 824339112 IIXQZWPHJRIXOJ-SNVBAGLBSA-N 253.298 0.741 0 50 CCAA CC(C)c1nc(CNC(=O)c2cc(N)n[nH]2)no1 828211451 FBAHFYNSMHAMFG-UHFFFAOYSA-N 250.262 0.428 0 50 CCAA O=C(CCCn1cnnn1)N1CCOC2(CCCC2)C1 584885643 OYPJIQDEULGRQA-UHFFFAOYSA-N 279.344 0.625 0 50 CCAA Cc1[nH]nc(CCC(=O)N2CCN(C)[C@H](CCO)C2)c1C 584893206 MXEQEWVZCNZVFS-CYBMUJFWSA-N 294.399 0.484 0 50 CCAA Cc1cccc(=O)n1CCC(=O)NCc1csc(N)n1 584902549 WTQLQMRQMVUKHY-UHFFFAOYSA-N 292.364 0.902 0 50 CCAA CCCc1nc(N2CCC(N(C)CCO)CC2)no1 670467749 CAIMPLZQIWCQOB-UHFFFAOYSA-N 268.361 0.915 0 50 CCAA CNC(=O)C[C@H]1CCN(CC(C)(C)CN2CCOCC2)C1 670473797 IZCLSXANVBPWAI-CQSZACIVSA-N 297.443 0.803 0 50 CCAA CCOC(=O)c1c[nH]c(=NCCc2nc(N(C)C)no2)o1 1875357611 NWHBEJFALMXIIB-UHFFFAOYSA-N 295.299 0.377 0 50 CCAA C[C@@H](NC(=O)/C=C/c1cc(CO)cs1)C(=O)O 952868055 ATMWPHSQHZGGBJ-TYWZFMJISA-N 255.295 0.843 0 50 CCAA COc1ccc(CN[C@H]2COC[C@@H]2OC)cc1C(=O)O 952984268 YJGOILVUMZVHJF-AAEUAGOBSA-N 281.308 0.897 0 50 CCAA COCC[C@H](CO)NC(=O)c1csc(-c2cnc[nH]2)n1 1775987127 BUTWVXPEWBQSDJ-MRVPVSSYSA-N 296.352 0.660 0 50 CCAA O=C(NC1(c2ncon2)CCOCC1)c1cn[nH]c1 1337982060 XFUMWTHHPYGLHC-UHFFFAOYSA-N 263.257 0.228 0 50 CCAA CC(C)c1nc(CN2C[C@H](CO)[C@@H](CO)C2)co1 1565530758 OMRPOFQNBIQHDV-GHMZBOCLSA-N 254.330 0.831 0 50 CCAA CCC(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1 276833074 YGBFYOHDIOUREW-NSHDSACASA-N 264.329 0.853 0 50 CCAA NC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)cc1 1074618310 QNHMGLGVHFDISQ-QJPTWQEYSA-N 296.348 0.241 0 50 CCAA CO[C@H]1CN(C(=O)c2cnn3c2CCC3)[C@](C)(CO)C1 634071157 QSYKVXIZDKSLSM-YGRLFVJLSA-N 279.340 0.441 0 50 CCAA C[C@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@@H]1CN 638900227 FYLFHPAFXVCFSM-AAEUAGOBSA-N 272.352 0.930 0 50 CCAA CNC(=O)CN1CCC(NCc2cccc(OC)n2)CC1 189428502 UGYCMDYAHNDIJY-UHFFFAOYSA-N 292.383 0.390 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1cncc(OC)c1 643829800 MGORSKQXIQLZRA-OAHLLOKOSA-N 293.367 0.817 0 50 CCAA Cc1nccn1CCN[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 643960686 ADKPBMCIDDQKJP-ZNMIVQPWSA-N 278.400 0.769 0 50 CCAA CCCCCOCC(=O)N(C)[C@H](C(=O)OC)[C@@H](C)O 585089924 NUXGVAQBFCAYEY-PWSUYJOCSA-N 275.345 0.574 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCc2ccc(CO)cc2)CC[C@@H]1O 1704311493 LVPRBJXVCBLWKI-QLFBSQMISA-N 293.363 0.971 0 50 CCAA CN(C)C(=O)c1ccc(N(C)C[C@@H]2CCCO2)nn1 1857670921 ITFAWSCGQLIEEO-JTQLQIEISA-N 264.329 0.794 0 50 CCAA Cc1cc(NC(=O)[C@@H](N)C(C)(C)C)cc(S(N)(=O)=O)c1 1615055194 IZNSGVGAUNXSGO-LLVKDONJSA-N 299.396 0.954 0 50 CCAA C[C@@H]1c2nncn2CCN1CC(=O)N1CCOC(C)(C)C1 1615002753 OAFYWQNSKFRDPV-LLVKDONJSA-N 293.371 0.292 0 50 CCAA CC(C)CS(=O)(=O)CC(=O)N1CCCC[C@@H]1C(=O)O 262508972 AUCUITZVFVFZEK-SNVBAGLBSA-N 291.369 0.523 0 50 CCAA CN1C[C@@H](CN2CCN(C3CCOCC3)CC2)CCC1=O 1775980976 FKJHNUZRVFAXIT-AWEZNQCLSA-N 295.427 0.651 0 50 CCAA O=C(c1cccs1)N1C[C@H]2[C@H](C1)C2(CO)CO 1772712175 OSCKXKGKNREAAO-IUCAKERBSA-N 253.323 0.421 0 50 CCAA N[C@@H](CCCCNC(=O)c1ccccc1)C(=O)O 1653057 KODLJWKGAKBGOB-NSHDSACASA-N 250.298 0.999 0 50 CCAA biogenic,in-vitro COCCCn1ccc(NC(=O)[C@@H]2CCNC2)n1 237252769 SWPURIKXUVHELM-SNVBAGLBSA-N 252.318 0.468 0 50 CCAA C[C@@H]1C[C@@H](C(=O)Nc2ccn(CC(=O)O)n2)CCO1 262819166 VULZEMYRIILJRO-BDAKNGLRSA-N 267.285 0.721 0 50 CCAA Cc1cc(C)n(CCC(=O)N2CCOC[C@]23CCOC3)n1 799429696 WPSRIRZDCLEJCQ-OAHLLOKOSA-N 293.367 0.908 0 50 CCAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1F 6743539 WLSMLLSIKYKUIV-UHFFFAOYSA-N 275.301 0.855 0 50 CCAA Cc1cc(C(=O)N2CCC([C@@H](O)CO)CC2)no1 1772703725 DMVZXTBLGAWUOZ-NSHDSACASA-N 254.286 0.188 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCC[C@@H](C2(O)CC2)C1 1772808849 COTYOUDZMXNDBT-SNVBAGLBSA-N 275.370 0.185 0 50 CCAA C[C@](O)(CNc1ccccc1S(C)(=O)=O)C(=O)O 566740473 JQCMMTVVIWDBMD-NSHDSACASA-N 273.310 0.338 0 50 CCAA O=C1OC[C@H]2CN(C(=O)N=c3nc(C4CC4)[nH]s3)C[C@@H]12 2325758491 RBBZKOBUPUFFDU-HTQZYQBOSA-N 294.336 0.474 0 50 CCAA Cc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O 379320 RFNVVPCTFNXYBV-UHFFFAOYSA-N 270.354 0.849 0 50 CCAA O=C1NC(=O)c2cc(NC(=O)[C@@H]3CCCO3)ccc21 613916 MAHQLVGTPLYAFT-JTQLQIEISA-N 260.249 0.688 0 50 CCAA O=C(O)CC[C@H](NC(=O)c1ccccc1O)C(=O)O 2173017 SLCAFYIDOSJSMB-QMMMGPOBSA-N 267.237 0.440 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)NCc2nc3ccccc3[nH]2)C1 2356139201 OAOBHLTUMUUFSH-ZWNOBZJWSA-N 288.351 0.492 0 50 CCAA CS(=O)(=O)N(CC(N)=O)c1ccc(F)c(F)c1 8040998 RKDOBHBILGFYKQ-UHFFFAOYSA-N 264.253 0.216 0 50 CCAA O=C(NCCN1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 101835769 QAQUNHWXVGVPDJ-RWMBFGLXSA-N 252.358 0.871 0 50 CCAA C[C@H](CNC(=O)c1nc2ncccn2n1)Oc1cccnc1 67724329 OMMLFHSBRHZDPT-SNVBAGLBSA-N 298.306 0.717 0 50 CCAA CCN1CCC[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 67855076 ABXCDZZWBYYGQX-NSHDSACASA-N 263.341 0.837 0 50 CCAA C[C@H](C(=O)NC[C@@H]1CCCO1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 428189744 RBZYIRFRNKWTLS-ARSDKDGVSA-N 292.379 0.555 0 50 CCAA CO[C@@H]1C[C@H]2C(=O)N([C@H]3CCN(C(C)C)C3=O)C(=O)N2C1 253431875 IIYRHJXONFKYIS-VWYCJHECSA-N 295.339 0.047 0 50 CCAA CNC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 150744409 FOPWLHJTGAEFIU-ZWNOBZJWSA-N 275.352 0.281 0 50 CCAA CC(C)(C)CC(=O)NCc1cn(CC(=O)O)nn1 122838887 UTAGMWWQPDIBNM-UHFFFAOYSA-N 254.290 0.415 0 50 CCAA CCCn1ccnc1CN1CC[C@H](C(=O)NC)C1 215508947 IDOOREAKBAJJQU-NSHDSACASA-N 250.346 0.861 0 50 CCAA CN(Cc1cnc(N2CCCC2)s1)[C@H]1COC[C@@H]1O 215643342 NDVYWSMFFQDYTP-RYUDHWBXSA-N 283.397 0.935 0 50 CCAA Cn1cc([C@]2(C)CN(C(=O)[C@H]3CSCN3)CCO2)cn1 237714523 AUIGOPZGRRAHCI-YPMHNXCESA-N 296.396 0.157 0 50 CCAA Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](F)C[C@H]1CO 334629931 XYXHBRFPAUIXLP-QWRGUYRKSA-N 269.320 0.511 0 50 CCAA CO[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)=O 341628036 OAQPAVMCOMEEJR-JHJVBQTASA-N 268.357 0.929 0 50 CCAA C[C@]1(C(=O)N2CCC[C@]3(CCNC3)C2)CCNC1 335990101 HVIPSFAJILTYTG-UONOGXRCSA-N 251.374 0.588 0 50 CCAA COC[C@@H]1CCCN1Cc1cc2n(n1)CCNC2 215160087 RVEDYGQUUASQHG-LBPRGKRZSA-N 250.346 0.597 0 50 CCAA CCn1ncnc1CN1CCC[C@@]2(C1)CN(C)C(=O)O2 215075793 KGIVAQUBMKAENQ-ZDUSSCGKSA-N 279.344 0.715 0 50 CCAA CN(Cc1cnccn1)[C@H]1CCN(c2cnn(C)c2)C1=O 177241659 XRVBDDGTMYVKNR-ZDUSSCGKSA-N 286.339 0.447 0 50 CCAA CCCn1ccnc1CNC(=O)[C@@H](N)c1c(C)n[nH]c1C 222975122 JKILGTCNWYFLFH-ZDUSSCGKSA-N 290.371 0.949 0 50 CCAA C[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccsc1 49037484 IRSDTTBUWRBLCH-QMMMGPOBSA-N 276.383 0.644 0 50 CCAA CC(C)Cc1noc([C@@H](C)NC(=O)CN(C)C(N)=O)n1 426491422 KZNQVWDKAFWZGV-MRVPVSSYSA-N 283.332 0.456 0 50 CCAA CCC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1NC(C)=O 82137402 ZYLAYXYXTOILIZ-ZYHUDNBSSA-N 292.339 0.147 0 50 CCAA COc1ccsc1C(=O)N1CCOC[C@@H]1C(=O)O 161406830 DVDPGWYJAVSEMK-SSDOTTSWSA-N 271.294 0.682 0 50 CCAA COCCN1CCN(C(=O)CCCc2cn[nH]c2)CC1 96132535 HCVVQDUZPNYZNC-UHFFFAOYSA-N 280.372 0.523 0 50 CCAA CN(C)CCNC(=O)N(CCO)Cc1nccs1 426501906 RUQMBSCKTXUNMI-UHFFFAOYSA-N 272.374 0.209 0 50 CCAA COCC[C@]1(C(=O)O)CCCN(C(=O)c2cnn(C)c2)C1 91693743 XSLVEVOIEVFXPW-CQSZACIVSA-N 295.339 0.764 0 50 CCAA NC(=O)[C@@H]1CCCCN1C(=O)CCc1nccs1 299091307 NCUOSMTWXWFGPO-VIFPVBQESA-N 267.354 0.942 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)COC2CCCCC2)CCO1 299747366 CVJZHXRNYINVPI-NSHDSACASA-N 271.313 0.648 0 50 CCAA O=C(O)[C@@H]1COCCN(C(=O)Cc2ccccc2O)C1 700397260 ODICTNGUKCNHTI-NSHDSACASA-N 279.292 0.494 0 50 CCAA CC(C)Cc1noc(CNC(=O)c2cnn[nH]2)n1 534673739 ZTIJXDCBDGJBBK-UHFFFAOYSA-N 250.262 0.316 0 50 CCAA C[C@@H](O)C(=O)NCC1(N2CCN(C)CC2)CCCC1 534665468 NJIISJSOWZHANL-GFCCVEGCSA-N 269.389 0.044 0 50 CCAA CCc1cccnc1C(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1 630012415 PMEYFCFUKCKWQL-VXGBXAGGSA-N 287.323 0.294 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CN1Cc1cccc(OC)c1OC 276695947 XYWBDFLNUAYRDR-RYUDHWBXSA-N 295.335 0.812 0 50 CCAA Cc1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)cnn1 630131576 RFOAIQUPDFUETL-LBPRGKRZSA-N 293.323 0.881 0 50 CCAA Cc1ccc(CN(C)CC(=O)NCCS(C)(=O)=O)cc1 823708524 KSXADBDHOVVRDT-UHFFFAOYSA-N 298.408 0.588 0 50 CCAA CO[C@@H]1CCN(C(=O)CCN2CCCCC2=O)C1 584896811 UHBHWIFXXWKLLJ-LLVKDONJSA-N 254.330 0.636 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2COCCN2)C[C@H](c2ccccc2)O1 269272402 XYZSLQQODBUIKZ-VHDGCEQUSA-N 290.363 0.963 0 50 CCAA Cn1cc([C@@H]2CN=C(N[C@@H]3C[C@@H]4CC[C@H]3O4)N2)cn1 1875392743 RIOPQKAITWZXEU-WHOHXGKFSA-N 261.329 0.330 0 50 CCAA CN(C)C/C=C/C(=O)N1CCC[C@H](n2ccnn2)CC1 1875366811 DLJNIAMQUDAIBY-BPJJOFIESA-N 277.372 0.950 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC2(CC1)C[C@@H]2CO 1875365385 PSIRJSGKJPEBIH-LLVKDONJSA-N 266.341 0.300 0 50 CCAA O[C@@H]1COC[C@H]1Nc1nnc(-c2ccon2)s1 894098782 KTYYGFZVLQULSN-RNFRBKRXSA-N 254.271 0.365 0 50 CCAA C=CC(=O)N[C@@]12CCC[C@]1(OCCOC)OCC2 1356521112 QDIPZBLWJUDROU-CHWSQXEVSA-N 255.314 0.991 0 50 CCAA CCS(=O)(=O)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565513075 COGBMAYPSGBUKC-QWRGUYRKSA-N 286.353 0.557 0 50 CCAA COc1cc(C[C@H](NC(=O)N(C)C)C(=O)O)cc(OC)c1 548529404 AKUWJOCCGPLYAW-LBPRGKRZSA-N 296.323 0.971 0 50 CCAA COCCN1CCCN(C(=O)C(C)(C)n2cccn2)CC1 667195278 SOYQRFIQUBXFBK-UHFFFAOYSA-N 294.399 0.799 0 50 CCAA CC(C)[C@@H]1OCC[C@H]1C(=O)NCCNC(=O)N(C)C 225494060 KICNXCYHQUCNMF-MNOVXSKESA-N 271.361 0.435 0 50 CCAA CCCCCOCC(=O)N[C@H](C)c1nnc(O)n1C 585127395 ZDZKJVYHLDIBHR-SECBINFHSA-N 270.333 0.905 0 50 CCAA Cn1cccc1C(=O)N[C@H]1CCc2nnnn2CC1 585130115 IIWPKYZDXMWKQK-VIFPVBQESA-N 260.301 0.147 0 50 CCAA Cc1ccc(-n2cnnc2)c(C(=O)N2CC[C@@H](C(N)=O)C2)c1 559595424 ATMSUSYBEKMBLP-LLVKDONJSA-N 299.334 0.523 0 50 CCAA C=Cn1cc(CN(C)CC(=O)N2CCOCC2)cn1 193621823 UOGQENHFQVOQIN-UHFFFAOYSA-N 264.329 0.274 0 50 CCAA O=C1CN(C(=O)c2cc3ccccn3c2)CCCN1 746199797 KWRYBGRGDXQZQO-UHFFFAOYSA-N 257.293 0.901 0 50 CCAA OCCN(CCn1cnnc1)Cc1cccs1 1529142785 SRIWITOHZSYDBY-UHFFFAOYSA-N 252.343 0.834 0 50 CCAA C[C@H]1CCO[C@H]1C(=O)N1C[C@H](C)[C@@](C)(C(=O)O)C1 1857527790 JOZDFJUURHWZTE-XHSYRHOGSA-N 255.314 0.981 0 50 CCAA CCc1c(C)nc(N)nc1N1CC[C@]2(CNC(=O)CO2)C1 1800412300 XMDXYFZXIUSLGE-AWEZNQCLSA-N 291.355 0.025 0 50 CCAA O=C(N1CCS(=O)(=O)CC1)N1CC2(CCCC2)C1 336463705 GRJHQSQSPJOCBZ-UHFFFAOYSA-N 272.370 0.713 0 50 CCAA CC(C)C[C@@H](O)C(=O)N(CCO)Cc1ncc[nH]1 1704310032 NXFBRNDQDNKDII-SNVBAGLBSA-N 255.318 0.138 0 50 CCAA CCN(CCNS(C)(=O)=O)c1ccc(N)c(C)c1 1644623 NPKFETRYYSUTEC-UHFFFAOYSA-N 271.386 0.953 0 50 CCAA in-vitro CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N 2512956 AIZZFYPYPULRFL-RKDXNWHRSA-N 258.318 0.744 0 50 CCAA in-vitro CCc1ccnc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 330700491 IGGDNYKZPCUNMT-LLVKDONJSA-N 282.365 0.951 0 50 CCAA CCCN(C)C(=O)N1C[C@@H](N)[C@H](c2cn(C)cn2)C1 1615059250 YIMKXNSMEZSIFV-GHMZBOCLSA-N 265.361 0.608 0 50 CCAA Cc1noc(COCC(=O)N2C[C@@H](C)N[C@H](C)C2)n1 154115990 PELQHBSHKANDMM-RKDXNWHRSA-N 268.317 0.103 0 50 CCAA Cc1nnc2n1C[C@H](CNC(=O)c1ncccc1O)C2 1772710149 OSSKASRROWENAO-VIFPVBQESA-N 273.296 0.289 0 50 CCAA COc1ccc(CN2C[C@H]3[C@@H](C2)C3(CO)CO)cn1 1772708931 DAFIATYKEYDDJX-TXEJJXNPSA-N 264.325 0.123 0 50 CCAA O=C(O)C[C@@H]1N=C(Nc2nc3ccccc3o2)NC1=O 5731757 AOVMBSMJQPJNFC-ZETCQYMHSA-N 274.236 0.569 0 50 CCAA CC(C)[C@H]1NC(=O)[C@H]2CN(CC3CC3)CCN2C1=O 14754376 BYVBAYDVZCSNDW-VXGBXAGGSA-N 265.357 0.064 0 50 CCAA Cn1nc(NC(=O)[C@H]2CC[C@@H]2C(N)=O)cc1C(F)(F)F 1646997176 CYQMGHMEHYOXJF-WDSKDSINSA-N 290.245 0.889 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCC(O)(c2ccccn2)CC1 1857691507 OCBSFKZXEHVJTL-LBPRGKRZSA-N 273.336 0.420 0 50 CCAA Cc1cc(C)c(CNC(=O)[C@H]2C[C@H](N)[C@@H](O)C2)cn1 1857715395 PMBIQMYRYKGUJJ-DRZSPHRISA-N 263.341 0.413 0 50 CCAA Cc1cnc(CNC(=O)[C@@H]2CCc3ncnn3C2)cn1 1857728466 CGACSFUYWCXIIG-SNVBAGLBSA-N 272.312 0.255 0 50 CCAA Cc1cc2c(cn1)CN(C(=O)[C@H]1C[C@@H](N)[C@H](O)C1)C2 1857733271 CJBCOPIMHKRHHM-ZWKOPEQDSA-N 261.325 0.330 0 50 CCAA C[C@@H]1C[C@H](CNS(N)(=O)=O)CN1Cc1ccccc1 122114721 PMPPOLPUODHVJS-DGCLKSJQSA-N 283.397 0.690 0 50 CCAA Cc1c(NC(=O)CN2CCCC[C@H](O)C2=O)cnn1C 644391563 PYJGFMGNUFEJDE-NSHDSACASA-N 280.328 0.040 0 50 CCAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CCC(OC2CCOCC2)CC1 360571670 FZWXCCPWDUZZPX-CHWSQXEVSA-N 297.351 0.894 0 50 CCAA CC(C)c1cnc(N2C[C@H]3COC[C@@H](C2)C(=O)N3C)nc1 1704314740 RYAVUXPNYHKVCD-OLZOCXBDSA-N 290.367 0.893 0 50 CCAA O=C(Cc1cccc(O)c1)NCCCn1cncn1 223641994 LYUFGQKQTCBUJP-UHFFFAOYSA-N 260.297 0.733 0 50 CCAA CC(=O)SC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)O 34065195 YACVCCXVPMISTO-POYBYMJQSA-N 277.367 0.888 0 50 CCAA NCC[C@H]1CN(Cc2nc(C(F)(F)F)no2)CCO1 534588847 WDMHUYWXHNWUSU-ZETCQYMHSA-N 280.250 0.638 0 50 CCAA Cn1c(O)nnc1CNC(=O)N[C@H]1CC[C@H](C)CC1 705844874 KGXBWFJIRQOOSK-KYZUINATSA-N 267.333 0.899 0 50 CCAA CN1CCCC[C@H](CNC(=O)NCc2ccc(O)nn2)C1 895081530 XKNQZUCHFDSRMT-LLVKDONJSA-N 293.371 0.713 0 50 CCAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1 281484 YRKWMKPGRLEIEM-UHFFFAOYSA-N 298.364 0.311 0 50 CCAA O=C(NCCc1ccccc1)C(=O)NC[C@@H]1CCCO1 2906188 ORULBBMHOUUFSI-ZDUSSCGKSA-N 276.336 0.641 0 50 CCAA C[C@@H]1OCC[C@@]1(O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 228056938 SFFZCLWLFYRIRZ-BYNIDDHOSA-N 255.358 0.929 0 50 CCAA CN1C(=O)N2CN(C(C)(C)C)CN3C(=O)N(C)C1C23 22588854 MLKJEDFDDMZOQL-UHFFFAOYSA-N 267.333 0.403 0 50 CCAA C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)C[C@H]1C 249710600 YAECBHSINRZLAK-XJFOESAGSA-N 284.400 0.715 0 50 CCAA CC(=O)N1CCN(C(=O)CCN2CCC[C@@H](C)C2)CC1 20608373 WUEAYOSHDCKICK-CYBMUJFWSA-N 281.400 0.799 0 50 CCAA Cc1c(C(=O)NCC(=O)O)cccc1N1CCNC1=O 427308014 LAMRTNNONLMBHG-UHFFFAOYSA-N 277.280 0.339 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@@H]2CCOC2)C1 329049823 WEDAAVBTEDHLPF-AGIUHOORSA-N 296.367 0.261 0 50 CCAA Cc1noc(C)c1C(=O)N[C@H](C(=O)O)[C@@H]1CCCOC1 262060404 JBJLJZIQLBFVSW-KOLCDFICSA-N 282.296 0.901 0 50 CCAA NC(=O)c1ccc(OCCCN2CC[C@H]3CNC[C@H]32)cc1 77523486 SLDOIBXNMBSHQH-DZGCQCFKSA-N 289.379 0.848 0 50 CCAA Cc1nc(C(=O)N2CCC[C@@](O)(CO)CC2)c(C)o1 72167677 MISYRBPLFHFKMS-ZDUSSCGKSA-N 268.313 0.641 0 50 CCAA CC(C)CCN1C[C@@H](C(=O)N2CCOCC2)CC1=O 35959875 UPFMDKYQVONNCY-LBPRGKRZSA-N 268.357 0.740 0 50 CCAA CC[C@@H](NC(=O)c1c[nH]c(=O)cn1)c1cnn(C)c1 221450639 ZIAFEPYEZSARNI-SECBINFHSA-N 261.285 0.385 0 50 CCAA CN(C)[C@@H]1[C@@H](Nc2cncc(C(=O)O)n2)[C@H]2CCO[C@H]21 222610313 QWJJGNIATAJVPX-UYZPKGHCSA-N 278.312 0.304 0 50 CCAA Cc1noc(C)c1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 82138286 VUKQFXCMILZQNX-IUCAKERBSA-N 277.321 0.270 0 50 CCAA CCCCN1C(=O)C(O)=C(C(=O)OCC)[C@@H]1C(=O)OCC 44122944 NHNIPGZUPMUNBA-SNVBAGLBSA-N 299.323 0.936 0 50 CCAA CC(C)n1nccc1C(=O)NCc1nnc(N)s1 426465410 DFHPTARJSDHEMD-UHFFFAOYSA-N 266.330 0.828 0 50 CCAA CCC[C@@H](CC(=O)O)NC(=O)CN1CCCCC1=O 426550699 YBRPNKRWASZHBG-JTQLQIEISA-N 270.329 0.759 0 50 CCAA COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O 96032436 YCRKEXYTCFTDDC-VXGBXAGGSA-N 263.293 0.992 0 50 CCAA Cn1cc(CCCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)cn1 91452255 UJLVGWCMNFTHCE-LBPRGKRZSA-N 290.367 0.480 0 50 CCAA C[C@H](NC(=O)c1cnc(-c2ccccc2)[nH]c1=O)C(N)=O 91270606 AMQFOBBBODCVHI-QMMMGPOBSA-N 286.291 0.041 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@]13CC=CC[C@]53[C@H]42 248048747 QHLGHZYVJAXKCF-KXACQHNLSA-N 269.304 0.286 0 50 CCAA COCCOC1CCN(C(=O)[C@H](C)Cn2cncn2)CC1 244898855 ZCWDYBHNJVTRIG-GFCCVEGCSA-N 296.371 0.568 0 50 CCAA O=C1COc2cc(NC(=O)N3CCOCC3)ccc2N1 298710131 KFTMXHAAQPLSDW-UHFFFAOYSA-N 277.280 0.882 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@](C)(C(=O)O)C1 299743076 JUYGERQPSSIQMC-BXKDBHETSA-N 286.353 0.231 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@@H]3[C@@H]4[C@H]5[C@H]([C@H]2[C@@]34F)[C@H]15 254669504 SIQCAIIBAJDPFO-URBYRUGKSA-N 297.289 0.740 0 50 CCAA CCC[C@@H](NC(=O)CCn1cnnn1)c1nccn1C 534663987 NNKKFHMNTPOGKO-SNVBAGLBSA-N 277.332 0.454 0 50 CCAA O=C(CCc1cccnc1)NCC1CCS(=O)(=O)CC1 299770791 REFPWCGAQIXNLC-UHFFFAOYSA-N 296.392 0.955 0 50 CCAA Cc1nc(C(=O)NCCc2nc(N)cc(O)n2)cs1 825317514 NLWBAEZFVFCFSU-UHFFFAOYSA-N 279.325 0.502 0 50 CCAA CCc1csc(CNC(=O)CCn2nnnc2C)n1 823543008 OTDDQHZGDJYUCE-UHFFFAOYSA-N 280.357 0.707 0 50 CCAA Cc1nonc1CNC(=O)CCc1n[nH]c(C)c1C 584903469 WYDLPKMSTVNYHX-UHFFFAOYSA-N 263.301 0.967 0 50 CCAA COc1cc(C)ccc1OCCN1C[C@@H](CO)[C@H](CO)C1 670461422 BASKHSVQQNAFAU-KBPBESRZSA-N 295.379 0.915 0 50 CCAA CC(C)n1cnnc1CNC(=O)C1CCOCC1 670466632 GWQNDPKPJSLKAL-UHFFFAOYSA-N 252.318 0.902 0 50 CCAA Cc1nnc(CN2CCO[C@@H](C(=O)N(C)C)C2)s1 670435786 XDOYMICSCIHQER-SECBINFHSA-N 270.358 0.136 0 50 CCAA CC1(C)CN(CCNC(=O)C2CC(C3CNC3)C2)CCO1 685940377 IAALCNOUFUWVPO-UHFFFAOYSA-N 295.427 0.459 0 50 CCAA CC(=O)N1[C@H]2CCC[C@H]1CC1(C2)NC(=O)NC1=O 1875321874 ZJBGOWCBLFHADK-IUCAKERBSA-N 251.286 0.128 0 50 CCAA COC(=O)C[C@@H]1CCN(C(=O)C2(O)CC2)C2(CC2)C1 1875313554 ULEJXNFSQXYXIT-JTQLQIEISA-N 267.325 0.846 0 50 CCAA C=CC(=O)N[C@H]1CC[C@H](N2CCCS2(=O)=O)CC1 1875376359 UJPGMVPMXWSAJT-XYPYZODXSA-N 272.370 0.635 0 50 CCAA CCN(CC)C(=O)N1CCO[C@H](CN2CCOCC2)C1 952992531 HUBZIWJEHOEBMU-CYBMUJFWSA-N 285.388 0.481 0 50 CCAA O=S(=O)(N1CCCCCC1)N1CC[C@@H]2CCNC[C@H]21 1875268546 LHEIECBSTBFUEV-QWHCGFSZSA-N 287.429 0.791 0 50 CCAA C[C@H]1C[C@H](C(=O)NCCc2nc(O)n[nH]2)CCC1=O 1875254698 OMQDZCIJFUMDDG-JGVFFNPUSA-N 266.301 0.174 0 50 CCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NCc2nc(O)n[nH]2)C1 886082602 UXOGZTSAUJTVIO-MXWKQRLJSA-N 281.360 0.242 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)CC(=O)O 36981368 PCXQADQHVBCCDE-QMMMGPOBSA-N 267.329 0.949 0 50 CCAA CCN(CC(=O)OC)C(=O)C[C@H]1C[C@@H](O)C1(C)C 1776006125 MLWXOWDALPJAQL-NXEZZACHSA-N 257.330 0.805 0 50 CCAA O=C(O)CNS(=O)(=O)c1sccc1Cl 1574892676 CYTSGZGOTNMMRW-UHFFFAOYSA-N 255.704 0.764 0 50 CCAA O[C@]1(C(F)(F)F)CCN(C[C@H]2CCc3ncnn32)C1 639512221 AUYMHJQFJODERY-PSASIEDQSA-N 276.262 0.765 0 50 CCAA CCc1nc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)n[nH]1 408469683 JHIXAWDBQISYOW-PSASIEDQSA-N 290.327 0.817 0 50 CCAA O=C(c1ccnn1CC(F)F)N1CCCn2nnnc21 564321591 ZJGANRKKIIGYRC-UHFFFAOYSA-N 283.242 0.185 0 50 CCAA O=C(N[C@H]1C[C@@H](O)C1)[C@H]1CCCN1CC(F)(F)F 665575994 VEQXOLOYHIJVNK-HRDYMLBCSA-N 266.263 0.653 0 50 CCAA COCCN1C[C@@H](CN=c2cc[nH]cc2F)CC1=O 1506399954 GEQUPOIGLYMWJM-SNVBAGLBSA-N 267.304 0.549 0 50 CCAA Nc1cncc(N2CCN(c3cnccn3)CC2)n1 1857668043 AKWJEUJPBHRZLO-UHFFFAOYSA-N 257.301 0.175 0 50 CCAA CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC[C@H]1C(=O)O 214063245 SLRVVQIMKPOTNJ-BQBZGAKWSA-N 259.258 0.924 0 50 CCAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCCOC1 539605870 ADRDYYKTRZRBHQ-NWDGAFQWSA-N 285.340 0.895 0 50 CCAA CC(=O)N1CCN(C[C@H]2CCC(=O)N(C(C)C)C2)CC1 1772810935 PVXCPQSBIDMBKV-CQSZACIVSA-N 281.400 0.798 0 50 CCAA Cc1cc(S(=O)(=O)N2CCC[C@H](C3(O)CC3)C2)n(C)n1 1772809028 JSUUXIJBXQLGRT-NSHDSACASA-N 299.396 0.654 0 50 CCAA Cc1cccc(CS(=O)(=O)NCCN(C)C)c1 13647813 BJYUHGRKXKCCCA-UHFFFAOYSA-N 256.371 0.976 0 50 CCAA CCn1ccnc1[C@H]1OCCC[C@@H]1C(=O)N[C@H](C)C(=O)O 1857528932 OLLNUMGAZUZCDB-VWYCJHECSA-N 295.339 0.960 0 50 CCAA Cc1ccc(NC(=O)[C@@H](N)C2CCOCC2)c(O)n1 423753584 DNQGTKGQOBNINW-NSHDSACASA-N 265.313 0.788 0 50 CCAA CCC(CC)NC(=O)c1nnc2n1C[C@H](C(=O)OC)CC2 601043823 CBQXYBINFPENFH-SECBINFHSA-N 294.355 0.932 0 50 CCAA Cc1occc1C(=O)N1CCO[C@@H](Cn2ccnn2)C1 636224982 OYXOTALFVWYUHT-LLVKDONJSA-N 276.296 0.721 0 50 CCAA CCOc1cc(N2CC[C@](O)(Cn3ccnn3)C2)ncn1 671467325 XGUSIZLFWJJHCW-CYBMUJFWSA-N 290.327 0.108 0 50 CCAA Cn1nnnc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 904205407 QNEYYGLMCVPEPE-SECBINFHSA-N 286.295 0.202 0 50 CCAA CCc1nc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c[nH]1 70422797 LPSSDURFSRTDTM-JTQLQIEISA-N 286.401 0.544 0 50 CCAA CC(CO)(CO)CNC(=O)c1cc(F)c(F)c(F)c1F 393886695 LZNNXGZECJGKGN-UHFFFAOYSA-N 295.232 0.964 0 50 CCAA C[C@@H]1CS(=O)(=O)C[C@@H]1NC1CC(n2cccn2)C1 1875392224 HOARSGWWYDLENH-YYJSSNLHSA-N 269.370 0.609 0 50 CCAA O=C(N[C@H]1CNCC[C@H]1O)c1n[nH]c2ccccc12 534660308 RUMYUDGBLXINPL-WDEREUQCSA-N 260.297 0.016 0 50 CCAA O=C(NC[C@H]1CCCN1)c1n[nH]cc1-c1ccncc1 2325796424 PITZVHUNJQDIJG-LLVKDONJSA-N 271.324 0.954 0 50 CCAA COc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1OC 51355 KYYVSXUULBNSEU-UHFFFAOYSA-N 291.263 0.333 0 50 CCAA O=C1COC2(CCN(c3nnc(C4CCC4)o3)CC2)CN1 2356156205 WQNBNOWONWTJHH-UHFFFAOYSA-N 292.339 0.823 0 50 CCAA Cn1ccnc1-c1ccc(N2C[C@@H]3CNC(=O)[C@@H]3C2)nn1 2356165239 ZFWYIMVFHUNGMF-VHSXEESVSA-N 284.323 0.059 0 50 CCAA CCn1c(N)c(-c2csc(C)n2)c(=O)[nH]c1=O 4218568 WDMDTVYHJLCXDU-UHFFFAOYSA-N 252.299 0.571 0 50 CCAA CCCNC(=O)N1CCC2(CC1)NC(COC)=NC2=O 63884998 ZQVGNVXYEIGEIP-UHFFFAOYSA-N 282.344 0.115 0 50 CCAA N[C@@H](CNC(=O)c1ccc(N2CCCC2)nn1)C1CC1 137485290 AMCCAXQORXQQAL-NSHDSACASA-N 275.356 0.544 0 50 CCAA CN(C[C@H](O)CO)C(=O)C1(N2CCCCC2)CCCCC1 65466897 NKYISSRCVMLSJR-AWEZNQCLSA-N 298.427 0.987 0 50 CCAA C[C@H]1CN(C)CCN1[C@@H](C(=O)NC(N)=O)c1ccccc1 229807166 ICOHVCDQERHHSL-WCQYABFASA-N 290.367 0.559 0 50 CCAA Cc1cc(C(=O)NC[C@H]2CCn3ccnc3C2)nc(O)n1 328633085 SKIZMDKBSCFGNE-JTQLQIEISA-N 287.323 0.680 0 50 CCAA CS(=O)(=O)C[C@H]1CCCN(Cc2ncc[nH]2)C1 216412840 MTUILBNDOPYEMW-JTQLQIEISA-N 257.359 0.666 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)Cc2cc(C)ccc2C)C1 284576990 KVSFITFTBMCLEV-KBPBESRZSA-N 290.363 0.947 0 50 CCAA CC(C)Oc1ccc(=NC(=O)N2CCC[C@@H](CO)C2)[nH]n1 331068645 RDYJTVRVGHHAHS-LLVKDONJSA-N 294.355 0.922 0 50 CCAA O=S(=O)(CCN1CCOC[C@H](O)C1)c1ccccc1 77504989 LBOQMVHUVHRHTJ-GFCCVEGCSA-N 285.365 0.153 0 50 CCAA Cc1nc(CC(=O)NCCOc2nonc2C)cs1 72447376 CASFRXCCVMPMSS-UHFFFAOYSA-N 282.325 0.881 0 50 CCAA NC[C@@H]1CCCN1C(=O)c1cn(Cc2cccs2)nn1 237974385 WUJIGRLFWPGICY-JTQLQIEISA-N 291.380 0.951 0 50 CCAA O=C1CCCN1C1CCN(CCCn2cc[nH]c2=O)CC1 71761041 HQIRHFYQMBQKJF-UHFFFAOYSA-N 292.383 0.653 0 50 CCAA Cc1cc(CC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)n[nH]1 241846690 SMUWEVCFIUBDQB-XVMOGABASA-N 263.341 0.784 0 50 CCAA O=C(Cc1ccc2c(c1)OCO2)N1CCOC[C@H](CO)C1 77428276 HSQYOHVJMKDZMH-LBPRGKRZSA-N 293.319 0.425 0 50 CCAA O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1cc(=O)[nH]c(=O)[nH]1 82092168 MOWQXMBPTOJNPA-CIUDSAMLSA-N 263.297 0.372 0 50 CCAA O=C(NCc1nncn1-c1ccccc1)N[C@H]1CCOC1 179111547 MFQYFQYCQONKQH-NSHDSACASA-N 287.323 0.855 0 50 CCAA CCS(=O)(=O)[C@H](C)C(=O)NCCCc1ccccn1 220454696 UMWWOXONHBCZPT-LLVKDONJSA-N 284.381 0.954 0 50 CCAA CCC1(O)CN(C(=O)Nc2cc(OC)ncn2)C1 294290488 SROKZUSUAXNWAA-UHFFFAOYSA-N 252.274 0.474 0 50 CCAA Cc1nc(-c2ccccc2-c2nnn[nH]2)n(CCO)n1 96140358 HWOPXTXSBZSYHM-UHFFFAOYSA-N 271.284 0.426 0 50 CCAA COCCn1ccnc1CN1CCN([C@@H]2CCNC2)CC1 97446856 NNAFWDZZRFAGHF-CQSZACIVSA-N 293.415 0.009 0 50 CCAA CC(C)N1CCC(CC(=O)NCCc2n[nH]c(=O)[nH]2)CC1 95374169 WDHNAPLAJOLPBP-UHFFFAOYSA-N 295.387 0.267 0 50 CCAA COc1c[nH]c(C(=O)NCCN2CCCCC2)cc1=O 97436925 YQWJLVMQTFUBLL-UHFFFAOYSA-N 279.340 0.599 0 50 CCAA Cc1cc(N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)ncn1 91535189 ZRLUUEXLWKFBOF-HNNXBMFYSA-N 289.383 0.576 0 50 CCAA CC(C)CS(=O)(=O)CCNc1ncncc1C(=O)O 95363045 KJSKZPPYSGNBOL-UHFFFAOYSA-N 287.341 0.658 0 50 CCAA COCCN1C[C@H](Cc2ncc(F)c(OC)n2)CC1=O 244794516 QOGYTOBSDWJSQY-SECBINFHSA-N 283.303 0.662 0 50 CCAA Cc1cc(=O)cc(C(=O)N[C@@H](c2ncnn2C)C(C)C)[nH]1 534673593 HINYROZRGVQHOJ-GFCCVEGCSA-N 289.339 0.939 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1Nc1ccc(C(N)=O)cn1 823350092 ZZUHUOCZQPLVBV-QWRGUYRKSA-N 264.329 0.312 0 50 CCAA CN(C)CCN1CCN(C[C@@H]2CCOC2)CCC1=O 670452494 DSOFLDXCCRFGDZ-ZDUSSCGKSA-N 269.389 0.119 0 50 CCAA Cc1ccc2ncc(C(=O)N3C[C@H](CO)C[C@H]3CO)n2c1 1875286381 RYZYLXXYPPFKOK-NEPJUHHUSA-N 289.335 0.458 0 50 CCAA CC[C@H](C(=O)NS(=O)(=O)CCNC(C)=O)C(C)C 1875285211 GTKKIGPSNREYGG-JTQLQIEISA-N 278.374 0.251 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1n[nH]c2c1CCCC2 1875366263 GJJHWYCQPSHMEU-UHFFFAOYSA-N 276.340 0.549 0 50 CCAA Cc1nn(C)c(C)c1CNCCN1CCCC[C@@H]1CO 952974835 CJNNQWCEDUYXBB-CQSZACIVSA-N 280.416 0.973 0 50 CCAA Cn1c(=O)c2nc(N3CCC=C(F)C3)[nH]c2n(C)c1=O 893104155 YQMWRRCWFGLKLR-UHFFFAOYSA-N 279.275 0.024 0 50 CCAA CC(=O)NC[C@H]1CN(Cc2ccncc2)CCCO1 888103457 IMKDFQVXLIHULP-AWEZNQCLSA-N 263.341 0.809 0 50 CCAA N[C@@H]1CN(C(=O)COC2CCNCC2)CC12CCC2 1775962515 PTCWHCAIFKQNAP-GFCCVEGCSA-N 267.373 0.095 0 50 CCAA CC(C)(C)OC(=O)NC[C@H]1CNC[C@@H](C(=O)O)C1 1535543502 ASMYHJIYHUDNDZ-BDAKNGLRSA-N 258.318 0.821 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CC1)[C@H](N)CS2(=O)=O 1535543447 RZGVKFILRYSQAF-SECBINFHSA-N 290.385 0.512 0 50 CCAA O=C([C@@H]1CSCCS1)N1CC(N[C@H]2CCOC2)C1 1363637493 YWIRAENRLSSCBH-ONGXEEELSA-N 288.438 0.424 0 50 CCAA O=C(CCc1ccccc1)N[C@H]1CCOC[C@@H]1OCCO 1565526134 RVGCBYHUFAMCLM-GJZGRUSLSA-N 293.363 0.902 0 50 CCAA Cc1cc(C[C@@H](C)NC(=O)c2ccc3c(c2)B(O)OC3)n[nH]1 584964498 IPDGNAHGONTMCO-SECBINFHSA-N 299.139 0.297 0 50 CCAA C[C@@H]1[C@H](C(=O)N2CCN3C(=O)NC[C@H]3C2)C1(F)F 408233337 TUBFFERDJDHGDO-GJMOJQLCSA-N 259.256 0.124 0 50 CCAA Cc1ccc(-n2cnnn2)cc1N1C(=O)N[C@@H](C)C1=O 225454100 BARLHGRFDFOULB-QMMMGPOBSA-N 272.268 0.415 0 50 CCAA C[C@H]1CCN(C(=O)NCCN2CCOCC2(C)C)[C@H]1CO 190506882 IQHHMQXKGQQRIP-STQMWFEESA-N 299.415 0.510 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(Cc2ccncc2F)C1 643747386 DFOIVRCXKFUHKF-ZDUSSCGKSA-N 267.304 0.423 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CC(=O)N2CCOCC2)C1 643859609 LBRBIDUEIGOPNE-NEPJUHHUSA-N 294.355 0.030 0 50 CCAA O=C(O)c1csc(NC(=O)[C@H]2CCCS2(=O)=O)c1 656239615 ZLFOSDUZQYHHSB-SSDOTTSWSA-N 289.334 0.962 0 50 CCAA COC[C@H](C)S(=O)(=O)N1CCO[C@@H](C2CCC2)C1 574057015 UUJDJUVJOPTKOC-CMPLNLGQSA-N 277.386 0.852 0 50 CCAA CC[C@@H](C(N)=O)N(c1ccccc1)S(C)(=O)=O 13710917 UEWLGYIYKRFGLG-JTQLQIEISA-N 256.327 0.717 0 50 CCAA CN(C)CCNC(=O)C(=O)Nc1cccc(F)c1 2855688 QRQHMRWIYUVMOX-UHFFFAOYSA-N 253.277 0.442 0 50 CCAA CC1CN(C(=O)N=c2ccn(CCN(C)C)[nH]2)C1 331754331 HDOCSHHQMJLJDQ-UHFFFAOYSA-N 251.334 0.350 0 50 CCAA N=c1c(C(N)=O)n[nH]n1Cc1ccccc1Cl 253393696 BABUSQZNXVXGMI-UHFFFAOYSA-N 251.677 0.491 0 50 CCAA CCC[C@@H]1C(=O)NCCN1c1nc(C)cc(OC)n1 677959968 WKTLAOBQDBVIEC-SNVBAGLBSA-N 264.329 0.899 0 50 CCAA CS(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 12371833 QVUHJFKDUNYLJQ-LLVKDONJSA-N 282.321 0.713 0 50 CCAA biogenic,in-vitro CC(=O)Nc1ncc(S(=O)(=O)N2CCCC2)s1 12379780 QSOKCTUKNKCJJO-UHFFFAOYSA-N 275.355 0.886 0 50 CCAA CC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 13021057 JJQDXVLJMOOGNY-PHIMTYICSA-N 268.357 0.881 0 50 CCAA CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)c(OC)co1 330388707 NJXYCXFMBUASNU-BDAKNGLRSA-N 294.307 0.293 0 50 CCAA CCNCCNC(=O)c1ccnc(-n2cncn2)c1 237002525 ZPFHNEXCAOPQPO-UHFFFAOYSA-N 260.301 0.002 0 50 CCAA Cn1cnc(S(=O)(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c1 248048762 QHSQBDWWCZMFGQ-ZJUUUORDSA-N 299.352 0.151 0 50 CCAA CCCOC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 249793768 OYHZXNVSFNEBBB-GAIPPQHRSA-N 265.309 0.971 0 50 CCAA CCOC[C@H](O)CN1CCN(c2nc(C)cc(C)n2)CC1 265450142 AVSNXVKSNRQGCW-CQSZACIVSA-N 294.399 0.613 0 50 CCAA Cc1ncc(CN2C[C@H]3COC[C@@H]2CN(C)C3)cn1 1704308036 DDSDBKIKIHUMIB-KBPBESRZSA-N 262.357 0.547 0 50 CCAA O=C(CN1CSCC1=O)NOCc1ccccn1 909528661 XMPBLSXBDLAICG-UHFFFAOYSA-N 267.310 0.162 0 50 CCAA CC1(C)CNC(=O)[C@H]1NCCc1nnn(C(C)(C)C)n1 931652180 NISXRFDHLMUVRX-SNVBAGLBSA-N 280.376 0.085 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CC12CCOCC2 238071340 AVIUGYKJGZENKR-UWVGGRQHSA-N 253.298 0.879 0 50 CCAA O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCCC1 239165351 OAEWNMZGCXRUSP-YRRQLQLVSA-N 276.336 0.640 0 50 CCAA CC1CCN(C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)CC1 239412394 SQKQOTLWSAGPAN-WISYIIOYSA-N 265.309 0.899 0 50 CCAA CC(C)[C@H](O)CCN[C@H]1CCC[C@H]1S(C)(=O)=O 253370975 YXYYEXWTJVOPOY-QJPTWQEYSA-N 263.403 0.949 0 50 CCAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccncc1 169301737 SADJDRDGZDWLOM-WYUUTHIRSA-N 276.292 0.576 0 50 CCAA C[C@H](O)CN1CCC(CN(C)Cc2ncnn2C)CC1 177133473 QLGVVSMHSKDOGT-LBPRGKRZSA-N 281.404 0.340 0 50 CCAA Cn1cc(CC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cn1 181375383 BGTGULRVAXONMD-LLVKDONJSA-N 274.328 0.835 0 50 CCAA Cc1nn(C)c(C(=O)NC2(C(=O)O)CC2)c1Cl 426369243 NWAYJYRQRYSQDM-UHFFFAOYSA-N 257.677 0.729 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccco1 643971178 AYPYDOAVNAXAND-LLVKDONJSA-N 289.309 0.534 0 50 CCAA N[C@@H](Cc1onc(O)c1Br)C(=O)O 4262468 JRTOQOAGTSUNHA-REOHCLBHSA-N 251.036 0.097 0 50 CCAA in-vitro C[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)C[C@H]1C(=O)O 227146560 BGISRHYQBICAIT-JLLWLGSASA-N 263.293 0.899 0 50 CCAA Cc1cc(S(=O)(=O)N[C@H]2CCCNC2=O)c(C)s1 51157064 WZZOPLZARXHWSM-VIFPVBQESA-N 288.394 0.922 0 50 CCAA CCOC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 252474516 GYFMILMYWKYQQB-UPJWGTAASA-N 270.373 0.184 0 50 CCAA COC[C@@H](C)N[C@H]1CCCN(c2nccnc2O)C1 328626061 DUBCJCJHHVJEIK-MNOVXSKESA-N 266.345 0.776 0 50 CCAA Cc1cc(CS(=O)(=O)N2CCn3ccnc3C2)no1 328885845 OOMHUBRLUPWMII-UHFFFAOYSA-N 282.325 0.525 0 50 CCAA C[C@H](O)CNS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 123157244 ISQDTIXEIQIODK-AEJSXWLSSA-N 250.364 0.180 0 50 CCAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@H]1C[C@@]12CCOC2 332897390 MQWGGHUDWMMTBH-TYNCELHUSA-N 278.352 0.683 0 50 CCAA O=C(NCCN1C(=O)CCCC1=O)[C@@H]1C[C@@H]1C1CC1 333064072 SXJOAXMFPGKOKK-GHMZBOCLSA-N 264.325 0.688 0 50 CCAA CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(N)=O 72117317 CEFKHPWOOAOSNY-LLVKDONJSA-N 286.353 0.725 0 50 CCAA CCN1CCOC[C@H]1C(=O)N1CCCc2n[nH]cc21 363752004 OIELOQICLQHHRJ-LBPRGKRZSA-N 264.329 0.410 0 50 CCAA O=C(O)[C@@H]1C[C@@H]1C(=O)N1CC[C@](O)(C(F)(F)F)C1 261573680 MJHIRLKYVOGKPM-CCGCGBOQSA-N 267.203 0.233 0 50 CCAA C[C@@H](OCC(F)(F)F)C(=O)N1CC[C@H](C(=O)O)C1 237398505 AGDDDMDGXBQBAB-RQJHMYQMSA-N 269.219 0.887 0 50 CCAA Fc1ccc([C@@H]2CN(CCc3nnn[nH]3)CCO2)cc1 71748321 YAIUDJSABIVKCQ-LBPRGKRZSA-N 277.303 0.955 0 50 CCAA O[C@@]1(Cn2ccnn2)CCCN(c2ncc(F)cn2)C1 284844925 XATHJNADJRYZLW-LBPRGKRZSA-N 278.291 0.239 0 50 CCAA NC[C@H]1CCCN1C(=O)c1ccc(-n2cnnc2)cc1 238051979 ANWZPOBVNGPXSR-CYBMUJFWSA-N 271.324 0.831 0 50 CCAA C[C@]1(C(=O)N2CCC[C@@]3(CCNC3)C2)CCNC1 335990099 HVIPSFAJILTYTG-KBPBESRZSA-N 251.374 0.588 0 50 CCAA C[C@H](Cn1cccn1)C(=O)N(C)CCc1cnn(C)c1 214967101 IPEXYNMERQJDBT-GFCCVEGCSA-N 275.356 0.954 0 50 CCAA C[C@H](Cc1cnccn1)NC(=O)c1ccncc1O 215951171 PQMCXBKXADSEMN-SECBINFHSA-N 258.281 0.938 0 50 CCAA Cc1cc(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)O)C2)n(C)n1 263363124 SLBDBJHSKCLGDO-MWLCHTKSSA-N 294.355 0.981 0 50 CCAA Nc1ccnc(N2CCn3nc(CCC(=O)O)cc3C2)n1 72477103 VCRDQRWUEGOJKQ-UHFFFAOYSA-N 288.311 0.293 0 50 CCAA CC[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C)C2=O)CCO1 528022428 RYEXNFNQHXQVAB-IJLUTSLNSA-N 283.372 0.864 0 50 CCAA Cc1cncn1CC(=O)N1CCC[C@H](N2CCNC2=O)C1 528197607 MOCKLZWDXUYPBK-LBPRGKRZSA-N 291.355 0.208 0 50 CCAA C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H](N)c1ccccc1 178141973 YGKGLLPNHYTSRK-PWSUYJOCSA-N 282.365 0.332 0 50 CCAA O=C(Cc1nc(O)n[nH]1)N[C@@H]1COC2(CCCCC2)C1 426739705 JEVVTDKRWUAYIV-VIFPVBQESA-N 280.328 0.661 0 50 CCAA O=C(NCC1(Cn2ccnc2)CC1)c1cnc(O)cn1 223678105 DTWWBPNRNCUSRZ-UHFFFAOYSA-N 273.296 0.589 0 50 CCAA O=C(CCN1CCCCC1=O)NCc1ccc(C(=O)O)o1 426361681 LIDCSCASCXREDD-UHFFFAOYSA-N 294.307 0.997 0 50 CCAA CCn1ncnc1CN1CCN(c2cnccn2)CC1 193317807 FSESJBVFQQROTF-UHFFFAOYSA-N 273.344 0.410 0 50 CCAA CCCn1cnnc1[C@@H](C)NC(=O)C(C)(C)NC(C)=O 426377983 LMMFEFQKRJFRGS-SECBINFHSA-N 281.360 0.780 0 50 CCAA Cc1cc(CN2CCN(C(=O)[C@@H]3CC[C@@H](N)C3)CC2)no1 237728455 BQCGSEXPFZOBIO-CHWSQXEVSA-N 292.383 0.755 0 50 CCAA CC1(C)C[C@@H]1C(=O)N1CCN(CCC(=O)O)CC1 232812287 ALHIRQWZDYPLFB-SNVBAGLBSA-N 254.330 0.651 0 50 CCAA CN(C)C[C@@H]1CN(Cc2ccc(CCN)cc2)C[C@@H]1CO 91270432 RKPMIVIGMHTULZ-IAGOWNOFSA-N 291.439 0.790 0 50 CCAA CCc1nc(CNC(=O)N2CCC[C@]3(CCNC3)C2)no1 426581338 UQCVHZBBELUJNX-CQSZACIVSA-N 293.371 0.917 0 50 CCAA Cc1cc(=O)c(C(=O)NCC2(C)COC2)cn1C 426512389 YNWGQGYCMZCKJM-UHFFFAOYSA-N 250.298 0.460 0 50 CCAA COc1nc(NS(=O)(=O)c2cn(C(C)C)cn2)n[nH]1 181345686 IFYMKAZKPHYAHO-UHFFFAOYSA-N 286.317 0.392 0 50 CCAA CC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 299739626 QRKKVDLIPYYAPK-KGYLQXTDSA-N 267.373 0.441 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H](CC)[C@@H](N2CCOCC2)C1 299754146 FOOQTDYPYYQRDF-ZQDZILKHSA-N 296.411 0.981 0 50 CCAA CN1CCC(n2nnc3c2C[C@H](C(=O)O)CC3)CC1 536948775 VAOLQPXWZUYMTR-SECBINFHSA-N 264.329 0.734 0 50 CCAA COCC1(CNC(=O)[C@@H]2CCC(=O)NC(=O)N2)CCCC1 534589532 QEGLZACWTCXPGC-JTQLQIEISA-N 297.355 0.298 0 50 CCAA Cc1n[nH]nc1C(=O)NCC1CCN(CC2CC2)CC1 299790004 AOCSHAJHCWYYOV-UHFFFAOYSA-N 277.372 0.965 0 50 CCAA CC(=O)c1ccc(NC(=O)NC[C@@]2(O)CCNC2)cc1 299792909 GCMFKUGNKZYVRB-CQSZACIVSA-N 277.324 0.735 0 50 CCAA CC(C)N1C[C@H](CNC(=O)c2cncnc2)CC1=O 584894048 PRRNVPJPUPIUGH-JTQLQIEISA-N 262.313 0.463 0 50 CCAA COC(=O)[C@H](COCc1ccccc1)NC(=O)C(C)(C)N 585661711 QDMKEDYWFQDWIN-LBPRGKRZSA-N 294.351 0.598 0 50 CCAA C[C@@H](NC(=O)CCNS(C)(=O)=O)C1=CCCCC1 670445148 PICIEAQMXSRIBH-SNVBAGLBSA-N 274.386 0.931 0 50 CCAA CC[C@@H]1CN(C(=O)[C@H](O)c2cnc[nH]2)C[C@]2(CCOC2)O1 867950625 XLONRFLNZBDCBP-QKCSRTOESA-N 295.339 0.240 0 50 CCAA C[C@H](NC(=O)Cc1ccn(C)n1)c1nn(C)cc1O 1456791308 SIBCPXCAYYGDKJ-QMMMGPOBSA-N 263.301 0.279 0 50 CCAA CC(C)(CO)S(=O)(=O)Cc1ncnn1-c1ccccc1 1875279255 JYXPCQKNZSIELY-UHFFFAOYSA-N 295.364 0.953 0 50 CCAA CS(=O)(=O)NC(=O)c1cccnc1Oc1cccnc1 1875390781 JYDKIOKWPPLBEU-UHFFFAOYSA-N 293.304 0.958 0 50 CCAA Cn1ccc(C(=O)NC[C@@H]2CC3(CCNCC3)CO2)n1 877328887 NYFCVHPLMQZPEM-NSHDSACASA-N 278.356 0.309 0 50 CCAA c1nc2n(n1)[C@@H](Cn1cc([C@@H]3CCOC3)nn1)CC2 1331885489 ZZAHRMQIAYYXTP-NXEZZACHSA-N 260.301 0.561 0 50 CCAA COc1ccnc(N2N=C([C@@H](C)OC)CC2=O)n1 899347040 FVOQOLUDPGSAGC-SSDOTTSWSA-N 250.258 0.613 0 50 CCAA Cc1cnn(C[C@H]2CN(C[C@@H](O)C(F)(F)F)CCO2)c1 248549715 FZTAAIZCGYBDNQ-GHMZBOCLSA-N 293.289 0.816 0 50 CCAA CNC(=O)[C@@H]1CN(Cc2ccc(F)nc2)CCO1 170601330 CKKWROYXGXQIDJ-JTQLQIEISA-N 253.277 0.168 0 50 CCAA COC[C@@H]1CN(c2ccncc2C(N)=O)CC(C)(C)O1 517046196 YRJBUWHVHTWOHM-JTQLQIEISA-N 279.340 0.811 0 50 CCAA Cc1cc(C(=O)N2CSC[C@@H]2C(=O)O)nn1C 304175753 TVVXNYJGUIPSLU-MRVPVSSYSA-N 255.299 0.328 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)CC1(O)CCC1 408519692 RPZDHCCNEXRKTJ-NSHDSACASA-N 268.357 0.665 0 50 CCAA O=C(NCCOc1ccc(Cl)cc1)[C@@H]1C[C@H](O)CN1 408525850 MZIKTBUPMNTFMP-JQWIXIFHSA-N 284.743 0.558 0 50 CCAA C[C@@H](C(=O)NCc1ccco1)[C@H](C)S(C)(=O)=O 225702078 ISZVSEBZEMXUSE-BDAKNGLRSA-N 259.327 0.965 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(C2CC2)no1 643938702 VWPGHTDEBKBCNR-AWEZNQCLSA-N 293.323 0.659 0 50 CCAA O=c1[nH]ccnc1N1CCC[C@@H](Nc2cnccn2)C1 663826547 PUOAPFHQMCBWOL-SNVBAGLBSA-N 272.312 0.641 0 50 CCAA CC(C)Cc1cc(C(=O)N(C)[C@@H](C)CC(N)=O)nc(N)n1 1506403570 CLVVSFXCXJJXKK-VIFPVBQESA-N 293.371 0.593 0 50 CCAA CN1CCC(CNc2nccnc2C(=O)O)(N(C)C)CC1 1506400095 AAVYCGUKRIEAIT-UHFFFAOYSA-N 293.371 0.613 0 50 CCAA Nc1ccnc(N[C@@H]2CCCN(c3ncccn3)C2)n1 1506408125 VJAKZRQOCUZIKI-SNVBAGLBSA-N 271.328 0.930 0 50 CCAA OC[C@H]1CCN(c2noc(C3CCC3)n2)C[C@@H]1O 1875245846 AJBFJHVWAAUBTH-ZJUUUORDSA-N 253.302 0.517 0 50 CCAA COCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704277884 CGDRLOCIKBZGTA-NEPJUHHUSA-N 250.298 0.402 0 50 CCAA O=C1C[C@@H](NS(=O)(=O)CC2CCC2)[C@H]2CCCCN12 328740426 NCALNCJKXZAZTO-VXGBXAGGSA-N 286.397 0.859 0 50 CCAA CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)on1 353178980 BDWVPZKADGZGMB-ONGXEEELSA-N 254.286 0.907 0 50 CCAA O=C(C1CC1)N1CCCN(S(=O)(=O)C2CC2)CC1 155710659 MTGCZTNWFCGHFF-UHFFFAOYSA-N 272.370 0.423 0 50 CCAA OCCOc1ccccc1CN1C[C@H]2[C@@H](C1)C2(CO)CO 1772812624 MORUHBNQEGSMLG-OKILXGFUSA-N 293.363 0.090 0 50 CCAA COCCNC(=O)c1cccc(NC(=O)CCC(=O)O)c1 12138836 CEQWNZITQHQYPJ-UHFFFAOYSA-N 294.307 0.866 0 50 CCAA CO[C@@H]1C[C@@H](C(=O)NCc2cc(O)nc(C)n2)CC[C@H]1N 1875242449 UAEKLESMKWCINI-MVWJERBFSA-N 294.355 0.249 0 50 CCAA Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnc(C)[nH]1 328613583 SLDMSDYDNVYSJU-VIFPVBQESA-N 296.356 0.431 0 50 CCAA Cc1cn2ccc(C(=O)NC[C@H]3CN(C)CCO3)cc2n1 635453779 RJDXYKFFMIHUQR-ZDUSSCGKSA-N 288.351 0.703 0 50 CCAA Cc1cc(CN2CCC[C@](O)(CC(=O)N(C)C)C2)ncn1 643812755 SJTZNUUIERBULP-HNNXBMFYSA-N 292.383 0.590 0 50 CCAA CCCN(C(=O)c1ccccn1)[C@H]1CC(=O)N(C)C1=O 253392925 HBSMJEWZMZWALZ-NSHDSACASA-N 275.308 0.691 0 50 CCAA CC(=O)NC[C@H]1CN(CCc2ccns2)CCO1 929667974 FHXPZTCPWRWWPS-NSHDSACASA-N 269.370 0.523 0 50 CCAA CC(C)NC(=O)CN(C)CC(=O)Nc1nccs1 141262834 LEYPQNYOOOICNB-UHFFFAOYSA-N 270.358 0.538 0 50 CCAA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)NCCCC(=O)O)[C@H]31 262944319 BTGITGQEFPIWNR-CXWACVEQSA-N 282.340 0.916 0 50 CCAA NC(=O)[C@@]1(O)CCN(C(=O)c2cccc3[nH]ccc23)C1 312505696 RFLVRNFRAUKIAQ-CQSZACIVSA-N 273.292 0.230 0 50 CCAA Cc1nc(N)ncc1C(=O)N[C@H](C(=O)O)C(C)C 426388609 XRJDVSLXAYLUNG-QMMMGPOBSA-N 252.274 0.206 0 50 CCAA CC[C@H](C(=O)O)N1CCN([C@@H]2CCC[C@H]2O)CC1 364928703 DGLOPLQJFYEMAW-IJLUTSLNSA-N 256.346 0.381 0 50 CCAA CC(C)(O)CCN1CCC[C@H](N2CCCS2(=O)=O)C1 366112594 AVBAGUPGNXWIDV-LBPRGKRZSA-N 290.429 0.647 0 50 CCAA COc1nc(C(=O)N=c2[nH]oc3ccc(F)cc23)nn1C 2100482581 KCOYSDXWENMBOW-UHFFFAOYSA-N 291.242 0.778 0 50 CCAA CCc1nc(C)c(C(=O)N[C@H]2CNC[C@@H]2OC)o1 534631066 QMTJIUWGLYICTH-IUCAKERBSA-N 253.302 0.262 0 50 CCAA Cc1nn(C)c(C(=O)N2CCC[C@]23CCCNC3=O)c1C 2356136388 SDUMWFMAWPAENI-HNNXBMFYSA-N 290.367 0.922 0 50 CCAA CCN(CC)C(=O)C(=O)Nc1ccc(C(N)=O)cc1 2838327 KLDKMSRQTRNJEB-UHFFFAOYSA-N 263.297 0.592 0 50 CCAA O=C(CCc1nc(O)n[nH]1)N1CCO[C@@H](C(F)(F)F)C1 2356155164 ZVNZOWFRKBUQEV-ZCFIWIBFSA-N 294.233 0.233 0 50 CCAA CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1O 4027517 VVSWDMJYIDBTMV-PRFQISJJSA-N 282.292 0.194 0 50 CCAA biogenic,in-vitro CN1CCN(C(=O)N[C@H]2[C@@H]3CNC[C@@H]32)Cc2ccccc21 418677726 VCYCOXMRWUJOIL-NHAGDIPZSA-N 286.379 0.866 0 50 CCAA O=C(CN1C[C@@H](F)C[C@H]1CO)NCCOc1ccccc1 346365882 NZNCMTKFWFKKLX-STQMWFEESA-N 296.342 0.586 0 50 CCAA Cc1cccn2c(CNC(=O)CCn3cncn3)cnc12 67982563 WZDZQVZTDXXNKJ-UHFFFAOYSA-N 284.323 0.941 0 50 CCAA Cc1cccc(C(=O)N2CCNC(=O)[C@@H]2CCO)c1Cl 20995753 AWQIZYKWERDEMW-NSHDSACASA-N 296.754 0.971 0 50 CCAA CCN1CCN(C(=O)[C@H]2CCOC2)C[C@H]1c1nccn1C 328619706 GCWSDCLZGIIORS-STQMWFEESA-N 292.383 0.662 0 50 CCAA COc1cc(C)nc(CN2CCC[C@@H](S(N)(=O)=O)C2)c1 355726807 BOOQUQGOEVLDEY-CYBMUJFWSA-N 299.396 0.652 0 50 CCAA COCC[C@@H](CO)NC(=O)c1cnn(C(C)C)c1C 253432151 WVXAUTADFQXBID-NSHDSACASA-N 269.345 0.900 0 50 CCAA OC1(CN2CCC[C@H](CN3CCOCC3)C2)CCOCC1 124826955 NJTZLPUFLBVGAM-OAHLLOKOSA-N 298.427 0.572 0 50 CCAA CN(C)C[C@@]1(O)CCN(C(=O)CCCc2cn[nH]c2)C1 72144485 TXIXKAOUKFXRGA-AWEZNQCLSA-N 280.372 0.257 0 50 CCAA CC[C@]1(C(N)=O)CCCN(C(=O)c2[nH]nc(N)c2Cl)C1 215157851 HPJFBPTXRUCPER-LBPRGKRZSA-N 299.762 0.763 0 50 CCAA Cc1ccc2nc(CNC[C@]3(O)CCNC3)cn2c1 77486583 KTHATJIUJVQJAY-AWEZNQCLSA-N 260.341 0.457 0 50 CCAA CCCCC(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 77394213 QPUVIHVYARKMSN-LBPRGKRZSA-N 292.383 0.913 0 50 CCAA NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)C1 71714995 LJHCMRZSUYIWKA-GFCCVEGCSA-N 279.315 0.392 0 50 CCAA Cc1nc[nH]c1C(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1 72135433 MUIBMGHKNYIVEU-GFCCVEGCSA-N 264.285 0.385 0 50 CCAA CS(=O)(=O)c1cc(C=O)ccc1N1CCOCC1 42684454 JKZKGXSAODKIFG-UHFFFAOYSA-N 269.322 0.739 0 50 CCAA Cn1nnc(CNC(=O)c2cc(Cl)cn2C)n1 331111326 LJBSYNYILLQJHR-UHFFFAOYSA-N 254.681 0.132 0 50 CCAA O=C1C[C@@H](C(=O)NCCc2cnn[nH]2)c2ccccc2N1 426389533 XQWONAXVYNQCLK-LLVKDONJSA-N 285.307 0.589 0 50 CCAA COCCn1cnnc1CCNc1cc(N)nc(C)n1 91535058 NMNKDECPWMTAIK-UHFFFAOYSA-N 277.332 0.260 0 50 CCAA Cc1cnc(CNC(=O)C[C@H]2CN(C(C)C)CCO2)cn1 97819589 RDSMGVZKFNROSG-AWEZNQCLSA-N 292.383 0.901 0 50 CCAA COc1c[nH]c(C(=O)NCc2nc(C)no2)cc1=O 604418948 XZYCQMFYTZWSHJ-UHFFFAOYSA-N 264.241 0.005 0 50 CCAA CCOc1nccnc1N1CC[C@H](S(=O)(=O)NC)C1 542828898 QZWYDJPRFCTVTC-VIFPVBQESA-N 286.357 0.003 0 50 CCAA CNS(=O)(=O)CCCNC(=O)c1ccccc1OC 629347621 FSDDITZGNPYFLS-UHFFFAOYSA-N 286.353 0.364 0 50 CCAA O=C1NC2(CCOCC2)C(=O)N[C@@H]1c1ccccc1 828301493 JUHWPWBHUUBWPI-LLVKDONJSA-N 260.293 0.523 0 50 CCAA Cc1ncn(C)c1C(=O)N1CCN(CCCCO)CC1 584903198 AUZLKYGHDTXWNN-UHFFFAOYSA-N 280.372 0.259 0 50 CCAA O=C(NCCN1CCNCC1)C1(N2CCCC2)CCCC1 827661320 PYBILNOQOPWDCM-UHFFFAOYSA-N 294.443 0.416 0 50 CCAA Cc1nc(CCN(C)C(=O)Cc2sc(N)nc2C)no1 584892561 HCMYKLASLOIZGU-UHFFFAOYSA-N 295.368 0.969 0 50 CCAA COc1cccc2c1OC[C@@H](NC(=O)c1[nH]nnc1C)C2 584891664 QKUJXUWKWQIEAU-JTQLQIEISA-N 288.307 0.855 0 50 CCAA CCCN1CCN(C(=O)[C@@H]2CCCCCN2C)CC1=O 952872616 SCMCJXXDHVFUJX-ZDUSSCGKSA-N 281.400 0.942 0 50 CCAA C[C@]1(O)CCN(C(=O)c2ccc3nccnc3c2)C[C@H]1O 1565510186 PDSANIDARDMWDA-HIFRSBDPSA-N 287.319 0.588 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2ccnn2C)[C@H]2CCO[C@H]21 1565530658 IOHCZSPBCJMMNF-LLHIFLOGSA-N 265.313 0.200 0 50 CCAA Cc1ccnc(N2CC[C@H](N=c3ccc4nccn4[nH]3)C2)n1 547694717 JQWNGQVWSCSLAK-LBPRGKRZSA-N 295.350 0.940 0 50 CCAA COc1cnc(NC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)cn1 585083946 SUZKUHDFQJAOOT-DTWKUNHWSA-N 294.311 0.060 0 50 CCAA O[C@H](CN1CCSC2(CCOCC2)C1)Cn1cccn1 186809512 RQZMAEFVDKHHCB-CYBMUJFWSA-N 297.424 0.842 0 50 CCAA C[C@H]1Cc2cnccc2N1C(=O)CN(C)S(C)(=O)=O 585086590 LVFRVXDXWSHZGZ-VIFPVBQESA-N 283.353 0.251 0 50 CCAA Cc1nc2c(c(NC[C@H](C)S(N)(=O)=O)n1)CCCC2 679839186 OEQGPGNYSPVORG-QMMMGPOBSA-N 284.385 0.753 0 50 CCAA CO[C@]1(C)C[C@H](NC(=O)[C@H]2CNCCO2)C1(C)C 187992517 XSEINEUWZIVTDN-GBIKHYSHSA-N 256.346 0.295 0 50 CCAA Cc1nc2n(n1)CCN(C(=O)[C@H]1CCCO[C@@H]1C)C2 408330122 QAUKTDFZRGEKGU-KOLCDFICSA-N 264.329 0.744 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccncc1F 643852438 CLXXROJTCDGZIX-CYBMUJFWSA-N 282.271 0.927 0 50 CCAA Cc1cnc(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)cn1 903655362 BCUZYMKUFYGGRH-QMMMGPOBSA-N 272.330 0.003 0 50 CCAA CN(CCCN1CCCCCC1)C(=O)[C@@H](N)CO 1506418597 SVCCHHWEZMTURH-LBPRGKRZSA-N 257.378 0.031 0 50 CCAA COCCn1cnnc1CN(C)C(=O)C1CCOCC1 1506426795 JCZFNWQYXYDGHI-UHFFFAOYSA-N 282.344 0.310 0 50 CCAA CCn1nc(C(=O)N[C@H]2CCC[C@H]2F)ccc1=O 1615539709 CWGKPMDHNXMJKE-BDAKNGLRSA-N 253.277 0.884 0 50 CCAA CN1CCO[C@@H](C(=O)N(C)C[C@H]2CCn3ccnc3C2)C1 328636947 VUPLKAOHZAMJAV-QWHCGFSZSA-N 292.383 0.235 0 50 CCAA C[C@@]1(C(=O)O)CCN(C(=O)Cn2cc(C3CC3)nn2)C1 237647632 TXYRVMPIRHOEPU-CYBMUJFWSA-N 278.312 0.479 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(Cc1nccn1C)C2 1704324943 FQHIWCANPYGHBJ-RYUDHWBXSA-N 250.346 0.183 0 50 CCAA CCc1cc(CN2C[C@@H]3COC[C@H](C2)N(C)C3)on1 1704326107 XBLSZGRCOWTIIA-YPMHNXCESA-N 265.357 0.999 0 50 CCAA COc1ncc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cn1 1129074738 UWVZPMYRTISVRG-KOLCDFICSA-N 262.313 0.261 0 50 CCAA C=CC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 848979322 UBRHDXVTNZPAPO-AWEZNQCLSA-N 273.336 0.543 0 50 CCAA CCCn1ccnc1CN1CCN(C)[C@H](C(=O)O)C1 67692860 NRLOFTGODQUKIU-NSHDSACASA-N 266.345 0.494 0 50 CCAA NC(=O)c1csc(N2CCC3(CCNCC3)C2)n1 67587318 GRAJKLDTOCVRNH-UHFFFAOYSA-N 266.370 0.822 0 50 CCAA C[C@H]1[C@@H](NCc2cn(C(C)(C)C)nn2)CCS1(=O)=O 329191402 RLPABSCEQAOAPT-ONGXEEELSA-N 286.401 0.698 0 50 CCAA O=C(O)CC[C@@H]1CCCCN1C(=O)CN1CCOCC1 426503924 DDPLQYBAKUHXSJ-LBPRGKRZSA-N 284.356 0.565 0 50 CCAA CC1(C)C[C@@H](O)CCN(c2ccc(S(N)(=O)=O)cn2)C1 450860737 XRPOOVCQSIYUGE-JTQLQIEISA-N 299.396 0.716 0 50 CCAA Cn1cc(CC(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)cn1 583619837 NMSZGGCIBQHFEB-ZJUUUORDSA-N 290.289 0.843 0 50 CCAA CN(C)[C@H]1C[C@H](C(=O)NC[C@H](O)COc2ccccc2)C1 2325784750 HFWIGZJWHXGQRP-IHRRRGAJSA-N 292.379 0.883 0 50 CCAA Cn1c(NCCc2ccccc2)cc(=O)n(C)c1=O 267668 XUGVMBMQHABPQC-UHFFFAOYSA-N 259.309 0.739 0 50 CCAA CS(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1 798099 BAIWQRGOMYIIEI-UHFFFAOYSA-N 297.380 0.369 0 50 CCAA Cc1cc(C)n(CCN=c2nc3ncn(C)c3c[nH]2)c(=O)n1 2356146932 ANXMBMMOUBBZRY-UHFFFAOYSA-N 299.338 0.071 0 50 CCAA CCc1ccc(NC(=O)C(=O)NCCCO)cc1 2025188 CMXCQKQZCUQYOU-UHFFFAOYSA-N 250.298 0.686 0 50 CCAA Cc1nc2ccc(C(=O)N3C[C@@H]4CNC(=O)[C@@H]4C3)cc2o1 2356168087 OTJYDHOLZYLFQN-WDEREUQCSA-N 285.303 0.954 0 50 CCAA C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12 3959242 HGGAKXAHAYOLDJ-FHZUQPTBSA-N 285.321 0.374 0 50 CCAA world COc1ccccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 4187199 PVPOPMOURKXIKH-JTQLQIEISA-N 299.348 0.377 0 50 CCAA C[C@H]1CCCN(c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1 4818610 RSADGNHRYVKPIG-QMMMGPOBSA-N 277.328 0.197 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2ccn3ccnc3c2)N(C)C1 332111379 GYTDFYABIXRKMT-STQMWFEESA-N 288.351 0.670 0 50 CCAA Cc1cccc(NC(=O)NCC(=O)N2CCOCC2)n1 124042156 GWUNCSIEUVKDQR-UHFFFAOYSA-N 278.312 0.370 0 50 CCAA C[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H](C)N1 153941667 QIFVNBMZCLKRMP-PHIMTYICSA-N 250.346 0.562 0 50 CCAA COc1cccc([C@@H]2C[C@H](O)CN2Cc2nnnn2C)c1 331617061 OEGAPKUGMUMARI-AAEUAGOBSA-N 289.339 0.527 0 50 CCAA CC[C@@H](COC)NC(=O)N1CC(=O)N(C2CC2)C1 331753981 HTMTVGCTLDMHMO-VIFPVBQESA-N 255.318 0.385 0 50 CCAA CCOC1CN(C(=O)N[C@H]2CC(=O)N(CC)C2)C1 331769661 LIUKICNQOXLJPD-VIFPVBQESA-N 255.318 0.038 0 50 CCAA C[C@@H]1C[C@@H]1c1cc(NC(=O)[C@H]2CN(C)CCO2)[nH]n1 246181590 HIZBZHIUPQRQGR-WCABBAIRSA-N 264.329 0.802 0 50 CCAA NC[C@@H](NC(=O)C[C@H]1COCCN1)C1CCCCC1 262242161 RPZXNJWHKWIYRK-QWHCGFSZSA-N 269.389 0.389 0 50 CCAA NC(=O)c1cccc(CNC(=O)CCn2ccnc2)c1 337990181 FTXIVBVLEOOQTD-UHFFFAOYSA-N 272.308 0.689 0 50 CCAA O=C(CN1Cc2ccccc2C1)N[C@@H]1COCC[C@H]1O 219800668 KILATJGFATXVKV-ZIAGYGMSSA-N 276.336 0.268 0 50 CCAA CSc1ncccc1C(=O)NCCc1ncnn1C 87450316 TVKOVRZYRPIQDS-UHFFFAOYSA-N 277.353 0.905 0 50 CCAA Cc1nc(C)n(CCCNC(=O)c2n[nH]c3c2CCC3)n1 426500069 HVIGZYHTMXDNQS-UHFFFAOYSA-N 288.355 0.927 0 50 CCAA CN1CCCCC[C@@H]1C(=O)NCCSc1ncn[nH]1 91725685 VOVPMTVLVGBQSK-SNVBAGLBSA-N 283.401 0.887 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@]13CCC[C@]53[C@H]42 248045440 PMEPXPVQINDYQV-CQWVMHPJSA-N 257.293 0.120 0 50 CCAA CC1CCC(O)(CN2CCC([C@H](O)C(N)=O)CC2)CC1 299748787 IEABSJNWLVJYIZ-QRJNDHJOSA-N 284.400 0.486 0 50 CCAA Cc1nn2c(=O)c(=Cc3ccc(F)cc3)sc2nc1=O 254606657 NKHHRBILOYKMRQ-UHFFFAOYSA-N 289.291 0.506 0 50 CCAA O=C1COc2cc(C(=O)NCCc3cn[nH]c3)ccc2N1 356999216 IZCPUNQLSZPKEG-UHFFFAOYSA-N 286.291 0.713 0 50 CCAA O=C(C1CCOCC1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299796407 OBMRUTBXFPSJQW-STQMWFEESA-N 292.339 0.377 0 50 CCAA O=C(N[C@@H]1C[C@H]2C[C@@H](C(=O)O)C[C@H]21)c1ccncn1 1875306177 WPPOECOOKMGSSI-TURQNECASA-N 261.281 0.706 0 50 CCAA NC1CCN(C(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)CC1 1875311990 FOFVAOBBUAJKTE-LLVKDONJSA-N 289.383 0.668 0 50 CCAA CCCNC(=O)Cc1noc([C@@H]2CCc3nn[nH]c3C2)n1 952891996 BMUZXIWNMIWVQF-MRVPVSSYSA-N 290.327 0.529 0 50 CCAA Cc1ccnn1CC(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 886988355 KIWVWOHRERKQPC-VXGBXAGGSA-N 279.340 0.238 0 50 CCAA Cc1cc(CO)oc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 888095204 TUDQIBUUJJCGTH-YPMHNXCESA-N 292.335 0.867 0 50 CCAA CC(C)(C)OC(=O)NC[C@@H]1CNC[C@@]1(F)C(=O)O 1772715828 WGPNHLMFUYSENG-CPCISQLKSA-N 262.281 0.523 0 50 CCAA O=C1CC[C@H](N2Cc3ccc(C(=O)O)cc3C2=O)C(=O)N1 958536950 VYEOSXYFNDBTHT-JTQLQIEISA-N 288.259 0.146 0 50 CCAA O=C(Cn1ncnn1)N1CCN(c2ccccc2)CC1 1772113458 XVJLTSICNAKFSN-UHFFFAOYSA-N 272.312 0.022 0 50 CCAA O=C(c1cn2cccnc2n1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 1337251203 CARXXSOPQXSNJE-YRRQLQLVSA-N 282.303 0.755 0 50 CCAA COc1nn(C)cc1CNC(=O)[C@]12CC[C@H]1CNC2 1343055305 NVLYQRFDRLBTHC-GWCFXTLKSA-N 264.329 0.045 0 50 CCAA Cn1cc([C@H]2CN(C3CCOCC3)C[C@H]2CC(=O)O)nn1 1565525818 MKIBFBCJWBIHOA-PWSUYJOCSA-N 294.355 0.484 0 50 CCAA COC[C@H]1[C@H](NC(=O)c2cnc(OC)nc2)[C@H]2CCO[C@H]21 1565505691 UFIADUQNRFZOPT-WRWGMCAJSA-N 293.323 0.265 0 50 CCAA O=C1CCC[C@@H]2[C@H]3CCCN4CCC[C@@](O)(CN12)[C@@H]34 56874346 VQYBAEAOOJBSTR-QHSBEEBCSA-N 264.369 0.987 0 50 CCAA biogenic,in-vitro O=C(NCCOc1cccc(Cl)c1)[C@H]1C[C@@H](O)CN1 276586562 DCOACMXEFFBNER-ZYHUDNBSSA-N 284.743 0.558 0 50 CCAA CNC(=O)CNC(=O)c1cnc(-c2ccco2)s1 171430322 DZOUYHATIFYPJP-UHFFFAOYSA-N 265.294 0.879 0 50 CCAA C[C@H]1CN(C(=O)[C@H](c2cncn2C)N(C)C)C[C@@H](C)O1 280730716 IOFBQGVDPIWYQB-LOWVWBTDSA-N 280.372 0.659 0 50 CCAA C[C@@H]1C(=O)NCCN1C(=O)c1cccc(C(=O)O)c1 110672877 MRRCZHAOOTVNCF-MRVPVSSYSA-N 262.265 0.345 0 50 CCAA Cc1ccc(CCNC(=O)N2CC(=O)N[C@H](C)C2)o1 655054517 IEDLJXHMTMWDNV-SECBINFHSA-N 265.313 0.660 0 50 CCAA O=C(O)[C@H]1[C@H]2CN(C(=O)CCn3ccnc3)CC[C@H]21 721220671 FIRQJAQPDNGRJP-JFGNBEQYSA-N 263.297 0.452 0 50 CCAA COCCCn1cnnc1CNc1nc[nH]c2ncnc1-2 1506418055 UUJNZORHTZMZFM-UHFFFAOYSA-N 288.315 0.545 0 50 CCAA CN(C)C(=O)c1cccc(N(C)CCN2CCOCC2)n1 1529095750 WEPPCCSYQAGHMM-UHFFFAOYSA-N 292.383 0.552 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)C3(N)CCCC3)C[C@H]2O)on1 1704339466 HWLNDHNYPZBGLV-DGCLKSJQSA-N 293.367 0.616 0 50 CCAA Cc1ncc(CN(CCO)C(=O)c2nn(C)cc2Cl)[nH]1 1704327330 BQBYXYQSPIJNRN-UHFFFAOYSA-N 297.746 0.740 0 50 CCAA COC[C@H]1CCN1C(=O)C(C)(C)c1cnn(C)c1 578239497 HJKNCLLOLGYDIR-LLVKDONJSA-N 251.330 0.945 0 50 CCAA O=C1NCC2(CN(C(=O)COc3cccc(F)c3)C2)O1 1615579596 NQQHBEXHVPNENQ-UHFFFAOYSA-N 280.255 0.525 0 50 CCAA Cc1ncc(CO)c(CN[C@H]2CC=CC[C@@H]2C(N)=O)c1O 1615697452 VYBWKWPUYXDKBJ-AAEUAGOBSA-N 291.351 0.498 0 50 CCAA O=C(O)c1cnc(N2C[C@H]3[C@H](C2)C3(CO)CO)c(Cl)c1 1772815747 ZURNTYKOLFVHSF-IUCAKERBSA-N 298.726 0.470 0 50 CCAA CN1CCOC[C@H]1C(=O)NCc1cccn2nccc12 1772813361 YLMCUOZVHFSGFC-ZDUSSCGKSA-N 274.324 0.281 0 50 CCAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)NCCCN1CCCC1=O 12343431 IOAYAFXPDNRAHS-NEPJUHHUSA-N 294.351 0.782 0 50 CCAA Cc1ccccc1CS(=O)(=O)NCCN(C)C 13669607 AFJKEKIATMMBRE-UHFFFAOYSA-N 256.371 0.976 0 50 CCAA COc1cnc(C)cc1C(=O)NCCOc1nonc1C 1857673606 WRGBXTOCJPMDTH-UHFFFAOYSA-N 292.295 0.899 0 50 CCAA Cc1cc(NC(=O)CN2CCC[C@H](C)[C@H]2C(=O)O)n(C)n1 424265860 IMQYYCGBHPIRME-ZANVPECISA-N 294.355 0.852 0 50 CCAA CC(C)c1nncn1CCNC(=O)[C@@H]1NCCC1(C)C 662739175 MOJSNTQRMIJUAZ-NSHDSACASA-N 279.388 0.906 0 50 CCAA COc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)cc1 1704315982 HRVLVSRIXUNTHS-KGLIPLIRSA-N 290.363 0.984 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CCO[C@@H](COC)C2)n1 823744783 ZQKBHOQELZWNNH-LLVKDONJSA-N 297.359 0.163 0 50 CCAA COc1ccccc1CCC(=O)N[C@H]1CCNC[C@@H]1O 222511791 HWTCYVXAXHSEIP-STQMWFEESA-N 278.352 0.467 0 50 CCAA O=C(O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 225457128 KPFQUQPBVAIASO-LNFKQOIKSA-N 253.298 0.877 0 50 CCAA CN(C)CCCN(C)[C@H]1CCCN(S(C)(=O)=O)C1 12441463 OZOQFQGWTVVZDC-LBPRGKRZSA-N 277.434 0.294 0 50 CCAA Cc1nn(C)cc1C(=O)N(C1CC1)[C@H](C)C(=O)O 262666072 VUSHBXICSOXNQY-MRVPVSSYSA-N 251.286 0.806 0 50 CCAA Cc1ncc(S(=O)(=O)N[C@H]2CC[C@@H](CO)C2)s1 295882112 ZSPWJLHKBACTMF-BDAKNGLRSA-N 276.383 0.891 0 50 CCAA Cc1nnc(CN(C)C[C@H](C)N2CCOCC2)s1 299774720 FXBVUAKFZDSMDP-JTQLQIEISA-N 270.402 0.999 0 50 CCAA NS(=O)(=O)[C@H]1CCCN(C(=O)CCc2ccncc2)C1 330512036 KCIPWHOGDIZCDI-LBPRGKRZSA-N 297.380 0.294 0 50 CCAA C[C@H]1CC(=O)NCCN1C(=O)COc1ccccc1O 363517637 LQZGKTMMDAPOPD-JTQLQIEISA-N 278.308 0.508 0 50 CCAA Cc1occc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 885307396 UMAGEDOVHHGIID-VIFPVBQESA-N 272.326 0.339 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@H](CCCCN)C(N)=O)cc1 3874369 VXJGTHYSPVFPJE-GFCCVEGCSA-N 299.396 0.256 0 50 CCAA Cc1nnc(NC(=O)CSc2nc(N)cc(=O)[nH]2)s1 4678351 LDLSFQQWPGJJIR-UHFFFAOYSA-N 298.353 0.243 0 50 CCAA O=C(NCCc1nc(-c2ccccn2)no1)[C@@H]1CCOC1 20907968 IRIOALLBBSVEPI-SNVBAGLBSA-N 288.307 0.827 0 50 CCAA O=C1CCC(CCC(=O)N2[C@H]3CC[C@@H]2CCNC3)=NN1 65424980 YDTJYCRNYMYZRM-NEPJUHHUSA-N 278.356 0.386 0 50 CCAA COC[C@H](OC)[C@@H]1O[C@H](OC)[C@@H](OC)[C@@H]1OC 25626332 MWCGWFVDFLEGFY-HHKYUTTNSA-N 250.291 0.049 0 50 CCAA CC(C)(C)c1n[nH]c([C@@H]2CN([C@H]3CCOC3=O)CCO2)n1 257366359 UPUAABFWKWHLOA-UWVGGRQHSA-N 294.355 0.791 0 50 CCAA O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1ccncc1 154331850 ALDXXCLMRWTKMJ-UHFFFAOYSA-N 296.290 0.463 0 50 CCAA CCS(=O)(=O)NCC(=O)NCC1C(C)(C)C1(C)C 331749943 JPLGSIMQQSKMAD-UHFFFAOYSA-N 276.402 0.724 0 50 CCAA CN(Cc1cccn1C)C(=O)[C@@H]1CCc2nncn2C1 342937374 PBJCFTLWGAUGFU-LLVKDONJSA-N 273.340 0.838 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@@H]1CCCCN1CCO 493815710 GGEIHYIASINTPH-IYNGYCSASA-N 269.389 0.067 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1ccc2c(c1)CCO2 129431599 YVKFIOLLOGTBFR-LBPRGKRZSA-N 291.303 0.937 0 50 CCAA COC(=O)CCN1CCN(CCC(=O)OC)[C@H](C)C1 71771298 UBIXDAFJOIMGPZ-LLVKDONJSA-N 272.345 0.119 0 50 CCAA Cc1ccncc1C(=O)N1CCN(C(=O)N(C)C)CC1 336399886 LGDPDVDJJLRDDG-UHFFFAOYSA-N 276.340 0.829 0 50 CCAA CN1C2(CCC2)COC[C@]1(CO)CNCc1ccncc1 527751298 AULOUOICZOWXKX-MRXNPFEDSA-N 291.395 0.787 0 50 CCAA Cc1nnc2c3ccccc3c(N(C)CC(N)=O)nn12 339970922 DUKKIPLTKDTSEX-UHFFFAOYSA-N 270.296 0.507 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@H](O)CC2)c(=O)n(C)c1C 426712148 NUGCHGPXSTXLDG-GFCCVEGCSA-N 278.352 0.989 0 50 CCAA O=C(CN1CCOC1=O)NC[C@@H]1COc2ccccc2C1 91987984 CKLKQHTUWQONPZ-LLVKDONJSA-N 290.319 0.806 0 50 CCAA CCn1cc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cn1 91504333 XLQBQAIDRIMMQL-HNNXBMFYSA-N 290.367 0.988 0 50 CCAA CNC(=O)c1noc(CN(C)[C@H](C)Cc2cnccn2)n1 244673727 HUMHESMJGKQUPK-SECBINFHSA-N 290.327 0.282 0 50 CCAA CCN(Cc1nccn1C)C(=O)[C@H](C)Cn1cncn1 244884057 YEKJKCNSOPRAJF-LLVKDONJSA-N 276.344 0.696 0 50 CCAA O=C(c1cc(C2CC2)on1)N1CCN2C(=O)CC[C@H]2C1 252549737 RUCGAAHVUFGZOR-JTQLQIEISA-N 275.308 0.999 0 50 CCAA C[C@@H]1CN(S(=O)(=O)NC[C@H](N)c2ccccc2)CCO1 299738662 DVYQZDLPFHUCPT-YPMHNXCESA-N 299.396 0.242 0 50 CCAA O=C(CN1CCCC1=O)NCC[C@@H]1CCCOC1 529595401 ABZVBZOXOSIJOL-NSHDSACASA-N 254.330 0.542 0 50 CCAA COC(=O)C(C)(C)NC(=O)c1ccc(C(N)=O)o1 269523257 YBUJCUZSTNORFY-UHFFFAOYSA-N 254.242 0.060 0 50 CCAA CCc1c(C)nn(CC(=O)N[C@@H](C)C(=O)O)c1C 534590202 YHOGNUFZUFKPOZ-QMMMGPOBSA-N 253.302 0.652 0 50 CCAA CCC[C@H](CN=c1[nH]cc(F)c(=NC)[nH]1)N(C)C 534590050 RZMHIOHQOFUAJQ-SECBINFHSA-N 255.341 0.643 0 50 CCAA COC(=O)c1cc(O)cc(C(=O)N[C@H]2COC[C@@H]2OC)c1 534653061 KPNLRUCCGPBVNR-RYUDHWBXSA-N 295.291 0.322 0 50 CCAA CCS(=O)(=O)NC[C@H](C)NCC1(CO)CCC1 828686005 UORZRKZDHUQHNH-JTQLQIEISA-N 264.391 0.066 0 50 CCAA CC(C)c1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1 585136697 PUZGLLUIQHIMKN-UHFFFAOYSA-N 281.341 1.134 0 50 CCAA Cn1cnnc1CCn1cnc2cccc(F)c2c1=O 584889595 JDXYHILYNAJRHU-UHFFFAOYSA-N 273.271 0.907 0 50 CCAA Cc1ccnc(O)c1C(=O)N[C@H]1CCNC(=O)CC1 1451797533 DFIVQTJULKHDTN-SECBINFHSA-N 263.297 0.494 0 50 CCAA Cc1noc(C[C@]2(O)CCCN(C(=O)C3CC3)C2)n1 1875266311 QPPRQIQZFGKXSX-CYBMUJFWSA-N 265.313 0.684 0 50 CCAA Cc1nc(C(=O)N2CCN(c3cnccn3)[C@@H](C)C2)no1 1875282732 QAWNEVYQJKSVGE-VIFPVBQESA-N 288.311 0.519 0 50 CCAA COC1(CC(=O)N=c2nc[nH]n2-c2ncccn2)CCC1 1875302701 CSEVZTAYSPKDPV-UHFFFAOYSA-N 288.311 0.377 0 50 CCAA COCCCN1CCC(CNC(=O)c2ccnnc2)CC1 952969530 OASQTFVKSOVIRA-UHFFFAOYSA-N 292.383 0.955 0 50 CCAA CC(C)C[C@@H]1CN(C)CCN1C(=O)CCc1cn(C)nn1 886599867 INKPSHHGNHFDLO-CQSZACIVSA-N 293.415 0.936 0 50 CCAA Cn1nncc1C(=O)NC(C)(C)[C@H](O)C(F)(F)F 1339123141 LPAIUFITFNNUIZ-ZETCQYMHSA-N 266.223 0.247 0 50 CCAA COC[C@H]1CN(c2ncnc(N)c2Cl)C[C@@H](C)O1 277964030 YNROIYLBRWBXOR-HTQZYQBOSA-N 272.736 0.952 0 50 CCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1cccnc1 1074605026 UHSJMMHQCPSKFF-ATGSNQNLSA-N 289.335 0.032 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)NCCC1=CCCC1 644407689 XFBCAXRUUPKIHL-CYBMUJFWSA-N 280.368 0.976 0 50 CCAA CC(C)C[C@H](C(=O)O)N1CCN(S(C)(=O)=O)CC1 577957718 FPBJJWARPRWFIX-SNVBAGLBSA-N 278.374 0.063 0 50 CCAA O=C1CC[C@H](N=c2[nH]nc(C3CC3)o2)[C@@H]([C@H]2CCCO2)N1 583057454 XFCSKSJVYHJKLV-UMNHJUIQSA-N 292.339 0.607 0 50 CCAA Cc1nc2c(c(NC[C@@H](C)S(N)(=O)=O)n1)CCCC2 679839184 OEQGPGNYSPVORG-MRVPVSSYSA-N 284.385 0.753 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N(CCO)Cc1ncc[nH]1 1704354380 DEMZORHFZJILGH-UHFFFAOYSA-N 275.312 0.256 0 50 CCAA CC[C@H](C)[C@H](NS(=O)(=O)[C@@H]1CCC[C@@H]1OC)C(=O)O 1615051378 HHZGHQWTPPXBOG-MMWGEVLESA-N 293.385 0.973 0 50 CCAA O=C([C@@H]1COc2ccccc21)N1CCO[C@@]2(CCNC2)C1 1616040510 NKUWHSOUZYCDHB-CZUORRHYSA-N 288.347 0.754 0 50 CCAA OCC1(CO)[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]21 1772804185 IMHVAMNHJISBFJ-CHWSQXEVSA-N 251.301 0.858 0 50 CCAA O=C(CN1CCN(Cc2ccco2)CC1)NC1CC1 20479638 DQIPGCYRBCHXRO-UHFFFAOYSA-N 263.341 0.676 0 50 CCAA CC(C)(C)OC(=O)CCOCCOCCOCCN 12953656 CWFSAZJIJBTKRC-UHFFFAOYSA-N 277.361 0.727 0 50 CCAA in-vitro COc1cc(C(=O)N2CCc3[nH]ncc3C2)nc(OC)n1 19741719 BPRWDFMOMUNUTG-UHFFFAOYSA-N 289.295 0.415 0 50 CCAA C[C@@H]1CN2C[C@@H](NC(=O)c3c(Cl)cnn3C)C[C@H]2CO1 1857718495 WVMFTIXFEQSKPJ-UTLUCORTSA-N 298.774 0.665 0 50 CCAA Cn1cncc1CN1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857718955 BJXVQYCTZZIQJP-OCCSQVGLSA-N 276.340 0.343 0 50 CCAA CO[C@@H](C(=O)N1C[C@@H](CO)OC[C@@H]1C)c1ccccc1 129314617 KDWNSWSICCVKTP-FPMFFAJLSA-N 279.336 0.982 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1ccc(-n2cncn2)cc1 238084156 ZRUNGRSBOJMDFP-GFCCVEGCSA-N 286.291 0.957 0 50 CCAA O=C(CN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)NCc1cccnc1 110648908 WGXKXWAZBLNTRR-LXTVHRRPSA-N 287.363 0.807 0 50 CCAA COc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)c(O)c1 112725360 YLLYZALDCXBGAV-VIFPVBQESA-N 288.307 0.737 0 50 CCAA CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C 12421591 HXKPBNACNIHGSI-UHFFFAOYSA-N 270.292 0.854 0 50 CCAA C[C@@](O)(CN1CCN(C(=O)C(=O)O)CC1)c1ccccc1 396766835 PNVQRPKCDWWKBP-OAHLLOKOSA-N 292.335 0.123 0 50 CCAA CCn1cc(CC(=O)N2CCCn3nccc32)nn1 931494981 ZQAPQSRORJMERN-UHFFFAOYSA-N 260.301 0.474 0 50 CCAA Cc1nn(C)c(C)c1CNCCC(=O)N1CCOCC1 159267674 YYJIJJVSJADKAM-UHFFFAOYSA-N 280.372 0.375 0 50 CCAA O=C(NC[C@]1(O)CCNC1)c1ccc2ncccc2c1 72166110 NAWPQKGRNHVYHO-HNNXBMFYSA-N 271.320 0.689 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1O)c1cccc2c1NCCC2 707048502 LIYHPSYYBULHHB-STQMWFEESA-N 276.336 0.924 0 50 CCAA Cn1cc(C(=O)N2[C@H]3CCC[C@@H]2C[C@H](O)C3)ccc1=O 2100541031 UAZZDVGYCBYYNX-ITGUQSILSA-N 276.336 0.903 0 50 CCAA O=C(c1cn[nH]c1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857736060 JCGCMGVDFQQKES-DVVUODLYSA-N 251.286 0.022 0 50 CCAA CC(C)n1ccc(-c2nc(N3CCNCC3)no2)cc1=O 2325773126 VVAGSUJDMOKJMO-UHFFFAOYSA-N 289.339 0.889 0 50 CCAA Cc1cc(Cl)c(S(N)(=O)=O)cc1OCC(N)=O 386189 XESNAIMEXVRGGD-UHFFFAOYSA-N 278.717 0.160 0 50 CCAA CNC(=O)CCC(=O)Nc1ccc(C(=O)OC)cc1 528554 COPBDAYDALOXLJ-UHFFFAOYSA-N 264.281 0.938 0 50 CCAA COCCCNC(=O)C(=O)Nc1cc(OC)ccc1OC 2856463 SHUSWSGRVFEVKA-UHFFFAOYSA-N 296.323 0.795 0 50 CCAA CCN[C@H](C)CNC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O 418283394 ROGDPSPZWQIUHX-GRYCIOLGSA-N 282.388 0.437 0 50 CCAA CCn1ccs/c1=N/C1=NCCN1CCN(C)C 102195247 DVTMMRVGJUTZSC-WYMLVPIESA-N 267.402 0.703 0 50 CCAA COC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100879873 UTXURUDFYYMZLC-AATLWQCWSA-N 264.281 0.150 0 50 CCAA Cc1o[nH]c(=N)c1S(=O)(=O)N[C@](C)(CN)CC(C)C 420455383 NBSDWKGWOKUBHB-NSHDSACASA-N 290.389 0.437 0 50 CCAA O=C(O)CCn1c(CCC(F)(F)F)n[nH]c1=O 65403462 AUMFKUVDBOWTNS-UHFFFAOYSA-N 253.180 0.541 0 50 CCAA C[C@@H]1CCCN(C(=O)CCN2CCNC(=O)C2)C1 65387914 HDYRCZDYIFSIGH-LLVKDONJSA-N 253.346 0.067 0 50 CCAA COc1cnc(C(=O)N2CCN(C)[C@@H](C(C)C)C2)nc1 350183059 CVYMQYPPTOWFHV-GFCCVEGCSA-N 278.356 0.897 0 50 CCAA C[C@H](O)CNS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 123157661 ISQDTIXEIQIODK-BBBLOLIVSA-N 250.364 0.180 0 50 CCAA O[C@]1(Cn2ccnn2)CCCN(c2cnccn2)C1 284843140 WXJIFYMNCRXMQU-GFCCVEGCSA-N 260.301 0.100 0 50 CCAA COC(=O)[C@@H](C)N(C(=O)CN(C)C(C)=O)C1CCC1 253427938 BJKGJOMZQNDZPY-SECBINFHSA-N 270.329 0.407 0 50 CCAA O=S(=O)(NC1CCCC1)C1CN(Cc2ccno2)C1 253431624 SNGJOIHXTCOOGE-UHFFFAOYSA-N 285.369 0.721 0 50 CCAA COC[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H](C)O1 284547707 DIPURVUEFLKMNS-AAEUAGOBSA-N 297.355 0.199 0 50 CCAA O=C(O)[C@H]1CN(Cc2ncc[nH]2)CCN(CC2CC2)C1 217468373 NQDJOBRIDFHSIF-GFCCVEGCSA-N 278.356 0.638 0 50 CCAA O=C1CC2(CN(c3nc4ccccc4s3)C2)NCCN1 606445134 WBPJOKFHBMFCRM-UHFFFAOYSA-N 288.376 0.965 0 50 CCAA Cc1nc(NCCc2cc(=O)[nH]c(C)n2)c2cnn(C)c2n1 72172542 MCTXNFGMWWQVTE-UHFFFAOYSA-N 299.338 0.718 0 50 CCAA O=C(NCCOCC(F)(F)F)c1ccc(CO)nc1 1540723394 UKKZGQUDYZUREZ-UHFFFAOYSA-N 278.230 0.883 0 50 CCAA O=C(COc1cccnc1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 219499953 DHOWEHNGRPQLMQ-VWUVDNNOSA-N 292.335 0.051 0 50 CCAA CCN1CCN(c2ncnc3c2c(C)nn3C)[C@@H](C)C1=O 72470231 ILLBLGBFNUCVAC-JTQLQIEISA-N 288.355 0.729 0 50 CCAA N[C@@H](CO)C(=O)N1CC(Oc2cccc(Cl)c2)C1 214953250 WLZISHMLGAWSRJ-NSHDSACASA-N 270.716 0.249 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)CN1CCOC1=O 219092273 PYUOCLULYVRBFL-SNVBAGLBSA-N 266.301 0.230 0 50 CCAA CN1C(=O)C[C@@H](NC(=O)N(C)C2CCCC2)C1=O 287141187 BHEOTDFFKLYTFN-SECBINFHSA-N 253.302 0.328 0 50 CCAA CN1C(=O)[C@]2(CCCN(CC(N)=O)C2)c2ccccc21 72128840 RFPWCQNKUBCFMX-HNNXBMFYSA-N 273.336 0.482 0 50 CCAA CC(=O)NCCC(=O)NCc1nc(C)c(C)s1 75334937 OEPYATGAEBGWIX-UHFFFAOYSA-N 255.343 0.902 0 50 CCAA CCN(Cc1cnn(C)c1)C(=O)[C@H]1CCNC(=O)C1 178047770 HPXXYTGPLZOVNX-NSHDSACASA-N 264.329 0.295 0 50 CCAA Cc1occc1C(=O)NN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 136688059 IXLCLBNAMNDOBU-DBIOUOCHSA-N 290.275 0.395 0 50 CCAA Cc1ccnc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)n1 95359877 ASGZRRURXCQUOC-STQMWFEESA-N 262.357 0.820 0 50 CCAA CC(C)N1CCC(CC(=O)NCc2cc(=O)[nH]cn2)CC1 95503573 IJPSHRCOGPMWPV-UHFFFAOYSA-N 292.383 0.897 0 50 CCAA O=C(Nc1cccc2[nH]nnc12)N1CCC[C@@H]1CO 96139372 DZUQXJSEGLVAEQ-MRVPVSSYSA-N 261.285 0.947 0 50 CCAA CCC(CO)(CO)NC(=O)[C@@H](c1ccc(C)cc1)N(C)C 91547771 KTEFGXCJSAMVKB-CQSZACIVSA-N 294.395 0.847 0 50 CCAA Cc1nc(NCCN(C)S(C)(=O)=O)c2cccnc2n1 95357155 IRXXEBPBUCHMQL-UHFFFAOYSA-N 295.368 0.637 0 50 CCAA C[C@H]1CN(C(=O)c2cnc(-c3ccncc3)nc2)CCN1 97463622 LIIBKRIROQBSAF-NSHDSACASA-N 283.335 0.973 0 50 CCAA C[C@H](NC(=O)c1ncn([C@H]2CCCNC2)n1)[C@@H]1CCCO1 299739321 NHNNMCHQRKUUDZ-SRVKXCTJSA-N 293.371 0.500 0 50 CCAA C[S@@](=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)O)cc1 299751227 PZNQMZIUFBAXBM-PRWKNARSSA-N 297.332 0.350 0 50 CCAA CC1=NO[C@@H](CNC(=O)NCCC(=O)OC(C)C)C1 864095372 IDLLYVVFUDFMDW-SNVBAGLBSA-N 271.317 0.792 0 50 CCAA Cc1cc(C(=O)N[C@H](C)CN2CCOCC2)c(O)cn1 534644875 RRRXPZXLANNETR-LLVKDONJSA-N 279.340 0.546 0 50 CCAA COc1cccc(N2CCC(N[C@H](CO)C(=O)O)CC2)c1 534575247 IAPVQCHNZIUMCD-CQSZACIVSA-N 294.351 0.699 0 50 CCAA CN(C[C@H]1CC1(C)C)C(=O)CN1C(=O)CN(C)C1=O 621054051 JGYAKPUBEVLWJH-SECBINFHSA-N 267.329 0.385 0 50 CCAA CN1CCCN(CCN2CCOCC2)CC12CCNCC2 823778359 LABZBNKJHOMLJE-UHFFFAOYSA-N 296.459 0.078 0 50 CCAA Cc1cnn(CC(=O)N(C)CCCCN2CCOCC2)c1 584889265 JHYJXVDGSRAZRV-UHFFFAOYSA-N 294.399 0.762 0 50 CCAA C[C@@H](NC(=O)CNS(C)(=O)=O)C1=CCCCC1 670469988 VUGIBVLLODXWOT-SECBINFHSA-N 260.359 0.541 0 50 CCAA Cn1c(C[C@H]2CCCC[C@H]2N)nn(Cc2ccon2)c1=O 685943242 UEVQPEGKKOKBOS-ZYHUDNBSSA-N 291.355 0.678 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N(C)CCCO 1875314059 FSLLLGDUPFOSJM-ZJUUUORDSA-N 281.356 0.897 0 50 CCAA CNC(=O)C[C@@H]1CN(c2ncc3ccccc3n2)C[C@H]1O 1875398479 RPZGCCNRLNUGIZ-DGCLKSJQSA-N 286.335 0.563 0 50 CCAA O=C(N[C@@H]1CCCNC1)[C@@H]1Cc2ccc(O)cc2CN1 1875337808 GKEXCZDRJNKISX-OCCSQVGLSA-N 275.352 0.275 0 50 CCAA C=CC(=O)NCC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C 1875301337 GGCNJGBRQCOXRA-GMSGAONNSA-N 280.246 0.467 0 50 CCAA CCn1nc(C)cc1C(=O)N[C@H]1CCO[C@H]1c1nc[nH]n1 952888938 QTRFWVMXKLLIQJ-GXSJLCMTSA-N 290.327 0.590 0 50 CCAA CO[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1c1cn(C)nn1 886085000 SCTJOODRLQYIGW-WCQYABFASA-N 289.339 0.706 0 50 CCAA Cc1cc(CN(C)C[C@H](O)COC[C@H]2CCCO2)no1 247921390 NVVWOHLFDIIPGC-UONOGXRCSA-N 284.356 0.971 0 50 CCAA O=C(Cn1nnc2ccccc21)N1CCN(C2CC2)C(=O)C1 1362391843 JOLQCXKZXJHHLD-UHFFFAOYSA-N 299.334 0.265 0 50 CCAA CNC(=O)c1ccc(NC(=O)[C@@H](N)COC)c(C)c1 167762835 VVQFUKGSJFSCNF-JTQLQIEISA-N 265.313 0.267 0 50 CCAA CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)O)CC1 42684479 AFDDQQRUJDNNQM-UHFFFAOYSA-N 298.364 0.540 0 50 CCAA in-vitro CC(C)N1C(=O)[C@H]2C=C[C@@H](C)[C@H](C(=O)O)[C@@H]2C1=O 216212725 HGUUWQAHRIKVEZ-XFWSIPNHSA-N 251.282 0.903 0 50 CCAA in-vitro CCOC(=O)C1(C(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)CC1 408187455 NQOXNJCSUHYIJF-AXFHLTTASA-N 267.325 0.559 0 50 CCAA COc1ncnc(OC)c1C(=O)NC[C@@H]1CCCCN1 408519252 GBAIKFLYXNXXNX-VIFPVBQESA-N 280.328 0.366 0 50 CCAA C[C@@H](N=c1[nH]c(C(=O)O)co1)c1nnc2n1CCCC2 570931164 DUOYHINVZACGSQ-SSDOTTSWSA-N 277.284 0.896 0 50 CCAA CO[C@@H]1COC[C@@H]1NC(=O)CCc1ccc(C(=O)O)cc1 668325509 VIGQURQCIXRLCM-QWHCGFSZSA-N 293.319 0.847 0 50 CCAA CC(C)n1cnc(S(=O)(=O)N2CCn3nncc3C2)c1 579859196 KNHGTWHGIRYGFD-UHFFFAOYSA-N 296.356 0.260 0 50 CCAA Nc1cc(NCCN2CCCC[C@@H]2CO)ncn1 1529089806 BDBGMMVUVGUWON-SNVBAGLBSA-N 251.334 0.318 0 50 CCAA CCN(C)C[C@H]1CCN(c2ccc3nnnn3n2)C1 608095095 ZDMMQZOXJKWPSY-SNVBAGLBSA-N 261.333 0.297 0 50 CCAA CC(C)n1ccc(C(=O)N[C@@H]2CC[S@](=O)C2)n1 408305570 LATFENQPPJTJFH-XLFHBGCDSA-N 255.343 0.715 0 50 CCAA CO[C@@H]1CCCN(C(=O)c2cnc(C)[nH]c2=N)C1 535047473 PAAOPOTZUKEILL-SECBINFHSA-N 250.302 0.449 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)[C@@H]1CCCOC1 128211726 KTGGAYRSQUVXNK-NXEZZACHSA-N 257.286 0.115 0 50 CCAA O=C(NOC1CCOCC1)[C@H]1CCCc2ccnn21 1875280653 IOSDFPGSRDDCGI-GFCCVEGCSA-N 265.313 0.987 0 50 CCAA CN1CCN(c2ccnc3c2cnn3C)C[C@]12CCOC2 1615593261 ZWPNFWZKTRSSKN-HNNXBMFYSA-N 287.367 0.879 0 50 CCAA O=C(NCCOC[C@@H]1CCOC1)[C@@]1(O)C[C@H]2CC[C@H]1C2 1615585593 DLDUGIZMPLDPMM-SFDCQRBFSA-N 283.368 0.707 0 50 CCAA Cc1ocnc1C(=O)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1615963482 PTNNKTGUVPWYEU-JQWIXIFHSA-N 288.307 0.449 0 50 CCAA CN1CC[C@@H]2CN(c3nnnn3-c3ccccc3)C[C@@H]2C1=O 1772816571 VRVYIULOXNKPNT-YPMHNXCESA-N 298.350 0.577 0 50 CCAA N=C1NC(=O)[C@H](CC(=O)Nc2ccc3c(c2)OCO3)S1 13154110 JJZUNHXDLYMTHO-VIFPVBQESA-N 293.304 0.910 0 50 CCAA CN1CCN(CCC(=O)Nc2nccs2)CC1 19811251 PQSQMEOKRXUPDA-UHFFFAOYSA-N 254.359 0.719 0 50 CCAA O=C(NCc1cn2ccncc2n1)[C@H]1CCn2nccc2C1 1875247112 XMCDWUYAPZPTEI-NSHDSACASA-N 296.334 0.805 0 50 CCAA O=C(Cn1ccc2ccccc21)N[C@H]1CCOC[C@@H]1O 629229082 NNZRKIAXBCFNSB-JSGCOSHPSA-N 274.320 0.907 0 50 CCAA CC(=O)N1CC[C@@](C)(C(=O)Nc2nc(C(N)=O)cs2)C1 369969208 IIUVLEFVRWVLMP-GFCCVEGCSA-N 296.352 0.439 0 50 CCAA CC[C@@H](NC)C(=O)NS(=O)(=O)c1cccc(C(C)=O)c1 901014092 NHUOMRXULPLSBC-GFCCVEGCSA-N 298.364 0.692 0 50 CCAA CC1(C)C(C)(C)C1(C(=O)O)C(=O)N[C@H]1CCCCNC1=O 901609221 GHLUKCCFLRCQOX-VIFPVBQESA-N 296.367 0.908 0 50 CCAA CCS(=O)(=O)N1CCN(Cc2ccco2)CC1 20190338 ZAMGZEJEWCZNTR-UHFFFAOYSA-N 258.343 0.747 0 50 CCAA Cc1ncc(CN2CCC[C@@](O)(Cn3ccnn3)C2)o1 862361225 QFYZRCZMGGNTHW-ZDUSSCGKSA-N 277.328 0.602 0 50 CCAA O=C(NCCNC1CCCCCC1)[C@@H]1COCCO1 211597817 KOIQMYDEZKWIGC-ZDUSSCGKSA-N 270.373 0.830 0 50 CCAA O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1 4335168 DKONCPVCBHSGAT-LBPRGKRZSA-N 277.299 0.363 0 50 CCAA N[C@@H](CO)CNC(=O)c1ccc(C(F)(F)F)cn1 386712292 XWPHFAOWOWCGSY-SSDOTTSWSA-N 263.219 0.150 0 50 CCAA CCN1CCn2c(nnc2[C@@H]2CCCCN2C)C1=O 2100477920 JZEDSTJJRQYUMB-JTQLQIEISA-N 263.345 0.911 0 50 CCAA C[C@@H]1CN(C2CC2)CCN1C(=O)CCc1nc(O)n[nH]1 2100482775 YFQAOAVAXVBUCL-SECBINFHSA-N 279.344 0.138 0 50 CCAA Cc1cncc(CNC[C@@H](O)C2(O)CCOCC2)c1 905189216 LZFLMGSFQXYELR-CYBMUJFWSA-N 266.341 0.382 0 50 CCAA Cc1cc(N2CCN(C)CC2)nc(N2CCOCC2)n1 73496 BMBIEKJDTGAZCY-UHFFFAOYSA-N 277.372 0.373 0 50 CCAA O=C1c2ccccc2[C@@](O)(c2ncc[nH]2)N1CCO 434622 FPKGFACPCBWBPQ-CYBMUJFWSA-N 259.265 0.051 0 50 CCAA COCCN1Cc2nnc(Cn3cccn3)n2[C@@H](C)C1=O 2356137170 RAJIPGMYVMPJNK-JTQLQIEISA-N 290.327 0.073 0 50 CCAA Cc1ncn(C)c1C(=O)N1CCC[C@]12CCCN(C)C2=O 2356167323 XGQPTVOJILNKKB-HNNXBMFYSA-N 290.367 0.956 0 50 CCAA CCN(CC)S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 229357146 FLYRKAXMEUXKSY-RYUDHWBXSA-N 275.418 0.789 0 50 CCAA CNC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 65362394 YQDRWNRVUHZDEQ-SNVBAGLBSA-N 270.354 0.896 0 50 CCAA CC[C@H](C)[C@H](NC(=O)[C@H]1CCC(=O)NC1)C(=O)O 123839366 YEPWIFMQOBSBOX-NRPADANISA-N 256.302 0.128 0 50 CCAA C[C@H](CN)CC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 237439459 SKDTVSLJOAEIBG-FZMZJTMJSA-N 280.372 0.479 0 50 CCAA COCc1nnc(C(=O)N(C)C[C@H]2CCCCN2C)o1 71760105 GBXYNOIWVLHEHN-SNVBAGLBSA-N 282.344 0.772 0 50 CCAA Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)on1 339061078 CPTBPEASFVNVCJ-CABZTGNLSA-N 276.296 0.977 0 50 CCAA NC(=O)[C@@H]1CCCCN1S(=O)(=O)NCc1ccccc1 72148741 FDMCDMFLQHZMKK-LBPRGKRZSA-N 297.380 0.361 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H](CN)c2ccccc2)C[C@@H](C)N1 179150019 TVTYVJRLAZINPH-BZPMIXESSA-N 261.369 0.938 0 50 CCAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)Cn1nnnc1N 223643401 VLLFGDZRCIXOQJ-VIFPVBQESA-N 291.315 0.224 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)NCCc1nncn1C(C)C 220666040 NLFHZIHBIVMLHO-JQWIXIFHSA-N 267.377 0.891 0 50 CCAA COC[C@H]1CCN(C(=O)Cn2nc3ccccc3n2)C1 223694385 UQVWRQJTLDLCOX-NSHDSACASA-N 274.324 0.926 0 50 CCAA O=C(O)C1(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 192984182 CEBQDVHTXMPGSB-UWVGGRQHSA-N 253.298 0.925 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1cccc(C(=O)O)c1 426716807 CJUZBQKBUSLMSH-RYUDHWBXSA-N 279.292 0.919 0 50 CCAA CN1CCN(CCC(=O)N2CCCC[C@@H]2CC(=O)O)CC1 426361860 ZSYLRTIHKYDZME-CYBMUJFWSA-N 297.399 0.480 0 50 CCAA Cc1cc(CC(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)on1 426628280 OAGIQLVGGBKAJM-LFSVMHDDSA-N 280.324 0.116 0 50 CCAA Cc1cc(C)n(CCNC(=O)[C@@H]2CCCN2C(N)=O)n1 96150079 HWTZLERVFMQRPP-NSHDSACASA-N 279.344 0.159 0 50 CCAA CN(CCO)C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CO 91664357 XBYUFHURSCCURD-HZPDHXFCSA-N 278.396 0.651 0 50 CCAA CCN(Cc1ccccc1OCCO)[C@H]1COC[C@@H]1O 97475135 QOMLTNOZBQPKHP-KBPBESRZSA-N 281.352 0.639 0 50 CCAA CCCn1ncnc1CN1C[C@@H](OC)[C@H](c2cnn[nH]2)C1 621316894 GDSIDAQKVAQBSJ-CMPLNLGQSA-N 291.359 0.421 0 50 CCAA CN(CC(=O)O)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1 299753822 ZMAHMVAYRNKBMG-UFBFGSQYSA-N 296.348 0.811 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)O 299747427 CZJGJEPIGWIFAF-NXEZZACHSA-N 288.369 0.523 0 50 CCAA C[C@@H](Cn1cncn1)NCC1(Cn2cccn2)CC1 534652386 NZANFPAZBMJNCI-LBPRGKRZSA-N 260.345 0.933 0 50 CCAA CC[C@H](NC(=O)Cn1cccn1)c1ncnn1CC 534588388 VMZAKHQDAPMLTK-JTQLQIEISA-N 262.317 0.762 0 50 CCAA O=C(NCCOCc1ccccc1)N1CC[C@@H](O)C1 534587192 RVSUGZTZVCWWII-CYBMUJFWSA-N 264.325 0.979 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)Cn1cccnc1=O 534584917 RZGSAEXVAXJISF-SNVBAGLBSA-N 290.327 0.122 0 50 CCAA O=C([C@H]1CNCCO1)N1CCC(Oc2ccncc2)CC1 299789294 ZOYNKZBDKKNLED-CQSZACIVSA-N 291.351 0.440 0 50 CCAA COCc1ccc(C(=O)NC[C@@H]2CN(C(C)=O)CCO2)o1 299782896 GTYBMRNYFGAHRC-GFCCVEGCSA-N 296.323 0.403 0 50 CCAA COc1nc(N2CCn3nc([C@H](C)O)cc3C2)ncc1F 824845467 QDLPUMUCMADPTJ-QMMMGPOBSA-N 293.302 0.894 0 50 CCAA CCCn1cnnc1[C@H](C)NS(=O)(=O)N(C)C(C)C 823031039 QDXUBYKCOZOZML-JTQLQIEISA-N 289.405 0.924 0 50 CCAA CC(=O)N1CCCC[C@@H]1C(=O)NCc1csc(N)n1 827731030 JHSSTZUYWZDRFW-SNVBAGLBSA-N 282.369 0.743 0 50 CCAA C[C@@H](C(=O)NC1CCS(=O)(=O)CC1)N1CCCC1 670450308 KBPPBRBRHJCQHX-JTQLQIEISA-N 274.386 0.164 0 50 CCAA CC(C)c1nccn1CCCNC(=O)[C@H]1CCN1 670448669 WPPQAXJUAYEFQQ-LLVKDONJSA-N 250.346 0.875 0 50 CCAA C=CC(=O)N1CCC(C(=O)NC[C@H](O)C(C)(C)C)CC1 1875369572 WMXVXJKJYUCZDX-LBPRGKRZSA-N 282.384 0.934 0 50 CCAA Cn1[nH]c(=N)cc1C(=O)OCC(=O)c1cscn1 1875356823 TXDNYZANYGSNRA-UHFFFAOYSA-N 266.282 0.329 0 50 CCAA Cc1nc2cccc(N)c2c(=O)n1C12CC(C1)C(=O)NC2=O 1875387094 NTIWCTCZQZUDBP-UHFFFAOYSA-N 298.302 0.049 0 50 CCAA O=C(Cn1cnnn1)N1COCC[C@H]1c1ccccc1 888183395 BOBXYXDPKJRAGA-LBPRGKRZSA-N 273.296 0.621 0 50 CCAA CC(C)OC[C@H](O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245387246 VPWXEIHDVHEICH-IJLUTSLNSA-N 267.325 0.724 0 50 CCAA Cc1cnc(S(=O)(=O)Cc2cc3n(n2)CCC3)[nH]1 1776004758 WSQMQKYLUCJAJJ-UHFFFAOYSA-N 266.326 0.835 0 50 CCAA CCn1cc(CNC(=O)C2CC(C)(C(=O)O)C2)nn1 1776006504 USFUUXREAYVNIK-UHFFFAOYSA-N 266.301 0.415 0 50 CCAA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2O)cc(C)n1 1565512993 KFSNQZFWBSLQFG-RYUDHWBXSA-N 250.298 0.578 0 50 CCAA Cc1noc(C)c1S(=O)(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1565511637 HFIRCWBZXWDIGE-UWVGGRQHSA-N 299.352 0.390 0 50 CCAA O=S(=O)(c1ccc(Cn2ccnn2)o1)N1CCCC1 672777087 ZBNVLHFKZOISRC-UHFFFAOYSA-N 282.325 0.704 0 50 CCAA CNC(=O)c1ccc(N(C)[C@@H](CO)CC(C)C)nn1 274585046 BFUPSAFUIAYVIN-SNVBAGLBSA-N 266.345 0.679 0 50 CCAA C[C@@H](OC(=O)c1n[nH]c2c1CCCCC2)C(N)=O 170608496 PRGFQHGCUYDSAP-SSDOTTSWSA-N 251.286 0.709 0 50 CCAA C[C@@H]1OCC[C@H]1C(=O)NC[C@H](n1cncn1)C(F)(F)F 633984208 LWFOMWRMOUAOKU-YIZRAAEISA-N 292.261 0.923 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1CC(OCCF)C1 585129900 AZSPKTWSECHIDY-UHFFFAOYSA-N 255.293 0.766 0 50 CCAA CCS(=O)(=O)NCC(=O)N1CCC[C@H]1C(C)(C)C 408008978 RLRZWOWZLYWRDN-JTQLQIEISA-N 276.402 0.963 0 50 CCAA CCc1nc(CN2CC[S@@](=O)CC[C@@H]2C)no1 408396663 UNGZUKDRXRDORW-XYZCENFISA-N 257.359 0.975 0 50 CCAA Cc1noc(C2CCC3(CC2)NC(=O)CN3C)n1 639413890 RKPOEPJWYJSENH-UHFFFAOYSA-N 250.302 0.794 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C)C(=O)C1 408474102 DZODYPGNOXOKRE-NEPJUHHUSA-N 268.357 0.882 0 50 CCAA CCn1ccc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)n1 1076070051 WWNHAYBWGSVLDJ-KGLIPLIRSA-N 288.355 0.840 0 50 CCAA Cc1nc(CN2C(=O)NC3(CCNCC3)C2=O)cs1 77504303 GDOIRINGHHEDSB-UHFFFAOYSA-N 280.353 0.626 0 50 CCAA O[C@@H]1CCN([C@H]2CCC[C@H]2NCc2ccon2)C1 643960409 VMEFFBKQKMUJQW-UPJWGTAASA-N 251.330 0.752 0 50 CCAA CCN1C[C@@H](CNC(=O)[C@H](CC(C)(C)C)NC)CC1=O 653251377 XEJWHBSNIAICBJ-NEPJUHHUSA-N 283.416 0.995 0 50 CCAA NC[C@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@H]1C(=O)O 656854019 OBVJVEOOSHVDCG-UPJWGTAASA-N 274.320 0.792 0 50 CCAA COCC(COC)NC(=O)N1C[C@@H](C)[C@](C)(CO)C1 665035371 ODPJLFSSCGTVFI-MFKMUULPSA-N 274.361 0.308 0 50 CCAA O=C1NCCC[C@H]1N1CC[C@](O)(c2ccc(F)cc2)C1 777733867 KRVPPEHKROOQQJ-UKRRQHHQSA-N 278.327 0.998 0 50 CCAA Cc1ccn2c(NC(=O)[C@@H](C)Cn3cncn3)nnc2n1 1506427987 WKPQVGOBCINRKM-QMMMGPOBSA-N 286.299 0.299 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1cncc(F)c1 165201154 TXIFUBLQCZEMKF-SECBINFHSA-N 254.217 0.146 0 50 CCAA CSCCN1CCN(c2nc(C)nn2C)CC1 1704336287 KSUXSNLXCNZMOR-UHFFFAOYSA-N 255.391 0.609 0 50 CCAA Cn1cccc1C(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704349082 ZKOQHLYFYJMQLB-BXUZGUMPSA-N 286.335 0.491 0 50 CCAA CC[C@@H](C)N(CC(=O)O)C(=O)[C@@H]1CCC(=O)NC1 123636101 GCPFDCODIUCNKI-RKDXNWHRSA-N 256.302 0.224 0 50 CCAA c1nc2cncc(N3CCN(CCOC4CC4)CC3)n2n1 1615002498 IADWTVIUXXOCOD-UHFFFAOYSA-N 288.355 0.425 0 50 CCAA Cn1ccnc1COCC(=O)N[C@@]12CCC[C@@H]1NCC2 1615547014 MVTBCSKFMMGFPT-SMDDNHRTSA-N 278.356 0.338 0 50 CCAA CCCCNC(=O)[C@H]1CNC[C@@H](CN2CCOCC2)C1 14539030 NQLWIPYFQFDSPJ-UONOGXRCSA-N 283.416 0.461 0 50 CCAA O=C1C[C@H]2CN(C(=O)c3cn4ccsc4n3)C[C@H]2N1 1857694831 JZITXGAZBFWVOS-JGVFFNPUSA-N 276.321 0.356 0 50 CCAA Cc1cc(F)cc(C(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c1 1875250777 GPGHHKARYSWHAT-UMSGYPCISA-N 281.283 0.391 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)C2CCC(O)CC2)N(C)C1 408047528 HDUMLZBPYHJABN-YIOUJQMASA-N 284.400 0.715 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)c2ccc3c(c2)CCO3)C1 630251653 HPHGIPIRGOWRQE-HNNXBMFYSA-N 291.303 0.937 0 50 CCAA O=C(N[C@@H]1CCCn2nccc21)N1CCC[C@@](O)(CO)C1 637759927 ODIIACMHSRPQDX-RISCZKNCSA-N 294.355 0.247 0 50 CCAA CCc1c(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)ccn1C 643997302 DGASBKDWUGAACQ-OAHLLOKOSA-N 293.367 0.430 0 50 CCAA Cn1c(=O)c2cc(C(=O)N3CCCC3)sc2n(C)c1=O 12422732 WMHRGRCLQHKNSA-UHFFFAOYSA-N 293.348 0.535 0 50 CCAA Cc1ccc(C(=O)N2CCN(C(=O)C(=O)O)CC2)c(O)c1 396745110 LWTKWRZJUFEVDO-UHFFFAOYSA-N 292.291 0.070 0 50 CCAA c1nsc(N2CCN(C[C@@H]3CCC4(COC4)O3)CC2)n1 930630431 CGZSKESODVAHIU-NSHDSACASA-N 296.396 0.608 0 50 CCAA CCc1ccccc1S(=O)(=O)N[C@@H](CCO)C(=O)O 277235928 JTULZHFDCZBRMA-JTQLQIEISA-N 287.337 0.363 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)c3ncccc3O)[C@H]2C1 285070793 RLXBLCHNFGPTCN-JQWIXIFHSA-N 277.324 0.332 0 50 CCAA O=C(O)[C@]12COC[C@H]1CN(Cc1cnsc1)C2 1775979245 ZBWROYXPVZIDBZ-MWLCHTKSSA-N 254.311 0.676 0 50 CCAA CN1C(=O)[C@@H](C(=O)NC[C@H]2C[C@@H](O)C2)Cc2ccccc21 2325781116 MGKLRKOVWNQYIM-KGYLQXTDSA-N 288.347 0.709 0 50 CCAA O=C(NOC1CCC1)C1CN(c2ncc(F)cn2)C1 2325791550 OCEWUSYEYZOELH-UHFFFAOYSA-N 266.276 0.652 0 50 CCAA COCc1noc(CN2CCC[C@@]23CCCNC3=O)n1 2356149496 DGEUVGXOHOPPPG-CYBMUJFWSA-N 280.328 0.461 0 50 CCAA N[C@](C(=O)O)(c1ccc(P(=O)(O)O)cc1)C1CC1 2581414 IGODGTDUQSMDQU-NSHDSACASA-N 271.209 0.138 0 50 CCAA in-vitro Cc1nc(N2CCC[C@H]2C(=O)O)c2cnn(C)c2n1 416429869 XQTCMDQTJZEBBZ-VIFPVBQESA-N 261.285 0.725 0 50 CCAA Cn1nc(C(=O)Nc2cnc3n2CCCC3)ccc1=O 71278630 VFDWIDZKKPBRPD-UHFFFAOYSA-N 273.296 0.565 0 50 CCAA O=C([C@H]1CCC(O)=N1)N1CCO[C@H](COCC2CC2)C1 330131722 LBDDHBDRIGAJFH-NWDGAFQWSA-N 282.340 0.759 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](F)C[C@H]1CO 330562017 IWGVLHDYQCTYNL-RYUDHWBXSA-N 283.347 0.901 0 50 CCAA O=C([C@H]1CN(c2ncc(F)cn2)CCN1)N1CCCC1 72156951 GZCMJXOAWJZDOY-LLVKDONJSA-N 279.319 0.016 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCC[C@](O)(CO)C2)on1 72152382 BSPOAIZEKYSYLG-CQSZACIVSA-N 282.340 0.833 0 50 CCAA CCCCN1CCN(C(=O)c2cn[nH]c2)CC1=O 215322587 YDPXNNBCMCKDRU-UHFFFAOYSA-N 250.302 0.494 0 50 CCAA CCCc1cc(C(=O)N2CCO[C@H](C(=O)O)C2)[nH]n1 236898975 RBBLLJUABRNXQB-JTQLQIEISA-N 267.285 0.288 0 50 CCAA OCCOc1ccccc1CN1CCC[C@@](O)(CO)C1 72468606 MTIVAAOPBIBZSX-HNNXBMFYSA-N 281.352 0.377 0 50 CCAA Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2CCNC2)CC1 237606244 LQUCKRTYWPXTTN-CYBMUJFWSA-N 292.383 0.545 0 50 CCAA Cc1nc(CC(=O)N[C@H]2C=CS(=O)(=O)C2)cs1 77489269 QKYUJQDDKPPALL-QMMMGPOBSA-N 272.351 0.421 0 50 CCAA CCC[C@]1(C2CC2)NC(=O)N(CC2(CO)COC2)C1=O 374512343 GBPUZANPUZFXOW-CQSZACIVSA-N 282.340 0.496 0 50 CCAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC1Cc2ccccc2C1 336455280 GUSQDFMSCLGAKM-HUUCEWRRSA-N 288.347 0.252 0 50 CCAA COCCN1C[C@H](C(=O)N(C)Cc2ncc[nH]2)CCC1=O 91973677 ULJQZYQBPFZRJP-LLVKDONJSA-N 294.355 0.253 0 50 CCAA CCN1CCO[C@H](C(=O)N2CCOc3nc(C)ccc32)C1 181602985 VLIIIINJWBQDTL-ZDUSSCGKSA-N 291.351 0.836 0 50 CCAA CN(C)[C@H]1CCN(Cc2c[nH]cn2)C[C@H]1CCCO 91998074 YZOZFCQCDWYIQZ-OCCSQVGLSA-N 266.389 0.934 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)CCOC[C@H]2CCCO2)C1 299743928 QATBIGBONPGQNC-GHMZBOCLSA-N 271.313 0.505 0 50 CCAA C[C@H](CS(C)(=O)=O)N(C(=O)[C@@H]1C[C@H]1C(=O)O)C1CC1 299748211 GLHBBQUMLNEPDU-SZEHBUNVSA-N 289.353 0.131 0 50 CCAA CN1CCC(OCCCNC(=O)[C@@H]2CCCN2C)CC1 534630542 TVWBJGQZLHYBLH-AWEZNQCLSA-N 283.416 0.698 0 50 CCAA O=C(Cc1ccc(F)cc1)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1940197932 CGDSLCRVTRTARL-HBJVGIJOSA-N 281.283 0.012 0 50 CCAA CCOC1CCN([C@@H](C)CNS(=O)(=O)CC)CC1 823310773 LPPNHICFBFDJAX-NSHDSACASA-N 278.418 0.815 0 50 CCAA CC(C)(CN1CCCC1)NC(=O)CN1CCC[C@H](O)C1 828627391 LEPHKWQFPQTIPP-ZDUSSCGKSA-N 283.416 0.434 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)CC[C@H]2CCCO2)C1 630252738 OPLMXEHPEPWZPM-MFKMUULPSA-N 271.313 0.648 0 50 CCAA CCOC(=O)N1CC[C@H](NCCc2nc(CC)no2)C1 584899439 OXBGFGHCUOIQRN-JTQLQIEISA-N 282.344 0.995 0 50 CCAA COCc1nc(CC(N)=O)nn1CCc1ccccc1 670435519 GJXPIXGZLTVHRQ-UHFFFAOYSA-N 274.324 0.695 0 50 CCAA Cn1cc(Cl)nc(N[C@@H]2CCOC[C@H]2F)c1=O 1875328930 SUDSDJBNOHXRHY-RNFRBKRXSA-N 261.684 0.973 0 50 CCAA C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C(=O)NO[C@H]1CCOC1 1875259381 CWDFFTZVFMEFRN-VOAKCMCISA-N 296.367 0.860 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cnn2ccn(C)c12 1875333469 WOTKVYJIASWDHD-ONEGZZNKSA-N 262.269 0.132 0 50 CCAA CCN(CC)CCN1C[C@H](OC)C[C@H]1c1nncn1C 888076397 GDEYAEMMUODKDY-OLZOCXBDSA-N 281.404 0.919 0 50 CCAA C[C@]12CSC[C@H]1CN(C(=O)c1nnc(O)nc1O)C2 891184079 FSDZDSGLFFLITG-KBUNVGBDSA-N 282.325 0.108 0 50 CCAA CCCc1noc(CN(C)CCn2cncn2)n1 244716178 LJXJZQZPQCQDHX-UHFFFAOYSA-N 250.306 0.746 0 50 CCAA COC(=O)CN1C[C@@]23CCCC[C@]2(CN(C)C3)C1 1336888103 BRPKLPCMXJSWNS-KBPBESRZSA-N 252.358 0.967 0 50 CCAA COc1ccccc1OCC(=O)N1CCN(C)CC1 19759157 DFXQZWDFCNVZLM-UHFFFAOYSA-N 264.325 0.848 0 50 CCAA COc1cccc2c1OC[C@@H](NC(=O)c1cc(O)n[nH]1)C2 668171792 WYFMIKRBHVTTJS-VIFPVBQESA-N 289.291 0.857 0 50 CCAA O=C(CN1C[C@@H]2CCN[C@@H]2C1)NCc1ccccc1 85403015 RJCIISMRZDUGDF-UONOGXRCSA-N 259.353 0.597 0 50 CCAA Cc1nc(C(C)C)oc1C(=O)NN1CC(=O)NC1=O 1326427463 SPITWNCKBIXRLO-UHFFFAOYSA-N 266.257 0.303 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)ccn1 279455209 MKPXBEDMVXYRHC-NSHDSACASA-N 297.380 0.401 0 50 CCAA COCCN1CCC[C@H]1CNC(=O)c1cn[nH]c1 170808697 OPAHSWDWAZRAAK-NSHDSACASA-N 252.318 0.250 0 50 CCAA Cn1nnnc1CCNC(=O)N1CCC[C@H]1[C@@H]1CCCO1 671210650 VQNLZARVBSGDTJ-QWRGUYRKSA-N 294.359 0.106 0 50 CCAA COc1ccnc(N2CCN(C(=O)c3c[nH]nn3)CC2)c1 171564406 MUTXITNAZKYPAX-UHFFFAOYSA-N 288.311 0.171 0 50 CCAA COc1cccc([C@@H](C(=O)O)N2CCn3ncnc3C2)c1 634690715 RGGCEXWDECIRFR-ZDUSSCGKSA-N 288.307 0.928 0 50 CCAA c1nc2cncc(N3CCO[C@@]4(CCCOC4)C3)n2n1 672319084 PZNFUJXUKJCVSN-ZDUSSCGKSA-N 275.312 0.510 0 50 CCAA CO[C@]1(CNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)CCOC1 408336038 XVVDEYRARNBTCJ-RFHZTLPTSA-N 269.341 0.866 0 50 CCAA CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)[C@@H]1CC1(C)C 408360282 YOBINQLWGRPJOO-ZJUUUORDSA-N 276.402 0.817 0 50 CCAA C[C@](O)(CO)C(=O)N1CCOC2(CCCCC2)C1 408524079 XKQDZLLRMBJORO-LBPRGKRZSA-N 257.330 0.291 0 50 CCAA O=C(O)CC1CCN(C(=O)[C@@H]2COCCO2)CC1 110301342 WELIUGHHUVDNFB-JTQLQIEISA-N 257.286 0.115 0 50 CCAA CC(C)(C)OC(=O)NC[C@]1(C(=O)O)C[C@H]1S(C)(=O)=O 585139551 WWGZCQOWPXEVQH-RDDDGLTNSA-N 293.341 0.399 0 50 CCAA CC(C)[C@H](N)C(=O)N1CCOC2(CCOCC2)C1 195554441 JWRZATQMEYJERW-NSHDSACASA-N 256.346 0.378 0 50 CCAA CCNc1ccnc(N2CCOC[C@@H](CN(C)C)C2)n1 1506405864 IFQHIZCGENRXCT-LBPRGKRZSA-N 279.388 0.923 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)C(C)(F)F 818520245 ULHDRHVOVWYQRW-NSHDSACASA-N 264.272 0.395 0 50 CCAA Cc1nsnc1C(=O)N[C@H]1CCCCNC1=O 1857681220 CRRNPCGHIJBOHX-ZETCQYMHSA-N 254.315 0.245 0 50 CCAA O=C(c1cnc(C2CC2)nc1)N(CCO)Cc1ncc[nH]1 1704314657 WFEZNOAWLXCLEZ-UHFFFAOYSA-N 287.323 0.712 0 50 CCAA CN1CCc2cc(-c3nc4n(n3)COCCO4)cnc21 1875248488 UEEOWPBGMBBOAM-UHFFFAOYSA-N 273.296 0.699 0 50 CCAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(CC(N)=O)C1)CC2 1704301444 ZSZNLVVMECOFMN-HNNXBMFYSA-N 289.383 0.308 0 50 CCAA COc1ccc(C(=O)N2CCNCC2)cc1OC 6182239 FRFNGUVCNVCBFD-UHFFFAOYSA-N 250.298 0.749 0 50 CCAA in-vitro COc1cc(C)[nH]c(=NCC2CCN(C(C)=O)CC2)n1 605147463 BSYUHAQBQWYBRL-UHFFFAOYSA-N 278.356 0.886 0 50 CCAA CN(Cc1cccc2c1OCCO2)C[C@@H]1C[C@@H](O)CN1 1615570048 JPCAELLBTSITHE-QWHCGFSZSA-N 278.352 0.612 0 50 CCAA CCOc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)[nH]n1 1587193527 BTCGNLWDAANSDR-SNVBAGLBSA-N 266.345 0.975 0 50 CCAA Cc1ncsc1CN1C[C@@H]2[C@@H](C1)C2(CO)CO 1772807430 VZEPRPHTASYEGO-NXEZZACHSA-N 254.355 0.484 0 50 CCAA OCC1(CO)[C@H]2CN(C[C@H]3C[C@@H]4CC[C@H]3O4)C[C@H]21 1772709474 NQWXZLOFXHYIPC-RXGFPQBGSA-N 253.342 0.087 0 50 CCAA CN(C[C@H]1CCC(=O)N(C)C1)CC1(CO)CCOCC1 1775978924 QYFITYKKFIKOHY-CYBMUJFWSA-N 284.400 0.576 0 50 CCAA COC(=O)CCCCc1c(OC)nc(N)n(C)c1=O 5712789 DPTKDFCSPPZWPL-UHFFFAOYSA-N 269.301 0.257 0 50 CCAA Cn1c(=O)[nH]c(=O)c2c1nc1n2CCN1c1ccc(O)cc1 12422035 WEZIMXBPNJNZKV-UHFFFAOYSA-N 299.290 0.281 0 50 CCAA biogenic O=C(NCc1cccn2nccc12)[C@@H]1CCc2ncnn2C1 1857721203 DWOMNFAVARQOPV-GFCCVEGCSA-N 296.334 0.805 0 50 CCAA CC(=O)NCC(=O)N1CCCC[C@H]1c1ccnn1C 407959402 UMCNISMSONBCNQ-LBPRGKRZSA-N 264.329 0.610 0 50 CCAA CCc1cccc(OCCN2CCC[C@](O)(C(N)=O)C2)c1 225480958 YXSJOTATJYYKEJ-MRXNPFEDSA-N 292.379 0.940 0 50 CCAA CCOc1cc(N2CCO[C@@H](c3nncn3C)C2)ncn1 328632444 RVMMRQBQBMTBQH-SNVBAGLBSA-N 290.327 0.582 0 50 CCAA Cc1ccncc1N1CCN(C(=O)[C@H](C)NC(=N)O)CC1 330418856 WTDOZSLYXWLUIM-NSHDSACASA-N 291.355 0.509 0 50 CCAA O=C1NCC[C@H]1C(=O)N1CCOc2ccccc2C1 666868502 VVTINPZAJBSPPB-LLVKDONJSA-N 260.293 0.544 0 50 CCAA C=CC(=O)N(C)CC(=O)N(CC)Cc1cnn(C)c1 858841695 IIEDRCRDZOOEHD-UHFFFAOYSA-N 264.329 0.413 0 50 CCAA CON1CCC(NCc2ccc(CC(N)=O)cc2)CC1 926442757 JMWRWHNRSMCDNO-UHFFFAOYSA-N 277.368 0.830 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](CC(=O)O)C1 262411845 ACJNJZMCDNXLML-KXUCPTDWSA-N 257.286 0.114 0 50 CCAA O=C1COC2(CCN(c3ccnc4[nH]ncc34)CC2)CN1 2356142181 HRDDKSNWXMTKBX-UHFFFAOYSA-N 287.323 0.443 0 50 CCAA COC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 4867959 WUZXCDWGFCXKAL-UHFFFAOYSA-N 287.337 0.797 0 50 CCAA COc1ncc(CN2CCC(=O)NC[C@@H]2C)cn1 67773970 REWYABXARBSULA-VIFPVBQESA-N 250.302 0.196 0 50 CCAA C[C@H]1NCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H]1C 423591718 CNCYOIWSYGDGFB-NXEZZACHSA-N 297.380 0.156 0 50 CCAA CO[C@H]1CCCN(C(=O)C2(OC)CCNCC2)C1 151893188 XMEGRVMNWILXQW-NSHDSACASA-N 256.346 0.392 0 50 CCAA Cn1nc([C@@H]2CCCN2CCn2cccn2)nc1N 284396959 WDCIDUFFBLOSJS-JTQLQIEISA-N 261.333 0.431 0 50 CCAA Cc1ccc([C@@H](CC(=O)O)NS(=O)(=O)N(C)C)cc1 328590505 IPNDKHTWMGOWGC-LLVKDONJSA-N 286.353 0.907 0 50 CCAA Cn1cc(S(=O)(=O)NC[C@@H]2CCn3ccnc3C2)cn1 328635173 UPYHHSUZHVXEMN-SNVBAGLBSA-N 295.368 0.158 0 50 CCAA CC(C)N(C)S(=O)(=O)NCCCn1ccccc1=O 77609344 DBCMOCLJJLOSKB-UHFFFAOYSA-N 287.385 0.413 0 50 CCAA NC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2CSCN2)C1 156403463 SUZGMPHWXZKHDN-UWVGGRQHSA-N 271.386 0.153 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 285638226 FGIVGHLBSNJYGJ-RYUDHWBXSA-N 263.341 0.868 0 50 CCAA N[C@@H]1CC[C@@H]1NC(=O)c1scc2c1OCCO2 72169526 UHIYQLBJHGOZBX-RQJHMYQMSA-N 254.311 0.739 0 50 CCAA Cc1[nH]nc(CCC(=O)N2CC=C[C@H]2C(=O)O)c1C 426477414 OISAZDNNBIYYGM-NSHDSACASA-N 263.297 0.811 0 50 CCAA Cc1cnc(NCCN2CCC(CO)CC2)nc1 95363070 LIKOTGBIRIEQAO-UHFFFAOYSA-N 250.346 0.901 0 50 CCAA CCn1nc(C)c(CN2CCN([C@@H]3CCNC3)CC2)c1C 97655471 QKWTYCHGQJYTML-OAHLLOKOSA-N 291.443 0.999 0 50 CCAA Cc1cn(Cc2ncnn2C2CCCCC2)c(=O)[nH]c1=O 91737164 WDCYCDFTXBBYGE-UHFFFAOYSA-N 289.339 0.990 0 50 CCAA CO[C@]1(C)C[C@H](NC(=O)[C@@H]2COCCN2)C1(C)C 237271401 MUJRZYOMZLHQPE-OUJBWJOFSA-N 256.346 0.295 0 50 CCAA COCc1nc(Cn2ccc3ncccc3c2=O)no1 95382908 WMIHDLMLLXGGCP-UHFFFAOYSA-N 272.264 0.974 0 50 CCAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)CN1CSCC1=O 248127478 MCYADWASOYUBAP-VXGBXAGGSA-N 297.424 0.605 0 50 CCAA CC(C)CN1CCN(c2cncc(C(=O)N(C)C)n2)CC1 341382489 PTRJGKLSIFQHFA-UHFFFAOYSA-N 291.399 0.956 0 50 CCAA CC(=O)N1CC[C@H](C(=O)N2CCC[C@H](C)[C@H]2CN)C1 299739627 QRKKVDLIPYYAPK-WCFLWFBJSA-N 267.373 0.441 0 50 CCAA COc1ccccc1[C@H](O)CNC(=O)[C@]1(C)CCNC1 299740013 URWKJHSMQMOCOG-IUODEOHRSA-N 278.352 0.844 0 50 CCAA COC(=O)c1cc(CN2CCC[C@@]2(C)C(=O)O)on1 864095801 CYTOCAUSCNUCPW-LBPRGKRZSA-N 268.269 0.900 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1CCC(N)CC1 534671363 QWGPZODGXFVUFK-UHFFFAOYSA-N 272.374 0.323 0 50 CCAA O=C(CCCn1cnnn1)NC1(CO)CCCCC1 534586367 XLTWOIJDEAEIPQ-UHFFFAOYSA-N 267.333 0.265 0 50 CCAA Cc1oncc1C(=O)NCC1(CN2CCN(C)CC2)CC1 299758705 LDNFOWPEMGLKFH-UHFFFAOYSA-N 292.383 0.740 0 50 CCAA Cc1cnn(CC(=O)NCCN2CCCC[C@@H]2CO)c1 828710991 VACBPWGNBRCKIR-CYBMUJFWSA-N 280.372 0.155 0 50 CCAA CC(C)(C)OC(=O)NCc1cn(C2CNC2)nn1 585139242 LKBSJKRIESQPJP-UHFFFAOYSA-N 253.306 0.447 0 50 CCAA Cc1cc(C(=O)NC2CCS(=O)(=O)CC2)nc(C)n1 670470020 RUANHIWJUWPNSO-UHFFFAOYSA-N 283.353 0.400 0 50 CCAA CN(C(=O)N1CC[C@H](c2nn[nH]n2)C1)C1CCCC1 1875298000 LJFVUGBBMQVVLM-VIFPVBQESA-N 264.333 0.983 0 50 CCAA COc1cccc(O)c1S(=O)(=O)N[C@@H]1CCOC1 1875289598 CIUTXRWRQGGAIU-MRVPVSSYSA-N 273.310 0.468 0 50 CCAA O=S(=O)(NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1nccs1 1875297992 LCEMNRKJWHWDPN-CVPUBMOQSA-N 286.378 0.845 0 50 CCAA Cc1nc(C(F)(F)CNC(=O)CCc2ncc[nH]2)n[nH]1 1875267851 BHLCIHZUTJODII-UHFFFAOYSA-N 284.270 0.677 0 50 CCAA Cn1nc2c(c1C(=O)NC13CC(C(=O)O)(C1)C3)CCC2 1875286816 HVAJRJIBICVVPE-UHFFFAOYSA-N 275.308 0.646 0 50 CCAA Cc1c[nH]nc1CNCCCCCC(=O)NCCC(=O)O 1875299019 WASMKMIFEJRPOE-UHFFFAOYSA-N 296.371 0.959 0 50 CCAA CN(C)C/C=C/C(=O)NCc1cc(O)nc(C2CC2)n1 1875377022 PVXUHMFJGQSVGF-ONEGZZNKSA-N 276.340 0.794 0 50 CCAA COC[C@@H]1COCCN1C(=O)Cn1ncc2cccnc21 886855181 JKHWOCUZVMPORM-GFCCVEGCSA-N 290.323 0.305 0 50 CCAA CCn1cncc1CN1C[C@@H](OC)[C@H](c2cn(C)nn2)C1 888078226 BAXOZTXJUCHBIR-GXTWGEPZSA-N 290.371 0.646 0 50 CCAA C[C@](Cn1cccn1)(NC(=O)C1CCCCC1)C(N)=O 889646214 HQXBFMUUGHFDNB-CQSZACIVSA-N 278.356 0.824 0 50 CCAA CN(C)CCO[C@H]1COCC[C@@H]1NC(=O)c1ccncc1 1565512309 KVIKVCPHXQYJPD-KBPBESRZSA-N 293.367 0.547 0 50 CCAA CNC(=O)[C@H]1CCCN(c2nc(C)nc3c2cnn3C)C1 171943182 AZXQZKXPMQWNGF-JTQLQIEISA-N 288.355 0.634 0 50 CCAA Cc1nnc(CC(=O)N2CCO[C@H](C(C)C)C2)o1 408360220 SDVOBUBXYQOYAL-JTQLQIEISA-N 253.302 0.804 0 50 CCAA CC[C@H]1CN(S(=O)(=O)CC2CC2)CCN1C[C@@H](C)O 408428130 BGQPKQQNWOSIOD-YPMHNXCESA-N 290.429 0.503 0 50 CCAA Cc1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)c(O)c1 641993470 NZQABGDSOFYGGF-VIFPVBQESA-N 277.280 0.627 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)CCc1ccncn1 643853611 DYCOUPXYVKSNLH-CQSZACIVSA-N 293.323 0.501 0 50 CCAA CC/C=C/CNC(=O)CN1CCCC[C@@H](O)C1=O 644491491 HBWVEQNLSPGPHL-JOAKQRRISA-N 254.330 0.442 0 50 CCAA OC[C@@H]1C[C@H](O)CN1Cc1nc(C2CCCC2)no1 186499228 OSJMLBRXGXCLPF-QWRGUYRKSA-N 267.329 0.655 0 50 CCAA Cc1ccn2c(NC(=O)c3cnc(C)nc3)nnc2n1 1529126648 LLVMURLJEXUQDN-UHFFFAOYSA-N 269.268 0.783 0 50 CCAA COC(=O)c1cc(I)c[nH]c1=O 3884431 LGUKGFMYVHZDEB-UHFFFAOYSA-N 279.033 0.766 0 50 CCAA in-vitro CN1C[C@H]2COC[C@@H]1CN(S(=O)(=O)c1ccccc1)C2 1704307876 KZPDKGLGCHKSFI-OLZOCXBDSA-N 296.392 0.638 0 50 CCAA N[C@@H]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 1615048591 NTAIKFQGSBPXMI-DJLDLDEBSA-N 293.289 0.393 0 50 CCAA CCO[C@H]1C[C@@H](NC(=O)C2(N)CC(O)C2)C1(CC)CC 1616040448 KAXWRWSXROIVKC-OOLXCHQQSA-N 284.400 0.939 0 50 CCAA COC(=O)c1ccnc(NC(=O)[C@@H]2CCOC2)c1 265223535 NWBOBFIEZCLGNX-SECBINFHSA-N 250.254 0.843 0 50 CCAA CCOC(=O)[C@@H](C(C)=O)N1C(=O)c2ccccc2C1=O 5592274 YWTDPYHNFAPDLD-LLVKDONJSA-N 275.260 0.803 0 50 CCAA CC(C)O[C@H]1N=C(N[N+](=O)[O-])N(C)[C@@H]1OC(C)C 5023298 QNNQJPNPVQXHIJ-RKDXNWHRSA-N 260.294 0.571 0 50 CCAA COC(=O)C1=C(C(=O)OC)O[C@@](C)(OC)[C@](C)(OC)O1 5019698 SQVZHDVADPLUHY-VXGBXAGGSA-N 290.268 0.316 0 50 CCAA O=C(N[C@H]1COC2(CCNCC2)C1)c1ncc[nH]1 1857685028 AHQNMJRNEHQUMO-SECBINFHSA-N 250.302 0.051 0 50 CCAA CN1CC[C@H](NC(=O)Cc2cnnn2C)[C@@H]1c1ccccc1 613056465 GIOHUMCHLTXBAX-HOCLYGCPSA-N 299.378 0.919 0 50 CCAA Cc1nn2cccnc2c1C(=O)N1CC[C@@](C)(C(=O)O)C1 237626262 VZNCEIRTFWMIIM-CQSZACIVSA-N 288.307 0.975 0 50 CCAA Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)O)C2)cc1 1704303238 XIFPHSQSGSBLER-RYUDHWBXSA-N 299.348 0.451 0 50 CCAA CN1C(=O)CCC[C@H]1C(=O)N1CC(OC(F)F)C1 907583625 YSFKXFUEEFEXGQ-QMMMGPOBSA-N 262.256 0.447 0 50 CCAA Cn1cnnc1C1CCN(CC[C@H]2COCCO2)CC1 1775982115 HYZBRUNAGUSILF-ZDUSSCGKSA-N 280.372 0.800 0 50 CCAA CC(=O)c1cn(CCCOC(C)C)c(=O)n(C)c1=O 129311180 GRAODTOHELSUST-UHFFFAOYSA-N 268.313 0.565 0 50 CCAA C[C@@H]1CN(CCCN2C(=O)CNC2=O)CCCO1 170764543 WBGWAXRIMDAMNM-SNVBAGLBSA-N 255.318 0.039 0 50 CCAA N[C@H]1CCO[C@H](CN2CCc3ccccc3CC2)[C@H]1O 2100477244 VUABLOUQSHJQBG-XHSDSOJGSA-N 276.380 0.564 0 50 CCAA O=C1[C@@H](N=c2[nH]nc(C3CC3)o2)C[C@H]2CCCCN12 2325790500 QBVNKLPLQAUTNE-ZJUUUORDSA-N 262.313 0.934 0 50 CCAA Cc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)cc2nn[nH]c12 2325852058 REMCMODDPRFIHQ-SNVBAGLBSA-N 290.279 0.192 0 50 CCAA CC1(C)[C@@H](NC(=O)c2cccn3c(O)nnc23)C[C@H]1CN 2325854655 OJQQRWVBVFUDLK-WPRPVWTQSA-N 289.339 0.538 0 50 CCAA O=C(N[C@@H]1CCCNC1)c1cc2c([nH]c1=O)CCCC2 120358328 KFCILUXVLGOGGM-LLVKDONJSA-N 275.352 0.736 0 50 CCAA CCn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 4314105 JKJLETUKWLALKV-UHFFFAOYSA-N 275.312 0.323 0 50 CCAA O=C(Nc1cnc2[nH]cnn2c1=O)c1ccc(F)cc1 102811352 MQOGNIDJIHZTDS-UHFFFAOYSA-N 273.227 0.809 0 50 CCAA C[C@H](NC(=O)CC[C@H]1NC(=O)NC1=O)[C@H]1C[C@H]2CC[C@H]1C2 248379358 MPQYPNZYQQMICD-KKJSVHSVSA-N 293.367 0.916 0 50 CCAA O=C(O)C[C@H]1CN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CCO1 117636762 DSJCOZHWSPRCQI-BJDJZHNGSA-N 265.309 0.901 0 50 CCAA CCn1cnc(S(=O)(=O)NCC2(C(=O)O)CC2)c1 138944664 PZQJNTRZBIWSDQ-UHFFFAOYSA-N 273.314 0.046 0 50 CCAA CC(C)(C)c1n[nH]c([C@H]2CN([C@H]3CCOC3=O)CCO2)n1 257366360 UPUAABFWKWHLOA-VHSXEESVSA-N 294.355 0.791 0 50 CCAA CC(C)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)n(C)n1 236600513 XPXSCZQRNVNLBL-LLVKDONJSA-N 281.312 0.469 0 50 CCAA C=CC(=O)NCCC(=O)N(C)C(C)(C)C(=O)OC 490737613 ZZEJGKNQYRLPFT-UHFFFAOYSA-N 256.302 0.089 0 50 CCAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCc1cccnc1)C2 72128210 PNGJZIJULDYPLA-UHFFFAOYSA-N 298.346 0.991 0 50 CCAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1cn(C)c(Cl)n1 237538010 SQKUTOKAQRDMCQ-YUMQZZPRSA-N 292.792 0.574 0 50 CCAA Cn1ccc([C@H]2CCCCN2C(=O)c2cn[nH]n2)n1 72153555 VPFQIRYNJRRMMF-LLVKDONJSA-N 260.301 0.906 0 50 CCAA CN1C[C@H](CNC(=O)c2ccc(O)cc2F)OCC1=O 215811105 NCGQRJWZKCXXCA-VIFPVBQESA-N 282.271 0.118 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@H](C)c2nncn2C)n1 49097435 BSVQMDWVDXIGEG-SNVBAGLBSA-N 262.317 0.506 0 50 CCAA CC1=NO[C@@H](C(=O)NCCCc2nnc3ccccn23)C1 426555451 ICMOIUAWJVZOQF-LLVKDONJSA-N 287.323 0.943 0 50 CCAA CN(CC(=O)N1CCC(Oc2ccncc2)CC1)C(N)=O 426615651 ZVPSVGJSIDDJTK-UHFFFAOYSA-N 292.339 0.462 0 50 CCAA CN(C)CCn1ccc2c(cnc3ccnn32)c1=O 40387518 QAKATCTYCBGZSU-UHFFFAOYSA-N 257.297 0.606 0 50 CCAA COC(=O)C1=C(O)c2ccccc2S(=O)(=O)C1 44128240 JZUVOLFDJCQFGA-UHFFFAOYSA-N 254.263 0.916 0 50 CCAA CC(C)CN1CCN(Cc2cnc(N)nc2)C[C@H](O)C1 97117748 XPZBYCGLEZEIPI-CYBMUJFWSA-N 279.388 0.193 0 50 CCAA CCn1[nH]c(C)nc1=NC(=O)[C@H]1CCc2nc(C)[nH]c2C1 622106626 REGGOAVDUNAXGX-JTQLQIEISA-N 288.355 0.803 0 50 CCAA CCc1nccn1CCNC(=O)[C@H]1CC(=O)N(CC)C1 95355777 RKPYQTYEITZDRP-NSHDSACASA-N 278.356 0.430 0 50 CCAA COc1ccc(-c2cc(C(=O)NCc3nnn[nH]3)[nH]n2)cc1 91519395 SZBVBPYNZJDRNJ-UHFFFAOYSA-N 299.294 0.528 0 50 CCAA COC(=O)N1[C@H]2C=C[C@@H]([C@@H](C(=O)O)[C@@H]2C(=O)O)[C@H]1C 245247122 QAOKJXBCIUHDPZ-SYHAXYEDSA-N 269.253 0.413 0 50 CCAA Cc1cc(=O)n(CCN2CCn3nc(C)cc3C2)c(O)n1 253536738 MOLMRVYDAOHIJG-UHFFFAOYSA-N 289.339 0.278 0 50 CCAA CN1CCO[C@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)C1 534582592 YPEZEKCUTXVZSF-SSDOTTSWSA-N 292.261 0.489 0 50 CCAA CC(C)Cc1nc(CNC(=O)c2cncn2C)no1 299786758 QKAUXGGGJHOHMR-UHFFFAOYSA-N 263.301 0.932 0 50 CCAA O=C(CC1CCNCC1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 828896773 NWSNMBWIGDZBEJ-GJZGRUSLSA-N 295.427 0.434 0 50 CCAA CCc1nccn1CCCNC(=O)c1ccc2nnnn2c1 823557361 NGJAJGVKNHNGCU-UHFFFAOYSA-N 299.338 0.703 0 50 CCAA C[C@@H](CS(C)(=O)=O)NCC1(CN2CCOCC2)CC1 821381915 GQPSACXENOXNMQ-LBPRGKRZSA-N 290.429 0.122 0 50 CCAA Nc1ccnc(C(=O)NCCCN2CCCC[C@H]2CO)c1 828710752 AEXNBCFDCKHUQB-ZDUSSCGKSA-N 292.383 0.631 0 50 CCAA C1CC(NCC2(CN3CCOCC3)CC2)CCO1 827603731 GZESIKCGAFZKTN-UHFFFAOYSA-N 254.374 0.867 0 50 CCAA Cn1cnnc1CCC(=O)NCc1cc(C2CC2)n[nH]1 827823100 XBWCDXKVVOEQLA-UHFFFAOYSA-N 274.328 0.665 0 50 CCAA Cc1[nH]nc(CCC(=O)NC[C@H]2CN(C)CCN2C)c1C 584893520 ZAAWSKPXVGJLRR-ZDUSSCGKSA-N 293.415 0.321 0 50 CCAA Cc1ncn(CCNC(=O)[C@H](C)N2CCN(C)CC2)c1C 670471903 YFQSKTMUCFNLEJ-AWEZNQCLSA-N 293.415 0.252 0 50 CCAA C[C@@]1(C(=O)N[C@@H]2CC(=O)NC2=O)CCc2ccccc2C1 1875396600 ODLNBRZJADXZIX-MLGOLLRUSA-N 286.331 0.713 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCC1(CO)CC1 1875314207 MTVFQRCNJQLASU-ZJUUUORDSA-N 293.367 0.945 0 50 CCAA CC1(C)Cc2n[nH]cc2CN(C(=O)COC2(C)CNC2)C1 952892583 ATXXMXYJYFJRMT-UHFFFAOYSA-N 292.383 0.699 0 50 CCAA O=C(O)[C@]1(C(=O)N2CCC[C@](O)(C(=O)O)C2)CC=CCC1 1875358203 MYZUOVXISWCQRX-ZIAGYGMSSA-N 297.307 0.236 0 50 CCAA CN(C)C(=O)C[C@@H]1CN(Cc2cn(C3CC3)cn2)C[C@H]1O 1875398170 FGHOYSLICBNHRA-BXUZGUMPSA-N 292.383 0.489 0 50 CCAA CNc1nnc(CC(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)s1 887929196 MYQZZWRPFVQMIB-TVQRCGJNSA-N 295.412 0.532 0 50 CCAA C=CS(=O)(=O)CCN(C)[C@@H]1CCN(C)[C@@H](C)C1 1775994495 VSPBQNDLTVWWPI-NWDGAFQWSA-N 260.403 0.959 0 50 CCAA CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C(=O)O)[C@@H](C)O 1775987569 BLOZIPXVGSZFFH-UISBYWKRSA-N 299.298 0.933 0 50 CCAA C[C@@]1(C(=O)N2CC(OC(F)F)C2)CCC(=O)NC1 548827967 ZDWCKPDOQAZUQL-LLVKDONJSA-N 262.256 0.353 0 50 CCAA O=C(NS(=O)(=O)C1CCC1)c1ccc2nncn2c1 408482981 JCARWHKEPXRKOE-UHFFFAOYSA-N 280.309 0.341 0 50 CCAA O=C1CN(C(=O)c2n[nH]c3c2CCC3)[C@@H]2CCCC[C@@H]2N1 225470304 PQIAWKXPZONMMO-NWDGAFQWSA-N 288.351 0.782 0 50 CCAA O=C([C@H]1C[C@H](F)CN1)N1CCN(CC2CCOCC2)CC1 188770804 YGFDTZZVZAXZSI-UONOGXRCSA-N 299.390 0.257 0 50 CCAA O=C(COc1ccc(F)cc1)NCCCc1nn[nH]n1 584901145 YNHICBNEFQFLGW-UHFFFAOYSA-N 279.275 0.467 0 50 CCAA C=CC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 585086898 OCKLTUOOUIQIPM-NSHDSACASA-N 290.319 0.613 0 50 CCAA O=C1CC[C@@H](NC(=O)Cc2cncc(O)c2)[C@H](C2CC2)N1 563412847 ITENZGJTQFFOBW-DOMZBBRYSA-N 289.335 0.503 0 50 CCAA Cc1c(Cl)cccc1C(=O)NCCOCC(N)=O 194750080 GRWXLXIVGLINCK-UHFFFAOYSA-N 270.716 0.880 0 50 CCAA O=C(O)CCNC(=O)N1CCNC(=O)C12CCCCC2 1506405972 DBGNIJAFYZRCPP-UHFFFAOYSA-N 283.328 0.305 0 50 CCAA CC(C)c1nccn1CCCNC(=O)NCC(=O)O 1506430935 ZRVNRORCFZGQDV-UHFFFAOYSA-N 268.317 0.780 0 50 CCAA CCc1oc(C(=O)Nc2nc[nH]n2)cc1C(=O)OC 338579932 JFLOVQSQPXOBCA-UHFFFAOYSA-N 264.241 0.999 0 50 CCAA Cc1ncc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c(C)n1 1616034360 JKYPAXVUFQIKAZ-NEPJUHHUSA-N 278.400 0.980 0 50 CCAA Cc1cc(C[C@H]2CN(Cc3cccnc3N)C[C@@H]2O)on1 1616073199 MMRHSMWFIYYYBS-JSGCOSHPSA-N 288.351 0.996 0 50 CCAA O=C(c1cccc2cccnc12)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772702831 XVNIMFIFPNTGBB-OKILXGFUSA-N 298.342 0.908 0 50 CCAA COC(=O)C[C@@H]1CNC(N2CCCCC2)=NC1=O 14988622 HLSIKCPSDJOFMW-SECBINFHSA-N 253.302 0.137 0 50 CCAA COc1ccc(CCN2CN=C(NC#N)NC2)cc1OC 19326063 FVOPKMMCSPNZRK-UHFFFAOYSA-N 289.339 0.493 0 50 CCAA Cc1nc2ccc(CC(=O)N3C[C@@H]4C[C@H]3C(=O)N4)cc2[nH]1 1857679515 XPLOVBIEGYWNDN-GWCFXTLKSA-N 284.319 0.513 0 50 CCAA O=C(Cn1nc2n(c1=O)CCCC2)NOCC1CCC1 856341409 CJGHXRFQKGXNLL-UHFFFAOYSA-N 280.328 0.229 0 50 CCAA Cn1nc(C(=O)NC[C@H]2CNCCO2)cc1C1CC1 562981465 MJAWBEJUUXZLAM-SNVBAGLBSA-N 264.329 0.016 0 50 CCAA CCCc1nc(C(=O)N[C@H]2CCOC[C@@H]2O)cs1 1565506046 GIPGEEQKXKLBRJ-WPRPVWTQSA-N 270.354 0.975 0 50 CCAA COCCn1nnnc1NC(=O)[C@@H]1CC=CCC1 906299471 CVULFSUCCVNZGS-SECBINFHSA-N 251.290 0.614 0 50 CCAA C[C@H]1CN(c2nc(N)nc(Cl)c2N)CC[S@](=O)C1 912090328 QJMWRDKTRSVTFJ-QQOXFEPMSA-N 289.792 0.499 0 50 CCAA Cc1ccc(O)cc1C(=O)NC1(c2nn[nH]n2)CC1 1775987230 PXKZQSWLRAWSJK-UHFFFAOYSA-N 259.269 0.633 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@H]1CC[C@@H](N)C1 237135560 MHMVVWLYQPOHRT-WDEREUQCSA-N 253.346 0.195 0 50 CCAA CN(C)C[C@H](O)CNc1ncc(C(=O)O)cc1Cl 717388665 WWKYTKDNAUMJAQ-MRVPVSSYSA-N 273.720 0.768 0 50 CCAA COC(=O)[C@H](Cc1cccs1)NC(=O)Cn1ccnc1 2325781838 SVCFWEANGLKVAX-NSHDSACASA-N 293.348 0.845 0 50 CCAA CC1(C)[C@@H](NC(=O)c2cnn3c2C[C@@H](N)CC3)C[C@H]1CN 2325799980 CHPNYJWIUUZHHK-KWBADKCTSA-N 291.399 0.260 0 50 CCAA Cc1ncc(CN2CC[C@](O)(c3cc[nH]n3)C2)c(=N)[nH]1 2325864835 AASSITWAZUGMLR-CYBMUJFWSA-N 274.328 0.014 0 50 CCAA CCS(=O)(=O)N1CCC[C@H](C(=O)NC(C)C)C1 4149116 KXNNJXCMDWPUTM-JTQLQIEISA-N 262.375 0.573 0 50 CCAA CCCCn1c(C=O)nc2c1c(=O)n(C)c(=O)n2C 6264816 HFTDEPVWGYZIHR-UHFFFAOYSA-N 264.285 0.046 0 50 CCAA C[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCCN1C)n1cncn1 248115590 IOACFDHGGRTJQV-JHJVBQTASA-N 277.372 0.924 0 50 CCAA CCN1CCC[C@H](NC(=O)c2csc(N)n2)C1 55188415 AGRYSYOFBLDPLO-QMMMGPOBSA-N 254.359 0.939 0 50 CCAA O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1ccccc1F 20723099 XARDFSYOEVKVKJ-SECBINFHSA-N 275.243 0.939 0 50 CCAA Cc1cc(S(=O)(=O)N(C)Cc2nnc[nH]2)c(C)o1 253416278 PJGXHQBZCQCZST-UHFFFAOYSA-N 270.314 0.835 0 50 CCAA CC(C)SCC(=O)N1CCN2CCN(C)C[C@@H]2C1 65526098 XDAMGRFLTHOAKV-GFCCVEGCSA-N 271.430 0.586 0 50 CCAA Cn1cc(N2CCC[C@@H](NC(=O)c3cnsn3)C2)cn1 154076236 RHGNWLOOUWSRHJ-SECBINFHSA-N 292.368 0.670 0 50 CCAA CN1CCO[C@H](C(=O)NCc2cccc3c2OCO3)C1 174202596 SXQLLSDQGWIGFO-LBPRGKRZSA-N 278.308 0.362 0 50 CCAA CN(C)c1nc(CNC(=O)c2cnc[nH]2)cs1 219440769 RVLYWRHXNGTKPG-UHFFFAOYSA-N 251.315 0.862 0 50 CCAA Cc1ccnc(N2CCC[C@@](O)(Cn3ccnn3)C2)n1 284700211 JSMRILKAISNCJO-ZDUSSCGKSA-N 274.328 0.408 0 50 CCAA O=C(c1cn2ccsc2n1)N1CCC(O)(C(=O)O)CC1 71639056 RNDQCIDBKPZFNJ-UHFFFAOYSA-N 295.320 0.448 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)c1cn(C(C)C)cn1 237161714 SDJAJDDSJWISPQ-NSHDSACASA-N 286.401 0.837 0 50 CCAA CN(C)Cc1nnc(C(=O)N(C)CCc2ccccn2)o1 71707868 WTDOATGPBJQWAI-UHFFFAOYSA-N 289.339 0.841 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC2(F)F)[C@H](C)C1 334634008 GKPZNSMILGZPLD-BDAKNGLRSA-N 296.339 0.524 0 50 CCAA COc1ccc(F)cc1CC(=O)N1CCOC[C@@H]1C(=O)O 263088102 HOFOUHUHBHCPGA-LLVKDONJSA-N 297.282 0.689 0 50 CCAA C[C@H](C(=O)O)n1ccc2c(cnc3ccnn32)c1=O 40163923 CEFYRYDUZVXDGU-SSDOTTSWSA-N 258.237 0.690 0 50 CCAA COCCN(CCOC)Cc1cn(C(C)C)nn1 242302158 YPYACBPMIWFLMJ-UHFFFAOYSA-N 256.350 0.954 0 50 CCAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc2[nH]nnc2c1 222288349 OASDYYUNRRRBNP-QRTLGDNMSA-N 258.281 0.865 0 50 CCAA CC(C)[C@H](C(=O)N1CC[C@H](C(=O)O)C1)N1CCCC1=O 178264063 GVRJMNAZYGQZAQ-CMPLNLGQSA-N 282.340 0.567 0 50 CCAA CN(C)CCN/C=C1/C(=O)NC(=O)c2ccccc21 138589991 SLZCVHBLDJLCAT-FMIVXFBMSA-N 259.309 0.449 0 50 CCAA O=C(Nc1c(F)cccc1F)C(=O)N1CCOCCN1 615483672 SFZYTNVXSNOFSF-UHFFFAOYSA-N 285.250 0.267 0 50 CCAA c1cnc2c(CN3CCC4(CC3)CNCCO4)cnn2c1 426412476 UXNKXCXRSAABGU-UHFFFAOYSA-N 287.367 0.684 0 50 CCAA O=C(Nc1ccc(F)cc1F)N1C[C@H](O)C[C@H]1CO 334172812 AXLYPAQOJVLOSL-DTWKUNHWSA-N 272.251 0.924 0 50 CCAA Cc1ccc2nc(C(=O)NCCS(C)(=O)=O)c(F)n2c1 426544893 CXPAVFLCFAOJMM-UHFFFAOYSA-N 299.327 0.556 0 50 CCAA Cc1cccc(CN2CCn3c(n[nH]c3=O)C2=O)c1 96179462 YDSWDQAVYODTNS-UHFFFAOYSA-N 258.281 0.536 0 50 CCAA CN(C)C[C@@H]1CN(C(=O)Cc2cccs2)C[C@@H]1CO 91907624 AEVIHFQHZLPELP-VXGBXAGGSA-N 282.409 0.919 0 50 CCAA COC[C@]1(O)CCN(C(=O)c2cccnn2)CC1(C)C 91663219 WNPSYHAGRCKOFP-CQSZACIVSA-N 279.340 0.726 0 50 CCAA CCn1cc(CN(C)C(=O)CNC(C)=O)c(C)n1 426602400 IBXDCOOEWLAKNQ-UHFFFAOYSA-N 252.318 0.306 0 50 CCAA COCCc1noc(CN2CC3(CCNCC3)OC2=O)n1 95511899 NKCDCWAWGYRQOV-UHFFFAOYSA-N 296.327 0.333 0 50 CCAA CCc1nc(CN(C)C(=O)CN2CC[C@H](C)C2=O)no1 95499073 QUOQXKALXHUXGH-VIFPVBQESA-N 280.328 0.459 0 50 CCAA O=c1[nH]ccn1CCN(CCO)C1CCCCC1 244899853 ZRMHNMDWTFCRKE-UHFFFAOYSA-N 253.346 0.803 0 50 CCAA OC[C@H]1CCCN1c1cc(NC[C@H]2COCCO2)ncn1 299754168 JXXLCXXXKCCPOO-NEPJUHHUSA-N 294.355 0.265 0 50 CCAA CC[C@@H](CNC(=O)c1cncn1C)N1CCOCC1 534634024 WVRKPBGLVHPEBH-NSHDSACASA-N 266.345 0.261 0 50 CCAA O=C(NCC[C@H]1CCOC1)c1cccc2nnnn12 534648694 MZHOZVAATBOMTQ-VIFPVBQESA-N 261.285 0.281 0 50 CCAA CCOC[C@@H](O)CNC(=O)NCc1ccsc1 355952432 KAQIRFPTKYHLDW-JTQLQIEISA-N 258.343 0.945 0 50 CCAA CN1CC[C@](C)(C(=O)NCCc2nc(C(=O)O)cs2)C1 534663979 KASKBJJFIJGMQD-ZDUSSCGKSA-N 297.380 0.842 0 50 CCAA O=C(CNC[C@@H]1CCCO1)NC[C@@H](O)c1ccccc1F 269258305 YDVBHFBEXPMNHF-SMDDNHRTSA-N 296.342 0.744 0 50 CCAA O=C1CC[C@H](CN2CCC3(CC2)CNCCO3)O1 828258761 VPQITCRSDMPVPA-LLVKDONJSA-N 254.330 0.146 0 50 CCAA Cc1cc(C)cc(-n2nc(CC(N)=O)nc2[C@H](C)O)c1 826842436 RNCYWHCJBXRWEA-JTQLQIEISA-N 274.324 0.965 0 50 CCAA O=C(O)[C@H]1CC(=O)N(c2nnc(C(F)(F)F)s2)C1 585122813 VLTSBLMMSCKIRM-VKHMYHEASA-N 281.215 0.994 0 50 CCAA Cc1nc(CCN(C)C(=O)CN2CC[C@H](N(C)C)C2)no1 584901713 DLFYMCZYZUIUCH-LBPRGKRZSA-N 295.387 0.015 0 50 CCAA CN1CCC(O)(CNC(=O)CCN2CCCCC2)CC1 670446547 CJHFHHABBOYKLH-UHFFFAOYSA-N 283.416 0.435 0 50 CCAA CCc1ccccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 584895483 KSIFNFJOOOYOEX-CHWSQXEVSA-N 297.376 0.791 0 50 CCAA CCCn1cc(C(=O)N[C@@H](C)c2nc(N)n[nH]2)c(C)n1 584891962 POFFGJUBBOFVGK-QMMMGPOBSA-N 277.332 0.793 0 50 CCAA CC1=NO[C@@H](C(=O)NCCc2c(C)n[nH]c2C)C1 670440807 RMVGJIOAYMHYGL-LLVKDONJSA-N 250.302 0.850 0 50 CCAA CCOC1CC(C(=O)N[C@H]2CCO[C@H]2c2n[nH]c(C)n2)C1 685942141 LOFSHKYLOCQFTO-MMVSWEMESA-N 294.355 0.874 0 50 CCAA CON(C)CCNCc1c2c(nn1C)CCCC2 685943419 OCWKPQOTRKENCB-UHFFFAOYSA-N 252.362 0.882 0 50 CCAA CS(=O)(=O)Nc1ccc([C@H]2CCNC[C@H]2N)cc1 757207410 AUPCQPNREPPIRI-VXGBXAGGSA-N 269.370 0.462 0 50 CCAA COC(=O)c1ccoc1Cn1nnn(C2CCCC2)c1=O 1875290822 DTSBRAWVOLXSLS-UHFFFAOYSA-N 292.295 0.983 0 50 CCAA O=C(NCCc1nc(O)n[nH]1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 1875271549 DTWCRTGMGWMIJI-KHUJYXKRSA-N 262.313 0.461 0 50 CCAA NC(=O)CN1CCC[C@H](C(=O)NCC[C@@H]2CCCOC2)C1 952976413 KHLIROVKJHMKPY-STQMWFEESA-N 297.399 0.117 0 50 CCAA COC(=O)c1ccc2c(c1)CCN(Cc1nc(O)n[nH]1)C2 880351680 BPHAJFYYGXESKV-UHFFFAOYSA-N 288.307 0.855 0 50 CCAA CC[C@H]1C(=O)NCCCN1C(=O)Cc1cnn(CC)c1 886527224 CAYBAFHUTSXMGE-LBPRGKRZSA-N 278.356 0.573 0 50 CCAA O=C1CN(c2nnc(Cc3ccccc3)o2)CCN1 891472601 UNUOUNAUVYKPAU-UHFFFAOYSA-N 258.281 0.597 0 50 CCAA Cc1ccnc(CC(=O)N2CC[C@H](CN(C)C)[C@@H](O)C2)c1 1565529076 AEUNYCSKKQIEJJ-HIFRSBDPSA-N 291.395 0.704 0 50 CCAA Cc1ccc(N2CCOCC2)cc1NC(=O)CO 281934318 WFTZXWZNTLIUKE-UHFFFAOYSA-N 250.298 0.762 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)COc1cccnc1 282188107 NRKYBYAFZYEISH-GXSJLCMTSA-N 263.297 0.244 0 50 CCAA Cc1cc(C(=O)NCc2cnc3nccn3c2)on1 552205606 IVRFMYQCOJQRDQ-UHFFFAOYSA-N 257.253 0.956 0 50 CCAA CCCn1cc(C(=O)N2CCC[C@@]2(COC)C(=O)O)cn1 643853625 FBPGWMOKRQDASZ-CQSZACIVSA-N 295.339 0.999 0 50 CCAA CO[C@@H](c1noc(COC2CN(C(C)=O)C2)n1)C1CC1 643967722 UMXAJEYXMJXWNF-GFCCVEGCSA-N 281.312 0.914 0 50 CCAA Cc1nc(CNC(=O)c2cnn([C@@H]3CCCNC3)c2)no1 646005314 PNGKDWOLQNDHPP-LLVKDONJSA-N 290.327 0.429 0 50 CCAA CC(C)(C)c1nc(CN2CCC(O)(CO)CC2)no1 67674718 HKVHBUWFGJKQRL-UHFFFAOYSA-N 269.345 0.686 0 50 CCAA CCOc1cc(N2CCC[C@@](O)(CO)C2)nc(C)n1 664001312 YOSQUCYENNSOOU-ZDUSSCGKSA-N 267.329 0.507 0 50 CCAA Cc1cc(C(=O)OCCNS(C)(=O)=O)c2n[nH]cc2c1 729794093 XYEWTDMRIKIITN-UHFFFAOYSA-N 297.336 0.577 0 50 CCAA CCN1CC[C@@H](CN(C)c2nc(N)c3cnn(C)c3n2)C1 1506422214 PDAWBKLLGHXZEU-JTQLQIEISA-N 289.387 0.724 0 50 CCAA COCCN1CC[C@@H](CN(C)CCN2CCCC2=O)C1 1506408814 XLRPWRPOVSNGAN-AWEZNQCLSA-N 283.416 0.509 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCCc2ncc[nH]2)CC[C@@H]1O 1704316672 ZOQDGIOVGJCTGK-OUAUKWLOSA-N 267.329 0.244 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)[C@H]2CCCOC2)C1 630251275 FWUIMMDRZWNFHL-JOYOIKCWSA-N 257.286 0.115 0 50 CCAA CO[C@@H](C)CS(=O)(=O)Nc1cccc(C(=O)O)c1N 1610225312 OIYSHGUPKKZMQL-ZETCQYMHSA-N 288.325 0.744 0 50 CCAA Nc1ncccc1CN1C[C@H](Cc2cnccn2)[C@@H](O)C1 1615964734 LYNABNKQZJJBIR-JSGCOSHPSA-N 285.351 0.489 0 50 CCAA OC[C@H]1CN(Cc2nc(C(F)(F)F)no2)C[C@@H]1CO 1616137612 MGDDQISVQHEFTN-RNFRBKRXSA-N 281.234 0.121 0 50 CCAA CC1CC(NS(=O)(=O)c2cccc(NCCO)n2)C1 1615046263 NDLIYIWVVZNKRI-UHFFFAOYSA-N 285.369 0.563 0 50 CCAA CCc1c(C(=O)N[C@@H]2C[C@@H](N)C23CCC3)nnn1CC 1615553412 GYTXRQMJTOYIRV-GHMZBOCLSA-N 277.372 0.860 0 50 CCAA O[C@@H](CNc1ncnc2cc[nH]c12)CN1CCCC1 1772808973 HUHQKXJXTXYQIU-JTQLQIEISA-N 261.329 0.827 0 50 CCAA Cc1ccccc1C(=O)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772710271 PYTQNFUCMUPKNQ-BETUJISGSA-N 261.321 0.668 0 50 CCAA COc1nc(N2C[C@H]3CCN(C)C(=O)[C@H]3C2)ncc1F 1772808126 ZNAQGZOQDNWUPB-BDAKNGLRSA-N 280.303 0.539 0 50 CCAA CNC(=O)O[C@H](C)CNC(=O)COc1ccccc1 12383510 BAWOGKLTUMYGOH-SNVBAGLBSA-N 266.297 0.926 0 50 CCAA CC1=[N+]([O-])[C@@H](N2CCOCC2)[C@@](O)(c2ccccc2)C1 19324498 FEGKNQQSTLDZBN-CABCVRRESA-N 276.336 0.907 0 50 CCAA Cn1c(CNC(=O)[C@@H]2CNCCO2)nc2ccccc21 237742513 QIAJOFDDZBLIHI-LBPRGKRZSA-N 274.324 0.178 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2cccnc2OC)C[C@@H]1O 221974680 AIMJDSLMZCDDNT-FZMZJTMJSA-N 280.324 0.438 0 50 CCAA CC1(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)CNC1 520395753 BOHGTYLJCRHRKV-UHFFFAOYSA-N 294.376 0.242 0 50 CCAA Cc1cc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)co1 636213979 GFYXBQHIASCHDU-LBPRGKRZSA-N 276.296 0.721 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)Cc1c(C)noc1C 643944388 BTCGLEWOSTWKHV-CQSZACIVSA-N 295.339 0.327 0 50 CCAA Cc1ncccc1CN1CC[C@](O)(Cn2ccnn2)C1 671492001 JWGGDGSGADXKBV-CQSZACIVSA-N 273.340 0.619 0 50 CCAA CC(C)(O)CONC(=O)Nc1cccc2c1NC(=O)CO2 1208529500 IQWVILQNKZDAKA-UHFFFAOYSA-N 295.295 0.842 0 50 CCAA O=C(NC[C@H]1CCCNC1)[C@@H]1CCO[C@H]1C1CC1 911703438 DRLGBCVPLYOIRG-UHTWSYAYSA-N 252.358 0.917 0 50 CCAA O[C@H](c1ccccc1)c1ncnn1C[C@@]1(O)CCCOC1 849325048 ADPXRVBKIKJHBJ-HIFRSBDPSA-N 289.335 0.901 0 50 CCAA Cn1cncc1CN1CCCC[C@H]1CS(N)(=O)=O 931231398 HGZNHESGCYCSHM-JTQLQIEISA-N 272.374 0.063 0 50 CCAA CC1(C)CNC(=O)[C@H]1NCc1noc(C2CCC2)n1 931651142 GMPKQPWSCJYBIY-SNVBAGLBSA-N 264.329 0.951 0 50 CCAA CCN(C)S(=O)(=O)NCc1csc(N)n1 670446024 NJRJBZLPVMSPGH-UHFFFAOYSA-N 250.349 0.011 0 50 CCAA CC(C)(O)CCN1CC[C@H](S(=O)(=O)NC2CC2)C1 372136874 QYNJYMMYAWWORC-NSHDSACASA-N 276.402 0.304 0 50 CCAA COC1(C(=O)NC[C@H]2COc3ccccc32)CC(N)C1 2325801654 QWVOWBOZJSNDCY-NLTNOIMHSA-N 276.336 0.785 0 50 CCAA O=C(Cc1c[nH]nc1O)NC[C@@H]1CCc2c[nH]nc2C1 2325848646 MGNADGFWAOZEHT-MRVPVSSYSA-N 275.312 0.302 0 50 CCAA C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(CN)n21 2356157007 AEBDYUFYXVUUMA-VIFPVBQESA-N 289.314 0.979 0 50 CCAA O=C(COc1ccc(Br)cc1)NCCO 2823601 IPEWTWMLIVISNF-UHFFFAOYSA-N 274.114 0.936 0 50 CCAA aggregator O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCNCC1 3602926 PBMYDGKWBMRMIV-GFCCVEGCSA-N 273.336 0.471 0 50 CCAA COc1cccc(N(CC(=O)O)S(C)(=O)=O)c1 4690185 RPYAHQJFNFMBRI-UHFFFAOYSA-N 259.283 0.546 0 50 CCAA CC(=O)Nc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1 22606578 SEEMZEJGAKVBOH-UHFFFAOYSA-N 299.352 0.475 0 50 CCAA CCN1CCCC[C@H]1C(=O)NC[C@@H](O)c1nccn1C 20149170 OUUPUFBBIBINGK-NWDGAFQWSA-N 280.372 0.444 0 50 CCAA CC(C)c1ccc(N2CCN(C)[C@H](C(=O)O)C2)nn1 67804479 CNOTZJDYMQIIBD-NSHDSACASA-N 264.329 0.805 0 50 CCAA CN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 20445603 SPXPXFQAOMQIDA-UHFFFAOYSA-N 258.325 0.671 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1Cc1cnn(C)c1 67740762 SCKLOBLSBWSHSF-STQMWFEESA-N 279.388 0.190 0 50 CCAA CN1C(=O)CN(Cc2cnnn2C)[C@H]1c1ccccc1 329785008 PSMJCHPLLFCLDB-AWEZNQCLSA-N 271.324 0.788 0 50 CCAA CN(Cc1cccnc1)C(=O)[C@@H](N)C1CCOCC1 262048092 QRJALZBOLBGLFN-ZDUSSCGKSA-N 263.341 0.794 0 50 CCAA CCC[C@@H]1SCCN1C(=O)C1=NN(CCO)C(=O)CC1 372458495 QUINMMLMCPUZNU-LBPRGKRZSA-N 299.396 0.659 0 50 CCAA Cc1nc(CN2CCN(C(=O)[C@H]3CCNC3)CC2)oc1C 237731245 GJOHMXFKRANXEH-ZDUSSCGKSA-N 292.383 0.545 0 50 CCAA CCn1cc(C(=O)N2CC[C@](O)(CC)[C@H](O)C2)cn1 72433421 OLHDJUZPPPDLTG-DGCLKSJQSA-N 267.329 0.251 0 50 CCAA COc1nc(C)ccc1C(=O)N1CC2(CN(C)C(=O)O2)C1 496216802 HOYXIMWVXSRXRC-UHFFFAOYSA-N 291.307 0.675 0 50 CCAA O=C(c1ccc2c(c1)OCCO2)N1CCOC[C@@H](CO)C1 77454654 YBOCTOWWDOUKKL-LLVKDONJSA-N 293.319 0.539 0 50 CCAA O[C@]1(CN2CCN(Cc3ccccc3F)CC2)CCNC1 77287270 CDDURMDJUROFTG-MRXNPFEDSA-N 293.386 0.668 0 50 CCAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CN(C)CCO1)CC2 239761336 CJPGYOMNFYAXBN-KKUMJFAQSA-N 295.427 0.791 0 50 CCAA CC[C@H](CO)Nc1cc(C2CC(N)C2)nc(N)n1 220716501 DIFGDWWFKOVWRA-AMDVSUOASA-N 251.334 0.446 0 50 CCAA CCOC[C@H]1CN(c2nc(O)c3cnn(C)c3n2)CCO1 528186898 LQSAAVJTPLVLTQ-SECBINFHSA-N 293.327 0.311 0 50 CCAA O=C(Cc1ccsc1)N[C@@H]1COCC[C@@H]1OCCO 222278575 JBWAKVHTXIWMJU-NEPJUHHUSA-N 285.365 0.573 0 50 CCAA CCN(CCOC)C(=O)c1nnc2nc(C)ccn12 426419779 OHLWSXFJJIXPOE-UHFFFAOYSA-N 263.301 0.541 0 50 CCAA CCCc1nc(CN(CC)C(=O)Cc2nc(O)n[nH]2)no1 426478133 YMGJNTIMEVKTIS-UHFFFAOYSA-N 294.315 0.437 0 50 CCAA CN1CCN(CC(=O)N2CCC[C@@](C)(C(=O)O)C2)C1=O 426470914 UYKKWFYRQVIIPS-CYBMUJFWSA-N 283.328 0.067 0 50 CCAA CCc1c(C)nn(CCNC(=O)CN2CCOCC2)c1C 426369421 VBLQJDPKDXVEAH-UHFFFAOYSA-N 294.399 0.511 0 50 CCAA Cc1cnccc1CN(C)C(=O)[C@H](C)N1CCN(C)CC1 426548929 XWDLFVHXEUYICW-AWEZNQCLSA-N 290.411 0.984 0 50 CCAA O=C1CCCN1CCc1nc([C@@H]2CCOC2)no1 96133799 GNPJKUWHQPKISE-SECBINFHSA-N 251.286 0.738 0 50 CCAA CC1(C)NC(=O)CC[C@@H]1NC(=O)c1cn(CC2CC2)nn1 622588088 YDUKXWLBTMIWRK-NSHDSACASA-N 291.355 0.475 0 50 CCAA CCOC1CC(N[C@H]2COC[C@H]2n2ccnn2)C1 299740469 AXIQVOPFLOIIFT-MMVSWEMESA-N 252.318 0.375 0 50 CCAA C[C@H](OCC(F)(F)F)C(=O)N1CCO[C@H](CC(=O)O)C1 299747802 FCUBVEHOQOGTLE-JGVFFNPUSA-N 299.245 0.656 0 50 CCAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)COC[C@H]1CCCCO1)C2 534585569 KUDHSOGFJNJSDT-QVHKTLOISA-N 282.384 0.768 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)NCC[C@H]1CCCOC1 534585533 PHIPBVMJMGYFFL-SNVBAGLBSA-N 267.329 0.899 0 50 CCAA COC(=O)c1cc(O)cc(C(=O)N2CC[C@H](CN)C2)c1 534574430 FNMFUKXJQPHTGL-SECBINFHSA-N 278.308 0.600 0 50 CCAA O=C(O)[C@H]1[C@@H]2C(=O)N3c4ccccc4CO[C@@H]3[C@@]23C=C[C@H]1O3 263592338 JAKDDXGVWGWOEV-QRUUQIEESA-N 299.282 0.914 0 50 CCAA C[C@H]1CN(CC(=O)NCCc2csc(N)n2)C[C@@H](C)O1 299784906 PTICNDFDQCXULW-AOOOYVTPSA-N 298.412 0.493 0 50 CCAA CC(C)c1noc([C@@H](C)NC(=O)CCS(C)(=O)=O)n1 827999664 DJTZNKJWOSHIJX-MRVPVSSYSA-N 289.357 0.805 0 50 CCAA CC1(CNC(=O)[C@@H](N)CCCNC(N)=O)CCCCC1 670467380 ICPOGSNJGWECOG-NSHDSACASA-N 284.404 0.849 0 50 CCAA Cc1ncsc1CN1CC[C@@]2(C1)CN(C)C(=O)CO2 670439655 JBMAULQIGDFVHL-ZDUSSCGKSA-N 281.381 0.885 0 50 CCAA Nc1nc(O)cc(NCC2(CN3CCCC3)CC2)n1 584889727 PEPPISTYKOXDJK-UHFFFAOYSA-N 263.345 1.052 0 50 CCAA O=C(Cn1cccc1)NCCN1CCCC[C@@H]1CO 670435763 KVPPVNLNGWCWCP-CYBMUJFWSA-N 265.357 0.451 0 50 CCAA CCc1cc(C)c(C(=O)N[C@@H]2CNC[C@H]2OC)o1 1548448021 FXNWUBBVQMOYDC-GHMZBOCLSA-N 252.314 0.867 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2C[C@@H]3CCO[C@@H]3C2)CC1 1875367036 PKLFBXVFJVXYLW-QWHCGFSZSA-N 278.352 0.658 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)NCc1conc1C1CCC1 1875401485 ZRURVJCTUQCCBC-ZYHUDNBSSA-N 279.340 0.529 0 50 CCAA Cc1noc(C[C@]2(O)CCCN(Cc3cocn3)C2)n1 888076308 XNGAWOMTJZPEJN-CYBMUJFWSA-N 278.312 0.936 0 50 CCAA C[C@](Cn1cccn1)(NC(=O)c1ccsc1)C(N)=O 889646342 LMQXLYVGEQXZAR-GFCCVEGCSA-N 278.337 0.619 0 50 CCAA O=C(COCc1ccccn1)N[C@]12CCC[C@@H]1NCC2 1774598152 QOYVWHZLNSTISZ-ZFWWWQNUSA-N 275.352 0.999 0 50 CCAA CC[C@H]1CN(S(=O)(=O)c2cn[nH]c2)CCN1C 104362925 CTILMSIRBVEYTM-VIFPVBQESA-N 258.347 0.124 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N(C)c1cnn(C)c1 408074719 XKYLSCDVXIKZED-UHFFFAOYSA-N 269.330 0.287 0 50 CCAA CCOC[C@@H]1CN(C(=O)CSCC(=O)O)CCO1 600876655 NPIQMGYTZMKTSX-VIFPVBQESA-N 277.342 0.068 0 50 CCAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NC[C@H]1CC1(C)C 408427085 ZEAKWJUOLPOYMR-OPRDCNLKSA-N 253.346 0.856 0 50 CCAA CCOC(=O)[C@]1(C)CN(Cc2nccnc2C)CCO1 602745371 GHSSLNPQIJJFCU-AWEZNQCLSA-N 279.340 0.939 0 50 CCAA Cc1nc2n(n1)C[C@@H](NC(=O)Cc1cncs1)CC2 188497488 MZSWJHBAKYGQCY-VIFPVBQESA-N 277.353 0.717 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)Nc1cncc(F)c1 644463863 RZSCVKRTPGUDSC-LLVKDONJSA-N 281.287 0.533 0 50 CCAA CNCC(=O)N1CCN(c2ncccc2Cl)CC1 195176793 ACDYJHCYTKBNHJ-UHFFFAOYSA-N 268.748 0.603 0 50 CCAA COc1ncccc1CN1CC[C@](O)(c2cnn[nH]2)C1 583618386 SPPHAJBXJMNUPI-CYBMUJFWSA-N 275.312 0.302 0 50 CCAA C=CC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 585086948 XTVGSIHVRJAFOM-UHFFFAOYSA-N 258.343 0.245 0 50 CCAA CSC[C@H](C)C(=O)N1CCN(CCN(C)C)C(=O)C1 585090279 ZWUZRDOSQKDZIC-NSHDSACASA-N 287.429 0.218 0 50 CCAA COC(=O)C[C@@H](NC(C)=O)C(=O)NC(C)(C)C(C)(F)F 585126885 KQCZSRWJDXDPNV-MRVPVSSYSA-N 294.298 0.604 0 50 CCAA Cn1nnc(C(=O)N[C@H]2CCCOc3ccccc32)n1 585140390 CYYUDKWWGMWUTN-JTQLQIEISA-N 273.296 0.854 0 50 CCAA CC1=C(C(=O)N2CCC[C@H](C(=O)O)C2)OCCO1 1506407352 RAEOMRVCOPPZGN-VIFPVBQESA-N 255.270 0.588 0 50 CCAA CN[C@@H]1CCCN(C(=O)Cn2cc(C3CC3)nn2)C1 151052324 RYRYGDPIJCJKBT-LLVKDONJSA-N 263.345 0.366 0 50 CCAA C[C@@H]1OCCN(S(=O)(=O)C[C@H]2CCCCO2)[C@@H]1C 247150780 SXPXFIRYOAOOSG-GRYCIOLGSA-N 277.386 0.995 0 50 CCAA Cc1ncc(S(=O)(=O)N2C[C@@H](N)C3(CCC3)C2)n1C 1615058796 QYSSAKMZBQGZFO-SNVBAGLBSA-N 284.385 0.230 0 50 CCAA O=C1CNCCN1[C@H]1CCCN(C[C@@H]2C[C@H]3CC[C@H]2N3)C1 1615587667 PRUOLQQLGITALT-LJISPDSOSA-N 292.427 0.023 0 50 CCAA Cc1cnnc(N2CCN(C(=O)N(C)C)CC2)c1C 1857675647 BRZKLUPWDVFPPR-UHFFFAOYSA-N 263.345 0.897 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCOC(C)(C)[C@@H]1C 860129328 ZGZQFZAMDGRBLK-JTQLQIEISA-N 254.330 0.657 0 50 CCAA CNC(=O)CCN(C)c1ncc(C(C)=O)c(C)n1 1772702357 GDZKOAUMWYOCSK-UHFFFAOYSA-N 250.302 0.560 0 50 CCAA COC(=O)C1=C(C(=O)OC)O[C@](C)(OC)[C@@](C)(OC)O1 5019695 SQVZHDVADPLUHY-RYUDHWBXSA-N 290.268 0.316 0 50 CCAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnccn1 16698311 DWYZPDHMMZGQAP-NSHDSACASA-N 271.276 0.902 0 50 CCAA in-vitro CN1C[C@H]2COC[C@@H]1CN(C(=O)CNc1cccnc1)C2 1857719680 RESNHYQNNZSAFB-OCCSQVGLSA-N 290.367 0.283 0 50 CCAA COc1ccccc1CCNC(=O)[C@H]1CC[C@@H](O)[C@H](N)C1 1857720466 VZGRNCGKNNGXQP-BFHYXJOUSA-N 292.379 0.842 0 50 CCAA CC[C@@H](OC)C(=O)N1CCC(c2nncn2C)CC1 330560479 SDPKQVGUIGPJSE-LLVKDONJSA-N 266.345 0.946 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)O 663289961 MFJHGKMQAOJWPH-JTQLQIEISA-N 299.352 0.654 0 50 CCAA O=C(OC[C@@H]1CO1)[C@H]1CCCC[C@H]1C(=O)OC[C@@H]1CO1 4975785 XFUOBHWPTSIEOV-FIQHERPVSA-N 284.308 0.677 0 50 CCAA in-vitro Cc1n[nH]cc1CN[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C 252671948 ORXGKGABLKSXFA-BXKDBHETSA-N 286.401 0.478 0 50 CCAA NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccncc1F 682612413 WGTITWGBWBWQFV-SBMIAAHKSA-N 277.299 0.947 0 50 CCAA CC(C)(C)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCO1 585124688 MYVWQYJHQHLQKR-GHMZBOCLSA-N 289.397 0.837 0 50 CCAA CC[C@](C)(N[C@H]1CCCN(CC(F)(F)F)C1=O)C(N)=O 390835674 USWUSCLNLGTJAN-KWQFWETISA-N 295.305 0.783 0 50 CCAA OCCN1CCN(C[C@@H](O)COCc2ccccc2)CC1 19419240 QZBVIGCIUHSXKF-MRXNPFEDSA-N 294.395 0.174 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)CCn2nc(C)cc2C)C1 910218980 LJXSKKSOQMREOG-CQSZACIVSA-N 295.339 0.592 0 50 CCAA CC(C)N1C(=O)C[C@H](Nc2nccnc2F)C1=O 858434987 VUKBPNYRZBKULL-ZETCQYMHSA-N 252.249 0.564 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N(C)CCc1ccncc1 262317889 RANDTKPTZYAZDV-YPMHNXCESA-N 263.341 0.459 0 50 CCAA C[C@@](O)(CN1CCC[C@H](S(C)(=O)=O)C1)C(F)(F)F 386351773 PGZDRDZXRUIVDA-DTWKUNHWSA-N 289.319 0.809 0 50 CCAA O=C([C@H]1Cc2ccccc2O1)N1CCn2nccc2[C@@H]1CO 2325810965 TYCSZUXEVPDFAK-DZGCQCFKSA-N 299.330 0.762 0 50 CCAA CC1(C)C[C@H](c2nc([C@@H]3COCCN3)no2)CNC1=O 2325812361 XCTLPXMUIAUWLS-IUCAKERBSA-N 280.328 0.360 0 50 CCAA CC1(C)[C@]2(C(=O)Nc3cnn[nH]3)CC[C@@]1(C)C(=O)O2 935595892 WGQKQLAEIXMHKQ-NWDGAFQWSA-N 264.285 0.865 0 50 CCAA O=C1C(=O)N(CC(=O)N2CCCC2)c2ccccc21 2857384 LGXFKJWXEFXKER-UHFFFAOYSA-N 258.277 0.838 0 50 CCAA CN(C(=O)OCc1ccccc1)[C@@H](CC(N)=O)C(=O)O 2899055 WYDIYVSIFPKQFO-JTQLQIEISA-N 280.280 0.584 0 50 CCAA CCCN1Cc2nnc(CCOC)n2[C@@H](C)C1=O 2356157787 QQWBISQVIKBZAO-VIFPVBQESA-N 252.318 0.780 0 50 CCAA O=C(O)CCC(=O)Nc1ccc(O)c(C(=O)O)c1 4075665 MKNAPJWOCLKONF-UHFFFAOYSA-N 253.210 0.894 0 50 CCAA C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC(=O)N1C 282524212 ZHKAAKOWVXDIDU-VHSXEESVSA-N 276.340 0.519 0 50 CCAA Cc1o[nH]c(=N)c1S(=O)(=O)N[C@@H](CN)C1CCCC1 420435744 NAIYYVDIPYXIGZ-VIFPVBQESA-N 288.373 0.191 0 50 CCAA CCOC(=O)c1cnc(N2CCN(C)CC2)nc1 66322732 JONRKCYOPKYPNN-UHFFFAOYSA-N 250.302 0.405 0 50 CCAA O=C(O)CCC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101383198 KDNOGGSYUAHACI-QWRGUYRKSA-N 290.319 0.659 0 50 CCAA COc1cccc(NC(=O)CN(C)S(C)(=O)=O)c1 22606533 YJEYTUJEVLRUGS-UHFFFAOYSA-N 272.326 0.525 0 50 CCAA CCc1ccc(S(=O)(=O)N2CCNCC2)cc1 36117282 SRABBUBLBVIBRF-UHFFFAOYSA-N 254.355 0.843 0 50 CCAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)N(C)[C@H](C)C2CC2)C1 257366349 TYWBKDYJKFBBMN-LOWVWBTDSA-N 289.445 0.891 0 50 CCAA O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1c[nH]nn1 153144866 KCDAJZJCTLOZGF-NSHDSACASA-N 291.355 0.716 0 50 CCAA CN(C)C1CN(C(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1 284846862 QBSLXUKSQFSNCE-VXGBXAGGSA-N 278.356 0.270 0 50 CCAA NC(=O)C1(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 71748980 AGYLAWZVQDMDFK-LBPRGKRZSA-N 292.310 0.991 0 50 CCAA Cc1noc([C@H]2CCCN(C(=O)C3(C(=O)O)CC3)C2)n1 154814060 HCJWVNUCAMPLKF-VIFPVBQESA-N 279.296 0.949 0 50 CCAA C[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 261813471 HEJGHLHITGRXSM-JFGNBEQYSA-N 265.357 0.336 0 50 CCAA CN(C(=O)CN1C(=O)NC(=O)C1(C)C)C1CCC(N)CC1 237208810 VGDNMCIHZBNCBH-UHFFFAOYSA-N 296.371 0.045 0 50 CCAA CN(C)c1ncc(CN2CCC[C@](O)(CO)CC2)cn1 215803166 OPGGIIJQUABMFF-CQSZACIVSA-N 280.372 0.252 0 50 CCAA NC(=O)[C@@H]1CN(C(=O)C2=CCCCO2)C[C@H]1C(F)(F)F 375476308 OSDOJNCYMAYOMO-HTQZYQBOSA-N 292.257 0.803 0 50 CCAA C[C@H](CN(C)c1ncc(Cl)cn1)c1nnn[nH]1 129862926 LENMOEKBUSNALP-ZCFIWIBFSA-N 253.697 0.883 0 50 CCAA O=C(O)CN1CCCC12CCN(c1ncccn1)CC2 72481246 PDFCGTFEXGPBCT-UHFFFAOYSA-N 276.340 0.996 0 50 CCAA O[C@]1(CNCCSc2ccccn2)CCCNC1 72418432 GIZCIAYIMXKTQY-CYBMUJFWSA-N 267.398 0.878 0 50 CCAA C[C@H](C(=O)NCCC(=O)N1CCCC1)n1ccnc1 44914757 BBLIAEZHGYMFQU-LLVKDONJSA-N 264.329 0.573 0 50 CCAA O=C(NC[C@]1(O)CCNC1)c1ccc(-c2cncnc2)cc1 426550955 BACGACQCVDXZMV-INIZCTEOSA-N 298.346 0.598 0 50 CCAA O=C(c1cncc(=O)[nH]1)N(CCO)C1CCCCC1 426510535 YERRVWXGVWPLHN-UHFFFAOYSA-N 265.313 0.537 0 50 CCAA O=C(NCCCn1nccc1C1CC1)c1cnn[nH]1 426544975 HINSFNLMJIDGCI-UHFFFAOYSA-N 260.301 0.699 0 50 CCAA CCNC(=O)N1C[C@@H](CO)C[C@H](CN(C)CCOC)C1 91651251 OQSGCEFFAYSRMF-OLZOCXBDSA-N 287.404 0.225 0 50 CCAA C[C@H](N)CNC(=O)c1cnc(-c2ccncc2)nc1 96150910 GLXKMSISUFBQQT-VIFPVBQESA-N 257.297 0.616 0 50 CCAA CO[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 267809268 VLBUUTWHHYBBCP-QMMMGPOBSA-N 297.336 0.266 0 50 CCAA CCn1cnnc1[C@@H](C)NC(=O)CSc1nc(C)n[nH]1 243892963 AMRBEHKSHGPDBV-SSDOTTSWSA-N 295.372 0.694 0 50 CCAA O=S(=O)(NCC[C@H]1CCCOC1)N1CCCC1 528450757 PXBLIFOQBVKOMW-LLVKDONJSA-N 262.375 0.733 0 50 CCAA Cc1cc(CN2CCC([C@H](O)C(=O)NC3CC3)CC2)no1 299739005 JJXCHGORVDBZJR-AWEZNQCLSA-N 293.367 0.835 0 50 CCAA CC(C)CCO[C@@H](C)C(=O)N1CCO[C@H](C(=O)O)C1 299751032 PGGJAVISTMVQKW-QWRGUYRKSA-N 273.329 0.750 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)COC1CCCCC1 299750591 OADOTOIVUKECEN-NSHDSACASA-N 271.313 0.648 0 50 CCAA COC(=O)c1cn(Cc2nc(C)no2)cc2c(=O)[nH]nc1-2 253412095 PVNFDGCMWNXYIG-UHFFFAOYSA-N 289.251 0.203 0 50 CCAA CC(C)C[C@@H](NC(=O)CCn1cncn1)c1ncnn1C 534592087 RMALOLOHAKIMCN-LLVKDONJSA-N 291.359 0.700 0 50 CCAA Cn1ccnc1C(=O)N[C@H]1COC[C@@H]1N1CCCCC1 534676248 INVWJILARRHNKY-RYUDHWBXSA-N 278.356 0.403 0 50 CCAA CNC(=O)CC1CCN(C(=O)c2c(C)ncn2C)CC1 299766345 CMPOUKMOANVWPA-UHFFFAOYSA-N 278.356 0.717 0 50 CCAA CC(C)(C)n1nc(CC(N)=O)nc1[C@@H]1CCOC1 826841976 FUWUIQUZWYNRPJ-MRVPVSSYSA-N 252.318 0.565 0 50 CCAA Cn1c(=O)c2cccc(Cl)c2n(CC(=O)O)c1=O 725261620 MVVGQFYESSRXHY-UHFFFAOYSA-N 268.656 0.438 0 50 CCAA COC[C@@H](OC(=O)c1ccc2nc[nH]c2c1)C(=O)OC 585136066 ORHYQPVFKTXRSX-LLVKDONJSA-N 278.264 0.908 0 50 CCAA O=c1c2nccnc2ncn1C[C@H](CO)Cc1ccco1 584898392 KWCXIVNOBUNLBF-SNVBAGLBSA-N 286.291 0.631 0 50 CCAA CCCCC(=O)N[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1875286388 SCFBWEYFKKHYGL-SNVBAGLBSA-N 264.329 0.832 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@](C)(O)c1cccc(F)c1 1875273455 YWZORPUOJXBNOZ-GBXSZLQWSA-N 281.283 0.879 0 50 CCAA O=C([C@H]1C2CCN1CC2)N1CCO[C@@]2(CCOC2)C1 1875329499 ZGCMTGHILLVPKR-OCCSQVGLSA-N 266.341 0.099 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)[C@@H]1C[C@@H]2CC[C@H]1O2 1875302472 RUBMLVFYPUOSQT-OMSYFHLOSA-N 265.309 0.779 0 50 CCAA Cc1cc(=O)c(Cc2n(CCO)c(C)c(C)[n+]2[O-])c(O)o1 888090294 PXPNEQIZBNYQKN-UHFFFAOYSA-N 294.307 0.289 0 50 CCAA C[C@@H](CC(N)=O)N(C)C(=O)c1ccc(-c2nc[nH]n2)cc1 952973034 VXHGISOGPBIDKN-VIFPVBQESA-N 287.323 0.808 0 50 CCAA CCn1ncc(CNC(=O)N=c2cc[nH]cc2N(C)C)n1 888100282 HTGYRDOVIVWIJD-UHFFFAOYSA-N 289.343 0.503 0 50 CCAA CS(=O)(=O)CCN[C@H]1Cc2ccccc2NC1=O 1336783392 HJSYUUAYSURBNK-NSHDSACASA-N 268.338 0.184 0 50 CCAA COc1coc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)cc1=O 407954528 DVSPFGNYZADCDO-VHSXEESVSA-N 280.324 0.813 0 50 CCAA COC[C@@H](NC(=O)Nc1ccccc1F)C(N)=O 170613431 DJISEMBBCSIHDP-SECBINFHSA-N 255.249 0.448 0 50 CCAA CC1CCN(C(=O)C(=O)NCc2cc[nH]n2)CC1 170607924 AVAXDEAQDOASFQ-UHFFFAOYSA-N 250.302 0.284 0 50 CCAA Cc1ccc(N2C(=O)C(=O)N(CC(=O)O)C2=O)c(C)c1 408525243 QYRVEHADFSKTNO-UHFFFAOYSA-N 276.248 0.683 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1nc(C(C)C)no1 643826465 NKIGLKWVNFJRRB-CQSZACIVSA-N 296.371 0.920 0 50 CCAA CCN(C(=O)c1nc2nc(C)cc(C)n2n1)[C@@H](C)C(=O)O 659774837 JXGGJYKLTVSNKU-VIFPVBQESA-N 291.311 0.676 0 50 CCAA C[C@@]1(F)CCN(C(=O)c2ccc3c(c2)B(O)OC3)C1 584969883 QJHGLRUPELLZPP-CYBMUJFWSA-N 263.077 0.478 0 50 CCAA CN1CCN([C@@H]2CCN(c3ccc(C(=O)O)nn3)C2)CC1 1506401595 DZIOGUWQPNVZLT-LLVKDONJSA-N 291.355 0.001 0 50 CCAA CN(C)c1nc(N[C@H]2CCS(=O)(=O)C2)ncc1F 1506408483 YLAMZZBHSFCWFG-ZETCQYMHSA-N 274.321 0.281 0 50 CCAA CSCC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 1857685400 VDWBLDLTFUOKDH-KZZRWZIVSA-N 269.414 0.276 0 50 CCAA C[C@H]1CCCN(C(=O)c2cncn2C)[C@H]1C(=O)O 235639018 YOYQENRZEAYBLS-WCBMZHEXSA-N 251.286 0.745 0 50 CCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H](C1CC1)C(F)(F)F 331821728 CNZZTPIHNVTTEZ-IVZWLZJFSA-N 294.273 0.425 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)N1CCC=C(F)C1 644417149 LNYQBTXBZGGHCQ-LLVKDONJSA-N 270.304 0.446 0 50 CCAA CCc1n[nH]c(=O)c(C(=O)N[C@@H](C)C(=O)O)c1CC 237045336 GZSWXHOBTUBOGT-LURJTMIESA-N 267.285 0.098 0 50 CCAA COC(=O)[C@@H](O)CCNc1ncc(Br)cn1 1615615306 OHOKPYUTSYJKNY-ZETCQYMHSA-N 290.117 0.575 0 50 CCAA Cc1nn(C)cc1CNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 169298944 YACKRCOHVOEAOY-WYUUTHIRSA-N 293.323 0.223 0 50 CCAA CC[C@]12COC(=O)N1CCN(C(=O)Cc1cc(C)no1)C2 1857677072 QJFUAHPGOJSVTO-AWEZNQCLSA-N 293.323 0.969 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(Cc1cccn(C)c1=O)C2 1875244941 BYDDZJQUNNFDTQ-JSGCOSHPSA-N 277.368 0.148 0 50 CCAA C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1CCc2nn[nH]c2C1 408033440 LZOAFWFLKODUEL-UTLUCORTSA-N 291.355 0.022 0 50 CCAA C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CNCCO1 237662092 KIOZMKYCMNLWEG-WFASDCNBSA-N 289.379 0.842 0 50 CCAA Cc1ccn(C)c1C(=O)N1CCC(N2CCNC2=O)CC1 363911850 VQRJQJDDQTUJIF-UHFFFAOYSA-N 290.367 0.963 0 50 CCAA CSc1ncccc1C(=O)N[C@@H]1CCNC1=O 222775494 INKCRDHAFLNJLN-MRVPVSSYSA-N 251.311 0.422 0 50 CCAA CN(C)S(=O)(=O)CCN1CCC[C@H]1C(C)(C)O 407947391 GNGPOEPUCPYBQL-JTQLQIEISA-N 264.391 0.113 0 50 CCAA COc1ncccc1CN1CCO[C@@H](c2nnn(C)n2)C1 2100539575 OMWGXMBWQQWVSR-LLVKDONJSA-N 290.327 0.187 0 50 CCAA Cc1ccc(C)c(N(CC(N)=O)S(C)(=O)=O)c1 379183 QOTJQIKJFSDMKZ-UHFFFAOYSA-N 256.327 0.555 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(CCOc2ccc(F)cc2)C1 344515468 AMLXQDWBGWAUOB-STQMWFEESA-N 282.315 0.779 0 50 CCAA Cc1ccc(CC(=O)N2CC[C@H](N3CCOCC3)C2)cn1 172750423 VBFGBDGGWPFSGH-HNNXBMFYSA-N 289.379 0.866 0 50 CCAA COc1ccccc1NC(=O)CN(C)S(C)(=O)=O 22606531 IKMMEVAQLZFREP-UHFFFAOYSA-N 272.326 0.525 0 50 CCAA CCc1nc(C)sc1C(=O)N[C@@H]1CCNC[C@H]1O 77407010 WQPCXBUFGQKNAR-NXEZZACHSA-N 269.370 0.467 0 50 CCAA CCOCCNS(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC 170610367 KUEOCKLEIANCHP-VHSXEESVSA-N 279.358 0.284 0 50 CCAA CCNC(=O)C1CN(C(=O)Cc2n[nH]c3ccccc23)C1 121269403 GNYIZHNXHIDUOM-UHFFFAOYSA-N 286.335 0.700 0 50 CCAA Cc1[nH]c(C=O)cc1C(=O)N1CCN(C)C(=O)C1(C)C 253405682 OPBPAWLMWMFOTP-UHFFFAOYSA-N 277.324 0.828 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)c2ccc(CO)cc2)C1 216202618 MJNMILPWPLCCRW-AWEZNQCLSA-N 292.379 0.829 0 50 CCAA CN1CCO[C@H](CN(CC2CC2)C(=O)Nc2ccon2)C1 328635571 NKYIECIIRYAMBO-LBPRGKRZSA-N 294.355 1.249 0 50 CCAA Cc1nc(N(C)C)[nH]c(=N[C@H]2CC(=O)N3CCCC[C@@H]23)n1 328805061 NBPWYEVMTMPCOC-QWRGUYRKSA-N 290.371 0.233 0 50 CCAA CN(C)c1cccc(S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)c1 330045434 IEZFLNDXHVINSS-ITGUQSILSA-N 282.365 0.676 0 50 CCAA Cc1nn(C)cc1C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 285682924 HVKQQJMMACFKDU-CHWSQXEVSA-N 278.356 0.274 0 50 CCAA CC(=O)N[C@H](C(=O)N1CC[C@H](C(=O)O)C1)C1CCCC1 236679754 KUCWKMYHYWXBTK-RYUDHWBXSA-N 282.340 0.614 0 50 CCAA Cc1ccc(S(=O)(=O)N2CC3(CNC3)C2)cc1 74934282 GOQYFDVOQJGXBA-UHFFFAOYSA-N 252.339 0.589 0 50 CCAA CCOCCCNC(=O)[C@H](C)N1CC[C@@](O)(C(F)F)C1 451439671 OGZUEPYBLIIKIC-GWCFXTLKSA-N 294.342 0.620 0 50 CCAA O=C(NCCc1nc(-c2cccnc2)no1)[C@H]1CCCO1 223090401 WSCAPEHUXOQYHS-LLVKDONJSA-N 288.307 0.969 0 50 CCAA C[C@@H]1C[C@H]1c1cc(NC(=O)[C@H]2CN(C)CCO2)[nH]n1 246181583 HIZBZHIUPQRQGR-FXPVBKGRSA-N 264.329 0.802 0 50 CCAA CCn1cnnc1[C@@H](C)NC(=O)CCN1CCCC1 220148552 BDJCSRYMGVYUEE-LLVKDONJSA-N 265.361 0.961 0 50 CCAA O=C(CCn1cnnn1)N1CCC[C@@H]1c1nccs1 223417735 BBRFMJVENYRWQA-SECBINFHSA-N 278.341 0.883 0 50 CCAA CC(C)N1C[C@@H](NC(=O)Cc2cncnc2)CC1=O 290153325 PYNDQLMOOCLWIV-NSHDSACASA-N 262.313 0.145 0 50 CCAA Cc1c(C(=O)N2CCO[C@@H](C(=O)O)C2)cnn1C(C)(C)C 178280280 KIWWQXUIGUURSZ-LLVKDONJSA-N 295.339 0.872 0 50 CCAA COc1ccc([C@H](NC(=O)CN(C)C)C2CC(O)C2)cn1 220594771 NGFIHZAVRVFQQE-QOZQQMKHSA-N 293.367 0.580 0 50 CCAA O=C(NCC1CCCCC1)NC[C@]1(O)CCCNC1 426399016 KQBKRWGWCZRKQT-AWEZNQCLSA-N 269.389 0.980 0 50 CCAA Nc1nnc(CNC(=O)COC[C@@H]2CCCCO2)s1 223216674 ZTEYTEKDRKYUCI-QMMMGPOBSA-N 286.357 0.322 0 50 CCAA CC[C@@H](CO)NC(=O)NCCN=c1cc[nH]cc1C 426465446 LHGNBLGQMLUIPN-NSHDSACASA-N 266.345 0.294 0 50 CCAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)C1CC=CC1 222822824 MPZLYPMZARPXSX-MNOVXSKESA-N 269.297 0.328 0 50 CCAA CC[C@@H](NC(=O)CN1CCN(C)C1=O)c1ncnn1CC 426550709 YWKAZJSMEZIYPA-SNVBAGLBSA-N 294.359 0.233 0 50 CCAA Nc1nc(CCC(=O)N2CCC[C@@H]2CO)cs1 96131217 LKWYYSPPYGGHTD-SECBINFHSA-N 255.343 0.641 0 50 CCAA C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239090960 HNBWDTVDZIXTAL-NBDVKMPSSA-N 261.277 0.513 0 50 CCAA CN1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)CC1 234328494 NALKLTGEBIMDBF-WDEREUQCSA-N 254.330 0.651 0 50 CCAA Cc1noc2ncnc(NCCN3CCOC3=O)c12 95368419 AZUNSYQYJXUUSH-UHFFFAOYSA-N 263.257 0.790 0 50 CCAA COc1cccc(-c2cc(C(=O)NC[C@@H](O)CO)[nH]n2)c1 92062344 OKAUEOURIFLPLW-SNVBAGLBSA-N 291.307 0.168 0 50 CCAA O=C(O)C[C@@H]1NC(=O)N(c2ccnc(Cl)c2)C1=O 253398766 CGNHOHAHXKIUFH-LURJTMIESA-N 269.644 0.635 0 50 CCAA COC[C@H](NC(=O)Cc1nonc1C)c1ccccn1 534666198 MRXHGFUGOTVNPO-LBPRGKRZSA-N 276.296 0.819 0 50 CCAA CCc1c(C)nc(C)nc1N1CCN(CC(=O)O)C(=O)C1 534662635 LQURHIFKXXJRPM-UHFFFAOYSA-N 292.339 0.389 0 50 CCAA Cc1ccc(OCCS(=O)(=O)N2CC[C@@H](N)C2)cc1 534591504 HMGTYIDUNMOTLW-GFCCVEGCSA-N 284.381 0.737 0 50 CCAA Cc1n[nH]nc1C(=O)NCCc1noc(C2CC2)n1 299757928 ILWDPDWGYJUANC-UHFFFAOYSA-N 262.273 0.346 0 50 CCAA CSCC[C@@H](O)C(=O)NCc1noc(CC(C)C)n1 299755253 DKENONNRDCUGEB-SECBINFHSA-N 287.385 0.998 0 50 CCAA C[C@H]1CN(CC(=O)NCCc2cnn(C)c2)C[C@@H](C)O1 299755145 CNMBFOHIXFVMGU-TXEJJXNPSA-N 280.372 0.188 0 50 CCAA Cc1cc(CN(C)C(=O)[C@@H]2CCS(=O)(=O)C2)ccn1 584902027 RIQXJHUMJDTERA-GFCCVEGCSA-N 282.365 0.783 0 50 CCAA CN1CCO[C@@H](CNc2nc3ccccc3n2CCO)C1 828776499 YBKQEQPWGBLMEH-LBPRGKRZSA-N 290.367 0.771 0 50 CCAA CN(C)[C@H]1CN(C2CC(C)(C)NC(C)(C)C2)C[C@@H]1O 584886652 RQNZRLKBXQZEIK-STQMWFEESA-N 269.433 0.902 0 50 CCAA CCN1CCO[C@@H](C(=O)Nc2nccn2C2CC2)C1 1299264472 CVWBPTPCOZASKR-LLVKDONJSA-N 264.329 0.877 0 50 CCAA O=C1CC(CC(=O)N2CCC(c3nnc(O)o3)CC2)C1 1875283930 IEZZUQBXEZCXNW-UHFFFAOYSA-N 279.296 0.850 0 50 CCAA COC1(COC(=O)CC[C@@H]2CC[C@H](C(N)=O)O2)CC1 1875278416 YBQDQTDEAKTWSJ-VHSXEESVSA-N 271.313 0.522 0 50 CCAA Cc1noc(=O)n1Cc1nc2ccccc2c(=N)[nH]1 1875391492 DWOPDFAWGHHUJX-UHFFFAOYSA-N 257.253 0.549 0 50 CCAA CN1CC[C@](C)(C(=O)NCC2CCN(CCO)CC2)C1 952870072 RIGPOKFONWBXOI-HNNXBMFYSA-N 283.416 0.149 0 50 CCAA CCN1CCCC[C@H]1CNc1cc2nncn2c(N)n1 952984164 OQXXSWKCHKZMNA-JTQLQIEISA-N 275.360 0.993 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)c2cccc(F)c2F)[C@@H](O)C1 991719668 CASYDESERWRLKK-RYUDHWBXSA-N 298.289 0.676 0 50 CCAA CCC[C@H]1CN(Cc2cnc(N)nc2)C[C@@H]1C(=O)O 1565528710 JGJJEIKFGHZJDP-QWRGUYRKSA-N 264.329 0.992 0 50 CCAA C[C@]1(O)CCN(C(=O)c2ccc3nccn3c2)C[C@H]1O 1565514505 GCKPDBYIVVDJIK-RISCZKNCSA-N 275.308 0.292 0 50 CCAA CCCCOCC(=O)N1CCS(=O)(=O)C[C@H]1C 170635411 MIPXWSWBYZAKHA-SNVBAGLBSA-N 263.359 0.449 0 50 CCAA CC1(C)CN(C(=O)CS(C)(=O)=O)CC(C)(C)O1 408261944 DLDHMDCLNYHDND-UHFFFAOYSA-N 263.359 0.447 0 50 CCAA C[C@H]1CN(C(=O)c2ncccc2O)CC[S@](=O)C1 408394475 KKLXGGMOVFYOPM-YYSFKGJASA-N 268.338 0.628 0 50 CCAA CN1CCC([C@H]2OCC[C@@H]2C(=O)N(C)CC(C)(C)O)CC1 408473844 MPEOUTDFZOLQML-UONOGXRCSA-N 298.427 0.963 0 50 CCAA Cc1cc(NC(=O)Cn2cnc(C)c(C)c2=O)no1 188246979 AENUNAZZCCAZPC-UHFFFAOYSA-N 262.269 0.795 0 50 CCAA NC(=O)[C@@]1(NC(=O)c2coc3cc(F)ccc23)CCOC1 655321564 XRROKVDPLODDMM-CQSZACIVSA-N 292.266 0.946 0 50 CCAA CN1C(=O)C[C@@H](NC(=O)c2ccon2)[C@@H]1c1cccnc1 583621055 SJOVIENGHMQKBO-YPMHNXCESA-N 286.291 0.771 0 50 CCAA Cc1cc(O)cc(=O)n1Cc1nnc2ccccn12 1547200802 HIHDRSCFLCFJJX-UHFFFAOYSA-N 256.265 0.953 0 50 CCAA O=C(c1ccc(F)cc1)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704310859 UUEZJLPFXUWSPF-OKILXGFUSA-N 293.250 0.827 0 50 CCAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3cn(C)cn3)C[C@@H]2CC1=O 1704352544 VGOMUOCCTDSUGO-GRYCIOLGSA-N 290.367 0.749 0 50 CCAA CCc1cnc(N)nc1N[C@H]1CCS(=O)(=O)C1 1704313245 IYELUSRAFGLXLF-QMMMGPOBSA-N 256.331 0.220 0 50 CCAA COc1cc(O)ncc1C(=O)N[C@H]1C[C@@H](N)C12CCC2 1615554490 LJFMMXUPILMZAW-MNOVXSKESA-N 277.324 0.796 0 50 CCAA CCc1ccnc(C(=O)NC[C@@H](O)[C@H]2COC(C)(C)O2)c1 1615606425 XTQNFVAKURXWLJ-CHWSQXEVSA-N 294.351 0.886 0 50 CCAA COCCN1CC[C@@H](C(=O)N2CCC(C3(O)CC3)CC2)C1 1772812973 UFCPSBGJTFCASW-CYBMUJFWSA-N 296.411 0.718 0 50 CCAA COc1ccc(C(N)=O)cc1S(=O)(=O)N(C)C 12653631 UJXPLHVQHOUTJV-UHFFFAOYSA-N 258.299 0.044 0 50 CCAA CCc1nc(CN2CCN(C(=O)c3cn[nH]c3)CC2)no1 264801651 UFNJEXWJSJIGMU-UHFFFAOYSA-N 290.327 0.313 0 50 CCAA Nc1ccnc(N2CCC[C@]3(CCc4cnc(N)nc43)C2)n1 1704308921 SZQVBRBTZSODFB-HNNXBMFYSA-N 297.366 0.915 0 50 CCAA Cc1ncc(C(=O)N[C@@]2(CC(=O)O)CCCOC2)n1C 909691106 CNGQUPKZUQFCRX-CYBMUJFWSA-N 281.312 0.482 0 50 CCAA CCn1nc(C)c(CNC(=O)N2CCCO[C@H](C)C2)n1 824700713 KOMCCTNZRNORAV-SNVBAGLBSA-N 281.360 0.927 0 50 CCAA N=C(NCc1nc(-c2ccccc2)n[nH]1)N1CCOCC1 849000234 KIOXNEQUJMQFRV-UHFFFAOYSA-N 286.339 0.828 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCOC[C@H]1O 222635861 OQBWOQSDGCWZKZ-CHWSQXEVSA-N 281.356 0.236 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CCOC[C@H]1CC(=O)O 129304404 OVDZTCQLNXBMHF-SNVBAGLBSA-N 281.312 0.353 0 50 CCAA CS(=O)(=O)NC1CCN(C[C@@H]2CCOC2)CC1 65491667 VQHUSAGXEREVGK-JTQLQIEISA-N 262.375 0.037 0 50 CCAA Cc1nn(C)c(C)c1CC(=O)N(C)Cc1cc[nH]n1 330740582 PBEZIXDJVYULLX-UHFFFAOYSA-N 261.329 0.961 0 50 CCAA Cc1n[nH]c(=NCCCc2nn[nH]n2)c2ccccc12 392538932 SIULUNFFESGLOM-UHFFFAOYSA-N 269.312 0.918 0 50 CCAA O=C1CCCN1CC[P@@](=O)(O)CN1CCCC1=O 36739 GOALDAFNAGBEDH-UHFFFAOYSA-N 274.257 0.459 0 50 CCAA CC(=O)N[C@@H]1C[C@@H](C(=O)N(C)C(C)C)CC[C@H]1O 2100534492 KSMRJNRSTYEJEK-QJPTWQEYSA-N 256.346 0.519 0 50 CCAA CC(=O)Nc1cc(C(=O)N2CC[C@@H](CO)[C@H]2C)ccn1 2325758504 PLZVSSXEPBIHCV-SKDRFNHKSA-N 277.324 0.883 0 50 CCAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(N)=O)cc1 611140 DDXLVPKBQMYTPT-SNVBAGLBSA-N 282.321 0.160 0 50 CCAA NC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1 1051641 BWGQVJFPYWDSIL-UHFFFAOYSA-N 271.202 0.844 0 50 CCAA COc1ccc(NC(=O)CCC(=O)NCCO)cc1 2288943 OIBXVOKCKMOYFK-UHFFFAOYSA-N 266.297 0.522 0 50 CCAA C[C@]1(NC(=S)N2CCCCC2)CCS(=O)(=O)C1 4304893 OUEDVPAHPMHGMJ-NSHDSACASA-N 276.427 0.924 0 50 CCAA CS(=O)(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 6267948 RRXKSAUZALCZAG-LBPRGKRZSA-N 298.364 0.967 0 50 CCAA CC(C)[C@](O)(C(=O)O[C@@H]1CCN2CCC[C@@H]12)[C@@H](C)O 22034205 JMQIGMSZSFQWEH-GFQSEFKGSA-N 271.357 0.534 0 50 CCAA CC1=[N+]([O-])[C@H](N2CCOCC2)[C@](O)(c2ccccc2)C1 100342298 FEGKNQQSTLDZBN-LSDHHAIUSA-N 276.336 0.907 0 50 CCAA NC(=O)[C@@H]1CCCN1C(=O)C1CCN(CC(F)F)CC1 350400196 KXQSIMACJYBIAU-JTQLQIEISA-N 289.326 0.440 0 50 CCAA CC(=O)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)n(C)c1 129357157 AERHCOASQBCPAR-NSHDSACASA-N 294.307 0.543 0 50 CCAA O=C(N1CCOCC1)N1CCC[C@H](c2nc(O)n[nH]2)C1 328845500 QEZILEKGUPBWNL-VIFPVBQESA-N 281.316 0.142 0 50 CCAA C[C@@H](CN(C)c1cc(C(N)=O)ccn1)N1CCOCC1 32578151 IADCBDNSRIYDDP-NSHDSACASA-N 278.356 0.337 0 50 CCAA CCN1CN(C(=O)c2c(O)nnc(C)c2C)CC1=O 330161650 TZIJKISFLZEKPV-UHFFFAOYSA-N 264.285 0.061 0 50 CCAA CC(C)C1=NO[C@@H](C(=O)NCCc2cnccn2)C1 219756054 KJVMJMBEEHENTM-GFCCVEGCSA-N 262.313 0.936 0 50 CCAA CC1(O)CN(S(=O)(=O)C[C@@H]2CCCC2(F)F)C1 333478511 XNEQQRQDACBDCP-QMMMGPOBSA-N 269.313 0.818 0 50 CCAA C[C@@H](O)c1ccn(Cc2nsc(N(C)C)n2)n1 128880394 CKSCBYCNEFRBCH-SSDOTTSWSA-N 253.331 0.902 0 50 CCAA O=C(O)CNC(=O)c1csc(C(F)(F)F)n1 263195103 UDPPVVULEWFFLP-UHFFFAOYSA-N 254.189 0.976 0 50 CCAA C[C@@H](c1ccncn1)N(C)C(=O)CN1CCOCC1 223077768 USRYULNHXRVWES-NSHDSACASA-N 264.329 0.328 0 50 CCAA Cn1c(SCCn2cnnc2)nnc1[C@@H]1CCCNC1 426530465 OTYSUOJHNKTECM-SNVBAGLBSA-N 293.400 0.666 0 50 CCAA COCCN(C)C(=O)N[C@H](C)CCn1cccn1 426722718 VYKXKJHRZSUQJK-LLVKDONJSA-N 254.334 0.950 0 50 CCAA COCc1noc(CCNC(=O)c2cccn2C)n1 222787222 ZWVNXDOCEXIADT-UHFFFAOYSA-N 264.285 0.527 0 50 CCAA CCn1cc(CNC(=O)N2CCCC[C@@H]2CO)cn1 426379607 CUGPJXBPRRIYAO-GFCCVEGCSA-N 266.345 0.959 0 50 CCAA CC(C)Cc1cc(C(=O)NC2(C(=O)O)CC2)nc(O)n1 426380145 RMYXESDJXZWVFY-UHFFFAOYSA-N 279.296 0.728 0 50 CCAA O=C(O)CN1C[C@@H](C(=O)O)[C@H](c2ccccn2)C1 91931064 PBCMANRYQIKIIS-RKDXNWHRSA-N 250.254 0.266 0 50 CCAA CO[C@H]1CN(C(=O)NCc2cccc(C)c2)C[C@@H]1O 426593710 KZZDGRYTWMTFMM-STQMWFEESA-N 264.325 0.896 0 50 CCAA O=C(NCC1CCCCC1)NC[C@@]1(O)CCCNC1 426399017 KQBKRWGWCZRKQT-CQSZACIVSA-N 269.389 0.980 0 50 CCAA COCC1(NC(=O)c2cncc(=O)[nH]2)CCCC1 426544800 NEISUHWXGRDZIY-UHFFFAOYSA-N 251.286 0.459 0 50 CCAA CCN1CCN(Cc2nc([C@@H]3CCOC3)no2)CC1 96131705 HLAQLAURUBLSIV-LLVKDONJSA-N 266.345 0.711 0 50 CCAA Cn1cc([C@@H](NC(=O)C(=O)C(C)(C)C)[C@H]2C[C@@H](O)C2)cn1 244858479 VLYGXVXPOPWXPW-WCQGTBRESA-N 293.367 0.964 0 50 CCAA COCc1noc(CNC(=O)c2ccc(OC)nc2)n1 244735148 NTNARRUHBRPBND-UHFFFAOYSA-N 278.268 0.550 0 50 CCAA Cn1cc(CCC(=O)N2C[C@H](CO)OC(C)(C)C2)cn1 622723594 JSMQNUIBZKREHB-GFCCVEGCSA-N 281.356 0.351 0 50 CCAA Cc1cccnc1[C@H](NC(=O)Cn1cnnn1)C1CC1 534587740 BRYMBQIAMXRNLS-CYBMUJFWSA-N 272.312 0.644 0 50 CCAA CC(C)c1noc(N2CCc3nc(C(N)=O)cn3CC2)n1 1940193566 YAUJFHRQOJOVBN-UHFFFAOYSA-N 290.327 0.551 0 50 CCAA CC(=O)N[C@@H]1C[C@@H](C(=O)N2CCC(C)(C)C2)CC[C@H]1O 1940195914 VZBHWEHTUQJMPP-YNEHKIRRSA-N 282.384 0.911 0 50 CCAA Cc1cccnc1C[C@H](C)NC(=O)CCNS(C)(=O)=O 821477568 FTMUGHOSBWVUNZ-NSHDSACASA-N 299.396 0.377 0 50 CCAA CC[C@H](NC(=O)N1CCCNC(=O)C1)c1ncnn1CC 584897233 MFPDJENSZAVOKL-JTQLQIEISA-N 294.359 0.281 0 50 CCAA CN(C)CCN1CC(=O)Nc2c(F)cccc2C1=O 584896170 JNOKLAHVJOFLQF-UHFFFAOYSA-N 265.288 0.782 0 50 CCAA Cc1nccn1C[C@@H](C)CNC(=O)[C@H]1CCCN(C)C1=O 871596520 MWVRXNFNUHSVRL-WCQYABFASA-N 292.383 0.812 0 50 CCAA Cc1nnc(N2CCN(C(=O)O[C@H]3CCOC3)CC2)s1 952850088 TTYUPKQFGAJZHB-JTQLQIEISA-N 298.368 0.894 0 50 CCAA N[C@H]1CN(C(=O)c2cnc3nccn3c2)CC12CCC2 1775962608 VPUQYLBZRCEMLG-NSHDSACASA-N 271.324 0.683 0 50 CCAA Cc1ccc(Cn2cc(CN3CCNC(=O)C3)nn2)o1 899704208 JORLHKGWJLTPPO-UHFFFAOYSA-N 275.312 0.160 0 50 CCAA CCC1(Cn2cc(CN3CCOC[C@H]3C)nn2)COC1 899725194 OIPOIKWEDPMLPG-GFCCVEGCSA-N 280.372 0.925 0 50 CCAA O=C1NCCC[C@@H]1C(=O)N[C@@H](CO)c1cc(F)ccc1F 1351093393 AAEBTUVEGWKIKN-CABZTGNLSA-N 298.289 0.641 0 50 CCAA C[C@@H]1CN(CC(=O)NC[C@H]2CCCO2)[C@H](C)CO1 247985784 ZINMKISNGVQWRT-IJLUTSLNSA-N 256.346 0.391 0 50 CCAA CC(C)(C)CC(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1589740696 APHCYGRCDQPMGN-QPUJVOFHSA-N 291.369 0.427 0 50 CCAA O=C(Cc1cnn2c1CCCC2)NC[C@H]1CC[C@@H](CO)O1 633193822 RBOBBVYDOJTKAG-OLZOCXBDSA-N 293.367 0.418 0 50 CCAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@@](O)(C(N)=O)C1 225416683 NJULZQOPWJMBDY-RULNRJAQSA-N 294.376 0.609 0 50 CCAA COCCC1(C(=O)N2CCCNC(=O)[C@H]2C)CC1 189240977 WUPFQFMONKHXJJ-SNVBAGLBSA-N 254.330 0.540 0 50 CCAA COC(=O)c1c(NC(=O)[C@H]2CCCO2)nc2n1CCC2 585126365 XJIVMDBSYNPBNB-MRVPVSSYSA-N 279.296 0.733 0 50 CCAA Cc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCCC(=O)N1)CC2 193999164 OEZMRIATCDUYOQ-QWRGUYRKSA-N 291.355 0.076 0 50 CCAA O=C1CN(C(=O)c2cnc(-c3ccccc3)nc2)CCN1 194629728 SLUDMMOPAMJIQP-UHFFFAOYSA-N 282.303 0.716 0 50 CCAA CO[C@](C)(CO)CNC(=O)CCc1ccncc1 655209544 KLCBRWKDZPLQMO-ZDUSSCGKSA-N 252.314 0.528 0 50 CCAA COc1nccnc1NCCN1CCCC[C@@H]1CO 1529158741 KHZIBEXTSDAHAM-LLVKDONJSA-N 266.345 0.744 0 50 CCAA COCCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529098604 JVAWJHUTCFHFAK-KGLIPLIRSA-N 292.335 0.395 0 50 CCAA Cc1cc2c(cn1)CN(C(=O)[C@@H]1CN(C)CCO1)C2 1857719895 XZUIIHIAOWUQIH-ZDUSSCGKSA-N 261.325 0.563 0 50 CCAA Nc1ncnn2c(I)ccc12 221963211 ZEBGLCLVPCOXIV-UHFFFAOYSA-N 260.038 0.916 0 50 CCAA COc1cc(NS(=O)(=O)c2cnnn2C)cc(OC)c1 225616933 FTDHPZRBPSDXMB-UHFFFAOYSA-N 298.324 0.633 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCc1[nH]nc2ncccc12 1772804823 FKPFIQMMXIIMPL-ZETCQYMHSA-N 277.284 0.319 0 50 CCAA CCN1CCn2c(nnc2-c2cn(CC)nc2C)C1=O 1772812742 OMVFTYXXIBFDDD-UHFFFAOYSA-N 274.328 0.946 0 50 CCAA CCc1nc(C)c(CN2C[C@@H]3CNC[C@]3(CO)C2)[nH]1 1772700334 CVSNLYCLLJFOFJ-SMDDNHRTSA-N 264.373 0.294 0 50 CCAA COCCN1C(=O)N(C)C(=O)C12CCN(C(C)C)CC2 19940099 OSSXYVKDFIFYTR-UHFFFAOYSA-N 283.372 0.770 0 50 CCAA C[C@@H]1CN2C[C@H](NC(=O)c3ccc(O)cc3)C[C@H]2CO1 1857738849 BFGGISYHPVDPLW-RTXFEEFZSA-N 276.336 0.984 0 50 CCAA O=C(c1csc(O)n1)N1CCC[C@H]1CN1CCOCC1 329925528 VMTFYUSCSBFYHU-JTQLQIEISA-N 297.380 0.786 0 50 CCAA Cc1cncc(CN2CCO[C@H](Cn3ccnn3)C2)c1 639857495 MRIRHUFVGIUMBE-AWEZNQCLSA-N 273.340 0.883 0 50 CCAA O=C1CC[C@H](C(=O)Nc2ccc3c(c2F)CCNC3)N1 261679070 HHHOMIQIDUFGHB-LLVKDONJSA-N 277.299 0.689 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1cnc(N(C)C)nc1 818629852 NDMXDOPCTMIZEC-AWEZNQCLSA-N 294.355 0.608 0 50 CCAA COC(=O)CCn1ncc(N2CCCC2)cc1=O 23129073 XDVDRVIZYRUUIE-UHFFFAOYSA-N 251.286 0.407 0 50 CCAA COc1ccccc1S(=O)(=O)N1CCO[C@H]2CNC[C@H]21 299743528 OAFYVYXYRDYYGE-PWSUYJOCSA-N 298.364 0.057 0 50 CCAA C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC(C(C)(C)O)C1 408424291 UUIBREPONDIHNH-SECBINFHSA-N 270.373 0.767 0 50 CCAA CC[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]([C@H](C)O)C2)O1 408470883 ROBLXYKGSZOLHK-IRCOFANPSA-N 257.330 0.552 0 50 CCAA C[C@@H](C(=O)N1CCCC1)N(C)Cc1cnn(C)c1 78910218 LWISHXANTIQDJQ-NSHDSACASA-N 250.346 0.863 0 50 CCAA CC(=O)Nc1ccc(-c2cn(CC(N)=O)cn2)cc1 99748 PWPWINXCIAUJPT-UHFFFAOYSA-N 258.281 0.994 0 50 CCAA O=C1NCC[C@H]1N1C(=O)NC2(CC(C3CCC3)C2)C1=O 2325788289 WQVGHRSTYULNBU-OPASDULOSA-N 277.324 0.376 0 50 CCAA COC(=O)CN(c1ccccc1OC)S(C)(=O)=O 316230 MGSXCHIWGCYBQM-UHFFFAOYSA-N 273.310 0.634 0 50 CCAA COc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N)S1 544048 IRYGEILIQOZTJM-VIFPVBQESA-N 279.321 0.981 0 50 CCAA O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccccc1Cl 822787 JUZQPSVJSMGWFG-UHFFFAOYSA-N 265.656 0.969 0 50 CCAA O=C(O)CCCCSc1ncnc2[nH]c(=O)[nH]c12 6865169 AOTNURUEMMPART-UHFFFAOYSA-N 268.298 0.993 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COc2cccc(C)c2)C1 345079692 WSYQENSJJYZBID-STQMWFEESA-N 292.335 0.475 0 50 CCAA O=C(NCCc1nccs1)[C@H]1CC(=O)N(C2CC2)C1 50451848 QFKHPDJIGVAQQH-VIFPVBQESA-N 279.365 0.813 0 50 CCAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)N(C)C 247948369 KQLLFBXRWCWVGR-AXFHLTTASA-N 290.385 0.599 0 50 CCAA COC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 20220524 VVFQLWUJUYJINQ-UHFFFAOYSA-N 292.335 0.706 0 50 CCAA CC(C)CN1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 120288654 NKCAXEGGIXDEPT-GFCCVEGCSA-N 267.373 0.502 0 50 CCAA NC[C@H]1CN(Cc2ccccc2OCC(=O)O)CCO1 67774731 CJZJLBABWZXDSU-LBPRGKRZSA-N 280.324 0.310 0 50 CCAA Cc1cc(C(=O)NC[C@H](C)Oc2cccnc2)nc(N)n1 67541848 PDKVKLFADFIFJX-JTQLQIEISA-N 287.323 0.960 0 50 CCAA CCc1ncc2c(n1)CN(C(=O)CSc1ncn[nH]1)C2 67675131 OEKRJWNMANWTMC-UHFFFAOYSA-N 290.352 0.792 0 50 CCAA COc1ccccc1OC1CN(C(=O)[C@@H]2COCCO2)C1 67741723 HQTLRUQIVKVFPY-AWEZNQCLSA-N 293.319 0.700 0 50 CCAA O=C(NCc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCc2ccccc2C1 219423232 FEEOVANOUPMZEV-GFCCVEGCSA-N 299.330 0.485 0 50 CCAA Cc1cc2c(=N[C@H]3CC[S@](=O)C3)[nH]ccn2n1 330045973 IKVQYBFVWDMYFZ-XYZCENFISA-N 250.327 0.393 0 50 CCAA O=C(NCc1ccccc1CO)[C@H]1CSCN1 155216045 GPEVFHUADSIRJP-LLVKDONJSA-N 252.339 0.458 0 50 CCAA Cc1cc(NCC2(O)CCN(C)CC2)n2nccc2n1 72474995 MJWQFLPEJHDUBO-UHFFFAOYSA-N 275.356 0.906 0 50 CCAA CCNC(=O)CN1CCN(c2ncnc3c2CCC3)CC1 77406054 KXHXVNDRQIZOQV-UHFFFAOYSA-N 289.383 0.223 0 50 CCAA NC(=O)[C@H]1CCCN(C(=O)C2(C3CC3)CCOCC2)C1 373334769 VOOMDVHINYBAAA-NSHDSACASA-N 280.368 0.917 0 50 CCAA CN(CC(=O)O)C(=O)c1ccc(N2CCNC2=O)cc1 262480237 UGSXXZVUEGCSFD-UHFFFAOYSA-N 277.280 0.373 0 50 CCAA CNC(=O)c1ccc(C(=O)N(CC(=O)O)C2CC2)cn1 262760695 KRHNULWRKPHRBK-UHFFFAOYSA-N 277.280 0.130 0 50 CCAA Cc1cc(C)n2nc(SC[C@@H]3COC(=O)N3)nc2n1 496910004 IZKXKWBEJMUVDJ-QMMMGPOBSA-N 279.325 0.942 0 50 CCAA Cc1onc(N)c1S(=O)(=O)NCc1cccnc1 72240907 XVTGXOLAZSKTEV-UHFFFAOYSA-N 268.298 0.439 0 50 CCAA O=C(O)[C@@H]1C[S@@](=O)C[C@H](c2cccc(F)c2)N1 227888486 FIVVTYBRRDQOSI-KEYDSSBGSA-N 257.286 0.672 0 50 CCAA Cc1ccc2nc(CNC(=O)N[C@@H]3CNC[C@H]3O)[nH]c2c1 426490352 APBALGWILDYGFX-VXGBXAGGSA-N 289.339 0.003 0 50 CCAA Cn1ccnc1CN1CCN(C(=O)C[C@@H]2CCOC2)CC1 329776690 KCSLNMRXYBGEQL-ZDUSSCGKSA-N 292.383 0.491 0 50 CCAA Cc1nc(C)c(CC(=O)NCc2snnc2C)c(=O)[nH]1 223070304 QJPFUTXUDMQCNQ-UHFFFAOYSA-N 293.352 0.406 0 50 CCAA CCOC(=O)[C@]1(C)[C@H](N(C)C)C(C)(C)S1(=O)=O 45028140 HRHZNGNCDIBWTD-KCJUWKMLSA-N 263.359 0.445 0 50 CCAA C[C@@H](C(=O)NCCc1ncc[nH]1)N1CCCCC1 426423298 FBOKLBKOJBZREN-NSHDSACASA-N 250.346 0.943 0 50 CCAA CN(C)[C@@H]1CCCN(Cc2cn[nH]c2C(=O)O)C1 97527315 FKYUUPRUXXSROR-SNVBAGLBSA-N 252.318 0.634 0 50 CCAA CN1CCN(CC(=O)NCC2(Cn3cccn3)CC2)C1=O 426737529 PKNFZLFUKUDLTF-UHFFFAOYSA-N 291.355 0.147 0 50 CCAA CC[C@H](C(=O)NCCSc1nnnn1C)n1cccn1 91255503 ROOZNYFHIGFBOU-SECBINFHSA-N 295.372 0.266 0 50 CCAA COC[C@H](NC(=O)c1cc(C(C)C)nn1C)C(=O)O 95507159 OPLNFOVKRHUZJT-VIFPVBQESA-N 269.301 0.373 0 50 CCAA O=C1CCNC(=O)N1C[C@@H]1COc2ccccc2O1 95513050 JJPFDPPFGWGWMQ-SECBINFHSA-N 262.265 0.768 0 50 CCAA COc1cccc(C(=O)NCC(=O)N2CCOC[C@@H]2C)c1 295385399 JIRFFAJBPNRQKL-NSHDSACASA-N 292.335 0.672 0 50 CCAA Cc1nc(CNC(=O)CC[C@@H]2CCCN(C)C2)cc(=O)[nH]1 95389366 JVHQWNQQYDCSJI-LBPRGKRZSA-N 292.383 0.817 0 50 CCAA O=S(=O)(NCc1cc(C2CC2)on1)c1cn[nH]c1 534590912 FWMBHNVRZGHFAF-UHFFFAOYSA-N 268.298 0.754 0 50 CCAA CC[C@H](NS(=O)(=O)N(C)C)c1ncnn1CC 534645977 ZTARONCBQHQRJX-QMMMGPOBSA-N 261.351 0.145 0 50 CCAA CN1CCCN(c2nc(Br)n[nH]2)CC1 263584730 UZUCUIYKKZLSPN-UHFFFAOYSA-N 260.139 0.709 0 50 CCAA Cc1cccc(CCNC(=O)[C@@H](C)N2CCN(C)CC2)n1 280076996 PZXQBEOMJGMDCW-CQSZACIVSA-N 290.411 0.685 0 50 CCAA Cc1ncc2c(c1CNC(=O)CN1CCCC1)CCNC2 299790460 BHPIKLKFQWKFRL-UHFFFAOYSA-N 288.395 0.748 0 50 CCAA Cc1nc2c([nH]1)CN(CCCS(=O)(=O)N(C)C)CC2 825276919 ACMJUAJNVHAHKP-UHFFFAOYSA-N 286.401 0.358 0 50 CCAA CCc1ncc(C(=O)NCc2cncn2CCOC)cn1 584896356 SHGUERKBGCDCAT-UHFFFAOYSA-N 289.339 0.812 0 50 CCAA CCc1noc(CCNC(=O)c2csc(N)n2)n1 584900019 MDFKXXKFFSGJSK-UHFFFAOYSA-N 267.314 0.643 0 50 CCAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CCn1cnnn1 584895231 UVDZDMALOJLXHM-MRVPVSSYSA-N 277.332 0.291 0 50 CCAA Cc1ncsc1[C@@H]1CC(=O)Nc2[nH]c(=N)nc(O)c21 585655782 LIQKBXLUQWLBND-RXMQYKEDSA-N 277.309 0.834 0 50 CCAA COc1ccc(CN(C)C(=O)[C@H]2CNCCN2C)cc1C 585136614 MYSPKIHXLNIRFU-CQSZACIVSA-N 291.395 0.866 0 50 CCAA COCCc1noc(CNC(=O)N(C)[C@@H]2CCN(C)C2)n1 584892504 QEHYDAJYIADYFG-SNVBAGLBSA-N 297.359 0.104 0 50 CCAA Cn1c(O)nc2cc(C(=O)N[C@H]3C[C@@H](C(=O)O)C3)ccc21 1605467051 ODAYCDZRDWUEFC-DTORHVGOSA-N 289.291 0.872 0 50 CCAA C[C@@H]1C[C@@]12NC(=O)[C@H](CCOC(C)(C)C)NC2=O 1875319786 RRBMZAPXPXAUBS-VYUIOLGVSA-N 254.330 0.585 0 50 CCAA O=C(Cc1ccc(O)c(Cl)c1)N1C[C@H](O)[C@H](O)CO1 1875296167 ILDBAESXBFKKPF-WDEREUQCSA-N 287.699 0.084 0 50 CCAA CN(C[C@]12CCC[C@H]1OCC2)C(=O)NCc1cnn(C)n1 1365594204 ZUXGBWLRUSYDPG-TZMCWYRMSA-N 293.371 0.916 0 50 CCAA Cc1cc(C(=O)N[C@H]2CCc3[nH]c(=N)sc3C2)cnn1 577405789 LQVWTOLCGWLTHK-VIFPVBQESA-N 289.364 0.941 0 50 CCAA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)[C@@H]1CCOC1=O 275553685 FIKRTTGOBWNEHG-SDDRHHMPSA-N 294.330 0.641 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)NCCc1cnn(C)c1 276832659 HIMZODABRWKZPQ-JQWIXIFHSA-N 251.330 0.894 0 50 CCAA O=C(NCc1nnnn1CC1CC1)C1[C@@H]2CCC[C@@H]12 170598287 ZQKFFYRIVYMMER-NXEZZACHSA-N 261.329 0.745 0 50 CCAA COC(=O)CN1CCN(Cc2ncc(C)o2)CC1 170608618 XZLXTVHRKWKRMM-UHFFFAOYSA-N 253.302 0.274 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)Cc2ccn(C)n2)N(C)C1 583620231 XKDRJOJSVAZITO-STQMWFEESA-N 280.372 0.140 0 50 CCAA CCN1[C@@H](C)CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1C 585127115 QHLYIOVGKKVREW-ZOWXZIJZSA-N 281.400 0.844 0 50 CCAA CCc1cnc(NC(=O)C(=O)N2CCC(CO)CC2)s1 190354954 WMDLQUWFNQFKKF-UHFFFAOYSA-N 297.380 0.875 0 50 CCAA Cc1cc(CN2CCC(O)(C(N)=O)CC2)ccc1F 585117114 RFIKESQUIXWZRR-UHFFFAOYSA-N 266.316 0.946 0 50 CCAA O=C(O)[C@@H]1C[C@@H]1C(=O)N(C[C@@H]1CCOC1)C1CC1 225580524 NOLCIKYRMMOTAE-INTQDDNPSA-N 253.298 0.735 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2cncc(OC)c2)C1 643818805 VGRHGQLQFIJDJJ-OAHLLOKOSA-N 293.367 0.553 0 50 CCAA O[C@H]1CCN([C@H]2CCC[C@H]2NCCn2ccnc2)C1 643960907 IQERGVSLCOXNDR-MJBXVCDLSA-N 264.373 0.460 0 50 CCAA C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)CCS(=O)(=O)C1 192068545 DQTYKBUUSXMITD-LLVKDONJSA-N 296.392 0.652 0 50 CCAA Cc1noc2ncnc(N3CCN(C)C(=O)[C@H]3C)c12 192540145 DGNRDLVQJKSGQG-MRVPVSSYSA-N 261.285 0.593 0 50 CCAA CC[C@@H](C)N(Cc1ccncc1)C(=O)CNC(N)=O 1506405885 LWOJRTNSPQVWFW-SNVBAGLBSA-N 264.329 0.877 0 50 CCAA NCCN1C(=O)CC[C@@H]2CN(Cc3cnc[nH]3)CC[C@@H]21 215465908 IIWLJTLCZPBVAO-YPMHNXCESA-N 277.372 0.181 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1 238070871 GLFANVGPKKSLNO-JTQLQIEISA-N 264.285 0.231 0 50 CCAA C[C@@H]1COCCN1C(=O)C1(S(C)(=O)=O)CCCC1 356072415 HAQSVJJESZLDBT-SNVBAGLBSA-N 275.370 0.591 0 50 CCAA C[C@]1(C(=O)N2C[C@@H]3[C@@H](C2)C3(CO)CO)CCCCO1 1772702314 QVCGSQNOAKQNSA-NQBHXWOUSA-N 269.341 0.005 0 50 CCAA CN(CCCCN1CCOCC1)C[C@@H]1CCC(=O)N(C)C1 1775981267 CFCOUNZFUDUELV-HNNXBMFYSA-N 297.443 0.899 0 50 CCAA Cc1cc(C)n([C@H]2CCN(c3nc(C(=O)O)nn3C)C2)n1 1857680757 OGCRSEKQSRDAJH-JTQLQIEISA-N 290.327 0.778 0 50 CCAA O=C1N[C@H]2C[C@@H]1N(CCn1c(=O)oc3ccccc31)C2 1857716579 AZXXVNQPMCSVOJ-ONGXEEELSA-N 273.292 0.167 0 50 CCAA CCn1ccc(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)n1 1857728658 LCJQFVQNZCMJQN-KWCYVHTRSA-N 265.357 0.875 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2ccc(=N)[nH]c2)C[C@H]1O 1875247248 HNAAAUDPMYSKJK-IUODEOHRSA-N 293.367 0.480 0 50 CCAA Cc1cc(N2CCC[C@](O)(CC(N)=O)C2)nc(C2CC2)n1 643714706 ZGWHSSQRKHBCKT-HNNXBMFYSA-N 290.367 0.869 0 50 CCAA CC(=O)c1cc2c(cc1O)O[C@H]([C@@](C)(O)CO)C2 238748981 SHYHWQIISKJNHX-STQMWFEESA-N 252.266 0.642 0 50 CCAA biogenic O[C@H]1CN(c2cc(N3CCSCC3)ncn2)CC12CC2 375414287 JBLOQOVYEKPXMD-NSHDSACASA-N 292.408 0.991 0 50 CCAA O=S(=O)(NCc1ccc(CCO)cc1)N1CCC1 908265084 AHBVGWBCEKKUJS-UHFFFAOYSA-N 270.354 0.262 0 50 CCAA Cc1cc(CN2CCN(CC[S@](C)=O)CC2)nc(C)n1 851847771 VRECRKIGRSMFCS-FQEVSTJZSA-N 296.440 0.590 0 50 CCAA O=C(Nc1ncccc1CO)c1cnn2c1CCC2 827308495 KSVHZAUDDGQEMD-UHFFFAOYSA-N 258.281 0.969 0 50 CCAA O=S(=O)(c1ncc[nH]1)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21 1775999314 RXMHHFIOXMNWRV-DCAQKATOSA-N 285.369 0.724 0 50 CCAA COC(=O)NCCNS(=O)(=O)c1ccccc1 3124793 XPPWSOMKUWOZQE-UHFFFAOYSA-N 258.299 0.321 0 50 CCAA CS(=O)(=O)N[C@@H]1CCN(Cc2nc(C3CC3)no2)C1 116887582 GSUCYCJNPFSTPO-SECBINFHSA-N 286.357 0.071 0 50 CCAA O=C(O)CN(C(=O)[C@@H]1CC12CCOCC2)C1CC1 238077797 ILNBDWMMOOEFBC-JTQLQIEISA-N 253.298 0.879 0 50 CCAA O=S1(=O)CCC(CN[C@@H]2CCNC23CCC3)CC1 903471328 IPOPUFHAVJXFTQ-GFCCVEGCSA-N 272.414 0.685 0 50 CCAA O=C(NCc1ccc2nsnc2c1)[C@@H]1C[C@@H](O)CN1 828901690 UOMONIIINHFABE-KCJUWKMLSA-N 278.337 0.030 0 50 CCAA Cn1cnc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1 1345371932 WHLPZPTVDOCZHE-DGCLKSJQSA-N 256.309 0.775 0 50 CCAA CC(=O)Nc1cc(C(=O)N2CC[C@@H](CO)[C@@H]2C)ccn1 2325758502 PLZVSSXEPBIHCV-CABZTGNLSA-N 277.324 0.883 0 50 CCAA CSCC[C@H](CO)Nc1ncnc2c1CCO2 2325783826 FRALEWSXEUOAKA-MRVPVSSYSA-N 255.343 0.937 0 50 CCAA NCc1ccc(NC(=O)CS(=O)(=O)C2CC2)cc1F 2325795210 PSGAKGIAAVLMIR-UHFFFAOYSA-N 286.328 0.800 0 50 CCAA Cn1ncc(CC(=O)NC[C@H]2OCc3ccccc32)n1 2325804800 RMDYBJONQPAFIH-CYBMUJFWSA-N 272.308 0.745 0 50 CCAA CCCNC(=O)[C@@H](C)NC(=O)C(=O)C1CCOCC1 2325811313 OMLTZHFJHGMLAE-SECBINFHSA-N 270.329 0.013 0 50 CCAA CN1CCN(C(=O)c2cccc(=O)n2C)Cc2cccnc21 872306378 HSWHHFNSQDZRDG-UHFFFAOYSA-N 298.346 0.873 0 50 CCAA O=C(C1Cc2ccccc2C1)N1C[C@H]2COC[C@@]2(CO)C1 2356151658 SHPARTOYUOLHOY-RDJZCZTQSA-N 287.359 0.869 0 50 CCAA Cc1cc(-n2cnnc2CC2CCNCC2)n(C)n1 67712662 BBVDJOUJXLTQIV-UHFFFAOYSA-N 260.345 0.851 0 50 CCAA COC[C@H](NC(=O)CCN1CCCCO1)c1ccnn1C 55132456 NKDRJKIMWWIFQB-LBPRGKRZSA-N 296.371 0.641 0 50 CCAA CCCn1cnnc1CNC(=O)C1=C(C)NC(=O)N[C@H]1C 67819885 RMQXCCRGGJYZHJ-QMMMGPOBSA-N 292.343 0.280 0 50 CCAA O=C(O)c1cc2n(n1)CCCN(C(=O)[C@H]1CCCCO1)C2 65406736 INZMKADVWWAREG-GFCCVEGCSA-N 293.323 0.883 0 50 CCAA NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2c2ccco2)O1 252517552 LJJGZVNOUBUYOS-SVDPJWKOSA-N 278.308 0.532 0 50 CCAA COc1ccc(-c2cn([C@@H]3CN[C@H](C(=O)O)C3)nn2)cc1 67981719 WLBIMTCBIBAHJY-JQWIXIFHSA-N 288.307 0.941 0 50 CCAA O=S1(=O)CCC[C@@H](CS(=O)(=O)[C@@H]2CCCOC2)C1 328898266 WNSVRSLXLHPJHG-GHMZBOCLSA-N 296.410 0.405 0 50 CCAA Cc1nnnn1Cc1nc(N)nc(Nc2ccccc2)n1 154598589 ZOYXNSACIQYNOK-UHFFFAOYSA-N 283.299 0.541 0 50 CCAA O=C(NCCN1C(=O)CCCC1=O)[C@H]1C[C@@H]1C1CC1 333064073 SXJOAXMFPGKOKK-MNOVXSKESA-N 264.325 0.688 0 50 CCAA COC[C@H]1CN(C(=O)C(F)(F)C2(O)CCC2)CCO1 372335159 UUBBWFYPFSQZMT-SECBINFHSA-N 279.283 0.411 0 50 CCAA CC(C)n1nnnc1CN1CC[C@@](O)(C2CC2)C1 370093654 SWLGJHPSCYTGLD-LBPRGKRZSA-N 251.334 0.601 0 50 CCAA Cc1nc(C2CCN(C[C@@H](O)Cn3cccn3)CC2)no1 371487530 GIPZDPDIHYHQGW-CYBMUJFWSA-N 291.355 0.815 0 50 CCAA CNCC(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 237190740 WJBOFRLHLMEWSQ-XQQFMLRXSA-N 269.389 0.306 0 50 CCAA O=C(/C=C/c1cncc(O)c1)N1CCN2C(=O)NC[C@@H]2C1 373126553 QPSQQSAQOPYPJK-FMBMQGQPSA-N 288.307 0.036 0 50 CCAA COCC(COC)N1C(=O)[C@@H]2[C@H]3CCC[C@@H]3CN2C1=O 333926147 VESVPYAVADJUBJ-USWWRNFRSA-N 282.340 0.711 0 50 CCAA N[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 237928606 NTAIKFQGSBPXMI-HRDYMLBCSA-N 293.289 0.393 0 50 CCAA Cc1cc(=O)[nH]c(NCCNc2cc(C)nc3ccnn23)n1 72433174 QODSKMHFTUMLGH-UHFFFAOYSA-N 299.338 0.953 0 50 CCAA NC(=O)[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1 284913710 SQWOYCRRLZFGOI-CYBMUJFWSA-N 270.279 0.777 0 50 CCAA Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)c1 77386100 SFQLOGVSIMQWPT-LBPRGKRZSA-N 278.356 0.565 0 50 CCAA O=C(C(=O)N1CCC2(CCOCC2)CC1)N1CCOCC1 71760403 KURFDWJWWXWWMI-UHFFFAOYSA-N 296.367 0.264 0 50 CCAA CN(C[C@H]1CCCO1)c1nc(N)nc2c1CCNCC2 72477099 SVIXUTQDYVXAFE-SNVBAGLBSA-N 277.372 0.362 0 50 CCAA COc1ccc(F)cc1C(=O)N1CCC[C@](O)(C(N)=O)C1 285493807 LVHPXXYWWHTAMB-CQSZACIVSA-N 296.298 0.287 0 50 CCAA O=C(CCn1cncn1)N1CCN(c2cccnc2)CC1 222226125 AHYKRBUAKQXIII-UHFFFAOYSA-N 286.339 0.412 0 50 CCAA CN1CCC[C@H]2CN(C(=O)Cc3cnnn3C)CC[C@@H]21 612518053 WQXRODUMFMIQEP-AAEUAGOBSA-N 277.372 0.300 0 50 CCAA CCOCC(=O)N1CCC[C@@H](c2ccnn2CC(=O)O)C1 426633993 QMXBLGNKYHKWIK-LLVKDONJSA-N 295.339 0.710 0 50 CCAA CN1CCCC[C@H]1CC(=O)NCCc1cnn[nH]1 426667702 XYDNYWAFRRXBBE-NSHDSACASA-N 251.334 0.338 0 50 CCAA CN(C)[C@@H](C(=O)NCc1n[nH]c(N)n1)c1ccc(F)cc1 222746121 IANOBMGKFBWZKU-LLVKDONJSA-N 292.318 0.445 0 50 CCAA O=C(CN1CC[C@H](CO)[C@@H](O)C1)NCc1cccs1 517272368 MZFRSZCLJSMDTN-PWSUYJOCSA-N 284.381 0.039 0 50 CCAA Cc1nonc1OCCNC(=O)[C@H](C)n1cccn1 426623144 ZTRRWUXPDYBXLX-VIFPVBQESA-N 265.273 0.331 0 50 CCAA CC[C@@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O 97844343 BJTLBRQDWJFVJB-WXHSDQCUSA-N 277.368 0.573 0 50 CCAA O=C(Cc1cc[nH]n1)N1CCC(c2nnc(O)o2)CC1 339193662 DGGAGLNSADPXHL-UHFFFAOYSA-N 277.284 0.447 0 50 CCAA COCc1cc(NCCN2CCNC2=O)ncn1 92065717 NIWFDNUPQGQADA-UHFFFAOYSA-N 251.290 0.060 0 50 CCAA O=C(O)[C@H]1Cc2[nH]cnc2CN1Cc1cccc2nonc12 97447024 UJZVBISYDWRVJL-GFCCVEGCSA-N 299.290 0.957 0 50 CCAA Cc1nc(CC(=O)NCCN2CCNC2=O)c(C)s1 244708318 KRLVPLCYCIABHH-UHFFFAOYSA-N 282.369 0.444 0 50 CCAA Cc1ccn2cc(C(=O)N3C[C@H](F)C[C@H]3C(N)=O)nc2c1 299742397 HQXMTHHONYGQIV-KOLCDFICSA-N 290.298 0.681 0 50 CCAA CCc1n[nH]c([C@@H]2CN([C@H]3C[C@@H](C)OC3=O)CCO2)n1 299754181 LAWSILSMZUFVSS-UTLUCORTSA-N 280.328 0.444 0 50 CCAA CCn1ncc(C(=O)N[C@@H](CSC)C(=O)O)c1C 534669337 QZKUFZYPTYRUEP-VIFPVBQESA-N 271.342 0.757 0 50 CCAA Cc1n[nH]nc1C(=O)NC1CCN(c2cnccn2)CC1 299781176 LMLCGLYEGTXIDG-UHFFFAOYSA-N 287.327 0.302 0 50 CCAA O=C(NC[C@]1(O)CCNC1)Nc1ccc(F)c(F)c1 299773053 DBBQUNCAHNGGAZ-LBPRGKRZSA-N 271.267 0.811 0 50 CCAA CC(C)N1CCNC(=O)[C@H]1Cc1nc(-c2ccco2)n[nH]1 828314950 FEVDGCCGNDDASZ-SNVBAGLBSA-N 289.339 0.816 0 50 CCAA C[C@H](C(=O)N(C)CC1(CO)CCCC1)N1CCN(C)CC1 584899786 HJGCZSUCZNDCPQ-CQSZACIVSA-N 297.443 0.633 0 50 CCAA CCO[C@H]1CN(CC)C[C@@H]1NC(=O)CC1CCNCC1 584893636 IPLTWPOQZGEAKK-KBPBESRZSA-N 283.416 0.602 0 50 CCAA O=C(CCn1cnnn1)N[C@@H]1COc2ccccc2C1 670445429 WCPKGAVVDKFCNU-NSHDSACASA-N 273.296 0.183 0 50 CCAA CC[C@H](C(=O)N1CCN(CCC(N)=O)CC1)n1cccc1 584887642 KUGANMKWPGDYMK-CYBMUJFWSA-N 292.383 0.459 0 50 CCAA CC[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)CCO2)O1 1875276424 GQDNKRWDCMDYPP-NXEZZACHSA-N 277.342 0.133 0 50 CCAA O=C1CCNC(=O)N1Cc1nccn1CC(F)(F)F 1875278940 ZSAQDLOADKDFDB-UHFFFAOYSA-N 276.218 0.887 0 50 CCAA c1ncn(-c2cncc(N3CCC4(CCO4)CC3)n2)n1 1875252044 VMEJDYAQNQJYIQ-UHFFFAOYSA-N 272.312 0.817 0 50 CCAA CCOc1ccnc(N2CC(C3CS(=O)(=O)C3)C2)n1 1875275848 ZXBWIBJTCRDYRM-UHFFFAOYSA-N 283.353 0.356 0 50 CCAA O[C@]1(C2CC2)CCN(c2nnnn2C2CCOCC2)C1 1875271225 IGYNOIDAKSRZMP-CYBMUJFWSA-N 279.344 0.376 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)CCc1nccc(O)n1 1875369795 IOFWNUZCNVJFMK-UHFFFAOYSA-N 292.339 0.218 0 50 CCAA O=c1ccc(CO)nn1Cc1ccc2nsnc2c1 1875339986 GODCRVSDXJECIN-UHFFFAOYSA-N 274.305 0.789 0 50 CCAA Cn1cc(Cl)c(C(=O)N(CCO)Cc2nccn2C)n1 952991397 OUIOQCYZHRSARP-UHFFFAOYSA-N 297.746 0.442 0 50 CCAA Cn1nc(C(=O)N[C@@H]2C[C@H](N)C23CCC3)cc1O 1343083940 RTHVTIMMVUKBDF-DTWKUNHWSA-N 250.302 0.125 0 50 CCAA C=CC(=O)NC1CCN(C(=O)c2ccncc2)CC1 1356509065 KYRDSKWDVGVFCM-UHFFFAOYSA-N 259.309 0.988 0 50 CCAA O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1nnc(O)nc1O 1362270487 WZEQKLYQFNDGOH-HBNTYKKESA-N 298.302 0.741 0 50 CCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(c1nccc(C)n1)C2 1565529899 NUSBAKHOESJYBA-OLZOCXBDSA-N 290.367 0.859 0 50 CCAA CN=c1nc(C(=O)N2CCC[C@H](CC(=O)O)C2)cc(C)[nH]1 580042575 OZWPUSIIZSFPMC-SNVBAGLBSA-N 292.339 0.576 0 50 CCAA CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 1574169807 KQSMJSJWLAICFF-BBBLOLIVSA-N 277.342 0.290 0 50 CCAA Cc1cnn(Cc2nnnn2CC2CCOCC2)c1 277621489 YYBQUSKLOXDZLI-UHFFFAOYSA-N 262.317 0.653 0 50 CCAA CCCC(=O)NC[C@H]1CCCN(C(=O)CN(C)C)C1 170763023 ZLPWDIKQDDQESX-GFCCVEGCSA-N 269.389 0.703 0 50 CCAA CCOC(=O)c1n[nH]c(CNC(=O)c2cc(C)sn2)n1 600841926 KWBHWJLRIWFAKQ-UHFFFAOYSA-N 295.324 0.676 0 50 CCAA CCOc1ccc2c(c1)[C@H](NS(N)(=O)=O)CCO2 186649761 WEMZZTJEPGEOFJ-SNVBAGLBSA-N 272.326 0.702 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2noc(C)n2)C1 583618922 HYNDWYGGAVZVTG-RYUDHWBXSA-N 294.355 0.590 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NOC(C)(C)CO 408520331 FZDIGTZMUOVWBK-SECBINFHSA-N 288.344 0.815 0 50 CCAA COC(=O)CN(CC(=O)OC)C(=O)c1ccccc1 1724611 SCDTVONGXDCDRM-UHFFFAOYSA-N 265.265 0.475 0 50 CCAA CCc1noc([C@]2(O)CCN(C(=O)[C@@H](C)SC)C2)n1 225528032 PUBCNWAGWBZVKY-PELKAZGASA-N 285.369 0.803 0 50 CCAA CCOc1cnc(C(=O)N2C[C@@H](C)[C@H](CO)C2)cn1 191881644 STCNBFRQOKMJSI-ZJUUUORDSA-N 265.313 0.576 0 50 CCAA O=C(CCn1cccn1)N1CCOC[C@@]12CCOC2 195186794 HMKUIODFBFMTED-ZDUSSCGKSA-N 265.313 0.291 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@H]1CCN(C(C)(C)C)C1=O 911491020 JARNTTYWAWLBKN-NSHDSACASA-N 295.383 0.537 0 50 CCAA CCN(C[C@@H]1CCCCO1)C(=O)c1n[nH]c(O)n1 1506419545 FFDYBSXFDSZTJV-QMMMGPOBSA-N 254.290 0.542 0 50 CCAA COc1cc(NC(=O)NC[C@H]2CCCO2)ncn1 161824101 SGHIJHMJKVXAOQ-MRVPVSSYSA-N 252.274 0.786 0 50 CCAA Cn1cccc1C(=O)N1CCc2[nH]nc(C(=O)O)c2C1 1610608447 IQYLTSICGBUEKM-UHFFFAOYSA-N 274.280 0.645 0 50 CCAA COc1nn(C)cc1CNC(=O)[C@@H]1C[C@@H]2C[C@@H](N)[C@@H]2C1 1615554520 LQKZPMCYDJNMQJ-CNVPUSNMSA-N 278.356 0.418 0 50 CCAA Cn1cc(N2C[C@H](NC(=O)C[C@@H]3CCCO3)CC2=O)cn1 1615586428 NBCUDLRBDHOGOO-PWSUYJOCSA-N 292.339 0.211 0 50 CCAA O=C(Cn1cc(Br)cn1)N1C[C@@H](O)[C@H](F)C1 1857702737 BDXVIZBAWBNJFO-HTQZYQBOSA-N 292.108 0.187 0 50 CCAA COCCNC(=O)N1CCN(c2ccccn2)CC1 18172792 UAGAISZOZWCQTB-UHFFFAOYSA-N 264.329 0.560 0 50 CCAA Cc1nn(C)c2c1[C@H](NC(=O)c1n[nH]c(O)n1)CCC2 1857680451 NYFYHPCWJQPPFD-SSDOTTSWSA-N 276.300 0.360 0 50 CCAA N=c1[nH]nc(N2CCC(N3CCOC3=O)CC2)s1 1857732571 WKGKWJCBVLJIPO-UHFFFAOYSA-N 269.330 0.372 0 50 CCAA CCn1ccnc(N2C[C@H](C)N(CCO)[C@H](C)C2)c1=O 450796896 RKLIWWBUWZTLKU-TXEJJXNPSA-N 280.372 0.155 0 50 CCAA O=C(N1CCCC1)[C@]1(O)CCCN(Cc2cncnc2)C1 344875981 MPEHZEXCIDEQMN-HNNXBMFYSA-N 290.367 0.426 0 50 CCAA C[C@@H]1COCCCN1C(=O)NCc1nnnn1C1CC1 676501196 PNGRBLUKWBXFMQ-SECBINFHSA-N 280.332 0.328 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1C[C@H](O)CC[C@@H]1C 399238091 HXKYOYZXYUJEQA-GZMMTYOYSA-N 251.330 0.941 0 50 CCAA O=C(Cc1ccncc1)N[C@H]1COC[C@H]1Oc1cn[nH]c1 827855526 CRKHDQKKSYIGOS-QWHCGFSZSA-N 288.307 0.310 0 50 CCAA c1cn(CCN2CCN(C3CCOCC3)CC2)cn1 162136304 DUJOMSILROUPQR-UHFFFAOYSA-N 264.373 0.680 0 50 CCAA O=C(C[C@H]1CCOC1)NCCn1cnc(C(=O)O)c1 401182911 CCTNIHZVQBEOKG-SECBINFHSA-N 267.285 0.124 0 50 CCAA O=C(O)c1c[nH]nc1S(=O)(=O)NC[C@@H]1CCCC12CC2 629346658 QUSNFBACVMQSND-QMMMGPOBSA-N 299.352 0.967 0 50 CCAA COc1cccc(F)c1C(=O)N1C[C@@H](O)[C@H](F)C1 952970406 CSVISAMBMXDETI-RKDXNWHRSA-N 257.236 0.989 0 50 CCAA C[C@H]1CN(C2CC2)CCN1C(=O)CCc1nc(O)n[nH]1 2100482776 YFQAOAVAXVBUCL-VIFPVBQESA-N 279.344 0.138 0 50 CCAA CC(C)C(=O)N1CCC(CNC(=O)c2cc(O)n[nH]2)CC1 2356165879 JEJSETVDWVERMM-UHFFFAOYSA-N 294.355 0.740 0 50 CCAA NC(=O)C1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1 100065619 FCAWNOASBGEFJM-BJDJZHNGSA-N 292.335 0.233 0 50 CCAA CCc1ccc2c(c1)/C(=C1/NC(=S)NC1=O)C(=O)N2 100161454 BAXLPGZJUXQOOZ-KTKRTIGZSA-N 273.317 0.917 0 50 CCAA O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCC[C@H](N2CCNCC2=O)C1 249142353 RHNHCEXFJPPGHG-RMRHIDDWSA-N 291.395 0.455 0 50 CCAA CC(C)N(CCC(N)=O)C(=O)[C@@H]1CC(=O)OC12CCCC2 67966039 RHZGRGRJIUREKQ-NSHDSACASA-N 296.367 0.975 0 50 CCAA CN1CCC[C@@H](CN(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 115434963 IITIPIYCYWLCJM-VXGBXAGGSA-N 288.413 0.221 0 50 CCAA NC(=O)[C@@H](NC(=O)c1csc(O)n1)c1ccccc1 471651055 ZLQVHXISSCCEHP-VIFPVBQESA-N 277.305 0.805 0 50 CCAA C[C@H](C(=O)N[C@@H]1CCN2CCCC[C@@H]12)S(C)(=O)=O 229445086 MKNCEXREFDWOFL-MXWKQRLJSA-N 274.386 0.163 0 50 CCAA Cc1ccc(F)cc1-n1c(CCCO)n[nH]c1=O 65461934 SIQOBEAFQHJKQL-UHFFFAOYSA-N 251.261 0.933 0 50 CCAA COCCN1CCC[C@@H](c2nc3c([nH]2)CCCNC3=O)C1 65382403 IPRHSYVTSMNARO-LLVKDONJSA-N 292.383 0.912 0 50 CCAA CC(C)[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(O)n1 1506407111 IMMBTXBZLHJLOP-LBPRGKRZSA-N 277.324 0.726 0 50 CCAA c1cn([C@@H]2COC[C@@H]2NCc2ccc3cn[nH]c3c2)nn1 284779171 KIUDNZVYGMQHHY-UONOGXRCSA-N 284.323 0.884 0 50 CCAA Cc1nccn1C[C@H]1CCCN1c1ccc2nnnn2n1 330168563 CTEHJMSFWCYBQS-LLVKDONJSA-N 284.327 0.693 0 50 CCAA O=C1CC[C@H](C(=O)N2C[C@@H](F)C[C@@H]2CO)n2cccc21 333276140 IPSFCYJUIUNNJN-HOSYDEDBSA-N 280.299 0.937 0 50 CCAA COC(=O)C[C@H]1CN([C@@H](C)c2n[nH]c(C)n2)CCO1 331235619 FLGGANIIBFVGPK-WPRPVWTQSA-N 268.317 0.438 0 50 CCAA COc1nn(C)cc1NC(=O)N1CCOCC(F)(F)C1 331423413 HYVSGZCTRQNHEG-UHFFFAOYSA-N 290.270 0.928 0 50 CCAA CNC(=O)CN(C)C(=O)C1CCN(C2CC2)CC1 331530835 UECATGQWMIHHFK-UHFFFAOYSA-N 253.346 0.065 0 50 CCAA Cn1cc([C@]2(C)CN(C(=O)[C@@H]3CSCN3)CCO2)cn1 237714130 AUIGOPZGRRAHCI-AAEUAGOBSA-N 296.396 0.157 0 50 CCAA Cc1cc(C)n(CCCNC(=O)[C@@H]2C[C@H]2C(=O)O)n1 132950517 GOFIAXAUDMHMLU-GHMZBOCLSA-N 265.313 0.727 0 50 CCAA Cc1ncsc1Cn1nnc2c(cnn2C)c1=O 289295872 BUXRGULEJUOALK-UHFFFAOYSA-N 262.298 0.338 0 50 CCAA Cc1csc(CNS(=O)(=O)N2CCOCC2)n1 43273130 OIFYLZYSIRXAQS-UHFFFAOYSA-N 277.371 0.118 0 50 CCAA CC(C)Cc1nc(CN(C)C(=O)[C@@H]2COC(=O)N2)no1 426573168 NXZQFQWFCJTHBS-QMMMGPOBSA-N 282.300 0.335 0 50 CCAA Cc1nc(O)c(C(=O)NCCn2ccnn2)c(C)c1C 426598837 ILVAGZWNMKWXOC-UHFFFAOYSA-N 275.312 0.734 0 50 CCAA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ncc[nH]1)C2 95353678 CZQDIIQZTIQVRU-GHMZBOCLSA-N 284.385 0.266 0 50 CCAA CNCCCNC(=O)c1ccccc1-n1cnnc1 97813640 OPKWHEQHTHBHQR-UHFFFAOYSA-N 259.313 0.607 0 50 CCAA COCCCN(C(=O)c1cn[nH]n1)C1CCN(C)CC1 97213056 JOKVIQBGCAPICG-UHFFFAOYSA-N 281.360 0.378 0 50 CCAA Cc1cc(CN2CCN(C(=O)[C@H]3CCC[C@@H]3N)CC2)no1 237729163 CIHALRBHBGVISC-KBPBESRZSA-N 292.383 0.755 0 50 CCAA COC(=O)C1=C(C(=O)OC)[C@H]2O[C@H]1[C@H]1[C@H]3CC[C@@H](O3)[C@H]21 254874334 WTLDTKSKWKRNQO-MAOOENQYSA-N 280.276 0.204 0 50 CCAA CC(C)COCCC(=O)N1CCOC[C@@H]1C(=O)O 299748694 HWHJFGMIMPAFFQ-SNVBAGLBSA-N 259.302 0.361 0 50 CCAA COc1ccccc1[C@@H](O)CNC(=O)[C@]1(C)CCNC1 299740014 URWKJHSMQMOCOG-SWLSCSKDSA-N 278.352 0.844 0 50 CCAA Cc1cnc([C@H](C)NC(=O)CSCC(N)=O)[nH]1 534668896 INUGUQZHQCPGMZ-ZETCQYMHSA-N 256.331 0.114 0 50 CCAA CCN1C[C@H](NC(=O)c2ccncc2C)[C@@H](OC)C1 534656627 GHRRXZSUJFOVMQ-STQMWFEESA-N 263.341 0.839 0 50 CCAA Cn1ccnc1[C@@H](NC(=O)CCn1cnnn1)C1CC1 534582553 ARRQDQGZIKNJLU-NSHDSACASA-N 275.316 0.064 0 50 CCAA CCC(=O)N1CCCN(Cc2ccn(C)c(=O)c2)CC1 614359122 VPYIWVNKOZLKAJ-UHFFFAOYSA-N 277.368 0.830 0 50 CCAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1ccon1)CC2 299755540 FCXYVNRDMPSEOI-SUZMYJTESA-N 266.297 0.819 0 50 CCAA O=C(C1CCC1)N1CCN(C(=O)[C@H]2CCOC2)CC1 584902035 XEHCDSLRVAGHRZ-LBPRGKRZSA-N 266.341 0.494 0 50 CCAA COCC[C@H]1CN(CCn2cnnc2C)CCO1 670461301 UUNPKCOEXBFWBZ-LBPRGKRZSA-N 254.334 0.324 0 50 CCAA O=C1CCC2(CCN(C(=O)Cc3ccncc3)CC2)N1 670448681 PAAYAUVNQGXBNU-UHFFFAOYSA-N 273.336 0.895 0 50 CCAA C=CC(=O)N1CC(C(=O)N2NC(=O)C[C@H]2c2ccccc2)C1 1875387589 OXERMLAALBBTAO-ZDUSSCGKSA-N 299.330 0.636 0 50 CCAA COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)C2CC2)n[nH]1 952995373 JVXMPQZIPFWUTR-SSDOTTSWSA-N 287.341 0.615 0 50 CCAA CCOc1ccc2cc(C(=O)N3C[C@@H](N)[C@H](N)C3)[nH]c2c1 1875270218 QTSFBCDRPIVMJD-VXGBXAGGSA-N 288.351 0.677 0 50 CCAA COc1cccc(C)c1C(=O)N1CCO[C@H](C(=O)O)C1 952969215 BUNKYCLAYQLKPL-NSHDSACASA-N 279.292 0.929 0 50 CCAA O=C(O)c1cc2c(nc1Cl)CCS(=O)(=O)C2 1772770438 AUSABXKXODNCGK-UHFFFAOYSA-N 261.686 0.904 0 50 CCAA CS(=O)(=O)NCCN1CC[C@@H]2OCCC[C@H]2C1 246723886 OJIUFYQIVARVHC-QWRGUYRKSA-N 262.375 0.037 0 50 CCAA O=C(c1cn2cccnc2n1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 1337251202 CARXXSOPQXSNJE-LYIQGSDWSA-N 282.303 0.755 0 50 CCAA O=C(Cc1cccc(F)c1)NCCc1nc(=O)o[nH]1 280239725 YKMVZIVSUWHDGL-UHFFFAOYSA-N 265.244 0.403 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2ccnc(N(C)C)c2)N(C)C1 583617456 SNWMPZAAPCYCDA-STQMWFEESA-N 292.383 0.483 0 50 CCAA COC(=O)c1cnc2[nH]c(=N[C@@H]3C=C[C@H](CO)C3)ccn12 585092606 GROBYJUGPOURGF-VHSXEESVSA-N 288.307 0.287 0 50 CCAA Cc1nccn1-c1ccc(=N[C@@H]2C=C[C@H](CO)C2)[nH]n1 585093018 YIMIKYZVJYJZJR-NWDGAFQWSA-N 271.324 0.742 0 50 CCAA Cc1nonc1C(=O)N1CCC[C@H]1Cn1ccnn1 585655630 OKYMFZSODGPYHK-VIFPVBQESA-N 262.273 0.274 0 50 CCAA CC(C)[C@H](O)CN1CCC[C@@]2(CCS(=O)(=O)C2)C1 660734096 IFRWLENUUZITDU-CHWSQXEVSA-N 275.414 0.904 0 50 CCAA O=C(OCCN1CCOCC1)c1ccc(O)cc1 19313293 AJSLXVBGYKJOJG-UHFFFAOYSA-N 251.282 0.881 0 50 CCAA O=C(CCN1Cc2ccccc2C1)N[C@H]1CCNC[C@@H]1O 216893865 DNVCUSJXSCXBLD-GJZGRUSLSA-N 289.379 0.231 0 50 CCAA CCCOC(=O)[C@H](C)Nc1nnc(=S)[nH]c1O 1748842 ILVKJTDPVJACNN-YFKPBYRVSA-N 258.303 0.993 0 50 CCAA CN1CC[C@H](C(=O)N2CCC[C@@H](C(=O)O)C2)CC1=O 133063618 RVWOYEZCTHRJBL-VHSXEESVSA-N 268.313 0.178 0 50 CCAA Cc1nc(CC(=O)N(CCO)Cc2cncn2C)cs1 1704334472 JBZLSWIXEXSTJU-UHFFFAOYSA-N 294.380 0.749 0 50 CCAA CCN1CCn2c(nnc2[C@@H](C)N2CCOCC2)C1=O 1772819845 VNRDVWQHXCIQFX-SNVBAGLBSA-N 279.344 0.147 0 50 CCAA Cc1nsnc1C(=O)N[C@@H]1CCCOC12CCNCC2 1775982373 KZFNVQUWIAVOOC-SNVBAGLBSA-N 296.396 0.878 0 50 CCAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1ccc(Cl)o1 1857733686 URHPPAQGNOWMBT-IONOHQLYSA-N 275.688 0.174 0 50 CCAA O=C(O)C[C@H](NC(=S)NC1CCCCC1)C(=O)O 5017989 NDPFETQDYGYWOP-QMMMGPOBSA-N 274.342 0.711 0 50 CCAA CC1(C)Cc2c(sc3[nH]c(=O)n(CCO)c(=O)c23)CO1 17112383 XFEQERSBKGVVFL-UHFFFAOYSA-N 296.348 0.595 0 50 CCAA O=C(COc1ccc2nncn2n1)NC[C@@H]1CCCCO1 19148390 PMBLCRAYPGKVBF-JTQLQIEISA-N 291.311 0.188 0 50 CCAA O=C(OCc1ccccc1)N1CC[n+]2[nH]oc(=O)c2C1 205485568 JUYDSUDUXQIZAH-UHFFFAOYSA-O 276.272 0.408 0 50 CCAA CN1CCN(C(=O)C[C@@H]2CC2(F)F)CC12CCNCC2 1857684671 XOZJNXIQVCIPDD-LLVKDONJSA-N 287.354 0.928 0 50 CCAA CO[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1c1cnn[nH]1 621337048 JTNGZIDTWQVKRO-WCBMZHEXSA-N 280.719 0.867 0 50 CCAA O=C(NCC(=O)N1CCC[C@@H]1CO)c1cc(F)cc(F)c1 126617955 IXBTWXIKFZVCPV-GFCCVEGCSA-N 298.289 0.678 0 50 CCAA COC[C@H](C)S(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3OC 375677353 HYKLYFQNAFUKEC-DVWMECQTSA-N 289.397 0.706 0 50 CCAA CN1CC2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)C2 1271247535 QAOHQMYRBSWOTJ-CYBMUJFWSA-N 274.320 0.600 0 50 CCAA Nc1ncc(C(=O)N2CCC[C@H]2C2(O)CC2)s1 1772809278 RKWNKCIMDPMWJZ-QMMMGPOBSA-N 253.327 0.855 0 50 CCAA C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)[C@@H]1c1ccccc1 900880903 FWMIKYMSQRVZNI-WBMJQRKESA-N 287.363 0.638 0 50 CCAA C[C@@H]1OCCO[C@@H]1C(=O)N1CCC(c2ccn(C)n2)CC1 830060606 OBJSERPFNWBORK-FZMZJTMJSA-N 293.367 0.930 0 50 CCAA Cn1ncc(CNC[C@@H]2CCCO[C@H]2c2ccnn2C)n1 850297583 AOHCNZABIXYAMQ-SMDDNHRTSA-N 290.371 0.806 0 50 CCAA NCC[C@H](NC(=O)c1n[nH]c2c1CNCC2)C(F)(F)F 834861287 HNATZOKMIBLGID-QMMMGPOBSA-N 291.277 0.065 0 50 CCAA CN[C@@H]1CCCN(C(=O)CCn2ccccc2=O)C1 151011730 FCKVWOYNOZNSPZ-GFCCVEGCSA-N 263.341 0.449 0 50 CCAA NC(=O)[C@@]1(O)CCCN(c2ccnc(C(F)(F)F)c2)C1 284756485 YAEWTECDNRGXQM-LLVKDONJSA-N 289.257 0.917 0 50 CCAA CN1CCC[C@H]1C(=O)N1CCC(OCCO)CC1 408095292 MKNFSFGNXLIJSC-LBPRGKRZSA-N 256.346 0.081 0 50 CCAA CC[C@@H](NC(=O)[C@@H]1CCNCC1(F)F)C(=O)OC 343409612 APPSMRPOZOOILN-JGVFFNPUSA-N 264.272 0.299 0 50 CCAA C[C@H]1CCN(C(=O)NCc2cnn(C)n2)C[C@H]1C(=O)O 693431776 QJUMFUYCBZMGDO-WCBMZHEXSA-N 281.316 0.067 0 50 CCAA CC(=O)OC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2510579 LILHBTZTKFFRPW-NSHDSACASA-N 281.264 0.929 0 50 CCAA COC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 59272555 QEKBLYGUGNADLL-ZETCQYMHSA-N 260.290 0.318 0 50 CCAA in-vitro Cn1cc(S(=O)(=O)NCc2cscn2)cn1 51159701 AAAYGTGNWCAMOH-UHFFFAOYSA-N 258.328 0.355 0 50 CCAA O=C(NCCc1cnccn1)[C@@H]1COc2ccccc2O1 20854613 PONQIGQVHGUQDX-AWEZNQCLSA-N 285.303 0.975 0 50 CCAA O=C(O)CN1C[C@@H]2CN(C3CCCC3)C[C@]2(C(=O)O)C1 65460608 UAZBQTCMJNZOJP-QMTHXVAHSA-N 282.340 0.332 0 50 CCAA CSCC(=O)N1CCC(n2cc(CO)nn2)CC1 20777330 ZROXSCJSWLISMW-UHFFFAOYSA-N 270.358 0.297 0 50 CCAA CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 35085251 DSGBFQDACFDOAP-UHFFFAOYSA-N 258.318 0.762 0 50 CCAA CCc1nnc2ccc(NCCN3CCOCC3)nn12 31808840 XVZYHFVLUJVPLU-UHFFFAOYSA-N 276.344 0.431 0 50 CCAA C[C@H]1[C@@H](N)CCN1S(=O)(=O)c1ccc2c(c1)OCO2 331873239 KRNZNCCDGPRZEW-WPRPVWTQSA-N 284.337 0.526 0 50 CCAA Cc1cc2c(=O)n(C[C@H]3CNCCO3)cnc2s1 32587263 AVIUTSXITPODLK-SECBINFHSA-N 265.338 0.755 0 50 CCAA CC(=O)Nc1nc(C(=O)N2CCCOCC2)cs1 408049033 UFZUDGQDPYYOHD-UHFFFAOYSA-N 269.326 0.964 0 50 CCAA CCN(CC(=O)O)C1CC(NC(=O)c2ccncc2F)C1 328622378 BGEHGLCWBJPOPL-UHFFFAOYSA-N 295.314 0.888 0 50 CCAA Cc1nnsc1CN(C)Cc1c[nH]nc1C(=O)O 71775790 FRNMSVSAFBIDSY-UHFFFAOYSA-N 267.314 0.900 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)OCc2ccccc2)CN1 39952192 MDYGFJHMKWJTTE-RYUDHWBXSA-N 278.308 0.816 0 50 CCAA Cc1c(C(=O)N2CCOC[C@H]2C(=O)O)cnn1C(C)C 262748481 IENVYXVPPLHLKH-NSHDSACASA-N 281.312 0.698 0 50 CCAA CC[C@H](CO)N1CCN(C(=O)CCc2cncs2)CC1 343199732 WDCGOIAQPFSNOG-GFCCVEGCSA-N 297.424 0.991 0 50 CCAA CC(C)Cc1cc(C(=O)NCCc2nc(N)n[nH]2)n[nH]1 426555701 WXTVJVCNXNJXRE-UHFFFAOYSA-N 277.332 0.281 0 50 CCAA CC[C@H](NC(=O)c1cccc(=O)[nH]1)[C@H]1C[C@H](O)C1 223495183 HYRYLAZAOHHUNQ-AEJSXWLSSA-N 250.298 0.654 0 50 CCAA CNCc1nnc(SC[C@@H]2CCC(=O)O2)n1C 426376335 MGWRQBPFWFQNGG-ZETCQYMHSA-N 256.331 0.332 0 50 CCAA CC(C)[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1N 91713571 AWMYKLAGXQZBLI-NEPJUHHUSA-N 269.370 0.685 0 50 CCAA Cc1cnc(C)c(N2CCN(C[C@H]3COCCO3)CC2)n1 252488404 IRHZYDKKHAIFQR-AWEZNQCLSA-N 292.383 0.631 0 50 CCAA Cc1nc[nH]c1CSCCNC(=O)[C@H]1C=CCN1 534643579 DNRLOXQLTKMVEX-SNVBAGLBSA-N 266.370 0.596 0 50 CCAA O=C1O[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 586104374 CQYVSKAFZIKDOR-MNOVXSKESA-N 267.306 0.804 0 50 CCAA CC(C)n1ccc(CCNC(=O)c2cc(O)nn2C)n1 1875293652 XUMXCWSEPMKESR-UHFFFAOYSA-N 277.328 0.876 0 50 CCAA CO[C@H]1C[C@@H]2C[C@H](C(=O)NCCc3nc(O)n[nH]3)C[C@@H]21 1875280474 MLPIQVJVIRUANS-XKNYDFJKSA-N 280.328 0.230 0 50 CCAA CC1=C(C(=O)N[C@@H](CC(C)C)C(N)=O)OCCO1 952973382 SRVVHVKEECAHAA-VIFPVBQESA-N 256.302 0.281 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)c2cncnc2)C1 958528931 YTHZBEMGBJJWCP-SMDDNHRTSA-N 294.355 0.848 0 50 CCAA O=C([C@@H]1NCC12CCCC2)N1CC[C@]2(CCNC2)C1 888101876 QHCYVFGKOUTWCR-JSGCOSHPSA-N 263.385 0.731 0 50 CCAA O=C(COCc1ccccn1)N[C@@]12CCC[C@H]1NCC2 1774598150 QOYVWHZLNSTISZ-UKRRQHHQSA-N 275.352 0.999 0 50 CCAA O=C(C=C1CCSCC1)N1CC[C@@H](c2nn[nH]n2)C1 1350235614 UTAGEHXYQSEFIW-SNVBAGLBSA-N 279.369 0.969 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(C2CC2)no1 1565507368 KMXSWOMOJSVWGT-VZLIPTOUSA-N 291.351 0.999 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cnc[nH]1 276079760 WXLJCSCOZILGAH-JTQLQIEISA-N 250.302 0.396 0 50 CCAA CN(Cc1cn(C)nc1C(F)F)[C@H]1CCS(=O)(=O)C1 170598064 LXDVVZPJTDBZGG-VIFPVBQESA-N 293.339 0.977 0 50 CCAA CC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2O)CC1 170597891 FLDFEBJNVCRBSC-VXGBXAGGSA-N 268.357 0.665 0 50 CCAA Cc1nc(=NC(=O)[C@H]2CCc3cnn(C)c3C2)s[nH]1 407960657 WTJMNGFRPPPQGJ-QMMMGPOBSA-N 277.353 0.746 0 50 CCAA C[C@H]1CN(c2ncnc3[nH]c(=N)ccc23)[C@H](C)CN1C 408434359 GCLYSRPILNEXHG-VHSXEESVSA-N 272.356 0.966 0 50 CCAA CC(=O)N1CC(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)C1 188615545 DJODJFDACJEJRZ-CQSZACIVSA-N 292.335 0.966 0 50 CCAA COCCN1CCCN(C(=O)c2ccnc(C)n2)CC1=O 189058531 MVTBVKXSEJBFQN-UHFFFAOYSA-N 292.339 0.106 0 50 CCAA C[C@@H](O)CS(=O)(=O)c1ncccc1Br 193172113 MXBVVFLIYAHLSB-ZCFIWIBFSA-N 280.143 0.999 0 50 CCAA CCN(C(=O)c1nc2nc(C)cc(C)n2n1)[C@H](C)C(=O)O 659774835 JXGGJYKLTVSNKU-SECBINFHSA-N 291.311 0.676 0 50 CCAA CN1CCN([C@H]2CN(c3ccc(Cl)cn3)C[C@@H]2O)CC1 1506413102 QTNUGRDATRLTGP-STQMWFEESA-N 296.802 0.532 0 50 CCAA Cc1cc(N)n(CC(=O)NC[C@H](CO)Cc2ccco2)n1 1506431607 RHFAKMQTWNBKLO-LLVKDONJSA-N 292.339 0.334 0 50 CCAA Cc1nn2c(=O)/c(=C/c3ccccc3)sc2nc1=O 137813 AAFUPLNBCVQQBL-YFHOEESVSA-N 271.301 0.367 0 50 CCAA CC1(C)CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1O 408266835 UGQLANKUKGEVRO-SNVBAGLBSA-N 266.345 0.876 0 50 CCAA Cc1ncc(CN2CC3(C2)CN(C)C(=O)O3)n1C 826130350 HDPJZMVFKIZLJO-UHFFFAOYSA-N 250.302 0.365 0 50 CCAA CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@@H](C)S(=O)(=O)CC1 248750477 GHFFEBBLEQWIIL-QJPTWQEYSA-N 290.429 0.799 0 50 CCAA O=C(CCn1cccn1)N1CCCN([C@H]2CCOC2)CC1 1775984540 YLRQPFPEYAYPEX-AWEZNQCLSA-N 292.383 0.596 0 50 CCAA Cc1csc(CN2C[C@@H]3CNC[C@@]3(CO)C2)n1 1772705873 CAIAKWDJXHCIDO-JQWIXIFHSA-N 253.371 0.465 0 50 CCAA O=C1CC2(CCN(CC[C@H]3COCCO3)CC2)CC(=O)N1 1775977794 JILLZNCKTULSSK-LBPRGKRZSA-N 296.367 0.311 0 50 CCAA Nc1nnc(COc2ccc(S(=O)(=O)O)cc2)s1 12404531 BRKKWRQBGKCIRW-UHFFFAOYSA-N 287.322 0.946 0 50 CCAA Cc1ncc(C(=O)N[C@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)[nH]1 1857713420 IBCCRIPPXMQQDJ-OBJOEFQTSA-N 290.367 0.700 0 50 CCAA O=C1C[C@H](CC(=O)N2CCOC3(CCCCC3)C2)C(=O)N1 408523406 RLRAAMBEQYQDGC-LLVKDONJSA-N 294.351 0.601 0 50 CCAA COCCN(C(=O)Cn1ncn(C)c1=O)c1ccccc1 456387182 KQRIUIFLDORJNQ-UHFFFAOYSA-N 290.323 0.261 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)N2CCNCC2)cc1 36089809 HMBMCJNYWPOZKR-UHFFFAOYSA-N 283.353 0.239 0 50 CCAA in-vitro CC(C)n1cnnc1CN1CCN([C@H]2CCNC2)CC1 299763589 YFAJCIWHQBGSGS-ZDUSSCGKSA-N 278.404 0.339 0 50 CCAA CC1CCC(N(C)C(=O)[C@@H]2CNCCN2C)CC1 686924806 PCKVWNSUVVGLFV-BPCQOVAHSA-N 253.390 0.927 0 50 CCAA O=C(N[C@@H]1CCN(C(=O)Cn2cccn2)C1)c1ccccc1 939175838 SNVMSARCFUNCMQ-CQSZACIVSA-N 298.346 0.914 0 50 CCAA Cn1nccc1Cc1noc([C@H]2CCc3nn[nH]c3C2)n1 952893771 JZBOBPRQGIUFHI-QMMMGPOBSA-N 285.311 0.785 0 50 CCAA O=C(N[C@@H]1CCNC2(CCC2)C1)c1cc[nH]c(=O)c1 236404171 VZNJSBCADXFDFG-LLVKDONJSA-N 261.325 0.779 0 50 CCAA NCCc1c(C(=O)O)[nH]c2ccc(S(N)(=O)=O)cc12 1234763 DTDWTGOKQXXRST-UHFFFAOYSA-N 283.309 0.015 0 50 CCAA COCCCNC(=O)CCCC(=O)NCCCOC 4197539 DUNNILLHIMSPSA-UHFFFAOYSA-N 274.361 0.462 0 50 CCAA C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=NN3)n(C)c1=O 6665569 LJYQBPJSHNUHGJ-SNAWJCMRSA-N 288.311 0.274 0 50 CCAA CN(Cc1ncc[nH]1)c1nccc(N2CC[C@@H](O)C2)n1 106256729 SMYVOLFQNUWDJY-SNVBAGLBSA-N 274.328 0.407 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H](N2CCNCC2)C1 65336808 HCNFKJFDUHUDTA-LLVKDONJSA-N 255.362 0.901 0 50 CCAA Cc1cc(NCCc2ncc[nH]2)nc(N2CCOCC2)n1 65508221 BLIMLSLRYFBXLP-UHFFFAOYSA-N 288.355 0.999 0 50 CCAA COCCOCCOCCOCCOCCC(=O)O 79016467 KTTNUZHOERZAMX-UHFFFAOYSA-N 280.317 0.174 0 50 CCAA C[C@H](OCC1CC1)C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 229305506 DGAPLYNHKUSGSO-YDHLFZDLSA-N 296.411 0.981 0 50 CCAA CSCC[C@H](NC(=O)Cc1c(C)n[nH]c1C)C(=O)O 37431182 IAOJXYIHLZZIIF-JTQLQIEISA-N 285.369 0.892 0 50 CCAA COC[C@@H](CCO)N=c1[nH]ccn2c(C(C)C)nnc12 357497838 BHSKCIKFBPYNIO-SNVBAGLBSA-N 279.344 0.479 0 50 CCAA CC(C)c1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)nn1C 236600973 LMDRWNUEUDFDMR-SNVBAGLBSA-N 295.339 0.859 0 50 CCAA Cc1nn(C)c(C)c1CCNC(=O)[C@H]1NCCO[C@@H]1C 261961516 POTAVOPUJWGGSI-YPMHNXCESA-N 280.372 0.073 0 50 CCAA CCc1ccnc(C(=O)N2CCN3C(=O)N=C(O)[C@H]3C2)c1 329178090 CMRVYYLDFNUMEB-LLVKDONJSA-N 288.307 0.861 0 50 CCAA CN(CC1CC1)C[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 329619525 TXFWFOOPRNOKBM-LBPRGKRZSA-N 279.388 0.272 0 50 CCAA CN1CC(=O)N(C[C@@]2(N3CCOCC3)CCSC2)C1=O 371493397 PLWAYHLUJHCHFL-ZDUSSCGKSA-N 299.396 0.088 0 50 CCAA CSc1ncc(C(=O)NC[C@H]2CCOC2)cn1 219903116 HHDOXZDJMKCRIX-MRVPVSSYSA-N 253.327 0.965 0 50 CCAA O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 72153153 QVTIEOFOWMPRSM-STQMWFEESA-N 283.335 0.904 0 50 CCAA CNCC(=O)NC[C@H](c1sccc1C)N(C)C 71405813 ZHHLWVHRPPEXLZ-SNVBAGLBSA-N 255.387 0.995 0 50 CCAA NCC1(C(=O)N2CCC[C@H](CC(N)=O)C2)CCCC1 238001031 JGYIUBAOTPXBAO-LLVKDONJSA-N 267.373 0.620 0 50 CCAA O=C1CC[C@@H](NC(=O)N2CCOCC2)[C@@H](C2CC2)N1 335557482 NIVQIHGUICSUFN-ZYHUDNBSSA-N 267.329 0.085 0 50 CCAA O=C(Cn1ccnc1)N1CCC(N2CCC[C@@H](O)C2)CC1 72168402 JCLQHZWGNCJLSG-CQSZACIVSA-N 292.383 0.331 0 50 CCAA CO[C@H]1CNC[C@H]1NC(=O)/C=C/c1ccc(C)o1 134067937 SSFNNPAHCNAJMC-AIIUZBJTSA-N 250.298 0.704 0 50 CCAA O=C1[C@H]2OC[C@@H](O2)[C@@H]2ON=C(c3ccc4c(c3)OCO4)[C@@H]12 226537069 MLNVNWPJCRTWRD-OAACRXHESA-N 289.243 0.459 0 50 CCAA NC(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1 223455482 QNHMGLGVHFDISQ-WOPDTQHZSA-N 296.348 0.241 0 50 CCAA O=C(NCCN1CCCC1=O)c1ccn(C(F)F)n1 220344925 VUNCUKJMZXFWGD-UHFFFAOYSA-N 272.255 0.630 0 50 CCAA O=C(c1cnc2c(c1)CCCC2)N1CCS(=O)(=O)CC1 97294666 XXCBEVWISCIMIX-UHFFFAOYSA-N 294.376 0.831 0 50 CCAA Cc1ccc(CNC(=O)[C@H]2CCC(=O)NC(=O)N2)cc1C 97694979 YREDJDUDQDPFLG-GFCCVEGCSA-N 289.335 0.908 0 50 CCAA Cc1nc(CN2CCN(c3nnc(C)o3)CC2)no1 95374031 AZMKIXZEDIKIMJ-UHFFFAOYSA-N 264.289 0.392 0 50 CCAA Cc1ccc(CNC(=O)C[C@@H]2CN(C)CCN2C)o1 244795827 ROIMXHJBJBGSLP-GFCCVEGCSA-N 265.357 0.840 0 50 CCAA COCCN1CC[C@@H](CNC(=O)c2cn[nH]c2)C1 252502614 URQCFPSHWBTCOI-JTQLQIEISA-N 252.318 0.108 0 50 CCAA C[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@@H](C)N1 252656648 KNPANKPCMSNBMI-UTUOFQBUSA-N 256.346 0.248 0 50 CCAA CC[C@@H](NC(=O)Cn1ccccc1=O)c1ncnn1CC 534583222 DMGFDUOWVWLRIJ-LLVKDONJSA-N 289.339 0.727 0 50 CCAA O=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1nc[nH]n1 534640901 IICOFQVMGMTBQG-GFCCVEGCSA-N 286.339 0.594 0 50 CCAA O=C(C[C@@H]1CCOC1)N1CCC(CN2CCOCC2)CC1 364814273 CFRFKXUKTMVCOM-HNNXBMFYSA-N 296.411 0.984 0 50 CCAA Cc1nnc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)[nH]1 285307458 HUWJETOWNWUKRX-ZCFIWIBFSA-N 285.329 0.757 0 50 CCAA CN1CCCCC[C@H]1C(=O)N1CCS(=O)(=O)CC1 823778625 HVCSOUXQCROODN-NSHDSACASA-N 274.386 0.118 0 50 CCAA CNc1ncc(C(=O)NCc2noc(C(C)C)n2)cn1 824095395 PFLZLACANJUOMA-UHFFFAOYSA-N 276.300 0.955 0 50 CCAA Cc1nn[nH]c1C(=O)N(C)C[C@@H]1CCN(C)C1(C)C 584889770 UETQIQYJJFLLJY-JTQLQIEISA-N 265.361 0.915 0 50 CCAA CN1C[C@@H](CNC(=O)c2ccc3ncccc3c2)OCC1=O 670459505 ZPYWMWPYQAJNEB-CYBMUJFWSA-N 299.330 0.822 0 50 CCAA Cc1cnc(CN2CCN(c3cc(C)nc(N)n3)CC2)cn1 670428832 RSPKHJTWBOWGTQ-UHFFFAOYSA-N 299.382 0.788 0 50 CCAA CC1=C(C(=O)NCCCN2CCC[C@@H](CO)C2)OCCO1 952992180 ZUEVUJYFFVQAKL-CYBMUJFWSA-N 298.383 0.475 0 50 CCAA CC(C)(C)NC(=O)CN1CCN(C(=O)c2cc[nH]c2)CC1 952967197 KYRPFVYXWGGODW-UHFFFAOYSA-N 292.383 0.687 0 50 CCAA CCCN1CCC(CC(=O)N2CCO[C@H](CN)C2)CC1 952969867 GMEFWXAAOZXDNV-CQSZACIVSA-N 283.416 0.685 0 50 CCAA CCC1(CC)CNC(=O)[C@H]1NC(=O)CCc1cn(C)nn1 886731604 JNENWZVVVKFMSB-GFCCVEGCSA-N 293.371 0.169 0 50 CCAA C=CC(=O)NCCNC(=O)c1cncnc1C1CC1 1565593088 AHVDXEJFWPZWLW-UHFFFAOYSA-N 260.297 0.386 0 50 CCAA CC[C@@H](CO)NCc1cnc(N2CCOCC2)s1 186521451 JYBGPGZCXMMPRP-JTQLQIEISA-N 271.386 0.840 0 50 CCAA Cc1ccc(S(=O)(=O)CC(=O)N2CCNC2=O)cc1C 276836789 BVLBYFYAEREPDP-UHFFFAOYSA-N 296.348 0.629 0 50 CCAA Cc1cncc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c1 170619097 LAKRRHWDADKQCS-CHWSQXEVSA-N 277.368 0.917 0 50 CCAA CN(Cc1nc(=O)o[nH]1)C(=O)CCc1ccccc1 640452245 UZLSUBFIOZVNSE-UHFFFAOYSA-N 261.281 0.954 0 50 CCAA Nc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cc1 650191069 YKLHSJYBGXALMZ-XJFOESAGSA-N 292.360 0.843 0 50 CCAA CC[C@H](NC(=O)C1(O)CNC1)c1c(C)noc1C 662804538 AUKUXXKIQZSCHK-VIFPVBQESA-N 253.302 0.193 0 50 CCAA O=C(N[C@H]1C[C@@H]1c1cccnc1)c1ccc2c(c1)COB2O 584984287 TZENHLXHUCGHAB-HIFRSBDPSA-N 294.119 0.585 0 50 CCAA O=C(NCc1ccccc1)N1CCOC2(CNC2)C1 333221448 WQMQWSCCYDESKR-UHFFFAOYSA-N 261.325 0.570 0 50 CCAA O=C(NCCn1ccnn1)c1cnc(O)c(Cl)c1 1857690435 CKVRDYHTAOIRMK-UHFFFAOYSA-N 267.676 0.462 0 50 CCAA Cc1nc(C)c(I)c(=O)[nH]1 5634666 LLRCHCURQABDLS-UHFFFAOYSA-N 250.039 0.991 0 50 CCAA CN1CCN(CN2C(=O)C(=O)c3ccccc32)CC1 19536481 IKMDHAUGGJHNHD-UHFFFAOYSA-N 259.309 0.421 0 50 CCAA Nc1ccc2ncnc(N3CCO[C@@H](CO)C3)c2c1 167748063 BLCHUJURUIXFSB-SNVBAGLBSA-N 260.297 0.410 0 50 CCAA CC(=O)c1ccc(N2C[C@H]3COC[C@@H](C2)C(=O)N3)nc1 1875245966 VALMHERLJQVYGZ-NEPJUHHUSA-N 275.308 0.235 0 50 CCAA C1CN(P(N2CCOCC2)N2CCOCC2)CCO1 394037 CYABZYIVQJYRDT-UHFFFAOYSA-N 289.316 0.210 0 50 CCAA in-vitro NC(=O)[C@@H]1CCN(c2cc(N3CCCC3)ncn2)C1 225478185 CDTGBJOBJSMOMI-SNVBAGLBSA-N 261.329 0.388 0 50 CCAA COCCn1nnnc1NC(=O)c1ccoc1Cl 906296410 VTBLWLWRDNTEOQ-UHFFFAOYSA-N 271.664 0.818 0 50 CCAA Cc1nc(N2CCN(C[C@](C)(O)C(F)F)CC2)n[nH]1 931631032 DYQHEEYIBMUWIC-NSHDSACASA-N 275.303 0.251 0 50 CCAA CCCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 2499810 LNQRHBVRDLBJPZ-JTQLQIEISA-N 262.375 0.574 0 50 CCAA CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 224589847 ZEEPTVVVHRTIFO-GMTAPVOTSA-N 282.340 0.614 0 50 CCAA O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCO2)CC1 2865512 DFQJRGFPAIQFCT-GFCCVEGCSA-N 278.308 0.743 0 50 CCAA Cc1cnccc1C(=O)NCC1(O)CCN(C)CC1 274672589 PSWVIGGUNBIZGS-UHFFFAOYSA-N 263.341 0.577 0 50 CCAA OC[C@]1(O)CCCN(Cc2nc3ccccc3[nH]2)C1 72474348 AIJHIDBTOJWODR-AWEZNQCLSA-N 261.325 0.882 0 50 CCAA CC[C@@]1(O)CCCN(S(=O)(=O)N2CCCCC2)C1 632665803 DADWLCDLCAIXDZ-GFCCVEGCSA-N 276.402 0.954 0 50 CCAA O=C(C[C@H]1CCCCO1)N[C@H]1CCO[C@H]1C(=O)O 703015182 BTXZSXXSPLNCIV-WCABBAIRSA-N 257.286 0.304 0 50 CCAA NC(=O)NC(=O)C[C@H]1Sc2ccccc2NC1=O 89284 NNVZBOHALKWGFI-MRVPVSSYSA-N 265.294 0.684 0 50 CCAA COC(=O)CNC(=O)[C@@H]1COc2ccccc2O1 103638 PMXOTHYDWSWHDH-JTQLQIEISA-N 251.238 0.116 0 50 CCAA COC(=O)c1ccc(OC[C@@H]2CNC(=O)O2)cc1 380681 YNAGFUQOMIAQJN-JTQLQIEISA-N 251.238 0.960 0 50 CCAA CC[C@H](CO)NC(=O)C(=O)NCc1ccc(Cl)cc1 2854044 AXFZBIYCMWWHHP-LLVKDONJSA-N 284.743 0.843 0 50 CCAA COc1cccc([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1 9317867 RKKHKCXYWWGKQE-SECBINFHSA-N 286.291 0.835 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N[C@@H](CN)C1CCCC1 420432949 HXOQNTIYSYFUSG-NSHDSACASA-N 286.401 0.524 0 50 CCAA Cc1ccsc1S(=O)(=O)NCC1(CC(N)=O)CC1 420699406 BVIUMOXDVFABMG-UHFFFAOYSA-N 288.394 0.990 0 50 CCAA CN1CCN(C(=O)c2ccc3c(c2)CCO3)CC1=O 20451449 ZGZGVOXZUWBUFF-UHFFFAOYSA-N 260.293 0.536 0 50 CCAA CNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245455 SRXLWPNCVGMBKY-UHFFFAOYSA-N 271.342 0.289 0 50 CCAA CC(C)(C)S[C@H]1CS(=O)(=O)[C@H]1S(C)(=O)=O 22204641 LTXPYUSZJNDHGF-NKWVEPMBSA-N 272.413 0.686 0 50 CCAA CC(C)Cn1c(=O)n(CCO)c(=O)c2ccccc21 170624535 ILHQRCDPFAVCIJ-UHFFFAOYSA-N 262.309 0.812 0 50 CCAA O=C1CC[C@@H](NC(=O)c2ccc3ocnc3c2)C(=O)N1 1149388969 XFOPCIRQHUHRPJ-MRVPVSSYSA-N 273.248 0.363 0 50 CCAA CNc1nc(C(=O)NC[C@@H]2CCN(CCOC)C2)cs1 121615500 WAWBCIUEVCPUBT-JTQLQIEISA-N 298.412 0.883 0 50 CCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(C(C)C)on1 67692101 FHFPOARPYUHAKJ-ONGXEEELSA-N 294.355 0.476 0 50 CCAA NC(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 72168700 RCMIVFKQVRYYOQ-LLVKDONJSA-N 299.733 0.655 0 50 CCAA N[C@H]1C[C@H](CO)N(C(=O)OCc2ccccc2)C1 39952213 JOOCDHCBMLBIIN-NWDGAFQWSA-N 250.298 0.717 0 50 CCAA CC[C@@H](O)C(=O)N1CCc2c(nc(C)nc2N(C)C)C1 72128892 OXBFEUGXLRBPLB-GFCCVEGCSA-N 278.356 0.507 0 50 CCAA CC[C@H](NC(=O)c1cnc(N)nc1C)c1nc(C)no1 219880905 SOZUWOVCYXSCGS-VIFPVBQESA-N 276.300 0.940 0 50 CCAA Cc1cc2c(NCCn3cc(C(=O)O)nn3)nccn2n1 128829997 PWUGWCHIEBZTFG-UHFFFAOYSA-N 287.283 0.440 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(C)n2C)C1 284806950 KMLDDEIEFROFPS-ONGXEEELSA-N 265.313 0.048 0 50 CCAA CN1CC[C@H](C(=O)N2CCOCC(F)(F)C2)CC1=O 335918484 DKOZPHWRSKSWRZ-VIFPVBQESA-N 276.283 0.349 0 50 CCAA O=C(N[C@H](C(=O)O)[C@@H]1CCCOC1)C1CC=CC1 262854348 UOCLVRCNAXUZAD-MNOVXSKESA-N 253.298 0.949 0 50 CCAA C[C@H](C(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1)S(C)(=O)=O 378049612 ZEUBVBSAADMJSW-MXWKQRLJSA-N 289.397 0.836 0 50 CCAA Cc1cc(C(=O)NC2(CO)CC2)ccc1-n1cncn1 338250357 HTJONOVYDZPURJ-UHFFFAOYSA-N 272.308 0.830 0 50 CCAA CC(C)C[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)O 178259504 ULVYXTDJZHWZLA-MNOVXSKESA-N 284.356 0.718 0 50 CCAA N[C@H]1[C@H]2CC[C@@H]1CN(Cc1cnc(NCC(=O)O)nc1)C2 426589102 RHVBXRRIWVJMBP-PTEHBNRSSA-N 291.355 0.142 0 50 CCAA Cc1cccnc1C[C@@H](C)NC(=O)Cn1ccnn1 426398260 XWYUNKUUVWFIAC-LLVKDONJSA-N 259.313 0.729 0 50 CCAA CN1CCCC[C@H]1CC(=O)NCCn1cncn1 426618120 KTBFAMATKYBKLY-NSHDSACASA-N 251.334 0.269 0 50 CCAA CC(C)C[C@H](CC(=O)O)NC(=O)C1(O)CCN(C)CC1 426370825 TVIRPEFINXDQMO-LLVKDONJSA-N 286.372 0.449 0 50 CCAA O=C(NCc1nnn[nH]1)C1CCN(C2CCCCC2)CC1 95362246 MYZIRJPIFIXXFH-UHFFFAOYSA-N 292.387 0.861 0 50 CCAA CCCc1cc(C(=O)N[C@@H](CC)C(=O)O)n(C)n1 95388880 OETBGDPKUKCVMY-VIFPVBQESA-N 253.302 0.966 0 50 CCAA CC[C@@H](C(=O)NCc1nnc2n1CCC2)n1cccn1 91563286 RJMMDKDKRHGNOH-JTQLQIEISA-N 274.328 0.688 0 50 CCAA NC(=O)CN1CCC(c2nc([C@@H]3CCOC3)no2)CC1 96136057 UTIDEQYXDDBXQR-SNVBAGLBSA-N 280.328 0.238 0 50 CCAA COCC(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 95392361 CHFCCWHHGCVQPM-ZDUSSCGKSA-N 294.399 0.797 0 50 CCAA O=C1NCC2(CN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)N1 426598834 IKQIEMBKNPFCLB-UHFFFAOYSA-N 297.318 0.584 0 50 CCAA O=C(Cn1ccnc1)N[C@H]1CCCN(c2ncccn2)C1 243902030 BFFNOPRCTXIGFZ-LBPRGKRZSA-N 286.339 0.458 0 50 CCAA O=C1C[C@@H](n2nnnc2-c2cccs2)[C@H]2CO[C@H]1O2 254291187 VWUNTULVYFUYNS-HLEGCSNESA-N 278.293 0.657 0 50 CCAA C[C@@H](C(=O)N1CCO[C@H](c2ccccc2)C1)n1cnnn1 524733469 TYAFJZPCERRKOP-AAEUAGOBSA-N 287.323 0.834 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)[C@H]1Cc2cc(F)ccc2O1 299747860 FJRGGEBOMZTTAU-ZYHUDNBSSA-N 295.266 0.441 0 50 CCAA O=C(Nc1ccc2cn[nH]c2c1)N[C@@H]1CNCC[C@H]1O 299777951 FGNMSXYFMPZKFK-VXGBXAGGSA-N 275.312 0.407 0 50 CCAA Cc1nncn1CCN1CCC([C@H](C)CO)CC1 828652165 SNSHFMASACSMNX-LLVKDONJSA-N 252.362 0.927 0 50 CCAA CC(C)n1cnnc1CCN[C@H](C)CS(C)(=O)=O 821381961 WIMVRYPNMBXQHI-SNVBAGLBSA-N 274.390 0.424 0 50 CCAA O=C(c1nc2ncccn2n1)N1CCC(c2nc[nH]n2)CC1 584903660 BXKAOYUFBXUKLZ-UHFFFAOYSA-N 298.310 0.262 0 50 CCAA COCCN(Cc1ccco1)C(=O)[C@H]1C[C@@H]1C(=O)O 268908958 LYUAVUOJONFQKT-QWRGUYRKSA-N 267.281 0.975 0 50 CCAA O=C(C1CCC1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 584895185 RYPNGYGKVPKOOE-STQMWFEESA-N 252.358 0.844 0 50 CCAA COc1cccc([C@H]2CCN(S(N)(=O)=O)C2)c1OC 670456070 RPDYCXOQDRYMIP-VIFPVBQESA-N 286.353 0.697 0 50 CCAA Cc1nccn1CC(=O)N1C[C@H](O)[C@@H](OC(C)C)C1 670461187 QQEJHQHFKRVYLR-RYUDHWBXSA-N 267.329 0.188 0 50 CCAA CS(=O)(=O)Nc1ccc([C@H]2CC[C@@H](N)CN2)cc1 757211916 KXBQXMYIHZQKFL-ZYHUDNBSSA-N 269.370 0.810 0 50 CCAA COc1ccnc(NC[C@@H](O)c2c(C)nn(C)c2C)n1 1875275879 GIVMMFHUBQADJC-SNVBAGLBSA-N 277.328 0.981 0 50 CCAA CO[C@H]1CCCCN(CC(=O)Nc2c(C)n[nH]c2C)C1=O 886087965 FSBBKTYFGJONPK-NSHDSACASA-N 294.355 0.993 0 50 CCAA CCN(C)c1cc(N2CCN3C(=O)OC[C@H]3C2)ncn1 1149494096 GOJILRWYOBWWIS-SNVBAGLBSA-N 277.328 0.574 0 50 CCAA Cc1[nH]nc(CN=c2ncnc3[nH][nH]c(C)c2-3)c1C 1775987077 UWRYVMGAGDWCPT-UHFFFAOYSA-N 257.301 0.987 0 50 CCAA Cc1nnc(O)c(CN=c2ncnc3[nH]n(C)cc2-3)c1C 1341038584 YVOPFUCAJZUDEA-UHFFFAOYSA-N 285.311 0.461 0 50 CCAA CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H](C(=O)O)C1 1535054644 HPTDFNPGWXZMAA-QMMMGPOBSA-N 293.341 0.353 0 50 CCAA COc1cc(CN(C)CCC(=O)N(C)OC)sn1 1198122700 UQHHVWMEWNOOIS-UHFFFAOYSA-N 273.358 0.993 0 50 CCAA COC[C@H](C)S(=O)(=O)NC[C@@H]1CCc2nccn2C1 275373901 XUGHVEXKTQUMNE-QWRGUYRKSA-N 287.385 0.400 0 50 CCAA Cc1noc(C)c1CC(=O)N1CC[C@@](C)(O)[C@@H](O)C1 96148234 XYVQHUCGTYZOJM-WCQYABFASA-N 268.313 0.178 0 50 CCAA CC[C@H](C(=O)N1CC(O)(CC)C1)N1CCCC1=O 407996328 LTOSQXKKBVMGGX-SNVBAGLBSA-N 254.330 0.371 0 50 CCAA CNC(=O)c1ccc(/C=C/C(=O)N2CCN[C@H](C)C2)cc1 188415867 FYOQPDYUOPESQK-FZKGZDJFSA-N 287.363 0.880 0 50 CCAA CCNC(=O)CNC(=O)c1c[nH]c(=O)c2ccccc12 188649069 WCBQYRCESROKKX-UHFFFAOYSA-N 273.292 0.394 0 50 CCAA COCC1(NC(=O)c2nc(C)c(C)[nH]c2=O)CCOCC1 554357418 SOMZPRDLJNFHEK-UHFFFAOYSA-N 295.339 0.312 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)NCC1(CO)CCOCC1 189683066 WGLLGJUEMLSAOH-RYUDHWBXSA-N 271.357 0.707 0 50 CCAA COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cn[nH]c1 190718667 GOBPQSPKZFQTLM-MIMYLULJSA-N 263.297 0.823 0 50 CCAA CN(CC(=O)N1CCOC[C@@H]1C(=O)O)c1ccccc1 648450821 KPLYBAGFZGNYLJ-GFCCVEGCSA-N 278.308 0.435 0 50 CCAA C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)Cc1ccncc1 194012311 TYLWOBCBHBVPJA-QWHCGFSZSA-N 277.368 0.538 0 50 CCAA O=C(O)c1cn([C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)nn1 583324801 LKGBWCSYDOPZFL-NXEZZACHSA-N 294.311 0.176 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1CC[C@H](OC(F)F)C1 584986847 CQWNDMGVUSSTPQ-JTQLQIEISA-N 297.066 0.358 0 50 CCAA C[C@@H]1CN(C)C[C@@H](C(=O)NCCc2ccccn2)O1 585121935 GSZGZRSLNZPTFN-YPMHNXCESA-N 263.341 0.459 0 50 CCAA CCc1nccn1C[C@H](C)NCC(=O)NC1CC1 1506428918 QUGQYZIQZFPLLR-JTQLQIEISA-N 250.346 0.702 0 50 CCAA Cn1nccc1C(=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1529117904 DIGFGLHKPUOJPO-OCCSQVGLSA-N 286.335 0.491 0 50 CCAA Cn1cnc2cc(C(=O)NC[C@@H](N)C3CC3)cnc21 1857527631 XKSBECAJVKBYSC-SNVBAGLBSA-N 259.313 0.435 0 50 CCAA COc1ccc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)cn1 1704352953 HFTMVTRRBJJNLO-AAEUAGOBSA-N 291.351 0.493 0 50 CCAA Cc1nnc(COC2CN(C(=O)[C@H]3CCCOC3)C2)o1 644213078 UZQYBHUYLFPCJT-JTQLQIEISA-N 281.312 0.532 0 50 CCAA O=C(O)[C@@H]1CCCCN1C(=O)CCCn1cncn1 136472451 PKZMHQNKDPODAV-JTQLQIEISA-N 266.301 0.524 0 50 CCAA OC[C@@]12CNC[C@@H]1CN(CCc1ccc(O)cc1)C2 1772710703 NYUUBRMVMGWOCP-HIFRSBDPSA-N 262.353 0.448 0 50 CCAA COc1cc(S(=O)(=O)NCCO)c(OC)cc1Cl 11566253 AIAOXKLGUPEBIU-UHFFFAOYSA-N 295.744 0.628 0 50 CCAA CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3C2=O)O1 12957811 QSRFRZJIRAOQSJ-JZKKDOLYSA-N 258.270 0.583 0 50 CCAA in-vitro Nc1nc(CNC(=O)Cn2nc3ccccc3n2)cs1 19224354 XSIZBHRHGDRENA-UHFFFAOYSA-N 288.336 0.786 0 50 CCAA Cc1cn2nnc(C(=O)Nc3cnccc3C)c2c(=O)[nH]1 206644418 JSHXZUZYVJLUJN-UHFFFAOYSA-N 284.279 0.682 0 50 CCAA C=CS(=O)(=O)Nc1ccc(C[C@H](N)C(=O)O)cc1 203943179 ZFASEKFUMFQQSX-JTQLQIEISA-N 270.310 0.526 0 50 CCAA CN1CCCN(c2cc(N3CCCC3)ncn2)CC1=O 225490189 LXJMSWMTYHSCTF-UHFFFAOYSA-N 275.356 0.745 0 50 CCAA COc1ncnc(OC)c1C(=O)N1CCC2(CN(C)C2)C1 647622499 KQPCTOGQVIKUJX-UHFFFAOYSA-N 292.339 0.272 0 50 CCAA N[C@H]1C[C@@H](O)CN(C(=O)c2ccc3ncsc3c2)C1 1857677517 FZOGJOBRAFBNBE-VHSXEESVSA-N 277.349 0.830 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC[C@H](CC(N)=O)CC1 861634601 NSLURKDBBIEAMQ-NSHDSACASA-N 281.356 0.135 0 50 CCAA COc1ccccc1OCC(=O)N[C@@H]1CCOC[C@H]1O 223276493 SYJVTTRBYRBGQX-GHMZBOCLSA-N 281.308 0.340 0 50 CCAA CN1CCO[C@H](CNCc2cccc3c2OCCO3)C1 112838752 WEFXNVNQYCUIBT-CYBMUJFWSA-N 278.352 0.878 0 50 CCAA CCS(=O)(=O)CCN1C(=O)[C@H]2CCCCN2C1=O 118174466 NAKPFWYOLKGZBG-SECBINFHSA-N 274.342 0.238 0 50 CCAA CS(=O)(=O)N1CCN(CCc2ccccn2)CC1 32594166 IVGQCQMWILKFSU-UHFFFAOYSA-N 269.370 0.201 0 50 CCAA CCn1c(C)nnc1CN1CCCCS1(=O)=O 330221031 LHXIZNYIFVZECR-UHFFFAOYSA-N 258.347 0.532 0 50 CCAA COC[C@]1(C(=O)O)CCCN1CCC(=O)N(C)C 643878096 JLHURESBYKOAAJ-LBPRGKRZSA-N 258.318 0.030 0 50 CCAA CCNc1nc(OC)nc(Oc2ccc(O)nn2)n1 8590747 NEFIFOXSPKCXPN-UHFFFAOYSA-N 264.245 0.600 0 50 CCAA Nc1nonc1C(=O)OCC(=O)Nc1ccccc1 51434 DSLLUURRJCNHBS-UHFFFAOYSA-N 262.225 0.447 0 50 CCAA Cc1nc(O)[nH]c(=O)c1NS(=O)(=O)c1ccccc1 386309 LXEANPCGBLLUHG-UHFFFAOYSA-N 281.293 0.585 0 50 CCAA O=C(CCCn1cccn1)N1C[C@H]2COC[C@@]2(CO)C1 2356138743 GZSNXUOYKYZDPS-JSGCOSHPSA-N 279.340 0.131 0 50 CCAA CN(C)CC1(NC[C@H](O)Cn2cccn2)CCC1 242178772 XASQJLAYWIOBMM-LBPRGKRZSA-N 252.362 0.318 0 50 CCAA CN1CCN([C@H]2CC(=O)N(C3CCCCC3)C2=O)CC1 100789951 CNELLFYESJIWEO-ZDUSSCGKSA-N 279.384 0.694 0 50 CCAA C[C@H]1COCCN1CCNC(=O)c1cn2ccccc2n1 331994787 VKGFKMRCBHWAAW-LBPRGKRZSA-N 288.351 0.785 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N1CCOC[C@H]1c1ncon1 329062451 NXVUWKLNVVJAQF-JTQLQIEISA-N 289.295 0.495 0 50 CCAA COc1cccc(CS(=O)(=O)N(C)Cc2nnc[nH]2)c1 253416250 IJGPHEYICCYDAE-UHFFFAOYSA-N 296.352 0.775 0 50 CCAA CN(C)Cc1nnc(C(=O)N(C)Cc2nccn2C)o1 71756861 PDVUDFMHVUIHAO-UHFFFAOYSA-N 278.316 0.137 0 50 CCAA CC(C)NS(=O)(=O)N(C)Cc1noc(C2CC2)n1 331766762 LWWDFDKOMSDQND-UHFFFAOYSA-N 274.346 0.622 0 50 CCAA N=c1nc([C@@H]2CCCN(C(=O)C3(O)CCCC3)C2)cc[nH]1 370467712 HXEFKPLVZBUHEO-LLVKDONJSA-N 290.367 0.900 0 50 CCAA Cc1nnc2ccc(=N[C@H]3CCN(c4ccn(C)n4)C3)[nH]n12 377732001 XYYJMSLUIOFWTA-NSHDSACASA-N 298.354 0.279 0 50 CCAA Cc1c[nH]c([C@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)n1 218942074 LPGPFJKHGBSNSJ-VIFPVBQESA-N 289.339 0.838 0 50 CCAA O=C(c1c[nH]nn1)N1CCc2[nH]nc(C3CCC3)c2C1 72125313 AIWFOKIQVHMXNP-UHFFFAOYSA-N 272.312 0.994 0 50 CCAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@@]2(C)CCCO2)n1 222325968 RGQOVGPREIUXKI-CYBMUJFWSA-N 280.328 0.176 0 50 CCAA C[C@]1(C(=O)N2CCC(O)(Cn3ccnc3)CC2)CCCO1 426359562 DNOLRGOQJVBVAC-CQSZACIVSA-N 293.367 0.806 0 50 CCAA CCCn1cnnc1-c1nc2c([nH]1)CCCNC2=O 95355221 CWCUTNRTDPGANH-UHFFFAOYSA-N 260.301 0.754 0 50 CCAA CC(C)(C)OC(=O)NCC1(CC(=O)O)CS(=O)(=O)C1 96024423 DHQZMTRFTCGQMQ-UHFFFAOYSA-N 293.341 0.401 0 50 CCAA O=C(N1C[C@@H](O)CO1)C1(c2ccc(F)cc2)CC1 91649930 BAOFGYWOWLTZFT-LLVKDONJSA-N 251.257 0.992 0 50 CCAA CC[C@@H](NC(=O)[C@H](N)c1ccc(C)cc1)C(=O)O 230816840 SJTZKFOOTLJUPB-GHMZBOCLSA-N 250.298 0.974 0 50 CCAA CCCS(=O)(=O)N1C[C@@H](C(=O)O)[C@H](c2cccnc2)C1 91997198 WOMPUZXRWCVPBM-NWDGAFQWSA-N 298.364 0.921 0 50 CCAA CC(C)[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]1C(=O)O 91518771 HDPQVIRUNPXWCP-VHSXEESVSA-N 261.343 0.767 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25CCC[C@]12[C@H]3[C@H]45 248045444 PMEPXPVQINDYQV-KCXTUAMOSA-N 257.293 0.120 0 50 CCAA O=C(CN1CCCCCCC1)NC[C@@]1(O)CCCNC1 534648696 QDIJFENZAMFDPM-OAHLLOKOSA-N 283.416 0.483 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)CN(C)Cc1ccccn1 534646031 XIIMSWQHVHMTPM-STQMWFEESA-N 279.340 0.043 0 50 CCAA CC(C)N1CC[C@H](CN(C)C(=O)c2cnn[nH]2)C1 299787513 OMHKXWJZEBZRQW-SNVBAGLBSA-N 251.334 0.607 0 50 CCAA O=C1NC2(CC2)C(=O)N[C@@H]1Cc1c[nH]c2ccccc12 670438305 CDOGAOMZPRQEFP-GFCCVEGCSA-N 269.304 0.858 0 50 CCAA C1CN(C2CNC2)C[C@H](c2nc(C3CC3)no2)O1 685944697 QONBRCXPXNJFMT-SNVBAGLBSA-N 250.302 0.292 0 50 CCAA COC(=O)/C=C/CNC(=O)CCc1c(C)nn(C)c1C 1875311584 FWSCVVXHDARCNY-AATRIKPKSA-N 279.340 0.815 0 50 CCAA O=C(N[C@]1(C(=O)O)C[C@H](O)C1)c1cnc(C2CC2)s1 1875394186 XRRBQUHTZQQOEL-OGXFKERWSA-N 282.321 0.728 0 50 CCAA CCc1nc(-c2c3n(c(=O)[nH]c2=O)CCCC3)no1 169764029 VCVOECLTFPIMCC-UHFFFAOYSA-N 262.269 0.485 0 50 CCAA Cc1cnn(CCC(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c1 887020051 KIFXUQXVGPIGCY-CHWSQXEVSA-N 293.367 0.628 0 50 CCAA O=C(Nc1nc2n(n1)CCCC2)c1cn2cccnc2n1 1335950668 YVKDTCPEVJWODM-UHFFFAOYSA-N 283.295 0.909 0 50 CCAA CN(C)CC(=O)N1CCN(c2cccc3nc[nH]c23)CC1 1775987379 MVJPHYAHBLDNDB-UHFFFAOYSA-N 287.367 0.773 0 50 CCAA O=C1NCCN1CCNS(=O)(=O)c1ccsc1 1185341210 HQABWZJEOXKKDS-UHFFFAOYSA-N 275.355 0.052 0 50 CCAA OC[C@@H](O)CSc1ncc(Br)cn1 86659954 SCDJDKRGRDBQDK-ZCFIWIBFSA-N 265.132 0.684 0 50 CCAA COc1nc(C)ccc1C(=O)N1CCN2C(=O)NC[C@@H]2C1 408126115 JNPWGADVYNXZAL-SNVBAGLBSA-N 290.323 0.248 0 50 CCAA CC(C)c1noc(CN2CCCNC(=O)[C@@H]2C)n1 189281202 KMMREMRXLWFPHX-VIFPVBQESA-N 252.318 0.903 0 50 CCAA CN(C)C[C@@]1(O)CCCN(C[C@@H]2CCc3ncnn32)C1 639761981 IYIAZCMKBUEVMT-JSGCOSHPSA-N 279.388 0.154 0 50 CCAA Cn1ccc(C(=O)NS(=O)(=O)C[C@@H]2CCCCO2)c1 408477857 HETQWOQCBBDJSR-NSHDSACASA-N 286.353 0.654 0 50 CCAA O=C(NS(=O)(=O)C1CCC1)[C@H]1C[C@@]12CCOC2 408485058 NSVSIOMLJVVOEA-MWLCHTKSSA-N 259.327 0.412 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1C(=O)Cc1cccc(F)c1 643945408 FHQILUQZTSKCIF-OAHLLOKOSA-N 294.326 0.861 0 50 CCAA O=C(O)Cn1ccc(NC(=O)C[C@H]2CCCCO2)n1 192879322 CLCZJDNQOJRPMG-SECBINFHSA-N 267.285 0.865 0 50 CCAA CC(C)N1C[C@@H](CN(C)CCN2CCOCC2)CCC1=O 1857694015 WWJFLFQJJJOAMT-OAHLLOKOSA-N 297.443 0.897 0 50 CCAA CCn1ccc(C(=O)N(CCO)Cc2ncc[nH]2)cc1=O 1704333678 CWTVZINCNBNYJN-UHFFFAOYSA-N 290.323 0.226 0 50 CCAA C[C@@H]1CN(c2cncc(C(N)=O)n2)CC(C)(C)O1 301443722 OJCMDVZGYQCEFS-MRVPVSSYSA-N 250.302 0.579 0 50 CCAA CCOCC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 348010926 RKSLKUHGXOKTLH-STQMWFEESA-N 270.373 0.735 0 50 CCAA CS(=O)(=O)c1ccc(CN[C@]23CCC[C@H]2CNC3)o1 1615059220 XXKVQLJLFYYLCI-GWCFXTLKSA-N 284.381 0.915 0 50 CCAA CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCOCC1 12381972 JBZRXPSOWXAPME-LBPRGKRZSA-N 280.324 0.893 0 50 CCAA Cn1nc(NC(=O)Cn2cncn2)cc1C(F)(F)F 1646650352 WGGMZNCVIZSDHV-UHFFFAOYSA-N 274.206 0.669 0 50 CCAA COCCC[C@@]1(CO)CN(C(=O)c2cc[nH]c2)CC[C@H]1O 1857736354 QDHIKFZHNCYXMB-HIFRSBDPSA-N 296.367 0.627 0 50 CCAA C[C@H]1C(=O)CC[C@@H]1CC(=O)N(C)CCS(C)(=O)=O 225419698 IPUFCLGOWWNPKD-NXEZZACHSA-N 275.370 0.495 0 50 CCAA COC(=O)[C@H]1CNCCN1C(=O)OCc1ccccc1 22015351 HOLPEQRNMJTIIX-GFCCVEGCSA-N 278.308 0.770 0 50 CCAA in-vitro C[C@@]1(O)CCOC2(CCN(C(=O)c3ccoc3)CC2)[C@H]1O 1704337364 RIIDCDOJCCSQFF-UONOGXRCSA-N 295.335 0.787 0 50 CCAA C[C@@H]1c2cccn2CCN1C(=O)CC[C@H]1NC(=O)NC1=O 1248600902 PQYPLFAGTYDJMS-NXEZZACHSA-N 290.323 0.380 0 50 CCAA C=CC(=O)N1CCC2(CCOCC2)[C@H](C(=O)O)C1 1857787041 YZICVKLALULJJW-JTQLQIEISA-N 253.298 0.902 0 50 CCAA O=C1OCC[C@@H]1N1CCC[C@@H](Cn2cncn2)C1 229476606 XQPINGCYYISWOQ-MNOVXSKESA-N 250.302 0.306 0 50 CCAA CN(CCN1CCOCC1)[C@H]1Cc2ccccc2[C@H]1O 252511640 IZLMUVQGPNKVDN-JKSUJKDBSA-N 276.380 0.909 0 50 CCAA C[C@@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)O 261584023 PJFQWEDXGCBWOM-RXMQYKEDSA-N 264.690 0.486 0 50 CCAA C[C@@H](CS(C)(=O)=O)N1CCC2(CCNCC2)C1 426388098 ALYINELCFRBTHS-NSHDSACASA-N 260.403 0.495 0 50 CCAA O=C(NCCCc1nn[nH]n1)[C@H]1Cc2ccccc2S1 426683784 JCCAMYZVPKCLCV-LLVKDONJSA-N 289.364 0.966 0 50 CCAA CCOC(=O)N1CCN(C(=O)[C@H]2CCCNCC2)CC1 534577746 RTZQBDLGBBVEGC-LBPRGKRZSA-N 283.372 0.677 0 50 CCAA O=C(Cn1nnc2c1CCCC2)NOCc1cccnc1 847599414 CDRQXKNJTWLOPP-UHFFFAOYSA-N 287.323 0.800 0 50 CCAA CN(CCCCC(=O)O)C(=O)[C@@H]1COC(=O)N1C 2325789886 UGDKKZHLKHJTDU-QMMMGPOBSA-N 258.274 0.150 0 50 CCAA Cc1c(C(N)=O)cccc1C(=O)N(C)[C@@H](C)C(=O)O 2325829879 VCWDZVALXLGRFV-QMMMGPOBSA-N 264.281 0.639 0 50 CCAA CC(C)(C)OC(=O)N1CC(=O)N2CCCCNC[C@@H]2C1 2325712067 CGGFPXITYJFFOZ-LLVKDONJSA-N 283.372 0.818 0 50 CCAA COCCNS(=O)(=O)c1cc(F)ccc1OC 1797289 RLBNHXNBYKUEQY-UHFFFAOYSA-N 263.290 0.759 0 50 CCAA CCc1nccn1CCC(=O)N1C[C@H]2COC[C@@]2(CO)C1 2356162963 NEWMTKAIGORVBY-WFASDCNBSA-N 293.367 0.303 0 50 CCAA CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](CCO)O2 3883295 NEFOQLNXMTWVSO-LLVKDONJSA-N 285.321 0.562 0 50 CCAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1N 3885490 YIEVSJJAWVBFTE-UHFFFAOYSA-N 272.326 0.298 0 50 CCAA COc1ccc(C)cc1NC(=O)CN1C(=O)CN(C)C1=O 6742709 GWQYUXJLXHUIGD-UHFFFAOYSA-N 291.307 0.836 0 50 CCAA CN(C)S(=O)(=O)CCN1CCC[C@H]1CCCO 310306673 PBSYPQBNVQDBHM-NSHDSACASA-N 264.391 0.115 0 50 CCAA Cc1noc(CN(C)C(=O)CCN2CCCCO2)n1 67935218 VXTGIYBNAPJKET-UHFFFAOYSA-N 268.317 0.754 0 50 CCAA CC(C)CN1C[C@@H](C(=O)N(C)CCc2cn[nH]c2)CC1=O 67805662 HXLTYTWDXMMECT-ZDUSSCGKSA-N 292.383 0.915 0 50 CCAA CC(C)SCCN1CCCC[C@@H]1CNS(N)(=O)=O 328597624 IEWKSRRMKPSPRM-LLVKDONJSA-N 295.474 0.776 0 50 CCAA O=C(c1ccc2nncn2c1)N1CCOC[C@]12CCOC2 333029861 BYEHROBGWOMCDX-CQSZACIVSA-N 288.307 0.361 0 50 CCAA CO[C@]1(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)CCOC1 329848047 NDVBBTUWHFJVMH-MYZSUADSSA-N 299.367 0.587 0 50 CCAA CC[C@H](C)[C@H](NC(=O)c1cc[n+]([O-])cc1)C(=O)O 253407617 GFCBEAUMTISMOX-WPRPVWTQSA-N 252.270 0.549 0 50 CCAA CCCn1cnnc1CN(C)Cc1cc2n(n1)CCNC2 72172720 COAQUHXDEVRFGU-UHFFFAOYSA-N 289.387 0.620 0 50 CCAA COC(=O)Cc1cc(O)c(C(=O)O)c(O)c1C(=O)OC 32267116 CFQLTPLPHPDMDW-UHFFFAOYSA-N 284.220 0.298 0 50 CCAA COc1cccc(O[C@H](C)CNC(=O)[C@@H]2C[C@@H](O)CN2)c1 237294871 PVFBZBOGHWEJIF-GYSYKLTISA-N 294.351 0.302 0 50 CCAA Cc1ccn2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)nc2c1 331784402 QNDOBYLLQFDVBL-SNVBAGLBSA-N 293.348 0.560 0 50 CCAA Cc1ccccc1OCC(=O)N1CCC[C@@](O)(CO)C1 72145162 BWPHJRDPSNYKOF-HNNXBMFYSA-N 279.336 0.720 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2cncc(OCC(C)C)n2)C1 284528340 MHABFDOWWSNICS-QWRGUYRKSA-N 294.355 0.590 0 50 CCAA CC(=O)N1CSC[C@H]1C(=O)N1C[C@H](C)N[C@H](C)C1 154226207 OHMNGQXFDHOEOH-NGZCFLSTSA-N 271.386 0.117 0 50 CCAA O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1C[C@H]2CC[C@H]1CN2 333808779 IWVKCFJWDVJFIH-IYKVGLELSA-N 251.330 0.452 0 50 CCAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)C3CC3)C2)n1C 72439391 VWEBEKZHHGNBRQ-GFCCVEGCSA-N 291.399 0.993 0 50 CCAA Cn1nnc(CNC(=O)N2CCCC[C@H]2c2cc[nH]n2)n1 376993974 NWQDBRWLLUGCNB-JTQLQIEISA-N 290.331 0.370 0 50 CCAA Oc1n[nH]c(CN[C@H]2CCc3ccccc3OC2)n1 338316208 JZLRWAIGRFBVDM-JTQLQIEISA-N 260.297 0.994 0 50 CCAA CN1C[C@@H](NC(=O)Cc2ccc(O)c(F)c2)C[C@H]1C(=O)O 217864911 RHRORJBPSLAYTQ-ONGXEEELSA-N 296.298 0.347 0 50 CCAA Cc1nc2ncnn2c2ccn(-c3cc[nH]n3)c(=O)c12 72117356 INAPTPDXPBNLGK-UHFFFAOYSA-N 267.252 0.460 0 50 CCAA O=C(O)c1cnc(N2CC[C@@H](CCCO)C2)cn1 263425920 REGYVOIIDNXSFO-SECBINFHSA-N 251.286 0.774 0 50 CCAA CN(Cc1nc(=O)[nH][nH]1)C[C@@H]1CCCN2CCCC[C@H]12 198216427 LACIDZFURNWCIP-NWDGAFQWSA-N 279.388 0.794 0 50 CCAA Cc1nnc(N2CCC3(CC2)OCCC[C@@H]3O)o1 95358664 GUHPBTSYEKMMNK-JTQLQIEISA-N 253.302 0.888 0 50 CCAA CCNC(=O)C[C@@H]1C(=O)N=C2Nc3ccccc3N21 95117648 VWSGQJLZHSJWKR-SNVBAGLBSA-N 258.281 0.710 0 50 CCAA COC(=O)c1ccc(NC(=O)N2CCC[C@H]2C(N)=O)cc1 95521819 JBHYTJBTPWREOK-NSHDSACASA-N 291.307 0.955 0 50 CCAA O=C(CC[C@H]1NC(=O)NC1=O)NCC1=CCCCC1 91441775 FWWFJVTURYQAHX-SNVBAGLBSA-N 265.313 0.591 0 50 CCAA Cc1nn(C)cc1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 237776848 CBBYVOPVCLOPID-NSHDSACASA-N 295.339 0.824 0 50 CCAA Cc1cc(S(=O)(=O)NCCn2cncn2)c(C)s1 343020946 JHPMTCXAUBQAFG-UHFFFAOYSA-N 286.382 0.935 0 50 CCAA O=C(NCc1cc2ccccc2o1)[C@@H]1C[C@H](O)CN1 299747631 DLVROJOSCOTRAK-JQWIXIFHSA-N 260.293 0.772 0 50 CCAA O=C(O)[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1 299744233 OBJVXLIIUTYBJV-GFCCVEGCSA-N 293.275 0.270 0 50 CCAA Cn1c(CN)nnc1Sc1ccnc(CO)c1 534632454 DDYBKBUBOXCZPQ-UHFFFAOYSA-N 251.315 0.312 0 50 CCAA O=C(CCN1CCCCC1)N[C@H]1COC[C@@H]1N1CCCC1 534639470 OJLBODRRTRGUFK-GJZGRUSLSA-N 295.427 0.842 0 50 CCAA CC(=O)N[C@@H]1CC[C@H](C(=O)N2CCC(C)CC2)C[C@H]1O 1940193563 XIVUDOXITBGXKX-BFHYXJOUSA-N 282.384 0.911 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCn1nccc1C 299763697 PJLYYHOPHDWCPZ-KBPBESRZSA-N 294.399 0.805 0 50 CCAA C[C@@H](CO)N1CCN(c2ccnc3ccnn23)CC1 1875303280 KODFRLYHVRUQTK-NSHDSACASA-N 261.329 0.232 0 50 CCAA COc1ccc(C[C@@H]2NC(=O)[C@H](C3CC3)NC2=O)cc1 824673645 OTYAXKZUAXZUDK-STQMWFEESA-N 274.320 0.631 0 50 CCAA O=C(O)CN1CCCO[C@@H](CN2CCCCC2)C1 670469179 IYJZEEXTSGNFHH-LBPRGKRZSA-N 256.346 0.648 0 50 CCAA O=C(N[C@H]1CCOC1=O)c1cc(O)nc(C2CC2)n1 1557150572 HOHONEYKHWJUFS-ZETCQYMHSA-N 263.253 0.105 0 50 CCAA O=C(CN1Cc2n[nH]cc2[C@H]1CO)N1CCc2ccccc21 1875275216 BNUVYTTYQOZTAW-OAHLLOKOSA-N 298.346 0.848 0 50 CCAA COCCCNS(=O)(=O)c1cc(N2CCCC2)ccn1 1875298922 RZQVXVKXTNJTQK-UHFFFAOYSA-N 299.396 0.997 0 50 CCAA NC(=O)C1(NC(=O)Cc2ccc(F)cc2F)CCNCC1 1875281534 GLSPNNKZHQFQRL-UHFFFAOYSA-N 297.305 0.231 0 50 CCAA CN(C)C(=O)C[C@@H]1CN(c2ccn3nccc3n2)C[C@H]1O 1875398177 FPGBJKDIFLGWQQ-GHMZBOCLSA-N 289.339 0.005 0 50 CCAA Cc1noc(C[C@@]2(O)CCCN(CCn3ccnc3)C2)n1 886079613 GQZZDYDKKFBQPT-AWEZNQCLSA-N 291.355 0.644 0 50 CCAA Cc1nnc2ccc(C(=O)N3CC[C@]4(CNC(=O)C4)C3)cn12 1772983271 JSFGMKKHRAHZFP-HNNXBMFYSA-N 299.334 0.390 0 50 CCAA CCc1ncnc(N2CC[C@H](Cc3nn[nH]n3)C2)c1F 1775987813 PHQNCBAAWZDHKQ-MRVPVSSYSA-N 277.307 0.760 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)NCc1ncc[nH]1 1775961125 AIUSIUJFIONZES-OAHLLOKOSA-N 286.335 0.835 0 50 CCAA CC(C)(C)OC(=O)N1CCN2C(=S)NC[C@@H]2C1 74942556 LFCBBXBPGMVCDV-MRVPVSSYSA-N 257.359 0.796 0 50 CCAA in-vitro CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cncnc2)cn1 275401815 SALPATSOZUMTJB-QWHCGFSZSA-N 287.323 0.953 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cnc[nH]1 276079766 WXLJCSCOZILGAH-SNVBAGLBSA-N 250.302 0.396 0 50 CCAA C=CC(=O)NCCNC(=O)C1Cc2ccccc2C1 277275910 PNAOSCBNIIIUQO-UHFFFAOYSA-N 258.321 0.820 0 50 CCAA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1nccn1C 584906988 VEBARHBXTQBWKQ-QMMMGPOBSA-N 298.368 0.934 0 50 CCAA COC[C@@H]1[C@H](NC(=O)c2nc(C)c[nH]2)[C@H]2CCO[C@@H]12 1074620621 RZZGSZYZBQCRFS-GWOFURMSSA-N 265.313 0.498 0 50 CCAA NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1c1ncnc2n[nH]cc12 682473713 HNUZVGVBNGWLEN-WEDXCCLWSA-N 272.312 0.443 0 50 CCAA O=C(CC[C@@H]1CCCO1)NS(=O)(=O)[C@H]1CCOC1 408389729 NNDRLDWGJOMTKD-UWVGGRQHSA-N 277.342 0.181 0 50 CCAA CC(C)[C@@](C)(O)C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 408300660 ZICRDOKOHQQWLR-YUTCNCBUSA-N 271.357 0.800 0 50 CCAA CC(C)[C@@](C)(O)C(=O)N1CCO[C@]2(CCO[C@H]2C)C1 408300658 ZICRDOKOHQQWLR-IACUBPJLSA-N 271.357 0.800 0 50 CCAA C[C@H]1CCCN(c2cc(NC[C@@H](O)CO)ncn2)C1 221913869 HNJAKRQMXDAYSU-WDEREUQCSA-N 266.345 0.478 0 50 CCAA C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCn2ccnc2C1 225347789 HOPCINRXSASOKR-UPJWGTAASA-N 292.383 0.723 0 50 CCAA CC(C)(C)CS(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)O)C1 579978736 BMHNRHLINKHORA-VHSXEESVSA-N 293.385 0.520 0 50 CCAA C[C@@H](OC(=O)c1coc(C(N)=O)c1)C(=O)C1CC1 798650979 VCUHVKXNTSLDOI-ZCFIWIBFSA-N 251.238 0.903 0 50 CCAA Cc1[nH]nc(CCC(=O)N(CCO)Cc2ncc[nH]2)c1C 1704339407 FCORWKBRQZVAOD-UHFFFAOYSA-N 291.355 0.703 0 50 CCAA CCC1(C(=O)N2CCO[C@H](C(=O)NC)C2)CCOCC1 373303619 NINVVCFYSFRHNY-NSHDSACASA-N 284.356 0.167 0 50 CCAA CC(=O)NCC(=O)N1CCO[C@@H](CCc2ccccc2)C1 14953768 BVHRTZPWKGMNKU-HNNXBMFYSA-N 290.363 0.983 0 50 CCAA O=C(CN1CCOCC1)NC(=O)Nc1ccccc1 19841822 BPFRNBATDRLONQ-UHFFFAOYSA-N 263.297 0.667 0 50 CCAA COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@]12O 169300954 IPJBYSCSCXDDEE-LAEOZQHASA-N 274.342 0.205 0 50 CCAA CN(Cc1ncc[nH]1)C(=O)[C@H]1CCc2nnn(C)c2C1 1649810452 MZIXCOPIGYDTLD-VIFPVBQESA-N 274.328 0.302 0 50 CCAA COc1ccc2[nH]nc(CN3C[C@@H]4CC(=O)N[C@@H]4C3)c2c1 1857677901 DOCQSFHYWJMICP-TVQRCGJNSA-N 286.335 0.892 0 50 CCAA O=C1NCCC[C@]12CN(CCCn1ccnc1)CC[C@H]2O 1857685043 ARQRKSYTCXEBLK-UKRRQHHQSA-N 292.383 0.236 0 50 CCAA C[C@@H]1CN2C[C@H](NC(=O)c3ccncc3F)C[C@H]2CO1 1857730573 WNYKSCHJOBNGGJ-MXWKQRLJSA-N 279.315 0.812 0 50 CCAA CC1CCN(CCN2CCO[C@H](c3nncn3C)C2)CC1 328655838 YUIWMJCFIOTPFC-AWEZNQCLSA-N 293.415 0.920 0 50 CCAA O=C(N[C@@H]1CCNC[C@H]1O)c1ccc(F)c(Cl)c1 77472594 ZJSXHPGALAILAW-GHMZBOCLSA-N 272.707 0.932 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)COC(C)C 643849924 HZNZDWVHZVHVEF-LBPRGKRZSA-N 259.302 0.504 0 50 CCAA Nc1ncc(C(=O)NCCN2CCCCC2=O)s1 584896994 RZSAOBUICRVHRC-UHFFFAOYSA-N 268.342 0.468 0 50 CCAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2nc(=O)n(C)[nH]2)c1 2100483615 ASUMGAMIPAFOJM-JTQLQIEISA-N 289.339 0.515 0 50 CCAA O=C(N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc(F)c(F)c1 2100540235 FHLDHUSQHUGHEP-IRCOFANPSA-N 285.246 0.222 0 50 CCAA Cc1nc[nH]c1S(=O)(=O)Nc1cc(O)ccc1C(=O)O 2325874283 GVQHTIYSUFNSOR-UHFFFAOYSA-N 297.292 0.923 0 50 CCAA CS(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 262169 ZSFULZINXRAXAO-UHFFFAOYSA-N 274.386 0.717 0 50 CCAA CC1=CC2(CCN(C(=O)CCn3cnnn3)CC2)OCC1 2356154021 FESBAZYUEOLKAO-UHFFFAOYSA-N 291.355 0.791 0 50 CCAA CCCCN1C(=O)N[C@@](NC(C)=O)(C(F)(F)F)C1=O 4196026 WDVXIQFXIXGDMU-SECBINFHSA-N 281.234 0.733 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)CCN1CCCCO1 55307567 UCPHDTAMVGIQEN-LLVKDONJSA-N 286.328 0.106 0 50 CCAA COc1ccccc1CNC(=O)CCN1CCN(C)CC1 65371380 RDCKZVRJDIOIOR-UHFFFAOYSA-N 291.395 0.949 0 50 CCAA C[C@@H]1CCN([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 229336950 UAWZECVLZMKRQJ-UTUOFQBUSA-N 288.413 0.362 0 50 CCAA Cc1n[nH]c(SCCNC(=O)[C@H]2CCCO2)n1 67676377 XSPLSXWHQUPPQV-MRVPVSSYSA-N 256.331 0.500 0 50 CCAA Nc1nccnc1C(=O)Nc1cccc(-c2nc(O)n[nH]2)c1 355999643 MXPICGATAQCUDE-UHFFFAOYSA-N 297.278 0.802 0 50 CCAA N[C@@H](C(=O)Nc1ccn([C@@H]2CCNC2)n1)c1ccccc1 328626375 LQKZVEPVFIKEHQ-TZMCWYRMSA-N 285.351 1.056 0 50 CCAA COCCNC(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 219947270 IGJABIGCSZXOQC-VXGBXAGGSA-N 295.339 0.564 0 50 CCAA COc1cccc([C@@H](C)C(=O)N[C@@H]2CNC(=O)C2)c1 330895976 SIXAMKZOIGKLFL-KOLCDFICSA-N 262.309 0.803 0 50 CCAA Cc1nonc1OCCNC(=O)c1cnn(C(C)C)c1 77387658 ZMQACDDXFSKXDD-UHFFFAOYSA-N 279.300 0.964 0 50 CCAA CCCn1ccnc1CN1CCC[C@](O)(CO)C1 72411354 PHOSHDSVLWEVJV-CYBMUJFWSA-N 253.346 0.612 0 50 CCAA COc1ccnc(CNC(=O)c2cc(CO)ccn2)c1 215709912 HMCCKABVZNBQDN-UHFFFAOYSA-N 273.292 0.908 0 50 CCAA CC(C)[C@@](C)(CC(=O)O)NC(=O)c1nccnc1N 262797209 AEJUCMNFKOAPSK-GFCCVEGCSA-N 266.301 0.678 0 50 CCAA CCc1onc(C)c1C(=O)N1CCN([C@H]2CCNC2)CC1 377572771 TVTUHBZAMUPGHO-LBPRGKRZSA-N 292.383 0.665 0 50 CCAA CNc1snc(C)c1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 176768916 NVDCDGBIDIBSLG-MRVPVSSYSA-N 294.380 0.986 0 50 CCAA CCS(=O)(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 220106174 COGBMAYPSGBUKC-GHMZBOCLSA-N 286.353 0.557 0 50 CCAA Cc1ccc(S(=O)(=O)NCCc2nc(=O)o[nH]2)s1 290087296 HKLWTIUWOGYULR-UHFFFAOYSA-N 289.338 0.254 0 50 CCAA Cc1nc2ccccc2n1CC(=O)N[C@@H](C)C(=O)O 178228447 ORRHVVSIPMZTDJ-QMMMGPOBSA-N 261.281 0.934 0 50 CCAA CCN(Cc1noc(C)n1)C(=O)CN1CCC[C@@H](O)C1 220353366 SEUINSWIZGXVPH-LLVKDONJSA-N 282.344 0.183 0 50 CCAA C[C@@H]1CCCN(CCNC(=O)c2cn(C)cn2)C1 178202831 SJEKEJCYLYUQEB-LLVKDONJSA-N 250.346 0.882 0 50 CCAA Cn1cccc1C(=O)N1CCC[C@@]2(CNC(=O)O2)C1 221322965 AREYPFIYAFIMNP-CYBMUJFWSA-N 263.297 0.740 0 50 CCAA COc1cccnc1CSc1nnc(CN)n1C 426436374 BBMRLIUXDRBUJT-UHFFFAOYSA-N 265.342 0.970 0 50 CCAA CCNC(=O)CCN1CCC2(CCN(C)CC2)[C@@H](CO)C1 97694740 DAHANNMYVARVQB-CQSZACIVSA-N 297.443 0.539 0 50 CCAA C[C@H](c1ccon1)N(C)C(=O)CN1CCOC1=O 95517607 VGLKXGZHXSYDBH-MRVPVSSYSA-N 253.258 0.646 0 50 CCAA C[C@@H](COCC(F)(F)F)NC(=O)[C@@H]1CCNC1 239882236 DAQJUKJHJRXUJL-JGVFFNPUSA-N 254.252 0.680 0 50 CCAA CCn1cc(S(=O)(=O)N2CC[C@](C)(O)[C@H](C)C2)cn1 91468234 UHXYKXNHSHDSOP-PWSUYJOCSA-N 287.385 0.685 0 50 CCAA CC(=O)NC(C)(C)C(=O)NCc1nc(C(F)(F)F)n[nH]1 426534525 WCVYQNHCMHUZSF-UHFFFAOYSA-N 293.249 0.354 0 50 CCAA CC(C)c1nccn1[C@H](C)C(=O)NCCN1CCNC1=O 95372855 BJWRNSDELWGIIH-LLVKDONJSA-N 293.371 0.709 0 50 CCAA O=C(N[C@@H]1CCCNC1)c1cc(C(F)(F)F)[nH]n1 97785612 BVJZQACNLBWWQH-ZCFIWIBFSA-N 262.235 0.910 0 50 CCAA CC[C@H](NC(=O)OC)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 244652015 GYFZSFVIPDAGCG-FBDQPXRJSA-N 278.308 0.886 0 50 CCAA Cc1cc(=O)n(CCN(C)[C@@H](C)c2ccncn2)c(O)n1 253537313 LWKXKDBNRUQROI-NSHDSACASA-N 289.339 0.740 0 50 CCAA CCn1ncc(CNS(=O)(=O)N2CCCC2)c1C 534575242 SHENPCLYDBWMPR-UHFFFAOYSA-N 272.374 0.642 0 50 CCAA CN=c1[nH]c(=NCC[C@H]2CCCN(C)C2)[nH]cc1F 534583454 WULYZQAYEFYUEI-SNVBAGLBSA-N 267.352 0.645 0 50 CCAA CC(C)(CN1CCOCC1)NC(=O)C[C@@H]1CCOC1 622124178 BHBOSNYLDGJGCH-LBPRGKRZSA-N 270.373 0.640 0 50 CCAA Cc1cnccc1C(=O)N1CCN2CCN(C)C[C@@H]2C1 299803099 WPAXFTHMUSVLTK-CYBMUJFWSA-N 274.368 0.462 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(c3cc([C@H]4CCOC4)ncn3)C[C@H]21 299791670 HJDMRRUDAPDPKZ-QISWUMQESA-N 275.308 0.747 0 50 CCAA O[C@H]1CN(CCC(F)(F)F)C[C@@H]1N1CCOCC1 828896800 SHLUQTDMZIIARN-UWVGGRQHSA-N 268.279 0.316 0 50 CCAA C[C@@]1(C(=O)NCc2cnc3cnccn23)CCCNC1 584903244 XNRBMJXXXBVHAB-CQSZACIVSA-N 273.340 0.735 0 50 CCAA CCOc1ccc(C(=O)NN2C[C@H](C(=O)O)CC2=O)cc1 585122815 VWJMGKCDLLZDRT-SNVBAGLBSA-N 292.291 0.663 0 50 CCAA Cc1ncc(C(=O)NS(C)(=O)=O)n1-c1ccccc1 1875390674 CLCSHMSWEPEURM-UHFFFAOYSA-N 279.321 0.870 0 50 CCAA O=C(O)c1cc(CCNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[nH]n1 1875307969 XVPYUHZUJKBAFJ-BRPSZJMVSA-N 263.297 0.813 0 50 CCAA CO[C@@H]1C[C@@H]2C[C@@H](C(=O)NCCc3nc(O)n[nH]3)C[C@@H]21 1875280473 MLPIQVJVIRUANS-QCLAVDOMSA-N 280.328 0.230 0 50 CCAA COc1c(F)cccc1NCC(=O)N1CCNC1=O 1875282348 ZGMFKUMIWRJYDD-UHFFFAOYSA-N 267.260 0.798 0 50 CCAA Cc1ncc(C(=O)N2CC[C@](CF)(C(=O)O)C2)c(C)n1 1875292074 VVFFIRGXRHPNRS-CYBMUJFWSA-N 281.287 0.980 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1c(O)nnc(C)c1C 1331575150 SEWJZRMWMFJGBP-UHFFFAOYSA-N 278.312 0.060 0 50 CCAA CCNC(=O)CNC(=O)c1ccc2nc(N(C)C)[nH]c2c1 1775998676 GNWQQLBUTQHUTQ-UHFFFAOYSA-N 289.339 0.495 0 50 CCAA CCc1nc(N2CC[C@@H](CO)[C@@H](O)C2)ncc1C 1565525886 FWTQXZLTWUMOPN-JQWIXIFHSA-N 251.330 0.527 0 50 CCAA CC(C)CO[C@H]1CCN(C(=O)c2cnnn2C)C1 281688633 YUDZPLIFGUWVLH-JTQLQIEISA-N 252.318 0.702 0 50 CCAA COC[C@H]1[C@H](NC(=O)Cc2ccccn2)[C@H]2CCO[C@H]21 1074591930 YDCVFSWWDUOFIQ-AYRXBEOTSA-N 276.336 0.790 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1nnn(C)n1 408355277 RDVDIXBLLNEVAO-DTWKUNHWSA-N 253.306 0.032 0 50 CCAA CC[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)C)N1CCCC1=O 408467517 LFTSCFFRDBEXMA-NEPJUHHUSA-N 295.383 0.467 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)Cc2ccco2)C1 644003506 KWKKLVPNECAJJB-ZDUSSCGKSA-N 266.297 0.051 0 50 CCAA COC[C@@H](OC)C(=O)N1CCCC[C@H]1CC(=O)O 659144430 HAUHUANNNWMHSZ-VHSXEESVSA-N 259.302 0.504 0 50 CCAA CN1CCC[C@@H](NC(=O)CCn2cccn2)C1=O 331092109 ITUDRUYNELHRKC-SNVBAGLBSA-N 250.302 0.010 0 50 CCAA CCO[C@H]1COC[C@@H]1Nc1ncccc1C(=O)NC 1704336939 NCQSKWOVRKRZOG-QWRGUYRKSA-N 265.313 0.657 0 50 CCAA COCC(=O)NC[C@@]12CNC[C@@]1(C(F)(F)F)C2 1615545794 IZJQAYYNFPVJLR-BDAKNGLRSA-N 252.236 0.291 0 50 CCAA CN1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2C 14740718 BRBBRZOCLMKQNF-UHFFFAOYSA-N 288.351 0.940 0 50 CCAA CC[C@@H](C)Nc1nc(SCC(N)=O)nc(N(C)C)n1 16624209 YPRHADOKMVGEGN-SSDOTTSWSA-N 284.389 0.725 0 50 CCAA Cc1noc([C@H]2CN(C(=O)c3cccn3C)CCN2C)n1 408035369 LNYPAIYDGHPCHP-GFCCVEGCSA-N 289.339 0.845 0 50 CCAA CC1(C)OC[C@@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O)O1 2564007 KEJGAYKWRDILTF-SQXHDICFSA-N 260.286 0.375 0 50 CCAA in-vitro CCNC(=O)C1(NC(=O)[C@H]2CCOC2)CCCC1 252482041 CXCAPGAVIQZDIO-JTQLQIEISA-N 254.330 0.588 0 50 CCAA O=C(C[C@H]1CCCCNC1=O)Nc1cnccc1CO 374257326 MAJPSLNQSXVHAG-SNVBAGLBSA-N 277.324 0.819 0 50 CCAA Cn1ccnc(N2CCN(Cc3cccnc3)CC2)c1=O 266143348 RDIYJIYITCNHFO-UHFFFAOYSA-N 285.351 0.498 0 50 CCAA CCN(C)c1ccnc(N2C[C@H]3COC[C@@H](C2)CN3C)n1 1704304827 OKBVJSMRBCEXSW-OLZOCXBDSA-N 291.399 0.700 0 50 CCAA O=C(NCc1cccnc1-n1ccnc1)N[C@H]1CCNC1 851655669 ZLWURNGRRBZBIA-LBPRGKRZSA-N 286.339 0.428 0 50 CCAA CCC1(CNC(=O)c2cn3cccnc3n2)COC1 1120743547 USYBNXVHPMLEKY-UHFFFAOYSA-N 260.297 0.886 0 50 CCAA COC(=O)c1cncnc1N1CCC(C2OCCO2)CC1 225819072 TZHLKOGBVUHFOR-UHFFFAOYSA-N 293.323 0.853 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(Cc1nccn1C)C1CC1 113260680 UMWDDWPPPDNHFJ-JTQLQIEISA-N 271.386 0.818 0 50 CCAA Cc1noc(CCC(=O)N2C[C@H](C)N[C@@H](C)C2)n1 153486311 BEFNLYVPWIUYAX-IUCAKERBSA-N 252.318 0.519 0 50 CCAA O=C(N[C@@H]1COc2ccccc2C1)[C@H]1C[C@H]1C(=O)O 268912549 OHOMHTGTMZDSTI-GARJFASQSA-N 261.277 0.827 0 50 CCAA Cn1c(N2CCC[C@](O)(C(N)=O)C2)nc2ccccc21 284738511 WKMIXFHLZQOYSM-CQSZACIVSA-N 274.324 0.390 0 50 CCAA O=S(=O)(N[C@@H]1CCOC1)c1cnc(C2CC2)o1 2325803846 GHWIURPHPTYKLT-MRVPVSSYSA-N 258.299 0.619 0 50 CCAA Cc1ccc(S(=O)(=O)CC(=O)N2CCOCC2)cc1 617679 VNKAWTKRHIUZOW-UHFFFAOYSA-N 283.349 0.628 0 50 CCAA CC1(C)OC[C@@H]2O[C@@]3(CO)OC(C)(C)O[C@@H]3[C@@H]2O1 4429962 GQXSDDHYUVYJCQ-HAYRHPOISA-N 260.286 0.377 0 50 CCAA in-vitro CN1CCN(Cc2cccc(O)c2)C[C@H]1CCO 104527718 WMKIRZSTNDQWKW-CYBMUJFWSA-N 250.342 0.891 0 50 CCAA O=C(Nc1nnn[nH]1)c1n[nH]c2c1CCc1ccccc1-2 170625732 CUNFYHPEGZIYQE-UHFFFAOYSA-N 281.279 0.941 0 50 CCAA COc1ccc(-n2c(CCN)n[nH]c2=O)cc1OC 67434024 VIYALWSTVVHBGH-UHFFFAOYSA-N 264.285 0.079 0 50 CCAA CO[C@]1(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CCOC1 332950276 VZYRSCXLQARYNE-OUCADQQQSA-N 269.341 0.866 0 50 CCAA CCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CCNC1 236948390 PNSREXJNAOVVBV-CQSZACIVSA-N 289.379 0.761 0 50 CCAA COCCn1cnnc1Cn1cnc2c(C)cccc2c1=O 32533064 ZCUFNRLQNUYEIQ-UHFFFAOYSA-N 299.334 0.991 0 50 CCAA O=C(Cc1n[nH]c2ccccc12)N1C[C@H](O)C[C@H]1CO 366699803 VXONREZMVKZQLQ-VHSXEESVSA-N 275.308 0.060 0 50 CCAA CC(=O)NCc1ccc(C(=O)N2CCNC[C@H]2C)s1 125341474 DFTBVPPVAULLRM-SECBINFHSA-N 281.381 0.818 0 50 CCAA Cc1nnc(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)s1 333889677 YLGQJNSDFGKQBI-AOOOYVTPSA-N 282.369 0.440 0 50 CCAA O[C@@]1(Cn2ccnn2)CCCN(CCc2ccccn2)C1 284544397 KZEGXGYVPHXZQH-HNNXBMFYSA-N 287.367 0.743 0 50 CCAA CCN1CCN(c2ncnc3c2c(C)nn3C)[C@H](C)C1=O 72470229 ILLBLGBFNUCVAC-SNVBAGLBSA-N 288.355 0.729 0 50 CCAA Cc1noc([C@@H]2CN(Cc3cc[nH]n3)CCN2C)n1 285455797 JUYOZHQZAVTVFB-NSHDSACASA-N 262.317 0.590 0 50 CCAA CCCNC(=O)CNC(=O)[C@H]1CC12CCNCC2 70252417 AZAVAORVZMYTFQ-SNVBAGLBSA-N 253.346 0.019 0 50 CCAA Cc1ccc(NC(=O)N2CCS(=O)(=O)CC2)c(C)n1 176740938 SKZWTWGSYPYPEB-UHFFFAOYSA-N 283.353 0.961 0 50 CCAA Cc1nccn1CCN(C)C(=O)COC[C@H]1CCCO1 223080194 FOGBXNATVZOOPK-CYBMUJFWSA-N 281.356 0.846 0 50 CCAA CCCc1cc(NC[C@@](C)(O)C(=O)O)n2ncnc2n1 263568958 YWRTYCXTJFOLOH-GFCCVEGCSA-N 279.300 0.324 0 50 CCAA COC[C@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCO1 178143795 IQDYZJGROKIGRP-ZIAGYGMSSA-N 278.352 0.430 0 50 CCAA O=C(CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)NC1CC1 227219761 UDNDSSWLRFWZMA-DLOVCJGASA-N 266.341 0.983 0 50 CCAA O=C(O)c1ccccc1CN1CCN([C@H]2CCNC2)CC1 97759243 OGUWCBGXYBGQRQ-AWEZNQCLSA-N 289.379 0.864 0 50 CCAA Cn1c(=O)[nH]cc(Cc2ncnn2C2CCCCC2)c1=O 91526608 IHVALCQPABXAIH-UHFFFAOYSA-N 289.339 0.761 0 50 CCAA O=C1CCc2ccccc2N1CC(=O)N1[C@H]2CC[C@@H]1CNC2 95517021 VXUPSOUENAFKDF-OKILXGFUSA-N 299.374 0.929 0 50 CCAA Cc1nn(C)c(-c2nncn2N)c1Br 524735511 GXWYHNHPCMFYJI-UHFFFAOYSA-N 257.095 0.463 0 50 CCAA CCc1noc(C)c1CN1CCC([C@H](O)C(N)=O)CC1 299752936 WAWGLBZRYSQATF-ZDUSSCGKSA-N 281.356 0.604 0 50 CCAA CC(C)c1nccn1CCC(=O)N1CCO[C@H]2CNC[C@H]21 299745113 WGHVTQNTGHPYPH-OLZOCXBDSA-N 292.383 0.596 0 50 CCAA CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)c1ccc[nH]1 584895385 QOKBQOJMVPEIFT-NSHDSACASA-N 299.396 0.949 0 50 CCAA CNC(=O)C[C@H]1CCN(Cc2cnc(N(C)C)nc2)C1 670469502 IDQOUXLDTQEKFY-LLVKDONJSA-N 277.372 0.501 0 50 CCAA CN(C)C[C@H]1COCCN(CCCn2cccn2)C1 670470547 RBVJGLAVZOJKRZ-CQSZACIVSA-N 266.389 0.783 0 50 CCAA COCCn1ccnc1CN(C)Cc1ncon1 670455069 RVWZUKMTMZVBDQ-UHFFFAOYSA-N 251.290 0.545 0 50 CCAA CS(=O)(=O)Nc1ccc([C@H]2CNC[C@@H](N)C2)cc1 757216233 ZGTPKLKJOABJCW-MNOVXSKESA-N 269.370 0.462 0 50 CCAA O=C(CCN[C@]1(CO)CCOC1)Nc1cccc(F)c1 952877393 PONZLZYAQDTBOG-AWEZNQCLSA-N 282.315 0.895 0 50 CCAA O=c1c2sccc2ncn1CCN1CCOCC1 32590435 JNKSJARMYABWTL-UHFFFAOYSA-N 265.338 0.790 0 50 CCAA Cc1ccc(N)c(C(=O)NCCc2nnc(S)n2C)c1 1875279145 SQTLIHZCJBNUPN-UHFFFAOYSA-N 291.380 0.967 0 50 CCAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cc2n(n1)CCC2 886999717 SMDXIIVOCYHYPP-CHWSQXEVSA-N 291.351 0.489 0 50 CCAA C[C@@H]1COCCN1Cc1cn(-c2cnn(C)c2)nn1 899718525 KIZGCUCYTGKIRL-SNVBAGLBSA-N 262.317 0.222 0 50 CCAA CCOCC(=O)N[C@H](Cc1ccccc1O)C(=O)O 1775992465 SQVAWHKARXXHFB-SNVBAGLBSA-N 267.281 0.541 0 50 CCAA O=C(N[C@H]1CCNC[C@@H]1O)NC12CC3CC(CC(C3)C1)C2 1565526092 FIQRXINGPFYGQF-FUDOWXGNSA-N 293.411 0.977 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cnn(CC2CC2)c1 630357985 XQRGMAYGRZJOBL-SKDRFNHKSA-N 276.340 0.690 0 50 CCAA O=C(NC1CC1)[C@H](O)C1CCN(Cc2ccncc2)CC1 548679955 WTNMBDKZHHXOMN-OAHLLOKOSA-N 289.379 0.933 0 50 CCAA C[C@@H](N)[C@H]1CN(C(=O)c2ncc3n2CCCC3)CCO1 634288472 NOBDABMVRWYYHB-ZYHUDNBSSA-N 278.356 0.408 0 50 CCAA CCOC(=O)[C@H]1CCCN1c1cc(C(=O)OC)ncn1 585133069 QMKUSUJQZWXNCX-SNVBAGLBSA-N 279.296 0.795 0 50 CCAA C[C@H](NC(=O)CN1C(=O)Cc2ccccc21)c1nncn1C 666475147 WKYMBBFBEMTHIB-JTQLQIEISA-N 299.334 0.582 0 50 CCAA Cn1ncc(C2CC2)c1CNC(=O)N1CCO[C@@H](CO)C1 666580573 JXIYHNOTOYJTQN-LLVKDONJSA-N 294.355 0.200 0 50 CCAA CN(C)c1ncc2c(n1)[C@]1(CCCN(CC(N)=O)C1)CC2 1704301445 ZSZNLVVMECOFMN-OAHLLOKOSA-N 289.383 0.308 0 50 CCAA Cc1nc(N2CC(N3CCOCC3)C2)c2[nH]ccc2n1 1857705634 OOKCNVOXIBHJRI-UHFFFAOYSA-N 273.340 0.787 0 50 CCAA Cn1nccc1[C@H](CO)NC(=O)CCc1cncc(F)c1 1614646716 XOGIFPOTUCOCMP-LBPRGKRZSA-N 292.314 0.737 0 50 CCAA CN1CCO[C@H](C(=O)N2CC(Nc3ccccc3)C2)C1 1615000921 HICJJYCZOXZOQZ-AWEZNQCLSA-N 275.352 0.640 0 50 CCAA Cc1ccc([C@H](N)C(=O)N2CCC(O)(CCN)CC2)cc1 1615056437 XQURMIHLSXOYMV-AWEZNQCLSA-N 291.395 0.697 0 50 CCAA O=C1CO[C@@]2(CCN(C(=O)CC3=CCCC3)C2)CN1 1775979505 WJZNAFPOANFDBG-AWEZNQCLSA-N 264.325 0.604 0 50 CCAA CN1CCC2(CC1)CN(c1cc(C(N)=O)ccn1)CCO2 1772811546 YQJIBYRQGYJSGJ-UHFFFAOYSA-N 290.367 0.482 0 50 CCAA CN1CCN(C(=O)c2cccc(O)n2)CC12CCOCC2 1775979504 WJQJWHUDGVPHTA-UHFFFAOYSA-N 291.351 0.724 0 50 CCAA CN1CC[C@@H]2CN(c3ncnc4[nH]cnc34)C[C@@H]2C1=O 1772812371 GWFKCIBERRQBKD-BDAKNGLRSA-N 272.312 0.267 0 50 CCAA N=c1[nH]nc(N2CCO[C@@H](c3cccnc3)C2)s1 1857671706 YIVJWPJYSZTOID-SECBINFHSA-N 263.326 0.924 0 50 CCAA N=c1nc(O)cc(-c2ccc([C@@H]3CNC(=O)C3)cc2)[nH]1 1875243768 WMDOJGREHTYFMK-JTQLQIEISA-N 270.292 0.865 0 50 CCAA COC(=O)[C@@H]1[C@H](O)CCCN1Cc1c(C)noc1C 225454794 AEEXXMACJRUQQZ-NEPJUHHUSA-N 268.313 0.790 0 50 CCAA CO[C@@H](C(=O)N1CC(CC(=N)O)C1)c1cnn(C)c1 331785263 OPIGAQAMJQUUMO-LLVKDONJSA-N 266.301 0.491 0 50 CCAA NC(=O)[C@H]1CN(Cc2ccc3cn[nH]c3c2)CCO1 126229992 YCSRVKZGJMDRCL-GFCCVEGCSA-N 260.297 0.249 0 50 CCAA O=C(c1cc(F)c[nH]1)N1CCC[C@@H](N2CCNC2=O)C1 549640987 NDXPQWIRSKRGEV-SNVBAGLBSA-N 280.303 0.784 0 50 CCAA O=C(c1n[nH]c2c1CCCC2)N1CC[C@H](CO)[C@H](O)C1 683356409 UPLGGQFVYUHZKS-BXKDBHETSA-N 279.340 0.104 0 50 CCAA O=C(NC1(C(=O)O)CCSCC1)c1cncc(O)c1 909348741 PFYOIIXDLUCKPW-UHFFFAOYSA-N 282.321 0.867 0 50 CCAA O=C([C@@H]1CCCCO1)N1CCN(Cc2cn[nH]c2)CC1 823029361 DXUAFSSWZMXUGR-ZDUSSCGKSA-N 278.356 0.623 0 50 CCAA c1cnc(N2CCN(CC[C@@H]3COCCO3)CC2)nc1 1775982930 VJSPHQCSWQZEAN-CYBMUJFWSA-N 278.356 0.404 0 50 CCAA N[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1c1ccccc1 261883462 YWMLRGOIOIVRHM-HZSPNIEDSA-N 260.337 0.976 0 50 CCAA NCC[C@H]1CN(Cc2cccc(C(=O)O)c2)CCO1 426545007 ICISXYSYWORZSZ-ZDUSSCGKSA-N 264.325 0.934 0 50 CCAA CN1CCN(C(=O)c2cnc(N)s2)CC1(C)C 584895357 AKBZOACEUPCKHX-UHFFFAOYSA-N 254.359 0.892 0 50 CCAA COC(=O)[C@@H](Cc1cccs1)NC(=O)Cn1ccnc1 2325781837 SVCFWEANGLKVAX-LLVKDONJSA-N 293.348 0.845 0 50 CCAA CCCn1c(=O)c2c(nc3n(CC)c(C)cn23)n(C)c1=O 4250924 UUQMMAZQAMOYRH-UHFFFAOYSA-N 289.339 0.888 0 50 CCAA O=S(=O)(N1CCCC1)n1nnc2ccccc21 8714291 YYXDTEFYGZYNHV-UHFFFAOYSA-N 252.299 0.620 0 50 CCAA Cc1cc(C(=O)NC[C@@]2(O)CCO[C@@H]2C)ccn1 228689381 JMULSNVAQOKPSY-MFKMUULPSA-N 250.298 0.660 0 50 CCAA N[C@@]1(C(=O)O)CCN(Cc2cccn2-c2ccncc2)C1 67772522 LWEAZNXHUOSDQD-HNNXBMFYSA-N 286.335 0.860 0 50 CCAA O=C(CN1CCOc2ccccc2C1)N[C@H]1CCOC1 215266314 DJZAYYNFMLAAHY-ZDUSSCGKSA-N 276.336 0.786 0 50 CCAA Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCn1ncnn1 332728293 UWIPDBWKUZEBTP-VHSXEESVSA-N 277.353 0.963 0 50 CCAA Cc1cc(-c2nc(CS(=O)(=O)N(C)C)no2)n[nH]1 356326868 XWARCRXGINJXJC-UHFFFAOYSA-N 271.302 0.160 0 50 CCAA O=C([C@H]1CCOC1)N1CCC(CN2CCOCC2)CC1 66917924 AZOYNWBEASSHCZ-AWEZNQCLSA-N 282.384 0.594 0 50 CCAA COCCCN[C@H]1CCCC[C@H]1n1cc(CO)nn1 328607126 UPIOPCONZPKRHE-QWHCGFSZSA-N 268.361 0.880 0 50 CCAA C[C@H]1OCC[C@@]12CN(C(=O)NCc1ccn(C)n1)CCO2 332933110 JGVAQZGEQQIDQJ-BXUZGUMPSA-N 294.355 0.510 0 50 CCAA Cc1cc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)no1 285342269 WIPFHVAQUPERQD-BXUZGUMPSA-N 289.339 0.778 0 50 CCAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1ccncc1)C2 72418830 UWWDDYXPJCPPKT-QWHCGFSZSA-N 273.336 0.703 0 50 CCAA CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1COc2ccccc2[C@@H]1O 378143885 FJKLSMVAWMZOJP-GYSYKLTISA-N 290.319 0.218 0 50 CCAA CCOC[C@H]1CN(C(=O)NCC[C@H]2CCCNC2)CCO1 529331185 JDEKCCQVCVYLIA-ZIAGYGMSSA-N 299.415 0.823 0 50 CCAA C[C@@H](CS(C)(=O)=O)N1CCCC2(CCNCC2)C1 426498808 ZRDNPTCRKUHPGD-LBPRGKRZSA-N 274.430 0.885 0 50 CCAA C[C@@H](NC(=O)N(C)CC1(CO)CCC1)c1nncn1C 426393068 RWQBIYCDQXVASK-SNVBAGLBSA-N 281.360 0.680 0 50 CCAA CN1CCN(C2CCOCC2)C[C@]12CCNC(=O)CC2 91486642 DITYAGXWQFRSPL-HNNXBMFYSA-N 281.400 0.452 0 50 CCAA COc1ccc(NC(=O)N[C@H]2CNCC[C@H]2O)cc1OC 426552234 DJSAXPRYLZVRPZ-WDEREUQCSA-N 295.339 0.548 0 50 CCAA CC(C)N1CCO[C@H](CC(=O)NCCc2c[nH]cn2)C1 97805631 LXIDGRKUERVQQX-CYBMUJFWSA-N 280.372 0.568 0 50 CCAA CC1=NO[C@@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)C1 244884154 YGKIQOKSJKMEFC-LLVKDONJSA-N 293.327 0.187 0 50 CCAA Cn1cc(CN(CC(=O)Nc2ccn(C)n2)C2CC2)cn1 244795627 RKHIGBKJBYIEAB-UHFFFAOYSA-N 288.355 0.757 0 50 CCAA O=C(O)c1ccc(OCCCN2CC(O)C2)cc1 252486895 HQCAGLDLZCGXDF-UHFFFAOYSA-N 251.282 0.830 0 50 CCAA CCOC(=O)N1CC[C@@H](NCCc2ncc[nH]2)C1 534649169 FKIMHBTXGBCORI-SNVBAGLBSA-N 252.318 0.773 0 50 CCAA O=C1OC[C@@H]2CN(c3nnnn3-c3ccccc3)CCN12 366233654 KHGJMSCKYAZKLY-NSHDSACASA-N 286.295 0.303 0 50 CCAA COCCCn1cnnc1CNC1CCN(C)CC1 824396928 UFEMLNWYIIEENM-UHFFFAOYSA-N 267.377 0.498 0 50 CCAA O=C1CCCCN1CCCC(=O)N1CCC(O)CC1 828630010 GKMGFPPNRLAPTA-UHFFFAOYSA-N 268.357 0.762 0 50 CCAA Cc1nccn1CCn1cnc2cccnc2c1=O 584900840 CMNSQYSMZLTSFW-UHFFFAOYSA-N 255.281 0.997 0 50 CCAA COCC[C@H]1CN(c2ncc(F)c(OC)n2)CCO1 670441090 RHPBBYYCKRRVMD-VIFPVBQESA-N 271.292 0.866 0 50 CCAA CCS(=O)(=O)CCn1cc(-c2cnn(C)c2)nn1 1875281863 AZDCGZRCKIDKOS-UHFFFAOYSA-N 269.330 0.113 0 50 CCAA Cc1cccc(C(=O)N[C@H](C(=O)O)c2nn[nH]n2)c1 1875354366 FQLXOMMHRXJEBC-QMMMGPOBSA-N 261.241 0.064 0 50 CCAA C[C@@H](CN(C)C(=O)c1cc[nH]c1)N1CCOCC1 952964071 LWTUXRWMFDACAZ-NSHDSACASA-N 251.330 0.807 0 50 CCAA COCCn1ccnc1CN1CCCC[C@H]1C(=O)O 244778609 PTPRNADTUNYXKS-NSHDSACASA-N 267.329 0.969 0 50 CCAA C[C@@H](CN(C)CCO)NCCc1ccc(O)cc1 1506428664 YAMOIGFAYGUIFG-LBPRGKRZSA-N 252.358 0.837 0 50 CCAA Cc1conc1C(=O)N1CCC[C@@H]1CN1CCOCC1 631537602 GROCAOKDKFTOSD-GFCCVEGCSA-N 279.340 0.920 0 50 CCAA C[C@@H]1CN(C(=O)N[C@H](C)c2cn[nH]c2)C[C@H]1CO 276993485 XPIITFHRVMVOEQ-KKZNHRDASA-N 252.318 0.741 0 50 CCAA CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](O)C1(C)C 408081801 WKARTRNQUJJCNJ-WOPDTQHZSA-N 268.357 0.663 0 50 CCAA Cc1n[nH]cc1CNC(=O)N1CCC(C)(O)CC1 408262158 VRTQSXAISWRIRR-UHFFFAOYSA-N 252.318 0.775 0 50 CCAA Cn1cc(CC(=O)N2CC[C@@H](N3CCCC3)C2)cn1 171454740 JLUXZYFNKJLBQB-CYBMUJFWSA-N 262.357 0.659 0 50 CCAA Cn1cc(CN2CCCN([C@H](C(=O)O)C3CC3)CC2)cn1 635018456 ZRJHRTOENZXKIQ-AWEZNQCLSA-N 292.383 0.791 0 50 CCAA O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@H]1C(F)(F)F 585125737 DISXNYPAFJOAPQ-SVRRBLITSA-N 287.259 0.168 0 50 CCAA CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O 58132 ZNQRGUYIKSRYCI-APPZFPTMSA-N 259.327 0.978 0 50 CCAA in-vitro CCN(C)c1ccnc(N2CCOC[C@@H](CN(C)C)C2)n1 1704315254 YURGRSUEURXRKL-ZDUSSCGKSA-N 293.415 0.947 0 50 CCAA COc1cnc(N2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)nc1 1704304150 OXMYZMULGJLHNO-MFKMUULPSA-N 289.339 0.557 0 50 CCAA COCCc1noc(CCn2c(C)cc(O)cc2=O)n1 1547200773 FAEUDOCIZNRSJI-UHFFFAOYSA-N 279.296 0.677 0 50 CCAA CCc1ccccc1C(=O)NC[C@](C)(O)C(=O)O 161750072 SZDXRLCFJSQZMD-ZDUSSCGKSA-N 251.282 0.814 0 50 CCAA O=C([C@H]1COc2ccccc21)N1CCO[C@@]2(CCNC2)C1 1616040511 NKUWHSOUZYCDHB-XJKSGUPXSA-N 288.347 0.754 0 50 CCAA OC[C@]12CCOC[C@H]1CN(CCn1cc(Cl)cn1)C2 1772708094 DUAJMFNOPKZVNB-DGCLKSJQSA-N 285.775 0.867 0 50 CCAA O=C1CN(C(=O)c2ccc3c(c2)OCCO3)CCN1 20537414 XKMAHPVZXWYLJZ-UHFFFAOYSA-N 262.265 0.030 0 50 CCAA CCOC(=O)[C@H](C(C)=O)[C@H](C(C)=O)C(=O)OCC 12412209 GJEDSIHWCPPJFN-AOOOYVTPSA-N 258.270 0.523 0 50 CCAA CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)c(OC)co1 330388710 NJXYCXFMBUASNU-RKDXNWHRSA-N 294.307 0.293 0 50 CCAA O[C@]1(Cn2ccnn2)CCN(c2cnc3ccccc3n2)C1 671467016 SZTKLBNTTFDHON-OAHLLOKOSA-N 296.334 0.863 0 50 CCAA Cc1nc2n(n1)C[C@@H](C(=O)NCCc1ccns1)CC2 829155904 AXPUJBSZUPYQAA-JTQLQIEISA-N 291.380 0.964 0 50 CCAA COCCO[C@@H](C)c1nnc2n1CC[C@H](C(=O)OC)C2 1118983947 UYUWKTIOPNKSPY-UWVGGRQHSA-N 283.328 0.738 0 50 CCAA COC[C@](C)(CC(=O)O)NC(=O)c1cc(C)n(C)n1 262080253 DLLYZAVVHRGZIQ-LBPRGKRZSA-N 269.301 0.338 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(C)C(=O)C[C@@H](N)c1ccccc1 170682402 AMSBTOJPYHRJTI-WCQYABFASA-N 298.408 0.968 0 50 CCAA COC(=O)N1CCC[C@@H](NC(=O)N[C@H]2CCN[C@@H]2C)C1 2325806801 HHKQOOGAEXESGT-MXWKQRLJSA-N 284.360 0.267 0 50 CCAA O=C(c1ncnc2c1CCC2)N1CC(c2cc(O)no2)C1 2325811216 CVXZSMXAPUNCOX-UHFFFAOYSA-N 286.291 0.899 0 50 CCAA CCc1nsc(N2CCC(c3nn[nH]n3)CC2)n1 895005551 FSVAABHVLSXVNG-UHFFFAOYSA-N 265.346 0.998 0 50 CCAA O=[S@](C[C@H](O)COc1ccccc1)c1ncn[nH]1 4947601 SKIPBNCUOWMZAC-LZVRBXCZSA-N 267.310 0.352 0 50 CCAA O=C(O)C1CCN(C(=O)CN2C[C@@H]3CC[C@H]2C3)CC1 54262847 RKZHERDQQKNFNL-PWSUYJOCSA-N 266.341 0.794 0 50 CCAA CC(C)c1nc(CCN(C)C(=O)c2ncn[nH]2)no1 67818196 RXUAOQFSOCEIMF-UHFFFAOYSA-N 264.289 0.626 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(NC(C)=O)cc1 67946255 CAOXJZVAAJKZST-JSGCOSHPSA-N 290.367 0.293 0 50 CCAA CC1(C)NC(=O)N([C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)C1=O 349012534 JQZATPYLDMYVDU-KKZNHRDASA-N 295.339 0.143 0 50 CCAA Cc1cnn([C@H](C)[C@H](C)NC[C@@H](O)CN2CCOCC2)c1 229570811 VOPQICIVIIFJFC-RRFJBIMHSA-N 296.415 0.424 0 50 CCAA C[C@@H]1CN(C)CCN1[C@@H](C(=O)NC(N)=O)c1ccccc1 229807160 ICOHVCDQERHHSL-DGCLKSJQSA-N 290.367 0.559 0 50 CCAA COCCN1C[C@@H](C(=O)N(C)CC(F)(F)F)CC1=O 124562649 KMMJYCDIQOFFLH-QMMMGPOBSA-N 282.262 0.502 0 50 CCAA CN1C[C@@H](CN=c2ccc(C(N)=O)n[nH]2)Cc2ccccc21 364649448 CRQKHIXKMMJZMK-LLVKDONJSA-N 297.362 0.718 0 50 CCAA CCCC(O)(CCC)CC(=O)N1C[C@H](O)C[C@H]1CO 363694899 AKUCXXRMFBZQGT-NWDGAFQWSA-N 273.373 0.662 0 50 CCAA COc1ccc(C(=O)N2CCO[C@H]3CNC[C@H]32)c(C)c1 367191112 JGCLZNIQZRFFMY-KGLIPLIRSA-N 276.336 0.816 0 50 CCAA COC[C@H]1CN(C(=O)CCn2ccnn2)CC(C)(C)O1 343714826 BZHKXJIVSGKBRS-LLVKDONJSA-N 282.344 0.321 0 50 CCAA CCOCCCNC(=O)[C@@H](C)N1CC[C@](O)(C(F)F)C1 451439686 OGZUEPYBLIIKIC-ZWNOBZJWSA-N 294.342 0.620 0 50 CCAA Cc1nc(CC(=O)N2CC[C@]3(CC(=O)NC3=O)C2)cs1 77380458 OVQXFVRMOKNSME-ZDUSSCGKSA-N 293.348 0.259 0 50 CCAA CN(CCNC(=O)N1CC(O)C1)CCc1ccccc1 426382813 UCMRNBYCQJIQTB-UHFFFAOYSA-N 277.368 0.547 0 50 CCAA COc1ncnc(OC)c1C(=O)N[C@H]1CCC[C@H]1CN 178148794 ITEJOTWYUSDJRH-IUCAKERBSA-N 280.328 0.351 0 50 CCAA O=C(CCCc1cn[nH]c1)NC1(C(=O)O)CCC1 426549029 AMPPWFARJKDDRL-UHFFFAOYSA-N 251.286 0.856 0 50 CCAA CC[C@H]1CC[C@H](NC(=O)c2cnn(C[C@@H](O)CO)c2)CC1 615240089 BNGPNINMWQDZSR-MRVWCRGKSA-N 295.383 0.935 0 50 CCAA CCN(CCN(C)C)C(=O)N[C@H](C)c1n[nH]c(C)n1 426693796 PPNDTDUBBJKBFI-SECBINFHSA-N 268.365 0.767 0 50 CCAA O=C(C[C@@H]1CCOC1)NCc1nnnn1-c1ccccc1 426470628 MAJUSISIFUILQZ-NSHDSACASA-N 287.323 0.705 0 50 CCAA OCCn1ncnc1-c1ccc2c(c1)ncn2CCO 92045953 IGYLLEJQDWYRTD-UHFFFAOYSA-N 273.296 0.279 0 50 CCAA CCN1CCN(Cc2cn(C)nc2C)[C@@H](C)C1=O 97772806 RGPLWTYJEOUURH-NSHDSACASA-N 250.346 0.781 0 50 CCAA Cn1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1 628260317 CHQRWJPCRKPFFC-CHWSQXEVSA-N 290.323 0.023 0 50 CCAA C[C@@H](c1ccncn1)N(C)CCc1cnc(O)n(C)c1=O 253536225 BRBJMMBAPQBSEZ-JTQLQIEISA-N 289.339 0.511 0 50 CCAA Cc1ncc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)[nH]1 630131646 RMVTVNUTTKDSDX-SNVBAGLBSA-N 281.312 0.814 0 50 CCAA CNC(=O)c1cccnc1NC[C@H](O)CN1CCCCC1 360952292 YTRJQBMZVWFIPS-LBPRGKRZSA-N 292.383 0.700 0 50 CCAA C[C@H](C(=O)NCCCc1nnc2ccccn12)n1cncn1 299800453 WQRMHJOKRXUQMG-LLVKDONJSA-N 299.338 0.631 0 50 CCAA CCNC(=O)[C@H]1CCN(Cc2cnc(CCOC)nc2)C1 824462299 AIXNSSPQJLPGSJ-ZDUSSCGKSA-N 292.383 0.624 0 50 CCAA COCCCn1cnnc1CNC(=O)C[C@H]1CCOC1 824396427 MLNATSLKCIDLDY-LLVKDONJSA-N 282.344 0.357 0 50 CCAA O=C(NCCc1nc(C2CC2)no1)c1cncc(=O)[nH]1 584903462 OOZYXNMLBPVEBH-UHFFFAOYSA-N 275.268 0.003 0 50 CCAA C=CC(=O)N(C)CC(=O)NC1(C2CCOCC2)CC1 1875367643 ZIYKANRFHKAIHA-UHFFFAOYSA-N 266.341 0.706 0 50 CCAA Cc1cccc(-n2ncc(C(=O)NS(C)(=O)=O)n2)c1 1875391075 HTDNPUQNMUECTP-UHFFFAOYSA-N 280.309 0.265 0 50 CCAA Cc1nc2ncnn2c(NCc2cc(C(=O)O)n[nH]2)c1C 1875333222 JKPGSYRLAKNRKL-UHFFFAOYSA-N 287.283 0.775 0 50 CCAA O=C(N[C@@H]1CO[C@H]2COC[C@@H]12)c1cc(O)nc(C2CC2)n1 1875302489 SGEOZTVAMWBISS-GDPRMGEGSA-N 291.307 0.203 0 50 CCAA N[C@@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1n1ccnn1 952887231 LYOFHUSGRMXOSP-OLZOCXBDSA-N 286.339 0.017 0 50 CCAA O=C(NC1COC1)c1c[nH]nc1C1CCOCC1 1875269569 AHTNOLAYUSPJRD-UHFFFAOYSA-N 251.286 0.432 0 50 CCAA O=C(Nc1cnn(C[C@H]2CCCN2)c1)c1ncccc1O 1875292525 KWCFDVBLICDKOR-SNVBAGLBSA-N 287.323 0.988 0 50 CCAA O=C(NS(=O)(=O)Cc1ccon1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 1875283901 GZISANPPKCXLMI-UFSYXXTASA-N 296.348 0.913 0 50 CCAA O=C(NC[C@H]1CNCCO1)c1nc2c(s1)CCCC2 952990750 YAUJCPNIICGQKH-SECBINFHSA-N 281.381 0.740 0 50 CCAA COc1cc(NC(=O)CCNC(C)=O)ccc1O 952973947 YUKVMZOOYMEVMQ-UHFFFAOYSA-N 252.270 0.866 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)Nc2c(C)n[nH]c2C)C1=O 886087963 FSBBKTYFGJONPK-LLVKDONJSA-N 294.355 0.993 0 50 CCAA Cc1cc(N2CCN(CC(F)(F)CO)CC2)nc(C)n1 895101585 IEEISQYBHUEINK-UHFFFAOYSA-N 286.326 0.843 0 50 CCAA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)[C@H]1CCOC1=O 275553690 FIKRTTGOBWNEHG-SRVKXCTJSA-N 294.330 0.641 0 50 CCAA COc1cccc(CN2CC[C@](O)(Cn3ccnn3)C2)n1 671492329 DFXUIDFRKOXUIH-CQSZACIVSA-N 289.339 0.319 0 50 CCAA O=C(Cc1cncs1)N1CCC[C@H](OCCO)C1 188573752 ZMMMHNSNGCCNDI-JTQLQIEISA-N 270.354 0.686 0 50 CCAA NC(=O)c1cccc(CCNC(=O)[C@H]2C[C@H](N)C2)c1 662568256 PWMZEWZQTKDTHV-HAQNSBGRSA-N 261.325 0.182 0 50 CCAA Cn1nc(C(=O)N[C@H]2CCc3n[nH]cc3C2)cc1O 668745997 VMFOVDPYHMPBKE-QMMMGPOBSA-N 261.285 0.136 0 50 CCAA Cc1nn[nH]c1C(=O)N(CCO)Cc1ccc(F)cc1 1506412007 MJYKOVCUQNYSBF-UHFFFAOYSA-N 278.287 0.887 0 50 CCAA CCN1CCN(C(=O)CSc2nnc(C)o2)[C@H](C)C1=O 1506427498 JRPYVPISPQMUPH-MRVPVSSYSA-N 298.368 0.549 0 50 CCAA O=C1NC[C@H](C(=O)NCc2cccc(F)c2Cl)N1 1857691679 WIVGWPMBHNVDJH-MRVPVSSYSA-N 271.679 0.777 0 50 CCAA CN(C)CCc1nnc(NC(=O)c2ccno2)s1 1529100730 YIAUAKMPDOAEHF-UHFFFAOYSA-N 267.314 0.883 0 50 CCAA Cc1nnc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)s1 1875247024 PJNXSNVCMMFDFL-ZJUUUORDSA-N 282.369 0.136 0 50 CCAA Cc1cc(N2CCN(c3cnn(C)c3)CC2)ncn1 408220104 SQZZVTZFJOLYCO-UHFFFAOYSA-N 258.329 0.845 0 50 CCAA CO[C@@H]1C[C@H](C(=O)NCCn2cccn2)CC[C@@H]1O 1704312557 FMBIXFZALBWCST-GRYCIOLGSA-N 267.329 0.175 0 50 CCAA Cc1ncc(CN(CCO)C(=O)COC[C@@H]2CCCO2)[nH]1 1704308471 RTSFQLGVTKAJQC-ZDUSSCGKSA-N 297.355 0.235 0 50 CCAA CCN1CCn2c(CCc3c(C)n[nH]c3C)nnc2C1=O 1772813606 JMHMUCTVWPGYNI-UHFFFAOYSA-N 288.355 0.879 0 50 CCAA Cc1cc(C(=O)N2CCN(C)C3(CCOCC3)C2)no1 1775983510 MQWDEGAGXUIWFQ-UHFFFAOYSA-N 279.340 0.920 0 50 CCAA Cc1nsnc1C(=O)N(CCO)Cc1ncc[nH]1 1772708910 FCHLQSIBFVBUPN-UHFFFAOYSA-N 267.314 0.204 0 50 CCAA CN(Cc1ccno1)C[C@@]1(O)CCCN(CC2CC2)C1=O 12093986 AKLBZDWEPFJKHJ-HNNXBMFYSA-N 293.367 0.870 0 50 CCAA O=C1CN(S(=O)(=O)CC2CC2)CCN1C1CC1 328688651 BDCHQIJKGNAPLC-UHFFFAOYSA-N 258.343 0.033 0 50 CCAA CCCCNC(=O)[C@@H](C)N1CC[C@H](n2ccnn2)C1 585116356 RWESBVIDVDTFGZ-NEPJUHHUSA-N 265.361 0.830 0 50 CCAA O=C1C[C@@H](N(C(=O)c2nccc3occc23)C2CC2)C(=O)N1 824862757 LFFWAHSBIWZETF-SNVBAGLBSA-N 299.286 0.848 0 50 CCAA CS(=O)(=O)N1CCN(C[C@H]2CC=CCC2)CC1 49573756 BHIAJEOAWYMVLY-LBPRGKRZSA-N 258.387 0.920 0 50 CCAA O=C(c1csc(C2CC2)n1)N1C[C@@H](O)C[C@H]1CO 359545400 ITVXTSNRLWPOHG-IUCAKERBSA-N 268.338 0.588 0 50 CCAA CC[C@H](C(=O)O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 364928705 DGLOPLQJFYEMAW-UTUOFQBUSA-N 256.346 0.381 0 50 CCAA C[C@@](O)(CN1CCC[C@H](C(=O)NCCN)C1)C(F)(F)F 380765175 QKZXSLFKVHZXSP-GXSJLCMTSA-N 297.321 0.087 0 50 CCAA Cn1[nH]c(COC(=O)Cc2cc(C3CC3)no2)nc1=O 850156799 OVNUXTXSXYMDCS-UHFFFAOYSA-N 278.268 0.260 0 50 CCAA O=C1N[C@H](C(=O)Nc2cnn3cccnc23)C2(CCC2)O1 2325810611 UJQPKPIHJFWVRH-SECBINFHSA-N 287.279 0.699 0 50 CCAA COC(=O)CNC(=O)c1ccc(OC)cc1OC 288299 QIDNUZWBSYAKST-UHFFFAOYSA-N 253.254 0.607 0 50 CCAA COC(=O)[C@@H](Cc1ccc(OC)cc1)NC(C)=O 399343 HCLXPKBWRUCQAF-GFCCVEGCSA-N 251.282 0.915 0 50 CCAA O=C([C@@H]1C[C@@H](F)CN1Cc1ccncc1)N1CCOCC1 344521764 LOALXRRCWODQMN-KGLIPLIRSA-N 293.342 0.853 0 50 CCAA O=S1(=O)C[C@@H](O)[C@@H](Nc2ccc(Cl)cc2)C1 3865624 BGCCMXFVNQHEJF-VHSXEESVSA-N 261.730 0.910 0 50 CCAA Cc1nc(NC(=O)NCCN2CCCC2=O)nn1C(C)C 55413676 PWZQXWVLSSCCSW-UHFFFAOYSA-N 294.359 0.911 0 50 CCAA COC[C@H](O)CN(C)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 242106323 WISLKIUWYDVOAG-IJLUTSLNSA-N 294.417 0.148 0 50 CCAA C[C@H](OCC(F)(F)F)C(=O)N1CC[C@H](C(=O)O)C1 237561513 AGDDDMDGXBQBAB-BQBZGAKWSA-N 269.219 0.887 0 50 CCAA Cn1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)n1 236105017 GOHXWMJBMFXTBN-MPKXCIJOSA-N 261.281 0.882 0 50 CCAA O=C1OCC[C@H]2CCN(S(=O)(=O)CCCF)[C@H]12 230112353 DOJXTDAKAOMJDF-BDAKNGLRSA-N 265.306 0.313 0 50 CCAA CCS(=O)(=O)NCC(=O)N1CCc2cc(OC)ccc21 121366985 BZLYRABIJSGXMV-UHFFFAOYSA-N 298.364 0.524 0 50 CCAA O=c1[nH]nc2ccc(S(=O)(=O)N3CCCCC3)cn12 67244918 NIFIGFXJEXUAIH-UHFFFAOYSA-N 282.325 0.197 0 50 CCAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(CCn2ccnc2)C1 328959525 PYPRHELHPOWZHA-MNOVXSKESA-N 262.317 0.463 0 50 CCAA C[C@H](C[S@](C)=O)N(C)C(=O)NC[C@H]1CCCO1 253369898 JOOBMISYARYUPY-YHTYYEMMSA-N 262.375 0.574 0 50 CCAA Cn1nccc1S(=O)(=O)N1CCO[C@H](C2CC2)C1 253430676 NDKJEAGVEKSLHH-JTQLQIEISA-N 271.342 0.220 0 50 CCAA CCNC(=O)[C@@H]1C[C@H](N)CN1Cc1coc(C(C)C)n1 67514409 KFEVIPCJZVSTDM-JQWIXIFHSA-N 280.372 0.836 0 50 CCAA C[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@@H](C)N1 154260312 KNPANKPCMSNBMI-IJLUTSLNSA-N 256.346 0.248 0 50 CCAA Cc1nc(CC(C)C)cc(C(=O)N2CCOC[C@@H](O)C2)n1 77303934 LTRLAZRTEUOUMZ-ZDUSSCGKSA-N 293.367 0.817 0 50 CCAA Cn1cnc2cc(C(=O)NCc3ccon3)ccc2c1=O 215690906 SBUHRFGUDOBFRA-UHFFFAOYSA-N 284.275 0.852 0 50 CCAA CCC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)O)c1 261771301 ITWPBFQONACPEB-UHFFFAOYSA-N 285.321 0.984 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2c(C)noc2C)C[C@H]1O 72456876 UNWBCEWYGDIJBS-ZWNOBZJWSA-N 268.313 0.639 0 50 CCAA Cc1cc(CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)nn1C 77439612 ZANOOAILMRIQEZ-NSHDSACASA-N 278.356 0.602 0 50 CCAA CCOC1(C)CN(C(=O)c2cc(OC)n(C)n2)C1 452277128 NLXZVJPNJVEDIR-UHFFFAOYSA-N 253.302 0.680 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@@H]2CCOC[C@H]2O)c1C 219617383 QEFAPHIXGJMTBS-VXGBXAGGSA-N 267.329 0.225 0 50 CCAA CCn1cc(CN(C(=O)[C@H]2CNCCO2)C(C)C)cn1 71763142 AMFJETFDXFEDLT-CYBMUJFWSA-N 280.372 0.628 0 50 CCAA C[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C1CC1 241371272 MLYMXTPLCOQXNV-MVWJERBFSA-N 276.336 0.852 0 50 CCAA CS(=O)(=O)OCCOCCOCCOCCN=[N+]=[N-] 196412950 FEQHUCSCQXKLNK-UHFFFAOYSA-N 297.333 0.323 0 50 CCAA CN1CCN(Cc2ccc3c(c2)nnn3C)C[C@H]1CCO 43154245 UAUCPBZBIQQNDF-CYBMUJFWSA-N 289.383 0.467 0 50 CCAA CC(=O)N1CCN(c2cc([C@@H]3CCOC3)nc(N)n2)CC1 426618395 TYWOPPXEOPRQQJ-LLVKDONJSA-N 291.355 0.231 0 50 CCAA COCCn1cncc1CNC(=O)[C@H](N)C(C)C 223876784 RJKUHKWTTBEUPV-LLVKDONJSA-N 254.334 0.129 0 50 CCAA Cc1ccc(OCCNC(=O)[C@H]2C[C@H](O)CN2)cc1 269186022 HCACXSAPQNMSBG-WCQYABFASA-N 264.325 0.213 0 50 CCAA NC(=O)[C@H](CO)Nc1ncnc2cccc(F)c12 91818123 JTCFHKYAANCKPE-QMMMGPOBSA-N 250.233 0.027 0 50 CCAA CN(Cc1ccoc1)C(=O)[C@@H]1CCCN1C(N)=O 336608963 GAEYDLWUNGKOJO-JTQLQIEISA-N 251.286 0.781 0 50 CCAA CC(C)Cc1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)[nH]n1 244787818 QEFAWYCIRBGEMU-LLVKDONJSA-N 292.339 0.885 0 50 CCAA CC1(C)Oc2ccccc2CC12C(=O)NC(=O)NC2=O 524731636 FQSOZVBTFJIWHR-UHFFFAOYSA-N 274.276 0.753 0 50 CCAA biogenic C[C@H](CNC(=O)c1c(F)cncc1F)N1CCOCC1 864233725 LQQHPODAAKEQJG-SECBINFHSA-N 285.294 0.810 0 50 CCAA O=C1Nc2ccc(F)cc2C(=O)N2C[C@H](O)C[C@@H]12 534658787 SLJLHLBTPTUOBI-XCBNKYQSSA-N 250.229 0.353 0 50 CCAA CCNC(=O)[C@@H]1CCN(C(=O)CCCC(=O)O)C1 534584926 DOMUVGRSCQFGNZ-SECBINFHSA-N 256.302 0.226 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N1CCN2C(=O)OC[C@H]2C1 371994988 ZJYXQHALINHQEG-MRVPVSSYSA-N 276.296 0.175 0 50 CCAA O=C(NCc1ccc(-c2ncon2)cc1)[C@H]1CNCCO1 299799804 STGPSMGIVMKGNV-GFCCVEGCSA-N 288.307 0.341 0 50 CCAA COCCCN1CC[C@H](CNC(=O)c2cncn2C)C1 299770834 RJQXZDVXOCDECJ-GFCCVEGCSA-N 280.372 0.508 0 50 CCAA C[C@@H]1Cc2cc(NC(=O)CCNS(C)(=O)=O)ccc2O1 828059988 PQCUPOYTCVDXAC-SECBINFHSA-N 298.364 0.888 0 50 CCAA C[C@H](NC(=O)C(=O)N1CCCCC1)c1nncn1C 822281071 ZSXPLJLZWQAJAS-VIFPVBQESA-N 265.317 0.005 0 50 CCAA Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 584890868 JUJGTNPMAMAPHV-LLVKDONJSA-N 299.396 0.430 0 50 CCAA CC(C)(C)OC(=O)[C@@](C)(O)CNC1COCCOC1 952995690 VJPJOAWNGARHIT-ZDUSSCGKSA-N 275.345 0.084 0 50 CCAA O[C@H]1c2ccccc2C[C@@H]1N1CCN(c2nc[nH]n2)CC1 1875281440 BEIPWXVYCNJSCW-KBPBESRZSA-N 285.351 0.585 0 50 CCAA C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1CN 1875276755 YGIJCUWLTUBSQT-UMSGYPCISA-N 276.384 0.967 0 50 CCAA C=CC(=O)N(C)CC1CCN(CC(=O)NC)CC1 1875366022 UGNNDQOAPWNAHR-UHFFFAOYSA-N 253.346 0.089 0 50 CCAA COC[C@@H](CO)NC(=O)c1ccc(O)c(F)c1F 1875392454 CPDRXGLMZBPGKU-ZCFIWIBFSA-N 261.224 0.408 0 50 CCAA C=CC(=O)N(C)CC(=O)N1C[C@H](C(=O)OC)C2(CCC2)C1 1875366288 ONIQTHQWLBAHEU-LLVKDONJSA-N 294.351 0.433 0 50 CCAA C[C@@H]1COC[C@@](CO)(CNc2ncnc3cnccc23)N1 1875395074 JMUKTWANLHLOFY-YGRLFVJLSA-N 289.339 0.176 0 50 CCAA CO[C@H]1CCCCN(CC(=O)NCc2ccnn2C)C1=O 888076105 ZIYWWXZZJKKYMY-LBPRGKRZSA-N 294.355 0.064 0 50 CCAA COC(=O)c1cnc(N2CCOCC2)nc1C1CC1 38537199 OQSZLDIEOJGDBU-UHFFFAOYSA-N 263.297 0.977 0 50 CCAA in-vitro COC(=O)[C@H]1CCc2nnc(-c3cnn(C)c3)n2C1 601043747 BCFKLVHAVAPOKP-QMMMGPOBSA-N 261.285 0.414 0 50 CCAA COC[C@H]1CN(Cc2nnc(C)n2C)CC(C)(C)O1 408028108 CQDQSPCYJBPUIO-LLVKDONJSA-N 268.361 0.749 0 50 CCAA CC(=O)N1CC(C(=O)N2CCOC[C@@H]2C2CC2)C1 188620642 DAXDAHDEBFHNTL-GFCCVEGCSA-N 252.314 0.102 0 50 CCAA Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)CCCN)cn1 583023409 OEFNXKWBFJDARL-STQMWFEESA-N 297.378 0.188 0 50 CCAA CCOCC[C@H](O)CN1CCN(C[C@H](O)CC)CC1 225530028 QGYFNUCDPODDMJ-KGLIPLIRSA-N 274.405 0.162 0 50 CCAA COC(=O)c1cnc2nc(N3CC(C)(OC)C3)ccn12 585093035 ZBHAOBYPNVYXNJ-UHFFFAOYSA-N 276.296 0.741 0 50 CCAA C[C@H]1CCC[C@H](CNC(=O)c2ccc3c(c2)B(O)OC3)O1 585008953 ZEVHZAPUIOWMIZ-GXFFZTMASA-N 289.140 0.592 0 50 CCAA CCO[C@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1CO 585113765 GSTHHOBDBDXKMN-KGLIPLIRSA-N 278.352 0.870 0 50 CCAA C[C@H]1OCCC[C@H]1C(=O)N1CCN(c2cccnn2)CC1 190953538 ZKGXPIKPGYUZNM-CHWSQXEVSA-N 290.367 0.940 0 50 CCAA O=C(O)CCNC(=O)c1ccnc(-n2ccnc2)c1 740481257 CAPNALLKEJHEOG-UHFFFAOYSA-N 260.253 0.472 0 50 CCAA Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)c(C)o1 193348508 RWTFLXDQTMHSTA-SECBINFHSA-N 273.310 0.992 0 50 CCAA O=C([C@H]1CCCN1)N1CCC([C@@H](O)C(F)(F)F)CC1 195554390 AGQLRGJTNKELIU-NXEZZACHSA-N 280.290 0.900 0 50 CCAA CC(C)(C)n1nnnc1Cn1nnc2c1CCCC2 664139742 HPVUDGJPQRWYLL-UHFFFAOYSA-N 261.333 0.947 0 50 CCAA C[C@H]1CN(C(=O)CN2C[C@H]3CC[C@@H](C2)NC3)C[C@@H](C)O1 1506419297 YWTNGBDESLHFJA-CRWXNKLISA-N 281.400 0.306 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)Nc1cn(C)nc1C 1529110788 OYIZTAIMGIEHEG-JTQLQIEISA-N 284.385 0.925 0 50 CCAA CCCc1cc(C(=O)N2CC[C@@](O)(CC)[C@@H](O)C2)no1 216553491 FVWMWNZSYUPVJA-JSGCOSHPSA-N 282.340 0.975 0 50 CCAA COC(=O)c1scc(C)c1NC(=O)Cn1cnnn1 128660631 DQUZXOGQSRSGDE-UHFFFAOYSA-N 281.297 0.468 0 50 CCAA COc1cccc(OC)c1CC(=O)N1CC[C@H](N)C1 132517713 DZIHYBMTLPJGTF-JTQLQIEISA-N 264.325 0.806 0 50 CCAA CCN1CCN(Cc2noc3c2COCC3)[C@H](C)C1=O 1875271461 YKUDPQYMEZAITB-SNVBAGLBSA-N 279.340 0.800 0 50 CCAA Cn1ncc2c(=O)n(Cc3ncc(Cl)s3)nnc21 358691857 PWTRHZSUDQVBDY-UHFFFAOYSA-N 282.716 0.683 0 50 CCAA COC(=O)C[C@@H](C)CC(=O)Nc1cnc(C(=O)OC)cn1 1615587684 IPLYEZOBXVEJCD-QMMMGPOBSA-N 295.295 0.791 0 50 CCAA CCCn1cc(C(=O)N2CCC([C@H](O)CO)CC2)c(C)n1 1772711863 KUIXJLXZDQDYMZ-CQSZACIVSA-N 295.383 0.807 0 50 CCAA CC(C)N1CCN(C[C@H]2CCC(=O)N(C)C2)CC1 1772813242 VVHORPRBMOTBDR-ZDUSSCGKSA-N 253.390 0.881 0 50 CCAA CCCC[C@H](N)C(=O)N(CCO)Cc1ncc[nH]1 1772702787 DLRLZWPAPXZRID-JTQLQIEISA-N 254.334 0.248 0 50 CCAA Cc1nc(N2CCN(c3ncccn3)CC2)[nH]c(=O)c1C 18149006 SPYGPKDVTQJZGX-UHFFFAOYSA-N 286.339 0.503 0 50 CCAA CC1CCN(CC(=O)N2C[C@@H]3CCOC[C@]3(CO)C2)CC1 1857686372 SPSHNOCHQZPWDF-GOEBONIOSA-N 296.411 0.576 0 50 CCAA CC(C)(c1nnn(CC[C@@H]2CCCO2)n1)S(C)(=O)=O 901740596 DNULSCXBONWMGK-VIFPVBQESA-N 288.373 0.522 0 50 CCAA O=C(O)C1(n2cc(C3CC3)cn2)COCCOC1 1776007018 KVARVOQMKMRLEH-UHFFFAOYSA-N 252.270 0.587 0 50 CCAA COC[C@@](C)(CC(=O)O)NC(=O)c1cc(C)n(C)n1 262080252 DLLYZAVVHRGZIQ-GFCCVEGCSA-N 269.301 0.338 0 50 CCAA C[C@@H]1C(=O)N(C[C@H](O)CC(F)(F)F)C(=O)[C@@H]1C 189385237 VPHIJKVDTOHGHM-DSYKOEDSSA-N 253.220 0.941 0 50 CCAA CC[C@@H](C(=O)O)N1CCN([C@@H](C)c2nc(C)no2)CC1 191432391 VPPLRLPOUKGFBM-ONGXEEELSA-N 282.344 0.920 0 50 CCAA Cn1cc(N2CC[C@H](NC(=O)/C=C/c3cn[nH]c3)C2)cn1 2325762899 XIMCJJSVEHZASY-JDGPPOGSSA-N 286.339 0.552 0 50 CCAA CC(C)(C)c1ncc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)[nH]1 2325779023 BLVZSIAJDUKCMQ-MRVPVSSYSA-N 283.353 0.748 0 50 CCAA CS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccnc2)C1 219473 VZXMVGWKAOZINP-LBPRGKRZSA-N 297.380 0.369 0 50 CCAA NC[C@](O)(CS(=O)(=O)O)c1ccc(Cl)cc1 2170222 WBSMZVIMANOCNX-VIFPVBQESA-N 265.718 0.374 0 50 CCAA in-vitro C[C@H](O)CNC(=O)C(=O)N[C@H](C)c1ccccc1 2993724 WZGQTPFRKYIKJX-VHSXEESVSA-N 250.298 0.361 0 50 CCAA CN(C)c1nc(=NCc2nc3ccccc3n2C)[nH][nH]1 346652168 CCVWNWHXKVLTSU-UHFFFAOYSA-N 271.328 0.791 0 50 CCAA COC(=O)c1ccc(CN2CCN(C)[C@H](CCO)C2)cc1 104328282 LXSBCRVLWWPZGJ-OAHLLOKOSA-N 292.379 0.972 0 50 CCAA CC[C@@H]1C(=O)N(CC)CCN1C(=O)Cn1ccccc1=O 331179320 QYNAMOPXKQEWKT-GFCCVEGCSA-N 291.351 0.318 0 50 CCAA CCN(Cc1cn(C)nn1)C(=O)[C@](C)(OC)C1CC1 331584817 AORKENFYPSZSHN-CYBMUJFWSA-N 266.345 0.979 0 50 CCAA O=C1COCCN1CC(=O)N1CCS[C@H]2CCCC[C@H]21 253430619 KGRRXYQSIQCVGI-NEPJUHHUSA-N 298.408 0.732 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)c1ncncc1Cl 238079537 ZHABPQLCSZVXGH-ZETCQYMHSA-N 255.661 0.819 0 50 CCAA CC(C)[C@](C)(CC(=O)O)NC(=O)c1nccnc1N 262797212 AEJUCMNFKOAPSK-LBPRGKRZSA-N 266.301 0.678 0 50 CCAA CC[C@](C)(O)CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 158980032 FFGGSLPUAAKSTL-AWEZNQCLSA-N 277.324 0.757 0 50 CCAA Cc1cc(CNC(=O)N2C[C@@H](C)C[C@@H](C(=O)O)C2)n(C)n1 263363122 SLBDBJHSKCLGDO-GXSJLCMTSA-N 294.355 0.981 0 50 CCAA CN(CC1(CO)CC1)c1cc(C2CC(N)C2)nc(N)n1 223147215 MYDQZPREIOLCQF-UHFFFAOYSA-N 277.372 0.472 0 50 CCAA Cn1cnnc1SCC(=O)NCCc1csc(N)n1 223056258 CGMWXKNQRPECBI-UHFFFAOYSA-N 298.397 0.305 0 50 CCAA CCN1CCc2ncnc(N(C)C[C@H](C)O)c2C1 225216793 QMVKZXIHEQKJNV-JTQLQIEISA-N 250.346 0.672 0 50 CCAA Cc1cnc([C@H](C)NC(=O)CN2CCN(C)C2=O)[nH]1 426662440 PBJSNGJUAWWCNS-VIFPVBQESA-N 265.317 0.263 0 50 CCAA CC(C)(C)[C@H](N)C(=O)N1CCC[C@H](CC(N)=O)C1 163791861 VDEQWVJNSYUTKV-MWLCHTKSSA-N 255.362 0.474 0 50 CCAA CCCN1CCC[C@@]2(CCN(C(=O)c3ncn[nH]3)C2)C1=O 91574886 OTURBURNRHURJN-AWEZNQCLSA-N 291.355 0.669 0 50 CCAA C[C@@]1(C(=O)N2CCC[C@@H](Cn3cncn3)C2)CCNC1 237548501 QCXCURUMPZDKTI-TZMCWYRMSA-N 277.372 0.516 0 50 CCAA Cc1cnc(N(C)CC2CCN(CCO)CC2)nc1 95370590 OORYESIZRQZOJP-UHFFFAOYSA-N 264.373 0.926 0 50 CCAA C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239090957 HNBWDTVDZIXTAL-BDPPMVHVSA-N 261.277 0.513 0 50 CCAA Cc1noc([C@@H](C)N(C)Cc2c[nH]nc2C(=O)O)n1 97743385 WPYUFKZRCZDRJQ-ZCFIWIBFSA-N 265.273 0.992 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@H](O)C1 95372903 POQMGTQAWIJPDR-JTQLQIEISA-N 264.329 0.448 0 50 CCAA COCCN1C[C@H](Cc2nc(OC)cc(OC)n2)CC1=O 244894015 YYKYEVZTCHLGMU-SNVBAGLBSA-N 295.339 0.531 0 50 CCAA O=C1C[C@H](N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)[C@H]2CO[C@H]1O2 245236908 WPWKPJTVPOJIJC-YXPWFVJLSA-N 277.276 0.021 0 50 CCAA O=C1C[C@H](N2C(=O)[C@H]3CC=CC[C@H]3C2=O)[C@H]2CO[C@H]1O2 245236905 WPWKPJTVPOJIJC-LCRQACSWSA-N 277.276 0.021 0 50 CCAA CC(C)OC1CC(N[C@H]2COC[C@H]2n2ccnn2)C1 299743984 NBMLMJSHKDTNDW-IFWUJCSASA-N 266.345 0.764 0 50 CCAA COC(=O)c1cn(N2CCCCC2)cc2c(O)nnc1-2 524735283 NWAGCRDYPMNLOQ-UHFFFAOYSA-N 276.296 0.997 0 50 CCAA CN1CCN(C2(CNC(=O)c3cn[nH]c3)CCCC2)CC1 534676252 KTQASLVGPIFQDG-UHFFFAOYSA-N 291.399 0.700 0 50 CCAA CC1(C)SC[C@@H](C(=O)NCc2cccnc2N)NC1=O 534663418 BFUPLMIZSBFCLG-VIFPVBQESA-N 294.380 0.290 0 50 CCAA Cc1nccn1CC(=O)N1CCC2(CCC(=O)N2C)CC1 299758566 KIPBBGKHXZSNDR-UHFFFAOYSA-N 290.367 0.805 0 50 CCAA COCCCn1cnnc1CNC(=O)c1cnc(N)s1 824396890 PCYVLYFBSGRUFZ-UHFFFAOYSA-N 296.356 0.283 0 50 CCAA NC(=O)Cc1nc(C2(N3CCCC3)CCCC2)n[nH]1 826842567 ZKMURBZERKRJHD-UHFFFAOYSA-N 263.345 0.698 0 50 CCAA CC[C@H]1NC(=O)[C@H](COCc2ccccc2)NC1=O 823470535 YZPYPOMTJFHZSO-NEPJUHHUSA-N 262.309 0.596 0 50 CCAA CC1(C)CCN(C(=O)C2(CS(C)(=O)=O)COC2)CC1 1548638014 BCRRVXVXPFACAP-UHFFFAOYSA-N 289.397 0.696 0 50 CCAA O=C(COCC1CC1)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875402463 HLOORIRMJSBGMF-MGPQQGTHSA-N 293.367 0.565 0 50 CCAA CCNc1ncc(C(=O)N2C[C@@H](N)[C@H](N)C2)cc1Cl 1875276773 ZDPOXUDHJXJWLH-NXEZZACHSA-N 283.763 0.277 0 50 CCAA O=C([C@H]1CC12CC2)N1CCCC[C@@H]1Cc1nn[nH]n1 1875285831 BITVZGDRNQZMDR-NXEZZACHSA-N 261.329 0.923 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCN(C)C)n[nH]c21 1875392736 RBWOUHMRDRNKNP-BDAKNGLRSA-N 266.345 0.723 0 50 CCAA COCCN(C(=O)/C=C/CN(C)C)[C@H]1CCO[C@H]1C 1875375520 GOJVQULIKCEIJW-AAAGKOELSA-N 270.373 0.757 0 50 CCAA CN(C)C1CN(C(=O)[C@@H]2CCCO[C@H]2c2ncc[nH]2)C1 886074721 QWWRYXMXUQRPFG-VXGBXAGGSA-N 278.356 0.650 0 50 CCAA Cc1ncncc1C(=O)N[C@@]1(c2ncc[nH]2)CCOC1 886095428 WCNKMAZMCYQHSA-ZDUSSCGKSA-N 273.296 0.554 0 50 CCAA CN1CC[C@](N)(c2nc(CC3CCOCC3)no2)C1 888078094 OFQPBUQLWVHHAW-CYBMUJFWSA-N 266.345 0.528 0 50 CCAA O=S(=O)(N[C@H]1CC[C@H](CO)CC1)c1cccnc1 245709145 ZBYFWUIIHDXCGL-XYPYZODXSA-N 270.354 0.911 0 50 CCAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC1CSCCSC1 1565515418 XKCWSIRGBBQEDO-UWVGGRQHSA-N 297.467 0.237 0 50 CCAA Cc1cc2c(N3CC(NC(=O)[C@H]4C[C@H]4C)C3)nccn2n1 1363939693 GPPICJSPWKJARX-SKDRFNHKSA-N 285.351 0.999 0 50 CCAA CCCCNC(=O)[C@@H](C)N1CCC(=O)N(C)CC1 585094429 AOIICOMSXPRXOR-LLVKDONJSA-N 255.362 0.455 0 50 CCAA C[C@H]1CN([C@@H]2CCC(=O)NC2=O)CCN1CC(F)(F)F 170598222 GOHMJIBGZHGODS-DTWKUNHWSA-N 293.289 0.360 0 50 CCAA CCCn1ncnc1Cn1cnc2c(N(C)C)ncnc21 279093154 NVJFEVLGURQODP-UHFFFAOYSA-N 286.343 0.942 0 50 CCAA CC[C@H]1CN(c2ncc(S(N)(=O)=O)s2)CCO1 170639464 KHNQJNZUVSKOIZ-ZETCQYMHSA-N 277.371 0.406 0 50 CCAA CNc1nc(C)cc(C(=O)NC[C@H]2CCCO2)n1 280870368 YHYMVMCZJZTACW-SECBINFHSA-N 250.302 0.736 0 50 CCAA O=C(CCc1nn[nH]n1)N1CCCc2occc2C1 633121529 PSUWQYYCGWQIIJ-UHFFFAOYSA-N 261.285 0.700 0 50 CCAA COC[C@H]1[C@H](NC(=O)CCCn2cccn2)[C@H]2CCO[C@H]21 1074616511 KRCSEOJEJUPVRD-AYRXBEOTSA-N 293.367 0.829 0 50 CCAA CN(C)c1ccnc(C(=O)N2CCS(=O)(=O)CC2)c1 408058392 BDGRXAZNEPPIBH-UHFFFAOYSA-N 283.353 0.018 0 50 CCAA O=C(O)CN(C(=O)c1cc(-n2cccn2)ccn1)C1CC1 190726357 RNJVESAHROJRRM-UHFFFAOYSA-N 286.291 0.957 0 50 CCAA CO[C@@H]1COCC[C@H]1CN1C(=O)NC2(CCCC2)C1=O 569823655 LFAVBCUHBVVLCB-WDEREUQCSA-N 282.340 0.903 0 50 CCAA CNC(=O)Cc1cnc(NC(=O)c2nccn2C)s1 1875247254 HPCZWQCDFYCXIN-UHFFFAOYSA-N 279.325 0.417 0 50 CCAA C[C@]1(O)CCN(C(=O)CN)C[C@H]1Cc1ccccc1 215366735 WQXBRPYPUUQEAM-HIFRSBDPSA-N 262.353 0.787 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)CCc1cccnc1)C2 1704313072 MMIKIAMEXSFNSO-GJZGRUSLSA-N 289.379 0.803 0 50 CCAA COCC[C@H](C)S(=O)(=O)N1CCC[C@H](C(=O)O)C1 262454936 RLPYUJTYPCCYPZ-UWVGGRQHSA-N 279.358 0.538 0 50 CCAA COCC1(C(=O)N2CCC[C@H](C(N)=O)C2)CCOCC1 377343446 DMJDYRFCILQRMM-NSHDSACASA-N 284.356 0.154 0 50 CCAA NC(=O)[C@@H]1C[C@@H](O)CN1c1nc2ccccc2s1 585118007 QSGRUGYZPGROJY-APPZFPTMSA-N 263.322 0.721 0 50 CCAA Cc1nc(-c2ccccc2C)n(CC(=O)NCC(=O)O)n1 1615045863 IXICWYPKMLOEAK-UHFFFAOYSA-N 288.307 0.763 0 50 CCAA N[C@]12CC[C@H]1CN(C(=O)c1coc3c1C(=O)NCCC3)C2 1615546139 LVOALXBWRJVSPU-VFZGTOFNSA-N 289.335 0.519 0 50 CCAA Cn1ccc(-c2cc(C(=O)NC3CC4(C3)C[C@H]4N)no2)n1 1615547339 SVQGIGUZYNKASU-YEMQSEFVSA-N 287.323 0.685 0 50 CCAA C[C@]12C[C@@H]1CN(c1cncc(C(=O)N3CCOCC3)n1)C2 1772809428 WMVQMHJUADSULM-IAQYHMDHSA-N 288.351 0.795 0 50 CCAA CCS(=O)(=O)CCNc1ncc(C(C)=O)c(C)n1 1772705294 YFWCZJXNRCFRAL-UHFFFAOYSA-N 271.342 0.834 0 50 CCAA Cc1c(NC(=N)NC(=N)N)c(=O)n(-c2ccccc2)n1C 5378095 RPMXXZKAIXPAJI-UHFFFAOYSA-N 287.327 0.314 0 50 CCAA Cc1ccc(N2C(=O)C[C@H](N3CCN(C)CC3)C2=O)cc1 19210593 CLFCGIPJOJEPFL-AWEZNQCLSA-N 287.363 0.874 0 50 CCAA COCCN1C[C@H](c2nc(C(=O)OC)c(C)[nH]2)CC1=O 19787380 KHNUNDMGMCHECT-SECBINFHSA-N 281.312 0.467 0 50 CCAA CN(Cc1ccc(F)cc1)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1 1857730516 VEYCWEOUHVUYTM-DRZSPHRISA-N 266.316 0.882 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(CCc2ccncc2)C1 643803538 BUZGBKNCBRIHNT-AWEZNQCLSA-N 263.341 0.326 0 50 CCAA COc1cc(F)ccc1N1CCN(C(=O)C2(N)CC2)CC1 237182895 CLSHFIXTJKDMQJ-UHFFFAOYSA-N 293.342 0.974 0 50 CCAA Cc1csc([C@H](C)CNC(=O)c2cn(CCN)nn2)n1 659325794 XYFPUSOBEHGVOS-MRVPVSSYSA-N 294.384 0.535 0 50 CCAA C=CC(=O)NCCC(=O)N1CC(C(F)(F)F)C1 829143822 CCXXTGHFXCAJGG-UHFFFAOYSA-N 250.220 0.699 0 50 CCAA Cn1ncc2cc(S(=O)(=O)NC3(C)CC3)cnc21 1116682899 AKYGNOKDBSHBOO-UHFFFAOYSA-N 266.326 0.799 0 50 CCAA Cc1ccccc1C[C@H](C)NC(=O)[C@H]1C[C@@H](O)CN1 225406148 MDDQXSPSXYZJQL-IACUBPJLSA-N 262.353 0.765 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2CN)C[C@@H](C)O1 251649448 JVMNRJRIUKCJLM-UTUOFQBUSA-N 291.417 0.154 0 50 CCAA C[C@H]1CNCCN1C(=O)Cc1cn2ccsc2n1 125968876 HQBVYQZJOXBFSQ-VIFPVBQESA-N 264.354 0.759 0 50 CCAA Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@H](N)C1 237614773 IKCPATNGEKUKCO-JTQLQIEISA-N 282.365 0.572 0 50 CCAA O[C@H](CN1CCC[C@H]1Cn1cccn1)Cn1cccn1 257365346 NOCFNDYHVQQPLM-UONOGXRCSA-N 275.356 0.605 0 50 CCAA Cn1c(CN)nnc1SCC[C@@H]1CCS(=O)(=O)C1 426409533 UNASETUCZQESCE-MRVPVSSYSA-N 290.414 0.191 0 50 CCAA O=C(Cn1cc(F)ccc1=O)NC1CCOCC1 330966903 IATJQKSMMGSIHA-UHFFFAOYSA-N 254.261 0.283 0 50 CCAA COc1nscc1S(=O)(=O)N1CCC[C@@]1(C)CO 722981736 ZIHWEWZWTFJJAQ-JTQLQIEISA-N 292.382 0.687 0 50 CCAA CN=c1[nH]c(C(=O)N[C@@H]2CN3CCC2CC3)cs1 384813890 CUIGRZXSLQVKCG-SECBINFHSA-N 266.370 0.431 0 50 CCAA O=C([C@@H]1CCSC1)N1CCN(c2cn[nH]c2)CC1 2325802045 DMEUQZVMWSATJI-SNVBAGLBSA-N 266.370 0.811 0 50 CCAA CNC1(C(N)=O)CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 2325802147 LLGOCTFVPKJJKD-MNOVXSKESA-N 267.373 0.489 0 50 CCAA O=C(O)CS(=O)(=O)CC(=O)Nc1ccccc1Cl 392077 ZODHOYAGMHGIRD-UHFFFAOYSA-N 291.712 0.778 0 50 CCAA COc1cncnc1NS(=O)(=O)c1ccc(N)cc1 405164 JRTJPPIMKKSPDW-UHFFFAOYSA-N 280.309 0.868 0 50 CCAA CN1CC[C@H](O)[C@H](C(=O)NCc2ccc(F)cc2F)C1 2356138199 HWFHITHZIJKNAY-YPMHNXCESA-N 284.306 0.894 0 50 CCAA O=C(NCC[C@@H](O)[C@@H](O)CO)OCc1ccccc1 3136349 YCUQTHBQUKYBJR-NEPJUHHUSA-N 269.297 0.017 0 50 CCAA COCCCNC(=O)CCC(=O)NCCCOC 4892369 HJAIIYPQNXLAJO-UHFFFAOYSA-N 260.334 0.072 0 50 CCAA COC(=O)[C@H]1CC[C@@H](NC(=O)Nc2ccnc(OC)n2)C1 282653113 MDGCCPKUWHAYPZ-DTWKUNHWSA-N 294.311 0.948 0 50 CCAA Cc1cc(CN(C)c2nccc(N3CC[C@@H](O)C3)n2)no1 1506396441 AQWVUQWJKKAHCH-GFCCVEGCSA-N 289.339 0.980 0 50 CCAA Cc1noc(CN(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)n1 67771376 OWRVZUISGCFGMV-NSHDSACASA-N 294.355 0.841 0 50 CCAA CCC1(CC)CC(=O)N(Cc2nnc3n2CCOC3)C1=O 333283678 PZCKDWRLKKWOFV-UHFFFAOYSA-N 292.339 0.874 0 50 CCAA CC(C)c1ncc(C(=O)N[C@H]2CCC(=O)NC2=O)s1 121851289 IICKQYRTCWGTEK-ZETCQYMHSA-N 281.337 0.802 0 50 CCAA CCN1CCN(C(=O)NCCCn2ccnn2)CC1 182473163 RJNRUPHZCYTTOW-UHFFFAOYSA-N 266.349 0.015 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@@H](N2C(=O)[C@H]3CCCN3C2=O)CC1=O 253432952 QDJVRCMZBRSFDN-LMLFDSFASA-N 277.324 0.422 0 50 CCAA Cn1cncc1C(=O)N1CC2(CCNCC2)C[C@H]1C(=O)O 72153857 KWENBAKITMDVCM-JTQLQIEISA-N 292.339 0.089 0 50 CCAA COCCS(=O)(=O)N1CC[C@@H](Oc2ccncc2)C1 151157088 XILWBKAWPSBTDP-GFCCVEGCSA-N 286.353 0.511 0 50 CCAA COc1cc(CC(=O)N[C@@H]2CNC(=O)C2)ccc1C 330728412 GZMHNKGXBNZQKC-NSHDSACASA-N 262.309 0.551 0 50 CCAA COCCN1CCCN(C(=O)[C@@H]2CC2(C)C)CC1=O 364939189 YAVZGKQUAZBOLR-NSHDSACASA-N 268.357 0.740 0 50 CCAA CCS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](C)C2)cc1 155213502 UFIJZWBSIANEIN-LLVKDONJSA-N 296.392 0.914 0 50 CCAA C[C@@H](C(=O)O)N(C)C(=O)c1ccc(N2CCCC2)nn1 155903841 LZSGSROMJMGNPL-VIFPVBQESA-N 278.312 0.622 0 50 CCAA Cc1c(S(=O)(=O)N[C@H]2CCC[C@H]2CN)cnn1C 261587137 UWAAJZWVBIFAFB-UWVGGRQHSA-N 272.374 0.134 0 50 CCAA COC[C@H]1CCN(Cc2cc3n(n2)CCNC3)C1 72169930 HRJWBEZZPONXKM-NSHDSACASA-N 250.346 0.455 0 50 CCAA CC1=C[C@@H](C)CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 336455749 LWMOLZOCKXCJOI-MWLCHTKSSA-N 272.370 0.781 0 50 CCAA CC[C@@H](NC(=O)c1n[nH]c(N)c1Cl)c1ncnn1C 219338318 IWJQLMXSYUKTCH-RXMQYKEDSA-N 283.723 0.655 0 50 CCAA COc1cc(CCC(=O)N[C@@H](C(=O)O)C(C)C)on1 223216011 AEANEXYMZAEZAL-LLVKDONJSA-N 270.285 0.841 0 50 CCAA CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cccc[n+]1[O-] 162263436 QLIDMBJFKYLASC-SNVBAGLBSA-N 266.297 0.732 0 50 CCAA O=C(c1ccc2nccn2c1)N1CCC[C@@H](OCCO)C1 178660755 AIFGLIMIERRNGK-CYBMUJFWSA-N 289.335 0.948 0 50 CCAA C[C@H](C(=O)NCc1cccc(-c2nn[nH]n2)c1)n1cccn1 426361368 SHZNGZWLKXBCML-SNVBAGLBSA-N 297.322 0.941 0 50 CCAA CC(=O)N1CCC[C@@H](CNC(=O)c2ccncc2O)C1 222221347 SBQMOIRZCWKXIU-NSHDSACASA-N 277.324 0.776 0 50 CCAA CN(C)C(=O)NCC(=O)NC1(CC(=O)O)CCCCC1 426510327 YXFCKHKJBDOAQA-UHFFFAOYSA-N 285.344 0.551 0 50 CCAA COCCN(CC(=O)O)C(=O)c1ccc(O)cc1C 232365036 UHCLADMYJABHHG-UHFFFAOYSA-N 267.281 0.874 0 50 CCAA CSCC[C@H](NC(=O)c1n[nH]cc1Cl)C(=O)O 426523471 MYMONNLMXVYHAN-LURJTMIESA-N 277.733 0.999 0 50 CCAA CN1CCC(C)(C(=O)NCCc2nccn2C)CC1 426518432 XYZCBOYCFBYWDH-UHFFFAOYSA-N 264.373 0.811 0 50 CCAA O=C(Cn1ncn2cccc2c1=O)N1CCSCC1 95526866 SYVQUBUDTQTAJS-UHFFFAOYSA-N 278.337 0.071 0 50 CCAA CN(C)CCN1C[C@@H](C(=O)N(C)Cc2ccon2)CC1=O 95380912 ZEFNSNNEDGKTDG-NSHDSACASA-N 294.355 0.043 0 50 CCAA Cc1c(-c2ccccc2)n[nH]c1C(=O)NCc1nnn[nH]1 97572159 YKOFTDZQOKIGGV-UHFFFAOYSA-N 283.295 0.828 0 50 CCAA OC[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2cnc[nH]2)C1 91847013 BBTYWSXIXNXSIP-ZIAGYGMSSA-N 294.399 0.172 0 50 CCAA c1cc(-c2nnc([C@H]3CCOC3)[nH]2)nc(-n2cnnc2)c1 97831174 JKRCEGLPEJWHFM-VIFPVBQESA-N 283.295 0.951 0 50 CCAA CCc1nn(C)cc1C(=O)N1CCO[C@H](CF)C1 622700590 QTCQJGAOOHWDHL-SECBINFHSA-N 255.293 0.793 0 50 CCAA Cc1c(C(=O)N(CCN(C)C)CC(=O)O)ccn1C 534673746 IINHGXQJMYVOGG-UHFFFAOYSA-N 267.329 0.422 0 50 CCAA COc1cc(C(=O)NC[C@H]2CN(C(C)=O)CCO2)ccn1 534647258 JGMRJYWKMCZGIL-LBPRGKRZSA-N 293.323 0.067 0 50 CCAA Cn1ccnc1CCNC(=O)CN1C[C@@H]2CC[C@H]1C2 534643002 WFLKAWHSRHAMDP-NEPJUHHUSA-N 262.357 0.563 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCOC2(CCCCC2)C1 363280123 IRRRAEQLZLJCLO-UHFFFAOYSA-N 289.397 0.983 0 50 CCAA C[C@@H](CO)CN1CCC(CNC(=O)c2ccon2)CC1 828777863 GFPQHZIAOQZKDN-LLVKDONJSA-N 281.356 0.745 0 50 CCAA CC(C)CC(=O)N1CCN(C(=O)c2cncnc2)CC1 584897232 JIEDDCONUOHOLJ-UHFFFAOYSA-N 276.340 0.807 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)NCC(C)(C)N1CCCC1 584900086 ANMDQVLGDZEXHR-GFCCVEGCSA-N 291.461 0.778 0 50 CCAA CC(C)(C)OC(=O)N1CC(N2C[C@@H](C(=O)O)CC2=O)C1 675050640 FMFLQJBRNIPTJY-QMMMGPOBSA-N 284.312 0.539 0 50 CCAA CC(C)(C)OC(=O)N1CC(N2C[C@H](C(=O)O)CC2=O)C1 675050636 FMFLQJBRNIPTJY-MRVPVSSYSA-N 284.312 0.539 0 50 CCAA COCCN1CCN(c2ncc(C)c(C)n2)CC1=O 271076960 SCEGZQSFKZZREC-UHFFFAOYSA-N 264.329 0.388 0 50 CCAA CO[C@H]1CN(CCC(=O)NCc2cccs2)C[C@@H]1O 670470637 QQJOKQCLACCYQG-RYUDHWBXSA-N 284.381 0.446 0 50 CCAA Cc1cccc(CCNC(=O)C[C@H]2CC(=O)NC2=O)c1 685942312 LOPVWUOSSSEPPQ-LBPRGKRZSA-N 274.320 0.707 0 50 CCAA Cc1n[nH]cc1C(=O)N(C)C[C@H]1OCC[C@H]1c1nc[nH]n1 952889309 YCNKNVRJUOOCHV-MWLCHTKSSA-N 290.327 0.481 0 50 CCAA O=S(=O)(CC1CC2(CC2)C1)NC[C@@H]1COCCO1 1875289904 XEQJTKGYTFTKML-LLVKDONJSA-N 275.370 0.511 0 50 CCAA Cc1nc(CN2CCN(C)C(=O)[C@@H]2C)n(C)c1C 952982006 KWZVBLWUOIOGDC-NSHDSACASA-N 250.346 0.699 0 50 CCAA CN(CC[C@@H]1CCCCO1)S(=O)(=O)c1cn[nH]c1 952872819 DFXGXYNTUVACJK-JTQLQIEISA-N 273.358 0.989 0 50 CCAA C=CC(=O)N1C[C@H](C)c2ccc(S(N)(=O)=O)cc21 1776004993 WIOFBNIBRNBUNY-QMMMGPOBSA-N 266.322 0.970 0 50 CCAA Cn1ncc(C(=O)N2CCO[C@]3(CCOC3)C2)c1C1CC1 274491400 STXPLYUOHNNNHD-OAHLLOKOSA-N 291.351 0.929 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1nnc[nH]1 277022332 BOQKSCGAOUVPMU-ZJUUUORDSA-N 252.318 0.968 0 50 CCAA CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)CCc1nn[nH]n1 631674379 IYXORVBJQQBFOZ-NEPJUHHUSA-N 292.387 0.608 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1C[C@H](C)N(C)C[C@@H]1C 585135442 KBCWJERAMPPBMS-RYUDHWBXSA-N 267.373 0.572 0 50 CCAA CC(C)[C@@H](CNC(=O)C(=O)NCC1CC1)c1ccnn1C 682685293 PUARHRBSOYIJCM-GFCCVEGCSA-N 292.383 0.802 0 50 CCAA CO[C@@H]1CN[C@@H](C(=O)NCc2cccnc2N(C)C)C1 187908175 MSHHDMHPWDBFTM-NWDGAFQWSA-N 278.356 0.141 0 50 CCAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1cnnn1 188691116 MNRLLTIZKPYYQD-KOLCDFICSA-N 267.333 0.241 0 50 CCAA O=C(Nc1[nH]nnc1C(=O)N1CCCC1)N1CC=CC1 640266350 QLEYDBHEHAFUOQ-UHFFFAOYSA-N 276.300 0.444 0 50 CCAA C[C@@H](C(=O)N1CCOC[C@H]1C(=O)O)N1CCCCCC1 663025606 BLADNUZVZMHHFX-RYUDHWBXSA-N 284.356 0.563 0 50 CCAA C[C@H](CN(C)c1nccnc1N(C)C)N1CCOCC1 1506398809 FVOJLPHIAZFLPV-GFCCVEGCSA-N 279.388 0.700 0 50 CCAA CCn1ncc(NC(=O)CNC(=O)C(C)C)c1C 1529169343 WNSLITUBOYFUQE-UHFFFAOYSA-N 252.318 0.922 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1cc(C)ncn1 643822627 YNJGVCRSQPWPJQ-CYBMUJFWSA-N 264.329 0.251 0 50 CCAA Cc1cnn(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1 1615554828 MQVYMVLAYMULAB-UKRRQHHQSA-N 270.336 0.932 0 50 CCAA CN(CC(=O)O)C(=O)c1cc(-c2ccncc2)on1 153141174 CYVGYADQICQQBN-UHFFFAOYSA-N 261.237 0.893 0 50 CCAA CCNc1ccnc(N2C[C@@H]3COCC[C@]3(C(=O)O)C2)n1 1772707141 KOGYBVSQERKCCZ-YGRLFVJLSA-N 292.339 0.836 0 50 CCAA Cc1cc(C)n(CCC(=O)N2CC3(CNC(=O)N3C)C2)n1 1857679618 OFZTVJARYNQRLI-UHFFFAOYSA-N 291.355 0.126 0 50 CCAA OC[C@H]1CCN(Cc2nn[nH]c2-c2ccccc2)C[C@H]1O 1857736118 LIRHCCAHEYQNHF-TZMCWYRMSA-N 288.351 0.647 0 50 CCAA N[C@H]1CC[C@H](C(=O)NCCc2ccc(F)cc2)C[C@@H]1O 1857736977 SLXKHSPKVBFCOI-UBHSHLNASA-N 280.343 0.973 0 50 CCAA Cc1nc(N2CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C2)no1 1875249475 VJQQSQZBYXVSNO-ZWNOBZJWSA-N 281.312 0.820 0 50 CCAA CC1(C)[C@H](N)C[C@H]1NC(=O)c1ccc(-n2cnnn2)cc1 398346657 PVYNREAUEVNQBG-VXGBXAGGSA-N 286.339 0.518 0 50 CCAA CCc1c(CN(C)C[C@@H]2CNCCO2)cnn1C 1875278939 ZOLNHSVDUBQLQJ-LBPRGKRZSA-N 252.362 0.403 0 50 CCAA CC[C@@H](O)[C@@H](C)C(=O)N1CCC(c2nnc(O)o2)CC1 822566686 JYKQXCFHSNXASJ-PSASIEDQSA-N 283.328 0.888 0 50 CCAA O=C(N[C@H]1COC[C@@H]1O)c1cccc2c1NCCC2 323472560 YJARMIPEULTUJX-RYUDHWBXSA-N 262.309 0.534 0 50 CCAA O=C1C[C@@H](COC(=O)[C@@]23CCCC(=O)N2CCC3)CCN1 2325807892 CMTJVKSHTDUUNI-NHYWBVRUSA-N 294.351 0.601 0 50 CCAA CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@@H]1OC(C)=O 57063 LLPWGHLVUPBSLP-UTUOFQBUSA-N 272.253 0.325 0 50 CCAA biogenic,in-vitro FC(F)(F)c1nnc2ccc(N3CCOCC3)nn12 64000 KQCWRNBMVRJYRU-UHFFFAOYSA-N 273.218 0.980 0 50 CCAA Cc1ccccc1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O 70167 FIGKNPHIHQQHQM-UHFFFAOYSA-N 275.264 0.389 0 50 CCAA CNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 80183 NYLLOBTUGIORSQ-VIFPVBQESA-N 256.327 0.587 0 50 CCAA COC(=O)C(=O)c1nc(N)sc1Br 8698471 IVRWHXFNQUHDPQ-UHFFFAOYSA-N 265.088 0.844 0 50 CCAA COc1cccc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1 9317866 RKKHKCXYWWGKQE-VIFPVBQESA-N 286.291 0.835 0 50 CCAA CCOC(=O)C1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 100025667 SFFQYGDIFWFUAF-QWRGUYRKSA-N 273.288 0.981 0 50 CCAA CC[C@H](CNC(=O)Nc1ncn(CC)n1)N1CCOCC1 63868558 ARZPNELBEFYNCM-LLVKDONJSA-N 296.375 0.530 0 50 CCAA Nc1cccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)c1 23128315 KNEXMIWFQQWJNM-NSHDSACASA-N 284.337 0.897 0 50 CCAA COc1ccnc(N2CCN([C@@H]3CN(C)C[C@H]3C)CC2)n1 252485831 AWFVNQWEHNYLOI-CHWSQXEVSA-N 291.399 0.557 0 50 CCAA O=C(N=c1cc2n([nH]1)CCCC2)[C@@H]1CCc2nncn2C1 329107544 PDYIYOBIPFSLMR-SNVBAGLBSA-N 286.339 0.434 0 50 CCAA Cc1cnc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c(O)c1 331190073 JWOKILMEIRNXJZ-DYBLOJMWSA-N 270.354 0.935 0 50 CCAA CC(C)n1ncc2cc(S(=O)(=O)NCC(=O)O)ccc21 261710777 PQCDWOXZABNCFP-UHFFFAOYSA-N 297.336 0.980 0 50 CCAA O=C(NC1(c2nc[nH]n2)CCC1)c1csnn1 333482139 SLMFXZKLALHZIL-UHFFFAOYSA-N 250.287 0.465 0 50 CCAA Cc1cccc(OC[C@H](O)CN2C(=O)CCC2=O)c1 32192619 MXPWPNWUDOHCPM-LLVKDONJSA-N 263.293 0.884 0 50 CCAA COC[C@H]1CN(C(=O)Cc2cc(C)[nH]n2)CC(C)(C)O1 285483356 LTJMVADUNUPKHJ-GFCCVEGCSA-N 281.356 0.913 0 50 CCAA CN1CCN(C(=O)c2cc(Cl)ccc2O)C[C@@H]1CO 215886376 HSHJDGPFPWFCBI-SNVBAGLBSA-N 284.743 0.794 0 50 CCAA Cc1cnc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cn1 131318111 HZWSJYCKXUKMJG-ZYHUDNBSSA-N 274.324 0.668 0 50 CCAA CCO[C@H]1CN(C(=O)COc2cccnc2)C[C@@H]1O 222578795 OMTJCTGYUDSWRK-RYUDHWBXSA-N 266.297 0.069 0 50 CCAA COCCn1cnnc1CNC(=O)c1ncc(F)cc1F 223481887 HMERZGGQXFZICM-UHFFFAOYSA-N 297.265 0.528 0 50 CCAA CCc1noc([C@H](C)NC(=O)c2cnc(OC)nc2)n1 426382870 CZIKITWHCJUWRP-ZETCQYMHSA-N 277.284 0.922 0 50 CCAA CCc1csc(CNC(=O)[C@H]2CCS(=O)(=O)C2)n1 426582739 DHOIMSKKJOLKMW-QMMMGPOBSA-N 288.394 0.756 0 50 CCAA CC(C)c1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)nn1C 236600751 LMDRWNUEUDFDMR-JTQLQIEISA-N 295.339 0.859 0 50 CCAA CCN1C[C@H](C(=O)NCCc2nc(C)cc(C)n2)CC1=O 91726000 KMGHAVJYNMNMIF-GFCCVEGCSA-N 290.367 0.621 0 50 CCAA Cc1nc(C)c2c(n1)O[C@@H](CN1C(=O)CCNC1=O)C2 95513038 UDQXXTVKLAFGQK-SECBINFHSA-N 276.296 0.339 0 50 CCAA Cc1cnn(CCCn2ncc(N(C)C)cc2=O)c1 95391608 GKQDPEQIVKLBMC-UHFFFAOYSA-N 261.329 0.905 0 50 CCAA CN(Cc1cn[nH]c1C(=O)O)[C@@H]1CCCC[C@@H]1O 97813587 MXTAEBAKWYLQNC-ZJUUUORDSA-N 253.302 0.843 0 50 CCAA C[C@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)C(N)=O 95357505 MEAOADIIHDULFS-ZETCQYMHSA-N 263.272 0.631 0 50 CCAA CCOC[C@H]1CN(C(=O)NC[C@H]2CCCO2)CCO1 624149721 UJELARFWLKUSLQ-VXGBXAGGSA-N 272.345 0.612 0 50 CCAA Cn1cc([C@@H](NC(=O)CN2CCCC2)[C@H]2C[C@@H](O)C2)cn1 244690953 JABCGJGBAQVCBA-LNSITVRQSA-N 292.383 0.444 0 50 CCAA CCn1cc(O[C@@H]2CN(C[C@@H](O)C(C)C)C[C@H]2O)cn1 625612753 HEQFKQHWMZNDQH-MGPQQGTHSA-N 283.372 0.344 0 50 CCAA Cc1nnc(SCCNC(=O)[C@@H]2C=CCN2)s1 534574551 QMLPVDUAHDGABY-QMMMGPOBSA-N 270.383 0.583 0 50 CCAA O=C(NCC1(N2CCOCC2)CCCCC1)[C@H]1C=CCN1 534646731 GWNMTEBXDNZQBK-CQSZACIVSA-N 293.411 0.666 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(Cc3cccc4nonc34)C[C@H]21 534668512 NRWCCSQTGOVINX-JZYVYDRUSA-N 259.265 0.985 0 50 CCAA CC(C)n1nccc1S(=O)(=O)N1CC[C@H]2CNC[C@H]21 534589543 FFDMZSBAUCMAPT-WDEREUQCSA-N 284.385 0.446 0 50 CCAA CC(C)CCCC(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1 534659030 AFKZPAHDWMGGHN-GJZGRUSLSA-N 297.443 0.944 0 50 CCAA COCC1(C(=O)N(C)Cc2nncn2C)CCC1 290415689 JJGXXTBGDWSAET-UHFFFAOYSA-N 252.318 0.590 0 50 CCAA CCNC(=O)N1CCC(NC(=O)[C@]2(C)CC(C)=NO2)CC1 584890880 XJGREFYFAYBWMR-AWEZNQCLSA-N 296.371 0.851 0 50 CCAA COC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 68592132 NSDYBCCGNZVZSZ-UHFFFAOYSA-N 282.300 0.857 0 50 CCAA in-vitro Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 16602725 SPRDYDQVAHTDLQ-UHFFFAOYSA-N 282.365 0.712 0 50 CCAA O=C(O)[C@@]1(N2CCN(Cc3cccnc3)CC2)CCOC1 886071917 PRMMXKRLAYDQBE-OAHLLOKOSA-N 291.351 0.443 0 50 CCAA Cc1cc(N2CCN([C@]3(C(=O)O)CCOC3)CC2)ccn1 886095299 RBWDMACITDDTQM-OAHLLOKOSA-N 291.351 0.756 0 50 CCAA CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCN(C(C)C)C1=O 246752405 ZXWCDKQOGPBJBW-GARJFASQSA-N 255.362 0.485 0 50 CCAA COc1cc(F)ccc1N1CCN(C(=O)[C@H](C)N)CC1 169019999 ABCNFFCWSOPZSP-JTQLQIEISA-N 281.331 0.830 0 50 CCAA Cc1nc(-c2ccncc2)nc(N2C[C@H](O)[C@@H](O)C2)c1C 277552114 XSPDTBILUOCXNV-STQMWFEESA-N 286.335 0.697 0 50 CCAA CC(C)[C@H]1CN(C(=O)c2cccn(C)c2=O)C[C@@H]1C(=O)O 1073327068 WPKGOEOEBNUEAW-NEPJUHHUSA-N 292.335 0.814 0 50 CCAA O[C@@]1(Cn2ccnn2)CCN(c2ncc(Cl)cn2)C1 671466345 LBEHNLGPMXYUBW-NSHDSACASA-N 280.719 0.363 0 50 CCAA Cc1ncc2c(n1)CC[C@H](NC(=O)[C@H]1NCCO[C@@H]1C)C2 582182011 JLHSOMDZVUXOSX-LQJRIPTKSA-N 290.367 0.135 0 50 CCAA CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC1CC(OC)C1 656857751 QZQVFOCBFVVKLW-WKQXJPDBSA-N 292.383 0.990 0 50 CCAA CCNS(=O)(=O)[C@@H]1CCN([C@H](CC(C)C)C(=O)O)C1 577118257 WEPWHAAIBYBBLZ-GHMZBOCLSA-N 292.401 0.499 0 50 CCAA CCc1c(C)noc1NC(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 1506425700 FXYYZFYQNFFSNK-SECBINFHSA-N 294.311 0.766 0 50 CCAA CC(C)[C@H]1CN(C)CCN1C(=O)c1cnnn1C 407955642 HPFPFADZZCXCME-LLVKDONJSA-N 251.334 0.227 0 50 CCAA COc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)O)nn1 124096030 MTRLETCYKRAUBI-SNVBAGLBSA-N 265.313 0.861 0 50 CCAA Nc1ncc(Cl)cc1S(=O)(=O)N[C@@H]1CCCNC1 238056930 HBFDLXVUKJFDJR-MRVPVSSYSA-N 290.776 0.348 0 50 CCAA C=CS(=O)(=O)CCN1CCNC(=O)[C@H]1c1ccccc1 1615553513 SDSPTICHOLFKKF-CYBMUJFWSA-N 294.376 0.718 0 50 CCAA Cc1nsnc1C(=O)NC[C@@H]1Cc2nnc(C)n2C1 1775982363 UDLXBFUKUCJCOL-QMMMGPOBSA-N 278.341 0.349 0 50 CCAA CN(C)CC(=O)NCCc1nc(C(=O)O)cs1 167816724 LDCVCYOEFBFADG-UHFFFAOYSA-N 257.315 0.062 0 50 CCAA Cc1cc(O)nc(C(=O)N[C@H]2C[C@@H](O)C2(C)C)c1 408053646 ILEWUBCVCBXZQX-VHSXEESVSA-N 250.298 0.985 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)CCC2CCOCC2)C1 644002859 VKXWYWUQZLJKNM-OAHLLOKOSA-N 298.383 0.422 0 50 CCAA CC(=O)N1CCOC[C@@H]1C(=O)NC1Cc2ccccc2C1 336439500 HRBLIVGHEJLLFD-OAHLLOKOSA-N 288.347 0.517 0 50 CCAA O=C(N[C@@H]1CCCn2ncnc21)c1cc2n(n1)CCC2 582361795 MPZMYTNJVDQCAR-SNVBAGLBSA-N 272.312 0.686 0 50 CCAA O=C1C[C@@H](Cn2cc(CN3Cc4ccccc4C3)nn2)CN1 900552808 MBLOUTPLPVAGNP-GFCCVEGCSA-N 297.362 0.930 0 50 CCAA CCCc1noc(CN(C)CCN2CCOCC2)n1 23374627 ZPOGMQVFAGHQAD-UHFFFAOYSA-N 268.361 0.786 0 50 CCAA Cc1ccc(C(=O)N2CCC[C@@H](OCCO)C2)n1C 178661552 SUXLDJRHPBASEC-GFCCVEGCSA-N 266.341 0.947 0 50 CCAA Cc1ccc(O)cc1C(=O)N(CCN(C)C)CC(=O)O 313103234 NQARLRXYFSLJKU-UHFFFAOYSA-N 280.324 0.789 0 50 CCAA CN(CCNc1nc(N)nc2c1CCCC2)S(C)(=O)=O 95372533 AZKMTHWUVKASAW-UHFFFAOYSA-N 299.400 0.241 0 50 CCAA C[C@@H](CS(C)(=O)=O)NCc1cc(C2CC2)n[nH]1 584901413 YXHHXCCWHJAJKK-QMMMGPOBSA-N 257.359 0.810 0 50 CCAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1ccncc1 864146428 XUPUKRZJARPIMM-GFCCVEGCSA-N 278.308 0.939 0 50 CCAA CC1=NNS[C@H]1NC(=O)CSc1n[nH]c(=N)s1 1857800260 FBSRGKGMSXOZBG-RXMQYKEDSA-N 290.399 0.112 0 50 CCAA CC(C)c1noc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)n1 670456649 VYIHQSWZIOQYHD-RYUDHWBXSA-N 280.372 0.834 0 50 CCAA O=C(NC1(c2nc[nH]n2)CCC1)c1coc2c1CNC2 2325780281 VMDSQMWAUXNUNI-UHFFFAOYSA-N 273.296 0.810 0 50 CCAA COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C)C3)cn1 914431860 DHZDTDFNBSGIBW-RYUDHWBXSA-N 289.335 0.787 0 50 CCAA COC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 114924 HMSOKIUTJPROQQ-UHFFFAOYSA-N 259.283 0.851 0 50 CCAA CC(=O)Nc1ccc(N2CCOCC2)c(C(N)=O)c1 458338 XEAZECWGUDQMOC-UHFFFAOYSA-N 263.297 0.581 0 50 CCAA COC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 2472983 UBQLFSLNYINMMY-UHFFFAOYSA-N 285.321 0.982 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 26897697 UDAAVVGTVULJRE-GFCCVEGCSA-N 269.301 0.596 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 229437002 CMVJDAFNRMYUJN-GRYCIOLGSA-N 264.329 0.867 0 50 CCAA CCn1nccc1[C@@H]1CCCN1C(=O)NCC(=O)OC 21791915 WASLHHRVOGJHQD-JTQLQIEISA-N 280.328 0.923 0 50 CCAA O=C(CCn1ccnn1)N1CCC[C@H]1c1cc[nH]n1 329119945 VNMVCJKQWDDGHA-NSHDSACASA-N 260.301 0.755 0 50 CCAA O=C(CC[C@@H]1CCCO1)N1CCO[C@@H](c2ncon2)C1 329983554 BGXXKTRLJLJSCT-WDEREUQCSA-N 281.312 0.929 0 50 CCAA CC(C)OCCS(=O)(=O)N1C[C@@H](C)[C@H](C(=N)O)C1 330511401 BUGIHHPZNHEISG-NXEZZACHSA-N 278.374 0.844 0 50 CCAA NC(=O)c1noc([C@@H]2CCCN2CC(F)(F)F)n1 364444120 VDLWQHBVRBESFD-YFKPBYRVSA-N 264.207 0.868 0 50 CCAA CO[C@H]1C[C@@H](CN(C)Cc2cncnc2)N(C)C1 284980495 YRBWFUQDIPSXEN-STQMWFEESA-N 250.346 0.628 0 50 CCAA CCn1nc(CC(C)C)cc1C(=O)N1CCOC[C@H](O)C1 77389632 PQRHXVPWMGSZMY-CYBMUJFWSA-N 295.383 0.935 0 50 CCAA CC[C@@H](NC(=O)C(=O)c1cccnc1)[C@H]1C[C@@H](O)C1 219705548 YKPNPFGSVXJKHA-IJLUTSLNSA-N 262.309 0.930 0 50 CCAA Cc1cc(C(=O)NCCSc2nnnn2C)c(C)o1 218819597 BYYDDXISXQLRDP-UHFFFAOYSA-N 281.341 0.942 0 50 CCAA Cc1cc(CN[C@H]2CCCNC2=O)ccc1-n1cncn1 343932785 YVEOUQRAHIAEHD-ZDUSSCGKSA-N 285.351 0.944 0 50 CCAA Cc1nc[nH]c1CNC(=O)Cc1ccc(OCCN)cc1 426487830 CUYZFIDLUIADLJ-UHFFFAOYSA-N 288.351 0.915 0 50 CCAA C[C@H](CCC(=O)NCCn1cncn1)N1CCCC1 426474288 NZSDBOKGCYUNBO-GFCCVEGCSA-N 265.361 0.659 0 50 CCAA Cc1ncncc1C(=O)N1CCN(C)C(=O)[C@H]1C(C)C 97547806 XGXMCZOJRBFMCZ-GFCCVEGCSA-N 276.340 0.724 0 50 CCAA CC(C)c1nc(CCNC(=O)[C@@H](C)N(C)C)no1 426667499 ONGMRLACLDBNKM-SECBINFHSA-N 254.334 0.802 0 50 CCAA Cc1nc(NCCc2noc(CO)n2)c2c(C)noc2n1 95384183 RPMRXVMRPFUBGT-UHFFFAOYSA-N 290.283 0.765 0 50 CCAA CC[C@@H]1CN(Cc2cnn(CCC(=O)O)c2)CCO1 97654103 SKMJTCFCCHYNLS-GFCCVEGCSA-N 267.329 0.969 0 50 CCAA CCCc1cncnc1N1CC[C@@](C)(O)[C@@H](O)C1 96165562 OVJDFWQZLYRDIO-WCQYABFASA-N 251.330 0.751 0 50 CCAA O=C([C@H]1CCCN1)N1CC[C@@H](Oc2cccnc2)C1 238000825 FPZZAYHRAHHOKL-CHWSQXEVSA-N 261.325 0.813 0 50 CCAA COc1ccc(F)cc1NC(=O)NC[C@H](O)CO 91187290 JVQRLWJHDLPZHW-QMMMGPOBSA-N 258.249 0.309 0 50 CCAA C[C@H](Cn1cncn1)C(=O)NCc1n[nH]c2c1CCC2 244899697 ZOGOJXPGNZBISO-SECBINFHSA-N 274.328 0.442 0 50 CCAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N)[C@H]1N 257345536 AIOJNMKYPYMIQY-CLHCLYRXSA-N 280.324 0.127 0 50 CCAA Cc1cc(C(=O)NCc2noc(C(N)=O)n2)cc(C)n1 534661830 USDOOEAZTIKMEB-UHFFFAOYSA-N 275.268 0.110 0 50 CCAA COc1cccc2c1NC(=O)[C@@H]1C[C@@H](N(C)C)CN1C2=O 534649323 HFSKSUZTVAATKL-KOLCDFICSA-N 289.335 0.792 0 50 CCAA CN(CCn1ccnc1)c1cc([C@H]2CCOC2)nc(N)n1 299789502 VYLFSKKSXJQHDO-NSHDSACASA-N 288.355 0.896 0 50 CCAA COCCn1cncc1CNC(=O)[C@@]1(C)CC(C)=NO1 299797926 DBAXZSJWWXMUMM-CYBMUJFWSA-N 280.328 0.701 0 50 CCAA COCCc1ncc(CN2CC[C@H](OC)C2)cn1 824462345 IEWRCIMYWPXYHJ-LBPRGKRZSA-N 251.330 0.886 0 50 CCAA COC[C@H]1CCCN1S(=O)(=O)NCc1ccnc(C)c1 824371012 MGUHGDMJYZJBFC-CYBMUJFWSA-N 299.396 0.835 0 50 CCAA COc1cccc(NCC(=O)N[C@H](C)C(=O)O)c1 585139245 RQCDEBSLKSSNAU-MRVPVSSYSA-N 252.270 0.696 0 50 CCAA CN1C[C@@H](n2cnc3cccnc3c2=O)CCC1=O 584886528 AJGPHBGHDXLGCQ-VIFPVBQESA-N 258.281 0.585 0 50 CCAA CCCn1nccc1S(=O)(=O)N(C)CC(C)(C)CO 670457969 POHHRLLEEUFJLQ-UHFFFAOYSA-N 289.401 0.932 0 50 CCAA CCNc1nccnc1N1C[C@@H]2COCC[C@]2(C(N)=O)C1 952849852 HELSPGJHDBVUJD-YGRLFVJLSA-N 291.355 0.237 0 50 CCAA CCc1nc(N)cc(N2CCc3nnc(OC)cc3C2)n1 952887477 QDPQGQWIGJJERH-UHFFFAOYSA-N 286.339 0.983 0 50 CCAA CO[C@H]1C[C@@H]2C[C@@H](C(=O)NCCc3nc(O)n[nH]3)C[C@@H]21 1875280472 MLPIQVJVIRUANS-JXUBOQSCSA-N 280.328 0.230 0 50 CCAA C[C@]1(CC(=O)N2CCC[C@@H](C(=O)O)C2)CCNC1 1875290909 IALKIKXGLUXYQO-ZWNOBZJWSA-N 254.330 0.699 0 50 CCAA Cc1cc(C(=O)NC[C@]2(CO)CCOC2)c(C)cn1 1875296359 SEMLRPDLJPUFMB-AWEZNQCLSA-N 264.325 0.827 0 50 CCAA CN(C)CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2)c1 952978696 ZEZBEGPFVZBAFD-CYBMUJFWSA-N 290.367 0.877 0 50 CCAA COc1cc(N)c(C(=O)NCCC(=O)O)cc1OC 1775953898 VCRKTZWNCIUJPB-UHFFFAOYSA-N 268.269 0.491 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)c2ccc(C)cc2F)[C@@H](O)C1 991804761 KBILCCMIIVCAJQ-KBPBESRZSA-N 294.326 0.846 0 50 CCAA CC(C)(C)OC(=O)NC[C@H]1CNC[C@H](C(=O)O)C1 1535543509 ASMYHJIYHUDNDZ-RKDXNWHRSA-N 258.318 0.821 0 50 CCAA C[C@@H]1[C@@H](C)N(C(=O)c2ccn(C)n2)[C@H](C)C(=O)N1C 585126708 GPOSOWKFRMULSV-OPRDCNLKSA-N 264.329 0.500 0 50 CCAA O=C(COC[C@@H]1CCCO1)N1CCO[C@H]1C(F)(F)F 585125032 DPGMFPSJMBKIDB-WPRPVWTQSA-N 283.246 0.929 0 50 CCAA CC[C@@H]1NC(=O)N(C[C@H](n2cncn2)C(F)(F)F)C1=O 630991297 JJWJRYPPLZWEJW-BQBZGAKWSA-N 291.233 0.712 0 50 CCAA O=C1CC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C(=O)N1 305894153 PRKKJISPKXLKBB-BQBZGAKWSA-N 260.240 0.343 0 50 CCAA CN1CC[C@](O)(CNCc2cc3cnccc3o2)C1 651762745 MOCPBKQAABBKBL-AWEZNQCLSA-N 261.325 0.984 0 50 CCAA COC[C@H]1CCCN(S(=O)(=O)NCc2ccoc2)C1 1506400431 MWOULKGNVYPMBA-LBPRGKRZSA-N 288.369 0.972 0 50 CCAA COc1cc(C)c(C)cc1S(=O)(=O)NCCCO 19780814 OMTDSNUDRXNJGT-UHFFFAOYSA-N 273.354 0.973 0 50 CCAA CC(C)(N)C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704352769 JAWWBBVXUIOEEK-VXGBXAGGSA-N 263.341 0.493 0 50 CCAA Cc1cc(CC(=O)N2CC[C@@](C)(C(=O)O)C2)no1 237593736 QAFMXHWGLALCJA-GFCCVEGCSA-N 252.270 0.849 0 50 CCAA CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H](C(=O)O)C1 262417994 KKCVFZMZMPRCKD-JTQLQIEISA-N 291.369 0.380 0 50 CCAA COC1CCC(N(C)S(=O)(=O)c2cn(C)cn2)CC1 265261816 YMDUDVHJBCJIQY-UHFFFAOYSA-N 287.385 0.998 0 50 CCAA Cn1ccnc1Sc1ccc(N[SH](=O)=O)cn1 150562759 KBZHIECYKJPEBR-UHFFFAOYSA-N 270.339 0.905 0 50 CCAA Cc1ncccc1C(=O)N[C@H]1C[C@H]2CO[C@H](C)CN2C1 1857701112 PLLOJCAWJGCBCI-WXHSDQCUSA-N 275.352 0.981 0 50 CCAA CN(C)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1)c1ccc(F)cc1 237201124 NYJVUNQXWJTULM-MGPQQGTHSA-N 295.358 0.267 0 50 CCAA COC1(CN2C[C@H](C(=O)O)CC2=O)CCOCC1 1875301929 WWASCRQWPZROQJ-SECBINFHSA-N 257.286 0.115 0 50 CCAA Cc1cc(C)n(CC(=O)NC2(C(=O)O)CCC2)n1 164882233 LVKSCCLEHOQMRC-UHFFFAOYSA-N 251.286 0.623 0 50 CCAA NC(=O)NC(=O)CNc1ccc([C@H]2CCOC2)cc1 901425558 VETLUVKLOSNLDN-JTQLQIEISA-N 263.297 0.797 0 50 CCAA CCN(CC)[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 229981472 FYWRJRKSVHBDGY-LLVKDONJSA-N 263.341 0.931 0 50 CCAA C[C@@H]1CCCN(C(=O)C2CCN(C)CC2)[C@H]1CN 156956011 LSNLAMFYNNCNIW-YPMHNXCESA-N 253.390 0.914 0 50 CCAA CN1CC[C@H](Nc2cccc(S(C)(=O)=O)c2)C1=O 176903731 OFHSSFVOWHRTHH-NSHDSACASA-N 268.338 0.733 0 50 CCAA O[C@H](CN1CCn2c(nnc2C2CC2)C1)C(F)(F)F 408229031 LWQSUNMLBPPEEZ-MRVPVSSYSA-N 276.262 0.894 0 50 CCAA CCOc1ccnc(N2CCO[C@@H](CCN)C2)n1 534641436 PNCPIJCMTKKNQP-JTQLQIEISA-N 252.318 0.429 0 50 CCAA Cc1cc(C(F)(F)F)cc(NCC[C@H](O)CO)n1 584898224 GUPZHOHBDOSICL-VIFPVBQESA-N 264.247 1.564 0 50 CCAA CC(=O)SC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)O 34065196 YACVCCXVPMISTO-HTRCEHHLSA-N 277.367 0.888 0 50 CCAA CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](n3cccn3)C2)C1 2325803976 NMZYFWGZAAPOMP-TXEJJXNPSA-N 262.313 0.181 0 50 CCAA C[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C[C@H]1O 1447012707 VXJCIZNLNBIXEZ-ZWNOBZJWSA-N 274.324 0.661 0 50 CCAA Cc1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 41935 UCQJFKZQQNJDSR-UHFFFAOYSA-N 297.318 0.883 0 50 CCAA CCCNC(=O)Oc1ccccc1C(=O)NCO 1738253 XIHIOKRIBZQERK-UHFFFAOYSA-N 252.270 0.865 0 50 CCAA CCc1ccc(NC(=O)C(=O)NC[C@@H](C)O)cc1 2994068 CONSDQDYWGFXFP-SECBINFHSA-N 250.298 0.685 0 50 CCAA C/C(Nc1ccccc1N)=C1\C(=O)NC(=O)N(C)C1=O 3880314 JTWOOUZDQLGUAK-YFHOEESVSA-N 274.280 0.663 0 50 CCAA O=S(=O)(c1ccsc1CO)N1CCOCC1 20534661 YCAIJHOCCAWPKD-UHFFFAOYSA-N 263.340 0.261 0 50 CCAA CCOC(=O)c1c[nH]c(N2CCN(CC)CC2)nc1=O 9340873 MBYQVFVEANMJTI-UHFFFAOYSA-N 280.328 0.089 0 50 CCAA COC[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)CC1 22016210 OYWQZHQKGYDOOF-NSHDSACASA-N 274.361 0.546 0 50 CCAA CC[C@H]1COCCN1C(=O)c1c[nH]c2cc(C)nn2c1=O 102646372 ALNPHSFARJGMCE-JTQLQIEISA-N 290.323 0.582 0 50 CCAA COCC1(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 331559062 WWAOKNRRZUMHTA-JTQLQIEISA-N 268.357 0.929 0 50 CCAA CN(CC1CC1)C[C@@H]1CN(C(=O)[C@H]2CCCOC2)CCO1 328623667 CBEFDOKFDPOKRS-LSDHHAIUSA-N 296.411 0.982 0 50 CCAA CCn1nncc1C(=O)N1CC2(CCCOC2)C1 329098557 MACDRDNTXVSLKI-UHFFFAOYSA-N 250.302 0.551 0 50 CCAA Cc1cncc(C(=O)N2CCOC[C@@H]2CC(=O)O)c1 128219447 SYIJKAKSFSFGCR-NSHDSACASA-N 264.281 0.706 0 50 CCAA Cc1nc2c(c(=O)n1C)CN(C(=O)CCc1cccnc1)C2 216479672 DPEDXDRQMILEJS-UHFFFAOYSA-N 298.346 0.959 0 50 CCAA Cc1nc(N2C[C@@H](CO)OC[C@@H]2C)ccc1C(=O)O 124332030 RFQNNENRUQSIQG-WPRPVWTQSA-N 266.297 0.674 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1ccc(-n2cnnc2)cc1 124751697 MMOWHEVHCHTSFH-LLVKDONJSA-N 271.324 0.701 0 50 CCAA CN(C)Cc1csc(CN2CCN(C)[C@@H](CO)C2)c1 215214565 XYZCEBCKQHJCMX-CYBMUJFWSA-N 283.441 0.918 0 50 CCAA CNC(=O)c1cncc(/C=C/C(=O)N2CCNC[C@@H]2C)c1 125583200 OYUWANYGECEICL-UFFNRZRYSA-N 288.351 0.275 0 50 CCAA O=C(c1ncc(F)cc1F)N1CCOC[C@@H](CO)C1 77285081 HPBDKFYQUYIXJR-MRVPVSSYSA-N 272.251 0.441 0 50 CCAA O=C(C[C@H]1CNCCO1)N1CCNC[C@H]1c1ccccc1 333617798 RHAYNBGRCRJDML-GJZGRUSLSA-N 289.379 0.538 0 50 CCAA N[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 237889019 XKEYODNAERMRHV-RRFJBIMHSA-N 295.427 0.827 0 50 CCAA CCS(=O)(=O)N1CCN(C(=O)[C@H]2CC2(F)F)[C@H](C)C1 334634013 GKPZNSMILGZPLD-RKDXNWHRSA-N 296.339 0.524 0 50 CCAA CC(C)C[C@H](CNC(=O)c1cccc(=O)n1C)C(=O)O 262740150 GQKZOUIIXCZFDV-SNVBAGLBSA-N 280.324 0.862 0 50 CCAA CC(=O)C1(C(=O)N2CCN(C(=O)N(C)C)CC2)CC1 335793770 PPIUARUPVMWDBT-UHFFFAOYSA-N 267.329 0.181 0 50 CCAA CC(C)N1CC[C@H](N2C(=O)N3CCC[C@@]3(C)C2=O)C1=O 240912255 IWWPHGWYQFVZPU-HZMBPMFUSA-N 279.340 0.812 0 50 CCAA Cc1nonc1OCCNC(=O)[C@@H](N)Cc1ccccc1 223657239 AAGWUWBMPZGRAT-LBPRGKRZSA-N 290.323 0.443 0 50 CCAA CSC[C@H](NC(=O)CN1Cc2ccccc2C1)C(=O)O 426485502 AMOKISJVPIBXBY-LBPRGKRZSA-N 294.376 0.935 0 50 CCAA COc1ccnc(C(=O)NCCc2nc(C)cc(=O)[nH]2)c1 223867154 FYUJMVGWJOQKJY-UHFFFAOYSA-N 288.307 0.454 0 50 CCAA COc1ccc(-c2cc(=NCCO)nc(N)[nH]2)cc1F 426547500 AYPVVPORMVQLRK-UHFFFAOYSA-N 278.287 0.700 0 50 CCAA CN(C)C[C@]1(O)CCCN(C(=O)c2cncc(F)c2)C1 222974940 HJWJSPIJTAVLAO-CQSZACIVSA-N 281.331 0.749 0 50 CCAA O=C(O)CCC(=O)NC[C@H](CO)Cc1ccco1 516650262 PLTUQKSNZYOQLP-SECBINFHSA-N 255.270 0.412 0 50 CCAA O=C(NCCc1cn2ccccc2n1)c1ccnn1CCO 426401562 CDUPDIMWUMETKC-UHFFFAOYSA-N 299.334 0.496 0 50 CCAA Cc1ccccc1CNC(=O)CN1CC[C@@](C)(O)[C@@H](O)C1 96150699 ZBMUIEJQXSZTLH-GOEBONIOSA-N 292.379 0.429 0 50 CCAA CN(C)C[C@H]1COCCN(Cc2cn[nH]c2C(=O)O)C1 97745174 BTQFHKDCDQOCHJ-SNVBAGLBSA-N 282.344 0.118 0 50 CCAA O=C(CCCn1cncn1)N1CC[C@@]2(CCCNC2=O)C1 91847614 YCTPPUQLOQBGLN-AWEZNQCLSA-N 291.355 0.187 0 50 CCAA O=S1(=O)COCCN1Cc1ccc(-n2cccn2)cc1 91877287 VRSVEZMTMQUKSL-UHFFFAOYSA-N 293.348 0.992 0 50 CCAA COCCn1c(CN(C)C)nnc1[C@H]1C[C@@H](N)C1 244811743 SKKAAXLPIVMTFR-AOOOYVTPSA-N 253.350 0.191 0 50 CCAA C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)[C@H]1CCOC1 257365082 NWWYUNJORDPPAO-UTUOFQBUSA-N 274.386 0.274 0 50 CCAA C[C@@H](C(=O)O)N1CCC[C@H](C(=O)NCC2CC2)C1 299753644 YWHXGYFKKQFFHP-ONGXEEELSA-N 254.330 0.698 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N[C@@H](C)c1nc(C)no1 534639476 CKMVPCDTZRZQQB-QMMMGPOBSA-N 299.356 0.942 0 50 CCAA CN(C)C(=O)NCC(=O)NCCCOC1CCCC1 534581339 COUVIRMNXYIMEI-UHFFFAOYSA-N 271.361 0.723 0 50 CCAA O=C(NC1CCN(Cc2ccccn2)CC1)c1nc[nH]n1 269502101 ZSGNTOAHCIKMIC-UHFFFAOYSA-N 286.339 0.594 0 50 CCAA COC(=O)[C@H]1C[C@H](O)CN1Cc1cccc(OC)c1OC 276695946 XYWBDFLNUAYRDR-NWDGAFQWSA-N 295.335 0.812 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2F)CN1 299768750 ZALDBMUNIMUKCS-KCJUWKMLSA-N 266.272 0.459 0 50 CCAA CCN1C[C@@H](c2nc(CC(N)=O)nn2C(C)(C)C)CC1=O 823102352 FHLJARNHTUKTGZ-VIFPVBQESA-N 293.371 0.397 0 50 CCAA CC[C@@H](C(=O)N(C)C)N(C)Cc1nncn1CC 670461309 LBPZBGVAOKHYQR-JTQLQIEISA-N 253.350 0.597 0 50 CCAA O=C(NCCCCCN1CCOCC1)[C@H]1C=CCN1 670453841 JRLKYHJNHAHSKW-CYBMUJFWSA-N 267.373 0.133 0 50 CCAA CS(C)(=O)=NCCNC(=O)[C@@H]1CSCCS1 952874675 RCVZTMAOJVFFNU-QMMMGPOBSA-N 282.456 0.679 0 50 CCAA COC1CN(S(=O)(=O)Nc2ccc(F)c(O)c2F)C1 1875280927 HEJJTCFUDQOMRZ-UHFFFAOYSA-N 294.279 0.658 0 50 CCAA CN(C)C/C=C/C(=O)NCCC1=CCN(C)CC1 1875375671 JDRUDCXPBSVANT-SNAWJCMRSA-N 251.374 0.872 0 50 CCAA C[C@@H]1CN=C(N2CCc3nc(N(C)C)ncc3C2)N1C 1875355959 IBSSDLIXGBSUEU-SNVBAGLBSA-N 274.372 0.591 0 50 CCAA O=C(Nc1ccccc1CN1CCOCC1)[C@@H]1C=CCN1 952989692 SXEOWIINDMDKMC-HNNXBMFYSA-N 287.363 0.985 0 50 CCAA CCc1cc(CC(=O)N[C@@]23CCC[C@@H]2NCC3)n(C)n1 1775961308 PMPICHNDBQOFPK-DZGCQCFKSA-N 276.384 0.926 0 50 CCAA O=C1NCc2ccc(C(=O)NCc3cn[nH]c3)cc2N1 1776003529 VXFPSIOBROOVFB-UHFFFAOYSA-N 271.280 0.975 0 50 CCAA O=C(NC1(c2nc[nH]n2)CCC1)[C@H]1CCc2n[nH]cc2C1 1776002379 JGZIXMDHSDJYCV-VIFPVBQESA-N 286.339 0.828 0 50 CCAA CCC1(NC(=O)N2CCS(=O)(=O)CC2)CCOCC1 408398038 XFCNQRHCMPUPFF-UHFFFAOYSA-N 290.385 0.386 0 50 CCAA CC[C@@H](NC(=O)c1ccc(C(N)=O)cc1)C(OC)OC 408514515 IIENPRVCRNWZFS-LLVKDONJSA-N 280.324 0.913 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)C[C@H]1CN 638900237 FYMAYXUUKQLYQR-NTZNESFSSA-N 274.368 0.635 0 50 CCAA Cn1cncc1CCN[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 643960058 MZSOJUYGKLRBQA-KFWWJZLASA-N 278.400 0.540 0 50 CCAA Cn1ccc(CN2C[C@H](CN)C3(CCOCC3)C2)cc1=O 647985852 KSYWQBUUVINLSJ-AWEZNQCLSA-N 291.395 0.573 0 50 CCAA Cn1cc([C@@H]2N(C(=O)c3ncn(C)n3)CC2(C)C)cn1 579132724 JRYWCYXOGMKVCL-JTQLQIEISA-N 274.328 0.772 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2scnc2Cl)CCO1 583650623 SHPIIDWSWFYSRN-YFKPBYRVSA-N 276.701 0.722 0 50 CCAA C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H](C)N1CCO 584156606 CSTWAKXGYREWKL-PHIMTYICSA-N 292.383 0.426 0 50 CCAA Cc1nccc([C@H]2CCCN(Cc3nnn(C)n3)C2)n1 685034505 OHIWQEDNAUNQAS-NSHDSACASA-N 273.344 0.688 0 50 CCAA CC(C)NC(=O)c1ccnc(NCc2nc(O)n[nH]2)c1 1506397055 OOJLCCIXXJLNGM-UHFFFAOYSA-N 276.300 0.656 0 50 CCAA Cc1nncn1CCN1CCN(c2cnccn2)CC1 1506407520 PEPIGYBNXXNRMB-UHFFFAOYSA-N 273.344 0.199 0 50 CCAA C[C@@H](CN(C)CCO)NCc1ccc(C(=O)O)cc1 1506414172 PBOVRJNTJLSMFH-NSHDSACASA-N 266.341 0.787 0 50 CCAA COC[C@@H]1CCCCN1C(=O)CCc1nc[nH]n1 622669812 GQDPTTQEZDNDCD-JTQLQIEISA-N 252.318 0.765 0 50 CCAA COC[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 264906995 DDRWIULXRSKJQT-SNVBAGLBSA-N 273.358 0.467 0 50 CCAA NC(=O)CSCC(=O)N1CC(F)(F)OC(F)(F)C1 1616037230 HIBYZILLDATQFV-UHFFFAOYSA-N 290.238 0.249 0 50 CCAA CC(C)C[C@@](C)(CN)NC(=O)C1(F)CCNCC1 1616039896 YECAYVFQSJUDIQ-LBPRGKRZSA-N 259.369 0.958 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c(C)o1 168021509 LUMZYSQUNAATRX-AWEZNQCLSA-N 291.307 0.711 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCc2c(C)n[nH]c2C)CC[C@@H]1N 1857733858 BQIZUVMBYYBJHB-DRZSPHRISA-N 280.372 0.785 0 50 CCAA CCOC(=O)[C@@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 100124042 SFFQYGDIFWFUAF-GDNZZTSVSA-N 273.288 0.981 0 50 CCAA in-vitro O=C(Nc1cnn(CCN2CCOCC2)c1)c1cc[nH]n1 264300133 LQNCGKZTMBLHCN-UHFFFAOYSA-N 290.327 0.191 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1C[C@@H]1C1CC1 237129499 NSVFFOLAEJXKPS-MNOVXSKESA-N 254.330 0.507 0 50 CCAA CN1CC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)N)C1=O 262960299 KSCGVXNOSRTDSF-KWBADKCTSA-N 253.346 0.241 0 50 CCAA C[C@H]1CN(Cc2nnc(C3CC3)n2C)CC[C@@H]1O 407949572 RKIAFNXFMSHHPX-ONGXEEELSA-N 250.346 0.895 0 50 CCAA Cc1[nH]nc2c1CN(C(=O)[C@H]1CCS(=O)(=O)C1)CC2 426389618 KBLVCVZKGQJNHS-VIFPVBQESA-N 283.353 0.038 0 50 CCAA COC[C@H]1CCCCN(S(=O)(=O)c2cnc[nH]2)C1 372093461 FHPGLTREWRFNKF-JTQLQIEISA-N 273.358 0.847 0 50 CCAA Cc1ncn(C)c1C(=O)N1CCC(O)(CN(C)C)CC1 584892222 WBHQGSGDAXZWOO-UHFFFAOYSA-N 280.372 0.257 0 50 CCAA COc1cc(OC)cc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 63979 DZARVNWUFNKKJZ-UHFFFAOYSA-N 291.263 0.333 0 50 CCAA CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2=O 179245 REBUVEINYZJZMV-UHFFFAOYSA-N 252.314 0.292 0 50 CCAA COc1cccc(NC(=O)C(=O)NC[C@@H](C)O)c1 2992606 RCPWXYOVTFNCEN-MRVPVSSYSA-N 252.270 0.131 0 50 CCAA Cn1ncc(Br)c1N1C(=O)CCC1=O 4324125 PVISTKLHYNXIME-UHFFFAOYSA-N 258.075 0.836 0 50 CCAA O=C(C[C@@H]1NCCNC1=O)Nc1ccc(OC(F)F)cc1 4539081 AIFVSVPCLDHRHG-JTQLQIEISA-N 299.277 0.705 0 50 CCAA CN1CC[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)C1=O 247421464 UWHMMYRXFSADEK-YNEHKIRRSA-N 289.335 0.175 0 50 CCAA CC(C)N1CCC(C(=O)NCCN2CCNC2=O)CC1 65507504 HAHVGOFONOLWSO-UHFFFAOYSA-N 282.388 0.248 0 50 CCAA CCC/C=C/CN1CCN2C(=O)CN(C)C(=O)[C@H]2C1 65393752 IFCUZUKZCLBXCS-BTDICHCPSA-N 265.357 0.328 0 50 CCAA OCCN(CCO)c1nc(C(F)(F)F)ns1 228797819 PKNBETPXBIVJPB-UHFFFAOYSA-N 257.237 0.348 0 50 CCAA Cc1cc(-n2c(C)nnc2SCC(=O)O)n(C)n1 67895357 CGMCPBRLKRLZQB-UHFFFAOYSA-N 267.314 0.794 0 50 CCAA CCN1CC[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 521878115 MWKOIQRFLOUTGC-NSHDSACASA-N 262.357 0.901 0 50 CCAA C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1CCC(=O)NC1=O 333240590 ILJSJRMMRDCEFH-VWYCJHECSA-N 282.340 0.503 0 50 CCAA COCCn1cncc1CN1CC[C@](O)(CN(C)C)C1 72151899 PIDSZQKBZBQNAM-AWEZNQCLSA-N 282.388 0.028 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1CN(C)C 262106953 FCDRUOOSCJGMDF-DOMZBBRYSA-N 291.395 0.741 0 50 CCAA CSCC[C@H](NC(C)=O)C(=O)NCc1cnn(C)c1C 216525705 MHZIXPUHHIFTGL-LBPRGKRZSA-N 298.412 0.603 0 50 CCAA COCc1ccc(C(=O)N2CCOC[C@H]2C(=O)O)o1 262495994 MTXJOCTXAATGKY-VIFPVBQESA-N 269.253 0.352 0 50 CCAA O=C(C(=O)N1CC[C@@]2(CCCN2)C1)N1CC2(CCCC2)C1 335378364 QIRRUFRMKPAOLN-INIZCTEOSA-N 291.395 0.744 0 50 CCAA CN1CC[C@H](C(=O)NC(C)(C)CCC(=O)O)CC1=O 262577308 DRPAXMMLVJZWPU-VIFPVBQESA-N 270.329 0.614 0 50 CCAA Cc1cc(C)n(CCCN(C)C[C@@]2(O)CNCCOC2)n1 77518695 ZGPWGVRJRAKNTO-HNNXBMFYSA-N 296.415 0.173 0 50 CCAA NC[C@H]1CC(C(=O)NCC[C@H]2CCCCO2)=NO1 852885173 SHOPHYZIGDSYKN-NXEZZACHSA-N 255.318 0.165 0 50 CCAA CCSCCCNC(=O)N[C@H]1CC[S@](=O)C1 241774105 RNBVWLMSOSVNOL-FVMDXXJSSA-N 264.416 0.950 0 50 CCAA c1cc2nnnn2nc1N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 241965632 UUOKFHYIBKLPCE-TUAOUCFPSA-N 285.355 0.440 0 50 CCAA C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1=O)c1csnn1 528018992 PHIACFAQOVLJRS-HTQZYQBOSA-N 283.357 0.519 0 50 CCAA O=C(c1ncc(F)cc1F)N1CC(N2CCOCC2)C1 223769580 VOHARPPXFWTUQB-UHFFFAOYSA-N 283.278 0.516 0 50 CCAA CCc1nn(C)c2c(=O)n([C@H]3CCCCNC3=O)cnc12 43040719 WBYNXBOETMKDCQ-JTQLQIEISA-N 289.339 0.534 0 50 CCAA Cc1ccc(C(=O)N(C)[C@@H]2CCNC2)cc1S(C)(=O)=O 179070923 KTOZIBLKDNALKA-GFCCVEGCSA-N 296.392 0.832 0 50 CCAA CCOC(=O)N1CC[C@@H](N2C[C@@H]3CC[C@H](C2)[C@H]3N)C1 426533763 IGYOKPSGEPRDDS-YVECIDJPSA-N 267.373 0.886 0 50 CCAA CCc1cccc(OC2CN(C(=O)[C@@H](N)[C@@H](C)O)C2)c1 95384185 KESLTVWKALPIKH-YGRLFVJLSA-N 278.352 0.547 0 50 CCAA CS(=O)(=O)c1ccc(-c2cnn(CCC(N)=O)c2)cc1 96161614 JGFHFNNRCBYBRS-UHFFFAOYSA-N 293.348 0.829 0 50 CCAA CSCC(=O)N1CCC2(CC1)[C@@H](OCCN)C[C@H]2O 91492930 OWKYMDSAIXLDQJ-MNOVXSKESA-N 288.413 0.067 0 50 CCAA CC(=O)N1CCCN([C@H](C(=O)O)c2c(C)noc2C)CC1 95387138 QVQWSWWUHYVLOZ-ZDUSSCGKSA-N 295.339 0.971 0 50 CCAA Cc1cccc2nc(CN3CCC[C@@H]3C(N)=O)cc(=O)n12 244882810 XZJDKCWZBXZLQV-GFCCVEGCSA-N 286.335 0.453 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25CCC[C@]12[C@H]5[C@H]43 248021153 HZYORRWLOHIHCH-RSVYLKSRSA-N 257.293 0.120 0 50 CCAA Cn1cc(O[C@@H]2CN(Cc3cccnc3)C[C@H]2O)cn1 625624189 GZDMKVDQGCMLTI-ZIAGYGMSSA-N 274.324 0.439 0 50 CCAA Cc1ccc(C(=O)NCCc2nc(=O)o[nH]2)nc1C 299163283 ZQVGHQGLOTZPHH-UHFFFAOYSA-N 262.269 0.347 0 50 CCAA Cc1[nH]ncc1C(=O)N1CCC[C@H]1Cn1ccnn1 299744423 ORYFKWHEYIKMRI-JTQLQIEISA-N 260.301 0.614 0 50 CCAA Cc1cc(=O)n(CCN(C)Cc2nnc(C)o2)c(O)n1 253537057 WDFWFJVMDBJRQM-UHFFFAOYSA-N 279.300 0.081 0 50 CCAA O=C(NCCCOC1CCCC1)c1cncc(=O)[nH]1 534579671 LERPTMIQQNNPNQ-UHFFFAOYSA-N 265.313 0.849 0 50 CCAA Cc1cccnc1[C@H](NC(=O)Cn1nnnc1C)C1CC1 534645943 NEPJVYOQZKLWOE-CQSZACIVSA-N 286.339 0.952 0 50 CCAA O=C1OC[C@H]2CN(c3ncnc4[nH]ccc34)CCN12 374554041 KQEOULDAJRLBKB-MRVPVSSYSA-N 259.269 0.599 0 50 CCAA Cc1cc(C[C@@H](C)NC(=O)Nc2cn(C)nn2)[nH]n1 299757416 JLNQFTSVFNXAJG-SSDOTTSWSA-N 263.305 0.599 0 50 CCAA Cc1nc(CNC(=O)/C=C/c2cc(CO)cs2)n[nH]1 828835573 ZACXKBNEAADLOA-NSCUHMNNSA-N 278.337 0.997 0 50 CCAA C[C@@]1(C(=O)N2CCC3(CC2)COC(=O)O3)CCCNC1 584902927 WQERLMFTXMUUJB-CYBMUJFWSA-N 282.340 0.904 0 50 CCAA O=C([C@@H]1CCCN(CCc2ncc[nH]2)C1)N1CCOCC1 827968220 AQOVMOJWSZXJJO-CYBMUJFWSA-N 292.383 0.523 0 50 CCAA Cn1ncnc1CCNC(=O)c1cnc(C2CC2)nc1 584886337 NUMCSCMJFPZPHR-UHFFFAOYSA-N 272.312 0.455 0 50 CCAA C[C@H](NC(=O)c1csc(=N)[nH]1)c1n[nH]c(=N)s1 584900695 IAPIDDNYGMQHQU-VKHMYHEASA-N 270.343 0.311 0 50 CCAA Cn1ncnc1CCNC(=O)c1nn(C)c2ccccc12 670469072 HDIYMZMVFJMZOT-UHFFFAOYSA-N 284.323 0.674 0 50 CCAA COCCCOCC(=O)N1CCc2nnc(OC)cc2C1 952888362 WZBGOUSZUVAMQQ-UHFFFAOYSA-N 295.339 0.423 0 50 CCAA O=C(N=c1[nH]nc(C2CC2)s1)N1C[C@@H]2C[C@@H](O)[C@H]1C2 1875282710 PHGDMHNYTIAZEI-NBEYISGCSA-N 280.353 0.824 0 50 CCAA O=C(C1CSC1)N1CCOC[C@@H]1c1cc[nH]n1 1875330065 LBCXNWWZYLOHFW-SNVBAGLBSA-N 253.327 0.673 0 50 CCAA COc1cc(CN2C[C@@H](O)[C@H](F)C2)cc2c1OCO2 952869189 YIQRYHFAWGPSLT-NXEZZACHSA-N 269.272 0.939 0 50 CCAA CC(C)C[C@H]1CN(C)CCN1C(=O)CCc1nn[nH]n1 886599535 AQIXEIIXNZFFLL-NSHDSACASA-N 280.376 0.321 0 50 CCAA O=C(N1CC[C@@H](C(F)(F)F)C1)C1(n2cnnn2)CC1 888025269 SCZCBDYFSSFRCC-SSDOTTSWSA-N 275.234 0.573 0 50 CCAA COc1cc(O)ncc1C(=O)N[C@]12CCC[C@@H]1NCC2 1775600308 MXVMMWYTMOTGCQ-FZMZJTMJSA-N 277.324 0.810 0 50 CCAA C[C@H]1C(=O)N(C[C@@H](n2cncn2)C(F)(F)F)C(=O)N1C 630990556 DXAXZAGSFIAZBD-NKWVEPMBSA-N 291.233 0.664 0 50 CCAA CCO[C@H](C)C(=O)NN1C(=O)N[C@](C)(CC)C1=O 278720125 KOLLLBDRGIRIQV-RDDDGLTNSA-N 257.290 0.163 0 50 CCAA CC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)SC)C1=O 278774906 NHYMNJMAGJFBJG-QUBYGPBYSA-N 259.331 0.490 0 50 CCAA CC(C)(CC(=O)N[C@H]1CNC(=O)C1)C(F)(F)F 408333400 DMOPHHJQHRXMQD-ZCFIWIBFSA-N 252.236 0.970 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(c2nc(C(C)C)no2)C1 643721079 RREJRVCWHFYPME-CYBMUJFWSA-N 282.344 0.660 0 50 CCAA COC(=O)C1(CNC(=O)c2nc(O)sc2C)CC1 585089309 DEJXKEGTOCYRQH-UHFFFAOYSA-N 270.310 0.840 0 50 CCAA COCCN(C)CC(=O)N(C)C[C@@]1(C)CCN(C)C1 1506413668 JRZMPCVLQMEVGA-AWEZNQCLSA-N 271.405 0.365 0 50 CCAA OCCOCCN[C@H]1CCN(c2ccccc2)C1 1506407478 OMBUTESSTSMQFF-ZDUSSCGKSA-N 250.342 0.864 0 50 CCAA Cc1ncoc1CNS(=O)(=O)c1cnc(C)n1C 907596915 IYGREBQCDXEJSZ-UHFFFAOYSA-N 270.314 0.503 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2cccc(O)c2)C[C@@H]1O 212736351 CRZUMPPPUXPQMX-JSGCOSHPSA-N 265.309 0.740 0 50 CCAA CN1C(=O)[C@H](N2CCCCC2)S/C1=C\C(=O)O 2020078 NQFBZYYUAFJYNS-SKVAFPRGSA-N 256.327 0.930 0 50 CCAA in-man O=C(O)[C@@H]1CCCN(C(=O)COCC(F)(F)F)C1 223824396 DIJJXJBBJPMZGN-SSDOTTSWSA-N 269.219 0.889 0 50 CCAA Cc1ncsc1CCC(=O)N[C@H]1CCOC[C@@H]1O 629241979 CIPINWTYEARBPX-UWVGGRQHSA-N 270.354 0.650 0 50 CCAA COCCCC(=O)N1CCC[C@H]1Cn1ccnn1 332716748 QCFOQQIBHXSRIS-NSHDSACASA-N 252.318 0.696 0 50 CCAA NC[C@H]1CCCCN1C(=O)CCN1CCCC1=O 237941442 PWIDTKRANVYXPJ-LLVKDONJSA-N 253.346 0.339 0 50 CCAA O[C@H]1CN(CCCn2cccn2)C[C@@H]1Cc1cnccn1 1616083708 QVYMISQQSZELLR-ZFWWWQNUSA-N 287.367 0.599 0 50 CCAA CN(CCc1cnn(C)c1)C[C@@H]1CCC(=O)N(C)C1 1772818679 JNVZQHSJKYXTPI-ZDUSSCGKSA-N 264.373 0.763 0 50 CCAA CCCN1CCN(C[C@H]2CCC(=O)N(C)C2)CC1=O 1775980290 XMFFVZAOPUDHLT-LBPRGKRZSA-N 267.373 0.409 0 50 CCAA CN1CCN(CCNc2ncnc3cc[nH]c23)C1=O 1772808135 GSEHAVCWHGNKBZ-UHFFFAOYSA-N 260.301 0.737 0 50 CCAA CCc1noc(C)c1C(=O)NCCCN1CCOCC1 13744235 WJBOFNZNRWDZFE-UHFFFAOYSA-N 281.356 0.998 0 50 CCAA O=C(CNS(=O)(=O)c1cccs1)N1CCCO1 19773662 INPCSZVEXSWVBL-UHFFFAOYSA-N 276.339 0.190 0 50 CCAA O=C(O)[C@H]1CC[C@@H](C(=O)NCCc2ncc[nH]2)C1 236443323 ANWJYSPBPIOANW-BDAKNGLRSA-N 251.286 0.569 0 50 CCAA CC(=O)N[C@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 332700382 VBSINVZHGQXPLK-SFYZADRCSA-N 291.307 0.869 0 50 CCAA CN1CCC(NC(=O)c2ccc3nn[nH]c3n2)CC1 346863017 LSKLBWLYTVBONT-UHFFFAOYSA-N 260.301 0.177 0 50 CCAA CCC1(C(=O)N2CCN([C@@H]3CCNC3)CC2)CCOCC1 367360239 GEXCBONVMDGUBN-CQSZACIVSA-N 295.427 0.699 0 50 CCAA COc1ccc(CNC(=O)CN2C[C@@H](O)C3(CC3)C2)cc1 372287354 FRBVSWQTMIBGJJ-CQSZACIVSA-N 290.363 0.768 0 50 CCAA O=C(c1cnn(C2CC2)c1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 902062017 GPIZVRUPPDQIHJ-QMTHXVAHSA-N 291.307 0.391 0 50 CCAA O=C(NCCn1cnccc1=O)c1ccnn1C1CCC1 823635169 UIXUMOKYKAIFRP-UHFFFAOYSA-N 287.323 0.595 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1nccs1 225644697 LOOXMJGTOKUUCL-OOJXKGFFSA-N 266.278 0.736 0 50 CCAA CC1CCN(C(=O)NCCN2C(=O)CCC2=O)CC1 114029589 UKMLSLOGUGSCSP-UHFFFAOYSA-N 267.329 0.577 0 50 CCAA C[C@H]1CCN(Cc2nc(N)nc(N)n2)C[C@H](C)C1 127276447 QNEQIMMOVHRQSR-DTWKUNHWSA-N 250.350 0.904 0 50 CCAA Cn1cc(CN2Cc3ccccc3[C@@H](C(=O)O)C2)nn1 236110382 ZOGLTNFWGHYCNU-ZDUSSCGKSA-N 272.308 0.999 0 50 CCAA O=C(NC[C@H]1CCCO1)c1ccc(-n2cnnn2)cc1 13734232 GONUPDXOHUKPIH-GFCCVEGCSA-N 273.296 0.571 0 50 CCAA CCCN1CC[C@@H](CNS(=O)(=O)c2cn[nH]c2)C1 534653745 KTTDVJJQPXYXMN-JTQLQIEISA-N 272.374 0.420 0 50 CCAA COC1(CC(=O)N2CC[C@](OC)(C(=O)O)C2)CCC1 630254252 OXLDDLJMXHXORH-CYBMUJFWSA-N 271.313 0.648 0 50 CCAA O=C1CCCN1CP(=O)(O)CN1CCCC1=O 4187985 GSSKZGQQWRKKSW-UHFFFAOYSA-N 260.230 0.417 0 50 CCAA Cc1nnc(CN2C[C@@H](O)[C@H](CC(=O)O)C2)s1 1857731808 PHKAQGSPXZJQEF-HTQZYQBOSA-N 257.315 0.114 0 50 CCAA COc1ccc(CN2C[C@@H](N)CC2=O)c(OC)c1 57957075 UMQHWTBHVHLMBC-JTQLQIEISA-N 250.298 0.763 0 50 CCAA O=C(CCNCCc1c[nH]cn1)NCc1ccco1 65375247 MLPRCRJCBHWYJQ-UHFFFAOYSA-N 262.313 0.841 0 50 CCAA Cc1cc(F)cc(C(=O)NC[C@](C)(O)C(=O)O)c1 136847089 DCMQNWYIEUGUEV-LBPRGKRZSA-N 255.245 0.700 0 50 CCAA O=C(NC[C@@H]1CCCS1(=O)=O)Nc1nccs1 152083987 ZNQFAHDBVOGJIC-ZETCQYMHSA-N 275.355 0.842 0 50 CCAA O=S(=O)(c1c(F)cccc1F)N1CCNCC1 34781236 PZSLKDVSXVWFMI-UHFFFAOYSA-N 262.281 0.559 0 50 CCAA CCC(C)(C)C(=O)NCCn1cc(C(=O)OC)nn1 253421411 RIRBJJMJTDFNPY-UHFFFAOYSA-N 268.317 0.617 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1ccc(C(N)=O)s1 125317002 YJBYQGSENHBDBF-SSDOTTSWSA-N 253.327 0.281 0 50 CCAA NC(=O)c1ccccc1CC(=O)N1CC[C@](O)(C2CC2)C1 365876183 IYPWUUCBPIFWME-MRXNPFEDSA-N 288.347 0.701 0 50 CCAA Cc1nnc(CCNC(=O)CN2CC[C@@H](N(C)C)C2)s1 219968210 QOFVTMBPYZYFML-LLVKDONJSA-N 297.428 0.141 0 50 CCAA O=C1C[C@H](C(=O)N[C@H](C(=O)O)c2ccccc2)CCN1 238001457 IIJNSBXXIUBFEA-PWSUYJOCSA-N 276.292 0.455 0 50 CCAA C[C@H](CN)C(=O)NCCS(=O)(=O)c1ccccc1 262247975 SGLDPRDKYJNKKY-SNVBAGLBSA-N 270.354 0.171 0 50 CCAA COc1ncc(CN2CCN3CCOC[C@@H]3C2)c(C)n1 375614498 RJODOCXBFPGHRT-ZDUSSCGKSA-N 278.356 0.310 0 50 CCAA O=C1NCCN1CCN1CCC(c2cc[nH]n2)CC1 377275305 HWKVHGOKMCWPQY-UHFFFAOYSA-N 263.345 0.614 0 50 CCAA CO[C@](C)(C(=O)NCc1csc(=O)[nH]1)C1CC1 291944094 PSBRUNMDTPRXAD-NSHDSACASA-N 256.327 0.868 0 50 CCAA Cc1nc(CCNC(=O)[C@@H]2COC(=O)N2)sc1C 295619073 ZOIXEGDFIGNNEB-QMMMGPOBSA-N 269.326 0.527 0 50 CCAA Cn1c(C(=O)NCC2=CCCCC2)cc(=O)n(C)c1=O 97698712 ZOFWMSSUPBRLJD-UHFFFAOYSA-N 277.324 0.314 0 50 CCAA COC(=O)[C@@H](C)NC(=O)Cc1sc(S)nc1C 163615799 QGNDQIDZBGPRMK-ZCFIWIBFSA-N 274.367 0.960 0 50 CCAA C[C@H](C(=O)O)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239090959 HNBWDTVDZIXTAL-IEJHQKJQSA-N 261.277 0.513 0 50 CCAA O=C(NCCc1c[nH]cn1)c1ccccc1-c1nnn[nH]1 97529080 WRPNPUFWKZEKGF-UHFFFAOYSA-N 283.295 0.562 0 50 CCAA COCC(=O)N1CCC(c2nc([C@@H]3CCOC3)no2)CC1 96149514 RLSFYBUFWBZATG-LLVKDONJSA-N 295.339 0.926 0 50 CCAA CN1C(=O)[C@H]2N=C(Cc3ccccc3)N[C@H]2N(C)C1=O 95495699 QOZZUTNLSJJWNT-RYUDHWBXSA-N 272.308 0.449 0 50 CCAA COCCN(CC(=O)O)C(=O)[C@@H]1CC12CCOCC2 299746313 WPDFJNIIGBAJAJ-JTQLQIEISA-N 271.313 0.363 0 50 CCAA Cn1ccc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1 628376201 KAISWLROPFGGFM-ZIAGYGMSSA-N 276.340 0.383 0 50 CCAA O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H]1CCCNC1 534633664 KIYWJQRPLPMCHF-LURJTMIESA-N 277.250 0.439 0 50 CCAA COC(=O)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 606241607 FZXXRCONGBZZKX-UHFFFAOYSA-N 292.334 0.280 0 50 CCAA CC[C@@H](NC(=O)CCCN1CCOCC1)c1ncnn1C 534634174 MYRNYEXYSZBEME-GFCCVEGCSA-N 295.387 0.495 0 50 CCAA CN(Cc1cnc2ccccn12)C(=O)CCCn1cnnn1 299756215 DRSWISANVFIVMT-UHFFFAOYSA-N 299.338 0.760 0 50 CCAA CCN1CCN(C(=O)c2cn(C)c(C)cc2=O)[C@@H](C)C1=O 653024350 PDQQOJKJLLEROQ-NSHDSACASA-N 291.351 0.387 0 50 CCAA COc1nccnc1NC[C@H]1CC(=O)N(C2CC2)C1 824853287 UNHGEJWNJLWBRC-SECBINFHSA-N 262.313 0.908 0 50 CCAA CN1CCCCC[C@@H]1c1nc(CC(N)=O)nn1CCCO 828754134 CBAQSPQTOITVOR-LLVKDONJSA-N 295.387 0.235 0 50 CCAA O=C([C@@H]1CCCCn2nnnc21)N1CCc2nocc2C1 584894674 MRVPVDZVFGEKHA-SNVBAGLBSA-N 288.311 0.514 0 50 CCAA Cc1nnnn1CCC(=O)N[C@@H](CO)c1ccc(F)cc1 584896465 YJAPMPKDWMOJCE-LBPRGKRZSA-N 293.302 0.361 0 50 CCAA CN(C)C1=NC2(CCN(C[C@@H]3CCCOC3)CC2)C(=O)N1 670450013 BYFKVURMPBWCIG-LBPRGKRZSA-N 294.399 0.295 0 50 CCAA COCCNCCNC(=O)N1CCCc2c(cnn2C)C1 952893279 ILRSPDPKLURIIM-UHFFFAOYSA-N 295.387 0.114 0 50 CCAA N[C@H]1CN(C(=O)CN2CCC(CO)CC2)CC12CCC2 1775962569 STJDCDZNDJNUEH-ZDUSSCGKSA-N 281.400 0.031 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)c1cnn(CC(C)C)c1C 170070309 GMAZURANWIGPIY-STQMWFEESA-N 280.372 0.564 0 50 CCAA COC(=O)CCN1CC[C@@H](N(C)CCN2CCCC2)C1=O 585094252 XANZTHGNUSOQKY-CYBMUJFWSA-N 297.399 0.178 0 50 CCAA Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1nnnn1C 408088457 FWFGRRYYLUGZHM-LLVKDONJSA-N 291.359 0.134 0 50 CCAA O=C(N1CCCC1)[C@@]1(O)CCCN(Cc2ncccn2)C1 408047567 HIEGSVMTZVNTHP-OAHLLOKOSA-N 290.367 0.426 0 50 CCAA C[C@H]1CCO[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C(=O)O)C1 710148774 JOZDFJUURHWZTE-MPXOCVNLSA-N 255.314 0.981 0 50 CCAA Cc1cccc(CNC(=O)Cn2c(=O)ccn2C)c1 664052146 VJZZPMPVZOADQX-UHFFFAOYSA-N 259.309 0.812 0 50 CCAA COC(=O)N[C@@H](C)C(=O)N1CCC2(CCCO2)CC1 1857688258 ZKCYGMVIVXFSHQ-JTQLQIEISA-N 270.329 0.903 0 50 CCAA CC[C@@H](OC)C(=O)Nc1cnc(N2CCNCC2)nc1 1875270145 AMXWXTGCNHTSLG-LLVKDONJSA-N 279.344 0.250 0 50 CCAA CNC(=O)[C@@H]1C[S@@](=O)[C@@H]2c3ccccc3C(=O)N12 1875321413 HTJJYMVDXADFRC-PCULOGHHSA-N 264.306 0.018 0 50 CCAA CC(=O)N1CC[C@@H](C(=O)N2C[C@H](C)N[C@H](C)C2)C1 154278104 GMDBUOYORHWFCL-JFGNBEQYSA-N 253.346 0.064 0 50 CCAA COC1(CO)CCN(Cc2cnn(CCF)c2)CC1 1615002492 HOMQUUCPYPXEKC-UHFFFAOYSA-N 271.336 0.826 0 50 CCAA C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[C@@H](C(=O)O)C1)CS2 218271045 RWKXEFIEXPKHBG-ZDMBXUJBSA-N 298.364 0.374 0 50 CCAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)c1cnn(C)c1 266194266 NLRDYDYPCQEQMD-MRVPVSSYSA-N 297.384 0.810 0 50 CCAA O=S(=O)(CC1CCCC1)N1C[C@H]2CNC[C@]2(CO)C1 1772710939 UGUBISOABGOUDZ-CHWSQXEVSA-N 288.413 0.020 0 50 CCAA O=C(CCCN1CCOCC1)N1CCC[C@@H](C2(O)CC2)C1 1772816114 IOONUMWUUNOTAM-CQSZACIVSA-N 296.411 0.862 0 50 CCAA O=C(Nc1ccccc1)N1C[C@@H]2CNC[C@]2(CO)C1 1772709544 NYEXQLJHCZOXBJ-SMDDNHRTSA-N 261.325 0.732 0 50 CCAA COC(=O)c1ccccc1NC(=O)NN1CCN(C)CC1 5041826 ICPIUIDUNFCMSO-UHFFFAOYSA-N 292.339 0.757 0 50 CCAA NC(=O)c1cc(N2C[C@@H]3CC(=O)N[C@@H]3C2)nc2ccccc12 1857679287 SAPAFESMCSPHST-TVQRCGJNSA-N 296.330 0.658 0 50 CCAA C[C@@H]1OCC[C@H]1C(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 328628652 HKVNTEBWTNICNU-AEGPPILISA-N 296.411 0.981 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC(CC(=O)OC)CC1 900320967 OBMPOTOFAOZMLY-UHFFFAOYSA-N 296.367 0.823 0 50 CCAA Cn1cnc(CNC(=O)c2ccccc2CCC(=O)O)n1 911405661 IAKIIZHWDSSESC-UHFFFAOYSA-N 288.307 0.762 0 50 CCAA C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@@H](CO)C1 222130532 DQPCYQOGXPFDFG-JGVFFNPUSA-N 254.252 0.368 0 50 CCAA C[C@@H]1C[C@@H](C(=O)N2CCOC[C@@H]2CC(=O)O)CCO1 257708724 QXVMFBBSRISWHT-VWYCJHECSA-N 271.313 0.504 0 50 CCAA O=C(C[C@@H]1COCCN1)N1CCC(c2ncc[nH]2)CC1 72478950 LFMMIYDUCQRGRY-GFCCVEGCSA-N 278.356 0.494 0 50 CCAA COC1(CC(=O)N2CCNC(=O)C[C@H]2C)CCC1 369589454 YNKZXULXWVXZLW-SNVBAGLBSA-N 254.330 0.683 0 50 CCAA O=C(N[C@H]1COCC[C@@H]1O)c1cncc(Cl)c1 710909090 JOFXSTFLLKQZAP-UWVGGRQHSA-N 256.689 0.615 0 50 CCAA Cn1cnc2c[nH]c(=NCCCN3CCCC3=O)nc21 2100477258 XEGWCJQZYHSOAK-UHFFFAOYSA-N 274.328 0.210 0 50 CCAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2nc(=O)n(C)[nH]2)c1 2100483616 ASUMGAMIPAFOJM-SNVBAGLBSA-N 289.339 0.515 0 50 CCAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn2nncc2c1 2325780185 MOJBCCPATKNFQS-JLLWLGSASA-N 286.291 0.807 0 50 CCAA N[C@@H]1C=C[C@H](CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)C1 2325797522 BWFPOCAMBRZKQT-BJJXKVORSA-N 299.374 0.980 0 50 CCAA CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc(F)cc1 328784 OVTLVWLXMQKHGO-UHFFFAOYSA-N 286.328 0.870 0 50 CCAA O=C(O)CN1CC(=O)N(c2ccccc2)C1=S 395050 RKOKREQSBUSBRK-UHFFFAOYSA-N 250.279 0.705 0 50 CCAA Cc1cc(CC(=O)NC[C@H](O)c2cccc(O)n2)on1 2356135569 KMWXLLLQLNYPFQ-NSHDSACASA-N 277.280 0.476 0 50 CCAA CN(C)C(=O)[C@@H]1CN(Cc2ccn3ncnc3c2)CCO1 2356137078 FAODGCXXIYYUEO-LBPRGKRZSA-N 289.339 0.018 0 50 CCAA CCN(CC)c1nc(N)cc(N2CC[C@H](NC(C)=O)C2)n1 65459824 IYQDZSQZBHHFKQ-NSHDSACASA-N 292.387 0.620 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@]1(C)CCCO1 151304707 SXRFKTPEXZDGGF-ONGXEEELSA-N 263.359 0.447 0 50 CCAA COc1cc(C(=O)N2CC(=O)N(C)C2)cc(OC)c1C 330757946 YDYAFVOFDVUQTM-UHFFFAOYSA-N 278.308 0.884 0 50 CCAA C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCCCO2)C1=O 364138005 WZXRBYWGUUJBGF-ZDUSSCGKSA-N 281.312 0.261 0 50 CCAA CSCC(=O)N[C@H]1CN(CC(=O)O)C[C@@H]1C(C)C 219581499 DOANJAGZINDYSH-ZJUUUORDSA-N 274.386 0.507 0 50 CCAA CN1CCO[C@H](CN(CC(=N)O)C(=O)[C@H]2CCCOC2)C1 328638170 OZPGBMKVTPYGHI-RYUDHWBXSA-N 299.371 0.107 0 50 CCAA O=C(c1cnn2ncccc12)N1CCOC[C@@H]1c1nc[nH]n1 329151513 SLCILKBNMHAZDA-LLVKDONJSA-N 299.294 0.061 0 50 CCAA CC(C)c1nnc(COC2CN(C(=O)[C@H](O)C(C)C)C2)o1 606445815 QHAWWXXBMBAADE-GFCCVEGCSA-N 297.355 0.937 0 50 CCAA COCCN1CN(C(=O)N[C@@H](C)[C@@H]2CCCOC2)CC1=O 332744335 XZMKLXFWLKVXEH-NWDGAFQWSA-N 299.371 0.259 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(C(=O)c3nc4ccccc4[nH]3)C[C@H]21 217803299 JVVJVHONVMDFJR-VROVMSAKSA-N 271.276 0.966 0 50 CCAA Cc1cnc(C)c(N2CCC[C@](O)(CN(C)C)C2)n1 72418440 NYFDCQUWGGJDLN-AWEZNQCLSA-N 264.373 0.986 0 50 CCAA COCc1nc(CNC(=O)CSc2ncccn2)no1 223410113 VMRGXHLRVVBHCH-UHFFFAOYSA-N 295.324 0.415 0 50 CCAA O=C(O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 49467115 BRLPILKIHYVUJK-QMMMGPOBSA-N 292.247 0.310 0 50 CCAA biogenic Cc1nc(CC(=O)N[C@H](CO)Cc2ccc(O)cc2)n[nH]1 613161519 WTDYXSDVIVUQIO-NSHDSACASA-N 290.323 0.081 0 50 CCAA CN(C)c1noc(-c2cn(C3CCOCC3)nn2)n1 289604392 AAEIZLPYOMWDRT-UHFFFAOYSA-N 264.289 0.746 0 50 CCAA CCc1noc(CN(CC)C(=O)CN2CCN(C)C2=O)n1 426484819 PIKCTELPVMLJAU-UHFFFAOYSA-N 295.343 0.348 0 50 CCAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1c[nH]c(=O)[nH]1 220044123 HODYXJOXCNNUGZ-ZYHUDNBSSA-N 295.339 0.573 0 50 CCAA O=S(=O)(CC[C@H]1CCCO1)N1CC[C@@H](CO)C1 221715458 RMHWYGPHWFEKGT-GHMZBOCLSA-N 263.359 0.200 0 50 CCAA CN(Cc1ncc[nH]1)C(=O)NCCN1CCCC[C@@H]1CO 426387231 HTANPKQOBIJLRE-GFCCVEGCSA-N 295.387 0.398 0 50 CCAA Cc1noc(C(C)C)c1C(=O)N1CC(N2CCNC2=O)C1 335485628 NHWSUNBKJIWQKK-UHFFFAOYSA-N 292.339 0.956 0 50 CCAA C[C@H]1CN(C(=O)C2(NC(N)=O)CC2)Cc2ccccc2O1 294010276 YDPDLBWYGQFJRR-JTQLQIEISA-N 289.335 0.997 0 50 CCAA C[C@H](C(=O)NCc1nc(O)n[nH]1)N1CCCCC1 426441725 GYGRCZWDXJHJKG-MRVPVSSYSA-N 253.306 0.001 0 50 CCAA CN1CCCC[C@H]1CCC(=O)NCc1nc(C(N)=O)no1 95386648 CQWWGEYCFLLGTG-VIFPVBQESA-N 295.343 0.049 0 50 CCAA CCc1ncc(C(=O)NCCSc2nnnn2C)cn1 95375435 RSWKPXRLGBMGRU-UHFFFAOYSA-N 293.356 0.085 0 50 CCAA COCCN1C[C@H](NC(=O)Nc2cncc(C)c2)CC1=O 97370372 AGKXEFATYGFCOJ-GFCCVEGCSA-N 292.339 0.759 0 50 CCAA O=C(O)[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@H]1C1CC1 92038616 ZBUWZPVNXCGLIJ-NWDGAFQWSA-N 296.348 0.813 0 50 CCAA CNC(=O)c1ccc(Cn2cc([C@H]3CCOC3)nn2)o1 92036701 PUAZKBJDZXQDIH-VIFPVBQESA-N 276.296 0.783 0 50 CCAA CCn1cc(NC(=O)N[C@@H](C)c2ncnn2CC)nn1 96165324 MAFVZYNMJUCEKI-QMMMGPOBSA-N 278.320 0.792 0 50 CCAA Nc1nnc(CCCNC(=O)COc2cccnc2)s1 243957091 CFMCMMRZRVNYHA-UHFFFAOYSA-N 293.352 0.643 0 50 CCAA CNC[C@@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 299738723 FNSHXRXDIHSSEG-ZDUSSCGKSA-N 287.407 0.941 0 50 CCAA Cc1ccc(CC(=O)N2CCOC[C@H]2C(=O)O)s1 268992442 SZMVAKGXDBWJMA-JTQLQIEISA-N 269.322 0.911 0 50 CCAA CN1CCCC[C@H]1CC(=O)NCCN1CCC(CO)CC1 534590945 RVKKXLVTJRACJE-HNNXBMFYSA-N 297.443 0.681 0 50 CCAA CC(C)[C@@H](NS(=O)(=O)c1cn(C)cn1)c1ncnn1C 534672419 FTCNBRVJPGFNDT-SNVBAGLBSA-N 298.372 0.224 0 50 CCAA Cc1nnc(CNC(=O)CN(C)Cc2cccnc2)o1 823715227 YDSKPHWVYKADST-UHFFFAOYSA-N 275.312 0.521 0 50 CCAA CCCc1nc(-c2nc(CC(N)=O)nn2CCO)cs1 823024179 CZAQPGPOHCKDQQ-UHFFFAOYSA-N 295.368 0.374 0 50 CCAA C[C@@H](CNC(=O)C1(C(=O)O)C(C)(C)C1(C)C)C(=O)O 585134786 JWBBXMMFZUQIEE-ZETCQYMHSA-N 271.313 0.960 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)c1ncoc1C 584885105 CNOHXBSJJADMKH-MRVPVSSYSA-N 279.300 0.712 0 50 CCAA Cc1cnc(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3N2)c(C)c1 1553407090 FZJFDVNWNHJMOS-KKUMJFAQSA-N 289.379 0.877 0 50 CCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)CCc1ccoc1)C2 952851115 UQCYDCHINAVKND-DOMZBBRYSA-N 292.335 0.563 0 50 CCAA Cc1ccc2cc(C(=O)N3C[C@@H](N)[C@H](N)C3)cnc2c1 1875287511 MIACMUJLHLQRMC-CHWSQXEVSA-N 270.336 0.654 0 50 CCAA CCOC[C@H](C)CS(=O)(=O)NCCc1cnoc1 877870776 FKTSRGPZBAIHHE-JTQLQIEISA-N 276.358 0.809 0 50 CCAA CC(C)[C@@H]1C=CCN1C(=O)[C@H]1CCCN(CC(N)=O)C1 952869480 LJSJMRORFIPRHS-STQMWFEESA-N 279.384 0.607 0 50 CCAA CC(C)S(=O)(=O)N1CCC[C@@](CO)(CN(C)C)C1 952871713 CDTXVKBXJJHQDK-GFCCVEGCSA-N 278.418 0.361 0 50 CCAA CC(=O)N[C@H]1CN(Cc2cc(O)nc(O)n2)C[C@@H]1C(C)C 1565526924 VNVZMNHORQSOKT-NEPJUHHUSA-N 294.355 0.480 0 50 CCAA C[C@@H]1C(=O)N(C[C@@H](O)CC(F)(F)F)C(=O)[C@H]1C 249493159 VPHIJKVDTOHGHM-ACZMJKKPSA-N 253.220 0.941 0 50 CCAA CN(C)C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 272111585 NMKXLRDYPBPYLV-UHFFFAOYSA-N 298.364 0.392 0 50 CCAA C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)CNC(=O)CN 274450071 SHVOHWRIPFCTLA-GXTWGEPZSA-N 289.379 0.541 0 50 CCAA O=S1(=O)CCC[C@H](NS(=O)(=O)c2ccco2)C1 408442641 KGTJJSSYJOSRPP-QMMMGPOBSA-N 279.339 0.135 0 50 CCAA CO[C@H](C(=O)Nc1ccn(CC(=O)O)n1)C1CCC1 663144425 BZFBBWXHFGCLMU-NSHDSACASA-N 267.285 0.721 0 50 CCAA CC[C@@H](C)[C@@H]1NC(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 886025658 QIRJYLMDLCIDRD-HLTSFMKQSA-N 274.342 0.140 0 50 CCAA CCOCCC(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704351412 IHQLHVUQLFVSKA-DGCLKSJQSA-N 279.340 0.265 0 50 CCAA Cc1nc(CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)n(C)c1C 1772704431 IRMFGPOCJDULQZ-DOMZBBRYSA-N 293.367 0.960 0 50 CCAA CCn1ccc(C(=O)N2CCC([C@@H](O)CO)CC2)cc1=O 1772813006 SRGHMEJGYLDJGI-ZDUSSCGKSA-N 294.351 0.074 0 50 CCAA Cc1ccc(Cn2c(N)nc3c2c(=O)n(C)c(=O)n3C)cc1 12999751 SDYMUKSXRNKJDH-UHFFFAOYSA-N 299.334 0.373 0 50 CCAA CN1CCN(C(=S)NC(=O)c2ccccc2)CC1 19720943 VMGFUNOZLVTEPX-UHFFFAOYSA-N 263.366 0.949 0 50 CCAA Nc1ncc(S(=O)(=O)O)cc1Br 1792791 AQPIHLQSXPSMHZ-UHFFFAOYSA-N 253.077 0.673 0 50 CCAA in-vitro CN1CCOc2cc(C(=O)N3C[C@@H]4C[C@H]3C(=O)N4)ccc21 1857667310 OLZLAIZXBFWWMS-JQWIXIFHSA-N 287.319 0.228 0 50 CCAA CO[C@@H]1C[C@@H](c2nc(C)nn2-c2cnn(C)c2)CC[C@H]1N 1857740907 SJDUJLHXTYPBBN-CYZMBNFOSA-N 290.371 0.919 0 50 CCAA Cc1noc([C@@H]2[C@@H](C)OCCN2S(=O)(=O)C2CC2)n1 408030921 OKZALBCQADGBJZ-XCBNKYQSSA-N 287.341 0.632 0 50 CCAA CCC(CC)(CNC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)O 164982660 VPPTUSDWTCIKQE-JTQLQIEISA-N 299.371 0.784 0 50 CCAA CCN(CC)C(=O)Cn1cnc2c(cnn2C2CC2)c1=O 919364371 AGGXDJDGPPNETH-UHFFFAOYSA-N 289.339 0.796 0 50 CCAA NS(=O)(=O)C[C@H]1CCCCN1Cc1ccon1 931229346 QJTVLOFNILZBAF-SNVBAGLBSA-N 259.331 0.318 0 50 CCAA C[C@@H]1CN(Cc2nnn(C)n2)CCN1c1ccccc1 934321885 HYNAGEBWYQZKGB-GFCCVEGCSA-N 272.356 0.921 0 50 CCAA CC1(C)CCCN(C(=O)CN2CCNCC2=O)C1 152128329 SLLMJNOQBXUNDT-UHFFFAOYSA-N 253.346 0.067 0 50 CCAA CN(C)[C@H]1CN(C(=O)Cc2cccs2)C[C@@H]1O 554898446 DPOHDQSPLLOOER-QWRGUYRKSA-N 254.355 0.424 0 50 CCAA CCCc1nc(CN(C)CCn2cnnc2)no1 670448972 VDBFKCWQGRCEOR-UHFFFAOYSA-N 250.306 0.746 0 50 CCAA CC(C)N1C(=O)N[C@@]2(CCN(CCC(C)(C)O)C2)C1=O 370159145 BNAMWJCNSJJZQP-CQSZACIVSA-N 283.372 0.552 0 50 CCAA NC(=O)c1nc(CNC(=O)N2CCCCCC2)no1 584902086 HUVQERFPCPNBJR-UHFFFAOYSA-N 267.289 0.254 0 50 CCAA COC(=O)c1cnc(N2CC[C@H](CCN)C2)nc1 900376614 XMMNQLQSWHAXIC-VIFPVBQESA-N 250.302 0.438 0 50 CCAA COc1ccc(CN2CC3(CNC(=O)N3)C2)cc1F 824721346 CPJCXNKXSSEAEO-UHFFFAOYSA-N 265.288 0.702 0 50 CCAA O[C@H]1CNC[C@@H]1Nc1nnc(-c2ccccc2)s1 1565529333 QQIOOCULQHEJCR-UWVGGRQHSA-N 262.338 0.950 0 50 CCAA CCCn1cnc(S(=O)(=O)N2CC=C[C@H]2C(=O)O)c1 2325765455 GCJUXQFTPHJFHM-VIFPVBQESA-N 285.325 0.307 0 50 CCAA O=C(N[C@H]1C[C@H](n2ccnn2)C1)c1cnn2cccnc12 2325804008 ORGIIDIGNZAGLP-MGCOHNPYSA-N 283.295 0.454 0 50 CCAA O=C(c1cc(F)c(O)c(F)c1)N(Cc1nn[nH]n1)C1CC1 2325806714 CAKFXGWSCBGUBJ-UHFFFAOYSA-N 295.249 0.988 0 50 CCAA Cc1cc(C)c(S(N)(=O)=O)c(C)c1-n1cnnn1 1013285 FGOUZHWQYGHHTB-UHFFFAOYSA-N 267.314 0.235 0 50 CCAA COc1ccccc1N(CC(=O)O)S(C)(=O)=O 6470789 BWYCFVHZEIJZOE-UHFFFAOYSA-N 259.283 0.546 0 50 CCAA CN1CC[C@@H](Nc2cccc(NS(C)(=O)=O)c2)C1=O 116386680 ZFDQAAXEODDKDN-LLVKDONJSA-N 283.353 0.701 0 50 CCAA COCCn1ccnc1CN1CCN(C)C(=O)[C@@H]1C 67787437 QUUFQRVNQIPCDG-NSHDSACASA-N 266.345 0.192 0 50 CCAA CN(CC1(CO)CCCC1)C(=O)c1c[nH]c(=O)[nH]1 67909586 LTOCZXILUUUGOM-UHFFFAOYSA-N 253.302 0.328 0 50 CCAA COC(=O)[C@@H]1COC[C@@H](OC)N1C(=O)OC(C)(C)C 118552383 CSKNBUYMLWBSIE-DTWKUNHWSA-N 275.301 0.768 0 50 CCAA CCNC(=O)c1ccc(NCCc2ncnn2C)nc1 301551960 HGOKSYOGBXYRKF-UHFFFAOYSA-N 274.328 0.614 0 50 CCAA Cc1cnn(C[C@@H]2CCCN2C[C@@H](O)Cn2cccn2)c1 229533356 CWUCRLACRHTBTM-LSDHHAIUSA-N 289.383 0.914 0 50 CCAA CN(C[C@H]1CCCO1)C(=O)C(C)(C)S(C)(=O)=O 355171882 OVFCLIRPYQEXON-SECBINFHSA-N 263.359 0.447 0 50 CCAA NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)cn1 355224710 MYJGVCDPMVVWCG-VIFPVBQESA-N 285.250 0.773 0 50 CCAA Cc1nc(Cn2ncc(N3CCOCC3)cc2=O)cs1 32561820 DTZXIMJNOAKDCY-UHFFFAOYSA-N 292.364 0.893 0 50 CCAA Cn1cc([C@@]2(C)CN(C(=O)[C@H]3CCCN3)CCO2)cn1 237710508 GVMAGHCMLGPOOC-TZMCWYRMSA-N 278.356 0.246 0 50 CCAA Cc1cnc(C(=O)N(C)[C@H](C)C[S@](C)=O)c(O)c1 331190074 JWOKILMEIRNXJZ-LZVRBXCZSA-N 270.354 0.935 0 50 CCAA Cn1ccc(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1 331930426 NQNVPCOGBFECPN-AWEZNQCLSA-N 291.355 0.230 0 50 CCAA CC1(C)[C@@H]2CN(C(=O)CN3CSCC3=O)C[C@H]21 174099494 KUWXOBDUBVZJGN-RKDXNWHRSA-N 254.355 0.634 0 50 CCAA C[C@H](O)C(=O)N1CCN(c2ncnc3c2CCCC3)CC1 362117984 KZTQNRNXEOXUIR-NSHDSACASA-N 290.367 0.385 0 50 CCAA CNC(=O)c1ccc(N2C[C@@H](OC)C[C@H]2COC)nn1 284453832 DCPWFHHUDREBPO-UWVGGRQHSA-N 280.328 0.076 0 50 CCAA NC(=O)c1csc(C(=O)N2CCC[C@H]2C(=O)O)c1 237740031 FCWLWFTYCCTVFW-ZETCQYMHSA-N 268.294 0.536 0 50 CCAA O=C(CO)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 72172620 BLGPXKGPIAYTRE-GFCCVEGCSA-N 280.299 0.078 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1CC[C@](C)(C(=O)O)C1 262134134 ONCLEDGPAFQQQM-NSHDSACASA-N 287.341 0.214 0 50 CCAA NCc1ccc2c(c1)CCCN2C(=O)C[C@H]1COCCN1 262282589 XJTPAWRUWROGSM-AWEZNQCLSA-N 289.379 0.803 0 50 CCAA O=C(N1CCn2cnnc2C1)[C@@]1(O)CCc2ccccc2C1 375050105 HAPYMPGKZXQMAX-MRXNPFEDSA-N 298.346 0.540 0 50 CCAA CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ncc[nH]1 381045871 XDAFXJNHYXZTGD-JTQLQIEISA-N 272.374 0.515 0 50 CCAA CN1CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CC1=O 613261664 NOYAOYXVOVYMJN-ZYHUDNBSSA-N 292.339 0.146 0 50 CCAA CSc1nc(N)cc(N2CC[C@@]3(CC(=O)NC3=O)C2)n1 82096210 CXQUVKCDDSWCLT-GFCCVEGCSA-N 293.352 0.024 0 50 CCAA CSC[C@H](NC(=O)c1c2c(nn1C)CCCC2)C(=O)O 426472616 CYUSNLMZDUUQDI-JTQLQIEISA-N 297.380 0.845 0 50 CCAA Cc1[nH]nc(O)c1CC(=O)N1CCC(c2ncon2)CC1 426739136 XZNPJGNLMJGGRK-UHFFFAOYSA-N 291.311 0.755 0 50 CCAA c1cnc(N2CCCO[C@H](CN3CCOCC3)C2)nc1 91536305 UYHBDXXBWLVXFG-CYBMUJFWSA-N 278.356 0.404 0 50 CCAA C[C@@H](C(=O)NCc1nc(-c2cnccn2)n[nH]1)n1cccn1 426379741 NGGKFJNTRGQPDR-VIFPVBQESA-N 298.310 0.336 0 50 CCAA NC(=O)c1ccc(-c2cc(NCCO)ncn2)cc1 97578744 CNXGXJMXFDPGLT-UHFFFAOYSA-N 258.281 0.647 0 50 CCAA CCCOC[C@@H]1CCN(C(=O)c2cnc(C)[nH]c2=O)C1 91745205 JJWXAEVARZZFLE-LLVKDONJSA-N 279.340 0.967 0 50 CCAA O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CCOC1 257671769 IQBYCNMSRVRRMW-MNOVXSKESA-N 264.281 0.230 0 50 CCAA C[C@H](Cc1ccccc1F)NC(=O)[C@@H]1C[C@@H](O)CN1 299750323 NBUUAXZZUJUDLS-XWIASGKRSA-N 266.316 0.596 0 50 CCAA Cc1nc(C)c(CC(=O)N[C@H]2CNCC[C@H]2O)s1 534575223 HHPWXJIMLBHAGK-VHSXEESVSA-N 269.370 0.141 0 50 CCAA CCc1nc(CNC(=O)[C@H]2NCCc3nc[nH]c32)cs1 534658093 TVNZTXIWLAUKLL-LBPRGKRZSA-N 291.380 0.932 0 50 CCAA Cc1csc(CCCNC(=O)[C@@H]2C[C@@H](O)CN2)n1 299768966 KOMCNCYRFVKWOL-ZJUUUORDSA-N 269.370 0.223 0 50 CCAA CN1CCN(S(=O)(=O)NC(C2CC2)C2CC2)CC1 823791317 ZMEONHDBKAXSFB-UHFFFAOYSA-N 273.402 0.257 0 50 CCAA Cc1nn[nH]c1C(=O)N(C)C[C@H]1CCCCN1C 584892742 FNEIRAZPBKDZRF-SNVBAGLBSA-N 251.334 0.669 0 50 CCAA COc1nc(N2CC[C@H](N(C)C)[C@@H](O)C2)ncc1F 670447823 LBGIZXNODSEWHV-UWVGGRQHSA-N 270.308 0.126 0 50 CCAA C[C@H]1CN(c2nc(C(F)(F)F)ns2)CC(=O)N1 580156129 VCDUWZCILPLFOL-BYPYZUCNSA-N 266.248 0.882 0 50 CCAA NCCNC(=O)[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 1875268378 NVYGEUHFOSXOKD-SNVBAGLBSA-N 288.355 0.249 0 50 CCAA Cc1ccccc1OC[C@H](O)CN(C)CC(CO)CO 1875275242 IJXHNAQYZNIOHR-CQSZACIVSA-N 283.368 0.267 0 50 CCAA O=C(Cc1cn2ccccc2n1)NO[C@@H]1CCOC1 1875259403 HXZLUMUNBFLQNS-LLVKDONJSA-N 261.281 0.714 0 50 CCAA FC(F)(F)[C@@]1(c2nnn(CC3COC3)n2)CCCN1 1875304357 IDVHIOFAXQHTIZ-VIFPVBQESA-N 277.250 0.461 0 50 CCAA O=C(N[C@@H]1C[C@H]2C[C@@H](C(=O)O)C[C@H]21)[C@@H]1COCCO1 1875306202 XERNPUHKNCAZSJ-ILAIQSSSSA-N 269.297 0.017 0 50 CCAA C[C@H](NC(=O)c1cnc(C2CCNCC2)nc1)C(=O)O 1875346337 ALLZVKWNXZUPSD-QMMMGPOBSA-N 278.312 0.147 0 50 CCAA Cc1cccn2c(CC(=O)N3C[C@@H](O)[C@H](F)C3)cnc12 952871793 BNHMDCFUQNAMTO-VXGBXAGGSA-N 277.299 0.726 0 50 CCAA CN(Cc1cnn(C)c1C1CC1)[C@]1(CO)CCOC1 895539200 UIBHQKKWYMWPEO-AWEZNQCLSA-N 265.357 0.881 0 50 CCAA COC(=O)c1cc(CN(C)C(=O)C2(O)COC2)oc1C 1361751274 QACNZYDOALSWHE-UHFFFAOYSA-N 283.280 0.094 0 50 CCAA Cc1ccc(S(=O)(=O)NCC(F)(F)CO)s1 170082118 XSQDXSVNHCXAGU-UHFFFAOYSA-N 271.310 0.962 0 50 CCAA CCN(CC)C(=O)[C@@H](NC(=O)C(=O)O)c1ccccc1 170596108 VCQYVDKQRFUENO-NSHDSACASA-N 278.308 0.797 0 50 CCAA O=C(C1CCC1)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076075064 OXENAJPYGBPRMH-NEPJUHHUSA-N 262.313 0.750 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1ccn(C)c1 643763730 GIYZXCNBPIZWFP-CYBMUJFWSA-N 251.330 0.491 0 50 CCAA CCN(C(=O)/C=C/c1cnc(N)nc1)[C@H](C)CO 1506431242 GUPHMGXVOUCKEB-XNPJLODASA-N 250.302 0.301 0 50 CCAA CO[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CC2)CC1(C)C 1615590803 PSHKNCVLJZHNCS-JTQLQIEISA-N 289.397 0.837 0 50 CCAA Cn1cccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1=O 1615554017 JEVIWWNTUOCBPN-ZIAGYGMSSA-N 283.331 0.740 0 50 CCAA O=C(O)CS(=O)(=O)CC(=O)Nc1ccc(F)cc1 11757372 WAQNSFPXMZRRRR-UHFFFAOYSA-N 275.257 0.264 0 50 CCAA CC(C)CN1CCC(C(=O)NCCN2CCOCC2)CC1 5613873 BESCIXDGKJSCLP-UHFFFAOYSA-N 297.443 0.803 0 50 CCAA CC(C)(CO)Cc1cn(C[C@H]2CCC3(COC3)O2)nn1 900602992 FQZKPOZMIFHLFB-GFCCVEGCSA-N 281.356 0.787 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@]2(COC[C@H](C(=O)O)O2)C1 1857783382 JJLFIJNUCLZNAK-NOZJJQNGSA-N 287.312 0.866 0 50 CCAA CSCC[C@H](O)C(=O)NCCCc1cnn(C)c1 220527904 RZSMLYDZIUZBIZ-NSHDSACASA-N 271.386 0.583 0 50 CCAA Nc1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)[nH]n1 168456651 RQUGXGKRQJQLCQ-ZANVPECISA-N 264.329 0.759 0 50 CCAA COCc1noc(CN2CCO[C@H](C3CC3)C2)n1 363770859 CFWKDTGJWWAGJU-JTQLQIEISA-N 253.302 0.827 0 50 CCAA NS(=O)(=O)C[C@H]1CCN(C(=O)C2CC=CC2)C1 1119995189 NJBOWMOCFWJVSD-VIFPVBQESA-N 258.343 0.090 0 50 CCAA CCN(CC)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 2969506 HWXDKQRFRTVUBK-UHFFFAOYSA-N 296.348 0.700 0 50 CCAA Cc1ccc(O)c(CN2CCN([C@H]3CCOC3)C(=O)C2)n1 2325803860 HBECDJIGAYKXRN-LBPRGKRZSA-N 291.351 0.529 0 50 CCAA CCc1cccnc1C(=O)N(CC)Cc1nn[nH]n1 2325806860 LKKDNAJPXNVSBA-UHFFFAOYSA-N 260.301 0.819 0 50 CCAA CC[C@](C)(O)c1nnn(-c2nonc2N)c1[C@](C)(O)CC 274473 PYZJFRNVKPZAAR-NWDGAFQWSA-N 296.331 0.468 0 50 CCAA CCc1cc(C(=O)N2CCC[C@]23CCCNC3=O)n[nH]1 2356135179 SIKUCHSKVGABAD-AWEZNQCLSA-N 276.340 0.857 0 50 CCAA CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1 2852422 AZHSCRIVDIKZOF-SNVBAGLBSA-N 250.298 0.821 0 50 CCAA CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 4834502 ZZASHMHEVOIKAA-UHFFFAOYSA-N 298.364 0.376 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@@H](n2cc(CN(C)C)nn2)CN1 67834411 ZRWXTUVEGCGJCK-OLZOCXBDSA-N 294.403 0.111 0 50 CCAA C[C@@H]1[C@@H](NC(=O)COC(=O)[C@H]2COCCO2)CCC[C@H]1C 252586288 ORDUZGFPWKMNGQ-MROQNXINSA-N 299.367 0.886 0 50 CCAA COCCS(=O)(=O)NC(=O)c1scnc1C1CC1 128226417 NTOCSUGPCHSYRM-UHFFFAOYSA-N 290.366 0.727 0 50 CCAA CN(C)c1ncc(CN2CCN(C)[C@@H](CCO)C2)s1 39557859 KDCFQULAFKWGSX-NSHDSACASA-N 284.429 0.708 0 50 CCAA CN1CCO[C@H](CN(CC(=N)O)C(=O)[C@H]2C[C@@H]2C2CC2)C1 328626269 DZANNEDMUJNOBW-XQQFMLRXSA-N 295.383 0.727 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)Cc1cccnc1 128289089 RUGUNQITULNFHA-LLVKDONJSA-N 264.281 0.326 0 50 CCAA CN1CCN(C(=O)c2c[nH]c(=O)[nH]2)C[C@H]1c1ccccc1 215444652 CYAWVEIFNJSWNX-ZDUSSCGKSA-N 286.335 0.832 0 50 CCAA CN1CC[C@H](C(=O)NCC(C)(C)C(=O)O)CC1=O 124770900 USZLDDWOKCMQJK-QMMMGPOBSA-N 256.302 0.082 0 50 CCAA Cc1cc(N)n(CC(=O)N(C)Cc2n[nH]c3c2CCC3)n1 219210682 HUEJMXIDXDYZJQ-UHFFFAOYSA-N 288.355 0.644 0 50 CCAA Cn1nccc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 331368174 BWEVRAIRFRQUSG-LLVKDONJSA-N 274.328 0.564 0 50 CCAA O=C1CCC(C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)=NN1 369844365 CCGKRZSETPCFPH-RYUDHWBXSA-N 293.367 0.918 0 50 CCAA COc1ccc(Cl)cc1S(=O)(=O)N1CCNCC1 34682023 AROSEUNOEYMHLM-UHFFFAOYSA-N 290.772 0.943 0 50 CCAA Cc1nnc(CN2C[C@H]3[C@@H](C2)OCCN3C)n1C1CC1 131028936 SMGWSUBFKQUNLJ-QWHCGFSZSA-N 277.372 0.436 0 50 CCAA CN(CCn1ccnc1)c1cc(C2CC(N)C2)nc(N)n1 222742389 KSOFVWSBUORSIU-UHFFFAOYSA-N 287.371 0.596 0 50 CCAA CC1(CNC(=O)C2=NNC(=O)CC2)CCOCC1 227819074 TVQOIXUXUJBEFC-UHFFFAOYSA-N 253.302 0.185 0 50 CCAA OC[C@H]1CN(Cc2ncc[nH]2)C[C@H]1CN1CCCCC1 91951720 NPLHBIQRRJRINP-ZIAGYGMSSA-N 278.400 0.936 0 50 CCAA CCCn1cnnc1Cn1cc([C@H]2CCOC2)nn1 91738450 WCBDYTXNGYIZQB-JTQLQIEISA-N 262.317 0.832 0 50 CCAA CC1=NO[C@](C)(C(=O)NCCCn2ccnn2)C1 244626610 FPAIXLHSKXJOQR-NSHDSACASA-N 251.290 0.339 0 50 CCAA Cn1ccnc1CCNC(=O)CCN1CCCCC1=O 243900874 AWQFCGYEHVLPKW-UHFFFAOYSA-N 278.356 0.481 0 50 CCAA CN(C)C/C=C/C(=O)N1CC(=O)N(CCC(F)(F)F)C1 296959964 PJNQJPNFTBXXFB-ONEGZZNKSA-N 293.289 0.685 0 50 CCAA CNC(=O)c1cccc(CCNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1 299749693 LIYQLCRPPWFLSU-NEPJUHHUSA-N 290.319 0.426 0 50 CCAA O=C(CCCn1cnnn1)NCc1cccc(CO)c1 534676047 CWMBOYDGSHELIW-UHFFFAOYSA-N 275.312 0.262 0 50 CCAA CC(=O)N1CCC[C@H](NC(=O)c2[nH]cnc2C)C1 534655261 NWDDOBSFKMLMEN-JTQLQIEISA-N 250.302 0.459 0 50 CCAA CN(Cc1ccco1)C(=O)CN1C[C@H](F)C[C@H]1C(N)=O 285549798 SWHPLLIYWFTCCN-KOLCDFICSA-N 283.303 0.136 0 50 CCAA Cn1cccc1CCNC(=O)[C@@H]1CCCN1S(C)(=O)=O 299802261 SKCGTRVPMJAEBM-LBPRGKRZSA-N 299.396 0.108 0 50 CCAA CCCN1C[C@H](NC(=O)c2cc(O)ccc2N)CC1=O 822919074 BDJRKVMGVPPZFW-SECBINFHSA-N 277.324 0.715 0 50 CCAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)C1=NNC(=O)CC1 584889209 DUISLFNLNJCZKJ-ZCFIWIBFSA-N 263.301 0.470 0 50 CCAA CN(C[C@H]1CCCN(CCO)C1)C(=O)c1cncnc1 584893732 JEVQKPKWLNHDLZ-GFCCVEGCSA-N 278.356 0.253 0 50 CCAA CCOC(C)(C)C(=O)N1CC[C@@H](N2CCN(C)CC2)C1 670435227 OYOLVHWVPBHNFI-CYBMUJFWSA-N 283.416 0.650 0 50 CCAA Cc1nc2c([nH]1)CN(C(=O)[C@@H](C)Cn1cncn1)CC2 670451684 LKLVVXQUHIVHIB-VIFPVBQESA-N 274.328 0.531 0 50 CCAA CCN(C)C(=O)Cn1nnnc1N1CCC[C@H](C)[C@H]1C 685945076 RYYFAZGDSGNHCC-WDEREUQCSA-N 280.376 0.776 0 50 CCAA O=C(COCC1CC1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875403655 XMAXPZUQCZSLSP-BFHYXJOUSA-N 293.367 0.565 0 50 CCAA CC(C)n1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](N)C2)cn1 952887591 TUEDGRYHZNSFCS-NEPJUHHUSA-N 289.343 0.080 0 50 CCAA CO[C@@H]1CCNC[C@H]1C(=O)NC[C@H](N)c1ccc(C)cc1 1875315738 GEDGNRZCKOOAQJ-QLFBSQMISA-N 291.395 0.736 0 50 CCAA CS(=O)(=O)NC(=O)CCc1nc(-c2ccncc2)no1 1875390380 FKFGGVUWUKGUFN-UHFFFAOYSA-N 296.308 0.140 0 50 CCAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1nc(C2CC2)no1 888097809 PJWNZJZWGYTHKI-NXEZZACHSA-N 293.323 0.607 0 50 CCAA CCc1cc(NCC23COCCN2CCOC3)nc(C)n1 894803125 YLRXHQWQOYCKRS-UHFFFAOYSA-N 292.383 0.861 0 50 CCAA O=C1CC[C@@H](N2Cc3cc(C(=O)O)ccc3C2=O)C(=O)N1 958536054 BMBNTSFSFRJPGO-SNVBAGLBSA-N 288.259 0.146 0 50 CCAA CNC(=O)c1ccc(C(=O)NCC2=CCN(C)CC2)cn1 271893559 FJPLTDVJZXWQBC-UHFFFAOYSA-N 288.351 0.433 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC[C@H]1C(=O)N(C)C 900041084 YCQWFDJBNQHIAK-NSHDSACASA-N 281.356 0.100 0 50 CCAA CCc1ncc(C(=O)N2C[C@H]3CCCN[C@H]3C2)cn1 1565525959 RGGBPKRCRVXUNM-PWSUYJOCSA-N 260.341 0.863 0 50 CCAA CNC(=O)c1ccsc1NC(=O)N[C@@H](C(N)=O)C(C)C 1365532794 GSKSRODQDLXRAP-MRVPVSSYSA-N 298.368 0.739 0 50 CCAA O=C([C@H]1CSCN1)N1CCC[C@@H](Cn2cncn2)C1 168579615 YETJDLDSVWJWTQ-GHMZBOCLSA-N 281.385 0.179 0 50 CCAA COC(=O)[C@H]1CCn2c(nnc2C(=O)NC(C)C)C1 601045287 UXQURXUXLQOUCG-QMMMGPOBSA-N 266.301 0.152 0 50 CCAA CC(=O)NC[C@H]1CN(Cc2ccn(C(C)C)n2)CCO1 172184292 VWZCDBKHNQRSIY-AWEZNQCLSA-N 280.372 0.801 0 50 CCAA CC1(C(=O)NS(=O)(=O)c2cnc3n2CCC3)CCC1 408017141 LEYIXNAFUXPRQG-UHFFFAOYSA-N 283.353 0.824 0 50 CCAA C[C@@H]1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)C[C@H]1O 408187799 AFYBAESXTSMUIJ-JTNHKYCSSA-N 268.357 0.665 0 50 CCAA Cc1nnc(CC(=O)N2CCO[C@@H](C(C)C)C2)o1 408360221 SDVOBUBXYQOYAL-SNVBAGLBSA-N 253.302 0.804 0 50 CCAA CC(C)[C@H]1OCCC[C@@H]1C(=O)NCc1cncnc1N 408474646 ITNCEUBABYTGNP-NWDGAFQWSA-N 278.356 1.126 0 50 CCAA O=C(COC[C@H]1CCCO1)Nc1cnc2nccn2c1 585126370 XNNROBHWXFRSIG-LLVKDONJSA-N 276.296 0.863 0 50 CCAA C[C@H]1OCCC[C@@H]1C(=O)N(C)CC1(O)CCOCC1 190731630 LJAMRPJQGRQOPO-NEPJUHHUSA-N 271.357 0.801 0 50 CCAA Cn1ccc(C(=O)N[C@H](CC(=O)O)C(F)(F)F)cc1=O 829362108 HVXFOJGKZQGAQJ-SSDOTTSWSA-N 292.213 0.521 0 50 CCAA C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccccn1 195555179 FCKLUGLMINZLSO-GHMZBOCLSA-N 269.370 0.972 0 50 CCAA O=C(NN1CCCNC1=O)c1ccnc(C2CC2)n1 783606609 VZEVEOQFLKJPMJ-UHFFFAOYSA-N 261.285 0.414 0 50 CCAA Cc1noc(COC2CN(C(=O)C[C@H]3CCCO3)C2)n1 644208702 DGOPYSWXQHQWIU-SNVBAGLBSA-N 281.312 0.675 0 50 CCAA Cc1nc(=NCCCc2nnc3ccccn23)n(C)[nH]1 1704299761 SNZWSDZJCTVDIC-UHFFFAOYSA-N 271.328 0.633 0 50 CCAA Cc1ccc(F)cc1CC(=O)N1CC[C@@H](O)[C@@H](C(=O)O)C1 1704344845 PDPUMTHRSSBKCI-QWHCGFSZSA-N 295.310 0.971 0 50 CCAA Cc1c(Cl)cccc1N(CC(N)=O)S(C)(=O)=O 379988 BDPWSWJUEJKYPT-UHFFFAOYSA-N 276.745 0.900 0 50 CCAA O=S(=O)(c1cccnc1)N1C[C@@H](F)C[C@H]1CO 372423922 BIFPEKFEJGXUSP-IUCAKERBSA-N 260.290 0.175 0 50 CCAA O=C(CCOc1ccccc1)N[C@H]1CCNC[C@@H]1O 216393397 NGFSEXSEUPCKTR-STQMWFEESA-N 264.325 0.295 0 50 CCAA O=C(OCCNC(=O)c1cccnc1)C1=COCCO1 5568412 PHMLHOYUKWSFGZ-UHFFFAOYSA-N 278.264 0.243 0 50 CCAA CC(=O)Nc1ccc(NC(=O)C(=O)NC2CC2)cc1 4857915 WUWGBBFBLFANLE-UHFFFAOYSA-N 261.281 0.862 0 50 CCAA COc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)cn1 1857718306 SFDNAINTVWUXHD-DRZSPHRISA-N 291.351 0.682 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(Cc1nccs1)C2 1875246655 JGLQOZYSQYOFRW-BDAKNGLRSA-N 253.327 0.090 0 50 CCAA COCCn1nnnc1NC(=O)[C@H]1CC=CCC1 906299473 CVULFSUCCVNZGS-VIFPVBQESA-N 251.290 0.614 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC[C@H]1CC(=O)N(CCC)C1 911173350 KVNBWTGGOUOIPF-GFCCVEGCSA-N 295.383 0.396 0 50 CCAA CCn1nc(C)c(CN2Cc3nc(C)nc(O)c3C2)n1 931313297 GJNASCJXZFZFER-UHFFFAOYSA-N 274.328 0.926 0 50 CCAA Cc1nc2n(c1C)CCN(C[C@H](O)Cn1cccn1)C2 364428319 YGRGXLSWEOXKOF-ZDUSSCGKSA-N 275.356 0.573 0 50 CCAA NC[C@@H]1CCCN1c1ccc2nnc(C3CC3)n2n1 2325772730 WRLXKHFNDZDFSL-JTQLQIEISA-N 258.329 0.929 0 50 CCAA C[C@@]1(NC(=S)N2CCCCC2)CCS(=O)(=O)C1 4304899 OUEDVPAHPMHGMJ-LLVKDONJSA-N 276.427 0.924 0 50 CCAA c1cncc([C@@H](Cn2cnnc2)N2CCOCC2)c1 65406823 MHSXJFJTBCVNBK-CYBMUJFWSA-N 259.313 0.747 0 50 CCAA CN1CC(=O)N2CCN(C3Cc4ccccc4C3)C[C@@H]2C1=O 65407236 PELTVRVRQDYYDG-OAHLLOKOSA-N 299.374 0.139 0 50 CCAA COC[C@]1(C)CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 332737226 WVWAPORPDCTWEM-IJLUTSLNSA-N 277.386 0.852 0 50 CCAA C[C@H](CN(C)C(=O)[C@@H]1CCC(C)(C)O1)c1nn[nH]n1 330315771 PSFLOGSZDDEYQI-BDAKNGLRSA-N 267.333 0.719 0 50 CCAA C[C@@H]1CN(C(=O)C2(N)Cc3ccccc3C2)C[C@@H](C)N1 153419790 HQOHGGDBFIKNCI-VXGBXAGGSA-N 273.380 0.692 0 50 CCAA CCNC(=O)CN(CC)C(=O)[C@H]1C[C@@]12CCOC2 364848180 AQFKYOVCRHJWHP-ZWNOBZJWSA-N 254.330 0.398 0 50 CCAA C[C@H]1OCCN(Cc2ccc3c(c2)OCCO3)[C@@H]1C(N)=O 284637126 OIKLBUQONBGAFU-YGRLFVJLSA-N 292.335 0.532 0 50 CCAA CSCC(=O)N[C@@H]1CCCN(c2cnccn2)C1 216166369 IIBDWBUSPKCGER-SNVBAGLBSA-N 266.370 0.925 0 50 CCAA C[C@H]1CN(S(C)(=O)=O)CCN1C1CCN(C)CC1 374267332 ATZRRNOXHJWJHM-NSHDSACASA-N 275.418 0.046 0 50 CCAA CN[C@H]1CCCN(C(=O)c2ccc(CNC(N)=O)cc2)C1 132967190 BHWASKWSZKRVND-ZDUSSCGKSA-N 290.367 0.679 0 50 CCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(N)=O)cc1C 72125648 HAMZIXJQJAPHND-GFCCVEGCSA-N 291.351 0.179 0 50 CCAA C[C@@H]1C(=O)NCCN1C(=O)NC[C@H]1N(C)CCCC1(C)C 336482085 NSUCAXNJVKTWOH-VXGBXAGGSA-N 296.415 0.637 0 50 CCAA CCc1nnc(CN2CCCC[C@@H]2c2nc(=O)[nH][nH]2)o1 289334684 LETQCBBOSFANSZ-MRVPVSSYSA-N 278.316 0.771 0 50 CCAA CC[C@H]1CN(C)CCCN1C(=O)c1ccc2nnnn2c1 614331895 UHQIJWIQOKVKPL-LBPRGKRZSA-N 288.355 0.681 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)NCCCn1ccnn1 426541486 POHPRXGWVGACSZ-JTQLQIEISA-N 262.317 0.551 0 50 CCAA OCCN=c1[nH]c([C@@H]2CCOC2)cc(=NC2CCCC2)[nH]1 426697612 XRFGKNWSPHITKG-LLVKDONJSA-N 292.383 0.583 0 50 CCAA C[C@H](C(=O)NCC1(O)CCN(C)CC1)N1CCCCCC1 332034398 SONHBRBVYWYMMO-CQSZACIVSA-N 297.443 0.824 0 50 CCAA C[C@@H]1CN(c2nc(C(N)=O)cs2)C[C@@]1(O)C1CC1 91943440 VKHIVFQEWQHWFU-KRTXAFLBSA-N 267.354 0.839 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1cc(O)ccc1F 232319705 IKFJNCLUQURAFT-UHFFFAOYSA-N 256.082 0.785 0 50 CCAA NCCOc1ccc(F)cc1C(=O)NCCc1ncc[nH]1 426684351 CYLVRVSTDQCZAR-UHFFFAOYSA-N 292.314 0.859 0 50 CCAA CCN(C)C[C@@H]1CN(C(=O)c2cccnc2)C[C@@H]1CO 91794483 AYBIYMLEUTUTPU-ZIAGYGMSSA-N 277.368 0.714 0 50 CCAA c1cn2nc(N3CCN(C[C@@H]4CCOC4)CC3)ccc2n1 97570973 RXYLMUGMWFPHMU-ZDUSSCGKSA-N 287.367 0.888 0 50 CCAA Cc1nc(C(=O)N(CCO)CCN(C)C)cs1 96140983 SZEHOXQQAQOGCO-UHFFFAOYSA-N 257.359 0.448 0 50 CCAA CCn1nncc1C(=O)N1CCNC(=O)[C@@H]1CC(C)C 294827727 GUXHJMSSGAAQDC-JTQLQIEISA-N 279.344 0.285 0 50 CCAA CN1C(=O)[C@H](CC(=O)N2Cc3ccccc3C2)N(C)C1=O 91270557 FRDFIHKVHRZTBE-LBPRGKRZSA-N 287.319 0.811 0 50 CCAA CSCC(=O)N1CC[C@]2(CCCN(C)C2=O)C1 91626084 XKONQCVJAWRNSR-GFCCVEGCSA-N 256.371 0.820 0 50 CCAA COc1nc(C)cc(N2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)n1 621337406 ZHTGXOVIIYBDDM-GXSJLCMTSA-N 290.327 0.531 0 50 CCAA CN(CCN1CCCC1=O)C(=O)c1cc2n(n1)CCCC2 622369150 ZMSIGSORUWDISL-UHFFFAOYSA-N 290.367 0.914 0 50 CCAA Cc1nccn1CCC(=O)N[C@@H](C)Cn1cncn1 244673876 HXGVTYUHBOMTFZ-JTQLQIEISA-N 262.317 0.378 0 50 CCAA COCCn1cc(C(=O)N[C@H]2C[C@@](C)(O)C2)c(C)n1 622720936 VNWMUGZCOGZOPI-GSJFWJNXSA-N 267.329 0.481 0 50 CCAA O=C(CCCn1cnnn1)Nc1n[nH]c(C2CCC2)n1 524732568 PKZFEYOTMXLZIB-UHFFFAOYSA-N 276.304 0.478 0 50 CCAA NC(=O)C1(NC(=O)c2cnn3cccnc23)CCCCC1 298876309 WDZMZCCZGVQRNO-UHFFFAOYSA-N 287.323 0.647 0 50 CCAA O=C(COC[C@H]1CCCO1)NC1(C(=O)O)CCCC1 299752039 SMIGNJSPHBKRMG-SNVBAGLBSA-N 271.313 0.696 0 50 CCAA NC(=O)[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]1C(F)(F)F 299741402 FREPXKATYXNCGQ-RNFRBKRXSA-N 286.275 0.074 0 50 CCAA O=C(CCn1cnnn1)Nc1nc(-c2cccs2)n[nH]1 524734411 CBZDNDZTBRAOMJ-UHFFFAOYSA-N 290.312 0.549 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(C(C)C)nc(N)n1 534662454 ABEJGFRDOAWUBS-RYUDHWBXSA-N 293.371 0.241 0 50 CCAA Cc1cc2cc(C(=O)N[C@@H]3CNC[C@H]3O)ccc2o1 534670400 OYFUZWGHALYJLR-VXGBXAGGSA-N 260.293 0.804 0 50 CCAA CCCn1ccnc1CNC(=O)c1cccn(C)c1=O 534655566 QWHDAEYDGKMRHA-UHFFFAOYSA-N 274.324 0.922 0 50 CCAA CC1(C)NC(=O)N(Cc2ncnn2C(C)(C)C)C1=O 282167098 HOTPQVYKCCGOKS-UHFFFAOYSA-N 265.317 0.864 0 50 CCAA CCc1noc(CCNC(=O)c2ncoc2C)n1 584899423 JUKDMENSMGURPA-UHFFFAOYSA-N 250.258 0.901 0 50 CCAA Cc1nccn1CC(=O)N1[C@H]2CC[C@@H]1CCN(C)C2 670463612 HATOHKAKCCUZSL-OLZOCXBDSA-N 262.357 0.887 0 50 CCAA CCCn1cnnc1CN(C)C(=O)c1[nH]nnc1C 584892641 POUFRXRXUWYSFC-UHFFFAOYSA-N 263.305 0.387 0 50 CCAA O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)C1CCC(O)CC1 685942972 ZBUUFXZRXMMWSU-XYJRBWASSA-N 295.339 0.223 0 50 CCAA COC(=O)c1n[nH]c2c1CN(C(=O)c1ccccn1)CC2 1875345290 UUWXBZFFDHYDRO-UHFFFAOYSA-N 286.291 0.790 0 50 CCAA N[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccc(O)cc3CN2)C1 1875337582 AGUJCLZGCTYKGR-OCCSQVGLSA-N 275.352 0.356 0 50 CCAA Cn1cc[nH]c(=NCc2ccccc2-n2cncn2)c1=O 1875344622 NHPJOPGUANMULG-UHFFFAOYSA-N 282.307 0.395 0 50 CCAA COC(=O)/C=C/CNC(=O)CN(C)C(=O)c1ccccc1 1875311603 GRFFIJYLFOELHO-RMKNXTFCSA-N 290.319 0.604 0 50 CCAA Cn1[nH]c(C2CC2)nc1=NS(=O)(=O)c1cscn1 1875279765 COTXWCDAVACDNN-UHFFFAOYSA-N 285.354 0.372 0 50 CCAA CN(C)C(=O)CN1CCC[C@@H](CNC(=O)c2ccoc2)C1 952869742 NWRDRHLODXEAFN-LBPRGKRZSA-N 293.367 0.810 0 50 CCAA CC(C)C[C@@H]1CN(C)CCN1C(=O)CCn1cncn1 886590872 GIHPNSVLVVKTCZ-CYBMUJFWSA-N 279.388 0.857 0 50 CCAA O=C(CN1CCCCCCC1=O)OC[C@@H]1COC(=O)N1 888093469 VHXKRZBDBLSSNB-SNVBAGLBSA-N 284.312 0.431 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H](CC(=O)O)O[C@@H]2COC[C@H]21 1772715648 DRYPKHPAXMTBJK-OPRDCNLKSA-N 287.312 0.864 0 50 CCAA C=CC(=O)N(C)CC(=O)NC1(c2ncon2)CCCC1 1353050819 QWENCVKOYCFHQL-UHFFFAOYSA-N 278.312 0.600 0 50 CCAA O=C(O)[C@@H]1CC[C@H](C(=O)NCCOCc2ccccc2)N1 1775960012 MVRPURNIXNGBBS-OLZOCXBDSA-N 292.335 0.525 0 50 CCAA N[C@H]1CN(C(=O)NCCCCc2ccccc2)C[C@@H]1O 1565525689 FYTMQTFXNWRHSW-KBPBESRZSA-N 277.368 0.723 0 50 CCAA C[C@@H](C[S@](C)=O)NCc1cnc(N(C)C)n1C 168787192 JOGFADDMOWEJRF-HUTHGQBESA-N 258.391 0.343 0 50 CCAA CCOC(=O)[C@@]1(C)CN(Cc2nccnc2C)CCO1 602745372 GHSSLNPQIJJFCU-CQSZACIVSA-N 279.340 0.939 0 50 CCAA Cc1conc1C(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C 633022777 KUJLZWTZQYAERS-RYUDHWBXSA-N 279.340 0.918 0 50 CCAA Cn1c(CNC(=O)[C@H]2CNCCO2)nc2ccccc21 188038346 QIAJOFDDZBLIHI-GFCCVEGCSA-N 274.324 0.178 0 50 CCAA C[C@H]1CC[C@H](C)N1CC(=O)NCC1(O)CCOCC1 408281753 WMKJOVHJYRMBCT-RYUDHWBXSA-N 270.373 0.517 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1c(C)cnn1C 643765838 IEEXLGBDLUJEPJ-CQSZACIVSA-N 280.372 0.456 0 50 CCAA Cc1c(C(=O)N(C)C2CS(=O)(=O)C2)cnn1C(C)C 913138664 FRDRLQSWRAOTJZ-UHFFFAOYSA-N 285.369 0.641 0 50 CCAA CO[C@H]1COC[C@@H]1Nc1ncc(F)c(N(C)C)n1 1529178486 MQENUMXBTBUSKV-IUCAKERBSA-N 256.281 0.507 0 50 CCAA Cc1cc(C(=O)O)nc(N2CCN(C)C(=O)[C@H]2C)n1 1529089744 ASYZSABWHYGGNG-MRVPVSSYSA-N 264.285 0.150 0 50 CCAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@H]1C(=O)O 262085411 FVCGJDPJQXOUEG-HBNTYKKESA-N 271.313 0.646 0 50 CCAA CN(C[C@H]1Cc2ccccc2O1)c1nnc(CN)o1 1772712770 YNHDLYIDSCPBHJ-SNVBAGLBSA-N 260.297 0.968 0 50 CCAA CN1CC[C@@H]2CN(C(=O)c3ccncc3F)C[C@@H]2C1=O 1772815791 XHJASUWPPAFCPL-KOLCDFICSA-N 277.299 0.771 0 50 CCAA C1CO[C@H](CCN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)CO1 1775980263 WRDKOLYIYTVHRI-RGDJUOJXSA-N 252.358 0.474 0 50 CCAA NCc1nnc(NCCN2CCc3ccccc3C2)o1 1772707941 YZGHAUJVAOMZBI-UHFFFAOYSA-N 273.340 0.999 0 50 CCAA CN1CCC[C@](O)(CNCCc2ccccc2F)C1=O 12298220 SLYDEOQURPIYNG-HNNXBMFYSA-N 280.343 0.941 0 50 CCAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCCCO1 12748403 XAFPEFNURBLZTO-GFCCVEGCSA-N 283.372 0.387 0 50 CCAA CCN(CC)CCN1C(=O)CC[C@@H]2CNCC[C@@H]21 159999736 CXZSXOZTXUSJLB-OLZOCXBDSA-N 253.390 0.929 0 50 CCAA Cc1nccc(N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)n1 1857691736 BMMVMVYWVVMKRW-SMDDNHRTSA-N 276.340 0.252 0 50 CCAA COC(=O)c1cnc(N2CC[C@@H]3CCN(C)C[C@@H]32)nc1 408028951 VJGYULXRJZTMKO-JQWIXIFHSA-N 276.340 0.794 0 50 CCAA CN1CC[C@H](NC(=O)c2ncncc2Cl)C1=O 408079258 GDUHVGAJIXUKPF-ZETCQYMHSA-N 254.677 0.091 0 50 CCAA C[C@@H]1Oc2c(cccc2C(=O)N2CCNC[C@H]2C)NC1=O 124352311 RGKQHNVKAGEVGA-ZJUUUORDSA-N 289.335 0.840 0 50 CCAA Cc1ccc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)cn1 1704312433 RUQZPXMZNJXFOG-JSGCOSHPSA-N 275.352 0.793 0 50 CCAA C1C[C@H](N2CCN(c3nc(C4CC4)ns3)CC2)CN1 261639113 WVXFDIJMJRIVFK-NSHDSACASA-N 279.413 0.899 0 50 CCAA COCCN1CCC[C@@H](NC(=O)c2cccnc2)C1 408512851 HRWYPTNNIHBILS-CYBMUJFWSA-N 263.341 0.922 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1Cc1ccc2nsnc2c1 534659688 VRDZJEKVEQLFSP-KCJUWKMLSA-N 279.321 0.711 0 50 CCAA O=C(O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 91663812 FIEFINSFTIWIEM-SNVBAGLBSA-N 268.313 0.322 0 50 CCAA O=C(N[C@@H]1[C@H]2CCCC[C@H]21)[C@@H]1CC[C@H](C(=O)O)O1 1875260435 QWWSTDVOZYIBRI-OGBGREFGSA-N 253.298 0.923 0 50 CCAA O=C(O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 129931262 AAICTHSGRPHVLL-JLLWLGSASA-N 297.332 0.983 0 50 CCAA COC(=O)c1ccc(CSc2nncn2N)o1 179298 CHMPKNZDPBRMJJ-UHFFFAOYSA-N 254.271 0.664 0 50 CCAA CC(C)CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCC(C)C 1672970 VOBHVQRBBHSZAZ-VXGBXAGGSA-N 290.356 0.887 0 50 CCAA O=C(O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 1926482 WPKVALCKNGRKBE-JTQLQIEISA-N 284.262 0.740 0 50 CCAA Cc1ccc(C(=O)N2CCC(C(=O)NCCO)CC2)cc1 3004472 PKPPGUPAENPTHU-UHFFFAOYSA-N 290.363 0.956 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccnc1 247318240 ONDADLCNZLLWQH-NEPJUHHUSA-N 281.381 0.939 0 50 CCAA CN1CCO[C@H](C(=O)N2CCc3ccccc3[C@H]2CO)C1 248609984 WXPZFINWGLTKFD-CABCVRRESA-N 290.363 0.435 0 50 CCAA Nc1ccc(C(=O)N2CCC[C@@]3(CCNC3)C2)cn1 67642565 TUJULCFDXRVEHP-AWEZNQCLSA-N 260.341 0.880 0 50 CCAA C[C@H](C(=O)O)C(=O)N1CCN(c2ccccn2)CC1 229324596 OWMMXNPHKAPYLP-JTQLQIEISA-N 263.297 0.451 0 50 CCAA Cc1noc([C@H](C)N2CCN([C@@H]3C[C@@H](C)OC3=O)CC2)n1 229454652 BIVNZLBPBXWGFM-JFGNBEQYSA-N 294.355 0.761 0 50 CCAA CC(=O)[C@H](NC(=O)CN1C[C@@H](C)OC[C@H]1C)C(C)C 252470022 MYJXYRXCZFWPPR-JTNHKYCSSA-N 270.373 0.825 0 50 CCAA CCN(CC)S(=O)(=O)N1CCC2(CCN(C)CC2)C1 65371642 PCEYFAVSLFJLKI-UHFFFAOYSA-N 289.445 0.991 0 50 CCAA CO[C@@H]1CCC[C@H]1NC(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1 333177312 KVZNRNJDRVZGIR-LPWJVIDDSA-N 283.372 0.278 0 50 CCAA Cc1nc(NCCN2CCNC2=O)c2c(C)nn(C)c2n1 72412487 YJGOMRURKSBSTH-UHFFFAOYSA-N 289.343 0.417 0 50 CCAA O=C(CCn1ccnc1)N1CC[C@H](N2CCCC2)C1 363192785 NZURLJINLUJVSB-ZDUSSCGKSA-N 262.357 0.970 0 50 CCAA N=c1nc(CN2CCCc3ccccc3CC2)[nH]c(=N)[nH]1 333761839 ZVCCGZQOFLCYDI-UHFFFAOYSA-N 284.367 0.688 0 50 CCAA CCc1occc1C(=O)N1C[C@@H](OC)C[C@H]1C(N)=O 284468287 AWHKBRQOYHYOQS-WPRPVWTQSA-N 266.297 0.557 0 50 CCAA O[C@@]1(c2c[nH]nn2)CCN(c2ccc(Cl)cn2)C1 284564704 OOLFWWWFLCRAIB-NSHDSACASA-N 265.704 0.951 0 50 CCAA O=C(O)CN1CCCn2nc([C@@H](O)C3CC3)cc2C1 219370668 ACKDLSWWFAWDGN-ZDUSSCGKSA-N 265.313 0.617 0 50 CCAA N[C@@H]1CC[C@@H]1NC(=O)CCn1nnc2ccccc21 72153075 GZQREJSCLALOOP-ZJUUUORDSA-N 259.313 0.427 0 50 CCAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C 263936160 PDBKLXUGPXTIHD-UONOGXRCSA-N 290.363 0.981 0 50 CCAA CN1CCC[C@H]1CCNS(=O)(=O)N1CCCCC1 220341039 BOHGWKAKGUQQPG-LBPRGKRZSA-N 275.418 0.791 0 50 CCAA O=C(N[C@@H](CO)CN1CCCCC1)c1ccc[nH]1 288460565 JXEMQYUUSNMSRX-LLVKDONJSA-N 251.330 0.591 0 50 CCAA CN(C)c1ncccc1C(=O)N[C@H]1CCNC(=O)CC1 616360625 VKZRMBWTKVEHFC-SNVBAGLBSA-N 276.340 0.546 0 50 CCAA CC(C)[C@@H](CC(=O)O)NC(=O)c1cnc(O)cc1O 223485483 BPYJPMZTUFEPLA-MRVPVSSYSA-N 268.269 0.722 0 50 CCAA Cc1nc(C(F)(F)F)ncc1CN1C[C@@H](N)[C@H](O)C1 426470937 VLYQWCGVAVFRIS-RKDXNWHRSA-N 276.262 0.308 0 50 CCAA O=C(NCCCO)NCCc1nc(O)c2ccccc2n1 426667407 MTELEEXOORUXQR-UHFFFAOYSA-N 290.323 0.560 0 50 CCAA Cc1nc(CCN(C)C(=O)NCC(C)(C)CO)no1 426435255 BQJBACMBWHWHBN-UHFFFAOYSA-N 270.333 0.580 0 50 CCAA CNC(=O)c1cccc(CNC(=O)c2cn(C)cn2)c1 179466031 MSSGPNSJIVSTAP-UHFFFAOYSA-N 272.308 0.710 0 50 CCAA O=C(O)c1n[nH]cc1CN1CCC2(CC1)CNCCO2 426622869 BGZNBHQRWHZDHK-UHFFFAOYSA-N 280.328 0.062 0 50 CCAA CNC(=O)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O 180689728 BCTOKVDHHSLUDU-OAHLLOKOSA-N 272.304 0.376 0 50 CCAA C[C@H](NC(=O)CCCN1CCCCC1)c1nnn[nH]1 95354766 LOKCYPYLDWTHHS-JTQLQIEISA-N 266.349 0.643 0 50 CCAA C[C@H](O)CNC(=O)NCc1nc(C(F)(F)F)n[nH]1 434335663 VYLPIXMXBZTXRH-BYPYZUCNSA-N 267.211 0.004 0 50 CCAA CC1=NO[C@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)C1 244884155 YGKIQOKSJKMEFC-NSHDSACASA-N 293.327 0.187 0 50 CCAA CC(=O)OC1(OC(C)=O)[C@H]2[C@H]3C(=O)[C@@H]4[C@H]5[C@H]3C[C@H]2[C@H]5[C@H]41 254384018 ITQKYDIBXXYCQW-QQXSEVJBSA-N 276.288 0.766 0 50 CCAA CN(C)C(=O)CCc1cccc(NC(=O)NCC(N)=O)c1 299779960 OLHCKLRKUZIEKC-UHFFFAOYSA-N 292.339 0.314 0 50 CCAA CCn1cc(NC(=O)N(CCO)Cc2nccn2C)cn1 299764385 VEXWFJDZLYOSGF-UHFFFAOYSA-N 292.343 0.663 0 50 CCAA CN1CCN(CC2(CNC(=O)c3ccc[nH]3)CC2)CC1 299778428 QBVQBRUMWAMUMY-UHFFFAOYSA-N 276.384 0.772 0 50 CCAA C[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1nncn1C 828161283 YUXOQDJPRIIBQO-JTQLQIEISA-N 297.322 0.887 0 50 CCAA CC(C)C[C@H](NC(=O)CNS(C)(=O)=O)c1cccnc1 670447552 LHIOGSBDBKLPPV-LBPRGKRZSA-N 299.396 0.834 0 50 CCAA CC[C@H](NC(=O)c1cnn2c1NCC2)c1noc(C)n1 1875277050 AOJQKDJMYLAEEO-VIFPVBQESA-N 276.300 0.881 0 50 CCAA Cc1cc(O)nc(N2CC[C@H](NC(=O)[C@@]3(C)C[C@@H]3F)C2)n1 1875278689 WHKPFDWDUGKTPI-BHDSKKPTSA-N 294.330 0.934 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cnn(CCO)c1C1CC1 1875311894 OPKBWOOEJSKBSV-NSCUHMNNSA-N 293.323 0.212 0 50 CCAA C[C@@H]1CC(=O)N[C@@H]1C(=O)N1CCC[C@H]1c1cc[nH]n1 1875397109 LPBHICZYWGNLQV-QRTLGDNMSA-N 262.313 0.598 0 50 CCAA C[C@H]1CCO[C@H]1CC(=O)N1CCc2c(O)nc(O)nc2C1 1875307723 SLDBOACEMJNITM-KWQFWETISA-N 293.323 0.588 0 50 CCAA CCn1cncc1CN[C@H]1C[C@@H](O)[C@@H]1n1cc(C)cn1 888077153 NZKSCZAJGXXURK-BFHYXJOUSA-N 275.356 0.872 0 50 CCAA Cc1nnc(C2(C)CN(CC(=O)N(C)C3CC3)C2)o1 1775960242 APOUUZJACOHULO-UHFFFAOYSA-N 264.329 0.572 0 50 CCAA O=C(C1=C2CCCN=C2NN1)N1CCCc2n[nH]cc21 1362398389 BYIXFFLRIYDZOZ-UHFFFAOYSA-N 272.312 0.243 0 50 CCAA NC(=O)[C@H]1CCC[C@H]1NCCOCC(F)(F)F 170089209 VPHDCUQNSZLQKK-JGVFFNPUSA-N 254.252 0.809 0 50 CCAA Cc1nc(COC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c(C)s1 170609502 DFJSWBCAPRVGNW-VHSXEESVSA-N 284.337 0.836 0 50 CCAA Cc1cccnc1CNC(=O)C1(S(C)(=O)=O)CCC1 280557215 PXCKEEOJVDSJEN-UHFFFAOYSA-N 282.365 0.974 0 50 CCAA CC(=O)N1CCN(Cc2snnc2C(C)C)C[C@@H](O)C1 92076945 YUXDDVKGFUHSBV-LLVKDONJSA-N 298.412 0.687 0 50 CCAA Cc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)c(C)n1 187050740 VWIYWONHHDGVMC-CYBMUJFWSA-N 283.397 0.822 0 50 CCAA O=C(NS(=O)(=O)C[C@@H]1CCCOC1)C1CCC1 408241521 JTQDQPIQJPELHS-SECBINFHSA-N 261.343 0.659 0 50 CCAA CCC1(C(=O)NS(=O)(=O)c2c(C)o[nH]c2=N)CC1 408475111 BOXBXOAETKXPAI-UHFFFAOYSA-N 273.314 0.391 0 50 CCAA CCc1ccnc(C(=O)N2CCCNC(=O)[C@@H]2C)c1 188867722 PGNRAADCZMFYSV-JTQLQIEISA-N 261.325 0.995 0 50 CCAA COC[C@]1(C(=O)OC)CCCCN1C(=O)c1ccn(C)n1 585127536 CNHYUAQFEPMFEC-AWEZNQCLSA-N 295.339 0.604 0 50 CCAA O=C(NS(=O)(=O)c1cnccn1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 225439565 RVRDINFLAARNNE-UUTMEEIUSA-N 293.348 0.574 0 50 CCAA O=C(NCC1CCN(c2cnsn2)CC1)[C@H]1CCOC1 1506410863 GGCWLCDOQWSCQX-NSHDSACASA-N 296.396 0.907 0 50 CCAA Cc1nnc(SCC(=O)NCc2nonc2C)o1 1506420706 PRQUDAFTTUKZDG-UHFFFAOYSA-N 269.286 0.478 0 50 CCAA O=C(CN[C@@H]1CCC(=O)N(CC2CC2)CC1)N1CCCC1 1506406861 GUWBIVLKCPSOCD-CQSZACIVSA-N 293.411 0.990 0 50 CCAA C[C@@H]1C(=O)N(C)CCN1C(=O)CCCN1CCCC1=O 1506412753 OBBWWXMPFAXBKN-LLVKDONJSA-N 281.356 0.078 0 50 CCAA C[C@@H](O)[C@H](N)C(=O)N1CCCN(C2CCCC2)CC1 1506421292 GLUULWZFAXFUMR-YPMHNXCESA-N 269.389 0.171 0 50 CCAA CNC(=O)CN1CCN([C@@H]2CCC(C)(C)C2)CC1 1857701580 WEYKMNAHPFCTHD-GFCCVEGCSA-N 253.390 0.929 0 50 CCAA CN1CCCN(CC(=O)N2CCC[C@@]23CCC[C@H]3O)CC1 1857705413 GKOFSJIJYRNUSK-GDBMZVCRSA-N 295.427 0.530 0 50 CCAA C[C@H](N)CCNS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 221145746 OENODABRCVVISC-AXFHLTTASA-N 263.407 0.536 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)N[C@](C)(CN)CC(C)C 420460026 RBAISSMDRZZAPE-LBPRGKRZSA-N 288.417 0.770 0 50 CCAA COC1CCC(N(C)S(=O)(=O)c2cnn(C)c2)CC1 265186310 GACHVWILEAJACV-UHFFFAOYSA-N 287.385 0.998 0 50 CCAA COc1nc(NC2(C(N)=O)CCCC2)ncc1F 1772701172 IRMBZOXVMUDTPV-UHFFFAOYSA-N 254.265 0.834 0 50 CCAA COc1nc(N2CCN(CCC(=O)O)CC2)ncc1F 1772701292 KGVFMJLECSYSFE-UHFFFAOYSA-N 284.291 0.221 0 50 CCAA CC(=O)c1cc(CN2C[C@H]3COC[C@@H]2CN(C)C3)n(C)c1 1772703722 IVAFGJCMVFHYPR-BBRMVZONSA-N 291.395 0.990 0 50 CCAA C[C@H]1NC(=O)[C@H]2CN(Cc3ccccc3)CCN2C1=O 14754764 ZPQHNSWCOIKLCE-DGCLKSJQSA-N 273.336 0.218 0 50 CCAA Cn1nnc([C@H](O)CNCc2ccc(F)cc2)n1 19858325 NOAOFBHUAGFLBT-SNVBAGLBSA-N 251.265 0.172 0 50 CCAA CCOc1ccccc1N(CC(=O)O)S(C)(=O)=O 2959499 VTLDFGZRPXMCJH-UHFFFAOYSA-N 273.310 0.936 0 50 CCAA CC(C)NC(=O)Cn1cc(C(=O)C(N)=O)c2ccccc21 4413056 UZENUFIZOGWGNJ-UHFFFAOYSA-N 287.319 0.834 0 50 CCAA CCn1nc(C)c(C(=O)N2CCS(=O)CC2)c1C 408106363 STNCAYXPCOMDPQ-UHFFFAOYSA-N 269.370 0.724 0 50 CCAA CCN1CCN(C(=O)Nc2ccon2)C[C@@H]1c1ncc[nH]1 328615864 BCLOQAGMKOHANU-SNVBAGLBSA-N 290.327 1.308 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1ncc(C)cn1 643828795 IZDYOQJCQMHVEY-CQSZACIVSA-N 278.356 0.512 0 50 CCAA C[C@H]1C[C@@H](C(=O)Nc2ccn(CC(=O)O)n2)CCO1 262819168 VULZEMYRIILJRO-IUCAKERBSA-N 267.285 0.721 0 50 CCAA O=C(O)[C@H]1CCN(C2Cc3ccccc3C2)C[C@H]1O 1704325149 JRBWEMUCGVNYKF-UONOGXRCSA-N 261.321 0.921 0 50 CCAA O=C(c1cnc2[nH]c(O)nc2c1)N1CC[C@H](CO)C1 1118057606 FGWWGNQVLLCXPO-ZETCQYMHSA-N 262.269 0.118 0 50 CCAA O=C(NCCN1CCC(O)CC1)c1cncc(Cl)c1 220726940 OSSOUBOHVWFXPK-UHFFFAOYSA-N 283.759 0.922 0 50 CCAA C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)CCN1 237377638 IEGNOHLKVFJRAU-LLVKDONJSA-N 271.324 0.701 0 50 CCAA CCc1nnc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)s1 239121125 JIMSLFNYBGDRMJ-MTSNSDSCSA-N 295.320 0.693 0 50 CCAA Cc1nn(C)c(C)c1CNC(=O)[C@H]1NCCO[C@@H]1C 261943320 NFIVMVWGSMIQNS-PWSUYJOCSA-N 266.345 0.030 0 50 CCAA COC[C@H](O)CN1CC[C@H](Oc2ccccn2)C1 268674907 KYHZZGTXRJQWSI-NEPJUHHUSA-N 252.314 0.542 0 50 CCAA Cc1cc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c(C)o1 285575059 QCMRMWNSFPHXHP-ZDUSSCGKSA-N 266.297 0.349 0 50 CCAA C[C@@H](CS(C)(=O)=O)NCCN1CCCCC1=O 405465365 BBTRQBSSPBCFPD-JTQLQIEISA-N 262.375 0.022 0 50 CCAA Cn1cc(Br)c(C(=O)NCCc2ncc[nH]2)n1 340151731 YWZLCPNDHNDAEE-UHFFFAOYSA-N 298.144 0.878 0 50 CCAA COc1cc(N2CCN(c3ccc(O)nc3)CC2)ncn1 2325802331 AEXBOEZPMHZURB-UHFFFAOYSA-N 287.323 0.912 0 50 CCAA CCOC(=O)C(C(=O)OCC)=C(N)NCc1ccco1 2820164 ADDFFTIBXLKVRP-UHFFFAOYSA-N 282.296 0.666 0 50 CCAA CC(C)(C)OC(=O)N[C@H]1C[C@H]2CNCCN2C1=O 307627366 LJCUCZLZFKIRRY-IUCAKERBSA-N 255.318 0.084 0 50 CCAA CN(C)CCN1CCC(NC(=O)c2cn(C)cn2)CC1 179451837 IJKBCJFLTFQCFP-UHFFFAOYSA-N 279.388 0.176 0 50 CCAA CN(C)c1ncccc1CN1C(=O)[C@@H]2COCCN2C1=O 348839208 WMSLNZYCKYYDCS-NSHDSACASA-N 290.323 0.311 0 50 CCAA CN(C)c1ncc(NC(=O)Nc2ccn(C)n2)cn1 120024122 CRFOQDJXAADQIZ-UHFFFAOYSA-N 261.289 0.920 0 50 CCAA NC(=O)N[C@H]1CSC[C@H]1OC(=O)c1ccccc1 288935 KIDXIMLQNCLUNO-VHSXEESVSA-N 266.322 0.996 0 50 CCAA biogenic O=C(NC1(c2nn[nH]n2)CC1)[C@@H]1OCCc2ccccc21 357071696 FSKXQHONMAOSSP-LLVKDONJSA-N 285.307 0.619 0 50 CCAA O=C(NCCSc1cn[nH]n1)c1n[nH]c2c1CCC2 215015522 BXSBXJLEMGVMKL-UHFFFAOYSA-N 278.341 0.539 0 50 CCAA Cc1cc(NCCN2CCNC2=O)nc(N2CCCC2)n1 32577709 ITISLBAHKSPHNR-UHFFFAOYSA-N 290.371 0.822 0 50 CCAA COc1ccnc(CN2CC[C@@H](CO)C2)c1OC 188670788 ZYQQMZRBZJTBOE-SNVBAGLBSA-N 252.314 0.913 0 50 CCAA COC(=O)[C@@H](CNCc1ccc(OC)cc1)[C@H](C)O 39022873 BHTXFDCKVRIWTI-GWCFXTLKSA-N 267.325 0.955 0 50 CCAA Cc1nc2ccc(N3CCC[C@H](C(=O)O)C3)nn2n1 262199382 ZVLRCDCCGWKIMK-VIFPVBQESA-N 261.285 0.734 0 50 CCAA CCN1CCO[C@H](C(=O)Nc2cccnc2N(C)C)C1 174206244 JPHTZCXGMDBUIL-LBPRGKRZSA-N 278.356 0.807 0 50 CCAA O=C(NC1(C(=O)O)CCCC1)c1ccc(CO)o1 217967100 NPGOORBQDBGFHV-UHFFFAOYSA-N 253.254 0.899 0 50 CCAA CCCn1ccnc1CN1C[C@H](O)[C@@H](N2CCOCC2)C1 215168020 SHYKXMJAJWPLRF-KBPBESRZSA-N 294.399 0.170 0 50 CCAA COc1nnc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)s1 241776877 RTGPVCCSBUXWBW-ZETCQYMHSA-N 294.340 0.949 0 50 CCAA Cc1nnc(CC(=O)NC[C@H]2CCC[C@@H]2O)s1 616200472 WDHUEZMQMXKTJQ-BDAKNGLRSA-N 255.343 0.666 0 50 CCAA O=C(Cn1ccc(=O)cc1)N1CCC[C@H](c2ccn[nH]2)C1 221283972 LSMAFUVXLWGPGT-LBPRGKRZSA-N 286.335 0.978 0 50 CCAA COCCCn1cnnc1CNC(=O)[C@H]1CCC[C@@H](O)C1 220447877 ANHSATPYAJIQDT-NWDGAFQWSA-N 296.371 0.482 0 50 CCAA CCCn1ccnc1CNC(=O)CN1CCN(C)C1=O 426478736 JXYQLKHFFQEFST-UHFFFAOYSA-N 279.344 0.277 0 50 CCAA C[C@@H](NC(=O)C(C)(C)N1CCCC1)c1nc(=N)[nH][nH]1 426525909 KIUIWJHKVWNZGH-MRVPVSSYSA-N 266.349 0.269 0 50 CCAA Cc1nc(-c2nc3c([nH]2)CC(C)(C)CNC3=O)n[nH]1 95378125 MDSIYDKNYYMWJD-UHFFFAOYSA-N 260.301 0.815 0 50 CCAA COc1ccccc1-n1nc(C)nc1CNC(N)=O 95529207 FTOOTFLZDQDECE-UHFFFAOYSA-N 261.285 0.753 0 50 CCAA CC(C)n1cnnc1CCNC(=O)[C@H](C)N(C)C 426613679 UKJWURDLHFSLJF-JTQLQIEISA-N 253.350 0.468 0 50 CCAA CCN1C[C@@H](C(=O)N(C)CCCc2cnn(C)c2)CC1=O 95383172 DVALMRIVEAHHKS-ZDUSSCGKSA-N 292.383 0.680 0 50 CCAA CCOC[C@@H](O)CNC(=O)c1c(C)cc(C)n(CC)c1=O 97272387 LVWYLIHEVITBNC-LBPRGKRZSA-N 296.367 0.612 0 50 CCAA Cc1nnc(CN2CCCN(C(=O)C(F)(F)F)CC2)o1 243885910 ADVGBGORHGOVLL-UHFFFAOYSA-N 292.261 0.975 0 50 CCAA Cc1cn(CCNC(=O)c2cc(CC(C)C)n[nH]2)nn1 244718924 LTKOBEATVMKXKL-UHFFFAOYSA-N 276.344 0.938 0 50 CCAA C[C@@H](NC(=O)CCCn1cccn1)c1ncnn1C 355829648 NZQRTYFWASKWET-SNVBAGLBSA-N 262.317 0.669 0 50 CCAA COCC(C)(C)CNC(=O)Cc1c(O)n[nH]c1C 534676037 OJXCHEVLPJPGBW-UHFFFAOYSA-N 255.318 0.755 0 50 CCAA COc1nccnc1N[C@H]1COC[C@@H]1N1CCCC1 534642243 YUVHCWMMDNUDSS-QWRGUYRKSA-N 264.329 0.760 0 50 CCAA Cc1ccnc(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 584893021 DFCLFOBJCAGYLL-CYBMUJFWSA-N 282.365 0.626 0 50 CCAA Cc1n[nH]c(C)c1CNC(=O)CSc1nc(N)n[nH]1 827844431 GEUHBBUJBCSISM-UHFFFAOYSA-N 281.345 0.135 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)c2ncccc2O)C1 584888079 GVIJLTIWJBCSOH-SECBINFHSA-N 263.297 0.385 0 50 CCAA CCc1ncc(S(=O)(=O)N2CCOC(C)(C)C2)[nH]1 70420809 WZTZPHKKULEELB-UHFFFAOYSA-N 273.358 0.772 0 50 CCAA O=S(=O)(N1CCCC1)N1CCc2cccnc21 1875290386 ADMHNFPUCOWXKY-UHFFFAOYSA-N 253.327 0.785 0 50 CCAA O=C(NCCc1ncccn1)c1cnc2n1CCC2 1875295284 DKKQFBGYQQNTEV-UHFFFAOYSA-N 257.297 0.592 0 50 CCAA N[C@H](Cc1cc[nH]n1)C(=O)Nc1cccc2c1NC(=O)C2 1875355887 DJSZRWPAMWHNGM-SNVBAGLBSA-N 285.307 0.413 0 50 CCAA CN(CCN1CCCCCC1)C(=O)CCS(C)(=O)=O 952974719 FMPJEWOIDGULJX-UHFFFAOYSA-N 290.429 0.756 0 50 CCAA O=C(NCC1CCN(CCCO)CC1)C1CCC1 952973540 ALJUSIPPXPKFMJ-UHFFFAOYSA-N 254.374 0.997 0 50 CCAA COC(=O)CC(O)(CC(=O)OC)C(=O)OC(C)(C)C 888086439 PWSGVJPWIKGYHZ-UHFFFAOYSA-N 276.285 0.185 0 50 CCAA in-vitro Cn1nncc1C1(O)CN(c2ncnc3ccsc23)C1 1339799738 UYUKGHTWPVWVDU-UHFFFAOYSA-N 288.336 0.528 0 50 CCAA COC[C@H]1[C@H](NC(=O)Cc2c(O)n[nH]c2C)[C@H]2CCO[C@H]21 1565527360 PUJOCNSACQIGOD-MWKLQFHZSA-N 295.339 0.132 0 50 CCAA Cc1cccc(CCN2C[C@H]3COC[C@@]3(C(=O)O)C2)n1 1574398368 JRUPKHVALUHANR-WFASDCNBSA-N 276.336 0.966 0 50 CCAA C[C@@H](O)CN1CCN(S(=O)(=O)c2ccco2)[C@H](C)C1 170618036 LAQLPLMQVXULII-GHMZBOCLSA-N 288.369 0.355 0 50 CCAA CO[C@H]1C[C@@H](CO)N(c2noc(C(C)(C)C)n2)C1 408028504 FCFPQWMRVPQNHQ-IUCAKERBSA-N 255.318 0.953 0 50 CCAA CCCC(=O)N1CCC[C@H](C(=O)NS(=O)(=O)CC)C1 408380405 YQDSJJWLJOPZCI-JTQLQIEISA-N 290.385 0.491 0 50 CCAA N[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCCC2)C1 223424595 MRYGAGWFFATSJE-JHJVBQTASA-N 251.374 0.811 0 50 CCAA CCn1ccnc1C(=O)N1CCC[C@@]1(COC)C(=O)NC 644061696 SUTLFXOMFHNWBB-CQSZACIVSA-N 294.355 0.270 0 50 CCAA CC[C@H]1CN([C@@H](CC)C(=O)O)CCN1CCOC 191432281 KNSNWWIOPMDLID-RYUDHWBXSA-N 258.362 0.892 0 50 CCAA CCc1ccccc1S(=O)(=O)NC[C@@H]1COCO1 583651423 LLADTWCIDYHSIS-LLVKDONJSA-N 271.338 0.900 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC[C@H](NC(C)=O)C1 900252945 XLKOBFCLVWCASZ-LBPRGKRZSA-N 281.356 0.148 0 50 CCAA CCCCCOCC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C 585089891 AUOBHBUJJHHRBB-CYBMUJFWSA-N 299.415 0.772 0 50 CCAA O=C(COC[C@H]1CCCO1)Nc1cnc2ccnn2c1 585124951 AZCBMCHFGZUHPJ-LLVKDONJSA-N 276.296 0.863 0 50 CCAA CCN1CCN(CCNS(=O)(=O)c2ccco2)CC1 193991034 YKKUJADNLLZDTH-UHFFFAOYSA-N 287.385 0.195 0 50 CCAA Cc1nocc1S(=O)(=O)NCCc1cnoc1 907390553 ZVWIEOZUXWPSSX-UHFFFAOYSA-N 257.271 0.492 0 50 CCAA CN1CCC(O)(C(=O)N(C)CC[C@@H]2CCCCO2)CC1 1506414441 PUGDXPQBAYLESF-ZDUSSCGKSA-N 284.400 0.861 0 50 CCAA CN(CCCCN1CCOCC1)c1nccnc1C(=O)O 1506397916 ZBYUWEBOKCSFTP-UHFFFAOYSA-N 294.355 0.723 0 50 CCAA O=C1CO[C@H](C(=O)NC2CCC2)[C@@H](c2ccccc2)N1 1529192177 QCPYJJTZPPNGSA-KGLIPLIRSA-N 274.320 0.911 0 50 CCAA C[C@H]1CN(C(N)=O)C[C@@H](c2nc(C3CC3)no2)O1 1857532188 NKQZGDLUOVHCFJ-XPUUQOCRSA-N 252.274 0.788 0 50 CCAA O=C(c1cc[nH]c1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857697630 FNBUQHMPSYKSBO-USWWRNFRSA-N 250.298 0.627 0 50 CCAA O=C(NCC1CCOCC1)c1cn2c(n1)CCNCC2 1857721474 QJHLTCDNXXCBNK-UHFFFAOYSA-N 278.356 0.185 0 50 CCAA Cc1noc(C)c1CN1C[C@H]2COC[C@@H](C1)C(=O)N2C 1875250004 QNSYGNIGORQCKZ-NEPJUHHUSA-N 279.340 0.580 0 50 CCAA CCC[C@@]1(CO)CN(c2nc(CO)cs2)CC[C@H]1O 1875251381 DEEUWNAAGGGOMW-YPMHNXCESA-N 286.397 0.985 0 50 CCAA O=C(c1cnc2ccccc2n1)N1C[C@@H](O)[C@H](F)C1 952967975 DKXDKXWOZZZBMP-PRHODGIISA-N 261.256 0.785 0 50 CCAA C[C@@H]1C[C@@H](C(=O)N2CC[C@@](F)(C(=O)O)C2)CCO1 262803419 RZILPDGMPFTJJW-PTRXPTGYSA-N 259.277 0.827 0 50 CCAA CC1(C)OC[C@H]([C@H](O)C(=O)N[C@@H]2CCCSC2)O1 1615605778 NMQHEBUINRELGD-BBBLOLIVSA-N 275.370 0.511 0 50 CCAA Cc1cc(O)ccc1C(=O)NC[C@@]1(O)CCNC1 215881566 AZPZLURUHUALJH-CYBMUJFWSA-N 250.298 0.155 0 50 CCAA Cn1nnn(C[C@H]2CCCC23CCOCC3)c1=O 1644098486 SMHNMPSBKVWRPD-SNVBAGLBSA-N 252.318 0.574 0 50 CCAA O=C(C1Cc2ccccc2C1)N1CCC([C@@H](O)CO)CC1 1772707431 SLXBJNQZVPVFES-INIZCTEOSA-N 289.375 0.993 0 50 CCAA COCCNC(=O)c1nn(C)c(=O)c2ccccc12 2450902 ZVBDVMRDUUMSFM-UHFFFAOYSA-N 261.281 0.310 0 50 CCAA CCn1nc(C(C)C)cc1C(=O)N1C[C@@H]2C[C@H]1C(=O)N2 1857677031 VVXFSCHZTUHPBI-ONGXEEELSA-N 276.340 0.739 0 50 CCAA CC(C)[C@H]1CN2C[C@@H](NC(=O)c3nccn3C)C[C@H]2CO1 1857737846 GJIYPEBZAOUDFI-RWMBFGLXSA-N 292.383 0.648 0 50 CCAA CN1CC[C@@H](C(=O)NCc2ccc(C(=O)O)o2)CC1=O 124583700 MGXFTDYGASGJDX-MRVPVSSYSA-N 280.280 0.462 0 50 CCAA CCn1ncc(CNc2n[nH]cc2C(=O)N(C)C)n1 902659866 WGBUDBYMLIQRBB-UHFFFAOYSA-N 263.305 0.335 0 50 CCAA COC(=O)C[C@H]1CN([C@@H](C)C(=O)NC(C)(C)C)CCO1 226755901 JOMBATMACNXCGY-QWRGUYRKSA-N 286.372 0.554 0 50 CCAA CSCC[C@H](N)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 122022129 LBCOABMICYISHO-SDDRHHMPSA-N 288.413 0.473 0 50 CCAA CN1CC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)N)C1=O 262960301 KSCGVXNOSRTDSF-OUJBWJOFSA-N 253.346 0.241 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cnn(C)c1 643849362 ZKFNFZUNMUBAGJ-GFCCVEGCSA-N 267.285 0.126 0 50 CCAA CCCN1CC[C@@H](N=c2nc(OC)cc(OC)[nH]2)C1 389263372 DRKVXUDSDROPFE-SNVBAGLBSA-N 266.345 0.812 0 50 CCAA COc1ccccc1C[C@@H](C)N(C)CCS(N)(=O)=O 743856793 OEAZRMWYNKHUGR-LLVKDONJSA-N 286.397 0.847 0 50 CCAA NC[C@H]1C[C@@H](NC(=O)c2cc(F)cc(C(N)=O)c2)C1 2325786301 AFUMZNVTSVXNKU-DGFRNANFSA-N 265.288 0.392 0 50 CCAA CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 219542 ZYWNIUAZNAEDMD-NSHDSACASA-N 274.386 0.671 0 50 CCAA CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 309292 WCDVWVQYBVCCST-UHFFFAOYSA-N 256.327 0.573 0 50 CCAA CN(C)CCSc1nnnn1-c1ccc(C(N)=O)cc1 3671401 CQYJYRQIEMIIBE-UHFFFAOYSA-N 292.368 0.415 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C)N[C@@H](C)C1 247296087 OHMNGQXFDHOEOH-ATZCPNFKSA-N 271.386 0.117 0 50 CCAA Cc1nc(C)n(CCCNC(=O)c2ccc(C)[nH]c2=O)n1 67894614 CTILFIAAWKTTLR-UHFFFAOYSA-N 289.339 0.712 0 50 CCAA COC(=O)[C@H]1CNCC12CN(C(=O)OC(C)(C)C)C2 409434457 XIPQSKRVVLHMNT-SECBINFHSA-N 270.329 0.616 0 50 CCAA O=C(Nc1ccn([C@H]2CCNC2)n1)[C@H]1CCCOC1 328622488 IKMNAUDZGXIGLN-QWRGUYRKSA-N 264.329 0.783 0 50 CCAA O[C@@]1(Cn2ccnn2)CCCN(c2ncc(Cl)cn2)C1 284431584 FSIAEPYTWADXGH-LBPRGKRZSA-N 294.746 0.753 0 50 CCAA CCc1nc(C)cc(N2CC[C@](O)(c3c[nH]nn3)C2)n1 284630878 TYHDRHAKXMEYQV-CYBMUJFWSA-N 274.328 0.563 0 50 CCAA CO[C@@H](C)C(=O)NC1CCC(NC(=O)[C@@H](C)OC)CC1 330437158 PSOWXORRVFAZAW-ZYANWLCNSA-N 286.372 0.600 0 50 CCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCCNC1 237747094 LNGOYHJIHMZJKT-MRVPVSSYSA-N 292.792 0.412 0 50 CCAA COCc1nnc(C(=O)N(C)CCc2ccccn2)o1 71750767 CEJVPCFZUBMHDO-UHFFFAOYSA-N 276.296 0.926 0 50 CCAA COCC(=O)N1CCC[C@H](N(C)C(=O)COC)CC1 332057990 XRJNGTXOVKOTFE-NSHDSACASA-N 272.345 0.119 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(Cl)cn2C)C1 285016629 ZWOSSQUNCHMYCS-VHSXEESVSA-N 272.732 0.900 0 50 CCAA O=S(=O)(C1CC1)N1CCC[C@H](c2ncno2)C1 375508455 SOAPNGBPONCYAA-QMMMGPOBSA-N 257.315 0.741 0 50 CCAA Cc1nn(C)c2ncnc(N3[C@H]4CC[C@@H]3CC(=O)NC4)c12 72422166 WNKSYWZGLOVDDY-ZJUUUORDSA-N 286.339 0.529 0 50 CCAA CC[C@H](C)[C@H](NC(=O)OC)C(=O)O[C@@H](C)c1nnnn1C 496281745 GSFSPYJLDQXTJW-CIUDSAMLSA-N 299.331 0.585 0 50 CCAA Cc1nc(CN(C)Cc2cccc(OCC(N)=O)c2)no1 215057352 DYEKRANSTDYQOR-UHFFFAOYSA-N 290.323 0.874 0 50 CCAA CN(Cc1cc2n(n1)CCCNC2)Cc1ncc[nH]1 72145404 VAFQTXFAJLTJGM-UHFFFAOYSA-N 260.345 0.732 0 50 CCAA CCN(CC)[C@@H]1CCN(C(=O)N2CCOCC2)C1 135398038 GNZCBTIARUASOY-GFCCVEGCSA-N 255.362 0.855 0 50 CCAA O=C([C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)N1CCN(c2nc[nH]n2)CC1 426506608 JSGSRIRIMVMJLR-NJZULAAPSA-N 287.367 0.745 0 50 CCAA CCC(CC)N1C[C@H](C(=O)N2CCOCCN2)CC1=O 615489848 XBIFZYHJZNERQU-LLVKDONJSA-N 283.372 0.387 0 50 CCAA CC(C)c1cc(C(=O)N[C@@H]2C[C@@H](C(=O)O)N(C)C2)no1 426584615 DXXLROOKTQQHAG-SCZZXKLOSA-N 281.312 0.685 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@H](C(=O)O)C(C)(C)C)cn1C 426583931 FZSLWUFSCMMQQS-LLVKDONJSA-N 280.324 0.923 0 50 CCAA CSCc1nc(CCNC(=O)C2(C(N)=O)CC2)cs1 220209793 OXJBHYVAEMNQKQ-UHFFFAOYSA-N 299.421 0.930 0 50 CCAA CN(CCCc1nccn1C)C(=O)CN1CCCC1 220143216 KWCHYNBXXFWXLI-UHFFFAOYSA-N 264.373 0.907 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(c2cccc(-n3cncn3)c2)C1 199475268 GHCQGAZPDXSBFY-SECBINFHSA-N 272.264 0.705 0 50 CCAA N[C@H]1c2ccccc2C[C@@H]1NC(=O)CN1CCCCC1=O 97413413 UNWLACHXXKJQGV-BBRMVZONSA-N 287.363 0.740 0 50 CCAA CC(C)n1cc(C(=O)N[C@@]2(C(=O)O)CCNC2)cn1 95503194 HKOXYDKSOFHZET-LBPRGKRZSA-N 266.301 0.011 0 50 CCAA CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H](C)[C@H]1CN 236731578 DTPVIXSAKIISPF-VXGBXAGGSA-N 290.429 0.643 0 50 CCAA C[C@@H]1CN(c2nccc(N3CCC(O)CC3)n2)C[C@]1(C)O 92062511 QCUHAALHRIHZAZ-ABAIWWIYSA-N 292.383 0.645 0 50 CCAA O=C(O)C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 98063873 BRLPILKIHYVUJK-MRVPVSSYSA-N 292.247 0.310 0 50 CCAA COCCN1CC[C@@H](C(=O)NCc2c(C)n[nH]c2C)C1 244734543 NHOPKXPAASGOLJ-GFCCVEGCSA-N 280.372 0.611 0 50 CCAA CCn1cnnc1[C@H](C)NC(=O)CSc1nc(C)n[nH]1 243892964 AMRBEHKSHGPDBV-ZETCQYMHSA-N 295.372 0.694 0 50 CCAA Nc1ncc(Cl)cc1S(=O)(=O)N1CCC[C@@H](N)C1 183106645 BMSQGLJNNFRVEW-MRVPVSSYSA-N 290.776 0.429 0 50 CCAA N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2CN2CCOCC2)C1 299753232 XKEYODNAERMRHV-KFWWJZLASA-N 295.427 0.827 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)c2ccnc(C3CC3)n2)C1 299744893 VGFXWZPSPGWPIZ-SECBINFHSA-N 261.281 0.901 0 50 CCAA O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@H]1CCOC1 628206940 ZKXXYMZJEDHYDD-IQJOONFLSA-N 251.286 0.392 0 50 CCAA CC(C)[C@@H](CNc1cncc(C(N)=O)n1)N(C)C 534633521 GTNOIZWYMRTWPP-SNVBAGLBSA-N 251.334 0.574 0 50 CCAA CCn1nc(C)cc1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2N 534590650 FFNZGPVJUVNZLT-PTEHBNRSSA-N 298.412 0.569 0 50 CCAA CN1CCN(CC2(CNC(=O)c3cncnc3)CC2)CC1 534577227 KTUDWDUHTBZRCY-UHFFFAOYSA-N 289.383 0.234 0 50 CCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CCCn1cccn1 534592113 ZJTMLPWFRODATD-VXGBXAGGSA-N 276.340 0.600 0 50 CCAA CC(C)NC(=O)CN1C(=O)[C@@]2(CCNC2)c2ccccc21 1940195030 JICUHUGNFVJYPH-MRXNPFEDSA-N 287.363 0.789 0 50 CCAA CC[C@@H](Cn1ccnc1)NC(=O)CCCN1CCOCC1 822619968 VKKNFIHYWGSMSH-AWEZNQCLSA-N 294.399 0.890 0 50 CCAA CCc1nn(C)c2c(=O)n(CC3(C)COC3)cnc12 584895443 CXAPIPJMYXDKJY-UHFFFAOYSA-N 262.313 0.729 0 50 CCAA CN(C)CC1(CO)CCN([C@H]2CCCOC2)CC1 584900894 OFROZKOBNKIWBC-ZDUSSCGKSA-N 256.390 0.802 0 50 CCAA CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CN3CCC2CC3)C1 950914060 IUECVPYOPOVPNX-ZIAGYGMSSA-N 293.411 0.845 0 50 CCAA CN1CC[C@]2(CCN(c3ccncc3S(N)(=O)=O)C2)C1 1875289489 WCZUOZBNRLKFHY-ZDUSSCGKSA-N 296.396 0.261 0 50 CCAA C[C@H]1C[C@@H](NC(=O)c2cc[nH]c3nccc2-3)C(=O)O1 1875283751 DOZDIXRYUWIVTK-OIBJUYFYSA-N 259.265 0.948 0 50 CCAA C[C@@H](N=c1[nH]ccn2nnnc12)c1cc2n(n1)CCCC2 1875287032 SHEWVJMHFNVPFD-SECBINFHSA-N 284.327 0.647 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCC=C[C@@H]2COC)C1 1875387527 MANANDRKZRUTHJ-GFCCVEGCSA-N 264.325 0.434 0 50 CCAA C[C@@H]1CCO[C@@H]1CC(=O)N1CCc2c(O)nc(O)nc2C1 1875307724 SLDBOACEMJNITM-LDYMZIIASA-N 293.323 0.588 0 50 CCAA CC(=O)N1CC(NC(=O)C2(C3CCN(C)CC3)CC2)C1 1875344157 GHRZHOVOCOTUBD-UHFFFAOYSA-N 279.384 0.455 0 50 CCAA O=C(NCCCc1nc(O)n[nH]1)[C@H]1C[C@@H]2CC[C@H](C1)O2 1875310444 POKNEWJLGLLJAN-OWUUHHOZSA-N 280.328 0.517 0 50 CCAA COc1cccnc1[C@@H](O)CNC(=O)/C=C/CN(C)C 1875377197 VNLVZOXIHKXLRT-ZRQQLDRUSA-N 279.340 0.358 0 50 CCAA O=C([C@@H]1NCC12CCCC2)N1CC[C@@]2(CCNC2)C1 888101875 QHCYVFGKOUTWCR-GXTWGEPZSA-N 263.385 0.731 0 50 CCAA Cn1cc(CNC(=O)NC[C@@H]2CCCC(C)(C)O2)nn1 894121164 XKYJQXVKSGOFKT-NSHDSACASA-N 281.360 0.962 0 50 CCAA COCc1nc(C)cc(N2CC(c3n[nH]c(C)n3)C2)n1 895328274 MCIUJQBHENILNH-UHFFFAOYSA-N 274.328 0.962 0 50 CCAA Cc1cccc(=O)n1CCC(=O)N[C@H]1C[C@H]2OCC[C@@H]12 1565516137 ANMIBAAJVJFBQR-RWMBFGLXSA-N 276.336 0.840 0 50 CCAA CCO[C@@H](C)C(=O)NN1C(=O)N[C@](C)(CC)C1=O 278720134 KOLLLBDRGIRIQV-WRWORJQWSA-N 257.290 0.163 0 50 CCAA O=C(C[C@@H]1CSCCN1)N(C[C@@H]1CCCN1)C1CC1 186517608 RQFJIFMMEUVQKJ-NWDGAFQWSA-N 283.441 0.825 0 50 CCAA CCc1cc(N2CCC[C@@](O)(c3cnn[nH]3)C2)nc(C)n1 583616895 VUSMMZBIMJAORH-AWEZNQCLSA-N 288.355 0.954 0 50 CCAA CC(C)(C)CN1CCC[C@@H](N2CCOC[C@H]2CO)C1=O 585094524 YLMOLZWJUBYILE-CHWSQXEVSA-N 284.400 0.717 0 50 CCAA CC(C)(CO)NC(=O)C(=O)Nc1cccc2nonc12 408519045 VRHKBTQKYMFCDC-UHFFFAOYSA-N 278.268 0.048 0 50 CCAA CNC(=O)C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O 225508672 XVICQXRPJXDYRX-UHFFFAOYSA-N 299.330 0.890 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2n[nH]cc2C)C1 643757020 DZUFOADQVZGWNU-ZDUSSCGKSA-N 266.345 0.181 0 50 CCAA CCOc1ccc(CC(=O)N2CC[C@H](CO)[C@H](O)C2)cc1 191984521 MMTRYJTVQAFBJS-UKRRQHHQSA-N 293.363 0.830 0 50 CCAA CCN1C[C@H](CNC(=O)[C@@H](CC(C)(C)C)NC)CC1=O 653251378 XEJWHBSNIAICBJ-NWDGAFQWSA-N 283.416 0.995 0 50 CCAA CN(C)c1nccc(CN[C@H](C(N)=O)C(C)(C)C)n1 195573549 YDHGGHKLFGRLIK-SNVBAGLBSA-N 265.361 0.532 0 50 CCAA Cc1ccc([C@@H](O)CN2CC[C@H](S(N)(=O)=O)C2)cc1 772220481 BATKRZLBGFTBGG-STQMWFEESA-N 284.381 0.391 0 50 CCAA Cc1csc(CN(C)C(=O)CSc2nc(N)n[nH]2)n1 1506406089 FLQJZQOIHQJXLM-UHFFFAOYSA-N 298.397 0.903 0 50 CCAA CCc1ccc(NC(=O)C[C@H]2NCCNC2=O)cc1 541706 KJSHSFZYOCQJEO-GFCCVEGCSA-N 261.325 0.666 0 50 CCAA CCNC(=O)[C@H]1CCN(c2ncc(OC)cn2)C1 1529104002 JUULBIUHSYINAP-VIFPVBQESA-N 250.302 0.448 0 50 CCAA CC(C)n1cnnc1CN(C)c1n[nH]c(=N)s1 1857667529 VUMPYPLHUHDCTJ-UHFFFAOYSA-N 253.335 0.759 0 50 CCAA Cc1nc[nH]c1CN1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704311881 VPNRWBDDIMGEPU-TXEJJXNPSA-N 265.269 0.079 0 50 CCAA COCCn1cc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c(O)nc1=O 1615586214 RLODQSFVTNCQSC-KGYLQXTDSA-N 293.367 0.874 0 50 CCAA CC(=O)N1CC(C(=O)N2CCCO[C@@H]3CCC[C@H]32)C1 364961819 JJXXJAUPQOVFGZ-CHWSQXEVSA-N 266.341 0.635 0 50 CCAA C[C@H](N)C(=O)N[C@@](C)(C(N)=O)c1cccc(Cl)c1 262480124 RISWFWIQXGRIKL-JVXZTZIISA-N 269.732 0.504 0 50 CCAA Cn1nncc1C1(O)CN(c2ccncc2C(F)(F)F)C1 1646639414 JVBCXGVJVMSOHK-UHFFFAOYSA-N 299.256 0.937 0 50 CCAA CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1=O 19840294 IYZVALKBAGYKCD-UHFFFAOYSA-N 262.265 0.330 0 50 CCAA c1cn([B-](n2ccnc2)(n2ccnc2)n2ccnc2)cn1 169747384 BUWMNJVCYDTDOJ-UHFFFAOYSA-N 279.096 0.401 0 50 CCAA c1ccc2c(c1)nc(N1CCOCC1)c1nnnn12 4922945 ZWCDNRRJJHQTGV-UHFFFAOYSA-N 256.269 0.509 0 50 CCAA O=C(C1CCC1)N1C[C@@H]2C[C@H](CO)[C@H](CO)[C@@H]2C1 1857673816 ZGOGTFRFCNHOEM-LOWDOPEQSA-N 253.342 0.482 0 50 CCAA O=C1CCOC2(CCN(CC[C@H]3COCCO3)CC2)CN1 1857722897 SCXODPYAIFPFID-ZDUSSCGKSA-N 298.383 0.163 0 50 CCAA Cc1noc(C)c1CNC(=O)[C@H]1CCc2ncnn2C1 1857736319 JMZHBKNHJLAAIX-JTQLQIEISA-N 275.312 0.762 0 50 CCAA COC(=O)[C@@H]1CCc2nnc(C(=O)NC(C)C)n2C1 601043794 BNUDDTQDJHJBBQ-MRVPVSSYSA-N 266.301 0.152 0 50 CCAA C[C@H]1C[C@@H](CN2CCN(c3cnn(C)c3)C(=O)C2)CCO1 408145706 ULHUVUSHPMGLRN-STQMWFEESA-N 292.383 0.884 0 50 CCAA CCOc1nc(C(=O)N2CCC[C@](CO)(OC)C2)co1 617800893 BTBTUFAOCKDRHH-ZDUSSCGKSA-N 284.312 0.687 0 50 CCAA COCCN(CC(=O)O)C(=O)c1cc(C)nc(O)c1 426424260 MVIYCPPLAVVSHS-UHFFFAOYSA-N 268.269 0.269 0 50 CCAA CCc1cc(C(=O)N2CC[C@](OC)(C(=O)O)C2)n(C)n1 634805147 FUVOKALAQWHQML-CYBMUJFWSA-N 281.312 0.298 0 50 CCAA O=C1CCCN1C[C@@H](O)CN1CCOCC12CCCC2 367167009 CBVZFOKTELGSGB-CYBMUJFWSA-N 282.384 0.615 0 50 CCAA CCCn1ncnc1CN1CC[C@H](N2CCOCC2)C1 369477199 RZHLFONOSSNLKU-ZDUSSCGKSA-N 279.388 0.595 0 50 CCAA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCc1ccnc(O)c1 2325763067 QOGORKOVRXNQMW-NSHDSACASA-N 296.348 0.394 0 50 CCAA O=C(NC1(c2nc[nH]n2)CC1)C1=CCCSC1 2325802212 QIUSKPBFWKWUQK-UHFFFAOYSA-N 250.327 0.973 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1CC(=O)NCc1cccnc1 344342806 BEHBLKKNQNBFJZ-UONOGXRCSA-N 293.367 0.434 0 50 CCAA CCCCn1nc(CC(N)=O)nc1Cc1cn(C)nc1C 2356167966 KHUZNZKPSGMEQW-UHFFFAOYSA-N 290.371 0.739 0 50 CCAA O=S(=O)(NCCc1ncc[nH]1)N1CCCCC1 141484825 NPFANETYKXDXCU-UHFFFAOYSA-N 258.347 0.273 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)C1(C)CC1 67884954 SEELZSGTPBTKEM-MNOVXSKESA-N 267.373 0.583 0 50 CCAA CCc1nc(N)sc1C(=O)N1[C@H]2CC[C@@H]1CC(=O)NC2 65532666 AZACRGNEKIPNNP-SFYZADRCSA-N 294.380 0.781 0 50 CCAA COCCN1CCC[C@@](O)(CNCc2ccsc2)C1=O 67692538 CCPFZPBFXWHOSH-CQSZACIVSA-N 298.408 0.838 0 50 CCAA Nc1nc(CCCN2C[C@H](C(=O)O)CC2=O)cs1 65495597 ZOPYEBXZIBVDSV-SSDOTTSWSA-N 269.326 0.591 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)COCC(F)(F)F 232325132 NGHYNHCCMGQQSV-ZETCQYMHSA-N 285.218 0.267 0 50 CCAA O=C(c1cnn2ncccc12)N1CC(=O)N(C2CC2)C1 329829214 DNZNBTUJASNNMY-UHFFFAOYSA-N 271.280 0.134 0 50 CCAA Cn1nncc1S(=O)(=O)N1CCC[C@@H](n2cccn2)C1 330055447 UKIZTHAFAGYFGZ-SNVBAGLBSA-N 296.356 0.037 0 50 CCAA COC[C@@H](C)C(=O)N1CCCC[C@H]1c1nc(O)n[nH]1 330806486 LGXHMSQSOVXEHW-BDAKNGLRSA-N 268.317 0.846 0 50 CCAA NC(=O)c1cccnc1N1CCO[C@@H](C(F)(F)F)C1 71575278 HEKFOOGVOSPFKS-MRVPVSSYSA-N 275.230 0.948 0 50 CCAA NC[C@@H]1CCCN1C(=O)c1n[nH]c2ccccc2c1=O 237976269 OZFYZGIUVDVRNH-VIFPVBQESA-N 272.308 0.486 0 50 CCAA COC(=O)CCN1C[C@@H](C)N(CCC(=O)OC)C[C@H]1C 71771293 VSGRPYHDZGUYJH-VXGBXAGGSA-N 286.372 0.507 0 50 CCAA COCC(=O)N1CC[C@H](N(C)Cc2noc(C)n2)C1 370291725 QAGQPIIJSIPOMY-JTQLQIEISA-N 268.317 0.057 0 50 CCAA COc1c(C)cc(S(=O)(=O)NCC(=O)O)cc1C 262235464 NSBOGDIIIHRHKL-UHFFFAOYSA-N 273.310 0.675 0 50 CCAA CCS(=O)(=O)NCCNc1cc(N2CCCC2)ncn1 72441587 WEJANUCVVIYINK-UHFFFAOYSA-N 299.400 0.428 0 50 CCAA O=C1CC[C@H]2CN(Cc3ncc[nH]3)CC[C@H]2N1CCCO 72410201 LZLGQHROEXHUMV-QWHCGFSZSA-N 292.383 0.605 0 50 CCAA C[C@@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)N(C)C 285540482 PYBGVNZBPYLZTJ-OUCADQQQSA-N 294.399 0.954 0 50 CCAA CN(CCO)c1nc(-c2ccncc2)nc2c1CCNC2 71748734 SNBXHFXTMZSKPL-UHFFFAOYSA-N 285.351 0.613 0 50 CCAA CC(C)c1nc(CN2CCc3nn(C)c(=O)cc3C2)n[nH]1 292424555 LKQCCMIDROSMLK-UHFFFAOYSA-N 288.355 0.580 0 50 CCAA CCOc1cc(C(=O)NC[C@H](C2CC2)N(C)C)[nH]n1 1542140952 ANDHWDRPTZRFMP-LLVKDONJSA-N 266.345 0.878 0 50 CCAA Cn1ccnc1CC1CCN([C@@H]2CCNC2=O)CC1 178199934 PMDJNYZBTWOADI-GFCCVEGCSA-N 262.357 0.563 0 50 CCAA CCc1nccn1CC(=O)NCc1cnc2cnccn12 221390061 LGLGRGRLVDVNMO-UHFFFAOYSA-N 284.323 0.805 0 50 CCAA O=C(NCc1nncn1-c1ccccc1)N[C@@H]1CCOC1 179111533 MFQYFQYCQONKQH-LLVKDONJSA-N 287.323 0.855 0 50 CCAA O=C(C[C@@H]1CCCOC1)NCCCn1ccnn1 193800163 AYBWMYKPCQHUQP-NSHDSACASA-N 252.318 0.601 0 50 CCAA Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)n1 92431089 CAKCPDFXOXAYKC-NSHDSACASA-N 263.297 0.165 0 50 CCAA COCc1cccc(C(=O)NCC(=O)NC(C)C)n1 97813886 IHZUVQNQEQOXPU-UHFFFAOYSA-N 265.313 0.482 0 50 CCAA Cc1nnnn1CCCN1C[C@H](C2CC2)[C@@H](N(C)C)C1 91951579 CMILYWJFCGZWJB-KGLIPLIRSA-N 278.404 0.644 0 50 CCAA CCn1nncc1C(=O)N(C(C)C)[C@H]1CCOC1 294757764 QOOGROLRENAOHT-JTQLQIEISA-N 252.318 0.938 0 50 CCAA Cc1ccc2nc(CN3CCOCS3(=O)=O)cn2c1 91894523 SKWLBGRRYBOOMX-UHFFFAOYSA-N 281.337 0.762 0 50 CCAA COCCN(C)C[C@@H]1CN(c2nccs2)C[C@@H]1CO 91585631 SLIYLXDDZJILOH-VXGBXAGGSA-N 285.413 0.766 0 50 CCAA COC(=O)c1cn(CCCC(=O)O)cc2c(O)nnc1-2 524731376 VGKGPCIUKGZMIA-UHFFFAOYSA-N 279.252 0.740 0 50 CCAA biogenic Cc1ncnc(C)c1C(=O)NCCc1nccn1C 534574552 RQGLAUNINTTZJU-UHFFFAOYSA-N 259.313 0.799 0 50 CCAA Cc1cnn([C@H](C)CNC(=O)c2ccc3nnnn3c2)c1 534578196 ZPZUBSXFUQEOFZ-SNVBAGLBSA-N 285.311 0.620 0 50 CCAA CN1C(=O)C[C@](CC(=O)O)(c2cccc(F)c2)C1=O 299795343 OHUMZUUTRYQLRK-ZDUSSCGKSA-N 265.240 0.927 0 50 CCAA O=C(NC[C@@H]1CCC2(CCNCC2)O1)C1CCOCC1 299794234 JWFRZYARQZAIOA-ZDUSSCGKSA-N 282.384 0.830 0 50 CCAA COCCN(C)CC(=O)NCc1cc(C(C)(C)C)n[nH]1 299798509 QEWDLPLQQGTIDM-UHFFFAOYSA-N 282.388 0.902 0 50 CCAA C[C@H](CS(C)(=O)=O)N1CCC(CO)(CN(C)C)CC1 828690367 YAGOZFLAZFIULJ-GFCCVEGCSA-N 292.445 0.056 0 50 CCAA COCCN(C)CC(=O)N(C)C[C@H]1CCCN(C)C1 824405757 UYUQMRUOPGJNLI-ZDUSSCGKSA-N 271.405 0.365 0 50 CCAA Cc1nn[nH]c1C(=O)N1CC[C@H](O)CC(C)(C)C1 584892111 LPGBXKJQWYDVLD-VIFPVBQESA-N 252.318 0.736 0 50 CCAA COCCN1CC[C@@H](CNC(=O)CN2CCCC2)C1 824412485 XMPSFAVSIXCEPX-ZDUSSCGKSA-N 269.389 0.167 0 50 CCAA CCOC(=O)N1CC[C@H](NCCc2nc(C)cc(O)n2)C1 584889467 GENJYFNKPLKWFB-NSHDSACASA-N 294.355 0.854 0 50 CCAA N[C@@H]1CCN[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C1 757215664 WOHMZBZVPKGQFU-QCLAVDOMSA-N 251.296 0.996 0 50 CCAA CCn1cc(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)nn1 1553521122 UEIVSDXWDNGIKW-LLVKDONJSA-N 278.360 0.321 0 50 CCAA C[C@H](CN1CCOCC1)N(C)Cc1cccnc1N 952882736 KJWXTSGLCAIMDH-GFCCVEGCSA-N 264.373 0.816 0 50 CCAA Cc1oncc1CNS(=O)(=O)c1c(N)noc1C 952883190 YPVGZVIWMSJZOX-UHFFFAOYSA-N 272.286 0.340 0 50 CCAA C[C@@H](NC[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)O 1875335482 OCOAHBCMSKVHIJ-BDAKNGLRSA-N 261.343 0.264 0 50 CCAA C[C@H](c1ccon1)N(C)C(=O)[C@H]1CCCN(CC(N)=O)C1 952964295 PDCJEIQGSZOQMR-MNOVXSKESA-N 294.355 0.391 0 50 CCAA CCn1cc([C@@H](C)NC(=O)[C@@H]2CN(C)CCO2)cn1 1337251881 FRDXFDMGPYLLJS-PWSUYJOCSA-N 266.345 0.411 0 50 CCAA NC(=O)[C@@H]1CC[C@H](C(=O)OCCC(F)(F)F)O1 170617325 IGYFFQRVXDCFFK-NTSWFWBYSA-N 255.192 0.515 0 50 CCAA COC[C@@H]1CN(C(=O)c2noc(C)n2)CC(C)(C)O1 408027947 QBTIEAAVUGMPTD-VIFPVBQESA-N 269.301 0.644 0 50 CCAA COC[C@@H]1CN(C(=O)Nc2cnns2)CCO1 192333910 BLSBJRPYBXBCRD-ZETCQYMHSA-N 258.303 0.417 0 50 CCAA NC(=O)[C@]1(NC(=O)c2coc3cc(F)ccc23)CCOC1 655321563 XRROKVDPLODDMM-AWEZNQCLSA-N 292.266 0.946 0 50 CCAA C[C@H]1CC[C@H](N2CCN(CCOCCO)CC2)C1 23280152 HXVIECWWFQJMOW-KBPBESRZSA-N 256.390 0.802 0 50 CCAA CCCN1C[C@H](Nc2nccnc2OC)CC1=O 1506431570 PLZZEFAZQPDQQD-SECBINFHSA-N 250.302 0.908 0 50 CCAA Cc1nncn1CCN1CCC(O)(c2cccnc2)CC1 1506414494 ZYCHIGXMTHKOBQ-UHFFFAOYSA-N 287.367 0.965 0 50 CCAA CC(C)N1CCCN(c2cc3nncn3c(N)n2)CC1 1529098345 AYRRCZISBTWFIP-UHFFFAOYSA-N 275.360 0.627 0 50 CCAA Cn1ccn2ncc(C(=O)Nc3cnn4c3NCCC4)c12 1529101343 DVLQARBEPVYZIC-UHFFFAOYSA-N 285.311 0.937 0 50 CCAA O=C(NC[C@H]1CCNC[C@@H]1O)C1(N2CCCC2)CCCC1 215396940 BXRXKPITMRGNKE-KGLIPLIRSA-N 295.427 0.482 0 50 CCAA O=C(c1cn[nH]c1)N1CCN(Cc2cscn2)CC1 332084979 FBWGJLAPAKNIHV-UHFFFAOYSA-N 277.353 0.824 0 50 CCAA Cn1cncc1C(=O)N1CCC[C@](C)(C(=O)O)C1 236069863 PZXGWRNYWLCSEX-LBPRGKRZSA-N 251.286 0.747 0 50 CCAA Cc1cc(COCC(=O)N[C@H]2C[C@@H](N)C23CCC3)no1 1615555754 XSMAPIXZEIFTCV-NEPJUHHUSA-N 279.340 0.886 0 50 CCAA CNc1nc(Oc2ccc(=O)n(C)n2)nc(SC)n1 465450 BVKJXPVZPIIZOB-UHFFFAOYSA-N 280.313 0.521 0 50 CCAA Cn1nncc1S(=O)(=O)N1CCC[C@H](n2cccn2)C1 330055446 UKIZTHAFAGYFGZ-JTQLQIEISA-N 296.356 0.037 0 50 CCAA Cc1nc2ncc3c(=O)n(CCCN(C)C)ccc3n2n1 13638712 BZFPFADZJKMVJN-UHFFFAOYSA-N 286.339 0.699 0 50 CCAA C[C@@H]1C[C@H](C(=O)N2CCC(n3cnnc3O)CC2)CO1 655042156 GFNHSQSPLGMBIE-ZJUUUORDSA-N 280.328 0.572 0 50 CCAA COc1ccncc1NC(=O)CN1CCCC[C@H](O)C1=O 644339356 YEIFEJTUGAQJRD-NSHDSACASA-N 293.323 0.402 0 50 CCAA O=C(O)CCNC(=O)c1cc(-n2cccn2)ccn1 238184497 CLOGDJSSRZKSFC-UHFFFAOYSA-N 260.253 0.472 0 50 CCAA C[C@@H]1Nc2ncnn2[C@H](c2ccccc2)[C@H]1C(N)=O 238900823 KHVFOVZLSROISH-INTQDDNPSA-N 257.297 0.783 0 50 CCAA CN[C@H]1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 133063404 WAKBVFNCUFUDCO-LBPRGKRZSA-N 291.351 0.375 0 50 CCAA COC[C@@H]1COCCN1C(=O)[C@@H]1OCC[C@@H]1C(C)C 906464473 HMBVMJFEDBMGPC-JHJVBQTASA-N 271.357 0.921 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2C[C@H](NC(=O)C3(O)CCC3)[C@@H]2C1 907951953 HBPRFYWVCKZVDS-KYXWUPHJSA-N 253.298 0.517 0 50 CCAA CC1(c2ccccc2C(=O)N[C@@H](CO)C(N)=O)CC1 935925636 DMQXMMKQLHOISY-NSHDSACASA-N 262.309 0.314 0 50 CCAA CCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 268097 QIVWLUXRJPUQBX-UHFFFAOYSA-N 286.353 0.777 0 50 CCAA O=C(O)CCN(CC1CC1)C(=O)[C@@H]1COCCO1 675971472 XTBGEVZJNPEEOZ-JTQLQIEISA-N 257.286 0.115 0 50 CCAA COc1ncccc1C(=O)NC1(CC(=O)O)CC1 398403763 IPDKBSYFUGEYFH-UHFFFAOYSA-N 250.254 0.827 0 50 CCAA Cn1ncc(S(=O)(=O)N2CCCCC23CC3)c1C(=O)O 2325805908 CLQRGMIOJVJABB-UHFFFAOYSA-N 299.352 0.826 0 50 CCAA O[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cnc[nH]1 344602649 IJTQQOVAFBAHBX-YNEHKIRRSA-N 251.330 0.772 0 50 CCAA Cc1cc(=O)oc2cc(NC(=O)[C@@H]3C[C@@H](O)CN3)ccc12 4899582 PCWCKAVECMRKHV-PWSUYJOCSA-N 288.303 0.763 0 50 CCAA O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1)c1ccccc1 101827099 OVHZCESSRWPSTC-DDHJBXDOSA-N 284.271 0.270 0 50 CCAA CC[C@H](OC)C(=O)N1CCc2c(c(C(=O)O)nn2C)C1 67447295 RQDGBNUSXNXZOE-JTQLQIEISA-N 281.312 0.428 0 50 CCAA CCS(=O)(=O)N1C[C@H](C(=O)O)Oc2ccccc21 22172485 OTUARFQEKVJAJN-SNVBAGLBSA-N 271.294 0.688 0 50 CCAA C[C@H](C(N)=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 229433576 SPZDGMWEMMYXPR-MWLCHTKSSA-N 253.346 0.098 0 50 CCAA CS(=O)(=O)CCNC(=O)C1(N2CCCC2)CCCC1 65366205 FIOZRIVTVIENSF-UHFFFAOYSA-N 288.413 0.556 0 50 CCAA CN1CCN(C(=O)c2cncc(O)c2)C[C@H]1c1ncc[nH]1 328644559 RVEPTARPTVQUMN-LBPRGKRZSA-N 287.323 0.639 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@@]1(C)CCCO1 151304863 SXRFKTPEXZDGGF-GXSJLCMTSA-N 263.359 0.447 0 50 CCAA O=S1(=O)CCC[C@@H](CS(=O)(=O)[C@H]2CCCOC2)C1 328898267 WNSVRSLXLHPJHG-MNOVXSKESA-N 296.410 0.405 0 50 CCAA O[C@@]1(CNCCc2ccc3c(c2)OCO3)CCCNC1 72463591 DTHLIBSXDXXFGP-HNNXBMFYSA-N 278.352 0.662 0 50 CCAA O=C(O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 368755501 CEFODDSFQMNJDD-LLVKDONJSA-N 276.292 0.378 0 50 CCAA CCCCOC[C@H]1C[C@]2(SC(N)=NC2=O)C(=O)O1 32498116 RHCXEJOXBSSRKO-RDDDGLTNSA-N 272.326 0.446 0 50 CCAA O=C(Nc1cn[nH]c1)C1(n2cccn2)CCNCC1 261984255 RYKZNZCXNFMMCK-UHFFFAOYSA-N 260.301 0.324 0 50 CCAA CC(C)N1C[C@@H](C(=O)N(C[C@H](C)C(=O)O)C2CC2)CC1=O 236833091 ZRYFIFXDARKCOY-QWRGUYRKSA-N 296.367 0.955 0 50 CCAA NC(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)O)nc1 262231562 AGIVAKOFHKSQNV-JTQLQIEISA-N 277.280 0.260 0 50 CCAA CCN1C[C@@H](C(=O)NCCc2nc(C)cs2)CC1=O 78473706 UUQOQUQWAPBJAR-JTQLQIEISA-N 281.381 0.979 0 50 CCAA COC[C@@H](NC(=O)Cn1ccnc1)c1ccccn1 219832241 DZEZLTJOBMFLAL-GFCCVEGCSA-N 260.297 0.782 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N(C)CC1(O)CCCC1 286217897 BISCXYRBIZMKPM-UHFFFAOYSA-N 287.385 0.654 0 50 CCAA Cc1nc(CCNC(=O)[C@H]2CNCCO2)sc1C 72122339 CBEFDBOGQOKLFH-SNVBAGLBSA-N 269.370 0.407 0 50 CCAA CC(=O)c1cc(CN2CC(N3CCOCC3)C2)n(C)c1 215971235 BCQNKYXHWFDQPF-UHFFFAOYSA-N 277.368 0.744 0 50 CCAA COc1ccccc1[C@H](O)CNC(=O)[C@@H]1CSCN1 178028969 BSUFWCHLHHFZMA-WDEREUQCSA-N 282.365 0.507 0 50 CCAA CC(C)c1nc(CCN(C)C(=O)CN(C)C)no1 223511001 LANDNERLKBJKJD-UHFFFAOYSA-N 254.334 0.756 0 50 CCAA Cc1cc(=O)[nH]c(NCCNC(=O)[C@H]2CCC[C@@H](O)C2)n1 220015833 NJPSQNDIGVYPNY-WDEREUQCSA-N 294.355 0.158 0 50 CCAA Cc1nccn1CC(=O)N1CCN(C2CCCC2)C(=O)C1 223558112 GNAHJYKDVZGIPY-UHFFFAOYSA-N 290.367 0.805 0 50 CCAA Cc1c(C(=O)N2C[C@H](N(C)C)C[C@H]2C(=O)O)ccn1C 426442729 VMZJVEJZFSIFNJ-PWSUYJOCSA-N 279.340 0.563 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)CC[C@@H]1CCCCN1C 426562826 FIJACJBXLLFTDR-ZDUSSCGKSA-N 299.415 0.726 0 50 CCAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(c1ccccn1)CC2 95378596 NOCIPYCAUURYNM-NSHDSACASA-N 289.335 0.984 0 50 CCAA COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(C(C)C)C(=O)[C@H]13)O2 239121307 JRWQJZGOGNTXGY-DNJQJEMRSA-N 251.282 0.350 0 50 CCAA CC(=O)N1CSC[C@@H]1C(=O)N(C)C1CCNCC1 237091143 OLFQARPCFICVRT-LLVKDONJSA-N 271.386 0.118 0 50 CCAA CCOC[C@H](O)CNc1nc(N)nc(CC)c1C 92078293 RHAIJTLBCDHJIB-SECBINFHSA-N 254.334 0.739 0 50 CCAA Cn1ccnc1C(=O)N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1 244673848 HWRAHIZRQMIBQK-AVGNSLFASA-N 292.383 0.289 0 50 CCAA C[C@H]1C[C@H]1CNS(=O)(=O)c1cccc(C(N)=O)c1 298804627 HHIKMIJNIHLRSQ-WPRPVWTQSA-N 268.338 0.720 0 50 CCAA COC(=O)[C@H]1[C@H]2[C@H]3[C@H]4[C@H]([C@H]1C(=O)OC)[C@H]1[C@H]2[C@@H]3[C@@]41C 253596756 VTUWEGRJJIFTKA-HFKFNGLQSA-N 262.305 0.953 0 50 CCAA Cc1nc(O)c(Cl)c(NC[C@@H](O)CN(C)C)n1 534666098 AGEYALXANFSNAZ-SSDOTTSWSA-N 260.725 0.478 0 50 CCAA CN(C[C@H](O)CO)C(=O)NC/C=C/c1ccccc1 534579066 ZBOFPTQXYBHEJT-LJLILKBBSA-N 264.325 0.694 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)Cc1c(C)noc1C 534662658 VTPZUUCKLSEQDU-RYUDHWBXSA-N 268.313 0.754 0 50 CCAA C[C@H](CN1CCCC1)C(=O)NCCc1cc[nH]n1 534577647 PMZRGIVKMLJSQA-LLVKDONJSA-N 250.346 0.800 0 50 CCAA CN1CCCN(CC(=O)N2C[C@H]3CC[C@H](C3)C2)CC1 584901932 YNGAPYNNBAFVJQ-OKILXGFUSA-N 265.401 0.882 0 50 CCAA CN(C)C(=O)[C@H]1CN(C2Cc3ccccc3C2)CCO1 584902209 DSNGHAQXGGDWGZ-OAHLLOKOSA-N 274.364 0.943 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C1 1875273160 BWROBTYZJAYTCT-XMXMHJJKSA-N 296.367 0.773 0 50 CCAA Cc1nnc([C@@H]2CCCN2C(=O)C2OCCO2)o1 1875311681 JRPFVTMIBYYELF-QMMMGPOBSA-N 253.258 0.414 0 50 CCAA CN1Cc2ccccc2C[C@H]1CN(C)S(C)(=O)=O 952971742 TWUQVCICJLFPOQ-ZDUSSCGKSA-N 268.382 0.935 0 50 CCAA Cc1nn2cc(CNC(=O)c3nccn3C)nc2s1 952990858 ULMSTRWYOHQUBV-UHFFFAOYSA-N 276.325 0.763 0 50 CCAA O=C(NCc1cnn(CCF)c1)c1cnn2c1OCCC2 888329077 LAGJFKFBXVGBRR-UHFFFAOYSA-N 293.302 0.762 0 50 CCAA C[C@@H]1CCOCCN1C(=O)c1cccn2nnnc12 897307581 RSHMJUMWGJZGGN-SECBINFHSA-N 261.285 0.375 0 50 CCAA Cn1nc(C(=O)N[C@]23CCC[C@H]2NCC3)cc1O 1342438270 VZWHYMZHVRZWTG-SKDRFNHKSA-N 250.302 0.140 0 50 CCAA CCN(CC1CC1)C(=O)c1cccn2c(=O)[nH]nc12 272781622 VGGUSPSEXWXWHW-UHFFFAOYSA-N 260.297 0.895 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 85221780 OULNMKPQUKNAHO-RKDXNWHRSA-N 259.302 0.777 0 50 CCAA in-vitro C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cncc2ncn(C)c12 630391993 IDOQGUXVCBTBEA-WPRPVWTQSA-N 287.323 0.365 0 50 CCAA C[C@@]1(O)CCN(Cc2nc3ccccc3[nH]2)C[C@@H]1O 97532144 KEVHHEJUAYVTFP-GXTWGEPZSA-N 261.325 0.881 0 50 CCAA O=C(NCCn1c(S)nnc1C1CC1)C1(O)CCCC1 170644401 DMKLTSYHRSTGCB-UHFFFAOYSA-N 296.396 0.866 0 50 CCAA CCN(CC)CC(=O)N1CCS(=O)(=O)CC[C@@H]1C 170614075 XOLCGICZBDXNOI-NSHDSACASA-N 276.402 0.364 0 50 CCAA CC(C)c1nnc(C(=O)N2CC[C@H](C(N)=O)C2)s1 408428290 UGWCZCHECLQXGY-ZETCQYMHSA-N 268.342 0.609 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)NCC1=CCCCC1 644490561 NQDWKXRAZAKIBD-CYBMUJFWSA-N 280.368 0.976 0 50 CCAA C[C@H]1C(=O)NCCCN1C(=O)c1cccc2c1OCO2 191767149 POMZULRDRQNJFR-VIFPVBQESA-N 276.292 0.766 0 50 CCAA CCc1nc(C(C)(C)NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)no1 560499292 ZARDTKLVBOGKRF-IUCAKERBSA-N 294.355 0.898 0 50 CCAA CO[C@@H](C)C(=O)NS(=O)(=O)CCc1ccccc1 195072261 PGOGVHHCXZWYQT-JTQLQIEISA-N 271.338 0.710 0 50 CCAA CCc1cc(C(=O)N2CCOC[C@H]2CCO)n(C)n1 694903340 HANYJXFBLURQBN-LLVKDONJSA-N 267.329 0.206 0 50 CCAA O=C(C=C1CCC1)N1CCC[C@@](O)(Cn2ccnn2)C1 794586312 SPYPFMOYYWVEKI-AWEZNQCLSA-N 276.340 0.742 0 50 CCAA CCN1CC[C@H](CN(CC)CCn2cnnc2)C1 1506418491 UEDRXDPXLDYDCP-ZDUSSCGKSA-N 251.378 0.942 0 50 CCAA CN=c1[nH]nc([C@@H]2CCCN(S(C)(=O)=O)C2)s1 1857526019 YTJAYDYDFXFEHU-SSDOTTSWSA-N 276.387 0.141 0 50 CCAA CCCO[C@@H]1CC[C@H](C(=O)NCc2ncon2)C[C@H]1N 1857724565 HVIDJMIRUOYSMK-HBNTYKKESA-N 282.344 0.608 0 50 CCAA CNc1ccnc(NCCSc2nc[nH]n2)n1 1529112852 SFBVCMPGMOYUTA-UHFFFAOYSA-N 251.319 0.841 0 50 CCAA Cc1nc(N(C)C)nc(N2CC(C(=O)O)C2)c1C 1704314878 XCSFFBOFJOXWNB-UHFFFAOYSA-N 250.302 0.680 0 50 CCAA CCCn1c(C)nnc1CN1C[C@@H](F)C[C@H]1CO 332659797 FTMQXAFHFXPRTQ-QWRGUYRKSA-N 256.325 0.901 0 50 CCAA C[C@@H](C(N)=O)[C@@](O)(Cn1cncn1)c1cc(F)ccc1F 144692197 ARTKJILLNLYJNZ-SDBXPKJASA-N 296.277 0.566 0 50 CCAA in-vitro C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cscn1 120938673 WMBXLLKSOPVXCL-HTQZYQBOSA-N 274.367 0.791 0 50 CCAA CC1(C)OC[C@@H]2CNC[C@@]21C(=O)NCc1ccc(O)nc1 1616038760 JYWFPJXJPUUCHN-NHYWBVRUSA-N 291.351 0.418 0 50 CCAA CCc1nccn1CCC(=O)N1CCC([C@H](O)CO)CC1 1772710954 XMZJXTJXIRTWCX-CYBMUJFWSA-N 295.383 0.427 0 50 CCAA CC(C)(C)N1CC[C@H](NC(=O)c2cnc(C(N)=O)cn2)C1 1772708032 BYBWDDHHTKHAAB-VIFPVBQESA-N 291.355 0.178 0 50 CCAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 16637263 LCZKSVCCOMAQIZ-WDEREUQCSA-N 276.402 0.963 0 50 CCAA Cn1cncc1C(=O)NC[C@H]1COc2ccccc2O1 19143954 JCDLNSGQUDXWQF-JTQLQIEISA-N 273.292 0.990 0 50 CCAA CN(C(=O)c1cccc(OCC(N)=O)c1)c1cnn(C)c1 358618365 TZYQTEUZDWBTOY-UHFFFAOYSA-N 288.307 0.561 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)CC[C@@H]1C 399238099 HXKYOYZXYUJEQA-KWQFWETISA-N 251.330 0.941 0 50 CCAA C[C@H]1C(=O)NCCN1CCOc1ccccc1C(=O)O 113212125 RWSRNHDGNHLNFU-JTQLQIEISA-N 278.308 0.584 0 50 CCAA COCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 4968936 CNOXFZUOGLRBTL-UHFFFAOYSA-N 298.364 0.520 0 50 CCAA CC[C@H]1CN([C@H]2CCN(c3cnn(C)c3)C2=O)CCO1 239761640 CKBHQOPVASVGGS-STQMWFEESA-N 278.356 0.636 0 50 CCAA COc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2)c1OC 151100468 DCZZYSPIQVQCHX-WDEREUQCSA-N 280.324 0.043 0 50 CCAA O=C(O)CCCNC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 263501341 VOOMSVIANRTZJE-UWVGGRQHSA-N 283.328 0.304 0 50 CCAA CCc1nsc(NCCN2C(=O)CCC2=O)n1 267351799 GOSBSDWFYLIUSD-UHFFFAOYSA-N 254.315 0.661 0 50 CCAA NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 334247900 WNLRRMGMJIGRNN-SNVBAGLBSA-N 288.756 0.843 0 50 CCAA Cc1cc(N2CC[C@@](F)(CO)C2)n2ncnc2n1 338420519 HXVUUKXUADICOT-NSHDSACASA-N 251.265 0.343 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)COC2CCCCC2)C1 345336389 XKCYXOPAMBBLTM-WCQYABFASA-N 271.357 0.944 0 50 CCAA CNS(=O)(=O)[C@@H]1CCCN(Cc2ccc(CO)cc2)C1 374912347 KCUZACNNDIEKNQ-CQSZACIVSA-N 298.408 0.693 0 50 CCAA CC[C@](C)(O)c1cn(Cc2nsc(N(C)C)n2)nn1 699164551 UKJFMPGIBGKPDZ-NSHDSACASA-N 282.373 0.861 0 50 CCAA N[C@@H]1CC12CC(NC(=O)c1ccc3c(c1)CCNC3=O)C2 2325774940 JKHJHYNRPLZILH-RYCVTPFZSA-N 285.347 0.582 0 50 CCAA COC[C@H]1CCCN(C(=O)NCc2ccnn2C)C1 113594510 SWLNYNCMVQWTKQ-NSHDSACASA-N 266.345 0.988 0 50 CCAA CN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)OCCO2 4298468 DSJUQKNWXHWJKW-UHFFFAOYSA-N 287.293 0.163 0 50 CCAA CC(=O)N1CCC(N[C@@H]2CCCCNC2=O)CC1 8553376 IXLTVIADRKWHNE-GFCCVEGCSA-N 253.346 0.256 0 50 CCAA O=C(O)c1ccc(OCC(=O)N2CCOCC2)cc1 9260157 VUDMMHFGDHPFSK-UHFFFAOYSA-N 265.265 0.622 0 50 CCAA NC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1COc2ccccc2O1 230191859 VIDWPSPAWLBEGB-BREBYQMCSA-N 290.319 0.597 0 50 CCAA Cn1c(CN2CCO[C@H]3CCCC[C@H]32)cc(=O)n(C)c1=O 230198343 YKSNCYFDAXAVQS-OLZOCXBDSA-N 293.367 0.227 0 50 CCAA Cn1cc(N2CC[C@@H](N3CCC[C@@H](CCN)C3)C2=O)cn1 443061904 SMDWVQDNYQELRG-GXTWGEPZSA-N 291.399 0.586 0 50 CCAA O=S1(=O)CCC[C@@H](NCC2(O)Cc3ccccc3C2)C1 362252014 ANRBCUJFNIYIJC-CQSZACIVSA-N 295.404 0.683 0 50 CCAA CC(=O)Nc1c[nH]cc(I)c1=O 38534052 UHDSDRITTDVSIN-UHFFFAOYSA-N 278.049 0.938 0 50 CCAA in-vitro Cn1cc2ncn(CCCOc3cccnc3)c(=O)c2n1 72163380 WGRNCUNGQSCHQE-UHFFFAOYSA-N 285.307 0.994 0 50 CCAA CNC(=O)Cc1ccc(NC(=O)CCC(=O)O)cc1 30834788 QZCILRTXMGEWSQ-UHFFFAOYSA-N 264.281 0.778 0 50 CCAA CCn1cccc(CNC(=O)/C=C/CN(C)C)c1=O 493091372 GXHTTZBTWYFZBH-SOFGYWHQSA-N 263.341 0.602 0 50 CCAA Cc1c[nH]c(CN2CCC[C@](O)(CO)C2)c(C)c1=O 72173867 RDISMEASPDQXPG-CQSZACIVSA-N 266.341 0.311 0 50 CCAA CCc1nc(N)nc(N)c1I 34429470 USTNJKBQOYRJSF-UHFFFAOYSA-N 264.070 0.808 0 50 CCAA O=C(NCC[C@@]1(O)CCCOC1)c1cccnn1 529514167 POAYBDHMPLMHJL-LBPRGKRZSA-N 251.286 0.138 0 50 CCAA CC(C)CN=c1cc([C@H]2CCOC2)[nH]c(=NCCO)[nH]1 426737509 MWKWJSBDOANREY-NSHDSACASA-N 280.372 0.296 0 50 CCAA CC(C)CCn1cc(C(=O)N2CC[C@H](C(=O)O)C2)nn1 178268520 DBSQFARZEHGBPQ-JTQLQIEISA-N 280.328 0.871 0 50 CCAA C[C@H](Sc1ccccn1)C(=O)NCCc1n[nH]c(=O)[nH]1 222281398 IAQMDNZRMRIMBX-QMMMGPOBSA-N 293.352 0.333 0 50 CCAA CN(Cc1cc(-c2ccccc2)[nH]n1)C[C@@H](O)CO 97694846 GWRJOASBHOSVRO-CYBMUJFWSA-N 261.325 0.862 0 50 CCAA CNC(=O)CCN1C[C@H](c2ccc(OC)cc2)[C@@H](N)C1 91435061 RMXOMCKHBVZTGI-KGLIPLIRSA-N 277.368 0.558 0 50 CCAA COc1ccccc1OCC(=O)/N=c1\[nH]ccn1C 96562914 IIMKABVXGQQAFL-UHFFFAOYSA-N 261.281 0.868 0 50 CCAA CCn1cc(CNC(=O)[C@H](C)Cn2cncn2)c(C)n1 244764164 PCKZJGYLXNPOJY-SNVBAGLBSA-N 276.344 0.755 0 50 CCAA CC1(C)NC(=O)N(CC(=O)NCC[C@@H]2CCCOC2)C1=O 529596979 JPKYBCXKZDVCSZ-JTQLQIEISA-N 297.355 0.250 0 50 CCAA CSCc1noc(CN2CCS(=O)(=O)CC2)n1 244715940 LFFSFAUYISXGAM-UHFFFAOYSA-N 277.371 0.163 0 50 CCAA C[C@@H](c1cnn(C)c1)N(C)C(=O)[C@@H]1COCCO1 182621852 BNKQFNUHJBAJEG-ONGXEEELSA-N 253.302 0.355 0 50 CCAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1C=CCN1 534584947 UUJYYWRIBQETEN-CQSZACIVSA-N 285.347 0.958 0 50 CCAA CN(CC(=O)NCc1ccc2c(c1)OCCCO2)C(N)=O 263670808 WVCXGPRXVBWKCU-UHFFFAOYSA-N 293.323 0.475 0 50 CCAA CC(C)c1cc(CN(C)C(=O)Cn2ncnn2)no1 299789921 AEAFOLXPUIWLBY-UHFFFAOYSA-N 264.289 0.443 0 50 CCAA O=C(CS(=O)(=O)NC[C@H]1CCCO1)c1ccccc1 725375701 MRRWKDQWSLLFGK-GFCCVEGCSA-N 283.349 0.968 0 50 CCAA CCNC(=O)N1CCC(NC(=O)c2[nH]nnc2C)CC1 584891854 RWWPWKYISJSWHN-UHFFFAOYSA-N 280.332 0.037 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@@H]1CCO[C@H]1c1cccnc1 1875278227 KDJFRBZNQWSQNI-UPJWGTAASA-N 278.308 0.996 0 50 CCAA O=C(C[C@H](C(F)F)n1ccnc1)N1CCOCCN1 1875274331 OEAMENNJCANJBE-SECBINFHSA-N 274.271 0.443 0 50 CCAA O=C(Nc1n[nH]c(CO)n1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 1875296908 USOWUUZDTKZGEI-DSYKOEDSSA-N 272.255 0.917 0 50 CCAA CC(C)[C@H]1C(=O)N(C)CCN1S(=O)(=O)N1CCCC1 952992038 YJGVLQRTPVZWSV-NSHDSACASA-N 289.401 0.126 0 50 CCAA Cn1cnc(C(=O)NC2(CC(N)=O)CCCCC2)c1 891319457 QETGTCFQUDACFQ-UHFFFAOYSA-N 264.329 0.728 0 50 CCAA Cn1ccc(CNC(=O)c2nc(Br)nn2C)c1 1775990985 ITRHMOXAEBATPN-UHFFFAOYSA-N 298.144 0.846 0 50 CCAA CC(=O)N1C[C@@H]2CN(Cc3cc(C)no3)C[C@]2(C(=O)O)C1 1565511619 PCPLQNVTOLCNJQ-FZMZJTMJSA-N 293.323 0.348 0 50 CCAA CN(C)c1noc(CNS(=O)(=O)c2ccccc2)n1 170599236 QYPZFYHXCJFVBF-UHFFFAOYSA-N 282.325 0.614 0 50 CCAA C[C@@H]1OCC[C@]12CN(C(=O)Cc1cncn1C)C[C@@H](C)O2 547748675 YPQMSXBKAUMRSM-XUJVJEKNSA-N 293.367 0.758 0 50 CCAA C[C@@H](c1cccnc1)N1CCO[C@@H](CN(C)CC(N)=O)C1 282227102 ZCHOLHADVMTFGG-JSGCOSHPSA-N 292.383 0.261 0 50 CCAA COC(=O)C1(N)CCN(C(=O)OC(C)(C)C)CC1 91682323 MMPCQLBEECGPAP-UHFFFAOYSA-N 258.318 0.888 0 50 CCAA in-vitro O=C(c1cnns1)N1CCC[C@H](c2nnc(O)o2)C1 408068010 QRWLGBLQRKBRLL-LURJTMIESA-N 281.297 0.647 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ncc[nH]2)C1 643755521 WMPXPWIAXBQIJJ-ZDUSSCGKSA-N 266.345 0.215 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCN2CCOCC2)C1 643857897 JWQYFFMPKRPUCM-OLZOCXBDSA-N 280.372 0.504 0 50 CCAA Cc1cc(NCCNS(=O)(=O)CCCF)n(C)n1 225548363 LLWWDTOKKJDDRQ-UHFFFAOYSA-N 278.353 0.419 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1C[C@H]2CCOC[C@@H]2C1 585004439 DUIFKZVYJWECOI-YPMHNXCESA-N 287.124 0.013 0 50 CCAA NC(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1 768918933 PUSBHLROOXMPCE-UHFFFAOYSA-N 283.291 0.939 0 50 CCAA C[C@H]1CN(c2ncncc2Cl)C[C@@H]1CS(N)(=O)=O 1857530641 MHXGJXNMMLIBSZ-JGVFFNPUSA-N 290.776 0.491 0 50 CCAA CN(CCc1ccccn1)c1nc(C(=O)O)nn1C 1857666432 ALDMXTSLAXXLIK-UHFFFAOYSA-N 261.285 0.587 0 50 CCAA N=c1[nH]nc(N2CCC3(CCC(=O)NC3)CC2)s1 1857679724 RNEFVDBACGGLKY-UHFFFAOYSA-N 267.358 0.447 0 50 CCAA CCc1cc(-c2nccn2Cc2nc(O)n[nH]2)on1 1857695969 GOALHVYOXPDYQS-UHFFFAOYSA-N 260.257 0.973 0 50 CCAA C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[C@H]2C1 245344008 WXTVZVKQSYHHBV-GUBZILKMSA-N 260.359 0.183 0 50 CCAA COCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704279983 CGDRLOCIKBZGTA-VXGBXAGGSA-N 250.298 0.402 0 50 CCAA CCc1nsc(N2CCN(C[C@@H]3CCOC3=O)CC2)n1 1615002011 VAHWQURSCPTYJJ-JTQLQIEISA-N 296.396 0.786 0 50 CCAA C=CS(=O)(=O)CCN1CC(=O)NC[C@H]1c1ccccc1 1615552750 YJIKHPQSBUWIGM-ZDUSSCGKSA-N 294.376 0.718 0 50 CCAA C[C@@H](c1nnc2n1CCSCC2)N1CCOCC1 1775980585 DHFOWUXSTRFDSF-JTQLQIEISA-N 268.386 0.961 0 50 CCAA C[C@H](N)CCNS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 225447827 OENODABRCVVISC-DCAQKATOSA-N 263.407 0.536 0 50 CCAA O=C1CC[C@@H](NC(=O)c2cn3cccnc3n2)[C@H](C2CC2)N1 551523031 HXNXSIVLGNUMGF-MFKMUULPSA-N 299.334 0.516 0 50 CCAA O=C(O)CCNC(=O)[C@@H]1COc2ccccc2O1 19272707 DPPKCPYLLOEXCY-JTQLQIEISA-N 251.238 0.417 0 50 CCAA C[C@H]1CCO[C@@H]1C(=O)N[C@H]1CCO[C@@H]1c1nccn1C 583615005 CDQSYWQYSLYTOG-BJDJZHNGSA-N 279.340 0.791 0 50 CCAA CCn1ncn(NC(=O)c2cccc(-n3cccn3)c2)c1=O 816739123 XCZZCRQEGPMUKL-UHFFFAOYSA-N 298.306 0.634 0 50 CCAA CS(=O)(=O)CC1(CN2CCO[C@@H]3COCC[C@@H]32)CC1 933968010 YMBSJQXCQGFWHA-NWDGAFQWSA-N 289.397 0.301 0 50 CCAA CC1(C)CCC[C@@H]1C(=O)N[C@H]1CCC(=O)NC1=O 229009240 VPJGBUGEPOEHFV-BDAKNGLRSA-N 252.314 0.734 0 50 CCAA Nc1ccncc1C(=O)N1CCN2CCCC[C@@H]2C1 128137709 OBYXXSMEGCOIMM-LLVKDONJSA-N 260.341 0.974 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1CCN1CCCC1=O 643879461 SQMOPSBQAUBODD-CYBMUJFWSA-N 270.329 0.174 0 50 CCAA CCn1cc(CNC(=O)[C@]23CCC[C@H]2NCC3)nn1 711328192 DAOLWERERGSBEB-YPMHNXCESA-N 263.345 0.446 0 50 CCAA O=C(N1CCN(C2CCNCC2)CC1)N1C[C@H]2CC[C@H]1C2 2325788777 CKISYUVQXIAZAG-ZFWWWQNUSA-N 292.427 0.960 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)C(=O)C1CCCCC1 2325811228 DYKROIUFFLGFSP-ONGXEEELSA-N 266.341 0.919 0 50 CCAA COCCc1nsc(N2CCc3c(CO)n[nH]c3C2)n1 2325814045 LAXLLHPDKIKUSL-UHFFFAOYSA-N 295.368 0.505 0 50 CCAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(N)=O)cc1 611141 DDXLVPKBQMYTPT-JTQLQIEISA-N 282.321 0.160 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)C[C@@H]1CCCO1 246952035 DDOISEDHFICPNI-AGIUHOORSA-N 288.413 0.664 0 50 CCAA Cc1ccc(S(=O)(=O)NCCn2cncn2)c(C)c1 8844799 RHWPIJNIKWYCIV-UHFFFAOYSA-N 280.353 0.873 0 50 CCAA CCCc1ncncc1C(=O)N1CCN(C)[C@@H](C(=O)O)C1 67559133 HOXYWQIPCDCSET-GFCCVEGCSA-N 292.339 0.270 0 50 CCAA CC(C)Oc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2)cc1 151017777 RFAFSWUTKCABFA-JSGCOSHPSA-N 278.352 0.813 0 50 CCAA CNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 71385246 QAVRMZZWSQUNDR-VIFPVBQESA-N 286.353 0.596 0 50 CCAA Cc1nc2ccc(N3CCC[C@@H](C(=O)O)C3)nn2n1 262199379 ZVLRCDCCGWKIMK-SECBINFHSA-N 261.285 0.734 0 50 CCAA CC(C)CS(=O)(=O)CC(=O)N1CC[C@@](C)(C(=O)O)C1 262197572 IVVCTTMMZGJEON-GFCCVEGCSA-N 291.369 0.380 0 50 CCAA CCC[C@H]1CN(c2nccc(N)n2)C[C@@H]1NC(C)=O 219693157 GMNMRQXQMFKTSG-QWRGUYRKSA-N 263.345 0.800 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1ncc(F)cc1F 219561646 FKTCUFXSIPZTDJ-NXEZZACHSA-N 272.251 0.894 0 50 CCAA C[C@@H]1CN(C)C[C@H](c2nc(Cc3cncn3C)no2)O1 527544533 GPYJIQOJPFJLPZ-MWLCHTKSSA-N 277.328 0.786 0 50 CCAA OC[C@@H]1CC[C@H]2CN(c3ncc(F)cn3)CCN2C1 44124328 XRKCPDJKDFJNRF-PWSUYJOCSA-N 266.320 0.509 0 50 CCAA CC(=O)N[C@H](C(=O)NCCn1cc(Cl)cn1)C(C)C 223338317 PDAKLQXTMIEUIF-NSHDSACASA-N 286.763 0.813 0 50 CCAA COc1ncnc(OC)c1C(=O)N[C@@H]1CCC[C@@H]1CN 178148755 ITEJOTWYUSDJRH-RKDXNWHRSA-N 280.328 0.351 0 50 CCAA CC(=O)N1CC(C(=O)N2CC[C@@H](n3cc(C)cn3)C2)C1 290973687 ORTFFVDDRCOMNJ-CYBMUJFWSA-N 276.340 0.443 0 50 CCAA CC(C)Cc1cc(CNC(=O)CN(C)C(N)=O)on1 426711496 RZFNHRSIIPJVSM-UHFFFAOYSA-N 268.317 0.500 0 50 CCAA CCN(CCN(C)C)c1cc([C@@H]2CCOC2)nc(N)n1 426438692 MRMVUQRRLUUDFH-LLVKDONJSA-N 279.388 0.951 0 50 CCAA CCC[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@H]1C(=O)O 91574696 VQQUXCSNKPXWSM-RKDXNWHRSA-N 279.296 0.755 0 50 CCAA CO[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1c1cnn[nH]1 622167142 LXLDRBYCCSPGET-CMPLNLGQSA-N 275.312 0.398 0 50 CCAA O=C(O)[C@H]1CCN1C(=O)c1cn2ccsc2n1 95528857 ZTNUDXBOUBUEHK-SSDOTTSWSA-N 251.267 0.695 0 50 CCAA CC(C)N1CCCN(CCn2cc[nH]c2=O)CC1 244858503 VMJUHWVCQXSEGQ-UHFFFAOYSA-N 252.362 0.593 0 50 CCAA CSCC[C@H](N)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 299748000 FSWOVPFNAKOOHD-ZRUFSTJUSA-N 285.413 0.192 0 50 CCAA CO[C@H]1COC[C@@H]1N=c1nc(-c2ccccc2)[nH]o1 534576196 SQQUWHFSVKXJPZ-QWRGUYRKSA-N 261.281 0.984 0 50 CCAA O=C(c1ccc2nnnn2c1)N1CCC(c2cc[nH]n2)CC1 532081341 YBNGUEOPCAJRCQ-UHFFFAOYSA-N 297.322 0.867 0 50 CCAA COCCCN1CC[C@H](CNC(=O)c2cncnc2C)C1 299759783 PFGOHNOFOHUVIU-CYBMUJFWSA-N 292.383 0.873 0 50 CCAA Nc1nc(CCCNC(=O)[C@@H](N)Cc2cnc[nH]2)cs1 827530304 LNUDWEXJHBHTRK-JTQLQIEISA-N 294.384 0.067 0 50 CCAA CN(C[C@@H]1CCCN1C)C(=O)CCCN1CCOCC1 823771482 SHGRXUPLZXEIDO-AWEZNQCLSA-N 283.416 0.651 0 50 CCAA Cc1nn(C)c(C)c1[C@@H]1CC(=O)Nc2nc(N)nc(O)c21 670416090 JDMRHXIAUOVRJO-ZETCQYMHSA-N 288.311 0.589 0 50 CCAA C[C@H](C(=O)Nc1cc(C(F)(F)F)n(C)n1)S(C)(=O)=O 1548453336 ILRMHAUYFDVBNT-RXMQYKEDSA-N 299.274 0.811 0 50 CCAA CO[C@H]1CCCCN(CC(=O)Nc2cnccn2)C1=O 1552097877 AYDYELXNLQFTEN-JTQLQIEISA-N 278.312 0.443 0 50 CCAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@@H]2CO3)CS1 1875300490 FRSSKXLFWVDUAL-KJPMQGKISA-N 285.365 0.876 0 50 CCAA COCc1nc([C@H]2COCCN2C(=O)C2CC2)no1 1875258215 ZCXAEVRVAIENAO-SECBINFHSA-N 267.285 0.526 0 50 CCAA O=C(c1cnc2[nH]ncc2c1)N1CC2(CC(O)C2)C1 1875278662 SGWKMJUEMMISES-UHFFFAOYSA-N 258.281 0.555 0 50 CCAA O=C1NCCN1CCNC(=O)N1CCC[C@H]1C1CCC1 1875270185 IRPAVHGYJIXLDA-LBPRGKRZSA-N 280.372 0.986 0 50 CCAA O=C1CC(C(=O)N2CC(c3ncc(C4CC4)cn3)C2)=NN1 1875270984 RUWRRWBNUJSDQQ-UHFFFAOYSA-N 285.307 0.156 0 50 CCAA O=C(NCC(=O)N1CC=CC1)[C@H]1CCC[C@@H](C(=O)O)C1 1875292772 SBDKWNQKPBMMKD-WDEREUQCSA-N 280.324 0.392 0 50 CCAA Cc1nn(C)cc1Cn1ccnc1S(C)(=O)=O 1559377139 DSDMKMKRISOARZ-UHFFFAOYSA-N 254.315 0.377 0 50 CCAA C=CC(=O)N[C@H]1COCCN(C(=O)OC(C)(C)C)C1 1875367987 GPYKRLPKGKXVMU-SNVBAGLBSA-N 270.329 0.925 0 50 CCAA COc1ccc(-c2nnn(CC3OCCO3)n2)cc1F 1875304306 GVAKILFUBXGQAN-UHFFFAOYSA-N 280.259 0.861 0 50 CCAA CC(C)(C)[C@@H](N)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958527987 KELLKCVJNKFMQS-SMRSKGNSSA-N 261.387 0.831 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@H](n2[nH]nnc2=N)C1 1772716160 UFTPCMAHYBQORY-QMMMGPOBSA-N 268.321 0.658 0 50 CCAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CNC(N)=O 798321036 KHAREONSKFKWRH-SECBINFHSA-N 267.333 0.082 0 50 CCAA CCn1ncnc1CN1C[C@H](C(=O)O)C2(CCOCC2)C1 1777019455 BVJAVIFFMPPWBH-LLVKDONJSA-N 294.355 0.611 0 50 CCAA CC(C)C[C@H](CN)C(=O)N[C@H](C)CCn1cncn1 170677860 HTEUNANKGWSPFT-VXGBXAGGSA-N 267.377 0.794 0 50 CCAA C[C@@H](O)[C@@H]1CCCN(C(=O)NCc2nc(N(C)C)n[nH]2)C1 637787331 VBBWDUWQEYTTBB-NXEZZACHSA-N 296.375 0.173 0 50 CCAA O=C([C@H]1C[C@H](F)CN1)N1CCC(Cn2cccn2)CC1 188763112 WVIUPYBXKAKVEF-QWHCGFSZSA-N 280.347 0.822 0 50 CCAA O=C1CC[C@H](N=c2[nH]nc(C3CC3)o2)[C@@H]([C@@H]2CCCO2)N1 583057453 XFCSKSJVYHJKLV-NHCYSSNCSA-N 292.339 0.607 0 50 CCAA C[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 221858501 ZFXJPDSIJLPECP-KPXOXKRLSA-N 280.299 0.893 0 50 CCAA O=C(Cn1c(O)nc2ccccc21)N1CC(CO)C1 680352013 IEXCBVHQRPTGTG-UHFFFAOYSA-N 261.281 0.193 0 50 CCAA CCOc1nc(N2CCO[C@@H]3CNC[C@@H]32)ncc1Cl 649474106 RCROVEGPNXLDQB-VHSXEESVSA-N 284.747 0.706 0 50 CCAA C=CC(=O)N(CC)CC(=O)NCc1ocnc1C 908336700 WZWIVNKOGAWYFE-UHFFFAOYSA-N 251.286 0.634 0 50 CCAA CCn1ncc(C)c1NC(=O)CN(C)CCOC 1506408498 YNUKMVDKEIQKLC-UHFFFAOYSA-N 254.334 0.728 0 50 CCAA O=C(CCn1cncn1)N1CC[C@@H](CN2CCCC2)C1 127295904 UHEAVFASOBPMNT-ZDUSSCGKSA-N 277.372 0.613 0 50 CCAA CN(C)C[C@]1(O)CCCN(c2ncnc3scnc23)C1 1614994386 FCYCYTCJCXSLNR-CYBMUJFWSA-N 293.396 0.979 0 50 CCAA O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cn[nH]c1 264830592 HYDBQTRQGJNOJE-SSDOTTSWSA-N 276.218 0.303 0 50 CCAA CC(C)(C)OC(=O)N1CC([C@@H]2CC(=O)NC2=O)C1 1772800743 NUGHSRMRTWIMMN-QMMMGPOBSA-N 254.286 0.516 0 50 CCAA CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CC2(C)C)CC1 151842508 ZVUOHQQUOIGNLM-GFCCVEGCSA-N 281.400 0.701 0 50 CCAA Cc1ncc(C)c(N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)n1 1857682320 VKWLGGDEEFJJII-IUODEOHRSA-N 290.367 0.561 0 50 CCAA Cc1cc(=O)cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)[nH]1 1857726171 HWBVRDLJBLSZNL-TUAOUCFPSA-N 291.351 0.275 0 50 CCAA O=C(NCc1nnnn1C1CC1)N1CCO[C@H](C2CC2)C1 681607255 PZVNDIGHWICBOV-NSHDSACASA-N 292.343 0.328 0 50 CCAA CC[C@H]1CN(C)CCN1C(=O)COc1c(C)nn(C)c1C 561614700 IDZMKPKLWDKNNE-ZDUSSCGKSA-N 294.399 0.968 0 50 CCAA CC(C)NS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 907224742 LYAVYGHDNUSIQH-LMLFDSFASA-N 258.343 0.114 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2C[C@H](NC(=O)C3(O)CCCC3)[C@@H]2C1 907948751 OMXDGJCUTHTXGR-DBIOUOCHSA-N 267.325 0.907 0 50 CCAA Cc1nc(N2CCN(C[C@H]3CCc4ncnn43)CC2)n[nH]1 931628413 BPCXHGSUJOMVGV-LLVKDONJSA-N 288.359 0.014 0 50 CCAA COC(=O)[C@@H](C)CN1CCO[C@H](c2nc(C)n[nH]2)C1 225409441 RRELXGGZBYJMJK-WPRPVWTQSA-N 268.317 0.296 0 50 CCAA O=C(NCCN1CCCc2ccccc21)c1cnn[nH]1 48938287 XQUHOACQDPCOBC-UHFFFAOYSA-N 271.324 0.987 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(F)cc1F 629217466 CUEZYMKKCMADNI-QWRGUYRKSA-N 257.236 0.844 0 50 CCAA O=C(O)C1(C(=O)N2CCC[C@H](n3cccn3)C2)CC1 370342879 LYTQHWFEAORSBD-JTQLQIEISA-N 263.297 0.911 0 50 CCAA C[C@@H](O)[C@@H](CO)NC(=O)c1ccc2c(c1)ncn2C 822532407 HBSYADFOYKYHDQ-LDYMZIIASA-N 263.297 0.045 0 50 CCAA CCCn1c(SCC(C)=O)nc2c1c(=O)[nH]c(=O)n2C 310616 HMLZEXXZLVEQGR-UHFFFAOYSA-N 296.352 0.514 0 50 CCAA CN(C)c1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1 4058319 ANMRNOVAOGDAQN-LBPRGKRZSA-N 276.340 0.169 0 50 CCAA CC(C)(C)S[C@H]1CS(=O)(=O)[C@@H]1S(C)(=O)=O 22204634 LTXPYUSZJNDHGF-BQBZGAKWSA-N 272.413 0.686 0 50 CCAA COc1ccc(CC(=O)NCCN(C)C)cc1OC 10111506 STOMROXUDOLZSG-UHFFFAOYSA-N 266.341 0.924 0 50 CCAA CN(CCC1CCOCC1)S(=O)(=O)c1cnn(C)c1 127163763 QIPQABBWLFWSFX-UHFFFAOYSA-N 287.385 0.857 0 50 CCAA CN(C)[C@]1(CNCC(=O)Nc2cnccn2)CCSC1 65386364 NGSDSGKRQSWVDC-ZDUSSCGKSA-N 295.412 0.442 0 50 CCAA COCCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1 65362190 MJZUHLHCTBFTKJ-UHFFFAOYSA-N 286.353 0.459 0 50 CCAA C[C@H]1C[C@@H](S(=O)(=O)N2CCOC(C)(C)C2)CCO1 253429511 NJHMKIHUUHZNMV-QWRGUYRKSA-N 277.386 0.995 0 50 CCAA COc1ccc(NC(=O)[C@@H]2C[C@H](OC)CN2C)cn1 330545410 UTDQPENFOXHDPT-QWRGUYRKSA-N 265.313 0.748 0 50 CCAA CC[C@H](C(=O)O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 236876017 APZAZQJXQOQSOY-ZYHUDNBSSA-N 283.372 0.134 0 50 CCAA Cc1nccc(CN2CCC[C@@H](N=c3cncc[nH]3)C2=O)n1 363999836 MYAPQEMRQJFRMN-CYBMUJFWSA-N 298.350 0.600 0 50 CCAA CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@@H](C2CC2)C1 334364231 MOXSHPPZCWKUGG-CHWSQXEVSA-N 266.341 0.492 0 50 CCAA O=C(c1cn[nH]n1)N1CCC(Oc2ncccn2)CC1 72169615 BTHGOQNQBFEKRZ-UHFFFAOYSA-N 274.284 0.278 0 50 CCAA COc1cnc(CN2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1O 72132172 JELOYPJKGJNPIU-QZHINBJYSA-N 294.351 0.359 0 50 CCAA O=C(Nc1nc[nH]n1)c1cc(-c2ccccn2)n[nH]1 218531364 MHGQWFXLUPQYKQ-UHFFFAOYSA-N 255.241 0.842 0 50 CCAA CCOC1CC(C(=O)N2CC[C@H](n3cncn3)C2)C1 376248740 FOIHHQBOKUZFFQ-CXQJBGSLSA-N 264.329 0.867 0 50 CCAA Cc1cc(C[C@H](C)Nc2nc(N)nc3c2CCNC3)n[nH]1 71315470 KVEBGYSTZALLMN-QMMMGPOBSA-N 287.371 0.779 0 50 CCAA Cc1nc(S)sc1CC(=O)NCc1nccc(N)n1 131572161 CBHJCYZJYZYFHU-UHFFFAOYSA-N 295.393 0.971 0 50 CCAA CCn1cc(CCN2CCO[C@H](C)[C@H]2C(N)=O)cn1 285958721 DETZEMAQIQKGIH-PWSUYJOCSA-N 266.345 0.020 0 50 CCAA O=C1C[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)CCN1 177710673 LSBPDHVYDIFLJA-NSHDSACASA-N 290.319 0.600 0 50 CCAA O=C(c1nc[nH]n1)N1CC[C@](C(=O)O)(c2ccccc2)C1 426551053 HMGBXXDAHFRKBJ-CQSZACIVSA-N 286.291 0.673 0 50 CCAA Cc1ccn2c(C(=O)NCC[C@H]3CCCN3C)nnc2n1 426428848 GBYFIWURQZIRKQ-LLVKDONJSA-N 288.355 0.647 0 50 CCAA O=C(C[C@@H]1CCOC1)N1CCCN(c2ncccn2)CC1 426533990 FRJKQDJDKGIIQA-ZDUSSCGKSA-N 290.367 0.942 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)NCc1ccc(C)cc1 426734246 HABMOWYQRXOOSQ-STQMWFEESA-N 263.341 0.781 0 50 CCAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cccc(=O)[nH]1 220016648 AJAIHYBVOVZKKW-STQMWFEESA-N 291.351 0.358 0 50 CCAA Nc1nc([C@@H]2CCOC2)cc(N2CCSCC2)n1 426421005 AYXLOKUFPAQPPO-SECBINFHSA-N 266.370 1.116 0 50 CCAA Cc1ncsc1CCC(=O)NCc1nc(C(N)=O)co1 617487416 ZUZIZYCEAGUPGA-UHFFFAOYSA-N 294.336 0.787 0 50 CCAA COCCn1cnnc1CN(C)c1nc(N)ncc1C 91551040 QDGSWBIIZHLHPH-UHFFFAOYSA-N 277.332 0.242 0 50 CCAA CN(C)S(=O)(=O)N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1 244811529 SGFGIEABKKEQJD-XQQFMLRXSA-N 284.381 0.895 0 50 CCAA CCNc1nc(C(=O)N2CC(=O)N[C@H](C)C2)cs1 296436993 YOAWXFZWQJUDPF-SSDOTTSWSA-N 268.342 0.535 0 50 CCAA CN(Cc1cnc(N(C)CC(=O)O)nc1)C[C@@H]1CCOC1 534649867 IBSOAPCXANVUTQ-NSHDSACASA-N 294.355 0.466 0 50 CCAA CCN(Cc1noc(C)n1)C[C@@H]1CC(=O)N(CCOC)C1 299788775 VJNYNIBUXOWKED-LBPRGKRZSA-N 296.371 0.695 0 50 CCAA COC(=O)c1cc(CN)cc(NC(=O)c2cnccn2)c1 299785533 UIXNOFNCAZWRSZ-UHFFFAOYSA-N 286.291 0.974 0 50 CCAA O=C(NC1CCN(C(=O)C2CC2)CC1)c1cnc[nH]1 299781821 LTEBCEHLVHANNL-UHFFFAOYSA-N 262.313 0.541 0 50 CCAA CN1C(=O)C[C@H](c2n[nH]c(CC(N)=O)n2)c2ccccc21 826842582 ZOVCUBXFURYMQK-VIFPVBQESA-N 285.307 0.331 0 50 CCAA CN(Cc1cnc2ccccn12)C(=O)CCS(C)(=O)=O 827884190 SJAYQUWQHLBPTI-UHFFFAOYSA-N 295.364 0.727 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1ccc(NC(C)=O)cc1O 670450288 DYCVURDDZPQZLY-AAEUAGOBSA-N 294.307 0.494 0 50 CCAA Cc1ncc(CN(C)CC2CCN(CCO)CC2)cn1 670459783 RFDFPEDRHXWGKP-UHFFFAOYSA-N 278.400 0.921 0 50 CCAA N[C@@H]1CCNC[C@@H]1[C@@H]1CC[C@@H](C(F)(F)F)NC1 757213078 NTUKAYAABLRJOS-KYXWUPHJSA-N 251.296 0.854 0 50 CCAA N=c1nc2c(c[nH]1)CCN(C(=O)[C@@H]1CC3(CCC3)CO1)C2 1875301272 ILJSXEWQERWQDN-LBPRGKRZSA-N 288.351 0.733 0 50 CCAA Cn1ncc2c1CCN[C@@H]2C(=O)NCc1nccs1 1875392703 PCCQXAXLDDCWKH-NSHDSACASA-N 277.353 0.380 0 50 CCAA CCCCO[C@@H](C)C(=O)N=c1nc[nH]n1-c1ncccn1 1875302907 MOLZQKPNYQTRSQ-JTQLQIEISA-N 290.327 0.623 0 50 CCAA CSc1ncc(CN[C@@H](C)CN2CCN(C)CC2)n1C 952970143 HJEZQGTVKRKPIE-LBPRGKRZSA-N 297.472 0.868 0 50 CCAA C[C@H](NC(=O)N1CCCS(=O)(=O)CC1)c1ccccn1 1776002214 NPQVCQRWPSMCJX-NSHDSACASA-N 297.380 0.973 0 50 CCAA CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 247028474 ZRYIPEXYTGLSOY-GRYCIOLGSA-N 265.357 0.065 0 50 CCAA CCOC1CC2(CCN(C(=O)CNC(=O)NC)C2)C1 672260851 FPZWWNORPGQDHN-UHFFFAOYSA-N 269.345 0.333 0 50 CCAA C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1CSCCS1 170625906 ANSSWIDGNQPJAN-DTWKUNHWSA-N 297.467 0.727 0 50 CCAA CN(C)S(=O)(=O)n1nccc1Br 90550519 CZFPJJNNYJIWOL-UHFFFAOYSA-N 254.109 0.300 0 50 CCAA in-vitro NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@]1(F)CCNC1 408519323 ZBZCJEJQJPZFSU-IUODEOHRSA-N 291.326 0.127 0 50 CCAA CO[C@@H]1CN(S(=O)(=O)CCN2CCCC2)CC[C@@H]1C 225425477 LUDVPGKCSVBMFU-QWHCGFSZSA-N 290.429 0.769 0 50 CCAA NC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(C(=O)O)cc2)O1 647214471 ZVVZBPVPZOQIKI-WDEREUQCSA-N 292.291 0.034 0 50 CCAA Cn1cnc(C(=O)NC2(CC(=O)O)CCOCC2)c1 663122596 KGCBOBZARAKBCM-UHFFFAOYSA-N 267.285 0.174 0 50 CCAA C[C@@H]1CCOCCN1C(=O)c1cc2n(n1)CCCO2 762230968 NCROSBZUTJRQEL-SNVBAGLBSA-N 265.313 0.917 0 50 CCAA C[C@@]12C[C@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1800411379 IPRVKUZQRJAQRZ-SDBXPKJASA-N 260.297 0.109 0 50 CCAA C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H](CC2CC2)C1 645119757 VXHVOHKCZANGQK-ZYHUDNBSSA-N 288.413 0.915 0 50 CCAA C[C@H](C(=O)N1CCc2ccccc2C1)n1cnnn1 1614476558 HXFLKGILBGACQY-SNVBAGLBSA-N 257.297 0.819 0 50 CCAA COCCN(C(=O)NCc1ncccn1)[C@@H]1CCOC1 1615556537 PUSYJMCXTINZCS-LLVKDONJSA-N 280.328 0.424 0 50 CCAA CC(=O)NCCN(C)C(=O)C[C@H](NC1CC1)C(F)(F)F 1615552257 UHIKBJMXDCUILN-JTQLQIEISA-N 295.305 0.654 0 50 CCAA CN(CC(=O)N1CC(C)(C)CC[C@@H]1CO)C(=O)C1CC1 1615550141 VYSVZAQKPJLTKB-GFCCVEGCSA-N 282.384 0.864 0 50 CCAA CCc1cc(CC(=O)N2C[C@H]3CCC[C@@]3(N)C2)n(C)n1 1615545039 FKWBUHCJTIUING-IAQYHMDHSA-N 276.384 0.865 0 50 CCAA O=S1(=O)C[C@@H](N2CCOCC2)c2ccccc21 19300213 GGAKYZFQZFWTLL-LLVKDONJSA-N 253.323 0.847 0 50 CCAA OCCOc1ccccc1CN1C[C@@H]2[C@@H](C1)C2(CO)CO 1772812625 MORUHBNQEGSMLG-ZIAGYGMSSA-N 293.363 0.090 0 50 CCAA CCn1nc(C)c(CNC(=O)[C@@H]2C[C@H]3C[C@@H](N)[C@H]3C2)n1 1857527903 CFBKBZNVTFTRNF-WHOHXGKFSA-N 277.372 0.596 0 50 CCAA CCc1csc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)n1 1857716724 QAGKNIFTDHBASB-JMJZKYOTSA-N 283.397 0.810 0 50 CCAA CN1CCO[C@H](C(=O)N(C)C[C@H]2CCn3ccnc3C2)C1 328636949 VUPLKAOHZAMJAV-STQMWFEESA-N 292.383 0.235 0 50 CCAA CC(C)c1ccc(CCCNC(=O)CNC(=O)CN)cc1 124861394 PSIMUXXLQRSIIF-UHFFFAOYSA-N 291.395 0.934 0 50 CCAA NC[C@@H]1CCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1 237974469 SRVOHYUKVHHRGO-LBPRGKRZSA-N 289.314 0.970 0 50 CCAA Cc1coc(C)c1C(=O)N1CC[C@@](O)(Cn2ccnn2)C1 671606818 TZPVRGYMTPQMJP-AWEZNQCLSA-N 290.323 0.765 0 50 CCAA CCN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 20166904 DCGYESKXJMGUGW-AWEZNQCLSA-N 276.336 0.991 0 50 CCAA COCc1noc(CN2C[C@@H](CO)Oc3ccccc32)n1 371526225 QBQZOCBRCGCKTM-JTQLQIEISA-N 291.307 0.976 0 50 CCAA N[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)C1 157935238 ACEWPFZFJLMMFR-LBPRGKRZSA-N 271.324 0.831 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1cc(C2CC2)[nH]n1 263303384 NWAUPNIZWMFASL-SECBINFHSA-N 279.296 0.603 0 50 CCAA N[C@H]1CCN(C(=O)Cc2ccn(CC(F)(F)F)n2)C1 911737926 FLSBGKZAGJRWNP-QMMMGPOBSA-N 276.262 0.548 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC[C@H]1C(=O)NC(C)(C)C 928726117 JRJHJSPRYNVYSG-NSHDSACASA-N 295.383 0.584 0 50 CCAA COC(C)(C)CC(=O)N1CCO[C@@H](CC(=O)O)C1 230927297 LTWABUJAQPYCAL-VIFPVBQESA-N 259.302 0.504 0 50 CCAA O=C([C@H]1C[C@H](O)CN1)N1CCSC2(CCCCC2)C1 262489185 IYQUJOYNNRHZGR-NWDGAFQWSA-N 284.425 0.988 0 50 CCAA NS(=O)(=O)C[C@H]1CCN(C(=O)CCc2cccnc2)C1 299795147 LVENZRBUUPVKNO-LBPRGKRZSA-N 297.380 0.151 0 50 CCAA CN1C[C@H](C(=O)N(C)C[C@H]2CCC[C@@H]2O)CC1=O 407994377 CMONFHSATKUJEZ-MXWKQRLJSA-N 254.330 0.084 0 50 CCAA CN1CCN(C(=O)CN2C[C@H]3CCC[C@@H](C3)C2)CC1 336519814 YDPCPBMRUFDPRN-KBPBESRZSA-N 265.401 0.882 0 50 CCAA O=S1(=O)CC[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 367604087 REUDBEMKKOWVKO-UONOGXRCSA-N 281.377 0.798 0 50 CCAA CC1(C)OC[C@@H]2O[C@@]3(C(=O)O)OC(C)(C)O[C@H]3[C@@H]2O1 1825020 FWCBATIDXGJRMF-FLNNQWSLSA-N 274.269 0.469 0 50 CCAA biogenic,in-man CS(=O)(=O)NCC(=O)Nc1n[nH]cc1-c1ccccc1 2356148066 FVUPIAIYMHHPFL-UHFFFAOYSA-N 294.336 0.564 0 50 CCAA N[C@@H](CSCNC(=O)c1ccccc1)C(=O)O 3121662 AKQYRFCYSNUADD-VIFPVBQESA-N 254.311 0.519 0 50 CCAA C[C@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)S(C)(=O)=O 135844321 YUSWNENFABXWQN-NXEZZACHSA-N 291.369 0.523 0 50 CCAA NC[C@H](NC(=O)[C@H]1C[C@@]12CCNC2)C1CCCC1 333646295 VCTXNSVZCWDBHY-MBNYWOFBSA-N 251.374 0.620 0 50 CCAA CO[C@H](C)CC(=O)N(CC(=N)O)C[C@H]1CN(C)CCO1 328654184 XHMVYFUZLKJCEH-GHMZBOCLSA-N 287.360 0.106 0 50 CCAA CCc1cc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)n[nH]1 328618376 DSEJOTMMDRWRCW-LBPRGKRZSA-N 288.355 0.824 0 50 CCAA O=C1NC[C@H](COc2ccc3c(c2)CCNC3=O)O1 496072297 YOGLUEWBHDHFML-SNVBAGLBSA-N 262.265 0.460 0 50 CCAA CCc1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 77452103 GFOKHUTZSIHRPP-VIFPVBQESA-N 269.370 0.910 0 50 CCAA C[C@]1(C(=O)N[C@@H]2CCc3nnnn3CC2)C[C@@H]1F 333367384 DXRNGOFIGJMNRN-FYBVGQRMSA-N 253.281 0.242 0 50 CCAA CCCC[C@@H](NC(=O)c1ccn(CC)c(=O)c1)C(N)=O 215369935 BFISHGXXKNDPAJ-LLVKDONJSA-N 279.340 0.642 0 50 CCAA COCCc1noc([C@@H](C)NC(=O)c2ccc(N)nc2)n1 219020322 UYCAVZFWICONIB-MRVPVSSYSA-N 291.311 0.727 0 50 CCAA Cc1csc(CCNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 75716806 YSHXCVWTGOPREF-SECBINFHSA-N 288.394 0.545 0 50 CCAA CC1(C)CN(CC(=O)N2CCC[C@H](C(N)=O)C2)CCCO1 377257403 OKYAUDOUAFJGCM-LBPRGKRZSA-N 297.399 0.211 0 50 CCAA CC[C@@H](NC(=O)Cc1cnccn1)c1nc(C)no1 219042712 OWDFULKEPXDBHF-SNVBAGLBSA-N 261.285 0.978 0 50 CCAA Cn1ncnc1CN1CCC(Nc2cccnn2)CC1 177127107 JOHMLJVBARILPE-UHFFFAOYSA-N 273.344 0.682 0 50 CCAA COCCN(C)C(=O)N[C@@H](C)CCn1cccn1 426722719 VYKXKJHRZSUQJK-NSHDSACASA-N 254.334 0.950 0 50 CCAA C[C@H](Cc1ccccc1)[n+]1noc(O)c1C(=O)CN 137989699 XLRBEGKQNKGHOS-SECBINFHSA-O 262.289 0.613 0 50 CCAA CC[C@@H](CO)N1CCN(C(=O)C(C)(C)OC)CC1 179395981 YJYLMGDIQGEVQX-NSHDSACASA-N 258.362 0.327 0 50 CCAA COCCN(C)CC(=O)N1CCC[C@@](CO)(CC2CC2)C1 91644346 REUVDZNTKUBSHQ-MRXNPFEDSA-N 298.427 0.966 0 50 CCAA CC1(C)CN(C(=O)CCn2cnnn2)CC[C@]1(C)O 91934429 MWERODIPSQBSJX-LBPRGKRZSA-N 267.333 0.073 0 50 CCAA COc1ccc(OC)c(CNC(=O)N(C)CCO)c1 348814308 UJOONLMQCUCMQN-UHFFFAOYSA-N 268.313 0.838 0 50 CCAA Cc1cc(CN(C)C(=O)CN2CC[C@@H](N(C)C)C2)ccn1 244647059 GUJZYGWOEVYARR-OAHLLOKOSA-N 290.411 0.984 0 50 CCAA NC(=O)c1ccc(NC(=O)CN2C[C@@H]3CCN[C@@H]3C2)cc1 534588903 UHCXVJGNIWBLMQ-WCQYABFASA-N 288.351 0.018 0 50 CCAA CCN(CC)S(=O)(=O)N[C@@H](C)c1ncnn1C 353830932 YXPBVVNUGBOXBY-QMMMGPOBSA-N 261.351 0.052 0 50 CCAA CC(C)Cc1noc(CNC(=O)C2(C)COC2)n1 534652988 WUHCTWYSXGMGAW-UHFFFAOYSA-N 253.302 0.921 0 50 CCAA C[C@@H](NC(=O)CNC(=O)N(C)C)c1cccnc1 534670897 JXXYAZWGUUJODK-SECBINFHSA-N 250.302 0.530 0 50 CCAA O=C(COC[C@H]1CCCO1)N1CCC(C2(O)CC2)CC1 652664980 YTGKUSYJMHKKMW-CYBMUJFWSA-N 283.368 0.946 0 50 CCAA CN(CCn1cnnc1)C[C@@H]1CCN(C)C1(C)C 823690242 SLYMKLAEOQHLQI-LBPRGKRZSA-N 251.378 0.940 0 50 CCAA Cn1nnc2c(C(=O)N[C@H](CC3CC3)C(=O)O)ccnc21 630160127 UZSFRCULKMDTGX-SECBINFHSA-N 289.295 0.346 0 50 CCAA C[C@]1(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CCCNC1 584884609 YNLVVBLWAKNPCL-JTQLQIEISA-N 291.277 0.829 0 50 CCAA O=C(C[C@H]1CCOC1)N1CCC(N2CCOCC2)CC1 584884919 VPXDQQBJBDZHHB-CYBMUJFWSA-N 282.384 0.736 0 50 CCAA COc1ccc(Cn2ncnc2CCCn2cnnn2)cc1 670467853 QEGGUERNWOFYQU-UHFFFAOYSA-N 299.338 0.954 0 50 CCAA Cc1cnn(C[C@H]2NC(=O)[C@H](Cc3ccco3)NC2=O)c1 1875307908 WAONNULMFMZJMH-NWDGAFQWSA-N 288.307 0.010 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cc2c(nn1)CCOC2 1875333163 FUTVMYDNAKQYNI-NSCUHMNNSA-N 277.280 0.008 0 50 CCAA COCC(=O)NC1CN(C(=O)c2coc(C)c2)C1 275441924 HRPGJQPWAUAWQM-UHFFFAOYSA-N 252.270 0.175 0 50 CCAA C[C@@H]1C(=O)NCCN1S(=O)(=O)CCc1cccs1 170091093 JLJSNEMXTPJYFP-SECBINFHSA-N 288.394 0.441 0 50 CCAA C[C@H]1CN(C(=O)c2cccnc2)CCN1CC(C)(C)O 170602683 WOZVMHCYMFKPLG-LBPRGKRZSA-N 277.368 0.999 0 50 CCAA Cc1nc2n(n1)C[C@@H](NC(=O)NCc1ccoc1)CC2 171052187 LQPLLJWBILIHRG-NSHDSACASA-N 275.312 0.994 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccoc1 1074548607 AELUTUKCMHKTCG-USZNOCQGSA-N 250.298 0.727 0 50 CCAA COC(=O)[C@H]1C[C@H](O)CN1Cc1ncc(C)s1 188601692 KIFWLFTUPVDCIJ-DTWKUNHWSA-N 256.327 0.560 0 50 CCAA CCNC(=O)N1CCN(C(=O)C[C@](C)(O)C2CC2)CC1 407996768 GSIIBHCCTDQZPD-AWEZNQCLSA-N 283.372 0.411 0 50 CCAA CN(C)C(=O)CN1CCCc2cc(S(C)(=O)=O)ccc21 408523469 KJHXPHMJDSYWRD-UHFFFAOYSA-N 296.392 0.931 0 50 CCAA Cc1c[nH]nc1CN1CCC[C@@](O)(CC(=O)N(C)C)C1 643753941 PZNKFKVUBMRLGT-CQSZACIVSA-N 280.372 0.523 0 50 CCAA c1cc([C@@H]2OCCC[C@H]2CN=c2[nH]ccn3cnnc23)n[nH]1 643789813 JEWUMJUZBJBBCS-CMPLNLGQSA-N 299.338 0.849 0 50 CCAA COCCCNS(=O)(=O)c1cccc(C(=O)O)c1 1760468 PZUQIZKISUHHOP-UHFFFAOYSA-N 273.310 0.700 0 50 CCAA in-vitro NS(=O)(=O)N[C@H]1CCN(c2ncccc2Cl)C1 152558594 IIQKNCJZUAOXGS-ZETCQYMHSA-N 276.749 0.107 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCCN([C@@H](C)CO)CC1 373862617 KDBNWGSEOHSOQG-LBPRGKRZSA-N 265.357 0.852 0 50 CCAA COCC1(C(=O)N2C[C@@H](N)C3(CCC3)C2)CCNCC1 1615553101 GHBSJYJXTNZQQB-GFCCVEGCSA-N 281.400 0.342 0 50 CCAA C[C@H]1CO[C@]2(N3CCNCC3)c3ccccc3C(=O)N12 1772572469 WXCMCKSJDOTVBL-NHYWBVRUSA-N 273.336 0.577 0 50 CCAA Cc1noc(C)c1CCC(=O)N1CCC([C@@H](O)CO)CC1 1772711681 CULTUOIIFBMVAE-AWEZNQCLSA-N 296.367 0.816 0 50 CCAA CS(=O)(=O)c1ccc(N)cc1N1CCOCC1 15443071 QBRJRTMDHUKPIL-UHFFFAOYSA-N 256.327 0.509 0 50 CCAA O=C([C@H]1C=CCN1)N1CCN(C2CCCC2)C(=O)C1 1857682544 NFZNDCZTEKWYMS-GFCCVEGCSA-N 263.341 0.128 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2cncc(O)c2)C[C@H]1O 1875251579 WWSVBQNMQNUSTR-UKRRQHHQSA-N 294.351 0.773 0 50 CCAA O=C(N[C@@H](CO)C1CCCC1)c1cc(O)cc(O)n1 615058406 CVUVIBXWNXEXJF-NSHDSACASA-N 266.297 0.774 0 50 CCAA O=C(CN1CC[C@@H](CO)[C@@H](O)C1)Nc1ccc(Cl)cn1 514753662 HWFUCDXKPDVLGA-ONGXEEELSA-N 299.758 0.349 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)CCO1 111185491 MYMQWXWHMNPNKO-YPMHNXCESA-N 291.303 0.865 0 50 CCAA O=C(NC[C@H](O)C1CC1)c1cnn(CC(F)(F)F)c1 252536004 HKXRYXPFJMCCBR-VIFPVBQESA-N 277.246 0.946 0 50 CCAA Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C(=O)O)C1 901500257 PSDBVKSXUUOKMK-GMTAPVOTSA-N 277.324 0.847 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)O)C1 236815671 NDXUIPBMTICRIW-QWRGUYRKSA-N 268.313 0.321 0 50 CCAA CSCC[C@@H](NC(=O)c1ccc2[nH]nnc2c1)C(=O)O 37431241 UJNNELASOOMKJC-SECBINFHSA-N 294.336 0.894 0 50 CCAA C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC(C(C)(C)O)C1 408424292 UUIBREPONDIHNH-VIFPVBQESA-N 270.373 0.767 0 50 CCAA O=C(O)C1(CNS(=O)(=O)c2ccc(F)s2)COC1 2325792213 LVEPEQUYMHKUMQ-UHFFFAOYSA-N 295.313 0.267 0 50 CCAA CC[C@H]1C(=O)N(C)CCN1C(=O)Nc1cnc(OC)nc1 2325803954 MAEGRXWBGVOLHY-JTQLQIEISA-N 293.327 0.570 0 50 CCAA O=C([C@@H]1CCCO1)N1CCN(C(=S)NC2CC2)CC1 613435 QYXARDXACBIHOU-NSHDSACASA-N 283.397 0.347 0 50 CCAA O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2 1551920 ZIBMATWHOAGNTR-UHFFFAOYSA-N 270.266 0.115 0 50 CCAA in-vivo Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](C)O)c1 2965693 SFDYSISGFIEPSS-JTQLQIEISA-N 250.298 0.739 0 50 CCAA O=C(C[C@H]1NCCNC1=O)Nc1ccc(OC(F)F)cc1 4539080 AIFVSVPCLDHRHG-SNVBAGLBSA-N 299.277 0.705 0 50 CCAA CCOc1ccc(S(=O)(=O)N(C)CC(=O)O)cc1 6703949 QKXZWROYHGUFTL-UHFFFAOYSA-N 273.310 0.790 0 50 CCAA Cc1cccc(NC(=O)[C@@H]2CCCN([C@H](C)C(N)=O)C2)n1 248133830 ZNRUJUUVASJXKP-VXGBXAGGSA-N 290.367 0.914 0 50 CCAA Cc1cnc(NCCCc2nnn[nH]2)nc1N(C)C 65508062 JLWFVVWVAIBVNA-UHFFFAOYSA-N 262.321 0.409 0 50 CCAA Cn1ccnc1-c1nnc(NC(=O)[C@@H]2CCOC2)s1 366837338 ICKKZSNFUCVQLQ-SSDOTTSWSA-N 279.325 0.914 0 50 CCAA CN1CCN2CCN(C/C=C/c3ccco3)C[C@@H]2C1=O 65376424 LYQJSVUSBRVPPA-KWEXDPCDSA-N 275.352 0.751 0 50 CCAA COc1cc(CC2CN(S(N)(=O)=O)C2)cc(OC)c1 328588808 WVJMGJDVTOVNOU-UHFFFAOYSA-N 286.353 0.382 0 50 CCAA CCn1c([C@H]2OCC[C@H]2C)nn(CCCO)c1=O 328647232 TVRJDINYTXXOFT-ZJUUUORDSA-N 255.318 0.545 0 50 CCAA C[C@H]1CNCCN1C(=O)c1cnc(-c2cnn(C)c2)s1 125971534 XYCBYLPUYGJOSB-VIFPVBQESA-N 291.380 0.978 0 50 CCAA COc1ccc(C(=O)NCCSc2nnnn2C)o1 219286071 FUTDTHOMOUURQY-UHFFFAOYSA-N 283.313 0.334 0 50 CCAA Cc1nn(C)c2c1N(C(=O)[C@@H]1CNC(=O)C1)CCS2 369812386 YBIJUVJVBDLSAA-QMMMGPOBSA-N 280.353 0.303 0 50 CCAA CN1C[C@@H](CN=c2[nH]ccn(C)c2=O)Cc2ccccc21 368719972 UETLZSHUZPWEBP-GFCCVEGCSA-N 284.363 0.923 0 50 CCAA COC(=O)[C@H](C)N1CCc2nnc(C(C)C)n2CC1 39509176 WOGFCEKOSIFONB-JTQLQIEISA-N 266.345 0.821 0 50 CCAA COc1cc(N2CCC[C@@H](CNC(C)=O)C2)nc(N)n1 32590328 KLFQNEXBCIWIEM-JTQLQIEISA-N 279.344 0.420 0 50 CCAA CCOc1ncccc1C(=O)N1CCNC(=O)C[C@H]1C 371010223 MQJXFURXLSCSBJ-SNVBAGLBSA-N 277.324 0.831 0 50 CCAA C[C@H](CC(=O)NCCCC(=O)O)[C@@H]1CCCNC1 157037713 LDOZPIRNCLBDCF-GHMZBOCLSA-N 256.346 0.993 0 50 CCAA Cc1ccccc1C(=O)N[C@@H](C(=O)NCCN)C(C)C 236687780 YIBWGNQEKOTQAQ-CYBMUJFWSA-N 277.368 0.824 0 50 CCAA CSC[C@H](C)C(=O)N1CCC(O)(C(=O)O)CC1 262528843 SEPBIMUVXRNZHS-QMMMGPOBSA-N 261.343 0.424 0 50 CCAA Cn1nccc1CCC(=O)N1CC[C@](F)(C(=O)O)C1 262758231 KDUAXYHVDHFQQX-GFCCVEGCSA-N 269.276 0.378 0 50 CCAA Cn1cncc1CN1CCCO[C@H](CN2CCOCC2)C1 215594017 OGMBFRUGLLBFBM-OAHLLOKOSA-N 294.399 0.343 0 50 CCAA CC1(C)CN(C(=O)CN2CCOCC2=O)[C@H]2CCC[C@@H]21 334815706 KAUMVIMKWQFEDT-RYUDHWBXSA-N 280.368 0.882 0 50 CCAA C[C@H]1CN(C[C@@H]2CCCN2C(=O)[C@H]2CCNC2)C[C@@H](C)O1 263249937 IYZQLEFAGDWDHQ-XGUBFFRZSA-N 295.427 0.696 0 50 CCAA C[C@H](C(=O)NS(=O)(=O)c1cnn(C)c1)C1CC1 176521005 DEBDAXUIJGXCGO-ZETCQYMHSA-N 257.315 0.271 0 50 CCAA CCCOc1nccnc1N1CC[C@H](S(N)(=O)=O)C1 527894197 QSORYWGEDZIJMU-VIFPVBQESA-N 286.357 0.133 0 50 CCAA C[C@H](O)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 82096450 YJSUIZIHNHQXGT-JTQLQIEISA-N 289.335 0.793 0 50 CCAA CN1C[C@H](NC(=O)c2ccc(O)c(F)c2)CCC1=O 221354274 CQZVLLRTZWVYQS-SECBINFHSA-N 266.272 0.882 0 50 CCAA NS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCOC2)c1 44352928 HODVXTMVLOHKRY-JTQLQIEISA-N 298.364 0.490 0 50 CCAA CCN(Cc1nc(COC)no1)C(=O)C[C@@H]1CCOC1 426717043 WFUCBIQRISZZAO-JTQLQIEISA-N 283.328 0.991 0 50 CCAA CC1=C[C@@H](C)CN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1 336290916 XTDDLLWCBMNOQY-KOLCDFICSA-N 274.386 0.691 0 50 CCAA O=C1CCOCCN1Cc1nnc(-c2cccnc2)o1 95502561 VUSNFBFELUXJBU-UHFFFAOYSA-N 274.280 0.881 0 50 CCAA CS(=O)(=O)NC1CCN(c2ccc(F)cn2)CC1 96147962 IKKXCKVHNMAXBO-UHFFFAOYSA-N 273.333 0.739 0 50 CCAA CC(=O)N1CCC[C@@H](C(=O)NCCCn2ccnn2)C1 91626247 WTHCVIBSRRMVSJ-GFCCVEGCSA-N 279.344 0.043 0 50 CCAA CO[C@H](C(=O)Nc1cc(N(C)C)ncn1)C1CC1 298696682 QRYYOOHQVWNKJF-NSHDSACASA-N 250.302 0.906 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C2CCNCC2)CC1=O 299752517 UKCMDINYZOIUCS-JLLWLGSASA-N 265.357 0.112 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCC(N2CCSCC2)CC1 534675547 GXPCIJQQKZREFS-ZDUSSCGKSA-N 281.425 0.554 0 50 CCAA CCN(C)C[C@@H](C)C(=O)NCc1cccnc1N 534676227 FUYDYHHGBLFVJA-SNVBAGLBSA-N 250.346 0.868 0 50 CCAA Cc1csc(CCNc2cncc(C(N)=O)n2)n1 534662463 NLNCZEBNNMWMCH-UHFFFAOYSA-N 263.326 0.995 0 50 CCAA Cc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)no1 534577765 MUWNWBINKKHFLZ-STQMWFEESA-N 279.340 0.966 0 50 CCAA Cc1[nH]nc(CCC(=O)NCCn2ccnn2)c1C 534642935 PBTPZVQDTLOSFG-UHFFFAOYSA-N 262.317 0.367 0 50 CCAA COCCn1cncc1CNC(=O)CCSC 299789695 ABUSJFWDTCTGST-UHFFFAOYSA-N 257.359 0.899 0 50 CCAA O=c1c2c(F)cccc2ncn1[C@H]1COC[C@@H]1O 584900981 TYILFSAVABJBPD-UWVGGRQHSA-N 250.229 0.468 0 50 CCAA CSCCN1CCN(C(=O)[C@@H](O)CC(C)C)CC1 670462198 PODDTHGVIQAHDM-LBPRGKRZSA-N 274.430 0.901 0 50 CCAA CC(C)CC(=O)N1CCN(CCn2cnnc2)CC1 670458285 KKGSSZZRLOZFSN-UHFFFAOYSA-N 265.361 0.468 0 50 CCAA Cn1nc(C(=O)NCCCc2csc(N)n2)ccc1=O 670447654 HCVDHAWTZAPJAI-UHFFFAOYSA-N 293.352 0.182 0 50 CCAA COC(=O)[C@@H](C)CCN1Cc2nc(O)nc(O)c2C1 1875299202 CQTLTMFVPPUESX-ZETCQYMHSA-N 267.285 0.403 0 50 CCAA CN1C[C@H](NC(=O)N=c2nc(C3CC3)[nH]s2)CC1=O 1875277478 NJZHWXMQAONOAG-SSDOTTSWSA-N 281.341 0.190 0 50 CCAA C[C@@H]1C[C@@H](C(=O)Nc2cnc(N3CCNCC3)nc2)CO1 1875315459 WCYAKFQZWWQUIK-GHMZBOCLSA-N 291.355 0.250 0 50 CCAA COc1cc(NCCN2CCC[C@@H](CO)C2)nc(N)n1 952974506 IUYFATPBCRBZEO-SNVBAGLBSA-N 281.360 0.184 0 50 CCAA Cn1cncc1[C@H](N)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 958528225 OVJSIPKKDRUTID-SMDDNHRTSA-N 296.371 0.792 0 50 CCAA CCCCCc1nc(-c2cc(=O)n(C)c(=O)n2C)n[nH]1 952860643 QPNGMGGMIVPHEO-UHFFFAOYSA-N 277.328 0.602 0 50 CCAA NC(=O)c1n[nH]cc1NC(=O)/C=C/c1nccs1 1177518834 MERGVRXDPGJHJG-OWOJBTEDSA-N 263.282 0.617 0 50 CCAA COC[C@H]1[C@H](NC(=O)c2nccn2C)[C@H]2CCO[C@H]21 1565512915 MKHKRLSULZSOAY-LMLFDSFASA-N 265.313 0.200 0 50 CCAA C[C@]1(O)CCN(C(=O)c2c(O)cccc2F)C[C@H]1O 1565515189 UQMHKRMJJLDPCA-MFKMUULPSA-N 269.272 0.489 0 50 CCAA Cc1n[nH]cc1C(=O)N1CCC[C@H](N2CCOCC2)C1 19743729 XBXDHWCGJBWEQE-LBPRGKRZSA-N 278.356 0.655 0 50 CCAA O=C(CCc1cccc2c1OCO2)NC1(CO)CC1 186245128 XQAJWWNHKIYTJZ-UHFFFAOYSA-N 263.293 0.989 0 50 CCAA CO[C@H]1CN(C(=O)[C@@H](C)OCC2CC2)C[C@H]1OC 170612266 JVEHERFMBPUXTH-JLLWLGSASA-N 257.330 0.674 0 50 CCAA CNC(=O)C[C@]1(O)CCCN(Cc2cncn2C(C)C)C1 643758108 GPEFECXZICQGNZ-OAHLLOKOSA-N 294.399 0.927 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)C1CC=CC1 643942182 XQZZGBHEGQJDGL-ZDUSSCGKSA-N 252.314 0.446 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccn(CCC(N)=O)n1 191897953 XBQCHUUQEQDAMC-UWVGGRQHSA-N 280.328 0.512 0 50 CCAA CC(C)(C)n1nnc(C(=O)N2CCCC[C@H]2C(=O)O)n1 656473040 GIYASDYFRLSQJZ-QMMMGPOBSA-N 281.316 0.507 0 50 CCAA O[C@]1(Cn2ccnn2)CCN(CCc2ccncc2)C1 671551903 RNCLHOPDPMQHQA-CQSZACIVSA-N 273.340 0.353 0 50 CCAA CCn1cc(CCN2CCC[C@](O)(c3cnn[nH]3)C2)cn1 794585655 YUUMALAKPVWWLY-CQSZACIVSA-N 290.371 0.547 0 50 CCAA CCc1c(C)noc1NC(=O)CCn1nnnc1C 1506417018 JPAIZIDKFWFIOY-UHFFFAOYSA-N 264.289 0.869 0 50 CCAA CC(C)CN1CC[C@@H](CN(C)C(=O)NCC(=O)O)C1 1506405539 ACFAYUYUZFBNMS-NSHDSACASA-N 271.361 0.690 0 50 CCAA COc1cccc(C(=O)N2CCC[C@](O)(CO)C2)c1O 215424098 JIRPHABUCTZKBD-CQSZACIVSA-N 281.308 0.360 0 50 CCAA Cc1n[nH]c(C)c1CN1C[C@@H]2[C@@H](C1)C2(CO)CO 1772700449 AYJYJAZIJRSPPY-VXGBXAGGSA-N 251.330 0.059 0 50 CCAA CN(C)CC(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 12587179 JDVKIPDUZJFEFQ-CQSZACIVSA-N 289.379 0.508 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1cnc2[nH]ncc2c1 169994567 DDCQUWDIUWVSHU-UHFFFAOYSA-N 263.106 0.212 0 50 CCAA Cc1nsnc1C(=O)NCc1n[nH]c2c1CCC2 1857687689 AADJWATTWCVVMH-UHFFFAOYSA-N 263.326 0.988 0 50 CCAA O=C1NC[C@@H](C(=O)N2CCC3(CCCCO3)CC2)N1 1857688088 SWWXSYYEZDSTMA-JTQLQIEISA-N 267.329 0.230 0 50 CCAA COc1cc(C)c(C)cc1S(=O)(=O)NCC(=O)O 11888678 OWSPJJPKERGSDE-UHFFFAOYSA-N 273.310 0.675 0 50 CCAA CCN1CN(C[C@H](O)COc2ccccc2C)CC1=O 252504526 VJTWJNIHAZOTSM-ZDUSSCGKSA-N 278.352 0.856 0 50 CCAA C[C@@H]1CCCN[C@H]1CNC(=O)COC[C@H]1CCCO1 390834587 GRHIOPMETQRKKI-UPJWGTAASA-N 270.373 0.686 0 50 CCAA O=S1(=O)CCC(N=c2nc[nH]n3cccc23)CC1 1875288403 AEDDEJJFMPTTDO-UHFFFAOYSA-N 266.326 0.140 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)c1cnn2c1CCCC2 263338366 WUZPFNMSZSSJOO-LLVKDONJSA-N 263.297 0.909 0 50 CCAA O=C1NC2(CCNCC2)C(=O)N1CCCc1cnoc1 77287323 GGRCQDLTOBGZIH-UHFFFAOYSA-N 278.312 0.281 0 50 CCAA O=C(O)CC1CC(NC(=O)CCn2ccnc2)C1 718056523 AGILYNWBGMHLKN-UHFFFAOYSA-N 251.286 0.643 0 50 CCAA O=C(NO[C@H]1CCOC1)[C@@H]1CC(c2ccccn2)=NO1 2325762891 UTBNORNFRKTCEA-CABZTGNLSA-N 277.280 0.411 0 50 CCAA Cn1nnc2c1[C@H](C(=O)NO[C@H]1CCOC1)CCC2 2325773495 IWVIZWNIWYEIHJ-DTWKUNHWSA-N 266.301 0.072 0 50 CCAA CC1=C(C(N)=O)[C@H](c2ccccn2)N2NN=NC2=N1 71545 MSCNMIVYGDIZRK-VIFPVBQESA-N 257.257 0.439 0 50 CCAA NC1=NC(=O)C2(COC(c3ccncc3)OC2)S1 267801 KZDPKDSPDUVHGB-UHFFFAOYSA-N 265.294 0.454 0 50 CCAA [O-][n+]1onc2c1CC[C@@H]1N(O)[C@@H](c3ccccc3)C[C@]21O 1226997 KCRYRGHFKYXPRM-MBNYWOFBSA-N 289.291 0.647 0 50 CCAA CCN1C(=O)C[C@H](N2CCC(C(=O)OC)CC2)C1=O 2886120 WPLBCJSZGABFJR-JTQLQIEISA-N 268.313 0.019 0 50 CCAA CCN(C[C@H]1CCCNC1)[C@@H]1CCS(=O)(=O)C1 226434453 OCLDYOOVPYGQBX-NWDGAFQWSA-N 260.403 0.495 0 50 CCAA COc1ccccc1CC(=O)NC[C@H]1COCCO1 54616992 IWSJIGJECOBMSD-LBPRGKRZSA-N 265.309 0.769 0 50 CCAA Cc1nc(NC(=O)CN2CCN(C)CC2)sc1C 67321066 KIWRHQPGVLQNDJ-UHFFFAOYSA-N 268.386 0.946 0 50 CCAA CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)[C@@H]1CCOC1 257366262 PVHXSOOOFVCDAT-FRRDWIJNSA-N 288.413 0.664 0 50 CCAA O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)[C@@H]1CCCCS1(=O)=O 333397772 FCYUVVMTFPLFLN-VLEAKVRGSA-N 257.355 0.868 0 50 CCAA C[C@@H](CO)N(CCN1CCN=C1O)C1CCCC1 329653218 LJECIMIPMUTKBP-NSHDSACASA-N 255.362 0.841 0 50 CCAA CO[C@@]1(C(=O)N2CC[C@H](c3nccn3C)C2)CCOC1 329944789 FLNIOSRPCBKFEB-FZMZJTMJSA-N 279.340 0.542 0 50 CCAA Cc1ccccc1CNC(=O)CN1CCOC[C@@H](O)C1 77303926 KNPPPYDOQYFWDN-AWEZNQCLSA-N 278.352 0.304 0 50 CCAA O=C(c1cc2ccccn2c1)N1CCO[C@H](c2nn[nH]n2)C1 365768574 HQLSJSLRDAMSRO-LBPRGKRZSA-N 298.306 0.666 0 50 CCAA CCn1nncc1CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 333125257 AFTOPZWKRZWGIK-UKJIMTQDSA-N 286.335 0.995 0 50 CCAA CCS(=O)(=O)N1CCc2c(nc(C)nc2N(C)C)C1 71416308 PAHGPCSGASJPOP-UHFFFAOYSA-N 284.385 0.559 0 50 CCAA CNC(=O)c1cccnc1N[C@@H]1CCC(=O)N(C)C1 78295045 AQOCUWFCCGKTOB-SECBINFHSA-N 262.313 0.474 0 50 CCAA CC(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1 36182534 CSEXBPHHISUFMA-UHFFFAOYSA-N 290.370 0.671 0 50 CCAA C[C@@H](O)C(=O)N1CCN(Cc2ccc3cn[nH]c3c2)CC1 131639923 WWTRHLSXDFFDJT-LLVKDONJSA-N 288.351 0.588 0 50 CCAA CNCc1nnc(S[C@H](C)C(=O)NC2CC2)n1C 426500366 XUKBTIAZFQDHGE-SSDOTTSWSA-N 269.374 0.294 0 50 CCAA C[C@H](C(=O)NC(C)(C)c1nnc(N)s1)N(C)C 426661157 BJFMVFBZZJYHBE-ZCFIWIBFSA-N 257.363 0.422 0 50 CCAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2cc(Cl)cn2C)C1 426677441 JZIBZSYFGXVXIO-KOLCDFICSA-N 299.758 0.908 0 50 CCAA Cc1ncc(S(C)(=O)=O)c(NC[C@H]2CCCO2)n1 95377873 ZPRVSEAOCUMNSJ-SECBINFHSA-N 271.342 0.779 0 50 CCAA COCc1noc(CNc2cc([C@H]3C[C@@H](O)C3)ncn2)n1 244887879 YQBGCDYBDAGCHI-DTORHVGOSA-N 291.311 0.856 0 50 CCAA Cc1nnnn1-c1cccc(NC2=CC(=O)NC2)c1 524733348 JRHFFCWBRNHLKH-UHFFFAOYSA-N 256.269 0.396 0 50 CCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H](C(=O)O)C1 299744920 VNAKGRMBEHIKJI-TUAOUCFPSA-N 285.340 0.894 0 50 CCAA CCN(C(=O)CCCn1cccn1)[C@H]1COC[C@@H]1O 252478146 AEGRELPVHYUYLF-RYUDHWBXSA-N 267.329 0.272 0 50 CCAA CCc1noc([C@H](C)NC(=O)CSc2nc(N)n[nH]2)n1 823569514 UZUODCDCBAMDGH-YFKPBYRVSA-N 297.344 0.302 0 50 CCAA COC(=O)N1CCN(Cc2cnc3[nH]cncc2-3)CC1 585136654 OLXCXUVOIHSUHW-UHFFFAOYSA-N 275.312 0.794 0 50 CCAA COCCN1CCC[C@H](CNc2ccc(C(N)=O)cn2)C1 670455832 AUKRXLXQOQGOOU-GFCCVEGCSA-N 292.383 0.951 0 50 CCAA O=C(NCc1ccc(O)nn1)c1ccc2cc[nH]c2n1 1556718883 NNUGQIPRJQXZPL-UHFFFAOYSA-N 269.264 0.989 0 50 CCAA CCN1CCC[C@@H]1CNC(=O)CNc1ncccn1 1875339119 AABCWGDYVLGLMD-LLVKDONJSA-N 263.345 0.489 0 50 CCAA COc1ccc2nc(CNC(=O)N[C@@H](C)C(=O)O)[nH]c2c1 952986793 GJWUFSSWAHKPNO-ZETCQYMHSA-N 292.295 0.844 0 50 CCAA NC(=O)C1(NC(=O)CCN2CCCCCC2=O)CCCC1 952984970 ZKVDYMGYTPSRET-UHFFFAOYSA-N 295.383 0.693 0 50 CCAA N[C@H]1[C@H]2CC[C@@H]1CN(CC[C@H]1CCS(=O)(=O)C1)C2 885939048 OUTHWYXWXKTEEG-RVMXOQNASA-N 272.414 0.480 0 50 CCAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2cncn2C)cn1 886043475 RIMRDSCARNBVEP-CMPLNLGQSA-N 275.312 0.414 0 50 CCAA COC[C@H](O)CNc1nc2ccccc2n2nnnc12 893722101 BRAJPIOPPYFDHY-MRVPVSSYSA-N 274.284 0.092 0 50 CCAA COc1cc(C)nc(N2CCN(c3ccnnc3)CC2)n1 895963513 LYVPQGFJPCMTEP-UHFFFAOYSA-N 286.339 0.910 0 50 CCAA CO[C@H]1C[C@H](NC(=O)NC[C@H](O)c2c(C)nn(C)c2C)C1 1775987192 OFSDPPCJKPSYML-SRVKXCTJSA-N 296.371 0.547 0 50 CCAA O=C(CN1Cc2ccccc2C1)N[C@H]1COCC[C@@H]1O 1565511761 KILATJGFATXVKV-KBPBESRZSA-N 276.336 0.268 0 50 CCAA COCCn1cnnc1CN(C)CCN1C[C@@H]2CC[C@H]1C2 1565529032 QKWYJRQRFYDKAZ-KGLIPLIRSA-N 293.415 0.841 0 50 CCAA COC[C@H](O)CNC1CCN(c2nccs2)CC1 271930689 KWUNGNPOUHGKEE-LLVKDONJSA-N 271.386 0.709 0 50 CCAA CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)c1ccccn1 275607347 IJTRVBVVZPIFJM-QWRGUYRKSA-N 294.330 0.051 0 50 CCAA O=C(NCc1ccc(-n2cccn2)cc1)[C@@H]1COCCN1 170048741 KYTJOUGZZMHGFC-AWEZNQCLSA-N 286.335 0.477 0 50 CCAA CCN1CCN(CC(=O)N(C)Cc2ccc(C)cn2)CC1 682817574 YACGLDFEJWMLNV-UHFFFAOYSA-N 290.411 0.986 0 50 CCAA CCS(=O)(=O)C[C@@H](C)NCc1ccnc(N(C)C)n1 170591968 YWCMQELXNAVHKQ-SNVBAGLBSA-N 286.401 0.455 0 50 CCAA Oc1nc(N2CCO[C@@H]3CCC[C@H]32)nc2[nH]ncc12 280664672 XSVHPSDHIPQMMJ-RKDXNWHRSA-N 261.285 0.816 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)CCCc1nn[nH]n1 635565314 NGSBPQOSWQKBDI-MNOVXSKESA-N 278.360 0.218 0 50 CCAA CC(C)(C)SCC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 225482433 LQFOURJVTFDLGJ-NXEZZACHSA-N 286.397 0.634 0 50 CCAA CN(C)C[C@]1(O)CCCN(C[C@H]2CCc3ncnn32)C1 639761989 IYIAZCMKBUEVMT-TZMCWYRMSA-N 279.388 0.154 0 50 CCAA CC(C)c1nncn1CCNC(=O)c1ccc(N)cn1 573118760 WYXQVHFBIYAROR-UHFFFAOYSA-N 274.328 0.809 0 50 CCAA CC[C@H](C)N(C)CCNC(=O)N1CCN(C(=O)C2CC2)C1 575241165 KRXZNYPELBAJBS-LBPRGKRZSA-N 296.415 0.938 0 50 CCAA Cc1cnc(CN2CCC[C@](O)(c3cnn[nH]3)C2)o1 794044572 SCTQVUFBFSNRGM-GFCCVEGCSA-N 263.301 0.585 0 50 CCAA O=C1C[C@@H]2CN(c3nnc(CC(F)(F)F)o3)C[C@@H]2CN1 1857682947 SAQXDOVGVHRBIM-RQJHMYQMSA-N 290.245 0.747 0 50 CCAA CS(=O)(=O)NCC(=O)N1CC[C@@H]1c1ccc(F)cc1 1857693276 PNHDYEHOQUFFSR-LLVKDONJSA-N 286.328 0.648 0 50 CCAA O=C(CO)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704342131 IBNKDSWHIQGKDB-DOMZBBRYSA-N 286.331 0.901 0 50 CCAA CCN(CC)S(=O)(=O)NCc1cncc(F)c1 1616037678 DUCXFNFWTJCDFR-UHFFFAOYSA-N 261.322 0.897 0 50 CCAA CN(CC1CCN(CCO)CC1)C[C@H]1CCC(=O)N(C)C1 1775980673 GUOQPCNIJQWTPU-OAHLLOKOSA-N 297.443 0.491 0 50 CCAA CNC(=O)C1(C)CCN(CC[C@@H]2COCCO2)CC1 1775983052 HBPVTHBAGSOJPM-GFCCVEGCSA-N 270.373 0.640 0 50 CCAA CC(=O)CC(=O)NCCCCCCNC(=O)CC(C)=O 5377982 AIFJBZBIPOLSIJ-UHFFFAOYSA-N 284.356 0.737 0 50 CCAA CC(=O)CCCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O 12364089 MQGNNJQTNFHNHK-QWRGUYRKSA-N 280.328 0.308 0 50 CCAA CCNC(=O)N1CCN=C1Nc1nc(C)cc(C)n1 19529363 QYLMPWJNKIZJTR-UHFFFAOYSA-N 262.317 0.906 0 50 CCAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1C[C@@H]1C(=O)O 331695500 UMSIAUNKOZHZKB-QILRFPOHSA-N 279.340 0.805 0 50 CCAA Cc1c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cnc2ccnn12 248146428 RXIIKJJDLBYDRF-YPMHNXCESA-N 285.351 0.814 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)Cc2ccccc2O)C[C@H]1O 1704343394 GYRNSWMVHRCMNW-CMPLNLGQSA-N 279.292 0.229 0 50 CCAA CCc1ncc(S(=O)(=O)NCC2(CO)CCCC2)[nH]1 123861874 QCFBIFJPIDNESV-UHFFFAOYSA-N 287.385 0.803 0 50 CCAA Cn1nccc1S(=O)(=O)N1CCCC[C@H]1c1nnc[nH]1 294409668 MNLPUYJTPRUSSE-VIFPVBQESA-N 296.356 0.454 0 50 CCAA CCc1noc(C)c1C(=O)N1CC[C@@](O)(CN(C)C)C1 72144656 LYLTVDBPBYLVEQ-CQSZACIVSA-N 281.356 0.684 0 50 CCAA Cc1cc(C)nc(CCNC(=O)N2CCOCC2)n1 426489667 PDNFJGHHLGNINK-UHFFFAOYSA-N 264.329 0.678 0 50 CCAA CC(C)(C)c1ncc(C(=O)N[C@H]2C=CS(=O)(=O)C2)[nH]1 2325779024 BLVZSIAJDUKCMQ-QMMMGPOBSA-N 283.353 0.748 0 50 CCAA CCOC(=O)[C@@H](CC)Sc1nnc(O)[nH]c1=O 146376 OILCTGFEQACZJT-RXMQYKEDSA-N 259.287 0.304 0 50 CCAA CC[C@@](C)(O)c1nnn(-c2nonc2N)c1[C@](C)(O)CC 2545756 PYZJFRNVKPZAAR-VXGBXAGGSA-N 296.331 0.468 0 50 CCAA C[C@H](O)CNC(=O)C(=O)Nc1ccc(N(C)C)cc1 2944223 RBAZTBOYVTULAT-VIFPVBQESA-N 265.313 0.188 0 50 CCAA COc1cc(CNCCN(C)C)ccc1OCC(N)=O 20215545 LUTIOSLCMWDYGR-UHFFFAOYSA-N 281.356 0.211 0 50 CCAA CC(=O)Nc1ccc(CN2CCN(CCO)CC2)cc1 23114861 NERFTSLLGMNOSJ-UHFFFAOYSA-N 277.368 0.755 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cncc(C)c1 67867794 FMURZQAZRBZNNM-NEPJUHHUSA-N 276.340 0.068 0 50 CCAA O=C(NCCCn1ccnn1)[C@H]1CCC[C@H](O)C1 219331189 QDLHKHLALJRDSB-QWRGUYRKSA-N 252.318 0.336 0 50 CCAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccccn1 67803528 DBLLUQPKCJPWTO-JQWIXIFHSA-N 276.340 0.148 0 50 CCAA O=C(NCc1ccncc1)C(=O)NCc1ccco1 37868764 ZPWQODMLJLXVSL-UHFFFAOYSA-N 259.265 0.607 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc3c(c2)OCCO3)C1 284443995 APPBAOYGXXNYLP-RYUDHWBXSA-N 292.335 0.532 0 50 CCAA CCN1CCO[C@H](C(=O)N2CCC(c3cn[nH]c3)CC2)C1 369935628 NHQLQPQOMGATNV-AWEZNQCLSA-N 292.383 0.836 0 50 CCAA Cc1ccc2nc(C(=O)N[C@H](C)C(N)=O)c(F)n2c1 215906363 TYHBPXYGWSYHHI-SSDOTTSWSA-N 264.260 0.385 0 50 CCAA Cc1nc2ccccc2nc1CN1C[C@@H](CO)[C@H](CO)C1 216326392 NZSDPFCIELKPIN-STQMWFEESA-N 287.363 0.971 0 50 CCAA O=c1c2cccc(F)c2ncn1CCOCCO 32582139 FKWYVDRVBHPYQE-UHFFFAOYSA-N 252.245 0.545 0 50 CCAA O=C(Cn1ccccc1=O)N1CC[C@@]2(CCCOC2)C1 375375265 CCPAOFWTKAUTCN-HNNXBMFYSA-N 276.336 0.877 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 128239418 LCXZRXTVYKQTEC-BJDJZHNGSA-N 265.309 0.901 0 50 CCAA CCN1CCN([C@H]2CCN(CCn3ccnc3C)C2)CC1 336835559 JOWOFJFRUOZJAH-INIZCTEOSA-N 291.443 0.903 0 50 CCAA CN1CC2(CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)C1 614034233 ASBMILPDRBJJFG-UHFFFAOYSA-N 277.372 0.811 0 50 CCAA Cc1noc([C@H](C)N2CCO[C@@H](CN(C)C)C2)n1 229536140 PGLMWZDDDRTSJM-ONGXEEELSA-N 254.334 0.701 0 50 CCAA NCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 178333311 GOCJTSAFTNKYIF-LBPRGKRZSA-N 261.325 0.366 0 50 CCAA Cn1cnc2c(C(=O)N3CC4(CCOC4)C3)ccnc21 329662289 PHPRCPJDOCVFKT-UHFFFAOYSA-N 272.308 0.831 0 50 CCAA O=C([C@@H]1CCS(=O)(=O)C1)N1CC(c2ccncc2)C1 426551968 KMPQAHOIQLYJTC-LLVKDONJSA-N 280.349 0.442 0 50 CCAA O=C(CCc1cccnc1)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 426740493 MSPHHIQOJABTEA-XGUBFFRZSA-N 290.363 0.604 0 50 CCAA Cc1nc([C@H](C)NC(=O)CN(C)C2CCN(C)CC2)n[nH]1 221442772 CQWGERDWYPVLAP-JTQLQIEISA-N 294.403 0.316 0 50 CCAA Cc1[nH]nc(C(=O)NC[C@@H](O)CN2CCCC2)c1Cl 426423318 GPGIYVFPVIBSPE-SECBINFHSA-N 286.763 0.558 0 50 CCAA Cc1ccc(Cl)c(S(=O)(=O)NCCC(N)=O)c1 179635744 PJCCFJFBMOPOKY-UHFFFAOYSA-N 276.745 0.802 0 50 CCAA C[C@H]1CCCCN1C(=O)COC(=O)CCCCC(N)=O 225841079 PNQMVXRTQBGKID-NSHDSACASA-N 284.356 0.976 0 50 CCAA Nc1nc(CCNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)cs1 426584185 YEEGVCSSTBEHHQ-JGVFFNPUSA-N 283.353 0.885 0 50 CCAA O=C(NC[C@@H]1COc2ccccc2C1)c1cnc[nH]c1=O 95517883 CWGLJSYIAJGFMV-SNVBAGLBSA-N 285.303 0.751 0 50 CCAA Cc1cnccc1CNC(=O)N1CCC[C@](O)(CO)CC1 426530336 AIKHYCRYPZJLKR-OAHLLOKOSA-N 293.367 0.809 0 50 CCAA CC(C)(C)OC(=O)COCCOCCOCCO 96503340 YZXRUQCLSBHYHG-UHFFFAOYSA-N 264.318 0.370 0 50 CCAA CCn1nc(C2CCOCC2)nc1CN1CCNC(=O)C1 97492604 LWGSXVNKLBQGTF-UHFFFAOYSA-N 293.371 0.124 0 50 CCAA CN1CCCC[C@@H]1CCC(=O)NCc1nc(C(N)=O)no1 95386647 CQWWGEYCFLLGTG-SECBINFHSA-N 295.343 0.049 0 50 CCAA C[C@@H]1C[C@@H]1CNS(=O)(=O)c1cccc(C(N)=O)c1 298804621 HHIKMIJNIHLRSQ-PSASIEDQSA-N 268.338 0.720 0 50 CCAA COCCCn1cnnc1CNC(=O)c1csc(N)n1 299789412 ZSCBOQKLSPLPAN-UHFFFAOYSA-N 296.356 0.283 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)[C@@H](C)Cn1cncn1 827628033 LBYIDZFFYKDUNV-LBPRGKRZSA-N 288.355 0.268 0 50 CCAA CN1CCC(O)(CNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)CC1 670469067 ACZZJRZDFANBGM-SIMOQEFBSA-N 278.396 0.851 0 50 CCAA C[C@@H](CN1CCCC1)C(=O)NCCc1ncnn1C 670456259 YPBDVCHERMZPNW-NSHDSACASA-N 265.361 0.206 0 50 CCAA COCCN1C[C@H](CNC(=O)CCC(F)(F)F)CC1=O 670451376 NVSMQSYHNSGYMM-VIFPVBQESA-N 296.289 0.940 0 50 CCAA COc1ccc(F)c(N2C[C@H]3CCC(=O)N[C@H]3C2)n1 1875288057 MBNDDDZDFLCGCT-SCZZXKLOSA-N 265.288 0.944 0 50 CCAA Cc1cccc(O)c1C(=O)N1CC[C@H](Cc2nn[nH]n2)C1 1875285846 CLQJOBHOOGLXLN-SNVBAGLBSA-N 287.323 0.919 0 50 CCAA CC(C)N(C(=O)Cc1nnn(C(C)(C)C)n1)[C@H](C)C(=O)O 1875323348 FQNULRQZXCETMB-SECBINFHSA-N 297.359 0.681 0 50 CCAA NC(=O)CN1CCC[C@@H](C(=O)NCC[C@H]2CCCOC2)C1 952976383 KHLIROVKJHMKPY-CHWSQXEVSA-N 297.399 0.117 0 50 CCAA COCC1(NC(=O)[C@@H]2CCCN(CC(N)=O)C2)CCCC1 952987971 PEABYCKCIYJSHT-GFCCVEGCSA-N 297.399 0.259 0 50 CCAA CC(C)N(C)S(=O)(=O)NC(=O)[C@H]1CCCN(C)C1 1775997926 PKFRZGOHBHXNFS-JTQLQIEISA-N 277.390 0.029 0 50 CCAA O[C@H]1CN(c2ccc(C(F)(F)F)cn2)OC[C@H]1O 1775992764 MRRBATZRIADJKI-JGVFFNPUSA-N 264.203 0.574 0 50 CCAA Cc1nc(CC(=O)N2CCO[C@@H](COCC3CC3)C2)n[nH]1 1775988095 GIBVPVQDJQGVIS-GFCCVEGCSA-N 294.355 0.310 0 50 CCAA CCC[C@]1(CO)CCN(Cc2cc(O)nc(C)n2)C[C@H]1O 1529141803 PYKWDLWGRMQQPW-UKRRQHHQSA-N 295.383 0.836 0 50 CCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccncc1O 1565525633 JIZRQDFVSURDHL-RYDUCSDGSA-N 277.324 0.235 0 50 CCAA CN(CC(=O)N[C@H]1C[C@H]2OCC[C@@H]12)Cc1ccncc1 1565528934 WOGXMUUWXPYVLA-MELADBBJSA-N 275.352 0.807 0 50 CCAA Cc1c[nH]ccc1=NC(=O)N[C@H]1CCS(=O)(=O)C1 408063449 QLHCMWSSORJUNF-VIFPVBQESA-N 269.326 0.121 0 50 CCAA CC(C)(O)[C@@H]1CCCN1C(=O)N[C@H]1CC[S@](=O)C1 408210718 JXWJDINBUKHAFU-RAALSFIWSA-N 274.386 0.452 0 50 CCAA CC(C)CN1CC(=O)N(CCCN2CCOCC2)C1=O 170592387 PVGJBYLGGDILBK-UHFFFAOYSA-N 283.372 0.629 0 50 CCAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]1CCC(=O)N1 170934175 HUMQFIHXLLZRTI-UTUOFQBUSA-N 268.357 0.977 0 50 CCAA CC(C)OCCCNC(=O)C1(S(C)(=O)=O)CC1 225397362 OAEOZAPXAVPKLN-UHFFFAOYSA-N 263.359 0.495 0 50 CCAA Cc1nc2ncnn2c(N[C@@H]2C[C@@H](C(=O)O)C[C@H]2O)c1C 662895218 CIFPZEDLTOWQNO-OPRDCNLKSA-N 291.311 0.377 0 50 CCAA COc1ccc([C@@H](C(=O)O)N2CCNC(=O)CC2)cc1F 1506425380 FHUSIVCYECMCGB-ZDUSSCGKSA-N 296.298 0.782 0 50 CCAA CC1(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 408280148 FXBCGIYTUIQKCR-JTQLQIEISA-N 274.386 0.574 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cnn2ccc(N)cc12 1615555526 UQYVZAARLKGVJY-DGCLKSJQSA-N 290.323 0.450 0 50 CCAA O=C(O)C[C@H]1N=C(Nc2nc3ccccc3o2)NC1=O 5731756 AOVMBSMJQPJNFC-SSDOTTSWSA-N 274.236 0.569 0 50 CCAA C[C@@H]1C[C@@H](C)[C@H](C(=O)N(CC(=O)O)C2CCOCC2)O1 653558393 YHFQXKIPEUVQFF-GIPNMCIBSA-N 285.340 0.892 0 50 CCAA O=C(COCC1CC1)N1CCC[C@@](O)(Cn2ccnn2)C1 671472276 YSSKWRPYAWGLHP-AWEZNQCLSA-N 294.355 0.058 0 50 CCAA CN1CC[C@H](N2CCCN(C(=O)c3ccc[nH]3)CC2)C1=O 371660527 QLFIXGUBWQKMLK-ZDUSSCGKSA-N 290.367 0.393 0 50 CCAA O=C(Cn1cnnc1)N1CCC[C@@H](C2(O)CC2)C1 1772819106 DUNMSTUTYJVCCL-SNVBAGLBSA-N 250.302 0.042 0 50 CCAA NC[C@@H]1CC2(CCN(C(=O)Nc3nncs3)CC2)CO1 900473906 VWBXAKZQMLUQCE-VIFPVBQESA-N 297.384 0.900 0 50 CCAA CN1CCC(N(C)CCN(C)[C@H]2CCN(C)C2=O)CC1 241587960 OYKJIWWQZXOELJ-AWEZNQCLSA-N 282.432 0.175 0 50 CCAA C[C@H]1CCCN(C(=O)CCn2ccccc2=O)[C@@H]1CN 156952311 BHNUNENWVKGTAZ-QWHCGFSZSA-N 277.368 0.824 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)O 159906407 NNHISXLDTMECLW-GHMZBOCLSA-N 268.313 0.463 0 50 CCAA CN(C)S(=O)(=O)CCCN1CCC[C@]2(CCNC2)C1 420354123 BMIPIZSHKGINJI-CYBMUJFWSA-N 289.445 0.343 0 50 CCAA Cn1ncnc1CNC(=O)COC(F)(F)C(F)(F)F 2325805756 SBTUUHVURXETFH-UHFFFAOYSA-N 288.176 0.603 0 50 CCAA CC(Oc1ccc(O)cc1)(P(=O)(O)O)P(=O)(O)O 1533832 JKOCAAWWDVHWKB-UHFFFAOYSA-N 298.124 0.800 0 50 CCAA in-vitro COCCNC(=O)CCCCCN1C(=O)CCC1=O 2866849 TZSSPGHYJZMBAL-UHFFFAOYSA-N 270.329 0.458 0 50 CCAA CCNC(=O)NC(=O)CNc1cccc2c1CN(C)C2=O 417069346 GKFAECRUWLHONJ-UHFFFAOYSA-N 290.323 0.530 0 50 CCAA CC(C)(C)NC[C@@]1(O)C2CN3CCN(C2)CC1(C)C3 22108157 XMRMRZZKYWCFFY-PESDSKBTSA-N 267.417 0.373 0 50 CCAA CCC[C@@H](CC)[S@](=O)CCCS(N)(=O)=O 359404714 FSSVPMMGBPQKMO-YMTOWFKASA-N 255.405 0.992 0 50 CCAA C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1ccc(F)cc1 22606757 PRXYDYDBZHZMJI-VIFPVBQESA-N 288.344 0.894 0 50 CCAA CC[C@H](C(N)=O)N(c1ccccc1F)S(C)(=O)=O 67604297 HTCVTCMLVKLGJG-SECBINFHSA-N 274.317 0.856 0 50 CCAA Cc1nc(C2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)no1 361569922 XUIAKNWGMUOVLZ-NSHDSACASA-N 292.339 0.562 0 50 CCAA O[C@@]1(c2c[nH]nn2)CCN(c2ncc(Cl)cn2)C1 284503193 KOWFOFTXJCCFHI-JTQLQIEISA-N 266.692 0.346 0 50 CCAA Cn1nccc1C1CCN(C(=O)[C@H]2COCCN2)CC1 237678172 MLHJAFRBMLKLPC-GFCCVEGCSA-N 278.356 0.115 0 50 CCAA CN(CC(=O)O)S(=O)(=O)Cc1noc2ccccc12 261721994 FYOFIWFEZPUNEZ-UHFFFAOYSA-N 284.293 0.674 0 50 CCAA C[C@@H]1CCCN1C(=O)C(=O)N1CCC([C@@H]2CCCN2)CC1 335067779 MMZFUQVFVBPLFA-OCCSQVGLSA-N 293.411 0.988 0 50 CCAA COC(=O)[C@H](CC(N)=O)n1ccnc1-c1ccc(CO)o1 71745493 ZWTNSRDKSMFFRH-VIFPVBQESA-N 293.279 0.225 0 50 CCAA Cc1nn(C)c2ncnc(N[C@H](CC(C)C)C(N)=O)c12 72477641 QWELWUSORDFCEM-SECBINFHSA-N 276.344 0.984 0 50 CCAA CN(C)S(=O)(=O)CCN1CC[C@H](O)c2ccccc2C1 377409458 HZFGGBBCMHATBK-AWEZNQCLSA-N 298.408 0.817 0 50 CCAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1c[nH]c(=O)cn1 77436872 JEWWBNCGPWZSFW-LLVKDONJSA-N 292.339 0.243 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cn[nH]c2)C1 286318908 JEDFIFIJCIMNFM-STQMWFEESA-N 278.356 0.735 0 50 CCAA O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@]23CCOC3)C1 263571575 JOYCXYCCQPVQLI-LALPHHSUSA-N 297.351 0.895 0 50 CCAA O=C(O)CN1CCC(NC(=O)c2ccc(F)cc2O)CC1 426690501 CNYLAUQEYFFLKJ-UHFFFAOYSA-N 296.298 0.810 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1c(C2CC2)cnn1C 614455679 MWDSFUSYXTVSHA-GZMMTYOYSA-N 276.340 0.694 0 50 CCAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cccc(-n2cnnc2)n1 222954309 LFGLZJFADAUQMG-USWWRNFRSA-N 285.307 0.570 0 50 CCAA O=C(COC[C@H]1CCCO1)N1CCC(c2ncn[nH]2)CC1 82979423 NHFGYNHPNCMMTQ-GFCCVEGCSA-N 294.355 0.706 0 50 CCAA CCN1C[C@H](NC(=O)c2ccc3c(=N)[nH]cnc3c2)CC1=O 615850914 ORZZGGZGDIOWAT-SNVBAGLBSA-N 299.334 0.393 0 50 CCAA C[C@@](O)(CCCO)CNC(=O)c1cccc(C(=O)O)c1 97655429 SSYBXMCUSZXXNP-CQSZACIVSA-N 281.308 0.638 0 50 CCAA CN1CCC[C@@]2(CCCN(C(=O)Cn3ccnn3)C2)C1 426658219 KWNWEJPATYFMQH-CQSZACIVSA-N 277.372 0.613 0 50 CCAA Cn1cc(Cl)c(C(=O)N2C[C@@H]3CCCN[C@@H]3C2)n1 97675237 JOZUMDZQRDVGHM-WCBMZHEXSA-N 268.748 0.898 0 50 CCAA CCN1CCC[C@H]1Cn1ncc(N(C)C)cc1=O 95355698 MODMODOKSZBHSC-NSHDSACASA-N 250.346 0.794 0 50 CCAA NC(=O)N1CCC[C@@H](c2nc(-c3cccnn3)no2)C1 91486759 GLPNCOXEWBEOMH-MRVPVSSYSA-N 274.284 0.785 0 50 CCAA Cc1nc(CNC(=O)CN2CC[C@H](N(C)C)C2)cs1 252508677 XQRWZGLUFVWDCE-LBPRGKRZSA-N 282.413 0.704 0 50 CCAA C[C@@H](NC(=O)C(C)(C)N1CCOCC1)c1nncn1C 351632394 REYVIRMVSIDUAN-SNVBAGLBSA-N 281.360 0.103 0 50 CCAA CC[C@@]1(C(=O)O)CCCN(CCn2cnnc2)C1 534644788 SEOMEQRYFAZKHQ-GFCCVEGCSA-N 252.318 0.855 0 50 CCAA COc1cc(C(=O)O)cc(C(=O)N[C@@H](C)CCO)c1 534652276 ATKQFKGKHOXKIP-QMMMGPOBSA-N 267.281 0.894 0 50 CCAA Cc1ccc([C@@H](CCO)NC(=O)Cn2ccnn2)cc1 299764202 YATDFEHUCWVZMP-CYBMUJFWSA-N 274.324 0.826 0 50 CCAA CCCS(=O)(=O)Nc1ncc(C(=O)O)s1 720013743 GGMNRFLPBRHELK-UHFFFAOYSA-N 250.301 0.993 0 50 CCAA CN(C)C(=O)[C@H]1CN(Cc2nnc(C3CC3)o2)CCO1 827789415 FLBFHNYZSCUJIE-SNVBAGLBSA-N 280.328 0.236 0 50 CCAA Cc1nn(C)c(C)c1CN(C)Cc1cnc(N)nc1 584890647 ROVDFUNWWAIJIM-UHFFFAOYSA-N 260.345 1.041 0 50 CCAA CC(=O)N1CCN(C(=O)Cc2ccsc2)C[C@@H](O)C1 670445132 OTHLCYCRMASJIR-LBPRGKRZSA-N 282.365 0.342 0 50 CCAA CCn1cc(CN2CC[C@@]3(C2)CN(C)C(=O)CO3)cn1 670446944 JAJPSRLJZCZJOI-AWEZNQCLSA-N 278.356 0.336 0 50 CCAA Cc1nn[nH]c1C(=O)N1CCC(O)(CN2CCCC2)CC1 670473731 OPQQGWJGXCFXMC-UHFFFAOYSA-N 293.371 0.176 0 50 CCAA O=S(=O)(NC1CCC1)c1cnn2ncccc12 1875290612 SJICCHKGTAOQFW-UHFFFAOYSA-N 252.299 0.560 0 50 CCAA COC(=O)/C=C/CNC(=O)c1ccc2c(n1)OCCO2 1875272922 HZMWUIIYBCDGLC-NSCUHMNNSA-N 278.264 0.312 0 50 CCAA O=C(NC[C@@H]1CSCCS1)Nc1cnn[nH]1 1875269217 NLJPBVFSISRPDS-ZCFIWIBFSA-N 259.360 0.775 0 50 CCAA NC(=O)CN1CCC[C@@H](C(=O)N2C[C@H]3CC=CC[C@H]3C2)C1 952982676 BYNLBMMDWAOGPH-HZSPNIEDSA-N 291.395 0.608 0 50 CCAA CN1Cc2ccccc2C[C@H]1CN(C)S(=O)(=O)N(C)C 952981055 UBJGGZDALXVBNG-AWEZNQCLSA-N 297.424 0.781 0 50 CCAA CNC(=O)[C@@H]1CCCN1Cc1ccnc(OC)c1F 891727907 HAWSIGBCTOGAKE-JTQLQIEISA-N 267.304 0.940 0 50 CCAA NC(=O)c1cc(NC(=O)[C@@H]2CCCN[C@@H]2C2CC2)c[nH]1 1775986551 YVKDDMBLLQGMHO-ZYHUDNBSSA-N 276.340 0.830 0 50 CCAA COCC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565509169 KODLMGMCOAKPBN-KBPBESRZSA-N 295.335 0.478 0 50 CCAA Cc1nc2ccccc2nc1CN1C[C@@H](O)C[C@H]1CO 186536860 QIJJKOXXQVIYDA-RYUDHWBXSA-N 273.336 0.866 0 50 CCAA C[C@@H](c1ccccc1)N1CCO[C@@H](CN(C)CC(N)=O)C1 281996720 IMTGCYVTSQUUFW-ZFWWWQNUSA-N 291.395 0.866 0 50 CCAA Cc1nc(CN(C)S(=O)(=O)N2CCCC[C@H]2C)no1 408168289 IRJKAPLRKREZEP-SECBINFHSA-N 288.373 0.929 0 50 CCAA Cc1cc(N2CCN(CCN3CCO[C@H](C)C3)CC2)n[nH]1 192840660 YTJZHPWEDDXFOU-CQSZACIVSA-N 293.415 0.561 0 50 CCAA O=C(O)Cn1ccc(NC(=O)[C@@H]2CCc3nccn3C2)n1 663145349 QGUUKHVYFCSWSQ-SECBINFHSA-N 289.295 0.365 0 50 CCAA CCOCCc1nnc(NC(=O)[C@H](C)n2cncn2)s1 1529168175 YKHYRMAFFSKCIW-QMMMGPOBSA-N 296.356 0.908 0 50 CCAA O=C(NCc1cscn1)[C@@H]1CCc2ncnn2C1 1857721180 CVKSPDUEXMPHPR-MRVPVSSYSA-N 263.326 0.613 0 50 CCAA CC[C@]1(O)CCN(C(=O)c2cccc3ccnn23)C[C@@H]1O 216845948 DTRACDCAYJWPNG-ZFWWWQNUSA-N 289.335 0.682 0 50 CCAA CSc1nc(C)cc(N[C@H]2CCNC[C@@H]2O)n1 216974050 JAHPACSJIYPCJE-IUCAKERBSA-N 254.359 0.642 0 50 CCAA O=C1COC2(CCN(C(=O)NC3CCCCC3)CC2)N1 1615592144 VMLXROQAZAAGGO-UHFFFAOYSA-N 281.356 0.967 0 50 CCAA Cc1nsc(C(=O)NCCOC[C@H]2CCOC2)c1N 1615586291 MCHQIHWPGDWWAC-VIFPVBQESA-N 285.369 0.817 0 50 CCAA CC1(C)CO[C@@H]1COC(=O)[C@@H]1CC(=O)N(C2CC2)C1 1875293043 AJCHFOUNPZZOBJ-MWLCHTKSSA-N 267.325 0.966 0 50 CCAA CO[C@]1(CNC(=O)c2cc(C(N)=O)cs2)CCOC1 359825278 CGJPIJHSNJCUIT-LBPRGKRZSA-N 284.337 0.382 0 50 CCAA CC(C)[C@]1(CO)CCN(CC(=O)N2CCN(C)CC2)C1 368002081 ZXHSUDARVPHYKC-OAHLLOKOSA-N 283.416 0.101 0 50 CCAA COc1ccnc(CN2CCS(=O)(=O)CC2)c1 106860671 JBZVCWDSQCTXKX-UHFFFAOYSA-N 256.327 0.321 0 50 CCAA O=C1C[C@H]2CN(C(=O)CN3CCc4ccccc4C3)C[C@H]2N1 1857675952 MJFWMDQRVUODKW-LSDHHAIUSA-N 299.374 0.392 0 50 CCAA CNC(=O)[C@@H](C)NC(=O)c1cn(Cc2cccs2)nn1 355992730 MCNQDQXNIVJEHL-MRVPVSSYSA-N 293.352 0.252 0 50 CCAA Nc1ncc(C(=O)O)cc1I 34547590 FKCUPIYQJSBUPO-UHFFFAOYSA-N 264.022 0.967 0 50 CCAA in-vitro COC[C@@]1(C(N)=O)CCCN1Cc1ccc(F)cn1 818263363 FZTYDDGKFWMYQR-CYBMUJFWSA-N 267.304 0.687 0 50 CCAA C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NC[C@](C)(O)CN(C)C 240707807 HQQGTCRYFWFNNO-COMQUAJESA-N 285.432 0.677 0 50 CCAA Cc1cccc(S(=O)(=O)NC[C@@](C)(O)C(=O)O)c1F 263577258 RIQPHXMDBDQIJN-LLVKDONJSA-N 291.300 0.248 0 50 CCAA O=C(CN1CCO[C@]2(CCOC2)C1)NCc1cccs1 185210082 LLXHARAGZVRDIA-CQSZACIVSA-N 296.392 0.856 0 50 CCAA OCC1(O)CCN(CC[C@H](O)c2ccccc2)CC1 67805077 LTFONBUCWZCCJL-AWEZNQCLSA-N 265.353 0.929 0 50 CCAA Cc1[nH]c2ccc(C(=O)NC[C@@H](N)CO)cc2c1C 386695328 UBRGCZXGKQGFQN-LLVKDONJSA-N 261.325 0.834 0 50 CCAA COCCN1CCC[C@]2(CCCN2C(C)=O)C1=O 2356159380 XXXMJDAHRYKEAP-ZDUSSCGKSA-N 254.330 0.636 0 50 CCAA O=C(O)[C@H]1O[C@@H](C(=O)O)[C@@H]2[C@@H]1C(F)(F)C2(F)F 4159831 ZBYYITGKQLENSW-LLEIAEIESA-N 258.123 0.440 0 50 CCAA COCCNC(=O)CN1C(=O)c2ccccc2C1=O 4616583 KSPDXYKBYVSBCB-UHFFFAOYSA-N 262.265 0.045 0 50 CCAA COCCNC(=O)c1ccccc1NS(C)(=O)=O 6267521 GWRJLPVVLFBBPP-UHFFFAOYSA-N 272.326 0.434 0 50 CCAA O=C(NC[C@H]1CCN(C2CC2)C1)N1CCN2CCC[C@H]2C1 247372751 FHDWJOWTKBNHJS-HIFRSBDPSA-N 292.427 0.960 0 50 CCAA CCc1cnc(NC(=O)N2CC(=O)N(CCOC)C2)s1 282690406 RKSMKZWBEHRZDK-UHFFFAOYSA-N 298.368 0.986 0 50 CCAA CN(c1ccc2c(c1)nc1n2CCOC1)S(C)(=O)=O 9942627 QXQYIEKEWNACFT-UHFFFAOYSA-N 281.337 0.962 0 50 CCAA O=C(NCC1CCS(=O)(=O)CC1)c1cc(C2CC2)n[nH]1 20541440 XSMUZXLOJGZPMA-UHFFFAOYSA-N 297.380 0.842 0 50 CCAA C[C@@H]1CCCN(C(=O)CCNCCCN2CCOCC2)C1 65393895 ZHROTJYSDKPBIB-OAHLLOKOSA-N 297.443 0.947 0 50 CCAA C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(C)C(=O)C1 119326911 OVPYJEMGKQKEMI-VIFPVBQESA-N 296.758 0.836 0 50 CCAA Cc1nnc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)s1 20427204 VAPZZJJGAHMFGS-HTQZYQBOSA-N 270.358 0.894 0 50 CCAA Cc1cnn(CC(=O)N2CCO[C@@]3(CCOC3)C2)c1 329934170 BWESPSATAONHHC-ZDUSSCGKSA-N 265.313 0.209 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)C(=O)Nc1ccccc1 219354023 SZAYLEMDVJNHKU-STQMWFEESA-N 291.351 0.460 0 50 CCAA O=S(=O)(NC1CNC1)c1cnn(-c2ccccc2F)c1 237898774 HFFOEJRZQOONMM-UHFFFAOYSA-N 296.327 0.262 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CCc2cscn2)CCO1 262931532 GJCZIOKBCCYNPB-VIFPVBQESA-N 270.310 0.388 0 50 CCAA CS(=O)(=O)C[C@@H]1CCCN(Cc2ncc[nH]2)C1 216412800 MTUILBNDOPYEMW-SNVBAGLBSA-N 257.359 0.666 0 50 CCAA COC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 43220621 WYFPECMSBUVNET-UHFFFAOYSA-N 259.302 0.921 0 50 CCAA COc1nccnc1N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C 220101098 DMWFFXNFJFMMMP-LMLFDSFASA-N 264.329 0.615 0 50 CCAA Cc1ccnc(CC(=O)N(CCN(C)C)CC(=O)O)c1 426612354 IOKFLUCMQUDMFO-UHFFFAOYSA-N 279.340 0.407 0 50 CCAA O=C(Cn1ccnn1)N1CCCN(C2CCCC2)CC1 426548496 KFTYUBDXHCXICL-UHFFFAOYSA-N 277.372 0.755 0 50 CCAA O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@@]2(CO)O1 239338702 KZLYJYOGHUSRFA-ZAZJYDDPSA-N 271.272 0.492 0 50 CCAA Cc1noc(CN2CCN(C(=O)[C@@H]3CC[C@H](N)C3)CC2)n1 237689119 NRSYMXGGPDSQGD-NEPJUHHUSA-N 293.371 0.150 0 50 CCAA Cc1ncnc(N2CCN(CCn3cncn3)CC2)c1C 92080757 MSRDYHCVRNGESK-UHFFFAOYSA-N 287.371 0.507 0 50 CCAA CN(Cc1cnn(CCC(=O)O)c1)Cc1cnccn1 97797283 MVYFJGIMMLQTNN-UHFFFAOYSA-N 275.312 0.780 0 50 CCAA OCCn1nc(-c2ccco2)nc1C[C@@H]1CNCCO1 97784722 MCMKXEMAAMAENR-SNVBAGLBSA-N 278.312 0.061 0 50 CCAA Cc1nn(C)cc1C(=O)N1CCN(C)C2(CCNCC2)C1 97259279 RAFVETOANYAQLQ-UHFFFAOYSA-N 291.399 0.238 0 50 CCAA CC(C)Cc1cc(C(=O)NCCc2nnn[nH]2)[nH]n1 244899450 ZKDPBEAJCVUJOQ-UHFFFAOYSA-N 263.305 0.094 0 50 CCAA Cc1cc(=O)n(CCN2CCCO[C@H](C)C2)c(O)n1 253536753 NFNRPFNNDDPDGV-LLVKDONJSA-N 267.329 0.368 0 50 CCAA COc1ccc(CCCN(C)C(=O)[C@@H]2C[C@@H](O)CN2)cc1 299753786 ZIPIPTNUPLBRFH-HIFRSBDPSA-N 292.379 0.809 0 50 CCAA CC(C)(C)OC(=O)N1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@H]2N 601012591 QMVRDHPPSUKTIG-NXRLNHOXSA-N 254.286 0.247 0 50 CCAA O=C(O)CNS(=O)(=O)c1ccc(OCC(F)F)cc1 262459703 SAUHJAWHCOMNJZ-UHFFFAOYSA-N 295.263 0.693 0 50 CCAA Cn1cc(CCC(=O)NCc2cccnc2N)cn1 534673601 LZYRTIYLXDIMKY-UHFFFAOYSA-N 259.313 0.646 0 50 CCAA Cc1cc(C)n(CC(=O)NC2(CO)CCCCC2)c(=O)n1 534645365 CATODUBFJUXKLO-UHFFFAOYSA-N 293.367 0.672 0 50 CCAA CC(=O)NCC(=O)Nc1ccc(C(=O)NC(C)C)cc1 298852829 IWFUBLGYSQUULX-UHFFFAOYSA-N 277.324 0.899 0 50 CCAA CCOCC(=O)N1CCc2c(c(CO)nn2CC)C1 299800402 VHKWQJDZBSDQAF-UHFFFAOYSA-N 267.329 0.317 0 50 CCAA C[C@H](Cn1cccn1)C(=O)NCCc1csc(N)n1 827628038 LXRFRKQHMJQBFV-SECBINFHSA-N 279.369 0.917 0 50 CCAA COC[C@H](c1ccnn1C)n1cnc2cccnc2c1=O 584894138 VJZNUFALCNUGJN-GFCCVEGCSA-N 285.307 0.761 0 50 CCAA CCN1CCC[C@@H]1CNC(=O)CCCN1CCCC1=O 823113185 JXSOMEWNCZVVII-CYBMUJFWSA-N 281.400 0.990 0 50 CCAA O=C(NCCc1ccc2c(c1)OCO2)N1CC[C@@H](O)C1 584891728 WQRZYQKNYNPSOD-LLVKDONJSA-N 278.308 0.734 0 50 CCAA Cc1nn(CCO)c(C)c1CN(C)Cc1nncn1C 670462204 ABSFVSUGMSTWGN-UHFFFAOYSA-N 278.360 0.253 0 50 CCAA CNC(=O)[C@@]12CCOC[C@@H]1CN(c1nccc(OC)n1)C2 952852372 FCKJKVZDRIXUTP-IINYFYTJSA-N 292.339 0.074 0 50 CCAA C[C@H](CC(=O)O)NC(=O)c1cc2c(s1)CNCC2 1875280048 RIRNGJAQBVHNCM-SSDOTTSWSA-N 268.338 0.987 0 50 CCAA Cn1ncnc1C1(O)CN(c2cc(O)nc3ncccc23)C1 1875294127 BHIXMILJFJNXQY-UHFFFAOYSA-N 298.306 0.172 0 50 CCAA Cc1nc(C(=O)NCCc2c[nH]c3ncccc23)n(C)n1 1875282876 WPHVVAHLRBYUFJ-UHFFFAOYSA-N 284.323 0.972 0 50 CCAA CNC(=O)c1ccc(NC(=O)CCn2cnnc2)c(C)c1 952977663 RASGSYQZFHAHDH-UHFFFAOYSA-N 287.323 0.975 0 50 CCAA Cn1ccnc1CNC(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 886074771 WCMOKANNRWGTNU-YPMHNXCESA-N 289.339 0.927 0 50 CCAA O=S(=O)(N[C@H]1CCOC[C@@H]1OCC1CC1)C1CC1 1565507955 QCSIQEISUPXPMS-RYUDHWBXSA-N 275.370 0.652 0 50 CCAA CCOC(C)(C)C(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1565526114 RCMYJPFERDEYCO-UWVGGRQHSA-N 254.330 0.738 0 50 CCAA C[C@H]1CN2CCCC[C@@H]2CN1C(=O)CCc1cn(C)nn1 668867096 WJSWUTHHICSAPB-GXTWGEPZSA-N 291.399 0.833 0 50 CCAA COCc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2)cc1 276700009 WTXGVMGOXKNGIV-CHWSQXEVSA-N 264.325 0.172 0 50 CCAA CCOc1cc(C(=O)N(C)[C@H]2CCCN(C)C2)[nH]n1 1587193526 BTCGNLWDAANSDR-JTQLQIEISA-N 266.345 0.975 0 50 CCAA COCCn1ccc(NC(=O)[C@H]2CCCOC2)n1 170801094 RPYRIEPHSNMSPH-JTQLQIEISA-N 253.302 0.895 0 50 CCAA Cc1noc(CCCC(=O)N2CCN[C@H](C)C2)n1 188473594 PMMAQCNXEPIKSZ-SECBINFHSA-N 252.318 0.521 0 50 CCAA O=C(O)C[C@@H]1CN(Cc2ncc[nH]2)C[C@@H]1c1cnn[nH]1 1076072051 KFUPQRBWCWGLDL-BDAKNGLRSA-N 276.300 0.218 0 50 CCAA C[C@]1(C(=O)NCC2(CO)CCCC2)CCC(=O)NC1 407956119 IPJSODRQDQBSCR-ZDUSSCGKSA-N 268.357 0.572 0 50 CCAA Cc1cnccc1CCNC(=O)c1ccc2c(c1)B(O)OC2 584966942 MUCOCDDXDFYCQN-UHFFFAOYSA-N 296.135 0.580 0 50 CCAA CNC(=O)NC(=O)COC(=O)[C@H](O)[C@@H](C)c1ccccc1 584907047 QLLZTHQFFHQRMB-JOYOIKCWSA-N 294.307 0.150 0 50 CCAA CCn1nccc1C(=O)N1CCC(c2nc(O)n[nH]2)CC1 648887999 JSLYABKTMMYUBU-UHFFFAOYSA-N 290.327 0.747 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)C2(NC3CC3)CCC2)[C@H]1OC 662808424 KVLMBWHYTJIKCQ-YNEHKIRRSA-N 282.384 0.970 0 50 CCAA Cc1nncn1CCN1CCN(C(=O)c2ccco2)CC1 1506422815 RITSZLYLLQEEEJ-UHFFFAOYSA-N 289.339 0.638 0 50 CCAA CCC[C@]1(CO)CN(c2ncnc3n[nH]cc23)CC[C@@H]1O 1529144345 YIQCMZTYAXMISX-SMDDNHRTSA-N 291.355 0.703 0 50 CCAA COCCOC1CN(S(=O)(=O)c2cccnc2)C1 331946992 JZYWYDRXIFHMNF-UHFFFAOYSA-N 272.326 0.118 0 50 CCAA Cn1cc(CNC(=O)[C@@H]2NCCOc3ccccc32)nn1 1615555203 ZGIYIZRLLVHZIW-CYBMUJFWSA-N 287.323 0.155 0 50 CCAA COC1(C(=O)N2C[C@H](C)O[C@@H](C)C2)CCNCC1 163359205 GTDSVNYOFRPAOU-QWRGUYRKSA-N 256.346 0.391 0 50 CCAA O=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCC(O)CC1 12713499 AAIYATMCXJYFBC-MRXNPFEDSA-N 296.411 0.597 0 50 CCAA COCCc1noc(CN(C)C(=O)c2ncoc2C)n1 152490742 MGGKUCRTXAJRKD-UHFFFAOYSA-N 280.284 0.827 0 50 CCAA Cc1nn2cccnc2c1C(=O)N1CC[C@](C)(C(=O)O)C1 237626289 VZNCEIRTFWMIIM-AWEZNQCLSA-N 288.307 0.975 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)s1 223555228 OIZWTDLCVGNNAU-RKDXNWHRSA-N 277.367 0.485 0 50 CCAA CNC[C@@H](C)CNS(=O)(=O)C[C@@H]1CCCCO1 178955170 BWBZPHLOZNOYDS-MNOVXSKESA-N 264.391 0.330 0 50 CCAA O=C(O)[C@H]1CCCCN1C(=O)[C@@H]1CCc2nccn2C1 655540314 YWUFAEIFBRPGFA-GHMZBOCLSA-N 277.324 0.911 0 50 CCAA C[C@@H](CNc1ccc(C(F)(F)F)cn1)S(N)(=O)=O 346256137 FFEIABSLXAZNPJ-LURJTMIESA-N 283.275 1.189 0 50 CCAA O=S(=O)(NC1Cc2cscc2C1)c1cnc[nH]1 2325789082 KYNWYMWUOXDWTI-UHFFFAOYSA-N 269.351 0.917 0 50 CCAA CN(C(=O)c1ccc(F)c2c1OCC2)[C@@H]1COC[C@H]1O 2325811700 XVZSKTWJCYVJQB-VXGBXAGGSA-N 281.283 0.592 0 50 CCAA O=C(COc1ccc2c(c1)OCO2)N1CCOCC1 4503055 ZLQOHQLIGXHEQO-UHFFFAOYSA-N 265.265 0.653 0 50 CCAA O=S1(=O)CC[C@H](NNC(=S)Nc2ccccc2)C1 4982155 NVLHNWCIVAAJAV-JTQLQIEISA-N 285.394 0.665 0 50 CCAA COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O 26898608 HBWUTYLVFYVXML-MRVPVSSYSA-N 257.286 0.986 0 50 CCAA CC1(C(=O)NS(=O)(=O)C[C@H]2CCCCO2)CC1 119139180 LDCGEQDMBSXBGX-SECBINFHSA-N 261.343 0.802 0 50 CCAA CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3)n(C)c1=O 10386969 BCJMJMBTQKYTHJ-MRVPVSSYSA-N 290.327 0.669 0 50 CCAA O=C1CN(CC(=O)N2CCc3sccc3C2)C(=O)N1 20572712 RHZVUEQJUOILDQ-UHFFFAOYSA-N 279.321 0.185 0 50 CCAA CN1[C@H]2CC[C@@H]1CN(c1nc(C(N)=O)cs1)CC2 67843097 FPFBOASMLFIJPQ-DTWKUNHWSA-N 266.370 0.915 0 50 CCAA NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccco2)O1 229948257 LJJGZVNOUBUYOS-KLBPJQLPSA-N 278.308 0.532 0 50 CCAA CCc1cc(N2C[C@H](C)O[C@@H](CO)C2)nc(C)n1 230007694 LKERERULCXLPGG-JOYOIKCWSA-N 251.330 0.933 0 50 CCAA Cc1cc(=O)c(C(=O)NC(C)(C)CO)cn1C1CC1 283470112 PDWDQEUVRGGGQB-UHFFFAOYSA-N 264.325 0.992 0 50 CCAA CCn1[nH]c(=NC(=O)[C@@H]2C[C@H](OC)CN2C)cc1C1CC1 329028306 OUYRXXBZYRGXCU-AAEUAGOBSA-N 292.383 0.860 0 50 CCAA CCc1nnc2ccc(N3C[C@H](F)C[C@H]3C(N)=O)nn12 284500486 HDUKUFDOYQFBOU-SFYZADRCSA-N 278.291 0.089 0 50 CCAA CC(=O)c1cc(CN2CCN(C)[C@H](CO)C2)n(C)c1 214979210 TZOCNCKIAODLJW-AWEZNQCLSA-N 265.357 0.336 0 50 CCAA C=CC(=O)NCCC(=O)NC(C)(C)c1nc(C)no1 490702272 AJUFHMHXEDRHSY-UHFFFAOYSA-N 266.301 0.422 0 50 CCAA CC(C)Oc1ccc(C(=O)N2CCOC[C@@H]2C(=O)O)cn1 262437675 FSKXOZXRMSOZFH-LLVKDONJSA-N 294.307 0.794 0 50 CCAA Cc1noc(CCCC(=O)N2C[C@@H](O)C3(CC3)C2)n1 375297945 QJBZGRKWTCFKNS-SNVBAGLBSA-N 265.313 0.684 0 50 CCAA C/C(=C\C(=O)NC[C@H](O)CN1CCOCC1)C(C)(C)C 132343339 OBRNAPYFCFZCBW-SRXBQZRASA-N 284.400 0.788 0 50 CCAA CCOc1cc(S(=O)(=O)NCCO)c(C)cc1C 41096103 VSWZACSHWDAEKB-UHFFFAOYSA-N 273.354 0.973 0 50 CCAA N[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)NCCCc1ccccn1 220494398 FTUZWOGPUGTZDZ-RQJABVFESA-N 273.336 0.411 0 50 CCAA COCC[C@@H]1COCCN1c1nccn2cnnc12 292350289 OFCYWTLNEBAIQU-SNVBAGLBSA-N 263.301 0.366 0 50 CCAA Cc1cccc2ncc(C(=O)NCc3ccon3)c(=O)n12 97772795 CLADQAPGZUMXEQ-UHFFFAOYSA-N 284.275 0.921 0 50 CCAA CC(C)c1nc(CNC(=O)NC[C@@]2(O)CCCNC2)no1 426361138 CFAJHWRNKRRKNS-CYBMUJFWSA-N 297.359 0.107 0 50 CCAA COCC[C@]1(CO)CCCN(CCN2CCCC2=O)C1 91691260 WDILKEGVAGJQCM-OAHLLOKOSA-N 284.400 0.720 0 50 CCAA CCc1nnc(CNC(=O)[C@@H](C)Cn2cncn2)s1 240499940 NPGKFLRNTVDRKH-QMMMGPOBSA-N 280.357 0.645 0 50 CCAA CO[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1c1cnn[nH]1 622169479 NSUXUFXXQQJOIT-CMPLNLGQSA-N 275.312 0.696 0 50 CCAA O=C(CCCN1CCCC1)NCCn1cncn1 244852543 UUHQSTIEBLMHIX-UHFFFAOYSA-N 251.334 0.270 0 50 CCAA Cc1nc(C)c(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)nc1C 299745539 QYWQNWVSVTZEFU-ZJUUUORDSA-N 280.303 0.440 0 50 CCAA CCCn1ncnc1[C@H](C)NS(=O)(=O)c1cn[nH]c1 534587253 VAVXWKKTWLFJES-QMMMGPOBSA-N 284.345 0.451 0 50 CCAA CCN1CCC(CNC(=O)c2cncnc2)(N(C)C)CC1 534649986 VEGCUIFMIORDNP-UHFFFAOYSA-N 291.399 0.623 0 50 CCAA Cc1nonc1CNC(=O)c1cnc2cnn(C)c2c1 1940195537 WGJJVILOOJOXEJ-UHFFFAOYSA-N 272.268 0.590 0 50 CCAA CCCN1C[C@H](C(=O)NCCn2ccnn2)CCC1=O 299786365 LETMBWGXECHJBE-LLVKDONJSA-N 279.344 0.043 0 50 CCAA CC(=O)NCCC(=O)Nc1ccc(Oc2nn[nH]n2)cc1 828054163 ITAONDOPRSRISA-UHFFFAOYSA-N 290.283 0.457 0 50 CCAA C1CN(CCN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)CCO1 827603730 GUPVHVSIDIZFTM-KPWCQOOUSA-N 251.374 0.001 0 50 CCAA C[C@H](CN1CCOCC1)n1cnc2cnccc2c1=O 584888552 UWOFPDUKOOBOQP-LLVKDONJSA-N 274.324 0.685 0 50 CCAA OC1(CN2CCCC2)CCN(Cc2cc[nH]n2)CC1 670450286 CVLCHGSPLSKMEU-UHFFFAOYSA-N 264.373 0.832 0 50 CCAA O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cncc(F)c1 685941699 GICIBAHMZNEZDQ-NWDGAFQWSA-N 292.270 0.520 0 50 CCAA O=S(=O)(NC1CCC1)N1CCc2cccnc21 1875290697 XUQLTMUSDOGNLH-UHFFFAOYSA-N 253.327 0.831 0 50 CCAA O=C(NCCCn1ccnc1)c1nc(=NC2CC2)cc[nH]1 1875293844 FCQCNLCIBJWRAF-UHFFFAOYSA-N 286.339 0.489 0 50 CCAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1cc[nH]c1 1875402720 LJIBRSLHEASBAX-CYZMBNFOSA-N 274.324 0.781 0 50 CCAA C[C@H](CN(C)CCO)NCc1cn2c(n1)SCC2 952980155 YFUIGDZWPRTRPA-SNVBAGLBSA-N 270.402 0.391 0 50 CCAA NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 16527358 SPURIIKBXLZZSZ-JTQLQIEISA-N 284.337 0.243 0 50 CCAA CC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)no2)C1 222039420 BTGGKKUTPPMOFZ-CMPLNLGQSA-N 294.355 0.911 0 50 CCAA C[C@H]1CN(Cc2ccc(=N)[nH]c2)CCN1C[C@@H](C)O 647515836 TWPHQRLFXZLJKI-NWDGAFQWSA-N 264.373 0.381 0 50 CCAA O=C(O)CN(CC1CC1)C1CC(NC(=O)c2cc[nH]n2)C1 564034794 OGRGINVXVONFMM-UHFFFAOYSA-N 292.339 0.467 0 50 CCAA CC(C)(C)n1cnc(C(=O)N2CCC[C@H](C(=O)O)C2)n1 564453065 AXWZVRRWILHHRB-VIFPVBQESA-N 280.328 0.970 0 50 CCAA C[C@H](C(=O)N[C@H](Cc1ccncc1)C(=O)O)n1cccn1 655600556 JIXBNCSCJOYPLL-ZYHUDNBSSA-N 288.307 0.651 0 50 CCAA CN(C)C[C@]1(O)CCN(c2cc(C3CC3)ncn2)C1 95359393 CORKWKOQYDXOME-CQSZACIVSA-N 262.357 0.857 0 50 CCAA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1ncc[nH]1 583651261 HZJLLJRJGXCONZ-ZETCQYMHSA-N 284.341 0.924 0 50 CCAA CCc1nccn1C[C@@H](C)NCC(=O)NC1CC1 1506428920 QUGQYZIQZFPLLR-SNVBAGLBSA-N 250.346 0.702 0 50 CCAA NC(=O)c1ccnc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)c1 1506423286 VLRURMRQHOSSIP-STQMWFEESA-N 290.367 0.216 0 50 CCAA O=C(NCc1cscn1)[C@H]1CCc2ncnn2C1 1857721181 CVKSPDUEXMPHPR-QMMMGPOBSA-N 263.326 0.613 0 50 CCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cnc(C)[nH]1 344664416 NQKFASQRDIVIMY-VHSXEESVSA-N 253.302 0.594 0 50 CCAA O=S1(=O)CC[C@]2(c3nc(C4CC4)no3)CCCN21 1875305578 FPZDVWHGDFJZQD-NSHDSACASA-N 269.326 0.972 0 50 CCAA COCCN1CCN(C(=O)[C@]2(C)C[C@@H](N)CCO2)C[C@H]1C 1616036276 IDUZESMPGOHUCI-IPYPFGDCSA-N 299.415 0.062 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H](C)N1 154256089 BGRDQLKAVIQTRQ-UWVGGRQHSA-N 263.345 0.365 0 50 CCAA O=C(NCCCN1CCOCC1)C(=O)NC1CCCCC1 19831221 YZLIITZMZBLZFH-UHFFFAOYSA-N 297.399 0.274 0 50 CCAA CN(C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2)c1 164418880 LJGMMTLBUWEQHV-KGLIPLIRSA-N 277.368 0.087 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)Cn2cccn2)CC[C@H]1O 1857717370 MWHPKEUQSVQXFT-OCCSQVGLSA-N 281.356 0.255 0 50 CCAA Cc1c(Cl)cccc1C(=O)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875239934 AIPCEOKFBTZOQN-UMSGYPCISA-N 297.738 0.905 0 50 CCAA Cc1ccccc1CC(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875247842 QMRMDUCFGLNOQS-QHSBEEBCSA-N 277.320 0.181 0 50 CCAA CC1CCC(NC(=O)[C@@H](C)N2C[C@H](O)[C@H](O)C2)CC1 408442486 LOAPEUQGLNUJBR-AQUBRYCOSA-N 270.373 0.107 0 50 CCAA COc1ccccc1N1CC[C@H](n2cc(CO)nn2)C1=O 641111742 FZXJNHSURDZGFJ-LBPRGKRZSA-N 288.307 0.757 0 50 CCAA Cn1nnc2cc(C(=O)N(CC(=O)O)C3CC3)ccc21 237829296 BFKXWCCZGIZSDZ-UHFFFAOYSA-N 274.280 0.658 0 50 CCAA CC(C)[C@H](C(=O)N[C@@H](C)C(=O)O)N1C[C@@H](C)O[C@H](C)C1 262733203 BDWVNDDAEYZHIH-WISYIIOYSA-N 286.372 0.710 0 50 CCAA Cc1cc(C)n(CC(=O)N(CC(=O)O)C2CCC2)c(=O)n1 910083007 GZXFHBDXLCEYJF-UHFFFAOYSA-N 293.323 0.326 0 50 CCAA Cc1noc(Cn2cnc3c(cnn3C3CC3)c2=O)n1 919331587 RGCVJWUAMQPBKN-UHFFFAOYSA-N 272.268 0.668 0 50 CCAA CON1CC[C@@H](N2C[C@@H]3CCC[C@]3(CO)C2)C1=O 931260996 JVFVISQMDUQIBP-DMDPSCGWSA-N 254.330 0.243 0 50 CCAA CN1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 16577171 UCYIGPWYNGCFOG-UHFFFAOYSA-N 272.345 0.903 0 50 CCAA COC[C@@](C)(CC(=O)O)NC(=O)c1cccnc1 237199635 DLVVEJSIVYGPHW-GFCCVEGCSA-N 252.270 0.691 0 50 CCAA CCC[C@@H](CNC(=O)c1ccc2nncn2c1)C(=O)O 263135939 HUVGOSHRQOBPAG-VIFPVBQESA-N 276.296 0.960 0 50 CCAA NCCOc1cccc(C(=O)NCCc2cc[nH]n2)c1 426649609 JVMOYFSNDWJUCI-UHFFFAOYSA-N 274.324 0.720 0 50 CCAA Cn1nnnc1CN1CCO[C@@H](C2CCCCC2)C1 368833873 LJGHLZFIKUCPEG-GFCCVEGCSA-N 265.361 0.991 0 50 CCAA Cc1nccn1[C@H](C)C(=O)NCc1csc(N)n1 584896423 VLVZBSHRRZJRNP-SSDOTTSWSA-N 265.342 1.108 0 50 CCAA O=C(O)CNC(=O)NCc1ccc2nsnc2c1 952860833 UBPLDIRHGQXUBA-UHFFFAOYSA-N 266.282 0.575 0 50 CCAA CCN1CCN(C(=O)[C@H]2CCC(=O)N(CC)C2)[C@@H](C)C1 2325754185 LBXMBQGSJDDQBU-STQMWFEESA-N 281.400 0.798 0 50 CCAA N[C@@H]1CN(CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1N 2325805222 ZCFSCZPNYIZQEW-ZIAGYGMSSA-N 274.368 0.084 0 50 CCAA O=C(c1coc(C(F)F)n1)N1CC(c2nc(=O)o[nH]2)C1 2325826541 FHQOTBUGJIBGCB-UHFFFAOYSA-N 286.194 0.528 0 50 CCAA Cc1ccc(C(N)=O)cc1S(=O)(=O)N1CCOCC1 437802 GSFPEBCSXUNKOE-UHFFFAOYSA-N 284.337 0.115 0 50 CCAA COCCn1cnnc1CCN=c1nc(C)c(C)c(C)[nH]1 2356158053 WMGQQSREUBUGBH-UHFFFAOYSA-N 290.371 0.716 0 50 CCAA O=C(NCCc1nccs1)[C@@H]1CC(=O)N(C2CC2)C1 50451847 QFKHPDJIGVAQQH-SECBINFHSA-N 279.365 0.813 0 50 CCAA Cn1cc(I)c2c(=O)[nH]cnc21 145910982 IUMYEYMXTBEQRK-UHFFFAOYSA-N 275.049 0.866 0 50 CCAA C[C@H]1C[C@H](NS(=O)(=O)c2cccnc2)CN1C1CC1 126202562 NAMRRCDMOSLVKT-QWRGUYRKSA-N 281.381 0.985 0 50 CCAA Cc1cccn2c(=O)cc(CN3C[C@@H](F)C[C@H]3CO)nc12 331903204 ACEBOQAJXKSUTL-AAEUAGOBSA-N 291.326 0.908 0 50 CCAA O=C(c1cc(=O)c2ccccc2[nH]1)N1CC(O)(C(F)F)C1 425014402 ZUHCBXMMDSNZDS-UHFFFAOYSA-N 294.257 0.980 0 50 CCAA C[C@@H](NC(=O)c1cnc(Cl)cn1)[C@@H](C)C(=O)O 230070027 HCOMGZIOYMVGNO-PHDIDXHHSA-N 257.677 0.969 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@]2(C(=O)O)C1 307656437 QLRBCEKKWVQZGG-UFBFGSQYSA-N 256.302 0.528 0 50 CCAA COCCCn1nccc1CN1CCOC[C@]12CCOC2 367126897 PIXWIKPLZCOJQF-OAHLLOKOSA-N 295.383 0.911 0 50 CCAA CCCc1cc(C(=O)NCCN(C)S(C)(=O)=O)ccn1 65501466 HYLRSBHOLHZJSJ-UHFFFAOYSA-N 299.396 0.655 0 50 CCAA CCN1C(=O)[C@@H]2CN(c3cc(C)nc(C)n3)CCN2C1=O 364866730 AMNFDBJYJLLZAT-NSHDSACASA-N 289.339 0.566 0 50 CCAA O=C(O)[C@H]1CN(C(=O)C[C@H](O)c2cccc(F)c2)CCO1 262123268 PRFNDFZFYULTKG-NWDGAFQWSA-N 297.282 0.561 0 50 CCAA CC(C)(C(=O)N1CC(n2ccnn2)C1)S(=O)(=O)C1CC1 328846033 XMMZWCDCXPKWAR-UHFFFAOYSA-N 298.368 0.017 0 50 CCAA CC[C@H]1C[C@@H](NC(=O)c2cnc(C(=O)O)cn2)CCO1 263224193 PQSAHPCSWQNHBU-IUCAKERBSA-N 279.296 0.862 0 50 CCAA CNC(=O)c1cccnc1N1C[C@H](C)N(C)[C@H](C)C1 338796462 SKVPDEPNFYJQDT-PHIMTYICSA-N 262.357 0.970 0 50 CCAA C[C@H]1CN(c2ccnc3c2cnn3C)CC(=O)N1C 286504149 QNXKUOFBXFOROZ-VIFPVBQESA-N 259.313 0.635 0 50 CCAA CCS(=O)(=O)NCCCNc1ccc(F)cn1 225818728 BAAIUFFVOFMPNJ-UHFFFAOYSA-N 261.322 0.962 0 50 CCAA Cc1nc(CNC(=O)CN(C)C(N)=O)nc2c1CCCC2 426666972 JSVCJGGDCFWTTG-UHFFFAOYSA-N 291.355 0.291 0 50 CCAA O=C(Cn1c(=O)[nH]c2ccccc21)NCC[C@H]1CCNC1 178958524 PIZJHGWOOFWLLW-LLVKDONJSA-N 288.351 0.445 0 50 CCAA Cc1cc(C)nc(CNC(=O)N2CC[C@H]3CNC[C@H]32)n1 426383709 BPNXYFASWJPCFX-NWDGAFQWSA-N 275.356 0.597 0 50 CCAA OCCNc1nc([C@H]2CCOC2)cc(N2CCCC2)n1 426584634 GMSNGJGMFARKCH-NSHDSACASA-N 278.356 0.985 0 50 CCAA O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](O)C[C@@H]12 144730206 NKMYDIXLLZQYJO-HONMWMINSA-N 299.330 0.171 0 50 CCAA Cc1noc2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c12 95362062 FJDHSVICEPXXFE-QMMMGPOBSA-N 282.325 0.773 0 50 CCAA NC(=O)C1(NC(=O)c2cn3ccsc3n2)CCCC1 91906578 LMNLQUKCVASJOV-UHFFFAOYSA-N 278.337 0.924 0 50 CCAA CCc1cc(NCc2nncn2CCOC)ncn1 95367209 UCKHXFNWRBOPSD-UHFFFAOYSA-N 262.317 0.889 0 50 CCAA NC(=O)CCN1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95507071 ALRXIQSVMHHKGB-IUODEOHRSA-N 276.336 0.332 0 50 CCAA O=C(O)COc1ccc(CN2CCO[C@@H](CCO)C2)cc1 97815458 WHJRGIJDGFJYSI-AWEZNQCLSA-N 295.335 0.733 0 50 CCAA CCn1cnnc1CCn1cc([C@@H]2CCCNC2)nn1 95367770 HSVCTWASUFHSOG-LLVKDONJSA-N 275.360 0.599 0 50 CCAA COC1=C[C@@]23[C@H]4[C@H]5[C@H]6[C@H]5[C@H]2n2c(=O)n(C)c(=O)n2[C@@H]6[C@@]43C=C1 248022229 IDJQKWWEOAOOGI-HDXXDCQVSA-N 297.314 0.036 0 50 CCAA O=C1[C@H](NC(=O)C2(O)CCC2)CN1c1ccccc1 253431437 RUWCYBDRWURRSR-LLVKDONJSA-N 260.293 0.433 0 50 CCAA CC(C)C[C@H](C(=O)O)N1CCS(=O)(=O)[C@@H](C)C1 629484609 LEIBNIKUDAYZCM-VHSXEESVSA-N 263.359 0.605 0 50 CCAA CSc1nc(N)cc(N2CCN3C(=O)OC[C@H]3C2)n1 1506409544 RLVRNWWIJZLCBR-SSDOTTSWSA-N 281.341 0.422 0 50 CCAA Cc1nc([C@H](C)NC(=O)c2cn3cccnc3n2)n[nH]1 561384234 WHQZUTXWOLSLRN-ZETCQYMHSA-N 271.284 0.647 0 50 CCAA CCOc1ccnc(N2CCN(C)[C@@H](CCO)C2)n1 828747393 XSIUDWOMCGBRGN-NSHDSACASA-N 266.345 0.378 0 50 CCAA CCO[C@H]1COC[C@@H]1N=c1nc(N)[nH]c(C)c1Cl 584898872 OUUSKNXQLYVAQM-YUMQZZPRSA-N 272.736 0.658 0 50 CCAA CSCCC(=O)NCCCN1CCC[C@H](CO)C1 584895704 YHDHZRYDUFRTDI-LBPRGKRZSA-N 274.430 0.950 0 50 CCAA Cc1nncn1CCN1CCN(C(=O)C2CCC2)CC1 670468747 FWHCZUUEDFPMHK-UHFFFAOYSA-N 277.372 0.531 0 50 CCAA CCc1nc(C)c(CC(=O)N2CCC[C@@H](O)CC2)c(O)n1 584885296 VJRCFBAMQWNRIQ-LLVKDONJSA-N 293.367 0.969 0 50 CCAA O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1875291946 QYOXECQYGDTAKN-VNUHZKFNSA-N 279.336 0.982 0 50 CCAA CN(C)C(=O)CNC(=O)[C@H]1CC[C@@](C)(C(=O)O)C1(C)C 1875340609 KGJSNPPOXNQILO-OTYXRUKQSA-N 284.356 0.718 0 50 CCAA Cn1c(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc2ccccc21 1866034082 DJGNAKACPUUTLI-VIFPVBQESA-N 290.275 0.836 0 50 CCAA COC(=O)CCS(=O)(=O)NC(=O)[C@@H]1C[C@H]1C(C)(C)C 870356222 HXPCHCXOLLDHFU-RKDXNWHRSA-N 291.369 0.678 0 50 CCAA C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cc(O)n[nH]2)C1 1875392712 PLYFFPNRGPJAPF-ZETCQYMHSA-N 261.285 0.673 0 50 CCAA O=C1C[C@@H](CNC(=O)c2cc(O)nc(C3CC3)n2)CCN1 1875332704 FXWJLDAKPVCWGM-QMMMGPOBSA-N 290.323 0.316 0 50 CCAA CCc1csc(CNC(=O)N[C@H](C)C(=O)O)n1 952986460 HVYUJOFOCBBQHG-ZCFIWIBFSA-N 257.315 0.978 0 50 CCAA COCCS(=O)(=O)NCc1ccc(-c2nc[nH]n2)cc1 1775999120 QHEWOBPGEOEBFC-UHFFFAOYSA-N 296.352 0.538 0 50 CCAA Cn1cc(S(=O)(=O)NC(=O)C2CC2)c(C(F)(F)F)n1 408192764 PCAPPXQPWMAHSC-UHFFFAOYSA-N 297.258 0.654 0 50 CCAA CC[C@@H](C(=O)O)N1CCN(CCc2cnccn2)CC1 635022285 VXVWWJXWANTXHI-ZDUSSCGKSA-N 278.356 0.500 0 50 CCAA COc1ccnc(N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)n1 225517773 XMZSJZVQNWSJOF-RYUDHWBXSA-N 289.339 0.431 0 50 CCAA O[C@@H]1CCN([C@H]2CCC[C@H]2NCc2nnnn2C2CC2)C1 643964077 ZRDPYPJXLWUBLL-UPJWGTAASA-N 292.387 0.085 0 50 CCAA C[C@H]1CCS(=O)(=O)CCN1Cc1ccc(C(N)=O)cc1 192058234 WACHOPDJSGGGLC-NSHDSACASA-N 296.392 0.795 0 50 CCAA CN(CCN1CCCCC1)c1nccn(C)c1=O 585090515 ZZGVNWFUHAHIJB-UHFFFAOYSA-N 250.346 0.702 0 50 CCAA Cc1noc(NC(=O)[C@@H](N)CO)c1-c1ccccc1 1529111453 YSSGGXOHHOGZLC-JTQLQIEISA-N 261.281 0.908 0 50 CCAA O=C1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)N1 22023146 UGWACYOHACFGOY-AWEZNQCLSA-N 287.363 0.609 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)c1cc(C(C)C)nn1C 1614564453 XSSYGMKIARTHCZ-ZYHUDNBSSA-N 266.345 0.260 0 50 CCAA O=C(O)CN(C(=O)CCCn1cncn1)C1CCC1 1615054501 DOEMHCPGSREYBA-UHFFFAOYSA-N 266.301 0.524 0 50 CCAA COc1cccc2c1CC[C@@]2(N)C(=O)N1CCN(C)CC1 1615615854 SIVGYYRKIJDETK-INIZCTEOSA-N 289.379 0.569 0 50 CCAA CN(CCn1cnc2ccccc21)C(=O)C1=NNC(=O)CC1 1857668636 WKDFEGZZWAOXRK-UHFFFAOYSA-N 299.334 0.761 0 50 CCAA CCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1cn(C)nc1C 1857688600 RZDZXBYUADCOHD-STQMWFEESA-N 290.367 0.954 0 50 CCAA CCn1ccnc1CN(C)c1nc(C(=O)OC)cc(=N)[nH]1 1857701811 QDSVXHKGZJNEPS-UHFFFAOYSA-N 290.327 0.529 0 50 CCAA Cc1ncn(C)c1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1 1857740157 BCJVIQNUVYJDGU-DLOVCJGASA-N 278.356 0.320 0 50 CCAA CN1CC[C@H](C(=O)NCc2cccc(C(=O)O)c2)CC1=O 121217555 MUMHKAWLWRBWLC-NSHDSACASA-N 290.319 0.869 0 50 CCAA COCC(C)(C)C(=O)N1CCC[C@H](c2nc(O)n[nH]2)C1 330602883 HNHRJJXFFKFYJL-VIFPVBQESA-N 282.344 0.889 0 50 CCAA CCc1cnc(O)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)c1 614457280 YRWXAYHGDIXAIP-GZMMTYOYSA-N 277.324 0.747 0 50 CCAA Cc1nc2n(n1)C[C@H](C(=O)NCCc1ccns1)CC2 829155905 AXPUJBSZUPYQAA-SNVBAGLBSA-N 291.380 0.964 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1cc(CC)[nH]n1 859340195 OATQZZOUEVLLJT-UHFFFAOYSA-N 250.302 0.233 0 50 CCAA CNC(=O)c1ccc(NC(=O)[C@H](N)COC)c(C)c1 167762725 VVQFUKGSJFSCNF-SNVBAGLBSA-N 265.313 0.267 0 50 CCAA COc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)cn1 282054671 XCLQCLGNTUXKFG-KOLCDFICSA-N 286.353 0.530 0 50 CCAA O=C(O)CCN(CC1CC1)C(=O)[C@H]1COCCO1 675971473 XTBGEVZJNPEEOZ-SNVBAGLBSA-N 257.286 0.115 0 50 CCAA CC(C)C[C@H](NC(=O)CC1CCNCC1)C(N)=O 584888892 XOCBQVXSQUPYHQ-NSHDSACASA-N 255.362 0.392 0 50 CCAA COc1ccc(NC(=O)C(=O)NCCO)cc1Cl 2962235 AGQMMPDJTPZUAL-UHFFFAOYSA-N 272.688 0.396 0 50 CCAA O=C(NOCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 135212829 FYBDSZVPSPDWNB-YFKPBYRVSA-N 261.221 0.031 0 50 CCAA C[C@@H]1CN(C(=O)NC[C@H]2CCCO2)CCN1CC(C)(C)O 249174674 YIYOHPREYDWCHZ-CHWSQXEVSA-N 299.415 0.652 0 50 CCAA CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(=O)n(C)n1 20389140 KPLXVADGXBXLMC-UHFFFAOYSA-N 297.318 0.929 0 50 CCAA O=c1[nH]nc2ccc(S(=O)(=O)N3CCCCCC3)cn12 67244922 GYQPBNXTMFDHLM-UHFFFAOYSA-N 296.352 0.587 0 50 CCAA Cn1c(CN2CCO[C@@H]3CCCC[C@H]32)cc(=O)n(C)c1=O 230198338 YKSNCYFDAXAVQS-CHWSQXEVSA-N 293.367 0.227 0 50 CCAA CN(C)CC(=O)N1CCO[C@H](CN(C)CC2CC2)C1 328654385 XIWMMPYFDBJDSF-CYBMUJFWSA-N 269.389 0.117 0 50 CCAA O=C(NCc1nn[nH]n1)c1coc(-c2ccccc2)n1 606370242 NVLPPANCBLUQOH-UHFFFAOYSA-N 270.252 0.785 0 50 CCAA Cc1cccc(CN(C)S(=O)(=O)c2cnnn2C)c1 330033486 AHDBHRWGJOXPLB-UHFFFAOYSA-N 280.353 0.944 0 50 CCAA O=C(NCCC1(O)CCOCC1)[C@@H]1[C@@H]2CCCO[C@@H]21 367718487 YJBRNOFEHSITBU-TUAOUCFPSA-N 269.341 0.459 0 50 CCAA COCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 340955098 MYNCJEOIZXLXKP-VIFPVBQESA-N 297.380 0.298 0 50 CCAA Cc1nnnn1CCC(=O)NCC1(Cn2cccn2)CC1 218983675 SUTUVNVQDXRJQR-UHFFFAOYSA-N 289.343 0.165 0 50 CCAA O=C(O)C1CCC(NS(=O)(=O)[C@@H]2CCOC2)CC1 262406596 KWCPCKJKGHGREP-UDNWOFFPSA-N 277.342 0.338 0 50 CCAA CN(C)c1cccc(C(=O)NCc2nc(=O)[nH][nH]2)c1 216023346 VAXHODHTZXKQNA-UHFFFAOYSA-N 261.285 0.094 0 50 CCAA CC(C)(C)n1cc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cn1 287021786 UNTUXTCPPKPVJO-ZJUUUORDSA-N 282.319 0.676 0 50 CCAA NC(=O)c1cccc(C[C@H]2CCN(C(=O)CO)C2)c1 72122417 YEJXRLVWOQZRHV-LLVKDONJSA-N 262.309 0.169 0 50 CCAA COC(=O)c1ccc(C)c(NC(=O)N2CCNC(=O)C2)c1 43388460 JXWHLCRVIAMIKC-UHFFFAOYSA-N 291.307 0.745 0 50 CCAA CO[C@H]1C[C@@H](C(=O)Nc2nnc3ccccn23)N(C)C1 343728223 ISQCGXNNZZENKR-UWVGGRQHSA-N 275.312 0.387 0 50 CCAA COCCOCC(=O)N1CCC[C@H](c2n[nH]c(C)n2)C1 221248481 PJJMKALCECORNE-NSHDSACASA-N 282.344 0.482 0 50 CCAA C[C@H](Cc1cccs1)NC(=O)Cc1nc(O)n[nH]1 426634172 KTZRHNMWMFKYBZ-SSDOTTSWSA-N 266.326 0.862 0 50 CCAA Cc1nc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)s1 179071861 IMQQVSVVTTWKPD-MRVPVSSYSA-N 290.366 0.855 0 50 CCAA Cc1cc(C(=O)N[C@H](C)c2nc(N)n[nH]2)c(=O)n(C)c1C 426544758 LZSKWJZNFXGDCO-SSDOTTSWSA-N 290.327 0.193 0 50 CCAA CC(=O)c1cc(CN2CC[C@](C)(O)[C@@H](O)C2)n(C)c1 96149016 IAZTVKVWMKQEGI-KBPBESRZSA-N 266.341 0.545 0 50 CCAA CCN1C[C@@H](C(=O)N(C)CCCc2nccn2C)CC1=O 91893367 KFULBJBVBUOXCI-LBPRGKRZSA-N 292.383 0.680 0 50 CCAA CN(Cc1cnn(CCC(=O)O)c1)C[C@@H]1COCCO1 97635114 KZSPLTUCYOCDCP-GFCCVEGCSA-N 283.328 0.205 0 50 CCAA O=C(NCc1ccc2c(c1)CCO2)[C@H]1NCCc2nc[nH]c21 534674543 CMIWEIVHGHZHRX-HNNXBMFYSA-N 298.346 0.848 0 50 CCAA CN(Cc1n[nH]c2c1CCCC2)C(=O)C[C@@H]1CNCCO1 534649993 BPGJFZIYDUXRCS-LLVKDONJSA-N 292.383 0.625 0 50 CCAA Cn1cc(CNC(=O)[C@@]23CCCC[C@@H]2NCC3)nn1 1342159302 LBOLUBHMGDKWPY-WCQYABFASA-N 263.345 0.354 0 50 CCAA Cc1nn(C)cc1-c1cccc(C(=O)NC[C@@H](O)CO)c1 299781165 SSKICFUVIBDVPY-CYBMUJFWSA-N 289.335 0.479 0 50 CCAA CCc1nc(-c2nn(C)cc2Cl)n(CCO)n1 828778493 RUQSAROHCQPQEB-UHFFFAOYSA-N 255.709 0.887 0 50 CCAA Cc1cnc(CN2CCOC[C@H](CN(C)C)C2)[nH]1 584891209 GLXNAKCSEQRHMT-GFCCVEGCSA-N 252.362 0.728 0 50 CCAA COC(=O)NS(=O)(=O)NCCOc1ccccc1 824159302 QRHGBXAYLWTVBR-UHFFFAOYSA-N 274.298 0.256 0 50 CCAA CN1CCC[C@H](CNC(=O)Cn2nnc(C(C)(C)C)n2)C1 1875280568 XMJJQMLEKJNLEX-LLVKDONJSA-N 294.403 0.429 0 50 CCAA O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12 1875290353 WKFRBQBUJFXWJG-AMWQDVRLSA-N 277.320 0.731 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)NCCC1CCOCC1 886075165 DFCYNYONIHWGCL-CYBMUJFWSA-N 298.383 0.293 0 50 CCAA Fc1cnc(N2CCN(c3ccnnc3)CC2)nc1 895962030 CTNYGHIRLNKHML-UHFFFAOYSA-N 260.276 0.732 0 50 CCAA C[C@H](Cc1cnccn1)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 1775959705 RGEOOGDFCZFOCC-YXCITZCRSA-N 273.340 0.568 0 50 CCAA NC(=O)c1ccc(CNC(=O)c2ccc3nccnc3n2)o1 225506048 ZWIIAAOOAFHBTA-UHFFFAOYSA-N 297.274 0.647 0 50 CCAA CCCc1nc([C@@H]2CN([C@@H](C(=O)O)C3CC3)CCO2)n[nH]1 635016955 QANFIBBVYYQPQJ-CMPLNLGQSA-N 294.355 0.994 0 50 CCAA COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cnc2ccccn12 189593290 KKDWSGJWKWIKRZ-GXTWGEPZSA-N 289.335 0.833 0 50 CCAA O=C(NC[C@@]1(O)CCOC1)c1ccnc2ccncc12 282441677 GSDVTXUAEBPGPS-AWEZNQCLSA-N 273.292 0.511 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(c2ccncc2Cl)C1 643713090 KLCSSOHUQKQSHT-LBPRGKRZSA-N 269.732 0.942 0 50 CCAA COC(C)(C)C(=O)N1CCS(=O)(=O)C[C@H](C)C1 191890058 JCUHRDMKKSYTLN-SECBINFHSA-N 263.359 0.305 0 50 CCAA CCN1CCC[C@@H]1CN(C)C(=O)c1cncnc1N 192360809 LMSGFDHFFOVEAT-SNVBAGLBSA-N 263.345 0.615 0 50 CCAA Cc1nnnn1C[C@@H](O)COCc1cccs1 193414504 DYLNLYBOSAJSMR-SECBINFHSA-N 254.315 0.621 0 50 CCAA COc1ccc2oc(N3CCN(C)C[C@H]3CN)nc2c1 563143178 PAHALSCJXZKYPX-SNVBAGLBSA-N 276.340 0.916 0 50 CCAA C[C@@H](CN(C(=O)c1ccnn1C)C1CC1)C(=O)O 195551905 ZPSSUNFJMDMYMP-QMMMGPOBSA-N 251.286 0.745 0 50 CCAA O=C1C[C@]2(CCN(C(=O)c3cnc4ccccn34)C2)CN1 568705706 SSWGJYXQMCCQEC-OAHLLOKOSA-N 284.319 0.687 0 50 CCAA O[C@]1(Cn2ccnn2)CCN(CCOCC(F)(F)F)C1 671554489 BPRRZMFFKBJZHL-SNVBAGLBSA-N 294.277 0.294 0 50 CCAA Cc1cccc(NC(=O)NCC(=O)N=S(C)(C)=O)n1 585120037 JNVFZCFRIMFHKG-UHFFFAOYSA-N 284.341 0.766 0 50 CCAA C[C@@H]1[C@H](N(C)C)CCN1Cc1nnnn1C(C)(C)C 585116306 PYRDJNYYBVYUSO-GHMZBOCLSA-N 266.393 0.953 0 50 CCAA Cn1cc(C(=O)NC(C)(C)[C@@H](O)C(F)(F)F)nn1 1347268349 NNDNATZZZFRUQD-SSDOTTSWSA-N 266.223 0.247 0 50 CCAA Cc1c(NC(=O)CN(C)Cc2cc[nH]n2)cnn1C 1506414682 QJMMOFQWDVLTMM-UHFFFAOYSA-N 262.317 0.522 0 50 CCAA Cc1nc(CCNC(=O)[C@H]2CNC(=O)N2)sc1C 1857690582 OHGJYYSQVBNMEM-MRVPVSSYSA-N 268.342 0.100 0 50 CCAA Cc1cnc(N2CCO[C@@H](C(=O)O)C2)nc1N(C)C 1704313884 MUCOQMLQCSTZFS-SECBINFHSA-N 266.301 0.141 0 50 CCAA CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 4149177 KLLVJSXJXKQICM-MNOVXSKESA-N 276.402 0.963 0 50 CCAA O=C1C[C@H]2CN(C(=O)CNc3ccc(F)cc3)C[C@H]2N1 1857687172 POIZQALNBGPZLM-JOYOIKCWSA-N 277.299 0.585 0 50 CCAA COc1cc(-c2nccn2Cc2nc(O)n[nH]2)ccn1 1857709156 IIJOFDOPJJPLIY-UHFFFAOYSA-N 272.268 0.826 0 50 CCAA COCCCn1ccc(NC(=O)[C@@]2(C)CCC(=O)NC2)n1 242106235 WIASDVZNLZOEQV-AWEZNQCLSA-N 294.355 0.774 0 50 CCAA O=C1CO[C@@H]2CCN(c3cnc4ccccc4n3)C[C@@H]2N1 366607611 KFNRBMHDEPLBPP-QWHCGFSZSA-N 284.319 0.724 0 50 CCAA COCCN1CN(C(=O)[C@H]2CCCc3c[nH]nc32)CC1=O 367040054 DIUHSBJNOHLDPO-NSHDSACASA-N 292.339 0.104 0 50 CCAA COc1nc(N2C[C@H]3COC[C@@H](C2)CN3C)ncc1F 1704327862 UAASXUNQLUOGGB-ZJUUUORDSA-N 282.319 0.391 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 252682470 CCEOHBAZAYVOCH-SRVKXCTJSA-N 291.417 0.024 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@H]2CCc3nn[nH]c3C2)[C@H]1CO 408076384 IAUSLCKWQGBPOB-NRUUGDAUSA-N 278.356 0.529 0 50 CCAA CNS(=O)(=O)C[C@@H]1CCCN1C[C@H]1CC[C@@H](C)O1 332662160 GFCHTADLKJJXKI-GRYCIOLGSA-N 276.402 0.568 0 50 CCAA Cc1cc(C(=O)N=[S@@](C)(=O)C2CCOCC2)c(O)nn1 2325864853 BLFDAOASVUUJOF-FQEVSTJZSA-N 299.352 0.908 0 50 CCAA CC(C)(CO)NC(=O)[C@H]1CC(c2ccccc2O)=NO1 815007 FVROZRKDRWOAPE-GFCCVEGCSA-N 278.308 0.772 0 50 CCAA COc1ccc(CNC(=O)C(=O)NC(C)C)cc1 2898563 WCSSHNYLPDZVAZ-UHFFFAOYSA-N 250.298 0.836 0 50 CCAA CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1O 4262426 VVSWDMJYIDBTMV-TVQXOTEMSA-N 282.292 0.194 0 50 CCAA C[C@@H]1CCCN(c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1 4818608 RSADGNHRYVKPIG-MRVPVSSYSA-N 277.328 0.197 0 50 CCAA COC[C@H](C)NC(=O)c1ccccc1NS(C)(=O)=O 6703055 YAHKBUGZTJODMM-VIFPVBQESA-N 286.353 0.823 0 50 CCAA CCc1c(C)nc(N2CCN(CC)CC2)[nH]c1=O 8019883 NUMXVKIUFMYHMH-UHFFFAOYSA-N 250.346 0.783 0 50 CCAA CN(C(=O)C[C@H]1NC(=O)NC1=O)C1Cc2ccccc2C1 56299815 MJRPCVAJNGQIHA-GFCCVEGCSA-N 287.319 0.210 0 50 CCAA CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10323929 WOWRDINEBYBZIO-MRVPVSSYSA-N 268.338 0.757 0 50 CCAA C[C@H](C(=O)N1CCCC1)N1CCC[C@@H](C(=O)NC2CC2)C1 229239606 RFZJVVCBKUXZJZ-CHWSQXEVSA-N 293.411 0.988 0 50 CCAA CC(=O)Nc1ccc(NC(=O)[C@H](C)n2cnnn2)cc1 409413479 IFLCUHBIGBVHNC-QMMMGPOBSA-N 274.284 0.831 0 50 CCAA COc1ccnc(N2CCC[C@H]2c2nc(C(N)=O)no2)n1 328624719 KBHOOUXBTZSTQB-ZETCQYMHSA-N 290.283 0.309 0 50 CCAA C[C@H]1C[C@H](S(=O)(=O)N2CCOC(C)(C)C2)CCO1 253429515 NJHMKIHUUHZNMV-WDEREUQCSA-N 277.386 0.995 0 50 CCAA CN1C(=O)CCc2cc(C(=O)NC[C@H](O)C(F)F)ccc21 332739689 YHTRCOMAGVRLQZ-NSHDSACASA-N 298.289 0.951 0 50 CCAA C[C@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@@H](C)N1 153497099 MLHWCSZSJHICOR-PHIMTYICSA-N 291.351 0.373 0 50 CCAA CN1CCN(C(=O)C(=O)c2ccc(N(C)C)cc2)CC1 71772634 KSLLYWCOOGMYGQ-UHFFFAOYSA-N 275.352 0.709 0 50 CCAA CCCc1cc(C(=O)N[C@H](CC)C(=O)NC)n(C)n1 77375560 YAIRBIMUDZNKIO-SNVBAGLBSA-N 266.345 0.627 0 50 CCAA Nc1ncnc(N2CCC[C@@H]2Cn2cncn2)c1Cl 369010061 MXTVQLGGYWJGAR-MRVPVSSYSA-N 279.735 0.973 0 50 CCAA C[C@@H](CN)CC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 237516462 SKDTVSLJOAEIBG-RISCZKNCSA-N 280.372 0.479 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2ncc(Cl)cn2)C1 284513620 LIUPDDPSGDCIKJ-YUMQZZPRSA-N 256.693 0.209 0 50 CCAA CC1=NO[C@@H](C(=O)NCCSc2nc(C)n[nH]2)C1 71745446 NXVSEGDEKJGWHQ-MRVPVSSYSA-N 269.330 0.486 0 50 CCAA O=C(CCn1cnc2ccccc21)N[C@@H]1CCNC[C@H]1O 77301665 LSHHWPKWSWDBRP-TZMCWYRMSA-N 288.351 0.265 0 50 CCAA COCCOCC(=O)N[C@H]1CCCN(c2cnccn2)C1 219841702 TYIHAWVHENRALY-LBPRGKRZSA-N 294.355 0.225 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)CCn2cncn2)c2ccccc21 131987389 DCRINPNOGMTNDS-LLVKDONJSA-N 286.291 0.883 0 50 CCAA CCc1c(C)cc(C(=O)N2CCOC[C@H](O)C2)c(=O)n1C 77506016 MGFWZMDNGJMABO-LLVKDONJSA-N 294.351 0.089 0 50 CCAA Cn1c(CN[C@H]2COC[C@H]2n2ccnn2)nc2ccccc21 285003207 ZUVUFLHQLHMZNE-GXTWGEPZSA-N 298.350 0.895 0 50 CCAA Cc1ccc(C)c(CC(=O)N2CCC[C@](O)(C(N)=O)C2)c1 285474655 KSFDLRGIROJCEV-MRXNPFEDSA-N 290.363 0.685 0 50 CCAA O[C@@H](CNc1ncnc2c1CCNCC2)CN1CCCC1 72440169 DFRJIZNQELOUAL-LBPRGKRZSA-N 291.399 0.033 0 50 CCAA Cc1nn(C)cc1CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 426372515 UUCPJXCWINTJIL-SNVBAGLBSA-N 285.369 0.122 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)CN(C)Cc1ccncc1 223845262 KQPZWYMNYJRKKB-ZIAGYGMSSA-N 293.367 0.434 0 50 CCAA C[C@H](CCC(=O)NCCc1nnc(N)s1)N1CCCC1 426471028 YUMLJKKRJJQWRX-SNVBAGLBSA-N 297.428 1.044 0 50 CCAA COCCN(C)[C@H](C(=O)O)c1ccc(OC)nc1 95392822 ONIKKYSBCRENAP-NSHDSACASA-N 254.286 0.794 0 50 CCAA CC1(C)SC[C@H](C(=O)NCCCn2ccnc2)NC1=O 97713693 LAJRBBQYUAWKAV-SNVBAGLBSA-N 296.396 0.400 0 50 CCAA CCOC(=O)[C@H](C)N1CCN(CC(F)(F)F)C(=O)C1 242273529 YDMHDAQFYJUGRL-QMMMGPOBSA-N 282.262 0.645 0 50 CCAA O=C(CCCN1CCCC1=O)NCc1ccno1 244852970 VCXCKXNGNZHLDY-UHFFFAOYSA-N 251.286 0.693 0 50 CCAA Cc1sc(=O)n(CC(=O)N2CCC[C@H](O)C2)c1C 299141072 SPYGUMYGQVJHDX-JTQLQIEISA-N 270.354 0.510 0 50 CCAA CC(=O)NC[C@H]1CN(C(=O)C2(N)CCCCC2)CCO1 299753152 XAUFYGROPMGESE-LBPRGKRZSA-N 283.372 0.012 0 50 CCAA CNCc1nc2c(N3CCOCC3)nc(Cl)nc2n1C 255187789 GUCJFSFHBMZLBA-UHFFFAOYSA-N 296.762 0.573 0 50 CCAA NC(=O)c1ccc(=NC[C@H]2CC(=O)N(C3CC3)C2)[nH]c1 355574251 KXMIUGOTZHMJIF-SECBINFHSA-N 274.324 0.025 0 50 CCAA CCCn1ccnc1CNC(=O)CN1CCOCC1 534580232 QIGCMGNZVSSUBA-UHFFFAOYSA-N 266.345 0.242 0 50 CCAA CCCn1ncnc1[C@H](C)NS(=O)(=O)N1CCCC1 534661205 GXUQLPKDUQDUSX-JTQLQIEISA-N 287.389 0.679 0 50 CCAA CCc1ocnc1C(=O)N(C)C1CCS(=O)(=O)CC1 299766382 NSKVAZPPXJMIBS-UHFFFAOYSA-N 286.353 0.886 0 50 CCAA Cc1ccc2c(=O)n(CCN(C)S(C)(=O)=O)cnc2c1 584887326 IKOUSDWADXBQDN-UHFFFAOYSA-N 295.364 0.596 0 50 CCAA CN(CCCCN1CCOCC1)C(=O)[C@@H]1CCOC1 584891666 RQCPDMHRUOGDRA-CYBMUJFWSA-N 270.373 0.594 0 50 CCAA Cc1ccnc(O)c1C(=O)N[C@@H]1CCNC(=O)CC1 1451797534 DFIVQTJULKHDTN-VIFPVBQESA-N 263.297 0.494 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)[C@H]2CCCOC2)C1 630251273 FWUIMMDRZWNFHL-CABZTGNLSA-N 257.286 0.115 0 50 CCAA CC(C)(C)OC(=O)NC1CN(c2ncc(C(=O)O)cn2)C1 1875370045 ZKLBUQVWUGAFBS-UHFFFAOYSA-N 294.311 0.888 0 50 CCAA CC(C(=O)N1CC(O)(c2cnnn2C)C1)=C1CCCC1 952883899 SVMIQEPOXQCEOV-UHFFFAOYSA-N 276.340 0.735 0 50 CCAA Cn1c(CCC(N)=O)nnc1SCC[C@@H]1CCOC1=O 1458863417 UHYZJPFKAHFWFI-QMMMGPOBSA-N 298.368 0.278 0 50 CCAA CO[C@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@@H]1O 952985599 WTGIUVPQJPUDAE-STQMWFEESA-N 281.356 0.188 0 50 CCAA Cc1cnc(CNCCN2CCC[C@@H](CO)C2)[nH]1 952984420 VAUQISASZILPEY-GFCCVEGCSA-N 252.362 0.512 0 50 CCAA COCCn1ccnc1CN1CC[C@@H](C(=O)O)C1 244873328 WOFMKNNGZWUMPN-SNVBAGLBSA-N 253.302 0.436 0 50 CCAA C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1C)[C@@H]1C[C@H]2CC[C@H]1C2 1775985184 XFRUIFKUJXGGGI-WWRXHXRLSA-N 294.395 0.765 0 50 CCAA Cn1ccc(C(=O)NCCN2CCOCC2(C)C)cc1=O 170863648 ODWXGMCCWZWSHF-UHFFFAOYSA-N 293.367 0.226 0 50 CCAA C[C@@H](C(=O)O)N(C)C(=O)Cc1ccccc1S(C)(=O)=O 576823121 OOJPSMSKQFEEES-VIFPVBQESA-N 299.348 0.564 0 50 CCAA C[C@@H](C(N)=O)n1cc(I)cn1 42384373 PRVSVEZBFGSWGL-BYPYZUCNSA-N 265.054 0.534 0 50 CCAA in-vitro Cc1noc(C)c1NC(=O)N1CCN(CCO)CC1 408332938 XZNXFWWVYPJINK-UHFFFAOYSA-N 268.317 0.433 0 50 CCAA Cc1cccc(NC(=O)CN2CC[C@H](CO)[C@@H](O)C2)c1 225666673 ABJOZQJWBNOZOH-OCCSQVGLSA-N 278.352 0.609 0 50 CCAA CN(C)C[C@@H]1CN(c2nc(=N)[nH]c3c2CCCC3)CCO1 645164194 GROIVWROWURTKW-LLVKDONJSA-N 291.399 0.535 0 50 CCAA CN1CC[C@H](NCC2(C(N)=O)CCOCC2)[C@H]2CCC[C@@H]21 584069077 NPCRPFAEQIRGRT-RDBSUJKOSA-N 295.427 0.731 0 50 CCAA COC(C)(C)C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 191890067 JCUHRDMKKSYTLN-VIFPVBQESA-N 263.359 0.305 0 50 CCAA c1cn(C[C@@H]2CN(CCO[C@H]3CCCCO3)CCO2)nn1 585115970 BVJHDNWSDSNERO-KBPBESRZSA-N 296.371 0.522 0 50 CCAA O[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1n1ccnn1 585116173 JQWFSQKHUITWRT-CHWSQXEVSA-N 262.288 0.835 0 50 CCAA C=CC(=O)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 585122701 IRBHNVZWDTZWBD-NSHDSACASA-N 285.303 0.883 0 50 CCAA C[C@H]1[C@H](N(C)C)CCN1Cc1nnnn1C(C)(C)C 585116309 PYRDJNYYBVYUSO-WDEREUQCSA-N 266.393 0.953 0 50 CCAA Cn1ccnc1NC(=O)Cn1ncc2ccccc2c1=O 1276120354 UNLVDNWRWMXIQZ-UHFFFAOYSA-N 283.291 0.769 0 50 CCAA Cc1cccc(CCNC(=O)c2c[nH]nc2-n2cnnn2)n1 1506413929 AOMOSNAFMUCRSJ-UHFFFAOYSA-N 298.310 0.061 0 50 CCAA O=S1(=O)CC[C@@H](CO)N1CC1CC2(CCC2)C1 1857533424 BBLQGPFLBPAQCY-NSHDSACASA-N 259.371 0.963 0 50 CCAA O=C(c1cn2ccsc2n1)N1CC[C@@H]2CNC[C@@H]21 220277250 SFTLLXWLHNXIIS-SCZZXKLOSA-N 262.338 0.830 0 50 CCAA CCS(=O)(=O)CCn1cnc2sccc2c1=O 266494773 VZGVRTCKWGHVMK-UHFFFAOYSA-N 272.351 0.893 0 50 CCAA CCC(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13008761 ICZBYAZJTJDTCC-UHFFFAOYSA-N 286.339 0.721 0 50 CCAA C[C@@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@H](c3ccco3)[C@@H]12 166815527 SHKPILSSTFYILQ-IANFPDNMSA-N 278.312 0.962 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3CC(O)C3)n[nH]c21 1857528498 WMKWGSPOTHSCPI-XHHQTKHESA-N 279.340 0.933 0 50 CCAA CN1CC2(C1)CN(C(=O)c1nn(C)c(=O)c3ccccc13)C2 1857700621 XYLLTWHANFMOFC-UHFFFAOYSA-N 298.346 0.321 0 50 CCAA CCc1cccnc1C(=O)N1CCC[C@@]1(COC)C(N)=O 643940156 AALDVLDFJARINU-OAHLLOKOSA-N 291.351 0.751 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)NC(C)(C)CCC(=O)O 236815770 BDWMPSJHJHXPOR-JTQLQIEISA-N 270.329 0.757 0 50 CCAA CCCCOCC(=O)N1CCC2(CC1)CNC(=O)C2 65493912 UMWCYXCGXAYMOQ-UHFFFAOYSA-N 268.357 0.932 0 50 CCAA C[C@H](C(=O)N1CCC(c2nc[nH]n2)CC1)n1cccn1 426431351 QCZCJFIPNOYRJM-SNVBAGLBSA-N 274.328 0.968 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)c2ccc(F)cn2)C1 630253183 CFVKXHCADIQGNT-GFCCVEGCSA-N 268.244 0.536 0 50 CCAA CC(C)N1CCC(N2CCO[C@H](c3nn[nH]n3)C2)CC1 2100477653 FKNFNPNQOJHOJP-LBPRGKRZSA-N 280.376 0.446 0 50 CCAA COc1ccc(NC=O)c(C(=O)CCNC(C)=O)c1 895837 JYWNYMJKURVPFH-UHFFFAOYSA-N 264.281 0.972 0 50 CCAA endogenous,in-man O=C(O)C1=NN2C(O)=CC(c3ccccc3)=N[C@H]2N1 4156838 SJRUWYSDTRIVSX-LBPRGKRZSA-N 258.237 0.476 0 50 CCAA CCOC(=O)[C@H]1[C@@H]2C(=O)N(CCCOC)C[C@@]23C=C[C@H]1O3 100886183 NLUZJOIRSXXCLK-BLTAXRJOSA-N 295.335 0.368 0 50 CCAA COc1ccccc1CC(=O)NC[C@@H]1COCCO1 54616989 IWSJIGJECOBMSD-GFCCVEGCSA-N 265.309 0.769 0 50 CCAA C[C@@H]1Oc2ccccc2N(CC(=O)N=c2cccn[nH]2)C1=O 346046027 ATHCUKVZGVOXAD-JTQLQIEISA-N 298.302 0.651 0 50 CCAA C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 248322430 WGECLASMKSFQPB-AEGPPILISA-N 289.379 0.710 0 50 CCAA Cc1nc2ccccc2n1CC(=O)N[C@H]1CCCNC1=O 64099068 HLXMOMKRTXRBSK-LBPRGKRZSA-N 286.335 0.740 0 50 CCAA CC(=O)N(C)[C@H]1CCN(c2ncc(C)c(N(C)C)n2)C1 65451897 DTVWNSQINHWOGD-LBPRGKRZSA-N 277.372 0.908 0 50 CCAA C[C@H](C(=O)NC[C@H]1CCCO1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 428189749 RBZYIRFRNKWTLS-PLJUSGQGSA-N 292.379 0.555 0 50 CCAA CNC(=O)CNC(=O)c1ccc(-c2nnc(S)o2)cc1 125829997 GFRBBGVAJDSEOG-UHFFFAOYSA-N 292.320 0.501 0 50 CCAA O=C(CCn1cncn1)N1CCOCC12CCC2 152283682 YRAGUWSFFWHDOR-UHFFFAOYSA-N 250.302 0.450 0 50 CCAA CCN1CCN(C(=O)c2nc(C)c(C)nc2O)[C@@H](C)C1 329289134 MXHMHYLFEQLYKD-VIFPVBQESA-N 278.356 0.965 0 50 CCAA CCCc1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)[nH]n1 236898949 XTMPCEDZXCYELY-JTQLQIEISA-N 281.312 0.678 0 50 CCAA CCc1ncc(C(=O)N2CCOC[C@H]2C(=O)O)s1 521364102 CFRWVZGCHUYMMZ-ZETCQYMHSA-N 270.310 0.631 0 50 CCAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)N[C@H]4[C@@H]5CNC[C@@H]54)[C@H]1[C@H]3C2 333782445 DXIUCYYLSCSMSM-NDPYPVDVSA-N 277.368 0.269 0 50 CCAA CCc1nnc2ccc(N3CCC[C@H]4C(=O)NC[C@H]43)nn12 366823753 MMXDJIDVBKLLIQ-NXEZZACHSA-N 286.339 0.402 0 50 CCAA CCCCCC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC 71772895 VSYRTMNKOKEIDH-VHSXEESVSA-N 288.344 0.417 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)CCc3ccncn3)[C@@H]2C1 285991950 YMAXXDMBXUEYDK-ZIAGYGMSSA-N 290.367 0.341 0 50 CCAA Cc1[nH]nc(O)c1NC(=O)C1CN(CC(F)F)C1 615220047 DHWZBINZTUSUOM-UHFFFAOYSA-N 260.244 0.559 0 50 CCAA NC(=O)N1CCC[C@H]1C(=O)NCc1ccc2nc[nH]c2c1 615788568 AEXYHYNADKPZDS-LBPRGKRZSA-N 287.323 0.722 0 50 CCAA Cc1cnc(N2CC[C@H](N(C)C)C2)nc1-c1ncnn1C 82039315 JGMYUXBLOAXJID-NSHDSACASA-N 287.371 0.721 0 50 CCAA CC(C)n1cnnc1CCNC(=O)[C@@H](C)N(C)C 426613680 UKJWURDLHFSLJF-SNVBAGLBSA-N 253.350 0.468 0 50 CCAA CSCc1noc(C2CCN(CC(N)=O)CC2)n1 96151367 JBGKDIOETSMVTF-UHFFFAOYSA-N 270.358 0.597 0 50 CCAA Cc1nccn1CC1CCN(C[C@H](O)CO)CC1 97179388 BHCJVSNMMNAXQT-ZDUSSCGKSA-N 253.346 0.257 0 50 CCAA Nc1nccc(N2C[C@H](CO)[C@H](CN3CCCCC3)C2)n1 91657404 IUHNWPUFMAQPFB-CHWSQXEVSA-N 291.399 0.589 0 50 CCAA CSCc1noc([C@H]2CC(=O)N(CCN(C)C)C2)n1 96141562 SGTACPBVBZCLQP-VIFPVBQESA-N 284.385 0.810 0 50 CCAA CC[C@@]1(c2ccccc2)NC(=S)N(CCO)N1 334160802 MRCRTYBAONWYMA-GFCCVEGCSA-N 251.355 0.936 0 50 CCAA CN1CCCC[C@H]1CN1CCc2c(c(CO)nn2C)C1 252482291 DCKJBLZQDRVZQP-LBPRGKRZSA-N 278.400 0.755 0 50 CCAA O=C(NCCc1c(F)cccc1F)[C@@H]1C[C@@H](O)CN1 299749601 KYVAGKRTVPLVOB-PELKAZGASA-N 270.279 0.346 0 50 CCAA CN(C)c1cc(CN2CCC([C@H](O)C(N)=O)CC2)ccn1 299749383 KDJMNNJBMCLRMQ-AWEZNQCLSA-N 292.383 0.206 0 50 CCAA COCC1(NC(=O)CN(C)C2CCNCC2)CCCC1 534661409 SEIQFCCSPHWYMN-UHFFFAOYSA-N 283.416 0.746 0 50 CCAA COc1ccc(C(=O)NCc2nc(N)n[nH]2)cc1C 534660317 KWADYXULSAHQNC-UHFFFAOYSA-N 261.285 0.634 0 50 CCAA O[C@H]1CN(c2ncccn2)CCN(C2CCSCC2)C1 828637891 CWCLWVFWFMECFS-CYBMUJFWSA-N 294.424 0.855 0 50 CCAA COC(=O)c1cc(Cn2nnnc2C)cc(C(=O)OC)c1 270896895 SMEKUSPVUZRNBK-UHFFFAOYSA-N 290.279 0.603 0 50 CCAA CN(C[C@@H]1CCCCN1C)C(=O)NCCC(=O)O 1506421733 UUALPGSXXRRQRU-JTQLQIEISA-N 257.334 0.587 0 50 CCAA CCOC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1O 71873570 YKDLEHPCPKSCPK-RYUDHWBXSA-N 263.293 0.569 0 50 CCAA in-vitro CCN(c1cccnc1)S(=O)(=O)C[C@@H]1COCCO1 1875289899 XBTMRCWCVLUWHG-LBPRGKRZSA-N 286.353 0.653 0 50 CCAA COC[C@H]1NC(=O)CCN(C[C@@H]2Cc3ccccc32)C1=O 1875310107 DOOHOSSBZGWGII-GXTWGEPZSA-N 288.347 0.690 0 50 CCAA CC(=O)N[C@H]1CCN(C(=O)CC2C[C@@H]3CC[C@H](C2)N3C)C1 1875344190 GWWMMKVMNZKNDR-WIGRTHMWSA-N 293.411 0.986 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)Cc2ccc[nH]2)C1 888076847 LYLSPINZTKOTJM-AWEZNQCLSA-N 279.340 0.047 0 50 CCAA C=CC(=O)N(CC)CC(=O)NC1(c2ncon2)CCCC1 1520738260 RRZIPBNJGHKBEQ-UHFFFAOYSA-N 292.339 0.990 0 50 CCAA NC[C@@H](CO)Cc1cc(-c2cnc(N)nc2)ccc1F 899325304 TUUBGCRNMIEIQD-VIFPVBQESA-N 276.315 0.975 0 50 CCAA CC(C)c1nncn1CCNC(=O)c1cn(C)c(O)n1 1362124948 ANXRHAMYAPCOBZ-UHFFFAOYSA-N 278.316 0.271 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2cccc(O)n2)C[C@H]1O 1529119514 JEWQXFMBHGUOEG-IUODEOHRSA-N 294.351 0.773 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cnc(N)nc2C)[C@H]2CCO[C@H]21 1565530934 OKUOHCZYDOLOCA-NUGNTBJXSA-N 292.339 0.147 0 50 CCAA CC(=O)N1CC(C(=O)N2CCOC[C@H]2C2CC2)C1 188620664 DAXDAHDEBFHNTL-LBPRGKRZSA-N 252.314 0.102 0 50 CCAA COCC1(O)CCN(C(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)CC1 407967221 RIPRLNZNXLQEAN-SDDRHHMPSA-N 271.357 0.800 0 50 CCAA C[C@H]1C[C@@H](CN2CCC(S(N)(=O)=O)CC2)CCO1 408358610 GXEUFFIUJIMYRR-QWRGUYRKSA-N 276.402 0.554 0 50 CCAA CCS(=O)(=O)N1CCN([C@H](C)c2n[nH]c(C)n2)CC1 408470986 XKUGXGIBNRPWMQ-SECBINFHSA-N 287.389 0.141 0 50 CCAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cc[nH]n2)C1 643754668 CCMPSIMFYGTVRE-ZDUSSCGKSA-N 266.345 0.215 0 50 CCAA COC[C@H]1CN(Cc2nncn2C)CC(C)(C)O1 570231292 QOWYFFFSRIBSTA-SNVBAGLBSA-N 254.334 0.441 0 50 CCAA CCn1c(-c2cc[nH]n2)nnc1N1CC[C@@](C)(C(N)=O)C1 669137257 XRFPLRRTAZYHHW-CYBMUJFWSA-N 289.343 0.390 0 50 CCAA Cc1nc(N)nc(NC[C@H]2CN(C)CCN2C)c1Cl 1506407385 NQGKWPDISLIHQO-VIFPVBQESA-N 284.795 0.678 0 50 CCAA CCc1nc(CN2CC[C@H](C(=O)O)[C@H](O)C2)cs1 1704315541 JPDXMXKNNGFPGM-VHSXEESVSA-N 270.354 0.973 0 50 CCAA O=C(CSc1ccccc1)N[C@@H]1CC[C@@H](O)[C@H]1O 1857688745 YWIJKOJOHRHGBJ-WZRBSPASSA-N 267.350 0.779 0 50 CCAA CN(C)c1ccnc(CNC(=O)[C@@H]2C[C@H](N)[C@H]3C[C@H]32)c1 1615549405 VVYRNJZCTRCESL-RQJABVFESA-N 274.368 0.747 0 50 CCAA O=C(NCc1[nH]nc2ncccc12)c1cn2cccnc2n1 1772810045 HTAAHWOGQYVJBT-UHFFFAOYSA-N 293.290 0.931 0 50 CCAA C/C=C/CCCC(=O)N1C[C@H]2[C@H](C1)C2(CO)CO 1772711250 GOEUYXOFSHDIPR-QVWGBTSJSA-N 253.342 0.792 0 50 CCAA Cc1cc(NC(=O)C[C@@H]2SC(N)=NC2=O)no1 5043793 BNNSJPYYGGKDPB-YFKPBYRVSA-N 254.271 0.268 0 50 CCAA CN(C)S(=O)(=O)c1ccc(CCC(=O)O)cc1 13999290 ZIKKLXQGFFMRAY-UHFFFAOYSA-N 257.311 0.954 0 50 CCAA CC(C)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1cccn(C)c1=O 1857703323 ZAMCGSBZRMJWNE-KBPBESRZSA-N 289.379 0.969 0 50 CCAA O=C(CCn1cccn1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857711503 CVGRPWIXQKOLJH-AGIUHOORSA-N 279.340 0.272 0 50 CCAA COC[C@H]1CCCN(S(=O)(=O)c2ccnn2C)CC1 331555067 BTFSBVJJJAEPCL-NSHDSACASA-N 287.385 0.857 0 50 CCAA Cc1cc(C(=O)N2CCCN([C@H](C)CO)CC2)n[nH]1 368948423 CIRYBUYTMZLTJV-LLVKDONJSA-N 266.345 0.247 0 50 CCAA Cn1c(=O)[nH]c2ccc(C(=O)N3CCC[C@H]3C(=O)O)cc21 263503295 ZMCAHYSZXQQLFV-JTQLQIEISA-N 289.291 0.556 0 50 CCAA N[C@H]1C[C@@H](CN2CCC(N3CCCNC3=O)CC2)C1 904325303 VLJIUNHEOVWXQU-TXEJJXNPSA-N 266.389 0.603 0 50 CCAA Cc1[nH]nc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)c1Cl 1704328923 PBPIGNBWDLTPNH-UWVGGRQHSA-N 298.774 0.774 0 50 CCAA c1cnc(N2CCN(CCn3ccnc3)CC2)cn1 122609732 ORCHZSNDRDWUEJ-UHFFFAOYSA-N 258.329 0.495 0 50 CCAA Nc1ccncc1C(=O)N1CCN(CC2CC2)CC1 127599586 MQUVDYDHCJXYLG-UHFFFAOYSA-N 260.341 0.832 0 50 CCAA O=C(NCc1cccc2cccnc12)[C@H]1C[C@@H](O)CN1 127662651 SOJJTSPJXJJTFX-CHWSQXEVSA-N 271.320 0.574 0 50 CCAA COc1cccc(CNC(=O)c2cc[nH]c(=O)c2)n1 151526781 URBPPTYOPPTJEI-UHFFFAOYSA-N 259.265 0.709 0 50 CCAA O=C(NC[C@@]1(O)CCCNC1)NC1CCCCC1 426465204 LRXLTIIXHHDJBL-CYBMUJFWSA-N 255.362 0.733 0 50 CCAA C[C@]1(CC(=O)N2CC(c3cc[nH]c(=N)n3)C2)CCCO1 2325781431 ORQRSKYTDROBPA-CQSZACIVSA-N 276.340 0.774 0 50 CCAA Cn1c(=O)n(C)c2cc(NC(=O)CSCCO)ccc21 4385346 FBBBVBDQXYKRTO-UHFFFAOYSA-N 295.364 0.541 0 50 CCAA C[C@]1(C(=O)NCCSc2cn[nH]n2)CCCCO1 67490673 DUWDEPSOZDYYQV-LLVKDONJSA-N 270.358 0.972 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1Cc1cc(C)c(OC)cc1C 67758650 ONIMFMZTZBDFSP-KBPBESRZSA-N 291.395 0.960 0 50 CCAA Cc1cnc(CNC(=O)CCN2CCCCO2)cn1 20820454 IWOYXUCEGJOXJP-UHFFFAOYSA-N 264.329 0.819 0 50 CCAA O=C(NCCc1ncc[nH]1)[C@@H]1CC(=O)N(C2CCCC2)C1 65425946 SWUIPPRVIQGZJC-LLVKDONJSA-N 290.367 0.860 0 50 CCAA Cc1cccc2nc(NC(=O)CN3CC(=O)NC3=O)[nH]c12 1142084013 QFBHEEMCSLXRMB-UHFFFAOYSA-N 287.279 0.362 0 50 CCAA CN1CCO[C@H](CN(CC(=N)O)C(=O)[C@@H]2CCCOC2)C1 328638168 OZPGBMKVTPYGHI-NEPJUHHUSA-N 299.371 0.107 0 50 CCAA COCCN1CN(C(=O)Nc2ccc(F)cn2)CC1=O 283182992 LWQBYIKRXGMOCB-UHFFFAOYSA-N 282.275 0.501 0 50 CCAA CCOc1ncccc1CN1C[C@@H](C(=O)O)CC1=O 65425594 GWAUVFCOTRIEFW-JTQLQIEISA-N 264.281 0.913 0 50 CCAA COC(=O)[C@H]1CN(C(=O)c2ccccc2)CCC1=O 39223909 PZZCHYLJJBNOAB-NSHDSACASA-N 261.277 0.891 0 50 CCAA C[C@@H](O)C[C@H]1COCCN1C(=O)[C@@H](O)Cc1ccccc1 331059395 MMSDKBDBEMJKED-SNPRPXQTSA-N 293.363 0.588 0 50 CCAA CSCC(=O)N1CCN(Cc2nccn2C)CC1 216431057 OTXBUBUEMRLDOR-UHFFFAOYSA-N 268.386 0.427 0 50 CCAA Cn1nnnc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 331615259 OBJYIIQLWFPGJU-JOYOIKCWSA-N 295.293 0.796 0 50 CCAA O=C(O)CSCc1noc(C(=O)NC2CC2)n1 34924979 YSVVVVSIFNLNDH-UHFFFAOYSA-N 257.271 0.280 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1ccco1 285189340 VHWWAUWQELNMOH-UWVGGRQHSA-N 275.326 0.704 0 50 CCAA O=C(c1ccc(CO)o1)N1CCC(N2CCCC2=O)CC1 71764442 YVRASGFGBMRILI-UHFFFAOYSA-N 292.335 0.999 0 50 CCAA Cn1c(=O)c2c(ncn2CCc2cscn2)n(C)c1=O 287678222 YQBFTOMWLPBMMH-UHFFFAOYSA-N 291.336 0.133 0 50 CCAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(N)n[nH]1 221424302 KEYIVGZAZGTYFZ-JTQLQIEISA-N 279.344 0.465 0 50 CCAA CN1CCC(O)(Cn2cnc3ccc(F)cc3c2=O)CC1 43119848 OVBATDYOCARIHZ-UHFFFAOYSA-N 291.326 0.992 0 50 CCAA Cc1n[nH]c(C)c1CCCNC(=O)CN1CCN(C)C1=O 426707437 NUNYXGBYPPVNBJ-UHFFFAOYSA-N 293.371 0.443 0 50 CCAA Cc1c(C(=O)NC[C@H]2CN(C)CCO2)ccn1C 195152913 RUBXNAMSZOTNHZ-NSHDSACASA-N 251.330 0.394 0 50 CCAA C[C@@H]1CCCC[C@H]1N1CN=C(NS(C)(=O)=O)NC1 40387212 WADAEYJORKFURI-NXEZZACHSA-N 274.390 0.291 0 50 CCAA COCCCNC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O 426549884 GWUMEUIVYUEFKG-LBPRGKRZSA-N 295.339 0.124 0 50 CCAA O=C(c1nc[nH]n1)N1CC[C@@](C(=O)O)(c2ccccc2)C1 426551052 HMGBXXDAHFRKBJ-AWEZNQCLSA-N 286.291 0.673 0 50 CCAA CO[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nnc[nH]1 294149608 HGSZPHLGZOSGRN-VHSXEESVSA-N 267.333 0.904 0 50 CCAA Cc1ccc([C@H](C(=O)NC(C)(CO)CO)N(C)C)cc1 91876399 VHFSCITWDBRWLH-CYBMUJFWSA-N 280.368 0.457 0 50 CCAA OCc1ccc(C[C@H]2CCN(C(CO)CO)C2)cc1 91440251 WVGSTJLUNZOJPE-CQSZACIVSA-N 265.353 0.397 0 50 CCAA CCCCNC(=O)CN(C)c1nc(N)ncc1CC 95364261 CBQYZFGTWHGXNZ-UHFFFAOYSA-N 265.361 0.974 0 50 CCAA CC(C)c1nc(CN2CCN3CCN(C)C(=O)[C@@H]3C2)co1 97301488 OOLUJOALWVRJIM-ZDUSSCGKSA-N 292.383 0.756 0 50 CCAA CC[C@@H](C(=O)N(CCO)Cc1nccn1C)n1cccn1 92046950 UVSNQCUKEHIKIX-LBPRGKRZSA-N 291.355 0.589 0 50 CCAA CSCC(=O)N1C[C@H](CO)C[C@H](CN2CCCC2)C1 91289330 YOESVOWNRMEDFJ-CHWSQXEVSA-N 286.441 0.902 0 50 CCAA CCOCC1(CNC(=O)CN2CCCC2=O)CCC1 534644059 JPMWQQRRFDJDIF-UHFFFAOYSA-N 268.357 0.932 0 50 CCAA O=C(c1n[nH]c2c1CCCC2)N1CCN2C(=O)OC[C@H]2C1 374563101 YJPUCSHYIAFSBS-SECBINFHSA-N 290.323 0.565 0 50 CCAA COCCc1noc(CNC(=O)c2csc(C)n2)n1 299778942 PWNRVVPGPOURNM-UHFFFAOYSA-N 282.325 0.953 0 50 CCAA CC(C)n1ccnc1CNC(=O)CN1CCC[C@H](O)C1 828627357 HPKHNZWCNIMMEQ-LBPRGKRZSA-N 280.372 0.537 0 50 CCAA c1n[nH]cc1O[C@@H]1COC[C@@H]1NCc1cnn2c1CCC2 685940784 IFNPIIMUGMLSHL-GXTWGEPZSA-N 289.339 0.488 0 50 CCAA O=C(C[C@@H]1CNC[C@H]1O)Nc1c[nH]nc1C(F)(F)F 1875401709 PQCKRXSHZVYTQH-IYSWYEEDSA-N 278.234 0.337 0 50 CCAA N[C@H]1COC[C@H]1Oc1cnn(Cc2cc(C3CC3)no2)c1 952851086 FCODCYAVGUXNOS-GXTWGEPZSA-N 290.323 0.902 0 50 CCAA O=C(NS(=O)(=O)[C@H]1CCOC1)[C@@H]1CC[C@@H]2C[C@@H]21 1875290996 LBTHEYHNFIIHPF-RGOKHQFPSA-N 259.327 0.267 0 50 CCAA O=C(CC1CCCC1)NCC1CCN(C[C@H](O)CO)CC1 952963056 HJBPGRPRZFLBSV-HNNXBMFYSA-N 298.427 0.748 0 50 CCAA Cc1cc(C(=O)NC[C@@](C)(O)CCCO)nc(C)n1 952985476 BVRBRWJMYNNMEX-ZDUSSCGKSA-N 267.329 0.347 0 50 CCAA O=C(NCc1cccc(F)c1F)NC[C@H]1CCNC[C@@H]1O 1565512225 MYFSRVHEHOTMKV-SKDRFNHKSA-N 299.321 0.734 0 50 CCAA O=C1CCCN1[C@@H]1CCN(c2ncnc3nc[nH]c23)C1 276847198 XGNVZXUYBQEFEH-SECBINFHSA-N 272.312 0.554 0 50 CCAA CS(=O)(=O)NC(=O)c1ccccc1-c1cncnc1 169995028 YBVTVSMOSCVTFJ-UHFFFAOYSA-N 277.305 0.833 0 50 CCAA O=C(c1cnns1)N(C[C@@H]1CCCN1)C1CC1 186533076 UHBDIIIMNIEMMX-QMMMGPOBSA-N 252.343 0.895 0 50 CCAA C[C@H](C(=O)NC(N)=O)N1CCOc2ccccc2C1 170637322 DOUQWBLJTLNSOS-SECBINFHSA-N 263.297 0.464 0 50 CCAA COc1cc(N2C[C@H](C)O[C@]3(CCOC3)C2)ncn1 280283495 PWEHNBFGMNVPIB-GXFFZTMASA-N 265.313 0.869 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)[C@H]2COCCO2)C(C)(C)C1 408127610 XFKDYQXKODAEAJ-LLVKDONJSA-N 299.371 0.006 0 50 CCAA CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)[C@H]1CC1(C)C 408360203 YOBINQLWGRPJOO-UWVGGRQHSA-N 276.402 0.817 0 50 CCAA CN(C)C[C@H]1CN(c2nc(=N)[nH]c3c2CCCC3)CCO1 645164196 GROIVWROWURTKW-NSHDSACASA-N 291.399 0.535 0 50 CCAA Cc1cnccc1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1 568048338 KGORMZVLHMKLTP-LLVKDONJSA-N 286.339 0.908 0 50 CCAA COc1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)ccc1F 659175009 SRSZLHFQFYUFGT-KOLCDFICSA-N 283.255 0.806 0 50 CCAA CC(=O)NCC(=O)Nc1ccnn1C1CCN(C)CC1 1506423639 YTNKBLSLHABBMU-UHFFFAOYSA-N 279.344 0.224 0 50 CCAA O=C(O)c1nccnc1NC[C@@H]1CC(=O)N(C2CC2)C1 1506422635 FATIFVDSDAHQKD-QMMMGPOBSA-N 276.296 0.598 0 50 CCAA Cc1nn(C)cc1NC(=O)CN1CCc2n[nH]cc2C1 1506398890 GZGOIIRJAXGKKJ-UHFFFAOYSA-N 274.328 0.448 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2O)on1 1529172754 HTOVGKIYAATBSD-ZWNOBZJWSA-N 275.308 0.987 0 50 CCAA Cc1cc(C(N)=O)c(NCCn2ccnn2)nc1C 1704339279 PXMJWNMEEWLDEN-UHFFFAOYSA-N 260.301 0.501 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@H]2C(=O)NCCO[C@H]2C1 110915141 FBRBZYFZIPKRBL-ZJUUUORDSA-N 270.329 0.758 0 50 CCAA in-vitro COC(=O)C1(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)CC1 342523425 URGCLBMZQPMJJW-ZJUUUORDSA-N 255.314 0.823 0 50 CCAA Cc1nc(N2C[C@@H]3CNC[C@]3(CO)C2)c2ccccc2n1 1772710381 UREHDOCLFBHRRW-BLLLJJGKSA-N 284.363 0.956 0 50 CCAA Cc1nsnc1C(=O)N1CCC2(CC1)CN(C)CCO2 1772813207 VHQBIWJFAUEFSD-UHFFFAOYSA-N 296.396 0.783 0 50 CCAA CCN(CC)C(=O)CSc1nc(N)cc(=O)[nH]1 18207959 GVLGYMNNHQFLQC-UHFFFAOYSA-N 256.331 0.313 0 50 CCAA Cn1nc(C(=O)O)nc1N1CCN[C@H](c2ccccc2)C1 1857678811 SAOGELZPDVSZNA-NSHDSACASA-N 287.323 0.664 0 50 CCAA OC[C@H]1CCN(Cc2nnc(-c3cccnc3)o2)C[C@@H]1O 1857713505 YNWRARXMTLKYTG-NEPJUHHUSA-N 290.323 0.307 0 50 CCAA O=C(NCc1nc2ncccc2o1)[C@H]1CCc2ncnn2C1 1857727862 CQCXNKUAVRJIGV-VIFPVBQESA-N 298.306 0.693 0 50 CCAA NC(=O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O 1569472 JMKLVQRQCLMCIN-VIFPVBQESA-N 276.248 0.001 0 50 CCAA in-vitro O=C(O)[C@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 4743903 WWVCWLBEARZMAH-GHMZBOCLSA-N 265.265 0.843 0 50 CCAA in-vitro O=CN1CCCN(C[C@@H](O)COc2ccc(F)cc2)CC1 253426148 YGQLPEZXQZQPEX-CQSZACIVSA-N 296.342 0.730 0 50 CCAA CN1CCC[C@]2(CO)CCN(C(=O)Cn3cccc3)C[C@@H]12 1704300167 YZLZLGUYKXIPNY-GDBMZVCRSA-N 291.395 0.793 0 50 CCAA C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)C(=O)O 909148073 JEEQPDSJUWBEGT-MRVPVSSYSA-N 266.301 0.335 0 50 CCAA O=S1(=O)CCC[C@H]1CN1CCC(Cn2cncn2)CC1 828395564 MZRJBSAZLVVFHA-ZDUSSCGKSA-N 298.412 0.567 0 50 CCAA CCN(Cc1cnn(CCF)c1)[C@@H]1CCNC1=O 930325374 NUNRSBIZDHFNAZ-LLVKDONJSA-N 254.309 0.563 0 50 CCAA CNC(=O)CNC(=O)Cc1ccc2cnccc2c1 1124848433 GDSOASQKCXDYFW-UHFFFAOYSA-N 257.293 0.640 0 50 CCAA NC[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)CCO1 111184190 VCIBECYRKVTFEG-DGCLKSJQSA-N 276.336 0.739 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)[C@H]1COc2ccccc2O1 263290751 MBUOAJHYBWSWHP-VDDIYKPWSA-N 277.276 0.806 0 50 CCAA O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@H](CO)C1 51884705 OARGISZECRKDJD-VIFPVBQESA-N 273.292 0.378 0 50 CCAA CNC(=O)CN1CCN(C(=O)N2CCC(C)CC2)CC1 335832800 SPJHVNXMIPLOFE-UHFFFAOYSA-N 282.388 0.202 0 50 CCAA CCOCCN(C)S(=O)(=O)c1ccc(N)cc1 127362664 AKNNRPPWWWILCI-UHFFFAOYSA-N 258.343 0.926 0 50 CCAA Cc1nc2c(nnn2Cc2ccccc2)c(=O)n1C 119184 DISOCJDLQNPMRG-UHFFFAOYSA-N 255.281 0.882 0 50 CCAA CN1Cc2c(NC(=O)[C@H]3C=CCN3)cccc2C1=O 2325890777 UZRBEAQIUHHCJS-GFCCVEGCSA-N 257.293 0.739 0 50 CCAA O=C(N[C@@H]1CCNC1)c1ccc(-c2cn[nH]c2)cn1 876511090 WBAMMHKNJUJETA-LLVKDONJSA-N 257.297 0.563 0 50 CCAA O=C(NCc1cccnc1)C(=O)NCc1cccnc1 1863075 BNXGAGLVOASELG-UHFFFAOYSA-N 270.292 0.409 0 50 CCAA Cc1cncc(N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)n1 2356144051 HOMYPNQUVHYDMM-UONOGXRCSA-N 293.367 0.656 0 50 CCAA CCCS(=O)(=O)N1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 229428888 MCYZUWUCTLKZFG-DCAQKATOSA-N 274.386 0.845 0 50 CCAA CS(=O)(=O)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100803346 SQEPXEYASAOAHF-RWMBFGLXSA-N 270.398 0.776 0 50 CCAA CC[C@@H](COC)NC1CCN(c2nccn(C)c2=O)CC1 328635313 NGWRCPZGBQNDPQ-LBPRGKRZSA-N 294.399 0.764 0 50 CCAA Cn1cc(CCC(=O)N2CCOC[C@]23CCOC3)cn1 328732470 XLKTWDGZIYXMLY-CQSZACIVSA-N 279.340 0.371 0 50 CCAA Cc1ccc([C@@H](O)CNC(=O)[C@@H]2CNCCO2)cc1 151916528 ZKNXHJSSIKRPGS-STQMWFEESA-N 264.325 0.133 0 50 CCAA COCCN1CC[C@H](CNC(=O)Cn2cc(C)cn2)C1 68477525 VCVCMDISLSKKJW-CYBMUJFWSA-N 280.372 0.276 0 50 CCAA CC[C@@H](NC(=O)c1ccc(=O)n(C)n1)[C@@H](O)C(F)(F)F 330544446 BJMZVSLPIDLDMM-HZGVNTEJSA-N 293.245 0.212 0 50 CCAA CCN(C(=O)c1ccc2nncn2c1)[C@@H]1CCNC1=O 441532706 XEUZKGOXBDAHEE-SNVBAGLBSA-N 273.296 0.080 0 50 CCAA Cn1cc(N2CCC[C@H](NC(=O)c3cnns3)C2)cn1 154076380 HHRAVOXSCJREHX-VIFPVBQESA-N 292.368 0.670 0 50 CCAA COC(=O)[C@H]1CCc2nnc(Cc3ccccn3)n2C1 260394274 XJJDHFBUOQGSTL-JTQLQIEISA-N 272.308 0.999 0 50 CCAA CNC(=O)C1(C(=O)N2CCC[C@H]([C@H](C)N)C2)CC1 156304655 RGUUUENOBBBPKO-UWVGGRQHSA-N 253.346 0.098 0 50 CCAA NCCn1cc(C(=O)NCCc2c[nH]c3ccccc23)nn1 77436676 HEMMOVJWYCUWAJ-UHFFFAOYSA-N 298.350 0.691 0 50 CCAA O=c1c2ccc(F)cc2ncn1CCN1CCOCC1 43135954 ZBHMHVBHXRKUDR-UHFFFAOYSA-N 277.299 0.868 0 50 CCAA Cc1cccn2c(CC(=O)N[C@@H]3COCC[C@H]3O)cnc12 223492569 HXSJPBKNVVFBTD-CHWSQXEVSA-N 289.335 0.451 0 50 CCAA Cc1nc(O)c(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(C)c1C 426545412 PARZBQHJYXXQOE-QMMMGPOBSA-N 296.279 0.370 0 50 CCAA CC(=O)NC(C)(C)C(=O)N[C@@H]1CCc2c[nH]nc2C1 426622860 APSXGDWBTMWOTH-SNVBAGLBSA-N 264.329 0.298 0 50 CCAA CN(CCNC(=O)C1Cc2ccccc2C1)S(C)(=O)=O 426477599 RILOWUXVBIPXGX-UHFFFAOYSA-N 296.392 0.409 0 50 CCAA O=C(NCc1c(F)cccc1F)N[C@H]1CNCC[C@H]1O 426382726 NVAZFIDWJIYUCF-NWDGAFQWSA-N 285.294 0.487 0 50 CCAA COC[C@@H](O)CNC(=O)c1cnc(-c2ccccn2)nc1 426628730 HKFMUWZKGAUISK-NSHDSACASA-N 288.307 0.276 0 50 CCAA CNC(=O)C[C@@H](C)N(C)Cc1cc(=O)n2nc(C)cc2[nH]1 334159709 UVQRIJYBWBHGBH-SNVBAGLBSA-N 291.355 0.287 0 50 CCAA CN1CCN(c2nc(Br)nn2C)CC1 524728981 CPDABQQWTQCHMH-UHFFFAOYSA-N 260.139 0.329 0 50 CCAA CC[C@@H](C)[C@H](CO)NC(=O)C1(n2cnnn2)CCCCC1 252494706 OCIXMZNNDUMQOZ-NEPJUHHUSA-N 295.387 0.856 0 50 CCAA CN(CCn1ccnc1)C(=O)NCCCc1cnn(C)c1 534577178 MFLZJXFKGMDFFH-UHFFFAOYSA-N 290.371 0.891 0 50 CCAA CCC[C@@H](NC(=O)N1CCNC(=O)CC1)c1nccn1C 534652387 OFAQXUXUAKDGQW-LLVKDONJSA-N 293.371 0.793 0 50 CCAA O=C(c1ccncc1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299755852 AACKQHHQDYVICT-STQMWFEESA-N 285.307 0.659 0 50 CCAA Cc1cc(NCc2cc(C(=O)O)n[nH]2)n2ncnc2n1 1875290069 OWEZHMXYAZSCPH-UHFFFAOYSA-N 273.256 0.466 0 50 CCAA NC(=O)CN1CCC(c2ncnn2CC(F)(F)F)CC1 826838678 CFDXPGFSLOKUOT-UHFFFAOYSA-N 291.277 0.505 0 50 CCAA COC[C@H](O)CNC(=O)NCCSCC1CC1 1875252767 NDGMJMBJQSZEBU-SNVBAGLBSA-N 262.375 0.436 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(F)c(O)c2F)C[C@@H](CO)O1 1875293627 WYEJDGCWXNLIBG-YUMQZZPRSA-N 287.262 0.892 0 50 CCAA CC(C)[C@H](OC[C@H]1CCCO1)C(=O)N1CCOCCN1 1875267867 IRMMYYWQJPMGFO-OLZOCXBDSA-N 286.372 0.570 0 50 CCAA O=C(Cc1nc[nH]n1)N1CC[C@@]2(c3cccnc3)C[C@@H]2C1 1875329078 CYVXYASAHZWBQZ-DOMZBBRYSA-N 283.335 0.932 0 50 CCAA O=C1C[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)CN1 1772994951 ZELGFMCFSASMNG-CQSZACIVSA-N 285.307 0.082 0 50 CCAA CN(C)c1n[nH]c(CNCc2cccc(F)c2N)n1 1308558433 PFUABBQSHZNODW-UHFFFAOYSA-N 264.308 0.882 0 50 CCAA CCOC(=O)C12CC(CN)(C1)OC21CCOCC1 1535645743 IWDZZVPYWZIQFI-UHFFFAOYSA-N 255.314 0.607 0 50 CCAA CC1(C)C[C@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)O1 272520441 RUKCCXPZXBDIKR-QMMMGPOBSA-N 292.339 0.651 0 50 CCAA O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccccc1 547882790 PJVADEBPQFEUQG-CMPLNLGQSA-N 299.348 0.845 0 50 CCAA CN(Cc1nccn1Cc1ccccc1)C(=O)C(=O)O 170596124 MUDYTFIEBLOHLR-UHFFFAOYSA-N 273.292 0.974 0 50 CCAA CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H]2CO)c1 170606623 KSIWGRCZLCGKQE-JQWIXIFHSA-N 298.364 0.048 0 50 CCAA CC(C)(C)OC(=O)N1CCc2nc(N)[nH]c(=O)c2C1 95093278 BNNJUQHXJUNHCU-UHFFFAOYSA-N 266.301 0.645 0 50 CCAA in-vitro CC(C)(C)n1[nH]cnc1=NC(=O)[C@]1(C)CCCO1 407992112 ZGEFPBHBFMBTCP-LBPRGKRZSA-N 252.318 0.963 0 50 CCAA CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](C)[C@H](C(N)=O)C1 408046719 CWUPOEQGYBTYTJ-OUAUKWLOSA-N 255.362 0.295 0 50 CCAA CO[C@@H](C)CS(=O)(=O)Nc1cc(Cl)[nH]n1 585086430 ZZIROYNVPAMIQA-YFKPBYRVSA-N 253.711 0.840 0 50 CCAA CN1CC[C@](N)(c2nc(C3(N)CCCC3)no2)C1 647138201 XFRZMLPAXARYFD-GFCCVEGCSA-N 251.334 0.287 0 50 CCAA CN(C(=O)[C@H]1CCc2nnnn2CC1)c1ccn(C)n1 651760676 LVELFYJJRVZKBO-VIFPVBQESA-N 275.316 0.022 0 50 CCAA O=S(=O)(CCN1C[C@@H](O)[C@H](F)C1)c1ccccc1 1506423976 HAKXGXYMHJJZEM-VXGBXAGGSA-N 273.329 0.475 0 50 CCAA CC[C@@H]1CN(C(=O)NCCC(=O)O)CCN1C(C)C 1506400243 VMNHHDMYXXAQCL-LLVKDONJSA-N 271.361 0.975 0 50 CCAA Cc1nc[nH]c1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529187536 UTXAMXQBFJHRFZ-BXUZGUMPSA-N 273.340 0.544 0 50 CCAA C[C@@H](C(=O)NC1CCCC1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1529146318 MQRGDOCTRQJBMN-OBORUHMCSA-N 296.411 0.497 0 50 CCAA CC(C)N(Cc1cnn(C)c1)C[C@H]1CN(C)CC[C@@H]1O 206697815 BFWAEQRHGISHFW-CABCVRRESA-N 280.416 0.943 0 50 CCAA O=C(N[C@@H](CCO)C(=O)O)OCc1ccccc1 6580123 UBXPAGGJJMSWLC-JTQLQIEISA-N 253.254 0.748 0 50 CCAA in-vitro CN1C[C@@H](CN2CCC(CCC(N)=O)CC2)CCC1=O 1775981919 KIWYZHCLDMFDIG-ZDUSSCGKSA-N 281.400 0.832 0 50 CCAA CC(C)CC(=O)N1CCN(CC[C@H]2COCCO2)CC1 1775981372 RITMQKBJDLAUSB-AWEZNQCLSA-N 284.400 0.982 0 50 CCAA CC[C@@]12COC(=O)N1CCN(C(=O)c1ccc(=N)[nH]c1)C2 1857675055 IZTUFTJHZNVGQA-CQSZACIVSA-N 290.323 0.551 0 50 CCAA CC[C@]12COC(=O)N1CCN(Cc1cc(O)nc(C)n1)C2 1857703965 XUBUWIGXZRFYOJ-AWEZNQCLSA-N 292.339 0.907 0 50 CCAA Cc1cccnc1NCCNC(=O)[C@H]1CC[C@H](N)[C@@H](O)C1 1857732549 VSWQCJCQRSEVER-AVGNSLFASA-N 292.383 0.406 0 50 CCAA Cn1nccc1C(=O)N1CCNC(=O)[C@H]1c1ccccc1 225523420 ZYUUVFIWDLQQKH-CYBMUJFWSA-N 284.319 0.733 0 50 CCAA NC(=O)c1ccc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cn1 332356735 UGHKPNQJZJLODE-LLVKDONJSA-N 299.334 0.923 0 50 CCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(c1ncccn1)C2 247849669 OECOFPLPKQJHRV-NEPJUHHUSA-N 276.340 0.550 0 50 CCAA Cn1nc(C(=O)NC[C@@H]2CNCCO2)cc1C1CC1 562981464 MJAWBEJUUXZLAM-JTQLQIEISA-N 264.329 0.016 0 50 CCAA COc1ccc(C(=O)N[C@H]2CCc3nc(C)nn3C2)cn1 263943930 YBVRWIHQQZXCFH-NSHDSACASA-N 287.323 0.735 0 50 CCAA Cc1cc(N)ccc1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2 1875291863 NXUXKBQEWVPVLP-TXEJJXNPSA-N 281.381 0.702 0 50 CCAA CC[C@H](C(=O)N1CCCNC(=O)[C@H]1CC)N1CCCC1=O 906449177 OQNUFPOBNATZOY-VXGBXAGGSA-N 295.383 0.515 0 50 CCAA CS(=O)(=O)C[C@H]1CCCN(C(=O)NC2CC2)C1 310445938 UIMVFTOJKIOUCJ-VIFPVBQESA-N 260.359 0.615 0 50 CCAA COCCOCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 77378503 LSNKVEGIWXFJJI-NSHDSACASA-N 267.329 0.779 0 50 CCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cccc(C)n1 696199803 VTMAMSMYKOYLTC-VXGBXAGGSA-N 270.354 0.292 0 50 CCAA Cn1cc(N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cn1 929764547 RACKWAOKHXMGQP-ZDUSSCGKSA-N 298.412 0.119 0 50 CCAA Cn1[nH]c(=NC(=O)[C@H]2CCC(=O)N2)cc1C1CCCC1 2325796877 ZTDICHLVKVWZMO-SNVBAGLBSA-N 276.340 0.717 0 50 CCAA NS(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12 40263 AURMEEFBWOAKLU-UHFFFAOYSA-N 267.262 0.891 0 50 CCAA COc1ccccc1OCC(=O)N[C@H](C)C(=O)O 190744 FPENGYPIIVADIX-MRVPVSSYSA-N 253.254 0.663 0 50 CCAA O=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O 230289 IVYVLEQZZGWQTF-UHFFFAOYSA-N 287.293 0.111 0 50 CCAA CS(=O)(=O)N(CC(=O)NC1CC1)c1ccccc1 454291 ARBGXFNIHCNDKU-UHFFFAOYSA-N 268.338 0.731 0 50 CCAA Cc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)o1 2943198 YRQNYZVVLXFYFX-SSDOTTSWSA-N 255.226 0.636 0 50 CCAA CCc1oc(C(=O)N2CNC(=O)C2)cc1CN1CCCC1 55284670 VURPOTSCTPOASI-UHFFFAOYSA-N 291.351 0.967 0 50 CCAA COc1ccccc1CC(=O)NCc1nnc(N)s1 20201553 LLWARDKIMSMAGE-UHFFFAOYSA-N 278.337 0.988 0 50 CCAA NC(=O)[C@]1(O)CCCN(CC[S@@](=O)c2ccccc2)C1 346593746 UCCWCCOYSZLAIJ-VBKZILBWSA-N 296.392 0.106 0 50 CCAA Cc1cnccc1-n1nc(C2CC2)nc1Cn1cnnn1 65500030 SWPCNSFUFVTSEY-UHFFFAOYSA-N 282.311 0.883 0 50 CCAA CCN(CCC(=O)O)C(=O)[C@@H]1CCN(C)C(=O)C1 137947905 UOZOCTVJGVVXNV-SECBINFHSA-N 256.302 0.178 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NCCCN1CCOCC1 66776346 BDPVXBWXRFBFSV-UHFFFAOYSA-N 280.372 0.408 0 50 CCAA CNC(=O)c1ccc(N2C[C@@H](COC)OC(C)(C)C2)nn1 285238429 YLBFOMALHCQVLE-JTQLQIEISA-N 294.355 0.466 0 50 CCAA O=C([C@@H]1C[C@]12CCOC2)N1CCC[C@H]1Cn1ccnn1 329015171 JSRBHYXRDLQSFA-OBJOEFQTSA-N 276.340 0.696 0 50 CCAA CC(C)(C)[C@@H]1CN(C(=O)CCn2ccnn2)CCO1 330429543 LWRGJQRVXGEKKT-NSHDSACASA-N 266.345 0.942 0 50 CCAA NC(=O)[C@H]1CN(Cc2cnc(-c3ccccn3)nc2)CCO1 215713340 SAEIFQIFGDWBJF-CYBMUJFWSA-N 299.334 0.225 0 50 CCAA Cn1cc(C(N)=O)cc1C(=O)NC(C)(C)CCC(=O)O 237874579 ZKWKRQWKGKLTFX-UHFFFAOYSA-N 281.312 0.497 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCC[C@H]1Cn1ccnn1 374770922 IHGYXHBOXAWFLN-LBPRGKRZSA-N 291.355 0.352 0 50 CCAA Cc1ccc(NCCCNC(=O)N2CCN[C@H](C)C2)nc1 417072236 XAYSQMOILQWYHX-CYBMUJFWSA-N 291.399 1.195 0 50 CCAA Cn1nccc1CCC(=O)N1CCOC[C@@H]1CC(=O)O 263229355 AOXLDEIDOSJRFO-NSHDSACASA-N 281.312 0.055 0 50 CCAA Cn1nncc1CC(=O)N1CCC(C(F)F)CC1 612534256 UZNHUTWFOROFAJ-UHFFFAOYSA-N 258.272 0.861 0 50 CCAA CC(C)Cc1cc(CNC(=O)CN2CCC[C@@H](O)C2)on1 221355206 RFJSBOWMCGMUCP-CYBMUJFWSA-N 295.383 0.946 0 50 CCAA Cc1ccc(C(=O)N2CCOCC2)c(-n2cnnn2)c1C 44889636 QZNMAWQSQVJBRF-UHFFFAOYSA-N 287.323 0.752 0 50 CCAA CN(C)[C@@H]1[C@@H](NC(=O)c2n[nH]c(N)c2Cl)[C@H]2CCO[C@H]21 220226165 VZLIPQMIOXLOAT-NXZMPTJDSA-N 299.762 0.093 0 50 CCAA CC(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 82230647 IOOOCHQHCBRHHV-UHFFFAOYSA-N 263.345 0.520 0 50 CCAA Cc1ccc(C(=O)N(C)[C@H]2CCNC2)cc1S(C)(=O)=O 179070936 KTOZIBLKDNALKA-LBPRGKRZSA-N 296.392 0.832 0 50 CCAA Cc1ccc(C(=O)N[C@H]2CCOC2)cc1S(C)(=O)=O 179047131 HNKBTJQMRZEQNR-NSHDSACASA-N 283.349 0.917 0 50 CCAA CC(C)(F)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 236773125 CAUCBCSJZVILQU-RYUDHWBXSA-N 299.390 0.841 0 50 CCAA O=C(NCc1nc2ccc(F)cc2[nH]1)N1CC[C@@H](O)C1 426674031 ALVQUPRXYDONKC-SECBINFHSA-N 278.287 0.978 0 50 CCAA CCO[C@H]1CN(CC)C[C@@H]1NC(=O)c1cc(=O)cc(C)[nH]1 426477903 AEJSUYRWRXLHJC-KBPBESRZSA-N 293.367 0.522 0 50 CCAA Cc1noc([C@H](C)N(C)Cc2cn[nH]c2C(=O)O)n1 97743386 WPYUFKZRCZDRJQ-LURJTMIESA-N 265.273 0.992 0 50 CCAA CSCCc1nc([C@@H]2COCCO2)n(CCO)n1 96152763 GGLHZKGPQUJQLW-VIFPVBQESA-N 273.358 0.264 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@]23C=C[C@]12CC=CC3 248063135 VCYLHQAOXOQRAP-UOVKNHIHSA-N 269.304 0.907 0 50 CCAA OCC(CO)N[C@H]1C[C@@H](c2cc(O)nc(C3CC3)n2)C1 253534979 ABKCLXSTRFIQEQ-AOOOYVTPSA-N 279.340 0.248 0 50 CCAA COC[C@H]1CN(C(=O)[C@@H](N)c2ccccc2)CCO1 299753636 YVWYRRYUWIEELR-OLZOCXBDSA-N 264.325 0.560 0 50 CCAA CSc1ncc(CNC(=O)[C@H]2C=CCN2)n1C 534655159 WCVVJFQPYMRDCU-SECBINFHSA-N 252.343 0.286 0 50 CCAA Cc1nonc1CC(=O)N=c1cc(-c2ccco2)[nH][nH]1 1940197194 YIQPXCUESPWXGQ-UHFFFAOYSA-N 273.252 0.964 0 50 CCAA CC(C)(CC(=O)N[C@@H]1CNC[C@H]1O)c1ccccc1 299763138 GWLVGLGFYBPNQZ-CHWSQXEVSA-N 262.353 0.803 0 50 CCAA Cn1c(CO)nnc1C1CCN([C@H]2CCOC2)CC1 828839043 ASVGGFBSPHUTTI-NSHDSACASA-N 266.345 0.276 0 50 CCAA CN(C)C(=O)C1(C)CCN(C(=O)c2cncn2C)CC1 584886651 RCICCIQTAGLNDL-UHFFFAOYSA-N 278.356 0.751 0 50 CCAA O=C(CCCn1cnnn1)N[C@@H](CO)c1ccc(F)cc1 670448713 LJBUOBBELGNNAO-LBPRGKRZSA-N 293.302 0.442 0 50 CCAA CCNC(=O)[C@H]1CCN(C(=O)CN(C)C2CCCC2)C1 670472351 GIIABASPWFNNHX-LBPRGKRZSA-N 281.400 0.845 0 50 CCAA Cc1ncnc(N2CCN(CC(F)(F)CO)CC2)c1F 1548451853 LUXGFMKOQGTKCB-UHFFFAOYSA-N 290.289 0.674 0 50 CCAA CS(=O)(=O)Nc1ccc([C@@H]2C[C@@H](N)CCN2)cc1 757208859 DZTFKLTVCIFNKK-JQWIXIFHSA-N 269.370 0.810 0 50 CCAA C[C@H]1N(C(=O)C(=O)N2CCC[C@@H](CN)C2)CCC1(C)C 1875286405 SQBKOHVACUNXRW-NEPJUHHUSA-N 281.400 0.831 0 50 CCAA Cc1sc(CNC(=O)[C@H](O)C(C)C)nc1C(=O)O 1875291617 GETAJWDVYNUELN-SECBINFHSA-N 272.326 0.783 0 50 CCAA O=C(c1cc(O)cc(=O)o1)N1C[C@@H]2C[C@@H](CO)C[C@@H]21 1875296034 WFXSRZIXCZAXBE-WEDXCCLWSA-N 265.265 0.188 0 50 CCAA CN(C)CC[C@@H]1CCN(c2nccnc2C(N)=O)C1 895325932 WBUDHEVFCUAHII-SNVBAGLBSA-N 263.345 0.354 0 50 CCAA COC[C@H](O)CN[C@@H]1COc2cc(F)ccc2C1 1346339370 LLTCBDJUJFPHIF-NWDGAFQWSA-N 255.289 0.726 0 50 CCAA CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 51971688 JHBUFXKTKCCCKA-RKDXNWHRSA-N 259.302 0.777 0 50 CCAA in-vitro O=C(O)[C@H]1CN(S(=O)(=O)C2CC2)C[C@@H]1c1ccccn1 1565515844 HULKEWUVRBVAHX-QWRGUYRKSA-N 296.348 0.674 0 50 CCAA CNC(=O)C1CN(C(=O)CCc2nccs2)C1 274415028 WVGULYOYWLQOPN-UHFFFAOYSA-N 253.327 0.280 0 50 CCAA CO[C@H]1CN(C(=O)c2cnn3c2CCC3)[C@@](C)(CO)C1 634071155 QSYKVXIZDKSLSM-QMTHXVAHSA-N 279.340 0.441 0 50 CCAA C[C@H]1CN(C(=O)c2ncccc2O)CC[S@@](=O)C1 408394474 KKLXGGMOVFYOPM-NIVTXAMTSA-N 268.338 0.628 0 50 CCAA COCCOc1cccc(C(=O)N[C@H](CO)[C@@H](C)O)c1 412422891 XBNFYUYMBNPEIZ-ZWNOBZJWSA-N 283.324 0.183 0 50 CCAA CC(C)N1CCC[C@@H](N[C@@H]2C(=O)NCC[C@H]2C)C1=O 193623741 LEUFXQDKGCAWTM-UTUOFQBUSA-N 267.373 0.500 0 50 CCAA C[C@H](CS(C)(=O)=O)NCC(F)(F)C(F)F 194881091 PUENEBOEFFEJIX-RXMQYKEDSA-N 251.245 0.910 0 50 CCAA c1nc(N2CC[C@]3(CCCNC3)C2)c2c[nH]nc2n1 569560283 FGOPBVBSIDCDHH-ZDUSSCGKSA-N 258.329 0.933 0 50 CCAA O=C1CC[C@H](NC(=O)c2cnccn2)[C@@H]([C@H]2CCCO2)N1 579656314 HJLPMEXEQUOZKH-NDMJEZRESA-N 290.323 0.033 0 50 CCAA CNC(=O)NC(=O)COC(=O)[C@@H](O)[C@@H](C)c1ccccc1 584907046 QLLZTHQFFHQRMB-CABZTGNLSA-N 294.307 0.150 0 50 CCAA O=C(c1ccco1)N1CCCN(C(=O)[C@@H]2C=CCN2)CC1 1506418909 URHZGESYWKQXSX-LBPRGKRZSA-N 289.335 0.482 0 50 CCAA CNc1nc(C(N)=O)c(NC(=O)[C@@H]2CCCCN2)s1 1529197228 MCHATRMGNQQVPL-LURJTMIESA-N 283.357 0.364 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3[nH]cnc3C)C[C@H]2O)n[nH]1 1704354378 CZVUKRJGSGZAIX-ZYHUDNBSSA-N 289.339 0.425 0 50 CCAA CC[C@@H](C(=O)N(CCO)Cc1cnc(C)[nH]1)n1cccn1 1704353521 OJYARIREFWDIJD-ZDUSSCGKSA-N 291.355 0.887 0 50 CCAA C[C@@]1(NC(=O)c2ccoc2)CCOC2(CCNCC2)[C@H]1O 1704337460 ZUBJAJNZDVAODD-UONOGXRCSA-N 294.351 0.672 0 50 CCAA CN1C[C@]2(CCCN(c3cncc(N)n3)C2)OC1=O 1857678580 ODZXJUCRNQUZQL-LBPRGKRZSA-N 263.301 0.480 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)[C@H]1CCCOC1 128211037 KTGGAYRSQUVXNK-UWVGGRQHSA-N 257.286 0.115 0 50 CCAA C[C@@H](C(N)=O)[C@](O)(Cn1cncn1)c1cc(F)ccc1F 144692595 ARTKJILLNLYJNZ-ISVAXAHUSA-N 296.277 0.566 0 50 CCAA in-vitro Cn1ccc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)n1 1615554474 LICVKCAAEXQGLN-GHMZBOCLSA-N 288.273 0.692 0 50 CCAA CN(CC(=O)N1C[C@H](O)C[C@H]1CO)c1ccccc1 679112757 REACMCIFBCURBP-QWHCGFSZSA-N 264.325 0.077 0 50 CCAA CCCCS(=O)(=O)N1C[C@H]2CCN(C)C(=O)[C@H]2C1 1772813880 YUNFBUDMLFDJEF-MNOVXSKESA-N 274.386 0.526 0 50 CCAA Cn1nccc1CCC(=O)NCc1[nH]nc2ncccc12 1772803934 AZKRHQKEAMTSFM-UHFFFAOYSA-N 284.323 0.940 0 50 CCAA COC(=O)c1nc(Br)[nH]c1C(=O)OC 15021582 JMXUWJPKHDKROF-UHFFFAOYSA-N 263.047 0.745 0 50 CCAA COCCCNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 16652250 VIALJPRWNQVTSR-VXGBXAGGSA-N 294.351 0.480 0 50 CCAA O=C1C[C@H](Cn2ccnc2[C@@H]2[C@H]3CNC[C@H]32)CN1C1CC1 1857730515 VENZNNHJOMYFEV-PBOSXPJTSA-N 286.379 0.827 0 50 CCAA O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1CO 404089 WDEQGLDWZMIMJM-NWDGAFQWSA-N 251.282 0.751 0 50 CCAA in-vitro COCCn1cc(CNC(=O)N[C@@H]2CCCOCC2)cn1 331511401 MUOMDUGVWLHOGS-CYBMUJFWSA-N 296.371 0.898 0 50 CCAA CCNC(=O)CNC(=O)[C@@](C)(O)CCc1ccccc1 240555797 GXHKXAHTYOPSLW-HNNXBMFYSA-N 278.352 0.623 0 50 CCAA COc1ccccc1S(=O)(=O)N[C@@H]1C(=O)NCC1(C)C 660016228 YPFVSPKSVNVJBL-LLVKDONJSA-N 298.364 0.498 0 50 CCAA C[C@@]1(CO)C[C@H](O)CN1C(=O)c1ncoc1C1CC1 888092027 SASRWSDBJRLYHC-ZANVPECISA-N 266.297 0.510 0 50 CCAA CCOc1ccc(S(=O)(=O)NC2CC2)cc1C(N)=O 1428355 HEZJNTOJEBNUAK-UHFFFAOYSA-N 284.337 0.625 0 50 CCAA Cc1nc2c([nH]1)[C@H](C(=O)N[C@]1(C(=O)O)CCOC1)CCC2 2325829914 WBXSECURSMDMBI-YMTOWFKASA-N 293.323 0.498 0 50 CCAA COC(=O)[C@H]1OC(c2ccccc2)O[C@@H]1C(=O)OC 120398 FMSYNRGOFIGJMM-UWVGGRQHSA-N 266.249 0.815 0 50 CCAA CCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 192094 VGFFHBADFGHZQK-UHFFFAOYSA-N 287.117 0.596 0 50 CCAA O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 2959000 ZZIMLJHFZLQGRM-JTQLQIEISA-N 292.291 0.649 0 50 CCAA C[C@@]12C(=O)N(NC(=O)c3ccncc3)C(=O)[C@@H]1[C@H]1C=C[C@H]2C1 101937841 YXVQIKWDKKZBPR-YWDSYVAPSA-N 297.314 0.924 0 50 CCAA CC[C@H]1C(=O)N(C)CCN1C(=O)Nc1nc(C)ns1 55326841 HMVDUKZZGRTUFX-QMMMGPOBSA-N 283.357 0.931 0 50 CCAA O=C(Nc1ncnc(N2CCOCC2)n1)c1ccccc1 22607130 RLZJGYTZAQHCPC-UHFFFAOYSA-N 285.307 0.961 0 50 CCAA Cc1cc(=O)oc(C)c1C(=O)N1[C@H]2CC[C@@H]1CC(=O)NC2 65375995 WQLQZUDMLSVGQF-MNOVXSKESA-N 290.319 0.750 0 50 CCAA N[C@]1(C(=O)O)CCN(Cc2ccnn2-c2ccccc2)C1 67473374 HZKPYNACVRBUDQ-OAHLLOKOSA-N 286.335 0.860 0 50 CCAA CC(C)N(C)CC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 172438669 HCAZMJVOVJBPIV-QWRGUYRKSA-N 255.362 0.487 0 50 CCAA CCc1csc(CNC(=O)[C@@H]2C[C@H](N)CN2C)n1 67804558 QOZBDCDLTWUQIF-WPRPVWTQSA-N 268.386 0.353 0 50 CCAA O=C(CNC(=O)c1ccc(F)cc1)N[C@@H]1CC[C@H]1O 425062793 URMFRULPMLBQDG-GHMZBOCLSA-N 266.272 0.195 0 50 CCAA CCN1CCCC[C@@H]1CNC(=O)CCS(C)(=O)=O 111636004 FNJPHIKVJVGTLN-LLVKDONJSA-N 276.402 0.412 0 50 CCAA Cc1nc(CCN)cc(NCCN2CCOCC2)n1 67934516 DWCHXEAIOSLYQO-UHFFFAOYSA-N 265.361 0.030 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1CCOCc1ccccc1 67909608 UWGYIRLDAJRBOK-KGLIPLIRSA-N 277.368 0.351 0 50 CCAA CCCc1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)no1 448817702 FUDLABPJQAGJRT-JTQLQIEISA-N 295.339 0.604 0 50 CCAA Cc1cnc(NCCS(=O)(=O)N(C)C)nc1N(C)C 65506458 YXBRAZABFVGLNK-UHFFFAOYSA-N 287.389 0.154 0 50 CCAA CS(=O)(=O)c1ccc(C(=O)O)c(O)c1C(=O)O 39813 IWFWLRDKISOXJS-UHFFFAOYSA-N 260.223 0.192 0 50 CCAA Cc1nc(CN2CCN(C(=O)C3(C)CC3)CC2)n[nH]1 125351868 BQUNDOYKSPHAIX-UHFFFAOYSA-N 263.345 0.557 0 50 CCAA CN1CCC[C@@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 363647632 YTPDWBSFTLEGAC-CQSZACIVSA-N 291.399 0.191 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)c3ncc(F)cc3F)[C@@H]2C1 285256397 MEQCRKILODYIED-NEPJUHHUSA-N 297.305 0.905 0 50 CCAA CCN1CCO[C@@H](CN2CCN(c3nnc(C)o3)CC2)C1 376188624 QQQFGSUZDVUNJQ-CYBMUJFWSA-N 295.387 0.221 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCN(c3ccncc3)CC2)C1 72475516 JERFQKHIYBAEAS-QWHCGFSZSA-N 274.368 0.858 0 50 CCAA Cn1cc([C@H]2CCN(c3cncc(OCCO)n3)C2)cn1 132796734 KMNOYKDECOULIA-NSHDSACASA-N 289.339 0.575 0 50 CCAA CS(=O)(=O)N1CCN(c2ccc3cc[nH]c3n2)CC1 72411352 IMPZNOKXGCPZPN-UHFFFAOYSA-N 280.353 0.645 0 50 CCAA O=C(c1ccc2nccn2c1)N1CCC[C@H](OCCO)C1 178660744 AIFGLIMIERRNGK-ZDUSSCGKSA-N 289.335 0.948 0 50 CCAA COCCn1cncc1CNC(=O)[C@H](C)N(C)C 426359827 NLEKPXDQZVOXTK-JTQLQIEISA-N 254.334 0.096 0 50 CCAA CCCCN1CCn2c1nc1c2c(=O)n(C)c(=O)n1C 40456293 QZOLYWGDEFTKBE-UHFFFAOYSA-N 277.328 0.054 0 50 CCAA O=C(Cc1nc(O)n[nH]1)N1CCc2sccc2C1 426656862 DLZONSGCNRNEHF-UHFFFAOYSA-N 264.310 0.699 0 50 CCAA Cc1cc(C[C@@H](C)NC(=O)CCC(=O)N(C)C)[nH]n1 223064688 YIOTUUMLGGRBAK-SECBINFHSA-N 266.345 0.634 0 50 CCAA COCC[C@@]1(CO)CCCN(Cc2nnc(C)n2C)C1 91859414 HOJOVMVQKWKUAB-AWEZNQCLSA-N 282.388 0.735 0 50 CCAA CCn1cc(CNC(=O)N2CCCN(C(C)=O)CC2)cn1 331465367 BMXDRWKIXWOJDR-UHFFFAOYSA-N 293.371 0.667 0 50 CCAA Cn1nc2n(c1=O)C[C@@H](c1nc(-c3cccnn3)no1)CC2 95509814 ZCKQVSNJNIQXOS-QMMMGPOBSA-N 299.294 0.152 0 50 CCAA CN1CCN(CCS(=O)(=O)c2ccccc2)C[C@H](O)C1 97301322 PIYQZAQZJOUYAJ-CYBMUJFWSA-N 298.408 0.069 0 50 CCAA O=C(NCCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 97413397 MCPOHONSOIOCQS-CYBMUJFWSA-N 297.376 0.754 0 50 CCAA Cc1cccc2nc(C(=O)NCCOCCO)c(F)n12 97602148 VHYOESDWZFJARE-UHFFFAOYSA-N 281.287 0.521 0 50 CCAA O=C(CCCc1cn[nH]c1)NCCN1CCC[C@H](CO)C1 97098830 BUCROBCBJBZCHR-AWEZNQCLSA-N 294.399 0.553 0 50 CCAA C[C@@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)n1cnnn1 524733470 TYAFJZPCERRKOP-WCQYABFASA-N 287.323 0.834 0 50 CCAA O=C(Cc1c[nH]c2ncccc12)N1CCO[C@H]2CNC[C@H]21 299745302 XTNQVZTYGLLSRZ-OLZOCXBDSA-N 286.335 0.305 0 50 CCAA CNC(=O)c1ccc(CNC(=O)COC[C@@H]2CCCO2)o1 299801342 VXEVFQJYSMQMMD-NSHDSACASA-N 296.323 0.451 0 50 CCAA CC(=O)N[C@H]1CCCN(Cc2ccn(C)c(=O)c2)C1 299851476 AGPCEPNUHSUZDT-ZDUSSCGKSA-N 263.341 0.486 0 50 CCAA CN(CCCS(=O)(=O)N(C)C)CC1(CO)CCCC1 828686754 NPTCJOBTMDFKRH-UHFFFAOYSA-N 292.445 0.752 0 50 CCAA CCN1CCN(CC(=O)NC[C@H]2CCCCN2C)CC1 823112850 IYNYTOLFWYUTFC-CQSZACIVSA-N 282.432 0.224 0 50 CCAA CCCCn1ncnc1C[C@H]1C(=O)NCCN1C(C)C 822889637 MGLNQKBIGNQBMV-LBPRGKRZSA-N 279.388 0.830 0 50 CCAA O=C(NCCCn1ccccc1=O)NC1(CO)CCCC1 584902935 SXAUFQMDFCOYLL-UHFFFAOYSA-N 293.367 0.843 0 50 CCAA Nc1nc(C(=O)N[C@H]2CCc3c[nH]nc3C2)cs1 584898232 ZWGUPOGKWSRQMI-ZETCQYMHSA-N 263.326 0.736 0 50 CCAA COCC1(CNC(=O)c2cc(O)nc(O)n2)CCC1 670450960 DSBWQOJQOFIKEV-UHFFFAOYSA-N 267.285 0.434 0 50 CCAA CS(=O)(=O)CCN1CCC[C@H](CN2CCCC2=O)C1 670455485 SEFYGRTWUPFCBB-LBPRGKRZSA-N 288.413 0.365 0 50 CCAA CCO[C@@]1(C(=O)N=c2cc(C(F)(F)F)[nH][nH]2)CCOC1 1875271655 KQNOMANDBKAUER-JTQLQIEISA-N 293.245 0.985 0 50 CCAA N[C@H](C(=O)NC[C@@H]1CCNC1)[C@H]1CCc2ccccc21 1875349393 VNHAZMHDNIHIKU-UGFHNGPFSA-N 273.380 0.769 0 50 CCAA CO[C@H]1CCCCN(CC(=O)Nc2nc(C)n(C)n2)C1=O 886078188 PQIACUWCXDOHET-JTQLQIEISA-N 295.343 0.090 0 50 CCAA CCCCCOCC(=O)N(C)CCN(C)CCO 888099707 MFBPGODLCVVMGP-UHFFFAOYSA-N 260.378 0.576 0 50 CCAA CSCCCN1CCN(CCOCCO)CC1 19634964 SIKMGQZFMGOAFA-UHFFFAOYSA-N 262.419 0.366 0 50 CCAA COc1cc(Cn2cnc3c(nnn3C)c2=O)sn1 631017925 SRDORKDPLCIQKZ-UHFFFAOYSA-N 278.297 0.038 0 50 CCAA O=C1CCN(C(=O)Cc2ccc3[nH]ncc3c2)CCN1 280606668 VCMKTXMNDYFOIC-UHFFFAOYSA-N 272.308 0.454 0 50 CCAA C/C=C/[C@H](O)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 585121080 FKWZMCIOUOKECK-VQGWDMPSSA-N 280.368 0.688 0 50 CCAA CC(C)n1cnc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 281196974 JXJWOHDSDOHJMY-LBPRGKRZSA-N 285.369 0.771 0 50 CCAA C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)CC(N)=O 408056700 KOWGRXKTSDOCKK-MJVIPROJSA-N 268.357 0.794 0 50 CCAA C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(O)CCOCC1 408281755 WMKJOVHJYRMBCT-VXGBXAGGSA-N 270.373 0.517 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)N(C)CC1(O)CCOCC1 190731644 LJAMRPJQGRQOPO-RYUDHWBXSA-N 271.357 0.801 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1cccnc1C 643763029 QQTUKOJZPJGTEM-AWEZNQCLSA-N 263.341 0.856 0 50 CCAA COCCN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 662334901 CYVCRDXQVAXDPZ-CYBMUJFWSA-N 293.415 0.645 0 50 CCAA CN(CC1(CO)CCOCC1)c1n[nH]c(=N)s1 1857679378 JLVGUXFKWRJXAW-UHFFFAOYSA-N 258.347 0.176 0 50 CCAA CCOC[C@@H]1CCCN(S(=O)(=O)c2cnnn2C)C1 330172062 XTCGPVOBYLZZGU-SNVBAGLBSA-N 288.373 0.252 0 50 CCAA CC(C)n1cc(S(=O)(=O)N2CCCOCC2)cn1 331662396 QJHYUVOKGPYHIH-UHFFFAOYSA-N 273.358 0.875 0 50 CCAA CC[C@H]1C(=O)NCCN1C(=O)c1cn(C(C)C)nn1 340036127 KCNIIVLGIBUPRF-JTQLQIEISA-N 265.317 0.210 0 50 CCAA CC1(C)OC[C@H]2CNC[C@@]21C(=O)NCc1ccc(O)nc1 1616038754 JYWFPJXJPUUCHN-ABAIWWIYSA-N 291.351 0.418 0 50 CCAA C[C@@H]1CC[C@@H](CCC(=O)N2CCO[C@H](C(=O)O)C2)O1 263066446 YXXYTBWJIZWYNL-VWYCJHECSA-N 271.313 0.646 0 50 CCAA COCCCNC(=S)NCCCN1CCCC1=O 5061150 KQVXIVJQBKLURZ-UHFFFAOYSA-N 273.402 0.500 0 50 CCAA CCn1c(-n2nc(C)cc2C)nc2c1c(=O)[nH]c(=O)n2C 12515919 YTNJIGIPNXIDGA-UHFFFAOYSA-N 288.311 0.246 0 50 CCAA COc1ccc2ncc(=O)n(CC3OCCO3)c2n1 169126755 RXHRUCDNIPALRC-UHFFFAOYSA-N 263.253 0.173 0 50 CCAA CNc1ccc(S(=O)(=O)N2CCOCC2)cc1N 1857781189 VEFJPOLGAAYHAH-UHFFFAOYSA-N 271.342 0.331 0 50 CCAA CC(=O)NC[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)CCO1 236661210 TXVLJVPANTVLFW-KGLIPLIRSA-N 291.351 0.050 0 50 CCAA Cn1nc(C(=O)N[C@H](CCO)c2cccs2)ccc1=O 768877791 WGUVCZGMZJWFDP-SECBINFHSA-N 293.348 0.695 0 50 CCAA COc1ccc(CCNC(=O)[C@H]2C[C@@H](OC)CN2)cc1F 573671904 LWXKQUBOJJPZTQ-DGCLKSJQSA-N 296.342 0.870 0 50 CCAA NC(=O)[C@H]1Cc2ccccc2N(C(=O)[C@H]2COCCO2)C1 264865388 PFFVHUKSBBSENG-WCQYABFASA-N 290.319 0.093 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CC(F)(F)CN1 1875290230 HOYGEDJWVWXYMD-VIFPVBQESA-N 272.299 0.682 0 50 CCAA N=c1ccc(C(=O)N[C@@H]2CCC[C@H](C(=O)O)C2)c[nH]1 1875278142 CKFSEQDPNIJFHI-WCBMZHEXSA-N 263.297 0.867 0 50 CCAA COc1cc(CN[C@@H]2C[C@@H](O)C23CCOCC3)on1 931784898 KWKKWCFUSGUNFX-GHMZBOCLSA-N 268.313 0.703 0 50 CCAA COCC1(C(=O)N2CCN(C)[C@H](C(=O)O)C2)CCC1 67847758 YWDLAVBOFWGQQH-JTQLQIEISA-N 270.329 0.030 0 50 CCAA CC(C)NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100099487 YKXVHFGWTUJEGT-PHIMTYICSA-N 264.325 0.852 0 50 CCAA CSC[C@H](NC(=O)CCc1c(C)nn(C)c1C)C(=O)O 426479046 TXUZGGRRJIFTBB-NSHDSACASA-N 299.396 0.902 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)[C@@H]1CCS(=O)(=O)C1 426494325 OURSISHYYLUNMP-SNVBAGLBSA-N 285.369 0.120 0 50 CCAA NC(=O)C1(C(=O)N[C@@H]2C[C@]23CCOc2ccccc23)CC1 2325786904 XOZHVIIMZTVFDO-WBMJQRKESA-N 286.331 0.861 0 50 CCAA Cc1ccc(CNC(=O)CSc2nnnn2C)cc1 617550 YKBAPZRIMMDPPH-UHFFFAOYSA-N 277.353 0.927 0 50 CCAA Cn1c(SCC(N)=O)nnc1-c1ccc2c(c1)OCO2 1325409 OKDOUBNDIFCFIH-UHFFFAOYSA-N 292.320 0.788 0 50 CCAA O=C1OC[C@H]2CN(CCS(=O)(=O)c3ccccc3)C[C@@H]12 2356147042 FRWAJAIGCUYXLP-DGCLKSJQSA-N 295.360 0.565 0 50 CCAA Cn1cc(-c2cnc3c(N4CC[C@H](O)C4)nccn23)cn1 2356154837 MCDRFCYBVOYFSD-NSHDSACASA-N 284.323 0.701 0 50 CCAA CCn1c(NN)nc2cc(OC)c(OC)cc2c1=O 9482820 VMGMVARCASDBOZ-UHFFFAOYSA-N 264.285 0.719 0 50 CCAA COc1ccc(CNC(=O)CN(C)S(C)(=O)=O)cc1 22606419 LSYSUGAASWLSPU-UHFFFAOYSA-N 286.353 0.203 0 50 CCAA CN(C)C(=O)c1cccc(N(C)S(C)(=O)=O)c1 65365156 LONYTKVZNOYYPL-UHFFFAOYSA-N 256.327 0.784 0 50 CCAA CCCn1cnnc1CNC(=O)C1=C(C)NC(=O)N[C@@H]1C 67819882 RMQXCCRGGJYZHJ-MRVPVSSYSA-N 292.343 0.280 0 50 CCAA CCc1nc(CN2CCCN([C@H]3CCOC3=O)CC2)no1 252370424 XWAPEVWGSRTQDL-NSHDSACASA-N 294.355 0.455 0 50 CCAA C=CC(=O)N1CCCN(C(=O)[C@H]2CCCO2)CC1 328599760 TYKGIKZNNRQHRW-LLVKDONJSA-N 252.314 0.412 0 50 CCAA CCOCCC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328620894 HJJBBLALVXHIIH-NSHDSACASA-N 266.345 0.651 0 50 CCAA O=C(NCCCOCC1CC1)C(=O)NCc1ccoc1 253404933 VZKJVAWEPMMZNQ-UHFFFAOYSA-N 280.324 0.829 0 50 CCAA CCN(CCn1cccn1)C(=O)c1nnc2n1CCCC2 215030830 WVNOVHIHDXTOIK-UHFFFAOYSA-N 288.355 0.973 0 50 CCAA Cc1nc(N2CC[C@H](CO)[C@@H](O)C2)cc(-n2cccn2)n1 72156050 VVKZWRWNLGYGSC-NEPJUHHUSA-N 289.339 0.150 0 50 CCAA Nc1nccnc1C(=O)Nc1ccc(OCCO)cc1 157966084 VJOKFDLKCULVIN-UHFFFAOYSA-N 274.280 0.682 0 50 CCAA C[C@H](c1ccccc1)N(CC(N)=O)Cc1cn(C)nn1 341687559 NZXWQUCROIVURB-LLVKDONJSA-N 273.340 0.864 0 50 CCAA COC(=O)c1ccc(C(=O)NCC[C@@H](C)[S@@](C)=O)[nH]1 343102564 WSYPWWWIKQBRPM-LILOVNGRSA-N 286.353 0.688 0 50 CCAA CC(C)[C@](O)(C(=O)O[C@@H]1CCN2CCC[C@H]12)[C@@H](C)O 43161939 JMQIGMSZSFQWEH-HKUMRIAESA-N 271.357 0.534 0 50 CCAA COCCC(=O)N1CCC[C@@H](c2ccn(CC(=O)O)n2)C1 426495599 LFWQTOHJPJBODR-LLVKDONJSA-N 295.339 0.710 0 50 CCAA CNC(=O)CN1CCCNC(=O)[C@@H]1Cc1ccccc1 293024723 QYUDEWQJOJEVGN-ZDUSSCGKSA-N 275.352 0.166 0 50 CCAA CN1C(=O)[C@@H]2CCC[C@H]1CN(C(=O)NCc1ncc[nH]1)C2 426589793 PFOIUMKQLKMHBQ-MNOVXSKESA-N 291.355 0.562 0 50 CCAA COC[C@@H](NC(=O)Cn1ccnc1)c1ccnn1C 220046570 BSMHYMFRXVOOJV-SNVBAGLBSA-N 263.301 0.121 0 50 CCAA CCCc1cc(C(=O)NC2(C(=O)O)CCOCC2)n(C)n1 95369934 ASVCKSCFATWBEZ-UHFFFAOYSA-N 295.339 0.736 0 50 CCAA Nc1cc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)ccn1 92061962 JXJVKTUOVFBZEA-LBPRGKRZSA-N 291.351 0.810 0 50 CCAA COc1cccn(CC(=O)N2CC[C@@H](OC)C2)c1=O 95517302 WSMZYXBMMLWABL-SNVBAGLBSA-N 266.297 0.104 0 50 CCAA Cc1nn(CC(=O)N2CC=C[C@@H]2CO)c(=O)c2ccccc12 91625156 XXUKOALDBAFWMM-GFCCVEGCSA-N 299.330 0.464 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2COCCN2)C[C@H](c2ccccc2)O1 269272400 XYZSLQQODBUIKZ-BPLDGKMQSA-N 290.363 0.963 0 50 CCAA C[C@H](C(=O)O)N1CCC[C@H](C(=O)NCC2CC2)C1 299753643 YWHXGYFKKQFFHP-KOLCDFICSA-N 254.330 0.698 0 50 CCAA O=C(O)[C@@H]1CCCN(C(=O)COC[C@@H]2CCCO2)C1 299743471 NQIDQJLHMNPMDZ-MNOVXSKESA-N 271.313 0.505 0 50 CCAA O=C(CCCc1cn[nH]c1)NCC1(CO)CCOCC1 534652006 JRXCJSGCWRDVRB-UHFFFAOYSA-N 281.356 0.638 0 50 CCAA O=C(NCCc1nc(Cc2ccccc2)no1)[C@@H]1C=CCN1 534590746 RBUGJPAGCMKTJX-ZDUSSCGKSA-N 298.346 0.847 0 50 CCAA CC(C)N1CCC(CC(=O)N[C@@H]2CCN(C)C2=O)CC1 828013318 XVRJVYHYTXQPMA-CYBMUJFWSA-N 281.400 0.844 0 50 CCAA C[C@@H]1[C@@H](N(C)C)CCN1Cc1nnnn1C(C)(C)C 585116307 PYRDJNYYBVYUSO-MNOVXSKESA-N 266.393 0.953 0 50 CCAA Cc1csc(CN(C)C(=O)[C@@H]2CCC(=O)NC(=O)N2)n1 584894671 KYGNGOMVFKXHTA-QMMMGPOBSA-N 296.352 0.398 0 50 CCAA Cc1noc(C[C@]2(O)CCCN(c3ncc(F)cn3)C2)n1 886079104 IWULGVWJMLORMH-CYBMUJFWSA-N 293.302 0.881 0 50 CCAA O=C1CC[C@H](CC(=O)NC2(c3ccccc3)COC2)N1 888565983 BNJFOMMSGQDRMO-GFCCVEGCSA-N 274.320 0.697 0 50 CCAA CCCN(C(=O)Cc1nc(O)n[nH]1)[C@H]1CCCC[C@@H]1O 1565526384 KEWTXJUUSODLHD-UWVGGRQHSA-N 282.344 0.595 0 50 CCAA CN(C[C@H](O)CO)C(=O)[C@@H]1CCCc2ccccc21 273964661 ZRAGISKWKNTPCV-GXTWGEPZSA-N 263.337 0.918 0 50 CCAA CCc1cc(C(=O)N2CCCS(=O)(=O)CC2)n[nH]1 408130083 STHVEUYAUZZNAN-UHFFFAOYSA-N 271.342 0.233 0 50 CCAA CCCS(=O)(=O)NCCN1CCOC(C)(C)C1 188093922 DFXSVIVJPCANRE-UHFFFAOYSA-N 264.391 0.427 0 50 CCAA C[C@H]1[C@H](C(=O)N[C@H](C)CS(C)(=O)=O)C1(F)F 408232081 RFXBIEHTHGJTJK-DSYKOEDSSA-N 255.286 0.437 0 50 CCAA O=C(CN1CCCC[C@H](O)C1=O)NC1(CCO)CCCC1 644477673 WNTUJJSOVUQBDX-LBPRGKRZSA-N 298.383 0.171 0 50 CCAA O=C(O)[C@@H]1CCCN1C(=O)Cc1cn2c(n1)CCCC2 652069638 UBRRMMOHWHEOHM-NSHDSACASA-N 277.324 0.838 0 50 CCAA CC(C)(C)n1nnc(C(=O)N2CCCC[C@H]2CC(=O)O)n1 659142647 HTNHFTUWUCIGRL-VIFPVBQESA-N 295.343 0.898 0 50 CCAA CCN1C[C@H](CN(C)Cc2cc(O)nc(C)n2)CC1=O 1529195130 GCNCUVUJVOMQEN-NSHDSACASA-N 278.356 0.791 0 50 CCAA CNS(=O)(=O)CCN(C)c1ccnc2ccncc12 1857529144 ARQLCTCJJUEMIP-UHFFFAOYSA-N 280.353 0.615 0 50 CCAA CN(C)c1nc2nonc2nc1N(C)Cc1cnccn1 12194527 ZOZDBEVEPITVLE-UHFFFAOYSA-N 286.299 0.505 0 50 CCAA CN1CCc2nc3sc4c(=O)[nH]c(=O)[nH]c4c3cc2C1 19691701 QWJCILBHRFATDQ-UHFFFAOYSA-N 288.332 0.814 0 50 CCAA C[C@H](CN1CCCN(c2ncccn2)CC1)n1cncn1 19850271 KTIKXKGMXSHSNF-CYBMUJFWSA-N 287.371 0.841 0 50 CCAA CN1C[C@]2(CCCN(c3n[nH]c(=N)s3)CC2)OC1=O 1857677277 URFRXTQXTCRNIA-LLVKDONJSA-N 283.357 0.762 0 50 CCAA CNC(=O)c1cccc(COC(=O)C2=NNC(=O)CC2)c1 733812878 CGDQKTVKFXAPIF-UHFFFAOYSA-N 289.291 0.355 0 50 CCAA CN(C)c1ncc(NC(=O)N2CCC[C@@H](C(N)=O)C2)cn1 253418624 VYBVAEONUFKRTR-SECBINFHSA-N 292.343 0.272 0 50 CCAA N[C@H]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 237847905 KZMXILVHJQWLNJ-LBPRGKRZSA-N 273.336 0.987 0 50 CCAA COc1cnc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)nc1 341211184 YSDJXORVOSLYCH-NGZCFLSTSA-N 290.323 0.224 0 50 CCAA CC(C)c1nc(CN2CC[C@](O)(Cn3ccnn3)C2)no1 671554731 NXHRNLVALUJLCF-CYBMUJFWSA-N 292.343 0.422 0 50 CCAA COc1ncc(C)cc1NC(=O)N1CCNC(=O)[C@H]1C 154998252 MADCISMLEYSQLZ-SECBINFHSA-N 278.312 0.751 0 50 CCAA Cn1ncc(CCC(=O)N2CC[C@H](N3CCCC3)C2)n1 857445727 PNYPVXWOYWHEAE-ZDUSSCGKSA-N 277.372 0.444 0 50 CCAA Cn1ncc2c(O)nc(CN3CCn4ccnc43)nc21 931522149 NECHMEFWRFRSQA-UHFFFAOYSA-N 271.284 0.286 0 50 CCAA CN1CCN(C)[C@@H](CNC(=N)NCc2ccccc2)C1 229580656 HVWPOXIPMNFIRI-AWEZNQCLSA-N 275.400 0.546 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)c3cncc(O)c3)[C@H]2C1 285678577 HNKVTMOHZBEEQE-QWHCGFSZSA-N 277.324 0.332 0 50 CCAA O=C(O)Cn1nnc(-c2ccc(Br)o2)n1 308891583 XWJZAZUVNGRHAU-UHFFFAOYSA-N 273.046 0.780 0 50 CCAA CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ncc[nH]1 647900828 VMFBRIGVKOTQOI-WDEREUQCSA-N 284.385 0.657 0 50 CCAA CN1CCC(N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)CC1 823762228 GOJGAKXAPDLXGO-XCCSTKFXSA-N 254.374 0.144 0 50 CCAA C[C@@H](NC1=NC[C@@]2(CO)COCCN12)c1ccns1 2325864241 JRTCJFWFEXWAIY-BXKDBHETSA-N 282.369 0.227 0 50 CCAA COc1ccsc1C(=O)N1CCC[C@@H](O)[C@H]1C(=O)O 911635466 CYPJESPTQUNVFA-APPZFPTMSA-N 285.321 0.807 0 50 CCAA CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O)cc1 1050170 XSIMQRXFVODVTO-UHFFFAOYSA-N 286.309 0.350 0 50 CCAA CSCC[C@@H](NC(=O)c1cncc(O)c1)C(=O)O 2478028 COVIBUYNNLWFRQ-SECBINFHSA-N 270.310 0.723 0 50 CCAA biogenic CO[C@H]1[C@@H](O)[C@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]12 2583567 KCXVHILKGUDBTH-PMXAPFLYSA-N 296.319 0.848 0 50 CCAA CCn1cc(CN[C@@H](C)CN2CCOCC2)cn1 50539703 GSUDWJKNLDYVQN-LBPRGKRZSA-N 252.362 0.713 0 50 CCAA CCN(C/C=C/c1ccco1)[C@H]1CS(=O)(=O)C[C@@H]1O 67920943 GOMJXRIVPFALOG-CDBNLRSOSA-N 285.365 0.773 0 50 CCAA COCc1cn(C2CCN(C(=O)c3cc[nH]n3)CC2)nn1 23251773 NRIPWZKGQNELFZ-UHFFFAOYSA-N 290.327 0.625 0 50 CCAA CCNC(=O)C1(NC(=O)c2cnsn2)CCCC1 252506644 WBYFUDZEMUSGIL-UHFFFAOYSA-N 268.342 0.717 0 50 CCAA COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCNC2)oc1C 123221666 XXAKCXXGSHNBJF-MRVPVSSYSA-N 288.325 0.015 0 50 CCAA COC[C@@H](O)CN(C)C(=O)c1n[nH]c2ccccc2c1=O 125087369 BRQJXBWURGBYNE-VIFPVBQESA-N 291.307 0.002 0 50 CCAA CNCCN(C)C(=O)Cn1c(=O)[nH]c2ccccc21 237295713 RMZQCFQHEUNRAE-UHFFFAOYSA-N 262.313 0.007 0 50 CCAA CCc1cc(C(=O)N2CCOC[C@@H]2c2noc(C)n2)n[nH]1 364732183 XFXQFFAXWCWVPS-LLVKDONJSA-N 291.311 0.877 0 50 CCAA CN1CC(=O)N(C[C@]2(N3CCOCC3)CCSC2)C1=O 371493396 PLWAYHLUJHCHFL-CYBMUJFWSA-N 299.396 0.088 0 50 CCAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccsc1 219863670 PFBHQCZCMMBIEW-NXEZZACHSA-N 285.321 0.737 0 50 CCAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(N)=O)cc1 72168438 ZZGAHOBTWWDMRM-ZDUSSCGKSA-N 291.351 0.261 0 50 CCAA COC(=O)c1ccn(CC(=O)Nc2cnn(C(C)C)n2)n1 48187797 OMCQPLUNJNMIDR-UHFFFAOYSA-N 292.299 0.481 0 50 CCAA NC(=O)c1c[nH]c(C(=O)N[C@@H]2COc3ccccc32)c1 176267896 BZZRHZMTRBWBRY-LLVKDONJSA-N 271.276 0.977 0 50 CCAA CN(Cc1ccc[nH]1)C(=O)CCn1cnc2c(N)ncnc21 611863716 RFLXKOOCJTZJIM-UHFFFAOYSA-N 299.338 0.785 0 50 CCAA Nc1nc(NCCCn2ccnn2)cc(C2CC(N)C2)n1 222746030 XKCYJSWTEDTUST-UHFFFAOYSA-N 288.359 0.357 0 50 CCAA CCc1nnc(CNC(=O)c2cn(C)c(C)cc2=O)o1 426478828 BKYNPVSHSBXYGD-UHFFFAOYSA-N 276.296 0.569 0 50 CCAA CCOC(=O)N1CC[C@@H](N2CCC3(CC2)CNCCO3)C1 426399191 JDGJFRLYSIJERT-CYBMUJFWSA-N 297.399 0.672 0 50 CCAA CN(Cc1ccon1)C(=O)CN1CCN(C)C1=O 426618125 LFAFADLCSAEQNA-UHFFFAOYSA-N 252.274 0.000 0 50 CCAA O=C(Cn1ccc2ncccc2c1=O)NC[C@H]1CCCO1 95387870 MWAACYBTXDVJRX-LLVKDONJSA-N 287.319 0.692 0 50 CCAA CC(=O)N[C@H](CC(C)C)C(=O)NCC1(O)CCN(C)CC1 341606918 LYNQWAYPEUGGJM-CYBMUJFWSA-N 299.415 0.110 0 50 CCAA COCCn1c(CN2CCCC2)nnc1[C@H]1C[C@@H](N)C1 244716117 LIUCSXXJCXEVCJ-TXEJJXNPSA-N 279.388 0.725 0 50 CCAA O=C1[C@@H]2[C@H]3[C@@H]4[C@@H]5[C@@H]([C@@H]2[C@]35C(=O)O)[C@]14Br 257358100 RPWPSPXUMDXFEM-QSJDZCEPSA-N 255.067 0.525 0 50 CCAA CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@H]1C=CCN1 534587851 XQJXSCSFSHBUTR-LLVKDONJSA-N 285.307 0.618 0 50 CCAA CN(Cc1cscn1)S(=O)(=O)N1CCCC1 264235409 ZLOCBECUXZVASM-UHFFFAOYSA-N 261.372 0.916 0 50 CCAA COCC1(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)CCC1 534589542 DSDBKAOJROSEPN-STQMWFEESA-N 282.384 0.783 0 50 CCAA CC(C)(C)N1CC[C@@H](CNC(=O)CSCC(N)=O)C1 534586375 VVJKLCKDXKQNPC-JTQLQIEISA-N 287.429 0.442 0 50 CCAA O=C(CN1CCCC1)NCCCN1CCCC[C@H]1CO 828711011 YBTMZGOGEMDZQG-AWEZNQCLSA-N 283.416 0.435 0 50 CCAA N=c1[nH]cc(CNC[C@@H]2COCc3ccccc32)c(=N)[nH]1 1875299114 ZUQNDHBHMPGGTJ-GFCCVEGCSA-N 285.351 0.705 0 50 CCAA C[C@H](N)C(=O)N[C@@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1 1875276697 PZNXXASQUAPMTJ-VMHSAVOQSA-N 276.262 0.834 0 50 CCAA COC(=O)/C=C/CCNC(=O)[C@@H](C)NC(=O)c1ccco1 1875312094 SMGCUQUUTCEATA-KFEJWOFMSA-N 294.307 0.633 0 50 CCAA C=CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCNC1=O 1875374313 JWTXMYNUJQRLNV-SECBINFHSA-N 283.328 0.024 0 50 CCAA Cc1cc(=O)cc(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)n1C 1565530666 VJEZVNFCZDFDML-GMXVVIOVSA-N 262.309 0.601 0 50 CCAA CCc1nc2n(n1)C[C@H](NCc1cncn1C)CC2 171627177 RRDPCRAPCCXMJH-SNVBAGLBSA-N 260.345 0.679 0 50 CCAA CNC(=O)COc1ccccc1CN=c1[nH]nco1 585081663 DKXQQXSMFFFCNN-UHFFFAOYSA-N 262.269 0.228 0 50 CCAA N=c1[nH]cc(CNC[C@H]2CSCCS2)c(=N)[nH]1 585118661 XTDXIPLJOHCBQJ-QMMMGPOBSA-N 271.415 0.240 0 50 CCAA O=C(N[C@H](CC1CC1)C(=O)O)c1nc2ncccn2n1 563451837 WPSQDGNJFXDLBB-MRVPVSSYSA-N 275.268 0.107 0 50 CCAA NC(=O)c1cn(Cc2ccn(-c3ccccc3)n2)nn1 772932495 LFURPRCOZCPYEW-UHFFFAOYSA-N 268.280 0.611 0 50 CCAA CCN(CCN1CCOCC1)C(=O)C(=O)c1cccn1C 1506404970 WKASCEJOOPTSND-UHFFFAOYSA-N 293.367 0.389 0 50 CCAA Cc1ccn2c(NC(=O)[C@H](C)Cn3cncn3)nnc2n1 1506427986 WKPQVGOBCINRKM-MRVPVSSYSA-N 286.299 0.299 0 50 CCAA COc1cc(C(=O)NC(C)(C)CC(N)=O)sn1 626449970 OCPSLMIMDQUSMU-UHFFFAOYSA-N 257.315 0.536 0 50 CCAA Cc1cc(C)c(CC(=O)N2C[C@@H]3CC[C@@]3(N)C2)c(O)n1 1615544871 BAFKHXXVOTWKAM-XHDPSFHLSA-N 275.352 0.896 0 50 CCAA CCn1cc(CC(=O)N2C[C@@H]3CCC[C@@]3(N)C2)nn1 1615555062 XHTBTOFUCFPXBS-GXFFZTMASA-N 263.345 0.180 0 50 CCAA CCc1nc(CN(C)C(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)no1 1857712275 NXVPMCJBLMRHFY-IVZWLZJFSA-N 282.344 0.079 0 50 CCAA CC(C)(C)n1ncnc1CN1C[C@@H](F)C[C@H]1CO 376615489 QBCCOBKZGIZLQG-UWVGGRQHSA-N 256.325 0.938 0 50 CCAA CC1(C)C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)CCO1 155750029 XBRVUEFSVVGGBH-JTQLQIEISA-N 277.324 0.868 0 50 CCAA CO[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)C[C@@H]1O 1857528227 ADIOHVDGJTXBQV-RFGFWPKPSA-N 297.376 0.564 0 50 CCAA COC(=O)CN1CCN([C@@H]2CCC(C)(C)C2)CC1=O 1857701075 LPQDPHKALPGCQU-LLVKDONJSA-N 268.357 0.882 0 50 CCAA CO[C@@H]1CC[C@H](C(=O)N2CCC(n3cnnc3O)CC2)C1 614259897 FABBTDHIRMYEFX-CMPLNLGQSA-N 294.355 0.962 0 50 CCAA CCNC(=O)CN1C[C@H](OC)C[C@H]1c1n[nH]c(C2CC2)n1 583619146 XKWOZUDLKDFAQZ-MNOVXSKESA-N 293.371 0.580 0 50 CCAA Cc1nc2ccc(NC(=O)CCn3cnnn3)cc2[nH]1 524735195 FFPXOHLKJHWWEV-UHFFFAOYSA-N 271.284 0.887 0 50 CCAA Cc1csc(NC(=O)CN2CCC[C@@](O)(C(=N)O)C2)n1 330365496 CRASTTYJVAVLOH-LBPRGKRZSA-N 298.368 0.752 0 50 CCAA Cc1cc(C)nc(CNC(=O)CCCC(=O)O)n1 426403805 VIBLBWIAUKLQGM-UHFFFAOYSA-N 251.286 0.965 0 50 CCAA O=C([C@H]1COCCO1)N1C[C@H]2CCCC[C@@]2(C(=O)O)C1 621614900 XYGOHJYXFFUDRN-JTNHKYCSSA-N 283.324 0.505 0 50 CCAA Cn1nnc(CN=c2nc(Cc3ccc(F)cc3)[nH]o2)n1 2325743772 CRPPUXAYFDXARC-UHFFFAOYSA-N 289.274 0.357 0 50 CCAA Cc1ncc(/C=C/C(=O)NC[C@H]2CO[C@H](CN)C2)s1 2325786568 XZANHJUAQMKRFF-ZNRGBCAMSA-N 281.381 0.945 0 50 CCAA Cc1cc(CC(=O)N2CCC(N3CC(O)C3)CC2)on1 2356138748 HFJVNSMJYOWSQD-UHFFFAOYSA-N 279.340 0.193 0 50 CCAA O=C(CCNS(=O)(=O)c1ccccc1)N1CCCC1 4833864 KMKCUOOWDBRANW-UHFFFAOYSA-N 282.365 0.977 0 50 CCAA C[C@@H]1CCCN(Cc2nc(N)nc(N(C)C)n2)[C@H]1CCO 521398734 OFEKFNOVALGTOY-MNOVXSKESA-N 294.403 0.503 0 50 CCAA CC(C)C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(N)=O 55145668 FHQWMALYJBMVMD-CHWSQXEVSA-N 277.368 0.573 0 50 CCAA CC12CN3CCN(CC(C3)[C@]1(O)CN1CCCCC1)C2 22457830 FPSGWWDBEHGUOF-UYSNPLJNSA-N 279.428 0.471 0 50 CCAA NC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2CSCN2)C1 156403381 SUZGMPHWXZKHDN-ZJUUUORDSA-N 271.386 0.153 0 50 CCAA C[C@@H]1CCC[C@H]1OC[C@H](O)CN1CCN(CCO)CC1 22823119 CYSUXZOTEMFZIJ-RBSFLKMASA-N 286.416 0.162 0 50 CCAA O=C1NC(=O)[C@@](Cc2cccc(F)c2)(C2CCNCC2)N1 67883788 ZZAZDGLWQGBVGB-OAHLLOKOSA-N 291.326 0.946 0 50 CCAA CCN1CCC[C@](C)(C(=O)NCc2cc(=O)[nH]cn2)C1 23310923 GUGIGNPAYVOXKM-AWEZNQCLSA-N 278.356 0.508 0 50 CCAA CN(C)[C@@H](CNC(=O)CCS(C)(=O)=O)c1ccco1 62353361 UWMPFDKIHDLXIK-JTQLQIEISA-N 288.369 0.433 0 50 CCAA Cc1nc(N2CCOCC2)nc(N2CCOCC2)c1C=O 327568 VUSNYCUWGWMOJQ-UHFFFAOYSA-N 292.339 0.271 0 50 CCAA O=C(c1cnc[nH]c1=O)N1CCO[C@@H](C(F)(F)F)C1 71759232 GAWWQRWMPZXTAK-SSDOTTSWSA-N 277.202 0.173 0 50 CCAA COc1ccccc1OCC(=O)NCCN1CCNC1=O 219055626 LPUMBLCKRRGTJZ-UHFFFAOYSA-N 293.323 0.215 0 50 CCAA CO[C@H]1C[C@@H](C(=N)O)N(C(=O)COCC(F)(F)F)C1 330545864 PDFXFNYAYPWDEE-BQBZGAKWSA-N 284.234 0.716 0 50 CCAA C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCO2 331893296 ONGVKWZLOZYOIC-BDAKNGLRSA-N 285.321 0.559 0 50 CCAA O=C(N1CC[C@H](c2nc[nH]n2)C1)C1(O)CCCCC1 333539139 ZONSHLVZUQUYLP-JTQLQIEISA-N 264.329 0.816 0 50 CCAA CN1CCN(CCS(=O)(=O)c2ccccc2)C[C@@H](O)C1 217008867 PIYQZAQZJOUYAJ-ZDUSSCGKSA-N 298.408 0.069 0 50 CCAA C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)O 262760608 LKTFJZMQODRTKY-KCJUWKMLSA-N 294.282 0.768 0 50 CCAA CN(C)C[C@H]1COCCN(C(=O)c2ccc(CO)cc2)C1 216202569 MJNMILPWPLCCRW-CQSZACIVSA-N 292.379 0.829 0 50 CCAA Cc1ccc(C(=O)N2CC[C@@H](N)C2)cc1S(C)(=O)=O 132365043 CYHJGNNNYMMOGP-LLVKDONJSA-N 282.365 0.572 0 50 CCAA CC(C)n1cc(C(=O)N[C@@H]2CCOC[C@H]2O)cn1 222473317 DNIBCULISVAOJD-GHMZBOCLSA-N 253.302 0.344 0 50 CCAA O=C(NCC(F)(F)F)c1cc2ncc(CCO)cn2n1 426667148 UFTNJMVYABGVSN-UHFFFAOYSA-N 288.229 0.556 0 50 CCAA Cc1nc(-c2c3n(c(=O)[nH]c2=O)CCCCC3)no1 221632412 QGNXTHWWAMJJBO-UHFFFAOYSA-N 262.269 0.621 0 50 CCAA O=C(Cn1nccc1[C@H]1CCCNC1)N1CC=CC1 426641347 ITYFBDVBMLAPPV-LBPRGKRZSA-N 260.341 0.749 0 50 CCAA CC(C)(C)n1ccc(C(=O)N[C@H](CO)C(=O)O)c1 426712808 UJIJHWIODYKTKG-SECBINFHSA-N 254.286 0.418 0 50 CCAA C[C@H](CS(C)(=O)=O)NCCCn1cc(Cl)cn1 383331092 VMGNVSIGKFPZAP-SECBINFHSA-N 279.793 0.949 0 50 CCAA CCCn1ncc(C(=O)N2CC[C@@H]2C(=O)O)c1C 95507321 ACKHZFMVWCQNFM-SNVBAGLBSA-N 251.286 0.901 0 50 CCAA Cc1nonc1C(=O)N1C[C@@H](C)[C@](O)(C(C)C)C1 91951647 IVGIIGFTOHAUFB-PRHODGIISA-N 253.302 0.857 0 50 CCAA COCC[C@]1(C(=O)O)CCCN(CCS(C)(=O)=O)C1 91595731 BSRQIYWIWMEUHN-GFCCVEGCSA-N 293.385 0.234 0 50 CCAA CCCc1cc(C(=O)N2CCOC[C@H]2c2nc[nH]n2)no1 622045136 CKVKQALDNCDPTM-NSHDSACASA-N 291.311 0.959 0 50 CCAA O=c1[nH]ccn1CCN1CCC(N2CCSCC2)CC1 243932647 BXHSOKBAYRQOIU-UHFFFAOYSA-N 296.440 0.690 0 50 CCAA CC1(C)[C@H](N)C[C@H]1NC(=O)c1ccccc1OCC(N)=O 864091903 ITNFNDCUCTWMPC-VXGBXAGGSA-N 291.351 0.406 0 50 CCAA COC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)CCO1 299746981 BRGMZSWPVHEDNT-XUXIUFHCSA-N 282.384 0.781 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)[C@@H]1Cc2cc(F)ccc2O1 299747858 FJRGGEBOMZTTAU-JQWIXIFHSA-N 295.266 0.441 0 50 CCAA Cc1ccnc(N2CCC([C@@H](O)C(=O)NC3CC3)CC2)n1 299749410 KFNWFTGHZLDRIT-CYBMUJFWSA-N 290.367 0.641 0 50 CCAA CCN1C[C@H](NC(=O)CCn2cc(C)cn2)[C@@H](OC)C1 534641279 WEYNJMFFMDTKOZ-STQMWFEESA-N 280.372 0.417 0 50 CCAA CCOC(=O)c1nn(CCOC)c2c1CNCC2 299779643 UXKZJGKHSIHNSP-UHFFFAOYSA-N 253.302 0.352 0 50 CCAA CSCCN1CCN(C(=O)[C@H](O)C(C)C)CC1 824901236 DYILLXFOUDDDMO-LLVKDONJSA-N 260.403 0.511 0 50 CCAA O[C@H]1CN(C2CCOCC2)C[C@@H]1N1CCCCC1 828896681 HQRKUPQWKSUBRM-KBPBESRZSA-N 254.374 0.696 0 50 CCAA COCCN1C[C@H](CNC(=O)CN2CCCCC2)CC1=O 824412477 WOYXASBSCUEMMX-ZDUSSCGKSA-N 297.399 0.083 0 50 CCAA O=C(CN1CCOCC1)NCc1cnc2c(c1)CCC2 584902366 LTWPVGNSPNWFGR-UHFFFAOYSA-N 275.352 0.519 0 50 CCAA CN1CCCN(CC(=O)NCC[C@H]2CCOC2)CC1 823778387 SHCUIFBNPVZKPQ-ZDUSSCGKSA-N 269.389 0.167 0 50 CCAA O=C(CCn1ccc(O)nc1=O)N1C[C@H]2CC[C@H](C2)C1 584898374 NNLOJONOWHNTCH-PHIMTYICSA-N 277.324 0.598 0 50 CCAA CC1(C)CN(C(=O)[C@@H]2CCCCn3nnnc32)CCO1 584889680 NTPJRKDTTYVWFS-SNVBAGLBSA-N 279.344 0.578 0 50 CCAA Cn1nc(C2CC2)cc1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1551477086 KUDUCAAILRPLTR-NHYWBVRUSA-N 289.383 0.930 0 50 CCAA O=C(NOCCN1CCCC1=O)[C@@H]1CCc2c[nH]nc21 1875274450 WWGIHQVVYZKSKO-SNVBAGLBSA-N 278.312 0.110 0 50 CCAA NC(=O)Cn1ccc(=NC(=O)C2(c3cccs3)CC2)[nH]1 1875274085 GHPYKIPVZLKAID-UHFFFAOYSA-N 290.348 0.522 0 50 CCAA CCOc1ccnc(N2CCC[C@]3(C2)NC(=O)NC3=O)n1 1875275830 WTXROAVBBUSMHJ-CYBMUJFWSA-N 291.311 0.054 0 50 CCAA CN1CNC(=O)C12CCN(C(=O)NC1CCCC1)CC2 1875282482 GWSVWPIZDZJWOQ-UHFFFAOYSA-N 280.372 0.492 0 50 CCAA CNc1ncccc1C(=O)N1CC[C@@H](Cc2nn[nH]n2)C1 1875285871 DNLQJMDOVFJNKG-VIFPVBQESA-N 287.327 0.341 0 50 CCAA Cn1cc(C(=O)NS(C)(=O)=O)c(-c2ccncc2)n1 1875390731 DGYMBPGZQIBKAC-UHFFFAOYSA-N 280.309 0.172 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CC[C@H](CC(N)=O)C2)CC1 1875365533 UGHOWGSKSWRECE-LLVKDONJSA-N 293.367 0.135 0 50 CCAA Cn1ccnc1C(=O)NCc1nc(O)c2ccccc2n1 952873077 VBGFVSPHNFQDII-UHFFFAOYSA-N 283.291 0.999 0 50 CCAA Cc1cn2ccc(C(=O)N[C@]3(C)CCNC3=O)cc2n1 889027792 RWPPFOGTAVZZHW-CQSZACIVSA-N 272.308 0.651 0 50 CCAA O=C1CC[C@@H](CC(=O)NC2(c3ccccc3)COC2)N1 888565984 BNJFOMMSGQDRMO-LBPRGKRZSA-N 274.320 0.697 0 50 CCAA C[C@@H]1[C@H](C(=O)N2CC[C@H](S(C)(=O)=O)C2)C1(F)F 407965368 LVGKZNBEXZZZFT-GJMOJQLCSA-N 267.297 0.533 0 50 CCAA C[C@H]1OCCN(Cc2nnc3n2CCCCC3)[C@@H]1C(N)=O 408047824 SOMCUSONWCZHQY-MFKMUULPSA-N 293.371 0.079 0 50 CCAA Cc1cccc(NC(=O)Cn2nnn(C3CC3)c2=O)c1 565450329 PERLDSFSXTUFBK-UHFFFAOYSA-N 273.296 0.722 0 50 CCAA Cc1cnn(Cc2nnnn2-c2ccccc2)c(=O)c1 195434793 JAUCYBNHWAODNH-UHFFFAOYSA-N 268.280 0.576 0 50 CCAA Cc1cc(S(C)(=O)=O)cc(C(=O)NCC(=O)O)c1C 567863448 PTORFBLNWLHNPX-UHFFFAOYSA-N 285.321 0.521 0 50 CCAA COc1ccc(C(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)nn1 659224265 HZWMQSJERLXXNC-BDAKNGLRSA-N 279.296 0.668 0 50 CCAA O=C(Cn1cccn1)N[C@@H]1COC[C@H]1Cc1ccncc1 1529114717 UFCLWTQNWAIUQA-ZIAGYGMSSA-N 286.335 0.652 0 50 CCAA Cc1ncc(CN(CCO)C(=O)CCc2ccnn2C)[nH]1 1704325738 QFHGPSILUZKSCB-UHFFFAOYSA-N 291.355 0.405 0 50 CCAA CCN(C)C[C@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 524698687 AWKYNCYHFQDBDJ-ZIAGYGMSSA-N 284.400 0.982 0 50 CCAA O=C(CO[C@@H]1CCOC1)NC1(c2ccccc2)COC1 1614705694 GSOPNKBFQSOFRK-CYBMUJFWSA-N 277.320 0.834 0 50 CCAA CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 13583138 BWKGWTLZBSYEIX-UHFFFAOYSA-N 270.354 0.995 0 50 CCAA Cc1c[nH]c(C(=O)N2CCCN(c3ncccn3)CC2)n1 19792266 BHHHRAOAZCXVJY-UHFFFAOYSA-N 286.339 0.861 0 50 CCAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CCN1CCOCC1 19795220 ZFVOIDZFVVBEQC-VXGBXAGGSA-N 298.770 0.836 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NC(=O)Nc2ncn(C)n2)n1 19866444 AHVVNWGMLMRBSW-SECBINFHSA-N 277.332 0.839 0 50 CCAA COc1cc(C(=O)N2CCOC[C@@H]2CO)ccc1F 168592134 QMLUSZGEEQUHDR-JTQLQIEISA-N 269.272 0.668 0 50 CCAA CCOC(=O)c1sc2ncn(CC(N)=O)c(=O)c2c1C 98304 USXDSRAHJKXAJQ-UHFFFAOYSA-N 295.320 0.428 0 50 CCAA CO[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1c1cnn[nH]1 621320955 IRRFSEYFUVNFBN-GXSJLCMTSA-N 290.327 0.680 0 50 CCAA O=C(O)[C@H]1CN(C(=O)N[C@H]2CCCn3nccc32)CCO1 635524946 OYEUPXRMEQUJTF-GXSJLCMTSA-N 294.311 0.213 0 50 CCAA CNC1CC(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 1650384511 ZXJNVBSISFVUCY-YMAMQOFZSA-N 273.380 0.815 0 50 CCAA N=c1cc(C(=O)N2CCC[C@@]3(CCOC3)C2)[nH][nH]1 1857699626 XCFNBSOJSQJUNN-GFCCVEGCSA-N 250.302 0.465 0 50 CCAA Cc1noc(C)c1CN1CC2(CNC(=O)N2C)C1 1857727296 PHBKQCXNNABZCS-UHFFFAOYSA-N 250.302 0.501 0 50 CCAA C[C@@H]1CN(C(=O)c2cc(C(=O)O)nn2C)c2ccnn2C1 902701433 MBEIWNNHNGURNQ-MRVPVSSYSA-N 289.295 0.611 0 50 CCAA COc1cncc(S(=O)(=O)NCCc2cnoc2)c1 907384405 OIAKYCVPIVBDTD-UHFFFAOYSA-N 283.309 0.599 0 50 CCAA CCn1ncc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)n1 816325527 MCJHMTLNGVSWLY-NSHDSACASA-N 295.387 0.215 0 50 CCAA Cc1cccc2nc(C(=O)NCCc3nc(=O)o[nH]3)cn12 1256227914 YCQOYMKEONTDBA-UHFFFAOYSA-N 287.279 0.292 0 50 CCAA O=C(CCCOc1ccccc1)N[C@H]1COC[C@@H]1O 222522911 DUGABKAOLMKUJZ-STQMWFEESA-N 265.309 0.722 0 50 CCAA N[C@H]1CCCN(C(=O)Cc2cn3ccccc3n2)C1 157717769 GBLKRNLGBXSYSN-NSHDSACASA-N 258.325 0.827 0 50 CCAA CO[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)O)c2ccnn2C)C1 663060867 PRYNVXJHGPJPHL-NGZCFLSTSA-N 281.312 0.477 0 50 CCAA Cc1nn2ncccc2c1C(=O)N1Cc2c[nH]c(=N)nc2C1 2325872365 UPXSPUFGHNGZIJ-UHFFFAOYSA-N 295.306 0.396 0 50 CCAA COc1cc(C(=O)NCC(=O)O)cc(OC)c1OC 47616 LPQDWMLZTWHXOE-UHFFFAOYSA-N 269.253 0.527 0 50 CCAA biogenic COC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 456262 YJZCKHQAVBGVRA-UHFFFAOYSA-N 258.299 0.692 0 50 CCAA O=C([C@@H]1CCCO1)N1CCN(c2ncccn2)CC1 475877 YDVNPRYCQGGRRX-NSHDSACASA-N 262.313 0.304 0 50 CCAA Cc1cc(N2CCOCC2)nc(SCC(N)=O)n1 3077790 PDNJBJPCAIUWCH-UHFFFAOYSA-N 268.342 0.199 0 50 CCAA Cc1nnc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)o1 53965851 HBEUIKDGSAQMRT-UHFFFAOYSA-N 292.339 0.643 0 50 CCAA CCN(C)C(=O)CNC(=O)c1nccn2cc(C)nc12 346683028 FGZYGNZKARINHZ-UHFFFAOYSA-N 275.312 0.246 0 50 CCAA NNc1ccc(CS(=O)(=O)N2CCCC2)cc1 22009214 URINEQNRIFSXKT-UHFFFAOYSA-N 255.343 0.898 0 50 CCAA in-vitro C[C@H](C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)n1cccn1 252679882 SNPHYGLWPOVCPQ-MGPQQGTHSA-N 292.383 0.502 0 50 CCAA Cc1cc(CN2CCC[C@](O)(Cn3ccnn3)C2)on1 284615737 RHLCIBJUBZPMTQ-CYBMUJFWSA-N 277.328 0.602 0 50 CCAA CO[C@@H](C(=O)NCCn1cncn1)c1ccccc1 219576885 AOIKRJYENBVDAW-GFCCVEGCSA-N 260.297 0.782 0 50 CCAA NC(=O)[C@H]1CN(Cc2cccc(C(=O)O)c2)CCO1 215649410 NDSDVIPQHDESKR-LLVKDONJSA-N 264.281 0.071 0 50 CCAA O=C([C@@H](O)c1cccnc1)N1CCc2ccnc(O)c2C1 366771352 HNSSEBCNJCBNBI-ZDUSSCGKSA-N 285.303 0.801 0 50 CCAA c1cc(-c2cc(NCc3nnn[nH]3)n3nccc3n2)ccn1 72409768 WRSBPOSFUHVGKU-UHFFFAOYSA-N 293.294 0.917 0 50 CCAA C[C@H]1CCCN(C(=O)c2ccc(C(N)=O)nc2)[C@@H]1CN 156972799 SJQODZLRMVMNHS-JOYOIKCWSA-N 276.340 0.380 0 50 CCAA Cc1nn(C)c(C)c1C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 285380509 WMCRMYMOJDBMJM-STQMWFEESA-N 292.383 0.582 0 50 CCAA C[C@@H](Cc1cnc[nH]1)C(=O)N1CC2(CN(C)C(=O)O2)C1 496606106 MDGWDMUXZVXNIB-VIFPVBQESA-N 278.312 0.251 0 50 CCAA CCN(C[C@@H]1CCN(C)C1)C(=O)C1(C(=O)OC)CC1 71712140 ZFKWIQRYLOOFNM-LLVKDONJSA-N 268.357 0.740 0 50 CCAA O=C(Cn1ccnn1)N[C@H]1CCOc2ccccc21 175096472 ZCAPFRXXVGYPCI-NSHDSACASA-N 258.281 0.918 0 50 CCAA Cc1nc(=O)cc(-c2nc3c([nH]2)CCCNC3=O)[nH]1 215593572 DZUOCJPHNOLHQA-UHFFFAOYSA-N 259.269 0.144 0 50 CCAA COCc1nc(CN2C[C@@H](COC)OC(C)(C)C2)no1 343350852 USBMGZAMNRZXJG-JTQLQIEISA-N 285.344 0.842 0 50 CCAA N[C@@H](CO)C(=O)N1CCN(c2ccc3ccccc3c2)CC1 77489386 JUXLKNUYASCSJN-INIZCTEOSA-N 299.374 0.808 0 50 CCAA NC(=O)c1cccc(-c2nccc(N3CC[C@@H](O)C3)n2)c1 426574926 AHMIWNIHSCQXMK-GFCCVEGCSA-N 284.319 0.814 0 50 CCAA OC[C@H]1CN(Cc2cccnc2)C[C@H]1CN1CCOCC1 91986739 RJIQJCBKSVPJRE-HZPDHXFCSA-N 291.395 0.454 0 50 CCAA CN(C)[C@@H](C(=O)N1CC(O)C1)c1ccc(F)cc1 95359741 QESBKWBLBMLDRZ-GFCCVEGCSA-N 252.289 0.632 0 50 CCAA c1cnc2c(CN3CCN(c4cnccn4)CC3)cnn2c1 95517814 DZRMTXJHDXTNEV-UHFFFAOYSA-N 295.350 0.842 0 50 CCAA COc1cc2[nH]c(=O)c(C(=O)O)c(O)c2cc1OC 145026222 AFNSAJUZUQEDSO-UHFFFAOYSA-N 265.221 0.949 0 50 CCAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1C[C@H](O)CO1 91306008 QAMHDOSJGYNQID-NSHDSACASA-N 259.265 0.825 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@H]3C4C5[C@]6(CC7(CC7)C[C@@]516)[C@@H]2[C@@H]43 248023794 IUHGBXUQVZUVDO-WZWCXTMESA-N 283.331 0.510 0 50 CCAA CCc1nnc(CN(C)Cc2noc(C(=O)NC)n2)o1 252483702 FHDAEPGQGDNRCF-UHFFFAOYSA-N 280.288 0.007 0 50 CCAA CCn1nccc1S(=O)(=O)NCC1CCNCC1 534582585 OLIDJSIPXWVHIH-UHFFFAOYSA-N 272.374 0.181 0 50 CCAA COc1ccc2oc(CNS(=O)(=O)N(C)C)nc2c1 534576655 SIDCWYXFHKBCBD-UHFFFAOYSA-N 285.325 0.732 0 50 CCAA O=C1CC[C@H](NC2(C(=O)O)CC2)CCN1CC1CC1 534655890 XFSROZWSQMZGLC-NSHDSACASA-N 266.341 0.984 0 50 CCAA O=C([C@@H]1C[C@@H](O)CN1)N1CC(Oc2ccc(F)cc2)C1 299762607 XQHZVNLDNPIEDN-MFKMUULPSA-N 280.299 0.138 0 50 CCAA O=C(NCc1nc(O)c2ccccc2n1)[C@H]1COCCO1 299797380 NSWQTRSXGHPDKF-LLVKDONJSA-N 289.291 0.367 0 50 CCAA O=C(O)C[C@@H]1CN(c2ncnc3ccsc23)C[C@H]1O 1857735587 SMBIWYYWVALUFY-VXNVDRBHSA-N 279.321 0.963 0 50 CCAA CC(=O)N[C@@H](C)CC(=O)NCCC1(O)CCCC1 584894681 UFMHZFSWLQKZSE-JTQLQIEISA-N 256.346 0.713 0 50 CCAA COCCN1CC[C@@H](CNC(=O)c2cncn2C)C1 670444579 IXZBORZJCVWCLC-NSHDSACASA-N 266.345 0.118 0 50 CCAA N[C@@H]1CN(C(=O)NCC2CCOCC2)CC12CCC2 1553445093 NEKPDEBBNAZOLB-GFCCVEGCSA-N 267.373 0.936 0 50 CCAA CN(C[C@H](O)Cn1cnc2cccnc2c1=O)C1CC1 1875279350 UAMVRFYEWAYJGT-NSHDSACASA-N 274.324 0.247 0 50 CCAA C[C@@]1(C(=O)N=c2[nH][nH]cc2Cl)CCC(=O)NC1 1875295646 MSBMWCVUGKNALI-SNVBAGLBSA-N 256.693 0.340 0 50 CCAA Cc1cc(NC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)on1 1875271362 XLIQTWGEBDOGAU-UTLUCORTSA-N 267.285 0.908 0 50 CCAA C=CC(=O)N1CCC(C(=O)NC2CC(CO)C2)CC1 1875366128 PSEUJURDVKLMAE-UHFFFAOYSA-N 266.341 0.298 0 50 CCAA Cc1ncoc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 888094291 HQRHCSPFYXYJAO-WDEREUQCSA-N 292.295 0.293 0 50 CCAA Cc1nc(N)nc(N2CCC[C@H](c3ccn(C)n3)C2)n1 895641696 UBVPPUMPLWFBOR-JTQLQIEISA-N 273.344 0.880 0 50 CCAA C[C@]1(NC(=O)Cc2ccc(-n3ccnc3)cc2)CCNC1=O 889025770 XJJITVXPJJFAQQ-INIZCTEOSA-N 298.346 0.810 0 50 CCAA CCN(CCO)c1ncnc(N(CC)CCO)c1F 1775991555 KZIXMQOBIHUYSB-UHFFFAOYSA-N 272.324 0.253 0 50 CCAA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCOC1 276732994 QYJYNHINYAQRJE-GMXVVIOVSA-N 279.340 0.650 0 50 CCAA Cn1ccc(C(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)n1 585125771 FHJIOJNYFJNAPF-QWHCGFSZSA-N 293.367 0.860 0 50 CCAA CC(=O)N1CCC[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 564570496 GPOJMFWGWMSVCG-GFCCVEGCSA-N 290.367 0.818 0 50 CCAA O=C(O)[C@@]1(C(=O)NCc2nc[nH]n2)CC=CCC1 653284855 WMFYRNAGGVZVOW-NSHDSACASA-N 250.258 0.232 0 50 CCAA CSC[C@@](C)(O)CNC(=O)[C@H]1CCCc2nn[nH]c21 597278530 IGCJARYKGXEYLC-UFBFGSQYSA-N 284.385 0.455 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2ccc3nnnn3c2)C1 570573391 LUTJUQOZODCLMI-AWEZNQCLSA-N 289.339 0.749 0 50 CCAA C[C@@H]1C[C@H](NC(=O)c2ccc(C(N)=O)o2)CCN1 572641095 PPLNTEAPNZPDBV-HTQZYQBOSA-N 251.286 0.249 0 50 CCAA Cn1ccnc1NC(=O)Cn1nc2ccccc2n1 1180290808 CPZWMKQUJLUGPF-UHFFFAOYSA-N 256.269 0.804 0 50 CCAA CO[C@@H]1CNC[C@@H]1NC(=O)c1cc(C(C)C)nn1C 1614564452 XSSYGMKIARTHCZ-CMPLNLGQSA-N 266.345 0.260 0 50 CCAA CCC(C)(C)CNC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 1615055159 HGRUDPQGGIDXSW-AWEZNQCLSA-N 296.371 0.806 0 50 CCAA O=C(N1CC2(CCOCC2)c2ccccc21)C1(O)CNC1 1615555563 UTLLJWLQDKNXOW-UHFFFAOYSA-N 288.347 0.416 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)CCCn1cncn1 238065721 GOAUKYATFIENCL-SECBINFHSA-N 252.274 0.134 0 50 CCAA Cc1nnc2n1C[C@@H](CNC(=O)c1cnn3ccn(C)c13)C2 1772703197 CBXJVTJNUOQDDG-SNVBAGLBSA-N 299.338 0.175 0 50 CCAA CNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 14396898 XFEAUYBQDXAOBV-UHFFFAOYSA-N 286.353 0.203 0 50 CCAA C[C@@H]1CCCCN1C1CN(c2nc(C(=O)O)nn2C)C1 1857672534 GKCVRVQWEVOMSE-SECBINFHSA-N 279.344 0.576 0 50 CCAA C[C@@H]1O[C@H](C)C[C@H]1C(=O)N1CCC(n2cnnc2O)CC1 632807260 BNIVKIOXOJSTPF-JFGNBEQYSA-N 294.355 0.961 0 50 CCAA O=C(CN1CC[C@H](O)[C@H](CO)C1)N1CCc2ccccc21 396842577 DACVFNHFUGILGL-ZFWWWQNUSA-N 290.363 0.251 0 50 CCAA CCc1cnc(N)nc1N1CCN2C(=O)OC[C@@H]2C1 1772709148 MMHSMMLPZDYOOZ-VIFPVBQESA-N 263.301 0.262 0 50 CCAA Cc1nc(N2C(=O)CN(C3CCCC3)C2=O)nn1C 900235587 WIUZEZJPYARPJL-UHFFFAOYSA-N 263.301 0.835 0 50 CCAA O=C(Cn1cnnc1)N1CCC[C@H](C2(O)CC2)C1 1772819105 DUNMSTUTYJVCCL-JTQLQIEISA-N 250.302 0.042 0 50 CCAA O=C(CC1CCNCC1)N1CCO[C@@H]([C@H]2CCCO2)C1 238131208 SKBXTGQZYYEIRL-ZIAGYGMSSA-N 282.384 0.783 0 50 CCAA CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(C)nc2)C1 153860730 HKVHXNCUSLXZEH-LLVKDONJSA-N 283.353 0.154 0 50 CCAA Cc1ccc(-c2noc(Cn3ncn(C)c3=O)n2)cc1 153896740 XUOKZUQOQVLSGX-UHFFFAOYSA-N 271.280 0.989 0 50 CCAA COCc1cccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c1 261877364 DXGPGNNZKSCUQD-RISCZKNCSA-N 278.352 0.826 0 50 CCAA Cc1nc(CSc2nnc(CCN)n2C)co1 426549109 GTXQINIOLBGPHL-UHFFFAOYSA-N 253.331 0.905 0 50 CCAA O=C(O)[C@H](CNS(=O)(=O)CC1CC1)C1CCOCC1 685940055 GIMNANQLKOJACU-LLVKDONJSA-N 291.369 0.443 0 50 CCAA COCCCNC(=O)CCCCC(=O)NCCCOC 4197523 SXYCBRSMMYGVBU-UHFFFAOYSA-N 288.388 0.852 0 50 CCAA CS(=O)(=O)N(CC(=O)O)c1ccc2c(c1)OCCO2 4516922 BIBSGDBUIFKACF-UHFFFAOYSA-N 287.293 0.308 0 50 CCAA Cc1[nH]c2nc(C(=O)N3CCC(C)CC3)nn2c(=O)c1C 4732982 TVNJNEBQFFSCKZ-UHFFFAOYSA-N 289.339 0.907 0 50 CCAA CCOc1cccc(S(=O)(=O)N2CCNC(=O)CC2)c1 282703439 QHMBRXCLNAKFQD-UHFFFAOYSA-N 298.364 0.596 0 50 CCAA Cc1cccc(C(=O)NCCN2CCN(C)CC2)c1 22933438 SLRGQQBHNNPZDD-UHFFFAOYSA-N 261.369 0.972 0 50 CCAA CCn1nc(C(=O)O)c2c1CC[C@H](NCCC(=O)OC)C2 67974019 BLMGQWIEXXBWSY-VIFPVBQESA-N 295.339 0.611 0 50 CCAA CCC[C@@](C)(O)C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328618683 DXEYJNGCOGOVOZ-BXUZGUMPSA-N 280.372 0.776 0 50 CCAA Cn1nc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1O 863981714 LBITXPGFLGCYIS-LSJOCFKGSA-N 293.323 0.984 0 50 CCAA Cc1n[nH]cc1CN1CCC[C@H]1c1nc(C(N)=O)no1 328656845 ZRVHNCJVTUEXNM-VIFPVBQESA-N 276.300 0.537 0 50 CCAA C[C@@]1(C(=O)NCCSc2cn[nH]n2)CCCCO1 67490676 DUWDEPSOZDYYQV-NSHDSACASA-N 270.358 0.972 0 50 CCAA O=C([C@@H]1CCc2nncn2C1)N1CCC(F)(F)C1 328952787 IAHRKPPRQYHTNK-MRVPVSSYSA-N 256.256 0.708 0 50 CCAA Cc1nc(C)c(CC(=O)N2CC(c3ccccn3)C2)c(=O)[nH]1 72149012 JVXOHTZJMCNVKL-UHFFFAOYSA-N 298.346 0.950 0 50 CCAA Cc1n[nH]nc1C(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 219013650 AMEORZRHQVBQGW-VXGBXAGGSA-N 294.355 0.817 0 50 CCAA O=C([C@H]1COCCN1)N1CCO[C@@H](c2ccccc2F)C1 237879407 KECRAOCAUAHJFM-ZIAGYGMSSA-N 294.326 0.714 0 50 CCAA CC1(C)CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3)C1 335000612 CAHPGLFHFVRLFJ-NEPJUHHUSA-N 279.384 0.598 0 50 CCAA CC(C)[C@H](N)C(=O)N1CCC[C@H](Cn2ccnn2)C1 236723457 STYJQFYBHRTBOY-RYUDHWBXSA-N 265.361 0.500 0 50 CCAA CCn1nc(CO)c2c1CCN(Cc1cccnc1N)C2 216533911 GPTKAQXDAYVIKD-UHFFFAOYSA-N 287.367 0.931 0 50 CCAA Cc1cc(C)n(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)n1 36868971 BTALGHHCESQXLP-NSHDSACASA-N 291.311 0.035 0 50 CCAA O=C(c1cccc(=O)[nH]1)N1CCN(C2CCCC2)C(=O)C1 216356503 RAHJXWFGYBIEOI-UHFFFAOYSA-N 289.335 0.602 0 50 CCAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cnc2ccccn2c1=O 218891952 JRISTZRDKIRYNB-USWWRNFRSA-N 285.303 0.602 0 50 CCAA Cc1cc(C)n(CCNC(=O)N2CCC[C@H](C(N)=O)C2)n1 426433550 DVNIZVNFALEJSN-LBPRGKRZSA-N 293.371 0.407 0 50 CCAA CS(=O)(=O)NCCC(=O)N[C@H]1CC[C@@H]2CCC[C@@H]21 82114395 FJIXXMLVJRSZIB-DCAQKATOSA-N 274.386 0.621 0 50 CCAA CC(=O)N1CCCC[C@H]1C(=O)NCCn1ccnc1 221428442 MWVQVAVSPLXIOM-LBPRGKRZSA-N 264.329 0.400 0 50 CCAA Cc1noc(CSCC(=O)N2CCn3cncc3C2)n1 426495587 IYBXWSPCHWLJTF-UHFFFAOYSA-N 293.352 0.850 0 50 CCAA CCc1noc(CCNC(=O)c2ccc(C)n(C)c2=O)n1 426395403 PMYZUAUMFCIWIL-UHFFFAOYSA-N 290.323 0.612 0 50 CCAA COc1ccccc1-c1cc(C(=O)NCc2nnn[nH]2)[nH]n1 97217697 OAYFZMHOBAEDON-UHFFFAOYSA-N 299.294 0.528 0 50 CCAA NC(=O)CCN(CCc1ccccc1)C(=O)c1c[nH]nn1 97744872 TYHQGQNVGZTADT-UHFFFAOYSA-N 287.323 0.365 0 50 CCAA C[C@]1(O)CCN(C(=O)Cc2cncs2)C[C@@H]1O 96163563 ZJYNPLYFYYPNFV-ONGXEEELSA-N 256.327 0.030 0 50 CCAA COc1cccn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1=O 95515194 OMPWUKHHLYGJCK-PHIMTYICSA-N 280.324 0.493 0 50 CCAA Cn1cc(O[C@@H]2CN(c3ncccc3F)C[C@H]2O)cn1 624423113 VVAZBZLBGLNIQX-VXGBXAGGSA-N 278.287 0.583 0 50 CCAA CS(=O)(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 252539904 ORCGJOLMSLUZTP-FXPVBKGRSA-N 256.327 0.443 0 50 CCAA Cc1ncn(C)c1C(=O)NCCN1CCC(CO)CC1 534643605 SRRXUDGIZVSSIA-UHFFFAOYSA-N 280.372 0.163 0 50 CCAA COc1nc(N[C@H]2COC[C@@H]2N2CCCC2)ncc1F 534579739 LZAXLJJETXVSFG-QWRGUYRKSA-N 282.319 0.899 0 50 CCAA CCCN1C(=O)N[C@@H](Cc2nc(-c3ccco3)n[nH]2)C1=O 822919244 ZAXZTVOBHLDMMA-QMMMGPOBSA-N 289.295 0.938 0 50 CCAA Cn1cc2ncn(Cc3cc(C4CC4)n[nH]3)c(=O)c2n1 584888680 YBJNHJGJXHCIIX-UHFFFAOYSA-N 270.296 0.779 0 50 CCAA O=C(c1ccoc1)N1C[C@H](O)[C@@H](N2CCCC2)C1 670445475 MTALWTOJXYBLCN-RYUDHWBXSA-N 250.298 0.561 0 50 CCAA CS(=O)(=O)N1CCC[C@H]1c1ncnn1-c1ccncc1 670435485 YJGPHEBNIKQZNR-NSHDSACASA-N 293.352 0.759 0 50 CCAA O=C1N[C@@H](Cc2ncnn2CCCO)c2ccccc21 670434029 ZZMMUKOOGGKJIW-LBPRGKRZSA-N 272.308 0.688 0 50 CCAA Cc1cc(O)nc(N2CC[C@H](NC(=O)[C@]3(C)C[C@H]3F)C2)n1 1875278690 WHKPFDWDUGKTPI-IMSIIYSGSA-N 294.330 0.934 0 50 CCAA Cc1nc[nH]c1CNC(=O)C1([C@]2(O)CCCNC2)CCC1 1875392817 VOJUQROWIVGYDU-HNNXBMFYSA-N 292.383 0.619 0 50 CCAA CC(=O)N[C@@H](C)Cc1ccc(S(N)(=O)=O)cc1 1875321394 HEQCIUSQKUVYCS-QMMMGPOBSA-N 256.327 0.401 0 50 CCAA CCc1noc(-c2nc3ncc(CCO)cn3n2)n1 1875339983 GJOYMTDFQQYOTF-UHFFFAOYSA-N 260.257 0.272 0 50 CCAA COC(C)(C)CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 871251065 JHDHMFVXNDXQOQ-SNVBAGLBSA-N 271.361 0.708 0 50 CCAA C[C@H]1CN(C(=O)CN2[C@H]3CC[C@@H]2C[C@H](O)C3)C[C@@H](C)O1 1506426440 OPXRSUXZDYNXQE-KCLGILNXSA-N 282.384 0.610 0 50 CCAA Cc1cnc2c(c1)N(C(=O)CN1CCN(C)C(=O)C1)CC2 888144591 NCAYERLSPKFHKI-UHFFFAOYSA-N 288.351 0.053 0 50 CCAA C=Cn1nccc1CN(C)CCS(=O)(=O)CC 1775993197 CQPCWSIQFHTVKZ-UHFFFAOYSA-N 257.359 0.850 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cnn(CC2CC2)c1 630357983 XQRGMAYGRZJOBL-CABZTGNLSA-N 276.340 0.690 0 50 CCAA CN1CCN(c2ccc(C=O)c(S(C)(=O)=O)c2)CC1 42684446 RGSLNJIEVKCBHC-UHFFFAOYSA-N 282.365 0.654 0 50 CCAA in-vitro CC(C)(C)OC(=O)N1CCN2CCNC(=O)[C@H]2C1 91304114 WBICUXWLVLRGDT-SECBINFHSA-N 255.318 0.038 0 50 CCAA in-vitro CC[C@@H]1OCCC[C@@H]1C(=O)NCc1nnn(C)n1 408355278 RDVDIXBLLNEVAO-IUCAKERBSA-N 253.306 0.032 0 50 CCAA CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)O)C1=O 408513616 VSUIXZCDZVHFEE-UHFFFAOYSA-N 292.247 0.465 0 50 CCAA Cn1ncc(C2CC2)c1CNC(=O)N1CCO[C@H](CO)C1 666580574 JXIYHNOTOYJTQN-NSHDSACASA-N 294.355 0.200 0 50 CCAA O=C(COCC1CC1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 583620424 NXLUGJQHRMKNHV-BFHYXJOUSA-N 283.368 0.801 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(c2ccnc(C(C)C)n2)C1 583617294 CCNSGZPYKMSXMB-UWVGGRQHSA-N 264.329 0.679 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@H]1CC[C@H](O)CC1 901190859 NWERCAOISNJPAT-XYPYZODXSA-N 254.330 0.441 0 50 CCAA Cc1cc(N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)ccn1 1529159654 WZCBVGFRWRXOGM-WCQYABFASA-N 299.396 0.079 0 50 CCAA CN=c1[nH]nc([C@H]2CCCN(S(C)(=O)=O)C2)s1 1857526020 YTJAYDYDFXFEHU-ZETCQYMHSA-N 276.387 0.141 0 50 CCAA CN1C(=O)CCO[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 1857700642 ZBHUCLUDDKGXSB-QWRGUYRKSA-N 263.297 0.086 0 50 CCAA CCC[C@@]1(CO)CN(c2n[nH]c(=N)s2)CC[C@H]1O 1857718451 URCDZXVLLGSPTL-KCJUWKMLSA-N 272.374 0.300 0 50 CCAA CC[C@@H](CO)N1CCN(C(=O)c2cc(C)no2)CC1 305716031 UHRANGBKRDYQJS-NSHDSACASA-N 267.329 0.512 0 50 CCAA Cc1nc(CC(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)cs1 1772815312 GKXYNJVULIHGEY-PWSUYJOCSA-N 293.392 0.931 0 50 CCAA OC[C@@]12CNC[C@H]1CN(Cc1ccn3nccc3c1)C2 1772711405 IDFBONWXZVDIGJ-ZFWWWQNUSA-N 272.352 0.348 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](Cn1cccn1)C(=O)O 12648464 JPGQESMEFISORC-QMMMGPOBSA-N 255.274 0.861 0 50 CCAA Cc1cc(C(=O)N2CCO[C@H](CCN(C)C)C2)n[nH]1 19939640 PGHBZDQSFINQOE-LLVKDONJSA-N 266.345 0.511 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1ccc(O)c(F)c1 169980564 NTERASUSORURQS-UHFFFAOYSA-N 256.082 0.785 0 50 CCAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cnn[nH]1 223073662 LSTWVGHHCPNFSS-WCQGTBRESA-N 287.323 0.312 0 50 CCAA Cn1nccc1[C@H]1[C@@H](C(=O)O)CCC(=O)N1C1CC1 159895827 NPNXGLHTMSDKNU-JOYOIKCWSA-N 263.297 0.947 0 50 CCAA COc1ccc2c(c1)CN(C(=O)[C@H]1NCCO[C@@H]1C)CC2 648048365 JHOCNJNMVJHQSE-ABAIWWIYSA-N 290.363 0.957 0 50 CCAA Cc1noc(CCCC(=O)N[C@H]2CCC(=O)NC2(C)C)n1 338691204 CVLFCLMHOYWRNQ-JTQLQIEISA-N 294.355 0.874 0 50 CCAA CCc1ncc(S(=O)(=O)N2CCC[C@H](C3(O)CC3)C2)[nH]1 1772804259 KQBOELZKXSJFIW-JTQLQIEISA-N 299.396 0.898 0 50 CCAA C=CC(=O)N(C)CC(=O)N[C@@H](C)c1ccncc1OC 861193859 ZXNAFUOABOQBME-JTQLQIEISA-N 277.324 0.912 0 50 CCAA COc1ccc(NC(=O)[C@H]2COCCO2)c(C(=O)O)c1 110303348 QJOSZBRMIJIMNV-LLVKDONJSA-N 281.264 0.747 0 50 CCAA CNc1nc(C)cc(C(=O)N(C)C[C@H]2CCOC2)n1 280907520 FITBRYDXXIPILF-SNVBAGLBSA-N 264.329 0.935 0 50 CCAA CC(=O)NCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 407961346 DJRBBBWUQGDNBE-UPJWGTAASA-N 268.357 0.665 0 50 CCAA CC(C)OCCC(=O)N1CCC[C@@](O)(C(=N)O)C1 330581255 RQPLACQYZSVACC-LBPRGKRZSA-N 258.318 0.690 0 50 CCAA O=C(Cc1ccncc1)NCC1(CO)CCOCC1 534583233 YADJVJKZUMCCDC-UHFFFAOYSA-N 264.325 0.529 0 50 CCAA CC(C)C[C@@H](C(=O)O)N1CCC[C@H](N2CCNC2=O)C1 629483707 KDEVIDAXYORIAX-RYUDHWBXSA-N 283.372 0.975 0 50 CCAA C[C@]1(O)CCN(CCn2cc(Cl)cn2)C[C@@H]1O 96150966 ICUMITHHIYYTEF-QWRGUYRKSA-N 259.737 0.354 0 50 CCAA C[C@@H]1CCN(C(=O)NCc2cnn(C)n2)C[C@H]1C(=O)O 693431774 QJUMFUYCBZMGDO-PSASIEDQSA-N 281.316 0.067 0 50 CCAA CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 398512108 NFBDJLNDFJNHLB-NSHDSACASA-N 293.348 0.315 0 50 CCAA CN1CCN(Cc2noc3c2CCCC3)C[C@@H]1CO 828724538 KZBSIMRDRXEBPR-LLVKDONJSA-N 265.357 0.662 0 50 CCAA NC(=O)C1CCN(C(=O)CSc2ccccn2)CC1 118793 ZMBJISZBTDLJMG-UHFFFAOYSA-N 279.365 0.898 0 50 CCAA COc1cncn(Cc2cc(Cl)n(C)n2)c1=O 918520648 CQCMUAWXKQOGRH-UHFFFAOYSA-N 254.677 0.687 0 50 CCAA COc1ccc(CC2C(=O)NC(=S)NC2=O)c(OC)c1 245366 GGDPZTFPMQCGMH-UHFFFAOYSA-N 294.332 0.393 0 50 CCAA O=S1(=O)N=C(NCCCCO)c2ccccc21 2944213 GFRLOVHISTUQIF-UHFFFAOYSA-N 254.311 0.498 0 50 CCAA CCOc1ncccc1C(=O)N1C[C@@H]2CNC(=O)[C@@H]2C1 2356165297 BOSXIIJGQWSSSJ-GXSJLCMTSA-N 275.308 0.298 0 50 CCAA Cn1ccnc1Nc1nccc(N2CCC[C@@H](O)C2)n1 2356165627 LONBXMGIJZDIFF-SNVBAGLBSA-N 274.328 0.915 0 50 CCAA C[C@@H]1OCC[C@]1(O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 228056963 SFFZCLWLFYRIRZ-HNRZYHPDSA-N 255.358 0.929 0 50 CCAA CCOc1ccc(-n2c(Cc3nnn[nH]3)n[nH]c2=O)cc1 65381285 KYXMKEBCZBDWQK-UHFFFAOYSA-N 287.283 0.063 0 50 CCAA COc1c(O)nc(O)nc1C(=O)N1C[C@H]2CCC[C@H]2C1 352060220 SUYQYZHBJFRFLP-OCAPTIKFSA-N 279.296 0.769 0 50 CCAA COc1ccc(-n2c(CN)n[nH]c2=O)cc1OC 67740986 GHJZVIVBLRYEEC-UHFFFAOYSA-N 250.258 0.037 0 50 CCAA Cc1ccnc(NCCNCC(=O)Nc2cnccn2)c1 65469112 UYRVGLMZIONPPD-UHFFFAOYSA-N 286.339 0.820 0 50 CCAA COCCN1C[C@H](NC(=O)c2ccncc2)CC1=O 222387024 SNMSFXRSSUTHSH-LLVKDONJSA-N 263.297 0.059 0 50 CCAA c1ccc(CCc2n[nH]c(Cn3cnnn3)n2)cc1 65425676 ITCWUUCNJNOVMT-UHFFFAOYSA-N 255.285 0.625 0 50 CCAA CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 170624196 CFYMYWQABMNQQM-UHFFFAOYSA-N 299.334 0.708 0 50 CCAA CC(C)[C@@H](CN1CCOCC1)NC(=O)c1ncccn1 252539124 NSPKWXWERSUTPA-GFCCVEGCSA-N 278.356 0.563 0 50 CCAA O=C(C[C@H]1CNCCO1)N(C[C@@H]1CCCN1)C1CC1 328642934 RFHLHXDOQOHCFQ-AAEUAGOBSA-N 267.373 0.108 0 50 CCAA CCN1CCN(C(=O)CCOC)C[C@@H]1c1ncc[nH]1 328628577 NXIBEISBVRTXOY-LLVKDONJSA-N 266.345 0.651 0 50 CCAA O=C(CCn1ccnn1)N1C[C@]2(CCCO2)[C@H]1C1CC1 329340623 RQPWAXYTDSTCSA-ZIAGYGMSSA-N 276.340 0.838 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@@H](C)N1 153537420 VHUZADZIUJELQA-DTORHVGOSA-N 262.313 0.003 0 50 CCAA Cc1nnc(CCNC(=O)[C@@H](O)CC(C)C)s1 216002343 SHDNTJMLIFABLL-VIFPVBQESA-N 257.359 0.912 0 50 CCAA CN(C)S(=O)(=O)c1ccc(Cl)c(C(N)=O)c1 33359681 ONFPKXXSHXFURO-UHFFFAOYSA-N 262.718 0.689 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2sc(NC)nc2C)C[C@H]1O 77407808 VYUXEPLSSWFXNF-NOZJJQNGSA-N 299.396 0.841 0 50 CCAA C[C@@H]1[C@@H](NC(=O)Cn2[nH]c(=O)ccc2=O)CCC[C@H]1C 241644455 PQWPDQWFFSWUMH-VWYCJHECSA-N 279.340 0.478 0 50 CCAA CN(C[C@H]1COCCO1)C(=O)c1ccc2nccn2c1 219321161 VKOSKIVXWKOOCY-LBPRGKRZSA-N 275.308 0.822 0 50 CCAA Cc1cc(CNC(=O)[C@@H](C)N2CCN(C)CC2)cnc1C 426606767 QARCEYCSTQTIMS-CQSZACIVSA-N 290.411 0.951 0 50 CCAA CSc1nsc(NC(=O)NCCN(C)C)n1 180700469 MRIVCCDYHFAOQJ-UHFFFAOYSA-N 261.376 0.943 0 50 CCAA Cc1ccn2c(C(=O)N[C@H]3COC[C@@H]3O)c(C)nc2c1 426512381 YHQRRUOBJQANJM-QWRGUYRKSA-N 275.308 0.441 0 50 CCAA Cc1ccc2c(O)c(C(=O)N3CCNCC3)cnc2n1 237886674 VJCUFVCUMVEEQY-UHFFFAOYSA-N 272.308 0.689 0 50 CCAA CCCc1cc(C(=O)NCc2cc(=O)[nH]c(C)n2)[nH]n1 91426399 NDWXKZYDCQWLPR-UHFFFAOYSA-N 275.312 0.684 0 50 CCAA Cc1ccc2nc(C(=O)NCCn3cc(C)nn3)cn2c1 91416715 MCOGCIFTPZRLSJ-UHFFFAOYSA-N 284.323 0.973 0 50 CCAA COCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccn[nH]2)C1 91644700 JHECWTPJVKOORD-ZDUSSCGKSA-N 281.312 0.753 0 50 CCAA CN(C)c1ccncc1CN1CCO[C@H]2CNC[C@H]21 299743134 LZSBNVSEFZPEIU-KGLIPLIRSA-N 262.357 0.320 0 50 CCAA O=C(CNC[C@@H]1CCCO1)N1CCO[C@@H]([C@H]2CCCO2)C1 299739853 SFYMLVXOGMIDBB-BFHYXJOUSA-N 298.383 0.161 0 50 CCAA CC1=NO[C@@H](CNC(=O)c2cc(O)nc(C3CC3)n2)C1 854804068 UKFUGVDRYPXXPA-SECBINFHSA-N 276.296 0.954 0 50 CCAA COCC1(CNC(=O)CN2CCCC2=O)CCCC1 456854221 FXDBGQBCGMDFBP-UHFFFAOYSA-N 268.357 0.932 0 50 CCAA CSc1nc(=NC(=O)c2nnc3n2CCCC3)[nH]s1 1940195743 JONXFVDPFGYSIS-UHFFFAOYSA-N 296.381 0.862 0 50 CCAA CC(C)c1nnc([C@H](C)NC(=O)CNC(N)=O)o1 299762437 VFVNBANEJRUZDR-LURJTMIESA-N 255.278 0.039 0 50 CCAA Cn1c(CO)nnc1C1CCN([C@@H]2CCOC2)CC1 828839039 ASVGGFBSPHUTTI-LLVKDONJSA-N 266.345 0.276 0 50 CCAA Cn1ccn2ncc(C(=O)NCCCn3ccccc3=O)c12 584899628 TWWUSMKWEUZFMS-UHFFFAOYSA-N 299.334 0.655 0 50 CCAA CNc1nc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2OC)cs1 584896371 BMUNYLOCTXQMIU-ONGXEEELSA-N 298.412 1.022 0 50 CCAA Cc1noc(CN2CCC3(CC2)CN(C)C(=O)CO3)n1 670453309 RIFACBRAFONIGR-UHFFFAOYSA-N 280.328 0.201 0 50 CCAA CN(C)S(=O)(=O)NCCCc1csc(N)n1 670473650 IXBZSIUGTFBXJX-UHFFFAOYSA-N 264.376 0.054 0 50 CCAA CC(C)(O)c1n[nH]c(CNC(=O)N2CCCC2)n1 1875282393 BPYXSONJSYGNCQ-UHFFFAOYSA-N 253.306 0.338 0 50 CCAA Cc1no[nH]c1=NC(=O)[C@H](C)NC(=O)C1CCCCC1 1875264397 ILVSLFYKDIRMLX-VIFPVBQESA-N 280.328 0.823 0 50 CCAA CN(CC(=O)O)C(=O)[C@@H]1CC[C@]2(C[C@@H]2C(=O)O)C1 1875291452 ZSSORUZDRUNULT-DNSOKLHBSA-N 255.270 0.420 0 50 CCAA COC(=O)c1cc(CN2CC[C@@H](CO)C2)n(C)n1 1875281451 BLWBZWYONBOJOE-SECBINFHSA-N 253.302 0.021 0 50 CCAA C=CC(=O)NCC(=O)N1C[C@@H](C)[C@H](C(F)(F)F)C1 1875371047 MWFBXNOIECRILM-HTQZYQBOSA-N 264.247 0.945 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@H](C)c1c(C)nn(C)c1C 1875311945 PQYACXKFLBTUIX-XCODYQFDSA-N 279.340 0.986 0 50 CCAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CS1 1875300905 VPBAFTYLLDZMDW-MBXMOIHESA-N 271.338 0.629 0 50 CCAA CC(C)C[C@@H]1NC(=O)[C@H](CCCCN(C)C)NC1=O 952973814 YPTMRPYBHPRCHI-RYUDHWBXSA-N 269.389 0.748 0 50 CCAA COC[C@@H](NC(=O)c1nccn1C)c1ccnn1C 952982234 KAPNRHMNOLXUSY-SECBINFHSA-N 263.301 0.271 0 50 CCAA CC(C)C[C@@H]1CN(C)CCN1C(=O)Cn1cnc(N)n1 886599514 AGZNFGSMBVTTHQ-LLVKDONJSA-N 280.376 0.049 0 50 CCAA Cc1cc(O)nc(N2CCN3CCOC[C@@H]3C2)n1 1337833006 SCBNDUXMINEOAT-JTQLQIEISA-N 250.302 0.011 0 50 CCAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H]1CCCCO1 275346043 LXIZNUPQUZXNNU-TUAOUCFPSA-N 279.340 0.935 0 50 CCAA C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 111713344 MPWAIPJGAOSGST-QWRGUYRKSA-N 269.370 0.830 0 50 CCAA CCOC(=O)[C@]1(C(C)C)CCN(S(C)(=O)=O)C1 193551389 UWZFMKVCQWFLTI-LLVKDONJSA-N 263.359 0.857 0 50 CCAA Cc1noc2ncnc(N3CCN(C(C)C)C(=O)C3)c12 669656330 JQKFSESZCRHCQD-UHFFFAOYSA-N 275.312 0.983 0 50 CCAA Cc1cc(COCC(=O)N[C@@H]2CCC(=O)NC2(C)C)on1 670004108 LHJYICVSXQCABH-LLVKDONJSA-N 295.339 0.673 0 50 CCAA Cc1n[nH]c(C)c1CCNC(=O)c1ccc2c(c1)COB2O 584996261 CHVSPLUZWAHGOS-UHFFFAOYSA-N 299.139 0.217 0 50 CCAA O=C(NCCn1cc(Br)cn1)[C@H]1C[C@@H](O)C1 822895664 VOJATGRRXRWGCX-OTSSQURYSA-N 288.145 0.533 0 50 CCAA N[C@H]1CC[C@H](NC(=O)c2cnnn2-c2ccccc2)C1 211496640 TYOYOKYHJDTBNK-QWRGUYRKSA-N 271.324 0.877 0 50 CCAA CCOC1CC2(C1)C[C@H]2NC(=O)c1cnc(C(=O)O)cn1 1603827344 CVIJFVCSJQUUPN-IYXOAMITSA-N 291.307 0.862 0 50 CCAA NC1(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CCCC1 1615546211 MNQKZBSXBUVPHD-ZYHUDNBSSA-N 291.317 0.916 0 50 CCAA Cc1ncc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c(C)n1 1616034362 JKYPAXVUFQIKAZ-NWDGAFQWSA-N 278.400 0.980 0 50 CCAA COCCn1nccc1C(=O)NCc1cccnc1 1875264538 ZAKDKYTXMVFWGQ-UHFFFAOYSA-N 260.297 0.855 0 50 CCAA Cc1noc(C2(NC(=O)C3CC3)CCOCC2)n1 1875266327 XUEYGNAVCYMFBE-UHFFFAOYSA-N 251.286 0.910 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1c(F)ccc2nc[nH]c12 1634815005 OPTHFGQWKKTBSF-UHFFFAOYSA-N 290.298 0.963 0 50 CCAA CC(=O)NCC1CCN(C[C@H]2CCC(=O)N(C)C2)CC1 1775983981 XIAUCCATTLWUOE-AWEZNQCLSA-N 281.400 0.703 0 50 CCAA CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@@H](O)CO)O1 14586355 UISOMPJTKIBFPF-SGIHWFKDSA-N 262.302 0.011 0 50 CCAA CN1CC[C@@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1=O 19883876 RPEDWZZKUHKAED-YPMHNXCESA-N 274.320 0.727 0 50 CCAA Cc1nnc(CCNC(=O)[C@@H]2CCc3ncnn3C2)s1 1857725760 LORJENSGAXTDSJ-SECBINFHSA-N 292.368 0.359 0 50 CCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC1 6702862 VTDDTYGIUIGOGW-UHFFFAOYSA-N 268.338 0.878 0 50 CCAA O=S1(=O)CC[C@@H](CCN2C[C@H]3C[C@@H](O)C[C@H]3C2)C1 1775982299 JHYUPTDEBBALNZ-FVCCEPFGSA-N 273.398 0.514 0 50 CCAA CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)[C@@H](O)C[C@@H]1C(=O)O 1857780988 BVMVWWUBGXLVSA-QEYWKRMJSA-N 289.328 0.344 0 50 CCAA Cc1cc(C)n(C2CN(C(=O)c3cnc(O)cn3)C2)n1 222727830 GTBZUIQGWWGJQX-UHFFFAOYSA-N 273.296 0.693 0 50 CCAA CN(C)c1cc(NC2CCS(=O)(=O)CC2)ncn1 65380404 CYUWOXBLLAGLKJ-UHFFFAOYSA-N 270.358 0.532 0 50 CCAA Cc1nnc(CCNc2ncnc3c2cnn3C)n1C 575004172 BGLIGYIWSLGMNW-UHFFFAOYSA-N 272.316 0.455 0 50 CCAA CC[C@H](CNC(=O)N1CC(O)(C2CC2)C1)C(=O)O 395166803 DBSLDFWKKCXLPZ-MRVPVSSYSA-N 256.302 0.264 0 50 CCAA CCc1nc(Cl)cc(N[C@H]2CCC(=O)NC2=O)n1 125178453 OSMFIYWNAOJONM-LURJTMIESA-N 268.704 0.910 0 50 CCAA NC[C@H](CO)NC(=O)c1cc2cc(Cl)ccc2[nH]1 2325797843 XOFDLTLFAZSQPR-SECBINFHSA-N 267.716 0.871 0 50 CCAA O=C(O)CC[C@H]1C[C@@H](N=c2ccc3nnc(CO)n3[nH]2)C1 2325848941 XBKXJRZSDMMELJ-DTORHVGOSA-N 291.311 0.094 0 50 CCAA O=C(NCc1cccc2nn[nH]c12)c1ccn2ncnc2c1 2325876078 KBHOUIKANJANBR-UHFFFAOYSA-N 293.290 0.931 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)O 2560869 PLJXCLBLFPFXEN-MRVPVSSYSA-N 272.301 0.587 0 50 CCAA Cc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1C 2876267 RKCZDZMCIPPVEP-UHFFFAOYSA-N 259.265 0.932 0 50 CCAA NS(=O)(=O)CCc1ccncc1Br 1857780287 CAIKZFDXNZBHMW-UHFFFAOYSA-N 265.132 0.675 0 50 CCAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cc(C2CC2)n[nH]1 20138422 QXFNFKLBBBMHKS-MRVPVSSYSA-N 267.310 0.328 0 50 CCAA CO[C@@]1(C)CCCN(C(=O)N2CCS(=O)(=O)CC2)C1 408334619 PTWWSVIBUSDJOL-LBPRGKRZSA-N 290.385 0.338 0 50 CCAA O=C(C1CCOCC1)N1CCC[C@@H](CN2CCOCC2)C1 69711184 XJADBUUAJIQLGR-AWEZNQCLSA-N 296.411 0.984 0 50 CCAA O=C(Nc1ccn([C@@H]2CCNC2)n1)[C@@H]1CSCCS1 328635117 UMIJYZDVABDXFB-ZJUUUORDSA-N 298.437 1.205 0 50 CCAA C[C@@H](C(=O)N1CC(=O)NCC1(C)C)c1ccnn1C 333776784 SQZBDFVENVSRCC-SECBINFHSA-N 264.329 0.261 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1C(=O)c1cccn(C)c1=O 330569929 XRANOSVPKWOHFN-QWRGUYRKSA-N 280.324 0.261 0 50 CCAA CCn1cc(CCN2C(=O)[C@](C)(COC)N=C2O)cn1 330796095 DOJZTYQCZPLNQC-ZDUSSCGKSA-N 280.328 0.607 0 50 CCAA COC[C@H](C)C(=O)N1CCCC[C@H]1c1nc(O)n[nH]1 330806488 LGXHMSQSOVXEHW-IUCAKERBSA-N 268.317 0.846 0 50 CCAA CNC(=O)c1ccc(CN2C[C@@H](OC)C[C@H]2C(N)=O)cc1 284549237 LILNANZPHNLVMY-STQMWFEESA-N 291.351 0.121 0 50 CCAA CCc1cc(O)nc(CN2CCCN([C@@H](C)CO)CC2)n1 364953137 DYOLKHMKJUHINY-LBPRGKRZSA-N 294.399 0.633 0 50 CCAA CN(Cc1cn[nH]c1C(=O)O)C[C@@H]1CC(=O)N(C)C1 214963455 WQEPXZRYLUWBMB-QMMMGPOBSA-N 266.301 0.018 0 50 CCAA CC(C)[C@@H](C(=O)NCCC(=O)O)N1CCCC1=O 262280099 WLDWCIFKGQSZPL-NSHDSACASA-N 256.302 0.224 0 50 CCAA Cc1nc2ncccn2c1C(=O)NCCN1CCOCC1 216202794 MITWPTMTUBHEMB-UHFFFAOYSA-N 289.339 0.100 0 50 CCAA CN1CC[C@@H]2OCCN(C(=O)CCc3cnn(C)c3)[C@H]2C1 285658089 GHYJHWLNQUOLNP-KBPBESRZSA-N 292.383 0.284 0 50 CCAA Cn1ccnc(N2CCN(C(=O)c3ccco3)CC2)c1=O 608014487 CYBNJGMZDKCJFG-UHFFFAOYSA-N 288.307 0.336 0 50 CCAA CC(=O)NCCNC(=O)NCc1cc(C(C)(C)C)n[nH]1 426432077 WMBBXHCSNDXPOJ-UHFFFAOYSA-N 281.360 0.643 0 50 CCAA O=C(O)CNC(=O)C1(N2CCCC2)CCCCC1 426415706 YZGXCLDAJJRTLG-UHFFFAOYSA-N 254.330 0.986 0 50 CCAA CC(C)c1nc(CN(C)C(=O)CCn2cnnn2)no1 82136715 AXMALGCIMDZHGT-UHFFFAOYSA-N 279.304 0.228 0 50 CCAA CNc1ncccc1C(=O)N[C@@H](C(=O)O)C(C)C 426494416 MBSUZRIVHZJSSI-SECBINFHSA-N 251.286 0.962 0 50 CCAA CCN1CCC[C@@](C)(C(=O)NCCn2ccnn2)C1 426563525 TUZBMUSYIFEWTH-CYBMUJFWSA-N 265.361 0.516 0 50 CCAA O=C1CN(C(=O)CN(Cc2ccccn2)C2CC2)CCN1 181367244 NETABFOCSUXBGY-UHFFFAOYSA-N 288.351 0.004 0 50 CCAA NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCOCC1 97402384 AIBSSWQYZJVPLI-ZDUSSCGKSA-N 292.335 0.331 0 50 CCAA O=c1nc(CN2CC[C@@H](n3cnc4c3CCCC4)C2)[nH][nH]1 299745204 WOXOQJGSXQCUGL-SNVBAGLBSA-N 288.355 0.620 0 50 CCAA O=C(NC[C@@H]1CCNC[C@H]1O)c1ccc2c(c1)CCC2 534673119 CYDPBJRFGGMLME-LSDHHAIUSA-N 274.364 0.876 0 50 CCAA O=C(O)CN1CCN(Cc2cccc3cc[nH]c23)CC1=O 534649545 IWTYLRTXJGRLFF-UHFFFAOYSA-N 287.319 0.897 0 50 CCAA O=C(N[C@H](C(=O)O)C1CC1)c1ccccc1-n1cncn1 534585936 VYWJIQBDGPUZCE-LBPRGKRZSA-N 286.291 0.860 0 50 CCAA O=C([C@@H]1CNCCO1)N1CCC(Oc2ccncc2)CC1 299789293 ZOYNKZBDKKNLED-AWEZNQCLSA-N 291.351 0.440 0 50 CCAA CCCCS(=O)(=O)N1CCOC[C@H](CN(C)C)C1 822880466 SOADNQINTYGNFW-GFCCVEGCSA-N 278.418 0.626 0 50 CCAA CCS(=O)(=O)NC[C@H](C)NC1(C(N)=O)CCCCC1 823412876 YZEMEXKQUOOEFQ-JTQLQIEISA-N 291.417 0.092 0 50 CCAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1 255798 PKTUQLQWABBNKT-UHFFFAOYSA-N 257.311 0.716 0 50 CCAA CN(CCO)C1CCN(C(=O)C[C@@H]2CCOC2)CC1 584902113 KLACNVMCTVGDID-LBPRGKRZSA-N 270.373 0.328 0 50 CCAA CCN1CCN(C(=O)C[C@@H]2CN(C(C)C)CCO2)CC1=O 584892662 IURVMJDKXLKSCX-CYBMUJFWSA-N 297.399 0.176 0 50 CCAA CNC(=O)[C@@]12CCOC[C@@H]1CN(c1ncc(F)cn1)C2 952852352 AGUXNMAIQORQHD-TVQRCGJNSA-N 280.303 0.205 0 50 CCAA CC1(C)CN(S(=O)(=O)c2cnc3[nH]cncc2-3)CCO1 952994591 ZCVBFYSGUAKORD-UHFFFAOYSA-N 296.352 0.709 0 50 CCAA Cn1nccc1[C@H](N)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 958527935 IZNTVKINVWQQRN-FZMZJTMJSA-N 296.371 0.792 0 50 CCAA O=C1OC[C@H]2CN(C(=O)c3cc(O)nc(C4CC4)n3)C[C@@H]12 1773926106 BKHSSFUAANTVBM-RKDXNWHRSA-N 289.291 0.305 0 50 CCAA COCc1nccc(N2CCN(C3COC3)CC2)n1 893074840 STUHQZPBJWSALP-UHFFFAOYSA-N 264.329 0.144 0 50 CCAA CCc1c[nH]c2ncnc(N3CCN(C(=O)CO)CC3)c12 893001170 OKYBGUVTUSRLOJ-UHFFFAOYSA-N 289.339 0.161 0 50 CCAA O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)C1CCNCC1 1775961284 NJAFFSMCHLOSJJ-RYUDHWBXSA-N 291.317 0.644 0 50 CCAA CCOCC(=O)N[C@@H](Cc1ccc(O)c(OC)c1)C(=O)O 1775997771 LRXGYOFFGZBCLS-JTQLQIEISA-N 297.307 0.549 0 50 CCAA CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(=O)NC1=O 1776000047 OCZYFSWFZCTIPT-ZJUUUORDSA-N 294.282 0.514 0 50 CCAA Cn1nc(C(=O)N[C@@]23CCC[C@H]2NCC3)cc1O 1342438261 VZWHYMZHVRZWTG-BXKDBHETSA-N 250.302 0.140 0 50 CCAA CN1CCN(C(=O)C2=COCCC2)C[C@@H]1c1nccn1C 276505777 CDFVQXGNLGILAH-CYBMUJFWSA-N 290.367 0.930 0 50 CCAA Cc1cc(CN(C)S(=O)(=O)NCC(F)(F)F)no1 170613315 IIHRWFWEHSOFFG-UHFFFAOYSA-N 287.263 0.812 0 50 CCAA Cn1nccc1[C@H]1CCCCN1C(=O)c1c[nH]nn1 281958520 IMWDOPMRYYLXCJ-LLVKDONJSA-N 260.301 0.906 0 50 CCAA O[C@H]1CO[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 95495918 KRNWQNYQBBRLMC-CLPYTZEMSA-N 252.266 0.221 0 50 CCAA in-vitro CC[C@@H](C)S(=O)(=O)NC(=O)c1nn(CC)nc1C 408134421 UCYMYFKEHLYCQR-SSDOTTSWSA-N 274.346 0.465 0 50 CCAA C[C@H]1CN(C(=O)[C@H](C)N2CCn3ccnc3C2)C[C@@H](C)O1 222208007 HOPCINRXSASOKR-XQQFMLRXSA-N 292.383 0.723 0 50 CCAA Cc1noc(C)c1C(=O)N1CCO[C@](C)(C(=O)O)C1 711534006 AANIFFMTSPFIJD-LBPRGKRZSA-N 268.269 0.607 0 50 CCAA CC[C@@H](COC)NC(=O)N1CCN(C(=O)C2CC2)C1 566731413 XRKOMUREVYPWGR-NSHDSACASA-N 269.345 0.633 0 50 CCAA CCn1ccc(CC(=O)N(CC(=O)O)C2CCC2)n1 655586815 DUXSFCJOCKJFFW-UHFFFAOYSA-N 265.313 0.911 0 50 CCAA COc1ccc(CN2CCN(C)[C@@H](C(=O)O)C2)cc1O 67692483 KJEFPVGHQGYTTM-LLVKDONJSA-N 280.324 0.601 0 50 CCAA C[C@]1(O)C[C@@H](NS(=O)(=O)c2ccc3nc(O)oc3c2)C1 668352179 NBGWSOKZAPZTLY-OGXFKERWSA-N 298.320 0.725 0 50 CCAA CCNc1ccnc(N2CCOC[C@H](CN(C)C)C2)n1 1506405861 IFQHIZCGENRXCT-GFCCVEGCSA-N 279.388 0.923 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1C(=O)C1CCC(O)CC1 408039371 WYZSFEWMWNMPIM-MVKMKZAISA-N 271.357 0.800 0 50 CCAA O=C(NCCS(=O)(=O)C1CC1)c1cn2cccnc2n1 1615589292 AKCACIWSLIFDMW-UHFFFAOYSA-N 294.336 0.036 0 50 CCAA COC[C@@H]1CCCN1C(=O)Cc1c(O)n[nH]c1C 1857691440 LIFSVEASNYPFNP-VIFPVBQESA-N 253.302 0.604 0 50 CCAA NC(=O)c1cc(NC(=O)Cc2cccc(F)c2)n[nH]1 676107243 GAZZYWHRQYSDGB-UHFFFAOYSA-N 262.244 0.829 0 50 CCAA N[C@H]1CCC[C@@H](CN2C[C@H]3[C@@H](C2)C3(CO)CO)C1 1772703125 CHAZOWRHKPWVHO-XQHKEYJVSA-N 254.374 0.037 0 50 CCAA C[C@]1(O)CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)C1 375090244 NPDHWJHOZBKISA-KOLCDFICSA-N 296.289 0.233 0 50 CCAA COCC1=C(C(=O)OC)[C@H](c2ccco2)n2ncnc2N1 18068836 JEYKYUASOQYJSV-NSHDSACASA-N 290.279 0.960 0 50 CCAA CC1(C)COC(=O)[C@@](C)([C@@]2(C)NC(C)(C)COC2=O)N1 19364709 SXTIZAYCEOYVKM-KBPBESRZSA-N 284.356 0.354 0 50 CCAA CC(C)c1nccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)n1 1857722432 HYLFSFSBLWUECK-ZYHUDNBSSA-N 279.340 0.415 0 50 CCAA COc1cccc(CC(=O)NCC(OC)OC)c1 34169951 XTVQIYBOITXGSU-UHFFFAOYSA-N 253.298 0.973 0 50 CCAA in-vitro O=C(Cc1cccnc1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1875250420 XBXMXTHRFOKTPB-DOMZBBRYSA-N 287.319 0.184 0 50 CCAA CC(C)n1ccc(=NC(=O)CN2CCCC[C@H](O)C2=O)[nH]1 644458966 KGAPPTAWAYJJAS-NSHDSACASA-N 294.355 0.198 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1conc1C1CC1 336471512 GOHRISLVBJMURL-MWLCHTKSSA-N 275.308 0.903 0 50 CCAA COc1ccc(CN(C)C(=O)[C@H](N)CO)cc1C 259023638 TUPPSVLDQPYYBW-LLVKDONJSA-N 252.314 0.282 0 50 CCAA O=C(c1ccc2nn[nH]c2c1)N1C[C@@H](F)C[C@H]1CO 368419598 MSJWNCJSYRSLDP-IUCAKERBSA-N 264.260 0.503 0 50 CCAA CN1C(=O)C[C@@H](C(=O)NCC(F)(F)CO)c2ccccc21 372956380 XQUVUQYSWFHEJB-SNVBAGLBSA-N 298.289 0.881 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)c2cc(F)cc3[nH]cnc23)CCO1 262185859 YFIFMZMRJVOJJD-JTQLQIEISA-N 293.254 0.628 0 50 CCAA CC(C)(C)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCO1 585124689 MYVWQYJHQHLQKR-MNOVXSKESA-N 289.397 0.837 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CCC([C@H](O)CO)CC1 1772708869 LHCHYTBXPCPALS-GFCCVEGCSA-N 286.759 0.884 0 50 CCAA NC[C@H]1CC2(CCN(C(=O)Nc3nncs3)CC2)CO1 900473905 VWBXAKZQMLUQCE-SECBINFHSA-N 297.384 0.900 0 50 CCAA O=C(C[C@@H]1COCCN1)N1CCO[C@H]2CCCC[C@H]21 129018713 OTRKTJHAQFRECX-UPJWGTAASA-N 268.357 0.535 0 50 CCAA Cc1noc(C)c1CNC(=O)[C@H]1NCCO[C@@H]1C 261987333 SITCEVYGNORUJF-KOLCDFICSA-N 253.302 0.285 0 50 CCAA CCn1ncnc1CNc1ccc(-n2cnnn2)cc1 290581207 VUKSUBKQZLQNTN-UHFFFAOYSA-N 270.300 0.886 0 50 CCAA O=C(CNc1nccn(C2CC2)c1=O)NCC1CC1 302030753 IILOSHUEDHZXRZ-UHFFFAOYSA-N 262.313 0.516 0 50 CCAA CNS(=O)(=O)C[C@@H]1CCCN1Cc1nccs1 332673082 REKARGBHCVJFFZ-VIFPVBQESA-N 275.399 0.657 0 50 CCAA Cc1ncn(CCNC(=O)c2cnc(N)s2)c1C 584902393 TVJDCAKXFKEDPB-UHFFFAOYSA-N 265.342 0.969 0 50 CCAA CCc1cc(N2CC[C@@](O)(CN(C)C)C2)ncn1 713651437 WGIOYGLFRZMBKC-CYBMUJFWSA-N 250.346 0.542 0 50 CCAA Cc1cccc(CCN2CCO[C@@H](c3nnnn3C)C2)n1 2100537724 SEMXYZCTYCLAQS-CYBMUJFWSA-N 288.355 0.530 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NC[C@@H](O)Cn2cccn2)n1 2325754285 JVGWJZDMECMUTF-TZMCWYRMSA-N 277.372 0.736 0 50 CCAA CCc1c[nH]nc1CNC(=O)c1cn(-c2cccnc2)nn1 2325878710 ZCJUMLSNHALIFN-UHFFFAOYSA-N 297.322 0.878 0 50 CCAA O=C1C=CC(=O)N1c1ccc(N2CCOCC2)cc1 77657 NNBAXWAPIROUSM-UHFFFAOYSA-N 258.277 0.953 0 50 CCAA CN(C(=O)CCn1cnnn1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356135224 UOZVDJBAQFDDFV-BKUVIOGVSA-N 279.344 0.071 0 50 CCAA COc1ccc(NC(=S)NCCO)c(OC)c1 2783842 LRONCLZTUCBXND-UHFFFAOYSA-N 256.327 0.983 0 50 CCAA CC(C)[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 4762519 VEYJKJORLPYVLO-NWDGAFQWSA-N 280.324 0.487 0 50 CCAA endogenous,in-man CN(CCS(=O)(=O)O)C(=O)Cc1ccccc1 6658608 QYIQIPYPHIHASI-UHFFFAOYSA-N 257.311 0.575 0 50 CCAA CC[C@@H](C)n1c(S)nc2c1c(=O)[nH]c(=O)n2C 101013385 IQNDYRDUWZXBBD-RXMQYKEDSA-N 254.315 0.683 0 50 CCAA CCN(Cc1nc(COC)no1)C(=O)c1ncccc1O 55341303 FCRFYBNHJUERQA-UHFFFAOYSA-N 292.295 0.979 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)N[C@H]1CCCN[C@@H]1C 420417885 BVYFAIUXPOUDDW-SCZZXKLOSA-N 272.374 0.147 0 50 CCAA O=C(NCCN1CCNCC1)NC1CCCCC1 22858938 ZVVXXLMKEFEGBO-UHFFFAOYSA-N 254.378 0.524 0 50 CCAA CCN1CCN(c2ncc(F)c(N3CCCC3)n2)CC1=O 65526455 DXPCFHWEZNCIBO-UHFFFAOYSA-N 293.346 0.884 0 50 CCAA CNC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 65362393 YQDRWNRVUHZDEQ-JTQLQIEISA-N 270.354 0.896 0 50 CCAA CC(C)(CNC(=O)C(C)(C)S(C)(=O)=O)C(=O)O 147613641 UIFQUNMJJUSQKR-UHFFFAOYSA-N 265.331 0.037 0 50 CCAA C[C@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCO3)C(=O)O1 253430051 PKSXOFANHXJVQZ-IONNQARKSA-N 299.304 0.398 0 50 CCAA C[C@H]1C[C@@H](CO)CN(C(=O)NC[C@H]2CCCO2)C1 333704072 HLXUTGDVBIVPAD-QJPTWQEYSA-N 256.346 0.825 0 50 CCAA CCCc1cnc(C)nc1N1CCN(C)[C@@H](C(=O)O)C1 216346109 MWQULMBLLZOPCI-GFCCVEGCSA-N 278.356 0.943 0 50 CCAA CSCc1noc(CN2CCC[C@](O)(CO)CC2)n1 72169684 KMZLUKYZSNMEHZ-GFCCVEGCSA-N 287.385 0.642 0 50 CCAA CNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 334196522 MVSNACUKJNRPFG-UHFFFAOYSA-N 271.276 0.370 0 50 CCAA CC1(C(=O)NC2[C@H]3CCC[C@H]2CC(N)C3)CNC1 335053441 VORGFYRLHGMJIB-JYBOHDQNSA-N 251.374 0.618 0 50 CCAA O=C(CN1CCC[C@@H](c2ccncc2)C1)N1CCNC1=O 451005594 YMNFOMOODBEFRN-CYBMUJFWSA-N 288.351 0.813 0 50 CCAA N=c1nc([C@H]2CCCN(C(=O)C3(O)CCCC3)C2)cc[nH]1 370467713 HXEFKPLVZBUHEO-NSHDSACASA-N 290.367 0.900 0 50 CCAA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1 219915519 KVIKVCPHXQYJPD-ZIAGYGMSSA-N 293.367 0.547 0 50 CCAA Cc1cnccc1CC(=O)NC[C@@H]1CN(C2CC2)CCO1 373566250 CDZLNKOYLIHMBT-OAHLLOKOSA-N 289.379 0.912 0 50 CCAA Cn1c(CN2CCCC2)nnc1C1CCN(CCN)CC1 77357745 FKKGGMAEIWBNOS-UHFFFAOYSA-N 292.431 0.549 0 50 CCAA C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@H]1C[C@@H](O)CN1 262557525 VJNKPJOTUYLLCD-ZRJCITRHSA-N 278.352 0.338 0 50 CCAA O=C(CC1(O)CCCC1)N1CCOC[C@@H]1c1nc[nH]n1 375825539 RDLRHCCRZYIBIZ-SNVBAGLBSA-N 280.328 0.400 0 50 CCAA Cc1[nH]nc(CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c1Cl 216161711 VUBUBOTYHQLNAZ-OCAPTIKFSA-N 282.731 0.418 0 50 CCAA COCC[C@@H]1CN(C(=O)c2nc(C)c[nH]2)CCO1 218786805 WOTZPHUMNGPOKH-SNVBAGLBSA-N 253.302 0.596 0 50 CCAA O=C(O)CNC(=O)Cn1ccc2ccc(F)cc21 32089013 WNUAWQHNVRNXIO-UHFFFAOYSA-N 250.229 0.981 0 50 CCAA Cc1ncsc1CCC(=O)N1CCOC[C@@H](CO)C1 77375712 SYHSIEIYZHAPDH-LLVKDONJSA-N 284.381 0.851 0 50 CCAA Cc1[nH]nc(C(=O)N(C)C[C@H]2COCCO2)c1Cl 426651955 DBJHREIXPGKQMD-QMMMGPOBSA-N 273.720 0.859 0 50 CCAA COCCN(CC(=O)O)C(=O)[C@H](C)CN1CCCC1 426396040 XUDWZTLVSUQDOV-LLVKDONJSA-N 272.345 0.278 0 50 CCAA Cc1ccc(C(=O)N2CCN(CC(=O)O)C(=O)C2)cc1O 426415371 MGPRRXQNAIPTLR-UHFFFAOYSA-N 292.291 0.070 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)NCCN1CCCOC1=O 426415644 QWBLCSUWGKIINV-JTQLQIEISA-N 280.328 0.711 0 50 CCAA Cn1c(CN2CCO[C@@H](C(N)=O)C2)cc2ccccc21 97532657 BLUVRKWEBYVPTP-CQSZACIVSA-N 273.336 0.864 0 50 CCAA Cn1cnnc1CCC(=O)NCC1(O)CCCCC1 97732602 SQYGOTDHTVXLCH-UHFFFAOYSA-N 266.345 0.559 0 50 CCAA O=C(C[C@@H]1COCCN1)N1CCNc2ccccc21 294978173 JNAIDWXTWYJMQA-LLVKDONJSA-N 261.325 0.824 0 50 CCAA COCc1cc(Cn2cc(-c3ncc[nH]3)nn2)n[nH]1 91440920 FVNIIULNDODLAY-UHFFFAOYSA-N 259.273 0.586 0 50 CCAA CC1(C)CN(c2nc(C(N)=O)cs2)C[C@]1(C)O 91476592 BGPFPUGTGLVWRK-NSHDSACASA-N 255.343 0.839 0 50 CCAA CCS(=O)(=O)CCNC(=O)c1cccc(CN(C)C)c1 97527193 RVPFYYFZDRBKCW-UHFFFAOYSA-N 298.408 0.913 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@H]4[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@@H]41 247848426 FRSICVXYVAHOIH-WCBKLZCNSA-N 279.299 0.648 0 50 CCAA Cn1cc([C@@H](NC(=O)c2ccnnc2)[C@H]2C[C@H](O)C2)cn1 244774181 PPFSKFXKVMBSAR-DRZSPHRISA-N 287.323 0.452 0 50 CCAA O[C@H]1C[C@H]([C@H](NC2CCOCC2)C2CCNCC2)C1 244574789 CRLLCFQQLQXTOB-BPLDGKMQSA-N 268.401 0.894 0 50 CCAA O=C(CCn1cnnn1)Nc1ccc2c(c1)NC(=O)CO2 524732801 OQDKQEFLCFSXJV-UHFFFAOYSA-N 288.267 0.033 0 50 CCAA C[C@H](C[S@@](C)=O)NC(=O)N1CCC[C@H](N(C)C)C1 182562186 GLCXYQICODZPRN-LIBAHTEVSA-N 275.418 0.489 0 50 CCAA O=C(NCc1nc[nH]n1)[C@@H]1COc2cc(F)ccc2C1 624585334 UIHGPZRBSVTJKX-VIFPVBQESA-N 276.271 0.811 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2C 299796587 OBERTILMALAYMU-NEPJUHHUSA-N 290.367 0.648 0 50 CCAA C[C@@H](C(=O)NCc1ccc2nc(O)[nH]c2c1)n1cnnn1 828105496 QGUWSOJJHZMLRE-ZETCQYMHSA-N 287.283 0.132 0 50 CCAA C[C@H](CN1CCCCC1)c1n[nH]c(CC(N)=O)n1 822182798 YJACJAXCNGQZQP-SECBINFHSA-N 251.334 0.422 0 50 CCAA O=C1CCc2c1cccc2C(=O)NCC[C@@H](O)CO 584899324 HNIAITIGPWXHOY-SECBINFHSA-N 263.293 0.289 0 50 CCAA COc1nc(NC[C@H]2CN(C)CCO2)ncc1F 670473401 DPWJNBDGMJTSTH-QMMMGPOBSA-N 256.281 0.367 0 50 CCAA Cn1ncnc1CCNC(=O)c1scc2c1OCCO2 670463523 KNJWHOUSHFOGKQ-UHFFFAOYSA-N 294.336 0.620 0 50 CCAA Cn1cnc(N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)cc1=O 1875399180 QWOFPOAMLNMISD-IJLUTSLNSA-N 289.339 0.228 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N(C)c2cnn(C)c2)C1=O 886075125 BZLJRADOBNQUDT-GFCCVEGCSA-N 294.355 0.410 0 50 CCAA Cn1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1=O 887953892 PIPGMZSLXPFEIK-NHYWBVRUSA-N 289.335 0.113 0 50 CCAA CCC[C@H](O)CNC(=O)c1cnn2c1NC[C@H](C)C2 1521255341 MYQKEMOBCUDCJR-UWVGGRQHSA-N 266.345 0.836 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ccn(C(C)C)n1 1565514905 BFXOSBKICLHHAG-RYUDHWBXSA-N 267.329 0.998 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1cnn(CC(N)=O)c1 277110669 XWVREWYOQKKWHF-MNOVXSKESA-N 280.328 0.512 0 50 CCAA Cc1noc([C@H]2COCCN2Cc2ccon2)n1 170083519 YYIKSOQCEFISSV-SNVBAGLBSA-N 250.258 0.940 0 50 CCAA CCN(C)C(=O)[C@@H](C)NC(=O)N(CCOC)CC(F)F 187891279 DVIKRXQZODAUII-SECBINFHSA-N 295.330 0.776 0 50 CCAA CC1=CCCN(C(=O)C[C@H]2CS(=O)(=O)CCN2C)C1 644455427 QVUPETALFFXDMJ-LBPRGKRZSA-N 286.397 0.284 0 50 CCAA CN(CC(=O)Nc1cc(C(=O)O)cs1)S(C)(=O)=O 581465702 CWYXOHPVXWTAQF-UHFFFAOYSA-N 292.338 0.276 0 50 CCAA O=C(N[C@H]1CNC[C@@H]1O)c1cccc(OC(F)F)c1 699901597 XZDIFDDVQAMPKZ-UWVGGRQHSA-N 272.251 0.351 0 50 CCAA CC[C@]12COC(=O)N1CCN(C(=O)c1[nH]nnc1C)C2 1857678143 CCUPGMFECWMSOC-LBPRGKRZSA-N 279.300 0.170 0 50 CCAA CN(Cc1cscn1)C(=O)[C@H]1C[C@@H](N)[C@H](O)C1 1857716722 PYTGWLYYPFXPDX-FXBDTBDDSA-N 255.343 0.200 0 50 CCAA Cc1ncc(C(=O)N2CCOC[C@H]2C(=O)O)s1 224778848 YETGXLDCUJASCF-ZETCQYMHSA-N 256.283 0.377 0 50 CCAA C[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@@H](C)N1 154256225 BGRDQLKAVIQTRQ-NXEZZACHSA-N 263.345 0.365 0 50 CCAA C[C@@H]1CN2C[C@@H](NC(=O)Cc3ccc(O)cc3)C[C@H]2CO1 1857734011 JSUPGLDQDDMDBG-XBFCOCLRSA-N 290.363 0.913 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)c2cccnc2O)CC[C@@H]1O 1857737044 USUDBZNTFZEREA-WFASDCNBSA-N 294.351 0.773 0 50 CCAA CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)c(OC)co1 330388709 NJXYCXFMBUASNU-IUCAKERBSA-N 294.307 0.293 0 50 CCAA CCN1CCO[C@H](C(=O)NC[C@@H](O)Cc2ccccc2)C1 229952562 KGUQCTLBHSQZTB-GJZGRUSLSA-N 292.379 0.427 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1noc(C2CC2)n1 643827533 HWXWHLWPLKBKGS-CQSZACIVSA-N 294.355 0.674 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1ccncc1Cl 643941597 KIUGJGVPXPEHSV-ZDUSSCGKSA-N 297.742 0.842 0 50 CCAA O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CCCO1 257721010 VMVFUKHRNGXFER-QWRGUYRKSA-N 264.281 0.373 0 50 CCAA O=C(c1cnc2ccccn12)N1CCC[C@H]1c1nn[nH]n1 900395648 ZQTASBXGMRIJIO-VIFPVBQESA-N 283.295 0.825 0 50 CCAA COCCO[C@H](C)c1nnc2n1CC[C@@H](C(=O)OC)C2 1118983946 UYUWKTIOPNKSPY-NXEZZACHSA-N 283.328 0.738 0 50 CCAA O=C(C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 5392594 QVZXEXXPPRJTHX-UHFFFAOYSA-N 294.376 0.930 0 50 CCAA C[C@@H]1C[C@@H](CN)CN1Cc1cc(=O)n2ccsc2n1 131478005 SMZAKMZVSKSCKE-ZJUUUORDSA-N 278.381 0.925 0 50 CCAA Cc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2)ccc1F 150810883 QNNQAZAGRIVSGF-ZYHUDNBSSA-N 252.289 0.473 0 50 CCAA CC(C)(C)C(=O)N1CCN(C(=O)C2(C(=O)O)CC2)CC1 154786242 BVMVQDYQBMUPPT-UHFFFAOYSA-N 282.340 0.568 0 50 CCAA CC(C)C[C@@H](CN)NS(=O)(=O)C[C@H]1CCCCO1 178959757 LVJXNNUDKIGGIK-NWDGAFQWSA-N 278.418 0.848 0 50 CCAA c1ccc(-n2nnnc2NC[C@@H]2CNCCOC2)cc1 72152500 GQNNITFNMIWILW-NSHDSACASA-N 274.328 0.310 0 50 CCAA CC(C)Cc1nc(CN(C)S(=O)(=O)N(C)C)no1 670441939 AVQGDPHHLXPNSD-UHFFFAOYSA-N 276.362 0.506 0 50 CCAA O=C1NCCN1CCN1CCC2(CCOCC2)CC1 377507034 XFTIENJZCWLCQI-UHFFFAOYSA-N 267.373 0.904 0 50 CCAA Cc1nsc(N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 2100536918 FKCAPHIZKRIVMF-MWLCHTKSSA-N 279.369 0.918 0 50 CCAA O=C(CCc1cccc(F)c1)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 2100543828 ZBXCVQSETYQXBH-QHSBEEBCSA-N 295.310 0.402 0 50 CCAA CN1CC[C@H](O)[C@H](C(=O)NCCCNc2cccnc2)C1 2100547894 QYEUYTOZKXTLEL-KGLIPLIRSA-N 292.383 0.312 0 50 CCAA Cn1c(=O)c([C@H]2OC(=O)c3ccccc32)c2n(c1=O)CCN2 398968 JVWAIXUOUUPOFI-NSHDSACASA-N 299.286 0.232 0 50 CCAA O=C(NC1=NCCS1)c1ccc(-n2cnnn2)cc1 418391 GUMZPSIDQILNMY-UHFFFAOYSA-N 274.309 0.495 0 50 CCAA Cn1c(=O)c2[nH]c(NC3CCCCC3)nc2n(C)c1=O 543540 FWRCBPOVHRPPMV-UHFFFAOYSA-N 277.328 0.705 0 50 CCAA CS(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 1013310 BBCWUIJFWBSIJP-UHFFFAOYSA-N 269.731 0.391 0 50 CCAA CC(=O)N[C@@H](C)CNS(=O)(=O)c1ccc(C)cc1 2846782 SNGSSCACPOZJPZ-JTQLQIEISA-N 270.354 0.798 0 50 CCAA O=c1[nH]c(NCC[C@H]2CCCCO2)nc2c1CCNCC2 63868621 LUIIWAUAVURUKW-LLVKDONJSA-N 292.383 0.829 0 50 CCAA Cc1n[nH]c(C)c1CN1C[C@H](N)C[C@H]1C(=O)NC(C)C 67802847 IUPSRAWRGYNXJE-YPMHNXCESA-N 279.388 0.453 0 50 CCAA NC[C@@H]1CN(Cc2ccccc2OCC(=O)O)CCO1 67774730 CJZJLBABWZXDSU-GFCCVEGCSA-N 280.324 0.310 0 50 CCAA CC(C)Oc1cccc(N(CC(N)=O)S(C)(=O)=O)c1 65363358 YJOWTBPOFBEFKT-UHFFFAOYSA-N 286.353 0.725 0 50 CCAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1ccc(=O)n(C)n1 20997852 AVKZIMUWXQWJBT-LBPRGKRZSA-N 299.330 0.856 0 50 CCAA Cc1ccc(C2(O)CCN([C@H](C)C(N)=O)CC2)nc1 67675491 QPVQKUASZLSVHF-LLVKDONJSA-N 263.341 0.547 0 50 CCAA CC(=O)[C@H](NC(=O)CN1C[C@H](C)OC[C@@H]1C)C(C)C 252470021 MYJXYRXCZFWPPR-COPLHBTASA-N 270.373 0.825 0 50 CCAA O=C(O)[C@@H]1CC(=O)N(Cc2nc(-c3ccccc3)n[nH]2)C1 65470240 ASZFPRDEBJRNJC-SNVBAGLBSA-N 286.291 0.905 0 50 CCAA CCCn1cc(C(=O)N2C[C@@H](F)C[C@H]2CO)cn1 332637197 AEYSVPXQJUDBMA-QWRGUYRKSA-N 255.293 0.838 0 50 CCAA Cc1nc(CC(=O)NC[C@H](CC(=O)O)CC(C)C)n[nH]1 863981988 YBDVCRTWQBOHLU-JTQLQIEISA-N 282.344 0.909 0 50 CCAA C[C@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)NC(N)=O 429242686 WRZUEQUKODESCQ-CBAPKCEASA-N 263.297 0.032 0 50 CCAA CC(C)n1c([C@H]2OCC[C@H]2C)nn(CCO)c1=O 328641563 QPGVKKWNLXRZEE-ZJUUUORDSA-N 255.318 0.716 0 50 CCAA CC1(C)C[S@@](=O)CCN1CCN1CCN=C1O 329661553 OYWNLJTVZCQWOL-KRWDZBQOSA-N 259.375 0.059 0 50 CCAA CCCNC(=O)CCCC(=O)N(CC)CC(=O)OC 253426348 SULJMFVYYAJNMB-UHFFFAOYSA-N 272.345 0.704 0 50 CCAA Cc1ncn(CCNC(=O)c2[nH]nc(N)c2Cl)c1C 215907684 SMSCLKYUPOHOSV-UHFFFAOYSA-N 282.735 0.889 0 50 CCAA C[C@@H]1CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@@H](C)N1 153497290 MLHWCSZSJHICOR-GHMZBOCLSA-N 291.351 0.373 0 50 CCAA COC[C@@H]1CN(CC(=O)NC(C)C)CC(C)(C)O1 330532871 NYUBPQVBYRJRRT-NSHDSACASA-N 258.362 0.637 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)NCCN1CCCC1=O 219126166 FELNPIIXBHRQBJ-NSHDSACASA-N 264.329 0.258 0 50 CCAA Cn1nnnc1CN1C(=O)N[C@@](C)(c2ccsc2)C1=O 331655028 XGCZKHAHSIDKAE-NSHDSACASA-N 292.324 0.239 0 50 CCAA CNC(=O)C1CCN(C(=O)c2cnn3ccccc23)CC1 332036465 WZCSMTVOYVXKHJ-UHFFFAOYSA-N 286.335 0.933 0 50 CCAA CS(=O)(=O)NC[C@H](c1cccnc1)N1CCOCC1 36096914 UYZBHSJMBJQEAB-GFCCVEGCSA-N 285.369 0.004 0 50 CCAA CCn1cc(CCN2C[C@H](F)C[C@H]2C(N)=O)cn1 286352688 XWPSKNGXSJQGGH-MNOVXSKESA-N 254.309 0.343 0 50 CCAA NC(=O)C[C@H](NC(=O)CCc1ccoc1)C1CCOCC1 175460378 CZHXPNSWRPJYHY-ZDUSSCGKSA-N 294.351 0.999 0 50 CCAA CCn1nncc1C(=O)N1CCC[C@@H](N(C)C)C1 293033445 GLLXZFBIJRQNOD-SNVBAGLBSA-N 251.334 0.464 0 50 CCAA CN(C)[C@@H]1[C@@H](NC(=O)c2ccc(N)nc2)[C@H]2CCO[C@H]21 223339029 MOQCBWQUUDNGJK-GWNIPJSYSA-N 276.340 0.111 0 50 CCAA CNC(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 178460927 KXVLPWSWKSHZJX-VXGBXAGGSA-N 255.362 0.683 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H]2CCO[C@@H]21 223555383 RZZGSZYZBQCRFS-NAKRPEOUSA-N 265.313 0.498 0 50 CCAA CCOCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 388012410 IBVAKZSVDDJYRP-VIFPVBQESA-N 251.348 0.055 0 50 CCAA CC(C)(C)CCN1CCN(C(=O)CO)C[C@H](C(=O)O)C1 97610085 KFTQIEAQJRUIGX-LLVKDONJSA-N 286.372 0.260 0 50 CCAA Cn1nnnc1SCCNC(=O)Nc1ccc(F)nc1 96132201 IUOMTACOANAPKX-UHFFFAOYSA-N 297.319 0.658 0 50 CCAA O=S1(=O)COCCN1CCOCc1ccccc1 91781813 FKZNOTMUCSPNPS-UHFFFAOYSA-N 271.338 0.823 0 50 CCAA Cc1cccc([C@]23NC(=O)[C@@H]4[C@H]5C[C@@H]([C@H](O2)[C@@H]5O)[C@H]43)c1 244899970 ZTQGSZSIMVSPOG-YYPLAZGMSA-N 271.316 0.919 0 50 CCAA Cc1nc(C2(NC(=O)[C@H]3C[C@@H]3C(=O)O)CCC2)no1 299752372 TXDFYXUIEVHEAE-YUMQZZPRSA-N 265.269 0.594 0 50 CCAA CC(C)n1cnnc1CN1CC[C@](C)(O)[C@@H](O)C1 96164466 SQMRIPDBZZDLOO-JQWIXIFHSA-N 254.334 0.177 0 50 CCAA COCCN(C)CC(=O)NC[C@]1(C)CCN(C)C1 824405755 UTKSACOVZGCEMP-ZDUSSCGKSA-N 257.378 0.023 0 50 CCAA CN(C)C(=O)NCC(=O)NCc1ccc2nsnc2c1 828027296 MZAYRAJUUFJVSS-UHFFFAOYSA-N 293.352 0.579 0 50 CCAA COC(C)(C)C(=O)N1CCN([C@@H]2CN3CCC2CC3)CC1 584892534 ODBMELWBAMLRII-CQSZACIVSA-N 295.427 0.650 0 50 CCAA CSCC(=O)N1CCN(CC(C)C)[C@H](CCO)C1 584902183 ATCDFXZGUCEZFX-GFCCVEGCSA-N 274.430 0.901 0 50 CCAA CCCc1noc(CN(C)S(=O)(=O)c2cn(C)cn2)n1 670457460 XRCIVMNAWCUONG-UHFFFAOYSA-N 299.356 0.576 0 50 CCAA C[C@@H](CN)C(=O)N1CCC(C2CCNCC2)CC1 1161207668 CGAVWFZYIZZRKV-NSHDSACASA-N 253.390 0.819 0 50 CCAA Cn1cnc(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)c1 1553538463 LIKOPBLHSQBQMG-LLVKDONJSA-N 263.345 0.443 0 50 CCAA Cn1ncc2c1CCCN(C(=O)NCCC1(N)CC1)C2 952893138 HMASAMUMAPUDFW-UHFFFAOYSA-N 277.372 0.759 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N=c1[nH]ccnc1C1CC1 1875280179 YOCNVEHJGRZDKR-UHFFFAOYSA-N 293.352 0.619 0 50 CCAA O=c1ccnc2sc(N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)nn12 1875264660 FCCMZAJIESKTIV-WFADCGHZSA-N 290.348 0.357 0 50 CCAA O=C(Cc1csc(C2CCNCC2)n1)N=c1cc[nH][nH]1 1875276721 UMGYLDCUHGOAPE-UHFFFAOYSA-N 291.380 0.936 0 50 CCAA COC(=O)/C=C/CNC(=O)Cn1cc(C2CC2)nn1 1875333158 FMAQCAYYNYSHRM-NSCUHMNNSA-N 264.285 0.001 0 50 CCAA CN(C)C/C=C/C(=O)NC[C@@H](c1cnn(C)c1)N(C)C 1875375864 QFEVDAMGOCOBRH-YBJDMEARSA-N 279.388 0.257 0 50 CCAA COCC1(c2nc(-c3cc(C)[nH]n3)no2)COC1 1875328145 APCZERMQRIBDJV-UHFFFAOYSA-N 250.258 0.683 0 50 CCAA O=C(Nc1ccccc1CN1CCOCC1)[C@H]1C=CCN1 952989696 SXEOWIINDMDKMC-OAHLLOKOSA-N 287.363 0.985 0 50 CCAA Cc1nnc2ccc(N[C@H]3C[C@@H](O)[C@@H]3n3cccn3)nn12 886079721 XPKSTMAWZAZOPK-OPQQBVKSSA-N 285.311 0.416 0 50 CCAA Cc1ncc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)[nH]1 888095177 LYIMUCUYEMFILF-NDMJEZRESA-N 292.339 0.274 0 50 CCAA CN(C)c1ccnc(C(=O)NCC[C@@H]2CSCCN2)c1 888095890 DQNCMYLBJALXIN-LLVKDONJSA-N 294.424 0.973 0 50 CCAA CC(C)(C)c1cc2c(N3C[C@@H](O)C[C@@H](O)C3)nccn2n1 892769720 ZFXCCYYTBJVMCV-PHIMTYICSA-N 290.367 0.959 0 50 CCAA CC1=NNC(=O)[C@@H]1CCNC(=O)c1ccc(C(=O)O)nc1 1573690366 KKXBYFMNASBCBJ-SECBINFHSA-N 290.279 0.022 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)Nc1ncn(CC(=O)NC)n1 277033053 OBSOUHMEOIBMLH-NXEZZACHSA-N 295.343 0.168 0 50 CCAA CN(C)C(=O)NC1CCN(C(=O)c2cccnc2)CC1 169889817 ZPMTXTBOKAFGBL-UHFFFAOYSA-N 276.340 0.957 0 50 CCAA CCC[C@H](N)C(=O)Nc1ccnc(C(=O)N(C)C)c1 170678064 LHMOVCYNPNYNJR-JTQLQIEISA-N 264.329 0.849 0 50 CCAA CC[C@H](NC(=O)c1ccnc(C)c1)C(=O)N1CCOCC1 279610958 ZASFYOCOTYBIEA-ZDUSSCGKSA-N 291.351 0.757 0 50 CCAA CC(C)(O)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 408051796 LRXKWSVXFAXNBN-TUAOUCFPSA-N 271.357 0.536 0 50 CCAA O=c1ccc(C(F)(F)F)nn1Cc1nnnn1C1CC1 225508974 RGALSPOPASWQFI-UHFFFAOYSA-N 286.217 0.632 0 50 CCAA COc1ccc(CN2CCC[C@](O)(CC(N)=O)C2)cn1 643746556 PIWNQYSTBSGNTD-AWEZNQCLSA-N 279.340 0.293 0 50 CCAA Cc1c[nH]cc1C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 585087602 QPTFTUZQBXKXHZ-WOPDTQHZSA-N 260.297 0.624 0 50 CCAA CC1(C)C[C@H](O)CCN(C(=O)C2CN([C@H]3CCOC3)C2)C1 585131776 FZPZPDKEEBNESV-UONOGXRCSA-N 296.411 0.717 0 50 CCAA O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@@H]1C[C@H]2CC[C@H]1O2 585123938 QYQAMBIRSUBVNH-AIPRNEOBSA-N 277.324 0.923 0 50 CCAA O=C(O)c1nccnc1NCCCN1CCCC[C@H]1CO 1506406935 KMJVZIAYTDQLSB-NSHDSACASA-N 294.355 0.824 0 50 CCAA Oc1n[nH]c(CNc2ncc(F)c(N3CCCC3)n2)n1 1529167722 MYKWIVCSCLFEOV-UHFFFAOYSA-N 279.279 0.652 0 50 CCAA CCCn1ccnc1CNC(=O)c1cnc(N)nc1C 218846401 SLZSLGIAGNRDEF-UHFFFAOYSA-N 274.328 0.904 0 50 CCAA Cn1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O 12409156 ITFZPAOSYHXFSW-UHFFFAOYSA-N 269.186 0.995 0 50 CCAA Cc1ccc(C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)o1 331431634 WERZWFZSFHLZGA-AWEZNQCLSA-N 290.323 0.847 0 50 CCAA Cn1cccc1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 130229257 HGFAWTFOGHWUCU-UHFFFAOYSA-N 296.352 0.519 0 50 CCAA C=CC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 820437547 UBPBWTUZFLTEOC-VIFPVBQESA-N 267.306 0.524 0 50 CCAA COc1nc(NC(=O)c2ccc3nccn3c2)n[nH]1 183001277 BIDARUYMGOCMDZ-UHFFFAOYSA-N 258.241 0.713 0 50 CCAA CC[C@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1O 400291182 NYCUKXLXIGBACU-VHSXEESVSA-N 256.346 0.378 0 50 CCAA C[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)C[C@H]1CCCCO1 373874002 YDFOELQOHYOJTD-MXWKQRLJSA-N 291.369 0.680 0 50 CCAA O=C(CCc1cn[nH]c1)NCc1nnc2ccccn12 952870005 SYAACQDGVZMBKV-UHFFFAOYSA-N 270.296 0.701 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)N2CCc3ncccc3C2)C1 2100556680 OTLWFWAJWSVRAR-TZMCWYRMSA-N 275.352 0.279 0 50 CCAA CN(C(=O)c1cc2c(o1)CCCNC2=O)c1cn[nH]c1 2325771271 UENFJASQYADJRH-UHFFFAOYSA-N 274.280 0.955 0 50 CCAA CC(C)[C@@H](C(=O)N1CCC(C(=O)O)CC1)n1cnnc1 2325795997 KVTWWKVYIWCUBU-NSHDSACASA-N 280.328 0.798 0 50 CCAA COCCn1ccnc1NC(=O)c1cccc(C(N)=O)c1 2325855551 FWLHSIKZOPVQCR-UHFFFAOYSA-N 288.307 0.881 0 50 CCAA CCCCNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 6648649 SXEVJQBALKSKEQ-GFCCVEGCSA-N 283.372 0.819 0 50 CCAA CCc1n[nH]c(SCC(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)n1 101795003 ZDQJDFSYMRJBJU-MYJAWHEDSA-N 296.396 0.974 0 50 CCAA OCCn1c(N2CCC(O)(CO)CC2)nc2ccccc21 67773503 SBOUJEWFOGPRPA-UHFFFAOYSA-N 291.351 0.352 0 50 CCAA CC[C@@H](CO)NC(=O)c1cc(CN2CCOCC2)on1 67935108 YIOKFWBDLGPBJM-JTQLQIEISA-N 283.328 0.008 0 50 CCAA O=C1NCCCc2[nH]c(CCN3CCC[C@@H](O)C3)nc21 65490952 ITDFVAZKXKRQIS-SNVBAGLBSA-N 278.356 0.085 0 50 CCAA O[C@@]1(Cn2ccnn2)CCCN(CCN2CCCCC2)C1 331705432 ZJRCPAOEQKDMEC-HNNXBMFYSA-N 293.415 0.591 0 50 CCAA COc1cccc(-c2cn([C@@H]3CN[C@H](C(=O)O)C3)nn2)c1 67833611 ONJHLPOXBRYOQH-JQWIXIFHSA-N 288.307 0.941 0 50 CCAA Cc1cc(CC(=O)N2CCC[C@](O)(CN(C)C)C2)on1 72143665 CLZVQWIIDUFTSH-AWEZNQCLSA-N 281.356 0.441 0 50 CCAA CN(C(=O)c1cnc([C@H]2CCCO2)s1)[C@@H]1COC[C@H]1O 329369916 JQDACXYXKXNTJD-OPRDCNLKSA-N 298.364 0.826 0 50 CCAA CS(=O)(=O)CC1(CN2CC(=O)N(CC3CC3)C2)CC1 333104742 DIOHRRHLQJTDTN-UHFFFAOYSA-N 286.397 0.323 0 50 CCAA CC[C@H](NC(=O)c1ccc(=O)n(C)n1)[C@@H](O)C(F)(F)F 330544448 BJMZVSLPIDLDMM-IMTBSYHQSA-N 293.245 0.212 0 50 CCAA C[C@@H](O)C[C@@H]1COCCN1C(=O)[C@@H](O)Cc1ccccc1 331059396 MMSDKBDBEMJKED-YUELXQCFSA-N 293.363 0.588 0 50 CCAA COC(=O)[C@H]1CCn2c(Cc3ccccn3)nnc2C1 260309793 UHBJZJWLJXSMHR-JTQLQIEISA-N 272.308 0.999 0 50 CCAA CC(=O)c1c(C)nn(CC(=O)NCCc2cn[nH]c2)c1C 215185620 AIADRLDVMGMHHP-UHFFFAOYSA-N 289.339 0.785 0 50 CCAA COC[C@@H]1C[C@H](OC)CN1C(=O)c1cc(C)on1 284692097 WSYNOJYPOUYWCW-UWVGGRQHSA-N 254.286 0.859 0 50 CCAA c1nc(N2CCN(C[C@H]3CCOC3)CC2)c2[nH]cnc2n1 216504388 ZLXGFFSVKKZRNO-LLVKDONJSA-N 288.355 0.511 0 50 CCAA COCc1cc(CNC(=O)[C@@H](NC(C)=O)C(C)C)n[nH]1 219285571 HENALPNNYPJSKA-LBPRGKRZSA-N 282.344 0.333 0 50 CCAA CC[C@H](Cn1cnc2cn(C)nc2c1=O)N(C)CC 72162544 RYUKHGBJNDWZHN-SNVBAGLBSA-N 263.345 0.860 0 50 CCAA Cn1ncc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)c1N 131246720 YKMOUUDMAWKCPZ-VHSXEESVSA-N 250.302 0.396 0 50 CCAA C[C@H](O)CN1CCN(C(=O)Cc2ccncc2)[C@H](C)C1 225425575 TYLWOBCBHBVPJA-OLZOCXBDSA-N 277.368 0.538 0 50 CCAA CCc1nc([C@H](C)NC(=O)Cc2n[nH]c(C)n2)n[nH]1 613124821 USVPZNQDHLIHNJ-LURJTMIESA-N 263.305 0.214 0 50 CCAA COCc1noc(CCNC(=O)c2cccnc2OC)n1 220339527 YYQJBFRZZAQCCD-UHFFFAOYSA-N 292.295 0.592 0 50 CCAA CCN1CCC[C@](C)(C(=O)NCc2cc(=O)[nH]c(C)n2)C1 95381170 KMNIRWAMZUKJDT-HNNXBMFYSA-N 292.383 0.817 0 50 CCAA CCCc1nnc(N2CCN(CCOC)CC2)o1 95384834 QGNVCZVYDXMRHY-UHFFFAOYSA-N 254.334 0.791 0 50 CCAA CN1C(=O)C[C@H](N2CCN(c3ccccc3)CC2)C1=O 96793223 IEONJBTWKMZZJK-ZDUSSCGKSA-N 273.336 0.566 0 50 CCAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc2c(c1)OCO2 237506322 OBYLGFNFODRVBM-ZJUUUORDSA-N 298.364 0.916 0 50 CCAA Cc1cc(C(=O)NCCN2CCCC2)c(=O)[nH]c1C 91908406 VHSYZPJEYHFNRA-UHFFFAOYSA-N 263.341 0.817 0 50 CCAA O=C(O)[C@H]1CCCN1C(=O)COC[C@H]1CCCO1 299746749 ZOLIFQIKRHJBHN-NXEZZACHSA-N 257.286 0.258 0 50 CCAA CC(C)CN1CC[C@@H](C(=O)N2CCC[C@H]2CN)C1 299739117 KSIDLGKATNSHHP-OLZOCXBDSA-N 253.390 0.914 0 50 CCAA Cc1noc(C)c1C[C@@H](C)C(=O)N1CCOC[C@H]1C(=O)O 299751019 PEHPEFZEQZXNIF-PELKAZGASA-N 296.323 0.782 0 50 CCAA Cc1cc(CC(=O)NCCCn2nc(C)nc2C)on1 252482933 DQKJWNQKHOZGRE-UHFFFAOYSA-N 277.328 0.940 0 50 CCAA Cn1nccc1-c1nccc(N2CCC[C@H](O)C2)n1 534664040 XGPLJLPXSWIEPN-JTQLQIEISA-N 259.313 0.838 0 50 CCAA CC(=O)N[C@@H]1C[C@@H](C(=O)N2C[C@@H](C)[C@@H](C)C2)CC[C@H]1O 1940196328 CJJGAEQZSDBRQN-SZZQBSIJSA-N 282.384 0.767 0 50 CCAA C[C@]1(C2CCNCC2)NC(=O)N(Cc2ccncc2)C1=O 299775956 MOKHOACQZKSXAW-OAHLLOKOSA-N 288.351 0.892 0 50 CCAA CCc1cc(CN2CCO[C@H](C(=O)N(C)C)C2)on1 823565568 MDSQZYINPWSDAX-LBPRGKRZSA-N 267.329 0.526 0 50 CCAA CC[C@@]1(O)CCCN(C(=O)CNC(=O)N(C)C)C1 584885136 YLVWOFLHGJGVQQ-GFCCVEGCSA-N 257.334 0.021 0 50 CCAA Cn1ccnc1C(=O)NCCc1noc(C2CC2)n1 584895864 LKVYGYYZTPGIJE-UHFFFAOYSA-N 261.285 0.653 0 50 CCAA CCCc1cc(CNC(=O)CCn2cnnn2)on1 670461060 FNQFSJPUQVINFX-UHFFFAOYSA-N 264.289 0.320 0 50 CCAA COCCn1ccnc1CN1CCC[C@H](O)CC1 670435509 PPECDQYRIOVCOL-LBPRGKRZSA-N 253.346 0.876 0 50 CCAA CCNc1ncc(CN2CCOC[C@H](CN(C)C)C2)cn1 670449274 ZISGLHOOIKAKIY-CQSZACIVSA-N 293.415 0.918 0 50 CCAA C[C@@H](O)c1cn(CCS(=O)(=O)c2ccccn2)nn1 1875282849 VJXQMNCYDADULR-SECBINFHSA-N 282.325 0.200 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cnn(C(F)F)c1 1875272917 HOVKTZMYWIBHQF-NSCUHMNNSA-N 259.212 0.737 0 50 CCAA CCc1cc(N2C[C@@H](CO)C[C@H]2CO)nc(CC)n1 1875289389 NYFSZLIERNYCCG-JQWIXIFHSA-N 265.357 0.781 0 50 CCAA CN(C)C/C=C/C(=O)NCCn1nnc2ccccc21 1875377280 WWEOADOCVXZCFB-VMPITWQZSA-N 273.340 0.665 0 50 CCAA CN1CCN(Cc2ccn(C3CNC3)n2)CC12CC2 1875323722 QDJUSFWHGVXRAC-UHFFFAOYSA-N 261.373 0.307 0 50 CCAA COC1(OC)CCOC[C@H]1NC(=O)Nc1ccccn1 888096171 WGIQIEXMOAYCIG-SNVBAGLBSA-N 281.312 0.981 0 50 CCAA C[C@H](CCc1ccccc1)N[C@H]1CS(=O)(=O)C[C@H]1O 245245610 FBJYIKUTEXSHKY-KWCYVHTRSA-N 283.393 0.755 0 50 CCAA CCNS(=O)(=O)c1ccc(NCCOCC)nc1 1776003913 CSJHKABKBNFBFN-UHFFFAOYSA-N 273.358 0.828 0 50 CCAA O=C(c1cnn2cccnc12)N1CCc2nnc(O)cc2C1 1342916677 YAGWOZBXMUBTQV-UHFFFAOYSA-N 296.290 0.423 0 50 CCAA O=C([C@@H]1CSCN1)N1CCC[C@H](Cn2cncn2)C1 168579524 YETJDLDSVWJWTQ-QWRGUYRKSA-N 281.385 0.179 0 50 CCAA NC(=O)[C@@H]1CCCN1C1CCN([C@@H]2CCCC[C@@H]2O)CC1 222063441 VZJIJBFVTICQGJ-ILXRZTDVSA-N 295.427 0.704 0 50 CCAA COc1cccc(F)c1C(=O)N1CCC[C@@](O)(C(N)=O)C1 225487088 XYOKPHCVOHKCDL-AWEZNQCLSA-N 296.298 0.287 0 50 CCAA O=C(CO)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 225536136 RIELSRLCEXBBOG-LDYMZIIASA-N 257.236 0.591 0 50 CCAA CCn1cncc1CN1CCC[C@@]1(COC)C(N)=O 643764256 SEZWOHPKGBUZGT-CYBMUJFWSA-N 266.345 0.369 0 50 CCAA CCCCCOCC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C 585126290 VNQUWHXWACOMKN-KBPBESRZSA-N 285.432 0.944 0 50 CCAA Cn1ccc(C(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)n1 585113728 WOUAIVIMBKRVMJ-AWEZNQCLSA-N 295.339 0.651 0 50 CCAA CNCC(=O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704304283 LXCLYZDXJHCVFJ-CJNGLKHVSA-N 299.374 0.816 0 50 CCAA C[C@@H](C(=O)O)N1CCC[C@@H](C(=O)NCC2CC2)C1 237484763 YWHXGYFKKQFFHP-GXSJLCMTSA-N 254.330 0.698 0 50 CCAA C[C@H](CS(=O)(=O)N(C)C)Nc1cnn(CC(F)F)c1 1616040819 FTZHOWHRYXVCDK-MRVPVSSYSA-N 296.343 0.840 0 50 CCAA CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)N1CCCO1 14977488 XQTYQCJVIUIRRR-LBPRGKRZSA-N 281.356 0.307 0 50 CCAA Cc1nc(CC(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)cs1 1857683801 YKBDZTQADFDRBX-WCBMZHEXSA-N 265.338 0.341 0 50 CCAA Cc1nn(-c2nn[nH]n2)c(C)c1-n1ccnc1-c1cc[nH]n1 1857687740 BZAHIMSUVVPDHY-UHFFFAOYSA-N 296.298 0.578 0 50 CCAA O=C(Cc1ccc(F)c(F)c1)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875249629 KXJGFNKEFFPBNQ-OIMNJJJWSA-N 299.273 0.151 0 50 CCAA CCc1occc1C(=O)N1CCO[C@H](Cn2ccnn2)C1 636213410 BPSGJMFEQLNLEH-NSHDSACASA-N 290.323 0.975 0 50 CCAA Cc1cnn(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1 235940082 HDEWEYAVWHPQAM-MNOVXSKESA-N 265.313 0.809 0 50 CCAA CN(C)C(=O)c1cncc(N(C)C[C@@H]2CCC[C@@H]2O)n1 342773455 BKENBFGNCQALPS-JQWIXIFHSA-N 278.356 0.776 0 50 CCAA O=C(O)CC[C@H]1CCCCN1C(=O)CN1CCCC1=O 50921693 CPMBITVBZOHXRJ-LLVKDONJSA-N 282.340 0.855 0 50 CCAA CC(C)(C)c1noc(CN2C[C@H](C(=O)O)CC2=O)n1 65489920 MVVKQGLMSBOUBU-SSDOTTSWSA-N 267.285 0.800 0 50 CCAA COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](CO)C2)cc1 189175973 XEPVEDNJHBIUNU-MNOVXSKESA-N 285.365 0.944 0 50 CCAA COc1cc(C(=O)N2CC[C@@](O)(CN(C)C)C2)ccn1 72129472 YFLRZZOCXKJLHX-CQSZACIVSA-N 279.340 0.229 0 50 CCAA Cc1cnn(C)c1CN1CCC[C@H](N2CCNC2=O)C1 368031933 WRVNSFFTPNAGEC-LBPRGKRZSA-N 277.372 0.718 0 50 CCAA Cn1cnc(S(=O)(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1 903550346 DRRTVGOPBOBYBB-DGCLKSJQSA-N 292.364 0.323 0 50 CCAA NC(=O)NC(=O)CN1CCC(OC2CCC2)CC1 930741693 FNQNJSMXCCTQCA-UHFFFAOYSA-N 255.318 0.215 0 50 CCAA CN1C(=O)[C@@H](C(=O)NC[C@@H]2C[C@H]2CO)Cc2ccccc21 2325791346 QOPCVPUPYPNXKH-RWMBFGLXSA-N 288.347 0.566 0 50 CCAA Cc1no[nH]c1=NC(=O)[C@@]1(C)Cc2ccccc2NC1=O 2325807270 MVTWIFWFPNIRBL-AWEZNQCLSA-N 286.291 0.940 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O)cc1 3839545 UAFPTDLCLKLJKA-KOLCDFICSA-N 285.321 0.204 0 50 CCAA CCCCN1CNc2c(c(=O)n(C)c(=O)n2C)C1 2115291 FYELBQLFHQEMJT-UHFFFAOYSA-N 252.318 0.069 0 50 CCAA biogenic Cc1ccncc1S(=O)(=O)N(C)CCCC(=O)O 417415562 GAIYBTMIGLSHNK-UHFFFAOYSA-N 272.326 0.875 0 50 CCAA C[C@@H](NCC(=O)Nc1nc2ccccc2[nH]1)c1ncn[nH]1 65383884 KPPHADPFWGQOBW-MRVPVSSYSA-N 285.311 0.970 0 50 CCAA Cc1nc(N2CCNC(=O)[C@@H]2C)c2nc(C)oc2n1 63856731 AAROUIAMWQARBK-LURJTMIESA-N 261.285 0.559 0 50 CCAA NC(=O)c1cnc2n1CCN(C(=O)[C@@H]1CC=CCC1)C2 65534983 SZXOMTAZZPRRQV-SNVBAGLBSA-N 274.324 0.681 0 50 CCAA Cn1c(S)nnc1CCNC(=O)C[C@H]1CCCCO1 151968779 KQVSQCBGSAPROU-SECBINFHSA-N 284.385 0.722 0 50 CCAA CCC(=O)N1CCN(C(=O)c2cc(CC)[nH]n2)C1 333275648 LHIJMVRWMNLYLW-UHFFFAOYSA-N 250.302 0.624 0 50 CCAA CN(CCc1ccccn1)C(=O)c1cn2c(n1)CNCC2 72167024 KTZTVNKTXIRWEF-UHFFFAOYSA-N 285.351 0.696 0 50 CCAA Cn1cc([C@@H]2C[C@H]2C(=O)N2CC(=O)N(C3CC3)C2)cn1 365676922 KNUFMNXRTLIVOH-NWDGAFQWSA-N 274.324 0.314 0 50 CCAA Cc1n[nH]c(SCC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)n1 218960325 HGRGEXZSRIQHEU-VGMNWLOBSA-N 268.342 0.499 0 50 CCAA NC(=O)c1cccc(S(=O)(=O)NCc2cccnc2)c1 33359642 AIGIASOIVBSOLR-UHFFFAOYSA-N 291.332 0.659 0 50 CCAA COC[C@H]1CN(C(=O)C2(C)COC2)CC(C)(C)O1 343753182 TXASVYPIHKBVHF-SNVBAGLBSA-N 257.330 0.675 0 50 CCAA CCc1nnc2n1C[C@@H](NCc1n[nH]cc1C)CC2 377771729 DIRCXKGCAFNDND-JTQLQIEISA-N 260.345 0.977 0 50 CCAA C[C@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)[C@@H]1C[C@H]2CC[C@H]1C2 239654503 BOCPXXOZMORPPI-PJSNJIKXSA-N 295.383 0.707 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)CSc1nccc(C)n1 219199252 ZZGPGAFMBONJIQ-GHMZBOCLSA-N 297.380 0.797 0 50 CCAA C=CC(=O)N1CCC([C@]2(O)C[C@@H](C(=O)O)C2)CC1 1857786878 JMXCRDOMBXHGFB-SWZMTVOYSA-N 253.298 0.637 0 50 CCAA CCOc1cc(C)c(C)cc1S(=O)(=O)NCCO 41096100 GPDGVDAQEDWAMQ-UHFFFAOYSA-N 273.354 0.973 0 50 CCAA CCN(CC)CC(=O)N[C@@H](C)Cc1cnccn1 221217602 BTUXVTLDKLINQS-NSHDSACASA-N 250.346 0.866 0 50 CCAA CCN(C)C(=O)CSc1nnc([C@@H]2CCCNC2)n1C 426632900 PYWKNZMBOCAHGY-SNVBAGLBSA-N 297.428 0.853 0 50 CCAA CN(CC(=O)N1CC=C[C@H]1C(=O)O)Cc1ccncc1 426472639 FMTIPDBKCZIODZ-LBPRGKRZSA-N 275.308 0.365 0 50 CCAA COCC[C@]1(O)CCN(C(=O)c2cccnn2)C[C@H]1C 91426749 ZPYHBJYMAJMEKW-BXUZGUMPSA-N 279.340 0.726 0 50 CCAA CN(C)[C@@H]1CCN(CC(=O)NCCCc2ccccn2)C1 244633330 GBARBWKGBHQLOZ-OAHLLOKOSA-N 290.411 0.766 0 50 CCAA CC(C)OC(=O)C[C@@H]1CCCN(S(C)(=O)=O)C1 184041332 ZEFASWPURRTBIC-JTQLQIEISA-N 263.359 1.000 0 50 CCAA Cn1nc2c(cc1=O)CN(C(=O)c1cccnc1O)CC2 263615935 GCQLREGOIKNMQO-UHFFFAOYSA-N 286.291 0.079 0 50 CCAA COCC1(CNC(=O)CN2CCN(C)C2=O)CCCC1 534661399 KLUXBWKMNZVNFW-UHFFFAOYSA-N 283.372 0.677 0 50 CCAA COCCc1noc([C@H](C)NC(=O)Cn2cccn2)n1 584901137 HFBRIMRXQYSUOH-VIFPVBQESA-N 279.300 0.332 0 50 CCAA Cc1nc([C@@H](C)NC(=O)CNS(C)(=O)=O)c(C)s1 584903906 KEMQLPNPUQWHHB-ZCFIWIBFSA-N 291.398 0.486 0 50 CCAA O=C(NCc1nc(O)n[nH]1)c1cccc2c1NCCC2 584902762 NYJVJHLLVHCIGL-UHFFFAOYSA-N 273.296 0.798 0 50 CCAA Cc1c[nH]c(C(=O)NCc2nc(C(F)(F)F)n[nH]2)n1 584894486 JPUASPVUGYOMMR-UHFFFAOYSA-N 274.206 0.785 0 50 CCAA COCC1CCC(NS(=O)(=O)c2cn(C)nn2)CC1 1875290621 SSJJBJBWDFRLTK-UHFFFAOYSA-N 288.373 0.299 0 50 CCAA CC(C)(C)[C@@H]1CCN(c2ccc(S(N)(=O)=O)nn2)C1 1875287230 ZPAZEEXECBGEAG-SECBINFHSA-N 284.385 0.996 0 50 CCAA CC[C@@](C)(O)[C@H](O)C(=O)NCCc1cccc(OC)c1 1875335604 XSDVRRKOTNOVHU-UKRRQHHQSA-N 281.352 0.876 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CC[C@@H]2COC)CC1 1875365085 SLWPALFQHQBSOR-GFCCVEGCSA-N 266.341 0.658 0 50 CCAA O=C(C1OCCO1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 1875311666 JLPRLSAMCRVJEJ-JTQLQIEISA-N 292.339 0.761 0 50 CCAA Cc1cnn(C[C@H]2NC(=O)[C@@H](Cc3ccco3)NC2=O)c1 1875307910 WAONNULMFMZJMH-VXGBXAGGSA-N 288.307 0.010 0 50 CCAA COc1cccc(C)c1C(=O)NC[C@H](O)CN(C)C 952871679 AWCIEHAIVKIMPQ-NSHDSACASA-N 266.341 0.656 0 50 CCAA C[C@@H](O)C(=O)N1CCC(CNC(=O)C2CCC2)CC1 952964585 OGQDWCUXLQYWJW-SNVBAGLBSA-N 268.357 0.522 0 50 CCAA CC(=O)NC1(c2noc([C@]3(N)CCN(C)C3)n2)CCCC1 886078359 WEMQQRFJUPIDOC-ZDUSSCGKSA-N 293.371 0.465 0 50 CCAA O[C@H]1C[C@H](c2nc[nH]n2)C[C@H]1CNc1ncc(F)cn1 888095548 QEHJRZPJVRFJIF-WEDXCCLWSA-N 278.291 0.700 0 50 CCAA CCO[C@@H]1CN(C(=O)c2cc(C)sn2)C[C@@H]1CO 888100741 MTZXPTATDAOXHU-MWLCHTKSSA-N 270.354 0.921 0 50 CCAA O=C(C[C@@H]1CCNC1=O)NC1(c2ccccc2)COC1 888561677 BGRZJKHWNNAOPK-NSHDSACASA-N 274.320 0.555 0 50 CCAA C[C@@H](Cc1cnccn1)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 1775959704 RGEOOGDFCZFOCC-SCUASFONSA-N 273.340 0.568 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(N)=O)C2)[C@H]1CN 247121036 MPKUHONBWMSGFC-WOPDTQHZSA-N 282.388 0.363 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)CN(C)Cc1ccccn1 1565510834 QBJQEJNGXWBGMZ-KBPBESRZSA-N 293.367 0.434 0 50 CCAA COc1cc(N2C[C@H](C)[C@@](O)(C3CC3)C2)nc(N)n1 1565514429 HZXQCICVJGAQJS-ISVAXAHUSA-N 264.329 0.665 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C)C2 1565513460 HSPUBXSGVYAISR-RYUDHWBXSA-N 298.412 0.741 0 50 CCAA CC(C)[C@@H](Sc1cnccn1)C(=O)NC(N)=O 169997852 FKIYOYRJYIRBCR-MRVPVSSYSA-N 254.315 0.788 0 50 CCAA COC(=O)CCc1nnc(NC(=O)[C@]2(C)CCCN2)s1 170050292 OCVAJEUITLORDZ-LBPRGKRZSA-N 298.368 0.724 0 50 CCAA Cc1ccnc(N2C[C@H](C)N(CCO)[C@H](C)C2)n1 516244955 ODZRRSXVCKLIDX-TXEJJXNPSA-N 250.346 0.676 0 50 CCAA Cn1ncc2c(N3CC(=O)N(C4CC4)C3)ncnc21 407974592 FUVZDURBIVLBST-UHFFFAOYSA-N 258.285 0.132 0 50 CCAA CC(C)[C@](C)(O)C(=O)N1CCO[C@]2(CCO[C@H]2C)C1 408300657 ZICRDOKOHQQWLR-FPMFFAJLSA-N 271.357 0.800 0 50 CCAA O=C(O)[C@H]1CCC[C@@H](C(=O)N2CCS(=O)(=O)CC2)C1 111472412 JPVYPOHTNDYSCD-ZJUUUORDSA-N 289.353 0.134 0 50 CCAA CC[C@@H]1OCC[C@H]1C(=O)N1CCn2c(C)nnc2C1 796195099 FXXRLSFRTUNLDP-MNOVXSKESA-N 264.329 0.744 0 50 CCAA Cc1ncsc1CCN(C)C(=O)c1cnn[nH]1 1506405118 XJKOJBSFYNNCBM-UHFFFAOYSA-N 251.315 0.884 0 50 CCAA CN(CCN1CCCC1)c1cc2nncn2c(N)n1 1506396935 OTTLAGQQKWDUKF-UHFFFAOYSA-N 261.333 0.239 0 50 CCAA CN(C[C@H]1CCCN(CCO)C1)C(=O)c1cccc(O)n1 1506401661 KZBSYLACRSMSNA-GFCCVEGCSA-N 293.367 0.564 0 50 CCAA CC1CCN(C(=O)CS(=O)(=O)C(F)F)CC1 1459257595 BZNXTLYUQWAKOP-UHFFFAOYSA-N 255.286 0.882 0 50 CCAA Cc1nccc(N2CCc3c(c(C(=O)O)nn3C)C2)n1 1704303214 FMBXNUZAKHHLCB-UHFFFAOYSA-N 273.296 0.779 0 50 CCAA Cc1ncc(CN(CCO)C(=O)Cc2c(C)noc2C)[nH]1 1704316355 NEUVKXPXNWUVKZ-UHFFFAOYSA-N 292.339 0.887 0 50 CCAA C[C@@H](C(=O)N1CCN(C(=O)C2CC2)C1)c1cnn(C)c1 1615546702 BVTWISMYYFWRPU-SNVBAGLBSA-N 276.340 0.562 0 50 CCAA CCC[C@@]1(CO)CCCN1C(=O)[C@H](C)NS(C)(=O)=O 331278622 AAFISZMMROIHDJ-JQWIXIFHSA-N 292.401 0.078 0 50 CCAA CCOC(=O)N1CCN(C[C@H](O)COC(C)(C)C)CC1 20707192 YVFDPUYRWQOXNZ-LBPRGKRZSA-N 288.388 0.937 0 50 CCAA CC1=N[C@](C)(C(=O)N(C)c2ccccc2)[C@@H]2C(=O)NC(=O)[C@@H]12 1848444147 QPRRBSBLIQTGET-MKBNYLNASA-N 299.330 0.771 0 50 CCAA CCc1nc(C)c(CN2C[C@H]3CNC[C@@]3(CO)C2)[nH]1 1772700333 CVSNLYCLLJFOFJ-RISCZKNCSA-N 264.373 0.294 0 50 CCAA Cc1nc(C)c(S(=O)(=O)N2CCC[C@@H]2CN)s1 237609920 ATUNHNGSKXPCAM-SECBINFHSA-N 275.399 0.872 0 50 CCAA CCn1cc(CCN2CC[C@@](O)(Cn3ccnn3)C2)cn1 671630788 NVKIGKPRFGBKHS-AWEZNQCLSA-N 290.371 0.174 0 50 CCAA CN([C@@H]1CCOC1)S(=O)(=O)c1cc(C(=O)O)ccn1 388976164 XGHSRKDDQQNHHH-SECBINFHSA-N 286.309 0.189 0 50 CCAA CN(C)C(=O)c1c[nH]nc1NCc1ccnc(O)c1 902659316 JEPGIHSBPRDDMA-UHFFFAOYSA-N 261.285 0.824 0 50 CCAA O=C(N[C@@H]1COCC[C@H]1O)c1cncc(Cl)c1 219869108 JOFXSTFLLKQZAP-NXEZZACHSA-N 256.689 0.615 0 50 CCAA C[C@H](C(=O)O)N1CCO[C@](C)(c2cnn(C)c2)C1 262438135 CMINZRQGRXWQFF-SKDRFNHKSA-N 253.302 0.441 0 50 CCAA Cn1c(CCN)nnc1SCC[C@H]1CCOC1 426399118 YPHDZPQBOAYWIN-SECBINFHSA-N 256.375 0.835 0 50 CCAA CC(C)C(=O)N[C@@H]1C[C@@H](C(=O)N2CCCC2)CC[C@H]1O 2100483864 UXQLCXWGOZFNNV-YNEHKIRRSA-N 282.384 0.911 0 50 CCAA CCCc1nc(NC(=O)c2ccn(C)c(=O)c2)n[nH]1 2100557356 ZZNZSBAIVGALMP-UHFFFAOYSA-N 261.285 0.708 0 50 CCAA COC1(C(=O)NCc2cn3c(n2)CCCC3)CC(N)C1 2325801082 VJCDIUURPTVFIG-UHFFFAOYSA-N 278.356 0.342 0 50 CCAA C[C@@H](O)Cc1nccn1Cc1nnnn1C(C)(C)C 2325879772 HLESCDFUYWDWTB-SECBINFHSA-N 264.333 0.596 0 50 CCAA CN(C)c1nc(OCC(=O)NC(C)(C)C)nc(N(C)C)n1 619663 DYQNLHVUJBWTRC-UHFFFAOYSA-N 296.375 0.297 0 50 CCAA Cc1nc(N2CCN3CCNC(=O)[C@H]3C2)nc(C)c1C 2356138440 BUHKEOKUTGWFQT-GFCCVEGCSA-N 275.356 0.022 0 50 CCAA O=C(O)CNS(=O)(=O)c1cccc2nsnc12 3896896 PCCKBSAJRWIUCS-UHFFFAOYSA-N 273.295 0.054 0 50 CCAA C/C(Cl)=C/CON1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 105203701 WLTQHCQYBWQRBA-BAXJCHGFSA-N 269.684 0.999 0 50 CCAA COC(=O)Cc1c(C(=O)OC)[n+](=O)c2ccccc2n1O 138410871 VFDWFZJFWLRKRG-UHFFFAOYSA-N 293.255 0.295 0 50 CCAA CCNC(=O)CN(CC)S(=O)(=O)C/C=C/Cl 253427672 GJWQWOOLNPECIJ-AATRIKPKSA-N 268.766 0.527 0 50 CCAA CN1CCC[C@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 363647631 YTPDWBSFTLEGAC-AWEZNQCLSA-N 291.399 0.191 0 50 CCAA C[C@@H]1CCS(=O)(=O)CCN1Cc1cnc2cnccn12 330323408 HQMRBBFQHUKBRQ-LLVKDONJSA-N 294.380 0.738 0 50 CCAA O=c1cc(N2CCNCC2)cnn1Cc1ccccc1 261539033 BKFXCUVUFZNICX-UHFFFAOYSA-N 270.336 0.701 0 50 CCAA O=C(NCc1ccncn1)c1cc(=O)n(-c2ccccc2)[nH]1 215031863 BXBLCGOXXMOQQY-UHFFFAOYSA-N 295.302 0.886 0 50 CCAA C[C@@H]1CCCN(C(=O)c2nccnc2N)[C@@H]1C(=O)O 263054573 LOSOHFXOADCMQD-APPZFPTMSA-N 264.285 0.384 0 50 CCAA CN(C)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 71375382 MFAXIZVIJJNQHG-UHFFFAOYSA-N 286.353 0.549 0 50 CCAA CCN1CCCC[C@H]1CNC(=O)c1n[nH]nc1C 194091508 CFXZKTLBCZTSLG-JTQLQIEISA-N 251.334 0.717 0 50 CCAA C[C@@H](O)c1ccc(CNC(=O)[C@@H]2CNCCO2)cc1 178433981 VNVYLHCRFQJLMH-MFKMUULPSA-N 264.325 0.345 0 50 CCAA C[C@H]1CN(c2ncnc(-n3cccn3)c2N)CCCO1 178620161 IVBCWTIDYUXNJZ-JTQLQIEISA-N 274.328 0.860 0 50 CCAA CCn1ncnc1[C@@H](NC(=O)c1cnc[nH]1)C1CC1 426618489 YNHPHMNBEQTORW-JTQLQIEISA-N 260.301 0.902 0 50 CCAA Cc1cnn(C)c1CN1CCCN(C)C2(CCNCC2)C1 426544385 MWAOBISDHXCKPA-UHFFFAOYSA-N 291.443 0.988 0 50 CCAA CN1CCCC[C@H]1CCC(=O)NCCc1cc(=O)[nH]cn1 95355771 WYJVTETZTGFGRX-ZDUSSCGKSA-N 292.383 0.693 0 50 CCAA Cc1nnnn1CCCN1C[C@@H](C(=O)O)[C@H](C2CC2)C1 91965934 WCGNLMDNPCYLCV-NWDGAFQWSA-N 279.344 0.414 0 50 CCAA Cn1ccc(NC(=O)CN2CC[C@](C)(O)C(C)(C)C2)n1 91289326 AKFJDPANBDCZKM-AWEZNQCLSA-N 280.372 0.842 0 50 CCAA Cc1nn(C)c2nc(N(CCO)CCN(C)C)sc12 96166722 STCZANOLJQTCNU-UHFFFAOYSA-N 283.401 0.699 0 50 CCAA Cc1cc(=NC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)[nH]nc1C 626385154 XSVAHUGJHNTBSX-DMDPSCGWSA-N 276.340 0.892 0 50 CCAA C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc[nH]1 184076399 JXJXJFGXUODVKZ-GFCCVEGCSA-N 264.373 0.771 0 50 CCAA c1nc(N2C[C@@H]3NCCO[C@H]3C2)c2sccc2n1 534657126 DYKHZZOXSLRDJT-UWVGGRQHSA-N 262.338 0.868 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)NCCCO 534586398 QSKOPHMPCADFFA-SECBINFHSA-N 255.322 0.431 0 50 CCAA COCCN1C[C@H](CNC(=O)c2ncoc2C)CC1=O 299783312 YYTYDCWEIRJZLY-JTQLQIEISA-N 281.312 0.208 0 50 CCAA CN(C)[C@H]1CCN(CC(=O)NCc2n[nH]c3c2CCC3)C1 299762802 YFRJJSFJLNUXEU-NSHDSACASA-N 291.399 0.151 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)c1nc(C)c[nH]1 299778738 QOPQGKWZRQEFRV-VIFPVBQESA-N 278.316 0.447 0 50 CCAA Cc1nn(CCCNC(=O)C[C@@H]2CNCCO2)c(C)c1C 299770777 MMUHRZXNPNLVMV-CQSZACIVSA-N 294.399 0.693 0 50 CCAA CNC(=O)C[C@H]1CCN(c2nccc(OC)n2)C1 823820900 DAZRYFYSYREXRS-SECBINFHSA-N 250.302 0.448 0 50 CCAA O=C1NC(=O)[C@@H](Cc2ncnn2-c2cccc3c2CCC3)N1 828297423 DIFQVWZTJDTBTE-LLVKDONJSA-N 297.318 0.507 0 50 CCAA CN(C)C(=O)NCC(=O)N[C@@H](CN1CCCC1)C(C)(C)C 584894376 XYPDNVSTHUWSKK-LBPRGKRZSA-N 298.431 0.884 0 50 CCAA CN(C)S(=O)(=O)CCn1cnc2cccc(F)c2c1=O 584889672 UAYDOURDSAWNSM-UHFFFAOYSA-N 299.327 0.427 0 50 CCAA CC1(C)SC[C@@H](C(=O)NCC2(CO)CCC2)NC1=O 670442310 GTZIQHHUWNDMOW-VIFPVBQESA-N 286.397 0.275 0 50 CCAA O=C1CC[C@@H](NC(=O)c2cc(C3CC3)ccn2)C(=O)N1 1875293535 UDOIWGTUYQUSAH-SNVBAGLBSA-N 273.292 0.494 0 50 CCAA Cc1noc(C[C@@]2(O)CCCN(Cc3ccon3)C2)n1 886091761 QHKQRCQELASQRR-ZDUSSCGKSA-N 278.312 0.936 0 50 CCAA C=CC(=O)N[C@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C 1776000271 MCXTZHNTWCJMLC-QWRGUYRKSA-N 274.386 0.737 0 50 CCAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1cnn[nH]1 1565512519 PUQAWOONPUIGPK-ONGXEEELSA-N 289.295 0.166 0 50 CCAA CO[C@@H](CS(=O)(=O)N1CCC[C@@]1(C)C(=O)O)C(C)C 630446686 RAWSEGYBLRHYJP-JQWIXIFHSA-N 293.385 0.926 0 50 CCAA CN(C[C@H]1CCCOC1)S(=O)(=O)c1ccnn1C 274119432 FJZNQYIAIMFMFK-SNVBAGLBSA-N 273.358 0.467 0 50 CCAA COc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N(C)C)ccn1 1074606200 NWBPVKCHUGSYAB-GHYVTOPFSA-N 291.351 0.538 0 50 CCAA CC(C)CN1CCN(c2ccc(C(N)=O)nn2)[C@H](C)C1=O 548286127 VELVFDXDYRYFNN-SNVBAGLBSA-N 291.355 0.269 0 50 CCAA CCN1CCN([C@H](C)CNS(=O)(=O)C2CC2)CC1 170603647 ZABGGZWUFQKPPP-LLVKDONJSA-N 275.418 0.094 0 50 CCAA CCOC(=O)c1cc(C)n(CC(=O)N(CCO)OC)c1C 170602726 WIMUWWPOAJONJO-UHFFFAOYSA-N 298.339 0.664 0 50 CCAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NCCCNS(C)(=O)=O 224586902 BAXYLNFFBFECEH-AXFHLTTASA-N 276.402 0.329 0 50 CCAA CCc1noc([C@@]2(O)CCN(C(=O)[C@H](C)SC)C2)n1 225528122 PUBCNWAGWBZVKY-QPUJVOFHSA-N 285.369 0.803 0 50 CCAA Cn1ncnc1CNC(=O)c1cn(C(C)(C)C)nn1 188487938 AOZFSGWHMJFNLL-UHFFFAOYSA-N 263.305 0.092 0 50 CCAA O=C(c1ccc2c(c1)COB2O)N1CC[C@@H]2OCC[C@@H]2C1 585003201 HBXKYDLWITXBSY-RISCZKNCSA-N 287.124 0.155 0 50 CCAA CN(C)[C@@H]1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1(C)C 585089415 LLVXBWAYHOSTLJ-VXGBXAGGSA-N 277.368 0.844 0 50 CCAA O=C([C@H](O)c1cccnc1)N1CCc2n[nH]cc2C1 732277503 NVSMYNNXXVBKDJ-GFCCVEGCSA-N 258.281 0.423 0 50 CCAA COc1nc(N2CCN(C)C(=O)[C@H]2C)ncc1F 1529103957 ILCBRZFAQZDFKF-SSDOTTSWSA-N 254.265 0.291 0 50 CCAA Cc1nc(C)c(C(=O)N=c2[nH]oc3nccnc23)o1 1875243310 AOYNFXVGDURAGQ-UHFFFAOYSA-N 259.225 0.897 0 50 CCAA CS(=O)(=O)CCN1C[C@H](C(=O)O)[C@@H](C2CC2)C1 247515429 JPXLRRKIFZAZMM-ZJUUUORDSA-N 261.343 0.074 0 50 CCAA O=C(CCCn1cccn1)N1CCC([C@@H](O)CO)CC1 1772709111 HYCHRSIDNGJLHB-ZDUSSCGKSA-N 281.356 0.255 0 50 CCAA CN=c1[nH]c(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)cs1 1857682183 FVQQVLHRRYYZRQ-LKEWCRSYSA-N 253.327 0.514 0 50 CCAA CCN1CCn2c(nnc2[C@H](C)N2CCOCC2)C1=O 1772819844 VNRDVWQHXCIQFX-JTQLQIEISA-N 279.344 0.147 0 50 CCAA O=C(O)[C@@H]1COCCN(C(=O)c2n[nH]c3ccccc23)C1 1772815296 GGGRQGXEUDMRSE-VIFPVBQESA-N 289.291 0.736 0 50 CCAA Cc1nc(O)c2c(n1)CN(C[C@@H](O)C1CCNCC1)CC2 1857709080 DBIYNJSQLBOBMW-CQSZACIVSA-N 292.383 0.209 0 50 CCAA Cc1cccn2c(CNC(=O)[C@H]3C[C@H](N)[C@@H](O)C3)cnc12 1857733117 WBDRBNYWRJHBBL-DRZSPHRISA-N 288.351 0.357 0 50 CCAA O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 1236585 SCEUAHLNMWSZJE-LLVKDONJSA-N 266.272 0.601 0 50 CCAA in-vitro COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Cn1cccn1 245316905 LEDAFFTZKHZKMI-YRRQLQLVSA-N 277.324 0.587 0 50 CCAA CN(C)CCNC(=O)NCc1nc(-c2ccccc2)n[nH]1 762427304 TXUUCVSQMVHNGL-UHFFFAOYSA-N 288.355 0.833 0 50 CCAA OC[C@H]1CCN(c2ncnc3ccccc23)C[C@H]1O 571354931 ABYYOJNPFYXAOP-ZWNOBZJWSA-N 259.309 0.809 0 50 CCAA C[C@]1(NC(=O)c2ccnc(C(=O)O)c2)CCOC1 164865734 YBMBQAGZUVJMLK-LBPRGKRZSA-N 250.254 0.689 0 50 CCAA CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 617888 UXNUXMJMBKVIPW-LLVKDONJSA-N 286.328 0.725 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1Cc2cccnc2C1 907952870 BVZLLMPGXSMYHM-UHFFFAOYSA-N 259.309 0.958 0 50 CCAA Cc1nn(C)c2ncc(S(=O)(=O)NC(=O)C3CC3)cc12 816199643 GISUNWKBYWABJH-UHFFFAOYSA-N 294.336 0.492 0 50 CCAA COC[C@]1(C(=O)O)CCCN1Cc1cnc2cnccn12 818629429 FFPHRRBZKXISSP-AWEZNQCLSA-N 290.323 0.795 0 50 CCAA COc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1C 4853335 AFJBJKLGBTWGME-QMMMGPOBSA-N 272.326 0.156 0 50 CCAA C[C@@H]1CNCCN1C(=O)Cc1cn2ccccc2n1 124591410 MPAKAIWUCWTBPJ-LLVKDONJSA-N 258.325 0.697 0 50 CCAA CCOc1cc(N2CCC(N)(CO)CC2)ncn1 124697618 OVWLHYQFPAKYTG-UHFFFAOYSA-N 252.318 0.165 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)Nc2ccccc2)CC1 8169493 NCKXLZQKJBRWAO-UHFFFAOYSA-N 283.353 0.796 0 50 CCAA Cc1nc([C@H]2CN(Cc3cnns3)CCO2)n[nH]1 407948685 KFNYGIHJZSOXDY-SECBINFHSA-N 266.330 0.538 0 50 CCAA CN(CCN1CCNCC1)C(=O)C1CCSCC1 393660269 RGBBYFVAIDWPIC-UHFFFAOYSA-N 271.430 0.493 0 50 CCAA NC(=O)N[C@@H]1CSC[C@H]1OC(=O)c1ccccc1 288927 KIDXIMLQNCLUNO-NXEZZACHSA-N 266.322 0.996 0 50 CCAA biogenic O=C(NS(=O)(=O)c1ccco1)[C@@H]1C[C@@H]2CC[C@H]1O2 2325787668 OTGBXNJLJCYFAN-DJLDLDEBSA-N 271.294 0.652 0 50 CCAA CCn1cnc(CN2C[C@H]3COC[C@@H]2CN(C)C3)c1 2356147910 XXQSUPUNGABDFL-JSGCOSHPSA-N 264.373 0.665 0 50 CCAA COc1cccc(CNC[C@H]2CCCO2)c1OCC(N)=O 4999689 PXSZPACKWQJBPH-GFCCVEGCSA-N 294.351 0.828 0 50 CCAA O=S(=O)(NC[C@H]1CCCN1)N1CCCCCC1 53254625 OQMWCNLEPOHLTE-LLVKDONJSA-N 261.391 0.449 0 50 CCAA O=C(NCCO)c1c(O)c2cccc3c2n(c1=O)CCC3 100662807 NKNAFQYVRCOFIF-UHFFFAOYSA-N 288.303 0.375 0 50 CCAA biogenic O=C(O)c1nnn(Cc2ccc(F)cc2)c1C(=O)O 57509640 SBHSMORNXIUJII-UHFFFAOYSA-N 265.200 0.862 0 50 CCAA Cc1ccc(C)c(N([C@H](C)C(N)=O)S(C)(=O)=O)c1 10333147 IOGZUJNUYTVSAJ-SNVBAGLBSA-N 270.354 0.943 0 50 CCAA CC(C)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)nn1C 236600596 DFVDQRWTJNLMKI-LLVKDONJSA-N 281.312 0.469 0 50 CCAA Cc1ccc(CCN2C[C@H](N(C)CC(=O)O)[C@H](O)C2)cc1 328607987 XWZCUGSONIIQPW-LSDHHAIUSA-N 292.379 0.599 0 50 CCAA CCCN(CC(=O)O)C(=O)Cn1nnc2ccccc21 236920048 NHTACAZEVISLSL-UHFFFAOYSA-N 276.296 0.755 0 50 CCAA Cc1ccccc1OCC(=O)N1CCC[C@](O)(CO)C1 72145161 BWPHJRDPSNYKOF-OAHLLOKOSA-N 279.336 0.720 0 50 CCAA O=C(NCCc1noc(C(F)(F)F)n1)c1cn[nH]c1 214958620 JYBAZSLGKNYPQR-UHFFFAOYSA-N 275.190 0.784 0 50 CCAA O[C@]1(CN2CCC(OCc3cccnc3)CC2)CCNC1 72409998 UXRXEWLKQLTLKS-MRXNPFEDSA-N 291.395 0.787 0 50 CCAA CCN(CCn1cccn1)C(=O)[C@H](O)CCSC 215189482 HFBLPEIPRBFWJT-LLVKDONJSA-N 271.386 0.846 0 50 CCAA CN1CC[C@@H](C(=O)NC(C)(C)CCC(=O)O)CC1=O 262577307 DRPAXMMLVJZWPU-SECBINFHSA-N 270.329 0.614 0 50 CCAA CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)CCc1cn(C)nn1 611694882 CMXVZZFFNMBFFP-ZIAGYGMSSA-N 291.399 0.833 0 50 CCAA Cn1c(C(=O)N2CCO[C@]3(CCCOC3)C2)cccc1=O 286541118 YTCDUPFZACWRRL-OAHLLOKOSA-N 292.335 0.407 0 50 CCAA O=C(O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]23CCOC3)C1 263571577 JOYCXYCCQPVQLI-ZOWXZIJZSA-N 297.351 0.895 0 50 CCAA C[C@H]1OCC[C@H]1S(=O)(=O)NCc1ccc(C(=O)O)cc1 263555880 OGFPPCRANLBNGA-BXKDBHETSA-N 299.348 0.982 0 50 CCAA CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc2nn[nH]c12 527357546 HDXQYRBXMMEXCC-LLVKDONJSA-N 287.323 0.651 0 50 CCAA CNc1snc(C)c1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 176768929 NVDCDGBIDIBSLG-QMMMGPOBSA-N 294.380 0.986 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1nc[nH]c2nccc1-2 614456062 PRDICUSQHORSIL-APPZFPTMSA-N 273.296 0.306 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCCc2csc(N)n2)[nH]1 426411553 UIWUHWLEZXGCOI-UHFFFAOYSA-N 292.364 1.085 0 50 CCAA Cc1nonc1CC(=O)N[C@H](C)c1cn2ncsc2n1 223882230 BRYVSZGZSPANDF-ZCFIWIBFSA-N 292.324 0.902 0 50 CCAA O=C(NCCn1cccn1)NCC1CCNCC1 426619965 DKDWYVGUPBCAHN-UHFFFAOYSA-N 251.334 0.182 0 50 CCAA CN1CCC(=O)Nc2cc(C(=O)NCCC(=O)O)ccc21 269168541 GQBKHXMWUXRULM-UHFFFAOYSA-N 291.307 0.670 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@@H]2CCCCNC2=O)c1C 96152153 NCFJJNAALAZBMA-GFCCVEGCSA-N 278.356 0.744 0 50 CCAA CCc1cc(C(=O)N2C[C@H](CO)[C@H](CN(C)C)C2)ccn1 92106920 XKZIXTLRLRCDKN-ZIAGYGMSSA-N 291.395 0.886 0 50 CCAA CCCc1nc(C(=O)N2CCS(=O)(=O)CC2)cs1 91713814 IYNUOMYTSFVPTP-UHFFFAOYSA-N 288.394 0.966 0 50 CCAA CC(C)C1(CNC(=O)c2nccnc2C(N)=O)CC1 267820747 XBCPADCIPBWIIJ-UHFFFAOYSA-N 262.313 0.742 0 50 CCAA Cn1cnc2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc21 97546549 CKFYXKSNFRKBME-LLVKDONJSA-N 286.335 0.972 0 50 CCAA NC(=O)c1cc(C(=O)NCc2ccc(C(=O)O)cc2)c[nH]1 621539841 HFWWIUVTFMXCLD-UHFFFAOYSA-N 287.275 0.742 0 50 CCAA O=C(N[C@@]1(CO)CCOC1)c1cc(-c2ccncc2)on1 182933981 WMQMXHICBQTREH-CQSZACIVSA-N 289.291 0.618 0 50 CCAA CC(C)C[C@H]1COCCN1CCn1cc[nH]c1=O 244873076 WJPVEESJKOJOGF-LBPRGKRZSA-N 253.346 0.923 0 50 CCAA O=C1Nc2c(Cl)cccc2C(=O)N2C[C@H](O)C[C@@H]12 534632364 HQFQRBYLUABMBJ-MUWHJKNJSA-N 266.684 0.868 0 50 CCAA COCCCN1CC[C@@H](CNC(=O)c2ncc[nH]2)C1 824390236 XSCRBTLTCPVRCP-NSHDSACASA-N 266.345 0.498 0 50 CCAA CCS(=O)(=O)NC[C@H](C)N1CCc2n[nH]c(C)c2C1 670444273 GYLLWWCRTDALNW-VIFPVBQESA-N 286.401 0.404 0 50 CCAA O=C(c1[nH]nc2ncnc(O)c12)N1CCCC12CC2 1875297090 CAOINZNJBPMLCH-UHFFFAOYSA-N 259.269 0.827 0 50 CCAA O=C(c1nnc(O)nc1O)N1CC(F)(c2ccccc2)C1 1875257123 OXOZDCAUFUYMEW-UHFFFAOYSA-N 290.254 0.604 0 50 CCAA COC(=O)[C@H](C)CCN1Cc2nc(O)nc(O)c2C1 1875299201 CQTLTMFVPPUESX-SSDOTTSWSA-N 267.285 0.403 0 50 CCAA COC(=O)/C=C/CNC(=O)c1nnn(C)c1C(F)(F)F 1875273033 YGCKRRDMRPHPJI-ONEGZZNKSA-N 292.217 0.293 0 50 CCAA Cn1ccc(CN2CCNC[C@H]2c2cn[nH]c2)cc1=O 1875319397 ATDBXWDTFAIQDR-ZDUSSCGKSA-N 273.340 0.255 0 50 CCAA CS(=O)(=O)NC(=O)[C@H]1C[C@@]12CCOc1ccccc12 1875391132 ANKARMCHWMQCCK-ZWNOBZJWSA-N 281.333 0.803 0 50 CCAA COC1(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)CCC1 888079470 YDBGYJSXXAXUBL-HBNTYKKESA-N 265.313 0.243 0 50 CCAA CC(C)(C)n1nnc(CCS(=O)(=O)c2cccnc2)n1 1363190121 JGEXJHUGPXPCSI-UHFFFAOYSA-N 295.368 0.840 0 50 CCAA COCCN(C)CC(=O)N1C[C@H](C)[C@@](O)(C2CC2)C1 1565511719 RWQIDHWFJKZSLU-SMDDNHRTSA-N 270.373 0.184 0 50 CCAA Cc1c[nH]c(C(=O)N2C[C@@H](CO)C[C@@H](CN(C)C)C2)n1 1565512410 WMJJKYKTLSLPKX-RYUDHWBXSA-N 280.372 0.350 0 50 CCAA O=S(=O)(NC[C@@H]1COCCO1)c1cnn2ccccc12 1434545974 VBISGWWLYLKUKX-SNVBAGLBSA-N 297.336 0.028 0 50 CCAA O=C([C@H]1COc2ccc(O)cc2O1)N1CC[C@H](O)C1 631607949 NDTHYXNHJLSJTO-JOYOIKCWSA-N 265.265 0.125 0 50 CCAA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccnnc2)C1 276650118 YDMBNDIGCZDBMI-CQSZACIVSA-N 290.367 0.659 0 50 CCAA C[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@@H](F)C[C@H]1CO 408066547 ZMEIIJOLPKANDW-DLOVCJGASA-N 286.347 0.613 0 50 CCAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)Cn1nc(C)oc1=O 639969508 XTLLMKFVNZLWLX-MNOVXSKESA-N 297.355 0.855 0 50 CCAA NC(=O)c1c[nH]c(C(=O)N(C[C@H]2CCCN2)C2CC2)c1 190745046 SKIYSNGCCSQUGW-SNVBAGLBSA-N 276.340 0.470 0 50 CCAA CCOC1CC(C(=O)N2CCC[C@@]2(COC)C(=O)NC)C1 643947191 TYDYPFWGYUQNAT-KOHJWAIASA-N 298.383 0.555 0 50 CCAA O=C(NCCc1cn2ccccc2n1)[C@@]1(O)CCCNC1 662672183 XIMMUSJNFOQJOP-OAHLLOKOSA-N 288.351 0.108 0 50 CCAA Cc1nncn1CCN1CCC[C@]2(CC1)CN(C)C(=O)O2 1529133665 VFXBQMPCSNDZSI-AWEZNQCLSA-N 293.371 0.893 0 50 CCAA O=C(c1ccon1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529142029 XMCUMPYQHXWLRS-ZWNOBZJWSA-N 273.292 0.745 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cccc(F)c1F)C2 1704303788 BGPUSXKBUPAXQH-MNOVXSKESA-N 282.290 0.912 0 50 CCAA CC1=CC2(CCN(C(=O)[C@H]3CCC(=O)N3)CC2)OCC1 1704304273 LWCZJJDKCWSPGG-GFCCVEGCSA-N 278.352 0.993 0 50 CCAA O=C(O)[C@]12CN(Cc3ccncc3)C[C@@]1(C(=O)O)C2 1704327869 IVAGEEWIEADVOJ-BETUJISGSA-N 262.265 0.443 0 50 CCAA Nc1cc(C(=O)N2CCC(c3ccn[nH]3)CC2)[nH]n1 215240235 CWNBUWLUESVACD-UHFFFAOYSA-N 260.301 0.735 0 50 CCAA CC(C)(C)n1cnc(C(=O)N2C[C@H](F)C[C@@H]2CO)n1 332654765 DPGPPIUXMIVXOU-RKDXNWHRSA-N 270.308 0.578 0 50 CCAA Cn1nc(NC(=O)[C@H]2CC[C@H]2C(N)=O)cc1C(F)(F)F 1646997175 CYQMGHMEHYOXJF-RITPCOANSA-N 290.245 0.889 0 50 CCAA C[C@H](Oc1ccccc1)C(=O)NCCN1CCOCC1 19904097 DHRRNNCYOGYBAW-ZDUSSCGKSA-N 278.352 0.902 0 50 CCAA O=C(NCc1nc2ncccc2o1)[C@H]1CCn2ncnc2C1 1857675456 YTARWRMVQCHRJZ-VIFPVBQESA-N 298.306 0.693 0 50 CCAA O=C(N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cc2ccccc2[nH]1 1875243269 YZFOVRNVHFQPJW-REWJHTLYSA-N 288.303 0.425 0 50 CCAA CN1C(=O)CC[C@@H]1C(=O)NC1Cc2ccccc2C1 335869216 ZZLXVKJEHGHYDI-CYBMUJFWSA-N 258.321 0.891 0 50 CCAA CCN1C(=O)C[C@H](C(=O)O)[C@H]1c1nccn1CC 385097332 AJLNSCXMPYPORL-WPRPVWTQSA-N 251.286 0.897 0 50 CCAA Cc1noc2ncn(C[C@@H]3CCC4(COC4)O3)c(=O)c12 917909655 QQFXUIABSCIYMT-VIFPVBQESA-N 277.280 0.641 0 50 CCAA O=C(NCc1nc(CO)n[nH]1)[C@H]1CSc2ccccc21 828839155 SPLNWQHQJOKWJL-VIFPVBQESA-N 290.348 0.803 0 50 CCAA Cc1cnc2nc(C(=O)N3CCOCC[C@@H]3C)nn2c1 831697509 MWDHNKAPAMYACZ-JTQLQIEISA-N 275.312 0.684 0 50 CCAA O=C(c1ncoc1C1CC1)N1CCOC[C@H](O)C1 77539290 SBQZSUUTOUOUQN-SECBINFHSA-N 252.270 0.385 0 50 CCAA O=C(O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 620778 SFOGRWODCWJHPB-SNVBAGLBSA-N 285.321 0.842 0 50 CCAA Cc1ccc(S(=O)(=O)NCCn2cncn2)cc1 8844794 JGDMUNIYNOLCCQ-UHFFFAOYSA-N 266.326 0.565 0 50 CCAA CC1(C)CC(=O)C(C(=O)CC2CC(=O)NC(=O)C2)C(=O)C1 100540811 BDBLCWDVLJWJLB-UHFFFAOYSA-N 293.319 0.573 0 50 CCAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CN1CCOCC1 100453497 XZHZJFQCMYCOGX-GHMZBOCLSA-N 252.314 0.451 0 50 CCAA CSc1ncc(CN2CCN(C)[C@@H](CCO)C2)cn1 20867887 NGHCAAUQVAOAOP-LBPRGKRZSA-N 282.413 0.697 0 50 CCAA COC[C@H](O)CN(C)C(=O)c1cc(C(C)C)nc(N)n1 1506402554 JTCPTNOUESQBBE-SECBINFHSA-N 282.344 0.262 0 50 CCAA CCN(CC)S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 229357132 FLYRKAXMEUXKSY-NEPJUHHUSA-N 275.418 0.789 0 50 CCAA CCOC[C@H](O)CN1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 229922923 DNHXUNUXKXUWMP-GHMZBOCLSA-N 296.371 0.085 0 50 CCAA C[C@H](C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)n1cccn1 252679881 SNPHYGLWPOVCPQ-HZSPNIEDSA-N 292.383 0.502 0 50 CCAA COC[C@H](C)N[C@H]1CCCN(c2nccnc2O)C1 328626062 DUBCJCJHHVJEIK-QWRGUYRKSA-N 266.345 0.776 0 50 CCAA Cc1nc(CCN2Cc3ncccc3C2=O)cc(=O)[nH]1 65372427 VDGADIVQVUYFOJ-UHFFFAOYSA-N 270.292 0.672 0 50 CCAA CCCNc1ncc(CN2CCN(C)[C@@H](C(=O)O)C2)cn1 216358739 KOMOOYPSFZHNLC-GFCCVEGCSA-N 293.371 0.499 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(C)nc(C)n2)N(C)C1 330578196 SBZXJHUAJWKSEF-STQMWFEESA-N 292.383 0.885 0 50 CCAA CC[C@H]1COCCN1C(=O)c1cc(=O)c(OC)co1 77505032 UZEZOFHIJOLINY-VIFPVBQESA-N 267.281 0.899 0 50 CCAA COc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1F 35993541 WBMLWKWNKSRBHY-UHFFFAOYSA-N 288.344 0.770 0 50 CCAA CC(=O)N1CC[C@@](C)(C(=O)Nc2ccc3nncn3c2)C1 367693455 IENGMLMQJTVZNY-CQSZACIVSA-N 287.323 0.926 0 50 CCAA CC(=O)Nc1cccc(N2C[C@@H](C(N)=O)CC2=O)c1 33359510 AWKYANAREOXKMN-VIFPVBQESA-N 261.281 0.483 0 50 CCAA O=C(NCC1(CO)COC1)c1cccc2c1CCC2 333440751 LRWUWFOLWKEIND-UHFFFAOYSA-N 261.321 0.914 0 50 CCAA O=C1c2ccccc2C(=O)N1Cc1noc(C2CNC2)n1 217036808 VPNCVBQTOPCYNH-UHFFFAOYSA-N 284.275 0.553 0 50 CCAA CN1C[C@H]2CC[C@H](CC1=O)N2S(=O)(=O)c1ccoc1 334687414 BGKDNHUHKFTKFP-NXEZZACHSA-N 284.337 0.663 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2noc3c2CCCC3)CCO1 238132371 YUBRRORPFUALBY-SNVBAGLBSA-N 280.280 0.479 0 50 CCAA O=C(Cc1cccs1)NCc1cc2n(n1)CCNC2 82109713 HTNRZGSXAGNGQX-UHFFFAOYSA-N 276.365 0.907 0 50 CCAA Cc1nc(C)c(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)O)o1 223471529 MQHHANLSLJCFCH-ZJUUUORDSA-N 298.295 0.280 0 50 CCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1ccnn1C(C)C 426497317 VOKAFBFGLISHRS-ZYHUDNBSSA-N 267.329 0.998 0 50 CCAA O=C(NCc1cc(C2CC2)n[nH]1)N1CCS(=O)(=O)CC1 426526528 WRVVVEVEOXFPHV-UHFFFAOYSA-N 298.368 0.227 0 50 CCAA CCOCCNC(=O)Cn1ccc([C@@H]2CCCNC2)n1 426711288 JXZRITXSJHQHKQ-GFCCVEGCSA-N 280.372 0.503 0 50 CCAA Cc1ccnc(N2CC34CN(C)CC3(CN(C)C4)C2)n1 95385387 AYOGJYIKZAFQAN-UHFFFAOYSA-N 273.384 0.469 0 50 CCAA O=S(=O)(c1cccs1)N1CCO[C@@]2(CCOC2)C1 184295956 UCKYEOYDRSVUIQ-NSHDSACASA-N 289.378 0.928 0 50 CCAA O=C([C@@H]1C[C@@H](F)CN1Cc1cc[nH]c1)N1CCOCC1 299746528 YACYZTKMKMJCHS-OLZOCXBDSA-N 281.331 0.786 0 50 CCAA CCc1nccn1CCC(=O)NCC1(CO)CCOCC1 534657573 XRWZUHJJVDTXTC-UHFFFAOYSA-N 295.383 0.741 0 50 CCAA COC(=O)N1CCCC[C@@H]1C(=O)NCCn1ccnn1 534673685 FWNRSUXWDBRGOS-SNVBAGLBSA-N 281.316 0.015 0 50 CCAA Cc1nonc1CC(=O)NCCc1cn2ccccc2n1 827856323 XGCLSFADTCZHRH-UHFFFAOYSA-N 285.307 0.927 0 50 CCAA c1cnc(N2CCN(CCN[C@@H]3CCSC3)CC2)nc1 584889338 ITUQTBXFAWIDPE-CYBMUJFWSA-N 293.440 0.694 0 50 CCAA O=C(CCc1cn[nH]c1)NCCCN1CCCC[C@H]1CO 584887982 HAKGEYYZPPXMGK-AWEZNQCLSA-N 294.399 0.695 0 50 CCAA CCC1=NO[C@H](C(=O)NC2CCS(=O)(=O)CC2)C1 670438021 QNAWGYBHURBQJB-JTQLQIEISA-N 274.342 0.235 0 50 CCAA CO[C@]1(C(=O)O)CCN(C(=O)[C@H](C)n2cccn2)C1 630249947 QCDVQAVHDHWIJQ-JOYOIKCWSA-N 267.285 0.146 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@H]1CC(=O)N[C@@H](CC(C)C)C1 1875273159 BWROBTYZJAYTCT-RVAOTSRCSA-N 296.367 0.773 0 50 CCAA CN(C)C/C=C/C(=O)NCC1(C2(O)CCOCC2)CC1 1875376985 OVXGQWVAHCVKEN-ONEGZZNKSA-N 282.384 0.542 0 50 CCAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H]1CCCN1 952962222 CBNKNGRLDQBSPV-LLVKDONJSA-N 287.323 0.966 0 50 CCAA Cc1cnn([C@@H]2[C@@H](NC(=O)c3ncc(C)o3)C[C@H]2O)c1 886027167 LMUHRZLFONLRCS-HBNTYKKESA-N 276.296 0.592 0 50 CCAA Cc1nccc(N2CCN(CCc3cnn(C)c3)CC2)n1 273633381 SMUFVWUJBJWBFI-UHFFFAOYSA-N 286.383 0.883 0 50 CCAA CO[C@H](CS(=O)(=O)N1CCC[C@]1(C)C(=O)O)C(C)C 630446688 RAWSEGYBLRHYJP-ZYHUDNBSSA-N 293.385 0.926 0 50 CCAA N=c1nc(O)cc([C@@H]2CCN(C(=O)C3CC(F)(F)C3)C2)[nH]1 630724676 WLJDEQMSLXRTKX-SSDOTTSWSA-N 298.293 0.956 0 50 CCAA Cc1cc[nH]c1C(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1 583619043 ZHAZJSOOOUIPEA-ZDUSSCGKSA-N 275.312 0.565 0 50 CCAA O=C(NC1(CO)CCSCC1)c1cc(F)cnc1O 585121802 AOERIIMKLMHHTO-UHFFFAOYSA-N 286.328 0.914 0 50 CCAA C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@](C)(C(=O)O)C1 585139525 MTAJESUVSALDRF-ZANVPECISA-N 265.313 0.912 0 50 CCAA CNC(=O)c1ccc(=O)n(Cc2ccc(C(=O)O)cc2)c1 585980765 NIRIQKXTYQEXCO-UHFFFAOYSA-N 286.287 0.954 0 50 CCAA COC(=O)[C@]1(C)CCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 407960281 VJVQZRUANFRKTQ-XHDPSFHLSA-N 296.367 0.847 0 50 CCAA COCC(=O)N1C[C@@H](NC(C)=O)CC[C@@H]1C(F)(F)F 408061960 XRNUCHVAVITLGL-DTWKUNHWSA-N 282.262 0.691 0 50 CCAA O[C@H]1CN(c2ncc(Cl)cn2)C[C@@H]1N1CCCC1 222084437 YZQAIIKNNQXPBJ-QWRGUYRKSA-N 268.748 0.775 0 50 CCAA CCOC1CC(C(=O)N2CCC[C@]2(COC)C(N)=O)C1 643938035 GCNBWTHRXSOKKT-MGULZYLOSA-N 284.356 0.294 0 50 CCAA COc1ccnc(N2CCC[C@@H](N3CCOCC3)C2)n1 663950273 IPQQGCHCZGKGNJ-GFCCVEGCSA-N 278.356 0.786 0 50 CCAA O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1CCCN1CC(F)(F)F 665575995 VEQXOLOYHIJVNK-YIZRAAEISA-N 266.263 0.653 0 50 CCAA O=C(Cn1cc([C@@H]2CCCNC2)nn1)N1CCCC1 95384652 ARQJNUYYJILAKI-LLVKDONJSA-N 263.345 0.368 0 50 CCAA CC(C)Cc1cc(C(=O)N2C[C@@H](O)[C@H](F)C2)nc(O)n1 1506401763 LQILNWFDEWFHFE-MWLCHTKSSA-N 283.303 0.536 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)C2=C(C)OCCO2)C1 1506401938 HGBKVVCQSANLQQ-JTQLQIEISA-N 268.313 0.249 0 50 CCAA CN(C)C[C@@]1(CO)CCCN(CCCC(=O)O)C1 1529142473 OMNQUDWZELZYPZ-ZDUSSCGKSA-N 258.362 0.487 0 50 CCAA O=C(O)CC1CCN(C(=O)CN2CCCCC2=O)CC1 630099652 AVJRTBHKENDPSK-UHFFFAOYSA-N 282.340 0.712 0 50 CCAA C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](CC2CC2)C1 645119754 VXHVOHKCZANGQK-PWSUYJOCSA-N 288.413 0.915 0 50 CCAA CN1CCN(C(=O)Nc2nccs2)CCC1=O 664401707 SKDYUJMXOPXCKF-UHFFFAOYSA-N 254.315 0.839 0 50 CCAA CC(C)C[C@H]1NC(=O)[C@@H](C[C@H]2CCCOC2)NC1=O 1875278775 DOPHIMHNOFDUKC-IJLUTSLNSA-N 268.357 0.832 0 50 CCAA O=C(c1cccc2cccnc12)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772702835 XVNIMFIFPNTGBB-ZIAGYGMSSA-N 298.342 0.908 0 50 CCAA COCCN1C[C@H](C(=O)NCCSC)CCC1=O 12314987 GHNOGBODMVLBGY-SNVBAGLBSA-N 274.386 0.351 0 50 CCAA Cc1cc(C)n(C[C@H](C)NC(=O)Nc2ncn(C)n2)n1 19866441 AHVVNWGMLMRBSW-VIFPVBQESA-N 277.332 0.839 0 50 CCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)ncc2OC)CN1 1857674375 FQEJBWWECFRSAF-ONGXEEELSA-N 293.323 0.032 0 50 CCAA COc1nc(N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)ncc1F 1857731526 ULVBJEQDUGACHO-DVVUODLYSA-N 283.303 0.600 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2ccc(O)nc2)C[C@H]1O 1875248413 OVYDVTQEKIMJMB-IUODEOHRSA-N 294.351 0.773 0 50 CCAA CCCN(CC(=O)O)C(=O)c1ccc(C(N)=O)s1 236938089 UEZZENFEIDOXCP-UHFFFAOYSA-N 270.310 0.784 0 50 CCAA C[C@H]1C[C@@H](C(=O)N2CCC(n3cnnc3O)CC2)CO1 655042155 GFNHSQSPLGMBIE-VHSXEESVSA-N 280.328 0.572 0 50 CCAA CCOC[C@@H](O)CN1CCN(c2nc(C)cc(C)n2)CC1 265450140 AVSNXVKSNRQGCW-AWEZNQCLSA-N 294.399 0.613 0 50 CCAA COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2c[nH]nc2C(C)C)C1 592951364 IDQBDNOUKXQYSY-UWVGGRQHSA-N 295.339 0.529 0 50 CCAA Cn1ccc(S(=O)(=O)N[C@@H]2Cc3ccccc3[C@H]2N)n1 903549865 JGUHBVUSDANJEP-DGCLKSJQSA-N 292.364 0.323 0 50 CCAA C[C@]1(O)CCOC2(CCN(C(=O)c3cc(N)n[nH]3)CC2)C1 1704298178 GKXNRVJFYLBGJK-ZDUSSCGKSA-N 294.355 0.528 0 50 CCAA O=C(O)[C@H]1[C@H]2CN(C(=O)CCCn3cccn3)CC[C@H]21 910847047 XMPVRVMXQWXFKT-NTZNESFSSA-N 277.324 0.842 0 50 CCAA C[C@@H]1CC[C@H](CO)N1C(=O)[C@H]1CCc2cncn2C1 922010068 CFXBBVYLUAFGCP-NTZNESFSSA-N 263.341 0.817 0 50 CCAA CN(C)C(=O)[C@@H]1CCCN1c1cccc(C(=O)O)n1 263490318 IKDYAPWGTUMRGX-JTQLQIEISA-N 263.297 0.837 0 50 CCAA Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)c1 625595872 JKLITHXJITZPSS-RYUDHWBXSA-N 285.365 0.732 0 50 CCAA CN1CC[C@@H](O)[C@H](C(=O)NCCOc2ccccc2)C1 2100534364 FHMKAJYDHBUBTH-ZIAGYGMSSA-N 278.352 0.494 0 50 CCAA C1CCN(Cc2nc([C@@H]3CNCCO3)no2)CC1 1875273935 LFKKUWYKTWDABK-JTQLQIEISA-N 252.318 0.716 0 50 CCAA Cn1cc(Cl)c(=NC(=O)N2C[C@@]3(C)C[C@H]2CO3)[nH]1 2325763772 AMOUKQKKYJPZAR-WRWORJQWSA-N 270.720 0.891 0 50 CCAA O=C(O)[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1 56865 AYSUEIZKNBGWGN-VIFPVBQESA-N 264.237 0.802 0 50 CCAA Cc1cc(SCC(=O)N2CCOCC2)ncn1 1286560 NMSRRHQMBVQZCP-UHFFFAOYSA-N 253.327 0.736 0 50 CCAA CC(=O)Nc1ccc(NC(=O)C[C@H]2NCCNC2=O)cc1 4539082 MOFSHANVURXADJ-GFCCVEGCSA-N 290.323 0.062 0 50 CCAA CN1CCN(Cc2ccc(OCCO)cc2)C[C@H]1CCO 104358944 FKOCXAUNRNVHSQ-OAHLLOKOSA-N 294.395 0.556 0 50 CCAA CSc1ccccc1-n1c(Cc2nnn[nH]2)n[nH]c1=O 65490014 QXUSPNOODUDHMU-UHFFFAOYSA-N 289.324 0.386 0 50 CCAA O=C(CS(=O)(=O)C1CC1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 333141944 YZRINDADPMELOX-XRRVDJEJSA-N 281.377 0.844 0 50 CCAA CNC(=O)[C@@H](C)N(C)Cc1cnc(N2CCCC2)nc1 67758340 VBIABTGANAAVDG-LLVKDONJSA-N 277.372 0.643 0 50 CCAA C[C@H](NC(=O)[C@H]1CCC[C@H]1CN)C(=O)N1CCCC1 252682473 CCJGRSLMJBTTLW-SRVKXCTJSA-N 267.373 0.489 0 50 CCAA CN1CCN(C(=O)[C@@H]2CCCO2)C[C@H]1c1ncc[nH]1 328621909 IBCBMZDOJMPBTO-QWRGUYRKSA-N 264.329 0.404 0 50 CCAA CCc1ccnc(C(=O)NC[C@H]2COCCO2)c1 330635864 DSCPMKQESAAIOI-NSHDSACASA-N 250.298 0.789 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc2c(c1)CCC2 77452699 NUIWSRSJZBSWPB-KGLIPLIRSA-N 287.363 0.463 0 50 CCAA O=C(c1ccncc1F)N1CCC[C@@](O)(CO)CC1 72145669 CSKNIMRRMVRXLY-ZDUSSCGKSA-N 268.288 0.570 0 50 CCAA Cc1cc(N2CC[C@](O)(c3c[nH]nn3)C2)nc(C2CC2)n1 284595145 QMEFKBSZFYMTBE-CQSZACIVSA-N 286.339 0.878 0 50 CCAA CCc1ccc(C(=O)NCC(=O)O)cc1S(C)(=O)=O 263284529 TYEZGXPECJCYPU-UHFFFAOYSA-N 285.321 0.467 0 50 CCAA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1cc[nH]c1 223114173 RXVIZOLZBHAEHP-CHWSQXEVSA-N 281.356 0.480 0 50 CCAA CNC[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 178408813 UMHXWZMTSYYSBF-SWLSCSKDSA-N 273.380 0.769 0 50 CCAA O=C(NCCn1cccn1)N1CCCC[C@@H]1CO 426498753 SHIMGHNYCSPWQR-LLVKDONJSA-N 252.318 0.440 0 50 CCAA CCc1[nH]nc2c1CN(C(=O)[C@H]1CCS(=O)(=O)C1)CC2 426527152 ZTLONYPGANJLFF-VIFPVBQESA-N 297.380 0.292 0 50 CCAA NCCOc1ccc(F)cc1C(=O)NCCn1ccnc1 426734531 QJUUUZHYDHDZIE-UHFFFAOYSA-N 292.314 0.790 0 50 CCAA Cc1nc(CN2CCC3(CC2)OCCC[C@H]3O)n(C)n1 95361716 QCBFMWNGWUVZAQ-GFCCVEGCSA-N 280.372 0.629 0 50 CCAA Cc1ccc(-c2noc(-c3c[nH]c(=O)cn3)n2)nn1 91693893 IEKPYRXNQZWDCB-UHFFFAOYSA-N 256.225 0.585 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25CC=CC[C@]12[C@H]3[C@H]45 248048750 QHLGHZYVJAXKCF-LPGSYLIJSA-N 269.304 0.286 0 50 CCAA O=C(CO)N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 244787780 QDPLWEVMDCSSEG-NDMJEZRESA-N 253.273 0.746 0 50 CCAA O=C(CCCNC(=O)c1cnccn1)NCc1ccccn1 604419674 STBJHTZHWQDGQQ-UHFFFAOYSA-N 299.334 0.698 0 50 CCAA C[C@H](CCNc1cncc(C(N)=O)n1)N1CCN(C)CC1 534663306 OGWXBEOKUXSPOO-LLVKDONJSA-N 292.387 0.013 0 50 CCAA CCN1CCN(CC(=O)NCc2ccc(C)o2)CC1 634310733 BFIUFKOLOFHPFO-UHFFFAOYSA-N 265.357 0.842 0 50 CCAA COc1cccc(C)c1NC(=O)NC[C@@]1(O)CCNC1 299782255 FVWWMVGCVCZOCO-CQSZACIVSA-N 279.340 0.850 0 50 CCAA CCCN1CCC(N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)CC1 299777460 MXKGUCLCRIZLMG-ZFWWWQNUSA-N 296.459 0.787 0 50 CCAA CO[C@H]1CN(C2CC(C)(C)NC(C)(C)C2)C[C@@H]1O 824504756 MIXLQZXYBRPESN-RYUDHWBXSA-N 256.390 0.987 0 50 CCAA Cc1cccc(CCNC(=O)C[C@@H]2CC(=O)NC2=O)c1 685942310 LOPVWUOSSSEPPQ-GFCCVEGCSA-N 274.320 0.707 0 50 CCAA C[C@@H](NC(=O)CN1CCCCCC1=O)c1nn(C)cc1O 1456785996 HYHJNBMWOZODNR-SNVBAGLBSA-N 294.355 0.706 0 50 CCAA Cc1noc([C@]23CCN(C)C[C@H]2CN(C(=O)C2CC2)C3)n1 1875271786 VTVQHPIEAWQYLN-WFASDCNBSA-N 290.367 0.820 0 50 CCAA Cc1cccnc1C[C@@H]1NC(=O)C[C@@H]2C[C@@H](F)CN2C1=O 1875311011 JMSLROOHNRRYLT-MDZLAQPJSA-N 291.326 0.760 0 50 CCAA N=C(N)NC(=O)[C@H]1CCCN(CCc2ccccc2)C1 1875301209 DPALHHPYEKLTEP-ZDUSSCGKSA-N 274.368 0.951 0 50 CCAA OCCOc1cccc(CN2C[C@@H](O)[C@H](F)C2)c1 952869310 HAXWGGGNGIPXFB-CHWSQXEVSA-N 255.289 0.572 0 50 CCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCc1c(F)cccc1F 952868891 BWWFMKPLINDOLC-JTQLQIEISA-N 297.261 0.569 0 50 CCAA CCn1cc(CC(=O)N[C@H]2C[C@H](N)C23CCC3)cn1 1514665129 REVIPQYTACVNFU-RYUDHWBXSA-N 262.357 0.832 0 50 CCAA O=C(NC[C@H]1CCNC[C@@H]1O)c1cccc(F)c1F 1565515006 OUEOAPNLWAZGOD-KCJUWKMLSA-N 270.279 0.665 0 50 CCAA CCc1nn(C)cc1C(=O)N1CCO[C@@]2(CCOC2)C1 186050841 ZPSBXGJUNJAYLE-AWEZNQCLSA-N 279.340 0.614 0 50 CCAA O=C(NC[C@H]1CCc2nccn2C1)c1cnn2cccnc12 275369774 PDYDOTHVLXDIRM-LLVKDONJSA-N 296.334 0.918 0 50 CCAA Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)c(O)n1 170594769 ZMMXZYDJGGSPTA-VIFPVBQESA-N 279.296 0.329 0 50 CCAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@](O)(C(N)=O)C1 170614272 NJULZQOPWJMBDY-ISTVAULSSA-N 294.376 0.609 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)NCCc1ccnn1C 190259221 CGHZDBXKIDDQCB-JQWIXIFHSA-N 251.330 0.894 0 50 CCAA COc1ccc2oc(N3CCN(C)C[C@@H]3CN)nc2c1 563143177 PAHALSCJXZKYPX-JTQLQIEISA-N 276.340 0.916 0 50 CCAA CN(C)c1cnc(C(=O)N2Cc3cncnc3C2)cn1 572974559 YOMHAWKYTJIOBR-UHFFFAOYSA-N 270.296 0.489 0 50 CCAA CC(C)Cc1c[nH]c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 573384661 CPEFOJPPOURCIG-KBPBESRZSA-N 279.384 0.960 0 50 CCAA C[C@@H](NC(=O)CN1C(=O)Cc2ccccc21)c1nncn1C 666475150 WKYMBBFBEMTHIB-SNVBAGLBSA-N 299.334 0.582 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)[C@H](C)C(C)(C)O 908585705 DREIAJDMVPRXGU-SNVBAGLBSA-N 256.346 0.639 0 50 CCAA CC(=O)NCC1CCN(C(=O)[C@]2(C)CC(C)=NO2)CC1 1506409335 GPPMMMUWTHRVKP-AWEZNQCLSA-N 281.356 0.916 0 50 CCAA O=C(O)c1nccnc1NCCCN1CCC[C@@H](CO)C1 1506417935 CSCCURBMEQJFMG-LLVKDONJSA-N 294.355 0.681 0 50 CCAA COCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529155767 ZTWLOSKGURBIHA-TZMCWYRMSA-N 265.309 0.594 0 50 CCAA OC[C@H]1CN(CCOCc2ccccc2)C[C@@H]1CO 705370965 TYYNVBMZSTXLBV-HUUCEWRRSA-N 265.353 0.736 0 50 CCAA COc1cc(C)nc(N2CCS(=O)(=O)C[C@H](C)C2)n1 408397806 UYDUFPAJFRGGFG-SECBINFHSA-N 285.369 0.665 0 50 CCAA CN(CC(F)(F)F)C(=O)CN1CCCC[C@H](O)C1=O 644322953 CSIFEQNIQWCMTM-QMMMGPOBSA-N 282.262 0.381 0 50 CCAA CC(C)c1cc(C(=O)N[C@@H](C)c2nnnn2C)n[nH]1 252500247 SQBRXXQKVPNENR-ZETCQYMHSA-N 263.305 0.548 0 50 CCAA CC(C)OCCCC(=O)N1CCOC[C@@H]1CC(=O)O 263284434 KIMDUBLIFGOWDA-NSHDSACASA-N 273.329 0.894 0 50 CCAA Cc1nc(N)nc(N2CC[C@@]3(CNC(=O)CO3)C2)c1Cl 1772818860 MFJNMHYTDVFPCY-GFCCVEGCSA-N 297.746 0.116 0 50 CCAA Cc1ccc(C(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)c(O)n1 1772816199 IEPPBMJDWOZLFM-PWSUYJOCSA-N 289.335 0.646 0 50 CCAA CN(C)[C@@H]1CN(c2ncccc2F)C[C@@H]1n1ccnn1 858757719 XDYXPUFVLRDEFV-NEPJUHHUSA-N 276.319 0.804 0 50 CCAA Cn1c(=O)[nH]c(=O)c2c1nc1n2CC(C(C)(C)C)=NN1 4316692 KQIFBDCPVFIEGB-UHFFFAOYSA-N 276.300 0.251 0 50 CCAA Cc1nccc(NCC2(C(N)=O)CCOCC2)n1 266173495 ZVADZZKWARKJPL-UHFFFAOYSA-N 250.302 0.479 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)C[C@H](C(=O)O)O1 909896846 DONLRSKMUXFVAP-KXGXSXBTSA-N 293.323 0.224 0 50 CCAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CC(CO)C1 1120579762 VRJJLVKBDLMFER-CHWSQXEVSA-N 261.325 0.245 0 50 CCAA O=C(O)c1cccc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)n1 111910371 ZHTDVRMQZKOCDZ-MRVPVSSYSA-N 298.320 0.087 0 50 CCAA COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(N)=O 4866929 ZVNSTCFVJPITGX-MRVPVSSYSA-N 272.326 0.156 0 50 CCAA CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC[C@@H](N)C1 236622357 NQXXTRZVFANZCG-GMTAPVOTSA-N 253.346 0.097 0 50 CCAA C[C@H](C(=O)O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 263567299 XJRINQWCYGMUGS-JLIMGVALSA-N 253.298 0.781 0 50 CCAA Cc1nc(N)cc(N2CCC(N3CCOC3=O)CC2)n1 91725332 NUADPHHMMFLXAD-UHFFFAOYSA-N 277.328 0.788 0 50 CCAA O=C(C1CC1)N1CCC(C(=O)N2CC=C[C@@H]2CO)CC1 95352428 WMMMTAGMIDSUQX-CYBMUJFWSA-N 278.352 0.394 0 50 CCAA CNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 383544228 FKDJXZRMTFDRAJ-QMMMGPOBSA-N 298.320 0.032 0 50 CCAA Cn1nc(C(=O)NC[C@@H]2CCCO2)c2ccccc2c1=O 611957 HNHANSHSSAUPQM-JTQLQIEISA-N 287.319 0.842 0 50 CCAA Cn1cc(C2CCN(S(=O)(=O)c3cnn[nH]3)CC2)cn1 2325775876 RWIBGVBWCDSCJG-UHFFFAOYSA-N 296.356 0.107 0 50 CCAA O=C(O)c1ccccc1CNS(=O)(=O)[C@H]1CCOC1 864499706 CNMQPOXPPZZKHL-JTQLQIEISA-N 285.321 0.593 0 50 CCAA Cn1cnc2nc(=NCc3cccnc3N)[nH]cc21 2356164797 HGIYTBKXVPNOBS-UHFFFAOYSA-N 255.285 0.375 0 50 CCAA Cn1nccc1CN1CCC[C@]12CCCN(CCO)C2=O 2356165383 GCAXKIPWJDSUIP-HNNXBMFYSA-N 292.383 0.369 0 50 CCAA CCCCOC(=O)N1CCN2CCN(C)C[C@H]2C1 106258894 QVWNSYMPCFFNLV-LBPRGKRZSA-N 255.362 0.855 0 50 CCAA CN(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O 22606750 FSRRFNQNHJLTFV-UHFFFAOYSA-N 278.280 0.795 0 50 CCAA CC1(C)NC(=O)N([C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)C1=O 349013129 JQZATPYLDMYVDU-YWVKMMECSA-N 295.339 0.143 0 50 CCAA O=C([C@@H]1CCCNC1)N1CCO[C@H]([C@@H]2CCCO2)C1 122017479 DRNANSGWNHUUDM-AGIUHOORSA-N 268.357 0.392 0 50 CCAA CC(C)(C)n1cc(CN2C[C@H](F)C[C@H]2C(N)=O)nn1 284727560 SUXHAMNVGVHDIR-SCZZXKLOSA-N 269.324 0.431 0 50 CCAA Cc1n[nH]c2ncc(NC(=O)c3nccnc3N)cc12 174385737 DEKKNBRVQGKZIG-UHFFFAOYSA-N 269.268 0.891 0 50 CCAA O=C(c1cc2ccccc2[nH]1)N1CCO[C@H](c2nn[nH]n2)C1 364528852 KMVNDOZIRHTFKK-LBPRGKRZSA-N 298.306 0.895 0 50 CCAA Cc1cc(C(=O)N2CCN[C@H](C)C2)ccc1S(N)(=O)=O 155181545 IDDIBRVMQZCUOE-SNVBAGLBSA-N 297.380 0.076 0 50 CCAA Nc1nnc(CCCNC(=O)[C@H]2CCC[C@H](O)C2)s1 218985598 MIOAOOVWMOKIKN-IUCAKERBSA-N 284.385 0.720 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)c3ncc(F)cc3F)[C@@H]2C1 285256415 MEQCRKILODYIED-VXGBXAGGSA-N 297.305 0.905 0 50 CCAA CCN1CCOC[C@@H]1c1nc(-c2nccn2C)no1 371944490 RIAWRSGWAOLSAM-SECBINFHSA-N 263.301 0.863 0 50 CCAA CN1CC[C@H]2OCCN(C(=O)CCn3ccnc3)[C@H]2C1 285995856 YPTMDUHOSJIDKJ-QWHCGFSZSA-N 278.356 0.205 0 50 CCAA CC[C@H](C)N(CC(=O)O)C(=O)[C@@H]1CCNC(=O)C1 236909761 XJNKJLRPFRDEHN-DTWKUNHWSA-N 256.302 0.224 0 50 CCAA NC(=O)[C@H]1COCCN1c1nc(-c2ccccc2)ns1 129125546 ZPMGGESQBKLYBT-SNVBAGLBSA-N 290.348 0.896 0 50 CCAA COCCn1ccc(C(=O)N[C@H]2CCn3ccnc3C2)n1 525891705 BUNCVVVOAFCVLP-NSHDSACASA-N 289.339 0.471 0 50 CCAA NC[C@@](O)(C(=O)O)c1ccc(Br)cc1 218777171 JZEQYXZFSBCRNY-VIFPVBQESA-N 260.087 0.680 0 50 CCAA CN(CC(=O)Nn1cnnc1)Cc1ccccc1F 71775971 YHPSSLFWGULPDN-UHFFFAOYSA-N 263.276 0.619 0 50 CCAA C[C@H](N=c1ccc(C(N)=O)n[nH]1)c1c(F)cncc1F 343807395 MQKIJKGPALZERD-LURJTMIESA-N 279.250 0.844 0 50 CCAA Cc1ncn(CCNC(=O)[C@@H]2CCS(=O)(=O)C2)c1C 426371929 CNDQZQGOFGSLNY-LLVKDONJSA-N 285.369 0.051 0 50 CCAA Cc1nn(C)cc1CNC(=O)N1CCCC[C@@H]1CC(N)=O 426548457 GKKAVRIIEIUGAN-GFCCVEGCSA-N 293.371 0.668 0 50 CCAA O=C(NCc1ccc(O)cc1)NC[C@@H](O)CN1CCCC1 426628784 PEZQPBYNFSFMRK-CQSZACIVSA-N 293.367 0.648 0 50 CCAA CN1CC[C@H](C(=O)N2CCN(C3CC3)CC2)CC1=O 195130187 FZZYGORSVGVHMD-NSHDSACASA-N 265.357 0.161 0 50 CCAA CC(C)[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 247964786 HCIRGBSRLDMWIV-GMTAPVOTSA-N 256.346 0.977 0 50 CCAA biogenic Cc1cccc(OC[C@H](O)CNC(=O)[C@@H]2C[C@H]2C(=O)O)c1 268915714 QAOGCIUYQDHHRP-RAIGVLPGSA-N 293.319 0.572 0 50 CCAA O=C(O)c1cccn2c(CN3CCOCC3)cnc12 258511702 KYAQYLOWMITUPE-UHFFFAOYSA-N 261.281 0.865 0 50 CCAA Cn1cccc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1 299778069 MCYIPZRLOJYARN-AAEUAGOBSA-N 263.341 0.618 0 50 CCAA CC(=O)N1CCC(Nc2cc(C(=O)O)ncn2)CC1 498050911 NXTBKOCHKRQULO-UHFFFAOYSA-N 264.285 0.598 0 50 CCAA CC[C@H](NC(=O)Cn1nc(C)cc1N)c1cnn(C)c1 822662119 AMIMLGPNSHGOAD-NSHDSACASA-N 276.344 0.775 0 50 CCAA CC(C)Cc1cc(CNC(=O)CCn2cnnn2)on1 584887080 IMSDLFGQIXJILV-UHFFFAOYSA-N 278.316 0.566 0 50 CCAA CCc1ocnc1C(=O)NC1CCS(=O)(=O)CC1 584890380 ALGLSHYABGFIRK-UHFFFAOYSA-N 272.326 0.544 0 50 CCAA CCn1ncc2ncn(Cc3nonc3C)c(=O)c21 865369668 GCIMQKSVRLTWJB-UHFFFAOYSA-N 260.257 0.353 0 50 CCAA CCCc1cncnc1NC[C@H]1CN(C)CCO1 584892004 YWVMSQJMSPLHOK-LBPRGKRZSA-N 250.346 1.172 0 50 CCAA Cc1nnc(CN2CCO[C@H](C(=O)N(C)C)C2)s1 670435788 XDOYMICSCIHQER-VIFPVBQESA-N 270.358 0.136 0 50 CCAA C[C@@H](C(=O)Nc1cc(C(F)(F)F)n(C)n1)S(C)(=O)=O 1548453344 ILRMHAUYFDVBNT-YFKPBYRVSA-N 299.274 0.811 0 50 CCAA Cn1cncc1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952848098 ATHWYFZKOYCDSC-CMPLNLGQSA-N 275.312 0.873 0 50 CCAA CC(C)c1cc(C(=O)NCC(=O)N2CCCC2)nc(N)n1 952872275 MJXRKQHKQCDZIT-UHFFFAOYSA-N 291.355 0.534 0 50 CCAA CC(C)[C@@H](CO)N(C)C(=O)CCCn1cncn1 952967745 LCSKGLOITFKPMC-LLVKDONJSA-N 254.334 0.534 0 50 CCAA Cn1cnnc1C[C@@]1(O)CCCN(CCOC2CCC2)C1 888077704 QFYDFSJJRHHUNW-HNNXBMFYSA-N 294.399 0.754 0 50 CCAA O=C(N[C@@H]1COC[C@@H]1NC(=O)c1ccco1)c1ccco1 888043678 NASKHXBJACOOEM-AOOOYVTPSA-N 290.275 0.800 0 50 CCAA CN1CC[C@@H](C(=O)NC2(CF)CCC2)S1(=O)=O 888092799 RRWDYSPFSQXPET-QMMMGPOBSA-N 264.322 0.029 0 50 CCAA N[C@H]1CC[C@@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 1565512815 LLZZNFRYXGZZES-RITPCOANSA-N 277.250 0.567 0 50 CCAA CCOC(=O)N1CCC(NN2CCN(C)CC2)CC1 23282644 AQYYWRHYMUUUTP-UHFFFAOYSA-N 270.377 0.359 0 50 CCAA COC[C@H]1CN(c2nc(C)nc(N)n2)C[C@H](C)O1 631233822 MTOPZAIBVOKWGD-IONNQARKSA-N 253.306 0.002 0 50 CCAA CS(=O)(=O)N(c1ccc(C=O)cc1)S(C)(=O)=O 95495770 BRCCIENXTHBMHV-UHFFFAOYSA-N 277.323 0.225 0 50 CCAA in-vitro COC[C@H](O)CN(C)C(=O)c1cccc(C(=O)O)c1 42527517 VOXYOOBZCWCGSW-LLVKDONJSA-N 267.281 0.464 0 50 CCAA CCCN(CC(=O)O)CC(=O)N1C[C@H](C)O[C@@H](C)C1 216452185 UBCPYZKLAVHVLN-QWRGUYRKSA-N 272.345 0.419 0 50 CCAA C[C@H](C(=O)NCc1ccco1)[C@@H](C)S(C)(=O)=O 225702138 ISZVSEBZEMXUSE-DTWKUNHWSA-N 259.327 0.965 0 50 CCAA C[C@@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)C(=O)O 583874598 ZGXLOAGNWXYFPP-BDAKNGLRSA-N 265.313 0.916 0 50 CCAA COC(=O)C[C@H](C)CN1CCN(C)[C@@H](c2nc(C)no2)C1 585117140 RZGMMTPLYYIKGL-CMPLNLGQSA-N 296.371 0.866 0 50 CCAA Cc1nnsc1CNc1n[nH]cc1C(=O)N(C)C 902659877 WRCCVWAOBNFGBC-UHFFFAOYSA-N 266.330 0.884 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CC[C@@H](SC)C1 908564024 SYXCWABWQJDRBP-SNVBAGLBSA-N 256.371 0.985 0 50 CCAA Cc1cc(C[C@@H]2CN(Cc3cncnc3)C[C@H]2O)n[nH]1 1529161190 BMIOIRIGAYNDFG-TZMCWYRMSA-N 273.340 0.544 0 50 CCAA O=C(NC[C@@H]1CCCN1)N1CCC[C@@H](CCO)CC1 333267482 JVPVTEWDGSPYFU-OLZOCXBDSA-N 269.389 0.933 0 50 CCAA CS(=O)(=O)c1ccc(N[C@@H]2C=C[C@H](CO)C2)nc1 681077610 MXJRTQNJUXCKMH-VHSXEESVSA-N 268.338 0.834 0 50 CCAA COc1ncc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cn1 1704296986 BHLNQNSAQWDDSY-FRRDWIJNSA-N 290.367 0.832 0 50 CCAA CCS(=O)(=O)NCCN=c1c(F)c[nH]cc1Cl 1615613172 GFUNEAKQTDESDH-UHFFFAOYSA-N 281.740 0.647 0 50 CCAA CCN1CCn2c(nnc2-c2ccn(CC)n2)C1=O 1772810388 LSRVLTSEPBHPLJ-UHFFFAOYSA-N 260.301 0.637 0 50 CCAA O=C(NCc1[nH]nc2ncccc12)[C@H]1CCS(=O)(=O)C1 1772819499 MNMBMQHXYMUXEJ-QMMMGPOBSA-N 294.336 0.009 0 50 CCAA CS(=O)(=O)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 12454312 CSIAKACVYSQOSJ-CYBMUJFWSA-N 296.392 0.769 0 50 CCAA CN1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1 19361416 UNBSCAJISLJXRQ-UHFFFAOYSA-N 291.351 0.991 0 50 CCAA Cc1n[nH]c(C)c1C(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1857713162 ZDAKGVZGAARGTA-NEPJUHHUSA-N 278.356 0.429 0 50 CCAA Cc1ncc(CNC(=O)[C@H]2COCCN2CC(F)F)o1 622692226 VYNVJCSVUJBVKZ-SNVBAGLBSA-N 289.282 0.565 0 50 CCAA CC1(C)[C@@H](O)C[C@@H]1NC(=O)C(C)(C)S(C)(=O)=O 129257148 UCMFNOVYBZGJRP-YUMQZZPRSA-N 263.359 0.085 0 50 CCAA COC(=O)[C@@H]1CNCCN1C(=O)OCc1ccccc1 21982831 HOLPEQRNMJTIIX-LBPRGKRZSA-N 278.308 0.770 0 50 CCAA in-vitro Cn1nnnc1CNc1cccc(CO)c1Cl 902063157 TUKLPUSNHQGTFO-UHFFFAOYSA-N 253.693 0.968 0 50 CCAA COCCn1nnnc1NC(=O)[C@H]1COc2ccccc21 906300863 XXDYOJXRYXZRCF-JTQLQIEISA-N 289.295 0.434 0 50 CCAA CC(C)NS(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 907224743 LYAVYGHDNUSIQH-UKKRHICBSA-N 258.343 0.114 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCNC1=O)C(=O)O 1857783307 AQQXONIFJQMESP-BDAKNGLRSA-N 286.328 0.881 0 50 CCAA C[C@H]1CN(C[C@@H](O)c2ccccc2)C[C@@H](CO)O1 230002268 WLOFNQGLIRLDRB-FPMFFAJLSA-N 251.326 0.802 0 50 CCAA Cc1ncn(CC(=O)C2CCOCC2)c(=O)c1C 188248848 UIAOXPVDJCQISS-UHFFFAOYSA-N 250.298 0.856 0 50 CCAA CCn1nncc1CNC(=O)N1CC[C@@](C)(C(=O)O)C1 529225283 QMSULDHKBXEVSL-GFCCVEGCSA-N 281.316 0.304 0 50 CCAA CC(C)C[C@@H](C(=O)O)N1CCN([C@@H]2CCOC2)CC1 629489042 AEAPEQVQJMWKTG-OLZOCXBDSA-N 270.373 0.892 0 50 CCAA C[C@@]1(O)CCN(CCn2cc(Cl)cn2)C[C@@H]1O 96136059 ICUMITHHIYYTEF-WDEREUQCSA-N 259.737 0.354 0 50 CCAA O=S(=O)(N1CCNCC1)N1CCCC[C@@H]1C1CCC1 923652663 NRGWZOKULQACGO-CYBMUJFWSA-N 287.429 0.791 0 50 CCAA Cc1ccc(O)c(CN2CCN([C@@H]3CCOC3)C(=O)C2)n1 2325803859 HBECDJIGAYKXRN-GFCCVEGCSA-N 291.351 0.529 0 50 CCAA O=C1CC2(CCC2)N(C(=O)[C@H]2C[C@]23CCOC3)CCN1 874918113 JXAGOGSUXJOXEX-RISCZKNCSA-N 278.352 0.684 0 50 CCAA Cc1nnc(SCC(=O)N2CCOCC2)s1 36120 WCMWFDWDRJFPBG-UHFFFAOYSA-N 259.356 0.797 0 50 CCAA Cc1nc2ccccc2c(=O)n1NC(=O)CCC(=O)O 1069615 WBQVWTADKAWIAB-UHFFFAOYSA-N 275.264 0.640 0 50 CCAA CC(C)(C)OC(=O)N1CC2(CNC[C@H]2C(=O)O)C1 307696121 CJLPPRCRWGZAHJ-QMMMGPOBSA-N 256.302 0.528 0 50 CCAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)cc1 2891160 QRYICECNBUINDF-JTQLQIEISA-N 298.364 0.581 0 50 CCAA Cc1ccc(NC(=O)C(=O)NC[C@H](C)O)cc1C 2993619 QHGNHZHGJHYQBR-JTQLQIEISA-N 250.298 0.739 0 50 CCAA CCCNS(=O)(=O)c1ccc(OC)c(C(=O)NC)c1 10008823 MRWHOLQWKJYAFY-UHFFFAOYSA-N 286.353 0.743 0 50 CCAA CC(C)N1CCC(C(=O)NC[C@@H]2CNCCO2)CC1 67934076 PXAYCBSXOKOOPV-ZDUSSCGKSA-N 269.389 0.211 0 50 CCAA CNc1ccnc(NCCCN2CCC(C(N)=O)CC2)n1 65499693 YWRDRCFXQNDHRP-UHFFFAOYSA-N 292.387 0.518 0 50 CCAA CCN(CCN1CCCCC1)C(=O)[C@H]1CCCN1C(N)=O 67974978 CZIWABFNGGTZTO-CYBMUJFWSA-N 296.415 0.864 0 50 CCAA COC(=O)CC[C@@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@@H]1O 15262972 RUDVTXZKYPJLFH-GHYVTOPFSA-N 266.293 0.802 0 50 CCAA in-vitro Cn1c(CCC(=O)N[C@@H]2CC[C@@H](N)C2)nc2cccnc21 67965285 FYHWGTWTOKOVCZ-GHMZBOCLSA-N 287.367 0.897 0 50 CCAA CC[C@H](O)CN1CCN(c2ncc(C)c(C)n2)CC1 152267978 NNEOJURNWLGWNR-ZDUSSCGKSA-N 264.373 0.986 0 50 CCAA Cc1ccc(S(=O)(=O)NCCCN)cc1N(C)C 122696305 QSZHDZRZCDSFST-UHFFFAOYSA-N 271.386 0.688 0 50 CCAA CC(=O)N(C[C@H]1CCCN1Cc1nc(O)n[nH]1)C1CC1 328628664 HLUFIUICLXSCDY-LLVKDONJSA-N 279.344 0.486 0 50 CCAA CCNC(=O)c1cccnc1N1CCN(C(C)=O)CC1 32578131 SHYKUAOLNPNJOT-UHFFFAOYSA-N 276.340 0.500 0 50 CCAA O=C(Cn1ccccc1=O)N1CCC[C@@H](O)CC1 408178192 PEPITNVSTDTVDM-LLVKDONJSA-N 250.298 0.222 0 50 CCAA C[C@H](C(=O)N1CC=C(c2ccnn2C)CC1)n1cncn1 329337000 YEQDGMOWEXNWIO-LLVKDONJSA-N 286.339 0.889 0 50 CCAA CCOCCS(=O)(=O)N1C[C@H](COC)OC(C)(C)C1 330526110 VXGDRQQNHDYXOQ-LLVKDONJSA-N 295.401 0.479 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(CCc2ccc3c(c2)CCO3)C1 284736487 UGGDQIODIVKLOF-KBPBESRZSA-N 290.363 0.739 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)CN2CCc3ccccc32)C1 261858449 PNPPDBYQCWXODQ-GFCCVEGCSA-N 274.320 0.982 0 50 CCAA Cc1ccc(C(=O)N2CCNCC2)cc1S(C)(=O)=O 237854091 RQQQXHGRPNSNAO-UHFFFAOYSA-N 282.365 0.444 0 50 CCAA COC[C@@H]1CN(c2nccn(C)c2=O)CC(C)(C)O1 285183571 VRDJHOJSXIJQRW-JTQLQIEISA-N 267.329 0.411 0 50 CCAA COc1cccnc1C(=O)N1CCc2c(nc[nH]c2=O)C1 72169270 RRXAJZNMYGEHMM-UHFFFAOYSA-N 286.291 0.372 0 50 CCAA C[C@@H]1Oc2c(cccc2C(=O)NC[C@@H](C)C(=O)O)NC1=O 262540563 RIEFJSAQGWSNPH-SFYZADRCSA-N 292.291 0.857 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccncc1 128197371 DGHQZBTYJTXJFN-SNVBAGLBSA-N 250.254 0.397 0 50 CCAA C[C@H]1COCCN(C(=O)c2ccccc2OCC(N)=O)C1 378262508 WPQMVXNBLFDCGQ-LLVKDONJSA-N 292.335 0.659 0 50 CCAA COc1ccc(N2C(=O)N[C@H](CCC(=O)O)C2=O)cc1 36818762 ANUCVHJYNICEAE-SNVBAGLBSA-N 278.264 0.985 0 50 CCAA NC(=O)COc1ccc(/C=C/C(=O)N2CC[C@@H](N)C2)cc1 132210958 SJUXZSRBYSJOMS-MJRJWQSSSA-N 289.335 0.124 0 50 CCAA CN(CC(=O)N[C@@H]1CC[C@@H](N)C1)Cc1ccccn1 71745838 IVKXRXFXKGLJBO-VXGBXAGGSA-N 262.357 0.509 0 50 CCAA Cc1nnc(NC(=O)NC[C@@H]2CCCS2(=O)=O)s1 178582294 YUKDNJICWHDJJA-ZETCQYMHSA-N 290.370 0.545 0 50 CCAA C[C@H]1CN(C(=O)NCCc2cnc[nH]2)CCCO1 426566853 HAJPZLOFARXHMS-JTQLQIEISA-N 252.318 0.773 0 50 CCAA Cc1[nH]nc(C(=O)N[C@H]2CCC(=O)N(C)C2)c1Cl 426648147 PJXVGPMECIPAHP-ZETCQYMHSA-N 270.720 0.722 0 50 CCAA Cc1cc2[nH]c(CN3CCSCC3)cc(=O)n2n1 334159607 MPIILOHXFWOTJJ-UHFFFAOYSA-N 264.354 0.880 0 50 CCAA COCc1nc(Cn2ncn3cccc3c2=O)no1 95375571 CQJMDTONYIEORK-UHFFFAOYSA-N 261.241 0.074 0 50 CCAA Cn1cncc1C(=O)NCCc1nc(C(=O)O)cs1 236075999 NQVMVQREUYVNMY-UHFFFAOYSA-N 280.309 0.547 0 50 CCAA Cc1nn(C)c2nc(N3C[C@H](O)[C@@H](N(C)C)C3)sc12 96167167 FRCYBSPBMQHFGY-IUCAKERBSA-N 281.385 0.449 0 50 CCAA Cc1nn(C)c2nc(N(CCO)CCO)sc12 95527351 UGZPRLQCCJSDEK-UHFFFAOYSA-N 256.331 0.129 0 50 CCAA CC(C)CN1C[C@@H](C(=O)NCC2CCN(C)CC2)CC1=O 523377793 ZTSCQAISQUIAOJ-AWEZNQCLSA-N 295.427 0.949 0 50 CCAA COCC(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 240517145 NVMCDQPNYBUOSG-GBIKHYSHSA-N 250.298 0.656 0 50 CCAA COCCN1C[C@H](Cc2cnc(N)cn2)CC1=O 244723682 MFMQZEWXIOQURA-SECBINFHSA-N 250.302 0.096 0 50 CCAA O=C(CN1CC(=O)NC1=O)NCCCOC1CCCC1 348850256 QQMAYKLYCVKALW-UHFFFAOYSA-N 283.328 0.004 0 50 CCAA CCCn1ccnc1CNC(=O)C[C@H]1CN(C)CCN1C 252482038 CXARAZXIBCXYBQ-ZDUSSCGKSA-N 293.415 0.545 0 50 CCAA Cc1cc(C(F)(F)F)nc(CNC(=O)[C@H]2C=CCN2)n1 534585441 KNTORCSTQXOAOV-MRVPVSSYSA-N 286.257 0.948 0 50 CCAA Cn1ncnc1CCNC(=O)N1CCC(F)(F)CC1 534637097 ILTGIVOUTMSHKM-UHFFFAOYSA-N 273.287 0.798 0 50 CCAA COc1cccc(C)c1NC(=O)NC[C@]1(O)CCNC1 299782236 FVWWMVGCVCZOCO-AWEZNQCLSA-N 279.340 0.850 0 50 CCAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cc[nH]n1 299775865 LHYXZXXFIVPEDE-UHFFFAOYSA-N 291.355 0.820 0 50 CCAA Cc1n[nH]nc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 299772619 AMDRVDMWCCDCEJ-LBPRGKRZSA-N 293.371 0.486 0 50 CCAA CO[C@H]1CN(C(C)C)C[C@@H]1NS(=O)(=O)c1cccnc1 824504713 GUCUNTXPIVBEEB-STQMWFEESA-N 299.396 0.468 0 50 CCAA CCS(=O)(=O)NC[C@@H](C)NCc1cc(C2CC2)n[nH]1 584891734 NEKAVKRJOCMGJN-SECBINFHSA-N 286.401 0.705 0 50 CCAA COc1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)ccn1 824851811 JGCHRVQIKFZGKN-GHMZBOCLSA-N 275.308 0.640 0 50 CCAA O=C1NCC2(CCN(C(=O)C[C@@H]3CCOC3)CC2)O1 670469096 AVQOGYVHBQCOQB-JTQLQIEISA-N 268.313 0.514 0 50 CCAA CCc1n[nH]c(=NC2CCN(C(=O)C3CC3)CC2)o1 1875275428 RQYIPOFRRQYBFN-UHFFFAOYSA-N 264.329 0.867 0 50 CCAA O=C([C@@H]1C[C@@H]2CC[C@H]1O2)N1C[C@H]2CCO[C@@]2(C(=O)O)C1 1875302582 XBPZXNMIWNCSAU-UKRLYRRISA-N 281.308 0.256 0 50 CCAA CC1=C(C(=O)NCC[C@@H]2CCCN2C)OCCO1 952976454 NNMUVHMDJHUJSL-NSHDSACASA-N 254.330 0.865 0 50 CCAA Cc1nn(CCO)c(C)c1CNC[C@@]1(C)CCN(C)C1 952978880 UBXRQEHFLVFHGN-OAHLLOKOSA-N 280.416 0.924 0 50 CCAA CCCc1noc(CN(C)C(=O)c2cnn[nH]2)n1 1506418399 RHEMIQSMBJMLHO-UHFFFAOYSA-N 250.262 0.412 0 50 CCAA Cc1nc(SCCNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)n[nH]1 1565525540 HIOZILOGYZMEOF-BDAKNGLRSA-N 298.368 0.822 0 50 CCAA CC(C)[C@H](CO)ONC(=O)[C@H]1CCCn2ncnc21 1468342958 HIYOMZFIGQTUEZ-UWVGGRQHSA-N 268.317 0.220 0 50 CCAA CC1(C)COC(=O)[C@H]1NC(=O)Nc1ccc(C2CC2)nn1 583650755 AHTONGPYWFWNFF-LLVKDONJSA-N 290.323 1.427 0 50 CCAA CN(C[C@@H](O)C(F)(F)F)C1(CO)CCOCC1 170612026 RGAPXZSVHQJUTL-MRVPVSSYSA-N 257.252 0.383 0 50 CCAA Cc1cc(C)n(CC(=O)NCCN2CC=CCC2)n1 280337216 VUIYLPHXWSUDHR-UHFFFAOYSA-N 262.357 0.878 0 50 CCAA C[C@]1(O)CCCN(C(=O)c2cnc3[nH]nnc3c2)C1 408204700 VWXSTULFAVCHDT-LBPRGKRZSA-N 261.285 0.340 0 50 CCAA O=C1CCCC[C@H](C(=O)NCCc2cncc(O)c2)N1 408522635 KXLFHDLJEJUNMP-GFCCVEGCSA-N 277.324 0.505 0 50 CCAA CCn1cc(C(=O)Nc2cnn(CC(=O)O)c2)cn1 647744437 DFLAKCOJYWHHOE-UHFFFAOYSA-N 263.257 0.436 0 50 CCAA C[C@](N)(C(=O)NCC[C@@H]1CCNC1)c1ccccc1 195232197 GLEVBQAHLJRXKB-SWLSCSKDSA-N 261.369 0.976 0 50 CCAA CN(C)CCn1ccc(C(=O)Nc2cccnc2O)n1 654655769 WFJLVWIKGWVULZ-UHFFFAOYSA-N 275.312 0.798 0 50 CCAA CO[C@H](C)c1nnc(NC(=O)CCNC(C)=O)s1 1506406797 JHOSVYBWTHYRCD-ZCFIWIBFSA-N 272.330 0.710 0 50 CCAA Cc1cc(C[C@@H]2CN(c3nccc(N)n3)C[C@H]2O)on1 1704329258 PGPZFKTYCXMVMP-MWLCHTKSSA-N 275.312 0.395 0 50 CCAA CC(C)N1CC(NC(=O)CNC(=O)c2cscn2)C1 1615002787 SCLDXSJJIFKQCW-UHFFFAOYSA-N 282.369 0.082 0 50 CCAA Cc1ccnc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)n1 1704300866 YQIQDZSQYQMUEF-DGCLKSJQSA-N 271.324 0.615 0 50 CCAA Cn1ncc(Cl)c1S(=O)(=O)N[C@]1(C)CCOC1 408382930 FQFXQNLHMZYENG-SECBINFHSA-N 279.749 0.531 0 50 CCAA CS(=O)(=O)CCC(=O)N1CCC[C@@]2(CCOC2)C1 616092957 NZFKQQRLVOYAPJ-GFCCVEGCSA-N 275.370 0.450 0 50 CCAA CCc1ncnc(N2CC(=O)N(C)[C@@H](C)C2)c1F 242191265 XEDZYBPHEZBQIS-QMMMGPOBSA-N 252.293 0.845 0 50 CCAA CSc1cncc(N2CCN(CCCO)CC2)n1 131988323 YBBFALIBHDSXIH-UHFFFAOYSA-N 268.386 0.703 0 50 CCAA CC(C)N1C[C@@H](CN2CCO[C@]3(CCNC3)C2)CCC1=O 1775982052 PMSCFQJHXTUPKV-ZBFHGGJFSA-N 295.427 0.698 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccncc1F)C2 1857738086 QTNCWACRIMTGBU-QWRGUYRKSA-N 279.315 0.623 0 50 CCAA COc1cccc2c1N(CC(=O)NCC(=O)O)CCC2 262284066 XFPXDZCUFNWEPY-UHFFFAOYSA-N 278.308 0.649 0 50 CCAA COC[C@H]1CN(c2ccnc(C(N)=O)c2)CC(C)(C)O1 583616703 FAGQAJXMYWOSDK-LLVKDONJSA-N 279.340 0.811 0 50 CCAA O=C(N[C@H]1CCc2ncnn2C1)[C@H]1C[C@H]2C=C[C@H]1C2 264787396 ATQNHHQOEHJQEQ-BJDJZHNGSA-N 258.325 0.921 0 50 CCAA CN(C)C(=O)[C@H]1CCCN1C(=O)c1nccn2ccnc12 266825890 LMZPFKGZIVHROK-SNVBAGLBSA-N 287.323 0.422 0 50 CCAA O=C(c1ccc(CO)o1)N1CCC[C@H]1C1(O)CC1 1772815498 MUVIPZIETFYDQL-NSHDSACASA-N 251.282 0.901 0 50 CCAA O=C([C@H]1CCCCO1)N1CCN(Cc2cn[nH]c2)CC1 823029359 DXUAFSSWZMXUGR-CYBMUJFWSA-N 278.356 0.623 0 50 CCAA Cn1c(CO)nc2cc(C(=O)N3CC=C[C@@H]3CO)ccc21 1120774498 RAYSIJSLPVCPAB-LLVKDONJSA-N 287.319 0.439 0 50 CCAA O=C(COC1CCNCC1)N1CCO[C@H]2CCCC[C@@H]21 111796393 SGZTWRNAUWVAMP-KBPBESRZSA-N 282.384 0.925 0 50 CCAA C[C@H]1CNCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 126306466 PTQMUNLVHZBCSW-DTWKUNHWSA-N 293.289 0.218 0 50 CCAA O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1CC12CCNCC2 253124734 KUEQXGSJOXZKAO-IJLUTSLNSA-N 252.358 0.796 0 50 CCAA COc1cccc(CN2CCC[C@@](O)(C(N)=O)C2)c1 284882886 QQZIRPKPNPCCLU-AWEZNQCLSA-N 264.325 0.507 0 50 CCAA OC[C@@]1(F)CCCN(Cc2nnc3n2CCCC3)C1 367900841 GJGWJNQZYRBHIJ-CYBMUJFWSA-N 268.336 0.911 0 50 CCAA CN(C)c1noc(C2CN(C(=O)Cc3cncs3)C2)n1 2325810684 XPXIPESZUFIYAF-UHFFFAOYSA-N 293.352 0.761 0 50 CCAA COC(=O)CN1CC(=O)N(c2ccccc2)C1=S 462310 FMPMAMXQGGJXEL-UHFFFAOYSA-N 264.306 0.793 0 50 CCAA N=c1cc(-c2ccc(CCN)cc2)nc(N2CCOCC2)[nH]1 2356151311 CKZMOZODGKEVBW-UHFFFAOYSA-N 299.378 0.894 0 50 CCAA COCCN1Cc2nnc(-c3ccccn3)n2[C@@H](C)C1=O 2356158608 RAHOYVUEYRFVLZ-JTQLQIEISA-N 287.323 0.890 0 50 CCAA NC(=O)C1CCN(CC(=O)Nc2ccc(F)cc2)CC1 6221702 ZEYNFSWCHFPZHH-UHFFFAOYSA-N 279.315 0.962 0 50 CCAA C[C@@H]1C[C@H](N2CCN(C[C@@H](O)C(C)(C)C)CC2)C(=O)O1 229458426 FQAKGBKNALVEGV-FRRDWIJNSA-N 284.400 0.715 0 50 CCAA CCOC[C@@H](O)CN1CCC[C@@H](c2ccn[nH]2)C1 229674963 DZIBZSDWOXKWTI-NEPJUHHUSA-N 253.346 0.987 0 50 CCAA CCn1c(C2CCN(C[C@@H]3CCOC3)CC2)nn(C)c1=O 67983424 QMYCIXLYFTZVTD-LBPRGKRZSA-N 294.399 0.818 0 50 CCAA CCN(CC(=O)O)C1CC(NC(=O)c2cc(C)on2)C1 328633826 MIBVWOWKHLZYQI-UHFFFAOYSA-N 281.312 0.650 0 50 CCAA CCOCCOCC(=O)N1C[C@H](C(=O)OC)[C@@H](C2CC2)C1 253419279 GFJAQEQLQRQBMG-OLZOCXBDSA-N 299.367 0.697 0 50 CCAA CN(Cc1nccn1C(F)F)[C@]1(CO)CCOC1 330795642 FAIGYEPJBFHSEB-NSHDSACASA-N 261.272 0.861 0 50 CCAA C[C@@H]1OCCC[C@H]1C(=O)NCc1nc(N(C)C)no1 330770429 BHDGJXHVFFOXIK-DTWKUNHWSA-N 268.317 0.567 0 50 CCAA Cc1cc(C)c(C(=O)N2CCO[C@H](C(=O)O)C2)o1 237802621 KRXMLIPIMLQFIN-VIFPVBQESA-N 253.254 0.822 0 50 CCAA CNC(=O)[C@@H]1CCCCN1C(=O)c1cnc2n1CCCC2 371018759 OBYLDWKXKIKRRU-NSHDSACASA-N 290.367 0.960 0 50 CCAA COC[C@H]1CN(C(=O)c2cnn(C)c2)CC(C)(C)O1 285441556 IUMYZPXKGLUMST-LLVKDONJSA-N 267.329 0.686 0 50 CCAA CCN1Cc2nc(OC)c(CN[C@H]3CCOC3)cc2C1=O 71757155 RFRPINWDSJSDID-NSHDSACASA-N 291.351 0.944 0 50 CCAA Cn1cc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)cn1 77386057 KNLNXIXNJSUWTE-LBPRGKRZSA-N 279.340 0.878 0 50 CCAA CCc1nccn1CC(=O)N1C[C@H]2CC[C@@H](C1)N(C)C2 221361639 PAIWYDRHSXOYKD-STQMWFEESA-N 276.384 0.998 0 50 CCAA C=CC(=O)NCCNC(=O)[C@@H]1CC1(Cl)Cl 264713188 FBWCDQHGRXINEV-LURJTMIESA-N 251.113 0.599 0 50 CCAA Cc1cnc(CN(C)C(=O)N[C@H](C)c2nncn2C)[nH]1 426734572 WRNCVBJMEDCFPF-SECBINFHSA-N 277.332 0.749 0 50 CCAA Cc1cnc(CN(C)C(=O)N[C@@H](C)c2nncn2C)[nH]1 426734573 WRNCVBJMEDCFPF-VIFPVBQESA-N 277.332 0.749 0 50 CCAA Cc1cccc([C@@H](NC(=O)CNC(=O)N(C)C)C(=O)O)c1 221269350 RLSARTBAPMALJB-GFCCVEGCSA-N 293.323 0.508 0 50 CCAA COc1ncc(C(=O)N2CCC(n3cnnc3)CC2)cn1 426369164 JBXWSVNPTWPZBS-UHFFFAOYSA-N 288.311 0.554 0 50 CCAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)NCc1ncc[nH]1 426477266 SNKWSFIYMJFNGJ-NSHDSACASA-N 293.371 0.952 0 50 CCAA Cc1nc(CCC(=O)N2C[C@H](C(C)C)[C@@H](N)C2)n[nH]1 91914571 CFTWGLICNGDOGE-MNOVXSKESA-N 265.361 0.487 0 50 CCAA CCN1C[C@@H](C(=O)NCCn2cc(C)cn2)CC1=O 95392023 IWXNFXCKHKXFSB-NSHDSACASA-N 264.329 0.176 0 50 CCAA CCc1ncc(C(=O)N(C)C2CCS(=O)(=O)CC2)cn1 95391720 ZPJIWALQLNMVPL-UHFFFAOYSA-N 297.380 0.688 0 50 CCAA C[C@H](Cc1cnccn1)N(C)CC(=O)N1CCOCC1 244874180 WWCFLDPVHJLRBT-GFCCVEGCSA-N 278.356 0.198 0 50 CCAA CC[C@H](C)[C@@H](CO)NC(=O)C1(n2cnnn2)CCCCC1 252494707 OCIXMZNNDUMQOZ-NWDGAFQWSA-N 295.387 0.856 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)CN1Cc2ccccc2C1 534653040 OYAQSKPVRMDQJO-KBPBESRZSA-N 276.336 0.532 0 50 CCAA CN1CCC(O)(Cn2cnc3cccnc3c2=O)CC1 584890331 YQJNHYQRGNKCDY-UHFFFAOYSA-N 274.324 0.248 0 50 CCAA Cn1ncn(CC(=O)NCCC2=CCCCC2)c1=O 271184953 ZCZJRYKXQRTLRM-UHFFFAOYSA-N 264.329 0.589 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1ccc2[nH]cnc2c1 169978813 MAQXSPJCXWSFFK-UHFFFAOYSA-N 262.118 0.817 0 50 CCAA O=C(NC[C@@H]1CCOC1=O)c1cc(O)nc(C2CC2)n1 1875332749 INTSHYUZJOFJFN-QMMMGPOBSA-N 277.280 0.353 0 50 CCAA O=C(Nc1nccs1)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O 1875317798 FIUGPTQCKBIUOH-OJOKCITNSA-N 269.326 0.349 0 50 CCAA O=C1COc2cc(N=c3ccc4nnnn4[nH]3)ccc2N1 1875337398 UBHDVDXSDYCGKA-UHFFFAOYSA-N 283.251 0.016 0 50 CCAA COCc1noc([C@@H]2C[C@@H]2C(=O)N2CCCC2)n1 1875306813 PUNVAEMQTGWSNO-BDAKNGLRSA-N 251.286 0.942 0 50 CCAA Cc1cc(C(=O)NCC2CCN(CCC(=O)O)CC2)no1 952977750 YMIDNGMPYOXBAB-UHFFFAOYSA-N 295.339 0.900 0 50 CCAA Nc1ccn2ncc(C(=O)NC[C@@H]3CNCCCO3)c2c1 1775962553 RSSWKZBQCKEDMT-NSHDSACASA-N 289.339 0.025 0 50 CCAA COC[C@H]1[C@@H](NC(=O)c2cnc(OC)nc2)[C@H]2CCO[C@H]21 1565515272 UFIADUQNRFZOPT-NOOOWODRSA-N 293.323 0.265 0 50 CCAA CCOc1cc(N2CCS(=O)(=O)C[C@H](C)C2)ncn1 277384368 GAZVHJUBSWZLDI-SNVBAGLBSA-N 285.369 0.746 0 50 CCAA C[C@@H]1CCCN(C(=O)COC(=O)c2cncnc2N)C1 170595958 ZIRKDWHEOHTTSX-SECBINFHSA-N 278.312 0.474 0 50 CCAA COCCN1CCCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1=O 190874035 BYUZVVXNLDGRRF-CHWSQXEVSA-N 298.383 0.509 0 50 CCAA NC(=O)c1cn([C@H]2CCN(Cc3cccc(F)c3)C2)nn1 643787741 GBXOIVITCPQLMJ-LBPRGKRZSA-N 289.314 0.963 0 50 CCAA NC(=O)c1cn([C@H]2CCN(c3ncccc3F)C2)nn1 643759262 VCJXQRFKIAPCTK-QMMMGPOBSA-N 276.275 0.363 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1nc(C(C)C)no1 643826761 ULUPSCVPJCPWQN-ZDUSSCGKSA-N 282.344 0.659 0 50 CCAA CCOc1cc(N2CCN(C(=O)N(C)C)CC2)nc(C)n1 663386638 QLCKBIVTBLEBEV-UHFFFAOYSA-N 293.371 0.987 0 50 CCAA CC(C)CC(=O)[C@H]1CCCN(C(=O)CNC(N)=O)C1 1506409646 JBBGHUABZZOWGU-JTQLQIEISA-N 269.345 0.509 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N[C@H]1CCCN[C@@H]1C 420427402 KKUAKGYZYVWPMT-ZJUUUORDSA-N 272.374 0.147 0 50 CCAA Cc1cc(COCC(=O)N[C@]23CCC[C@@H]2NCC3)no1 1615545330 GOHVGULLMGXZOG-JSGCOSHPSA-N 279.340 0.900 0 50 CCAA COCCn1ccc(NC(=O)[C@]23CNC[C@H]2CCOC3)n1 1615616275 ZKMFGVKGOZOTEJ-RISCZKNCSA-N 294.355 0.094 0 50 CCAA CCNC(=O)CNc1ncnc2c1NC(=O)CS2 363896499 NCKXVOPSDJDHHP-UHFFFAOYSA-N 267.314 0.069 0 50 CCAA O=C1N[C@H]2C[C@@H]1N(C(=O)Cn1ccc3ccccc31)C2 1857700977 JHDWDYZJKPQJHF-AAEUAGOBSA-N 269.304 0.741 0 50 CCAA CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1 1857723618 NVNAPAFHSUXJRR-CHIMOYNISA-N 292.383 0.345 0 50 CCAA Cn1c(CN2C[C@@H]3CC(=O)N[C@@H]3C2)nc2ccccc21 1857739957 ATRXBBSDJGEFQV-CMPLNLGQSA-N 270.336 0.894 0 50 CCAA CN1C(=O)CC[C@H]1C(=O)NC1Cc2ccccc2C1 335869217 ZZLXVKJEHGHYDI-ZDUSSCGKSA-N 258.321 0.891 0 50 CCAA O=C(O)c1cncc(C(=O)NC[C@@H]2CCCO2)c1 259070142 XGGNDVRYZDOCSU-JTQLQIEISA-N 250.254 0.689 0 50 CCAA Cn1ncc2c1C[C@H](c1nc(-c3cnc[nH]c3=N)no1)CC2 585084185 FLWKIEIFDITMDC-MRVPVSSYSA-N 297.322 0.945 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)N1CCCNCC1 911656851 WRDFQCIGVGBYPX-MRXNPFEDSA-N 289.379 0.617 0 50 CCAA CCn1nc(C)c(C(=O)N(C)Cc2nc(=O)o[nH]2)c1C 823593443 TYCIESONOAZLFD-UHFFFAOYSA-N 279.300 0.468 0 50 CCAA NCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C(=O)O 309891675 DUQXGTQKAFOVKD-VXGBXAGGSA-N 262.309 0.695 0 50 CCAA CCc1ncc(S(=O)(=O)N[C@H]2CCN(CC)C2)[nH]1 389744475 TZGCMMFYYBPECT-VIFPVBQESA-N 272.374 0.345 0 50 CCAA O=C1NC(=O)[C@]2(CCCN(CCc3ccns3)C2)N1 1335968560 UQTGHVCMTDXNRG-GFCCVEGCSA-N 280.353 0.360 0 50 CCAA N=c1nc(C(=O)N2C[C@H]3C(=O)OC[C@H]3C2)c2ccccc2[nH]1 2325804829 UVDFSEIBTYMUDN-PSASIEDQSA-N 298.302 0.287 0 50 CCAA c1ccc2c(c1)nnn2CNc1nonc1-c1ncon1 45612 XAUCCFHSIMMXTN-UHFFFAOYSA-N 284.239 0.934 0 50 CCAA CN(C(=O)CSc1nnn(C)n1)c1ccccc1 114698 SZOURXBLRXBDAR-UHFFFAOYSA-N 263.326 0.965 0 50 CCAA CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 266085 IMIKNCFPHJZMGM-SNVBAGLBSA-N 255.295 0.458 0 50 CCAA COCCN1CCC[C@@]2(CCCN2C(C)=O)C1=O 2356159379 XXXMJDAHRYKEAP-CYBMUJFWSA-N 254.330 0.636 0 50 CCAA O=C1NC(=O)[C@@](Cc2ccccc2F)(C2CCNCC2)N1 67790371 CIWZEYTXDWJMMU-OAHLLOKOSA-N 291.326 0.946 0 50 CCAA Cc1cnn([C@H](C)[C@@H](C)NCC(=O)N2CCO[C@@H](C)C2)c1 229570477 SJFMNERLDTXCBT-BFHYXJOUSA-N 294.399 0.978 0 50 CCAA CCc1nsc(N2CCC[C@@](O)(CN(C)C)C2)n1 521398533 MOJGJQJOKUCZKE-GFCCVEGCSA-N 270.402 0.993 0 50 CCAA NC(=O)[C@@]1(O)CCCN(c2ccncc2Cl)C1 284698538 SJZBSMFJXMUBAN-LLVKDONJSA-N 255.705 0.552 0 50 CCAA Cn1nccc1NC(=O)N1CCN(c2ncccn2)CC1 125207880 CXABDSCMWDTPBT-UHFFFAOYSA-N 287.327 0.564 0 50 CCAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cccc2ccnn12 72167426 AFTLSIWHKOOMEH-SECBINFHSA-N 277.305 0.375 0 50 CCAA NC[C@H]1CCCC[C@H]1NCCN1C[C@@H]2CC[C@H](C1)O2 333306976 RBIREYAPTAQRKH-APIJFGDWSA-N 267.417 0.957 0 50 CCAA CCc1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 77452101 GFOKHUTZSIHRPP-SECBINFHSA-N 269.370 0.910 0 50 CCAA Cc1noc(CN2CCN(C(=O)[C@@H]3CCC[C@H]3N)CC2)n1 237689039 QUFZQXGOCIOBQS-VXGBXAGGSA-N 293.371 0.150 0 50 CCAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccc2c(c1)CCO2 129431804 YVKFIOLLOGTBFR-GFCCVEGCSA-N 291.303 0.937 0 50 CCAA CS(=O)(=O)Nc1cc(N)ccc1N1CCOCC1 216745711 YIHLCNGQVXMQFR-UHFFFAOYSA-N 271.342 0.477 0 50 CCAA C[C@H](C(=O)O)N(C)C(=O)Cn1ncc2ccccc21 263322773 RUMVJWQMRQFZHE-SECBINFHSA-N 261.281 0.968 0 50 CCAA NC[C@H]1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 178542379 OZYCPRPBKKHTBL-SNVBAGLBSA-N 289.314 0.827 0 50 CCAA Cc1cc(C(=O)N[C@@H](CC(=O)O)CC(C)C)nc(N)n1 426444839 BMVKYGZUDPCFEU-SECBINFHSA-N 280.328 0.986 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@H]2CC[C@H](O)CC2)cn1C 426379738 MUAGLLWDNJITAL-XYPYZODXSA-N 264.325 0.727 0 50 CCAA COCCC[C@]1(C(=O)O)CCCN(C(=O)c2ncn[nH]2)C1 91931975 APDRXTAHDVGXBU-CYBMUJFWSA-N 296.327 0.538 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 239439035 ZIXZUJGRFYPACJ-YBRCUDMCSA-N 279.292 0.032 0 50 CCAA biogenic C[C@]1(O)CCN(C(=O)c2cnc3c(c2)CCC3)C[C@@H]1O 96132030 KYRXOACPGZDERW-ZFWWWQNUSA-N 276.336 0.528 0 50 CCAA CN(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 244794858 QVEVUQQCVPOQHP-JTNHKYCSSA-N 263.341 0.571 0 50 CCAA COCC(C)(C)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 345463143 RKSMULDZCZIHRQ-JTQLQIEISA-N 271.361 0.661 0 50 CCAA O=C(CN1CCO[C@]2(CCOC2)C1)NCc1cccnc1 185153632 OGPQCHKSJUNNSP-OAHLLOKOSA-N 291.351 0.189 0 50 CCAA Cc1c[nH]c(CN(C)Cc2nnc([C@H]3C[C@@H](N)C3)n2C)n1 253378405 CNJWMRPVMKWPMQ-PHIMTYICSA-N 289.387 0.683 0 50 CCAA Cc1ccnc([C@H](NC(=O)CNS(C)(=O)=O)C2CC2)c1 534579710 ZDBDJCUDOAAFAK-CYBMUJFWSA-N 297.380 0.507 0 50 CCAA CS(=O)(=O)CCC(=O)NCCCc1csc(N)n1 827819985 WEAWDJDZPYWRJZ-UHFFFAOYSA-N 291.398 0.209 0 50 CCAA O=S(=O)(NCc1n[nH]c2c1CCCCC2)c1cn[nH]c1 828392553 LWXOOURWXFQYDH-UHFFFAOYSA-N 295.368 0.880 0 50 CCAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCN(C)CC1 584887704 YFZSANHZIXHPOL-FICVDOATSA-N 295.427 0.792 0 50 CCAA CCCn1cnnc1CN(C)Cc1cc(O)nc(O)n1 670452607 QLCGYNTXVXPNRW-UHFFFAOYSA-N 278.316 0.521 0 50 CCAA CS(=O)(=O)Nc1ccc([C@H]2C[C@H](N)CCN2)cc1 757208867 DZTFKLTVCIFNKK-ZYHUDNBSSA-N 269.370 0.810 0 50 CCAA COC[C@H](NC(=O)C1CCC(C(=O)O)CC1)C(=O)O 1875354720 MVBFXMJEBVTBTE-HACHORDNSA-N 273.285 0.093 0 50 CCAA CC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(N)cc1)C2 1875313805 VRKMDEPRIHHUCB-UHFFFAOYSA-N 295.364 0.122 0 50 CCAA COCC(=O)N1CCC[C@@H](CNC(=O)C2CCC2)C1 952966522 JEKJXATUUQOBRZ-NSHDSACASA-N 268.357 0.788 0 50 CCAA CCc1ccccc1-n1cc(C(=O)NOC[C@@H](C)O)nn1 1775999988 MUKTWJOBZBMTDH-SNVBAGLBSA-N 290.323 0.872 0 50 CCAA CC(C)CN1C(=O)CC[C@@H]2CN(C(CO)CO)CC[C@@H]21 1565515726 OPERRYYTSABGOA-OCCSQVGLSA-N 284.400 0.309 0 50 CCAA CCC[C@@]1(c2ccccc2)NC(=O)N(C[C@@H](O)CO)C1=O 1325201535 TYRKTHUFDIWFDG-DOMZBBRYSA-N 292.335 0.587 0 50 CCAA CNCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C 168675092 BFMDYLIUIZTUAP-CYBMUJFWSA-N 261.369 0.939 0 50 CCAA COc1coc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)cc1=O 407954527 DVSPFGNYZADCDO-UWVGGRQHSA-N 280.324 0.813 0 50 CCAA Cn1cc(CCCN2C[C@@H](C(=O)O)CC2=O)cn1 65405099 GJJXJVARNMCKCC-JTQLQIEISA-N 251.286 0.286 0 50 CCAA CCn1ncc(C)c1NC(=O)CNC(=O)C(C)C 1529168629 IWEOPPNBTKWDAB-UHFFFAOYSA-N 252.318 0.922 0 50 CCAA COc1cccc(OC)c1[C@@H](C(=O)O)N(C)CC(N)=O 1529151458 CAPBRLNGUXRUBA-LBPRGKRZSA-N 282.296 0.247 0 50 CCAA CO[C@@H]1CCNC[C@@H]1NC(=O)c1n[nH]c(C)c1Cl 1857690646 IWZXPFNVCWDMSP-JGVFFNPUSA-N 272.736 0.478 0 50 CCAA CC(C)COC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 585080819 WQOJLPSMIFDPJI-NSHDSACASA-N 270.329 0.758 0 50 CCAA Cc1nnc2n1C[C@H](CNC(=O)c1n[nH]c3c1CCC3)C2 1772704898 ISMJGPFDPLALAV-VIFPVBQESA-N 286.339 0.401 0 50 CCAA COc1cc(N2CCC([C@H](O)CO)CC2)nc(OC)n1 1772703531 NXZJYLAJDCZTNM-SNVBAGLBSA-N 283.328 0.063 0 50 CCAA CN1CCN(C(=O)c2csc(N)n2)CC12CCOCC2 1775983069 RLEZDWVMYFSGOR-UHFFFAOYSA-N 296.396 0.662 0 50 CCAA Cn1[nH]nnc1=NC(=O)c1ccn(CCC(F)(F)F)n1 1646642402 QASXAVWYLNOQCX-UHFFFAOYSA-N 289.221 0.033 0 50 CCAA CCCO[C@@H]1CC[C@H](C(=O)NCc2ncc[nH]2)C[C@H]1N 1857729103 VVOFVZYNBQWXGJ-QJPTWQEYSA-N 280.372 0.949 0 50 CCAA CN1CC2(C1)CN(C(=O)c1ccc(Cn3cnnn3)cc1)C2 1857667637 HGWBUHVRUBXHGP-UHFFFAOYSA-N 298.350 0.109 0 50 CCAA Cn1[nH]c(CN2CC[C@@H](n3cc(Cl)cn3)C2)nc1=O 329806709 BDJHWZVQJBDFKC-SECBINFHSA-N 282.735 0.405 0 50 CCAA NC(=O)C[C@]1(O)CCCN(Cc2ccncc2Cl)C1 643805500 LPIKUZUAYHQUGU-CYBMUJFWSA-N 283.759 0.937 0 50 CCAA CC[C@H](N)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 236912358 UFVOFQIGEOBOJB-KFWWJZLASA-N 291.395 0.475 0 50 CCAA CO[C@@H]1CN(C(=O)c2ccc(F)cc2O)C[C@H]1O 395366263 LHGMDJGGNRSRGN-GHMZBOCLSA-N 255.245 0.363 0 50 CCAA C=CC(=O)NCCNC(=O)[C@H]1CCCO[C@H]1C(C)C 819258618 BQYZXTPHUBLPAO-AAEUAGOBSA-N 268.357 0.856 0 50 CCAA O=c1c2ccccc2nnn1C[C@@H](O)C(F)(F)F 109707080 KAWAQNGZNFEWNL-MRVPVSSYSA-N 259.187 0.715 0 50 CCAA Cc1nc(CN2CCS(=O)(=O)[C@@H](C)C2)oc1C 155566635 NVPKHXQPTAGFLX-QMMMGPOBSA-N 258.343 0.910 0 50 CCAA Cc1ncc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2C)s1 262740044 BUBWPENVCVNITF-IONNQARKSA-N 275.399 0.728 0 50 CCAA COCC[C@H]1CN(CCN2CCCC2=O)CCO1 670433969 AZVUXTIKFLTYBS-LBPRGKRZSA-N 256.346 0.346 0 50 CCAA CCCCS(=O)(=O)N1CCC(O)(CN(C)C)CC1 710593976 DHDYDSZCGRSGBQ-UHFFFAOYSA-N 278.418 0.505 0 50 CCAA Cc1nc(CCNC(=O)c2ccc(F)cc2N)n[nH]1 392362804 XKAZRGBFQDIHSB-UHFFFAOYSA-N 263.276 0.807 0 50 CCAA Cc1nnc2c(N3CCNCC3)nc3ccccc3n12 4709830 UJIKSEMRSLLLKA-UHFFFAOYSA-N 268.324 0.996 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@@]2(CC(=O)NCCN2)C1 2325712088 HTAAKOIJEXEHOS-CQSZACIVSA-N 283.372 0.866 0 50 CCAA CNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 470752 DREYYNGKODUWNI-UHFFFAOYSA-N 260.290 0.338 0 50 CCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCOC)C1 3007880 CBYOHKKIBSUBRI-LLVKDONJSA-N 292.401 0.201 0 50 CCAA CC[C@H](C)NC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 4185189 MGYIPNGCRNEGHP-WDEREUQCSA-N 292.335 0.857 0 50 CCAA Cc1ccsc1CN(CCN(C)C)C(=O)CN 55211452 ULVLLASEDXVOMO-UHFFFAOYSA-N 255.387 0.905 0 50 CCAA C=CC(=O)NCc1cnc(N2CCOCC2)c(F)c1 863971374 QWRSQUVVLZZZGE-UHFFFAOYSA-N 265.288 0.860 0 50 CCAA O=C(O)[C@H]1CC(=O)N(Cc2ccccc2-n2cncn2)C1 65491616 IQMGYSKDRBFRJG-NSHDSACASA-N 286.291 0.700 0 50 CCAA Cc1noc(C)c1CC(=O)N1[C@H]2CC[C@@H]1CC(=O)NC2 65453953 LRIBZWPPZNQBCC-MNOVXSKESA-N 277.324 0.713 0 50 CCAA CCCCn1nnnc1NC(=O)NCCN1CCOC1=O 23251395 BEIXAOFPPCETBU-UHFFFAOYSA-N 297.319 0.047 0 50 CCAA C[C@H]1CN(S(=O)(=O)[C@H]2CCO[C@H](C)C2)CCO1 408190995 BZILMHGUALMEHE-VWYCJHECSA-N 263.359 0.604 0 50 CCAA CN1CCO[C@H](CN(CC(=N)O)C(=O)[C@H]2C[C@H]2C2CC2)C1 328626267 DZANNEDMUJNOBW-AVGNSLFASA-N 295.383 0.727 0 50 CCAA CC(C)OC[C@H]1CN(Cc2nnnn2C(C)C)CCO1 366733973 JDFMYDZGBVOZAD-GFCCVEGCSA-N 283.376 0.880 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1cc(C(N)=O)cs1 124490546 KFTYKANJGDMHPL-SSDOTTSWSA-N 253.327 0.281 0 50 CCAA CCN1CCOC[C@H]1C(=O)NCCc1ccco1 330661127 OJXFICMNJNUPGU-LBPRGKRZSA-N 252.314 0.659 0 50 CCAA O=C(C(=O)N1CCC[C@]2(CCNC2)C1)N1CCC=C(F)C1 335380641 VGZNESCUVMHGOM-OAHLLOKOSA-N 295.358 0.674 0 50 CCAA CCC(=O)NCCNc1cc(-n2ccc(C)n2)ncn1 72438061 USABUBJNVCXKEI-UHFFFAOYSA-N 274.328 0.909 0 50 CCAA O=C1Cc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3CO)cc2N1 335334491 LVSLLPWKPASKKW-RYUDHWBXSA-N 292.310 0.655 0 50 CCAA CNS(=O)(=O)[C@@H]1CCN(C(=O)/C=C/c2ccco2)C1 363500400 QVPAQTMCCOVWFJ-SGUJLRQBSA-N 284.337 0.443 0 50 CCAA O=C(C[C@H](O)Cc1ccccc1)N1C[C@@H](F)C[C@@H]1CO 487372466 XMJKZGVJGSTCIY-BFHYXJOUSA-N 281.327 0.911 0 50 CCAA COCCn1ccnc1CN1CC[C@H](N(C)C)C1 214986996 NNOWOUOZWMNOFW-LBPRGKRZSA-N 252.362 0.665 0 50 CCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cn[nH]n2)on1 72148511 CLIDKCQJHNEGDW-KCJUWKMLSA-N 277.284 0.089 0 50 CCAA CCC(=O)N1CCN(C(=O)CC[C@H]2CCC(=O)N2)C1 333364886 DOSZAJSDRGCZGX-SNVBAGLBSA-N 267.329 0.084 0 50 CCAA CCN(Cc1noc(C2CCC2)n1)C(=O)[C@@H]1CNCCO1 72171324 XMWFGZDOVPBAPM-NSHDSACASA-N 294.355 0.674 0 50 CCAA O=C(O)[C@H]1C[C@H]1C(=O)NCCOc1ccc2c(c1)OCO2 262635039 OYPZYAZGODRKLI-ZJUUUORDSA-N 293.275 0.631 0 50 CCAA OCc1ccc2c(c1)CN(C[C@]1(O)CCNC1)CCO2 77386161 UAOMRSSRNRRQTN-HNNXBMFYSA-N 278.352 0.098 0 50 CCAA CO[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)=O 341628038 OAQPAVMCOMEEJR-RWMBFGLXSA-N 268.357 0.929 0 50 CCAA O=C(O)CCC(=O)N[C@@H]1COCC[C@@H]1OCC1CCC1 219672551 VLHRLZCQUOKJCC-NEPJUHHUSA-N 285.340 0.942 0 50 CCAA CNc1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 77485012 PRKBVZRMXPPCET-MRVPVSSYSA-N 270.358 0.389 0 50 CCAA CNC(=O)C1(C(=O)N2C[C@@H](COC)OC(C)(C)C2)CC1 343742816 ZWRKDOUEBNTKCH-JTQLQIEISA-N 284.356 0.165 0 50 CCAA CC(C)c1nccc(CN2CCOC[C@@H](O)C2)n1 77454713 XMFINGVGDOGNJJ-LBPRGKRZSA-N 251.330 0.793 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(C)n1 220188199 WAZIZXBJGWKECO-ZYHUDNBSSA-N 250.298 0.924 0 50 CCAA CCNS(=O)(=O)N1CCS[C@@H]2COCC[C@@H]21 178455228 AZYTWEFFYXVAOR-DTWKUNHWSA-N 266.388 0.047 0 50 CCAA CC(=O)N1CCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 426618396 TYWOPPXEOPRQQJ-NSHDSACASA-N 291.355 0.231 0 50 CCAA CSCCc1nc(C)nn1[C@H]1CCS(=O)(=O)C1 95513083 HDYWSDKDPWXWRN-VIFPVBQESA-N 275.399 0.852 0 50 CCAA O=C(NCc1cc(O)ncn1)c1nc2ccccc2[nH]1 426530503 RRBHIEDKXNHJNF-UHFFFAOYSA-N 269.264 0.989 0 50 CCAA Cc1ccc(N2CC[C@@H](C(=O)N(C)CC(=O)O)C2=O)cc1 237151429 VARLSLYNUTVHDT-LBPRGKRZSA-N 290.319 0.891 0 50 CCAA CCO[C@H](C)C(=O)NCc1ccc(C(=O)NC)o1 426574844 VVTJTOVBSGEQJH-MRVPVSSYSA-N 254.286 0.680 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)[C@@H]1CCOC(C)(C)C1 426674340 WGJNMIVWCLGHMT-LLVKDONJSA-N 286.372 0.666 0 50 CCAA O=C(C[C@@H]1CCCOC1)NCCSc1nc[nH]n1 426470566 JBXNNVKOHUSZML-VIFPVBQESA-N 270.358 0.830 0 50 CCAA Cc1noc(C)c1CCNC(=O)[C@@H]1C[C@@H]1C(=O)O 268876428 BJKCWSDKVLRIJY-ZJUUUORDSA-N 252.270 0.671 0 50 CCAA CN(C)C[C@@H]1CN(C(=O)Cc2cccc(O)c2)C[C@@H]1CO 92045546 KMWOBJMRBFHAFT-ZIAGYGMSSA-N 292.379 0.563 0 50 CCAA NC[C@@H](C(=O)NCc1ccccc1CO)C1CCOCC1 864739044 MKDUXHCGWSMGID-OAHLLOKOSA-N 292.379 0.797 0 50 CCAA COCCNC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 244633085 FWHASSWEJGVSCO-DLOVCJGASA-N 282.344 0.178 0 50 CCAA CC(C)(O)CC(=O)N1CCC[C@H]1Cn1ccnn1 299742104 GWSVXALZNAAHAV-JTQLQIEISA-N 252.318 0.430 0 50 CCAA Cc1cc(CNC(=O)N2CCS(=O)(=O)CC2)ccn1 534581173 XWEMFCKVBSEPQD-UHFFFAOYSA-N 283.353 0.330 0 50 CCAA C[C@@H]1c2cccn2CCN1C(=O)CS(C)(=O)=O 299063469 AFTNBIVSPAAAEE-SECBINFHSA-N 256.327 0.436 0 50 CCAA CN(CCc1cn[nH]c1)c1cc([C@H]2CCOC2)nc(N)n1 299762626 OMLDNJSGXDBGBR-NSHDSACASA-N 288.355 0.965 0 50 CCAA O=C(O[C@@H]1C[C@@H]2C(=O)NCc3cccnc3N2C1)C1CC1 870523606 KYGRKMVZGBDMQP-VXGBXAGGSA-N 287.319 0.612 0 50 CCAA CN=c1nc(C(=O)NC[C@H](C)c2ncc[nH]2)cc(C)[nH]1 1875296239 LSFMHDGVXZCTDK-QMMMGPOBSA-N 274.328 0.505 0 50 CCAA Cc1nn(C)cc1C[C@@H](NC(=O)c1ccsn1)C(=O)O 1875393238 BKLXVPCSXMYWAT-SNVBAGLBSA-N 294.336 0.611 0 50 CCAA N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCC(=O)NCC(F)(F)F 246242260 IVQXWCLQUYQVMS-MFDQJXRNSA-N 293.289 0.155 0 50 CCAA CCOC(=O)N1CCc2nnc(C(=O)OC)cc2C1 1775953975 YORULDFLWOGFQW-UHFFFAOYSA-N 265.269 0.778 0 50 CCAA CO[C@@H]1C[C@@H](Cn2ccc(N)n2)N(Cc2ccnn2C)C1 1775960639 XLRLRZXOKHJOMW-QWHCGFSZSA-N 290.371 0.488 0 50 CCAA O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CCOC[C@@H]1O 1565510947 JFNMXFCFFWMVKJ-RYUDHWBXSA-N 293.319 0.614 0 50 CCAA C[C@]1(O)CCN(C(=O)Cc2cncs2)C[C@H]1O 1565509944 ZJYNPLYFYYPNFV-KOLCDFICSA-N 256.327 0.030 0 50 CCAA Cc1nonc1CC(=O)NC1CC(NCC(F)(F)F)C1 1364383498 NQLRENIVJZKPMR-UHFFFAOYSA-N 292.261 0.720 0 50 CCAA COC[C@@H](O)CN(C)C(=O)c1ccc(-c2ncn[nH]2)cc1 186006426 WJSRNSOMPXKAKV-LBPRGKRZSA-N 290.323 0.551 0 50 CCAA O=C([C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)N1CCCC1 275273899 KFOSETBPWJLLKE-NEPJUHHUSA-N 275.308 0.580 0 50 CCAA CN(C(=O)CCCc1nn[nH]n1)c1nccs1 635543589 TZZDTDSCSURNKG-UHFFFAOYSA-N 252.303 0.642 0 50 CCAA Cc1cccc(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)n1 408240326 LQKVQADLJNKWAI-VIFPVBQESA-N 284.341 0.285 0 50 CCAA COC[C@H]1CCN(C(=O)NCc2nc(N(C)C)n[nH]2)C1 637786370 WSDDWQKHFOSTCR-VIFPVBQESA-N 282.348 0.049 0 50 CCAA CNC(=O)Cn1cc(NC(=O)[C@H]2CCCO[C@H]2C)cn1 189017317 VGVHXPFNQTWXIB-ONGXEEELSA-N 280.328 0.383 0 50 CCAA C[C@@]1(C(=O)Nc2ccn(CC(=O)O)n2)CC1(F)F 656247978 YKKQPJFFTDXGGY-VIFPVBQESA-N 259.212 0.952 0 50 CCAA O=C(NC[C@H]1CCO[C@H]1C(=O)O)c1cscn1 715134999 BHAAMUXMLCPQMI-HTRCEHHLSA-N 256.283 0.363 0 50 CCAA O=C(CCc1ccon1)N1CCC[C@@H]1CN1CCOCC1 669275455 UMEQJWRVXPJOOO-CQSZACIVSA-N 293.367 0.930 0 50 CCAA CO[C@@H](C)[C@H](C)NC(=O)c1ccc2c(c1)B(O)OC2 584978861 FBENNOQTRYOJOT-IUCAKERBSA-N 263.102 0.058 0 50 CCAA C=CC(=O)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 585122700 IRBHNVZWDTZWBD-LLVKDONJSA-N 285.303 0.883 0 50 CCAA CCc1csc(CNC(=O)N[C@@H](C)C(=O)O)n1 952986439 HVYUJOFOCBBQHG-LURJTMIESA-N 257.315 0.978 0 50 CCAA O=C1NC[C@H](C(=O)N2CCC3(CCCCO3)CC2)N1 1857688089 SWWXSYYEZDSTMA-SNVBAGLBSA-N 267.329 0.230 0 50 CCAA Cc1ccncc1C(=O)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704312838 CIXRPPUYCCCEDA-OKILXGFUSA-N 290.275 0.392 0 50 CCAA CCc1nsc(N2CCN(C[C@H]3CCOC3=O)CC2)n1 1615002012 VAHWQURSCPTYJJ-SNVBAGLBSA-N 296.396 0.786 0 50 CCAA CN1CCn2nc(C(=O)NCc3ccncc3)cc2C1=O 1857671943 YYADCROWIXHWKX-UHFFFAOYSA-N 285.307 0.294 0 50 CCAA C[C@H](OCC1CC1)C(=O)Nc1ccn([C@H]2CCNC2)n1 328624012 JPCMLIVPEDLTDN-JQWIXIFHSA-N 278.356 1.171 0 50 CCAA COC[C@@H](C)S(=O)(=O)NC[C@H]1CCn2ccnc2C1 328627114 MJUFTAWBVWALHL-MNOVXSKESA-N 287.385 0.400 0 50 CCAA CCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O 190860 WRXAJPFNDNCOAO-UHFFFAOYSA-N 252.299 0.022 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2cc(COC)on2)C1 643756857 APXQHAYTTVBELG-AWEZNQCLSA-N 297.355 0.284 0 50 CCAA COc1ccccc1CCN(C)C(=O)[C@@H]1CNCCO1 237150658 ANHPHAYRNPSJMA-AWEZNQCLSA-N 278.352 0.685 0 50 CCAA C[C@]1(C(=O)O)CCN(C(=O)Cn2cc(C3CC3)nn2)C1 237645402 TXYRVMPIRHOEPU-ZDUSSCGKSA-N 278.312 0.479 0 50 CCAA Cn1ncc2c1C[C@H](C(=O)N1CC(=O)N(C3CC3)C1)CC2 336120121 BJRLEIMNSBPFQT-SNVBAGLBSA-N 288.351 0.316 0 50 CCAA C[C@]1(O)CCOC2(CCN(CCC(=O)O)CC2)C1 1704298008 BJUBJKRTISRLFY-LBPRGKRZSA-N 257.330 0.857 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCC(OC(=O)N(C)C)CC1 861839004 SAUFDYRWYYFTHS-UHFFFAOYSA-N 297.355 0.320 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)CC1CCOCC1 257720949 URVAGFDDVNCWMH-SNVBAGLBSA-N 257.286 0.115 0 50 CCAA COC[C@@H]1CN(C(=O)c2ccc(F)cn2)CCO1 182468947 STQLBYMEBAAZCU-JTQLQIEISA-N 254.261 0.708 0 50 CCAA Cn1c(CCN)nnc1SC[C@@H]1CCCOC1 426552048 RCXMBQJZAFOLCB-SECBINFHSA-N 256.375 0.835 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](C(=O)O)C(=O)N2 1857780910 ACPVMJPEPWZYCK-SECBINFHSA-N 298.339 0.977 0 50 CCAA O=C(NOCc1ccccc1)[C@H]1Cc2nncn2C1 2325789735 JQWULLDEMFEBPX-NSHDSACASA-N 258.281 0.698 0 50 CCAA C[C@H](O)CN(C)c1ncnc2c1ncn2[C@@H](C)CO 2325815167 FVMCVVXYPBJJQM-IUCAKERBSA-N 265.317 0.197 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1ccnc(O)c1 923201068 IWBAEXLGVBMLEB-RGOKHQFPSA-N 262.265 0.626 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C(=S)Nc1ccccc1 174763 SXSUDRGUXPALIB-ZJUUUORDSA-N 266.322 0.903 0 50 CCAA biogenic CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O 2384781 AUEJLPRZGVVDNU-STQMWFEESA-N 294.351 0.878 0 50 CCAA endogenous,in-man CN1CC[C@@H](O)[C@H](C(=O)NCc2nc3ncccc3o2)C1 2356152974 KOYGOTKXXUHRBR-NXEZZACHSA-N 290.323 0.152 0 50 CCAA Cc1nnnn1CCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356160039 AHGKNWBEYHJCNJ-GDNZZTSVSA-N 279.344 0.276 0 50 CCAA Cn1cc(CCC(=O)NCCCn2ccnc2)cn1 54852434 XIJDQMZHISYZSR-UHFFFAOYSA-N 261.329 0.756 0 50 CCAA Cc1cccc2nc(CN3CCS(=O)(=O)CC3)cn12 20668439 GXTBOTVXIUAOST-UHFFFAOYSA-N 279.365 0.873 0 50 CCAA CN(c1ccc(C(N)=O)c(Cl)c1)S(C)(=O)=O 65362787 XNIABYFGKMUEAW-UHFFFAOYSA-N 262.718 0.835 0 50 CCAA CCc1cnc(C)nc1NCCN(C)S(C)(=O)=O 65405450 WUMRQXZWYYXUFB-UHFFFAOYSA-N 272.374 0.651 0 50 CCAA CC(C)(CN)C(=O)N1CCC[C@H](Cn2cncn2)C1 236595500 ILMSRKKFCRNTRL-NSHDSACASA-N 265.361 0.502 0 50 CCAA O=C(NC[C@H]1CCCS1(=O)=O)[C@H]1C[C@@H]1C1CC1 153813684 OXXRMMUWXYIMSE-MXWKQRLJSA-N 257.355 0.726 0 50 CCAA Cn1ccnc1N1CCC(NC(=O)c2ccnn2C)CC1 330303373 PCJMODCMVSBBGG-UHFFFAOYSA-N 288.355 0.552 0 50 CCAA CO[C@H]1C[C@@H](C(=O)Nc2cc(C)c(=O)n(C)c2)N(C)C1 330545958 BXMLNWCAPGJUMU-RYUDHWBXSA-N 279.340 0.351 0 50 CCAA O=C(c1ccc[nH]c1=O)N1CCO[C@H](C(F)(F)F)C1 71615118 PSPNQNAOYCNXNO-QMMMGPOBSA-N 276.214 0.778 0 50 CCAA CC(=O)N1CC(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)C1 365769481 VIULUZIRFWIOIY-NSHDSACASA-N 296.367 0.261 0 50 CCAA COCCN1CCCN([C@H](C)c2nncn2C)CC1=O 367854341 ACCMBTVSZZYCMG-LLVKDONJSA-N 281.360 0.057 0 50 CCAA CN1C[C@]2(CCCN(C(=O)Cn3ccnc3)CC2)OC1=O 72143144 WKIQZFMYZXEGJD-CQSZACIVSA-N 292.339 0.716 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(Cl)cn2)C1 284874219 QPDKWTUPYMKANH-VHSXEESVSA-N 270.716 0.957 0 50 CCAA Cc1ccc2c(c1)c(CNC(=O)[C@@H]1CNCCO1)nn2C 72169978 JZNQZLPLTBQLNM-AWEZNQCLSA-N 288.351 0.486 0 50 CCAA C[C@@H]1CCCC[C@H]1OCC(=O)N1CCO[C@@H](C(=O)O)C1 262933619 GPPWLIZOOPKDLG-IJLUTSLNSA-N 285.340 0.894 0 50 CCAA COc1ccc2nc(C)c(C(=O)NC[C@H](O)C3CC3)n2n1 242284604 YIBIQAHDRULJQY-JTQLQIEISA-N 290.323 0.547 0 50 CCAA CCc1nnc(CNC(=O)[C@H]2CCS(=O)(=O)C2)s1 426497348 ZAIXYAOGIHHXEH-ZETCQYMHSA-N 289.382 0.151 0 50 CCAA CCCc1cc(C(=O)N[C@H]2CCCCNC2=O)[nH]n1 42480010 PHMOIYSCHCZOMG-JTQLQIEISA-N 264.329 0.761 0 50 CCAA CCN(Cc1noc(C)n1)C(=O)NCc1ncc[nH]1 426684375 ISBYGRFJLWGYIF-UHFFFAOYSA-N 264.289 0.833 0 50 CCAA O=C(C1Cc2ccccc2C1)N1CCN(c2nc[nH]n2)CC1 426635208 BARPGQOJXYCHMO-UHFFFAOYSA-N 297.362 0.868 0 50 CCAA CC(C)c1cc(C(=O)NCCN2CCNC2=O)n(C)n1 82097639 LUXYTLWXBOPZBV-UHFFFAOYSA-N 279.344 0.299 0 50 CCAA O=C(NCCc1nc(-c2cccnc2)no1)[C@@H]1CCCO1 223090337 WSCAPEHUXOQYHS-NSHDSACASA-N 288.307 0.969 0 50 CCAA O=C(CN1CC[C@H](CO)[C@H](O)C1)Nc1ccccc1 517476566 GPAFZPHLPGDJPN-DGCLKSJQSA-N 264.325 0.300 0 50 CCAA O=C(Cc1n[nH]c2ccccc12)N1CCCNCC1 238111356 HQBTXOQQCJEIIA-UHFFFAOYSA-N 258.325 0.927 0 50 CCAA COCCN(CCOC)Cc1ccc(C(=O)O)cn1 94762333 PHLQVCNLJUHSGG-UHFFFAOYSA-N 268.313 0.875 0 50 CCAA Cc1ccc(=O)n(Cc2nnc(C3CCC3)n2C)n1 181107743 QMICILUFDFDZJD-UHFFFAOYSA-N 259.313 0.996 0 50 CCAA CCCO[C@@H](C)CNC(=O)Cn1ccccc1=O 97759498 QTMDOOJEULPYIT-NSHDSACASA-N 252.314 0.780 0 50 CCAA CC[C@H](C)[C@H](NCc1nc(N)nc(N(C)C)n1)C(=O)OC 298817177 FVYLUMABAGMRQX-WPRPVWTQSA-N 296.375 0.197 0 50 CCAA C[C@]1(C(=O)O)CCN(C(=O)COC[C@H]2CCCO2)C1 299746047 UYMPFQAYMWXLHV-MFKMUULPSA-N 271.313 0.505 0 50 CCAA Nc1n[nH]c(CCNC2CSCCSC2)n1 534653013 KZTXAMURMSNASI-UHFFFAOYSA-N 259.404 0.368 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)CCn1ccnc1 534580441 IYPGGJYMLMLJLK-QWRGUYRKSA-N 253.302 0.193 0 50 CCAA CCN(CC)S(=O)(=O)NCc1[nH]cc(C)c(=O)c1C 534637786 JRXUMAOTAHWPFW-UHFFFAOYSA-N 287.385 0.668 0 50 CCAA Cc1cnc(CNC(=O)CN2CC[C@H](N(C)C)C2)cn1 299787948 UCZSRWJTAIGMQI-ZDUSSCGKSA-N 277.372 0.037 0 50 CCAA O=C(NCc1ccc(-c2ncon2)cc1)[C@@H]1CNCCO1 299799805 STGPSMGIVMKGNV-LBPRGKRZSA-N 288.307 0.341 0 50 CCAA COCCn1cnnc1CN(C)c1ncc(F)c(OC)n1 824464029 QIOBNQDRKNSVDV-UHFFFAOYSA-N 296.306 0.499 0 50 CCAA C[C@H](NC(=O)CNC(N)=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 827989703 WSINRCQJODOIIP-ZSUJPPOCSA-N 295.383 0.491 0 50 CCAA C[C@@H](Cn1cncn1)c1ncnn1CC(C)(C)O 822279790 NUVSUHKCLCWZPL-VIFPVBQESA-N 250.306 0.444 0 50 CCAA CCn1cnnc1CN1CCC2(CC1)CNC(=O)O2 823592194 BCXJDENGAPZWKI-UHFFFAOYSA-N 265.317 0.372 0 50 CCAA COCc1nc(-c2cc3ncccn3n2)n(CCO)n1 828778337 HOEUZJNONKQEBP-UHFFFAOYSA-N 274.284 0.127 0 50 CCAA CN1CCCC[C@H]1CNC(=O)CCCn1cnnn1 584901897 AUTHSFUKKRILQY-NSHDSACASA-N 266.349 0.054 0 50 CCAA CC(C)N1CCCN(C(=O)CN2CCC[C@H](O)C2)CC1 584893523 CARAAGDBMNDVNG-AWEZNQCLSA-N 283.416 0.386 0 50 CCAA CC(C)C1(O)CN(C(=O)NC2CC3(C2)C[C@@H]3N)C1 1551583260 SOEYYSVWTGJBJN-YZRBJQDESA-N 253.346 0.279 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 685943992 SYJLDJITFWJHRN-DTWKUNHWSA-N 278.374 0.968 0 50 CCAA CN1CCN(c2ncc(CNCC3(C)COC3)cn2)CC1 1875284261 UBVNVNDMCFAQHO-UHFFFAOYSA-N 291.399 0.355 0 50 CCAA Cc1nc(-c2cnn(C)c2)oc1C(=O)N1CCOCCN1 1875267850 BAQAFSYIMHIJPC-UHFFFAOYSA-N 291.311 0.361 0 50 CCAA Cn1cc(Cl)nc(N[C@H]2CCOC[C@@H]2F)c1=O 1875328928 SUDSDJBNOHXRHY-BQBZGAKWSA-N 261.684 0.973 0 50 CCAA CN1CCC[C@H]1C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 952863040 APOODNSKDUVDJP-NSHDSACASA-N 293.367 0.126 0 50 CCAA CCc1cccnc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 887912168 OVJNSNNZTZMTDO-TXEJJXNPSA-N 294.376 0.761 0 50 CCAA CSCCC(=O)N1CCc2[nH]nc(C(=O)O)c2C1 244874771 XHCGODBITJQLNU-UHFFFAOYSA-N 269.326 0.746 0 50 CCAA CCN1CCN([C@H](C)CNc2cc(OC)ncn2)CC1 676197432 KGUZNRSOYDADMS-GFCCVEGCSA-N 279.388 0.923 0 50 CCAA COC[C@H](NC(=O)Nc1ccccc1F)C(N)=O 170613428 DJISEMBBCSIHDP-VIFPVBQESA-N 255.249 0.448 0 50 CCAA COc1cc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)ncn1 280283498 PWEHNBFGMNVPIB-MFKMUULPSA-N 265.313 0.869 0 50 CCAA O=C(N=c1ccc(C2CC2)n[nH]1)NC[C@@H]1COCO1 585120091 QKXAZAXFHSPLME-SECBINFHSA-N 264.285 0.270 0 50 CCAA CNC(=O)NC[C@H]1COCCN1Cc1ccc(C)nc1C 640104663 IWPKCBKVOHQSST-AWEZNQCLSA-N 292.383 0.828 0 50 CCAA CC1(C)C[C@@H]1NC(=O)N1CC[C@H](n2cc(C(N)=O)nn2)C1 644329882 UBLFGJMMYFNGSS-WPRPVWTQSA-N 292.343 0.132 0 50 CCAA Cc1c[nH]ccc1=NC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 656602489 HHGQXJANGBNGHT-QMTHXVAHSA-N 291.307 0.377 0 50 CCAA CCn1nc(C)cc1C(=O)Nc1nonc1NC(C)=O 1506400567 AUHAYROZNMLFKN-UHFFFAOYSA-N 278.272 0.805 0 50 CCAA C[C@H](C(=O)Nc1cnn2c1NCCC2)N1CCCC1=O 1506428950 ZUAQKEQFRWKXIU-SECBINFHSA-N 277.328 0.648 0 50 CCAA Cc1cnnc(N2CC[C@H](N3CCN(C)CC3)C2)c1C 1857674858 ALQVICZPSRSKHF-AWEZNQCLSA-N 275.400 0.920 0 50 CCAA CNC(=O)c1cn2c(n1)CCN(C1CCOCC1)CC2 1875251363 BHDWPKNJDDKRSB-UHFFFAOYSA-N 278.356 0.280 0 50 CCAA Cc1ccc(C(=O)NC[C@@H](N)CO)c(F)c1Cl 1616039582 RRWMJRHGVYMDBE-SSDOTTSWSA-N 260.696 0.837 0 50 CCAA CCO[C@@H](C)C(=O)N1CCC[C@]1(COC)C(=O)O 643848959 PVKTXDYJYRUJME-CABZTGNLSA-N 259.302 0.504 0 50 CCAA COCCN1CCN(C[C@H]2CCC(=O)N(C)C2)CC1 1772812627 MOUQQLGRMGVOAW-ZDUSSCGKSA-N 269.389 0.119 0 50 CCAA Cc1cc(=O)cc(O)n1C[C@H]1CCS(=O)(=O)C1 1772491343 PITVBDXUORMNBT-SECBINFHSA-N 257.311 0.297 0 50 CCAA O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCOCC1 11818709 QMVMNGHJRPGLIK-UHFFFAOYSA-N 290.298 0.938 0 50 CCAA CC(C)CCN1CCN2C(=O)[C@H](C(C)C)NC(=O)[C@H]2C1 14539623 WKJWYGLMSPATOH-OLZOCXBDSA-N 281.400 0.700 0 50 CCAA CC(C)c1noc(CN2C(=O)C[C@H]3NCC[C@H]32)n1 1857692211 ULGSCIZVRDMXCO-RKDXNWHRSA-N 250.302 0.656 0 50 CCAA CC(C)(C(=O)N1CC(CC(F)F)C1)S(C)(=O)=O 332011239 DENIITZZADBJIW-UHFFFAOYSA-N 269.313 0.923 0 50 CCAA COc1ccc(CN[C@H](C)C[C@@H]2COCCN2)cn1 133470152 CGKHEMBCSPCMFO-DGCLKSJQSA-N 265.357 0.947 0 50 CCAA CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2nn[nH]n2)CC1 1875269234 OLAFHCJYLQAKMJ-NSHDSACASA-N 292.343 0.122 0 50 CCAA Cc1cc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)nc(N)n1 1704302596 AVXLXWCNVBKHPS-IUODEOHRSA-N 291.399 0.650 0 50 CCAA O=C(O)[C@@H]1COCCN(Cc2ccn3nccc3c2)C1 1772811885 ACPQZWJXPYUKAO-LBPRGKRZSA-N 275.308 0.867 0 50 CCAA Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC(O)CC1 1248595424 HPWUTJTWCASBIE-UHFFFAOYSA-N 265.313 0.203 0 50 CCAA CCCn1cnnc1CN(C)S(=O)(=O)CCC 670455447 YKYRKXYDYDFKDV-UHFFFAOYSA-N 260.363 0.860 0 50 CCAA Cc1nnc(CCC(=O)Nc2nc3n(n2)CCCC3)n1C 2325773517 NWPPALVPNBFTNR-UHFFFAOYSA-N 289.343 0.623 0 50 CCAA CCN(C(=O)[C@H]1C[C@@H](CC(=O)O)C1)[C@H](C)C(=O)O 2325789780 MIPHTDIPKYNKRE-HLTSFMKQSA-N 257.286 0.809 0 50 CCAA O=C(NC[C@H]1CCCNC1=O)c1n[nH]cc1-c1ccncc1 2325797995 DZPLKCMZJAWQPG-LLVKDONJSA-N 299.334 0.728 0 50 CCAA O=C(NC[C@H]1COCCO1)c1n[nH]cc1-c1ccncc1 2325798173 SDLQYSWHKYXCNQ-NSHDSACASA-N 288.307 0.617 0 50 CCAA COC(=O)c1cc(NC(=O)[C@@H]2CCCN(C)C2=O)nn1C 913023716 GXXOYJNQJBESPG-QMMMGPOBSA-N 294.311 0.014 0 50 CCAA Cc1ccc(N2C(=O)C=CC2=O)cc1N1C(=O)C=CC1=O 98706 FJKKJQRXSPFNPM-UHFFFAOYSA-N 282.255 0.854 0 50 CCAA COCCc1nnc2n1[C@@H](C)C(=O)N1CCC[C@@H]21 2356139318 PFFARDFBXCWQSA-IUCAKERBSA-N 250.302 0.705 0 50 CCAA CO[C@H]1CC[C@H](NC(=O)[C@H]2CCn3ncnc3C2)CC1 2356158947 FYDVGZBRLDXOTB-SRVKXCTJSA-N 278.356 0.914 0 50 CCAA CC(C)(C)NC[C@@H](O)COc1cccc2[nH]c(=O)[nH]c12 3979134 UMQUQWCJKFOUGV-SECBINFHSA-N 279.340 0.984 0 50 CCAA in-vitro C[C@H]1CC(=O)NCCN1C(=O)COCc1ccccc1 366640466 GVTPBOQBITYDQP-LBPRGKRZSA-N 276.336 0.940 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCC2=CCN(C)CC2)N(C)C1 346193326 PVMRAOYSAYSQBL-STQMWFEESA-N 267.373 0.084 0 50 CCAA N[C@@]1(C(=O)O)CCN(Cc2ccnn2-c2ccccc2)C1 67473375 HZKPYNACVRBUDQ-HNNXBMFYSA-N 286.335 0.860 0 50 CCAA CC[C@@H](CO)NC(=O)c1cc(CN2CCC(O)CC2)on1 67489790 DQVNLWBZRSLMAI-JTQLQIEISA-N 297.355 0.132 0 50 CCAA CC[C@](C)(C(=O)OC)N(CC(=O)NC(N)=O)CC1CC1 425508609 HJHDBJICQZVSBF-CYBMUJFWSA-N 285.344 0.235 0 50 CCAA Cc1cc(S(=O)(=O)NC[C@H](O)C(=O)O)sc1Cl 231807423 SKIPGIPTYDXLET-YFKPBYRVSA-N 299.757 0.434 0 50 CCAA C=CC(=O)N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 863971138 GUVXXUCXBBXGTP-JTQLQIEISA-N 262.313 0.592 0 50 CCAA CCn1cnnc1[C@@H]1CN([C@@H]2CCCC[C@@H]2O)CCO1 328631525 KNQGXCUGMKKWSD-AGIUHOORSA-N 280.372 0.975 0 50 CCAA Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c1 77386095 SFQLOGVSIMQWPT-GFCCVEGCSA-N 278.356 0.565 0 50 CCAA COC[C@H](O)CN1CCN(c2ccccc2OC)CC1 31637341 DNURDYLUCLMRHU-CYBMUJFWSA-N 280.368 0.825 0 50 CCAA CO[C@H]1C[C@@H](C(=O)Nc2nc3cccnc3n2C)N(C)C1 331829682 XXTHHYHLGLSCMG-ONGXEEELSA-N 289.339 0.626 0 50 CCAA CN(CC(=O)O)C(=O)c1ccc(CN2CCCC2=O)cc1 237169534 YVEZYJCEFGYJDP-UHFFFAOYSA-N 290.319 0.966 0 50 CCAA O=C(NCc1cccnc1)C(=O)Nc1nccs1 38146047 MLOMIIQWTGXAGE-UHFFFAOYSA-N 262.294 0.793 0 50 CCAA COc1c(F)cccc1C(=O)N1CCC[C@@](O)(CO)C1 72151576 GADJSZPVUZJSST-AWEZNQCLSA-N 283.299 0.794 0 50 CCAA CN(C(=O)CC1(O)CCCC1)[C@H]1CCCCNC1=O 369953504 YWXDSLRFNQSWLN-NSHDSACASA-N 268.357 0.809 0 50 CCAA COc1ccc([C@H](O)C(=O)NCc2ccncn2)cc1 216461110 KPHREWVXELCEFG-ZDUSSCGKSA-N 273.292 0.835 0 50 CCAA CO[C@H]1CN(C(=O)c2cccc3c2OCC3)CC[C@H]1N 71760939 MRMKZECRPAQZAC-OLZOCXBDSA-N 276.336 0.810 0 50 CCAA CCNc1ncc(CN(C)[C@H]2CCS(=O)(=O)C2)cn1 215507879 PRPYBQYRVSNKQK-NSHDSACASA-N 284.385 0.527 0 50 CCAA Cc1cc(N2C(=O)[C@H]3COCCN3C2=O)c(C)cn1 375947569 VTLKVOOGWNCFOO-LLVKDONJSA-N 261.281 0.866 0 50 CCAA CC(C)N(C)CC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 239539234 AVXWZSVKESGODD-UONOGXRCSA-N 283.416 0.384 0 50 CCAA O=C(Nc1nncs1)[C@@H](c1ccccc1)n1cnnn1 71385095 OWUCAXOQBPLJGH-SECBINFHSA-N 287.308 0.753 0 50 CCAA CN(C)CC1(CO)CCN(Cc2cncn2C)CC1 216183367 XASDXSSZQIYMEF-UHFFFAOYSA-N 266.389 0.556 0 50 CCAA CC(=O)N[C@@H]1[C@@H](NC(=O)c2ccoc2)[C@H]2CCO[C@H]21 223845099 LLAQNNLUHOBGMA-WRWGMCAJSA-N 264.281 0.301 0 50 CCAA COc1ncc(C(=O)NCCSc2n[nH]c(C)n2)cn1 426533897 XEOABOTXYZAKRX-UHFFFAOYSA-N 294.340 0.434 0 50 CCAA COc1c[nH]c(C(=O)N[C@@H]2CCSC2)cc1=O 97743428 MGWXKYUWNWVUTB-SSDOTTSWSA-N 254.311 0.619 0 50 CCAA CCc1cc(C(=O)NC[C@H](O)CN2CCCC2)cc(=O)[nH]1 97179384 VAPZWECCXBSRHB-ZDUSSCGKSA-N 293.367 0.124 0 50 CCAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ocnc1C)CC2 92099830 LFKVAHGWMGDKEN-MNOVXSKESA-N 280.324 0.985 0 50 CCAA Cn1cnn(CC(=O)N2CCOc3cccc(F)c32)c1=O 183111640 FFDJIIVFMSXHHJ-UHFFFAOYSA-N 292.270 0.147 0 50 CCAA CC[C@@H](NC(=O)CCc1cnn(C)c1)c1ncnn1C 534663259 CISXDMAKJLNNLR-LLVKDONJSA-N 276.344 0.749 0 50 CCAA O=C(CCc1nc(O)n[nH]1)NC1Cc2ccccc2C1 1940197237 BLVCMNBRQJRKII-UHFFFAOYSA-N 272.308 0.727 0 50 CCAA Cc1noc(C)c1CCC(=O)NCCc1ncnn1C 670469277 UATUIQRCNFJORA-UHFFFAOYSA-N 277.328 0.711 0 50 CCAA Cn1cnn(CC(=O)NC[C@H]2CCOC3(CCC3)C2)c1=O 1550806661 QZVCCMFFPYDRAI-NSHDSACASA-N 294.355 0.047 0 50 CCAA CCOC(=O)C[C@@](C)(NC(=O)Nc1nnn(C)n1)C(C)C 685942038 BIZDZEJGTNWNAL-GFCCVEGCSA-N 298.347 0.700 0 50 CCAA CC(C)NC(=O)[C@@H](c1ccccc1)n1cc(CO)nn1 1875282755 RAMSCMWSLITFSB-CYBMUJFWSA-N 274.324 0.884 0 50 CCAA C=CC(=O)N(C)CC(=O)N1Cc2ccnn2C[C@@H]1C 1875370665 YEGMWMZZXDCKLG-JTQLQIEISA-N 262.313 0.258 0 50 CCAA Cc1nnc(CN(C)CCCS(=O)(=O)N(C)C)o1 243932275 BUCSVZJWKXQGBY-UHFFFAOYSA-N 276.362 0.091 0 50 CCAA Cn1cc(O[C@@H]2CN(Cc3cc[nH]c3)C[C@H]2O)cn1 886079431 ZLOPNZGAASGGHN-CHWSQXEVSA-N 262.313 0.372 0 50 CCAA O=C1C[C@H](NCCS(=O)(=O)c2ccc(F)cc2)CN1 1775994492 VLQSZTNEXASYGH-JTQLQIEISA-N 286.328 0.078 0 50 CCAA CC(C)(C)Cn1cc(CN2CCNC(=O)C2)nn1 899711800 RACWCDVZOPWLCJ-UHFFFAOYSA-N 251.334 0.256 0 50 CCAA COc1cccnc1CNC(=O)NC[C@H]1CCOC1 1527587399 VTQYLTMEYHYPGZ-SNVBAGLBSA-N 265.313 0.926 0 50 CCAA CCc1nccn1CCNC(=O)c1cc(O)n(C)n1 1471787956 FTMLFPBTZHIPAC-UHFFFAOYSA-N 263.301 0.315 0 50 CCAA CC(C)N1CCN(C(=O)N[C@@H]2CCn3ccnc32)CC1=O 1478685971 XUANYTKDHDCMSM-LLVKDONJSA-N 291.355 0.590 0 50 CCAA C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)CNC(=O)CN 274451154 SHVOHWRIPFCTLA-TZMCWYRMSA-N 289.379 0.541 0 50 CCAA COCC[C@H](C)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 275731818 ZWCMZLQMSHQRKD-QWHCGFSZSA-N 294.399 0.764 0 50 CCAA CNC(=O)C1CN(C(=O)[C@H]2Oc3ccccc3[C@H]2C)C1 170082679 KZCXJSPGVPIUAX-RNCFNFMXSA-N 274.320 0.756 0 50 CCAA CSC[C@@H](C)C(=O)N[C@H]1CS(=O)(=O)C1(C)C 585129926 BXKQRPMULJNLNY-SFYZADRCSA-N 265.400 0.677 0 50 CCAA CCO[C@@H]1C[C@@H](NC(=O)C2(O)CCC2)C12CCOCC2 187570265 FIIJBRKYGXCXBI-VXGBXAGGSA-N 283.368 0.992 0 50 CCAA CC(C)(C(=O)N1CCC2(CCOCC2)C1)S(C)(=O)=O 408106381 KLRWEUTZKDLVKI-UHFFFAOYSA-N 289.397 0.839 0 50 CCAA O=C(c1cnn2ccccc12)N1CCN2CCOC[C@@H]2C1 408196109 AOUSPFCXORMIHZ-LBPRGKRZSA-N 286.335 0.491 0 50 CCAA COCc1nc(OC)cc(N2CCN(C)CC2)n1 680331444 XRETUZYDRHDZHY-UHFFFAOYSA-N 252.318 0.383 0 50 CCAA Cn1cc(-c2cncc(C(=O)N[C@@H]3CNC(=O)C3)c2)cn1 680455778 LTEHMLGVNUYQEL-LBPRGKRZSA-N 285.307 0.100 0 50 CCAA CC1(C)CC[C@@H](CNC(=O)N2CCS(=O)(=O)CC2)O1 188660513 MWXIHINSWFEOQH-JTQLQIEISA-N 290.385 0.384 0 50 CCAA CCS(=O)(=O)NCCc1cccc(C(=O)O)c1 111403972 VGOPAXMJHJIGCZ-UHFFFAOYSA-N 257.311 0.867 0 50 CCAA Cc1cc(C(=O)N2CCC[C@](O)(CC(N)=O)C2)c(C)o1 643995054 WRGFITRCJBKOGS-AWEZNQCLSA-N 280.324 0.739 0 50 CCAA NC(=O)C[C@]1(O)CCCN(C(=O)c2ccoc2)C1 643995058 WTVAFABVPFQVPY-GFCCVEGCSA-N 252.270 0.122 0 50 CCAA Cn1cc(N2CCN(Cc3ccnc(N)c3)CC2)cn1 191523100 SCLYLJSHTRMVLD-UHFFFAOYSA-N 272.356 0.720 0 50 CCAA O=C(O)C1(C(=O)Nc2ccnc(OCCO)c2)CC=CC1 663140874 QNDWBQBIRDHGDN-UHFFFAOYSA-N 292.291 0.812 0 50 CCAA Cc1ccnc(N2CC[C@](O)(Cn3ccnn3)C2)n1 794048587 CPMWLDQMOZNVSN-GFCCVEGCSA-N 260.301 0.018 0 50 CCAA CC[C@H](C(=O)NC1CCN(CC(=O)O)CC1)N(C)CC 1506400723 KXZPYKVUTSEAAI-GFCCVEGCSA-N 285.388 0.382 0 50 CCAA O[C@@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)CC1 1506418170 FEUFDMKTSBLRDH-LLVKDONJSA-N 296.346 0.804 0 50 CCAA CC(C)[C@H]1CN(c2nnc(CN(C)C)n2C)CCO1 1616035726 CHHMEQYTOUBHIE-LLVKDONJSA-N 267.377 0.738 0 50 CCAA C[C@@H](Nc1ncc(F)c(N(C)C)n1)c1ncnn1C 1772706570 SYGXGORITPHVLL-SSDOTTSWSA-N 265.296 0.983 0 50 CCAA C[C@@H](CC(F)(F)F)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772710542 MXBIZGAKMZTBFL-XHNCKOQMSA-N 253.264 0.860 0 50 CCAA COCCCNC(=O)C(=O)NCCc1ccc(OC)cc1 5059492 XDYOYLGARYCGIS-UHFFFAOYSA-N 294.351 0.507 0 50 CCAA CN1CC[C@H](NC(=O)[C@H]2CC(=O)c3ccccc32)C1=O 19792764 JRAJJIJRZXERAJ-RYUDHWBXSA-N 272.304 0.704 0 50 CCAA Cc1nc2nc(C)c(NC(=O)C3CCOCC3)c(=O)n2[nH]1 1857723454 GNJKAWXHZOFONU-UHFFFAOYSA-N 291.311 0.400 0 50 CCAA O[C@@H]1CN(CC2COCCOC2)C[C@H]1Cc1ccccn1 1875248275 HQXYZYRPXUSBIR-GDBMZVCRSA-N 292.379 0.580 0 50 CCAA CC(C)Cc1cc(=NC(=O)[C@]23CNC[C@H]2COC3)[nH][nH]1 653347813 QVLWTQWENLXGPN-HZMBPMFUSA-N 278.356 0.205 0 50 CCAA O=C(N[C@H]1CCO[C@@H]1C1CCNCC1)C(F)(F)F 238833321 APCIETLTELLVSM-DTWKUNHWSA-N 266.263 0.822 0 50 CCAA O=C(O)[C@@H]1C[C@@H]1C(=O)N1CCC(OC2CCOCC2)CC1 360571672 FZWXCCPWDUZZPX-QWHCGFSZSA-N 297.351 0.894 0 50 CCAA CN[C@H](C(=O)N1CCOC(C)(C)C1)c1cnn(C)c1 262282463 XIMOPZBZHCRCDV-NSHDSACASA-N 266.345 0.318 0 50 CCAA CN1CCC[C@]2(CO)CCN(C(=O)c3cnccn3)C[C@@H]12 1704302795 SUQJKJUCQHNIPG-UKRRQHHQSA-N 290.367 0.395 0 50 CCAA C[C@@]1(O)CCOC2(CCN(Cc3cc[nH]n3)CC2)[C@H]1O 1704326343 VSZGWPGYHZCNFT-QWHCGFSZSA-N 281.356 0.277 0 50 CCAA O=C(NCCC(=O)N1CCCCC1)[C@@H]1CCCNC1 124138303 XSKLDOHIHXMLGU-GFCCVEGCSA-N 267.373 0.505 0 50 CCAA Cc1nccn1CCNC(=O)c1cc(C(=O)O)co1 312056203 FRKASDSBOFAPRW-UHFFFAOYSA-N 263.253 0.913 0 50 CCAA O=C(C[C@@H]1CCOC1)N1CCC(c2nc[nH]n2)CC1 371922944 KTWLKYVZFNKSLP-JTQLQIEISA-N 264.329 0.937 0 50 CCAA Cc1nc([C@H]2CCCN(CCS(C)(=O)=O)C2)n[nH]1 760961272 QUCUJZZVMCZRMH-JTQLQIEISA-N 272.374 0.337 0 50 CCAA CCn1c(=O)n(CC)c2cc(S(N)(=O)=O)ccc21 111316 ITRNHCBDICBBGK-UHFFFAOYSA-N 269.326 0.490 0 50 CCAA CO[C@H]1CCN(c2cc(C(N)=O)nc(C3CC3)n2)C1 2325806071 QSXSNMKNAVWORN-VIFPVBQESA-N 262.313 0.678 0 50 CCAA CCOc1ccccc1NC(=O)C[C@@H]1NCCNC1=O 544988 FEAVQOFMKJXHBZ-NSHDSACASA-N 277.324 0.502 0 50 CCAA O=C(CN1CCOCC1)Nc1ccccc1C(=O)O 848216 DGNDLPLCHNEMFX-UHFFFAOYSA-N 264.281 0.656 0 50 CCAA CC(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 2356144060 IGCCZXZZMRGEAI-LXTVHRRPSA-N 261.321 0.602 0 50 CCAA CCc1ccc(NS(=O)(=O)c2cnc(O)[nH]c2=O)cc1 4270283 AUFZTQBSOPRQIR-UHFFFAOYSA-N 295.320 0.839 0 50 CCAA C[C@@H](C(N)=O)N(c1ccc(F)cc1)S(C)(=O)=O 4839834 MZGYXMOKYUDEPO-ZETCQYMHSA-N 260.290 0.466 0 50 CCAA CO[C@H](CNC(=O)c1ccc(N(C)C)cc1)C(=O)O 227266092 GNFLBLBRBVKBIE-LLVKDONJSA-N 266.297 0.582 0 50 CCAA CN1CCN(Cc2cccc3nonc23)C[C@H]1CCO 104532953 GFUIKDAXBZBXKO-GFCCVEGCSA-N 276.340 0.721 0 50 CCAA COC(=O)[C@@H](NC(=O)c1cnc(N(C)C)nc1C)C1CC1 65406528 YPQDNQKFGLLWJE-NSHDSACASA-N 292.339 0.532 0 50 CCAA CN(CC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 22606742 NIPJBCFKYMEHIT-UHFFFAOYSA-N 274.317 0.333 0 50 CCAA Cc1cnc(NCCn2nc(O)ccc2=O)nc1N(C)C 65490596 CFOTWGTYTOJFHX-UHFFFAOYSA-N 290.327 0.225 0 50 CCAA CCC[C@@H](C)C(=O)NCCNC1=NCCCCN1 521396955 SCXQFIRQUTWAAA-LLVKDONJSA-N 254.378 0.868 0 50 CCAA CCOC(=O)C[C@@H](C)NC(=O)c1cnn2ccn(C)c12 65535749 IBDRZOMRBCHQBO-SECBINFHSA-N 278.312 0.744 0 50 CCAA O=C(O)c1ccn(Cn2nnc(-c3ccccc3)n2)n1 32372 UGXKJUFRIUUVII-UHFFFAOYSA-N 270.252 0.741 0 50 CCAA CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)O)c1ccccc1 236815076 VFRURYMCBARRQA-OLZOCXBDSA-N 290.319 0.939 0 50 CCAA Nc1cccc(C(=O)NCCc2csc(N)n2)n1 219034316 XYEYENARKABTOR-UHFFFAOYSA-N 263.326 0.675 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCCc1cn[nH]c1 219535780 BOQSFSPPNJXSIH-MXYBEHONSA-N 293.367 0.899 0 50 CCAA CN(C)CCN(C)C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C 284497720 CIDMGIUBWZVCME-TZMCWYRMSA-N 294.399 0.908 0 50 CCAA CNc1ncc(CN(C)Cc2cc3n(n2)CCNC3)cn1 72171219 FEMUNUJJMOZBLL-UHFFFAOYSA-N 287.371 0.450 0 50 CCAA Cc1cc(C(=O)N2CCO[C@H](C(=O)O)C2)nn1C(C)(C)C 237701338 BBUCAMGASHQMRX-NSHDSACASA-N 295.339 0.872 0 50 CCAA CN(C)C(=O)NCC(=O)N[C@@H](CC(=O)O)c1ccccc1 217201255 XCOPJEKKHPUBLP-NSHDSACASA-N 293.323 0.590 0 50 CCAA Cc1cccc(CN2CCN(C(=O)[C@@H](C)O)CC2=O)c1 72425644 CHWHOXXSACEVIC-GFCCVEGCSA-N 276.336 0.547 0 50 CCAA CCCc1cc(N2C[C@H](O)C[C@H]2CO)n2ncnc2n1 372242448 TVCPMXCWUJFOAG-WDEREUQCSA-N 277.328 0.009 0 50 CCAA Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1O 219416790 FGNGZVJXBSLNRX-CHWSQXEVSA-N 267.300 0.943 0 50 CCAA CC[C@H]1c2cccn2CCN1C(=O)CCCS(N)(=O)=O 72440326 VYHYTZAZBUIMSO-NSHDSACASA-N 299.396 0.850 0 50 CCAA OCCOc1cncc(N2CCC[C@@H](c3ccn[nH]3)C2)n1 133202115 RWPHYKSKLWNDRU-LLVKDONJSA-N 289.339 0.955 0 50 CCAA CN(C)C(=O)NCC(=O)N1CCC[C@H](Cn2ccnc2)C1 223640918 XTYFWPZFANTJPP-GFCCVEGCSA-N 293.371 0.393 0 50 CCAA CCCO[C@@H](C)C(=O)NCCc1noc(CO)n1 221251052 IJACVLFRGQNTIV-QMMMGPOBSA-N 257.290 0.036 0 50 CCAA O=C(Cc1[nH]nc2ccccc12)N[C@H]1CCS(=O)(=O)C1 144366420 MVCLGPKJMSGQBN-VIFPVBQESA-N 293.348 0.409 0 50 CCAA C[C@H](C(N)=O)N1CCN(c2ccccc2Cl)C(=O)C1 91603358 BGRTVQRRNINXIX-SECBINFHSA-N 281.743 0.862 0 50 CCAA CC(C)n1cnnc1[C@@H](C)NC(=O)Cn1ccccc1=O 426684486 NBXQWAJLDUGDNJ-LLVKDONJSA-N 289.339 0.898 0 50 CCAA CCNC(=O)C[C@H]1C(=O)N=C2Nc3ccccc3N21 95117649 VWSGQJLZHSJWKR-JTQLQIEISA-N 258.281 0.710 0 50 CCAA O=C(O)Cn1ccc(NC(=O)[C@H]2CCCOC2)n1 181798324 ZQCWBYFWFQGLSE-QMMMGPOBSA-N 253.258 0.333 0 50 CCAA O=C(CCN1CCCCC1=O)NCC[C@@H]1CCOC1 534658058 JPGLUMKNUPRIPK-GFCCVEGCSA-N 268.357 0.932 0 50 CCAA C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc(C2CC2)no1 534661978 FWTCWIMKRJFVOQ-SSDOTTSWSA-N 297.340 0.720 0 50 CCAA COCCn1cnnc1CN(C)Cc1noc(C)n1 824463879 HNUCOIHUJUPXEV-UHFFFAOYSA-N 266.305 0.248 0 50 CCAA CN(CCN1CCOCC1)C(=O)C1(Cn2ccnc2)CC1 823618857 RIDAYGPKHOEZHJ-UHFFFAOYSA-N 292.383 0.454 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCc1ccnc(C)c1 670459764 QKUGJNNTWNAGHB-SECBINFHSA-N 251.286 0.751 0 50 CCAA C[C@@H](CO)NC(=O)[C@]1(C)Oc2ccccc2NC1=O 630728570 VSJRQQAAXYMXMY-SDBXPKJASA-N 264.281 0.273 0 50 CCAA O=C1CCCCN1CC(=O)N1CC[C@@]2(C(=O)O)CCC[C@@H]12 872765304 LWALSLWCBJJRMT-ABAIWWIYSA-N 294.351 0.855 0 50 CCAA COCCC(=O)N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 952889154 WSBNHJCPGZDWLG-NWDGAFQWSA-N 284.356 0.294 0 50 CCAA CO[C@H](C(=O)N1CC[C@@H]2C[C@]2(O)C1)c1cnn(C)c1 1875278487 FASKQYUUQRDMLZ-MDZLAQPJSA-N 265.313 0.091 0 50 CCAA COc1cccc2c1OC[C@H](N[C@@H]1CCCNC1=O)C2 1875262562 WUDULQSBAFXLAI-VXGBXAGGSA-N 276.336 0.867 0 50 CCAA O=C(Nn1ccccc1=O)c1ccnc(C2CC2)n1 1306819484 FPRSRNTWTMQRKQ-UHFFFAOYSA-N 256.265 0.900 0 50 CCAA O=S1(=O)CCC[C@@]2(C1)Nc1ccccc1-c1nnnn12 1775997971 WUXHZLZMCVMHIE-GFCCVEGCSA-N 291.336 0.627 0 50 CCAA C=CS(=O)(=O)CCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O 1776007176 WDXBKKWLLRJYNM-AXFHLTTASA-N 272.370 0.131 0 50 CCAA Cn1nc(C(=O)N[C@]23CCC[C@@H]2NCC3)cc1O 1342438264 VZWHYMZHVRZWTG-CABZTGNLSA-N 250.302 0.140 0 50 CCAA COC(=O)c1nc(I)cnc1N 38227307 FDLARAKNPMCCKJ-UHFFFAOYSA-N 279.037 0.450 0 50 CCAA in-vitro COC[C@@H]1[C@H](NC(=O)c2cnccn2)[C@H]2CCO[C@@H]12 1565507133 SPIGUECXZLIBMO-CNVPUSNMSA-N 263.297 0.256 0 50 CCAA CS(=O)(=O)N1CCOC[C@H]1CC(=O)c1ccccc1 166566237 JCIMFQZANHTJIY-GFCCVEGCSA-N 283.349 0.920 0 50 CCAA Cc1cc(N2CC[C@@H](N=c3ccc4nccn4[nH]3)C2)ncn1 548021608 QNUOTNFMMRMOQS-GFCCVEGCSA-N 295.350 0.940 0 50 CCAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc[nH]n2)cn1 275428298 URQYVIAIQXLYLF-CMPLNLGQSA-N 275.312 0.886 0 50 CCAA Cn1cnc2c(NCc3cc(C(N)=O)co3)ncnc21 681673308 YMNRMZTVIOMNMU-UHFFFAOYSA-N 272.268 0.667 0 50 CCAA Cn1cc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)cn1 276345585 VCFVDAKZTGSGKG-UONOGXRCSA-N 290.371 0.777 0 50 CCAA Cc1cc(C(=O)NCc2nnnn2CC2CC2)[nH]n1 170083183 PPINLMCHUWQQFC-UHFFFAOYSA-N 261.289 0.045 0 50 CCAA CCC(CC)N1C[C@@H](C(=O)N2CC(CO)C2)CC1=O 187003853 BFSQYKRCHPWZID-NSHDSACASA-N 268.357 0.474 0 50 CCAA CO[C@@H]1C[C@@H](N[C@H]2CCCS(=O)(=O)C2)C1(C)C 300414961 PUSVLQCDAVTFAM-HBNTYKKESA-N 261.387 0.967 0 50 CCAA CCOC(=O)[C@H](NC(=O)[C@@H]1NCC1(C)C)C1CC1 1329118598 NAFUNYFSKBWHOK-ZJUUUORDSA-N 254.330 0.442 0 50 CCAA CCOC1(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)CCCC1 408053054 FCOHWHVBIZUTKS-GHMZBOCLSA-N 268.357 0.916 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(C)[nH]n1 644060619 YVNHRJSULXKPCX-CYBMUJFWSA-N 280.328 0.085 0 50 CCAA CCO[C@H]1C[C@](O)(CNC(=O)c2cnn(C)c2)C1(C)C 191769533 BRTPGOMJJYMXJW-FZMZJTMJSA-N 281.356 0.716 0 50 CCAA C[C@H]1CN(C(=O)CC2(O)CCCC2)CCS(=O)(=O)C1 191890525 ZXPQGGSRMVHUKI-NSHDSACASA-N 289.397 0.575 0 50 CCAA CO[C@@H]1COCC[C@@H]1CN1C(=O)NC2(CCCC2)C1=O 569823651 LFAVBCUHBVVLCB-GHMZBOCLSA-N 282.340 0.903 0 50 CCAA C[C@H]1COCCN1CCNC(=O)c1ccnn1C(F)F 668255098 RBCHVWRSVMROBL-VIFPVBQESA-N 288.298 0.729 0 50 CCAA CC[C@@](C)(O)Cc1cn([C@H]2CCN(C)C2=O)nn1 585091529 UIQRCDXTJTUXLQ-CMPLNLGQSA-N 252.318 0.385 0 50 CCAA CCC[C@]1(C(=O)O)CCN(c2cc(O)ncn2)C[C@@H]1O 1704324817 FFXIZYULHGJCFQ-ZANVPECISA-N 281.312 0.624 0 50 CCAA CN(C)c1c[nH]ccc1=NC(=O)N1C[C@@H]2CC[C@]2(N)C1 1615058922 SMUWVONQFXNIQB-HZMBPMFUSA-N 275.356 0.525 0 50 CCAA CN1CCN(c2ccnc3c2cnn3C)C[C@@]12CCOC2 1615593262 ZWPNFWZKTRSSKN-OAHLLOKOSA-N 287.367 0.879 0 50 CCAA O=C(NCCC(=O)N1CCN[C@H]2C[C@@H]21)OCC(F)(F)F 1616039872 XKNXLNICUZNDRH-YUMQZZPRSA-N 295.261 0.238 0 50 CCAA Cc1cc(Cl)cc(C(=O)NCCOCC(N)=O)c1 131282003 ONTFCPXHIRRBMV-UHFFFAOYSA-N 270.716 0.880 0 50 CCAA CCc1cncc(C(=O)N2C[C@@H](OC)C[C@H]2CO)c1 345477299 CUWMBUAWPAYBFN-STQMWFEESA-N 264.325 0.866 0 50 CCAA COc1cc(N2CCC([C@@H](O)CO)CC2)nc(OC)n1 1772703525 NXZJYLAJDCZTNM-JTQLQIEISA-N 283.328 0.063 0 50 CCAA CCc1cnc(N)nc1N1CC[C@@H](CC(=O)NC)C1 1772710629 CNMSARZWTZWUQB-VIFPVBQESA-N 263.345 0.584 0 50 CCAA O=C(CSc1nncc(O)n1)NCc1ccccc1 18206515 PEIUFXOOFCYYME-UHFFFAOYSA-N 276.321 0.986 0 50 CCAA Cc1cccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)c1 19228493 JCXLGPXUXUJQLW-ZDUSSCGKSA-N 274.320 0.959 0 50 CCAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cncn1C 19811892 QDSCATYJYGCBQL-SNVBAGLBSA-N 281.312 0.214 0 50 CCAA O=C(N[C@H]1COC2(CCNCC2)C1)C1CC=CC1 1857688556 PSHKXCANYUBQBA-GFCCVEGCSA-N 250.342 0.980 0 50 CCAA CN(C)c1nc(N2CCO[C@H]3C[C@H](CO)C[C@@H]32)ncc1F 1857733411 JNILJLDJJOFIFE-USWWRNFRSA-N 296.346 0.658 0 50 CCAA CCc1ncnc(N2C[C@H]3COC[C@@H](C2)C(=O)N3)c1F 1875249338 VMZDORHJNMJFPA-BDAKNGLRSA-N 280.303 0.129 0 50 CCAA NC(=O)[C@H]1CCCN1C(=O)Cc1ccn(-c2ccccc2)n1 514714591 USDBNJRDKXXTDT-CQSZACIVSA-N 298.346 0.891 0 50 CCAA COC(=O)c1cc(CN2CCC[C@@H]2C(N)=O)cn1C 225637850 DTOFLGLZHMHRGP-SNVBAGLBSA-N 265.313 0.261 0 50 CCAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(O)n1 328728845 FBSZDRLRJSPUSD-LBPRGKRZSA-N 293.367 0.970 0 50 CCAA CC(C)c1nc(CN2CC[C@@](O)(Cn3ccnn3)C2)no1 671554732 NXHRNLVALUJLCF-ZDUSSCGKSA-N 292.343 0.422 0 50 CCAA COc1ncc(NC(=O)[C@H]2CCC[C@H](N)C2)cc1C(N)=O 262264223 HBRIDTBIPNIQJW-IUCAKERBSA-N 292.339 0.645 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CN(CCCc2cncn2C)C1 594015297 IGRYFXOROOXWFG-WCQYABFASA-N 281.356 0.209 0 50 CCAA O=C(c1cnsc1)N1CCC([C@@H](O)CO)CC1 1772705487 NDHKVIRFTYUWGK-JTQLQIEISA-N 256.327 0.349 0 50 CCAA NC(=O)NC(=O)CCN1CCOC2(CCCCCC2)C1 119550122 ULSKALFRPHALCL-UHFFFAOYSA-N 283.372 0.997 0 50 CCAA C[C@@H](c1nc(C2CC2)no1)N1CCN2C(=O)NC[C@H]2C1 230170319 IUNSAWFLRZVFJZ-WPRPVWTQSA-N 277.328 0.717 0 50 CCAA CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 6747191 MOGCUWCOIALRDV-QMMMGPOBSA-N 286.353 0.871 0 50 CCAA C[C@H]1CCCN(C(=O)c2ccc(C(N)=O)cc2)[C@H]1CN 237713871 OMJVHMZKEPXLRS-GWCFXTLKSA-N 275.352 0.985 0 50 CCAA O=C(C[C@H]1CCOC1)N1CCC(c2nc[nH]n2)CC1 371922945 KTWLKYVZFNKSLP-SNVBAGLBSA-N 264.329 0.937 0 50 CCAA O=C(O)Cc1ccccc1CN1CCn2ncnc2C1 846226539 OUBJVBJXUPWTHQ-UHFFFAOYSA-N 272.308 0.921 0 50 CCAA O=C(C[C@@]1(O)CCCNC1)NCC[C@H]1CCCCO1 888096647 NQEROOPZAWTGEB-OCCSQVGLSA-N 270.373 0.566 0 50 CCAA COC(=O)c1cc2c(=O)n(-c3nnc[nH]3)ccc2nc1C 12408488 UFEJIKMBEFEGTR-UHFFFAOYSA-N 285.263 0.599 0 50 CCAA C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCN(CC(C)(C)O)C2)CCN1C 2325763147 IYHZQMOEFKKGAJ-UPJWGTAASA-N 298.431 0.223 0 50 CCAA Cc1cc(=O)n2[nH]c(=NCC3=CCNCC3)sc2n1 2325799582 JIEUNILKBCNAGH-UHFFFAOYSA-N 277.353 0.213 0 50 CCAA CC(C)N(CCc1nn[nH]n1)C(=O)[C@@H]1CO[C@H](C)C1 2325808785 WPGYXMURGXMQJQ-ZJUUUORDSA-N 267.333 0.404 0 50 CCAA Cn1nc(C(=O)OCc2nn[nH]n2)cc1Cc1ccccc1 2325870048 HRAIKQUTAGGDJS-UHFFFAOYSA-N 298.306 0.881 0 50 CCAA O=C(CN1CCO[C@H]2CCC[C@H]21)NCc1ccccn1 230079880 TZDVLDZWNZCJCI-KGLIPLIRSA-N 275.352 0.951 0 50 CCAA COC(=O)c1ccccc1C(=O)N1C[C@@H](O)CO1 169061 RWKNVCIZFHCRKR-MRVPVSSYSA-N 251.238 0.222 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@@H](C)O)cc1 188455 SZILOGOOPIXJAQ-PSASIEDQSA-N 273.310 0.107 0 50 CCAA COc1ccc(CNC(=O)[C@@H]2CN(C)CC[C@@H]2O)cc1F 2356134946 JVGUYTKYFWYHTM-YPMHNXCESA-N 296.342 0.763 0 50 CCAA CCOc1ccc(N(CC(=O)O)S(C)(=O)=O)cc1 4851580 KFHXOWMQJJEKLV-UHFFFAOYSA-N 273.310 0.936 0 50 CCAA CC(=O)NCCOc1ccc(OCCNC(C)=O)cc1 4783804 KTYZFUWQMQPCMO-UHFFFAOYSA-N 280.324 0.716 0 50 CCAA Cc1nc(N2C[C@@H](C(N)=O)CC[C@H]2C)c2cnn(C)c2n1 249767418 PTWLCUDVLWEGTP-SCZZXKLOSA-N 288.355 0.762 0 50 CCAA O=C([C@H](O)CCc1ccccc1)N1C[C@@H](F)C[C@H]1CO 348792587 BKHTXSYSJQRDPU-MELADBBJSA-N 281.327 0.911 0 50 CCAA CCc1nnc(N2CCN(C(=O)N(C)C)CC2)o1 62121574 OVKYXJNWYWOUQM-UHFFFAOYSA-N 253.306 0.436 0 50 CCAA CC(=O)N(C[C@H]1CCCN1Cc1ncnn1C)C1CC1 328640802 QEYXFYBKQQGLRL-CYBMUJFWSA-N 277.372 0.790 0 50 CCAA CC(C)c1nc(CN2CCOC[C@H]2c2ncnn2C)no1 328928201 XSIJHZZUFHXPHF-JTQLQIEISA-N 292.343 0.895 0 50 CCAA O=C([C@H]1CCCN1C1CCOCC1)N1CCn2nccc21 367497040 JJQZASLOKBFRHT-CYBMUJFWSA-N 290.367 0.873 0 50 CCAA Cc1c(C(=O)N[C@H]2CC2(C)C)nnn1-c1cnn(C)c1 333055532 AJRSZXUWXMOXBC-JTQLQIEISA-N 274.328 0.838 0 50 CCAA N=c1nc(-n2cccn2)cc(N2CC(F)(F)C[C@@H]2CO)[nH]1 368718285 GKYGBWBHSYHIFB-MRVPVSSYSA-N 296.281 0.281 0 50 CCAA Cc1nc(CN(C)[C@H]2CCN(C(=O)C3(C)COC3)C2)no1 374678244 LASRKDPVRXMUNN-NSHDSACASA-N 294.355 0.447 0 50 CCAA Cc1c[nH]c(CN(C)c2nc(N)nc3c2CCNCC3)n1 72472913 DYKJUVYNRMBVDR-UHFFFAOYSA-N 287.371 0.415 0 50 CCAA COCCOCC(=O)N[C@@H]1CCCN(c2cnccn2)C1 219841649 TYIHAWVHENRALY-GFCCVEGCSA-N 294.355 0.225 0 50 CCAA CCc1nc(CCNC(=O)Cc2ccccn2)no1 222823066 DTMAKSCHWBPLBZ-UHFFFAOYSA-N 260.297 0.928 0 50 CCAA C[C@H](C(=O)NC1(C(N)=O)CCCC1)n1ccnc1 426541738 XANXYTZBARILHY-SECBINFHSA-N 250.302 0.358 0 50 CCAA CN(Cc1cnccn1)c1cc(C2CC(O)C2)nc(N)n1 220079306 HGGLISFPBUSENW-UHFFFAOYSA-N 286.339 0.724 0 50 CCAA Cn1cc(CCNC(=O)N2CCSCC2)cn1 46993611 XGMMMLWKOLYDMB-UHFFFAOYSA-N 254.359 0.721 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)CCn1ccnc1 426388201 TZWXNBWKHSSRPR-NSHDSACASA-N 292.343 0.389 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cnc[nH]1 223123132 OWUICKVLEDHJSB-URPMGSGRSA-N 251.286 0.189 0 50 CCAA CC[C@H]1C(=O)NCCN1C(=O)NCc1cc(C)[nH]n1 426478766 MKKSTVPAJBOZMG-JTQLQIEISA-N 265.317 0.138 0 50 CCAA Cc1ccc(CN2C[C@H](CO)[C@H](CN(C)CCO)C2)o1 91586989 GQAZGWVQSZEZFI-ZIAGYGMSSA-N 282.384 0.552 0 50 CCAA OCCn1nc(-c2ccco2)nc1C[C@H]1CNCCO1 97784723 MCMKXEMAAMAENR-JTQLQIEISA-N 278.312 0.061 0 50 CCAA CCCn1ncc(CN2CCO[C@@H](C(N)=O)C2)c1C 97696393 IGNKRIOFEHJEBX-GFCCVEGCSA-N 266.345 0.288 0 50 CCAA C[C@@H](N)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91650197 KYTLGWPMGIROJP-SNVBAGLBSA-N 288.351 0.759 0 50 CCAA CCn1cc(O[C@@H]2CN(C[C@H](O)C(C)C)C[C@H]2O)cn1 625612751 HEQFKQHWMZNDQH-BFHYXJOUSA-N 283.372 0.344 0 50 CCAA CCc1noc(C)c1C(=O)Nc1cnn(CC(=O)NC)c1 343578487 KROFZTUXTZPTSV-UHFFFAOYSA-N 291.311 0.740 0 50 CCAA NC(=O)[C@@H](O)C1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 299747966 FPGOSBNVPZTOMR-KGLIPLIRSA-N 296.342 0.417 0 50 CCAA O=S(=O)(CCN1C[C@@H]2NCCO[C@H]2C1)c1ccccc1 534648013 AHXODRCNAOCUNC-KBPBESRZSA-N 296.392 0.133 0 50 CCAA CCCn1nccc1S(=O)(=O)N1CCC[C@H](CN)C1 534648383 GYWODAHLMOXUPJ-LLVKDONJSA-N 286.401 0.653 0 50 CCAA CCN1C[C@H](NC(=O)Cc2c(C)n[nH]c2C)CC1=O 452987848 KUOIICISKSQUCL-SNVBAGLBSA-N 264.329 0.306 0 50 CCAA O=C(CCCN1CCOCC1)NC[C@H]1CCOC1 828022273 OBGVMPZDSBPBNB-GFCCVEGCSA-N 256.346 0.252 0 50 CCAA COCCn1cnnc1CN[C@@H](C)Cn1ccnc1C 584898156 INKZIXABXCIQFR-NSHDSACASA-N 278.360 0.608 0 50 CCAA C[C@H](Cn1cncn1)C(=O)NCCc1ccncc1 827628066 OGKHAHFGYZUORY-LLVKDONJSA-N 259.313 0.668 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1oc(CC)nc1C 584893285 LFYWMEAJAQYILX-QWRGUYRKSA-N 281.356 0.994 0 50 CCAA O=C(CN1CCCC1)NCCCc1nnc2ccccn12 670444707 ZAKQSUYQVTWSLP-UHFFFAOYSA-N 287.367 0.874 0 50 CCAA CNC(=O)C[C@H]1CCN(C(=O)c2ccn(C)c2C)C1 670452573 DOOLOPGWWIOGJQ-LLVKDONJSA-N 263.341 0.932 0 50 CCAA CC1(C)CN(C(=O)[C@@H](O)c2cnc[nH]2)C[C@]2(CCOC2)O1 867951607 PTKTYTYZYAXHOK-FZMZJTMJSA-N 295.339 0.240 0 50 CCAA Cc1nc(N2CCN(CC3CCOCC3)CC2)n[nH]1 874434850 GCWCETUHXUVJPD-UHFFFAOYSA-N 265.361 0.662 0 50 CCAA O=C(NOC1CCC1)[C@H]1CCCN1C(=O)c1cnccn1 1875260786 BSMSUXKIAIXMTJ-GFCCVEGCSA-N 290.323 0.682 0 50 CCAA C[C@@H]1CN(Cc2cc(C3CCNCC3)no2)CCN1 1875266305 WSYZCXRSFGXPGU-LLVKDONJSA-N 264.373 0.935 0 50 CCAA COC(=O)/C=C/CNC(=O)Cn1nc(C)cc1C(F)F 1875273042 ZEJXFSKABWNELX-ONEGZZNKSA-N 287.266 0.975 0 50 CCAA Cc1ccc2c(CCC(=O)N[C@H]3CC(=O)NC3=O)c[nH]c2c1 1875295007 AVDTXRJXHLEUOD-ZDUSSCGKSA-N 299.330 0.940 0 50 CCAA C=CC(=O)N1CC(C(=O)N[C@@H]2CCc3cnn(C)c3C2)C1 1875387609 PNUGNMSLALPHBE-GFCCVEGCSA-N 288.351 0.038 0 50 CCAA COc1cc(C(=O)N[C@@H]2C[C@H](O)[C@H]2CC(=O)O)ccc1C 1875312994 FLMGFCJWBRWMMZ-TUAOUCFPSA-N 293.319 0.958 0 50 CCAA O=C(Cc1cc(O)nc(O)n1)NC[C@@H]1C[C@H](O)C12CCC2 1875304707 RKAQUIVIWOAKJM-WPRPVWTQSA-N 293.323 0.098 0 50 CCAA COc1cc(F)c(CNCc2nc(O)n[nH]2)cc1OC 952970738 FHWHOUFCAJZBAJ-UHFFFAOYSA-N 282.275 0.956 0 50 CCAA CCN(CC)CCN1CCN(C(=O)c2ccnn2C)CC1 952970689 UBVHEXVVLLTEBO-UHFFFAOYSA-N 293.415 0.520 0 50 CCAA COC[C@H]1COCCN1C(=O)Cn1ncc2cccnc21 886855182 JKHWOCUZVMPORM-LBPRGKRZSA-N 290.323 0.305 0 50 CCAA CC(C)n1cc(C(=O)N2CCS(=O)(=O)CCO2)cn1 1773809418 XZXUQDAZQRRKGX-UHFFFAOYSA-N 287.341 0.266 0 50 CCAA Cc1n[nH]cc1CN[C@H]1COC[C@H]1Oc1cnn(C)c1 888094512 XQNOZVAJYPEDGV-QWHCGFSZSA-N 277.328 0.388 0 50 CCAA CN1C(=O)c2ccc(S(=O)(=O)NC3(C)CC3)cc2C1=O 1318633987 ABSLXXRRNTVZFK-UHFFFAOYSA-N 294.332 0.743 0 50 CCAA Cc1c([C@@H](C)NS(=O)(=O)C2COC2)cnn1C 276856063 FNNFIQMOODYXIN-SSDOTTSWSA-N 259.331 0.108 0 50 CCAA Cc1cc(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)ccc1F 585116763 HQVXAPGZSPIOGF-QWRGUYRKSA-N 279.315 0.153 0 50 CCAA C[C@@]1(C(=O)NCC2(CO)CCCC2)CCC(=O)NC1 407956117 IPJSODRQDQBSCR-CYBMUJFWSA-N 268.357 0.572 0 50 CCAA COC[C@H]1CN(C(=O)c2noc(C)n2)CC(C)(C)O1 408027945 QBTIEAAVUGMPTD-SECBINFHSA-N 269.301 0.644 0 50 CCAA CC(C)n1nnnc1Cn1nc(C(F)(F)F)ccc1=O 225509015 DWVUWVNZCIUYNW-UHFFFAOYSA-N 288.233 0.878 0 50 CCAA COC(=O)N1CCC[C@@H](C(=O)N2CC(=O)N(C)[C@H](C)C2)C1 225742099 YJDGWNDFNUYZPK-GHMZBOCLSA-N 297.355 0.154 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1ccncc1F 643941517 JCBMRRXFXUOQCV-ZDUSSCGKSA-N 281.287 0.327 0 50 CCAA CCN1CN(CCCN2CCN(C(C)C)CC2)CC1=O 192847624 FNHHYKDUXPRUDX-UHFFFAOYSA-N 282.432 0.524 0 50 CCAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C1CC1 652123605 VAZUNLURHXCZME-AXFHLTTASA-N 253.298 0.735 0 50 CCAA O=C(CNC(=O)c1ccc(F)cc1F)O[C@H]1CCNC1=O 769954662 VRICOCNMZVUBBS-JTQLQIEISA-N 298.245 0.126 0 50 CCAA COc1nccnc1N(C)C[C@H](C)N1CCOCC1 1506402817 PRVDGVUQOQXSDT-NSHDSACASA-N 266.345 0.642 0 50 CCAA Cc1nc2c(N3CC4(CNC(=O)N4C)C3)ncnc2o1 1857726902 FHAJPUFRGSWPII-UHFFFAOYSA-N 274.284 0.140 0 50 CCAA CCc1c(C(=O)N[C@H]2CCNC23CCC3)nnn1CC 1614994536 AISZTNQXCMRNSU-NSHDSACASA-N 277.372 0.875 0 50 CCAA CC(C)N(C)C(=O)N[C@H]1CC(=O)N(c2cnn(C)c2)C1 1615586892 RGMQSLFAEHDRSF-JTQLQIEISA-N 279.344 0.575 0 50 CCAA CCn1ncnc1CN1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616069467 IXDJAJATOPMOKE-JSGCOSHPSA-N 287.367 0.728 0 50 CCAA O=C(N[C@@]12CCC[C@@H]1NCC2)c1ccc2c(n1)CNCC2 1646780587 COUJFQQXOOSAQZ-GOEBONIOSA-N 286.379 0.742 0 50 CCAA OC1CCN(C2CCN(CC[C@@H]3COCCO3)CC2)CC1 1775978862 WQSAUOSEFTZNEA-MRXNPFEDSA-N 298.427 0.713 0 50 CCAA O=C(CCCn1cncn1)NCc1[nH]nc2ncccc12 1772806491 FSFFSBINBYDFCC-UHFFFAOYSA-N 285.311 0.646 0 50 CCAA COC(=O)CCNC(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 11703297 NXCYTKRWWSZQKH-NSHDSACASA-N 296.367 0.847 0 50 CCAA COC(=O)c1cncnc1N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857727748 ZICYUDJPEJCTDE-ADEWGFFLSA-N 293.323 0.239 0 50 CCAA O[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1Cc1ccccn1 1875245115 KRDXDHNSKFCVQD-ZYHUDNBSSA-N 296.334 0.788 0 50 CCAA CN(C(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1)C1CCCC1 242047801 VQFNECXNFWMELW-NWDGAFQWSA-N 281.356 0.570 0 50 CCAA C[C@H](C(=O)N[C@H](Cc1ccncc1)C(=O)O)n1cncn1 655597161 NZGLYIDRHJDYQB-MWLCHTKSSA-N 289.295 0.046 0 50 CCAA CC(C)n1cc(CN2CC[C@@](O)(Cn3ccnn3)C2)cn1 671491286 AWRCNWRLQAFHOA-AWEZNQCLSA-N 290.371 0.693 0 50 CCAA CCCNC(=O)CCNC(=O)N1CC[C@@]2(CCOC2)C1 158379864 NOHYGBFLNLSOFZ-CQSZACIVSA-N 283.372 0.725 0 50 CCAA COC[C@]1(C)NC(=O)N(c2ccc(F)cn2)C1=O 900196446 ZZFLLLVLAAUDAW-NSHDSACASA-N 253.233 0.682 0 50 CCAA Cc1cnc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)nc1N 1704307490 HNVHGDIKRGJTCE-IUODEOHRSA-N 291.399 0.650 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2[nH]ccc2C)C1 818486838 JDEXSCBYYLCMNM-AWEZNQCLSA-N 279.340 0.426 0 50 CCAA CC[C@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)O)cc1 110693401 BDDHVOAIRVYQPW-NSHDSACASA-N 276.292 0.735 0 50 CCAA Cc1nc(C)n(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 116899735 ZTRBMDPUSBSWRA-LLVKDONJSA-N 272.374 0.567 0 50 CCAA CNS(=O)(=O)CCCN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 408257237 RMYBGCYMKCKCBG-WRWGMCAJSA-N 274.386 0.035 0 50 CCAA CN(C)[C@H]1CN(C(=O)c2ccncc2Cl)C[C@@H]1O 567177611 MFGZBLLWNCYFHV-QWRGUYRKSA-N 269.732 0.482 0 50 CCAA CCn1nncc1CNC(=O)N1CC[C@](C)(C(=O)O)C1 529225287 QMSULDHKBXEVSL-LBPRGKRZSA-N 281.316 0.304 0 50 CCAA Cc1cc(CNC(=O)[C@@H]2CCCNCC2)n(C)n1 96179544 MVYAPCQRAZDWDO-LLVKDONJSA-N 250.346 0.734 0 50 CCAA COCC(=O)N1CCC[C@H](N2CCCCC2=O)C1 370984631 IJSQTOKGXUSGTE-NSHDSACASA-N 254.330 0.636 0 50 CCAA Cc1ncc(CN(C)CC(=O)N2CCN(C)CC2)o1 931489057 XZGPSHBIUAFIJQ-UHFFFAOYSA-N 266.345 0.189 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(C)c1 647886220 HDAHUKURUZHETN-STQMWFEESA-N 298.408 0.599 0 50 CCAA O[C@@H]1C[C@@H](O)C12CCN(c1ncnc3[nH]ccc13)CC2 2325792938 XFLWMXWAMORWJV-GHMZBOCLSA-N 274.324 0.670 0 50 CCAA CO[C@H](C(=O)NC[C@H]1CNC(=O)C(C)(C)C1)C1CC1 2325800674 AVTXDLKXBYUSEL-ONGXEEELSA-N 268.357 0.690 0 50 CCAA COC1(C(=O)N2C[C@H](CO)c3ccccc32)CC(N)C1 2325801837 XZTWLRQWROSPTI-RWWNRMGGSA-N 276.336 0.615 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(C1)NCCCNC2=O 2325712066 BMKICCVSXWDFGF-ZDUSSCGKSA-N 269.345 0.476 0 50 CCAA NC(=O)CCn1c(=S)n(CCC(N)=O)c2ccccc21 439224 HJWJVKQULWCKTL-UHFFFAOYSA-N 292.364 0.923 0 50 CCAA Cc1cc(C)n(CCN[C@@H](C)CN2CCOCC2)c(=O)n1 67514713 DRAPGPNURGPHNE-ZDUSSCGKSA-N 294.399 0.170 0 50 CCAA COCCN1CC[C@@H](CNc2nccc(OC)n2)C1 68321389 GLZGIKKJMCRFTB-NSHDSACASA-N 266.345 0.865 0 50 CCAA CN(C)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1O 647885236 LHCULXMHOMECNA-RYUDHWBXSA-N 288.344 0.121 0 50 CCAA O=C1NC(=O)[C@H](Cc2nc(CCc3ccccc3)n[nH]2)N1 65395906 UIWHYEPMJCWUHN-JTQLQIEISA-N 285.307 0.340 0 50 CCAA Cc1[nH]nc(CCC(=O)N[C@@H]2CC[C@@H](N)C2)c1C 67908089 SBAHOJLJQFZOQS-GHMZBOCLSA-N 250.346 0.955 0 50 CCAA C[C@H]1CCCN(Cc2nc(N)nc(N(C)C)n2)[C@@H]1CCO 521398736 OFEKFNOVALGTOY-WDEREUQCSA-N 294.403 0.503 0 50 CCAA CCN1CCO[C@@H](C(=O)N[C@H]2CCN(CC3CC3)C2)C1 252669866 IWDZGRNFMZPJEF-UONOGXRCSA-N 281.400 0.308 0 50 CCAA CNC(=O)c1ccc(/C=C/C(=O)N2CCNC[C@H]2C)cc1 124927175 ZLTCFXSNYLDAPA-FZKGZDJFSA-N 287.363 0.880 0 50 CCAA CC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)c1ccccc1 236816434 VFRURYMCBARRQA-STQMWFEESA-N 290.319 0.939 0 50 CCAA Cn1cnc(C(=O)N2CCC[C@@](C)(C(=O)O)C2)c1 236094119 PAPZUALNHVNEQJ-GFCCVEGCSA-N 251.286 0.747 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CN)CCO1 237522897 JZDYPJYCONTCGN-UTUOFQBUSA-N 291.417 0.011 0 50 CCAA OC[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C[C@@H]1O 72172845 GINUAIBRHCTRIC-OLZOCXBDSA-N 289.335 0.912 0 50 CCAA CN1C[C@@]2(CCN(Cc3cccnc3N)C2)OC1=O 72478212 HJBSAMYKIGIRBO-CYBMUJFWSA-N 262.313 0.690 0 50 CCAA CC[C@@H](NC(=O)CNS(C)(=O)=O)c1cccs1 49034126 SLQJNYXUXJCNJY-MRVPVSSYSA-N 276.383 0.865 0 50 CCAA Cc1c[nH]c(CSc2nnc(CN)n2C)c(C)c1=O 426493185 MUKHBIXUJNBRJM-UHFFFAOYSA-N 279.369 0.871 0 50 CCAA COC(=O)c1ccc2c(c1)S(=O)(=O)N=C(O)N2C 44126588 ALNVPAMELIPOLT-UHFFFAOYSA-N 270.266 0.526 0 50 CCAA COCCc1nc(CNC(=O)[C@H](C)n2cccn2)no1 426443102 FKYASPSYJVBXNU-VIFPVBQESA-N 279.300 0.332 0 50 CCAA C[C@@H](CCC(=O)NCc1nnc(N)s1)N1CCCC1 426545444 ZHFGJQIUWMAUIO-VIFPVBQESA-N 283.401 1.001 0 50 CCAA O=C(N[C@@H]1CCO[C@@H]1C(=O)O)c1ccc2n[nH]cc2c1 703005053 MSCKWGHDCUSRNZ-MNOVXSKESA-N 275.264 0.535 0 50 CCAA Cc1ccc(CCC(=O)N2CCO[C@H](C(=O)O)C2)o1 237677054 OECWZTCMHDQHIL-NSHDSACASA-N 267.281 0.833 0 50 CCAA CNc1cc(C(=O)NCCNC(=O)c2cccnc2)ccn1 97601089 UPAPAZZAWGTPDC-UHFFFAOYSA-N 299.334 0.678 0 50 CCAA CC(=O)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@H]1O2 245623699 CFUQTAAKCYZQAS-MROQNXINSA-N 266.341 0.824 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2ccc3oc(O)nc3c2)CCN1 534676859 PEXJXZACBCVNJT-MRVPVSSYSA-N 297.336 0.516 0 50 CCAA CN(C)[C@H]1CN(C(=O)Nc2ccccc2F)C[C@@H]1O 97172890 NTNCFCYXQBRNBP-RYUDHWBXSA-N 267.304 0.964 0 50 CCAA O=C(NCc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1 299780626 BXEHFMXSROBIKN-QMMMGPOBSA-N 299.377 0.447 0 50 CCAA CN(C)C1=NC2(CCN(C(=O)c3ccoc3)CC2)C(=O)N1 823652362 AZQLJGBNPJNZCQ-UHFFFAOYSA-N 290.323 0.302 0 50 CCAA COc1cc(OC)nc(N2CCN3C(=O)OC[C@H]3C2)n1 496055236 FPQWYXHLHVIYAX-MRVPVSSYSA-N 280.284 0.135 0 50 CCAA Nc1nc(CCCNC(=O)NCC(=O)O)cs1 827587188 QGKFNENFNINGCZ-UHFFFAOYSA-N 258.303 0.042 0 50 CCAA COCCOC1CCN(Cc2c[nH]nc2C(=O)O)CC1 670441080 GDLQIGZBEBHZCQ-UHFFFAOYSA-N 283.328 0.735 0 50 CCAA Cc1cc(O)nc(CCNC(=O)Cc2c(C)noc2C)n1 584891465 XWPMZSMLAVLVIM-UHFFFAOYSA-N 290.323 0.997 0 50 CCAA Cc1ncc(C(=O)N2CC[C@@H]([C@@H](F)C(=O)O)C2)c(C)n1 1548600648 QIBZSQUQUMKTPS-MWLCHTKSSA-N 281.287 0.978 0 50 CCAA NS(=O)(=O)C1CN(c2cc(Br)ccn2)C1 1875286832 IWPKCPMGZFLOSP-UHFFFAOYSA-N 292.158 0.321 0 50 CCAA Cc1ccc(C(=O)O)c(N2CC(=O)N(C)[C@@H](C)C2)n1 1506408582 NJOXKHUWQVPPBT-VIFPVBQESA-N 263.297 0.755 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCCCC(=O)OC)CC1 1875365663 MXFHKMOVNOGTHT-UHFFFAOYSA-N 282.340 0.480 0 50 CCAA CN=c1ccc(C(=O)N2CCC[C@@H]3C[C@@]32C(N)=O)c[nH]1 1875369788 HWROMOZHBLWJGH-YGRLFVJLSA-N 274.324 0.025 0 50 CCAA COCc1noc(CN2CCc3nnc(OC)cc3C2)n1 952888328 VRHSZLWLMSXPJD-UHFFFAOYSA-N 291.311 0.573 0 50 CCAA CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)C(=O)O 952989884 YUXMKYBAFJEQMV-IUCAKERBSA-N 271.317 0.145 0 50 CCAA NC(=O)C12CC(CN1C(=O)c1cnn(C3CC3)c1)C2 888100543 GUDKXCXHUZRTCX-UHFFFAOYSA-N 260.297 0.308 0 50 CCAA O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cncnc2)C1 273821946 OQGDXPDYGAUCRP-LBPRGKRZSA-N 288.351 0.855 0 50 CCAA Cc1nnnn1CCCN1C[C@H](C(=O)O)[C@@H](C(C)C)C1 1073391699 WMNBHQHKLQVNBS-NEPJUHHUSA-N 281.360 0.660 0 50 CCAA COC(=O)CCc1nnn(CCc2scnc2C)n1 585118496 QVUSHKWZOIXFLB-UHFFFAOYSA-N 281.341 0.786 0 50 CCAA COC[C@@]1(C(N)=O)CCCN1Cc1nnc(C2CC2)n1C 643824960 GPPTZZPIYQRKKD-CQSZACIVSA-N 293.371 0.159 0 50 CCAA O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@H]1CCCCO1 655600358 DNMXBGHWXCRYBW-NWDGAFQWSA-N 278.308 0.763 0 50 CCAA CO[C@H]1COC[C@@H]1Nc1nc(SC)ncc1C(=O)O 1506428389 QIQVBHZSNWJFCZ-YUMQZZPRSA-N 285.325 0.722 0 50 CCAA COCCN1C[C@@H](CNc2ccc(C(=O)O)nn2)CC1=O 1506422207 OXRDMAMUCWCGSM-SECBINFHSA-N 294.311 0.082 0 50 CCAA CC1=C(C(=O)NCc2noc([C@@H]3CCCO3)n2)OCCO1 1506402342 XBVMIFSWVMWNFQ-VIFPVBQESA-N 295.295 0.816 0 50 CCAA CCNC(=O)c1ccnc(NCC(=O)NC(C)C)c1 1529147430 ZGUXLMDPGGAXOD-UHFFFAOYSA-N 264.329 0.768 0 50 CCAA CCOC(=O)C1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 113812985 TYHWSMCZSPERFP-UHFFFAOYSA-N 272.301 0.272 0 50 CCAA in-vitro CC[C@H](C)N(CC(=O)O)C(=O)[C@H]1CCC(=O)NC1 123636808 GCPFDCODIUCNKI-IUCAKERBSA-N 256.302 0.224 0 50 CCAA CC(C)c1noc(Cn2nnc3c(cnn3C)c2=O)n1 331908418 RJDWBJSKILPHLZ-UHFFFAOYSA-N 275.272 0.080 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(C)on1 643945312 BNNBPRZQIMIDTD-LBPRGKRZSA-N 267.285 0.090 0 50 CCAA CN1CCN(C[C@H](O)COCc2ccccc2)CC1 19338593 GFQWQJFWBPPOSA-HNNXBMFYSA-N 264.369 0.812 0 50 CCAA CN(C)CC(=O)N1CCC[C@@H](NCC(F)(F)F)C1 1615586831 SXEOJNMFVHIMFJ-SECBINFHSA-N 267.295 0.691 0 50 CCAA Cc1cc(C)nc(CNC(=O)N2CC[C@@H]3CNC[C@@H]32)n1 1615718187 BPNXYFASWJPCFX-NEPJUHHUSA-N 275.356 0.597 0 50 CCAA O=C(CCc1ccc(F)cc1)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875243873 BVQSMBJVXDDVKX-QHSBEEBCSA-N 295.310 0.402 0 50 CCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc(CO)c1 336093035 WLQBGQTVBVTAKQ-JOYOIKCWSA-N 262.309 0.576 0 50 CCAA CN(C)c1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)cn1 1704336858 SNKDWFOEHRWMDS-OLZOCXBDSA-N 290.367 0.094 0 50 CCAA O=C1NCCN1CC1CCN(S(=O)(=O)C2CC2)CC1 907496825 DCDKOMPIDJIRQD-UHFFFAOYSA-N 287.385 0.216 0 50 CCAA CCc1cc(N2CC[C@](O)(CN(C)C)C2)ncn1 713651438 WGIOYGLFRZMBKC-ZDUSSCGKSA-N 250.346 0.542 0 50 CCAA CO[C@@H]1COC[C@H]1NC(=O)c1ccc(F)c2c1OCC2 2325811694 WGNBTIBXQGCBJT-VXGBXAGGSA-N 281.283 0.904 0 50 CCAA CC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 296156 HXZXWJYSSQOLKS-UHFFFAOYSA-N 271.323 0.902 0 50 CCAA CCOC(=O)CSCC[C@H]1N[C@@H](C(=O)O)CS1 1846340 IKOCLISPVJZJEA-SFYZADRCSA-N 279.383 0.789 0 50 CCAA in-man CCn1cc(S(=O)(=O)Nc2nccc(C)n2)cn1 6706464 FNZIKLLYVKVDOQ-UHFFFAOYSA-N 267.314 0.802 0 50 CCAA CC(C)Nc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1 9470059 BRXMBWRREMXIRP-UHFFFAOYSA-N 291.315 0.634 0 50 CCAA CCOCC1(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)CC1 346700827 RCRKSJOJPXNXFK-STQMWFEESA-N 284.400 0.981 0 50 CCAA CNC(=O)Cn1cc(NC(=O)CN2CCCCCC2)cn1 51093132 KXYVSNAACFAYEN-UHFFFAOYSA-N 293.371 0.444 0 50 CCAA COCCNC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10334830 YXZZHTASWDRTPY-UHFFFAOYSA-N 286.353 0.743 0 50 CCAA Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@@]1(C)CCCO1)C2 67712758 CCTPLCIYDYNSTO-CQSZACIVSA-N 293.323 0.572 0 50 CCAA CN1CCN(S(=O)(=O)C2CC2)C[C@@H]1c1ncc[nH]1 328625937 LEHPPCWDUQJZJO-SNVBAGLBSA-N 270.358 0.190 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3C[C@@H]32)cn1C 521394167 GKFWRMDRZTXSBS-ONGXEEELSA-N 297.380 0.558 0 50 CCAA O=C1CCCC[C@@H](CC(=O)N2[C@H]3COC[C@H]2C3)N1 333529207 XTTAZIUFEIIUKT-HBNTYKKESA-N 252.314 0.435 0 50 CCAA CCS(=O)(=O)C1CN(C(=O)c2ccc(F)cc2O)C1 332011931 SWQUNRGTQKNRIH-UHFFFAOYSA-N 287.312 0.790 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCCC[C@@H]1C(=O)OC 371579731 LNXJYIZTKCVMCI-LLVKDONJSA-N 282.340 0.623 0 50 CCAA O=C(c1cccc2c1OCO2)N1C[C@@H](F)C[C@H]1CO 372553241 AQBJRYMDUUWTGA-IUCAKERBSA-N 267.256 0.960 0 50 CCAA Cc1ccc(C)c(S(=O)(=O)N2CCNCC2)c1 36115806 UNCDXZPJNCWORR-UHFFFAOYSA-N 254.355 0.897 0 50 CCAA O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@H](O)C1 216092799 FJQKSYDEDYDHLB-LBPRGKRZSA-N 258.281 0.474 0 50 CCAA O=C(CO)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 72172621 BLGPXKGPIAYTRE-LBPRGKRZSA-N 280.299 0.078 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CC[C@]2(CC(=O)NC2=O)C1 77388719 UAEGGIUJSCREEM-ZDUSSCGKSA-N 295.726 0.557 0 50 CCAA COC(=O)N[C@@H](C)C(=O)NCC1(Cn2ccnc2)CC1 220678169 NSQLFRMZXYSJKQ-JTQLQIEISA-N 280.328 0.524 0 50 CCAA Cc1nc(N2CC[C@@H](Nc3ncccn3)[C@H](O)C2)no1 426552236 DKDXLLCPHWIWEA-NXEZZACHSA-N 276.300 0.220 0 50 CCAA O=C(NC[C@H]1CC[C@@H](CO)O1)c1ncccc1F 615237407 FBHAAMBIFIYUCH-BDAKNGLRSA-N 254.261 0.490 0 50 CCAA CO[C@@H]1CN(CCn2ccnc2C)C[C@H]1c1cnn[nH]1 621316195 HWSYJCAQICJPDP-WCQYABFASA-N 276.344 0.424 0 50 CCAA CS(=O)(=O)CCN1C[C@@H](C(=O)O)[C@H](c2ccncc2)C1 91444875 RSNXHSJDFGWTPR-NWDGAFQWSA-N 298.364 0.226 0 50 CCAA O=C(C[C@@H]1CCc2ccccc21)N(CCO)CCO 97655323 KJDFXXYKWWRAMZ-ZDUSSCGKSA-N 263.337 0.920 0 50 CCAA Cn1ccc(C(=O)NCC2(CO)CCOCC2)c1 269628373 UPDLGAPEWQHFTH-UHFFFAOYSA-N 252.314 0.544 0 50 CCAA CN1CCCN(c2cc([C@H]3C[C@@H](N)C3)ncn2)CC1 244673831 HWJPTRJMZFTYMS-TXEJJXNPSA-N 261.373 0.823 0 50 CCAA Cn1c(=O)n2n(c1=O)[C@H]1C[C@H]2[C@@H]2C3CCC(CC3)[C@@H]12 248065117 VZEYQDKAECHXEM-GVNNGGGJSA-N 261.325 0.900 0 50 CCAA Cc1ncc(S(=O)(=O)N(CC(=O)O)CC(C)C)n1C 629301437 RSLDGXPMSRNPOU-UHFFFAOYSA-N 289.357 0.460 0 50 CCAA O=C(Cn1cccc1)NCC1(CO)CCOCC1 534667039 APOAQHQELUAUQB-UHFFFAOYSA-N 252.314 0.393 0 50 CCAA O=C(NC1(CN2CCCC2)CCCCC1)[C@@H]1CNCCO1 534664636 SYIRENBZRBUUPQ-AWEZNQCLSA-N 295.427 0.890 0 50 CCAA CC(C)c1nccn1[C@@H](C)C(=O)NCCn1ccnn1 534592788 DLQCCIIPYVVBDG-NSHDSACASA-N 276.344 0.975 0 50 CCAA O=C(NC[C@H]1CCCCN1C(=O)CO)c1ccccc1 270840296 VMPWHLPLMOBWBC-CYBMUJFWSA-N 276.336 0.790 0 50 CCAA CC(C)n1cnnc1[C@H](C)NS(=O)(=O)c1cnn(C)c1 670458327 DPDJTBSETDXQGE-VIFPVBQESA-N 298.372 0.632 0 50 CCAA CCOC1CC(C(=O)N[C@H]2CCO[C@H]2c2nc[nH]n2)C1 952888753 OUDAPVIPCVFPEY-WFBLGPOFSA-N 280.328 0.566 0 50 CCAA O=C(NC1[C@@H]2CCCC[C@@H]12)[C@@H]1CC[C@H](C(=O)O)O1 1875260434 QWWSTDVOZYIBRI-DOLQZWNJSA-N 253.298 0.923 0 50 CCAA COC(=O)/C=C/CNC(=O)Cn1c(C)c(C)sc1=O 1875273280 LETDXIKJDUJRFA-SNAWJCMRSA-N 284.337 0.372 0 50 CCAA O=S1(=O)CCN(c2noc(-c3ccccc3)n2)CCN1 1875294130 BIAYDWAEAQWEGD-UHFFFAOYSA-N 294.336 0.476 0 50 CCAA CCOC1(C(=O)NC/C=C/C(=O)OC)CCOCC1 1875333464 WMGIFXDPVYCYMR-SNAWJCMRSA-N 271.313 0.418 0 50 CCAA C=CC(=O)N1CC(C(=O)NCc2noc(C3CC3)n2)C1 1875386872 BMXWJZOCSJPHBJ-UHFFFAOYSA-N 276.296 0.208 0 50 CCAA O=c1c2ccc(F)cc2nnn1C[C@H](O)C(F)(F)F 887268901 XWDPTILNUGKIFD-QMMMGPOBSA-N 277.177 0.854 0 50 CCAA Cc1ncc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)[nH]1 1775961347 UPXDSCJVSZGWJQ-GHMZBOCLSA-N 288.273 0.990 0 50 CCAA Cn1nc(C(=O)N[C@@H]2CCNC23CCC3)cc1O 1354383149 ZBOXYWPLPUQPSJ-SECBINFHSA-N 250.302 0.140 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)NCCc1nc(=O)o[nH]1 280040688 GHSYJAWCVFZCOV-DTWKUNHWSA-N 269.301 0.227 0 50 CCAA NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 408064867 YGXSFIYYYQZDNK-IYKVGLELSA-N 266.341 0.714 0 50 CCAA C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CNCCO1 188233641 KIOZMKYCMNLWEG-SWLSCSKDSA-N 289.379 0.842 0 50 CCAA CC(C)(NC(=O)c1ccc2c(c1)COB2O)c1ncc[nH]1 584996411 GYWYBGBMHGNOSS-UHFFFAOYSA-N 285.112 0.293 0 50 CCAA CCn1c(C(=O)N[C@@H](CO)C(=O)NC)cc2ccccc21 225604174 IMRUMQXQNQORNY-NSHDSACASA-N 289.335 0.498 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1CCC(C)(C)O 643829316 WKQULGFCZVXSDU-CYBMUJFWSA-N 258.362 0.374 0 50 CCAA Cn1cc(CCC(=O)NCc2ccc(C(=O)O)cc2)nn1 659115476 AMWGYAPCLIENRG-UHFFFAOYSA-N 288.307 0.762 0 50 CCAA O=S1(=O)C=C[C@@H]2ONC(c3cccc(O)c3)=C21 669385188 JCUOMFNMABQYNE-VIFPVBQESA-N 251.263 0.906 0 50 CCAA CCN(C)C[C@@H](C)C(=O)N(CCO)Cc1ncc[nH]1 1704314125 OWXXKIADLIUCFD-LLVKDONJSA-N 268.361 0.318 0 50 CCAA CC[C@]1(O)CCN(c2nccnc2N2CCCC2)C[C@@H]1O 212449198 ORBUEKUMASHUGH-WFASDCNBSA-N 292.383 0.789 0 50 CCAA CCN1CC[C@H](NC(=O)C(C)(C)CO)C(F)(F)C1 1615614499 ICPJVGYVGPKRPY-VIFPVBQESA-N 264.316 0.851 0 50 CCAA CCN1C[C@@H](C)[C@@H](NS(=O)(=O)N2CCCC2)C1 229310478 KOTXHQUPBUQKAQ-MNOVXSKESA-N 261.391 0.257 0 50 CCAA COC[C@@H](C)S(=O)(=O)NC[C@@H]1CCn2ccnc2C1 328627113 MJUFTAWBVWALHL-GHMZBOCLSA-N 287.385 0.400 0 50 CCAA Cc1c(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)ccc2cncn12 1645741989 GMGQIVCXNSUBKI-MRXNPFEDSA-N 298.346 0.995 0 50 CCAA O=C(N[C@H](CCO)C(F)(F)F)c1ccc(O)cn1 1645532529 XZASBZQIUCDDAE-MRVPVSSYSA-N 264.203 0.830 0 50 CCAA O=C(NCCN1CCOC1=O)c1cccc2c1OCC2 19301105 IMNRDZVUXJFSBE-UHFFFAOYSA-N 276.292 0.804 0 50 CCAA O=C(NCc1cc[nH]n1)[C@@H]1NCCOc2ccccc21 1646729645 SIWQSZNIXUFVAO-CYBMUJFWSA-N 272.308 0.749 0 50 CCAA Cn1ccn2c(CN3CC[C@H](O)C(C)(C)C3)nnc2c1=O 1857528397 UTSUWRZRJXEIEQ-JTQLQIEISA-N 291.355 0.021 0 50 CCAA CCn1nnc(=NC(=O)CCc2ccc3c(c2)OCO3)[nH]1 1875250602 PNRHFZCXZFILIX-UHFFFAOYSA-N 289.295 0.415 0 50 CCAA C[C@@H]1CN(C(=O)COCCc2ccccc2)C[C@H]1C(N)=O 408473797 IZWGOKFBXASXMA-TZMCWYRMSA-N 290.363 0.826 0 50 CCAA O=S(=O)(CCN1CC[C@@H]2CNC[C@@H]21)c1ccccc1 420344075 RYHYVSGTVCRQKL-OCCSQVGLSA-N 280.393 0.754 0 50 CCAA Cc1cnc(C)c(N2CCC[C@H](N3CCNCC3=O)C2)n1 333919972 PPJBWTXVDGDLDN-ZDUSSCGKSA-N 289.383 0.494 0 50 CCAA O=C(Cc1cn2ccccc2n1)N1CC[C@](F)(C(=O)O)C1 262745563 JUWUOEZJAWWXSH-CQSZACIVSA-N 291.282 0.902 0 50 CCAA CNC(=O)c1c(NCc2ccc3c(c2)nnn3C)n[nH]c1C 1651626516 VAZYKEVKSMYHJU-UHFFFAOYSA-N 299.338 0.972 0 50 CCAA Cn1cnnc1CN1CCOc2ccccc2[C@H]1C(=O)O 903928007 NRPKRRUEPLBRKT-ZDUSSCGKSA-N 288.307 0.835 0 50 CCAA OCc1csc(N2CCC([C@H](O)CO)CC2)n1 1772708820 KLMJGCYCYPIDGR-SNVBAGLBSA-N 258.343 0.205 0 50 CCAA C[C@@H]1CC[C@H](C(=O)NC2(CC(=O)O)CCOCC2)O1 262728381 CNCVITRKWSCBBG-NXEZZACHSA-N 271.313 0.694 0 50 CCAA C[C@]1(NC(=O)[C@@H]2COCCO2)CCCC[C@H]1C(=O)O 262716824 CXPDLTYYYDBNIB-KWBADKCTSA-N 271.313 0.552 0 50 CCAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)CCn1cccn1 263477085 FLVJOETVNAIHHP-QWRGUYRKSA-N 265.313 0.985 0 50 CCAA CC(C)CN1C[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3)CC1=O 65371338 OUPQULSBZCHTOD-RWMBFGLXSA-N 279.384 0.454 0 50 CCAA CNS(=O)(=O)CCCN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 408257235 RMYBGCYMKCKCBG-NNYUYHANSA-N 274.386 0.035 0 50 CCAA Cn1cc(N2CCN(Cc3cnns3)CC2=O)cn1 328606848 KSEBTRKDMZEANV-UHFFFAOYSA-N 278.341 0.120 0 50 CCAA C[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)C[C@@H]1CCCCO1 373874003 YDFOELQOHYOJTD-OUAUKWLOSA-N 291.369 0.680 0 50 CCAA COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1 6680815 ARQYVOSUFNKHIK-UHFFFAOYSA-N 291.350 0.556 0 50 CCAA CN1C(O)=N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C3CC3)CC[C@@H]21 329148991 YPNWWQQOXHYATQ-KKOKHZNYSA-N 263.341 0.861 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N1C[C@@H]2C[C@@H](O)[C@H]2C1 2325757107 UGIJFAFVTCIGIO-XHNCKOQMSA-N 280.353 0.682 0 50 CCAA CC1(C)C[C@@H](CC(=O)N=c2cc3n([nH]2)CCOC3)CN1 2325789165 ADNLWHPQSVWNIZ-SNVBAGLBSA-N 278.356 0.552 0 50 CCAA CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 182507 OINGZOBZCAEONW-VIFPVBQESA-N 264.347 0.068 0 50 CCAA COC(=O)C1=NN(C(C)=O)[C@@](O)(c2ccccc2)C1 276679 RBPZTMYQHKPRPP-ZDUSSCGKSA-N 262.265 0.613 0 50 CCAA O=C(O)CN(CC(=O)O)c1ccc2cccc(O)c2n1 1233325 YPMBBQGUFPTHLZ-UHFFFAOYSA-N 276.248 0.916 0 50 CCAA O=C(O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2004353 XYXYXSKSTZAEJW-SECBINFHSA-N 267.237 0.841 0 50 CCAA in-vitro Cc1nc(N2CC3(CNC(=O)N3C)C2)nc(C)c1C 2356147303 QHXDBEQESCJWGM-UHFFFAOYSA-N 261.329 0.616 0 50 CCAA CN(C(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 6667678 ZDSUQWVALLWVOG-LLVKDONJSA-N 253.323 0.946 0 50 CCAA CC[C@H](COC)NC(=O)N[C@@H](C)c1nnc(O)n1C 864094022 AMDFLMMQKWVDRY-JGVFFNPUSA-N 271.321 0.306 0 50 CCAA C[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2c2cccnc2)CC1 248322431 WGECLASMKSFQPB-QEJZJMRPSA-N 289.379 0.710 0 50 CCAA COCCN(Cc1ccc(C)cc1)C[C@@H](O)CO 55342103 VLKKNGJSHZWGSP-CQSZACIVSA-N 253.342 0.797 0 50 CCAA Cn1nc(C(=O)N[C@@H](CN)C2CC2)c(=O)c2ccccc21 429551316 DYKPJKBEXQAFKX-NSHDSACASA-N 286.335 0.401 0 50 CCAA CC1(C)C[C@H](NC(=O)CNC(=O)c2cnccn2)CCO1 170621947 RQLSPOOWAZXIID-SNVBAGLBSA-N 292.339 0.280 0 50 CCAA Cc1csc(=O)n1CCC(=O)N1CCCn2nnnc21 329191396 RLDAHTKBCHWCNE-UHFFFAOYSA-N 294.340 0.032 0 50 CCAA CC1(C)OC[C@@H]([C@@H](O)[C@@H](O)[C@H]2COC(C)(C)O2)O1 134316 ODYBCPSCYHAGHA-FIRGSJFUSA-N 262.302 0.011 0 50 CCAA biogenic C[C@H]1CN(C(=O)C2(N)Cc3ccccc3C2)C[C@@H](C)N1 153419596 HQOHGGDBFIKNCI-TXEJJXNPSA-N 273.380 0.692 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2nc(C)ncc2Cl)C[C@H]1O 72429710 KEDULBCKIZESIU-ZWNOBZJWSA-N 299.758 0.786 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(CO)cc1 285473502 MQOOZAOFBSXFPZ-NEPJUHHUSA-N 252.289 0.577 0 50 CCAA Cn1cncc1CNC(=O)[C@@]1(O)CCc2ccccc2C1 368230216 VTXFQUMLWUXHPU-MRXNPFEDSA-N 285.347 0.956 0 50 CCAA COCC(=O)N1CCCN(C(=O)Cc2cc(C)no2)CC1 219283884 KZBSXBFVMXZOCQ-UHFFFAOYSA-N 295.339 0.233 0 50 CCAA COC(=O)C1(C(=O)N2CCC[C@H](CCN)C2)CC1 71419240 WOPQAMSNZQELMO-SNVBAGLBSA-N 254.330 0.527 0 50 CCAA CNC(=O)c1ccc(CNC(=O)[C@H](O)CC(C)C)o1 220117126 HUMSWHPEHIQGJW-SNVBAGLBSA-N 268.313 0.662 0 50 CCAA CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cccc[n+]1[O-] 162263566 QLIDMBJFKYLASC-JTQLQIEISA-N 266.297 0.732 0 50 CCAA O=C1CN(Cc2ccccc2)C(=O)[C@H](Cc2cnc[nH]2)N1 223944793 QMUZOQAEBLAQOJ-ZDUSSCGKSA-N 284.319 0.479 0 50 CCAA c1ncc(CCN=c2cc([C@@H]3CCOC3)nc[nH]2)[nH]1 426571433 HGUPAZIQJADFNI-SNVBAGLBSA-N 259.313 0.780 0 50 CCAA OC[C@@H](O)CN1CC(Oc2cccc(Cl)c2)C1 97360104 VUAGRWOWLHRYTO-JTQLQIEISA-N 257.717 0.756 0 50 CCAA C[C@H](C1CCN(c2cc(N)ncn2)CC1)N1CCOCC1 95379153 QDATZDSVHNUGGD-GFCCVEGCSA-N 291.399 0.996 0 50 CCAA O=C(CCCn1cccn1)N1CCc2[nH]cnc2C1 96163800 CFMDZJDKFNOZOR-UHFFFAOYSA-N 259.313 0.971 0 50 CCAA CCNc1ncc(C(=O)NCCSc2cn[nH]n2)cn1 91665649 ZSSYXGBQFFEHFO-UHFFFAOYSA-N 293.356 0.549 0 50 CCAA CC/C=C\CCCN1CCN2CCNC(=O)[C@H]2C1 248241894 FHCXGYVUGNOYOV-DHCBQETCSA-N 251.374 0.849 0 50 CCAA COc1nc(NC(=O)C[C@H]2C(=O)Nc3ccccc32)n[nH]1 182991923 RLAIPUSNKNFZIK-MRVPVSSYSA-N 287.279 0.878 0 50 CCAA O=C(NCCn1cccn1)[C@H](c1ccccc1)n1cnnn1 253411779 PCKPSDFXVFQELK-ZDUSSCGKSA-N 297.322 0.275 0 50 CCAA CCN(CC)C(=O)CN1Cc2cnn(CCO)c2C1 252496983 PXBCLJMDEPAPHK-UHFFFAOYSA-N 266.345 0.059 0 50 CCAA Cn1cccc1C(=O)C(=O)N1CCC[C@H](c2nc[nH]n2)C1 354479446 CUTKNVQPNJZSIC-JTQLQIEISA-N 287.323 0.732 0 50 CCAA CCCc1nnc(N2C[C@@H]3NCCO[C@H]3C2)s1 534591522 UUCIJRNXBHQTPF-IUCAKERBSA-N 254.359 0.668 0 50 CCAA CCc1cc(N2C[C@@H]3NCCO[C@H]3C2)nc(N(C)C)n1 534670807 LBHMOYQFCVEQLX-RYUDHWBXSA-N 277.372 0.282 0 50 CCAA Cc1nn(CCCNC(=O)[C@H]2CNCCO2)c(C)c1C 299797975 PCOZAOYQRLHBEL-CYBMUJFWSA-N 280.372 0.303 0 50 CCAA CC(C)(C(=O)NC[C@@]1(O)CCCNC1)N1CCCC1 827635494 GVPVGNDXZLUVBH-CQSZACIVSA-N 269.389 0.092 0 50 CCAA Cc1c(Cl)c(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)nn1C 826847005 ZAMMXMWWKPYEKA-RKDXNWHRSA-N 296.758 0.932 0 50 CCAA C[C@H](CO)NS(=O)(=O)CC(=O)c1ccccc1 725375467 HPEGUAUTJYRCPU-SECBINFHSA-N 257.311 0.170 0 50 CCAA COCCn1cnnc1CCNC(=O)c1nsnc1C 1775979033 DSDJUUUNZGUIBQ-UHFFFAOYSA-N 296.356 0.057 0 50 CCAA COCCn1cnnc1CN(C)C[C@@H]1CCCOC1 670451512 DVLRDOGPPYMYHT-LBPRGKRZSA-N 268.361 0.783 0 50 CCAA CSCc1noc(CN2CCN(C)C(=O)C2)n1 670450664 KUIOYNWPGCSXFB-UHFFFAOYSA-N 256.331 0.207 0 50 CCAA CN(C)C(=O)[C@H]1CN(CC(C)(C)CN2CCCC2)CCO1 670448996 QPGBYHNXMUZUEG-CQSZACIVSA-N 297.443 0.897 0 50 CCAA Cc1conc1C(=O)N[C@@H]1CN(C)C[C@H]1c1cncn1C 952886147 HQSMFYRNMOKQSC-GHMZBOCLSA-N 289.339 0.544 0 50 CCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)CC1=CCOCC1)C2 952887741 ILXAIWMQYXQNFS-DOMZBBRYSA-N 294.351 0.074 0 50 CCAA COc1cccc(NC(=O)NCCN2CCN(C)CC2)n1 952995713 WEDSJWCSQHAJOC-UHFFFAOYSA-N 293.371 0.459 0 50 CCAA Cc1noc(=O)n1CC[S@@](=O)c1ccccc1 1875391697 UXTYXHNWQCJNRD-QGZVFWFLSA-N 252.295 0.953 0 50 CCAA COCC(COC)NC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875395216 ROIIPUCXRMBZSE-DTWKUNHWSA-N 297.355 0.823 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)NCCCn1cccc1 952972323 XAEQGSRPGYXJOU-LBPRGKRZSA-N 261.329 0.922 0 50 CCAA CCO[C@H]1CN(C(=O)c2cc(C)sn2)C[C@H]1CO 888100742 MTZXPTATDAOXHU-ONGXEEELSA-N 270.354 0.921 0 50 CCAA OC[C@@H]1CN(c2nc(C3CC3)nc3[nH]ccc23)C[C@@H]1O 631305306 CIUADMANICBEBH-ONGXEEELSA-N 274.324 0.625 0 50 CCAA CCOC(=O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 100041534 RSNKXJXWNHBZEU-VIFPVBQESA-N 299.323 0.945 0 50 CCAA in-vitro CC(C)=C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C(N)=O)C2)C1(C)C 222052060 ZVDRVZOVBAMGOI-IJLUTSLNSA-N 280.368 0.938 0 50 CCAA O=C1CC[C@H](Nc2ncc(F)cn2)[C@@H]([C@H]2CCCO2)N1 685921375 IZMNLTRLOFFMJR-UMNHJUIQSA-N 280.303 0.854 0 50 CCAA CCOc1cncc(N2C[C@@H](C(N)=O)CC[C@@H]2C)n1 195575005 RAHROYNPRCCGDY-UWVGGRQHSA-N 264.329 0.966 0 50 CCAA CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1NCCN1CCCC1=O 693665740 GAMLYKLRAHUBKM-IACUBPJLSA-N 265.401 0.975 0 50 CCAA CC(C)[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(O)n1 1506407108 IMMBTXBZLHJLOP-GFCCVEGCSA-N 277.324 0.726 0 50 CCAA CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C)C1 408081149 DEWPRYNTYAVEHA-WCFLWFBJSA-N 268.357 0.786 0 50 CCAA Nc1nc(O)c2nc(C[C@@H](O)c3ccccc3)c(O)nc2n1 1616030870 GUEDXJBDSSQTBB-SECBINFHSA-N 299.290 0.689 0 50 CCAA O=C(NC1CC2(C1)CC2(F)F)[C@]12CNC[C@H]1COC2 1615555547 RIXINTAQRXRTNG-YPVDUWFGSA-N 272.295 0.526 0 50 CCAA CC1(C)OC[C@H]([C@H](O)CNC(=O)Cc2ccco2)O1 1615604930 HBKROSRDOUIAEJ-GHMZBOCLSA-N 269.297 0.451 0 50 CCAA COc1nc(N)nc2c1cnn2CC(=O)NC(C)(C)C 1616038653 IQFGNIIKFMMHDI-UHFFFAOYSA-N 278.316 0.332 0 50 CCAA O=C1NC2(CCN(C[C@@H]3CCCNC3)CC2)CO1 496725641 ZEGYKCJEKZCXRL-LLVKDONJSA-N 253.346 0.560 0 50 CCAA CC1(C)OC[C@H]([C@@H]2OC(C)(C)O[C@@H]2[C@@H](O)C(=O)O)O1 169392432 HUQQXZFRCUIDQI-LURQLKTLSA-N 276.285 0.104 0 50 CCAA CCn1cnc(CNC(=O)[C@@H]2CCc3ncnn3C2)c1 1857732517 UMPAFEZKYKMDFT-SNVBAGLBSA-N 274.328 0.373 0 50 CCAA CCCO[C@@H]1C[C@@H](C(=O)NCCc2cnn[nH]2)CC[C@H]1N 1857733285 CWKPQFATSBJKMY-CYZMBNFOSA-N 295.387 0.386 0 50 CCAA C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccn(C)n2)[C@H]1C 585126749 HMQUPDAYULSNHM-XHNCKOQMSA-N 250.302 0.158 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(O)cc1F)C2 1704308038 DECSQBYESHNBOW-QWRGUYRKSA-N 294.326 0.934 0 50 CCAA CNC(=O)C1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1122276854 OUXUKJDETRXHOA-VXGBXAGGSA-N 273.336 0.254 0 50 CCAA Cc1ccc(S(=O)(=O)N2CCNCC2)c(F)c1 237734900 OTMASPCNKKYTRH-UHFFFAOYSA-N 258.318 0.728 0 50 CCAA CCCc1n[nH]c([C@H]2CN([C@H]3CCOC3=O)CCO2)n1 257366255 PMGBRLBNQXKHHU-VHSXEESVSA-N 280.328 0.446 0 50 CCAA CO[C@@H](CNC(=O)c1c(C(=O)O)cnn1C)C(C)C 901897913 NCSGWLUBGBYMJY-VIFPVBQESA-N 269.301 0.519 0 50 CCAA OC[C@@H]1CN(Cc2nc(-c3ccco3)no2)CC[C@@H]1O 396820609 XFTWDEUANHYOSM-UWVGGRQHSA-N 279.296 0.505 0 50 CCAA CN(Cc1nc(C(F)(F)F)no1)Cc1nncn1C 823719800 CIGQFAAMBHSEDD-UHFFFAOYSA-N 276.222 0.849 0 50 CCAA CN(C)c1nc(N(C)C)nc(N2CCCCC2)n1 609035 YQJAHJMFUGYJOW-UHFFFAOYSA-N 250.350 0.994 0 50 CCAA CN(CCc1cnn(C)c1)c1ncc2c(ncn2C)n1 2100547827 NQEUQBNJNGTGKS-UHFFFAOYSA-N 271.328 0.776 0 50 CCAA Cc1ncc(CN2CC[C@@](O)(c3cc[nH]n3)C2)c(=N)[nH]1 2325864836 AASSITWAZUGMLR-ZDUSSCGKSA-N 274.328 0.014 0 50 CCAA Cn1nccc1C(=O)N1CCN(c2ncccn2)CC1 2779009 AMUWEFTTYMNCGB-UHFFFAOYSA-N 272.312 0.173 0 50 CCAA CCN1CCn2c(nnc2[C@H](C)n2ccnc2)C1=O 2356152585 QEUUQKKCWPKPRM-VIFPVBQESA-N 260.301 0.560 0 50 CCAA Cn1nnc(-c2ccc(C(=O)N3CCOCC3)cc2)n1 20864374 SGRHMGLXNAGDJA-UHFFFAOYSA-N 273.296 0.350 0 50 CCAA NC(=O)[C@H]1CN(C(=O)Nc2cc(F)ccc2F)CCO1 51583429 YVRQEHZIOSVVIM-SNVBAGLBSA-N 285.250 0.683 0 50 CCAA Cn1cc(CCNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)cn1 229187894 FUKIVJOHMLMBHJ-KGLIPLIRSA-N 291.399 0.889 0 50 CCAA Cc1nnnn1CC(=O)N1CCC(c2ccccc2)=N1 123255504 LTAROYDAVFMOTL-UHFFFAOYSA-N 270.296 0.618 0 50 CCAA CN(C)c1noc(CN2CCNC(=O)c3ccccc32)n1 253396470 HBQQLCUVACDZFP-UHFFFAOYSA-N 287.323 0.886 0 50 CCAA Cc1nc(C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)no1 361569921 XUIAKNWGMUOVLZ-LLVKDONJSA-N 292.339 0.562 0 50 CCAA O=C(c1cnn2cccnc12)N1CCC[C@H](n2ccnn2)C1 333468421 HUQRTTFIRBGPNM-NSHDSACASA-N 297.322 0.798 0 50 CCAA Cc1cc(C(=O)NC[C@H]2CN3CCN2CC3)nn1C(C)C 333559669 NXRSZRRTCBPYML-ZDUSSCGKSA-N 291.399 0.502 0 50 CCAA CSc1ncc(CN2CCS(=O)(=O)CC2)cn1 215188832 YWGGHULFVROBPS-UHFFFAOYSA-N 273.383 0.429 0 50 CCAA CN1CCC(CC(=O)N2CCN(C3CC3)C(=O)C2)CC1 336510129 XLLHOVDIMGNSLS-UHFFFAOYSA-N 279.384 0.552 0 50 CCAA CCc1nccn1CCNC(=O)Cc1nonc1C 219375434 ZMSQVVSDYJIPFV-UHFFFAOYSA-N 263.301 0.496 0 50 CCAA CCCNc1ncc(CN2CC[C@](O)(CN(C)C)C2)cn1 72456543 ORZUXTRYLNPWEZ-HNNXBMFYSA-N 293.415 0.797 0 50 CCAA O=C(c1ccncc1F)N1CCC[C@](O)(CO)CC1 72145668 CSKNIMRRMVRXLY-CYBMUJFWSA-N 268.288 0.570 0 50 CCAA CCO[C@H]1CN(C(=O)CSc2nccc(C)n2)C[C@@H]1O 222759414 GRNJVSWBCBKODF-QWRGUYRKSA-N 297.380 0.485 0 50 CCAA COc1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3)cn1 221206072 APVBNDBKXPJSKV-NEPJUHHUSA-N 289.335 0.831 0 50 CCAA CSCC[C@@H](NC(=O)C1(Cn2ccnc2)CC1)C(=O)O 426685248 FRZSVNWTDVFVQW-SNVBAGLBSA-N 297.380 0.986 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1CCOC(C)(C)C1 426674342 WGJNMIVWCLGHMT-NSHDSACASA-N 286.372 0.666 0 50 CCAA CCN(C(=O)c1cccc(OC)c1OC)[C@H]1COC[C@@H]1O 223914779 STCQHLCJTLZKBM-RYUDHWBXSA-N 295.335 0.926 0 50 CCAA O=C(Cc1nc(O)n[nH]1)NCCc1cn2ccsc2n1 426661362 QVRAFEVKEDZVJJ-UHFFFAOYSA-N 292.324 0.121 0 50 CCAA C=CC(=O)NCCC(=O)N1CCC[C@@H](C(=O)OC)C1 269396323 ANTMBBTUOQIRKM-SNVBAGLBSA-N 268.313 0.090 0 50 CCAA Cc1cc(C)cc(S(=O)(=O)N[C@@H]2CCNC[C@H]2O)c1 534675238 SRQJUTUNADMEDR-CHWSQXEVSA-N 284.381 0.305 0 50 CCAA NC(=O)c1ccc(OCCCN2C(=O)CCNC2=O)cc1 95527324 IKKFKFVRAOZHHU-UHFFFAOYSA-N 291.307 0.496 0 50 CCAA CCn1ncnc1CN1CC[C@@](O)(COC)C(C)(C)C1 91808686 NKMPYTLRCRVPGI-CQSZACIVSA-N 282.388 0.907 0 50 CCAA CCOc1ccccc1C(=O)N1CCO[C@H](C(=O)NC)C1 183570998 HJAZMWHKSYJBEU-ZDUSSCGKSA-N 292.335 0.672 0 50 CCAA CCCc1ncncc1C(=O)NCc1nnc(N)s1 534587174 NOACRDQGBBTXQF-UHFFFAOYSA-N 278.341 0.793 0 50 CCAA CC[C@@H](CN=c1nc(N(C)C)[nH]s1)N1CCOCC1 534662457 JDYPFNNJWPGJFJ-JTQLQIEISA-N 285.417 0.549 0 50 CCAA CCCn1cnc(NC(=O)Cc2c(C)nc(O)nc2O)n1 1940195384 PYQCLZHJQHTYPX-UHFFFAOYSA-N 292.299 0.379 0 50 CCAA O=C([C@H](O)C1CCCCC1)N1CCN(c2nc[nH]n2)CC1 299761444 WSSISMLHPKTUNF-GFCCVEGCSA-N 293.371 0.395 0 50 CCAA O=C(CCc1cccnc1)N1CCN2C(=O)OC[C@H]2C1 493335732 DPFUVZQGDXUAJM-GFCCVEGCSA-N 275.308 0.677 0 50 CCAA CN(C)C(=O)c1cncc(NCC2(CO)CC2)n1 584903142 IQZFWXLUFHWFHN-UHFFFAOYSA-N 250.302 0.363 0 50 CCAA C[C@@H](CCn1cccn1)NCCc1noc(CO)n1 670459538 DNTRHUHPWPRNHE-JTQLQIEISA-N 265.317 0.369 0 50 CCAA CCCN1CCC[C@H]1C(=O)N1CC(NC2COC2)C1 1558611446 WHDOBJNSWZZRKI-ZDUSSCGKSA-N 267.373 0.060 0 50 CCAA N[C@@H](CC(=O)N1CCC([C@H]2CCCNC2)CC1)C(=O)O 1875287440 KNFZNTLJPVLSAH-RYUDHWBXSA-N 283.372 0.027 0 50 CCAA Cc1nsc(C)c1C(=O)N1CCC[C@@](O)(C(=O)O)C1 1875292093 WFGSRAVJGIXJNM-LBPRGKRZSA-N 284.337 0.812 0 50 CCAA NCC12CC(C(=O)N3CCC[C@H](c4cnn[nH]4)C3)(C1)C2 1875315401 TWLUCWDKXRFXSA-FNBIGBAISA-N 275.356 0.640 0 50 CCAA O=C1CCCCN1CCCC(=O)N1CC[C@H](CO)C1 952982007 ZDFXEIYOEHZFPA-LBPRGKRZSA-N 268.357 0.620 0 50 CCAA Cc1cc(CN(C)C(=O)Cc2c(C)nc(O)nc2O)no1 952972594 DLLWUVHNAPSQIL-UHFFFAOYSA-N 292.295 0.694 0 50 CCAA CCC[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1C(=O)O 1565530607 CTZBYHWNBHOPNG-ONGXEEELSA-N 265.313 0.993 0 50 CCAA C[C@@H](O)C(C)(C)NC(=O)CNC(=O)c1ccc(F)cc1 274049391 IFVUUFRHFYMIDU-SECBINFHSA-N 282.315 0.831 0 50 CCAA CC1(O)CN(C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 277739688 MCRYITSEOAKYPU-QMMMGPOBSA-N 251.286 0.120 0 50 CCAA Cc1ccc(-c2cc(C(=O)NCC(N)=O)[nH]n2)cc1 170593981 TXFJISHRNPPYTQ-UHFFFAOYSA-N 258.281 0.600 0 50 CCAA O=C(O)c1cccc(CNC(=O)c2cccc[n+]2[O-])c1 170591983 RFTIPCKQNWFCGB-UHFFFAOYSA-N 272.260 0.948 0 50 CCAA Cc1cnc2nc(C(=O)N[C@@H](C)[C@@H](C)C(=O)O)nn2c1 581261100 IKUWEELXFVEEPU-SFYZADRCSA-N 277.284 0.272 0 50 CCAA CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1)N1CCCC1=O 408053284 GOGMHYUXFLQTQC-NQBHXWOUSA-N 295.383 0.213 0 50 CCAA COCC1(S(=O)(=O)N(C)CC(C)(C)O)CC1 408460475 OOZYPPRCUYLDEU-UHFFFAOYSA-N 251.348 0.198 0 50 CCAA Cc1nc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2C(C)C)cn1C 408505767 YDGRHSYPYLINHD-NXEZZACHSA-N 285.369 0.826 0 50 CCAA Cc1cncc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c1 225425217 LAKRRHWDADKQCS-OLZOCXBDSA-N 277.368 0.917 0 50 CCAA Cn1cc(CCN2CCC[C@H](n3cc(CN)nn3)C2)cn1 649420419 LJCQXVYCCNXHHR-AWEZNQCLSA-N 289.387 0.350 0 50 CCAA Cc1coc(C(=O)N[C@H](C(=O)O)c2ccnn2C)c1 718555439 CSQLWACGCHANSH-JTQLQIEISA-N 263.253 0.877 0 50 CCAA CCC(=CC(=O)N1CC[C@](O)(Cn2ccnn2)C1)CC 794175680 IQNLESGDJGMKCW-CQSZACIVSA-N 278.356 0.988 0 50 CCAA C[C@@H](CCN(C)C(=O)NCC(=O)O)N1CCCC1 1506397216 ROQVUPYTNQFUIY-JTQLQIEISA-N 257.334 0.587 0 50 CCAA Cn1nc(C(F)F)cc1C(=O)N1CC[C@H](CO)[C@@H](O)C1 1857725147 KOHAYTJJZVMJIT-XCBNKYQSSA-N 289.282 0.173 0 50 CCAA O=C1N[C@@H]2COC[C@H]1CN(Cc1ccccc1F)C2 1704309334 RFKGJVCVEWQOLK-NEPJUHHUSA-N 264.300 0.773 0 50 CCAA COCCC1(S(=O)(=O)N2C[C@H](N)C3(CCC3)C2)CC1 1615058657 PCXMLISQWXMWBV-NSHDSACASA-N 288.413 0.699 0 50 CCAA O=C(NC[C@H](C(F)F)n1cccn1)c1cnccn1 1615549530 QRKPCXSVVQSFBX-SECBINFHSA-N 267.239 0.909 0 50 CCAA Cn1ccc(-c2cc(C(=O)N3C[C@@H]4CC[C@]4(N)C3)no2)n1 1615544806 AXOHIYRDWSVDGY-XPTSAGLGSA-N 287.323 0.638 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)CCC2CCOCC2)CCO1 262823927 RKPMIISNXABLOH-GFCCVEGCSA-N 285.340 0.895 0 50 CCAA c1cnc(N2CCCN(CC[C@@H]3COCCO3)CC2)nc1 1775980598 DVKXENRWZNPFRM-CQSZACIVSA-N 292.383 0.794 0 50 CCAA CC(C)N1C[C@@H](CN2CCS(=O)(=O)CC2)CCC1=O 1775977802 MKDQPFMSUDBIQZ-GFCCVEGCSA-N 288.413 0.364 0 50 CCAA CCOC(=O)CNC(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1 11873340 RJODAQRFMALGKJ-JTQLQIEISA-N 299.371 0.496 0 50 CCAA Cc1cccc(CCN2C[C@H]3COC[C@@H](C2)C(=O)N3)n1 1875243288 ZNZMQKTWGWGJKI-OCCSQVGLSA-N 275.352 0.379 0 50 CCAA O=C(NCC[C@@]1(O)CCCOC1)c1cnn(C2CC2)c1 628009614 UVDBVXBMFGEPJI-AWEZNQCLSA-N 279.340 0.879 0 50 CCAA CCn1ccnc1[C@@H](C)NC(=O)N[C@H]1CCCN(C)C1=O 527991690 WLQVCKMBUJQDQU-MNOVXSKESA-N 293.371 0.884 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1CCC(n2cnnc2O)CC1 536101840 CLJJUIQCLBCWET-WDEREUQCSA-N 280.328 0.572 0 50 CCAA NC(=O)Cn1cc(CN2CCc3ccc(Cl)cc32)nn1 459474606 YHEBEUIAFNDGPR-UHFFFAOYSA-N 291.742 0.980 0 50 CCAA CCCNC(=O)NC(=O)CN1CC[C@](C)(N(C)C)C1 1875275328 XAWWHNVAADLHBQ-ZDUSSCGKSA-N 270.377 0.248 0 50 CCAA Cn1nnnc1NC(=O)Cc1ccc2c(c1)CCO2 904205964 XPFKOVJIKBFVGQ-UHFFFAOYSA-N 259.269 0.326 0 50 CCAA CNc1ncc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)s1 907520750 ZKIGZIHFVUSFIK-ZJUUUORDSA-N 298.412 0.712 0 50 CCAA Cn1c(=O)c2[nH]c(-c3ccccn3)nc2n(C)c1=O 382968 ACLWYSHGEWDWNN-UHFFFAOYSA-N 257.253 0.022 0 50 CCAA biogenic CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1cn[nH]c1 228895259 OHNRJHYHYHNJQT-OPQQBVKSSA-N 264.329 0.881 0 50 CCAA NC(=O)C1(NC(=O)[C@@H]2CC23CCNCC3)CCCCC1 237858538 NPDNMJQWAMMIIX-NSHDSACASA-N 279.384 0.681 0 50 CCAA O=C(CCn1cnnc1)N1CCC[C@H](c2ncc[nH]2)C1 77471072 SFBNNEMUSVPDEL-NSHDSACASA-N 274.328 0.798 0 50 CCAA CN1C(=O)C(Cc2ccc3c(c2)OCO3)C(=O)N(C)C1=O 2819869 VZKWQHSZARRBJR-UHFFFAOYSA-N 290.275 0.624 0 50 CCAA CCN(C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2N)C1 299738530 BYYFCJOPRSAGSS-YNEHKIRRSA-N 253.390 0.914 0 50 CCAA C[C@H](NC(=O)c1n[nH]c2c1CCNC2)c1ccnc(O)c1 2325869563 UEFYOXRVEMOEJR-QMMMGPOBSA-N 287.323 0.647 0 50 CCAA COc1cccc(NC(=O)[C@H]2CC(=O)N=C(N)S2)c1 207400 FKZOXJMGLZMPIX-SECBINFHSA-N 279.321 0.981 0 50 CCAA CS(=O)(=O)N(CC(=O)NC1CC1)C1CCCCC1 382709 FVOKSKZTLQPYQN-UHFFFAOYSA-N 274.386 0.859 0 50 CCAA COCCN1Cc2nnc(C3CCOCC3)n2[C@@H](C)C1=O 2356162117 YFUXRQQNDSIKAF-JTQLQIEISA-N 294.355 0.722 0 50 CCAA Nc1nc(SCC(=O)NC2Cc3ccccc3C2)n[nH]1 20867322 NKUFBXRSKWCBDP-UHFFFAOYSA-N 289.364 0.763 0 50 CCAA CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 10688827 TXQRXPURJYKNJR-UHFFFAOYSA-N 289.401 0.127 0 50 CCAA Cc1ccc(OC[C@@H](O)CN2CCN(C)CC2)cc1 20726065 PBCOSPAMFIIICT-AWEZNQCLSA-N 264.369 0.982 0 50 CCAA O=C([C@H](O)CCc1ccccc1)N1C[C@H](F)C[C@H]1CO 348792586 BKHTXSYSJQRDPU-HZSPNIEDSA-N 281.327 0.911 0 50 CCAA COc1cc(NCCSc2nnnn2C)ncn1 65527561 QYCUSXQYTCJBHV-UHFFFAOYSA-N 267.318 0.213 0 50 CCAA CNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 20452824 UHPUDHSZOSDQIW-UHFFFAOYSA-N 284.337 0.730 0 50 CCAA c1cncc(-n2cnnc2CCCN2CCOCC2)c1 67850752 VPJIOKSIRSIEGN-UHFFFAOYSA-N 273.340 0.927 0 50 CCAA Cc1nc(C2CC2)oc1C(=O)NCCc1nc(=O)o[nH]1 333367333 YRTCJLRMSBLJTO-UHFFFAOYSA-N 278.268 0.509 0 50 CCAA OCCNc1cc(N2CCC[C@H](c3ccn[nH]3)C2)ncn1 67742458 FJILJFLDOQDZCC-NSHDSACASA-N 288.355 0.988 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)c1cncc(O)c1 128234636 NAJACUFKJCUEGO-VIFPVBQESA-N 266.253 0.103 0 50 CCAA COC[C@@H]1CCCN1Cc1cn(CCO)nc1C 215726207 CLHYSWSHZJUGPK-ZDUSSCGKSA-N 253.346 0.795 0 50 CCAA NC(=O)NCC(=O)N1CCCC[C@@H]1CCn1cccn1 77420962 RMTLZXJCSTVTMS-LLVKDONJSA-N 279.344 0.323 0 50 CCAA C=CC(=O)NCCC(=O)N1CCCC[C@@H]1Cn1ccnn1 374770919 IHGYXHBOXAWFLN-GFCCVEGCSA-N 291.355 0.352 0 50 CCAA COc1ccccc1CC(=O)N1CCOC[C@H]1CC(=O)O 129422951 VGRNWIYVXXCJQM-GFCCVEGCSA-N 293.319 0.940 0 50 CCAA CCc1nn(C)cc1CNC(=O)N1CC[C@](F)(CO)C1 338668883 RRPWETQHNFFDDR-CYBMUJFWSA-N 284.335 0.598 0 50 CCAA CN1CC2(CCN(C[C@H]3CCCNC3)CC2)OC1=O 72418670 XNLGZUHMHKJTKB-LBPRGKRZSA-N 267.373 0.903 0 50 CCAA C[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)O 71328870 XWBVEHNMCDTXOD-SECBINFHSA-N 293.323 0.102 0 50 CCAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCc1ccccc1 225723837 HAUYFFDGFFLJSE-MQYQWHSLSA-N 287.315 1.000 0 50 CCAA CN(C)[C@@H]1[C@@H](NC(=O)c2ccoc2)[C@H]2CCO[C@H]21 222731186 AELUTUKCMHKTCG-WRWGMCAJSA-N 250.298 0.727 0 50 CCAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN[C@H](C)C1 179179160 ICIFLGBQYNKAHV-SECBINFHSA-N 289.339 0.817 0 50 CCAA CN1CCN(CC(=O)N2CCCC[C@]2(C)C(=O)O)C1=O 426388354 CTUYPUPENLRXKA-CYBMUJFWSA-N 283.328 0.210 0 50 CCAA C[C@@]1(C(=O)NCCSc2cnn[nH]2)CCCO1 426699902 IZMBSGINQQDWHY-JTQLQIEISA-N 256.331 0.582 0 50 CCAA CC(C)(CNC(=O)c1ccc(NC2CC2)nc1)C(N)=O 619560107 ZYSWIUBHLNAOHV-UHFFFAOYSA-N 276.340 0.897 0 50 CCAA CCc1ccnc(C(=O)NC2CCS(=O)(=O)CC2)c1 180779797 CSHDLFFEUZVXOS-UHFFFAOYSA-N 282.365 0.951 0 50 CCAA O=C(NCc1cccc(F)c1F)NC[C@@H]1CCNC[C@H]1O 426485750 MYFSRVHEHOTMKV-JOYOIKCWSA-N 299.321 0.734 0 50 CCAA CN(Cc1cn[nH]c1C(=O)O)Cc1[nH]nc2c1CCC2 97532256 ZDYXDEJOXMDZAP-UHFFFAOYSA-N 275.312 0.952 0 50 CCAA CCCc1noc(CN2CCN(CC(=O)N(C)C)CC2)n1 96838495 JVGJHVKFDWXUDC-UHFFFAOYSA-N 295.387 0.228 0 50 CCAA CCc1ncc(NC(=O)N[C@]2(CO)CCOC2)cn1 183325126 ZZVKQYFRACOYLA-LBPRGKRZSA-N 266.301 0.312 0 50 CCAA Cc1c(-c2cc(CN3CCNC(=O)[C@@H]3C)on2)cnn1C 184504223 XZTSAFNOGSXCRW-JTQLQIEISA-N 289.339 0.704 0 50 CCAA C[C@H]1CCCN1S(=O)(=O)NCc1cnn(C)c1 184923829 VZSOPOKONLWUGI-VIFPVBQESA-N 258.347 0.239 0 50 CCAA CS(=O)(=O)NCC(=O)NCc1ccc2c(c1)CCCO2 534655969 AXIIFCVZAXSFEQ-UHFFFAOYSA-N 298.364 0.177 0 50 CCAA Cc1nonc1[C@H]1CCCN1C(=O)CCc1nc(O)n[nH]1 1940195311 LBIRHXSMQNWQMY-MRVPVSSYSA-N 292.299 0.498 0 50 CCAA Nc1nc(NCCCN2CCC[C@H](O)C2)c2ncnc-2[nH]1 828627458 XWKCOZWOSPSGDW-VIFPVBQESA-N 291.359 0.145 0 50 CCAA CCn1nc(C)c([C@H](C)NC(=O)c2n[nH]c(O)n2)c1C 823593237 BBLRFKNFGNIBMP-LURJTMIESA-N 278.316 0.835 0 50 CCAA CC1(C(=O)N2CCC[C@H](CN3CCCC3=O)C2)COC1 584891824 SCUFIKRNGOZOHW-GFCCVEGCSA-N 280.368 0.884 0 50 CCAA O=C(N1CCC(N2CC[C@H](O)C2)CC1)[C@@]1(F)CCOC1 1550905246 KQAXSXFJQKNHGJ-GXTWGEPZSA-N 286.347 0.173 0 50 CCAA NS(=O)(=O)c1ccc(C=O)c(Br)c1 694941822 MCEFKIYZMOCLSD-UHFFFAOYSA-N 264.100 0.909 0 50 CCAA CC(=O)c1ccc(C(=O)N2CC([C@H](F)C(=O)O)C2)[nH]1 1875271034 UUVWTNVMKUGODL-JTQLQIEISA-N 268.244 0.712 0 50 CCAA C[C@H](Cn1cnnc1)NC(=O)c1cccc(CC(=O)O)c1 1875270874 RRWINOZMMKWALM-SNVBAGLBSA-N 288.307 0.724 0 50 CCAA CSCCCS(=O)(=O)NC(=O)CCSC 1875320139 IFNMWLCAJBIICZ-UHFFFAOYSA-N 271.429 0.939 0 50 CCAA CC(C)Cc1cc(C(=O)NCCn2cncn2)nc(O)n1 952980012 GYGCDWQVLXQFDC-UHFFFAOYSA-N 290.327 0.402 0 50 CCAA Cc1nc(-c2ccc(NC(=O)[C@H](C)n3cnnn3)cc2)n[nH]1 952868969 FNGMPSSHYOUUAC-QMMMGPOBSA-N 298.310 0.966 0 50 CCAA CN1CCN(Cc2cc(O)nc(C3CC3)n2)C[C@@H]1CO 1774368701 ZIKDFSDGIDBHIT-GFCCVEGCSA-N 278.356 0.168 0 50 CCAA C[C@H]1CO[C@H](C(=O)NS(=O)(=O)Cc2cccnc2)C1 1774746362 ZZRVCULOIYHNGR-KOLCDFICSA-N 284.337 0.453 0 50 CCAA NC(=O)C(F)(F)C1(O)CN(C(=O)/C=C/c2ccccc2)C1 1775993354 YVKIFTXFBWCAEN-VOTSOKGWSA-N 296.273 0.394 0 50 CCAA O=C(O)[C@H]1[C@H]2CN(C(=O)[C@@H]3Cc4cccnc4C3)CC[C@H]21 1574403475 OYHPKQOQXUYZNL-NRWUCQMLSA-N 286.331 0.976 0 50 CCAA CCc1nnc(CNC(=O)C[C@H]2COCCN2)s1 72135446 XWHSXZRCCDHBQL-QMMMGPOBSA-N 270.358 0.095 0 50 CCAA O=C1C[C@@H](NC(=O)Cc2cccc(Cl)c2)CN1 169801093 PJCIKKLFGXCXKC-SNVBAGLBSA-N 252.701 0.887 0 50 CCAA O=C(CC1OCCO1)N1CCC[C@H](c2ncon2)C1 1596849794 SIZGWFVIADAEKX-VIFPVBQESA-N 267.285 0.539 0 50 CCAA O=C(NCCc1nc(=O)o[nH]1)N1CCc2ccccc21 279308352 DMWYLYMDLZSMOF-UHFFFAOYSA-N 274.280 0.678 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C)C1 583619983 FLMDYPHCZDYYMR-SFYZADRCSA-N 291.277 0.868 0 50 CCAA Cn1ccc(S(=O)(=O)N2CC3CCC2(CN)CC3)n1 584539677 AHFJOMOBRGUXPM-UHFFFAOYSA-N 284.385 0.312 0 50 CCAA CCc1nnc2ccc(N(C)[C@H](C)C[S@](C)=O)nn12 225602227 FTRKKJAZJQFVNQ-HOGDKLEQSA-N 281.385 0.890 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CCC[C@](O)(CC(N)=O)C1 643995298 DIKVGFZFOPLXDP-ZDUSSCGKSA-N 299.758 0.521 0 50 CCAA O=C(O)c1cn([C@H]2CCN(c3ncc(F)cn3)C2)nn1 644168861 JVICNGNFBMBHDC-QMMMGPOBSA-N 278.247 0.357 0 50 CCAA Cc1noc2ncnc(N[C@H]3CCS(=O)(=O)C3)c12 193386028 DCXAHZYHKJHDKS-ZETCQYMHSA-N 268.298 0.525 0 50 CCAA CCn1ccc(C(=O)Nc2cnn(CCOC)c2)n1 568514695 QCKMQCLLMJIPKI-UHFFFAOYSA-N 263.301 0.998 0 50 CCAA CN1CCC(O)(C(=O)N(C)CC[C@H]2CCCCO2)CC1 1506414439 PUGDXPQBAYLESF-CYBMUJFWSA-N 284.400 0.861 0 50 CCAA Cc1c(F)cccc1NC(=O)CN1CC[C@@H](O)[C@@H](CO)C1 1529190367 HKVQXZCMFLBMPI-BXUZGUMPSA-N 296.342 0.748 0 50 CCAA CCC(C)(C)NC(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1 1529197328 OVNKBPQNWJRDIX-OLZOCXBDSA-N 291.351 0.943 0 50 CCAA CN1CCO[C@@]2(CCN(C(=O)C3CC=CC3)C2)C1 1857682535 MVZQFPCUXNLRDY-AWEZNQCLSA-N 250.342 0.886 0 50 CCAA COc1cccc(F)c1CN1C[C@@H]2C[C@H]1C(=O)N2 1857701934 ZMOJEMLFUORXLE-KWQFWETISA-N 250.273 0.907 0 50 CCAA O=C(Cn1cnnc1)N1CCC(N2CCSCC2)CC1 1857703437 MDNBOZRAHUOFQW-UHFFFAOYSA-N 295.412 0.318 0 50 CCAA CO[C@@]1(C)CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 408334844 QZNQBUIOQPTGNY-NEPJUHHUSA-N 277.386 0.854 0 50 CCAA NC(=O)CCSCC[C@@H](C(F)F)N1CCOCC1 1615001807 HNGCTICQZQLYAI-VIFPVBQESA-N 282.356 0.951 0 50 CCAA CCc1c(C(=O)N[C@H]2C[C@@H](N)C23CCC3)nnn1CC 1615553416 GYTXRQMJTOYIRV-MNOVXSKESA-N 277.372 0.860 0 50 CCAA O=C1CO[C@]2(CCN(C(=O)c3ccncc3Cl)C2)CN1 1772818474 GGMTXWJRVMTPAD-CYBMUJFWSA-N 295.726 0.466 0 50 CCAA Cc1nnc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)s1 13119495 VAPZZJJGAHMFGS-OCAPTIKFSA-N 270.358 0.894 0 50 CCAA COC(=O)COc1ccc(-n2cnnn2)cc1OC 15083432 OBLFGWBZNUPOBO-UHFFFAOYSA-N 264.241 0.223 0 50 CCAA O=C1NCCN2CCN(C(=O)CC3=CCCC3)C[C@@H]12 1857687066 JULJMZWOIVMUNF-LBPRGKRZSA-N 263.341 0.129 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)c2cnn(C)c2)CC[C@@H]1O 1857720683 FJVIMKDMCLSAKF-JSGCOSHPSA-N 281.356 0.406 0 50 CCAA Cn1ccnc(N2CCC[C@@H](N[C@H]3CCCOC3)C2)c1=O 328647528 TZWFNXPONFEOII-OLZOCXBDSA-N 292.383 0.518 0 50 CCAA CN1CCO[C@H](C(=O)N(C)C[C@@H]2CCc3nccn3C2)C1 328623153 IYFVVQYTPPMZQJ-STQMWFEESA-N 292.383 0.235 0 50 CCAA CC(C)[C@@H](O)CC(=O)N1CCC[C@H](c2nc(O)n[nH]2)C1 843877229 DCWLIYJOJPJRDU-UWVGGRQHSA-N 282.344 0.623 0 50 CCAA CN(CCn1cccn1)C(=O)c1c(C(=O)O)cnn1C 901596562 HIXDNDWKIVQVPU-UHFFFAOYSA-N 277.284 0.087 0 50 CCAA CCCNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 6697633 BHSBWJQWKPRSFM-UHFFFAOYSA-N 277.367 0.778 0 50 CCAA CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)CCc1cnn(C)n1 826683781 CBPSALYKEMPKFU-ZIAGYGMSSA-N 291.399 0.833 0 50 CCAA Cc1noc(C)c1CC(=O)N1CC[C@@H]2CNC[C@H]2C1 261658591 YWQUVEDUHFWSHT-NEPJUHHUSA-N 263.341 0.902 0 50 CCAA O=C1CCC(C(=O)N[C@H]2COc3ccccc3C2)=NN1 74911463 KUGDYDQIVVZPMA-SNVBAGLBSA-N 273.292 0.372 0 50 CCAA C[C@H](CS(C)(=O)=O)N(Cc1cnns1)C1CC1 331463777 ITVCMPVHTUBEFQ-MRVPVSSYSA-N 275.399 0.936 0 50 CCAA Cn1nnnc1CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 331657611 SODFKNRISYIQOD-RYUDHWBXSA-N 277.303 0.657 0 50 CCAA COc1ccccc1CC(=O)N[C@H]1COCC[C@@H]1O 710937442 PFJKZCMIYPYKJS-RYUDHWBXSA-N 265.309 0.504 0 50 CCAA Cc1ccc(O)cc1C(=O)NCC1(O)CCN(C)CC1 397579805 CPDIJEOWWMDAGT-UHFFFAOYSA-N 278.352 0.887 0 50 CCAA CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 398494461 HMWDNONDMPBRCP-NSHDSACASA-N 293.348 0.315 0 50 CCAA O=C(O)C[C@@H](CO)CNC1(c2ncccn2)CCOCC1 2325829839 UDPAYSMHYWLXOL-LLVKDONJSA-N 295.339 0.155 0 50 CCAA COc1ccccc1NC(=O)CSCC(N)=O 1061476 ONGQIVIOMTXQSS-UHFFFAOYSA-N 254.311 0.852 0 50 CCAA Cc1cc(CC(=O)NC[C@@H](O)c2cccc(O)n2)on1 2356135568 KMWXLLLQLNYPFQ-LLVKDONJSA-N 277.280 0.476 0 50 CCAA COc1ccccc1NC(=O)C(=O)NC[C@H](C)O 2993831 YVUDUZRUOFUVSI-QMMMGPOBSA-N 252.270 0.131 0 50 CCAA Cc1ncc(NC(=O)C(=O)Nc2cnc(C)nc2)cn1 4952927 ZETLEXQDLUSPKC-UHFFFAOYSA-N 272.268 0.461 0 50 CCAA CCCN1C(=O)C[C@@H](N2CCN(CC)CC2)C1=O 100382686 MOWCJEVJFLBGGQ-LLVKDONJSA-N 253.346 0.161 0 50 CCAA Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCCN[C@@H]1C 420417883 BVYFAIUXPOUDDW-PSASIEDQSA-N 272.374 0.147 0 50 CCAA NC1(CNC(=O)C(=O)O)C2CC3CC(C2)CC1C3 328597450 HLFVZTJPPMDCOW-UHFFFAOYSA-N 252.314 0.341 0 50 CCAA C[C@@H]1CCC[C@H]1OC[C@@H](O)CN1CCN(CCO)CC1 22917820 CYSUXZOTEMFZIJ-QLFBSQMISA-N 286.416 0.162 0 50 CCAA C[C@@H](NC(=O)CN1CCn2cccc2[C@H]1C)C(=O)N(C)C 249713179 GIGSVJGXLFTMON-VXGBXAGGSA-N 292.383 0.458 0 50 CCAA CCCc1nnc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)o1 71776481 ISGVBMDEVHGXFE-QWRGUYRKSA-N 294.355 0.303 0 50 CCAA CN1C(=O)CC[C@H]1C(=O)NCCc1cscn1 330696143 DKVYKZDPUZIINT-VIFPVBQESA-N 253.327 0.423 0 50 CCAA COC[C@@H](O)CCN[C@@H]1CCCc2nn(C)cc21 331080149 LJMQUPHCCANFNG-CMPLNLGQSA-N 253.346 0.785 0 50 CCAA Cc1ccc(C(=O)NC2(CO)CC2)cc1S(C)(=O)=O 331907828 CNEUMRZTRUGKKN-UHFFFAOYSA-N 283.349 0.653 0 50 CCAA CC(C)(C)n1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)cn1 236762565 DLFFUXVZLYADQY-SNVBAGLBSA-N 281.312 0.564 0 50 CCAA NC[C@@H]1CC[C@H](NC(=O)N2CCc3ccnc(O)c3C2)C1 333486664 CUEBSYFYUIWQKS-PWSUYJOCSA-N 290.367 0.982 0 50 CCAA O=C(O)CSCC(=O)NCCc1ccc(O)cc1 128208536 TXKNEYSPSSTPHP-UHFFFAOYSA-N 269.322 0.869 0 50 CCAA CCc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)[nH]n1 285449343 KRKWXEQVEZSCGG-GWCFXTLKSA-N 289.339 0.966 0 50 CCAA O=C1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3O2)C(=O)N1 334057956 WRWXLBWQAGPNQN-JQWIXIFHSA-N 288.303 0.302 0 50 CCAA O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1COCCO1 216240105 PTQQFZODNFIJEZ-NSHDSACASA-N 279.292 0.489 0 50 CCAA O[C@@]1(CNCc2ccc3c(c2)OCCCO3)CCNC1 72479176 DDCYPXCRUHUBTO-HNNXBMFYSA-N 278.352 0.662 0 50 CCAA C[C@@H]1CC[C@@]2(CCN(C(=O)C(=O)NC3CCNCC3)C2)C1 335296542 BNCQFYIBRBZHHR-MLGOLLRUSA-N 293.411 0.893 0 50 CCAA COc1ccc(-n2ccc3c(nnc4ncnn43)c2=O)cc1 71375544 GFEBJQWDDSQGKB-UHFFFAOYSA-N 294.274 0.832 0 50 CCAA Cc1cnccc1NCCNC(=O)c1nc2ncccn2n1 215736290 FTLCMVVJPRXVRA-UHFFFAOYSA-N 297.322 0.670 0 50 CCAA CCN1CCN(C(=O)CC2CCN(CCN)CC2)CC1 263046471 UCKOMPOSDUQSSJ-UHFFFAOYSA-N 282.432 0.211 0 50 CCAA CC[C@H](NC(=O)c1cc(CO)ccn1)[C@H]1C[C@@H](O)C1 222683361 RUBNSQHQORTDPH-SRVKXCTJSA-N 264.325 0.853 0 50 CCAA CCc1nc(C)sc1CN1CC[C@@H](N)[C@H](O)C1 82107642 XBUWZZDVEWUSGU-MWLCHTKSSA-N 255.387 0.908 0 50 CCAA CC(C)S(=O)(=O)NC1=NCN(Cc2ccco2)CN1 40387351 HJFWSVLMENREDC-UHFFFAOYSA-N 286.357 0.284 0 50 CCAA Cc1cc(C)n([C@H](C)C(=O)N(C)[C@@H]2CCNC2)n1 179122729 AYKLEYBINYXDDV-VXGBXAGGSA-N 250.346 0.881 0 50 CCAA CC(=O)NCCNC(=O)N[C@H](C(=O)O)c1cccc(C)c1 426545094 OMYOZRSPGJOVIL-LBPRGKRZSA-N 293.323 0.556 0 50 CCAA COc1cccc(NNC(=O)c2ccc(=O)n(C)c2)n1 180688204 GFOFGSKFKCYXPL-UHFFFAOYSA-N 274.280 0.546 0 50 CCAA Cc1nc(CN2CCO[C@@H](CCN)C2)n(C)c1C 426674159 IFHGXVZWNBRFAS-LBPRGKRZSA-N 252.362 0.587 0 50 CCAA CCc1nc(N)nc(N2C[C@H](O)[C@@H](N3CCCC3)C2)c1C 95357750 ZKWXEUZOCPRTNM-STQMWFEESA-N 291.399 0.575 0 50 CCAA Cn1cnc2c(N3CCOCC3)nc(Cl)nc21 95707388 BJALAVZIHBUVDW-UHFFFAOYSA-N 253.693 0.853 0 50 CCAA COCC1(NC(=O)Cn2ccccc2=O)CCCC1 97784814 DZZHPZMEOLPPBO-UHFFFAOYSA-N 264.325 0.924 0 50 CCAA CN(CC(=O)NC[C@@]1(O)CCNC1)Cc1ccc(F)cc1 244787893 QFSCLMIDAGJEKJ-OAHLLOKOSA-N 295.358 0.098 0 50 CCAA Cc1cnn([C@H](C)CNC(=O)CCn2cncn2)c1 534642139 IGIHBBOCIYTLAB-LLVKDONJSA-N 262.317 0.551 0 50 CCAA CCCn1nccc1S(=O)(=O)N1CCC[C@H](N)C1 534666901 WSDSZURYXSQUIB-JTQLQIEISA-N 272.374 0.405 0 50 CCAA CS(=O)(=O)NCCC(=O)N1C[C@H]2CCC[C@@H](C2)C1 557512374 IVIXLNXKOXGEQF-QWRGUYRKSA-N 274.386 0.574 0 50 CCAA c1nc(NCCc2nnn[nH]2)cc([C@H]2CCOC2)n1 299789063 VISAYQYETVGNGQ-QMMMGPOBSA-N 261.289 0.148 0 50 CCAA CC(C)C[C@H](NC(=O)CCCn1cncn1)C(N)=O 821396963 VHTMACSIJKTPBR-JTQLQIEISA-N 267.333 0.075 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NCc2nc(O)n[nH]2)n1 821508343 KMZQIVIPPPSSJV-MRVPVSSYSA-N 250.306 0.502 0 50 CCAA O=C(c1n[nH]c(O)n1)N1CC[C@H](N2CCCCC2)C1 584884824 QGBQRWIQQSCGSB-VIFPVBQESA-N 265.317 0.211 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@H]1CCCN(c2ncccn2)C1 584888888 QFWMBJXNAKQKFS-JTQLQIEISA-N 287.327 0.302 0 50 CCAA COc1cccc2ncn([C@@H](C)c3nc(N)n[nH]3)c(=O)c12 584884427 OBFRFJJMUHKFGR-ZETCQYMHSA-N 286.295 0.715 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)Cn2ccc(C)n2)C1 670443794 GUNQVJUDNFEASG-NSHDSACASA-N 264.329 0.176 0 50 CCAA Cn1ncc(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)n1 952881440 RKYAROUXDLAIBB-LLVKDONJSA-N 296.327 0.920 0 50 CCAA CC1=C(C(=O)N2CCN(c3ncccn3)CC2)OCCO1 952970647 UAZSJSCPXNQCRX-UHFFFAOYSA-N 290.323 0.404 0 50 CCAA CSC[C@H](C)C(=O)N1CC(N2CC[C@H](O)C2)C1 888094411 XUKVRKZLLMIVER-ONGXEEELSA-N 258.387 0.263 0 50 CCAA CC(C)(C)OC(=O)N[C@H](Cc1nccc(O)n1)C(=O)O 1772717645 UMCDDQRHVNFDOL-SSDOTTSWSA-N 283.284 0.703 0 50 CCAA C=CS(=O)(=O)CCN1CC(=O)N[C@@H]2CCCC[C@@H]21 1775994430 MJJRMFWBSWKEJW-MNOVXSKESA-N 272.370 0.288 0 50 CCAA CON(C)C(=O)CCN1CC(OC)(C(F)(F)F)C1 899909909 HGBRPIQOLKGULS-UHFFFAOYSA-N 270.251 0.659 0 50 CCAA CCC1(Cn2cc(CN3CCC(O)CC3)nn2)COC1 899724452 GQJPPQRQXLSZGM-UHFFFAOYSA-N 280.372 0.661 0 50 CCAA Cc1nc(COC(=O)[C@@H]2CC[C@H](C(N)=O)O2)c(C)s1 170609499 DFJSWBCAPRVGNW-ZJUUUORDSA-N 284.337 0.836 0 50 CCAA CCN(C)C[C@@H]1CCN([C@@H](C)CC(=O)N2CCOCC2)C1 170602806 HBWHRUBUQYISHA-GJZGRUSLSA-N 297.443 0.897 0 50 CCAA C[C@H]1[C@H](N2CCCC2)CCN1C(=O)CCc1nn[nH]n1 633065489 JYMFGNNDMHNIPF-WDEREUQCSA-N 278.360 0.218 0 50 CCAA CC[C@H](N)C(=O)N1C[C@@H](C)N(CCOC)[C@H](C)C1 408513897 OOQNCYUPRVYFLY-UTUOFQBUSA-N 257.378 0.291 0 50 CCAA CCc1noc([C@@]2(O)CCN(C(=O)[C@@H](C)SC)C2)n1 225528097 PUBCNWAGWBZVKY-PRHODGIISA-N 285.369 0.803 0 50 CCAA Cc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCCC(=O)N1)CC2 193999188 OEZMRIATCDUYOQ-WDEREUQCSA-N 291.355 0.076 0 50 CCAA CC1(Cn2cc(COc3ncccn3)nn2)COC1 656453626 OKPFTPSVHUQTSS-UHFFFAOYSA-N 261.285 0.684 0 50 CCAA CC(C)c1nccc(N2CC[C@@](O)(c3cnn[nH]3)C2)n1 583616662 XTEUZDKOSSZOJS-ZDUSSCGKSA-N 274.328 0.816 0 50 CCAA Cc1nc(Cl)cc(N2CCN(C)C[C@H]2CO)n1 585117979 LMBOSBPFGGVYSR-VIFPVBQESA-N 256.737 0.551 0 50 CCAA CC(C)Oc1nccnc1N1CC[C@@H](S(N)(=O)=O)C1 679390614 DVNSIKYWSAASAY-SECBINFHSA-N 286.357 0.131 0 50 CCAA CCCOCCN1CCN(CCn2cnnc2C)CC1 1506421695 UGIHKSOVWYDVPZ-UHFFFAOYSA-N 281.404 0.631 0 50 CCAA CN(CC[C@H]1CCCCO1)C(=O)CCCS(N)(=O)=O 1506415852 DHFPWPZHMLFAEQ-LLVKDONJSA-N 292.401 0.473 0 50 CCAA CS(=O)(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529195314 IVQGBEUDTFKLPO-MNOVXSKESA-N 256.327 0.188 0 50 CCAA COCc1nsc(N(C)[C@H](C)C[S@@](C)=O)n1 302867428 WHFNDHQDRVETQL-VGDKGRGNSA-N 263.388 0.888 0 50 CCAA CC[C@@]1(CO)CCCN(C(=O)c2cnnn2C)C1 407954798 FLEFEOAOGDHZLJ-GFCCVEGCSA-N 252.318 0.440 0 50 CCAA CC1(C)CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@@H]1O 408266834 UGQLANKUKGEVRO-JTQLQIEISA-N 266.345 0.876 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC[C@@H]1C(=O)NC(C)C 1875380016 CECFRLHSPRRLJE-GFCCVEGCSA-N 295.383 0.537 0 50 CCAA O=C(Cn1cccn1)N[C@H]1COC[C@@H]1Cc1ccncc1 1616073708 UFCLWTQNWAIUQA-KBPBESRZSA-N 286.335 0.652 0 50 CCAA C[C@H](N)C(=O)N(C)CC(C)(C)CN1CCOCC1 157954188 IQMAREJKTBBOPO-NSHDSACASA-N 257.378 0.150 0 50 CCAA OCCOCCOCCOCCO[C@H]1CCCCO1 34418950 XUTYVMRXVARJFT-ZDUSSCGKSA-N 278.345 0.572 0 50 CCAA in-vitro NCC1(O)CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 1645871355 AWVIIXJRRFAMLO-UHFFFAOYSA-N 288.351 0.418 0 50 CCAA CCNC(=O)CN(c1ccccc1F)S(C)(=O)=O 5952553 NRCUARBQKKGHLD-UHFFFAOYSA-N 274.317 0.728 0 50 CCAA Nc1cncc(N2CCCN(C(=O)C3CCC3)CC2)n1 1857682047 MLVWDZMPBLPZAE-UHFFFAOYSA-N 275.356 0.898 0 50 CCAA CCn1nccc1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1875248924 YHHDNFAYRJMDKA-RYUDHWBXSA-N 278.356 0.306 0 50 CCAA CC(C)(O)CNC(=O)[C@H]1COCCN1CC(F)(F)F 252507486 WMZBXOFCXSCRLA-MRVPVSSYSA-N 284.278 0.137 0 50 CCAA CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cn(C)cn1 257366000 FPWBCXRTGQPYRU-NEPJUHHUSA-N 298.412 0.667 0 50 CCAA CCCCNC(=O)[C@@H](C)N1CC[C@@H](n2ccnn2)C1 585116359 RWESBVIDVDTFGZ-VXGBXAGGSA-N 265.361 0.830 0 50 CCAA Cn1nnnc1NC(=O)[C@@H]1OCCc2ccccc21 904195639 VKKCACIAXSKGNI-SNVBAGLBSA-N 259.269 0.463 0 50 CCAA CCn1nc(C)c(CNC(=O)N(CCO)C2CCC2)n1 824713306 QCZYMBPKIKCMIO-UHFFFAOYSA-N 281.360 0.663 0 50 CCAA Cc1nnsc1CS(=O)(=O)C[C@@H]1CCCO1 825297022 IRZPDBXQNRHGSR-QMMMGPOBSA-N 262.356 0.940 0 50 CCAA C[C@H]1CNCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 126306709 PTQMUNLVHZBCSW-IUCAKERBSA-N 293.289 0.218 0 50 CCAA NC(=O)c1ccc(NCC2(CO)CCOCC2)nc1 269742735 WHHYPRFPIKCMIT-UHFFFAOYSA-N 265.313 0.382 0 50 CCAA CN1C[C@H](C(=O)N2CCc3ccccc3CC2)NCC1=O 1775494589 OFKOJYATRHXPFV-CQSZACIVSA-N 287.363 0.044 0 50 CCAA CC(C)CCOC(=O)CCSc1n[nH]c(=O)[nH]c1=O 1916873 HZDFYXDIBBPRQI-UHFFFAOYSA-N 287.341 0.530 0 50 CCAA CCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)OC 2172693 VBKZYWWMOVNWTB-IUCAKERBSA-N 262.375 0.525 0 50 CCAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C(=O)O)N1 3847516 ZWMZDKZTZLGVRQ-ONGXEEELSA-N 260.249 0.893 0 50 CCAA endogenous,in-man Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)O 7784455 XCASDHUJXYSWLK-UHFFFAOYSA-N 258.299 0.508 0 50 CCAA CCOCC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 115388942 WXPJYKQOPFQKHF-UHFFFAOYSA-N 294.399 0.718 0 50 CCAA CCOc1cc(S(=O)(=O)NC[C@H](C)O)ccc1F 54363604 PRCIFNAAJAGPOT-QMMMGPOBSA-N 277.317 0.884 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)CN1C 67649124 QRKCOXGDNRLYPK-SKDRFNHKSA-N 294.355 0.509 0 50 CCAA Cc1cc(C(=O)NC[C@@H](C)Oc2cccnc2)nc(N)n1 67541845 PDKVKLFADFIFJX-SNVBAGLBSA-N 287.323 0.960 0 50 CCAA NC(=O)c1noc([C@H]2CCCN2Cc2cscn2)n1 328656447 ZIFBRLIHIYIULY-MRVPVSSYSA-N 279.325 0.962 0 50 CCAA Cc1nn(CCC(=O)N(C)C)c(C)c1CCC(=O)N(C)C 330708146 NHQCAQQEGATCDR-UHFFFAOYSA-N 294.399 0.999 0 50 CCAA CCc1occc1C(=O)N1CC[C@](O)(c2c[nH]nn2)C1 284486910 BHZOQXPECURNDC-CYBMUJFWSA-N 276.296 0.694 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2c(Cl)cnn2C)C1 284664998 WQFSRXVLBYCLIC-CBAPKCEASA-N 272.736 0.148 0 50 CCAA Cn1cnc2cc(CN3C[C@H](F)C[C@H]3C(N)=O)ccc21 284624286 LGZPBWYOPJRZFU-MFKMUULPSA-N 276.315 0.971 0 50 CCAA CC(C)N1CC[C@H](NC(=O)NC[C@H]2CCCO2)C1 252505365 LTSGIXRJTRXFNV-NWDGAFQWSA-N 255.362 0.947 0 50 CCAA CCc1nc(NCCN2CCOCC2)c2cnn(C)c2n1 72125414 WSWJZXABMZNKMW-UHFFFAOYSA-N 290.371 0.670 0 50 CCAA CCN(C(=O)c1c(Cl)cnn1CC)[C@@H](C)C(N)=O 71751787 MKGZKUUBNNIJNI-ZETCQYMHSA-N 272.736 0.892 0 50 CCAA CCn1nc(C)c([C@H](C)NC(=O)CNC(C)=O)c1C 219827467 DNACYZHXPJQVFX-QMMMGPOBSA-N 266.345 0.833 0 50 CCAA Cc1nnc(CNC(=O)[C@H](O)COc2ccccc2C)o1 217586214 IVTLHABOTYYSDY-LLVKDONJSA-N 291.307 0.743 0 50 CCAA Cc1cccnc1/C=C/C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 366043650 VDTKYYBKERRXDE-ICWYTKJFSA-N 287.363 0.945 0 50 CCAA O[C@]1(CNCc2ccccc2-n2cccn2)CCNC1 72432972 NKXWSKAQKUNBPB-OAHLLOKOSA-N 272.352 0.686 0 50 CCAA Cc1cc(C)n([C@H](C)CC(=O)N2CCOC[C@H]2C(=O)O)n1 262412099 BKJKUNKIRRCQRR-NEPJUHHUSA-N 295.339 0.763 0 50 CCAA O[C@H]1C[C@@H](O)C12CCN(c1ncccc1F)CC2 219584737 XUODGMGPSNTSHE-PHIMTYICSA-N 252.289 0.933 0 50 CCAA CC(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 72436841 IIIJZPKBEAWCGC-UHFFFAOYSA-N 272.312 0.331 0 50 CCAA O=C(O)CN1CCOC[C@H]1C[C@H](O)c1cccs1 262649062 KUIYRUCZWSZZPW-ZJUUUORDSA-N 271.338 0.957 0 50 CCAA Cc1cc(O)nc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1 495798345 AHGQHWORUYSOPK-SECBINFHSA-N 277.280 0.372 0 50 CCAA Nc1ccncc1C(=O)N1CCN(CC(F)(F)F)CC1 178006772 HHDRFFBPSINUNK-UHFFFAOYSA-N 288.273 0.984 0 50 CCAA CC(C)n1cccc1C(=O)NC[C@@H]1CN(C)C(=O)CO1 221332719 ZCRMENGCCBZGDP-LLVKDONJSA-N 279.340 0.656 0 50 CCAA O=C(CCc1ccon1)N1CCC[C@H]1CN1CCOCC1 614959872 UMEQJWRVXPJOOO-AWEZNQCLSA-N 293.367 0.930 0 50 CCAA CCN(C(=O)[C@H]1C[C@H]2C=C[C@H]1C2)[C@@H]1CC(=O)NC1=O 291415826 CSUKDBGDXPGYES-XWLWVQCSSA-N 262.309 0.462 0 50 CCAA COCc1noc(CNC(=O)[C@H]2Cc3ccccc3O2)n1 220165104 GRKVQPJZXLRYHX-LLVKDONJSA-N 289.291 0.836 0 50 CCAA COCc1nc(CNc2cc(C3CC(N)C3)ncn2)no1 220007014 TYPFDPFNIVEGOE-UHFFFAOYSA-N 290.327 0.823 0 50 CCAA CSCCC(=O)N[C@@H]1CCOC[C@H]1OCCN(C)C 220143979 UVWUJCWXHFCCIQ-VXGBXAGGSA-N 290.429 0.591 0 50 CCAA O=C(O)CN1CCC(NC(=O)[C@H](O)C2CCCCC2)CC1 426662028 AUURNNNHCDLQLR-CQSZACIVSA-N 298.383 0.593 0 50 CCAA Cc1ccn2c(C(=O)NC[C@H]3CCCOC3)nnc2n1 426552096 YJVDLHTXYYDGJA-SNVBAGLBSA-N 275.312 0.589 0 50 CCAA C[C@@H](CNS(=O)(=O)C1CC1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 426401944 POCJFEHXFWZTDD-FRVYIDGWSA-N 299.440 0.139 0 50 CCAA COc1ccc(CN2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)nn1 621317202 RMRNULBCIHFUDW-CMPLNLGQSA-N 290.327 0.218 0 50 CCAA C[C@H](CCNC(=O)c1cncc(F)c1)N1CCN(C)CC1 534588172 KCCVDZKFFHCDTR-GFCCVEGCSA-N 294.374 0.977 0 50 CCAA CN1Cc2ccccc2C[C@@H]1CNS(=O)(=O)N(C)C 823806215 DHMRMQFTJXXRGA-CYBMUJFWSA-N 283.397 0.439 0 50 CCAA O=C1CCCCN1CCCC(=O)N1CCC[C@@H](O)C1 828627419 UFCUJJBAWYIVCL-GFCCVEGCSA-N 268.357 0.762 0 50 CCAA Cc1cccc2ncn(C[C@H]3CN(C)CCN3C)c(=O)c12 584903388 OEDAGYWLKFAPTA-CYBMUJFWSA-N 286.379 0.951 0 50 CCAA CN(C)C(=O)[C@H]1CN(C(=O)CCC(F)(F)F)CCO1 670452479 KJNIIRJBNVAAJG-MRVPVSSYSA-N 282.262 0.645 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NCCc2nc(N)cc(O)n2)n1 670442359 ZPJCHDBEBWXBJP-SNVBAGLBSA-N 290.371 0.799 0 50 CCAA Cc1cc(C)n(CCN(C)CC(=O)NC[C@@H]2CCCO2)n1 670448630 NFBFOZFYRMAFMC-AWEZNQCLSA-N 294.399 0.727 0 50 CCAA CO[C@@H]1CCN(S(=O)(=O)c2cccc3nn(C)nc23)C1 670473088 INHFEMYIMDILBT-SECBINFHSA-N 296.352 0.378 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cnc(C2CC2)nc1 1875272869 APXZVRVFKHWVHA-NSCUHMNNSA-N 261.281 0.813 0 50 CCAA Cc1ccc(CNC(=O)Cn2c(C)noc2=O)cc1F 1875391382 XQWMSSILXMDTPT-UHFFFAOYSA-N 279.271 0.909 0 50 CCAA O=C(c1ns[nH]c1=O)N1CC(O)(c2cccc(F)c2)C1 1875301697 QDQUCUOUHIPCPP-UHFFFAOYSA-N 295.295 0.314 0 50 CCAA C=CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1875374605 ABBWNORVSAPXTL-ZJUUUORDSA-N 270.329 0.659 0 50 CCAA CON1CCC(CC(=O)N2CC[C@H](C)S2(=O)=O)CC1 1875313662 WERRHSQMQRNCJI-JTQLQIEISA-N 290.385 0.601 0 50 CCAA Cc1noc(=O)n1CC(=O)NCc1ccc2c(c1)OCO2 1875391386 YFZSCQAGAJGIEP-UHFFFAOYSA-N 291.263 0.190 0 50 CCAA CN(C)c1c[nH]ccc1=NC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 888100299 NKCDXAKORBWCMJ-AOOOYVTPSA-N 291.355 0.297 0 50 CCAA Cc1nn2c(c1I)C(=O)NCC2 1535380002 XQRSROFVYPADMF-UHFFFAOYSA-N 277.065 0.540 0 50 CCAA COC(=O)[C@H]1CC(=O)CN(C(=O)OC(C)(C)C)C1 96248523 JLMQIJJJKPJVCE-QMMMGPOBSA-N 257.286 0.986 0 50 CCAA in-vitro CNC(=O)C1(C(=O)N2CCC[C@@H]2C[C@@H](C)O)CC1 407967247 PTZMPTJPUMBANC-NXEZZACHSA-N 254.330 0.275 0 50 CCAA NC(=O)[C@H]1CCN(C(=O)NCCSC(F)(F)F)C1 169959346 KPNLUMAJFSPSHO-LURJTMIESA-N 285.291 0.756 0 50 CCAA CNC(=O)CN1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 225453763 JUMPVAHVEDRPPQ-JTQLQIEISA-N 289.326 0.312 0 50 CCAA NC[C@@H](NS(=O)(=O)CCc1cccs1)C1CC1 225426384 YHGMEONUQRNLKB-LLVKDONJSA-N 274.411 0.947 0 50 CCAA Cc1cc(C(=O)N[C@H](c2nc(=O)o[nH]2)C(C)(C)C)ncn1 639430481 URHPORCSBNNINU-SECBINFHSA-N 291.311 0.979 0 50 CCAA NC(=O)C[C@]1(O)CCCN(Cc2cccc3c2OCO3)C1 643745896 YHDDXPXHWLHJNC-OAHLLOKOSA-N 292.335 0.618 0 50 CCAA COC1(C)CN(c2ccccc2S(N)(=O)=O)C1 585092984 XJFQYILFIFOWKT-UHFFFAOYSA-N 256.327 0.559 0 50 CCAA O=C(c1ccc2c(c1)B(O)OC2)N1C[C@H]2CCOC[C@H]2C1 585004437 DUIFKZVYJWECOI-DGCLKSJQSA-N 287.124 0.013 0 50 CCAA Cn1ccc(C(=O)NCC[S@](=O)C(F)(F)F)n1 585127514 BVBYAPLNCRTBRR-KRWDZBQOSA-N 269.248 0.418 0 50 CCAA CCN(CCn1cnnc1C)Cc1nc(C)no1 1506418409 RIVWGRPWPMTTNT-UHFFFAOYSA-N 250.306 0.800 0 50 CCAA CN1CCCCC[C@@H]1C(=O)N1CCO[C@]2(CCNC2)C1 1857704569 XQFGGBZAQLOFNK-HIFRSBDPSA-N 281.400 0.452 0 50 CCAA Cc1c[nH]cc(C(=O)N2C[C@@H](F)C[C@H]2CO)c1=O 408054624 SZRYWIHEJBNEMI-IUCAKERBSA-N 254.261 0.228 0 50 CCAA Cc1nccc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)n1 1704298973 MDTLBRNAATXEJG-DGCLKSJQSA-N 271.324 0.615 0 50 CCAA O=C(COCC(F)(F)F)N1CCOC[C@@H]1c1ncon1 330559720 HKTAWDNSBRZXAO-SSDOTTSWSA-N 295.217 0.548 0 50 CCAA Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@H](N)C1 237928341 JEAIOAFEFMGUDI-ZETCQYMHSA-N 276.749 0.039 0 50 CCAA CC(C)[C@H]1CN(C(=O)CCN2CCOCC2)C[C@@H]1C(=O)O 1616102802 DYHVLNLZDOGVMG-OLZOCXBDSA-N 298.383 0.524 0 50 CCAA O=C(CC1=CCCC1)N1C[C@H]2CNC[C@]2(CO)C1 1772818830 LVCMWMDAUOOPCQ-TZMCWYRMSA-N 250.342 0.527 0 50 CCAA C[C@H](COc1ccccc1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772816467 RNOJEZVUMMFNDG-YUELXQCFSA-N 277.364 0.987 0 50 CCAA CCc1nc(CN2CCCN(C(C)=O)CC2)n[nH]1 157451270 RGGXAPXPWUJACH-UHFFFAOYSA-N 251.334 0.421 0 50 CCAA O=C1CCCN1CC(=O)N1CCO[C@@H](c2cccnc2)C1 1857686073 GVWAEVLWNHAQRO-CYBMUJFWSA-N 289.335 0.604 0 50 CCAA O=C(O)[C@H]1CN(C(=O)OCc2ccccc2)CCN1 4202902 ARLOIFJEXPDJGV-LLVKDONJSA-N 264.281 0.682 0 50 CCAA in-vitro CNC(=O)C[C@@]1(O)CCCN(CCc2ccccn2)C1 643813575 FICSPSGQEIWBPP-HNNXBMFYSA-N 277.368 0.587 0 50 CCAA CCOC[C@@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCNC2)C1 662488123 JYFRGMQJBOOTLW-VXGBXAGGSA-N 292.383 0.985 0 50 CCAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccccc1)C2 1704325832 TWSHJTUAKYHKJE-KGLIPLIRSA-N 260.337 0.976 0 50 CCAA O=C(NCCc1nc[nH]n1)c1cc(C(F)F)ncn1 820851591 XDNZBCCTTPRDIN-UHFFFAOYSA-N 268.227 0.505 0 50 CCAA CO[C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@H]1O 821791742 FAXHZNBAPTZRIN-VXGBXAGGSA-N 267.329 0.225 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCN(C(C)C)C1=O 236916435 ZXWCDKQOGPBJBW-DCAQKATOSA-N 255.362 0.485 0 50 CCAA NC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1 36384513 UNZBIXIRXYCTSE-UHFFFAOYSA-N 268.361 0.132 0 50 CCAA aggregator O=C(O)CCCNC(=O)NCc1ccc2cncn2c1 263330803 CGXUBXMAJROSCO-UHFFFAOYSA-N 276.296 0.998 0 50 CCAA Cc1nc([C@@H]2CN(Cc3cnns3)CCO2)n[nH]1 407948691 KFNYGIHJZSOXDY-VIFPVBQESA-N 266.330 0.538 0 50 CCAA COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 353062585 KITIELFSVBIDKM-RCZSTQMZSA-N 253.298 0.622 0 50 CCAA Cc1nn(C)c(C(=O)N2CCC[C@H]2CO)c1Cl 426634327 RBVPVYYFNYPFRH-QMMMGPOBSA-N 257.721 0.979 0 50 CCAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)C2CCNCC2)C1 381847954 KYANZDJLIKAVKT-LLVKDONJSA-N 288.413 0.269 0 50 CCAA Cc1cc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)n(C)n1 390381744 VKUJLYHLEPBNKX-ZJUUUORDSA-N 265.313 0.846 0 50 CCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)[C@H]1Cc2ccccc2O1 659171262 NIEWMVWHJLLVJC-MVWJERBFSA-N 277.276 0.348 0 50 CCAA O=C1N[C@@H](C(=O)Nc2cnn3cccnc23)C2(CCC2)O1 2325810612 UJQPKPIHJFWVRH-VIFPVBQESA-N 287.279 0.699 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@]2(C1)NCCCNC2=O 2325712144 VQJPSLARAUSIEB-CQSZACIVSA-N 283.372 0.866 0 50 CCAA CNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 470885 HOYVOKXNVNWWHM-UHFFFAOYSA-N 260.290 0.192 0 50 CCAA Cc1cccn2c(=O)c3cc(C(N)=O)n(C)c3nc12 2360229 BDVXNHBJPJVQPP-UHFFFAOYSA-N 256.265 0.594 0 50 CCAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cncc(=O)[nH]3)C[C@H]21 2356134165 BJZAKAZCMUPKPD-RWSFTLGLSA-N 291.351 0.783 0 50 CCAA Cc1nc(CN2CCO[C@@H](c3nnn(C)n3)C2)sc1C 2356168152 RMBJNQGYHWLJOE-SNVBAGLBSA-N 294.384 0.857 0 50 CCAA CSc1ccc(-c2nnn(Cc3nnn[nH]3)n2)cc1 6703537 CSPUAMOVSMOHNN-UHFFFAOYSA-N 274.313 0.623 0 50 CCAA O=C(NCC1CC1)[C@H]1CCCN(S(=O)(=O)C2CC2)C1 173039517 VOQBAYYPONOMBN-NSHDSACASA-N 286.397 0.717 0 50 CCAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1COCCO1 247553535 ZMGQNNGUOHMEAA-GRYCIOLGSA-N 254.330 0.097 0 50 CCAA NCCNC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 864092681 TZOWTMLCKRJAEH-JTQLQIEISA-N 276.258 0.684 0 50 CCAA CCN(C(=O)c1occc1C)[C@H]1CS(=O)(=O)C[C@@H]1O 55404369 JYLLPQYFDGUXDE-UWVGGRQHSA-N 287.337 0.208 0 50 CCAA CCN(CC)[C@H]1CCN(C(=O)N2CCOCC2)C1 135398062 GNZCBTIARUASOY-LBPRGKRZSA-N 255.362 0.855 0 50 CCAA COc1ccc(-n2cnnc2)cc1NC(=O)CC1CNC1 1506422462 RBSQZBRQLCFPKJ-UHFFFAOYSA-N 287.323 0.824 0 50 CCAA C[C@@H]1C[C@@H](S(=O)(=O)N2CC[C@@]3(CCOC3)C2)CCO1 329591610 NWCSNDZBVLAYJS-FRRDWIJNSA-N 289.397 0.996 0 50 CCAA Cn1ncnc1CN1CCCC[C@@H]1c1nc(O)n[nH]1 329578991 KRNQJKMVYSYCRS-MRVPVSSYSA-N 263.305 0.366 0 50 CCAA NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 20631914 HQPXQVZTSAALHP-UHFFFAOYSA-N 254.311 0.570 0 50 CCAA C[C@@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@H]1C(N)=O 284772197 PRSYKVRHIDJNII-ZYHUDNBSSA-N 282.365 0.570 0 50 CCAA CO[C@@]1(C)C[C@H](N(C)C(=O)CN2CCNCC2=O)C1(C)C 237159299 DSHHZFTVFOZMHK-NHYWBVRUSA-N 297.399 0.080 0 50 CCAA CCCc1cnc(C)nc1N1CCN[C@H](C(=O)O)C1 71748028 PEYXCYIZINJJLT-NSHDSACASA-N 264.329 0.600 0 50 CCAA CNC(=O)c1noc(CN2CCO[C@H](C(F)(F)F)C2)n1 71551653 ZGUGRUAIINNWBA-LURJTMIESA-N 294.233 0.192 0 50 CCAA O=C(Cc1ccc(F)cc1Cl)NC[C@@]1(O)CCNC1 215583160 BFFPZBBCFBBBIV-CYBMUJFWSA-N 286.734 0.862 0 50 CCAA COC(=O)[C@@H](C)NC(=O)c1cnn2c(O)cc(C)nc12 242957049 HIICPUIABIYPJL-SSDOTTSWSA-N 278.268 0.035 0 50 CCAA CCc1nccn1CCC(=O)N[C@@H]1CC[C@@H](N)C1 71756981 WRGBPDQDQUMGHA-GHMZBOCLSA-N 250.346 0.832 0 50 CCAA Fc1ccccc1-n1nncc1CN1CCNCC1 70460976 HWWDGQCSDVHVOS-UHFFFAOYSA-N 261.304 0.812 0 50 CCAA COc1ncnc(OC)c1C(=O)NC[C@@H]1CCCNC1 178485244 DWOYHVMHUINMAJ-SECBINFHSA-N 280.328 0.223 0 50 CCAA CC[C@@H](COC)NC(=O)c1nnc2nc(C)ccn12 426711953 BBAGXHKIPXDTSJ-VIFPVBQESA-N 263.301 0.588 0 50 CCAA Cc1cc(C(=O)NCCN2CCOCC2)nc(C)n1 82303251 XUFGQMQFUGADAE-UHFFFAOYSA-N 264.329 0.155 0 50 CCAA O=C(CCCn1cncn1)NCCn1cc(Cl)cn1 223108878 OLKZSYYXIJMVEX-UHFFFAOYSA-N 282.735 0.725 0 50 CCAA C[C@H]1CN(C(=O)Cn2nnc3ccccc32)C[C@H](C)N1 179158233 WMRDPFVOHXBPPE-QWRGUYRKSA-N 273.340 0.640 0 50 CCAA O=C(Cn1cn[nH]c1=O)N1CCC[C@H]2CCC[C@H]21 180575209 CFAOVIFTZVGEDX-NXEZZACHSA-N 250.302 0.363 0 50 CCAA Cc1cccc(C)c1OC1CN(C(=O)CS(C)(=O)=O)C1 222371799 VXLZULBGLIFNLO-UHFFFAOYSA-N 297.376 0.938 0 50 CCAA Cc1nc(O)c(C(=O)N[C@@H](C)c2nc(N)n[nH]2)c(C)c1C 426415226 AEDUGGOUVQVKPA-QMMMGPOBSA-N 290.327 0.904 0 50 CCAA O=C(C[C@H]1COCCN1)N1CCNc2ccccc21 294978175 JNAIDWXTWYJMQA-NSHDSACASA-N 261.325 0.824 0 50 CCAA Cc1cc(N)n(CC(=O)N[C@H](CC(=O)O)C(C)C)n1 222262848 UZSBRHOLPOWTFK-SECBINFHSA-N 268.317 0.389 0 50 CCAA Cc1nonc1OCCn1cc([C@H]2CCCNC2)nn1 95386072 AKCMSJDCXYTPDX-JTQLQIEISA-N 278.316 0.516 0 50 CCAA CNCc1nnc(S[C@H](C)C(=O)N(C)C)n1C 426501870 OUJNAWDUSBCOBF-SSDOTTSWSA-N 257.363 0.103 0 50 CCAA CN(CC1(c2ccccc2)CC1)c1nc(=N)[nH]c(=N)[nH]1 624141892 AEJRCCBWPAFTJU-UHFFFAOYSA-N 270.340 0.865 0 50 CCAA CCN(Cc1nccn1C)C(=O)CN1CCOC1=O 95521667 UFPPRGXVOVARNU-UHFFFAOYSA-N 266.301 0.221 0 50 CCAA CCN(Cc1nc(CSC)no1)[C@H]1COC[C@@H]1O 244707957 KKSGAHKWSPFOFW-IUCAKERBSA-N 273.358 0.514 0 50 CCAA CCc1ccc(CN2CCN(CC(=O)O)C(=O)[C@@H]2C)nc1 244794896 QVUYXYKAIVZJHL-NSHDSACASA-N 291.351 0.761 0 50 CCAA O=C(C1CCCC1)N1CC[C@@]2(O)CCNC[C@H]2C1 253495498 GUHWKEHXYBHXIT-JSGCOSHPSA-N 252.358 0.750 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(Cc3cnc(N4CCCC4)nc3)C[C@H]21 534639322 JQHABHVLVWYWLZ-ITGUQSILSA-N 288.351 0.839 0 50 CCAA CC(C)C1=NO[C@H](C(=O)NCCN2CCCCC2=O)C1 827791877 APQNMRCHZUYLGM-LBPRGKRZSA-N 281.356 0.916 0 50 CCAA Cc1nn[nH]c1C(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 828247875 FCJXMBNNMXOSPM-JTQLQIEISA-N 291.355 0.634 0 50 CCAA CCOCC(=O)N1CCC(C(=O)N2CC[C@@H](CO)C2)CC1 584886408 KFCBBXNHOBAMTP-GFCCVEGCSA-N 298.383 0.102 0 50 CCAA C[C@@H](NC(=O)CCCc1cn[nH]c1)c1nncn1C 584900179 QJOAWSFQNUDTGT-SECBINFHSA-N 262.317 0.738 0 50 CCAA Nc1ccn2ncc(C(=O)NC[C@@H]3CCCO3)c2c1 1553361533 IINVWEGJYRFLPF-JTQLQIEISA-N 260.297 0.825 0 50 CCAA CNC(=O)NCCC(=O)N1CCCc2n[nH]cc2C1 952891116 AFXPKPRLCPOODC-UHFFFAOYSA-N 265.317 0.004 0 50 CCAA NC(=O)c1ccc(C(=O)N2CC(OC(F)(F)F)C2)[nH]1 1875271791 CWQWXYBVXFVIDW-UHFFFAOYSA-N 277.202 0.474 0 50 CCAA O=C(O)[C@@H]1CC=CC[C@@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875291483 AVDZFROJIVPWAI-VPHKHGINSA-N 277.320 0.945 0 50 CCAA CN(C)C/C=C/C(=O)NCCc1ncc2c(n1)CCC2 1875379030 MFNMAPNBXMFMEV-QPJJXVBHSA-N 274.368 0.742 0 50 CCAA CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NS(C)(=O)=O)C2 888098718 KIYWBHNTNWSRMP-WYUUTHIRSA-N 276.402 0.015 0 50 CCAA CCOC1(c2nccn2C)CN(c2nccc(OC)n2)C1 1776005594 KYGWUJLIHABWPT-UHFFFAOYSA-N 289.339 0.971 0 50 CCAA CSC[C@@H](C)C(=O)N1CCN(CCN(C)C)C(=O)C1 585090278 ZWUZRDOSQKDZIC-LLVKDONJSA-N 287.429 0.218 0 50 CCAA CN1C(=O)C[C@@H](NCc2ccns2)[C@@H]1c1ccnn1C 585116677 FMBQILBKOGAIAK-ZWNOBZJWSA-N 291.380 0.938 0 50 CCAA C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@](C)(C(=O)O)C1 585139524 MTAJESUVSALDRF-TVQRCGJNSA-N 265.313 0.912 0 50 CCAA O=C(Cc1ccc2[nH]ncc2c1)N1CC(=O)N(C2CC2)C1 280766031 MIACDQKNGIKMJO-UHFFFAOYSA-N 284.319 0.896 0 50 CCAA C[C@H]1[C@@H](C)N(C(=O)c2cc(C(=O)O)nn2C)CC[S@@]1=O 600867110 RJXIFUIPGGGCBY-RDLWGGRYSA-N 299.352 0.100 0 50 CCAA COC[C@H]1[C@H](NC(=O)CCC(=O)O)[C@H]2CCO[C@H]21 1074635460 FDSXBGUXKAIQQN-IWXIMVSXSA-N 257.286 0.017 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCC(=O)N[C@@H]1C 282219358 UIVNBANBGSRBCI-LDYMZIIASA-N 294.355 0.199 0 50 CCAA C[C@H]1[C@@H](C(=O)NCCN2CCCS2(=O)=O)C1(F)F 408231012 KCJCQMABWRCDBV-YUMQZZPRSA-N 282.312 0.039 0 50 CCAA COc1cc(C)nc(N(C)C[C@@H]2C[C@H](OC)CN2C)n1 671441011 ARKCAKKFGABMHL-RYUDHWBXSA-N 280.372 0.949 0 50 CCAA CCn1ccnc1CN1C[C@@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1529161655 NUMQKCLQIRHLRU-TZMCWYRMSA-N 289.383 0.970 0 50 CCAA COc1cc(N2C[C@H]3C[C@H](O)C[C@H]3C2)nc(OC)n1 1857691935 HFQFIAIBLLVSSK-MYJAWHEDSA-N 265.313 0.701 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)N1CC(N2CCCC2)C1 585130993 IKSXDEGHWPNEDQ-UHFFFAOYSA-N 262.357 0.876 0 50 CCAA c1nc(N2CCN3CCOC[C@@H]3C2)c2[nH]ccc2n1 1772806395 DXECRDCWMRKMSG-JTQLQIEISA-N 259.313 0.479 0 50 CCAA CN1CCCN(CC(=O)N2CCC[C@H]2C2(O)CC2)CC1 1772816544 PIAXEUFBJSYMCW-ZDUSSCGKSA-N 281.400 0.140 0 50 CCAA O=C(Cc1ccccc1F)NCCN1CCOCC1 13744415 RJYAYNQZZXBPRZ-UHFFFAOYSA-N 266.316 0.817 0 50 CCAA O=C(c1ccn2ncnc2c1)N1CCc2c(O)ncnc2C1 1857716274 FFFHVGPPNJRXOP-UHFFFAOYSA-N 296.290 0.423 0 50 CCAA CN(C)S(=O)(=O)Cc1noc(-c2ccco2)n1 225593219 PHWBYDBRFMWDKZ-UHFFFAOYSA-N 257.271 0.721 0 50 CCAA C[C@H]1C[C@@H](CNS(N)(=O)=O)CN1Cc1ccccc1 122115341 PMPPOLPUODHVJS-AAEUAGOBSA-N 283.397 0.690 0 50 CCAA CC(=O)NC[C@H]1CN(C(=O)[C@H](N)c2ccccc2)CCO1 236662127 TXVLJVPANTVLFW-UONOGXRCSA-N 291.351 0.050 0 50 CCAA CNC(=O)c1ccc(C(=O)N[C@H]2COCC2(C)C)cn1 456559880 YMGQZZWUEKDJKF-NSHDSACASA-N 277.324 0.596 0 50 CCAA C[C@H](NS(=O)(=O)c1cnn(C)c1)c1cnn(C)c1 266254519 YHABLBYOGKZNDP-QMMMGPOBSA-N 269.330 0.193 0 50 CCAA CO[C@@H]1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)C1 240499906 NOOGEUSVMZXVAS-GFCCVEGCSA-N 277.324 0.445 0 50 CCAA O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1CC12CCNCC2 253124736 KUEQXGSJOXZKAO-SRVKXCTJSA-N 252.358 0.796 0 50 CCAA NCC[C@H]1CN(C2CSCCSC2)CCO1 426707191 KYNOEBZXBVRZEP-NSHDSACASA-N 262.444 0.885 0 50 CCAA C[C@@H](C(=O)NC1CCCC1)N(C)Cc1ncon1 670457164 TUGCDYGARTYDLS-VIFPVBQESA-N 252.318 0.949 0 50 CCAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1cnc[nH]1 2356137298 JGHDYZTYSRXMKR-CQSZACIVSA-N 278.356 0.359 0 50 CCAA O=C(O)CCCC[C@@H]1SC[C@]2(O)NC(=O)N[C@@H]12 4005944 QLLAHFUXOLMFNJ-KADJCCMJSA-N 260.315 0.117 0 50 CCAA Cc1o[nH]c(=N)c1S(=O)(=O)N[C@H](CN)C1CCCC1 420435737 NAIYYVDIPYXIGZ-SECBINFHSA-N 288.373 0.191 0 50 CCAA O=C1CN2CSC[C@@H]2C(=O)N1Cc1ccccc1 22341761 HXTHJOYMJYEVLK-LLVKDONJSA-N 262.334 0.930 0 50 CCAA CCCN(CCO)C(=O)CCn1c(C)cc(C)nc1=O 55414656 ZUZTYIJFPAUNKG-UHFFFAOYSA-N 281.356 0.481 0 50 CCAA COC[C@H](C)C(=O)N1CC[C@@H](N(C)CCO)[C@H]1C 328592299 VYONIGASQAGGLJ-QJPTWQEYSA-N 258.362 0.182 0 50 CCAA O=C1CCC(C(=O)NCCCC[C@H]2CCCO2)=NN1 67432396 YWQOVASNJXDHEE-JTQLQIEISA-N 267.329 0.718 0 50 CCAA CC(C)n1cc(S(=O)(=O)Nc2ccnn2C)cn1 331231580 IROZQJRNWGXMKK-UHFFFAOYSA-N 269.330 0.998 0 50 CCAA CC[C@@]1(O)CCN(C(=O)c2cnn3cccnc23)C1 331566239 JUOKKQXOBZAKHB-CYBMUJFWSA-N 260.297 0.716 0 50 CCAA O=C(NCCc1ccccc1F)NC[C@@H]1CNCCOC1 72153694 PLVUBQXAZHAFKR-LBPRGKRZSA-N 295.358 0.903 0 50 CCAA N[C@H]1CCN(c2nc(-c3cccnc3)nc3c2CCNC3)C1 71754722 JEULWIVPWHTJOR-LBPRGKRZSA-N 296.378 0.722 0 50 CCAA Cc1noc([C@@H]2CCCN(C(=O)C3(C(=O)O)CC3)C2)n1 154813953 HCJWVNUCAMPLKF-SECBINFHSA-N 279.296 0.949 0 50 CCAA CC(C)(C)c1cc(CN2CC[C@@](O)(C(N)=O)C2)no1 368075912 SEGJKUURAXDCMK-ZDUSSCGKSA-N 267.329 0.394 0 50 CCAA O=C1CNC(=O)N1C[C@@H]1CCCN(Cc2cccnc2)C1 370112768 QCFVAYLJCQHIMO-CYBMUJFWSA-N 288.351 0.845 0 50 CCAA COC[C@@H](NC(=O)c1coc(Br)c1)C(=O)O 262249777 CFYFWDWJXOORIE-ZCFIWIBFSA-N 292.085 0.872 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCCn1cccn1 218965644 KRCSEOJEJUPVRD-MXYBEHONSA-N 293.367 0.829 0 50 CCAA CCCc1ncncc1C(=O)N1CC[C@](O)(CC)[C@H](O)C1 72412234 NQLMTCBWUMXPEF-UKRRQHHQSA-N 293.367 0.777 0 50 CCAA c1cn(C[C@H]2CCCN(CCn3cncn3)C2)cn1 43027874 XRPJQNSZGVFVLQ-ZDUSSCGKSA-N 260.345 0.887 0 50 CCAA COc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CSCN1 178028984 BSUFWCHLHHFZMA-QWRGUYRKSA-N 282.365 0.507 0 50 CCAA CC(C)C(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O 426510516 XAKGCCOQDYVRMW-VXGBXAGGSA-N 283.397 0.851 0 50 CCAA O=C1C[C@]2(CCN(c3ncnc4c3CCC4)C2)C(=O)N1 82139293 XFYMUVZBTSLFEC-AWEZNQCLSA-N 272.308 0.208 0 50 CCAA Cc1n[nH]c(CCNC(=O)CC[C@H]2CCCN(C)C2)n1 95369776 SRNIVCCVEIGPAJ-GFCCVEGCSA-N 279.388 0.894 0 50 CCAA C[C@H](C(=O)c1c[nH]c2ncccc12)N1CCOC[C@H](O)C1 295588269 MIKHBRWVLXNANM-GHMZBOCLSA-N 289.335 0.827 0 50 CCAA Cc1cc(CN2CCN(C(=O)[C@H]3CC[C@H](N)C3)CC2)no1 237729350 BQCGSEXPFZOBIO-STQMWFEESA-N 292.383 0.755 0 50 CCAA CON[N+](=O)N(C)S(=O)(=O)c1ccc(C)cc1 334163116 LWDXGHIKRCSONC-UHFFFAOYSA-N 260.295 0.375 0 50 CCAA Cc1ccc(OCCNC(=O)[C@@H]2C[C@@H](O)CN2)cc1 269186023 HCACXSAPQNMSBG-YPMHNXCESA-N 264.325 0.213 0 50 CCAA O=C(NCC1(CO)CCOCC1)c1cnc(C2CC2)nc1 534655134 KIMNKWMFKCJOQZ-UHFFFAOYSA-N 291.351 0.873 0 50 CCAA O=C(CN1CCCC1)NCc1cnc2cnccn12 670462917 KWAURMMVCNBHTG-UHFFFAOYSA-N 259.313 0.441 0 50 CCAA COCCN1CC[C@@H](CNC(=O)Cc2ccncc2)C1 670457705 MOKUTFQDFPUTOW-AWEZNQCLSA-N 277.368 0.709 0 50 CCAA O=C(c1ccn2ncnc2c1)N1C[C@H]2C[C@H](O)CC[C@H]2C1 1550833507 BNLMCEPNVATDBL-YNEHKIRRSA-N 286.335 0.962 0 50 CCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccncc1)C2 952851437 LFGXUQOKRBDUEB-DOMZBBRYSA-N 289.335 0.306 0 50 CCAA Fc1cnc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)nc1 952890633 XGKRQYQLMORYIX-CBAPKCEASA-N 264.264 0.924 0 50 CCAA C[C@@H]1CNCC[C@H]1CNC(=O)c1ccc(C(=O)O)nc1 1875280214 ZZDLCYWFYSJACT-ZJUUUORDSA-N 277.324 0.755 0 50 CCAA C[C@@H]1CNCCN1C(=O)c1cccc2c1CNC2=O 1875277082 FPMJFIGDEQZPCG-SECBINFHSA-N 259.309 0.364 0 50 CCAA CC(=O)N1[C@H]2CC[C@H]1CC(N1CCCS1(=O)=O)C2 1875321301 CJAAYJAHABYHPG-QWRGUYRKSA-N 272.370 0.564 0 50 CCAA CNC(=O)c1ccc(NC(=O)[C@H](C)NC(C)=O)c(C)c1 952977769 VUCXDBHLPMGRCL-VIFPVBQESA-N 277.324 0.818 0 50 CCAA O=C(CCN1CCCCCC1=O)NCCCn1ccnn1 952989634 WPZDQJGNSIBWBL-UHFFFAOYSA-N 293.371 0.577 0 50 CCAA CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)Cn2cccn2)C1 886086430 URZTZXRKXLJVLC-MJBXVCDLSA-N 292.383 0.641 0 50 CCAA CCn1cc(CN2CCN(C)[C@H](C(=O)O)C2)cn1 244778740 PVRMWQDSYYAMGR-NSHDSACASA-N 252.318 0.104 0 50 CCAA O=C1NC[C@H](O)CC12CCN(Cc1ccoc1)CC2 897041864 NLNIFODFAHZLLG-GFCCVEGCSA-N 264.325 0.743 0 50 CCAA COc1nc(C)cc(C)c1CN(C)C(=O)C1(O)COC1 1363123256 CAVKLZXECMIDAD-UHFFFAOYSA-N 280.324 0.427 0 50 CCAA O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1cncnc1 273713622 LBXKOYSYIMDQFD-GFCCVEGCSA-N 290.367 0.707 0 50 CCAA Cc1c[nH]nc1C(=O)N[C@@H](Cc1ccncc1)C(=O)O 1594267853 OWIVXUVAUQNYII-JTQLQIEISA-N 274.280 0.539 0 50 CCAA COCCCN[C@H]1CCC[C@@H]1CNS(C)(=O)=O 408516902 XLPHGVWZTWWAPM-MNOVXSKESA-N 264.391 0.330 0 50 CCAA COC[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[C@](C)(CN)C1 643545109 SMFUATUMTXYLDP-LALPHHSUSA-N 297.399 0.067 0 50 CCAA CC1(NC(=O)CN2CCCC[C@H](O)C2=O)CCOCC1 644409345 YRLRJSMHWAENOD-NSHDSACASA-N 284.356 0.045 0 50 CCAA CO[C@@H]1CCNC[C@@H]1NC(=O)CCN1CCCCCC1=O 1506415103 KLAZMRYIQFWPQN-QWHCGFSZSA-N 297.399 0.272 0 50 CCAA Cc1noc2ncn(C[C@@](C)(O)C(F)F)c(=O)c12 905964754 HFFQPRNFTDOFOF-SNVBAGLBSA-N 259.212 0.709 0 50 CCAA CC(=O)Nc1nonc1NC(=O)CN1CCC[C@@H](C)C1 1529188829 DONODNZSWGVWAU-MRVPVSSYSA-N 281.316 0.698 0 50 CCAA CCn1nnc(=NC(=O)CCc2c(C)noc2C)[nH]1 1875245931 FTKCSLLJQFTMHL-UHFFFAOYSA-N 264.289 0.291 0 50 CCAA O=S(=O)(c1ccccc1O)N1CC(N[C@@H]2CCOC2)C1 1615055017 GBGIXKZRWITWRV-SNVBAGLBSA-N 298.364 0.144 0 50 CCAA CC(=O)N1CC[C@@H](CNc2cc(C(=O)O)ncn2)C1 1614995855 LSHMXSJBVPXVRD-VIFPVBQESA-N 264.285 0.455 0 50 CCAA N=c1[nH]nc(CCNC(=O)c2cncc(Cl)c2)s1 1857693447 XGFJGRVCDJCCCP-UHFFFAOYSA-N 283.744 0.972 0 50 CCAA CN1CCCN(C(=O)[C@H](O)C2CCCCC2)CC1=O 364774396 GOOKANQSRWMOEA-CYBMUJFWSA-N 268.357 0.618 0 50 CCAA O=C(O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 5731153 IURIKCONOHHESK-MRVPVSSYSA-N 279.701 0.064 0 50 CCAA COCCN1C[C@@H](C(=O)N(C)CC2CCOCC2)CC1=O 162585554 DSFOTINZVJRELX-ZDUSSCGKSA-N 298.383 0.366 0 50 CCAA CCc1nnc([C@]23CCC[C@H]2CN(c2nnnn2C)C3)o1 912368519 IFPGHXMBVUKIEW-ZANVPECISA-N 289.343 0.714 0 50 CCAA CCn1ncc(CN2CCC[C@@](O)(CC(=O)N(C)C)C2)n1 818183960 FYBWIXVONUYRAW-CQSZACIVSA-N 295.387 0.103 0 50 CCAA CCn1nc(C)c(CN2C[C@H](C)[C@H](N3CCOCC3)C2)n1 823476670 AJMGHAZZHDHUJD-SWLSCSKDSA-N 293.415 0.759 0 50 CCAA COc1nccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1 934952583 RPYUXLFRGILWON-QWHCGFSZSA-N 285.303 0.873 0 50 CCAA O=C(N[C@H]1CCNC[C@@H]1O)c1cc(F)cc(Cl)c1 211959672 WYOZDBYBUKCDJT-QWRGUYRKSA-N 272.707 0.932 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)C1Cc2ccccc2C1 236530341 DQBMSASKFFQSBP-OLZOCXBDSA-N 275.304 0.448 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N(C)CCOc1ccccc1 261929436 LMIPZOMBXJCLOK-OCCSQVGLSA-N 278.352 0.901 0 50 CCAA O=C([C@@H]1CNCCO1)N1CCN(Cc2cccs2)CC1 43709826 KHEKSQFQJIMURK-ZDUSSCGKSA-N 295.408 0.381 0 50 CCAA COc1ccc(C(=O)N2CC(O)(C(F)F)C2)cn1 425009448 KSJSUGBDSHSCTP-UHFFFAOYSA-N 258.224 0.542 0 50 CCAA CC(C)OCCC(=O)N1CCC[C@](O)(C(=N)O)C1 330581253 RQPLACQYZSVACC-GFCCVEGCSA-N 258.318 0.690 0 50 CCAA Cc1nn(C)c(C(=O)N2CCC[C@@H]2CO)c1Cl 426491564 RBVPVYYFNYPFRH-MRVPVSSYSA-N 257.721 0.979 0 50 CCAA O=C1COC2(CCN(CCn3cc(Cl)cn3)CC2)CN1 2356145279 JIBAVCFVNOCXCD-UHFFFAOYSA-N 298.774 0.518 0 50 CCAA CNC(=O)CC(=O)NC[C@H]1COC2(CCCCCC2)O1 119025035 IBAIBVYUQBGTJQ-NSHDSACASA-N 284.356 0.705 0 50 CCAA Cc1noc(C)c1-n1c([C@@H]2CCCN(C)C2)n[nH]c1=O 65417760 KYUNPNNCCMKSEQ-SNVBAGLBSA-N 277.328 0.975 0 50 CCAA Nc1nc(NCC2CCOCC2)cc(N2CCOCC2)n1 65381442 KOIBZIXNASDCPW-UHFFFAOYSA-N 293.371 0.734 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)Cc2ccon2)[C@@H]1C(=O)O 424365069 GCGWIZZPCBGJHS-SCZZXKLOSA-N 288.325 0.690 0 50 CCAA C[C@H]1CN(C(=O)C(=O)N[C@H](C)c2cccnc2)C[C@@H](C)O1 283056402 KFSPKGIOJCXURS-GRYCIOLGSA-N 291.351 0.895 0 50 CCAA COC(=O)CC(=O)Nc1ccccc1C(=O)N(C)C 20113946 MIYXQUAIWFHIMP-UHFFFAOYSA-N 264.281 0.890 0 50 CCAA CCC[C@@]1(CO)CCCN1C(=O)[C@@H](C)n1cncn1 331284619 FXOAFYFRABDSQP-YPMHNXCESA-N 266.345 0.993 0 50 CCAA Cn1cc([C@@H]2CCN(c3cncc(OCCO)n3)C2)cn1 132796577 KMNOYKDECOULIA-LLVKDONJSA-N 289.339 0.575 0 50 CCAA Cc1cc(=O)[nH]c(CCNC(=O)c2cnn(C(C)C)c2)n1 77563950 LZPZKOCHPBWYJN-UHFFFAOYSA-N 289.339 0.828 0 50 CCAA COC[C@]1(C(=O)O)CCCN(C(=O)COC(C)C)C1 262900025 MEYCUQGSCSQYMT-ZDUSSCGKSA-N 273.329 0.751 0 50 CCAA CCc1cc(N[C@@H](CO)C(N)=O)n2nc(C)c(C)c2n1 72474951 PYOKPQVASYXMEZ-JTQLQIEISA-N 277.328 0.167 0 50 CCAA O=C(c1ccc2c(c1)OCCO2)N1CCOC[C@H](CO)C1 77454650 YBOCTOWWDOUKKL-NSHDSACASA-N 293.319 0.539 0 50 CCAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccnc2)C1 40496327 JPZOALYNQOXSDN-JTQLQIEISA-N 283.353 0.692 0 50 CCAA CCCCS(=O)(=O)NC[C@@H]1CC(=O)N(C(C)C)C1 74863830 VAZFUWXGOSNDHZ-NSHDSACASA-N 276.402 0.963 0 50 CCAA CC(C)n1cnnc1CN(C)C(=O)c1ccc[nH]c1=O 82106319 SNNUKMNZRHAVPU-UHFFFAOYSA-N 275.312 0.820 0 50 CCAA CCN(C(=O)Nc1ccc(F)nc1)[C@H]1COC[C@@H]1O 426439092 XBDGZLFLWOURRF-UWVGGRQHSA-N 269.276 0.834 0 50 CCAA CCn1c(C)ccc(C(=O)NCCc2cc[nH]n2)c1=O 426510410 RZHYBTGHYXCUNH-UHFFFAOYSA-N 274.324 0.872 0 50 CCAA CC(C)n1ccc(C(=O)NCC(C)(C)OCCO)n1 291694222 DRJTXZQNNYINON-UHFFFAOYSA-N 269.345 0.981 0 50 CCAA CCn1ccc(CSc2nnc(CCN)n2C)n1 426734543 SOYGTAJNAVAUIL-UHFFFAOYSA-N 266.374 0.825 0 50 CCAA CN(C[C@H]1CCOC1)C(=O)CN1C(=O)N=C(O)C1(C)C 330192116 XNMSRJZBJFFYJF-SECBINFHSA-N 283.328 0.652 0 50 CCAA CCOC(=O)N1CCC(N[C@H]2CNC[C@@H]2OC)CC1 426412719 OKANOMUTSZUECO-RYUDHWBXSA-N 271.361 0.184 0 50 CCAA Cc1nnc(CNS(=O)(=O)c2ccccn2)n1C1CC1 163344673 LPXVMPYYZBKWDK-UHFFFAOYSA-N 293.352 0.795 0 50 CCAA O=C(O)c1ccc(CNCCN2CCOCC2)cc1 95881881 UIZOJGGEVZCPOP-UHFFFAOYSA-N 264.325 0.807 0 50 CCAA CCN1C[C@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](OC)C1 534662129 AJBKZMULSJEJDX-KBPBESRZSA-N 297.399 0.080 0 50 CCAA C[C@@H](CS(C)(=O)=O)NCC1(CN2CCCC2)CC1 534640808 HKVBPCHZPQDITF-LBPRGKRZSA-N 274.430 0.885 0 50 CCAA Cc1nc(C)c(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)s1 1940196436 LMYMJJYIXJRCAM-ZYUZMQFOSA-N 284.337 0.017 0 50 CCAA Cc1c[nH]ccc1=NCCNC(=O)[C@H](C)N1CCCC1=O 827635954 SBMVRGXTMDWKJJ-LBPRGKRZSA-N 290.367 0.351 0 50 CCAA O=C1CCc2c1cccc2C(=O)N[C@@H]1CCNC[C@H]1O 584897062 KEPQLXCASKKBJY-TZMCWYRMSA-N 274.320 0.268 0 50 CCAA O=C(N[C@@H]1CNCC[C@@H]1CO)OCc1ccccc1 584904627 PPUYMKVLQPLGDY-CHWSQXEVSA-N 264.325 0.883 0 50 CCAA CN(C)C(=O)[C@@H]1CN(C(=O)CCCc2cn[nH]c2)CCO1 584898598 NWIDMLCRFWTOGJ-LBPRGKRZSA-N 294.355 0.048 0 50 CCAA CCC[C@H](NC(C)=O)C(=O)NCc1nonc1C 584885805 BQZCLVPHYMENIH-VIFPVBQESA-N 254.290 0.299 0 50 CCAA O=C1CC[C@@H](C(=O)N=c2nc(C3CC3)[nH]s2)N1 1875268305 PNUNRSAZNKMFAN-LURJTMIESA-N 252.299 0.055 0 50 CCAA CS(=O)(=O)NC(=O)CCc1nncn1-c1ccccc1 1875391283 YZMRCRLKDIKSTK-UHFFFAOYSA-N 294.336 0.276 0 50 CCAA CS(=O)(=O)NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 1875391130 ANKARMCHWMQCCK-GXFFZTMASA-N 281.333 0.803 0 50 CCAA CON1CCC(CC(=O)N2CCN[C@H](C)[C@@H]2C)CC1 888096359 CRBRKFSKGZDIQQ-NEPJUHHUSA-N 269.389 0.859 0 50 CCAA Cn1cc(Cl)c(C(=O)N[C@@](C)(CO)CCF)n1 888100505 APIVOJNLGPPUIA-SNVBAGLBSA-N 263.700 0.914 0 50 CCAA O=C(NCC(F)(F)CO)[C@@H]1CCCO[C@H]1c1cc[nH]n1 886034156 YYQMASDIIJIRDF-PSASIEDQSA-N 289.282 0.621 0 50 CCAA O=c1c2ccc(F)cc2nnn1C[C@@H](O)C(F)(F)F 887268900 XWDPTILNUGKIFD-MRVPVSSYSA-N 277.177 0.854 0 50 CCAA CN1C[C@@H](C(=O)NCc2cn(C)cn2)c2ccccc2C1=O 890107617 NDNWGBMFGQFTEK-CQSZACIVSA-N 298.346 0.906 0 50 CCAA Cn1nc(NC(=O)Cn2cnnn2)cc1C(F)(F)F 1772133198 UPBYNKOIMLWNQL-UHFFFAOYSA-N 275.194 0.064 0 50 CCAA CCc1nn(C)cc1C(=O)N1CCO[C@]2(CCOC2)C1 186050825 ZPSBXGJUNJAYLE-CQSZACIVSA-N 279.340 0.614 0 50 CCAA Cc1nc(S(=O)(=O)NC(=O)C2CC2)sc1C 408493719 GYYGRSFVQUMWOZ-UHFFFAOYSA-N 260.340 0.975 0 50 CCAA CN1CCN(C(=O)CCN2CCSC[C@H]2C2CC2)CC1 408519446 KECJRSFUENYXOR-AWEZNQCLSA-N 297.468 0.978 0 50 CCAA O=C(CCn1cccn1)NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 408501446 RBSFESNAOZSHAM-GRYCIOLGSA-N 297.380 0.908 0 50 CCAA CC1(C)COCCN1CCNC(=O)c1cc[nH]n1 170863407 ZNZMXQTZZFKOGI-UHFFFAOYSA-N 252.318 0.250 0 50 CCAA CCCC[C@@H](N)C(=O)N1CCCC2(C1)OCCO2 195554536 AUVSFIWTBNNGCN-LLVKDONJSA-N 256.346 0.869 0 50 CCAA O=C(c1n[nH]c2c1CCCC2)N1CCc2nnc(O)cc2C1 681375645 XFRGQYSUPVPPGH-UHFFFAOYSA-N 299.334 0.983 0 50 CCAA CC[C@@H]1C=CCN1C(=O)CSc1nc(N)n[nH]1 1506414820 SIVQEHBTNZJGIY-SSDOTTSWSA-N 253.331 0.656 0 50 CCAA CC[C@H](C)[C@@H](NC)C(=O)N(CCO)Cc1ncc[nH]1 1704312800 ZMMMYCWTIXIGLX-CMPLNLGQSA-N 268.361 0.365 0 50 CCAA Nc1ccn2ncc(C(=O)N[C@@]34COC[C@@H]3C4)c2c1 1614616101 GCNMRXOTTNABGT-SDBXPKJASA-N 258.281 0.435 0 50 CCAA CCc1ccnc(C(=O)N2CCCS(=O)(=O)CC2)c1 408101429 MLBVEFKTFLDRRT-UHFFFAOYSA-N 282.365 0.905 0 50 CCAA CSc1cccc(CC(=O)N[C@H]2CCNC[C@@H]2O)c1 216648484 JJEMEXAXYAPBRG-STQMWFEESA-N 280.393 0.790 0 50 CCAA CCS(=O)(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 14963990 XNWDWFZRWFWCKU-ZDUSSCGKSA-N 296.392 0.769 0 50 CCAA Nc1cncc(N2CCC[C@@H](CN3CCCC3=O)C2)n1 1857678046 AKPGAHQEVNTYNH-LLVKDONJSA-N 275.356 0.898 0 50 CCAA O=C([C@H]1CCOC1)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3)C1 1857694588 DXIKVQZRDYGTFP-RMRHIDDWSA-N 280.368 0.535 0 50 CCAA O=C(c1cscn1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857731644 NNAHTFUHBSDOEQ-MFKMUULPSA-N 293.348 0.707 0 50 CCAA O=C(N[C@@H]1C[C@H]2CO[C@H](C3CC3)CN2C1)c1cnc[nH]1 1857735679 GODKAMJRODMXEF-MDZLAQPJSA-N 276.340 0.391 0 50 CCAA CCC[C@]1(CO)CCN(C(=O)c2ncccc2O)C[C@H]1O 1875243290 ZPWFCXCHYWTUDY-IUODEOHRSA-N 294.351 0.773 0 50 CCAA COCCN1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CC1=O 408473319 LNMNOAYOUAJYCF-JSGCOSHPSA-N 298.383 0.712 0 50 CCAA CN(C)C(=O)NCCN(C)c1ncnc2[nH]c(=N)ccc12 428157400 PFTHCVVHFRNRQG-UHFFFAOYSA-N 289.343 0.145 0 50 CCAA CC[C@@H](C)N1CCN(C(=O)c2ccc3nn[nH]c3n2)CC1 333174033 OHNUHNICBMFIML-SNVBAGLBSA-N 288.355 0.909 0 50 CCAA O=C1[C@@H](NC(=O)C2(C(=O)O)CC2)CCN1CC(F)(F)F 154886130 OJKBREDRHDPAPB-LURJTMIESA-N 294.229 0.131 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(c1ncccc1F)C2 1704307704 DHZJQUJKLPXDTM-MNOVXSKESA-N 251.305 0.988 0 50 CCAA CC(C)c1nsc(CN2CC(N3CCNC3=O)C2)n1 930615969 BHIZEOKCLRYVSL-UHFFFAOYSA-N 281.385 0.871 0 50 CCAA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(N)=O)CC1 1857779812 NJTWMGWGXACTPK-NSHDSACASA-N 289.401 0.734 0 50 CCAA O=C(O)[C@H]1[C@H](C(=O)Nc2cccnc2)[C@H]2C=C[C@H]1O2 239235653 WKVLWXBEDYOYLD-GWOFURMSSA-N 260.249 0.674 0 50 CCAA CN1C[C@@H](NC(=O)[C@H](CN)c2ccccc2)CC1=O 261617798 UHDHNYVYMXCJOF-NWDGAFQWSA-N 261.325 0.076 0 50 CCAA CN1CC[C@@H](Nc2cccc(S(C)(=O)=O)c2)C1=O 176903744 OFHSSFVOWHRTHH-LLVKDONJSA-N 268.338 0.733 0 50 CCAA O=C(NCc1cc(F)cc(F)c1)[C@H]1C[C@@H](O)CN1 299748723 HYUUEBYIACHXGO-GHMZBOCLSA-N 256.252 0.304 0 50 CCAA Cc1nc([C@@H]2CCCCN2Cc2nnnn2C)n[nH]1 407983739 SAVQNRZLWYQFCC-VIFPVBQESA-N 262.321 0.364 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)[C@H]1CO 408076381 IAUSLCKWQGBPOB-BREBYQMCSA-N 278.356 0.529 0 50 CCAA Cn1cccc(C(=O)NCc2cccc(CO)c2)c1=O 355705620 NGNSRASLNFWNCK-UHFFFAOYSA-N 272.304 0.808 0 50 CCAA C[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)CC[C@@H]1C(=O)O 380213152 ICKJKMDKWPIPSQ-ZJUUUORDSA-N 284.356 0.718 0 50 CCAA NS(=O)(=O)C1(CNc2ncc(F)cn2)CCC1 721534552 CAPIGQVGVANTJI-UHFFFAOYSA-N 260.294 0.239 0 50 CCAA Cc1c[n+]([O-])c(N)c(C(=O)OCc2ccccc2)n1 331430 LCHRUGHJCNZXCM-UHFFFAOYSA-N 259.265 0.963 0 50 CCAA CCn1cc(NC(=O)c2ccc3ncnn3c2)c(C(N)=O)n1 2325840517 DAEPKILDVHXPDE-UHFFFAOYSA-N 299.294 0.297 0 50 CCAA CN1CC[C@@](O)(CNC(=O)c2cnc3cc[nH]c3c2)C1 879484716 XPTQRWAYZQPQCV-CQSZACIVSA-N 274.324 0.359 0 50 CCAA Cc1ccc(N2C[C@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 50543 MEDOHCUNFJVPGQ-VXGBXAGGSA-N 276.336 0.845 0 50 CCAA CC1(C)OC[C@H](CNC(=O)NC[C@@H]2COC(C)(C)O2)O1 403262 RPNILTMIKUTCIE-AOOOYVTPSA-N 288.344 0.589 0 50 CCAA Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 874832 OJMPLCRVIRCWAV-JTQLQIEISA-N 256.327 0.726 0 50 CCAA CCOC(=O)[C@H](NC(C)=O)[C@H](O)c1cccc(N)c1 2124314 KORALONGOVHBBY-VXGBXAGGSA-N 266.297 0.370 0 50 CCAA biogenic COC(=O)c1ccc(NC(=S)NCCO)cc1 2340538 LGHQQUGQKRRNDR-UHFFFAOYSA-N 254.311 0.752 0 50 CCAA Cc1csc(N(CCC(N)=O)CCC(N)=O)n1 2900000 WMPBBOQCNXMRHM-UHFFFAOYSA-N 256.331 0.009 0 50 CCAA CCOC(=O)C(C(=O)OCC)[C@H]1C=CS(=O)(=O)C1 4745583 OBJCFNOZRVGMTK-QMMMGPOBSA-N 276.310 0.287 0 50 CCAA O=C(O)[C@H]1CC(=O)N(Cc2nnc3n2CCCCC3)C1 65464443 BAMZRSPVSHHGOC-VIFPVBQESA-N 278.312 0.438 0 50 CCAA C[C@H]1CCCN(C(=O)CCN2CCNC(=O)C2)C1 65387916 HDYRCZDYIFSIGH-NSHDSACASA-N 253.346 0.067 0 50 CCAA CC(C)[C@@H]1NC(=O)N(Cc2ncc3c(n2)CCOC3)C1=O 348356431 COEXXHWDUYZCAI-LBPRGKRZSA-N 290.323 0.626 0 50 CCAA CSc1nn(C)c(NC(=O)C[C@@H]2CCCO2)c1C(N)=O 330793131 CGERAMOWFNTMKD-ZETCQYMHSA-N 298.368 0.749 0 50 CCAA O=C(O)CNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 238190109 QVEXOBXOKAKGTG-QWRGUYRKSA-N 282.340 0.616 0 50 CCAA CCn1ncnc1CN1CCC(N2CCC[C@@H](O)C2)CC1 215215675 FXHXTXWFBKGYBO-CQSZACIVSA-N 293.415 0.719 0 50 CCAA CCN1C(=O)[C@@H]2CN(Cc3cccnc3C)CCN2C1=O 362009650 JDZVZSPEDGDIKT-ZDUSSCGKSA-N 288.351 0.858 0 50 CCAA CCn1ccc(C(=O)NC[C@](O)(CC)CCCO)cc1=O 216136688 HMMYWUBKBSYARV-HNNXBMFYSA-N 296.367 0.512 0 50 CCAA N=c1cc(CN2CCC[C@@H](N3CCNC3=O)C2)cc[nH]1 365835299 DWMZITNHNKKXIL-GFCCVEGCSA-N 275.356 0.484 0 50 CCAA CN(C)[C@H]1CN(C(=O)CCc2ccccc2F)C[C@@H]1O 219755465 CEWIZKFIJBKNEU-KBPBESRZSA-N 280.343 0.892 0 50 CCAA CN1CCC[C@@H](N2CCN(C(=O)C3(O)CCCC3)CC2)C1 369340732 AJEHFBYUVYOFMG-CQSZACIVSA-N 295.427 0.530 0 50 CCAA O=C(N1CCCC1)N1CCC(C(=O)O)(n2ccnc2)CC1 72409366 YIDBQRUPNBKSHR-UHFFFAOYSA-N 292.339 0.975 0 50 CCAA N[C@H](CNC(=O)c1c[nH]nc1-c1ccncc1)C1CC1 261976025 VFKGTFMRVZKLBN-GFCCVEGCSA-N 271.324 0.939 0 50 CCAA CC(=O)c1cc(C(=O)Nc2nc(C)n(C)n2)n(C)c1 293628541 GFZNBYRFMJMIDJ-UHFFFAOYSA-N 261.285 0.917 0 50 CCAA CN(Cc1ncon1)C(=O)[C@H](CO)c1ccccc1 613285417 MIIHCGCRWCRTSJ-LLVKDONJSA-N 261.281 0.804 0 50 CCAA O=C(COC[C@H]1CCCO1)N1CCC(c2ncon2)CC1 426571871 ZOQMXHAQMZOCEU-GFCCVEGCSA-N 295.339 0.971 0 50 CCAA CCn1cc(CNC(=O)N2CCCC[C@H]2CO)cn1 426379608 CUGPJXBPRRIYAO-LBPRGKRZSA-N 266.345 0.959 0 50 CCAA CCCn1cc(CNC(=O)C(C)(C)NC(C)=O)cn1 426372214 KSJBCYYBKJEALO-UHFFFAOYSA-N 266.345 0.824 0 50 CCAA CCCCNC(=O)Cn1cnc2cnccc2c1=O 181271015 DYVCCKHLWZMRCR-UHFFFAOYSA-N 260.297 0.708 0 50 CCAA NC(=O)[C@@H]1CN(C(=O)CC[C@@H](N)c2ccccc2)CCO1 237899833 JDFWERMYYLXJRZ-OLZOCXBDSA-N 291.351 0.179 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 250581571 BDISLHPIKVZWDN-BGZDPUMWSA-N 255.270 0.918 0 50 CCAA COC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3CN2)CCO1 269058965 IXVOLUSSDXRIOT-LSDHHAIUSA-N 290.363 0.575 0 50 CCAA O=C(CCn1cnnn1)Nc1nnc([C@@H]2CCCO2)s1 524733285 DMSXHFCFIAQVIS-ZETCQYMHSA-N 295.328 0.405 0 50 CCAA COC[C@H](c1ccccn1)N(C)CC(=O)N1CCOCC1 252494388 NUHXWUQORPRQBW-CQSZACIVSA-N 293.367 0.560 0 50 CCAA CCS(=O)(=O)NC[C@H](C)NCc1nccn1C(C)C 534662605 MLLXFEAUJQLADX-NSHDSACASA-N 288.417 0.881 0 50 CCAA C[C@@]1(C(=O)O)CCCN1Cc1cc(O)nc(O)n1 534642127 WGKQNRWTFOXQAI-NSHDSACASA-N 253.258 0.327 0 50 CCAA CCO[C@H](C)C(=O)N(C)Cc1nc(CCOC)no1 268342837 PNFXTJVHFBGIJT-SECBINFHSA-N 271.317 0.642 0 50 CCAA CCCS(=O)(=O)NC[C@@H](C)NCc1cscn1 534652293 BPMVHKOXPRPZPD-SECBINFHSA-N 277.415 0.951 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CC[C@@](C)(O)[C@@H](O)C1 96151900 KOMZPCGEBGUPIR-CMPLNLGQSA-N 272.732 0.636 0 50 CCAA COCC(=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 824313836 YUMNXACSOFTECG-WHCAJBEMSA-N 291.355 0.484 0 50 CCAA COCCN1CCC[C@@H](CNC(=O)CN2CCCC2)C1 824413214 WJFCDULRGAEHRK-AWEZNQCLSA-N 283.416 0.557 0 50 CCAA CCOC(=O)N1CC[C@H](NCC2(CO)CCOCC2)C1 823241561 OPSBKGZOCXQKJK-LBPRGKRZSA-N 286.372 0.596 0 50 CCAA COCCn1cncc1CNC(=O)CCn1cc(C)cn1 584885933 HCJQZRZGKZRRHY-UHFFFAOYSA-N 291.355 0.741 0 50 CCAA COCCn1cnnc1CN(C)C(=O)c1nc(C)c[nH]1 584900491 APNBUIPJUPJWGX-UHFFFAOYSA-N 278.316 0.228 0 50 CCAA CNC(=O)[C@H]1CCCCN1C(=O)CCc1cnn(C)c1C 270188412 ABPSAVRNHLBZBO-CYBMUJFWSA-N 292.383 0.788 0 50 CCAA CN(C)CCN1CCN(C[C@@H]2CCCCO2)CCC1=O 670460429 ZWBTVYYAJQIYKY-AWEZNQCLSA-N 283.416 0.651 0 50 CCAA CS(=O)(=O)CCN1CCC[C@@H](CN2CCCC2=O)C1 670455484 SEFYGRTWUPFCBB-GFCCVEGCSA-N 288.413 0.365 0 50 CCAA CCc1nnc(N2CC(c3cc[nH]c(=N)n3)C2)nc1CC 1875288373 YOQWWCKASOWCFA-UHFFFAOYSA-N 285.355 0.803 0 50 CCAA CN(C)C(=O)C[C@@H]1CN(c2ccnc(O)c2)C[C@H]1O 1875398371 NGCPNVWADHJZFQ-MWLCHTKSSA-N 265.313 0.063 0 50 CCAA NC(=O)C[C@@H]1CN(c2cc(C(F)(F)F)cnn2)C[C@H]1O 1875398577 WVZAPAWNWZFZEX-HTRCEHHLSA-N 290.245 0.168 0 50 CCAA CN(C)Cc1cc(O[C@H]2CCN(CC(N)=O)C2)ccn1 886068643 FXBOMJVBHWZRFZ-ZDUSSCGKSA-N 278.356 0.082 0 50 CCAA CCS(=O)(=O)N1CCC[C@@](O)(Cc2nc(C)no2)C1 886027367 VLDAVWZYFKSECT-LLVKDONJSA-N 289.357 0.097 0 50 CCAA Cn1ncc(CNC(=O)N2CCC[C@H]2C(F)F)n1 1340136081 ZNOQTKGAFLSKKZ-QMMMGPOBSA-N 259.260 0.754 0 50 CCAA Cc1conc1C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 631551796 NQWLSHFHRDCDBZ-ZYHUDNBSSA-N 279.340 0.776 0 50 CCAA Cc1nc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)O)cn1C 275196589 GBVLHDGGMKNDIP-LURJTMIESA-N 297.283 0.115 0 50 CCAA CCN1CCCN(S(=O)(=O)c2ccccc2N)CC1=O 276085193 AFPZNGTWJXYPCH-UHFFFAOYSA-N 297.380 0.512 0 50 CCAA C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)CCc1nn[nH]n1 633065486 JYMFGNNDMHNIPF-GHMZBOCLSA-N 278.360 0.218 0 50 CCAA C[C@H](N[C@H]1CCC[C@H]1C)C(=O)N1CCC(C(N)=O)CC1 407967149 PAFPWXBQIFALOX-MDZLAQPJSA-N 281.400 0.877 0 50 CCAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nn1ccc(O)nc1=O 585128517 DJZDBCAJOHQZNT-GUBZILKMSA-N 263.297 0.845 0 50 CCAA NC(=O)N1CC[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)C1 408113936 ZDEINISNZYYTRS-HBNTYKKESA-N 269.345 0.197 0 50 CCAA CC(C)(C(=O)N[C@@H]1CCCc2c[nH]nc21)S(C)(=O)=O 408109535 XTGJSQZZUMDJMV-SECBINFHSA-N 285.369 0.727 0 50 CCAA COC(=O)CN(C)[C@@H](c1ccccc1)c1nc[nH]n1 408524027 PNBGRGMKOOSZGH-LBPRGKRZSA-N 260.297 0.999 0 50 CCAA Cc1nn(CC(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)c(=O)o1 640372709 VUPZODRMWIHXCS-OCCSQVGLSA-N 293.323 0.315 0 50 CCAA O=C(N[C@@H](CO)C1CCC1)c1cnnn1C1CCNCC1 662853053 OBAHFRSJVHTWIB-LBPRGKRZSA-N 293.371 0.093 0 50 CCAA CNc1ncc(C(=O)NCC[C@@H]2CCCN2C)cn1 97527412 VOAZENUUQSJOEJ-NSHDSACASA-N 263.345 0.732 0 50 CCAA CC1=C(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)OCCO1 1506427414 LMARFIDZRIADOY-STQMWFEESA-N 296.367 0.322 0 50 CCAA CN(C)C[C@@H]1COCCN(Cc2ccnn2C)C1 1529172943 LBUGTSYFIFUXPG-LBPRGKRZSA-N 252.362 0.430 0 50 CCAA Cc1ncc(CN(CCO)C(=O)COC[C@H]2CCCO2)[nH]1 1704308469 RTSFQLGVTKAJQC-CYBMUJFWSA-N 297.355 0.235 0 50 CCAA COCCNC(=O)C(=O)Nc1ccccc1OC 2903084 WKECUSHCDMBEST-UHFFFAOYSA-N 252.270 0.396 0 50 CCAA COCCN1CCN(C(=O)c2cscn2)CC1=O 120879843 KVBADGMDFBCOND-UHFFFAOYSA-N 269.326 0.074 0 50 CCAA NS(=O)(=O)c1ccc(NC(=O)CN2CCCC2)cc1 1036661 CRDXWPKUELSCSF-UHFFFAOYSA-N 283.353 0.368 0 50 CCAA COCCNC(=O)c1cc(S(=O)(=O)N(C)C)cs1 16651514 ULACSGCMMQFXHW-UHFFFAOYSA-N 292.382 0.375 0 50 CCAA O=C(Cc1cccs1)NCCN1CCOCC1 19792627 QPBCBQNJJPLODZ-UHFFFAOYSA-N 254.355 0.739 0 50 CCAA Cc1cn2nc(C(=O)NCc3ccncc3)cc2c(=O)[nH]1 169770748 JKVAETSJMXVOAR-UHFFFAOYSA-N 283.291 0.656 0 50 CCAA C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O 207490393 CYRRXYLLNDVBCL-RKDXNWHRSA-N 286.328 0.975 0 50 CCAA Cc1cccc(C(=O)NN2C[C@H](C(=O)O)CC2=O)c1 4555495 GBXFOHHYIXXBOX-SNVBAGLBSA-N 262.265 0.573 0 50 CCAA C[C@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)O)CC2)C1 237539238 OGSOVLMYLBBFSE-STQMWFEESA-N 297.399 0.384 0 50 CCAA CCc1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)n[nH]1 262834237 SJVNKJLYHBKDSK-VIFPVBQESA-N 267.285 0.288 0 50 CCAA NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 4511331 KUUSCYUORGYNGV-UHFFFAOYSA-N 286.328 0.712 0 50 CCAA Cn1nccc1C(=O)NCc1cn(CC2CC2)nn1 905058520 IXOBEUWKLOBUMQ-UHFFFAOYSA-N 260.301 0.352 0 50 CCAA O=C(NOC[C@@H]1CCOC1)[C@H]1CCCn2nccc21 818866337 MHCGFYSWNBMYMF-MNOVXSKESA-N 265.313 0.845 0 50 CCAA CCOC(=O)[C@H]1[C@H]2CN(CC3OCCO3)CC[C@H]21 932058197 LZULXMVKMWZQRW-JFGNBEQYSA-N 255.314 0.490 0 50 CCAA CC(=O)N[C@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)C1 228327130 SCKSUAMROHZFTM-NSHDSACASA-N 272.308 0.914 0 50 CCAA CC(=O)NCc1ccc(C(=O)N2CCNC[C@@H]2C)cc1 126455086 WFXGGKIWXKKCPW-NSHDSACASA-N 275.352 0.757 0 50 CCAA Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](O)C2)o1 334690167 QUEFAANPYRTJGS-PSASIEDQSA-N 259.327 0.979 0 50 CCAA O=C(NCCc1nccs1)[C@H]1CNCCOC1 649303685 SUVARFRXSZOEBM-VIFPVBQESA-N 255.343 0.038 0 50 CCAA COC[C@@H]1CN(C(=O)CNCC(F)(F)F)CCO1 369629563 LVUUNAGYNSVXJR-QMMMGPOBSA-N 270.251 0.012 0 50 CCAA C[C@H]1CCCN(C(=O)CN2CCNC(=O)CC2(C)C)C1 931205835 IZUUXIOBBQKMBE-LBPRGKRZSA-N 281.400 0.845 0 50 CCAA Ic1ccnc(N2CCOCC2)n1 331097 HRVDEVXJLNBVAU-UHFFFAOYSA-N 291.092 0.918 0 50 CCAA COc1ccc(S(=O)(=O)N2CCC[C@H]3CNC[C@H]32)cn1 331829056 QILXESWRMQJCAD-CMPLNLGQSA-N 297.380 0.463 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)CCN2)C1 2325712151 XQVMNVKTUHZXND-CYBMUJFWSA-N 269.345 0.476 0 50 CCAA O=C1NC(=O)[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)N1 2635395 YTHRHFDCECODBU-NSHDSACASA-N 284.268 0.038 0 50 CCAA O=C(NCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 50451656 HHDSGPCLPXVQEK-MRVPVSSYSA-N 274.367 0.237 0 50 CCAA O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(CCO)C(=O)[C@H]21 100500971 BYJRWLZLNXNCIP-IGHBBLSQSA-N 285.299 0.434 0 50 CCAA CN1CC[C@@H](NC(=O)COCc2ccccc2)C1=O 172552285 GSSVSVXJXJFBPL-GFCCVEGCSA-N 262.309 0.550 0 50 CCAA CCn1nncc1C(=O)N1CCN[C@H](c2cccnc2)C1 329160262 FCFDTZQVXUZJBG-LBPRGKRZSA-N 286.339 0.480 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ncoc2C)N(C)C1 330591495 ZCAPXETYDRFFBD-QWRGUYRKSA-N 267.329 0.774 0 50 CCAA COCCNS(=O)(=O)c1ccc(Br)o1 330832775 VHCWRXBQTYUSGZ-UHFFFAOYSA-N 284.131 0.967 0 50 CCAA CC(C)COCCN[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 285110526 MTPRLWYYMCHOTG-IUODEOHRSA-N 294.399 0.954 0 50 CCAA COc1ccc(C(=O)NCc2n[nH]c(C)n2)c(OC)n1 216160776 AQRLZLPFFKDVCY-UHFFFAOYSA-N 277.284 0.455 0 50 CCAA COc1ncc(Cl)c(N2C[C@H](F)C[C@H]2C(N)=O)n1 284527123 JORMVLFBDRPVSN-VDTYLAMSSA-N 274.683 0.541 0 50 CCAA O=C(CCC(=O)N1CCC[C@@](O)(CO)C1)c1ccccc1 72128153 CVIRJJDABKHMMM-INIZCTEOSA-N 291.347 0.995 0 50 CCAA CCn1ccnc(N2C[C@@H](COC)OC(C)(C)C2)c1=O 284992742 LMYFZZIUZUIMQO-NSHDSACASA-N 281.356 0.893 0 50 CCAA CC[C@@]1(O)CCN(Cc2nccc(OC)c2OC)C[C@H]1O 72476652 DYJODYARJMTFMX-UKRRQHHQSA-N 296.367 0.807 0 50 CCAA C[C@H](CNC(=O)NC(C)(CO)CO)Cc1cccs1 253424700 JVAIQJNVLQBWBV-JTQLQIEISA-N 286.397 0.969 0 50 CCAA CNc1nc(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NC(C)=O)ncc1F 218859211 KKQLFAXNRDJARL-APHKKCJPSA-N 295.318 0.361 0 50 CCAA Cc1noc([C@@]2(O)CCN(C(=O)C3(O)CCCCC3)C2)n1 373023419 IFFKJWULALTOQH-CQSZACIVSA-N 295.339 0.493 0 50 CCAA O=C(NCCCn1ccnn1)[C@H]1Cc2ccccc2O1 182932674 AEKKUXRZJOCMAJ-CYBMUJFWSA-N 272.308 0.788 0 50 CCAA C[C@@H](N=c1ccc(C(N)=O)n[nH]1)c1c(F)cncc1F 343807396 MQKIJKGPALZERD-ZCFIWIBFSA-N 279.250 0.844 0 50 CCAA Cn1nncc1C(=O)N[C@@H]1CCN(c2cccnc2)C1 375627188 WHHACBACJYUHAF-SNVBAGLBSA-N 272.312 0.219 0 50 CCAA CCc1[nH]ccc1C(=O)N1CC(n2cc([C@H](C)O)nn2)C1 376050227 KQLKJDYOESJANL-VIFPVBQESA-N 289.339 0.919 0 50 CCAA COCc1nn(Cc2ccn(C(C)C)n2)c(=O)o1 177143866 LUAZJLDGEBIYOZ-UHFFFAOYSA-N 252.274 0.808 0 50 CCAA CC[C@@H]1C[C@H](NC(=O)c2cnc(C(=O)O)cn2)CCO1 263224194 PQSAHPCSWQNHBU-RKDXNWHRSA-N 279.296 0.862 0 50 CCAA CCN(C)C1(CNC(=O)Cc2nc(O)n[nH]2)CCCCC1 426404392 UBLFHDUNRSBKEV-UHFFFAOYSA-N 295.387 0.824 0 50 CCAA C[C@H](C(=O)O)N(C)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 178282358 ZSAZRTUBCICENF-FSDSQADBSA-N 296.245 0.375 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1ncccc1F 616433733 XSSSJTBXPNQYEK-CQSZACIVSA-N 295.314 0.588 0 50 CCAA Cn1cc(Cl)c(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)n1 222756568 RGITYYWAGYKXNV-YEPSODPASA-N 255.705 0.981 0 50 CCAA CC(C)Cn1cncc1CNC(=O)CN1CCOCC1 220325833 KYBYQHXBFQPEQR-UHFFFAOYSA-N 280.372 0.488 0 50 CCAA OCCNc1nc([C@@H]2CCOC2)cc(N2CCC2)n1 426596659 UYMNSALBVRBZRM-SNVBAGLBSA-N 264.329 0.595 0 50 CCAA Cc1ncc(C(=O)NCC2(Cn3cccn3)CC2)c(=O)[nH]1 91665037 SACRDSKRZRYGRT-UHFFFAOYSA-N 287.323 0.485 0 50 CCAA C[C@@H](c1ccon1)N(C)C(=O)CN1CCOC1=O 95517606 VGLKXGZHXSYDBH-QMMMGPOBSA-N 253.258 0.646 0 50 CCAA COC(=O)c1ccc2ccn(CCC(N)=O)c(=O)c2c1 95354602 QMQCIKPMAYDNFF-UHFFFAOYSA-N 274.276 0.664 0 50 CCAA CN(C)C(=O)CN1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 92045607 AAKYNQMNXQJNAM-QWHCGFSZSA-N 276.336 0.875 0 50 CCAA CCc1cc(C(=O)N[C@@H](CO)c2ccnn2C)c(C)nn1 622694230 GLAHPSBZMRRTDW-LBPRGKRZSA-N 289.339 0.544 0 50 CCAA Cc1cc(C(=O)N[C@@H](C2CCNCC2)[C@H]2C[C@@H](O)C2)on1 244659677 HHALUABKQJWRJY-SCRDCRAPSA-N 293.367 0.852 0 50 CCAA c1nc(N2CCN(C[C@@H]3CCCOC3)CC2)n[nH]1 243893180 AOXXDOMFUMLPMW-NSHDSACASA-N 251.334 0.353 0 50 CCAA CC(C)N(C)C(=O)[C@@H](C)N1CCS(=O)(=O)[C@H](C)C1 245472653 PGAUFHSPTIGOQZ-GHMZBOCLSA-N 276.402 0.361 0 50 CCAA COCCN1C[C@H](Cc2cc(N)ncn2)CC1=O 244795545 RIFHAAIPJFGUAG-SECBINFHSA-N 250.302 0.096 0 50 CCAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H](N)c2ccccc2)CC1=O 299741961 AMRICLINZFDWLY-GVUJHPQVSA-N 287.363 0.812 0 50 CCAA O=C(O)C1(Cc2ccccn2)CCS(=O)(=O)CC1 255190394 WZJDSBBWTICSRC-UHFFFAOYSA-N 269.322 0.904 0 50 CCAA Cc1cc(C(=O)N[C@H]2COCC[C@@H]2O)c2c(C)noc2n1 1151051000 TVAYWDHSZMZMBB-QWRGUYRKSA-N 291.307 0.719 0 50 CCAA Cc1cnn([C@H](C)C(=O)N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)c1 534650105 CHLRBXWRHYOKFI-RGDJUOJXSA-N 274.368 0.961 0 50 CCAA CC(C)(C)c1noc(CNC(=O)N2CC(O)C2)n1 534650122 LJELCDTWYLIPGX-UHFFFAOYSA-N 254.290 0.253 0 50 CCAA O=C1N[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CO1 283097597 WTSVWWSZAGLZJL-STQMWFEESA-N 289.335 0.486 0 50 CCAA Nc1ncc(C(=O)NCCCN2CCCC[C@H]2CO)s1 584903916 OPHNZDJYHRNNHD-JTQLQIEISA-N 298.412 0.692 0 50 CCAA Cc1nc([C@H]2CC(=O)N(C)C2(C)C)n(CCO)n1 828776690 JDPCTDVENYVZBJ-SECBINFHSA-N 252.318 0.303 0 50 CCAA CC(=O)N1CCC[C@@H](Nc2cc(O)nc(N)n2)C1 584904026 ARPMJTDINQSTMD-MRVPVSSYSA-N 251.290 0.187 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)c2nc[nH]c3nccc2-3)C1 630256829 YEFYXGDSKBIWST-ZDUSSCGKSA-N 290.279 0.225 0 50 CCAA CCc1ncc(C(=O)NCc2nncn2CCOC)cn1 584896858 QJGFRLYNSHYKQK-UHFFFAOYSA-N 290.327 0.207 0 50 CCAA CC(C)c1nc(NCCCN2CCC(C(N)=O)CC2)no1 584887050 XALOFVJYOYMBBB-UHFFFAOYSA-N 295.387 1.192 0 50 CCAA CC[C@@H](NC(=O)CN1CCCC1=O)c1ncc(C)[nH]1 670438944 YISHKVDFFVRBLM-SNVBAGLBSA-N 264.329 0.908 0 50 CCAA Cc1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)cn1 685942856 XGAYCUQUYXVERU-QWHCGFSZSA-N 288.307 0.689 0 50 CCAA CC(=O)Oc1ccccc1B(O)OC(C)(C)C(C)(C)O 169980347 IWLGWSSBZYJUHN-UHFFFAOYSA-N 280.129 0.866 0 50 CCAA C[C@]1(CO)COCCN1Cc1cn(-c2ccccc2)nn1 1875260883 ZDYYUCFHQBNGFO-HNNXBMFYSA-N 288.351 0.851 0 50 CCAA O=C1CC[C@H](CC(=O)NS(=O)(=O)Cc2cccnc2)C1 1875290879 GOTHJECCLFCZEM-JTQLQIEISA-N 296.348 0.787 0 50 CCAA O=C(NOC[C@@H]1CCOC1)[C@@H]1CCCc2ccnn21 1875283411 RNAXTBKJHBBLSB-PWSUYJOCSA-N 265.313 0.845 0 50 CCAA C[C@@H]1CCC[C@@]1(NC(=O)/C=C/CN(C)C)C(N)=O 1875375368 BDSQWHGZSSRNJO-FOSUXSCJSA-N 253.346 0.265 0 50 CCAA C[C@H](NC[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)O 1875335484 OCOAHBCMSKVHIJ-IUCAKERBSA-N 261.343 0.264 0 50 CCAA Cc1nc(C(=O)N2CCO[C@H](C(=O)N(C)C)C2)cs1 952964491 NWMCARZMPBBAMH-JTQLQIEISA-N 283.353 0.381 0 50 CCAA CC(C)Cc1nc([C@@H]2CCCNC2=O)n(CCO)n1 952872149 LHDKKTFNSISIOS-JTQLQIEISA-N 266.345 0.463 0 50 CCAA CC(=O)NC1(c2noc([C@@]3(N)CCN(C)C3)n2)CCCC1 886078351 WEMQQRFJUPIDOC-CYBMUJFWSA-N 293.371 0.465 0 50 CCAA COCc1nc(C)c(C(=O)O[C@@H]2CNC(=O)N(C)C2)s1 888099761 WUVALQSIIUSZFF-MRVPVSSYSA-N 299.352 0.778 0 50 CCAA Nc1ncncc1CNC(=O)[C@@H]1CC12CCOCC2 1335803565 QMITYGSFRAJLDZ-JTQLQIEISA-N 262.313 0.492 0 50 CCAA COC(=O)[C@H](F)CNC(=O)c1ccn(C(C)C)n1 408520004 JSMAIWCAWGOEDP-MRVPVSSYSA-N 257.265 0.705 0 50 CCAA Cn1cc(CC(=O)N2CC[C@H](N3CCCC3)C2)cn1 171454736 JLUXZYFNKJLBQB-ZDUSSCGKSA-N 262.357 0.659 0 50 CCAA CNCC1CCN(S(=O)(=O)[C@@H]2CCCOC2)CC1 225425937 UTYCMVGXMHXUGL-GFCCVEGCSA-N 276.402 0.427 0 50 CCAA CCOC1CC(C(=O)N2CCC[C@]2(COC)C(=O)NC)C1 643947192 TYDYPFWGYUQNAT-QOZQQMKHSA-N 298.383 0.555 0 50 CCAA NC(=O)COc1ccc(CN2CCc3c[nH]nc3C2)cc1 750719987 CPBGUGNNERFEID-UHFFFAOYSA-N 286.335 0.832 0 50 CCAA COc1ccc(S(=O)(=O)NCCn2cc(C)cn2)cn1 195265626 LPSPWGKRBCIHCZ-UHFFFAOYSA-N 296.352 0.574 0 50 CCAA CN(CCn1cccn1)C(=O)c1nnn(C(C)(C)C)n1 668580444 OXKHNLMFKLTESK-UHFFFAOYSA-N 277.332 0.397 0 50 CCAA Cn1cc(NC(=O)c2ccc3c(c2)B(O)OC3)c(C2CC2)n1 584992308 NVDLPFBKCNYYHH-UHFFFAOYSA-N 297.123 0.768 0 50 CCAA C/C(=C/c1ccco1)C(=O)NC[C@H](O)CN1CCOCC1 585091062 RPNAMONNAXCYIQ-SUIFULHWSA-N 294.351 0.492 0 50 CCAA COC(=O)C[C@@H](NC(C)=O)C(=O)N1CC=CC12CCCC2 585128684 KJVBVYOXBGJCQN-GFCCVEGCSA-N 294.351 0.765 0 50 CCAA CN(C[C@H](O)CN1CCOCC1)c1ccncc1F 585118065 AKCNIYFDLQHEOJ-NSHDSACASA-N 269.320 0.350 0 50 CCAA COC(=O)C[C@H](C)CN1CCN(C)[C@H](c2nc(C)no2)C1 585117141 RZGMMTPLYYIKGL-JQWIXIFHSA-N 296.371 0.866 0 50 CCAA O=C(NCC1(C(=O)O)CCOCC1)c1ccncc1 138132231 YABQWZDTLPKEQC-UHFFFAOYSA-N 264.281 0.693 0 50 CCAA NC(=O)CCSCC[C@H](C(F)F)N1CCOCC1 1615001806 HNGCTICQZQLYAI-SECBINFHSA-N 282.356 0.951 0 50 CCAA CC1(CO)CN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 1615589824 VQJLUDAJROHVKC-CHWSQXEVSA-N 275.352 0.635 0 50 CCAA COc1ncc(CN2C[C@@H]3COC[C@H](C2)N(C)C3)cn1 1772704013 FUYSICAFSHCRPE-OLZOCXBDSA-N 278.356 0.248 0 50 CCAA Cc1noc(C)c1CN1CC[C@@]2(CNC(=O)CO2)C1 1772815459 LQEAODPDDBISJE-CYBMUJFWSA-N 265.313 0.382 0 50 CCAA O=C1CO[C@]2(CCN(c3cnc4ccccc4n3)C2)CN1 1775982988 FVRAZFAQBWJAFB-OAHLLOKOSA-N 284.319 0.725 0 50 CCAA CC(C)(C)OC(=O)N[C@@H](CCCCNC(N)=O)C(=O)O 2517135 XJBRHHKYGXHMDX-QMMMGPOBSA-N 289.332 0.803 0 50 CCAA in-vitro CC(C)n1cnnc1CNC(=O)C1(O)CCCC1 264848983 KWQKZPBFYUWENS-UHFFFAOYSA-N 252.318 0.780 0 50 CCAA Cn1ncc(CNC(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)n1 811918437 SJNUYEVRYCODPJ-NEPJUHHUSA-N 293.371 0.914 0 50 CCAA O=C1CCC(C(=O)N[C@@H]2COc3ccccc3C2)=NN1 74911461 KUGDYDQIVVZPMA-JTQLQIEISA-N 273.292 0.372 0 50 CCAA O=C(N[C@@H]1COC[C@H]1O)[C@@H]1CCc2ccccc2O1 334012321 WDWUUZMQOPLYKW-WZRBSPASSA-N 263.293 0.256 0 50 CCAA CCCOCC(=O)N1CCC[C@]1(COC)C(=O)O 643849732 FBNSTXCHVLQVOU-LBPRGKRZSA-N 259.302 0.505 0 50 CCAA O=C(N=c1nc(C2CC2)[nH]s1)N1C[C@H]2[C@@H](O)C[C@H]2C1 2325757108 UGIJFAFVTCIGIO-YIZRAAEISA-N 280.353 0.682 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)[C@@H]1CCCCO1 923201282 TWVORFBTADNAHS-XXFSISAASA-N 253.298 0.781 0 50 CCAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)O)cc1 1423268 AIQSXWLOKKCHFH-JTQLQIEISA-N 283.305 0.759 0 50 CCAA Cc1cccc(NC(=O)C(=O)NC[C@@H](C)O)c1C 2870207 PLMVVVJYSIPEQP-SECBINFHSA-N 250.298 0.739 0 50 CCAA O=C(O)C[C@H]1C(=O)NCCN1CCc1ccccc1 9818422 BAXCJJQABRWSEO-LBPRGKRZSA-N 262.309 0.504 0 50 CCAA C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)CCO 230194499 GGYXUAJEDOSQCK-MXWKQRLJSA-N 277.386 0.287 0 50 CCAA CCC1(C(=O)O)CCN(CCS(C)(=O)=O)CC1 62846307 MTEQFMUEEFAMAK-UHFFFAOYSA-N 263.359 0.608 0 50 CCAA NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 20745007 FOTXPBSZVRWJAT-SECBINFHSA-N 265.288 0.254 0 50 CCAA C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@H](CN)C1 430939711 MCKOXFABWKIHAZ-WDEREUQCSA-N 290.367 0.393 0 50 CCAA CS(=O)(=O)NC(=O)c1csc(-c2ccncc2)n1 129850280 XOPYHBHKJVSOJY-UHFFFAOYSA-N 283.334 0.895 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2CN)C1 252214426 XGLSZGZIPJJKHS-MNOVXSKESA-N 261.391 0.386 0 50 CCAA CN1C[C@H](NC(=O)C2(C(F)(F)F)CCC2)C(=O)N1 333680203 LCBSTMKVYAYUMJ-LURJTMIESA-N 265.235 0.180 0 50 CCAA Cn1nnc(CNC(=O)c2cc(-c3cccnc3)on2)n1 252507475 WMQLPOZSKUQIRM-UHFFFAOYSA-N 285.267 0.190 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)CCc2ccncn2)N(C)C1 284642891 MSEIIPUBVJSNLR-KBPBESRZSA-N 292.383 0.587 0 50 CCAA Cn1ncc(CNC(=O)c2cccc3c2OCC(=O)N3)n1 606443436 IFOPIFTWGBERPD-UHFFFAOYSA-N 287.279 0.076 0 50 CCAA CC[C@H]1COCCN1C(=O)CCc1c(C)nc(=O)[nH]c1C 77505024 XCMOXQNEDMHVES-LBPRGKRZSA-N 293.367 0.957 0 50 CCAA O=C(O)[C@H]1CN(Cc2cnc3cc(O)ccc3c2)CCN1 71759311 SVJDPQVLHKUFGN-CQSZACIVSA-N 287.319 0.799 0 50 CCAA Cc1nc(C)n(CCNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)n1 77284726 REWDCDYBGXOQFP-GFCCVEGCSA-N 293.371 0.268 0 50 CCAA CC(=O)N1CCN([C@@H]2CN(C[C@H]3CCCO3)C[C@H]2C)CC1 257366273 QETRANVCDIKPDR-FVQBIDKESA-N 295.427 0.650 0 50 CCAA CC(C)(NC(=O)c1ccc2oc(O)nc2c1)c1nn[nH]n1 362819209 XUHLSPATTQZLEG-UHFFFAOYSA-N 288.267 0.712 0 50 CCAA O=C1COCCN1CC(=O)N1CC[C@H](C2CCOCC2)C1 365962452 DDBBHOPCRIZGAS-ZDUSSCGKSA-N 296.367 0.120 0 50 CCAA C=CC(=O)NCCC(=O)N[C@@H]1COc2ccccc2[C@H]1O 366530508 LNIIWAPPNGGYJF-IAQYHMDHSA-N 290.319 0.290 0 50 CCAA CC[C@@H](CO)N1CCN(C(=O)CCc2cncs2)CC1 343199733 WDCGOIAQPFSNOG-LBPRGKRZSA-N 297.424 0.991 0 50 CCAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CSCN3)C2)no1 158640728 SBSWZUMQHTWDPY-QWRGUYRKSA-N 296.396 0.822 0 50 CCAA NC(=O)CNc1nc(-c2ccccc2)nc2c1CCNC2 71315615 VVMUNCABTJOSBH-UHFFFAOYSA-N 283.335 0.687 0 50 CCAA Cn1cc(Cl)cc1C(=O)N1CCO[C@H](C(=O)O)C1 49864774 YBXCCTUKYZRJBN-VIFPVBQESA-N 272.688 0.604 0 50 CCAA CN1CCO[C@H](CNC(=O)c2cccc3c2OCCO3)C1 194600913 NXJSFIOXBRFTJQ-LLVKDONJSA-N 292.335 0.518 0 50 CCAA CNCc1nnc(SCc2cnc(C)cn2)n1C 426513717 QIKNOFUBUCZCDO-UHFFFAOYSA-N 264.358 0.925 0 50 CCAA Cn1ccnc1CNC(=O)N1CCC2(CC1)CNC(=O)O2 426361896 GBTGSASJXCPYSA-UHFFFAOYSA-N 293.327 0.204 0 50 CCAA CN(CC(=O)O)C(=O)c1cccnc1N1CCCC1 178929481 ZTNLASDEHBJSPZ-UHFFFAOYSA-N 263.297 0.838 0 50 CCAA CN(C)C(=O)N1CCC(C(=O)N2CC=C[C@H]2C(=O)O)CC1 426489513 HPMGFYOBAKBYQB-NSHDSACASA-N 295.339 0.232 0 50 CCAA Cc1cc(O)nc(CCNC(=O)N2CCCO[C@H](C)C2)n1 426662064 GWQWALJOWFIFMC-LLVKDONJSA-N 294.355 0.854 0 50 CCAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NC[C@@H]1CCCO1 239174611 QHISLNKQAONDBW-KKJSVHSVSA-N 265.309 0.805 0 50 CCAA N[C@H]1CN(C(=O)Cn2nc3ccccc3n2)C[C@@H]1C1CC1 92045678 SSOVXETZDAKJBA-NEPJUHHUSA-N 285.351 0.627 0 50 CCAA CCNC(=O)N1CCN(C)[C@@]2(CCNC(=O)CC2)C1 92046327 HXHZRDYTJWPPRJ-ZDUSSCGKSA-N 268.361 0.002 0 50 CCAA Cc1noc(C)c1[C@H](C)CNC(=O)Cn1ncn(C)c1=O 182643128 WQBGGCSGECURAB-MRVPVSSYSA-N 293.327 0.107 0 50 CCAA Cc1ccc(CN(c2nc(=N)[nH]c(=N)[nH]2)C2CC2)o1 623870425 ZMMOZASZJWUKAP-UHFFFAOYSA-N 260.301 0.767 0 50 CCAA Cc1sc(-n2cnnn2)c(C(=O)Nc2nc[nH]n2)c1C 524735303 PVTMWFBYHAARFW-UHFFFAOYSA-N 290.312 0.711 0 50 CCAA COc1cc(C(=O)NC[C@H](C)C(=O)O)cc2c1OCCO2 268905722 LWBOWXBKMGRJIH-QMMMGPOBSA-N 295.291 0.917 0 50 CCAA Cc1ccc(OCCS(=O)(=O)N2CC[C@H](N)C2)cc1 534591505 HMGTYIDUNMOTLW-LBPRGKRZSA-N 284.381 0.737 0 50 CCAA C[C@H](CCNC(=O)c1csc(N)n1)N1CCN(C)CC1 534635222 IJSFGYFCQLXWGP-SNVBAGLBSA-N 297.428 0.481 0 50 CCAA CN1CCN(C(=O)[C@H]2CC[C@@H](O)CC2)C[C@H]1CCO 584894765 WIALKUJABVNFBQ-UPJWGTAASA-N 270.373 0.063 0 50 CCAA CCOc1ccnc(N2CCN(C)[C@H](CCO)C2)n1 828747392 XSIUDWOMCGBRGN-LLVKDONJSA-N 266.345 0.378 0 50 CCAA O=C(Cn1cccc1)N1C[C@H](O)[C@@H](N2CCCC2)C1 584895361 LVSGKLBOWJOZBQ-STQMWFEESA-N 263.341 0.156 0 50 CCAA O[C@H]1CN(c2nc3ccccc3o2)C[C@@H]1N1CCOCC1 670441783 RZJLQJUGXSYCCE-STQMWFEESA-N 289.335 0.710 0 50 CCAA Cc1ccc(=O)n(CC(=O)NCc2cnc(C)c(C)c2)n1 670441453 HVNVSSOCQSHUJF-UHFFFAOYSA-N 286.335 0.880 0 50 CCAA O=C1CC2(CCN(C(=O)C[C@H]3CCOC3)CC2)CC(=O)N1 670453085 HUBRYEZSTCRZHT-LLVKDONJSA-N 294.351 0.458 0 50 CCAA O=C1CC[C@@]2(CCN(C(=O)C3(C(=O)O)CCCC3)C2)N1 1875292420 HUEXGWPYVXNEIE-ZDUSSCGKSA-N 280.324 0.513 0 50 CCAA O=C(CC[C@H]1CC1(F)F)N=c1nc[nH]n1-c1ncccn1 1875303076 UDDQRHVTMUBFNK-QMMMGPOBSA-N 294.265 0.853 0 50 CCAA O=C(NCC1=CCNCC1)c1cc(O)nc2c1CCCN2 1875312966 VEJIJHOVNLRWMX-UHFFFAOYSA-N 288.351 0.795 0 50 CCAA O=C(N[C@H]1CCCNC1)[C@@H]1Cc2ccc(O)cc2CN1 1875337807 GKEXCZDRJNKISX-JSGCOSHPSA-N 275.352 0.275 0 50 CCAA CN(C)CC(=O)N1CCOc2ccccc2[C@H]1CO 887109302 ITGHPSFXXOSZIV-GFCCVEGCSA-N 264.325 0.503 0 50 CCAA Cc1nc(O)c2ccc(C(=O)N(C)CCN)cc2n1 884341736 GEPMBGHPWXRNFM-UHFFFAOYSA-N 260.297 0.675 0 50 CCAA Cn1cnc(C(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)c1 890152059 QLVSJPSXJDUERN-CQSZACIVSA-N 289.339 0.589 0 50 CCAA O=C(CS(=O)(=O)c1cccc(O)c1)N1CCC1 273511895 QYZVJAKNCOKMDB-UHFFFAOYSA-N 255.295 0.398 0 50 CCAA C[C@@H]1CC(=O)N[C@H](C(=O)N2CCC(O)(C(F)F)CC2)C1 408054015 JZSOIUJCUFYPJW-IUCAKERBSA-N 290.310 0.520 0 50 CCAA Cc1c(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)cnn1C 408496344 HNGANZPEAOAAFO-HBNTYKKESA-N 297.380 0.970 0 50 CCAA COCCS(=O)(=O)NC(=O)/C=C/c1csc(C)n1 111993788 HNYGCAGPMCHEKJ-ONEGZZNKSA-N 290.366 0.557 0 50 CCAA O=C(c1cn2ccccc2n1)N1CCOC[C@]12CCOC2 282125365 NXYLSDGNUSPOOI-OAHLLOKOSA-N 287.319 0.966 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1CC1=CCCOC1 643765171 NSJZEHODVVHPOB-AWEZNQCLSA-N 268.357 0.560 0 50 CCAA CO[C@@H]1CN(c2ccnc(N3CCCCC3)n2)C[C@H]1O 574269516 TVPDAGPHXSJWTH-VXGBXAGGSA-N 278.356 0.663 0 50 CCAA CCNS(=O)(=O)[C@H]1CCN([C@@H](CC(C)C)C(=O)O)C1 577118259 WEPWHAAIBYBBLZ-QWRGUYRKSA-N 292.401 0.499 0 50 CCAA CCCc1cc(N2CC(S(C)(=O)=O)C2)n2ncnc2n1 669825763 WAOPXUCOGLFQMC-UHFFFAOYSA-N 295.368 0.310 0 50 CCAA CCS(=O)(=O)NCCNC(=O)[C@]1(C)C[C@@]1(F)Cl 585088739 OVRDXZDEQUKAMR-IUCAKERBSA-N 286.756 0.357 0 50 CCAA NC(=O)c1cc(NC(=O)C(F)(F)F)cc(C(N)=O)c1 433483 DFKIJRMNFCBMSC-UHFFFAOYSA-N 275.186 0.385 0 50 CCAA COC[C@H](O)CN[C@H]1CCO[C@@H]1c1ccc(OC)nc1 1615045569 HXLNIBAANKXNEL-MBNYWOFBSA-N 282.340 0.517 0 50 CCAA C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ncc[nH]1 385353563 CZLUWOOCNKPTNV-VHSXEESVSA-N 270.358 0.267 0 50 CCAA COCCN1CCC[C@](O)(CNC(C)(C)C)C1=O 12466943 KUIXCJJCWFITCY-ZDUSSCGKSA-N 258.362 0.374 0 50 CCAA CCCNC(=O)C(=O)Nc1ccccc1C(=O)OC 5591219 IDULMPCAWGZRCJ-UHFFFAOYSA-N 264.281 0.938 0 50 CCAA COCC(=O)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 12574152 NTBCIQGANCXTGW-CYBMUJFWSA-N 288.347 0.517 0 50 CCAA Cn1nnc(NCc2ccc3c(c2)n(C)c(=O)n3C)n1 15356917 VRQUWWCPELOIIK-UHFFFAOYSA-N 273.300 0.013 0 50 CCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cc2ccccc2o1 1875251408 HEOZCVPZOKSHKJ-DMTCVQMQSA-N 289.287 0.690 0 50 CCAA COc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)c(O)c1 112725358 YLLYZALDCXBGAV-SECBINFHSA-N 288.307 0.737 0 50 CCAA CCn1ccc(CNC(=O)N[C@H]2CCCN(C)C2=O)n1 528012974 OJFYCGRPZVKZHA-NSHDSACASA-N 279.344 0.323 0 50 CCAA CNC(=O)c1ccc(OC)c(NC(=O)[C@H](N)C2CC2)c1 1875276848 IUSFDTOGVFKUQG-GFCCVEGCSA-N 277.324 0.731 0 50 CCAA C[C@H]1CC[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)N1C 585079779 KPATWBOFERPSII-GWCFXTLKSA-N 275.352 0.998 0 50 CCAA Cc1cc(N2CC[C@H](NCc3cn(C)cn3)C2=O)n(C)n1 808391523 NWCDIZCXUDGTIY-LBPRGKRZSA-N 288.355 0.357 0 50 CCAA CO[C@@H]1COC[C@@H]1NC(=O)c1ccccc1CCC(=O)O 910034399 WUMFHCSTXMNEOT-QWHCGFSZSA-N 293.319 0.847 0 50 CCAA CCn1nc(C)c(CN2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)n1 818194408 HNRBTTDUTRKKMG-GXFFZTMASA-N 291.359 0.339 0 50 CCAA O=C1C[C@@H](CC(=O)N2CCOCCN2)c2ccccc2N1 820997513 VNXRTZOVPRWDET-NSHDSACASA-N 289.335 0.866 0 50 CCAA Cc1ccc(F)cc1C(=O)N1CCC[C@@](O)(C(N)=O)C1 285659597 UWFCLVRPTQGDMJ-AWEZNQCLSA-N 280.299 0.587 0 50 CCAA O=C(c1ncc[nH]1)N1CCN(CC(F)(F)F)CC1 665777235 YTRYVLZKHKWREW-UHFFFAOYSA-N 262.235 0.730 0 50 CCAA CN(CCN1CCOCC1)c1ccnc(CO)c1 828837281 WDCXQYQDAJDPJT-UHFFFAOYSA-N 251.330 0.342 0 50 CCAA N[C@@H]1C[C@H](C(=O)NCc2n[nH]cc2Br)[C@H]2C[C@H]21 1650327882 PIZWROXNCDOCIA-VOQBNFLRSA-N 299.172 0.772 0 50 CCAA Cc1cnc(NC(=O)C2CN(c3ncc(F)cn3)C2)o1 2325798030 IBBTXWVRNOKAFY-UHFFFAOYSA-N 277.259 0.987 0 50 CCAA COC(=O)/C(=C\NC(=O)c1ccccc1)C(=O)NC1CC1 2325899820 YUUITSSXRKQJQJ-XFXZXTDPSA-N 288.303 0.752 0 50 CCAA COC(=O)c1cc(NC(=O)[C@@H]2CC(C)=NO2)nn1C 913023501 DMLBMLILKWPPCM-QMMMGPOBSA-N 266.257 0.310 0 50 CCAA Cc1nc(NC2=N[C@@H](CC(=O)O)C(=O)N2)nc2ccccc12 519553 KJXPSUWAMHYONM-JTQLQIEISA-N 299.290 0.679 0 50 CCAA biogenic Cc1nc(N2CCC(CS(N)(=O)=O)CC2)nc(C)c1C 2356138837 IWIMAYXUULALRJ-UHFFFAOYSA-N 298.412 0.907 0 50 CCAA CCCNC(=O)N1CCN(C(=O)NCCC)CC1 2811943 DVIOKQKRRBJPEK-UHFFFAOYSA-N 256.350 0.843 0 50 CCAA CCCCn1c(N)c(Br)c(=O)[nH]c1=O 3269826 AUTKCNDJEGLZGP-UHFFFAOYSA-N 262.107 0.681 0 50 CCAA CCc1c(C(=O)O)[nH]c(=O)n(-c2cccc(OC)c2)c1=O 4543154 ONTCZZYAFKZQRT-UHFFFAOYSA-N 290.275 0.795 0 50 CCAA CS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 4841816 VDPVBPRVGGNRLQ-UHFFFAOYSA-N 289.378 0.875 0 50 CCAA C[C@H](OCC(F)(F)F)C(=O)N1CCOC[C@@H]1C(=O)O 521362960 DOSOPLZALXWNJB-NKWVEPMBSA-N 285.218 0.266 0 50 CCAA Cc1nc2c(c(N3CC[C@H](CO)C3)n1)CCN(C)CC2 65382565 SWBNPJRAURCOLT-LBPRGKRZSA-N 276.384 0.634 0 50 CCAA CCCc1noc(CS(=O)(=O)[C@@H](C)[C@H](C)O)n1 330921013 PXSCSWDFYBTPLP-YUMQZZPRSA-N 262.331 0.706 0 50 CCAA CC(C)(CN)CNC1=NS(=O)(=O)c2ccccc21 32222192 BTBIUGYTSUWBOK-UHFFFAOYSA-N 267.354 0.710 0 50 CCAA O=C(CN1CCOC[C@@H](O)C1)NCCc1ccc(F)cc1 77422399 SFGJQVOXFIQIEC-AWEZNQCLSA-N 296.342 0.178 0 50 CCAA CS(=O)(=O)NCC1CCN(C[C@@H]2CCCO2)CC1 253417526 YAFAWIILOCJXQM-LBPRGKRZSA-N 276.402 0.427 0 50 CCAA O=C(N[C@@H](Cc1ccncc1)C(=O)O)[C@H]1CCOC1 257671770 IQBYCNMSRVRRMW-QWRGUYRKSA-N 264.281 0.230 0 50 CCAA C[C@H]1CN(C(=O)C2(N)Cc3ccccc3C2)C[C@H](C)N1 153419686 HQOHGGDBFIKNCI-RYUDHWBXSA-N 273.380 0.692 0 50 CCAA C[C@@H]1CC(=O)NCCN1C(=O)COCc1ccccc1 366640465 GVTPBOQBITYDQP-GFCCVEGCSA-N 276.336 0.940 0 50 CCAA CN(C)C(=O)NCCNCc1cnn2ccccc12 132339402 SPXXHUDMUCCRDD-UHFFFAOYSA-N 261.329 0.695 0 50 CCAA C[C@H](N)C(=O)NCc1cn(C)nc1C(F)(F)F 157918235 RLOGSWBAMBWOAB-YFKPBYRVSA-N 250.224 0.402 0 50 CCAA O=C(c1onc2c1CCCC2)N1CCO[C@@H](CO)C1 612625536 DWOIOQZGJZLQMH-SECBINFHSA-N 266.297 0.387 0 50 CCAA C[C@@H](O)c1ccc(CNC(=O)[C@H]2CNCCO2)cc1 178434001 VNVYLHCRFQJLMH-ZWNOBZJWSA-N 264.325 0.345 0 50 CCAA CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCNCC2)C1 328579426 HQFQKQYBDAOXDG-SNVBAGLBSA-N 268.357 0.929 0 50 CCAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)CC1CCCC1 222977516 VZRYPAWTNLSIPB-VXGBXAGGSA-N 285.340 0.942 0 50 CCAA CN1C(=O)C[C@@H](C(=O)NCCc2cnn[nH]2)c2ccccc21 426606706 GPXPUSLQFDDGHC-GFCCVEGCSA-N 299.334 0.614 0 50 CCAA c1cc(-c2nnc([C@@H]3CCOC3)[nH]2)nc(-n2cnnc2)c1 97831173 JKRCEGLPEJWHFM-SECBINFHSA-N 283.295 0.951 0 50 CCAA O=C(NCCCCO)N1CCN(c2ccncc2)CC1 426380352 JEZFYRHITFAWEM-UHFFFAOYSA-N 278.356 0.686 0 50 CCAA Cc1cnc(CNC(=O)CCc2cnn(C)c2)cn1 97529091 RMWGYIHMSTWCBN-UHFFFAOYSA-N 259.313 0.768 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(OC)ccc1F 294650323 KTBJZUKXGHKGBJ-ZWNOBZJWSA-N 283.299 0.943 0 50 CCAA CC(C)Cc1cc(-c2cn(C[C@@H]3CNCCO3)nn2)n[nH]1 95374055 RHUKZWWPPDLOHM-LBPRGKRZSA-N 290.371 0.855 0 50 CCAA O=C(CO)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 181464712 ILLHSSJFTAYGDJ-ZETCQYMHSA-N 270.235 0.179 0 50 CCAA CCCOCC(=O)N1C[C@H](CO)[C@H](CN(C)C)C1 92038578 RFIPOLYFWLQTJC-VXGBXAGGSA-N 258.362 0.042 0 50 CCAA CCOCCNC(=O)c1ccc2[nH]c(CO)nc2c1 97729463 PVWTXHFXZUPXEH-UHFFFAOYSA-N 263.297 0.822 0 50 CCAA O=C1N[C@]2(CCSC2)C(=O)N1CC(F)(F)F 298291936 GPTMDHLGROETIP-ZETCQYMHSA-N 254.233 0.976 0 50 CCAA CC(C)[C@H](NC(=O)CN(C)Cc1ccncc1)C(=O)O 244724177 MPBOUUJZGMHQTJ-ZDUSSCGKSA-N 279.340 0.739 0 50 CCAA CC(C)CCO[C@@H](C)C(=O)N1CCOC[C@@H]1C(=O)O 299747353 CTEWCUCKKIVHKZ-WDEREUQCSA-N 273.329 0.750 0 50 CCAA COCCN(Cc1ccccn1)Cc1nc(C(N)=O)no1 252490599 KXONTQDVSLVSMU-UHFFFAOYSA-N 291.311 0.212 0 50 CCAA C[C@@H](O)CNC(=O)CCc1nc(O)c2ccccc2n1 253623902 SFUSYLMQHDTVKJ-SECBINFHSA-N 275.308 0.765 0 50 CCAA biogenic NC(=O)[C@H]1CCCN1C(=O)NCCCn1cccc1 534654269 DKCBLMWVPDZDIU-LLVKDONJSA-N 264.329 0.538 0 50 CCAA O=C1CCc2c1cccc2C(=O)N[C@@H]1CCCNC1=O 534673777 WBDLHSWWRQVXKY-GFCCVEGCSA-N 272.304 0.824 0 50 CCAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2cnn(C)c2)C1 276502508 POQRSMSXAMINPI-AWEZNQCLSA-N 292.383 0.603 0 50 CCAA CSCCC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299799701 YLDCIBYCOBPTIQ-WDEREUQCSA-N 282.369 0.703 0 50 CCAA Cc1n[nH]c(C)c1CCN(C)[C@@H](C)C(=O)N(C)C 299775534 JXWVUDZXMNKCJU-NSHDSACASA-N 252.362 0.978 0 50 CCAA CC(C)[C@H](NC(=O)CCCn1cncn1)c1ncnn1C 299763077 YGONOSSDRQNGMG-LBPRGKRZSA-N 291.359 0.700 0 50 CCAA CN(Cc1nncn1C)C(=O)Cn1cnc2ccccc21 489805727 JVYUQLAOENMZDO-UHFFFAOYSA-N 284.323 0.823 0 50 CCAA COC1CC(C(=O)Nc2ccn(CC(=O)O)n2)C1 630135304 MSTYDZKGJGPJMW-UHFFFAOYSA-N 253.258 0.331 0 50 CCAA CC(C)(C)OC(=O)CCOCCOCCOCCON 575409803 NZYHFTOQEYCMKH-UHFFFAOYSA-N 293.360 0.658 0 50 CCAA CC(=O)NCC(=O)Nc1cccc(C(=O)N(C)C)c1C 828070153 NASFAYRPAOFKPN-UHFFFAOYSA-N 277.324 0.771 0 50 CCAA CN1CCO[C@H](Cn2cnc3cccnc3c2=O)C1 584899329 JOLGUWYWEYXWKD-JTQLQIEISA-N 260.297 0.122 0 50 CCAA C[C@H](CCNc1ccc(C(=O)O)nn1)N1CCN(C)CC1 821751161 LSBBDYSCINGXAT-LLVKDONJSA-N 293.371 0.613 0 50 CCAA NC(=O)C1(NC(=O)c2csc(N)n2)CCCCCC1 584894688 QGTDOHOYVIWJCV-UHFFFAOYSA-N 282.369 1.033 0 50 CCAA Cn1ncnc1CCn1cnc2c(F)cccc2c1=O 584903059 SPDMDVGZOGWUNB-UHFFFAOYSA-N 273.271 0.907 0 50 CCAA O=C(O)[C@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1C1CC1 1549717675 UQBPJNDFIVXWGT-NEPJUHHUSA-N 294.351 0.568 0 50 CCAA N[C@@H]1CC[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)NC1 757214571 MPTXXDGECNEHEO-JLIMGVALSA-N 251.296 0.996 0 50 CCAA O=C(NOC[C@@H]1CCOC1)[C@H]1CCCc2ccnn21 1875283412 RNAXTBKJHBBLSB-ZYHUDNBSSA-N 265.313 0.845 0 50 CCAA CCn1cc(CN(CCO)Cc2cc(CN)nn2C)cn1 1875283323 NTWHBYLONQYBGF-UHFFFAOYSA-N 292.387 0.090 0 50 CCAA Cc1cc(NC(=O)N2CCCNC(=O)CC2)on1 1875277372 IARZNLFXZMFCBY-UHFFFAOYSA-N 252.274 0.727 0 50 CCAA CCn1cc(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)O)nn1 1875393897 PLDDPKQDOMNHML-SKDRFNHKSA-N 266.301 0.671 0 50 CCAA C[C@@H](O)c1n[nH]c(CNC(=O)N[C@H]2CCCC23CC3)n1 1875337719 ZWVCJXJPDYYQHJ-BDAKNGLRSA-N 279.344 0.990 0 50 CCAA C[C@@H]1[C@H](O)CCN1c1ccnc(N2CC[C@@H](O)[C@H]2C)n1 894105805 SYJYZSUGORTRCM-DDHJBXDOSA-N 278.356 0.396 0 50 CCAA Cn1nc(C(=O)N[C@H]2C[C@H](N)C23CCC3)cc1O 1343083941 RTHVTIMMVUKBDF-IUCAKERBSA-N 250.302 0.125 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1n[nH]c(OC)n1 277293758 JFLXHADRZQICEB-JGVFFNPUSA-N 254.290 0.957 0 50 CCAA CNC(=O)NC(=O)[C@H](C)N1CCN(C2CCC2)C[C@H](C)C1 517006806 VBRVZSUESWJTJW-NEPJUHHUSA-N 296.415 0.637 0 50 CCAA C=CC(=O)NCc1ccnc(N2CCC[C@@H](O)C2)c1 585086869 JZKCXQYABCONPC-GFCCVEGCSA-N 261.325 0.845 0 50 CCAA C=CC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 585124511 GIDVIXWIXCMGSM-LLVKDONJSA-N 251.307 0.958 0 50 CCAA Cn1cccc1C(=O)NCCN1CCC2(C1)OCCO2 585131219 OYHTZRHLVSQZEI-UHFFFAOYSA-N 279.340 0.204 0 50 CCAA NS(=O)(=O)c1cnc(N[C@@H]2CCC[C@@H](O)C2)s1 585742083 PEBVEFBQLHYVGQ-RNFRBKRXSA-N 277.371 0.506 0 50 CCAA O=C(NC[C@H]1COCCO1)N1CCc2ccc(O)cc2C1 408006259 XCPJIBIBQYFYCJ-AWEZNQCLSA-N 292.335 0.875 0 50 CCAA CCOC(=O)C1(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 408187457 NQOXNJCSUHYIJF-GARJFASQSA-N 267.325 0.559 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1ncnn1C(C)(C)C 643823531 UIJUQJKCNQOTGA-AWEZNQCLSA-N 295.387 0.499 0 50 CCAA CN1CCN(c2nc(C(F)(F)F)ns2)C[C@H]1CO 687590258 IGUCLRHQWBDAFE-LURJTMIESA-N 282.291 0.670 0 50 CCAA NC(=O)[C@@H]1COCCN1C(=O)c1cccc2c1CCC2 192571824 ZKXZNDVNQROMQI-ZDUSSCGKSA-N 274.320 0.502 0 50 CCAA CC[C@]12COC(=O)N1CCN(c1nccnc1OC)C2 1857709788 RITALRBYMBCWLQ-ZDUSSCGKSA-N 278.312 0.906 0 50 CCAA COCC1(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 408140294 JHJXNRHQSDFFHS-SECBINFHSA-N 261.343 0.059 0 50 CCAA Cc1noc2ncnc(NCCN(C)CCC(=O)O)c12 1875346397 CKCKSTDNGBDAFG-UHFFFAOYSA-N 279.300 0.745 0 50 CCAA COc1cccc(-c2cn(CCN3CCNC3=O)nn2)n1 1614995099 YXOJEDHEKRFHFS-UHFFFAOYSA-N 288.311 0.374 0 50 CCAA CCn1ncnc1CN1CCC[C@H](N2CCCC2=O)C1 216339375 CRNDBCZQYLXFKH-LBPRGKRZSA-N 277.372 0.885 0 50 CCAA COc1ncc(C(=O)N[C@H]2COCC2(C)C)cn1 1615566201 YRUWJKTXTVKRKA-VIFPVBQESA-N 251.286 0.640 0 50 CCAA Nc1c(C=O)c(=O)[nH]c(=O)n1CCc1ccccc1 12404811 SWCKHMLRNFNHDL-UHFFFAOYSA-N 259.265 0.174 0 50 CCAA O=C(OCCN1CCOCC1)c1ccc(O)cc1O 19312888 AGDPYSMGRVQTKC-UHFFFAOYSA-N 267.281 0.587 0 50 CCAA N[C@H]1CCC[C@H](C(=O)N2CCN(Cc3ccon3)CC2)C1 238035994 IREKOJIGGKCXKH-STQMWFEESA-N 292.383 0.836 0 50 CCAA COc1ccnc(N2CCC[C@@H](c3nnc[nH]3)C2)n1 242087980 WATJTFOVCGHJQJ-SECBINFHSA-N 260.301 0.987 0 50 CCAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ncc[nH]1 252477678 TTXSBAYGRVUACE-GHMZBOCLSA-N 286.401 0.559 0 50 CCAA O[C@@H](c1ccccc1)c1ncnn1C[C@]1(O)CCCOC1 849325044 ADPXRVBKIKJHBJ-DZGCQCFKSA-N 289.335 0.901 0 50 CCAA C[C@H]1COC[C@@H](C)N1C(=O)CNC[C@@H]1CCCO1 237634833 PZPYXGJCOLKBLC-TUAOUCFPSA-N 256.346 0.391 0 50 CCAA Cc1ncc(S(=O)(=O)N[C@H]2CNCC[C@H]2C)s1 262740038 BUBWPENVCVNITF-APPZFPTMSA-N 275.399 0.728 0 50 CCAA O=C(c1c[nH]nn1)N1CCCN(CC(F)(F)F)CC1 193493824 CWKNVMAPUYBNHM-UHFFFAOYSA-N 277.250 0.515 0 50 CCAA CCOC[C@@H](O)CN1CCC(n2ccnc2)CC1 331191727 REMBAMOPQJFVAE-ZDUSSCGKSA-N 253.346 0.917 0 50 CCAA CN(C)[C@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)C[C@@H]1O 577291502 CUHMGLKYYDBKKG-CYDGBPFRSA-N 254.374 0.946 0 50 CCAA CC1(C(=O)O)CN(S(=O)(=O)c2ccc(F)cc2)C1 399469647 MAFRAENMJMVSCN-UHFFFAOYSA-N 273.285 0.921 0 50 CCAA C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N[C@@H](CCO)C(=O)O)C1 2325829350 HJMMLZSIOAJYNX-QNSHHTMESA-N 281.312 0.027 0 50 CCAA CCOC(=O)C(=O)N1CCC[C@H](C(=O)OCC)C1 2727473 KZHGYAADUPSLKF-VIFPVBQESA-N 257.286 0.351 0 50 CCAA Cc1ccc(CC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 6729798 SROMBWOWNYVGHU-UHFFFAOYSA-N 296.392 0.641 0 50 CCAA CCN[C@H](C)CNC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O 418283397 ROGDPSPZWQIUHX-WOPDTQHZSA-N 282.388 0.437 0 50 CCAA CC1(C)NC(=O)N(CCN2CCO[C@H]3CCCC[C@H]32)C1=O 230198397 XIFFUCMBKDUPEF-NEPJUHHUSA-N 295.383 0.960 0 50 CCAA COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](C(=O)O)C1 309625395 KPGHMDCUHKBWHJ-OGXFKERWSA-N 273.285 0.918 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)COCC2CC2)N(C)C1 346703131 VTBCRWZTYNZGQD-STQMWFEESA-N 270.373 0.591 0 50 CCAA CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](O)C1 229578339 HOZOACZUEZTPNI-OLZOCXBDSA-N 291.351 0.640 0 50 CCAA NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 67603909 VBVVJNQSCLAZGQ-UHFFFAOYSA-N 254.311 0.716 0 50 CCAA O=C(O)c1ccccc1CN1CC[C@H](O)C[C@@H]1C(=O)O 65423663 RPKGADZAXLZIJJ-CMPLNLGQSA-N 279.292 0.795 0 50 CCAA NC(=O)c1cc2c(nc1NCCN1CCOC1=O)CCC2 32582048 RBDDSJHBOFNTSS-UHFFFAOYSA-N 290.323 0.533 0 50 CCAA CCc1nc(N)sc1C(=O)NCCOc1nonc1C 216039647 CXIBBAAIKYWAAQ-UHFFFAOYSA-N 297.340 0.788 0 50 CCAA COc1ccc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)cc1F 284672217 UYLOYPZOJDAAPQ-ONGXEEELSA-N 296.298 0.549 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(CO)cc2)C1 284642919 MTDFOOBMQQKVJY-STQMWFEESA-N 264.325 0.254 0 50 CCAA Nc1nnc(CCNc2cc(C3CC(N)C3)ncn2)s1 219461034 PLXGPCJDMLSKHT-UHFFFAOYSA-N 291.384 0.770 0 50 CCAA CN1C(=O)N[C@@H]2CN(Cc3c(Cl)cnn3C)CC[C@@H]21 284888937 SWNGWLGSZSMHCX-ZJUUUORDSA-N 283.763 0.671 0 50 CCAA Cc1occc1C(=O)N1CCOC[C@@H]1CC(=O)O 128207743 JDODWVNEYACHNQ-VIFPVBQESA-N 253.254 0.904 0 50 CCAA CC(C)[C@](C)(O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 337688651 KPTLXOSKBXQXPP-ZBFHGGJFSA-N 298.427 0.964 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@H](N2C(=O)[C@H]3CCCN3C2=O)CC1=O 253432951 QDJVRCMZBRSFDN-GWOFURMSSA-N 277.324 0.422 0 50 CCAA Cc1cnc(Cn2c(-c3ncccn3)noc2=O)nc1 361088406 YPZOIKHIVZOPAE-UHFFFAOYSA-N 270.252 0.440 0 50 CCAA C[C@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@H](C)N1 153361589 KIJXXLSOJGCDRJ-QWRGUYRKSA-N 291.351 0.373 0 50 CCAA CNS(=O)(=O)NC[C@@H](O)c1c(F)cccc1Cl 285876504 FKTCOHBXBTVGOE-MRVPVSSYSA-N 282.724 0.566 0 50 CCAA O=C(c1cccc(CO)c1)N1CCN2CCOC[C@H]2C1 365995814 HNBRJLHWGDJYQH-CQSZACIVSA-N 276.336 0.336 0 50 CCAA CC(=O)NCC(=O)N[C@H](Cn1cccn1)c1ccccc1 78143060 SHAUEPPFLXIZOZ-CQSZACIVSA-N 286.335 0.877 0 50 CCAA CC(C)n1cc(C(=O)N2CCOC[C@H]2CC(=O)O)cn1 72161843 XBUXXNYBMHFTFE-LLVKDONJSA-N 281.312 0.780 0 50 CCAA COC[C@H](C)Nc1cc(C2CC(N)C2)nc(N)n1 219903844 SJAFBTINSFILSX-UEJVZZJDSA-N 251.334 0.710 0 50 CCAA CNS(=O)(=O)[C@H]1CCN(C(=O)c2[nH]ccc2C)C1 373817769 CCUSXUMFSLUKOX-VIFPVBQESA-N 271.342 0.087 0 50 CCAA CC(=O)c1csc(C(=O)N2CCOC[C@H]2C(=O)O)c1 262534536 UAFOXQHUPMFETD-VIFPVBQESA-N 283.305 0.876 0 50 CCAA CCn1nc(C(=O)N2CCC3(CC2)CNC(=O)C3)cc1C 77422110 AATHRJZWDUKDBH-UHFFFAOYSA-N 290.367 0.954 0 50 CCAA CCCn1cnnc1[C@H](C)NC(=O)c1cnc(O)cn1 222493214 CMMRSJFFKKPXDJ-QMMMGPOBSA-N 276.300 0.675 0 50 CCAA CCc1ccc(C(=O)NCCc2nc(N)cc(O)n2)[nH]1 223586073 SBYWHPCYOSJLCE-UHFFFAOYSA-N 275.312 0.627 0 50 CCAA CN(C)[C@H]1CCCN(C(=O)NCc2nc[nH]n2)CC1 426621579 HYPMNHDIPZRLBW-JTQLQIEISA-N 266.349 0.430 0 50 CCAA Cc1ncsc1CCC(=O)N[C@H]1C=CS(=O)(=O)C1 82170522 FJQKVUWTLOJOJL-VIFPVBQESA-N 286.378 0.811 0 50 CCAA Cc1nccn1[C@H](C)C(=O)NCCCn1ccnn1 426541491 POHPRXGWVGACSZ-SNVBAGLBSA-N 262.317 0.551 0 50 CCAA CN1CCC(O)(CNC(=O)[C@H](O)c2cccc(F)c2)CC1 220280028 NOLDQZMLGJWPHW-CYBMUJFWSA-N 296.342 0.432 0 50 CCAA CC(=O)c1ccc(N(C)C[C@H](O)CN2CCOCC2)nc1 181210220 MRQUWSFAUNNKGN-AWEZNQCLSA-N 293.367 0.414 0 50 CCAA COCC[C@@]1(CO)CCCN(Cc2nc(COC)no2)C1 92028117 GFRYRLWQXJQJBU-AWEZNQCLSA-N 299.371 0.827 0 50 CCAA C[C@]1(CNC(=O)c2c[nH]c3nccc-3c2)CCC(=O)N1 622098123 WXSMYPIKZWIFRX-CQSZACIVSA-N 272.308 0.913 0 50 CCAA O=C(NCCn1cccc1)[C@H]1CC(=O)N(C2CC2)C1 91434968 XZDVBOBQLVUOPM-NSHDSACASA-N 261.325 0.615 0 50 CCAA CC(C)[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1C(=O)O 91518850 FEYYUZLVGJJTCU-VHSXEESVSA-N 263.359 0.320 0 50 CCAA CN1CCN(Cc2ncc[nH]2)C[C@]12CCNC(=O)CC2 95381412 YJUFZLVYSMEDKN-AWEZNQCLSA-N 277.372 0.196 0 50 CCAA O=C1O[C@H]2C[C@@]1(O)C[C@H]1OC3(CCCCC3)O[C@H]21 252515324 ISPULBJNBWNBEL-BTQIBKBOSA-N 254.282 0.881 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(N(C)C)nc1 534646564 FUFVDVCBJHFHQT-RYUDHWBXSA-N 278.356 0.206 0 50 CCAA COC[C@@H](NC(=O)Cc1c(O)n[nH]c1C)c1ccccn1 534641637 PORNHSZBKCIMOU-GFCCVEGCSA-N 290.323 0.865 0 50 CCAA Cc1ccc(C(=O)NCCc2nnc3n2CCNCC3)cc1 299794229 JOBJWKGGPPKQKX-UHFFFAOYSA-N 299.378 0.705 0 50 CCAA C[C@@H](NC(=O)N(C)CCN(C)C)c1nnc(N)s1 823692193 SEXICAOHLWREDR-SSDOTTSWSA-N 272.378 0.384 0 50 CCAA CCc1noc(CN(C)S(=O)(=O)c2cn(C)cn2)n1 670433859 PWXVDFXSMHKRJD-UHFFFAOYSA-N 285.329 0.186 0 50 CCAA CC(C)C1=NO[C@H](C(=O)N2CCC(N(C)CCO)CC2)C1 584899045 ACPVXXHOVKRDBL-AWEZNQCLSA-N 297.399 0.702 0 50 CCAA COc1cccc2c1OC[C@H](N[C@H]1CCCNC1=O)C2 1875262559 WUDULQSBAFXLAI-NEPJUHHUSA-N 276.336 0.867 0 50 CCAA COC[C@@H](NC(=O)c1cc2sccc2[nH]1)C(N)=O 1875263840 LIUIUMJGIKZWAT-MRVPVSSYSA-N 267.310 0.460 0 50 CCAA CCc1[nH][nH]c2ncnc(=NCc3cc(C(=O)O)n[nH]3)c1-2 1875333204 IJCLHVOQNBVFAV-UHFFFAOYSA-N 287.283 0.322 0 50 CCAA CON1CCC(CC(=O)NCC2=NO[C@@H]3COC[C@H]23)CC1 1875312933 KTODJUSUBASKCC-DGCLKSJQSA-N 297.355 0.167 0 50 CCAA C=CC(=O)N1CCC(C(=O)NC2CC(OC)(OC)C2)CC1 1875369499 RSWDLGZYRAHDPF-UHFFFAOYSA-N 296.367 0.679 0 50 CCAA O=C(NC[C@@H]1NCCc2sccc21)C1(O)CC1 1875329698 DLNBLWRLJUGASD-VIFPVBQESA-N 252.339 0.576 0 50 CCAA Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NCC(N)=O 952849310 NZDPNOCGMNGEEC-UHFFFAOYSA-N 296.270 0.777 0 50 CCAA CO[C@H]1CCCCN(CC(=O)NCc2nccn2C)C1=O 886074686 NZJCLOFCSCGCRH-NSHDSACASA-N 294.355 0.064 0 50 CCAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H](CO)[C@@H](O)C1 1771672107 QKMDTMLLGSJKCG-OCCSQVGLSA-N 295.383 0.171 0 50 CCAA C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC(N2CCCC2)C1 898613589 OOWTWYYFTRZSLI-GFCCVEGCSA-N 293.411 0.988 0 50 CCAA CC(C)CN1C[C@@H](C(=O)NC[C@H](C)c2ncon2)CC1=O 1364243768 OLIBQIUIZHMNPO-QWRGUYRKSA-N 294.355 0.794 0 50 CCAA O=C(CCCc1ccc(F)cc1)N[C@@H]1CNCC[C@@H]1O 1565511878 HIQLQTMQLDSSJK-KGLIPLIRSA-N 280.343 0.987 0 50 CCAA Cn1ncc2c1CCCN(Cc1cc(=O)n3nccc3[nH]1)C2 1473546586 ROAOOISAXLUFRI-UHFFFAOYSA-N 298.350 0.705 0 50 CCAA C=CC(=O)N1CC[C@@H](NC(=O)CC(F)(F)F)C1 585086884 LBTIBZMOTLCFDQ-SSDOTTSWSA-N 250.220 0.842 0 50 CCAA O=S(=O)(NCCCOc1ncccn1)c1cccnc1 585139367 NKMUZANOZXVBPP-UHFFFAOYSA-N 294.336 0.619 0 50 CCAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@@H](O)[C@@H](C)O)C1 585117321 YINZXNCJXOKTGB-REWJHTLYSA-N 286.416 0.745 0 50 CCAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)[C@@](C)(O)C(C)C)n1 408387537 WUOKHEXMRBDCSH-CWSCBRNRSA-N 283.328 0.419 0 50 CCAA CCN1C[C@H](NC(=O)c2ccn(C(C)C)n2)CC1=O 408519791 DFWVHBBDZTWMPR-SNVBAGLBSA-N 264.329 0.815 0 50 CCAA Cc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2 649657267 UZTSMSJKYZHUAU-UHFFFAOYSA-N 291.311 0.625 0 50 CCAA O=C(N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O)[C@@H]1CCCO1 659244441 GRLWCQKQNCNCTP-ORMBPQIASA-N 253.298 0.781 0 50 CCAA Cc1nc(C)c(F)c(N[C@@H]2CCC(=O)N(C)C2=O)n1 572596114 IGUJKDAWNDQRPI-MRVPVSSYSA-N 266.276 0.792 0 50 CCAA Cn1ncc2c(N)nc(N3CCC(C(=O)O)CC3)nc21 572964633 SZIGZTHLDUCFCX-UHFFFAOYSA-N 276.300 0.247 0 50 CCAA CN1CC[C@@](C)(CN(C)C(=O)c2ncc[nH]c2=O)C1 1506399935 RNIIVXAUIXXBES-CYBMUJFWSA-N 264.329 0.184 0 50 CCAA COCCN1CN(C(=O)[C@@H]2CCC[C@H](OC)C2)CC1=O 329183602 OYFBNOAWXSJCMG-NEPJUHHUSA-N 284.356 0.466 0 50 CCAA C[C@H](CCC(=O)O)N(C)C(=O)[C@H]1CCCS1(=O)=O 1875306919 PUUAQPGWTAKEKZ-RKDXNWHRSA-N 277.342 0.275 0 50 CCAA Cc1occc1C(=O)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704303877 CVUZKPSIQNIBCY-BETUJISGSA-N 279.248 0.590 0 50 CCAA c1cc(Cn2nnnc2N2CCOC3(CCC3)C2)no1 1615002090 GXMIXJLMBNQCEG-UHFFFAOYSA-N 276.300 0.469 0 50 CCAA NC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CCCNC1 157404585 ALJPWPHQKGKCFV-GHMZBOCLSA-N 268.361 0.035 0 50 CCAA CN(C)[C@@H]1CCC[C@H]1NC(=O)c1cn(C)c(O)n1 1615558153 QSRYQTFSGMEEBH-PSASIEDQSA-N 252.318 0.338 0 50 CCAA Cc1nc(C)c(C(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)s1 1772706437 COSBORQQHDONMX-AOOOYVTPSA-N 282.365 0.433 0 50 CCAA CC1(C(=O)N2CCCN(C[C@@H]3COCCO3)CC2)CC1 1772811049 SBHCZQWYNDUNTO-CYBMUJFWSA-N 282.384 0.736 0 50 CCAA CC(=O)N1CCN(C[C@@H]2CCC(=O)N(C(C)C)C2)CC1 1772810934 PVXCPQSBIDMBKV-AWEZNQCLSA-N 281.400 0.798 0 50 CCAA O=C(NCCc1ncc[nH]1)[C@@H]1CCCN1C(=O)C1CC1 141130086 BNVNNLODJABRQU-NSHDSACASA-N 276.340 0.469 0 50 CCAA C[C@H](NC(=O)C1(C(=O)O)CC1)C(=O)Nc1ccccc1 154885816 CBNCQJSKJQEFTL-VIFPVBQESA-N 276.292 0.995 0 50 CCAA C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[C@H](C3CC3)O2)O[C@@H]1C(=O)O 1857531888 IXHFNNGKPULMEK-UPXOXWNWSA-N 297.351 0.938 0 50 CCAA CC[C@@]12COC(=O)N1CCN(Cc1cc(O)nc(C)n1)C2 1857703966 XUBUWIGXZRFYOJ-CQSZACIVSA-N 292.339 0.907 0 50 CCAA Cc1noc(C)c1CN1C[C@@H]2OCCC(=O)N(C)[C@H]2C1 1857706224 LFURNYLXOMKYKT-STQMWFEESA-N 279.340 0.723 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)c2cc(C)on2)CC[C@@H]1O 1857720212 JTEVYYXVTLYWQG-JSGCOSHPSA-N 282.340 0.969 0 50 CCAA COc1cc(C(=O)N2CCCN(C(N)=O)CC2)cc(C)n1 407964982 LKUJCWKFFQCSHD-UHFFFAOYSA-N 292.339 0.625 0 50 CCAA O=C(N[C@H]1C[C@H](O)C12CCC2)c1nc[nH]c2nccc1-2 619071873 UHZBBDYYDGGXED-UWVGGRQHSA-N 272.308 0.943 0 50 CCAA Cc1c(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cnn1C 119609241 SAYVFVYSCNOCQY-UHFFFAOYSA-N 299.334 0.839 0 50 CCAA COC(=O)Cc1occc1C(=O)N[C@H]1CCC(=O)N(C)C1 339186267 FLCPMJWBIRQTLQ-VIFPVBQESA-N 294.307 0.346 0 50 CCAA Cc1nc[nH]c1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 356742321 VZSIGMGCILEBLE-YGRLFVJLSA-N 276.340 0.434 0 50 CCAA O=C(CCNC(=O)C1(C(=O)O)CC1)Nc1ccccc1 154891181 LJPOQJXEQWTLNS-UHFFFAOYSA-N 276.292 0.996 0 50 CCAA O=C(O)c1cccc(NC[C@@H](CO)[C@H]2CCOC2)n1 263383130 DAXWRRBDOLOGCP-UWVGGRQHSA-N 266.297 0.837 0 50 CCAA O=C1CC[C@H]2CN(C(=O)C3(n4cccn4)CC3)CC[C@H]2N1 825191709 APDKNADBAVAMTL-NWDGAFQWSA-N 288.351 0.499 0 50 CCAA O[C@H](CN1CCC[C@H]1Cn1cncn1)Cn1cccn1 257365359 PDENYHMBCKVVTO-QWHCGFSZSA-N 276.344 0.000 0 50 CCAA CN1C[C@H](NC(=O)[C@H](CN)c2ccccc2)CC1=O 261617803 UHDHNYVYMXCJOF-VXGBXAGGSA-N 261.325 0.076 0 50 CCAA NC[C@H]1CCCCN1C(=O)c1ccn2cnnc2c1 97088354 NFPRYFNCIHMYCG-LLVKDONJSA-N 259.313 0.683 0 50 CCAA CC(=O)NCCC(=O)NC[C@H]1CC[C@H](CO)CC1 670451145 KCXDJJLIDBRGJJ-HAQNSBGRSA-N 256.346 0.428 0 50 CCAA COc1ccc(S(=O)(=O)NCCO)c(C)c1C 41096089 IANJXWDBMBICMC-UHFFFAOYSA-N 259.327 0.583 0 50 CCAA O=C(Cc1cccs1)Nc1c[nH]c(=O)[nH]c1=O 62952 QXYJBBQZLDTNLX-UHFFFAOYSA-N 251.267 0.306 0 50 CCAA C#Cc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 207027859 XDGQKMCRWMQCTQ-GFCCVEGCSA-N 268.272 0.429 0 50 CCAA C[C@@H](C1CCC1)N(C)C(=O)[C@H]1CCc2nnnn2C1 2325771246 MVCZTMURMCHWKT-ONGXEEELSA-N 263.345 0.883 0 50 CCAA CN1C[C@@H]2C[C@H](C1)N2C(=O)N1C[C@@H]2CC[C@H](C1)O2 2325829263 DSBAEUHKGDEIOM-BKUVIOGVSA-N 251.330 0.358 0 50 CCAA COc1cc(OC)cc([C@H]2NS(=O)(=O)NC2=N)c1 236046 VOAKUHWMZJWNRY-SECBINFHSA-N 271.298 0.160 0 50 CCAA Cc1ccc(S(=O)(=O)N(CCO)CCCO)cc1 1691588 RUCCTVXPDZVRIG-UHFFFAOYSA-N 273.354 0.360 0 50 CCAA CC(=O)c1cccc(S(=O)(=O)NCC(=O)O)c1 3394165 HINKTCFJKCXJFA-UHFFFAOYSA-N 257.267 0.252 0 50 CCAA COc1cc(C)nc(N2C[C@H](C)[C@@H](C(=O)O)C2)n1 226621922 UEKLWUDHPMECNP-CBAPKCEASA-N 251.286 0.951 0 50 CCAA CCCN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)CC)CC1 229561191 QAOYQWUJZCHAJB-LSDHHAIUSA-N 297.443 0.776 0 50 CCAA NC(=O)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 20326440 HQOTWWHBNRLNNA-LLVKDONJSA-N 263.297 0.255 0 50 CCAA NC(=O)c1noc([C@H]2CCCN2c2ncc(Cl)cn2)n1 328630060 PLOISBBXPNTDRZ-SSDOTTSWSA-N 294.702 0.953 0 50 CCAA Cn1nccc1C(=O)NC[C@@H]1CCn2ccnc2C1 328616621 BWPGWYOWFZDHGY-SNVBAGLBSA-N 259.313 0.609 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc(NC(C)=O)cc1 67833628 CAOXJZVAAJKZST-OCCSQVGLSA-N 290.367 0.293 0 50 CCAA CCS(=O)(=O)NCCn1nc(C(F)(F)F)ccc1=O 330447355 FWBVQCTUKZIDKU-UHFFFAOYSA-N 299.274 0.201 0 50 CCAA CN1C(=O)C[C@@H](NCc2ccon2)[C@@H]1c1ccnn1C 284625444 CFFRYCOVENCYAP-ZWNOBZJWSA-N 275.312 0.470 0 50 CCAA Cc1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 77343632 SRHHXSZSDGHNFS-SECBINFHSA-N 255.343 0.656 0 50 CCAA C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccon2)s1 343024197 DCOXRKRROWNOHK-SSDOTTSWSA-N 279.325 0.860 0 50 CCAA CC(C)N(C(=O)Cn1nnc2c(cnn2C)c1=O)C(C)C 154421133 OJPUBQSXFSMAHD-UHFFFAOYSA-N 292.343 0.170 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2cccc(N)c2)C[C@H]1C(=O)O 263071587 GUYVCFVBZKLZGI-LDYMZIIASA-N 284.337 0.610 0 50 CCAA O=C(O)CCC[C@@]1(c2ccccc2)NC(=O)NC1=O 71772427 UXTUBEHYQUEZBG-ZDUSSCGKSA-N 262.265 0.976 0 50 CCAA CC1(C)O[C@H]2[C@@H](O)[C@H]([C@H]3COC(C)(C)O3)O[C@@H]2O1 44963219 KEJGAYKWRDILTF-SQQIUAQRSA-N 260.286 0.375 0 50 CCAA biogenic,in-vitro CO[C@@H]1COCC[C@H]1NC(=O)Cc1ccc2c(c1)OCO2 220711778 CYXMBDBZCRFAMX-BXUZGUMPSA-N 293.319 0.878 0 50 CCAA Cc1nc2ccccc2nc1CN1CC[C@@H](N)[C@H](O)C1 82167340 ILOXEGSJORPQFZ-IAQYHMDHSA-N 272.352 0.832 0 50 CCAA CC1(C)COCCN1C(=O)C[C@H]1CCCS(=O)(=O)C1 328793442 CDRZTWKPLVVIHP-LLVKDONJSA-N 289.397 0.839 0 50 CCAA CN1CCCN([C@@H]2CCOC2)CC12CCNCC2 426546288 WZZXKFWXSJSRPL-CYBMUJFWSA-N 253.390 0.535 0 50 CCAA Cc1ccc([C@@H](C(=O)NCCOCCO)N(C)C)cc1 91364770 JFQXLHNDBSBARG-AWEZNQCLSA-N 280.368 0.723 0 50 CCAA CC(C)CN1C[C@@H](C(=O)NCCc2cnn[nH]2)CCC1=O 426470463 AGEGQCSQQNJPLK-NSHDSACASA-N 293.371 0.358 0 50 CCAA CC(C)(C)c1nnc(N2C[C@H](CCO)[C@@H](N)C2)o1 95376848 XNMHECDMOBMMDW-IUCAKERBSA-N 254.334 0.513 0 50 CCAA Cc1nccn1[C@@H](C)C(=O)NC1CCS(=O)(=O)CC1 426573294 PBSAGZXJMJPQAA-VIFPVBQESA-N 285.369 0.446 0 50 CCAA CC(=O)c1cc(CC(=O)N2CC[C@@H](N)[C@H](O)C2)cs1 426421860 MGRTXWSRZKYSBH-GHMZBOCLSA-N 282.365 0.414 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)Nc1nnc[nH]1 268125714 DEBZPONHDSGMQS-UHFFFAOYSA-N 250.262 0.173 0 50 CCAA COCc1cc(N(C)C[C@@H]2COCCO2)ncn1 91656611 AVMGJVXMTIGYJF-LLVKDONJSA-N 253.302 0.475 0 50 CCAA C[C@H](C(=O)N[C@H]1CCCC[C@H]1O)N1CCSCC1 253618291 JTDXAMVKJQVQOI-GRYCIOLGSA-N 272.414 0.843 0 50 CCAA N[C@H]1CCN(C(=O)COCC(F)(F)C(F)F)C1 534593087 AFHIHQDDMQZJKC-LURJTMIESA-N 258.215 0.463 0 50 CCAA COc1ccccc1[C@@]1(CC(=O)O)CC(=O)N(C)C1=O 299799209 PWUGAANHXRDHEB-AWEZNQCLSA-N 277.276 0.796 0 50 CCAA CC(=O)N[C@H]1CCN(CCc2c(C)n[nH]c2C)C1 299758954 MJRQRWHZJWXDEB-LBPRGKRZSA-N 250.346 0.779 0 50 CCAA CCN1C[C@@H](NC(=O)Nc2cn(C)nc2C)CC1=O 299781413 DLDHSPBOHUPUCD-VIFPVBQESA-N 265.317 0.471 0 50 CCAA Cn1c(=O)c2c(ncn2CC2=CCCC2)n(C)c1=O 647114495 HIGZAISYXDHCHZ-UHFFFAOYSA-N 260.297 0.544 0 50 CCAA CN1Cc2ccccc2C[C@@H]1CNC(=O)Cn1cc(N)cn1 299791835 DTMALCTZMMZXFN-OAHLLOKOSA-N 299.378 0.638 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)NCCCn1cccn1 820631954 GLUQNKOBMNNSCW-LBPRGKRZSA-N 261.329 0.922 0 50 CCAA CCCCn1nc(CC(N)=O)nc1-c1cccc(O)n1 822888872 OSOGXCKIHFYVRV-UHFFFAOYSA-N 275.312 0.874 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncccn2)C1 862093056 UINVCLZJDXSMOP-NSHDSACASA-N 289.339 0.134 0 50 CCAA O=C1N[C@H]2CCN(C(=O)c3cc(O)nc(C4CC4)n3)[C@H]1C2 1875331734 ALFWFYNLPJYQAH-WPRPVWTQSA-N 288.307 0.163 0 50 CCAA CCN1CC[C@@H]1C(=O)N(C)[C@H]1CCCN(C(C)=O)C1 1875341108 GNHJRSWYDZIZIG-QWHCGFSZSA-N 267.373 0.550 0 50 CCAA CC(C)C[C@H]1CN(C)CCN1C(=O)CN1CCOCC1=O 886597428 DNPXTICHISHFMA-ZDUSSCGKSA-N 297.399 0.034 0 50 CCAA CSc1ccccc1C(=O)NC[C@@]1(O)CCNC1 244723870 MJBOODQQZCJGBB-CYBMUJFWSA-N 266.366 0.863 0 50 CCAA Cc1ccc(CN2C[C@H](O)C[C@H]2C(N)=O)c(F)c1 895371543 RNUPNXOAVMGWJK-PWSUYJOCSA-N 252.289 0.555 0 50 CCAA COC(CN1CCN(Cc2nccn2C)CC1)OC 136762651 ANAXGYSJVPQETC-UHFFFAOYSA-N 268.361 0.157 0 50 CCAA CCCOCC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 190001303 YXGZYHFYWAQAPF-WCQYABFASA-N 267.329 0.793 0 50 CCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cn[nH]c2)C1 644118612 QNWZXCKMXICJDU-ZJUUUORDSA-N 261.285 0.735 0 50 CCAA CC1CCC(O)(CN2CCC[C@]3(C2)NC(=O)NC3=O)CC1 192673413 FOHJNBVRKBSKQD-WDIPEOLASA-N 295.383 0.602 0 50 CCAA COC[C@@]1(C(=O)N2CCC(c3ncc[nH]3)CC2)CCNC1 577277573 UHRXDAYJPWRKJG-OAHLLOKOSA-N 292.383 0.742 0 50 CCAA Nc1ncc(/C=C/C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cn1 1506397068 PFADYUOUBDKDIQ-PGLGOXFNSA-N 299.338 0.596 0 50 CCAA CC(C)Cc1cc(C(=O)N(C)[C@H](C)CC(N)=O)nc(N)n1 1506403567 CLVVSFXCXJJXKK-SECBINFHSA-N 293.371 0.593 0 50 CCAA CCOCCC(=O)N1C[C@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1529180220 DRRDDYMIMJUTCC-YPMHNXCESA-N 281.356 0.507 0 50 CCAA CC(=O)c1cnc(N2CCN(CCO)CC2)nc1C 1704330965 MJWIQNZSNAMGFD-UHFFFAOYSA-N 264.329 0.102 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(c1ncnc3[nH]cnc13)C2 1704305582 LRVGZHYPCFRCKK-ZJUUUORDSA-N 274.328 0.120 0 50 CCAA O=C1CCOC2(CCN(CC[C@@H]3COCCO3)CC2)CN1 1857722896 SCXODPYAIFPFID-CYBMUJFWSA-N 298.383 0.163 0 50 CCAA COc1ccc(C(=O)N2CCC[C@H]2C(C)(C)O)nn1 124095848 MTRLETCYKRAUBI-JTQLQIEISA-N 265.313 0.861 0 50 CCAA O=C(c1cccc2nnnn12)N1CCC[C@@H](C2(O)CC2)C1 1772818743 KIPXKDHZQXCUDF-SNVBAGLBSA-N 287.323 0.501 0 50 CCAA C[C@@H](Cn1cncn1)NC(=O)c1ccc2c(c1)OCO2 12383656 VGIYUBWEAWGUEO-VIFPVBQESA-N 274.280 0.825 0 50 CCAA CN(C)CC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 328635839 NQRASIZHPYQWTP-CYBMUJFWSA-N 269.389 0.117 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H]1C(=O)O 237717883 XEAFOBVZNRYXIV-JTQLQIEISA-N 281.312 0.491 0 50 CCAA CCn1ncc2ncn(CCO[C@H]3CCOC3)c(=O)c21 917921924 CVPUFSOZFKFYTP-JTQLQIEISA-N 278.312 0.418 0 50 CCAA Cn1c(=O)c2ccccc2n1Cc1nnnn1C1CC1 931247208 LZPHIQIKDVNTJA-UHFFFAOYSA-N 270.296 0.710 0 50 CCAA COc1ccccc1OCC(=O)NC1(C(=O)O)CC1 203664205 CGUSCVQYKJSVBH-UHFFFAOYSA-N 265.265 0.807 0 50 CCAA O=C(NCc1cccc2cccnc12)[C@H]1C[C@H](O)CN1 127662179 SOJJTSPJXJJTFX-QWHCGFSZSA-N 271.320 0.574 0 50 CCAA Cc1ccnc(N2CCN(CCn3cncn3)CC2)c1 332102093 CQPLDJDIGHRYHJ-UHFFFAOYSA-N 272.356 0.804 0 50 CCAA COCC[C@H]1CN(CC(=O)N2CCCC2)CCO1 670453883 QXBGUAJZYHUGPU-LBPRGKRZSA-N 256.346 0.346 0 50 CCAA O[C@@H]1Cc2ccccc2[C@@H]1N=c1[nH]ccn2cnnc12 362651517 PWHYHGDDLDMGND-NEPJUHHUSA-N 267.292 0.616 0 50 CCAA CC1(C)CN(C[C@H](O)Cn2cccn2)[C@H]2COC[C@H]21 1616027750 RNTSBKZPNBSCMZ-XQQFMLRXSA-N 265.357 0.601 0 50 CCAA N[C@@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100547642 MIZPAUQNDVMCSK-SYEHKZFSSA-N 278.356 0.041 0 50 CCAA C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)C1CCCCC1 2325701381 FFIRZNCPZYFBBO-GXSJLCMTSA-N 266.341 0.777 0 50 CCAA COc1cccc(OCC(=O)N2CCOCC2)c1 1198872 HBOQGVCECSFCPV-UHFFFAOYSA-N 251.282 0.933 0 50 CCAA CCCCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O 2025174 BDSYBDMYLUSPEK-UHFFFAOYSA-N 280.353 0.803 0 50 CCAA NCC(=O)NCC(=O)Nc1ccc2ccccc2c1 2169105 BJDWMUJHVVQXKQ-UHFFFAOYSA-N 257.293 0.853 0 50 CCAA in-vitro O=C(CN1CCCC1)OCCCOC(=O)CN1CCCC1 2356460 NIRVBMHQGGMHTF-UHFFFAOYSA-N 298.383 0.655 0 50 CCAA Cc1nn(C)c(C(=O)N2CCC[C@@]23CCCNC3=O)c1C 2356136389 SDUMWFMAWPAENI-OAHLLOKOSA-N 290.367 0.922 0 50 CCAA CC[C@H](COC)NC(=O)N[C@H](C)c1nnc(O)n1C 864094021 AMDFLMMQKWVDRY-HTQZYQBOSA-N 271.321 0.306 0 50 CCAA O=C(NCc1ccccn1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 105055332 OPKJEKZXOQTIPV-KKOKHZNYSA-N 274.276 0.352 0 50 CCAA Nc1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1 8628906 MFHXSBFTMINXEB-UHFFFAOYSA-N 271.324 0.679 0 50 CCAA COC(=O)c1ccc(-c2nc(CCN)cc(=O)[nH]2)cc1 23158920 KFXIQIFZOOPNEO-UHFFFAOYSA-N 273.292 0.725 0 50 CCAA CNc1ccnc(N[C@@H]2CC(=O)N(CCOC)C2)n1 65409588 GZVYEKHXPCKPDE-SECBINFHSA-N 265.317 0.178 0 50 CCAA COCCS(=O)(=O)NC[C@H]1CCn2ccnc2C1 328623427 JDPRVYGBLFVALC-JTQLQIEISA-N 273.358 0.011 0 50 CCAA CC(C)C[C@H]1C(O)=NCCCN1CC(=O)N1CCN=C1O 328802467 ZWXSVXUGYYCUMG-NSHDSACASA-N 296.371 0.820 0 50 CCAA COc1ccc(C)cc1N([C@H](C)C(N)=O)S(C)(=O)=O 65364666 OWFCTMLWQQGLMP-SECBINFHSA-N 286.353 0.643 0 50 CCAA COCCCC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 330509962 QAYJXZZCHXHUMP-LLVKDONJSA-N 292.401 0.343 0 50 CCAA N=C(O)NC(=O)CN1CCC(CCCn2ccnc2)CC1 330821149 SXOKPRDGMVRSRS-UHFFFAOYSA-N 293.371 0.984 0 50 CCAA Cn1nnc2c1C[C@@H](NC(=O)Nc1cccnc1)CC2 864244843 QPITZFYZIAYBSH-VIFPVBQESA-N 272.312 0.889 0 50 CCAA C[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(C(N)=O)nc1 237553871 HUPVYUANLVICGH-JOYOIKCWSA-N 276.340 0.522 0 50 CCAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1cn(C)c(Cl)n1 237636232 SQKUTOKAQRDMCQ-JGVFFNPUSA-N 292.792 0.574 0 50 CCAA C[C@H]1CN(C(=O)CN2CCC[C@H]2c2cnn(C)c2)CCO1 245835163 CKVNFCHLEUYABP-JSGCOSHPSA-N 292.383 0.804 0 50 CCAA O=C(Cc1nc(-c2ccccn2)n[nH]1)NC[C@H]1CCCO1 32607239 WVWCZLMKULIUPD-SNVBAGLBSA-N 287.323 0.704 0 50 CCAA Cc1ncsc1CCCNC(=O)CN1CCC[C@@H](O)C1 216238367 LYDVYXMHHHANPX-GFCCVEGCSA-N 297.424 0.957 0 50 CCAA O=C(NCCc1cn[nH]c1)N[C@@H]1CC12CCNCC2 612985474 CXZISPWASYTOPS-LLVKDONJSA-N 263.345 0.394 0 50 CCAA O=C(c1ccc2nnnn2c1)N1Cc2ccccc2[C@H](O)C1 82091814 YYIMUBZFJLKCDB-CYBMUJFWSA-N 295.302 0.814 0 50 CCAA Cc1cc(CN(C)C(=O)[C@H](C)N2CCN(C)CC2)ccn1 426726751 KAHTUKQZRNNSLH-AWEZNQCLSA-N 290.411 0.984 0 50 CCAA O=C(NCCCn1ccccc1=O)[C@H]1CC[C@@H](C(=O)O)C1 426506539 DJRAIPMZLIDWES-NWDGAFQWSA-N 292.335 0.856 0 50 CCAA CCC1=NO[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 97823122 DVEVWLQWIVVYAT-VIFPVBQESA-N 279.296 0.668 0 50 CCAA Cc1cc(=O)c(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3O)cn1C 426497041 WDOCKNYXVFJVFU-YABSGUDNSA-N 276.336 0.537 0 50 CCAA C[C@@H](CO)Cc1nc2c([nH]1)CC(C)(C)CNC2=O 95527844 IUJNKQTVHRJMET-MRVPVSSYSA-N 251.330 0.893 0 50 CCAA O=c1ccc(CCc2nc([C@H]3CCOC3)no2)n[nH]1 96164003 SOUFHAXGFTXSPE-QMMMGPOBSA-N 262.269 0.442 0 50 CCAA CCCn1cc(S(=O)(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cn1 91755142 NMZIUERIVGANRR-OLZOCXBDSA-N 298.412 0.651 0 50 CCAA CCCn1cc(NC(=O)N[C@H](C)Cn2cncn2)nn1 95521457 HDXZTVBYHWVPEM-SECBINFHSA-N 278.320 0.490 0 50 CCAA CCC(CO)(CO)NC(=O)[C@H](c1cccc(F)c1)N(C)C 92045739 FPTDMXIHVHDQOT-ZDUSSCGKSA-N 298.358 0.678 0 50 CCAA CN(CCCn1cnnn1)Cc1cnc2ccccn12 244659407 HCDADTSTOSVEET-UHFFFAOYSA-N 271.328 0.843 0 50 CCAA Cc1c(C(=O)N2CCN(CCC(=O)O)CC2)ccn1C 534579057 JJFXLFBWCRRWHQ-UHFFFAOYSA-N 279.340 0.566 0 50 CCAA Cc1noc(C)c1CC(=O)N[C@H]1COC[C@@H]1N1CCCC1 534576187 PKRAGFLTUQPZFB-KBPBESRZSA-N 293.367 0.813 0 50 CCAA CN1CCN(C(=O)OC(C)(C)C)CS1(=O)=O 1775973146 LXXXKFYZBCJAJA-UHFFFAOYSA-N 250.320 0.456 0 50 CCAA Cn1cncc1C(=O)NC1(C(N)=O)CCCCC1 291503820 PLKMLGSGHGOVIS-UHFFFAOYSA-N 250.302 0.338 0 50 CCAA CCO[C@H]1COC[C@@H]1n1cnc2ncccc2c1=O 584902169 IREFGHPNXAUJFY-QWRGUYRKSA-N 261.281 0.768 0 50 CCAA CN(C)C[C@H](O)CNc1ncccc1-c1ncon1 584888406 FELKGWDEEKTVFA-SECBINFHSA-N 263.301 0.466 0 50 CCAA CN(C)C(=O)N1CCC(C(=O)N(C)C[C@@H]2CCOC2)CC1 584901185 JJVMHBKCSYTVNO-LBPRGKRZSA-N 297.399 0.875 0 50 CCAA CC1(C)CCc2nc(O)c(C(=O)NS(C)(=O)=O)cc2C1 1875390708 AOQUIKGQMIHLSY-UHFFFAOYSA-N 298.364 0.992 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cnc2[nH]ccc2n1 1875333097 AIHPMEHHZXBYMO-NSCUHMNNSA-N 260.253 0.417 0 50 CCAA CC(C)[C@H]1N(C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(C)n1)C2 888097893 SEXNDHUWLRFQFH-TUVASFSCSA-N 293.415 0.384 0 50 CCAA O=c1[nH]cnc2[nH]cc(I)c12 44832039 QHYIUMOXLCMESH-UHFFFAOYSA-N 261.022 0.856 0 50 CCAA in-vitro COC[C@H]1[C@@H](NC(=O)c2ncoc2C)[C@H]2CCO[C@H]21 1565507567 UJSCWMCWGNLEFF-LLHIFLOGSA-N 266.297 0.763 0 50 CCAA O=C(CO)NC[C@H]1CSCCN1Cc1ccccc1 277476410 ZPIKUGJPDKUZAF-ZDUSSCGKSA-N 280.393 0.713 0 50 CCAA CCS(=O)(=O)NCCN1Cc2ccccc2C1 170597403 XSNYVDQLGMVXGP-UHFFFAOYSA-N 254.355 0.942 0 50 CCAA CO[C@H]1CN(C(=O)c2nc[nH]c3nccc2-3)[C@](C)(CO)C1 634075019 RGBYKLPPDXGSEK-OTYXRUKQSA-N 290.323 0.521 0 50 CCAA C[C@]1(O)CCN(c2ccc(Cl)c(C(=O)O)n2)C[C@@H]1O 96162384 OOJNPQSNPFSTGB-UFBFGSQYSA-N 286.715 0.755 0 50 CCAA O=C(c1cnc(O)c(Br)c1)N1CC(O)C1 408012627 KWZIYYYDLOTMLJ-UHFFFAOYSA-N 273.086 0.366 0 50 CCAA Cc1cc(C)n([C@@H](C)C(=O)N[C@H]2CCCS(=O)(=O)C2)n1 408163892 IMEAKAOLVXZOMX-RYUDHWBXSA-N 299.396 0.754 0 50 CCAA C[C@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)O)C1=O 408513606 KEJREKZZPNBRDF-MRVPVSSYSA-N 276.248 0.623 0 50 CCAA Cc1c[nH]cc1C(=O)N(CCNS(C)(=O)=O)C1CC1 562964745 QAIZVPYBEPHWOU-UHFFFAOYSA-N 285.369 0.477 0 50 CCAA Cc1ccc(CC(=O)N2CCOC[C@]23CCOC3)cn1 194413272 RHAGPJPTQPGRHR-OAHLLOKOSA-N 276.336 0.950 0 50 CCAA N[C@H]1CCN(C(=O)CCCOCc2ccccc2)C[C@@H]1O 213077834 FGBYUIIJEJNZMB-GJZGRUSLSA-N 292.379 0.904 0 50 CCAA C[C@H](NC(=O)NC[C@@H]1CCCO1)C(=O)NC[C@H]1CCCO1 1615046196 CMEPZZRDJMSQHO-TUAOUCFPSA-N 299.371 0.148 0 50 CCAA CCOC(=O)CN(C)C(=O)COc1ccsn1 1616038059 RPJYBQCKKBFMMP-UHFFFAOYSA-N 258.299 0.543 0 50 CCAA NC(=O)CCCn1cc(NC(=O)[C@H]2CCOC2)cn1 1857723498 ISXIYKZUOPETKX-VIFPVBQESA-N 266.301 0.124 0 50 CCAA CCOC(=O)CCN(C)C(=O)[C@H]1CCCCC(=O)N1 332043877 UUVODVWOENQYBQ-SNVBAGLBSA-N 270.329 0.457 0 50 CCAA CCOC(=O)[C@@H](OCC)[C@@H](OCC)C(=O)OCC 17322720 KWALRSPAGVOALG-AOOOYVTPSA-N 262.302 0.923 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1nnc(C(C)C)o1 643827738 LLIWBKOPOOMSMU-AWEZNQCLSA-N 296.371 0.920 0 50 CCAA O=S(=O)(c1ncc[nH]1)N1CCC[C@H]1CN1CCCC1 647897296 UXEXGUXDNZTVTA-NSHDSACASA-N 284.385 0.659 0 50 CCAA CC[C@@H]1C(=O)NCCCN1CC[C@@H]1CCCNC1 903883830 ZTZPYXICAJGLJL-QWHCGFSZSA-N 253.390 0.977 0 50 CCAA Nc1ncc(C(=O)N2CCC[C@@H]2C2(O)CC2)s1 1772809277 RKWNKCIMDPMWJZ-MRVPVSSYSA-N 253.327 0.855 0 50 CCAA CC(C)n1ccc(CC(=O)N2CCC[C@@H]2C(N)=O)n1 821736273 AGBPXGKTZURXKN-LLVKDONJSA-N 264.329 0.483 0 50 CCAA CSCC[C@@H](O)C(=O)N1CC(n2nc(C)cc2C)C1 222660740 JJOKSRHKRWDVGQ-GFCCVEGCSA-N 283.397 0.997 0 50 CCAA O=C(CSc1nc(O)cc(=O)[nH]1)N1CCCCCC1 5129526 QYINDDSKLRUHRY-UHFFFAOYSA-N 283.353 0.970 0 50 CCAA O=C(O)C1(C(=O)N[C@@H]2COc3ccccc3C2)CC1 154797176 WIOFNHZOEKZANP-JTQLQIEISA-N 261.277 0.971 0 50 CCAA Cc1nc2n(n1)CCN(C(=O)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1N)C2 262680862 XEEWJYAWIDZOHY-XRRVDJEJSA-N 275.356 0.302 0 50 CCAA CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(C)o2)C1 408027656 OQUWOFHVBRGIDF-VHSXEESVSA-N 275.326 0.358 0 50 CCAA Cc1ccnc2nc(C(=O)N(C)CC3(CO)CC3)nn12 682170655 WQVYJVVXLCMNBI-UHFFFAOYSA-N 275.312 0.277 0 50 CCAA COc1cc(C(=O)N2CC[C@](C)(CN)C2)sn1 904929697 ACZIQDNBRBXYTF-LLVKDONJSA-N 255.343 0.963 0 50 CCAA CCCc1nnsc1C(=O)N1CC[C@H](O)[C@H](O)C1 584890572 XAPVJELALCPVHK-DTWKUNHWSA-N 271.342 0.058 0 50 CCAA O=C(N[C@]1(c2ccccc2F)C[C@H](O)C1)[C@H]1CNCCO1 2325800405 DOTZUMFZPMRRDG-YVLXSGLVSA-N 294.326 0.280 0 50 CCAA Cc1ccc(O)c(CN[C@H](C)CN2CCOCC2)n1 112716628 CPQCDOGQYJLRBI-GFCCVEGCSA-N 265.357 0.906 0 50 CCAA CCCN1Cc2nnc(CCOC)n2[C@H](C)C1=O 2356156783 QQWBISQVIKBZAO-SECBINFHSA-N 252.318 0.780 0 50 CCAA CCc1nc(O)ccc1C(=O)N1[C@H]2CC[C@@H]1CC(=O)NC2 2356161593 BCIMAERJXKWQCJ-ZJUUUORDSA-N 289.335 0.843 0 50 CCAA c1nc(N2CCC3(CC2)OCCO3)c2nc[nH]c2n1 6498204 IGRHDVSKXGDLBK-UHFFFAOYSA-N 261.285 0.696 0 50 CCAA C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CC[C@@H]1N 429128292 MTZRLSUGBNFEBB-ONGXEEELSA-N 289.335 0.827 0 50 CCAA C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H]1C[C@H]1C 247542327 DDGLGMDQIUESDS-UTUOFQBUSA-N 254.378 0.330 0 50 CCAA C=CC(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 328596895 BIRCGJSSXRIXMK-UHFFFAOYSA-N 263.297 0.890 0 50 CCAA C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 229529052 PQZIKKQBXPZZQJ-AEJSXWLSSA-N 261.343 0.057 0 50 CCAA O=c1[nH]c(NCC[C@@H]2CCCCO2)nc2c1CCNCC2 63868619 LUIIWAUAVURUKW-NSHDSACASA-N 292.383 0.829 0 50 CCAA CC[C@@H](C(=O)N1CC[C@@](C)(NCC(=O)O)C1)N(CC)CC 328621724 ARBLAURKACKRLY-SWLSCSKDSA-N 299.415 0.772 0 50 CCAA O=C(O)[C@H]1CCCCN1C(=O)c1cnc2cccnn12 863981665 GNYRSJYVABXMPS-SECBINFHSA-N 274.280 0.809 0 50 CCAA O=C(N[C@H]1[C@@H]2CNC[C@@H]21)c1cccc2c1OCCO2 250093547 ZVAMREHHSWWZHV-IAZYJMLFSA-N 260.293 0.405 0 50 CCAA CCc1oc(C(=O)OC)cc1CN1CC[C@@](O)(C(N)=O)C1 285102575 QVDTUOKQUAUJOR-AWEZNQCLSA-N 296.323 0.051 0 50 CCAA O=C(N[C@]1(CO)CCOC1)[C@H](C1CC1)N1CCCC1 332908251 UTOCHEWYWNCOLP-JSGCOSHPSA-N 268.357 0.128 0 50 CCAA COc1ccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cc1 284616502 OOOVGXHMRKGKEH-BXKDBHETSA-N 262.309 0.889 0 50 CCAA O=C1CC[C@H](NC(=O)N2CCOCC2)[C@@H](C2CC2)N1 335557479 NIVQIHGUICSUFN-CMPLNLGQSA-N 267.329 0.085 0 50 CCAA CC(C)(C)OC(=O)NCc1cn(CC(=O)O)nn1 150025528 AQQQUHVIHLWEMT-UHFFFAOYSA-N 256.262 0.387 0 50 CCAA COc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)nn1 156781453 GJGNJXZTKPUALU-SNVBAGLBSA-N 291.229 0.625 0 50 CCAA O=C(NC[C@@H](O)[C@@H]1CCOC1)[C@@]12CCCC[C@H]1CNC2 262505933 JDWWMBYZKBNXBU-QVHKTLOISA-N 282.384 0.280 0 50 CCAA O=C(C1CCS(=O)(=O)CC1)N1CC(c2ccncc2)C1 72149631 KDHJHOBTIFRIMT-UHFFFAOYSA-N 294.376 0.832 0 50 CCAA CNS(=O)(=O)c1ccc(N(C)C[C@H](C)C(=O)O)nc1 263554317 NEDSJQMTCWNXKN-QMMMGPOBSA-N 287.341 0.147 0 50 CCAA C[C@H](CN(C)c1cc(-n2cccn2)nc(N)n1)C(=O)O 263554849 NPPTVPNZMZPMSK-MRVPVSSYSA-N 276.300 0.401 0 50 CCAA C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)O 178831436 BXZSYZCOMRMNFU-KVQBGUIXSA-N 282.218 0.033 0 50 CCAA NC(=O)c1nc(CNC(=O)c2ccc(Cl)cc2F)no1 223054196 WGOWJXZHYGYSEC-UHFFFAOYSA-N 298.661 0.891 0 50 CCAA CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)CO2 85224511 ZAMKJLXCEODXHR-UHFFFAOYSA-N 270.329 0.903 0 50 CCAA in-vitro CC(=O)NC(C)(C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 426647867 DELHTVPLBBVTJT-MRVPVSSYSA-N 266.345 0.680 0 50 CCAA Cc1noc(CN2CC[C@@]3(CCCN(CCO)C3=O)C2)n1 91738591 BAVFWSNHBBKVIJ-AWEZNQCLSA-N 294.355 0.185 0 50 CCAA COc1ccc(C(=O)N[C@@H](C)CO[C@@H]2CCOC2)nn1 268027856 YDIONBNSVCLRKP-VHSXEESVSA-N 281.312 0.409 0 50 CCAA C[C@@H](CN(C)CC(=O)Nc1ccn(C)n1)N1CCOCC1 244842353 UPCRGURFRKCZJK-LBPRGKRZSA-N 295.387 0.011 0 50 CCAA CCc1nc(CN2CCC[C@@]3(C2)CN(C)C(=O)O3)n[nH]1 244724677 MYMDEHNUAQGBGH-ZDUSSCGKSA-N 279.344 0.784 0 50 CCAA C[C@H](C(=O)NCCc1nccn1C)N1CCCC1 244794979 QXMVUNMFMHTAJQ-LLVKDONJSA-N 250.346 0.563 0 50 CCAA CS(=O)(=O)NCCC(=O)N[C@H]1CCc2ccccc2C1 244795381 RFJQAYPLRFHJOM-ZDUSSCGKSA-N 296.392 0.599 0 50 CCAA NC(=O)[C@@H](O)C1CCN(c2ccnc(C3CC3)n2)CC1 299741341 DVRIKPGGILHOMT-LBPRGKRZSA-N 276.340 0.417 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)N(C1CCCC1)C1CC1 299740863 BUBMXVSAWBIQCN-MFKMUULPSA-N 297.374 0.818 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)CCn1ccc(C)n1 534634791 BVLXRNXLHUZVRU-RYUDHWBXSA-N 267.329 0.502 0 50 CCAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cccc(OC)c1OC 299779277 KMOZSOLMVJMADP-NEPJUHHUSA-N 293.367 0.351 0 50 CCAA CCN1CCN(CC(=O)NCCn2cccc2)CC1 487530676 BZNFBHRBFCEPCD-UHFFFAOYSA-N 264.373 0.242 0 50 CCAA Cc1cnn(CC(=O)NCc2csc(N)n2)c1 827863915 APMNZWHQBLNLII-UHFFFAOYSA-N 251.315 0.547 0 50 CCAA O=c1c2cc(F)ccc2ncn1CCn1cncn1 584892375 YCXXISIPTCGJJV-UHFFFAOYSA-N 259.244 0.827 0 50 CCAA CO[C@H]1CN(Cc2ccnc(C(C)C)n2)C[C@@H]1O 670461970 LFBIHANRNAAXSZ-RYUDHWBXSA-N 251.330 0.792 0 50 CCAA N[C@@H]1CC[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)NC1 757214573 MPTXXDGECNEHEO-KYXWUPHJSA-N 251.296 0.996 0 50 CCAA C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(C)Cc2cnn3c2CNCC3)O1 952890468 UZMGJDGNOFOHHC-GYSYKLTISA-N 292.383 0.758 0 50 CCAA COC(=O)N1CC[C@@H](NCCOCCN(C)C)C1(C)C 1875275669 RHPUQWJJNKDPRN-GFCCVEGCSA-N 287.404 0.774 0 50 CCAA O=C(Cn1nnc([C@]2(C(F)(F)F)CCCN2)n1)C1CC1 1875282086 MDJCTTMNTOHWEW-JTQLQIEISA-N 289.261 0.793 0 50 CCAA C[C@@H](Cn1cncn1)C(=O)N(Cc1cnn(C)c1)C1CC1 952869998 SSFYFLQTZUNGKC-NSHDSACASA-N 288.355 0.839 0 50 CCAA O=C(NCC[C@H]1CCCCO1)C1=NO[C@@]2(CCCNC2)C1 888096388 FNGCPPXQSBSHHF-DOMZBBRYSA-N 295.383 0.960 0 50 CCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)Cc2nnn(C)n2)C1 886077613 CVLQYTSCDDQKJK-UPJWGTAASA-N 294.403 0.284 0 50 CCAA CO[C@@H](C)CNC(=O)C(=O)NC1CC2(CO[C@H](C)C2)C1 1354818396 NXPJYAPREZCBEI-KEPWKZQTSA-N 284.356 0.211 0 50 CCAA C[C@]1(O)CCN(C(=O)C2(Cn3cccn3)CC2)C[C@H]1O 1565512632 BUJBPSADTDYPOA-YPMHNXCESA-N 279.340 0.008 0 50 CCAA NC(=O)[C@@H]1CCN(C(=O)NCCSC(F)(F)F)C1 169959343 KPNLUMAJFSPSHO-ZCFIWIBFSA-N 285.291 0.756 0 50 CCAA CN(C(=O)NC[C@@H]1CCCO1)C1(CCO)CCOCC1 170089919 ICHSUUXVJNTISH-LBPRGKRZSA-N 286.372 0.738 0 50 CCAA CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1nncn1C 408241797 MKOSLGNXHVRQAD-JTQLQIEISA-N 279.344 0.791 0 50 CCAA CC(C)S(=O)(=O)NC(=O)c1cn(C)nc1C1CC1 408474428 WLWBRLJAJLFKFG-UHFFFAOYSA-N 271.342 0.766 0 50 CCAA COC[C@@H](O)CN1CCC[C@H](c2ccnc(C)n2)C1 601831636 AKFISSLMTKXODO-STQMWFEESA-N 265.357 0.972 0 50 CCAA CC(=O)NC1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 190527989 FZOOUXFTOVTADI-CYBMUJFWSA-N 278.283 0.476 0 50 CCAA CNC(=O)[C@@]1(COC)CCCN1Cc1cc[nH]c(=N)c1 643829940 RZOHTZGBOYFHIC-AWEZNQCLSA-N 278.356 0.221 0 50 CCAA CO[C@@H]1COC[C@H]1NC(=O)NCc1cccc(C(=O)O)c1 646162104 LMZDDKQUVDINNB-VXGBXAGGSA-N 294.307 0.598 0 50 CCAA N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)N2CCOCC2)C1 652383459 VJWUNPAJMHJHNF-HZSPNIEDSA-N 297.399 0.799 0 50 CCAA CO[C@@H]1CNC[C@H]1NC(=O)[C@@H](C)C1CCOCC1 1614564448 KVIWTEZRGJVURB-MVWJERBFSA-N 256.346 0.152 0 50 CCAA CC(C)N1C[C@H](CN2CCO[C@]3(CCNC3)C2)CCC1=O 1775982051 PMSCFQJHXTUPKV-HOCLYGCPSA-N 295.427 0.698 0 50 CCAA Cc1ncccc1C(=O)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1772702615 KXJFJGAFBGEPIB-OKILXGFUSA-N 290.275 0.392 0 50 CCAA CN(Cc1cnc2ccccn12)c1nc(C(=O)O)nn1C 1857672671 JNQNEGURDJCHLJ-UHFFFAOYSA-N 286.295 0.797 0 50 CCAA Cn1ncc(C(=O)Nc2ccc3c(c2)C(=O)NCC3)c1N 680490066 MAQIRLMOAMBJTN-UHFFFAOYSA-N 285.307 0.541 0 50 CCAA CN1CCC[C@@H](NC(=O)N[C@@H]2CC23CCOCC3)C1=O 527989353 ZJNFFKWHKZQPFX-GHMZBOCLSA-N 281.356 0.476 0 50 CCAA CC1=CCCN(C(=O)[C@H]2Cn3c(C)nnc3CN2C)C1 644455336 NKHGZAWQCBBCNA-GFCCVEGCSA-N 275.356 0.579 0 50 CCAA O[C@@]1(Cn2ccnn2)CCN(c2ccc(Cl)cn2)C1 671466343 KZJNIMUYEWUMDU-LBPRGKRZSA-N 279.731 0.968 0 50 CCAA CN1CCOC[C@H]1C(=O)N1CCN(c2ccncc2)CC1 678346719 WORJOEVITUDXTE-AWEZNQCLSA-N 290.367 0.061 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)[C@H]1CCCN(C(=O)C2CC2)C1 263327837 PEOFIZLLTCVVEO-SDDRHHMPSA-N 294.351 0.614 0 50 CCAA COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2c[nH]nc2C(C)C)C1 592951365 IDQBDNOUKXQYSY-VHSXEESVSA-N 295.339 0.529 0 50 CCAA C[C@]12CN(c3ccc(C(=O)O)cn3)C[C@]1(C)C(=O)NC2=O 900989645 AYWLLNXKHBUSET-ZIAGYGMSSA-N 289.291 0.269 0 50 CCAA Cc1nonc1CNC(=O)[C@@H](C(=O)O)C1CCCC1 852950045 NDCOGJDGVVZVQF-JTQLQIEISA-N 267.285 0.885 0 50 CCAA C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)C[C@H]1CO 275363222 VWMQNFHJZIBRNL-ZJUUUORDSA-N 295.364 0.812 0 50 CCAA C[C@H]1CN(C2CC2)CCN1S(=O)(=O)c1ncc[nH]1 402825170 ZVHFFMNEFYJNEH-VIFPVBQESA-N 270.358 0.267 0 50 CCAA O=S(=O)(N[C@@H]1CC12CCNCC2)c1ccco1 366357826 JJJXGKANJBEIRM-SECBINFHSA-N 256.327 0.700 0 50 CCAA O=C(N[C@H]1CS(=O)(=O)C[C@@H]1O)c1sccc1Cl 1565525915 UXFQZONMLGAQPJ-BQBZGAKWSA-N 295.769 0.289 0 50 CCAA O[C@@H]1CCCOC12CN(c1ncnc3n[nH]cc13)C2 2325789807 OOIKYPXPFMEJNH-SECBINFHSA-N 261.285 0.083 0 50 CCAA C[C@](O)(CNC[C@H]1CCCN1S(C)(=O)=O)C(F)F 905187645 MMLNMQZUNRCNCW-SCZZXKLOSA-N 286.344 0.016 0 50 CCAA CCc1cc(NC(=O)NCCN2CCO[C@@H](C)C2)nn1C 931778145 LTCCNUTWPFVOCQ-NSHDSACASA-N 295.387 0.825 0 50 CCAA COc1ccccc1N1CCN(S(=O)(=O)N(C)C)CC1 182294 HPHBNILZEKIKKR-UHFFFAOYSA-N 299.396 0.624 0 50 CCAA Cc1ccc(-n2nnnc2SCC(N)=O)c(C)c1 534206 JAVOJYTXWZZRJT-UHFFFAOYSA-N 263.326 0.857 0 50 CCAA Cn1nnnc1SCC(=O)Nc1ccccc1C(N)=O 614352 VUPWFBNGKPVEBM-UHFFFAOYSA-N 292.324 0.040 0 50 CCAA O=C(c1nccn2ccnc12)N1CC[C@]2(CCOC2)C1 328869828 CZVKMWOZSUCCOQ-AWEZNQCLSA-N 272.308 0.982 0 50 CCAA CCCC(=O)N1CSC[C@H]1C(=O)N(C)[C@H]1CCN=C1O 328887205 OMDIGLXDUNKTSL-UWVGGRQHSA-N 299.396 0.875 0 50 CCAA O=C(NCCC(=O)N1CCC[C@H]1CO)c1ccc(F)cc1 55360576 DNHVUCLRMSKYIN-ZDUSSCGKSA-N 294.326 0.929 0 50 CCAA Cc1ccnc(N2CCC[C@@H]2c2nc(C(N)=O)no2)n1 328628341 NQLCOSHWTZDSGJ-MRVPVSSYSA-N 274.284 0.608 0 50 CCAA Cc1cc(C[C@H](C)NCC(=O)Nc2cnccn2)[nH]n1 65385086 UVBVRWDMMNDPBW-VIFPVBQESA-N 274.328 0.667 0 50 CCAA O=C(Cn1cnnn1)Nc1ccnn1CCc1ccccc1 338670200 ZATNITYIHGJNBI-UHFFFAOYSA-N 297.322 0.751 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCCN1Cc1cn(C)nn1 339263498 LHCRWCRFUWNGQH-GFCCVEGCSA-N 265.361 0.552 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1nncn1-c1ccccc1 284696643 BICOYLXIGHVRNS-PWSUYJOCSA-N 289.314 0.665 0 50 CCAA O=C(c1ncn[nH]1)N1CCN(CC2CCCC2)CC1 216061428 LGTLWOQXKGMMFC-UHFFFAOYSA-N 263.345 0.753 0 50 CCAA COc1ccc2[nH]c(C(=O)NCC(=O)O)cc2c1OC 35686323 FDGYFRQJQJWYKH-UHFFFAOYSA-N 278.264 1.000 0 50 CCAA O=C(O)CCNC(=O)[C@@H]1CCCN(c2ccccn2)C1 378182401 HFUCQKHEFOZPOT-LLVKDONJSA-N 277.324 0.889 0 50 CCAA O=C(c1nc[nH]c2nccc1-2)N1CCC[C@@H](OCCO)C1 612680112 PONGXVJXRFGYDK-SNVBAGLBSA-N 290.323 0.523 0 50 CCAA COC[C@@H]1[C@@H](NC(=O)CCC(=O)O)[C@@H]2CCO[C@@H]21 222340867 FDSXBGUXKAIQQN-VVJJBPBLSA-N 257.286 0.017 0 50 CCAA CN(C)c1cccc(C(=O)NCCc2ncnn2C)c1 87450315 POAXXPAWXRGGNC-UHFFFAOYSA-N 273.340 0.854 0 50 CCAA CC(=O)Nc1nc(C(=O)N2CCn3cncc3C2)cs1 290898445 HBBCIVZNWZPKGR-UHFFFAOYSA-N 291.336 0.954 0 50 CCAA Cc1cc(=O)cc(C(=O)N(CC(=O)O)CC(C)C)[nH]1 426491031 IDAMYBWCSDOEMH-UHFFFAOYSA-N 266.297 0.866 0 50 CCAA CN1CCC(CCC(=O)NCCc2cnn[nH]2)CC1 426640567 VKFCZQQCWFFBDR-UHFFFAOYSA-N 265.361 0.585 0 50 CCAA O=C(NCCN1C[C@@H]2CCCCN2C1=O)C1CC1 620095846 PZUXVNLIIVFCHJ-NSHDSACASA-N 251.330 0.803 0 50 CCAA CNc1cc(C(=O)N[C@@H](CSC)C(=O)O)ccn1 426489700 TVNUPLHENHCNKO-QMMMGPOBSA-N 269.326 0.669 0 50 CCAA Cc1nc(N[C@@H](C)c2nnn[nH]2)c2c(C)noc2n1 95360192 HLSCYYUEAXDPOS-YFKPBYRVSA-N 260.261 0.921 0 50 CCAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](O)C1 95372904 POQMGTQAWIJPDR-SNVBAGLBSA-N 264.329 0.448 0 50 CCAA CN(C)C[C@]1(O)CCN(C(=O)c2ccc(C(=O)O)s2)C1 97499468 IJLAWZMPSOOVTA-CYBMUJFWSA-N 298.364 0.585 0 50 CCAA Nc1nc2c(c(N3CC(N4CCOCC4)C3)n1)CCCC2 95355705 WUFZDAIVUYGVOL-UHFFFAOYSA-N 289.383 0.458 0 50 CCAA CCN1CCC[C@](C)(C(=O)NCCc2nnc(N)s2)C1 91536062 IKERPZKYTZVDKP-ZDUSSCGKSA-N 297.428 0.901 0 50 CCAA c1cc(CN2CCN([C@@H]3CCNC3)CC2)c2nonc2c1 97772689 RFAUXDHTYGLWHJ-CYBMUJFWSA-N 287.367 0.702 0 50 CCAA O=C(Cn1ccccc1=O)NCc1ccc2nc(O)[nH]c2c1 344517410 NZXTZVOKOWOQKQ-UHFFFAOYSA-N 298.302 0.747 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@@H]3[C@@H]4[C@@H]1[C@H]1[C@H]2[C@]3(F)[C@H]41 254703061 MCRDYFROONDLDI-PEJLCWAPSA-N 297.289 0.740 0 50 CCAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C2(N)CCCCC2)CC1=O 299753161 XCWXBHHOMWJQNK-GRYCIOLGSA-N 279.384 0.774 0 50 CCAA NC(=O)[C@H](O)C1CCN(CCc2cccs2)CC1 299750982 OZOJVORVNSDRPD-GFCCVEGCSA-N 268.382 0.849 0 50 CCAA C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCc2cnccc21 184454043 COGRLJFBKIMTFM-CABZTGNLSA-N 268.338 0.951 0 50 CCAA COC[C@@H]1CCCN1S(=O)(=O)NCC(C)(C)COC 824371082 UDQHPBZCBMDFBU-NSHDSACASA-N 294.417 0.604 0 50 CCAA Cc1nonc1CNC(=O)[C@@H](C)N1CCCCC1 584892432 ZEOJJRBXDWXCTG-SNVBAGLBSA-N 252.318 0.869 0 50 CCAA CC(=O)N1CCN(Cc2nc(C)c(C)s2)C[C@@H](O)C1 670449553 BZHDUGCCGVTHPY-GFCCVEGCSA-N 283.397 0.785 0 50 CCAA CC(C)C1(O)CN(C(=O)NC2CC3(C2)C[C@H]3N)C1 1551583254 SOEYYSVWTGJBJN-SQLBVSGCSA-N 253.346 0.279 0 50 CCAA CCN(CC)C(=O)N1CCN([C@@H]2CCOC[C@@H]2OC)CC1 952879866 ADSIKGLEIYDCPM-KGLIPLIRSA-N 299.415 0.870 0 50 CCAA C[C@@H](O)[C@@H](NC(=O)C1=C2CCN=C2NC=C1)C(F)(F)F 1875319879 WXWYWRWCRYZNRF-HZGVNTEJSA-N 289.257 0.630 0 50 CCAA COCCN1CC[C@@H](CNC(=O)/C=C/CN(C)C)C1 1875376042 WMYHWXNXXFBHKS-IHVVCDCBSA-N 269.389 0.189 0 50 CCAA COC(=O)/C=C/CCNC(=O)[C@H](C)NC(=O)c1ccco1 1875312092 SMGCUQUUTCEATA-HTZNOQTFSA-N 294.307 0.633 0 50 CCAA C[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1CS(N)(=O)=O 887863934 OJNXZSWAEICSPN-KOLCDFICSA-N 286.353 0.205 0 50 CCAA O=C(NC1CCCC1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 245227345 CYEWXIMQAJUNGL-DBIOUOCHSA-N 251.282 0.699 0 50 CCAA Cc1cc(Br)cc(N(C)C[C@H](O)CO)n1 893083049 HXHRVOZXKWHTGU-VIFPVBQESA-N 275.146 0.942 0 50 CCAA O[C@H](CNC1CSCCSC1)CN1CCCC1 1506420638 AUZXDPVALUITSE-GFCCVEGCSA-N 276.471 0.881 0 50 CCAA COc1ccc(Cl)cc1CNC(=O)[C@H]1C[C@H](O)CN1 277595510 PLLGPBDEPNIAKL-WDEREUQCSA-N 284.743 0.688 0 50 CCAA NC(=O)c1cn(Cc2ccc3c(c2)OCCO3)nn1 760172783 MNKDZBAUGBLKBY-UHFFFAOYSA-N 260.253 0.197 0 50 CCAA COc1cc(OC)nc(N(C)C[C@H]2CCN(C)C2)n1 1506422934 BELHHHIAMYELBN-JTQLQIEISA-N 266.345 0.882 0 50 CCAA CC[C@]1(C(N)=O)CCCN(c2cncc(C(=O)O)n2)C1 1529106927 UQHXNWRDFMTACU-ZDUSSCGKSA-N 278.312 0.657 0 50 CCAA CC[C@]1(O)CCN(c2nc(OC)cc(OC)n2)C[C@@H]1O 216354494 DLJOUOPZCRHQDZ-ZANVPECISA-N 283.328 0.206 0 50 CCAA CCN(C)c1cc(N2CCO[C@H](C(=O)O)C2)ncn1 259000191 DZEBFJFZPWXILF-VIFPVBQESA-N 266.301 0.223 0 50 CCAA OC[C@]1(O)CCCN(c2ncnc3cc[nH]c23)CC1 1772812645 NHHWLQWKCXFJBJ-ZDUSSCGKSA-N 262.313 0.672 0 50 CCAA O=C(c1cn(C[C@@H]2CCCO2)nn1)N1CCCCO1 12372855 WMVYUEOVXMEIIH-JTQLQIEISA-N 266.301 0.625 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3CC(CO)C3)n[nH]c21 1857528283 QLKXWGPGWPOCQI-XHHQTKHESA-N 279.340 0.933 0 50 CCAA COc1ncccc1C(=O)N[C@H]1CCc2ncnn2C1 112657774 BRCLMWANYKUQAO-VIFPVBQESA-N 273.296 0.427 0 50 CCAA C[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H](C2CC2)O1 329902312 PHEOMHKFQPRMKA-KWCYVHTRSA-N 265.357 0.743 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1nnc(C(C)C)o1 643827739 LLIWBKOPOOMSMU-CQSZACIVSA-N 296.371 0.920 0 50 CCAA CC[C@H]1CN(CC)CCN1C(=O)COCc1ccnn1C 565347866 LKTKYOUKCNBDSY-ZDUSSCGKSA-N 294.399 0.879 0 50 CCAA CC(C)(/C=C/Cl)NC(=O)c1cn(CC(=O)O)nn1 902868259 KEWHMLNMCQUGKJ-ONEGZZNKSA-N 272.692 0.624 0 50 CCAA Cc1cccn2cc(C(=O)NC[C@@H](O)Cn3ccnn3)cc12 822442291 GUAUICQZGPQERK-CYBMUJFWSA-N 299.334 0.630 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@]2(COC[C@@H](C(=O)O)O2)C1 1857783385 JJLFIJNUCLZNAK-ZANVPECISA-N 287.312 0.866 0 50 CCAA C[C@H]1[C@@H](C)N(C[C@H](O)C(F)(F)F)CCS1(=O)=O 121349273 LUKKEBAUJXVIGL-CSMHCCOUSA-N 275.292 0.417 0 50 CCAA CCc1ocnc1C(=O)N1CCO[C@H](C(=O)O)C1 262918320 DPSQUFWFFJPDKN-QMMMGPOBSA-N 254.242 0.163 0 50 CCAA CS(=O)(=O)[C@H]1CCCC[C@H]1NCCn1cccn1 183183372 MYWIQVSEUCGPSB-NEPJUHHUSA-N 271.386 0.829 0 50 CCAA Cn1nnnc1CN1C[C@H](O)C[C@H]1c1ccc(F)cc1 331657590 SODFKNRISYIQOD-NEPJUHHUSA-N 277.303 0.657 0 50 CCAA O=C(O)c1ccc2c(c1)CCN2S(=O)(=O)N1CCC1 556792468 UYRQPSOSLQFJQE-UHFFFAOYSA-N 282.321 0.698 0 50 CCAA CN(C[C@@H]1CCCN1C)C(=O)c1cnc(N)s1 584885647 RTPBPWFUJZLVMA-QMMMGPOBSA-N 254.359 0.892 0 50 CCAA COC(=O)c1nccc(N(C)C[C@@H]2CCC[C@@H]2O)n1 596175934 XEIQZQCGNFQRHK-UWVGGRQHSA-N 265.313 0.860 0 50 CCAA COc1ccccc1C[C@H](C)N(C)CCS(N)(=O)=O 743856794 OEAZRMWYNKHUGR-NSHDSACASA-N 286.397 0.847 0 50 CCAA NC(=O)c1nc(-c2ccc(Cl)cc2)c[n+]([O-])c1N 331306 INSMGIHJYHREFN-UHFFFAOYSA-N 264.672 0.717 0 50 CCAA O=C1[C@@H]2CCCN2S(=O)(=O)N1Cc1cccc(F)n1 2325772692 QDTDRDWFMLAUSQ-VIFPVBQESA-N 285.300 0.272 0 50 CCAA C[C@H](NC(=O)C1(n2ccnn2)CC1)C(C)(C)C(=O)O 2325790909 VWJZTSYSFMVDJR-QMMMGPOBSA-N 266.301 0.383 0 50 CCAA CC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H](N)C2)ccc1C 123593918 UTPXXVNDZXEVJA-LLVKDONJSA-N 297.380 0.675 0 50 CCAA NC(=O)c1ccc(NC(=O)CCCC(=O)O)cc1 474673 PSUMPMNYXCPPFI-UHFFFAOYSA-N 250.254 0.979 0 50 CCAA NCCCC[C@H](NC(=O)OCc1ccccc1)C(N)=O 2561188 YVKFETNYOZKEGT-LBPRGKRZSA-N 279.340 0.896 0 50 CCAA O=C(NCCOc1ccccc1)C(=O)NC[C@@H]1CCCO1 2988550 SQUXENNQUKVOHC-ZDUSSCGKSA-N 292.335 0.477 0 50 CCAA CCCS(=O)(=O)N1CCC(C(=O)NCCOC)CC1 4149102 FLJCTVXOYVKNPJ-UHFFFAOYSA-N 292.401 0.201 0 50 CCAA Cc1nonc1CN1[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]1C 521396524 PQEJJGLMYUNNRY-KXUCPTDWSA-N 252.318 0.818 0 50 CCAA Cc1ccc(C(=O)NCC(=O)N[C@H]2C[C@@H](O)C2)cc1C 331501059 ZDIMSBIYMCHGOG-BETUJISGSA-N 276.336 0.673 0 50 CCAA CCN(C(=O)c1ccc2nncn2c1)[C@H]1CCNC1=O 441532703 XEUZKGOXBDAHEE-JTQLQIEISA-N 273.296 0.080 0 50 CCAA C[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)[C@H]1CN 252117427 IUKQBMWWIDSNML-KOLCDFICSA-N 272.374 0.168 0 50 CCAA COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 335522690 HYUOCXHJCQUJKN-NHYWBVRUSA-N 296.367 0.847 0 50 CCAA NC(=O)c1csc(C(=O)NC[C@H]2CCCCN2)c1 130664545 NIYKSCNXGFCXSF-SECBINFHSA-N 267.354 0.719 0 50 CCAA COC(=O)CCN1CCN(CC(F)(F)F)C(=O)C1 253417494 FUUDOFZKXIZYDB-UHFFFAOYSA-N 268.235 0.256 0 50 CCAA COC(=O)COCC(=O)N1CC[C@H](C)[C@H](OC)C1 356889881 HJUXXXZYLHSRJE-VHSXEESVSA-N 259.302 0.059 0 50 CCAA Cn1cc([C@H](CO)Nc2ncnc3[nH]c(=N)ccc23)cn1 341337484 XHAAXEOXLCYANM-JTQLQIEISA-N 285.311 0.316 0 50 CCAA CCCn1cc(C(=O)N2CCN[C@H](C(=O)O)C2)c(C)n1 71404198 MYGYNHWPKCWLMK-NSHDSACASA-N 280.328 0.100 0 50 CCAA Cc1nc2c(NC(=O)C[C@@H]3COCCN3)cccn2n1 72169320 JBPVQUKKZLHOEN-SNVBAGLBSA-N 275.312 0.355 0 50 CCAA CN(C)c1cccc(S(=O)(=O)NCCC(=O)O)c1 261602746 CJSUZAKVBOTFQE-UHFFFAOYSA-N 272.326 0.506 0 50 CCAA COc1nc(C)ccc1C(=O)N1CCO[C@@H](CC(=O)O)C1 262691406 BRTRNAHTMLWBCC-JTQLQIEISA-N 294.307 0.714 0 50 CCAA O=C(O)COc1cccc(CNC(=O)[C@H]2CCOC2)c1 262797170 OVXUALPABCJDIQ-NSHDSACASA-N 279.292 0.803 0 50 CCAA C[C@](O)(C(=O)NCc1ccc(NC(N)=O)cc1)C1CC1 286401445 RGJJDSDCPCJQJN-CQSZACIVSA-N 277.324 0.954 0 50 CCAA CN1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 229653928 ZGTANZQLWCTMPF-OLZOCXBDSA-N 277.372 0.926 0 50 CCAA Cc1cnn(CCNC(=O)[C@H]2Cc3ccccc3C(=O)N2)c1 426647388 VWZWRLCWQASOAW-CQSZACIVSA-N 298.346 0.662 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1cccc2c1OCCO2 426486132 YVWLBDAFKVLKJZ-AAEUAGOBSA-N 293.319 0.992 0 50 CCAA Cc1cc(C)n(CCCC(=O)NCCC(=O)O)n1 426628785 PPNKUVUMVZDXJF-UHFFFAOYSA-N 253.302 0.871 0 50 CCAA CCOCCNc1cc(C2CC(N)C2)nc(N)n1 223775444 HABZLLOXIOBNOT-UHFFFAOYSA-N 251.334 0.712 0 50 CCAA Cc1nc2ccc(CNC(=O)CN3CCOCC3)cc2[nH]1 220692218 BZXDLYKZZABKSR-UHFFFAOYSA-N 288.351 0.820 0 50 CCAA COCC[C@@]1(CO)CCCN(C(=O)CCc2cn[nH]c2)C1 91695772 CPJQLLRBNZBWAU-HNNXBMFYSA-N 295.383 0.980 0 50 CCAA C[C@@H]1CN(C(=O)Cc2ccc(CO)cc2)C[C@]1(C)O 91680053 UEZMQGJFUPLDPM-ABAIWWIYSA-N 263.337 0.951 0 50 CCAA COCCc1nc(CCc2ccncc2)n(CC(=O)O)n1 96141348 HDJSNDQFKBHLFN-UHFFFAOYSA-N 290.323 0.732 0 50 CCAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](O)C[C@@H]12 238767710 NKMYDIXLLZQYJO-SWHYSGLUSA-N 299.330 0.171 0 50 CCAA CCC(=O)NCC(=O)N[C@@H](CC)c1nc(C)no1 244787863 QFAJDDNNDCEHBK-QMMMGPOBSA-N 254.290 0.472 0 50 CCAA Cn1cc(CCC(=O)NCC[C@H]2CCOC2)cn1 534583251 BPICAKOMJURPOO-NSHDSACASA-N 251.330 0.896 0 50 CCAA Nc1cccc(C(=O)N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)n1 534675225 DYSBNBWZZLCUBT-SKWLPYGWSA-N 258.325 0.486 0 50 CCAA O=C(C1CCC1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299778437 OXENAJPYGBPRMH-NWDGAFQWSA-N 262.313 0.750 0 50 CCAA Cc1ccc(C(=O)N2CCN(c3nc[nH]n3)CC2)c(C)n1 299756678 DFQBGINTSARJSY-UHFFFAOYSA-N 286.339 0.779 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1onc2c1CCCC2 824506613 LADRMBDIWKXAAO-QWRGUYRKSA-N 266.297 0.697 0 50 CCAA Cc1cc(O)nc(CCNC(=O)c2c(C)ncn2C)n1 584889434 OFVQEZGIANGIBF-UHFFFAOYSA-N 275.312 0.505 0 50 CCAA Cc1cccc2ncn(CCN(C)CCO)c(=O)c12 584887223 FZJJPNMECJFSDP-UHFFFAOYSA-N 261.325 0.629 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)CCc2cccnc2)C1 670472551 VVSDBIDIXQJOKA-ZDUSSCGKSA-N 275.352 0.999 0 50 CCAA CO[C@H]1CN(C2CCN(C(=O)C3CC3)CC2)C[C@@H]1O 670456235 WNPTVHLATPDHNO-STQMWFEESA-N 268.357 0.079 0 50 CCAA Cn1ncc(CN[C@@H]2CC=CCC2)c1S(N)(=O)=O 1875284785 MGVYVBCXVBDQEU-SNVBAGLBSA-N 270.358 0.266 0 50 CCAA Cc1csc(CNC(=O)[C@H]2NCCc3c2cnn3C)n1 1875392475 DWMBVNDCVARWDJ-LBPRGKRZSA-N 291.380 0.688 0 50 CCAA Cc1ncc(CN2CC[C@H](N3C[C@@H](C(=O)O)CC3=O)C2)[nH]1 1875354168 BVZVIXLIGGNBNS-JQWIXIFHSA-N 292.339 0.226 0 50 CCAA C=CC(=O)N1CCN(C(=O)CC(F)(F)F)CC1 888102444 ZZCOTBQWZUOBOV-UHFFFAOYSA-N 250.220 0.796 0 50 CCAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1Cc1cc[nH]n1 1775956984 KYKRMNJCOPAEDV-QWRGUYRKSA-N 292.343 0.689 0 50 CCAA O=C1C[C@@H](CNc2ccc3c(c2)NC(=O)NC3)CN1 1776003364 LESLDZGQUAUBOH-QMMMGPOBSA-N 260.297 0.870 0 50 CCAA O[C@@H](Cn1cc(Br)cn1)C1(O)CCC1 899880995 UGXTYTSSBYSVHQ-QMMMGPOBSA-N 261.119 0.922 0 50 CCAA CO[C@H]1CCOC[C@@H]1NC(=O)CCCn1ccnc1 1565525691 HSSROQRPJGLKIB-RYUDHWBXSA-N 267.329 0.583 0 50 CCAA COCC1(C)CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 408096757 DOMMTOBPAAXJPK-UHFFFAOYSA-N 295.339 0.375 0 50 CCAA CNC(=O)C1CN(c2nc(C(F)(F)F)ns2)C1 408107476 PEEGUFBKMJRQLC-UHFFFAOYSA-N 266.248 0.739 0 50 CCAA Cc1nn(C)c(C)c1CN1C[C@@H](C)[C@H](C(N)=O)C1 408473870 NZLUGHUDGBVJQY-LDYMZIIASA-N 250.346 0.590 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2c(C)nn(C)c2Cl)C1 794024302 BZXGAVMXIXMCJC-WPRPVWTQSA-N 286.763 0.457 0 50 CCAA COc1cccc(CN2CCN(CC(N)=O)CC2)c1 20274248 MDKPMQIICLAUBG-UHFFFAOYSA-N 263.341 0.298 0 50 CCAA O=C(O)CCN1CCC(CNC(=O)[C@H]2CCCO2)CC1 1506414373 PATLLJMKXJPQIF-GFCCVEGCSA-N 284.356 0.468 0 50 CCAA O=C(O)[C@H]1CN(C(=O)Cc2cnccn2)C[C@@H]1C1CC1 216587027 WBLUOOVFJCJEEI-NEPJUHHUSA-N 275.308 0.588 0 50 CCAA CNC(=O)[C@@H]1CCN(S(=O)(=O)CCC2CCCC2)C1 333520545 KOZNSVJNTYJLPV-GFCCVEGCSA-N 288.413 0.964 0 50 CCAA Cc1nsc(C(=O)NC(C)(C)c2cn(C)nn2)c1N 1615585892 HTJVDJGKQSMQOS-UHFFFAOYSA-N 280.357 0.827 0 50 CCAA CNC(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1 1625017015 XLRWKWBRLBTTAA-MRVPVSSYSA-N 255.295 0.357 0 50 CCAA O=C(Cc1cc[nH]n1)NCc1cccn2nccc12 1772817359 CMOYZSPQQVSQQG-UHFFFAOYSA-N 255.281 0.916 0 50 CCAA CN1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1=O 19883878 RPEDWZZKUHKAED-AAEUAGOBSA-N 274.320 0.727 0 50 CCAA CC[C@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OC)[C@@H]3C1=O 169294490 KFBGPCSVPAMFAN-NDXSAKOMSA-N 265.309 0.740 0 50 CCAA aggregator COCCc1noc(CN(C)C(=O)[C@]2(C)CCCO2)n1 152727274 WWELVATZIJPXKK-ZDUSSCGKSA-N 283.328 0.786 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2CCCN2)CCN1CC(F)(F)F 237450533 KRTXNQAVPJJCDH-ZJUUUORDSA-N 279.306 0.833 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)Cn1ncc2ccccc21 262492424 MEDGHBNDMIBAID-GFCCVEGCSA-N 289.291 0.348 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCO[C@@H](C(F)F)C1 908037641 VDJASTOVRCZELQ-SECBINFHSA-N 276.283 0.513 0 50 CCAA C=CC(=O)N(C)CC(=O)NCc1cc(CC)no1 859544300 SXNNBCVOSWSWQI-UHFFFAOYSA-N 251.286 0.498 0 50 CCAA O=C(c1cc2cccn2cn1)N1CCN2C(=O)NC[C@H]2C1 934287118 YTCVNSQZMKXROP-NSHDSACASA-N 285.307 0.184 0 50 CCAA CSCC[C@H](O)C(=O)N(C)Cc1cnn(C)c1C 222818699 LORSKTGKNWFSJF-NSHDSACASA-N 271.386 0.801 0 50 CCAA O=C(CNS(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 210371 XIXIDPABWFCPJT-NSHDSACASA-N 298.364 0.260 0 50 CCAA O=c1c2sccc2ncn1C[C@H]1COCCO1 32540707 FBGJPNWAOKOCHN-QMMMGPOBSA-N 252.295 0.873 0 50 CCAA Cc1coc(C)c1C(=O)N1CCC[C@@](O)(C(N)=O)C1 285388786 GFYYFBHISAIAMV-ZDUSSCGKSA-N 266.297 0.349 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2 67789323 INJUGKXBZSXERA-MNOVXSKESA-N 284.385 0.542 0 50 CCAA Cn1c(CCN)nnc1SCC[C@@H]1CCOC1 426399119 YPHDZPQBOAYWIN-VIFPVBQESA-N 256.375 0.835 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)[C@H]1CCOC1 643849217 WPEPYGUPJMFWFP-CABZTGNLSA-N 257.286 0.115 0 50 CCAA CCN1CCn2c(nnc2[C@H]2CCCN(C(C)=O)C2)C1=O 2100537956 YQRQBKYUVIFSMG-NSHDSACASA-N 291.355 0.480 0 50 CCAA O=C1C[C@H](CNC(=O)c2cc(-n3cccn3)ccn2)CCN1 2325790001 BTTFTOHKADNCRF-LLVKDONJSA-N 299.334 0.523 0 50 CCAA O=C(NCCc1nc(C2CC2)no1)c1coc(O)n1 2325821555 YHMWRAXOHGMLEN-UHFFFAOYSA-N 264.241 0.613 0 50 CCAA NC(=O)c1ccc(Cl)c(N2C(=O)C=CC2=O)c1 458028 UPMCOZJMQSAKFS-UHFFFAOYSA-N 250.641 0.868 0 50 CCAA Cn1nnc([C@@H]2CN(c3ncnc4[nH]ccc34)CCO2)n1 2356144492 ALCIWAGLQPZQCB-VIFPVBQESA-N 286.299 0.059 0 50 CCAA Cc1ccccc1-c1nnc2[nH]c(=O)n(C)c(=O)c2n1 4386739 CRFDRSDWZUQQOF-UHFFFAOYSA-N 269.264 0.387 0 50 CCAA CCOC(=O)C(=O)Nc1c(O)c2ccccc2[nH]c1=O 6458133 IPBIPOQNNQCGIC-UHFFFAOYSA-N 276.248 0.735 0 50 CCAA Cc1cn(Cc2nc(-c3cccnc3)n[nH]2)c(=O)[nH]c1=O 65396828 QIXZSAJRSTUXMX-UHFFFAOYSA-N 284.279 0.073 0 50 CCAA COC(=O)CC(=O)Nc1sc(C)c(C)c1C(N)=O 20113825 HNGSIZDGZXVKMF-UHFFFAOYSA-N 270.310 0.965 0 50 CCAA COc1ncc(CN2CCC(=O)NC[C@H]2C)cn1 67773968 REWYABXARBSULA-SECBINFHSA-N 250.302 0.196 0 50 CCAA CCCCCS(=O)(=O)N[C@H]1CCN(C(C)=O)C1 330822061 PISFEZZWRZRUOO-NSHDSACASA-N 262.375 0.717 0 50 CCAA CCc1c[nH]c(S(=O)(=O)[C@@H](C)C(=O)NCC(C)C)n1 125767873 XQDYOQTZPDRMCT-VIFPVBQESA-N 287.385 0.907 0 50 CCAA Nc1nsc(N2CCN(C(=O)Nc3cn[nH]c3)CC2)n1 242302171 YQAPPWSDCGFSFQ-UHFFFAOYSA-N 294.344 0.198 0 50 CCAA CCn1cnc2c(NCCc3nc(=N)[nH]o3)ncnc21 444068269 CFHKRNQAJYBEMI-UHFFFAOYSA-N 274.288 0.296 0 50 CCAA NC(=O)C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 67739998 ZTGPEHVOVMTDCX-SNVBAGLBSA-N 279.315 0.249 0 50 CCAA C/C=C/Cc1nnc(C(=O)N2CCC[C@@H](C(N)=O)C2)o1 71745977 JZCCKXOHXQUULY-GKQMSVHHSA-N 278.312 0.526 0 50 CCAA CNC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 150744398 FOPWLHJTGAEFIU-GXFFZTMASA-N 275.352 0.281 0 50 CCAA NC(=O)c1noc([C@H]2CCCN2CC(F)(F)F)n1 364444119 VDLWQHBVRBESFD-RXMQYKEDSA-N 264.207 0.868 0 50 CCAA CC[C@@H](Cn1cnc2cn(C)nc2c1=O)N(C)CC 72162543 RYUKHGBJNDWZHN-JTQLQIEISA-N 263.345 0.860 0 50 CCAA CC[C@@H](O)CCNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 158129434 QRQSBPPPVCOHJP-LLVKDONJSA-N 290.323 0.779 0 50 CCAA Nc1nnc(CNC(=O)[C@H](O)c2ccc(F)cc2)s1 219016031 MDBJYZFXEMLTEH-SECBINFHSA-N 282.300 0.609 0 50 CCAA Nc1nc(CCNC(=O)c2cccc(OC(F)F)c2)n[nH]1 219630257 MZBQNZPSCGKWLI-UHFFFAOYSA-N 297.265 0.961 0 50 CCAA CCCn1cc(C(=O)N2CCC[C@](O)(CO)C2)c(C)n1 72142154 MZESSAYUOONASA-CQSZACIVSA-N 281.356 0.561 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COCc1ccccc1 286620639 BQHIJTOVHKYRKK-NEPJUHHUSA-N 280.299 0.628 0 50 CCAA CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 48865131 KKQUCVWOQCTYIE-NSHDSACASA-N 298.364 0.192 0 50 CCAA O=C(O)CCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 178213071 TZPBWSMHSVHBGT-NTSWFWBYSA-N 282.218 0.034 0 50 CCAA O=C1Cc2c(C(=O)N3CCn4cncc4C3)ccnc2N1 615039869 UTJOYLWIHHIPQH-UHFFFAOYSA-N 283.291 0.429 0 50 CCAA N[C@@H]1CCN(C(=O)CCCOCc2ccccc2)C[C@H]1O 82114735 FGBYUIIJEJNZMB-HUUCEWRRSA-N 292.379 0.904 0 50 CCAA CCn1ccnc1[C@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1 95518978 BFMOKDMEDNEJCZ-JTQLQIEISA-N 289.339 0.939 0 50 CCAA CCCN1CC[C@H](CNc2cncc(C(N)=O)n2)C1 92621907 IZRWFMHNVCGEBG-SNVBAGLBSA-N 263.345 0.719 0 50 CCAA Cc1nnnn1CC(=O)NC[C@H]1COc2ccccc2C1 91966440 YBNVOFAGGNDQIV-NSHDSACASA-N 287.323 0.349 0 50 CCAA Cc1nnsc1C(=O)N1C[C@H](CO)[C@H](CN(C)C)C1 91724377 ITVMQEZTOVFZPM-NXEZZACHSA-N 284.385 0.089 0 50 CCAA CC(C)c1ncc(C(=O)N[C@H]2C=CS(=O)(=O)C2)cn1 97360142 HLLKTTPIVYWXHI-JTQLQIEISA-N 281.337 0.641 0 50 CCAA Cc1nn(CC(=O)NC2(C(=O)O)CC2)c(C)c1Cl 237864559 BIGPQKKCXLZATO-UHFFFAOYSA-N 271.704 0.887 0 50 CCAA COc1cccc([C@@H]2CCN2C(=O)CN2CCNC2=O)c1 95502954 VMJWUFMGVAOOBD-ZDUSSCGKSA-N 289.335 0.994 0 50 CCAA COCCNC(=O)c1ccc(C2CCNCC2)nc1 242677009 SULVYSNXKVFXOX-UHFFFAOYSA-N 263.341 0.925 0 50 CCAA COc1c[nH]c(C(=O)NCc2nnc3ccccn23)cc1=O 524734111 XQLXBJSEEJOURL-UHFFFAOYSA-N 299.290 0.356 0 50 CCAA COCCN1C[C@@H](C(N)=O)[C@H](c2cccc(F)c2)C1 255187014 ARMXMGQJKGKYRH-QWHCGFSZSA-N 266.316 0.973 0 50 CCAA CC(=O)NCCNC(=O)N[C@H](C)c1cccc(C)n1 534591514 OCUKFUHMYGYTAX-SNVBAGLBSA-N 264.329 0.886 0 50 CCAA Cc1ccccc1OCCC(=O)NCCc1nc(N)n[nH]1 534591935 CWSOFSNGAOWLTJ-UHFFFAOYSA-N 289.339 0.823 0 50 CCAA N[C@@H]1CN(S(=O)(=O)c2cc3ccccc3s2)C[C@H]1O 534654449 OHVQNBDIFHLJSW-NXEZZACHSA-N 298.389 0.594 0 50 CCAA O=C(Cn1nc2ccccc2n1)NC[C@@H]1CCOC1 534656712 PLXXMXDADUBZHS-JTQLQIEISA-N 260.297 0.584 0 50 CCAA O=C(N[C@@H]1CCc2ccccc21)c1n[nH]c(-n2cnnc2)n1 1940198376 KXUKMCVKTFSSLX-LLVKDONJSA-N 295.306 0.803 0 50 CCAA CCCn1cc(NC(=O)N(C)[C@H]2CCN(C)C2)nn1 299790225 BMMJTSLKHAUHKN-JTQLQIEISA-N 266.349 0.856 0 50 CCAA Cc1nnc(CN2CCN(C)[C@H](CCO)C2)s1 299760104 HGAOBKLSWGVAEC-SNVBAGLBSA-N 256.375 0.345 0 50 CCAA Cc1nccc(N2CCN(CCO[C@H]3CCOC3)CC2)n1 1548453491 HXTBYOFCTWJJFO-AWEZNQCLSA-N 292.383 0.713 0 50 CCAA CCc1nnc(C)cc1C(=O)NC/C=C/C(=O)OC 1875273374 SYRRDCNRCHRELE-AATRIKPKSA-N 263.297 0.806 0 50 CCAA CN(C)[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC(=O)NC1=O 1875290417 DEDHMWRLLDHXOU-RISCZKNCSA-N 287.319 0.508 0 50 CCAA Cc1cccc(S(=O)(=O)N[C@H]2CN3CC[C@H]2C3)c1 1875321311 CVPJKVHXZPXEHM-AAEUAGOBSA-N 266.366 0.977 0 50 CCAA CC[C@@H]1COCCN1CCNC(=O)/C=C/CN(C)C 1875376872 LNOSWYJHDZGSIU-URWSZGRFSA-N 269.389 0.331 0 50 CCAA C=CC(=O)N(CC)CC(=O)N(C)[C@@H]1CCCOC1 1875367137 OBDUPDMLAFROMW-LLVKDONJSA-N 254.330 0.658 0 50 CCAA COC(=O)Cn1nc(Br)nc1Br 71978814 YHDKZDTYFKEFBU-UHFFFAOYSA-N 298.922 0.976 0 50 CCAA in-vitro NC[C@H](CO)Cc1cc(-c2cnc(N)nc2)ccc1F 899325303 TUUBGCRNMIEIQD-SECBINFHSA-N 276.315 0.975 0 50 CCAA Cc1ncc(C(=O)N[C@@H](C(=O)O)C(C)C)c(C)n1 190517950 UDECZKNJXSNFAQ-SNVBAGLBSA-N 251.286 0.932 0 50 CCAA O=C(c1ccc2cncn2c1)N1CC(N2CC[C@@H](O)C2)C1 652892860 MXPSKSHSQZISCY-CQSZACIVSA-N 286.335 0.225 0 50 CCAA C[C@H](CN(C(=O)c1ccnn1C)C1CC1)C(=O)O 195551908 ZPSSUNFJMDMYMP-MRVPVSSYSA-N 251.286 0.745 0 50 CCAA Cn1cc2c(n1)CCC[C@H]2N=c1nc(O)c2cnn(C)c2[nH]1 572463950 DPKNJJZFRRDYKA-SNVBAGLBSA-N 299.338 0.714 0 50 CCAA CC1(C)C[C@]1(C(=O)O)C(=O)N1CCC(NC(N)=O)CC1 663089680 CPUVEBMWCWCLCJ-CYBMUJFWSA-N 283.328 0.147 0 50 CCAA CCn1ncc(C)c1NC(=O)CN1CCCN(C)CC1 1506398816 GKVWRMRXUZNBGH-UHFFFAOYSA-N 279.388 0.787 0 50 CCAA Cc1c(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cnn1C 1529190989 QZPRACBDJDVAOI-IUODEOHRSA-N 287.367 0.554 0 50 CCAA O=C(O)CCC(=O)N[C@H](C(=O)O)c1ccccc1F 1608704876 FWCONAFEHBOQGD-NSHDSACASA-N 269.228 0.932 0 50 CCAA Cc1ncnc(N2CC[C@H](C(=O)O)[C@H](O)C2)c1C 1704314145 PURHUNNIJYISRC-VHSXEESVSA-N 251.286 0.365 0 50 CCAA O=C1C[C@@H](N2CCC(O)CC2)C(=O)N1c1ccc(F)cc1 19938746 XMWKAKUJKBKUJC-CYBMUJFWSA-N 292.310 0.914 0 50 CCAA CCCO[C@H]1C[C@@H](c2nc(C)nn2CCO)CC[C@@H]1N 1875248707 IROQCUMUOADVFR-AVGNSLFASA-N 282.388 0.969 0 50 CCAA CCC[C@@]1(CO)CN(c2ccc(C(=O)O)nn2)CC[C@H]1O 1875249820 CVZITILDRLHKEY-RISCZKNCSA-N 295.339 0.525 0 50 CCAA CC(C)C[C@H]1C(=O)NCCN1Cc1cc[nH]c(=N)c1 331360130 XLMFLZRWIVNTSO-LBPRGKRZSA-N 262.357 0.841 0 50 CCAA O=C(NCc1ccc2c(c1)OCCCO2)[C@H]1C[C@@H](O)CN1 238008499 AQSLQWHPVSGBDC-VXGBXAGGSA-N 292.335 0.187 0 50 CCAA COc1ncccc1CN1CC[C@](O)(Cn2ccnn2)C1 671551794 OFTWKOPHVWFHOW-CQSZACIVSA-N 289.339 0.319 0 50 CCAA NC(=O)C[C@@H]1CCCCN1c1nccn2cnnc12 678612691 KAGRFWSUGJFTHT-VIFPVBQESA-N 260.301 0.359 0 50 CCAA Cc1nc(C)c(C(=O)N2CCC([C@@H](O)CO)CC2)s1 1772710561 BSCLRAIQMZXKQV-NSHDSACASA-N 284.381 0.965 0 50 CCAA CN(CC[C@@H]1COCCO1)CCN1CCOCC1 1775984396 RSVWAHOVOBWRIS-CYBMUJFWSA-N 258.362 0.056 0 50 CCAA O=C(CCc1ncc[nH]1)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 910341653 SBGPWMIZDDONHJ-ZDMBXUJBSA-N 263.297 0.712 0 50 CCAA CN1C[C@H](O)C[C@H]1CNC(=O)C[C@@H](O)c1cccc(F)c1 924989708 TYOMNPWEVPQUSR-BFHYXJOUSA-N 296.342 0.430 0 50 CCAA Cc1nc(CC2CCN(c3nnnn3C)CC2)no1 929060086 VZJNILBGGVSPPS-UHFFFAOYSA-N 263.305 0.361 0 50 CCAA Cn1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1=O 144351780 BVQMRRWNHUUPRB-NSHDSACASA-N 261.325 0.352 0 50 CCAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)NC2CC2)C1 310445937 UIMVFTOJKIOUCJ-SECBINFHSA-N 260.359 0.615 0 50 CCAA CCn1cc(S(=O)(=O)NCCN(C)C)nc1C 330567595 LGLOYTUQTYLYFI-UHFFFAOYSA-N 260.363 0.051 0 50 CCAA CCS(=O)(=O)N1C[C@@H](C(=O)O)[C@H](C(F)F)C1 378723090 HFKKZLBCJKVCPY-PHDIDXHHSA-N 257.258 0.234 0 50 CCAA CNC(=O)Cc1noc(CNC(=O)OC(C)(C)C)n1 685939624 CGXJWUCJPBHUNA-UHFFFAOYSA-N 270.289 0.383 0 50 CCAA CCOC(=O)CNS(=O)(=O)c1ccc(C)cc1 1628053 WZLAJHNLDCWPGH-UHFFFAOYSA-N 257.311 0.836 0 50 CCAA Cc1cccc(NC(=O)CCC(=O)NCCO)c1 2258837 DNIIMRPMULTZEQ-UHFFFAOYSA-N 250.298 0.822 0 50 CCAA CNC(=O)c1no[nH]c1=Nc1ccc(CCO)cc1 2356153447 HSIWYAZQXJKPHY-UHFFFAOYSA-N 262.269 0.130 0 50 CCAA Nc1nonc1C(=O)NCCNCc1cccs1 2862149 YHDZVYYPARUXOF-UHFFFAOYSA-N 267.314 0.233 0 50 CCAA CCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1 9211030 UVPGBWVGVQACKF-UHFFFAOYSA-N 287.410 0.361 0 50 CCAA CCNC(=O)NCC[C@H]1CN(Cc2ccccn2)CCO1 67648907 RTNAGMNUWSOEHO-AWEZNQCLSA-N 292.383 0.992 0 50 CCAA CN1CCN(C(=S)C(=O)NCCc2ccccc2)CC1 20481592 JOWYYGVZZMUVQX-UHFFFAOYSA-N 291.420 0.920 0 50 CCAA O=C(O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1 114648491 PXVPQILKAQMLKV-QWRGUYRKSA-N 265.265 0.843 0 50 CCAA C[C@@H]1CC[C@@H](C(=O)N2CCO[C@H](CN(C)CC(=N)O)C2)O1 328627412 GBRDPDAEEYOGOB-UTUOFQBUSA-N 299.371 0.248 0 50 CCAA CC[C@@H](C(=O)Nc1cnc(N(C)C)nc1)N1CCCC1=O 125630307 XEPRZIKNPYDHFC-NSHDSACASA-N 291.355 0.882 0 50 CCAA O[C@@]1(CNCCOc2cccc3cccnc23)CCNC1 77420852 PIMYGGMGSAIKIO-INIZCTEOSA-N 287.363 0.928 0 50 CCAA CN(C)C[C@@H]1COCCN(c2ncnc3[nH]ccc23)C1 72169610 SLJARMUXAFGQNA-NSHDSACASA-N 275.356 0.972 0 50 CCAA Cc1c[nH]c(C(=O)N2CCC[C@@](O)(CN(C)C)C2)n1 216962466 JCRUGTDULBAWCK-CYBMUJFWSA-N 266.345 0.247 0 50 CCAA CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCC2CC2)CC1 152954481 ZACNIIZGGQWAHZ-AWEZNQCLSA-N 293.411 0.942 0 50 CCAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cccc(N)n1)C2 216114234 XFIRHGSAKWLJOC-ZJUUUORDSA-N 274.324 0.357 0 50 CCAA O=c1ccc2ccccc2n1CCN1CCNCC1 70339892 YPZBOVZTNMPLSL-UHFFFAOYSA-N 257.337 0.907 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N1CCC(c2ccnn2C)CC1 262389544 XURPXHDWFMDOMF-RISCZKNCSA-N 292.383 0.503 0 50 CCAA COc1ccc(CN2C[C@H](N(C)C)C[C@H]2CO)cc1O 215024649 RVSNIUFOISXNET-OLZOCXBDSA-N 280.368 0.898 0 50 CCAA O=C(O)CCCNC(=O)N[C@H]1CCN(c2ccccn2)C1 263291314 VJACDMIJIFCEAE-NSHDSACASA-N 292.339 0.824 0 50 CCAA Cc1nnnn1CCC(=O)NCCCc1ccncc1 222228305 IKYYZFDMSSXJAU-UHFFFAOYSA-N 274.328 0.516 0 50 CCAA NC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccco1)CC2=O 49548690 XEVMIMRMSNBQSW-ZETCQYMHSA-N 272.260 0.980 0 50 CCAA C[C@@H](Cn1cccn1)C(=O)NCC1(N(C)C)CCOCC1 223060512 SXHXPXYLDHSOPQ-ZDUSSCGKSA-N 294.399 0.746 0 50 CCAA COc1ccc(C2(C(=O)N[C@@H]3CCNC3=O)CC2)cc1 223634367 KFNICVHJDXLPMR-GFCCVEGCSA-N 274.320 0.732 0 50 CCAA CCCCN(CCCCO)C(=O)c1cncc(=O)[nH]1 426551736 CIKJHWXHPWDGMY-UHFFFAOYSA-N 267.329 0.785 0 50 CCAA C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1CO 179616371 VHAFLHRGEIWVCN-UTUOFQBUSA-N 257.330 0.554 0 50 CCAA COCCC[C@@]1(C(=O)O)CCCN(CC(=O)NC2CC2)C1 91416516 HGTNSSQDNFOXJX-HNNXBMFYSA-N 298.383 0.858 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1ccccc1-n1cnnc1 426518617 AGJRRYQILCWMNE-AOOOYVTPSA-N 286.291 0.860 0 50 CCAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1cn(C)c(Cl)n1 237437205 SQKUTOKAQRDMCQ-HTQZYQBOSA-N 292.792 0.574 0 50 CCAA C[C@@H](C(=O)N1CCCC1)n1ncc(N(C)C)cc1=O 95355830 GKPRFLYOSYEGSH-JTQLQIEISA-N 264.329 0.493 0 50 CCAA NC(=O)c1cccc(C[C@H]2CCN(C(CO)CO)C2)c1 91494102 KLMMQGWJDBUUBO-GFCCVEGCSA-N 278.352 0.003 0 50 CCAA O=C(c1n[nH]c2c1CCC2)N1CCc2[nH]cnc2C1 95360361 BPUZUZWXRCXAPE-UHFFFAOYSA-N 257.297 0.820 0 50 CCAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)Cn1cccn1 248132631 NPPBMBJOXIWWOM-CHWSQXEVSA-N 262.357 0.968 0 50 CCAA CCN(CC)CCN(CC)C(=O)NCc1nc(N)n[nH]1 534660154 BXUKOHUAJJHBKY-UHFFFAOYSA-N 283.380 0.260 0 50 CCAA Cc1nc[nH]c1CN1CC[C@H]2[C@H](C1)OCc1cnnn12 299788091 UZVBADNGNWBUCN-STQMWFEESA-N 274.328 0.655 0 50 CCAA O=C(NC[C@H]1CC[C@H](CO)CC1)c1cncc(=O)[nH]1 584896281 QMQRMBZKDIPQJR-MGCOHNPYSA-N 265.313 0.298 0 50 CCAA COC(=O)c1cncc(NC(=O)[C@@H]2C[C@H]2C(=O)O)c1 585134666 FKPARWPALXNRJA-RKDXNWHRSA-N 264.237 0.527 0 50 CCAA CC(C)C(=O)N1CCC[C@H](NC(=O)c2cnn[nH]2)C1 670457205 IWMSUDPEEJVBTD-VIFPVBQESA-N 265.317 0.182 0 50 CCAA CC[C@H](NC(=O)CN1CCCN(C)CC1)c1ncc(C)[nH]1 584899312 QTMCFIOFCXHQKE-ZDUSSCGKSA-N 293.415 0.923 0 50 CCAA Cc1ccoc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942814 WELSIIFOVPECTI-WDEREUQCSA-N 277.280 0.887 0 50 CCAA CCn1nncc1CNC(=O)N1C[C@H](N)C2(CCC2)C1 1553509016 JMSAVSXPBPNTTD-NSHDSACASA-N 278.360 0.321 0 50 CCAA CC1(O)CN(Cc2cnc(C3OCCO3)s2)C1 877581348 YGCLYRMBCGMIIB-UHFFFAOYSA-N 256.327 0.755 0 50 CCAA Cc1cc(N2CC[C@]3(CCCNC3)C2)nc(CO)n1 1875282131 OMPWSTYQEXAXJF-AWEZNQCLSA-N 262.357 0.857 0 50 CCAA CC(C)NC(=O)CN1CCC[C@H](c2cnn[nH]2)C1 1875273821 PZSDONHNHQWRIM-JTQLQIEISA-N 251.334 0.509 0 50 CCAA COC(=O)/C=C/CNC(=O)c1cnn2cccnc12 1875333322 OGLYJZIBGXBBIL-DUXPYHPUSA-N 260.253 0.188 0 50 CCAA C=CC(=O)NCC(=O)N1Cc2ccccc2C[C@@H]1CO 1875372037 UORRGTOMOATTHF-CYBMUJFWSA-N 274.320 0.234 0 50 CCAA O=C(Cn1c(Cc2ccc(F)cc2)noc1=O)NC1CC1 1875391582 DRZOXXFYKAQPGS-UHFFFAOYSA-N 291.282 0.845 0 50 CCAA O=C(O)[C@H]1[C@H](C(=O)Nc2cccnc2)[C@H]2CC[C@H]1O2 245239356 ICXOFXLAPGLSDF-GWOFURMSSA-N 262.265 0.898 0 50 CCAA CC(=O)N1CC[C@H](NC(=O)c2ccc(C)nc2)[C@@H](O)C1 991271814 HHBNAJMXRVKWQB-STQMWFEESA-N 277.324 0.102 0 50 CCAA Cn1ncnc1CCNC(=O)[C@@H]1CCC[C@H](O)C1 1565525549 FENNTPLIOJWYIC-ZJUUUORDSA-N 252.318 0.025 0 50 CCAA C[C@H](N)C(=O)N1CCN(c2cc(F)ccc2F)CC1 168933288 XBJKQPQRQLXICZ-VIFPVBQESA-N 269.295 0.961 0 50 CCAA CN1CCN(C(=O)c2ccccn2)C[C@H]1c1nccn1C 276567364 GSDYCJKAZHWUGF-ZDUSSCGKSA-N 285.351 0.944 0 50 CCAA COC(=O)[C@H](NCc1ccccc1OC)[C@H](C)O 170606978 YOAVUFRRVSGUKQ-JOYOIKCWSA-N 253.298 0.707 0 50 CCAA CCn1nncc1C(=O)NCC1(O)Cc2ccccc2C1 550963241 DBIQVJHQODZHIW-UHFFFAOYSA-N 286.335 0.558 0 50 CCAA O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cscn1 408148765 DHSLRVVMGGMTEW-JTQLQIEISA-N 295.364 0.653 0 50 CCAA C[C@@]1(C(=O)NCCOCC(N)=O)CCc2ccccc2C1 408513587 PENVLFLFHZBGPB-MRXNPFEDSA-N 290.363 0.800 0 50 CCAA Cc1noc2ncnc(N3CCN(C)C(=O)[C@@H]3C)c12 192540129 DGNRDLVQJKSGQG-QMMMGPOBSA-N 261.285 0.593 0 50 CCAA Cc1cc(C)cc([C@@H](O)CN2CC[C@H](S(N)(=O)=O)C2)c1 772228379 WOSJLLOMDHYZHK-KBPBESRZSA-N 298.408 0.700 0 50 CCAA Cn1ccnc1C(=O)N1CCC(O)(CN2CCCC2)CC1 1506424834 CQBWGRDWWSJQPT-UHFFFAOYSA-N 292.383 0.483 0 50 CCAA Cc1cc(C(=O)N[C@H]2CC[C@H](N)C2)n(CCN(C)C)n1 211285047 ZPNAMMZVDYMOGJ-RYUDHWBXSA-N 279.388 0.363 0 50 CCAA C[C@](Cn1cnc2ccccc21)(NS(C)(=O)=O)C(=O)O 1616035136 RRKZVYMGGRCNKQ-GFCCVEGCSA-N 297.336 0.429 0 50 CCAA COc1cnc(N2CCC(O)(CN(C)C)CC2)nc1 1529174459 ULOBGDFYLMECPQ-UHFFFAOYSA-N 266.345 0.378 0 50 CCAA Cc1ccc(OCC(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)cc1 1772711077 WKKNJEGZNCTWLS-OKILXGFUSA-N 291.347 0.433 0 50 CCAA CC[C@H](C(=O)NC)N(c1ccccc1)S(C)(=O)=O 13710920 KHLZIRPHHOFVTA-LLVKDONJSA-N 270.354 0.977 0 50 CCAA NC(=O)[C@@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(F)cc1 1857532095 VCENUKPRTATMIQ-GUBZILKMSA-N 280.255 0.189 0 50 CCAA O=C1N[C@H]2C[C@@H]1N(C(=O)c1ccc3c(c1)CCCO3)C2 1857667241 NZEQLXOBRBOHRW-RYUDHWBXSA-N 272.304 0.725 0 50 CCAA Cc1cocc1C(=O)N1CCO[C@@H](Cn2ccnn2)C1 636213822 RGBZHZTZEKMBIW-LLVKDONJSA-N 276.296 0.721 0 50 CCAA C[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H](C2CC2)O1 329902313 PHEOMHKFQPRMKA-MRVWCRGKSA-N 265.357 0.743 0 50 CCAA CCn1nncc1CN1CCC[C@@](O)(CC(=O)N(C)C)C1 643751850 CZWHUZRSBNSEDA-CQSZACIVSA-N 295.387 0.103 0 50 CCAA O=C(O)[C@@H](c1ccc2c(c1)OCCO2)N1CCOCC1 16764673 VBUTXUTUGOIRRJ-CYBMUJFWSA-N 279.292 0.916 0 50 CCAA CC(C)(N)C(=O)N1C[C@H](c2cccnc2)[C@@H](C(=O)O)C1 253372889 HBHRHRYTKXFOBC-MNOVXSKESA-N 277.324 0.446 0 50 CCAA CC(C)(O)CN(CC(=O)N1CCOC[C@@H]1C1CC1)C1CC1 364443454 PVDVTHMDNXKPBX-CQSZACIVSA-N 296.411 0.859 0 50 CCAA COC[C@@H]1CCCN(C(=O)c2cnc(C(=O)O)cn2)C1 263235191 CRHKVBCNFCRTBR-SECBINFHSA-N 279.296 0.673 0 50 CCAA CN(CCN1CCCC1=O)C(=O)[C@H]1CC[C@H](N)C1 237135589 MHMVVWLYQPOHRT-QWRGUYRKSA-N 253.346 0.195 0 50 CCAA COC[C@@]1(C(=O)O)CCN(C(=O)C2CC=CC2)C1 310979251 SSTCXQJAIDBQKY-CYBMUJFWSA-N 253.298 0.902 0 50 CCAA CCc1nc(CCN[C@@H](C)CS(C)(=O)=O)no1 584896805 OPGYPQKAGYJSFT-QMMMGPOBSA-N 261.347 0.197 0 50 CCAA O=C(NC[C@H](O)c1cnc[nH]1)[C@@H]1Cc2ccccc21 1349185692 SHRLIXJPGQOWOP-YPMHNXCESA-N 257.293 0.899 0 50 CCAA NC[C@H]1C[C@@H](O)CN1c1cc(N2CCC=C(F)C2)ncn1 2325785111 CPYRQFNBASKLKZ-VXGBXAGGSA-N 293.346 0.438 0 50 CCAA O=C(C(=O)N1CC[C@H](c2ncon2)C1)c1ccc(O)cc1 1471813818 DXMFQTKJKNMPJX-JTQLQIEISA-N 287.275 0.974 0 50 CCAA O=C(NCCNC(=O)c1ccncc1)c1ccncc1 1684294 VZUZYYMFEBYFMP-UHFFFAOYSA-N 270.292 0.636 0 50 CCAA O=C(CCn1cncn1)NCCc1cscn1 110808776 YCBWNZFMMHWXGW-UHFFFAOYSA-N 251.315 0.484 0 50 CCAA Cc1[nH]ccc1C(=O)NC[C@@H]1CN(C)CCN1C 408365033 GHQIOWKDSJLFOV-LLVKDONJSA-N 250.346 0.299 0 50 CCAA O=C(CCc1ccc(O)nc1)N1CC(O)(C(F)F)C1 425021889 VPWWYLQBKBDUDA-UHFFFAOYSA-N 272.251 0.558 0 50 CCAA O=C(O)Cn1ccc(NC(=O)CC[C@@H]2CCCO2)n1 122854294 LGLSXMBORYEJIS-VIFPVBQESA-N 267.285 0.865 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21 250801266 BNPAZONSIXUGTQ-ZRUFSTJUSA-N 253.298 0.735 0 50 CCAA COCCOc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2)cc1 237144038 QWQOLUOOQKQVDP-TZMCWYRMSA-N 294.351 0.051 0 50 CCAA O=C(NCCc1cnn(-c2ccccc2)c1)c1c[nH]c(=O)[nH]1 215133682 SNFCDAYOUKKDHM-UHFFFAOYSA-N 297.318 0.861 0 50 CCAA Cc1c(CN(C)Cc2cn[nH]c2C(=O)O)cnn1C 71589463 FAAASIGHPSZHFG-UHFFFAOYSA-N 263.301 0.782 0 50 CCAA CC(C)Cn1cc(CN2CCO[C@H](C)[C@H]2C(N)=O)cn1 284484903 CEHZNMAPCMBJTB-YPMHNXCESA-N 280.372 0.614 0 50 CCAA CC(C)[C@H](NC(=O)N[C@@H]1CCOC1(C)C)C(N)=O 458945197 CYNWZGGTCSTJTH-BDAKNGLRSA-N 257.334 0.363 0 50 CCAA O=C(NC[C@H](O)c1ccccc1F)[C@H]1CCNC1 151454711 BPLHERKBHSWAKM-CABZTGNLSA-N 252.289 0.585 0 50 CCAA CCn1cc(S(=O)(=O)N2C[C@H]3CCCN3C[C@H]2C)cn1 257365444 SVFTULSAXGTPDK-VXGBXAGGSA-N 298.412 0.760 0 50 CCAA CC(=O)N1CC[C@@](C)(C(=O)NCc2cc(C)no2)C1 365616951 DGYFSWFYNRWHEQ-CYBMUJFWSA-N 265.313 0.858 0 50 CCAA C[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)nc2)[C@H]1CN 156972950 SJQODZLRMVMNHS-SKDRFNHKSA-N 276.340 0.380 0 50 CCAA CC(C)(C)CC(=O)NCC(=O)N[C@@H](C(=O)O)C1CC1 262176767 RJEZEAQNANKOBD-LLVKDONJSA-N 270.329 0.518 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccoc1Cl 286841919 MOLQWPBERJEXAI-VDTYLAMSSA-N 260.652 0.971 0 50 CCAA COc1ccc2c(c1)[C@H](NC(=O)CN1CCOCC1)CO2 45027539 CFAYQJBZYQSHPE-CYBMUJFWSA-N 292.335 0.577 0 50 CCAA CCO[C@H]1CN(C(=O)Cc2ccncc2)C[C@@H]1O 223871766 DEIADFIUEONWBK-RYUDHWBXSA-N 250.298 0.232 0 50 CCAA Cc1nnc2ccc(C(=O)N[C@@H]3CCCN(C)C3=O)cn12 530886522 ATMZKDQAUUKVJY-LLVKDONJSA-N 287.323 0.388 0 50 CCAA CN(C[C@H]1Cc2ccccc2O1)C(=O)Cc1nc(O)n[nH]1 426504112 VOLSQENKCHRHCU-SNVBAGLBSA-N 288.307 0.515 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1c1ncnc2c1ncn2C1CC1 292890157 ZTSOBQVKYVMXQJ-APPZFPTMSA-N 290.302 0.563 0 50 CCAA Cc1ccc2c(c1)c(CNC(=O)CN(C)C(N)=O)nn2C 426489711 VHQBYKYNLKGRIL-UHFFFAOYSA-N 289.339 0.508 0 50 CCAA CC(C)OC[C@H](O)Cn1nnc(-c2ccco2)n1 180106985 ADSPTJXZRAXUHO-SECBINFHSA-N 252.274 0.719 0 50 CCAA CCN1C[C@H](C(=O)N2CC(c3cccnc3)C2)CC1=O 95378915 NPIZBWYAPIUUCC-GFCCVEGCSA-N 273.336 0.876 0 50 CCAA CC(C)C[C@H](NC(=O)NCc1ccon1)C(N)=O 426582820 MJNDFXMOQQHBQP-VIFPVBQESA-N 254.290 0.374 0 50 CCAA CCc1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cc(=O)[nH]1 91476527 UZBBRSQHAQKRPC-OLZOCXBDSA-N 275.352 0.747 0 50 CCAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1C[C@@H](O)CO1 91655947 IWRZDDBOTTZAKK-SNVBAGLBSA-N 277.255 0.964 0 50 CCAA CCc1nn(C)cc1C(=O)N1CCO[C@@H](CF)C1 622700591 QTCQJGAOOHWDHL-VIFPVBQESA-N 255.293 0.793 0 50 CCAA CCc1nc(C)sc1C(=O)N1CC[C@](C)(O)[C@@H](O)C1 96166247 XCUBKDAVNVBYKU-GWCFXTLKSA-N 284.381 0.972 0 50 CCAA CN1CCC[C@H](C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)C1 230511796 YOUVHECRDYPZEV-NSHDSACASA-N 288.351 0.814 0 50 CCAA CNC(=O)c1nc(CN(C)[C@H](C)c2ccncn2)no1 244873576 WSICJNHNHACXPU-MRVPVSSYSA-N 276.300 0.412 0 50 CCAA COCCc1noc(CNC(=O)CCn2cc(C)cn2)n1 244646947 GSFOIIPKXMMHEG-UHFFFAOYSA-N 293.327 0.470 0 50 CCAA Cc1c[nH]c(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)n1 244678765 IJQIZQFEUMTVBR-WCQGTBRESA-N 289.339 0.694 0 50 CCAA Cc1ccc([C@H](O)CN2CCC([C@@H](O)C(N)=O)CC2)cc1 299747177 CHLKUOSALNTTQZ-HUUCEWRRSA-N 292.379 0.587 0 50 CCAA CNC(=O)[C@@H](C)N(C)C(=O)NCCCNc1cccnc1 534631024 SWBWPNAAHVXOSL-LLVKDONJSA-N 293.371 0.660 0 50 CCAA c1ccc(-n2[nH]nnc2=NCc2noc(C3CC3)n2)cc1 535006393 QCYIKMNDJCIYRS-UHFFFAOYSA-N 283.295 0.957 0 50 CCAA Cc1cc(=O)c(C(=O)NC(C)(C)C(=O)O)cn1C 534642917 IHMUBKJEEVWBOP-UHFFFAOYSA-N 252.270 0.287 0 50 CCAA O=C(NCCCOC1CCCC1)[C@@H]1CCCNC1=O 534654431 SFQUOQMUTWXGSF-GFCCVEGCSA-N 268.357 0.978 0 50 CCAA Cc1c(C(=O)NCCCN2CCC[C@@H](O)C2)ccn1C 299769332 MEDMEOYVVRJIEK-CYBMUJFWSA-N 279.384 0.910 0 50 CCAA CCCn1cnnc1[C@H](C)NS(=O)(=O)c1cnn(C)c1 823031046 UAJKIPPEGSOWHA-VIFPVBQESA-N 298.372 0.461 0 50 CCAA CC[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1 545962700 RWODQHPAKBVVMF-NSHDSACASA-N 275.312 0.765 0 50 CCAA Cc1cccc2nc(N3CC4(C[C@H](O)CNC4=O)C3)oc12 1548522946 HKBWAHOFZLOYGU-JTQLQIEISA-N 287.319 0.823 0 50 CCAA Cc1cncc(CCNC(=O)N2C[C@@H]3CC[C@]3(N)C2)n1 1553510242 QHYPCDSUABZZPN-FZMZJTMJSA-N 275.356 0.460 0 50 CCAA CCN(CC(OC)OC)C(=O)C1(C(=O)NC2CC2)CCC1 952994975 YOYKEFZCDLEWHZ-UHFFFAOYSA-N 298.383 0.903 0 50 CCAA C[C@@H](CN(C)C[C@@H]1[C@H]2CNC[C@H]21)N1CCOCC1 952965031 RKXIDMMWBWOYSI-IGQOVBAYSA-N 253.390 0.104 0 50 CCAA C[C@@](Cn1cccn1)(NC(=O)c1ccsc1)C(N)=O 889646343 LMQXLYVGEQXZAR-LBPRGKRZSA-N 278.337 0.619 0 50 CCAA CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H]2OC(C)(C)O[C@H]12 44608349 WNHXYQWRRURBBJ-GWOFURMSSA-N 274.269 0.358 0 50 CCAA in-vitro CS(=O)(=O)/C=C/CNC(=O)c1cc(C(F)(F)F)n[nH]1 1776007002 FVNHRFUROVHIOA-DUXPYHPUSA-N 297.258 0.717 0 50 CCAA CCS(=O)(=O)N1CCN(c2ncnc3cc[nH]c23)CC1 1154793711 CRIQMZJDINVYTL-UHFFFAOYSA-N 295.368 0.430 0 50 CCAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)CC1CCCC1 1565526811 VZRYPAWTNLSIPB-RYUDHWBXSA-N 285.340 0.942 0 50 CCAA O=C(C[C@H]1CSCCN1)N(C[C@@H]1CCCN1)C1CC1 186517633 RQFJIFMMEUVQKJ-RYUDHWBXSA-N 283.441 0.825 0 50 CCAA C=Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CO)cc1 632578336 SSLXPXXUDXGFGY-ZDUSSCGKSA-N 296.392 0.627 0 50 CCAA C[C@H]1C(=O)NCCCN1Cc1nc(C(C)(C)C)n[nH]1 408392625 GEYBSDWICITCIT-VIFPVBQESA-N 265.361 0.813 0 50 CCAA C[C@@H]1OCC[C@@H]1C(=O)N1CCC(n2cnnc2O)CC1 551930453 QGDSYAFQYYFZKN-ONGXEEELSA-N 280.328 0.572 0 50 CCAA C[C@H]1CC[C@@H](Cn2nnn(-c3ccccc3)c2=O)O1 190618627 GCCARBUVJDIBAS-JQWIXIFHSA-N 260.297 0.997 0 50 CCAA C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cn2)CCO1 193007374 SGULGIVXEYMSFA-QMMMGPOBSA-N 267.260 0.407 0 50 CCAA Cn1cc(C(=O)NCCc2nc(=O)o[nH]2)c(C2CCC2)n1 566135623 KOAJHYYTHZENEQ-UHFFFAOYSA-N 291.311 0.336 0 50 CCAA COc1nc(C)cc(N[C@@H]2C[C@@H](C(=O)O)C[C@H]2O)n1 662895988 HSGKIHPIZVVJCJ-IWSPIJDZSA-N 267.285 0.430 0 50 CCAA CN(C)C1(C(=O)N2CCC[C@H](N3CCNC3=O)C2)CC1 667199968 ZYHOZVGMTFXGTA-NSHDSACASA-N 280.372 0.097 0 50 CCAA O=C(NC[C@H]1CCn2ccnc2C1)NC[C@@H]1CCCO1 583614998 KUYCUNNBEBLLIG-RYUDHWBXSA-N 278.356 0.924 0 50 CCAA CC(=O)Nc1nonc1NC(=O)Cc1c(C)noc1C 1506423343 WBGKBUSVDOBCDI-UHFFFAOYSA-N 279.256 0.814 0 50 CCAA CCCN1C[C@@H](Nc2nc(N)c3cnn(C)c3n2)CC1=O 1506414995 JLDQZSIDXYIZQO-QMMMGPOBSA-N 289.343 0.368 0 50 CCAA CCOC(=O)C(=O)N1CCN(c2ccccc2)CC1 2774026 DXCWLRXDYFCTTA-UHFFFAOYSA-N 262.309 0.898 0 50 CCAA NC(=O)C[C@]1(O)CCCN(c2ncc(Cl)cn2)C1 643713908 GGWPEWNTDHDSNY-LLVKDONJSA-N 270.720 0.337 0 50 CCAA O=C(NC[C@H]1CCCN1)N1CCC[C@H](CCO)CC1 333267484 JVPVTEWDGSPYFU-QWHCGFSZSA-N 269.389 0.933 0 50 CCAA CC[C@@H](CO)NC(=O)NCc1cc(C)nc(C)n1 252479337 BDGRLOQGJZTPEY-JTQLQIEISA-N 252.318 0.664 0 50 CCAA COCCN1CCC[C@@](O)(CN(C)C(C)C)C1=O 11817237 ZHZWXYJHJKVHHS-CYBMUJFWSA-N 258.362 0.327 0 50 CCAA O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC[C@H]1c1ccco1 668831572 MLYGYODEUCPZAF-FMCLSXCISA-N 293.319 0.356 0 50 CCAA C[C@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@@H]1CN 237659538 ZQIRPZMXDNGBTJ-CMPLNLGQSA-N 273.340 0.929 0 50 CCAA C=CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(C2CC2)C1 1118883101 OECDRHQMUWXPIE-LBPRGKRZSA-N 265.357 0.326 0 50 CCAA COCCO[C@@H](C)c1nnc2n1CC[C@@H](C(=O)OC)C2 1118983948 UYUWKTIOPNKSPY-VHSXEESVSA-N 283.328 0.738 0 50 CCAA CCNc1cc(C)nc(N2CCN(S(C)(=O)=O)CC2)n1 32498035 ONSKPYGCONESOU-UHFFFAOYSA-N 299.400 0.298 0 50 CCAA O=C(O)[C@H]1CN(C(=O)c2cc3c(s2)CCOC3)CCO1 262087563 LENPNXRACXNENH-SECBINFHSA-N 297.332 0.746 0 50 CCAA Cn1nnc(CN(Cc2ccco2)C[C@H]2CCCO2)n1 194443162 ZHHQQZSJGNCIFX-GFCCVEGCSA-N 277.328 0.984 0 50 CCAA C[C@@H]1CC(=O)NCCN1C(=O)COc1ccccc1O 363517638 LQZGKTMMDAPOPD-SNVBAGLBSA-N 278.308 0.508 0 50 CCAA Cc1cc(C(=O)N[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)on1 923204259 OTYTXHCOOSIKLD-UYXSQOIJSA-N 250.254 0.822 0 50 CCAA COc1ncc(CN2CCCC[C@H]2C(=O)O)cn1 824852032 OLACBUVCWWGOKX-JTQLQIEISA-N 251.286 0.924 0 50 CCAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1coc2c1[C@H](O)CCC2 2325779192 NWXYXJKTLKIGLP-PSASIEDQSA-N 297.332 0.690 0 50 CCAA Cn1c(=O)c2c(nc(NC3CCCCC3)n2C)n(C)c1=O 186243 JCMCXUZSHJWZHC-UHFFFAOYSA-N 291.355 0.715 0 50 CCAA COC(=O)c1cc(C)nc(N2C[C@H]3COC[C@@]3(CO)C2)n1 2356139427 XREWXTNCQDXELS-HZMBPMFUSA-N 293.323 0.017 0 50 CCAA CN(CC(=O)O)S(=O)(=O)c1cccc2nsnc12 2928243 QAYIFCHMRDAHGP-UHFFFAOYSA-N 287.322 0.396 0 50 CCAA Cc1cccn2c(CC(=O)N3C[C@@H]4CNC(=O)[C@@H]4C3)cnc12 2356157301 JGLTYSZCWHYGAR-WCQYABFASA-N 298.346 0.390 0 50 CCAA CC(C)OCC(=O)N1CCC(n2cc([C@@H](C)O)nn2)CC1 20210498 WNUXZWVLHPIQOE-LLVKDONJSA-N 296.371 0.920 0 50 CCAA NC(=O)C1(NC(=O)Cc2c[nH]c3ncccc23)CC1 426912166 REFRPWSODMFHGB-UHFFFAOYSA-N 258.281 0.240 0 50 CCAA COCc1ccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)o1 328590080 RSDKOONNTWAHJC-HNNXBMFYSA-N 296.367 0.955 0 50 CCAA CCO[C@H]1COC[C@@H]1NCC(=O)NCc1ccccc1F 65456759 WHNJKCRVJVGIAW-KBPBESRZSA-N 296.342 0.835 0 50 CCAA O=C(N1CC=CC1)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2 65493511 PTHWQRINYISQMI-CZUORRHYSA-N 275.396 0.849 0 50 CCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1nc(C)c[nH]1 67965394 YSKSIMHLWZSLCP-QWRGUYRKSA-N 293.371 0.128 0 50 CCAA CC[C@@H](CNC(=O)Nc1ncn(CC)n1)N1CCOCC1 63868556 ARZPNELBEFYNCM-NSHDSACASA-N 296.375 0.530 0 50 CCAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@H]1C[C@]12CCOC2 332897391 MQWGGHUDWMMTBH-XUJVJEKNSA-N 278.352 0.683 0 50 CCAA CCn1cnnc1CCNC(=O)Cc1cccnc1 218883845 VCXOEUHLQNJVBL-UHFFFAOYSA-N 259.313 0.594 0 50 CCAA COC(=O)N[C@H](C)C(=O)NCCc1ccncc1 219330014 UMWYCRGWMFBJKI-SECBINFHSA-N 251.286 0.485 0 50 CCAA CCCc1cc(CN(C)C(=O)CNC(C)=O)[nH]n1 215018062 CNXZXQBKOUDMQU-UHFFFAOYSA-N 252.318 0.457 0 50 CCAA CCOc1cc(N2C[C@@H](C)[C@H](C(N)=O)C2)ncn1 284507956 DNDPUZYDODMQPL-RKDXNWHRSA-N 250.302 0.433 0 50 CCAA CSCC[C@@H](O)C(=O)N1CCC(c2n[nH]c(C)n2)CC1 215766379 KETUWHRTBDCGRX-LLVKDONJSA-N 298.412 0.933 0 50 CCAA CCONC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C 124498918 WTYKZNQNGZKKMR-GFCCVEGCSA-N 293.302 0.972 0 50 CCAA CN(C)c1cc(-c2ccccc2C(N)=O)nc(N)n1 215718397 PGLBMOWNYXJOCS-UHFFFAOYSA-N 257.297 0.891 0 50 CCAA CCc1nccn1CCCNC(=O)Cc1nonc1C 217775961 UWNMUWOBSQBWTM-UHFFFAOYSA-N 277.328 0.886 0 50 CCAA Cc1cccc(CS(=O)(=O)NC[C@H]2CC(=O)N(C)C2)c1 74863363 DLNRIHGNIVXPMR-CYBMUJFWSA-N 296.392 0.893 0 50 CCAA CC[C@H](C(=O)N1CCC(O)(C(=O)O)CC1)n1cccn1 71751892 CNSTWGRHHGOBLZ-SNVBAGLBSA-N 281.312 0.272 0 50 CCAA Ic1cnn(-c2nc[nH]n2)c1 503600477 LKNRJUZTXTVMNI-UHFFFAOYSA-N 261.026 0.595 0 50 CCAA O=C(Nc1ccccc1)C(=O)N[C@@H]1C[C@@H]2OCC[C@@H]21 223497855 MRHLWAJZFQDIOF-UTUOFQBUSA-N 260.293 0.919 0 50 CCAA CCc1nc(C)sc1CNC(=O)CN(C)CCO 426602444 JZSJNZVCKYJLHL-UHFFFAOYSA-N 271.386 0.554 0 50 CCAA Cc1ccc(NCCCNC(=O)c2cncc(=O)[nH]2)nc1 426615010 CKJTVWTXZWHLQG-UHFFFAOYSA-N 287.323 0.705 0 50 CCAA Cc1nc(C)c(S(=O)(=O)N2CC[C@H](C(=O)O)C2)s1 179071846 IMQQVSVVTTWKPD-QMMMGPOBSA-N 290.366 0.855 0 50 CCAA Cn1c(CSCCn2ccnc2)cc(=O)n(C)c1=O 179079612 JZLSKENVPPBUPI-UHFFFAOYSA-N 280.353 0.214 0 50 CCAA COc1ccc(F)c(F)c1C(=O)NCCN1CCNC1=O 222932484 YQCBDPJLSLOFGR-UHFFFAOYSA-N 299.277 0.728 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN2CCCC[C@H]12 426550450 MVIVWGUSUIRUQE-LPWJVIDDSA-N 296.367 0.297 0 50 CCAA O=C(NCc1nnnn1-c1ccccc1)c1cnco1 221336683 XQSYHYNEGAEEDC-UHFFFAOYSA-N 270.252 0.580 0 50 CCAA Cc1nc(O)c2c(n1)CN(C(=O)COC[C@@H]1CCCO1)C2 426589042 NIVFZRJBAXZFSC-JTQLQIEISA-N 293.323 0.528 0 50 CCAA Cc1n[nH]c(C)c1[C@H](N)C(=O)NCCN1CCCC1 91410137 JBFKNGDUPZUSLH-LBPRGKRZSA-N 265.361 0.238 0 50 CCAA CC(=O)N1CCN(C(=O)c2ncoc2C2CC2)C[C@H](O)C1 97636682 FGCDOSLQPDJPJQ-LLVKDONJSA-N 293.323 0.217 0 50 CCAA CN(CC1(CO)CCOCC1)c1nc(N)nc2[nH]cnc12 96180937 FYGDPIKJEXXTKI-UHFFFAOYSA-N 292.343 0.160 0 50 CCAA Cc1c(C(=O)N[C@H]2CCc3c[nH]nc3C2)cnn1C 334314588 PLCLBSSYDJNTKF-JTQLQIEISA-N 259.313 0.739 0 50 CCAA CCN(C(=O)c1cc(C(C)C)nn1C)[C@H]1COC[C@@H]1O 91365061 VMKMMEJLDAGBGR-STQMWFEESA-N 281.356 0.765 0 50 CCAA Cn1nccc1CCC(=O)N1CCCC[C@H]1CN 97272383 QQCQHIDDJBTQQM-LBPRGKRZSA-N 250.346 0.693 0 50 CCAA Cc1cc(N2CCC([C@@H](O)C(=O)NC3CC3)CC2)ncn1 299750383 NHXHTFQJDQKEKG-CQSZACIVSA-N 290.367 0.641 0 50 CCAA Cc1nc(C(=O)NC2(C(N)=O)CCCCC2)c[nH]1 270095068 NFSTXUBNFVHUAH-UHFFFAOYSA-N 250.302 0.636 0 50 CCAA Cc1ccc([C@H](CCO)NC(=O)Cn2ccnn2)cc1 299764204 YATDFEHUCWVZMP-ZDUSSCGKSA-N 274.324 0.826 0 50 CCAA CN(C)C[C@@H]1COCCN(C(=O)C2CCNCC2)C1 823690188 MGKDGZLTKJOTPQ-LBPRGKRZSA-N 269.389 0.023 0 50 CCAA COCCCN1CC[C@@H](CNC(=O)CC2CCNCC2)C1 824390227 XFUCWQYKDWRNLH-HNNXBMFYSA-N 297.443 0.851 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)C(C)C 823350075 LCACNTLPAVUQKW-UWVGGRQHSA-N 250.364 0.033 0 50 CCAA Cc1ccc(C(=O)NCCCN2CCC[C@H](O)C2)c(O)n1 828627463 YJAKGJYKSBJKIS-LBPRGKRZSA-N 293.367 0.672 0 50 CCAA COCCN1C[C@H](CNC(=O)CSC(C)C)CC1=O 584885780 WXIQSHDYYOMTCC-NSHDSACASA-N 288.413 0.739 0 50 CCAA CCS(=O)(=O)NCCCNc1cccc2nonc12 585139188 OGDYSJXCJIEQHR-UHFFFAOYSA-N 284.341 0.964 0 50 CCAA C[C@@H](NC(=O)c1cncn1C)c1nnc(N)s1 584889543 URKVHFYKSFWUMO-RXMQYKEDSA-N 252.303 0.345 0 50 CCAA CC(C)(CN1CCOCC1)CN1CC[C@@H](CO)C1 670437351 OOVHHPJASRNGSA-CYBMUJFWSA-N 256.390 0.659 0 50 CCAA C=CC(=O)N(C)CC(=O)N1CCOCC(F)(F)C1 861744540 XPDUNMNQPKCXCP-UHFFFAOYSA-N 262.256 0.125 0 50 CCAA Cn1nc(C(=O)NC[C@H]2CCCC[C@@H]2O)c2c1CCOC2 1875290655 VQSPUQAKNZHOGM-MFKMUULPSA-N 293.367 0.774 0 50 CCAA CN(C)C(=O)CNC(=O)CSc1ccncc1 24377509 YIZCTVBHDMIZEW-UHFFFAOYSA-N 253.327 0.378 0 50 CCAA O=C(N[C@]12CCC[C@H]1NCC2)C1=C2CCN=C2NC=C1 1775599685 CALHWWHNMNBTOR-DOMZBBRYSA-N 272.352 0.603 0 50 CCAA CNC(=O)[C@H]1C[C@@H](N(C)C)CN(C(=O)OC(C)(C)C)C1 1775998356 AICAQRTWXLTMAR-WDEREUQCSA-N 285.388 0.920 0 50 CCAA CC(C)(C)OC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 82345794 ALALCZQCEOOJNX-QMMMGPOBSA-N 264.347 0.545 0 50 CCAA in-vitro CCC1(CNS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 583651977 WNULUVQFEMDNQC-LLVKDONJSA-N 286.397 0.859 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)NCCc1nc(=O)o[nH]1 280040695 GHSYJAWCVFZCOV-RKDXNWHRSA-N 269.301 0.227 0 50 CCAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@@H](O)[C@H](C)O)C1 585117320 YINZXNCJXOKTGB-IGQOVBAYSA-N 286.416 0.745 0 50 CCAA O=C(NS(=O)(=O)c1cccs1)[C@@H]1C[C@]12CCOC2 408476127 JSBPQZPAOKGPHZ-KWQFWETISA-N 287.362 0.980 0 50 CCAA O=C(NCc1ccon1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 223603147 DOWXGYHIBZTAJH-MPKXCIJOSA-N 262.265 0.814 0 50 CCAA C[C@H](NC(=O)[C@@H]1CCCc2cccnc21)c1nnnn1C 225509282 BZKYIXIEPBSAAD-GXSJLCMTSA-N 286.339 0.902 0 50 CCAA CN(C)C(=O)C[C@]1(O)CCCN(c2cnccn2)C1 643720040 SNGZXWSDOAPTKZ-CYBMUJFWSA-N 264.329 0.286 0 50 CCAA CNC(=O)[C@]1(COC)CCCN1Cc1ncccn1 643830114 YLMKBTKNUXAPQF-CYBMUJFWSA-N 264.329 0.204 0 50 CCAA O=S(=O)(NCc1cccs1)N1CCOCC1 198944777 XCGCYNFVVQSEKC-UHFFFAOYSA-N 262.356 0.415 0 50 CCAA CC(C)[C@@H](O)CN1CCC[C@]2(CCS(=O)(=O)C2)C1 660734102 IFRWLENUUZITDU-STQMWFEESA-N 275.414 0.904 0 50 CCAA Cc1cc(C(F)(F)F)c(N2CCNC(=O)C2)nn1 750454728 ZOQYLMLZTXVTLO-UHFFFAOYSA-N 260.219 0.740 0 50 CCAA Cc1ccc(Cn2cnc([C@H]3COCCN3)n2)c(C)n1 579343367 URWOXBGHYAQDMD-CYBMUJFWSA-N 273.340 0.999 0 50 CCAA Cc1ncc(CN(CCO)C(=O)CCCn2cccn2)[nH]1 1704324605 BDCICKVVWWYUMG-UHFFFAOYSA-N 291.355 0.716 0 50 CCAA CN1CCC[C@]2(CO)CCN(Cc3ncc[nH]3)C[C@@H]12 1704339217 FXHIHJAJJHWSBE-TZMCWYRMSA-N 264.373 0.688 0 50 CCAA COC(=O)COc1ccccc1/C=C1/NC(=O)NC1=O 858880 GQDLKCOPJUBLPM-RMKNXTFCSA-N 276.248 0.419 0 50 CCAA CC(C)N(C)S(=O)(=O)N1CCOCC12CCC2 123741483 VMWFICDVCXYARR-UHFFFAOYSA-N 262.375 0.826 0 50 CCAA O=C([C@H]1CCc2nccn2C1)N1CC2(CCOC2)C1 1615566441 YKEDPSANEKNAAY-NSHDSACASA-N 261.325 0.694 0 50 CCAA O=C1CO[C@@]2(CCN(c3ccc(F)cn3)C2)CN1 1772813050 UMWIZTJLVVCRRO-LBPRGKRZSA-N 251.261 0.316 0 50 CCAA NC[C@H](C(=O)Nc1ccn([C@H]2CCNC2)n1)c1ccccc1 328617698 DACIBSUPVXHXLT-KBPBESRZSA-N 299.378 1.099 0 50 CCAA O=C(CCn1cccn1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644226963 GJNQOUJIVVQVRX-MCIONIFRSA-N 292.383 0.377 0 50 CCAA C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1cccn1C 241588336 PCBRPCYPVJXVPI-WCQYABFASA-N 285.413 0.785 0 50 CCAA CCN(C)C(=O)[C@H](C)NC(=O)Cc1ccc2c(c1)OCO2 252479867 BOGNUCTXVHVURS-JTQLQIEISA-N 292.335 0.941 0 50 CCAA COCC[C@@H]1COCCN1c1nc(O)c2cnn(C)c2n1 573857599 AATFJKDKONKNFA-SECBINFHSA-N 293.327 0.311 0 50 CCAA Cc1nc(N2CCN(Cc3noc(C)n3)CC2)n[nH]1 931624308 NJTAGOLHYIMGOU-UHFFFAOYSA-N 263.305 0.127 0 50 CCAA CN(CC(=O)Nc1cc(F)cc(F)c1)C[C@@H](O)CN 312087490 OFGJHMJMUGLNOK-NSHDSACASA-N 273.283 0.155 0 50 CCAA NCC[C@@H]1CN(Cc2nc(C(F)(F)F)no2)CCO1 534588846 WDMHUYWXHNWUSU-SSDOTTSWSA-N 280.250 0.638 0 50 CCAA CC1(C)CN(C[C@H](O)Cn2cccn2)[C@@H]2COC[C@@H]21 333108326 RNTSBKZPNBSCMZ-RWMBFGLXSA-N 265.357 0.601 0 50 CCAA CN[C@@H](C)C(=O)NS(=O)(=O)c1ccc(C)cc1C 2325778034 YJOZNTWQDZNMNN-JTQLQIEISA-N 270.354 0.716 0 50 CCAA O=C(c1ccn2ccsc12)N1CC(c2nn[nH]n2)C1 2325802142 LCXJSVUOAHRBDR-UHFFFAOYSA-N 274.309 0.754 0 50 CCAA CN1C(=O)CCC[C@H]1C(=O)NOCc1cccnc1 907090998 NTBLJDFTFSHCGX-NSHDSACASA-N 263.297 0.640 0 50 CCAA Cc1nc(N2C[C@H]3COC[C@@]3(CO)C2)nc(C)c1C 2356146748 STYNGMBIPZHSMP-JSGCOSHPSA-N 263.341 0.847 0 50 CCAA CCCCNC(=O)C(=O)NC[C@H]1COc2ccccc2O1 4844682 ZGGWKZMGOJIAEK-NSHDSACASA-N 292.335 0.859 0 50 CCAA O=C(NC[C@H]1CCN(C2CC2)C1)N1CCN2CCC[C@@H]2C1 247372757 FHDWJOWTKBNHJS-UKRRQHHQSA-N 292.427 0.960 0 50 CCAA O=C(CN1CCCC1=O)NCCc1cscn1 110805911 GLMVTGKYGNBWNQ-UHFFFAOYSA-N 253.327 0.424 0 50 CCAA Cc1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1F 110348088 KXXMZFKRMNSDFD-JTQLQIEISA-N 250.273 0.886 0 50 CCAA CCC(=O)N1CC[C@@H](NC(=O)c2cc(COC)on2)C1 136301979 OWHCWCLTUNILGS-SECBINFHSA-N 281.312 0.562 0 50 CCAA C[C@@H](COC1CCCC1)CS(=O)(=O)N1CC(C)(O)C1 328779384 UCAZPVFGFRUFDD-NSHDSACASA-N 291.413 0.978 0 50 CCAA C=Cn1cc(C(=O)N2[C@H]3CC[C@@H]2CC(=O)NC3)cn1 65427906 ZNHJMMJTGVPIFL-MNOVXSKESA-N 260.297 0.477 0 50 CCAA C[C@@H]1C[C@H]1c1cc(NC(=O)[C@@H]2CN(C)CCO2)[nH]n1 124862016 HIZBZHIUPQRQGR-KKZNHRDASA-N 264.329 0.802 0 50 CCAA Cc1cnn(CC(=O)NC[C@@H](C(=O)O)C2CCOCC2)c1 864274923 RZXWEUDGIJGBFN-GFCCVEGCSA-N 295.339 0.435 0 50 CCAA Cn1nccc1CCNC(=O)[C@H](O)c1ccc(F)cc1 215611942 OQUNWHLQVZYXTF-CYBMUJFWSA-N 277.299 0.952 0 50 CCAA CCn1cnnc1CN(C)C(=O)COC[C@H]1CCCCO1 218937535 NKVVUHDEPZWJGH-GFCCVEGCSA-N 296.371 0.842 0 50 CCAA O=C(O)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 364183230 DXAZMKCBUBZENY-GFCCVEGCSA-N 277.324 0.494 0 50 CCAA C[C@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)C[C@H](C)O1 33359649 SUKRFZFACFBMOK-UWVGGRQHSA-N 298.364 0.583 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(C)nc(C)n1 219530762 FREYAHWBPWOFKB-UNJBNNCHSA-N 291.351 0.873 0 50 CCAA Cc1nc(NCc2cc(=O)[nH]cn2)c2c(C)nn(C)c2n1 72423500 KSIFIFFWTPHROF-UHFFFAOYSA-N 285.311 0.676 0 50 CCAA CC(=O)NCc1cc2n(n1)CCN(Cc1cc(C)no1)C2 82120335 IYLVMUGDZDDYGH-UHFFFAOYSA-N 289.339 0.831 0 50 CCAA CC(C)n1cncc1CN1CCN2CCN(C)C[C@H]2C1 225326025 HPOTUKFZUDADFC-HNNXBMFYSA-N 277.416 0.896 0 50 CCAA CC(=O)OC[C@@H]1O[C@H](F)[C@H](OC(C)=O)[C@H]1OC(C)=O 228896403 VSPHMBCVTPKVTI-MMWGEVLESA-N 278.232 0.107 0 50 CCAA C[C@H]1CCCCN1C1CN(C(=O)c2cncc(=O)[nH]2)C1 426599822 XWSWOSPCFWKTBU-JTQLQIEISA-N 276.340 0.469 0 50 CCAA Cn1ncc(Cl)c1C(=O)NC[C@@H](CO)c1cccnc1 614879023 GTIHNUHLUVPSLS-JTQLQIEISA-N 294.742 0.974 0 50 CCAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCNC[C@@H]1C 178495274 BXPYGDYVZCVJOW-VIFPVBQESA-N 289.339 0.817 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)C(C)(C)NC(C)=O 426371039 NFRQHIVVOUUXJX-VIFPVBQESA-N 297.359 0.016 0 50 CCAA CCc1cnc(NC[C@H]2CC(=O)N(CCOC)C2)nc1 95353352 GXKSFZNDYPNWGH-GFCCVEGCSA-N 278.356 0.946 0 50 CCAA COCCN1C[C@H](C(=O)NCC2(COC)CCC2)CC1=O 337182795 NHHVSGAVSURIFJ-GFCCVEGCSA-N 298.383 0.414 0 50 CCAA CN(CCCc1cnn(C)c1)c1ncncc1C(=O)O 95370402 VBOYMUYLTGLOLM-UHFFFAOYSA-N 275.312 0.977 0 50 CCAA O=C(O)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C2CC2)CCO1 299743563 LJERFJQCMBQKRF-VWYCJHECSA-N 253.298 0.735 0 50 CCAA CC(C)N1C[C@@H](NS(=O)(=O)[C@H]2CCOC2)[C@H](C)C1 299754155 HOZIVPJBZDRDDL-GRYCIOLGSA-N 276.402 0.423 0 50 CCAA CCCNC(=O)[C@H](C)N1CCc2c(c(CO)nn2CC)C1 252496794 PRUSLXSJIQWDOQ-NSHDSACASA-N 294.399 0.668 0 50 CCAA CCOC(=O)c1nnc(SCc2nn[nH]n2)s1 447335396 OPZVAEPZZDIZEC-UHFFFAOYSA-N 272.315 0.520 0 50 CCAA COCC1(CNC(=O)Cc2c(O)n[nH]c2C)CC1 534642184 BEUFHXJCNZPSJM-UHFFFAOYSA-N 253.302 0.509 0 50 CCAA O=C(NCc1cnc2cnccn12)[C@@H]1CCCNC1 534649332 SBVAHOCJILXCLC-SNVBAGLBSA-N 259.313 0.345 0 50 CCAA CN(C)CCN1CCN([C@@H]2CCSC2)CCC1=O 823698140 MQFILHHSIDBQRJ-GFCCVEGCSA-N 271.430 0.588 0 50 CCAA CCOC[C@@H](O)CNC(=O)CCCN1CCCCC1=O 823315646 UUCYQQPNSDQWNG-LBPRGKRZSA-N 286.372 0.293 0 50 CCAA O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cccc(O)n1 584895878 DBYPCVPVTXNWKB-SECBINFHSA-N 258.281 0.798 0 50 CCAA COCCN(C)CC(=O)N(C)Cc1c[nH]nc1C 670444650 VXUWEOMYCCVPPZ-UHFFFAOYSA-N 254.334 0.255 0 50 CCAA CCn1ccc(C(=O)NCc2csc(N)n2)cc1=O 670449227 PXGOMVJFFPNJGI-UHFFFAOYSA-N 278.337 0.837 0 50 CCAA CC1(CNC(=O)N2C[C@H](N)C3(CCC3)C2)COC1 1553450241 QDNPQDDXGBYWRG-JTQLQIEISA-N 253.346 0.546 0 50 CCAA C=CC(=O)NCCC(=O)Nc1cncc(N(C)C)c1 869956430 PLTBFFLQMXMDHQ-UHFFFAOYSA-N 262.313 0.778 0 50 CCAA CC(=O)C1CN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 952992840 KFHNHBZFZAXIPR-NSHDSACASA-N 266.341 0.538 0 50 CCAA CCNC(=O)N1Cc2cccnc2N2C[C@H](O)C[C@@H]2C1 1875268225 RFNZEBJNIMXPSO-VXGBXAGGSA-N 276.340 0.566 0 50 CCAA Cc1nnc(Cn2cc(Cn3cc(Cl)cn3)nn2)o1 1875266995 FPLKBRZZGQICRP-UHFFFAOYSA-N 279.691 0.916 0 50 CCAA CN(C)C/C=C/C(=O)NCCN1C[C@@H]2CCCCN2C1=O 1875376663 FGHXPOBXUDQYHW-IYNGYCSASA-N 294.399 0.511 0 50 CCAA Cc1occc1CNC[C@]1(CO)COC[C@@H](C)N1C 1875399313 VUZCWTMDJSFXOB-RISCZKNCSA-N 268.357 0.759 0 50 CCAA O=C(NN1CCCNC1=O)c1cnc(C2CC2)o1 879409143 QHZFFULXSJEDSR-UHFFFAOYSA-N 250.258 0.612 0 50 CCAA CCc1noc(CN(C)c2nc(N)nc3[nH]cnc23)n1 1506413881 ADSGLCVKVMYACH-UHFFFAOYSA-N 274.288 0.517 0 50 CCAA CCOCCN1CCC(CNC(=O)c2ccnn2C)CC1 952984606 PLEGDDBIKDWGPU-UHFFFAOYSA-N 294.399 0.898 0 50 CCAA CC(C)(C)OC(=O)N1CC2(C1)OC1(CO)CC2(C(=O)O)C1 1772771474 TXQSLBUQPJWKQL-UHFFFAOYSA-N 299.323 0.602 0 50 CCAA CC[C@H]1CN(C(=O)Cc2ccncc2)CCN1C[C@H](C)O 272410997 OPLBWFJPBFFBEP-ZFWWWQNUSA-N 291.395 0.928 0 50 CCAA C[C@@H](NC(=O)Nc1ccc(F)cn1)c1nnc(O)n1C 585141322 SSVBCMMFYKSSPB-ZCFIWIBFSA-N 280.263 0.938 0 50 CCAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1nccn1C)C2 1073384974 KDAXSAZJDVNFHV-STQMWFEESA-N 291.399 0.998 0 50 CCAA CSCC[C@H](NC(=O)c1cnc2ccccn12)C(N)=O 600256803 GFHDEBOIDQSEAM-VIFPVBQESA-N 292.364 0.671 0 50 CCAA Cn1c(N2CCc3ccccc3C2)cc(=O)n(C)c1=O 408518470 JNPBAEZQDKKVFK-UHFFFAOYSA-N 271.320 0.647 0 50 CCAA C[C@@H](c1nnnn1C)S(=O)(=O)c1cccc(F)c1 188939964 AHKUYSKOXHYHFM-ZETCQYMHSA-N 270.289 0.884 0 50 CCAA COC[C@]1(C(N)=O)CCCN1Cc1conc1C 643763771 HHOYPAZFPJXVHV-LBPRGKRZSA-N 253.302 0.449 0 50 CCAA O=C(N[C@@]1(C(=O)O)CCc2ccccc21)[C@H]1COCCO1 675990865 LQGSIJZTYWZJTD-DOMZBBRYSA-N 291.303 0.444 0 50 CCAA CCNc1ccnc(N2CCN(CC)C(=O)[C@@H]2C)n1 1529192211 RWLXSYLFWTXXCI-JTQLQIEISA-N 263.345 0.965 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]2O)on1 1529190187 GCHGSZPFMAXXGN-MFKMUULPSA-N 288.307 0.449 0 50 CCAA CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 16363976 WZMCMHCGUPHCOH-UHFFFAOYSA-N 269.326 0.127 0 50 CCAA NCc1cccc(C(=O)N(CCO)Cc2ncc[nH]2)c1 1704309539 XBTOMMFRBACATB-UHFFFAOYSA-N 274.324 0.503 0 50 CCAA COC(=O)c1ccc(S(=O)(=O)NCCN)cc1Cl 237152914 BTVUXEMYONGWOE-UHFFFAOYSA-N 292.744 0.364 0 50 CCAA CC(C)(C)CN1C[C@H](NC(=O)C2=NNC(=O)CC2)CC1=O 12072727 BKSUXEOIAOVNHA-SECBINFHSA-N 294.355 0.016 0 50 CCAA Cn1c(=O)[nH]c(=O)c2c1nc1n2CCN1c1ccccc1O 12648350 OOKOWVSVINNGCM-UHFFFAOYSA-N 299.290 0.281 0 50 CCAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCCCN1CCOCC1 2772394 LDDFOWFYSOXOAS-STQMWFEESA-N 298.383 0.716 0 50 CCAA CN(C[C@H]1CCn2ccnc2C1)C(=O)Nc1ccn(C)n1 328640591 XNIXROPDDQSVQV-NSHDSACASA-N 288.355 1.343 0 50 CCAA O=C(NCc1cccc(O)c1)N1CCCS(=O)(=O)CC1 332339236 RWVHZBGDKSJCRI-UHFFFAOYSA-N 298.364 0.722 0 50 CCAA NC(=O)[C@@H]1CN(c2ncnc3cc(Cl)ccc23)CCO1 261382851 PGXVUHPVKDLKDZ-NSHDSACASA-N 292.726 0.974 0 50 CCAA CCn1ccnc1CN1C[C@H]2COC[C@@H](C1)C(=O)N2C 1704339851 NQRYSHMEVKIBFN-NEPJUHHUSA-N 278.356 0.192 0 50 CCAA COc1cncc(N2CCN(C[C@@H]3CNC(=O)C3)CC2)c1 824842847 OGQOXRYQHPEFRM-LBPRGKRZSA-N 290.367 0.348 0 50 CCAA O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 225457164 KPFQUQPBVAIASO-CHWFTXMASA-N 253.298 0.877 0 50 CCAA CCn1ccnc1CN(C)CCN1CCCC1=O 112703729 JWMLRBXFVOGTAY-UHFFFAOYSA-N 250.346 0.957 0 50 CCAA O=C([C@@H]1COCCO1)N1C[C@H]2CCCC[C@@]2(C(=O)O)C1 621614901 XYGOHJYXFFUDRN-UHIISALHSA-N 283.324 0.505 0 50 CCAA O=C(C[C@@]1(O)CCCNC1)NCC1CCOCC1 912442356 KLTNJXQBNPXUFZ-ZDUSSCGKSA-N 256.346 0.034 0 50 CCAA Cc1ncnc(N2CCC(O)(CN(C)C)CC2)c1C 894953714 IJXBJEFTGYBLQG-UHFFFAOYSA-N 264.373 0.986 0 50 CCAA CN(C)c1cc2c(nn1)CCN(Cc1cnsn1)C2 952887672 VCVMFYLYHXADDU-UHFFFAOYSA-N 276.369 0.952 0 50 CCAA CCn1cnc(Cl)c1CNC[C@H]1CN(C)CCO1 952964616 URIJNZUZNZXYFW-JTQLQIEISA-N 272.780 0.977 0 50 CCAA C[C@@H]1CN(C2CC2)CCN1C(=O)c1c[nH]c(=O)cn1 2100480399 ITIKHWAEXVCUAO-SECBINFHSA-N 262.313 0.079 0 50 CCAA COC[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 31001 GYDSXWAKJDHRJJ-VIFPVBQESA-N 286.353 0.958 0 50 CCAA O=C(Nn1cnnc1)c1cc2ccccc2oc1=O 4017659 RHWXIEKDJXUZJZ-UHFFFAOYSA-N 256.221 0.768 0 50 CCAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)COC)C1 10302689 CFCSLLVAEIMVGF-QWRGUYRKSA-N 292.401 0.199 0 50 CCAA CN1CCO[C@H]2CN(c3nnc(C(F)F)o3)C[C@@H]21 330355278 QLYJHNBMKWLXTJ-BQBZGAKWSA-N 260.244 0.526 0 50 CCAA CCNC(=O)C1CN(C(=O)[C@@H](C)N(C)CC(F)(F)F)C1 332056262 OQWMBPVFVKZEEJ-MRVPVSSYSA-N 295.305 0.464 0 50 CCAA COc1ccc(C(C)=O)cc1CN1C[C@H](O)C[C@H]1C(N)=O 252467404 IEVRZAMQZFBENZ-OLZOCXBDSA-N 292.335 0.318 0 50 CCAA COc1cc2c(cc1CN(C)[C@H]1COC[C@@H]1O)OCO2 216424355 ROTNBEUMBFNQAG-QWRGUYRKSA-N 281.308 0.615 0 50 CCAA CC(C)c1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)n[nH]1 236600714 WOAPUZIFASUXIT-VIFPVBQESA-N 281.312 0.849 0 50 CCAA O=C1CSCN1CC(=O)N1CCOC[C@H]1C1CC1 128626225 JAYXGCFDDNKUIA-JTQLQIEISA-N 270.354 0.157 0 50 CCAA C[C@@H](COCC(F)(F)F)NC(=O)[C@H]1CCNC1 239882238 DAQJUKJHJRXUJL-YUMQZZPRSA-N 254.252 0.680 0 50 CCAA CCCc1nc(N2CCNC(=O)[C@H]2C)c2cnn(C)c2n1 72171376 ILZFHDMHEXIMPY-SECBINFHSA-N 288.355 0.641 0 50 CCAA C[C@H](C(=O)N(C)CC(=O)O)N1CCc2ccccc2C1 153094905 LXJZSJIMTUEOCF-LLVKDONJSA-N 276.336 0.976 0 50 CCAA CNC(=O)CNC(=O)c1cnn(CC(C)C)c1C1CC1 131920738 BNIZLTYZPBYURT-UHFFFAOYSA-N 278.356 0.892 0 50 CCAA C[C@@H]1CN(C(=O)N=c2cccn[nH]2)CC2(CCOCC2)O1 364046154 BCLVPGRXMIZNTO-LLVKDONJSA-N 292.339 0.700 0 50 CCAA Cc1csc(CN2CCN([C@H]3CCNC3)CC2)n1 244718847 LRYLAUIIDPFHGQ-LBPRGKRZSA-N 266.414 0.931 0 50 CCAA O=C([C@@H]1C[C@@H](F)CN1Cc1cnc[nH]1)N1CCOCC1 344500756 AJSHCBXLFOMKDB-PWSUYJOCSA-N 282.319 0.181 0 50 CCAA O=C(O)[C@@H]1CN(CC2CC2)CCN(C(=O)c2cn[nH]c2)C1 219625161 NBHHFSZMPGQCAZ-GFCCVEGCSA-N 292.339 0.278 0 50 CCAA CCc1nc(NC(=O)NCc2noc(COC)n2)nn1C 48428189 UWKXUABMESTMOF-UHFFFAOYSA-N 295.303 0.229 0 50 CCAA COc1cccc(SCC(=O)NCc2n[nH]c(=O)[nH]2)c1 220231772 JDJGTYAKIMZDCL-UHFFFAOYSA-N 294.336 0.515 0 50 CCAA CCc1nccn1CCNC(=O)CN1CCCC1 223500588 LOWHNRHFGBWRJN-UHFFFAOYSA-N 250.346 0.658 0 50 CCAA C[C@@H](C(=O)NCCn1ccnn1)N1CCCCC1 426399372 IFHAXNOUXGFCGB-NSHDSACASA-N 251.334 0.269 0 50 CCAA CCc1noc(CNC(=O)N2CC[C@@H](NC(C)=O)C2)n1 426634188 MBFWDXDISOWESI-SECBINFHSA-N 281.316 0.052 0 50 CCAA CC(C)n1cncc1CN1CCN2CCN(C)C[C@@H]2C1 97155813 HPOTUKFZUDADFC-OAHLLOKOSA-N 277.416 0.896 0 50 CCAA COCC(=O)N1CC[C@@H](Cc2ccc(=O)[nH]c2)C1 91754986 OBSACDSAHPAKRI-NSHDSACASA-N 250.298 0.412 0 50 CCAA CC(C)c1nc(CN2C[C@@H]3CN(C)C[C@]3(C(=O)O)C2)no1 96139324 BRRLAWSSCDQFJS-HZMBPMFUSA-N 294.355 0.641 0 50 CCAA c1nc(NCCn2cnnc2)cc([C@H]2CCOC2)n1 426470478 BJCVRYXVSLNZGP-JTQLQIEISA-N 260.301 0.684 0 50 CCAA O=C(CN1CCOC1=O)NC[C@H]1COc2ccccc2C1 91987985 CKLKQHTUWQONPZ-NSHDSACASA-N 290.319 0.806 0 50 CCAA COc1ccc(C(=O)N[C@H](C)CO[C@H]2CCOC2)nn1 268027858 YDIONBNSVCLRKP-ZJUUUORDSA-N 281.312 0.409 0 50 CCAA O=C(O)[C@H]1C[C@@H]1C(=O)NCCc1ccc2c(c1)OCO2 299753312 XTNGUVGYAIOOHC-UWVGGRQHSA-N 277.276 0.795 0 50 CCAA Cc1cc(O)nc(CNC(=O)COC[C@H]2CCCCO2)n1 253536474 GHEXZLLKJVEKPQ-LLVKDONJSA-N 295.339 0.693 0 50 CCAA O=C(NCCN1CCC(CO)CC1)[C@H]1CC12CCNCC2 534578163 LLQKHNNBKPOHRA-CQSZACIVSA-N 295.427 0.197 0 50 CCAA COc1ccnc(N2CCN(Cc3ncc(C)[nH]3)CC2)n1 628131041 PSAYGYISUOMFRM-UHFFFAOYSA-N 288.355 0.839 0 50 CCAA CCc1n[nH]c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1C 299756614 FSKCUUWWJIBTBF-MBTKJCJQSA-N 263.297 0.683 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1ccncc1Cl 290564140 XJFWISSJTBGAOG-UWVGGRQHSA-N 256.689 0.879 0 50 CCAA CCn1nc(CO)c2c1CCN(C[C@@H]1CCOC1)C2 299780600 SWKFHUBDJAYZSY-NSHDSACASA-N 265.357 0.790 0 50 CCAA O=C([C@H]1C=CCN1)N1CCOc2ccc(CO)cc2C1 828827016 BVUGWXBGCLKAOH-CYBMUJFWSA-N 274.320 0.428 0 50 CCAA Cc1ncncc1C(=O)NCCN=c1cc[nH]cc1C 825253627 PPXAMSXBTRFUPK-UHFFFAOYSA-N 271.324 0.752 0 50 CCAA CCn1nc(C)c(Cn2cnc3cnn(CC)c3c2=O)n1 865371725 DKGKIIXTTAODOL-UHFFFAOYSA-N 287.327 0.581 0 50 CCAA O=C1C[C@H](CNC(=O)[C@H]2CC[C@@H](O)CC2)CN1C1CC1 584885663 VCFDMTXBSVVBJP-WZRBSPASSA-N 280.368 0.665 0 50 CCAA CNC(=O)C[C@@H]1CCN(C(=O)c2n[nH]c(C)c2Cl)C1 584895744 AXAKEFGGVYMXKV-QMMMGPOBSA-N 284.747 0.970 0 50 CCAA Cc1c[nH]c(C(=O)N(C)C[C@@H](C)N2CCOCC2)n1 584904143 QPWCHZNUUXXFGH-LLVKDONJSA-N 266.345 0.511 0 50 CCAA Cc1cccc(=O)n1CCC(=O)N[C@H](C)c1ncnn1C 670472074 XICHPVIATPGKPM-LLVKDONJSA-N 289.339 0.553 0 50 CCAA Cn1c(O)nnc1CCNC(=O)[C@H](O)C1CCCCC1 584901585 NPFDHSRSPJXRLD-LLVKDONJSA-N 282.344 0.121 0 50 CCAA COc1nc(=N)[nH]c2c1cnn2CC[C@H]1CCOC1 1875281293 ZZQPCVCHZGIHAN-QMMMGPOBSA-N 263.301 0.674 0 50 CCAA Cc1noc(C)c1CCCNC(=O)C1=NNC(=O)C1 1875264804 HWRUWJVDIXZAKM-UHFFFAOYSA-N 264.285 0.216 0 50 CCAA CN(C)C(=O)C[C@@H]1CN(c2ncnn3cccc23)C[C@H]1O 1875398512 UACUJILWNYOHPH-ZYHUDNBSSA-N 289.339 0.005 0 50 CCAA NC(=O)c1ccnc(NCCN2CCC[C@@H](CO)C2)c1 952871966 FEXRMYXPKTXHLF-LLVKDONJSA-N 278.356 0.297 0 50 CCAA C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1[nH]nnc1=N 952979525 NJLCUOZTSYRNTN-QMMMGPOBSA-N 294.746 0.959 0 50 CCAA Cc1csc(C(=O)N[C@](C)(Cn2cccn2)C(N)=O)c1 889642556 TUNRNXAPDRVUNC-CYBMUJFWSA-N 292.364 0.927 0 50 CCAA Cn1ccc(C(=O)N2CC[C@@H](c3cc(O)nc(=N)[nH]3)C2)c1 630723907 QYYVATRYARRAAE-SECBINFHSA-N 287.323 0.563 0 50 CCAA Cc1nccc(N2CCN(c3c(N)c(C)nn3C)CC2)n1 276013127 JCWFCTVDHSASHG-UHFFFAOYSA-N 287.371 0.736 0 50 CCAA CN1CC[C@H](NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1=O 517192279 HIKLRUJKGHSWLN-JTQLQIEISA-N 287.323 0.376 0 50 CCAA Cc1nc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)n(C)n1 225395177 BWLBQFFKRMPMQA-QMMMGPOBSA-N 291.311 0.151 0 50 CCAA CC(C)[C@@H]1OCC[C@@H]1C(=O)NCCNC(=O)N(C)C 225494095 KICNXCYHQUCNMF-QWRGUYRKSA-N 271.361 0.435 0 50 CCAA CCOC1CC(C(=O)N=c2ccn([C@@H]3CCNC3)[nH]2)C1 638177626 DBSXTAVZVBYANJ-MOENNCHZSA-N 278.356 0.593 0 50 CCAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2nccnc2N)cn1 190027564 UKZHELZELMHBMR-GXSJLCMTSA-N 288.311 0.052 0 50 CCAA C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)C[C@@H]1CCOC1 650232551 COYMAJUWXSNXBT-OPRDCNLKSA-N 277.342 0.290 0 50 CCAA Cn1nnc2cc(C(=O)N3CC[C@@]4(CCNC4)C3)cnc21 574517022 ZYWKXCCESUKPHN-CQSZACIVSA-N 286.339 0.189 0 50 CCAA Cc1nn2c(=O)/c(=C/c3ccc(F)cc3)sc2nc1=O 199703 NKHHRBILOYKMRQ-POHAHGRESA-N 289.291 0.506 0 50 CCAA CO[C@@H]1CN(S(=O)(=O)c2ccccc2F)C[C@H]1OC 234915102 ZSBYGIHSLQRFLQ-GHMZBOCLSA-N 289.328 0.860 0 50 CCAA CCn1ncnc1CN(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704345214 XHPFOYYVZKKREO-GRYCIOLGSA-N 277.372 0.645 0 50 CCAA C[C@@](O)(CNc1ncnc2ccsc12)C(=O)O 263543381 FGXOQVAIBLUQMR-SNVBAGLBSA-N 253.283 0.939 0 50 CCAA CCOC(=O)c1coc(N2CC3(CNC(=O)N3C)C2)n1 1857693753 KYKCWKRDEYBPKQ-UHFFFAOYSA-N 280.284 0.065 0 50 CCAA O=C1C[C@H]2[C@H](CCN2C(=O)[C@H]2CC[C@@H](O)CC2)N1C1CC1 1857690979 XHLNGPOTAWIFOM-GHYVTOPFSA-N 292.379 0.902 0 50 CCAA C[C@@H]1CN(C(=O)NCC(=O)N2CCOCC2)CC(C)(C)O1 408119483 JMENUCWBXWSOHF-LLVKDONJSA-N 299.371 0.054 0 50 CCAA CN(C(=O)N1CC[C@@H]2OCC(=O)N[C@@H]2C1)C1CCCC1 242047800 VQFNECXNFWMELW-NEPJUHHUSA-N 281.356 0.570 0 50 CCAA O=C(Cc1ccc(-n2cnnc2)cc1)Nc1nc[nH]n1 1654201059 SSKJEULTALLBIG-UHFFFAOYSA-N 269.268 0.567 0 50 CCAA CCn1ccnc1CN1C[C@H]2COC[C@@H]1CN(C)C2 1704324598 AVPHTCJFHHYYQF-STQMWFEESA-N 264.373 0.665 0 50 CCAA Nc1cc(-c2noc(CCn3cccn3)n2)ncn1 820965086 NEBAIXNJRMYQFF-UHFFFAOYSA-N 257.257 0.548 0 50 CCAA C[C@H]1C[C@H](NC(=O)c2ccnc(CN)c2)CCN1C 130435212 BYHAEYKWLAHVLA-CMPLNLGQSA-N 262.357 0.753 0 50 CCAA Cn1ncc2c1CCC[C@@H]2NC(=O)C1(C(=O)O)CC1 262232198 NFTUQFNVXMZIMD-VIFPVBQESA-N 263.297 0.779 0 50 CCAA Cc1nscc1C(=O)N1CCO[C@@H](CC(=O)O)C1 191008217 DVABNFUCQFGFIR-QMMMGPOBSA-N 270.310 0.767 0 50 CCAA Cc1nnc(CCNc2ncnc3c2CCNCC3)s1 72480069 HVOHJLXLKZAUFM-UHFFFAOYSA-N 290.396 0.979 0 50 CCAA Cn1cnc2nc(=NCCn3nnc4ccccc43)[nH]cc21 2100539776 YARUDGMQQQUJSI-UHFFFAOYSA-N 294.322 0.642 0 50 CCAA O=C(O)[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2O)C1 2325761695 AAXGAQMRFURKJG-SSDOTTSWSA-N 289.284 0.627 0 50 CCAA CC(C)NC(=O)C1(NC(=O)C(=O)C2CCCC2)CC1 2325811204 AYUXLZWQOPOKTH-UHFFFAOYSA-N 266.341 0.919 0 50 CCAA CC[C@@](C)(CNS(=O)(=O)c1ccn(C)n1)C(=O)O 864091513 ZLCKXLDIRDVYMF-JTQLQIEISA-N 275.330 0.199 0 50 CCAA O=C(COC1CC1)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12 907947296 DIHHRGRRECKOOU-OYBPUVFXSA-N 253.298 0.781 0 50 CCAA Cn1c(=O)c2c(-c3ccccc3)n(N)cc2n(C)c1=O 310298 DISJRPVWQCBFPK-UHFFFAOYSA-N 270.292 0.420 0 50 CCAA CC[C@@H](NC(C)=O)C(=O)NC(=O)NCc1ccccc1 2121307 PMXGNMDTKYSUBJ-GFCCVEGCSA-N 277.324 0.927 0 50 CCAA biogenic O[C@@H]1CCN(c2nccn3c(-c4cc[nH]n4)cnc23)C1 2356164161 HPRARLVEKGMNFG-SECBINFHSA-N 270.296 0.690 0 50 CCAA CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](CCO)O2 3883294 NEFOQLNXMTWVSO-NSHDSACASA-N 285.321 0.562 0 50 CCAA O=S1(=O)CC[C@H](S(=O)(=O)Oc2ccccc2)C1 4829692 VFMYLFYEULSFGV-JTQLQIEISA-N 276.335 0.582 0 50 CCAA Cc1ccccc1OC[C@@H](O)CN1CCN(C)CC1 20512786 FBNCFNRRYCFQEK-AWEZNQCLSA-N 264.369 0.982 0 50 CCAA O=C(Nc1ccn([C@H]2CCNC2)n1)[C@@H]1CCCCO1 328625945 LEPPOYDSLZRRBJ-QWRGUYRKSA-N 264.329 0.925 0 50 CCAA Cc1n[nH]c(=NC(=O)N2CCc3n[nH]cc3C2)s1 328858764 UXRFFQRBSPKJCT-UHFFFAOYSA-N 264.314 0.582 0 50 CCAA CC(C)c1nc(CN2CCOC[C@@H]2c2ncnn2C)no1 328928203 XSIJHZZUFHXPHF-SNVBAGLBSA-N 292.343 0.895 0 50 CCAA CCn1ncnc1CN1C[C@H](COC)OC(C)(C)C1 330531446 NIUQDWZRCHGKST-LLVKDONJSA-N 268.361 0.924 0 50 CCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccon1 219289858 KGIFFPOPGKBZIM-URPMGSGRSA-N 252.270 0.454 0 50 CCAA CN(CCCc1cnn(C)c1)C[C@@]1(O)CCCNC1 72478260 IUAMIVOYRDOMJW-CQSZACIVSA-N 266.389 0.399 0 50 CCAA O=C1NC[C@@]2(C(=O)O)CN(C(=O)CC3CCCCC3)C[C@@H]12 72479997 XFOBMBILHZRDHP-XHDPSFHLSA-N 294.351 0.616 0 50 CCAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)[C@H]1C[C@@H](O)CN1 215677612 KSGUQRBYEHQEDY-TZMCWYRMSA-N 294.399 0.762 0 50 CCAA CC(=O)N1CC(C(=O)N2CCC[C@H]2c2ncc[nH]2)C1 334148589 YVIHMPPZRXMTET-NSHDSACASA-N 262.313 0.552 0 50 CCAA CNC(=O)C1(C(=O)N2CC[C@H](C3CCOCC3)C2)CC1 334421958 BLELHLPSYJCPFQ-LBPRGKRZSA-N 280.368 0.788 0 50 CCAA O=C1CSCN1CC(=O)N1CC[C@@H](C2CCOCC2)C1 335352419 VGWNBZZEBCARDH-GFCCVEGCSA-N 298.408 0.794 0 50 CCAA Cc1cc(CN2C(=O)N[C@](C)(c3cnn(C)c3)C2=O)no1 131320243 KEELGKNMAGVJLE-CYBMUJFWSA-N 289.295 0.684 0 50 CCAA Cc1nnccc1C(=O)N1CC[C@@H](N2CCOCC2)C1 362178708 JCMWVJNHVSESQE-GFCCVEGCSA-N 276.340 0.332 0 50 CCAA CN(Cc1nc[nH]n1)C(=O)[C@@]1(O)CCc2ccccc2C1 367056226 WWASHLJKFREXNT-OAHLLOKOSA-N 286.335 0.683 0 50 CCAA COc1ncc(CN2C[C@H]3[C@@H](C2)OCCN3C)c(C)n1 368056280 KIWKPTRVOLNHLI-QWHCGFSZSA-N 278.356 0.308 0 50 CCAA O[C@H]1CCCN(C2CCN(Cc3ncc[nH]3)CC2)C1 72432995 PDWUAUGBHSAMGE-ZDUSSCGKSA-N 264.373 0.831 0 50 CCAA CNC(=O)[C@@H]1CCCCN1Cc1cnc(COC)nc1 215389866 BVXXWCKOHVDSPO-LBPRGKRZSA-N 278.356 0.724 0 50 CCAA Cc1cnc(C(=O)N[C@H]2CC[C@H]2NC2CCOCC2)cn1 72167398 CULJQWLWCVNYED-OLZOCXBDSA-N 290.367 0.814 0 50 CCAA O=C(c1ccccc1)c1c(CO)[n+]([O-])c2ccccc2[n+]1[O-] 44123042 VCUDWVRYYZJTIU-UHFFFAOYSA-N 296.282 0.830 0 50 CCAA Cn1nc(-c2ccc(S(C)(=O)=O)cc2)ccc1=O 426538731 ZEYNJWRLIPTKQU-UHFFFAOYSA-N 264.306 0.851 0 50 CCAA C[C@@H]1O[C@H](Sc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 145886034 YBOVKFRFMWFKCC-KICMGLQKSA-N 256.323 0.606 0 50 CCAA CCc1[nH]nc(C(=O)NC[C@@H](O)CN2CCCC2)c1C 97505667 HLWDUCLGBHUWGX-LLVKDONJSA-N 280.372 0.467 0 50 CCAA Cc1nnc(Cn2ncc(N3CCCCC3)cc2=O)o1 95370086 DEVBNODHDXTCAX-UHFFFAOYSA-N 275.312 0.973 0 50 CCAA CNc1ccnc(N2CCC3(CCNC[C@@H]3CO)CC2)n1 97402436 UIXSPVYFSOAVKV-GFCCVEGCSA-N 291.399 0.707 0 50 CCAA COCCN(Cc1cnn(C)c1)C(=O)[C@H](C)n1ccnc1 426501732 HGWQNMAWKSAVKN-LBPRGKRZSA-N 291.355 0.853 0 50 CCAA Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 91726179 MGGYOCYYHWQETQ-LLVKDONJSA-N 276.340 0.319 0 50 CCAA COc1ncc(COC(=O)c2cnc(OC)nc2)cn1 96511512 RBYBKKSZCLWGOG-UHFFFAOYSA-N 276.252 0.641 0 50 CCAA Cc1nc(Cn2cnnc2)n(-c2cccc(C(=O)O)c2)n1 96133018 PGHUJBWBBOTZPZ-UHFFFAOYSA-N 284.279 0.914 0 50 CCAA CC(C)[C@@](C)(O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 337688648 KPTLXOSKBXQXPP-GDBMZVCRSA-N 298.427 0.964 0 50 CCAA CN(C)c1ccc(NC2=CC(=O)NC2)cc1C(N)=O 524735135 YOAABVAVCGWFTQ-UHFFFAOYSA-N 260.297 0.277 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCCN(c2ncccn2)CC1 534648558 ZIWLDUPYPCOXPQ-LBPRGKRZSA-N 273.340 0.043 0 50 CCAA O=C(Cn1ccc(=O)cc1)NC[C@@H]1CCN(C2CC2)C1 534640863 KGGOFHDKKJTOLS-LBPRGKRZSA-N 275.352 0.449 0 50 CCAA O=C(O)CN1CCN(Cc2ccc3cc[nH]c3n2)CC1=O 534582830 GFBPIKIIEMLQHT-UHFFFAOYSA-N 288.307 0.292 0 50 CCAA CCCNC(=O)N1CCc2nn(CCOC)c(=O)cc2C1 263618323 SJVVCMKHDBEIJT-UHFFFAOYSA-N 294.355 0.367 0 50 CCAA Cc1cccc(S(=O)(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 632348861 QMPDSKHNHWMCAW-STQMWFEESA-N 284.381 0.290 0 50 CCAA CS(=O)(=O)NC(=O)c1csc([C@H]2CCCO2)n1 165207371 WXWJHQDNFISOGP-SSDOTTSWSA-N 276.339 0.684 0 50 CCAA CCCn1cnnc1[C@H](C)NC(=O)c1ccc(=O)n(C)n1 584900311 KYSRDZVKOHPRHZ-VIFPVBQESA-N 290.327 0.273 0 50 CCAA CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCNC3)[C@@H]2C1 584883225 LLSFMUDMFIAXRO-MXWKQRLJSA-N 297.355 0.788 0 50 CCAA COCCN1CC[C@H](CNC(=O)Cc2ccncc2)C1 670457706 MOKUTFQDFPUTOW-CQSZACIVSA-N 277.368 0.709 0 50 CCAA COc1cccc(C(=O)N[C@H]2CNC[C@H]2OC)c1F 1548448277 YMNWPNOADZVNMQ-GXSJLCMTSA-N 268.288 0.551 0 50 CCAA Cc1c([C@H]2CN(c3ccccn3)C[C@@H]2C(N)=O)cnn1C 1549525395 TXTNARUIYXIYNA-OLZOCXBDSA-N 285.351 0.829 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CC[C@@H](c3cc[nH]n3)C2)C1 1875387041 KYTNFUWZEHTFCT-SNVBAGLBSA-N 274.324 0.370 0 50 CCAA OCc1ccnc(N2CCC(Cn3ccnn3)CC2)n1 1776002463 LHBAXAYINBTKQH-UHFFFAOYSA-N 274.328 0.477 0 50 CCAA COC(=O)c1c(OC)nsc1CN1CC(=O)N[C@H](C)C1 1462262460 MZCJXTHVTBFPSL-SSDOTTSWSA-N 299.352 0.259 0 50 CCAA CNC(=O)CN1CCCN(C(=O)OCCCF)CC1 1464583404 DQQSHZYWFYXBSF-UHFFFAOYSA-N 275.324 0.236 0 50 CCAA CN1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1=O 172611835 PRTDJVDIIPAROO-LBPRGKRZSA-N 274.320 0.538 0 50 CCAA C[C@@H]1[C@@H](C(=O)N2CCN3C(=O)NC[C@H]3C2)C1(F)F 408233336 TUBFFERDJDHGDO-CSMHCCOUSA-N 259.256 0.124 0 50 CCAA C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cnns1 408457984 RLZXVLRXWFLYGM-SNVBAGLBSA-N 270.402 0.815 0 50 CCAA COCCS(=O)(=O)NC[C@@H]1Cc2ccccc21 225531972 PWNPRZWJODZTCG-NSHDSACASA-N 255.339 0.892 0 50 CCAA CCn1cncc1CN1CCN2C(=O)OC[C@H]2C1 1237596917 JKXOLWCOOZCAAF-LLVKDONJSA-N 250.302 0.539 0 50 CCAA O=C(C1CCNCC1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704297459 SQXKAMCVKCWBST-HUUCEWRRSA-N 289.379 0.443 0 50 CCAA Cc1sc(CNC(=O)[C@H]2CCCO2)nc1C(=O)O 1615002282 VGLYAIGESYVMGR-SSDOTTSWSA-N 270.310 0.945 0 50 CCAA CS(=O)(=O)N(Cc1c(F)cccc1F)C(CO)CO 1615570868 CNXIAMNEJHVGAZ-UHFFFAOYSA-N 295.307 0.080 0 50 CCAA Cc1ccc(C(=O)NC[C@H](N)CO)c(F)c1Cl 1616039583 RRWMJRHGVYMDBE-ZETCQYMHSA-N 260.696 0.837 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@@H]1CCn2nccc2C1 1875333184 HAGIXUBAPASLAJ-VMZHVLLKSA-N 263.297 0.291 0 50 CCAA CN(C[C@@H]1CCCO1)C(=O)[C@@H](NC(N)=O)C(C)(C)C 253404911 VUMUOBKILQEIMY-VHSXEESVSA-N 271.361 0.707 0 50 CCAA Cc1ccccc1OC[C@H](O)CN1CCNCC1 19668690 DKUQBZHTHQFDKN-CYBMUJFWSA-N 250.342 0.640 0 50 CCAA CN1CCN(C[C@@]2(O)CCCN(CC3CCC3)C2=O)CC1 19795030 AVZYDAOIWKKFHP-INIZCTEOSA-N 295.427 0.387 0 50 CCAA COc1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc1C 1875242060 LSAHTQGCMDTRHQ-HBJVGIJOSA-N 293.319 0.261 0 50 CCAA Cc1cc(F)ccc1C(=O)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875248406 ORIGLRCANHFXJI-UMSGYPCISA-N 281.283 0.391 0 50 CCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(C(C)C)no1 643941542 JKAGQHAXEWBKNG-AWEZNQCLSA-N 295.339 0.905 0 50 CCAA CNC(=O)[C@@H](NC(=O)NCC1(COC)CCC1)C(C)C 252481137 CIAFZJOFTFLDTL-NSHDSACASA-N 285.388 0.873 0 50 CCAA CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cn(C)cn1 257366001 FPWBCXRTGQPYRU-RYUDHWBXSA-N 298.412 0.667 0 50 CCAA CNC(=O)Cn1cc(-c2ccc(OC)c(OC)c2)nn1 900496059 PAKFTFVVUPOWFV-UHFFFAOYSA-N 276.296 0.708 0 50 CCAA CO[C@@H]1C[C@H]1C(=O)N1CCn2c(nnc2C2CC2)C1 932569374 HXMSLKQAIRZBDA-NXEZZACHSA-N 262.313 0.533 0 50 CCAA Cc1cc(NC[C@@H]2CCN(S(C)(=O)=O)C2)ncn1 157328312 DTKLHNVWECLOFP-JTQLQIEISA-N 270.358 0.478 0 50 CCAA Cn1ncc2c1CCC[C@H]2NC(=O)C1(C(=O)O)CC1 262232194 NFTUQFNVXMZIMD-SECBINFHSA-N 263.297 0.779 0 50 CCAA CCO[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CC(=O)O)C1 262411844 ACJNJZMCDNXLML-IVZWLZJFSA-N 257.286 0.114 0 50 CCAA CS(=O)(=O)C1(CNc2cccc(C(=O)O)n2)CC1 263303769 DRMZEOYZZBVHJK-UHFFFAOYSA-N 270.310 0.769 0 50 CCAA CSCCCN1CCN(CCn2cncn2)CC1 97619115 CXQNBJLXMULJEX-UHFFFAOYSA-N 269.418 0.649 0 50 CCAA O=C(O)C[C@@H]1CCCN1C(=O)c1cnn2c1CCC2 637794898 POKAOZVUJBHMJS-VIFPVBQESA-N 263.297 0.909 0 50 CCAA CNC(=O)c1ccc(N2CCC[C@](F)(CO)C2)nn1 376187752 MQPSDWOMCCXPNX-GFCCVEGCSA-N 268.292 0.137 0 50 CCAA CC(C)c1nsc(CN2CC(C)(C(N)=O)C2)n1 930808476 APVNBDNFMCDUMN-UHFFFAOYSA-N 254.359 0.969 0 50 CCAA CC(C)C(=O)OCCNC1=NS(=O)(=O)c2ccccc21 2491277 MDYNKRGMMNIGCM-UHFFFAOYSA-N 296.348 0.924 0 50 CCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1coc2c1[C@H](O)CCC2 2325779194 NWXYXJKTLKIGLP-WCBMZHEXSA-N 297.332 0.690 0 50 CCAA CCC[C@@](C)(CO)NC(=O)c1ncnc2c1ncn2C 2325804499 TXFPOMNSSDLRCB-ZDUSSCGKSA-N 277.328 0.644 0 50 CCAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)[C@H]1CCSC1 923194129 LCGJUZZKYLVWAQ-LRPJSKTQSA-N 255.339 0.965 0 50 CCAA O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 264969 NHTQCMVKWAKECO-ZETCQYMHSA-N 261.324 0.986 0 50 CCAA O=C(O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 3886486 WYAZIQJWTHGDFT-QMMMGPOBSA-N 263.249 0.895 0 50 CCAA CCS(=O)(=O)N1CCC(C(=O)Nc2ccon2)CC1 6747640 JZWPZVDJDGSYFX-UHFFFAOYSA-N 287.341 0.675 0 50 CCAA CC1(C)NC(=O)N(CCN2CCO[C@@H]3CCCC[C@H]32)C1=O 230198388 XIFFUCMBKDUPEF-VXGBXAGGSA-N 295.383 0.960 0 50 CCAA Cc1cc(=O)[nH]c(SCC(=O)Nc2nnc(C)s2)n1 9143529 OMNCCTWOONFKLP-UHFFFAOYSA-N 297.365 0.969 0 50 CCAA C1COC2(O1)[C@H]1C3C4C5C3[C@H]3C1C([C@H]42)[C@H]5C31OCCO1 101053327 OHRLYNWTWXZERC-GZRHOKDNSA-N 274.316 0.716 0 50 CCAA Cc1nc(N2CCC(O)(CO)CC2)cc(-n2cccn2)n1 67855705 ZCIXWTRDKYVOON-UHFFFAOYSA-N 289.339 0.294 0 50 CCAA O=C(C[C@H]1COCCN1)NCCSc1ccccn1 72137114 ZOXXJGIYFAPMAP-NSHDSACASA-N 281.381 0.668 0 50 CCAA CNC(=O)CCN(C)C(=O)NCCOCc1ccccc1 176445023 QFZLPEGNZJUPKU-UHFFFAOYSA-N 293.367 0.981 0 50 CCAA Cn1ccc(C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)n1 375022 PXVPFIDHSHKZGA-JTQLQIEISA-N 294.208 0.841 0 50 CCAA Cc1ccccc1CN(CC(=O)O)S(C)(=O)=O 32110089 RCGUNTXKUJOSJT-UHFFFAOYSA-N 257.311 0.841 0 50 CCAA N[C@H]1CCN(C(=O)c2cccc(N3CCCNC3=O)c2)C1 237850709 NQIRXDPPLFGXSM-LBPRGKRZSA-N 288.351 0.780 0 50 CCAA C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@H]1C(=O)O 263199023 WXOLXVRLUGENJG-OUAUKWLOSA-N 291.369 0.538 0 50 CCAA CN(C)C[C@]1(O)CCCN(C(=O)Cc2ccncc2)C1 215705485 PXNFUKWPQLEJTP-OAHLLOKOSA-N 277.368 0.539 0 50 CCAA CC(=O)N[C@@H](CC(=O)N[C@@H](C)CN)c1ccc(F)cc1F 262532326 OGUCWTUAQWYYTC-SDBXPKJASA-N 299.321 0.996 0 50 CCAA COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1N 40333183 KEGRMTZNGRXZEC-LLVKDONJSA-N 298.364 0.985 0 50 CCAA CCN1CCO[C@H](C(=O)NCc2ccn3ccnc3c2)C1 178062657 JJLCGRJMKFXUOG-ZDUSSCGKSA-N 288.351 0.671 0 50 CCAA CN1CCC[C@@H]1CCNS(=O)(=O)N1CCCCC1 220340966 BOHGWKAKGUQQPG-GFCCVEGCSA-N 275.418 0.791 0 50 CCAA O=C(N[C@@H]1CCCNC1)c1ccccc1Cn1cncn1 178400283 ZZGYENPFMFGLDT-CYBMUJFWSA-N 285.351 0.808 0 50 CCAA CN(C)CCN(C)C1CCN(C(=O)CCCC(=O)O)CC1 426604208 BWZXZIAUFGIHSD-UHFFFAOYSA-N 299.415 0.726 0 50 CCAA CCc1nnc(CNC(=O)c2cnc(N)nc2C)o1 223158580 GUAXFHDKOZBSIS-UHFFFAOYSA-N 262.273 0.243 0 50 CCAA Nc1nc(=NCCc2cnc[nH]2)cc([C@@H]2CCOC2)[nH]1 426372173 GIJGUOWIIVQIGP-SECBINFHSA-N 274.328 0.362 0 50 CCAA O=C(NCCC1(O)CCOCC1)c1cc2n(n1)CCC2 622595084 KBBCVQVNYAGFQK-UHFFFAOYSA-N 279.340 0.491 0 50 CCAA COc1cccc([C@@H]2[C@@H](C(N)=O)[C@H](C)Nc3ncnn32)c1 247934932 DIUWOTZVAHGLKL-KPXOXKRLSA-N 287.323 0.792 0 50 CCAA C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cnn(C)c1 299609943 OFDYBXVXTQFEJL-NSHDSACASA-N 295.364 0.996 0 50 CCAA O=C(NC1CCN(c2ccccc2)CC1)[C@@H]1C[C@@H](O)CN1 262464364 WDZKSLFFBSWMCO-CABCVRRESA-N 289.379 0.494 0 50 CCAA Cc1ncsc1CCN(C)C(=O)NCc1nc(N)n[nH]1 534636346 RLKBIESXNDNEGO-UHFFFAOYSA-N 295.372 0.536 0 50 CCAA CC(=O)N1CCO[C@@H](CNC(=O)c2ccn(C)c2C)C1 534578904 OBFGLVUWRVCLSS-LBPRGKRZSA-N 279.340 0.311 0 50 CCAA CC(C)[C@H](NC(=O)CCCn1cnnn1)c1nccn1C 299792930 GFVVTPYYSMPVCO-LBPRGKRZSA-N 291.359 0.700 0 50 CCAA CN1CCOC[C@@H](CNC(=O)CC2CCNCC2)C1 823801224 PRLHMXXULRWIPA-ZDUSSCGKSA-N 269.389 0.071 0 50 CCAA CCc1ncc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)cn1 584899538 SZAZDTYCFIBQMO-STQMWFEESA-N 290.367 0.320 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)Cn1cc(C)cn1 584884864 XVJBZTRBHRVWFZ-NSHDSACASA-N 292.343 0.307 0 50 CCAA CN1CCC[C@H]1CCn1cnc2cn(C)nc2c1=O 584893808 OPZYCCJNKSVJOS-JTQLQIEISA-N 261.329 0.614 0 50 CCAA O=C([C@H]1CCCS1)N1CCC[C@H](Cc2nn[nH]n2)C1 952882529 SDJWEYFVSVYZMU-NXEZZACHSA-N 281.385 0.876 0 50 CCAA CC1CCN(S(=O)(=O)N2CC[C@H]3CCNC[C@H]32)CC1 1875268560 ZMMSMBUMDAEKPX-CHWSQXEVSA-N 287.429 0.647 0 50 CCAA N=c1nn[nH]n1CC(=O)N1CCCC[C@H]1c1nccs1 952975611 JPSIQVSRAPUHFA-QMMMGPOBSA-N 293.356 0.296 0 50 CCAA Cc1cc(C)n(C[C@@H](C)NC(=O)Cn2nc(C)cc2N)n1 952973006 XRQPXORAYNBUQL-LLVKDONJSA-N 290.371 0.792 0 50 CCAA Cc1csc(S(=O)(=O)N2CC3(CCOC3)C2)n1 1775986222 LREMLTCXYQMBEK-UHFFFAOYSA-N 274.367 0.863 0 50 CCAA Cc1cc(C(=O)O)c(N2CC[C@H](CO)[C@H](O)C2)nc1C 1529197937 ZJLLIGDHOQLYFH-ZYHUDNBSSA-N 280.324 0.576 0 50 CCAA O=C1CC[C@H](NC(=O)c2cccc3nc[nH]c23)C(=O)N1 1466214950 QXJAOYHMIOBQNK-VIFPVBQESA-N 272.264 0.098 0 50 CCAA C[C@H](c1ccsc1)N1CCN(C(=O)CC(N)=O)CC1 274192357 GIDNNBVZQYSEFJ-SNVBAGLBSA-N 281.381 0.829 0 50 CCAA Cc1nnc2ccc(C(=O)N3CCC(C(=O)O)CC3)cn12 212646875 LOCNDEOROBZLPF-UHFFFAOYSA-N 288.307 0.975 0 50 CCAA C[C@@H](O)[C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 408162254 VCELJRHDWQPXNM-GHMZBOCLSA-N 254.330 0.228 0 50 CCAA CCCC[C@H](N=c1[nH]c(=N)[nH]c(=N)[nH]1)C(=O)OC(C)(C)C 599068940 RBFYOQYZHYXNNP-QMMMGPOBSA-N 296.375 0.431 0 50 CCAA Cc1nn(C)c(C)c1CCCNC(=O)NC[C@@H](C)O 192544144 DQXZNIYAOWWPQA-SECBINFHSA-N 268.361 0.650 0 50 CCAA OCCN1CCN(c2ccnc(N3CCCCC3)n2)CC1 196199953 KWEOJRBZCUFGSB-UHFFFAOYSA-N 291.399 0.581 0 50 CCAA c1nc(N2CC[C@@]3(CCCNC3)C2)c2c[nH]nc2n1 569560282 FGOPBVBSIDCDHH-CYBMUJFWSA-N 258.329 0.933 0 50 CCAA Cc1ccn(-c2ccc(N3C[C@@H]4C[C@]4(CO)C3)nn2)n1 782401565 FEJOCXSFPWARKC-SMDDNHRTSA-N 271.324 0.789 0 50 CCAA Cn1ncc(Cl)c1CNCCc1nnc2n1CCC2 582283586 MLZLQONSMNXVGP-UHFFFAOYSA-N 280.763 0.944 0 50 CCAA O=C(Cn1cc(-c2cccs2)nn1)N1CCOCC1 585091485 HBTQJVAZDMTSIJ-UHFFFAOYSA-N 278.337 0.865 0 50 CCAA CC(C)(CN1CCOCC1)CN1C[C@H](O)[C@@H](F)C1 1615751359 MWYVRUDHTCQCBZ-RYUDHWBXSA-N 260.353 0.359 0 50 CCAA CCC[C@@H]1C(=O)NCCN1C(=O)Cc1cnn(C)c1 122224256 BHYGFPMHMJNCPI-LLVKDONJSA-N 264.329 0.090 0 50 CCAA Cc1[nH]nc(CN2CCC([C@@H](O)CO)CC2)c1Cl 1772704183 PJLNVKSXRAHNAC-NSHDSACASA-N 273.764 0.937 0 50 CCAA Cc1ccc2c(C(=O)N[C@@H]3COCC[C@H]3O)cnn2c1 1772815334 PSLXITHHAJQYNP-DGCLKSJQSA-N 275.308 0.522 0 50 CCAA CN1CCCN(CC(=O)N2CCC[C@@H]2C2(O)CC2)CC1 1772816540 PIAXEUFBJSYMCW-CYBMUJFWSA-N 281.400 0.140 0 50 CCAA CCc1nc(N2C[C@@H]3CNC[C@@]3(CN(C)C)C2)no1 1775980209 WUMIKCKYYATJSZ-GXFFZTMASA-N 265.361 0.219 0 50 CCAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N1CCCO1 11873172 IAWLGHSIGVSDNG-GFCCVEGCSA-N 283.372 0.387 0 50 CCAA COCC(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 11878721 GPNVEZHLWWUJIC-CYBMUJFWSA-N 276.336 0.593 0 50 CCAA Cc1cc(=O)n2ccc(CN3CCOCC3)c(O)c2n1 19771400 CSLDLWZJSCNZPW-UHFFFAOYSA-N 275.308 0.541 0 50 CCAA CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)C1CC1 328619487 FVXFPLOCXGCIKM-SNVBAGLBSA-N 269.370 0.870 0 50 CCAA COC[C@@H]1CN(C(=O)c2ncc3n2CCCC3)CCO1 631479952 BVLYFHOPPMKJBZ-LBPRGKRZSA-N 279.340 0.707 0 50 CCAA CNC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccon1 266187706 HJZZTWXTIJISGG-JTQLQIEISA-N 287.341 0.105 0 50 CCAA Cc1nnccc1NC(=O)NCCN1CCO[C@H](C)C1 930817866 ZFUUMGYXZIYIQH-SNVBAGLBSA-N 279.344 0.627 0 50 CCAA COC[C@@H](O)CN(C)c1cc(N2CCCC2)ncn1 225477194 AABXBKMPSPQJDN-NSHDSACASA-N 266.345 0.520 0 50 CCAA CN(Cc1ncc(Cl)n1C)C(=O)[C@@H]1CCCN1 237196232 PRNIGFLMEXRREF-QMMMGPOBSA-N 256.737 0.784 0 50 CCAA CC(=O)Nc1nc(C(=O)N2CC(=O)NCC2(C)C)cs1 282802585 XGTWQYNBYSVALR-UHFFFAOYSA-N 296.352 0.452 0 50 CCAA CSC[C@H](NC(=O)c1c(Cl)c(C)nn1C)C(=O)O 426642867 GUHTWYCUKHBZMJ-LURJTMIESA-N 291.760 0.928 0 50 CCAA CCn1cncc1CNC(=O)N1CCC[C@H](O)C1 534660376 WKPLEALTQOSSHM-NSHDSACASA-N 252.318 0.569 0 50 CCAA O=C(NN1CCCCC1=O)c1cc(Cn2cccn2)on1 2325706078 UQLAEHSKOFTOEJ-UHFFFAOYSA-N 289.295 0.577 0 50 CCAA Cc1cc(C)nc(-n2[nH]c(=NC(=O)c3cnn[nH]3)cc2C)n1 2325720880 YJEPEJONFNDXHO-UHFFFAOYSA-N 298.310 0.380 0 50 CCAA O=C(NS(=O)(=O)c1ccccn1)C1C[C@@H]2COC[C@H]2C1 2325787296 QHPRSSYJFTVISD-GHMZBOCLSA-N 296.348 0.559 0 50 CCAA NCC(F)(F)CNC(=O)c1cnn(-c2ccccn2)c1N 2325865423 BRQLXUAHKFFQHH-UHFFFAOYSA-N 296.281 0.173 0 50 CCAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 219269 OJALGCRYGRRSHQ-SNVBAGLBSA-N 286.353 0.567 0 50 CCAA O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 543688 UILPSDWDTZXIMK-LBPRGKRZSA-N 278.308 0.724 0 50 CCAA CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H]1n1ccnn1 307702899 PXZMSUFLEKXRMA-BDAKNGLRSA-N 253.306 0.316 0 50 CCAA CCOC(=O)NN(C(=O)OCC)C(C(C)=O)C(C)=O 1587975 MPWFVSQATYEJRV-UHFFFAOYSA-N 274.273 0.653 0 50 CCAA COC(=O)[C@@H]1CC12CCN(c1cc(O)nc(=N)[nH]1)CC2 2356145172 DTCDJTUYMDZQST-QMMMGPOBSA-N 278.312 0.374 0 50 CCAA CCn1ncc(NC(=S)NCCCOC)c1C(N)=O 2852508 OPQKSRZYODMMDT-UHFFFAOYSA-N 285.373 0.325 0 50 CCAA C=COCCNC(=O)C(=O)Nc1ccccc1OC 2993033 BZILBDCGUNISFV-UHFFFAOYSA-N 264.281 0.910 0 50 CCAA COC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)OC 26640051 CAUUPQLNYYFMOQ-SNVBAGLBSA-N 265.265 0.060 0 50 CCAA O=C1CN(C(=O)CCN2CCCCCCC2)CN1 55414552 YKHGSKZPILFRIQ-UHFFFAOYSA-N 253.346 0.559 0 50 CCAA COc1cccc(OCC(=O)N2CCN(C)CC2)c1 22034354 UHKQZCGJNCDSNY-UHFFFAOYSA-N 264.325 0.848 0 50 CCAA Cn1cnc(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c1 630202678 IROXQLVGPUEIOJ-VHSXEESVSA-N 263.297 0.603 0 50 CCAA Cn1cnnc1COCC(=O)N1CCCC2(CC2)C1 329074955 BRQOSOHNPDMOLQ-UHFFFAOYSA-N 264.329 0.734 0 50 CCAA O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CCC[C@H](O)C1 329492929 WHGWYVFKYHELII-NSHDSACASA-N 289.291 0.627 0 50 CCAA C[C@@H]1C[C@@H]1NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 125026887 RGTYEXPRCKIEIP-VGMNWLOBSA-N 262.375 0.475 0 50 CCAA Cn1cc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cn1 215116 NVKJMMZZYDHHBL-QWRGUYRKSA-N 263.297 0.703 0 50 CCAA C[C@H]1CCN[C@@H](C(=O)NCC(=O)N2CCCC2)C1 127640844 ZERQQIDYZQCLCP-WDEREUQCSA-N 253.346 0.113 0 50 CCAA CCN1CCO[C@@H](C(=O)N[C@H](CC(C)C)C(=O)O)C1 236846018 IKTWAGVWUWVAQK-GHMZBOCLSA-N 272.345 0.323 0 50 CCAA CN1C(=O)CC[C@H](NC(=O)NCC2=CCCCC2)C1=O 333784914 VECJMWPNYMRRTN-NSHDSACASA-N 279.340 0.933 0 50 CCAA O=C(Nc1ccc(F)cc1)C(=O)N1CCOCC1 38946476 LCUOSQNJMWTBCP-UHFFFAOYSA-N 252.245 0.623 0 50 CCAA C[C@@H](CN1CCCC1=O)NC(=O)N1CC2(CCOCC2)C1 336454466 MHFDOPSWOBUNQO-LBPRGKRZSA-N 295.383 0.819 0 50 CCAA CCC1=NO[C@@H](C(=O)NCCn2c(C)cc(C)nc2=O)C1 71440429 IGBZFRNOHCMRLR-GFCCVEGCSA-N 292.339 0.531 0 50 CCAA C[C@H](CN1CCCC1=O)NC(=O)N1CC2(CCOCC2)C1 336454465 MHFDOPSWOBUNQO-GFCCVEGCSA-N 295.383 0.819 0 50 CCAA COCCOc1cccc(C(=O)N2CCN(C)C(=O)C2)c1 152765086 HWNIOJNFVBFDTQ-UHFFFAOYSA-N 292.335 0.626 0 50 CCAA O=C(NCc1ccc2nonc2c1)[C@H]1NCCc2[nH]cnc21 72429793 FYEVKSXAGLTQEZ-ZDUSSCGKSA-N 298.306 0.449 0 50 CCAA CN(C)C[C@]1(O)CCCN(c2ncccc2C(N)=O)CC1 72153476 NZBXOYMKMULNJE-HNNXBMFYSA-N 292.383 0.464 0 50 CCAA CC[C@H](NC(=O)Cn1ccnc1C)C1CC(O)C1 223663390 XGCHJHSQFZEQMX-MCIGGMRASA-N 251.330 0.857 0 50 CCAA CN(C)S(=O)(=O)CCNCc1ccc(O)cc1 40457315 MTNJPSZNPPCJGH-UHFFFAOYSA-N 258.343 0.373 0 50 CCAA O=C(O)[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CCCOC3)C[C@H]21 426739075 PCLLLYKPMJUZGE-UXCLJVHYSA-N 253.298 0.592 0 50 CCAA CC1CCN(S(=O)(=O)N[C@@H](C)c2nncn2C)CC1 47331402 BCVCSRDFXBDYPK-JTQLQIEISA-N 287.389 0.442 0 50 CCAA O=C(COc1ccccc1F)N1CCCn2nnnc21 293872781 CPINSPOADQMJRG-UHFFFAOYSA-N 277.259 0.628 0 50 CCAA CCc1nc(CN(C)C(=O)CN2CC[C@@H](C)C2=O)no1 95499074 QUOQXKALXHUXGH-SECBINFHSA-N 280.328 0.459 0 50 CCAA CNCC(=O)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91830334 IUNNWCUMCVCUPU-MRXNPFEDSA-N 293.411 0.990 0 50 CCAA CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)CCNC1 142972523 AUDBMFULIIGUKI-LBPRGKRZSA-N 258.318 0.806 0 50 CCAA CC[C@H](C(=O)N(CCO)Cc1nccn1C)n1cccn1 92046952 UVSNQCUKEHIKIX-GFCCVEGCSA-N 291.355 0.589 0 50 CCAA C[C@]1(c2ccccc2)CN(C(=O)[C@@H]2COCCN2)CCO1 299740239 XJYJWZMGIOJTNL-GOEBONIOSA-N 290.363 0.749 0 50 CCAA O=C(NCCOc1cccc(Cl)c1)[C@H]1C[C@H](O)CN1 299747469 DCOACMXEFFBNER-CMPLNLGQSA-N 284.743 0.558 0 50 CCAA Cc1cc(=O)n(CCN(C)[C@H](C)c2ccncn2)c(O)n1 253537312 LWKXKDBNRUQROI-LLVKDONJSA-N 289.339 0.740 0 50 CCAA COCc1noc(CNC(=O)N(C)C[C@H]2CCCO2)n1 534590661 JTTXJZVGOANGPA-SECBINFHSA-N 284.316 0.536 0 50 CCAA COc1ccnc(CN2CCN3C(=O)OC[C@H]3C2)c1OC 375466744 GGWXUVAIJYBUNO-SNVBAGLBSA-N 293.323 0.735 0 50 CCAA O=C(NC1CCN(Cc2cccnc2)CC1)c1cnn[nH]1 299798452 SFBZBHVRYFPCET-UHFFFAOYSA-N 286.339 0.594 0 50 CCAA COCCCN1CC[C@H](CNC(=O)CC2CCNCC2)C1 824390228 XFUCWQYKDWRNLH-OAHLLOKOSA-N 297.443 0.851 0 50 CCAA COCCCNS(=O)(=O)CC(=O)c1ccccc1 725375969 RBSPKNASEZAOPX-UHFFFAOYSA-N 271.338 0.825 0 50 CCAA CCCc1nnc(N2C[C@@H](C(=O)O)CC2=O)s1 585122769 BHMSZKCDIOMNEM-LURJTMIESA-N 255.299 0.928 0 50 CCAA CCn1c(C)ccc(C(=O)N[C@H]2CCN(C)C2=O)c1=O 584900811 HGTHUUXSFDHHEB-NSHDSACASA-N 277.324 0.137 0 50 CCAA Cc1nonc1CNC(=O)c1n[nH]c2c1CCCC2 584889396 UFZJJSKYRPBQDY-UHFFFAOYSA-N 261.285 0.910 0 50 CCAA CC[C@@H](NC(=O)CNS(C)(=O)=O)c1ccc(C)cn1 584903350 DDCSQRMDVBYBRW-SNVBAGLBSA-N 285.369 0.507 0 50 CCAA Cc1cccc2ncn(C[C@@H]3CCNC[C@H]3O)c(=O)c12 670448887 QHHZRDDPQQYNAA-WCQYABFASA-N 273.336 0.675 0 50 CCAA O=C(C1SCCS1)N1CCCc2nn[nH]c21 1875254170 XMABQBGFAGZUFR-UHFFFAOYSA-N 256.356 0.890 0 50 CCAA COCCn1ncc(C(=O)N2C[C@H]3CCC[C@]3(N)C2)c1C 876985560 RQQYCOVCMWGSNT-DOMZBBRYSA-N 292.383 0.791 0 50 CCAA C=CC(=O)N1CCC(C(=O)NOCCOC)CC1 1875365774 XXQOIPGIJYMSGK-UHFFFAOYSA-N 256.302 0.105 0 50 CCAA CN(CCCn1cccn1)C(=O)CCS(C)(=O)=O 952982437 XERNUJIRHMYTLM-UHFFFAOYSA-N 273.358 0.166 0 50 CCAA CCOCCO[C@H]1CCN(c2nccn3cnnc23)C1 269718747 FODMLLBZCUTVAQ-NSHDSACASA-N 277.328 0.756 0 50 CCAA NC(=O)c1c[nH]c(C(=O)NCc2n[nH]c3c2CCCC3)c1 1775988295 ZCVYPGVHHVHOFR-UHFFFAOYSA-N 287.323 0.646 0 50 CCAA COCCc1nc([C@H]2C[C@@H](O)C2)n(C[C@@H]2CCCO2)n1 1775986755 YSCVARKCXRZBHZ-TUAOUCFPSA-N 281.356 0.884 0 50 CCAA CC(C)(C(=O)N1C[C@@H](N)C2(CCC2)C1)n1ccc(N)n1 1775962346 GNEFQWOTDPOEGU-SNVBAGLBSA-N 277.372 0.540 0 50 CCAA Cc1cc(C)nc(N[C@@H]2CCCCN(CC(=O)O)C2=O)n1 1594305848 JTVMAOZZAGHZJO-LLVKDONJSA-N 292.339 0.971 0 50 CCAA CC[C@@H]1CN(C(=O)Cc2ccncc2)CCN1C[C@@H](C)O 272410995 OPLBWFJPBFFBEP-UKRRQHHQSA-N 291.395 0.928 0 50 CCAA CC[C@H](C)S(=O)(=O)NC(=O)c1cc2n(n1)CCO2 408474816 ROEUVHODZQDMEM-ZETCQYMHSA-N 273.314 0.134 0 50 CCAA CN(C)C(=O)CNC(=O)c1csc(-c2cnccn2)n1 225539375 OKNXPUGEDNJTMP-UHFFFAOYSA-N 291.336 0.418 0 50 CCAA NCCNS(=O)(=O)Cc1cccc2cccnc12 170050980 GGJCJVWYYQSHHC-UHFFFAOYSA-N 265.338 0.613 0 50 CCAA COC(=O)c1ccc(O)c(NC(=O)CC(=O)N(C)C)c1 225737655 PPDFGBXXWCMQJG-UHFFFAOYSA-N 280.280 0.596 0 50 CCAA CC(C)NCCCNS(=O)(=O)c1ccccn1 170593140 AIVWLBVSYIDBRT-UHFFFAOYSA-N 257.359 0.748 0 50 CCAA COc1ccc(-n2ccc(C(=O)NCc3nn[nH]n3)n2)cc1 599334862 VYNGNPMXJSAWBH-UHFFFAOYSA-N 299.294 0.324 0 50 CCAA Cc1cnc2cc(C(=O)N3CCO[C@H](CO)C3)ccn12 582130668 KBRHSZQRFQBMJO-LBPRGKRZSA-N 275.308 0.476 0 50 CCAA C[C@@H]1CCn2ncc(C(=O)NC[C@@H](C)C(=O)O)c2C1 583874601 ZGXLOAGNWXYFPP-RKDXNWHRSA-N 265.313 0.916 0 50 CCAA CCc1nn(C)cc1CNC(=O)N1CC[C@H](CC(N)=O)C1 585083058 DYGPQJUDNDPGGP-SNVBAGLBSA-N 293.371 0.389 0 50 CCAA CCCCCOCC(=O)NN1C(=O)[C@@H](C)N(C)C1=O 585128286 XZCRLWGJXXHGBN-SECBINFHSA-N 271.317 0.507 0 50 CCAA CNc1ccnc(NC[C@H]2CC(=O)N(CCOC)C2)n1 1506401762 LPEDVSQPGOAOSH-SNVBAGLBSA-N 279.344 0.425 0 50 CCAA COc1cnc(C)cc1C(=O)N1CCC[C@H]1CO 1857702001 VREHVERGMNGELT-JTQLQIEISA-N 250.298 0.996 0 50 CCAA CS(=O)(=O)C1(C(=O)N[C@@H]2COCc3ccccc32)CC1 1615547595 JVPGQHSWPGUAFD-GFCCVEGCSA-N 295.360 0.951 0 50 CCAA Nc1ccn2ncc(C(=O)N[C@H](CO)C3CCC3)c2c1 1615554507 TVFXIZRRWXCSEB-GFCCVEGCSA-N 274.324 0.807 0 50 CCAA CO[C@@H]1C[C@@H](N(C)S(=O)(=O)C2COC2)C12CCC2 333057268 HSDWIUGAARBXTR-GHMZBOCLSA-N 275.370 0.604 0 50 CCAA O=C(c1ccsc1Cl)N1CCNS(=O)(=O)CC1 1875299713 TWNBMDNMTWMARJ-UHFFFAOYSA-N 294.785 0.777 0 50 CCAA CN1C[C@@H](CN2CCN(c3cnccn3)CC2)CCC1=O 1772813513 DUQQIIBCQASFMX-ZDUSSCGKSA-N 289.383 0.467 0 50 CCAA Cc1nc(N2C[C@@H]3CC(=O)N[C@@H]3C2)c2cccnc2n1 1857698087 WYOMXEJTIYMASX-GXSJLCMTSA-N 269.308 0.658 0 50 CCAA Cc1ncn(CCNC(=O)[C@@H]2CCc3ncnn3C2)c1C 1857741172 GRVYIIMXOPGYGW-GFCCVEGCSA-N 288.355 0.470 0 50 CCAA COc1ccc(OC)c(CNC(=O)[C@H]2NC(=O)O[C@@H]2C)c1 225575948 KQVFLTGMWJZTLW-PELKAZGASA-N 294.307 0.817 0 50 CCAA Cc1nc[nH]c1C(=O)N1C[C@H]2CCN(C)C[C@@]2(C(=O)O)C1 248106132 FYQJOJMEJGWZCD-QMTHXVAHSA-N 292.339 0.197 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)Cc1ccc2c(c1)CCO2 262534497 TYSMLRKSIXWEIS-LBPRGKRZSA-N 291.303 0.476 0 50 CCAA CN(C)[C@@H]1C[C@@H](NS(=O)(=O)c2ccnn2C)C1(C)C 585139406 WDTLOODFAKFBRK-NXEZZACHSA-N 286.401 0.427 0 50 CCAA Cc1cnc(CN2CCCC[C@@H]2CS(N)(=O)=O)nc1 825248639 VSCDVIXPMBMJGB-LLVKDONJSA-N 284.385 0.428 0 50 CCAA CN1CCC(OCC(=O)N2CCCc3n[nH]cc32)CC1 935708528 IOWPOEUALUEVQF-UHFFFAOYSA-N 278.356 0.800 0 50 CCAA CC(=O)N[C@H](C(=O)NCc1nc[nH]c1C)C(C)C 222699268 NJJOOXXOWDCSPV-NSHDSACASA-N 252.318 0.495 0 50 CCAA Cc1ccc(F)cc1S(=O)(=O)NCC1(CO)COC1 129062504 BSDRTPKSIFVUND-UHFFFAOYSA-N 289.328 0.421 0 50 CCAA O=C(CN1CCO[C@]2(CCOC2)C1)NCc1ccco1 185185662 WMJXDYXVBSSLRY-CQSZACIVSA-N 280.324 0.387 0 50 CCAA Cc1n[nH]cc1S(=O)(=O)N1C[C@H]2CCC[C@@]2(N)C1 622015025 OTWIVFWGDQDRKY-MWLCHTKSSA-N 270.358 0.220 0 50 CCAA C[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)C[C@H]1CCCCO1 373874001 YDFOELQOHYOJTD-GMTAPVOTSA-N 291.369 0.680 0 50 CCAA O=C(CSc1nnc(O)[nH]c1=O)OCc1ccccc1 752063 ZPDUFMIZOIWGEM-UHFFFAOYSA-N 293.304 0.706 0 50 CCAA COc1cccc(NC(=O)C(=O)NCCN(C)C)c1 2950568 MITXIMIMVNRHIC-UHFFFAOYSA-N 265.313 0.312 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@H](C)Cn2cncn2)cc1 8844797 FJKZRWJFNKTYAG-LLVKDONJSA-N 280.353 0.954 0 50 CCAA CCc1n[nH]cc1C(=O)N1CCC(CNC(C)=O)CC1 58328755 QMGUCVNFSDVREY-UHFFFAOYSA-N 278.356 0.960 0 50 CCAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3C[C@H]32)cn1C 521394164 GKFWRMDRZTXSBS-GXSJLCMTSA-N 297.380 0.558 0 50 CCAA COCC[C@@H]1COCCN1C(=O)Cn1cc(C)cn1 330926728 VWXSREBRNGTKQN-GFCCVEGCSA-N 267.329 0.455 0 50 CCAA Cc1cscc1C(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)O)C1 332668276 QCYVQGWINGFLPF-GHMZBOCLSA-N 298.364 0.258 0 50 CCAA COCCOc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2)cc1 237144070 QWQOLUOOQKQVDP-GXTWGEPZSA-N 294.351 0.051 0 50 CCAA Cc1cc(CN2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)no1 131320454 KEELGKNMAGVJLE-ZDUSSCGKSA-N 289.295 0.684 0 50 CCAA O=C([C@H]1CCCN1)N1CC[C@H](Oc2cccnc2)C1 238001153 FPZZAYHRAHHOKL-QWHCGFSZSA-N 261.325 0.813 0 50 CCAA O=C(NC[C@@H]1CCNC1)[C@@H]1CCCN1C(=O)C1CCCC1 342732632 KNPZVLXHRQYQAF-OCCSQVGLSA-N 293.411 0.893 0 50 CCAA Cn1nccc1/C=C/C(=O)N1CC(F)(F)C[C@H]1CO 364605878 XFNULZIZVPKORQ-PBKGFPTLSA-N 271.267 0.662 0 50 CCAA CCN1CCC[C@H](c2nccn2CCc2n[nH]c(=O)[nH]2)C1 72121633 PXNFSZANGNZHMK-NSHDSACASA-N 290.371 0.737 0 50 CCAA CC(C)(C)n1cc(C(=O)N2CCOC[C@@H]2C(=O)O)cn1 262547523 TXYTZKSMUTXUON-SNVBAGLBSA-N 281.312 0.564 0 50 CCAA CN1C[C@]2(CCN(C(=O)c3cc(C4CC4)n[nH]3)C2)OC1=O 72133352 LVCATABFRBMDEI-AWEZNQCLSA-N 290.323 0.954 0 50 CCAA Cc1cccn2cc(C(=O)N3CC[C@H](CO)[C@H](O)C3)nc12 72162188 FYFUIMZTEZANMQ-DGCLKSJQSA-N 289.335 0.458 0 50 CCAA CCN1C[C@H](C(=O)NCCc2ccco2)CC1=O 46150388 BICNLQCBNPWUTB-SNVBAGLBSA-N 250.298 0.807 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)c1cn2cccnc2n1 223314613 XSOMGIDEXHPALK-ZYHUDNBSSA-N 290.323 0.653 0 50 CCAA Cc1cnn(CCNC(=O)c2cn(C)c(C)cc2=O)c1 426411513 PQNLENXYUSEIEK-UHFFFAOYSA-N 274.324 0.629 0 50 CCAA CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CNCCOC 178865882 JREKIFJNPCKSFB-OLZOCXBDSA-N 269.389 0.308 0 50 CCAA C[C@H](Cc1cccnc1)NC(=O)N1CCS(=O)(=O)CC1 426526538 XXTMIGFQNQNSRB-LLVKDONJSA-N 297.380 0.453 0 50 CCAA O=C1NCCN1CCS(=O)(=O)c1ccccc1 95524531 VFAXILLHEYHLON-UHFFFAOYSA-N 254.311 0.486 0 50 CCAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)COC)C1 91519365 KKHRQCGOICKPQJ-ZDUSSCGKSA-N 273.329 0.753 0 50 CCAA O=C1N[C@H](C(=O)NCCCn2ccnn2)Cc2ccccc21 426518354 RHQKOKLRRYEWKT-ZDUSSCGKSA-N 299.334 0.139 0 50 CCAA CCN(C(=O)NCCCn1ccnc1)[C@H]1COC[C@@H]1O 426504683 YYCMNMCLQTWGAK-RYUDHWBXSA-N 282.344 0.064 0 50 CCAA NC(=O)[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)CCO1 97654089 DUBQGNQFZPYCQC-LBPRGKRZSA-N 298.726 0.755 0 50 CCAA CN(Cc1cc(-c2ccccc2)[nH]n1)C[C@H](O)CO 97694845 GWRJOASBHOSVRO-ZDUSSCGKSA-N 261.325 0.862 0 50 CCAA C[C@H](C(=O)O)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239090958 HNBWDTVDZIXTAL-HPKJNZPISA-N 261.277 0.513 0 50 CCAA CSCc1noc(-c2nc3c([nH]2)CCCNC3=O)n1 95503352 BNKQPYDCTMDIPQ-UHFFFAOYSA-N 279.325 0.999 0 50 CCAA Cc1nnc(NCC[C@H]2CCC(=O)N2CCN(C)C)o1 95361147 IGCAKOCRFVXGLL-LLVKDONJSA-N 281.360 0.733 0 50 CCAA Cn1cncc1C(=O)N1CCC2(CC1)CN[C@H](C(=O)O)C2 91676695 PEKNKMWAQNHGNH-JTQLQIEISA-N 292.339 0.089 0 50 CCAA CC(C)=CC[C@]1(CO)CCCN(C(=O)COCC(N)=O)C1 92096979 YQPFJXXDJSFOFD-OAHLLOKOSA-N 298.383 0.446 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)CCC1CCOCC1 299749386 KDLSOMGAUMRONO-NSHDSACASA-N 271.313 0.505 0 50 CCAA CCCc1nc(C(=O)NCc2noc(C(N)=O)n2)cs1 534636919 YODZRWPFNBPWJS-UHFFFAOYSA-N 295.324 0.508 0 50 CCAA CC(C)C1(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)CC1 629302524 BCODRWOTHIUWJU-VIFPVBQESA-N 277.342 0.290 0 50 CCAA O=C(Cn1ccc(=O)cc1)NC[C@H]1CCN(C2CC2)C1 534640862 KGGOFHDKKJTOLS-GFCCVEGCSA-N 275.352 0.449 0 50 CCAA C[C@H](C(=O)NCc1nc(C(F)(F)F)n[nH]1)n1cccn1 360994997 HDOMOEJXCDFYQM-ZCFIWIBFSA-N 288.233 0.897 0 50 CCAA CC(C)c1nc(O)ccc1C(=O)N1CCS(=O)(=O)CC1 1940197507 VPIGGTJZQCEWHI-UHFFFAOYSA-N 298.364 0.781 0 50 CCAA Cc1cc(=O)cc(C(=O)NCCN2CCC[C@H](CO)C2)o1 299797884 CUZCPQBRVAWBAF-LBPRGKRZSA-N 294.351 0.382 0 50 CCAA Nc1cc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)ncn1 299798545 SVWSXKBKAFFGAP-UWVGGRQHSA-N 273.300 0.001 0 50 CCAA COCCn1cncc1CNC(=O)c1cnc(N)nc1C 299785442 ZRHYVROQHQPYDV-UHFFFAOYSA-N 290.327 0.140 0 50 CCAA CNC(=O)c1ccnc(NCCN2CCC[C@@H](CO)C2)c1 828711072 BALQYQDTTXADNM-GFCCVEGCSA-N 292.383 0.557 0 50 CCAA CCOC(C)(C)C(=O)NCCN1CCC[C@@H](CO)C1 823289041 LMIQMPWKDYQQDN-GFCCVEGCSA-N 272.389 0.622 0 50 CCAA C[C@H](NC(=O)c1ccc(CO)o1)c1nnc(N)s1 584898477 QJYAYAVPEHKGKM-YFKPBYRVSA-N 268.298 0.697 0 50 CCAA CCn1ccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1=O 584898096 ZGHWMEDAPBCNHB-LLVKDONJSA-N 277.324 0.219 0 50 CCAA Cc1ccc(C(=O)N2CC[C@@H](Cc3nn[nH]n3)C2)cn1 1875286436 SXFMNTPTTSBRSD-JTQLQIEISA-N 272.312 0.608 0 50 CCAA CO[C@H]1CCC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1875264523 MBSXYHXTTHSFQQ-QWRGUYRKSA-N 295.339 0.001 0 50 CCAA CC(=O)N1CC[C@](O)(CN=c2[nH]c3cc(C)ccc3o2)C1 1875307391 DQQQGUJERIWEIU-HNNXBMFYSA-N 289.335 0.953 0 50 CCAA Cn1cnc2c(C(=O)N[C@H]3CC3(C)C)[nH]nc2c1=O 1875300071 KHYCXUSSZMPLAN-LURJTMIESA-N 261.285 0.185 0 50 CCAA Cn1cc(CC(=O)Nc2ccc3c(=O)[nH]ccc3c2)nn1 1875350093 AJHIYYYFERRBSS-UHFFFAOYSA-N 283.291 0.838 0 50 CCAA C[C@H](Cn1cccn1)C(=O)N[C@H]1CC[C@@H](N)CC1 952977045 OOMRJXICHCGQAH-UTUOFQBUSA-N 250.346 0.905 0 50 CCAA Cc1ncnc(O)c1CCC(=O)N1CCS(=O)CC1 1434427202 AHTKRLRIYUZCPO-UHFFFAOYSA-N 283.353 0.014 0 50 CCAA CC(C)Cc1cc(=NC(=O)c2ccc3c(c2)B(O)OC3)[nH][nH]1 585009471 YGNORQAOYNPZQS-UHFFFAOYSA-N 299.139 0.500 0 50 CCAA CCCn1[nH]cc/c1=N\C(=O)CSc1nccc(O)n1 408526033 NVKALJWRQZMCPB-OQLLNIDSSA-N 293.352 0.941 0 50 CCAA C[C@@H]1[C@H](N(C)C)CCN1C(=O)[C@H]1CCCCC(=O)N1 408522834 MJYGNNWAHJWHTM-IJLUTSLNSA-N 267.373 0.596 0 50 CCAA CO[C@@H]1CN(c2ncc(Br)cn2)C[C@H]1O 307484592 TXKXHNUVANZVHG-HTQZYQBOSA-N 274.118 0.435 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2cncn2C(C)C)C1 643758107 GPEFECXZICQGNZ-HNNXBMFYSA-N 294.399 0.927 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(c2nccnc2C)C1 643720878 OZRWLIIGQNDGNI-ZDUSSCGKSA-N 264.329 0.252 0 50 CCAA O=C(CN1CCOC[C@]12CCOC2)NCc1ccco1 193734546 AXWRMRGJZQNXLO-CQSZACIVSA-N 280.324 0.387 0 50 CCAA O=C1CCCC[C@H](C(=O)N2CC[C@]3(CCOC3)C2)N1 194303779 MBQFHYWONMAUBB-RISCZKNCSA-N 266.341 0.684 0 50 CCAA O[C@@H]1CCCCC[C@H]1n1cc(CN2CCOCC2)nn1 656467241 NIIPXDSLUYYVAN-ZIAGYGMSSA-N 280.372 0.976 0 50 CCAA COCc1nc(C(=O)NCc2cccc(OC)c2)n(C)n1 664241643 BBLOJMDGRJVBKH-UHFFFAOYSA-N 290.323 0.900 0 50 CCAA COCCN1CC[C@@H](CN(C)CC(=O)N2CCCCC2)C1 1529194774 COHQMAWNXQGRFD-HNNXBMFYSA-N 297.443 0.899 0 50 CCAA CC(C)(CO)NC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529195077 FQUQRMLSOCNDGO-OLZOCXBDSA-N 292.335 0.130 0 50 CCAA COCCN1CCC[C@H](CN(C)c2cncc(N)n2)C1 1857677507 FKHMOIPVTZCZKK-GFCCVEGCSA-N 279.388 0.853 0 50 CCAA Cn1nc(C(=O)NC[C@@H](CO)Cc2ccco2)nc1Cl 1857703220 YHOKMMZRWORQKB-QMMMGPOBSA-N 298.730 0.643 0 50 CCAA CC(C)c1cc(C(=O)N2CCOC[C@@H](C(=O)O)C2)no1 1800414518 RLARJBKAIXXSND-VIFPVBQESA-N 282.296 0.971 0 50 CCAA Cc1nn[nH]c1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704302775 CLENNMSPFOJWPE-VXGBXAGGSA-N 287.323 0.496 0 50 CCAA C[C@@H]1C(=O)N(CCCn2ccnc2)C(=O)N[C@@H]1C 1615545731 INHBQJWSDGDWMQ-VHSXEESVSA-N 250.302 0.850 0 50 CCAA CON(C)C(=O)CCN(C)CC(C)(C)CN(C)C 1616034372 DBDAKKFFQPROLE-UHFFFAOYSA-N 259.394 0.916 0 50 CCAA OCC[C@H]1CN(Cc2nc(-c3ccccc3)no2)CCN1 1616039222 YOMJDJASRKHJJY-ZDUSSCGKSA-N 288.351 0.893 0 50 CCAA Cc1ncc(CN(CCO)C(=O)CCCn2cncn2)[nH]1 1772705070 OWOPXMBTOBNPEF-UHFFFAOYSA-N 292.343 0.111 0 50 CCAA O=C(c1ccc(F)cc1)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772712994 YCHPEPMFOVDPOG-VXGBXAGGSA-N 265.284 0.499 0 50 CCAA CN1CCN(CCCNS(=O)(=O)c2ccccc2)CC1 20727756 SAZQMNBIFJGZBH-UHFFFAOYSA-N 297.424 0.602 0 50 CCAA CN(C)CCCNC(=S)C(=S)NCCCN(C)C 5688787 OOGWLZNMIJTRFD-UHFFFAOYSA-N 290.502 0.724 0 50 CCAA CC[C@]12COC(=O)N1CCN(C(=O)c1cncc(O)c1)C2 1857667368 QTEMWWUDTPDMBT-AWEZNQCLSA-N 291.307 0.844 0 50 CCAA Cc1cnnc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)c1C 1857723587 MIAAOMWXKXUWCH-TZMCWYRMSA-N 285.351 0.923 0 50 CCAA N[C@H]1CC[C@H](C(=O)NCc2cccc(O)c2)C[C@@H]1O 1857738632 QKIVFSAPVFYART-DRZSPHRISA-N 264.325 0.497 0 50 CCAA Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CO[C@H](C)CN2C1 1857741532 XEXURWDMIKTEMK-ZHAHWJHGSA-N 278.356 0.618 0 50 CCAA N[C@H]1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 237923994 BTSCIMRQGBZKID-QMMMGPOBSA-N 289.257 0.427 0 50 CCAA CC(=O)N1CCOC[C@H]1C(=O)NC1Cc2ccccc2C1 336439497 HRBLIVGHEJLLFD-HNNXBMFYSA-N 288.347 0.517 0 50 CCAA Cc1ccccc1OCCCN(C)C(=O)[C@@H]1C[C@H](O)CN1 253393012 VGFKVHIWNAONCJ-KBPBESRZSA-N 292.379 0.945 0 50 CCAA O=S(=O)(NCCc1nc[nH]n1)c1cccc2c1OCC2 585114864 CUFVENFMCCCXIX-UHFFFAOYSA-N 294.336 0.261 0 50 CCAA CC12CC(C(=O)NC3(c4nn[nH]n4)CC3)(C1)C(C)(C)O2 1875392701 OYTWHVJJKGRABQ-UHFFFAOYSA-N 277.328 0.653 0 50 CCAA C[C@@H]1CN(c2nc(N)nc(Cl)c2N)CC[S@@](=O)C1 912090326 QJMWRDKTRSVTFJ-FWCARGHBSA-N 289.792 0.499 0 50 CCAA CCN(C(=O)c1cc(C2CC2)nn1C)[C@H]1CCNC1=O 935823008 OJBBYWXYCCXWBP-NSHDSACASA-N 276.340 0.648 0 50 CCAA COc1cc(F)c(CN2C[C@H](O)C[C@H]2C(=O)O)c(F)c1 534589031 PRDMLDUSHMBTSV-KRTXAFLBSA-N 287.262 0.993 0 50 CCAA CCN1CC[C@H](N=c2nc(OC)cc(OC)[nH]2)C1 389313857 GJHSESOZKIWBLX-VIFPVBQESA-N 252.318 0.422 0 50 CCAA O=C(NC[C@]1(CO)CC[C@H]1CO)Nc1nccs1 2325772851 WRGXDCXOCRDRSX-KWQFWETISA-N 271.342 0.646 0 50 CCAA O=C1CC[C@H](CNC(=O)c2n[nH]cc2-c2ccncc2)N1 2325798087 MGOWNIHTXTXAMQ-SNVBAGLBSA-N 285.307 0.480 0 50 CCAA CCOC(=O)[C@@H]1CN(C(=O)[C@@H](N)[C@@H]2CC=CCC2)CCO1 2325829145 AGHFZOKTMLPKPV-AGIUHOORSA-N 296.367 0.461 0 50 CCAA COC[C@@]12COC[C@@H]1CN(C(=O)c1n[nH]cc1Cl)C2 2356135633 NFTMLEMRLSPJMH-UFBFGSQYSA-N 285.731 0.798 0 50 CCAA COCCCNC(=O)c1nc2ccccc2c(=O)[nH]1 4301874 MFZAAQJLJWBRRI-UHFFFAOYSA-N 261.281 0.689 0 50 CCAA Cc1cc2c(cc1NC(=O)COCC(=O)O)OCO2 6668253 YONZATMSFLMTKG-UHFFFAOYSA-N 267.237 0.763 0 50 CCAA CN1CCN(C(=O)c2ccccc2-c2ncn[nH]2)CC1=O 20860656 PBPUPGMTFZEKAN-UHFFFAOYSA-N 285.307 0.386 0 50 CCAA COC(=O)[C@@H]1C[C@H](O)CN1Cc1cccc(F)c1 135887331 LWZBRKLPAQJGKM-RYUDHWBXSA-N 253.273 0.934 0 50 CCAA O=C([C@H]1CCCCS1(=O)=O)N1CCOCC12CC2 328755494 SYKFAMSSKCTCSH-SNVBAGLBSA-N 273.354 0.345 0 50 CCAA CN1CCO[C@H](CNC(=O)CCC(=O)NC2CCCC2)C1 124877058 NUEDSNOTNFPFES-CYBMUJFWSA-N 297.399 0.272 0 50 CCAA Cn1cccc1C(=O)N1CCC[C@@](O)(Cn2ccnn2)C1 284510061 DPTYMJOUORVNQZ-AWEZNQCLSA-N 289.339 0.284 0 50 CCAA O=C1CC[C@@H](NC(=O)[C@@H]2CCc3ccccc3O2)C(=O)N1 334057957 WRWXLBWQAGPNQN-PWSUYJOCSA-N 288.303 0.302 0 50 CCAA Cc1n[nH]c(C)c1CNC(=O)CCC(=O)N(C)C 215371912 MGMKFYUKPKLOAO-UHFFFAOYSA-N 252.318 0.511 0 50 CCAA C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H](C)N1 153931539 MNNMJDMBLZEWAB-GHMZBOCLSA-N 253.346 0.208 0 50 CCAA Cn1nnc2cc(C(=O)NC[C@@H]3C[C@H](F)CN3)ccc21 368385608 PGKKYGPWZRAHHX-UWVGGRQHSA-N 277.303 0.398 0 50 CCAA CN(C)C[C@@]1(O)CCN(C(=O)c2cc(Cl)c[nH]c2=O)C1 72135379 WSONDGJRVRYXCD-ZDUSSCGKSA-N 299.758 0.167 0 50 CCAA COCc1cc(NCCN2CCOCC2)n2nccc2n1 72430757 WZDNFXDZKHTKGA-UHFFFAOYSA-N 291.355 0.620 0 50 CCAA COc1ccc([C@H](O)C(=O)NCC2(C)COC2)cc1 217361806 RELBYEQGRMYKOL-LBPRGKRZSA-N 265.309 0.881 0 50 CCAA N#CCc1cccc(C(=O)N2CCO[C@@H](C(=O)O)C2)c1 262918437 DSIDBAXPESHHQC-GFCCVEGCSA-N 274.276 0.678 0 50 CCAA O=C(NC[C@H]1COCCO1)c1cccc2c1OCCO2 49376950 NQELTNHHDHJGNC-JTQLQIEISA-N 279.292 0.603 0 50 CCAA Cc1ccc(-n2cc(C(=O)N3CC[C@H](CN)C3)nn2)cc1 178528997 HRWWPXNNSVAZJT-GFCCVEGCSA-N 285.351 0.997 0 50 CCAA Cc1cccn(CC(=O)N2CCCO[C@H](C)C2)c1=O 180150635 WIFNTLZJIFHRGM-GFCCVEGCSA-N 264.325 0.794 0 50 CCAA COc1cncnc1NC(=O)NC[C@@H]1CCCO1 294346414 YUYLBDGPYFCYKU-QMMMGPOBSA-N 252.274 0.786 0 50 CCAA Cc1ccc(N2C[C@H](C)N(C(=O)CN)CC2=O)cc1 91713608 NOYXCYQHSXUGMC-NSHDSACASA-N 261.325 0.517 0 50 CCAA Cc1cc(C(=O)N2CCC[C@H]2C(=O)O)c2cnn(C)c2n1 237844008 QJYNDSTXZRMZDW-NSHDSACASA-N 288.307 0.966 0 50 CCAA COCCNC(=O)N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1 244700846 JVCVEVIZTYNIMZ-AVGNSLFASA-N 285.388 0.071 0 50 CCAA O=C(c1cnc[nH]1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 244795526 RHYPKUJPFSIVGN-RYUDHWBXSA-N 264.329 0.081 0 50 CCAA CC[C@H](NC(=O)Cn1ccccc1=O)c1ncnn1C 534589950 AQAOOUSGYLOBJL-JTQLQIEISA-N 275.312 0.244 0 50 CCAA CO[C@H]1CN(C)C[C@@H]1NC(=O)CCCc1cn[nH]c1 534653097 IKRCAWBSMCTTCE-RYUDHWBXSA-N 266.345 0.178 0 50 CCAA CC(C)c1nc(CN2Cc3[nH]cnc3C[C@@H]2C(=O)O)no1 534631041 KKMWORXBMWTAHZ-SNVBAGLBSA-N 291.311 0.928 0 50 CCAA NOCCOCCOCCOCCOCC(F)(F)F 575419731 PQVCKGCTWRTZFK-UHFFFAOYSA-N 291.266 0.505 0 50 CCAA CN(C)[C@@H]1C[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2C1 828321127 GKUVTTWQFBDCFC-RDBSUJKOSA-N 293.411 0.986 0 50 CCAA Cc1ccc(NCCCNC(=O)[C@H]2C=CCN2)nc1 827690920 MWLDCBYCSIXHIX-GFCCVEGCSA-N 260.341 0.836 0 50 CCAA CC(C)n1cnnc1[C@@H](C)NC(=O)Cn1cccnc1=O 827861405 HPLNVVVGIGVHRP-SNVBAGLBSA-N 290.327 0.293 0 50 CCAA Cc1cc(C[C@@H](C)NC(=O)CCS(C)(=O)=O)n[nH]1 821439092 RBESGYRJLNPTAG-MRVPVSSYSA-N 273.358 0.200 0 50 CCAA C[C@H](NC(=O)CNC(=O)c1ccccc1)c1nncn1C 584889523 FYRHIJZMWRVDGO-JTQLQIEISA-N 287.323 0.422 0 50 CCAA COc1nc(NC[C@H]2CC(=O)N(C)C2)ncc1F 824845832 UJCPIDMLLXVZMP-SSDOTTSWSA-N 254.265 0.515 0 50 CCAA COCCN(C)CC(=O)N(C)Cc1cn(C)nc1C 584890286 CGPLWKDCISFUGU-UHFFFAOYSA-N 268.361 0.265 0 50 CCAA Cc1nc(N(C)C)nc(N(C)Cc2nncn2C)c1C 670446961 BJFOROMLUPCPAD-UHFFFAOYSA-N 275.360 0.924 0 50 CCAA CN(C)C(=O)CN1CCC[C@H](CNC(=O)c2ccoc2)C1 952869741 NWRDRHLODXEAFN-GFCCVEGCSA-N 293.367 0.810 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N(C)Cc2ccon2)C1=O 886074677 MWTUDSVIWIROFX-GFCCVEGCSA-N 295.339 0.661 0 50 CCAA CO[C@H]1CCCCN(CC(=O)Nc2nnc(C)n2C)C1=O 888075997 MRTHRVXPRKBMDV-JTQLQIEISA-N 295.343 0.090 0 50 CCAA CN1CCN(C)CCN(C(=O)NCc2nccs2)CC1 892110707 PYLYWYUPDUHKLP-UHFFFAOYSA-N 297.428 0.532 0 50 CCAA CCCn1ccnc1CN1CC[C@@H](CO)[C@@H](O)C1 1565514615 XNYQGKXUOUYZKE-RYUDHWBXSA-N 253.346 0.468 0 50 CCAA CN(C)C[C@]1(O)CCCN(c2ncnc3[nH]ccc23)C1 631343266 ABRWPKCEZRRXCW-CQSZACIVSA-N 275.356 0.851 0 50 CCAA CO[C@@H]1CCC[C@H]1S(=O)(=O)NCc1cc(C)no1 631800877 QRTCUDAVVNMSEC-GHMZBOCLSA-N 274.342 0.970 0 50 CCAA CN1CCN(C(=O)c2ccccn2)C[C@@H]1c1nccn1C 276567356 GSDYCJKAZHWUGF-CYBMUJFWSA-N 285.351 0.944 0 50 CCAA CCCCN1CCOC[C@@H]1C(=O)N1CCC[C@@H](O)CC1 408177024 ICWZSGSOOWZMMQ-ZIAGYGMSSA-N 284.400 0.861 0 50 CCAA CC[C@@]1(C)CN(C(=O)NCCCn2ccnn2)CCO1 188265087 LXWGLWAUDVQQRU-ZDUSSCGKSA-N 281.360 0.879 0 50 CCAA C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CCN1 188387258 DNDHECRJTRHIOP-VGMNWLOBSA-N 293.289 0.264 0 50 CCAA C[C@@H]1C[C@H](N2CCOCC2)CN1CCc1cnccn1 639641535 KTTRJLPLAQJGEZ-HIFRSBDPSA-N 276.384 0.814 0 50 CCAA Cc1c(NS(=O)(=O)N(C)C)nnn1-c1ccc(F)cc1 585129247 CNHYRAHXBMIWGO-UHFFFAOYSA-N 299.331 0.933 0 50 CCAA C[C@@H](CN(C)c1nccnc1N(C)C)N1CCOCC1 1506398811 FVOJLPHIAZFLPV-LBPRGKRZSA-N 279.388 0.700 0 50 CCAA NS(=O)(=O)C1CCN(Cc2ccncc2Cl)CC1 330503130 CDEWZZWIRKVQMD-UHFFFAOYSA-N 289.788 0.988 0 50 CCAA CC(C)S(=O)(=O)CC(=O)N=c1sccn1C 254709029 ZTMSNVKPAQENKT-UHFFFAOYSA-N 262.356 0.337 0 50 CCAA CCN1C[C@H](C)[C@H](NS(=O)(=O)C[C@H]2CCCCO2)C1 257366241 OVRHXNZGMZLQJA-YNEHKIRRSA-N 290.429 0.815 0 50 CCAA CNS(=O)(=O)N[C@]1(C)CCCC[C@@H]1C(=O)O 1610147336 PLKIYBPVISTZEX-VXNVDRBHSA-N 250.320 0.074 0 50 CCAA O=C(C[C@@H]1CCCCO1)N1CC[C@@](F)(C(=O)O)C1 263250438 HDJYDMVJPQSFQP-CABZTGNLSA-N 259.277 0.971 0 50 CCAA CNC(=O)Cn1c(Cc2ccc(F)cc2)noc1=O 1857533302 BGYIUQKRIJLTBH-UHFFFAOYSA-N 265.244 0.312 0 50 CCAA CCc1ncnc(N2C[C@@H]3[C@@H](C2)C3(CO)CO)c1F 1772818431 FBEKTYCYPIVTOQ-RKDXNWHRSA-N 267.304 0.215 0 50 CCAA COc1ccc(CCN2C[C@@H](CN)OCC2=O)cc1 11884519 OXIHCHUWGYSWEC-CYBMUJFWSA-N 264.325 0.424 0 50 CCAA CN(C)CCNC(=O)CN(c1ccccc1)S(C)(=O)=O 13646999 BYGWGZPJTHIJEP-UHFFFAOYSA-N 299.396 0.130 0 50 CCAA O[C@@H]1CO[C@@H]2[C@H](Nc3ncnc4ccsc34)CO[C@H]12 1857710931 BNQMRKDLBXZHKA-ZYUZMQFOSA-N 279.321 0.630 0 50 CCAA CC1CCN(CCN2CCO[C@@H](c3nncn3C)C2)CC1 328655839 YUIWMJCFIOTPFC-CQSZACIVSA-N 293.415 0.920 0 50 CCAA C[C@H]1OCC[C@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 331916165 LHLVKXYKZOIEGX-PSASIEDQSA-N 281.312 0.906 0 50 CCAA Cc1nn(CC(=O)NC2CCNCC2)c2ncccc12 911629626 YFRSRICCUJOEIW-UHFFFAOYSA-N 273.340 0.608 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cc[nH]c1 818310295 UFQIHEBOHCDSOT-GFCCVEGCSA-N 252.270 0.721 0 50 CCAA O=c1c2cnn(C3CC3)c2ncn1Cc1csnn1 919330751 LSWGTYHUXWKYFU-UHFFFAOYSA-N 274.309 0.828 0 50 CCAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1ccnn1 252718074 CZBFIBRXYQUSNI-AXFHLTTASA-N 278.312 0.522 0 50 CCAA CCN(Cc1[nH]cnc1C)[C@@H]1CCS(=O)(=O)C1 65453174 KQNMPLDZXLUQIF-SNVBAGLBSA-N 257.359 0.727 0 50 CCAA CO[C@H]1COCC[C@@H]1Nc1ccc(C(=O)N(C)C)cn1 312321209 DYCQOHZSHVNDBY-RYUDHWBXSA-N 279.340 0.999 0 50 CCAA CN1CCO[C@@H](C(=O)N2CCC(C3(O)CC3)CC2)C1 652663929 TYCRLQYMCSOZSX-GFCCVEGCSA-N 268.357 0.081 0 50 CCAA O=C(O)[C@@H]1C[C@H](NC(=O)N2CCSCC2)[C@H]2C[C@H]21 1602197425 GVCHFJZPODUFEE-RGOKHQFPSA-N 270.354 0.854 0 50 CCAA COC(=O)C1(NC(=O)C[C@H]2CO[C@@H](CN)C2)CCCC1 2325780230 QTUZFQSXWPKFSM-WDEREUQCSA-N 284.356 0.342 0 50 CCAA CC1(C)[C@@H](CN)C[C@H]1NC(=O)c1nccn2nccc12 2325800022 HOKDEAKDGLOPCR-MWLCHTKSSA-N 273.340 0.833 0 50 CCAA Cn1[nH]c(C(=O)NC2CCC3(CC2)C[C@H]3N)cc1=O 2332237527 BXKBOOAINPWEDZ-MDGUTJNFSA-N 264.329 0.103 0 50 CCAA O=C(c1cn[nH]c1)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 111239440 LCMGUOSRKPYJFE-SECBINFHSA-N 277.202 0.889 0 50 CCAA O=C(O)CCCC(=O)N1CCN(c2ncccn2)CC1 157229 XEKCHYPXTVYOPL-UHFFFAOYSA-N 278.312 0.380 0 50 CCAA Cc1ncc(C(=O)N2CCC[C@@]23CCCN(C)C3=O)[nH]1 2356142160 GZYXIGWXXBFOEP-CQSZACIVSA-N 276.340 0.945 0 50 CCAA CC(C)(CO)[C@H](O)C(=O)N[C@@H]1CCC[C@H](C(=O)O)C1 3143808 YWSFEKQJLZGRIO-IVZWLZJFSA-N 273.329 0.125 0 50 CCAA NC1=NC(=O)[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2)S1 9319797 WMNGKZGRTLSGRP-MRVPVSSYSA-N 293.304 0.670 0 50 CCAA NC(=O)[C@@H]1CN(C(=O)Nc2cc(F)ccc2F)CCO1 51583428 YVRQEHZIOSVVIM-JTQLQIEISA-N 285.250 0.683 0 50 CCAA O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccncc1 100501160 ZJIJZZVOWVCKJT-BJDJZHNGSA-N 283.287 0.534 0 50 CCAA COc1nc(SC(C(C)=O)C(C)=O)nc(N(C)C)n1 100135148 ZJPJYIVNMOETEB-UHFFFAOYSA-N 284.341 0.585 0 50 CCAA NCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 20745006 FOTXPBSZVRWJAT-VIFPVBQESA-N 265.288 0.254 0 50 CCAA O=C(CCn1ccnn1)N1CCC[C@H](Cn2cncn2)C1 328682738 OVACLHOQRSBVSY-LBPRGKRZSA-N 289.343 0.199 0 50 CCAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCN)C[C@@H](C)O1 237509538 GWECDHHUUJRMAP-UPJWGTAASA-N 269.389 0.435 0 50 CCAA C[C@]1(C(=O)N2CCC[C@H](Cn3cncn3)C2)CCNC1 237795060 QCXCURUMPZDKTI-JSGCOSHPSA-N 277.372 0.516 0 50 CCAA O=C1Nc2ccc(Cl)cc2C(=O)N2C[C@H](O)C[C@@H]12 33835274 YSORAONKVRRCEC-XCBNKYQSSA-N 266.684 0.868 0 50 CCAA O[C@@]1(c2c[nH]nn2)CCN(c2nc3ccccc3[nH]2)C1 284652908 VMKDCWAHURZKIA-ZDUSSCGKSA-N 270.296 0.779 0 50 CCAA CC[C@H](N)C(=O)N(C)CCc1noc(C(C)C)n1 219016343 HAPUXGZFDYXUHR-VIFPVBQESA-N 254.334 0.931 0 50 CCAA CC(C)Oc1ccc(CNC(=O)[C@@H]2CN(C)CCO2)cn1 174656985 QYQMJXUDBKPNPV-ZDUSSCGKSA-N 293.367 0.816 0 50 CCAA CC(=O)NCCNC(=O)c1cn2cc(C)ccc2n1 216109139 OYJGTGMTSDUBFM-UHFFFAOYSA-N 260.297 0.509 0 50 CCAA CCc1cc(C(=O)N2CCOC[C@H]2c2noc(C)n2)n[nH]1 364732184 XFXQFFAXWCWVPS-NSHDSACASA-N 291.311 0.877 0 50 CCAA COc1cc(N2CCC[C@@H]2Cn2ccnc2)nc(N)n1 32580898 IOPILCHVKSNNBG-SNVBAGLBSA-N 274.328 0.933 0 50 CCAA Cc1cnn(C)c1S(=O)(=O)N1CC[C@@](C)(C(=O)O)C1 262134131 ONCLEDGPAFQQQM-LLVKDONJSA-N 287.341 0.214 0 50 CCAA Cc1nc(CN(C)[C@@H]2CCN(C(=O)C3(C)COC3)C2)no1 374678243 LASRKDPVRXMUNN-LLVKDONJSA-N 294.355 0.447 0 50 CCAA c1cn2c(CN3CCC[C@@H]3Cn3cncn3)cnc2cn1 375829923 LNHPQNUXWUDLLU-GFCCVEGCSA-N 283.339 0.985 0 50 CCAA CN(C)C(=O)NCC(=O)NCCc1cscn1 216396726 YWVRBUHDIOWQBP-UHFFFAOYSA-N 256.331 0.073 0 50 CCAA CC(=O)N1CC[C@@H](C(=O)NCc2nnc3ccccn23)C1 175759726 RALVTTZSPDPBPM-LLVKDONJSA-N 287.323 0.214 0 50 CCAA O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)CN1Cc2ccccc2C1 426551404 YBLKRIUXMIELAE-OLZOCXBDSA-N 290.319 0.049 0 50 CCAA CN(C)C(=O)c1ccc2c(c1)nc(N1CC[C@H](O)C1)n2C 95379156 YEKYACPQNKDGKX-NSHDSACASA-N 288.351 0.846 0 50 CCAA O=C(O)c1ccccc1CN1CCN([C@@H]2CCNC2)CC1 97759242 OGUWCBGXYBGQRQ-CQSZACIVSA-N 289.379 0.864 0 50 CCAA Cc1cc(C)n(Cc2nc([C@H]3CCOC3)no2)c(=O)n1 96139166 YVWCZUPNDFNTHS-JTQLQIEISA-N 276.296 0.795 0 50 CCAA Cc1nc(-c2ccc(N(C)CCO)cc2)n(CCO)n1 96148502 KZZWRYXJWRMHAU-UHFFFAOYSA-N 276.340 0.674 0 50 CCAA COCCC[C@@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 91724349 GGYRVOOZKFZVOU-ZDUSSCGKSA-N 282.344 0.446 0 50 CCAA CC(C)c1nc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)no1 244678766 IJRBFFXOGYIDOR-RYUDHWBXSA-N 296.371 0.070 0 50 CCAA O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)NC1CC1 242574926 NJUAPHDAYSTOMW-AXFHLTTASA-N 251.330 0.054 0 50 CCAA Cc1noc(CN(C)C(=O)COC[C@H]2CCCO2)n1 244900155 ZXABLWZZJCPTOD-SNVBAGLBSA-N 269.301 0.532 0 50 CCAA CC[C@H](C(=O)NCc1nnc(N)s1)N1CCCC1 534578193 XZAKRYPYPQYPOK-MRVPVSSYSA-N 269.374 0.611 0 50 CCAA O=C(O)C[C@H]1CN(C(=O)c2ccco2)C[C@H]1c1c[nH]nn1 299786785 NINALTSNUWBOTP-DTWKUNHWSA-N 290.279 0.728 0 50 CCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3ccccc3n2)CN1 299766843 SNBJPFBZWMFBAW-RISCZKNCSA-N 299.330 0.868 0 50 CCAA Cc1cc(C[C@H](C)NC(=O)Nc2cn(C)nn2)[nH]n1 299757418 JLNQFTSVFNXAJG-ZETCQYMHSA-N 263.305 0.599 0 50 CCAA Cc1nnc(SCCNC(=O)[C@@H](C)n2cncn2)s1 827654771 JPRWHMBABFBXHO-SSDOTTSWSA-N 298.397 0.908 0 50 CCAA Nc1nc(NCCCN2CCC[C@@H](O)C2)c2ncnc-2[nH]1 828627453 XWKCOZWOSPSGDW-SECBINFHSA-N 291.359 0.145 0 50 CCAA CC[C@H](NC(=O)NCc1nn[nH]n1)c1ncc(C)[nH]1 670469142 JFVASZMLWVCILN-ZETCQYMHSA-N 264.293 0.182 0 50 CCAA Cc1csc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 867822991 VEYCTRDVYDKGDY-BDAKNGLRSA-N 277.367 0.173 0 50 CCAA NCC1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551538155 SIEDVIGWGWSGEG-HUUCEWRRSA-N 288.395 0.991 0 50 CCAA O=C(Nc1cnc(N2CCNCC2)nc1)[C@@H]1CCCO1 1875270236 WUGKQUZQLSZFHZ-NSHDSACASA-N 277.328 0.004 0 50 CCAA O=C1CCCN1CCCN1CCc2c(O)nc(O)nc2C1 1875308264 WZILWUMXRYCVFL-UHFFFAOYSA-N 292.339 0.258 0 50 CCAA C=CC(=O)NC1CC(NC(=O)c2cccc(C)n2)C1 1875371347 XVMMSCZQFCQBHU-UHFFFAOYSA-N 259.309 0.953 0 50 CCAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)c1n[nH]c2c1CCC2 886721370 XASQFAKKSLLOII-LBPRGKRZSA-N 290.367 0.933 0 50 CCAA COc1cncc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)n1 887001970 DHMMEQHMBDSIHY-GHMZBOCLSA-N 293.323 0.145 0 50 CCAA C=CC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 899226694 WXUKGIPZTIAGJX-UHFFFAOYSA-N 274.328 0.166 0 50 CCAA Cc1nnc(N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)nc1C 1775960406 JYIFBWYMEHNSTE-GHMZBOCLSA-N 289.343 0.615 0 50 CCAA CCn1ncnc1CN1C[C@@H](C(=O)O)C2(CCOCC2)C1 1777019456 BVJAVIFFMPPWBH-NSHDSACASA-N 294.355 0.611 0 50 CCAA Cn1ccc(C(=O)N2CC[C@H](c3cc(O)nc(=N)[nH]3)C2)c1 630723909 QYYVATRYARRAAE-VIFPVBQESA-N 287.323 0.563 0 50 CCAA COC[C@@H]1CN(c2nc(C)nc(N)n2)C[C@H](C)O1 631233820 MTOPZAIBVOKWGD-CBAPKCEASA-N 253.306 0.002 0 50 CCAA Cc1cc(N2CCC[C@](O)(CN(C)C)C2)nc(C)n1 585092048 CJCSIVMIIHQAQJ-AWEZNQCLSA-N 264.373 0.986 0 50 CCAA CCc1ncnc(N2CCN3C(=O)NC[C@@H]3C2)c1F 301962683 NAQNJKPZDMKARV-MRVPVSSYSA-N 265.292 0.392 0 50 CCAA CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cncn2C)C1 1362229998 OADQXMNINHVIIW-JSGCOSHPSA-N 276.384 0.905 0 50 CCAA CCc1cc(N2CCN3C(=O)OC[C@H]3C2)nc(N(C)C)n1 1704331091 KMYBEAFYSLNTRY-LLVKDONJSA-N 291.355 0.746 0 50 CCAA O=C1[C@@H](O)CCCCN1CC(=O)N1CCCCCO1 644446839 KKOVXDUMSHQKIC-NSHDSACASA-N 270.329 0.304 0 50 CCAA Nc1ccccc1C(=O)NCCCN1CCOCC1 20267959 KSMWTQOZWOIFAK-UHFFFAOYSA-N 263.341 0.721 0 50 CCAA in-vitro CC(C)COC(=O)[C@@H](C)Nc1n[nH]c(=S)[nH]c1=O 13555566 KABRUIQEKSGTTQ-ZCFIWIBFSA-N 272.330 0.827 0 50 CCAA CCOC(=O)N1CCC(N2CCN(C)CC2)CC1 19635970 NXOOFCUKZSAVMS-UHFFFAOYSA-N 255.362 0.855 0 50 CCAA O=C1NCCC[C@]12CN(c1ccncc1)CC[C@@H]2O 1857704206 IJEJWXHHYUQJQU-GXTWGEPZSA-N 261.325 0.549 0 50 CCAA CN(CCN(C)C1CC1)C(=O)COCc1nccn1C 408517948 QGTKFIZPUNBYTE-UHFFFAOYSA-N 280.372 0.489 0 50 CCAA CC(C)c1nnc(C(=O)NCc2cnn(C)c2N)s1 225665809 XEWDHFQRIQPDFM-UHFFFAOYSA-N 280.357 0.907 0 50 CCAA CO[C@@H]1CN(c2nc(C)nc(C)c2F)C[C@H]1c1cnn[nH]1 621336918 DCNNADKAHXPWED-GXSJLCMTSA-N 292.318 0.969 0 50 CCAA N[C@H](CC(=O)N(C[C@@H]1CCCN1)C1CC1)C1CC1 328655438 YKLJOCADAJLRCB-WCQYABFASA-N 251.374 0.857 0 50 CCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc(CO)c1 336093034 WLQBGQTVBVTAKQ-CABZTGNLSA-N 262.309 0.576 0 50 CCAA O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)[C@H]1COCCN1 246529061 RTKKJZSVMFUPLL-YNEHKIRRSA-N 264.300 0.786 0 50 CCAA COc1ccc(CN[C@@H](C)C[C@H]2COCCN2)cn1 133470331 CGKHEMBCSPCMFO-AAEUAGOBSA-N 265.357 0.947 0 50 CCAA CCC1CCN(S(=O)(=O)N2CC[C@@H]3CNC[C@@H]32)CC1 903504558 WGTKJXKTALGVBU-OLZOCXBDSA-N 287.429 0.647 0 50 CCAA CC(C)(C)OC(=O)N1CCC[C@@]2(C1)NCCNC2=O 1857780482 KBHSVLIMZHKKFE-ZDUSSCGKSA-N 269.345 0.476 0 50 CCAA NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21 408271464 WVZGRJWQRABVGN-WYUUTHIRSA-N 286.397 0.702 0 50 CCAA C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@]1(C)C(=O)O 630304494 JDNIIWJMTMUWSN-NOZJJQNGSA-N 265.313 0.532 0 50 CCAA CN1CCC(CC(=O)N2CCC[C@@H]2c2nn[nH]n2)CC1 900395698 KCSXSVMQUDAZOV-LLVKDONJSA-N 278.360 0.595 0 50 CCAA CN(C)[C@@H](CNc1[nH]c(=N)[nH]c2ncnc1-2)C1CC1 2325735156 GXLYMGPXOBJZDY-QMMMGPOBSA-N 261.333 0.469 0 50 CCAA COCCN(Cc1ccc(C)o1)C(=O)[C@H](F)C(=O)O 2325803084 PEFXIQJUTQILTH-JTQLQIEISA-N 273.260 0.986 0 50 CCAA O=C(N[C@H](CO)[C@H](O)c1ccccn1)[C@@H](O)C1CCCC1 2325850285 SZZLZLMVVXLFFL-HZSPNIEDSA-N 294.351 0.143 0 50 CCAA CCn1ccc(C(=O)N2CCN(c3ncccn3)CC2)n1 6699844 KUWJEOAXGOAETA-UHFFFAOYSA-N 286.339 0.655 0 50 CCAA Cc1nn(C)c(N)c1[C@@]1(O)C(=O)Nc2ccc(F)cc21 170625883 YPOZGKHPMIDGTQ-CYBMUJFWSA-N 276.271 0.638 0 50 CCAA CN1C[C@@]2(CCCN(Cc3ncc[nH]3)C2)OC1=O 215644092 VGJTVZKPHPKBFL-GFCCVEGCSA-N 250.302 0.826 0 50 CCAA CO[C@H]1C[C@@H](C(=O)NCCc2ccccn2)N(C)C1 330549573 WWVHLZUDKCPWKC-STQMWFEESA-N 263.341 0.459 0 50 CCAA CCC[C@H]1C[C@H]1NC(=O)c1cnc(COC)[nH]c1=N 331960762 LNAKQAWQMSETRA-WCBMZHEXSA-N 264.329 0.954 0 50 CCAA COCc1cccc(S(=O)(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1 368056503 BTBUSDUUSAEKGN-WDNDVIMCSA-N 297.376 0.692 0 50 CCAA CSC[C@H](C)C(=O)N1CCOC[C@@H]1CC(=O)O 261542258 OISIOCPODCAFGS-IUCAKERBSA-N 261.343 0.688 0 50 CCAA COc1cccc2c(=O)n(CCN3CCOCC3)cnc12 32541556 YOZQDFKMUMNYPH-UHFFFAOYSA-N 289.335 0.737 0 50 CCAA C[C@](O)(CNC(=O)[C@@H]1C[C@@]12CCc1ccccc12)C(=O)O 262485040 ILIBMYSJQGPOLZ-VBNZEHGJSA-N 289.331 0.842 0 50 CCAA Cc1noc(C2CCN(C(=O)[C@@H]3C[C@H]3C(=O)O)CC2)n1 262659292 UBYMNEGJQHVWHR-NXEZZACHSA-N 279.296 0.805 0 50 CCAA COc1ccccc1[C@@H](O)CNC(=O)[C@H]1CSCN1 178029008 BSUFWCHLHHFZMA-MNOVXSKESA-N 282.365 0.507 0 50 CCAA C[C@@H]1Cc2cc(C(=O)NCc3n[nH]c(=O)[nH]3)ccc2O1 220105466 IBUAEJUBXLBPRT-SSDOTTSWSA-N 274.280 0.351 0 50 CCAA Cc1cccc(N2C(=O)C[C@H](N3CCN(C)CC3)C2=O)c1 95532294 OFNTUMGBDXHIMB-AWEZNQCLSA-N 287.363 0.874 0 50 CCAA CCN(C)S(=O)(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 91908530 HTAJPSDMZDBQPR-VHSXEESVSA-N 276.358 0.226 0 50 CCAA CC(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 238166454 JWFGCDQXXPBXRH-ZJUUUORDSA-N 259.302 0.777 0 50 CCAA Cc1nccn1CCC(=O)N[C@H](C)Cn1cncn1 244673877 HXGVTYUHBOMTFZ-SNVBAGLBSA-N 262.317 0.378 0 50 CCAA COCC(=O)N[C@@H](c1cncc(OC)c1)[C@H]1C[C@@H](O)C1 244873418 WQAMESJZOAXETQ-OLUVUFQESA-N 280.324 0.665 0 50 CCAA Nc1nc(-c2ccccc2)c2c(C(=O)O)cc(=O)[nH]n12 253495712 OODVUPKTPGOKOL-UHFFFAOYSA-N 270.248 0.970 0 50 CCAA Cc1cnc(CNC(=O)c2cnc3cnn(C)c3c2)cn1 1940198171 RWXPEEDNKNJAEH-UHFFFAOYSA-N 282.307 0.997 0 50 CCAA CNC(=O)[C@H](NS(=O)(=O)N1CCCC1)c1ccccc1 823813572 OVPLMCUWAFTYFG-GFCCVEGCSA-N 297.380 0.404 0 50 CCAA CCCCN1CCN(C(=O)c2cnc(N)s2)CC1=O 584898569 UOMOAMDJBANBFM-UHFFFAOYSA-N 282.369 0.810 0 50 CCAA Nc1nc(CCNC(=O)C[C@H]2CCOC2)cs1 584894786 VTKWSANISPDRDQ-MRVPVSSYSA-N 255.343 0.811 0 50 CCAA Cc1nonc1CNC(=O)[C@H]1CSC(C)(C)C(=O)N1 584892399 PYGILKNFXKBTBV-MRVPVSSYSA-N 284.341 0.004 0 50 CCAA C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)O 630173125 UKFDAUPQPYPZQQ-PSASIEDQSA-N 251.286 0.664 0 50 CCAA CC(=O)N1CCN(Cc2coc(C(C)C)n2)C[C@H](O)C1 670452081 WQNIAZNZEOTDNS-ZDUSSCGKSA-N 281.356 0.823 0 50 CCAA COc1cc(NC(=O)N[C@@H](CO)CC2OCCO2)ccn1 952882630 GVJQOMMVHNHDKX-SNVBAGLBSA-N 297.311 0.336 0 50 CCAA O=C(NCC1(CO)CC1)c1cc(-c2ccncc2)[nH]n1 1875293688 ZIEWFHYTEWQYRQ-UHFFFAOYSA-N 272.308 0.974 0 50 CCAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H]2CCO)CC1 1875365536 UWHJMFOEGWPWQQ-CYBMUJFWSA-N 280.368 0.784 0 50 CCAA COC(=O)C(=O)CC(=O)c1c(C)nc2ccccn12 1875391221 HLWGBGFRFWWHBZ-UHFFFAOYSA-N 260.249 0.958 0 50 CCAA CCC1CCN(S(=O)(=O)NCC2=NOCC2)CC1 1775990451 MGKJCVVZIVLZJP-UHFFFAOYSA-N 275.374 0.719 0 50 CCAA O=C(CCc1n[nH]c2c1CCCC2)N[C@H]1CCOC[C@@H]1O 1565525163 MIYAGRHFMKWAJW-KBPBESRZSA-N 293.367 0.487 0 50 CCAA O=C(O)[C@@H]1CC[C@@H]1S(=O)(=O)N[C@@H]1CC=CCC1 1465111117 SDHBOLCTEWPMAE-BBBLOLIVSA-N 259.327 0.878 0 50 CCAA CCN1CCCN(CC(=O)NC[C@H]2CCCO2)CC1 249695534 QXHCESIDSGRJAI-CYBMUJFWSA-N 269.389 0.309 0 50 CCAA CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@H](C(=O)O)C1 1574169806 KQSMJSJWLAICFF-AEJSXWLSSA-N 277.342 0.290 0 50 CCAA CC(C)[C@@]1(O)CN(C(=O)Cc2cc(O)nnc2O)C[C@@H]1C 1073357378 QINCFWMIXLKVLB-XPTSAGLGSA-N 295.339 0.296 0 50 CCAA Cc1cc(C)nc(N2CCO[C@@H](Cn3cncn3)C2)n1 595891944 VILIYKSIBAHWCT-GFCCVEGCSA-N 274.328 0.590 0 50 CCAA C[C@@H]1CCN(S(=O)(=O)N2Cc3c[nH]nc3C2)C1 632565709 ASOXUOGAYKWHGO-MRVPVSSYSA-N 256.331 0.312 0 50 CCAA COCC(=O)N1C[C@H](NC(C)=O)CC[C@H]1C(F)(F)F 408061957 XRNUCHVAVITLGL-BDAKNGLRSA-N 282.262 0.691 0 50 CCAA Cc1nc(S(=O)(=O)NC(=O)[C@H]2C[C@H]2C(C)C)cn1C 408505768 YDGRHSYPYLINHD-UWVGGRQHSA-N 285.369 0.826 0 50 CCAA O=C(Cc1cc(F)ccc1F)NCCCN1CCNCC1 170047973 MEPHIIJQHWKUJF-UHFFFAOYSA-N 297.349 0.919 0 50 CCAA C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nccc1C(N)=O 170619682 BKYKZPVBTCCNMA-NXEZZACHSA-N 264.329 0.772 0 50 CCAA CCn1nc(C)c(C(=O)NC[C@H](CO)[C@@H]2CCOC2)c1C 280880665 ZKZSNEDWHWMCHC-CHWSQXEVSA-N 295.383 0.895 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)c1cc(C)n(C)n1 643849091 SLYIRAIWJGVRTK-ZDUSSCGKSA-N 281.312 0.434 0 50 CCAA O=C(Cn1nc2n(c1=O)CCCC2)Nc1cccnc1 649565153 BFHPXNBSOHZREU-UHFFFAOYSA-N 273.296 0.415 0 50 CCAA O=C(O)[C@H]1CCN(C(=O)Cc2cn3c(n2)CCCC3)C1 652065005 IEYFQPPBVBSDRS-JTQLQIEISA-N 277.324 0.695 0 50 CCAA CC(C)(C)[C@@H]1CCN(CC(=O)N=S(C)(C)=O)C[C@@H]1O 585117035 PMHGJQTZPYKISU-MNOVXSKESA-N 290.429 0.970 0 50 CCAA CCn1nccc1CCN1CCC[C@](O)(c2cnn[nH]2)C1 794052152 XECCHFGDJUQDMH-CQSZACIVSA-N 290.371 0.547 0 50 CCAA CC[C@@H]1CN(C(=O)c2n[nH]c(O)n2)CCN1C(C)C 1529178892 UEZPVVVJSZXJOJ-SECBINFHSA-N 267.333 0.455 0 50 CCAA O=C(O)[C@@H]1CCN(c2cncc(C(=O)N3CCCC3)n2)C1 1704309216 KQRCMKYRPFDASH-SNVBAGLBSA-N 290.323 0.624 0 50 CCAA Cc1cc(COCC(=O)N2C[C@H]3CCC[C@]3(N)C2)no1 1615554865 VVBUJOYZKBAQIM-RISCZKNCSA-N 279.340 0.839 0 50 CCAA O=C(O)COc1ccc(CN2C[C@H](O)[C@@H](F)C2)cc1 1615696948 RDDDJJKFEKUAEE-RYUDHWBXSA-N 269.272 0.665 0 50 CCAA CCCN(C(=O)c1cnn(C)c1)[C@H]1CC(=O)N(C)C1=O 330428046 JLVUBZNXVYDAEJ-JTQLQIEISA-N 278.312 0.030 0 50 CCAA Cn1nccc1COCC(=O)N1CCC[C@@H](CCN)C1 580190671 GMRANOWKWXHUQW-LBPRGKRZSA-N 280.372 0.524 0 50 CCAA COC1(C(=O)N2C[C@H](C)O[C@H](C)C2)CCNCC1 163359077 GTDSVNYOFRPAOU-PHIMTYICSA-N 256.346 0.391 0 50 CCAA COC(=O)[C@@H]1C[C@H](N)CN1C(=O)OCc1ccccc1 15020695 DMYAHNRIJNKMAH-RYUDHWBXSA-N 278.308 0.898 0 50 CCAA O=C(O)COCCOCCOCCBr 200460467 MNTZZZWRXHWCSC-UHFFFAOYSA-N 271.107 0.516 0 50 CCAA Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H](C)N 157733898 RLDMJRQGILGPAQ-SECBINFHSA-N 264.329 0.512 0 50 CCAA CCNc1ncc(C(=O)N2CC[C@@H]3CNC[C@@H]32)cn1 248276147 YLCWSCNWZZHFOP-KOLCDFICSA-N 261.329 0.342 0 50 CCAA CCOc1cccc(CC(=O)N[C@@H]2CCCNC2=O)n1 797846900 UNUCHYNFXGNMMV-LLVKDONJSA-N 277.324 0.418 0 50 CCAA CCc1onc(C)c1C(=O)N1C[C@@H](CO)O[C@H](C)C1 187885260 URVKIZWBGPGXPP-SCZZXKLOSA-N 268.313 0.767 0 50 CCAA CC(C)(C)c1nnc(CNC(=O)NCC(=O)O)s1 521297261 YPUJTLKKAJZGLB-UHFFFAOYSA-N 272.330 0.719 0 50 CCAA Cn1nnnc1[C@H]1CN(Cc2cccc3ccnn23)CCO1 2100547684 MYCWQQVKQCRAQR-CYBMUJFWSA-N 299.338 0.431 0 50 CCAA COc1cc([C@H](C)NCc2cn(CC(N)=O)nn2)sn1 2325873570 LRDPTBNZLSLGRE-ZETCQYMHSA-N 296.356 0.079 0 50 CCAA COC(=O)c1cc(NC(=O)[C@H]2CC(C)=NO2)nn1C 913023500 DMLBMLILKWPPCM-MRVPVSSYSA-N 266.257 0.310 0 50 CCAA NC(=O)c1cc(N2C(=O)C=CC2=O)ccc1Cl 458553 BZBZBSXAXNNPJM-UHFFFAOYSA-N 250.641 0.868 0 50 CCAA CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)O 2517132 CMJCWQISQGNHHI-SSDOTTSWSA-N 275.305 0.413 0 50 CCAA Cc1ccc(CNC(=O)C(=O)NC[C@H](C)O)cc1 2993408 IWFPOZHYKHPTOW-JTQLQIEISA-N 250.298 0.108 0 50 CCAA CCOc1ccccc1CN(C(=O)[C@H](N)CO)C1CC1 55183413 JIYJBRTXCRDSEZ-CYBMUJFWSA-N 278.352 0.896 0 50 CCAA Cn1ccnc(N2CCC[C@H](N[C@H]3CCSC3)C2)c1=O 328630976 JZNONEUUXXKLMQ-RYUDHWBXSA-N 294.424 0.844 0 50 CCAA CCn1nncc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 328885114 NERRNFWYFQNJIK-LLVKDONJSA-N 290.327 0.036 0 50 CCAA CN(CC1CC1)C[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 329619524 TXFWFOOPRNOKBM-GFCCVEGCSA-N 279.388 0.272 0 50 CCAA O=S(=O)(CCNCc1ccncc1)N1CCCC1 64038002 BXVDZEPKPSKWRN-UHFFFAOYSA-N 269.370 0.597 0 50 CCAA COC1(C(=O)N[C@H](C)C(=O)N2CCCCC2)CCOCC1 339814187 RRPHXUQREMTFCT-GFCCVEGCSA-N 298.383 0.699 0 50 CCAA C[C@@H]1CC[C@H](C(=O)O)N1C(=O)CCn1ccnn1 653315415 BLICLPXIRREJBJ-RKDXNWHRSA-N 252.274 0.132 0 50 CCAA CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)c1ccsc1 344241504 WENANYCQWMSIJZ-QWRGUYRKSA-N 299.371 0.718 0 50 CCAA CCn1cnnc1CCNC(=O)c1cccc(C)n1 219769986 BDAJWNAXUPCCPV-UHFFFAOYSA-N 259.313 0.974 0 50 CCAA O=C(Cn1ccnn1)N1CCN(c2ccccc2F)CC1 175081918 UQRADGQISWFLKV-UHFFFAOYSA-N 289.314 0.766 0 50 CCAA CN(C)C/C=C/C(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 493331840 GQJQUFRHAGLLIQ-MBVDDHJVSA-N 295.427 0.673 0 50 CCAA CC1(C)O[C@@H]2C(=O)O[C@@H]3COC(C)(C)O[C@H]3[C@@H]2O1 71786768 GAWJWSHHBYXDLM-HXFLIBJXSA-N 258.270 0.583 0 50 CCAA Cc1nc(CCn2ccnc2-c2ncc[nH]2)cc(=O)[nH]1 77287894 XCSYZYIRFKQPLN-UHFFFAOYSA-N 270.296 0.908 0 50 CCAA C[C@H](C(F)(F)F)S(=O)(=O)N1CC(C(=O)O)C1 381141923 MTNOXOALTRZZLW-SCSAIBSYSA-N 261.221 0.283 0 50 CCAA CC(C)c1nnc(Cn2nnc3c(cnn3C)c2=O)s1 530108180 XETLXSVGRKSISM-UHFFFAOYSA-N 291.340 0.548 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@@H](CC(C)C)C(N)=O)c(C)[nH]1 426690505 CTWVKCVPRBLPLH-JTQLQIEISA-N 279.340 0.622 0 50 CCAA O=C(NC[C@@H]1CCCN1)N[C@@H](Cc1ccccc1)C(=O)O 426390017 YQOSFIYCQFDLBG-STQMWFEESA-N 291.351 0.734 0 50 CCAA CNCc1nnc(SCc2n[nH]c(C)n2)n1C 426477258 SCDZONPJXGIAHF-UHFFFAOYSA-N 253.335 0.253 0 50 CCAA CNC(=O)[C@H]1CCN(S(=O)(=O)CC2CCCC2)C1 335142400 PGOYBRQEIZFDRF-NSHDSACASA-N 274.386 0.574 0 50 CCAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1snnc1C)CC2 91616434 LWEJOTLSZVWQQF-ZJUUUORDSA-N 297.380 0.849 0 50 CCAA O=c1[nH]c2ccc(-c3nc([C@H]4CCOC4)n[nH]3)cc2[nH]c1=O 97784872 TVPBYQDHMJEVGW-QMMMGPOBSA-N 299.290 0.505 0 50 CCAA COC[C@@H](CO)NC(=O)c1cc(OC)cc(C(=O)O)c1 426649485 DMZXGBOHXKPKHM-SNVBAGLBSA-N 283.280 0.131 0 50 CCAA O=C(CCO)N1CCN(Cc2ccccc2)C[C@@H](O)C1 96141158 QWSSKCCAAYRIPF-CQSZACIVSA-N 278.352 0.074 0 50 CCAA Cc1cc(C)n([C@H](C)CNC(=O)Cn2cccnc2=O)n1 97394467 CRYJVJDFRQWSQE-GFCCVEGCSA-N 289.339 0.434 0 50 CCAA Cc1nc(N)cc(N2CCC3(CC2)OCCC[C@H]3O)n1 95354543 SVCJHWDJZUYJQN-LLVKDONJSA-N 278.356 0.878 0 50 CCAA CCc1ccnc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)c1 181010558 RIYNUEGIHMLLQK-LBPRGKRZSA-N 287.319 0.664 0 50 CCAA COc1ccc(F)c(CN2CCO[C@@H](C(N)=O)C2)c1 97499534 RIOHIRDBVJXIHL-GFCCVEGCSA-N 268.288 0.520 0 50 CCAA Cc1noc2ncnc(N3CCN(S(C)(=O)=O)CC3)c12 91707729 KHAVOKSYWYQURY-UHFFFAOYSA-N 297.340 0.008 0 50 CCAA O=C(NC1CC1)[C@H](O)C1CCN(Cc2nccs2)CC1 299739197 LSJRIWCSUZIIFW-CYBMUJFWSA-N 295.408 0.995 0 50 CCAA CCCCO[C@@H](C)C(=O)N1CCO[C@H](C(=O)O)C1 299748182 GJHJKNMPJYVFQS-UWVGGRQHSA-N 259.302 0.504 0 50 CCAA CO[C@@H](C(=O)NCc1nc(N)n[nH]1)c1ccccc1 534576724 CYISFYNMGJTDBY-SNVBAGLBSA-N 261.285 0.391 0 50 CCAA COCC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)O)C2 299793263 HVSCPNOUZKNALT-RXMQYKEDSA-N 284.293 0.558 0 50 CCAA CSc1ncc(CNC(=O)[C@H]2CC(C)=NO2)n1C 824959591 QMEOLTSHZWYSLC-SECBINFHSA-N 268.342 0.923 0 50 CCAA C[C@@H](CNC(=O)[C@@H](O)C(C)(C)N)Oc1ccccc1 1875308438 GNLJTUBRDTZKBX-CMPLNLGQSA-N 266.341 0.668 0 50 CCAA NC(=O)c1cncc(N2CCN(CC(F)(F)F)CC2)n1 670460682 ZILVUSDAGQIMJC-UHFFFAOYSA-N 289.261 0.260 0 50 CCAA Cn1nccc1CCNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1553465097 APMZVVSZBPWDIV-GWCFXTLKSA-N 263.345 0.095 0 50 CCAA NC(=O)[C@@H]1CN(c2cc(Br)ccn2)CCN1 1875286565 YEZSPALTTGMVLD-QMMMGPOBSA-N 285.145 0.108 0 50 CCAA CC(=O)N1CC[C@@H](NC(=O)c2cnc[nH]2)[C@@H](C)C1 1875252201 RGVRLJCEAFTXTF-WCBMZHEXSA-N 250.302 0.396 0 50 CCAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NS(C)(=O)=O 1875391045 HGBIIJFELLDUJJ-UHFFFAOYSA-N 284.297 0.073 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)c2cncnc2)C1 958528929 YTHZBEMGBJJWCP-FZMZJTMJSA-N 294.355 0.848 0 50 CCAA CCn1cnc([C@@H](N)C2(O)C[C@@H]3CC[C@H](C2)N3)c1 958528609 WIGRFYUHMKMQFG-IRZOWQPXSA-N 250.346 0.548 0 50 CCAA CO[C@H]1CCCCN(CC(=O)N(C)c2cnn(C)c2)C1=O 886075127 BZLJRADOBNQUDT-LBPRGKRZSA-N 294.355 0.410 0 50 CCAA C=CC(=O)NCc1ccnc(N2CCC[C@H](O)C2)c1 585086870 JZKCXQYABCONPC-LBPRGKRZSA-N 261.325 0.845 0 50 CCAA CN1CCN(C(=O)[C@H]2CCCCO2)C[C@@H]1c1nccn1C 276824961 XTSSKQHPMHCBOZ-CHWSQXEVSA-N 292.383 0.804 0 50 CCAA NS(=O)(=O)c1ccc(C(=O)NC2CCCC2)nc1 170591438 RIRJPHABPSZURQ-UHFFFAOYSA-N 269.326 0.401 0 50 CCAA Cc1cn(-c2ccccc2)nc1C(=O)NCc1nn[nH]n1 681189720 MLVOVOKIKRKFHB-UHFFFAOYSA-N 283.295 0.624 0 50 CCAA Cc1ccn2ncc(C(=O)N[C@@H]3CC[S@](=O)C3)c2n1 408306050 OSYBLPGOCCYPMT-HOGDKLEQSA-N 278.337 0.289 0 50 CCAA COC(=O)c1cncc(C(F)(F)F)c1OCC(N)=O 408518433 HQSVXZQHVRBZFF-UHFFFAOYSA-N 278.186 0.751 0 50 CCAA Cn1nccc1CCC(=O)N1CCCC[C@@H]1C(=O)O 190559598 GXKPXSMFIFYZQC-LLVKDONJSA-N 265.313 0.818 0 50 CCAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(C(=O)O)CC=CCC1 653288943 FYJZDNUPIMFEJX-UEKVPHQBSA-N 292.335 0.535 0 50 CCAA COC(=O)Cc1ccccc1B(O)OC(C)(C)C(C)(C)O 200333567 KCKLPUGQFKHKNW-UHFFFAOYSA-N 294.156 0.656 0 50 CCAA O=C(CCCn1cncn1)Nc1cnn2c1NCCC2 1506420753 AXOGDLQATXKNIB-UHFFFAOYSA-N 275.316 0.709 0 50 CCAA NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCC1CC1 1616038025 DKMOLSKXMHQAEW-QWHCGFSZSA-N 292.335 0.580 0 50 CCAA Cc1nnc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)s1 1704316210 KNSFEDWHFFQCLL-PHIMTYICSA-N 283.309 0.208 0 50 CCAA CC1=N[C@](C)(C(=O)N(C)c2ccccc2)[C@@H]2C(=O)NC(=O)[C@H]12 136548481 QPRRBSBLIQTGET-WQGACYEGSA-N 299.330 0.771 0 50 CCAA C[C@H](O)[C@H](O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 1615541249 JSAQTYDDIIZJRP-CYZMBNFOSA-N 292.335 0.281 0 50 CCAA Cc1cnc2c(cnn2CC(=O)N2C[C@@H]3CC[C@]3(N)C2)c1 1615547162 RWZSLSQFLRBADT-WFASDCNBSA-N 285.351 0.689 0 50 CCAA O=C(Cn1nc2c(cc1=O)COCC2)Nc1nccs1 1565524241 GXWDZVXGFQVCAQ-UHFFFAOYSA-N 292.320 0.411 0 50 CCAA CN(C[C@@H]1Cc2ccccc2O1)c1nnc(CN)o1 1772712768 YNHDLYIDSCPBHJ-JTQLQIEISA-N 260.297 0.968 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(C)C(=O)C3)n[nH]c21 1857528581 HXSNQNSULUQGPT-BDAKNGLRSA-N 292.339 0.346 0 50 CCAA Cc1cnc(CNC(=O)[C@H]2CCc3ncnn3C2)cn1 1857728465 CGACSFUYWCXIIG-JTQLQIEISA-N 272.312 0.255 0 50 CCAA C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CC[C@@H]1C(=O)O 526944194 COXMVTWJYMKWBY-MXWKQRLJSA-N 290.385 0.758 0 50 CCAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ncc[nH]3)CCN12 1875243639 QBJBMNBBUMFZRA-NWDGAFQWSA-N 278.356 0.735 0 50 CCAA C[C@H]1CN(C(=O)c2nc3cnccc3s2)CC(=O)N1 615854025 HHICNDAKFRXINT-ZETCQYMHSA-N 276.321 0.652 0 50 CCAA CO[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1c1cnn[nH]1 622170827 NTLRYYJZGYBPTF-JOYOIKCWSA-N 275.312 0.398 0 50 CCAA CCn1cc(CN(CCO)C(=O)[C@H]2CO[C@H](C)C2)cn1 331050399 KZOFVGQOASAPQP-DGCLKSJQSA-N 281.356 0.649 0 50 CCAA CCN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 20166905 DCGYESKXJMGUGW-CQSZACIVSA-N 276.336 0.991 0 50 CCAA O=C(O)[C@H]1C[C@@H]2C[C@H](NC(=O)C3(O)CCC3)[C@@H]2C1 907951955 HBPRFYWVCKZVDS-RGOKHQFPSA-N 253.298 0.517 0 50 CCAA O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(CO)cc1 222879670 JUXIUDVNMLKUJV-VXGBXAGGSA-N 251.282 0.059 0 50 CCAA O=C(NCc1ccc2c(c1)OCO2)N1CCOCC1 457204 SWGAQTQNJRKEIP-UHFFFAOYSA-N 264.281 0.957 0 50 CCAA C[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)cc2)[C@@H]1CN 237524156 OMJVHMZKEPXLRS-ZWNOBZJWSA-N 275.352 0.985 0 50 CCAA Cc1cncc(C(=O)N2CCC[C@](O)(CO)C2)c1 72173759 HYMFMSKLXVFORT-CYBMUJFWSA-N 250.298 0.349 0 50 CCAA NC(=O)C1(O)CCN(C(=O)c2ccc(Cl)s2)CC1 310862345 CWKBWZVPYZHKKZ-UHFFFAOYSA-N 288.756 0.854 0 50 CCAA C[C@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ncc[nH]1 311581582 OQTMLOQGAYHPBH-QWRGUYRKSA-N 284.385 0.657 0 50 CCAA O=C(NC[C@@]1(CO)CC[C@@H]1CO)Nc1nccs1 2325772852 WRGXDCXOCRDRSX-LDYMZIIASA-N 271.342 0.646 0 50 CCAA CS(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1 285298 LWPQTEDRZGIEHW-UHFFFAOYSA-N 298.364 0.169 0 50 CCAA N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)O 2169794 RSYYQCDERUOEFI-SNVBAGLBSA-N 278.312 0.133 0 50 CCAA biogenic,in-vitro CCN(CCO)[C@@H]1CC(=O)N(c2ccccc2C)C1=O 2359727 YRLXVWOMVOBPBQ-CYBMUJFWSA-N 276.336 0.941 0 50 CCAA COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(N)=O 4574735 CQYXMTGMFUMYDK-LLVKDONJSA-N 277.349 0.973 0 50 CCAA CC(=O)N1CCC(C(=O)NCCN2CCCCC2)CC1 6698568 MOIVCOGLRWZXBU-UHFFFAOYSA-N 281.400 0.847 0 50 CCAA CCN1CCN(C(=O)c2cc[nH]n2)C[C@H]1c1ncc[nH]1 328641347 XUKSVUZMCVSGMM-NSHDSACASA-N 274.328 0.652 0 50 CCAA CCNC(=O)[C@@H]1CCN(c2cc(OC)ncn2)C1 65434605 LDZICWABRKOAIY-SECBINFHSA-N 250.302 0.448 0 50 CCAA C[C@@H]1[C@@H](NC(=O)CN(C)CC(=O)O)CCC[C@H]1C 248747664 FFQVLHBGPHQSML-VWYCJHECSA-N 256.346 0.944 0 50 CCAA Cn1cnc2c(c1=O)CCN(C(=O)c1cc(Cl)c[nH]1)C2 328636001 VHAXOEBSCUGXKN-UHFFFAOYSA-N 292.726 0.960 0 50 CCAA Cn1ccc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)c1 328627020 FRUMICDZYQCOTA-SNVBAGLBSA-N 275.312 0.844 0 50 CCAA CCN(CC(=O)O)C1CC(NC(=O)c2ccncc2)C1 328638944 PGHGDPBLLDFYFN-UHFFFAOYSA-N 277.324 0.749 0 50 CCAA Cc1nc([C@H]2CN(C(=O)[C@H]3C[C@H]4CC[C@H]3O4)CCO2)n[nH]1 329739370 NINQYJXRJVYPSE-WRWGMCAJSA-N 292.339 0.581 0 50 CCAA CCCO[C@@H]1CCCN(C(=O)Cc2nnn[nH]2)C1 67771869 GFJREERAHFIZHP-SECBINFHSA-N 253.306 0.160 0 50 CCAA CCN(Cc1cn(C)nn1)C(=O)[C@@](C)(OC)C1CC1 331584820 AORKENFYPSZSHN-ZDUSSCGKSA-N 266.345 0.979 0 50 CCAA Cc1cnc(C(=O)N2CCC[C@@H](n3ccnn3)C2)cn1 333238084 DJCJPNNZBAQWAA-LLVKDONJSA-N 272.312 0.854 0 50 CCAA O[C@H](COC1CCOCC1)CN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 333772366 YEIOKDPUBIKCQJ-CWCFIDOXSA-N 297.395 0.652 0 50 CCAA COC(=O)c1c([N+](=O)[O-])cccc1S(N)(=O)=O 143605923 WABKXUCDAPTFDK-UHFFFAOYSA-N 260.227 0.029 0 50 CCAA COc1ccc(N2CCN(C(=O)[C@H](C)O)CC2=O)cc1 77408068 YEHCXFNUENLMBT-JTQLQIEISA-N 278.308 0.251 0 50 CCAA O=C(NCc1ccc2c(c1)CCCO2)[C@H]1CNCCO1 72161022 LOZGAKZORIDARK-CQSZACIVSA-N 276.336 0.616 0 50 CCAA C[C@H]1CCO[C@H]1C(=O)NCCn1c(S)nnc1C1CC1 152724119 IXKHKGHCJRCOHF-WCBMZHEXSA-N 296.396 0.985 0 50 CCAA COC(=O)c1ccc(CNC(=O)CCS(C)(=O)=O)o1 358739310 PQNCKGQWNVZUCD-UHFFFAOYSA-N 289.309 0.117 0 50 CCAA COCC(=O)N1CC[C@@H](N(C)Cc2noc(C)n2)C1 370291726 QAGQPIIJSIPOMY-SNVBAGLBSA-N 268.317 0.057 0 50 CCAA CCn1ncnc1[C@H](C)NC(=O)C(=O)c1cccn1C 71745172 GTMHLTVWWWLVJN-VIFPVBQESA-N 275.312 0.697 0 50 CCAA CO[C@H]1CN(c2cncc(-n3ccnc3C)n2)C[C@H]1OC 372852069 MRERAZPYYBZSCE-TXEJJXNPSA-N 289.339 0.821 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)COCC1CC1 263278757 JGEIULUSHOPPAQ-JTQLQIEISA-N 257.286 0.115 0 50 CCAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(N)=O 72161268 WSGDSEKWPOBVBO-LBPRGKRZSA-N 291.351 0.261 0 50 CCAA CC(C)n1ccc(Cn2nnc3c(cnn3C)c2=O)n1 177603562 WGMDDSQDTWJTPY-UHFFFAOYSA-N 273.300 0.351 0 50 CCAA CO[C@H]1CNC[C@@H]1NC(=O)CCc1ccsc1 133925820 PCMHDAMOWLBPFD-QWRGUYRKSA-N 254.355 0.784 0 50 CCAA O=C(NCCCc1nn[nH]n1)c1nc2ccccc2[nH]1 426717008 QQHDYGGJDGACMC-UHFFFAOYSA-N 271.284 0.439 0 50 CCAA Cc1nnc(CN(C)C(=O)N[C@@H](C)Cn2cccn2)o1 426589175 XIJPVMOCSMVKGV-VIFPVBQESA-N 278.316 0.805 0 50 CCAA CC(C)CNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2 334163428 RRUKMCOYZQQNKS-UHFFFAOYSA-N 282.321 0.756 0 50 CCAA COc1ncc(C(=O)NCc2ccc3nc(O)[nH]c3c2)cn1 426549944 NAZYRFASZZKRCQ-UHFFFAOYSA-N 299.290 0.997 0 50 CCAA COCc1c(C(=O)NCCCN(C)C)noc1C 97698875 OBKRWDWYISVQLD-UHFFFAOYSA-N 255.318 0.811 0 50 CCAA COc1cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)ncn1 91860929 DDVHKKPNXLKNNF-JTQLQIEISA-N 292.339 0.518 0 50 CCAA CCN1C[C@@H](C(=O)NCCc2nnc(C)s2)CCC1=O 91769849 QHNADEYOZYUUNQ-JTQLQIEISA-N 296.396 0.764 0 50 CCAA Cc1ccn2c(=O)cc(CN3C(=O)CCNC3=O)nc2c1 95523731 OTIUCMRAULBPAW-UHFFFAOYSA-N 286.291 0.445 0 50 CCAA O=C(Cn1cnnc1)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 243919510 BOKIHEBIPSRYRT-VNHYZAJKSA-N 286.335 0.907 0 50 CCAA CC[C@H](C)[C@@H](C(=O)NCCCn1ccnc1)n1cnnn1 604419335 UGCKCXPUCRQUHC-RYUDHWBXSA-N 291.359 0.663 0 50 CCAA CN1CCC(CCC(=O)NCCn2cncn2)CC1 299796634 NUMFVHSKHOZAJV-UHFFFAOYSA-N 265.361 0.516 0 50 CCAA CC(C)n1cnnc1CCNC(=O)c1[nH]cnc1C(=O)O 299794948 LKXJOEBTXILBGU-UHFFFAOYSA-N 292.299 0.253 0 50 CCAA CO[C@H]1COC[C@@H]1NC(=O)c1ccc(OCCCN)cc1 299755974 GSLUAGHURIFCKB-KBPBESRZSA-N 294.351 0.558 0 50 CCAA COc1ccc(OC)c(NC(=O)N(C)[C@H]2COC[C@@H]2O)c1 299796859 SMUHYJLOXNPMMM-RYUDHWBXSA-N 296.323 0.927 0 50 CCAA COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCNCC2 299772955 DFKFRQDIVGIFIP-LLVKDONJSA-N 295.387 0.274 0 50 CCAA O=C(Cc1ccsc1)N1CCN(Cc2nc[nH]n2)CC1 652905363 POYCSWPXXZIXDC-UHFFFAOYSA-N 291.380 0.753 0 50 CCAA CCN1CCN(CC(=O)NCCC2(O)CCCC2)CC1 823112964 VGGMMRQVLCPCIO-UHFFFAOYSA-N 283.416 0.435 0 50 CCAA NC(=O)c1cccnc1NCCCN1CCC[C@@H](O)C1 828627417 SYUGREWBRCAWCT-LLVKDONJSA-N 278.356 0.439 0 50 CCAA O=C(CN1CCC[C@H](O)CC1)Nc1cnccn1 660648317 XRKNMKSYGGCINZ-JTQLQIEISA-N 250.302 0.262 0 50 CCAA CCN1C[C@@H](CN(C)C(=O)c2cncc(O)c2)CC1=O 584889575 BIWAOLHNRRFXIH-SNVBAGLBSA-N 277.324 0.728 0 50 CCAA CC1(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)COC1 1550811379 QHSLZXHCAARLTN-ZDUSSCGKSA-N 287.381 0.450 0 50 CCAA O=C(N=c1[nH]nc2[nH]ccnc1-2)[C@@]12CCC[C@@H](C1)OC2 1875322803 IOEQPDVOKNPFCQ-SDBXPKJASA-N 273.296 0.624 0 50 CCAA C=CC(=O)N1CCC(C(=O)N[C@@H]2C[C@]2(C)OC)CC1 1875366135 SBYSBHCXPQRZNN-RISCZKNCSA-N 266.341 0.705 0 50 CCAA CCCSCCNC(=O)Cc1c(C)nc(O)nc1O 952969251 STGGZYCHCKECDA-UHFFFAOYSA-N 285.369 0.998 0 50 CCAA CN(CCCn1cccn1)CCCS(=O)(=O)N(C)C 243901783 BDWOTHSXVBYTQG-UHFFFAOYSA-N 288.417 0.487 0 50 CCAA C[C@@]1(C2CC2)COCCN1C(=O)Cn1cncn1 890583071 ZGCSCYRGVNWCDJ-LBPRGKRZSA-N 250.302 0.306 0 50 CCAA O=c1nc(O)ccn1Cc1nc(Cc2cccnc2)no1 1340635664 GVBHYMZWRLERPI-UHFFFAOYSA-N 285.263 0.366 0 50 CCAA Nc1ccnc(CN2CCC[C@H]2C(=O)NC2CC2)n1 135076622 ULKXSHHPOYGQBL-JTQLQIEISA-N 261.329 0.302 0 50 CCAA CC(C)CN1C[C@@H](C(=O)NC[C@@H](C)c2ncon2)CC1=O 1364243766 OLIBQIUIZHMNPO-MNOVXSKESA-N 294.355 0.794 0 50 CCAA O=C(O)COc1cccc(CN2CC[C@@H](CO)[C@@H](O)C2)c1 1565507331 OACHHWHFHXPWAS-JSGCOSHPSA-N 295.335 0.325 0 50 CCAA C[C@H]1C[C@@H](N)CCN1C(=O)c1nc2ncccc2[nH]1 1565512518 OKNFNHDXILBPBQ-IUCAKERBSA-N 259.313 0.910 0 50 CCAA CCSC(SCC)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O 59086307 MKFOCLXLRFQETN-RBXMUDONSA-N 270.416 0.282 0 50 CCAA in-vitro C[C@@H]1OCC[C@@H]1N[C@H]1CCCN(c2nccn(C)c2=O)C1 275632258 SIHWDBJOXSJJTA-AVGNSLFASA-N 292.383 0.516 0 50 CCAA Cc1cc(F)c(S(=O)(=O)NCCN)cc1F 170050977 MJKWTBMCLPYZQZ-UHFFFAOYSA-N 250.270 0.510 0 50 CCAA COc1ccccc1OCCN(C)C(=O)[C@H]1CNCCO1 187421483 SMDMXORNUIBRQE-CQSZACIVSA-N 294.351 0.521 0 50 CCAA O=C(O)[C@H](C1CC1)N1CCN(C(=O)CN2CCCC2)CC1 635018376 ZKVBKTSCZWFHOK-AWEZNQCLSA-N 295.383 0.090 0 50 CCAA CC1(C)CN(c2cncc3ncnn23)C[C@@]2(CCOC2)O1 684601926 HKMIKRYVFGUNHV-CQSZACIVSA-N 289.339 0.899 0 50 CCAA O=S(=O)(c1ccco1)N1CCOC[C@@]12CCOC2 195481102 BGYCRFVOXBFZDD-NSHDSACASA-N 273.310 0.460 0 50 CCAA COC[C@]1(C)CCN(c2nc(=N)[nH]c3c2cnn3C)C1 570696947 YDWOINYTUSIHAP-CYBMUJFWSA-N 276.344 0.639 0 50 CCAA Cn1nncc1CC(=O)N1CC[C@H](CN2CCCCC2)C1 669236146 SJLYDDZILAOUEZ-CYBMUJFWSA-N 291.399 0.692 0 50 CCAA O=C(N[C@H]1COC2(CCNCC2)C1)c1cnccn1 215116478 RMAKCHURQRFJKR-SNVBAGLBSA-N 262.313 0.118 0 50 CCAA COC1(CC(=O)N2CCCNC(=O)[C@H]2C)CCC1 334540719 VTNUSRFIKNMHPE-SNVBAGLBSA-N 254.330 0.683 0 50 CCAA Cc1cccn2ncc(C(=O)N[C@@H]3CC[C@@H](O)[C@H]3O)c12 1772701153 IWCPHFOVKOVPMO-WZRBSPASSA-N 275.308 0.257 0 50 CCAA CC(C)N1CC[C@@H](N2C[C@H]3[C@@H](C2)C3(CO)CO)C1 1772804306 LQCYADXDEPOGOF-UPJWGTAASA-N 254.374 0.002 0 50 CCAA O=C(O)Cc1ccc(CN2CCOC[C@H](C(=O)O)C2)cc1 1775981974 KYXWGYRYGHYXHG-CYBMUJFWSA-N 293.319 0.847 0 50 CCAA Cc1n[nH]c(C)c1S(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 250991611 NMJGZPUTQOXCML-GUBZILKMSA-N 299.352 0.653 0 50 CCAA O=C(O)[C@@H](Cc1ccccc1)NC(=O)N1CCOCC1 5947218 UILPSDWDTZXIMK-GFCCVEGCSA-N 278.308 0.724 0 50 CCAA CCN(CC)C(=O)CSc1nc(O)cc(O)n1 12411523 KBVBBFLIJRFXSQ-UHFFFAOYSA-N 257.315 0.848 0 50 CCAA CCn1ccnc1CNC(=O)[C@H]1CC(=O)N(C2CC2)C1 19731619 CTPMALMUNBLMHS-JTQLQIEISA-N 276.340 0.530 0 50 CCAA CC(C)(C)OC(=O)N1CC[C@@H](n2ncc(C(N)=O)c2N)C1 201938854 BMXLRDUBQSIUGI-MRVPVSSYSA-N 295.343 0.746 0 50 CCAA CCCO[C@@H]1C[C@@H](C(=O)NCCc2cc[nH]n2)CC[C@H]1N 1857730735 ZUADHVUWKLRBED-IACUBPJLSA-N 294.399 0.991 0 50 CCAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1cccn(C)c1=O 269193696 RXJRGFVUDHOFKX-JQWIXIFHSA-N 263.341 0.727 0 50 CCAA COC[C@H]1CN(C(=O)c2nccnc2N)CC(C)(C)O1 285501213 NCYRTWKKMHTMGO-SECBINFHSA-N 280.328 0.325 0 50 CCAA O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccccc1F 625590151 CLMAXPVGIITFCN-UWVGGRQHSA-N 275.301 0.254 0 50 CCAA CCc1nc(CN2CCN3C(=O)OC[C@H]3C2)no1 366298522 QFHOLYVNMFQRPF-MRVPVSSYSA-N 252.274 0.268 0 50 CCAA NC(=O)[C@]1(O)CCN(c2ncnc3c2CCCCC3)C1 383740355 HIZGVUXZQKJLSG-AWEZNQCLSA-N 276.340 0.172 0 50 CCAA Nc1nc(CNS(=O)(=O)N2CCCC2)cs1 827597719 HLPALMHELRFYJY-UHFFFAOYSA-N 262.360 0.156 0 50 CCAA CNS(=O)(=O)[C@@H]1CCCN(Cc2cccc(F)n2)C1 851842537 KRQXXSWPBCENPF-LLVKDONJSA-N 287.360 0.734 0 50 CCAA O=C(c1ccc2c(c1)OCO2)N1C[C@H](O)[C@@H](F)C1 1616101683 YLUSTFDPCKETJM-IUCAKERBSA-N 253.229 0.570 0 50 CCAA O=C(NCCc1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 2903490 NBNRIBSPRMIZRR-ZDUSSCGKSA-N 294.326 0.780 0 50 CCAA Cc1ccc(C)c(CC(=O)N2CCN(C)C[C@@H]2CN)c1 124345595 ZWEDTTLBUBVQFJ-HNNXBMFYSA-N 275.396 0.947 0 50 CCAA Cc1cc(CC(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)on1 2356144524 BTIGNARWKYPIHY-GXSJLCMTSA-N 284.337 0.171 0 50 CCAA COc1ccc(OC)c(NC(=O)C[C@@H]2NCCNC2=O)c1 4223140 SQVAELWENIHXJR-NSHDSACASA-N 293.323 0.120 0 50 CCAA COc1ccccc1OC[C@H](O)CS(=O)(=O)O 4831673 PPFCZNBQPMQVJH-QMMMGPOBSA-N 262.283 0.323 0 50 CCAA CCC1(O)CN(S(=O)(=O)c2ccc(C(=O)O)cc2)C1 227251276 MDJYZINJLCUJTN-UHFFFAOYSA-N 285.321 0.530 0 50 CCAA Cc1csc(CCCNC(=O)C2=NNC(=O)CC2)n1 102379976 QYFVSDBYCMCODE-UHFFFAOYSA-N 280.353 0.766 0 50 CCAA COC(=O)c1ccc2c(=O)n(CCO)c(=S)[nH]c2c1 100432918 NLNCQQCCTAYWHA-UHFFFAOYSA-N 280.305 0.838 0 50 CCAA O=C(Cn1nc2c(cc1=O)CCCCC2)NC1CC1 61718739 NPOZUPBQOSRCOJ-UHFFFAOYSA-N 261.325 0.791 0 50 CCAA COC(C)(C)C(=O)N1CCN(c2nc(C)ns2)CC1 173273911 CPVJSEDGQXGPMK-UHFFFAOYSA-N 284.385 0.920 0 50 CCAA CN(C[C@H]1COCCO1)C(=O)c1ccc(CO)cc1 217183704 XPWLBMFLDQTEBZ-ZDUSSCGKSA-N 265.309 0.666 0 50 CCAA CCn1ncnc1CN1CCC[C@]2(C1)CN(C)C(=O)O2 215075841 KGIVAQUBMKAENQ-CYBMUJFWSA-N 279.344 0.715 0 50 CCAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(N)=O 72161269 WSGDSEKWPOBVBO-GFCCVEGCSA-N 291.351 0.261 0 50 CCAA O=C(C[C@H]1COCCN1)Nc1cncc(C(=O)O)c1 72122366 XIUXDBBBYAPRLY-JTQLQIEISA-N 265.269 0.097 0 50 CCAA CN[C@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 133154281 VRKSMMWKGJVAPF-AWEZNQCLSA-N 273.380 0.693 0 50 CCAA O=C(CCCCc1cnn[nH]1)N1CC(F)(F)C[C@@H]1CO 372554852 QOPKYRKEZYIVJS-SNVBAGLBSA-N 288.298 0.746 0 50 CCAA COC[C@H]1CN(C(=O)c2cc(OC)no2)CC(C)(C)O1 343719664 JGFOSGRCMIWLFV-SECBINFHSA-N 284.312 0.949 0 50 CCAA Cn1nncc1C(=O)N[C@H]1CCN(c2cccnc2)C1 375627187 WHHACBACJYUHAF-JTQLQIEISA-N 272.312 0.219 0 50 CCAA Cc1c[nH]c(C(=O)N2CCOC[C@H]2CC(=O)O)n1 223425792 DCGSLNBBSYYJCI-MRVPVSSYSA-N 253.258 0.034 0 50 CCAA CCc1c(C)nn(CC(=O)N[C@@H]2COCC[C@H]2O)c1C 222909908 FBOSBKJKIUBTKQ-CHWSQXEVSA-N 281.356 0.328 0 50 CCAA NC1(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CCCC1 178195378 WTZMBAUMIAKKDO-NEPJUHHUSA-N 268.357 0.664 0 50 CCAA O=C(Cn1ccnn1)NCC1CCN(CC2CC2)CC1 426409297 JSOLOGMMZJBGGK-UHFFFAOYSA-N 277.372 0.516 0 50 CCAA CCn1cnnc1CCNC(=O)C[C@@H]1CCCOC1 426556097 ZSXFRCCMIRGTRV-NSHDSACASA-N 266.345 0.773 0 50 CCAA C[C@H]1Cc2ccccc2CN1CC(=O)NCC(=O)O 180753216 OUHYXUXQTMLDTD-JTQLQIEISA-N 262.309 0.634 0 50 CCAA O=C1NCCN1[C@H]1CCCN(c2nccn3cnnc23)C1 536187734 BWSWQXGHVJTSFN-JTQLQIEISA-N 287.327 0.118 0 50 CCAA O=C(O)CN1CCC[C@@H](c2ccn(CCO)n2)C1 426509377 MQGOYLGDUJFWBY-SNVBAGLBSA-N 253.302 0.139 0 50 CCAA CC(=O)N1CCC[C@@H](C(=O)NCCn2nc(C)nc2C)C1 95382845 LHEXDKSBUBGGHU-CYBMUJFWSA-N 293.371 0.270 0 50 CCAA CN(Cc1cnn(C)c1)C(=O)CN1C(=O)OC(C)(C)C1=O 95502806 MRBRDMJYQXTARU-UHFFFAOYSA-N 294.311 0.136 0 50 CCAA COC(=O)c1cn([C@@H](CO)C(C)C)cc2c(=O)[nH]nc1-2 253413219 UDZGUMXJTQZTGI-JTQLQIEISA-N 279.296 0.652 0 50 CCAA O=C(NC1CC1)[C@H](O)C1CCN(CCOCC2CC2)CC1 299745080 WAHBBZCEZJPZBA-OAHLLOKOSA-N 296.411 0.765 0 50 CCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(C2CC2)[nH]n1 299744416 OQYVAROUYZNBMK-XCBNKYQSSA-N 266.276 0.325 0 50 CCAA CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H](CC)[C@H](N2CCOCC2)C1 299754144 FOOQTDYPYYQRDF-BYNSBNAKSA-N 296.411 0.981 0 50 CCAA CCN1CC[C@H](N(C)C(=O)CNCCOC)[C@H](C)C1 299738573 CGTGPUFEEGDMNX-OLZOCXBDSA-N 271.405 0.411 0 50 CCAA NC(=O)[C@H]1CC[C@H]1C(=O)N1Cc2ccc(O)cc2C1 628538130 CGWQNUFNNXPZFI-NWDGAFQWSA-N 260.293 0.746 0 50 CCAA CSCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1 534636223 QXZYDHRRPHMERJ-QWRGUYRKSA-N 258.387 0.719 0 50 CCAA Cn1cc(-c2cncc(C(=O)N3CCOCC3)n2)cn1 534592708 SOVRYHIUGJLOSQ-UHFFFAOYSA-N 273.296 0.350 0 50 CCAA O=C(NCCc1cn2ccsc2n1)[C@H]1COCCO1 299795739 MZWQSDLTTJIIEB-SNVBAGLBSA-N 281.337 0.470 0 50 CCAA COC(=O)Cc1cc(OC)ccc1S(N)(=O)=O 299805181 BQHLGPZCVIJRIJ-UHFFFAOYSA-N 259.283 0.058 0 50 CCAA Cc1[nH]nc(NC(=O)CCNS(C)(=O)=O)c1Cl 790971844 DFFCUCMRWXQBTF-UHFFFAOYSA-N 280.737 0.249 0 50 CCAA O=C1NC(=O)c2cc(Br)ccc2C1=O 575432149 VMNGQFZYSIWVFO-UHFFFAOYSA-N 254.039 0.902 0 50 CCAA CC[C@@H](NC(=O)C(=O)N1CCCC1)c1ncc(C)[nH]1 822650337 HMOQVCJXSFQNEF-SNVBAGLBSA-N 264.329 0.908 0 50 CCAA CCc1cnc(C)nc1N1C[C@H](O)C[C@H]1C(=O)O 584894501 CWIZONMLEDFZPS-ZJUUUORDSA-N 251.286 0.372 0 50 CCAA Cn1ncnc1C(=O)NC[C@H]1CCC2(CCOCC2)O1 902971822 CZBAWPVDWFUPSM-SNVBAGLBSA-N 280.328 0.273 0 50 CCAA CS(=O)(=O)NCc1nncn1C1CCCCC1 670463628 YPHJJEPYBLULOD-UHFFFAOYSA-N 258.347 0.833 0 50 CCAA CC1(C)OCC[C@@H]1NS(=O)(=O)N=S1(=O)CCCC1 867331802 WPISANXVZWTLDH-VIFPVBQESA-N 296.414 0.650 0 50 CCAA Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](O)C2)c(C)c1 828895245 OEJQYSJNDSDCPZ-RYUDHWBXSA-N 285.365 0.420 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(N(C)C)C3)nn(C)c21 1875402597 IHWHYROCLNABJJ-ZJUUUORDSA-N 292.383 0.828 0 50 CCAA CN(C)CC1(O)CCN(C(=O)[C@@H](N)C2CCCCC2)CC1 952965675 QXPJHDWALNTWDB-AWEZNQCLSA-N 297.443 0.809 0 50 CCAA c1cn(CCN2CCN(c3cncc4ncnn34)CC2)cn1 276683585 ZWRZEUHATMIRGH-UHFFFAOYSA-N 298.354 0.143 0 50 CCAA C[C@H](c1nnnn1C1CC1)N1CCc2[nH]ncc2C1 277034948 SKSNBPISWFPYOK-MRVPVSSYSA-N 259.317 0.850 0 50 CCAA Cc1ccccc1C1(C(=O)N2CCO[C@H](C(N)=O)C2)CC1 171030658 WMNCBFZLFBVCFU-ZDUSSCGKSA-N 288.347 0.739 0 50 CCAA C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)CN1CCCC1 225392500 HABWSRIJJNSEDF-NEPJUHHUSA-N 267.373 0.455 0 50 CCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)C1CCC(O)CC1 644230572 HRCKDMPOIKYFKJ-PCGVCOGMSA-N 296.411 0.641 0 50 CCAA Cc1noc2ncnc(N(C)CC3(O)CCOCC3)c12 192542799 BHLGDIGXYSHQDW-UHFFFAOYSA-N 278.312 0.904 0 50 CCAA CC(C)Cn1ncc(C(=O)N[C@@H]2COC[C@H]2O)c1C1CC1 573181012 RSUOFKUXJLFLJR-CHWSQXEVSA-N 293.367 0.906 0 50 CCAA COC[C@]1(C(=O)O)CCCN1C(=O)[C@H](OC)C1CC1 668294031 OTMZCJQZNQMVTH-MFKMUULPSA-N 271.313 0.504 0 50 CCAA C[C@@]12CN(C(=O)Cn3cccnc3=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 578729781 BSKJRYDETVRRNX-IATRGZMQSA-N 285.347 0.914 0 50 CCAA Cc1csc(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)c1 580041839 OGTJIUCJTGXYOC-MRVPVSSYSA-N 291.350 0.531 0 50 CCAA CC[C@H]1C(=O)NCCN1C[C@H](OC)C1CCOCC1 585116923 MKLHGQWUQGGDDS-STQMWFEESA-N 270.373 0.638 0 50 CCAA Cn1ccnc1CCN1CCC(O)(CN2CCCC2)CC1 1506396327 GNQOMVQNZCGVJO-UHFFFAOYSA-N 292.427 0.885 0 50 CCAA CCc1ncnc(N2C[C@H]3COC[C@@H]2CN(C)C3)c1F 1875246561 RIQUVVOZAJLNGL-QWRGUYRKSA-N 280.347 0.945 0 50 CCAA Cc1c(Cl)c(C(=O)NC[C@H]2CNCCO2)nn1C 566615096 GEYVUCPCEYHASU-MRVPVSSYSA-N 272.736 0.100 0 50 CCAA Cc1cc(=O)n(-c2ccc(S(=O)(=O)O)cc2)[nH]1 19300082 VFMNIJOKAXPZLE-UHFFFAOYSA-N 254.267 0.721 0 50 CCAA C[C@@H]1C[C@H](C(=O)N2CCC(n3cnnc3O)CC2)[C@@H](C)O1 632807258 BNIVKIOXOJSTPF-FOGDFJRCSA-N 294.355 0.961 0 50 CCAA COCc1nc([C@@H]2CCCCN2CCn2cncn2)n[nH]1 329830607 JVAXCFZODWVGAW-NSHDSACASA-N 291.359 0.770 0 50 CCAA CCn1cnnc1NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 331526614 GQNLXXBUOMDZKZ-WDEREUQCSA-N 290.327 0.748 0 50 CCAA O=C(c1ccc(-n2cncn2)cc1)N1CCOC2(CNC2)C1 663484609 RCQCTNSURXLOJP-UHFFFAOYSA-N 299.334 0.082 0 50 CCAA CCc1nc(=N[C@H](C)c2nccc(=N)[nH]2)s[nH]1 585092016 AZJUEGJJVQDQIV-ZCFIWIBFSA-N 250.331 0.898 0 50 CCAA CCC[C@@H](NC(=O)C1CC2(CCNC2)C1)C(=O)O 1875293370 NRJOLOJSLLKFHH-RUETXSTFSA-N 254.330 0.746 0 50 CCAA CN(C)CC1(C(=O)N2CCC[C@H]2c2nn[nH]n2)CC1 900390372 MNNYEABPUBPEJL-VIFPVBQESA-N 264.333 0.205 0 50 CCAA O=C(Cn1ncc2cccnc21)N1CCOC[C@H]1CCO 821378196 JMQWXUYKNYZIPL-GFCCVEGCSA-N 290.323 0.041 0 50 CCAA CCC[C@@H]1CN(C(=O)CSCC(=O)O)CCO1 263555309 YNJGIUMNVFTNBW-SECBINFHSA-N 261.343 0.832 0 50 CCAA O=C(O)[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]1C(F)(F)F 299746138 VPFQDECMJNYPTH-RNFRBKRXSA-N 287.259 0.674 0 50 CCAA O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCOC[C@@H]1O 629217489 DBYLMNBUAQQWSD-KBPBESRZSA-N 274.320 0.976 0 50 CCAA Cc1cnc(C)c(N2CC[C@@](O)(CN(C)C)C2)n1 713646815 DRRJZVGYBLIAHJ-CYBMUJFWSA-N 250.346 0.596 0 50 CCAA CN(C)c1ccc(C(=O)N2C[C@H](O)[C@@H](F)C2)cn1 1616098369 STQJEQATFBNUGZ-UWVGGRQHSA-N 253.277 0.302 0 50 CCAA CNC1(C(N)=O)CCN(c2nnc(C(F)F)s2)CC1 2325802472 JBCPTXBSTDGOAV-UHFFFAOYSA-N 291.327 0.519 0 50 CCAA Nc1ncnc2c1ncn2C[C@@H]1C[C@H]1[C@@H]1CCNC1 2325857947 VRPRGCWYVOUHMA-UTLUCORTSA-N 258.329 0.654 0 50 CCAA CNC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 379908 ONAANWIFJNNRFG-UHFFFAOYSA-N 286.353 0.516 0 50 CCAA CCC[C@]1(C(=O)O)CCN(c2n[nH]c(=N)s2)C[C@@H]1O 2356154918 PNSGZNNDHSIGHB-CPCISQLKSA-N 286.357 0.393 0 50 CCAA Cc1nc2ccccc2n1S(=O)(=O)N1CCOCC1 4320271 NEDKPEYOECMIPG-UHFFFAOYSA-N 281.337 0.770 0 50 CCAA C[C@H]1C[C@H](C)C(=O)C(C(=O)CC2CC(=O)NC(=O)C2)C1=O 100538060 HVVJIIFHRADPPT-YUMQZZPRSA-N 293.319 0.429 0 50 CCAA O=C(NCCCn1ccccc1=O)[C@H]1CCCO1 57589044 SOXHHPPCOUYBJH-LLVKDONJSA-N 250.298 0.534 0 50 CCAA Cc1nc(CN2CCC[C@H](N[C@H]3C[C@@H](C)OC3=O)C2)no1 247951070 KJHWPHWUXQGEQO-USWWRNFRSA-N 294.355 0.636 0 50 CCAA Cc1cc(C(=O)N[C@@H]2CC[C@@H](N)C2)n(CCN(C)C)n1 67654717 ZPNAMMZVDYMOGJ-VXGBXAGGSA-N 279.388 0.363 0 50 CCAA CN1C[C@H](NC(=O)/C=C/c2ccccc2)C[C@H]1CO 65421484 CABQXKGSLJZKPV-NCRJZKAISA-N 260.337 0.881 0 50 CCAA CC1(C)CN(Cc2cn(C[C@H]3CCCNC3)nn2)CCO1 23505093 DCGLPXRPZQXXOQ-ZDUSSCGKSA-N 293.415 0.889 0 50 CCAA O=C(C[C@@]1(O)CCCNC1)NC[C@@H](O)c1ccc(F)cc1 864091687 GZJGATRPXHKSGW-HIFRSBDPSA-N 296.342 0.480 0 50 CCAA Cc1nc2c(c(N3CC[C@@H](CO)C3)n1)CCN(C)CC2 65382566 SWBNPJRAURCOLT-GFCCVEGCSA-N 276.384 0.634 0 50 CCAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2cnns2)C1 328625857 DOKSIWHSSZCTQA-NSHDSACASA-N 296.396 0.721 0 50 CCAA Cc1cc(=NC(=O)CN2CC[S@@](=O)CC2(C)C)[nH]o1 329922067 GCTXMUUIIKVWOK-LJQANCHMSA-N 285.369 0.186 0 50 CCAA N=C(O)[C@H]1CC[C@@H](CNC(=O)N[C@@H]2[C@H]3COC[C@H]32)O1 332948318 RYIZWUKTDJVIMX-SRQGCSHVSA-N 269.301 0.013 0 50 CCAA CCO[C@@H]1C[C@H](NC(=O)[C@@]2(OC)CCOC2)[C@@]12CCCO2 332933713 DIHPICRYADUQCQ-MXYBEHONSA-N 299.367 0.635 0 50 CCAA CN(C)c1cnc(C(=O)NC2(c3nc[nH]n3)CCC2)cn1 333279508 PEBIURLYIFAWHW-UHFFFAOYSA-N 287.327 0.470 0 50 CCAA CN(C)[C@H]1CCN(Cc2cc3n(n2)CCCNC3)C1 72153658 ZBKPZGCHKLLZLW-ZDUSSCGKSA-N 263.389 0.512 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)N[C@@H]2CC23CC3)CC1 335129440 LPIGANMMYRUWHI-SNVBAGLBSA-N 266.345 0.548 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)[C@H](C)n2cccn2)C1 630249946 QCDVQAVHDHWIJQ-CABZTGNLSA-N 267.285 0.146 0 50 CCAA CC(C)Oc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2)cc1 151017823 RFAFSWUTKCABFA-GXTWGEPZSA-N 278.352 0.813 0 50 CCAA C[C@H](OCC1CC1)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 246836891 DGAPLYNHKUSGSO-KCQAQPDRSA-N 296.411 0.981 0 50 CCAA C=CC(=O)NCCC(=O)N1C[C@H](C(=O)OC)C2(CCC2)C1 365667366 CEBISFYSCKRYBU-LLVKDONJSA-N 294.351 0.480 0 50 CCAA CC(C)N1CC(=O)N([C@H]2CCN(c3cnn(C)c3)C2)C1=O 372910966 VNKAIPUSKLCWGY-NSHDSACASA-N 291.355 0.671 0 50 CCAA OC[C@@]1(O)CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1 72476014 ZBULSWXKMZOWEE-CQSZACIVSA-N 277.324 0.989 0 50 CCAA O=c1c2ccc(F)cc2ncn1C[C@H]1COCCO1 43125130 HNXYQLUFFVMRRV-JTQLQIEISA-N 264.256 0.951 0 50 CCAA CC(C)COCCN1C[C@H](c2cnn(C)c2)[C@@H](C(N)=O)C1 286841002 UOKABCRLJWSLBP-KGLIPLIRSA-N 294.399 0.593 0 50 CCAA CCc1cc(C(=O)N2CCN(C3CCOCC3)CC2)[nH]n1 176824558 BYPWQHDXCZFTNB-UHFFFAOYSA-N 292.383 0.909 0 50 CCAA COc1cncnc1NC(=O)N[C@@]1(C)CCOC1 294195289 LLBZHYDKBJGXBF-NSHDSACASA-N 252.274 0.786 0 50 CCAA Cn1cnnc1SCCNC(=O)N1CCSCC1 426478107 WWEDYIHYUHBECV-UHFFFAOYSA-N 287.414 0.666 0 50 CCAA C[C@@H](C(=O)NCCCc1nn[nH]n1)N1CCCCC1 426490633 OEUSUPJJSSEXFR-JTQLQIEISA-N 266.349 0.123 0 50 CCAA COc1cc(F)c(C(=O)N[C@@H]2CCN(C)C2=O)c(F)c1 223618316 BNWGOEDLDTXXRW-SNVBAGLBSA-N 284.262 0.934 0 50 CCAA O=C(O)[C@H]1CN(Cc2ccc3c(c2)CCO3)CCO1 86805766 BHURUSOLGMRAES-CYBMUJFWSA-N 263.293 0.907 0 50 CCAA CO[C@@H]1COCC[C@H]1NC(=O)CCN1CCCCO1 223553954 VIYSYIUWWSTSEA-VXGBXAGGSA-N 272.345 0.324 0 50 CCAA CCCc1cc(C(=O)NC2(C(=O)O)CCOCC2)no1 95361400 CBAJFGALOXYXGT-UHFFFAOYSA-N 282.296 0.991 0 50 CCAA C[C@@H]1C[C@H](NC(=O)c2n[nH]c3ccccc23)C(=O)O1 267829999 JVIHOWYAVBXKNL-XCBNKYQSSA-N 259.265 0.997 0 50 CCAA COCC[C@]1(O)CCN(CCn2ccnc2)C[C@H]1C 92062254 NIDARASLPVUCSA-ZIAGYGMSSA-N 267.373 0.993 0 50 CCAA CCc1ocnc1C(=O)NC[C@@]1(C)CCC(=O)N1 622680023 OQLZSZSLXTULRH-GFCCVEGCSA-N 251.286 0.636 0 50 CCAA Nc1nc(N2CCOCC2)cc([C@H]2C[C@@H](O)C2)n1 244594314 DKUXPUVOMOSGQJ-DTORHVGOSA-N 250.302 0.134 0 50 CCAA CCn1ccc(C(=O)N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)cc1=O 534659689 BFWFEKZWOXCLGH-KPWCQOOUSA-N 287.363 0.691 0 50 CCAA Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c(O)nc1C 299762947 FCBBABXZVALFBG-URLYPYJESA-N 276.292 0.807 0 50 CCAA NC(=O)CNC(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299757920 DGLDEEQKSPIVDK-MJBXVCDLSA-N 287.363 0.814 0 50 CCAA Cc1n[nH]c(C)c1CC(=O)NCCN1CCC(CO)CC1 299787784 ZKOOWIFDOVDPKY-UHFFFAOYSA-N 294.399 0.390 0 50 CCAA Cn1cc(CC(=O)N[C@H](CC2CC2)C(=O)O)cn1 630159782 OOZYKDUGNWOSMJ-SNVBAGLBSA-N 251.286 0.332 0 50 CCAA CCN(CCn1cccn1)C(=O)NCc1cc[nH]n1 823056116 QQWPBZVAOPMFGY-UHFFFAOYSA-N 262.317 0.838 0 50 CCAA C[C@H](NC(=O)CCCN1CCCC1)c1nc(N)n[nH]1 584900109 MHVKYLZCADHDBN-VIFPVBQESA-N 266.349 0.440 0 50 CCAA Cc1nc(CCN(C)Cc2c(CO)cnc(C)c2O)no1 670462330 KREBYRVHWGEEAD-UHFFFAOYSA-N 292.339 0.954 0 50 CCAA Cn1cnc(CNC(=O)N2C[C@H](N)C3(CCC3)C2)c1 1553538465 LIKOPBLHSQBQMG-NSHDSACASA-N 263.345 0.443 0 50 CCAA CN1CCc2ncnc(N3Cc4nn(C)c(N)c4C3)c2C1 1875268203 LNADOZUESPJMDL-UHFFFAOYSA-N 285.355 0.300 0 50 CCAA O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)c1ccnc(C2CC2)n1 1875292978 YOLQOWLXIQVIHH-HNXYLICVSA-N 273.292 0.947 0 50 CCAA O=C(NO[C@@H]1CCOC1)[C@H]1CCCc2c[nH]nc21 1875259431 NWFSMTMPIGCJGX-ZJUUUORDSA-N 251.286 0.666 0 50 CCAA O=C(CCn1ccnc1)N[C@@H]1C[C@@H](O)C12CCOCC2 887016991 SJCIQNUWROCRTI-VXGBXAGGSA-N 279.340 0.319 0 50 CCAA N[C@@H]1CN(C(=O)COCc2ccccn2)CC12CCC2 1775962545 RJPRCFMLWYXDCR-CYBMUJFWSA-N 275.352 0.938 0 50 CCAA Cn1nccc1C(=O)N1CC[C@H](c2cc(O)n[nH]2)C1 898212052 BIJIOXXGJLAUHT-QMMMGPOBSA-N 261.285 0.479 0 50 CCAA C[C@H](O)CN(CC(=O)N[C@@H](C)c1ccco1)[C@@H](C)CO 170604027 FDUULUGABCXUBQ-SRVKXCTJSA-N 284.356 0.520 0 50 CCAA CCN(CC)CCCN1CCCN(C(N)=O)CC1 170607408 NIZWVUICXQCRIL-UHFFFAOYSA-N 256.394 0.805 0 50 CCAA COC1(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)CCCCC1 407964546 JNCFLGQALXZZFS-LLVKDONJSA-N 289.397 0.981 0 50 CCAA CC(C)N1CCN(CCCN2CCN3CC[C@H]2C3)CC1 408523211 HWYKHEXBUYAYID-INIZCTEOSA-N 280.460 0.792 0 50 CCAA O=C(O)[C@@]12C[C@H]1CCN2S(=O)(=O)c1ccccc1 222023029 JNWMJNLRZRSSRF-BXKDBHETSA-N 267.306 0.924 0 50 CCAA CN1CCO[C@H](CNC(=O)c2ccnc(Cl)c2)C1 110483902 ZNHBCPZGIXXVIW-SNVBAGLBSA-N 269.732 0.795 0 50 CCAA CCc1nc(Cn2ccc(=O)n(C)c2=O)cs1 641731552 BEZJVDPRLXBXTP-UHFFFAOYSA-N 251.311 0.614 0 50 CCAA COc1ccc(CNC(=O)Nc2cnnn2C)cn1 225850237 FALABCOGSITZTL-UHFFFAOYSA-N 262.273 0.540 0 50 CCAA CN1CCN(C(=O)c2cccc(O)c2)C[C@H]1C(=O)O 67605848 BFMHVCBRMZFTRP-NSHDSACASA-N 264.281 0.233 0 50 CCAA COc1cc(CN2CC[C@@H](N(C)CCO)[C@H]2C)on1 660619265 WFTNJJRYNLHMGB-ZYHUDNBSSA-N 269.345 0.570 0 50 CCAA CCc1nccn1C[C@H](C)NC1CCN(CC(=O)O)CC1 1506417752 BKEHAWXTNCZRQH-LBPRGKRZSA-N 294.399 0.973 0 50 CCAA CN(CCN(C)C1CCCC1)C(=O)c1ncc[nH]c1=O 1506397095 PIHXYMQBQWWMOD-UHFFFAOYSA-N 278.356 0.716 0 50 CCAA CCc1cc(NCc2nc(O)n[nH]2)nc(N(C)C)n1 1506422680 BMBIGYMDXCXCOS-UHFFFAOYSA-N 263.305 0.541 0 50 CCAA O=C1NCC2(CN(c3cnc4ccccc4n3)C2)N1 1857679064 WALYYPCBNJDTLM-UHFFFAOYSA-N 255.281 0.501 0 50 CCAA C[C@H]1CN(c2ncnc(N)c2Cl)C[C@H](CO)O1 225490285 UHMFEGWHLFCHSQ-NKWVEPMBSA-N 258.709 0.298 0 50 CCAA CC(C)CN1CCN(C(=O)c2cnn(C)c2)[C@H](C)C1=O 335892554 JMCZMZFHGPVOSE-LLVKDONJSA-N 278.356 0.749 0 50 CCAA O=C(NCCCO)NS(=O)(=O)c1ccccc1 1875329879 HVCUDBLGNJTKQR-UHFFFAOYSA-N 258.299 0.057 0 50 CCAA CC(C)c1cc(C(=O)N2CCOC[C@H]2C(=O)O)on1 262433379 FBVNMRANAREXPX-VIFPVBQESA-N 268.269 0.724 0 50 CCAA CN1C(=O)[C@H]2COC[C@@H]1CN(c1ncc(Cl)cn1)C2 1875247633 MTWUMWBMSMDKOW-SCZZXKLOSA-N 282.731 0.423 0 50 CCAA CCC[C@@]1(CO)CN(C(=O)c2cnc(O)[nH]2)CC[C@H]1O 1875251582 XEHSFBAOLRTOEH-MFKMUULPSA-N 283.328 0.101 0 50 CCAA CCOc1cc(N2CCO[C@H](c3nncn3C)C2)ncn1 328632443 RVMMRQBQBMTBQH-JTQLQIEISA-N 290.327 0.582 0 50 CCAA O=C(O)[C@H]1CN(C(=O)Cc2cc(F)ccc2F)CCO1 237965954 WCAPUYOLBDNDFG-LLVKDONJSA-N 285.246 0.819 0 50 CCAA O=C(Nc1ccn([C@H]2CCNC2)n1)[C@H]1COc2ccccc21 548017437 CXBCQWTZYUXAFN-AAEUAGOBSA-N 298.346 1.532 0 50 CCAA O[C@@]1(Cn2ccnn2)CCN(c2cnc3ccccc3n2)C1 671467014 SZTKLBNTTFDHON-HNNXBMFYSA-N 296.334 0.863 0 50 CCAA C=CC(=O)N(CC)CC(=O)N[C@@H]1CC(=O)N(C(C)C)C1 900499334 URZJUXQZDJEGKQ-LLVKDONJSA-N 281.356 0.146 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(O)c(F)c1)C2 1704309243 LNUSHABVALCOPO-JQWIXIFHSA-N 294.326 0.934 0 50 CCAA Cn1c(=NC(=O)[C@H](O)C(C)(C)O)sc2ccccc21 908280075 OEKDBOOJNATIRE-JTQLQIEISA-N 280.349 0.799 0 50 CCAA CC[C@H]1CN2CCC[C@@H]2CN1C(=O)CCc1cnn(C)n1 826683778 CBPSALYKEMPKFU-UONOGXRCSA-N 291.399 0.833 0 50 CCAA O=C(CCc1cnn[nH]1)NC[C@]12CCC[C@H]1OCC2 830759814 WCLGJTKEBMTICL-DGCLKSJQSA-N 264.329 0.813 0 50 CCAA C[C@@H]1OCCO[C@@H]1C(=O)N1CCOc2ncccc21 934167220 OOQJTTHQUZBOJL-ONGXEEELSA-N 264.281 0.611 0 50 CCAA Cn1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1=O 144351626 BVQMRRWNHUUPRB-LLVKDONJSA-N 261.325 0.352 0 50 CCAA C[C@H](N)[C@H]1CCCCN1C(=O)c1cccn(C)c1=O 269193695 RXJRGFVUDHOFKX-CMPLNLGQSA-N 263.341 0.727 0 50 CCAA CNC(=O)[C@H]1CCCCN1Cc1nnc(C)s1 271387606 FMVVCDOORZCTSA-SECBINFHSA-N 254.359 0.947 0 50 CCAA NCC1(O)CCN(C(=O)COc2ccccc2F)CC1 567732691 OGXAVFBBXMFDPV-UHFFFAOYSA-N 282.315 0.517 0 50 CCAA O=C(Cc1ccncc1)N1CCOC[C@@H](CO)C1 77355265 CGJHSMRBCLKSTE-GFCCVEGCSA-N 250.298 0.091 0 50 CCAA O=C(O)[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 630155037 FEJMODQANNXDKY-BREBYQMCSA-N 253.298 0.879 0 50 CCAA Cc1ccnc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c1 644710861 BDGRBISCTGSDIT-ZDUSSCGKSA-N 283.397 0.856 0 50 CCAA CC(C)N1CCC(N2CCO[C@@H](c3nn[nH]n3)C2)CC1 2100477652 FKNFNPNQOJHOJP-GFCCVEGCSA-N 280.376 0.446 0 50 CCAA O=C(O)C[C@@H](NC(=O)c1ncsc1C1CC1)C(=O)O 1875288672 VEINGKLFXQOLDM-ZCFIWIBFSA-N 284.293 0.678 0 50 CCAA Cc1nc(=NC(=O)c2cccnc2-n2cncn2)s[nH]1 2325748748 RJPWEPYMIVEYDT-UHFFFAOYSA-N 287.308 0.496 0 50 CCAA Cc1cc(C)n(C[C@H](C)NC[C@H](O)Cn2cccn2)n1 2325754283 JVGWJZDMECMUTF-JSGCOSHPSA-N 277.372 0.736 0 50 CCAA Cc1nc([C@@H]2CCN(C(=O)[C@H](C(=O)O)C(C)C)C2)n[nH]1 911771759 DNRSQDKYKQKQOW-NXEZZACHSA-N 280.328 0.786 0 50 CCAA Cc1ccccc1OCC(=O)NN1CCN(C)CC1 467699 KUKMUIZWKCFHMW-UHFFFAOYSA-N 263.341 0.652 0 50 CCAA Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC(C)C 8725058 LYXVEPYLFBJSGE-UHFFFAOYSA-N 289.339 0.949 0 50 CCAA biogenic Cc1nnc(CN2CCn3c(O)nnc3C2)n1C1CC1 329999935 VPRLLYUPNZHQKD-UHFFFAOYSA-N 275.316 0.234 0 50 CCAA C[C@H]1[C@H](N)CCN1S(=O)(=O)c1ccc2c(c1)OCO2 420427803 KRNZNCCDGPRZEW-WCBMZHEXSA-N 284.337 0.526 0 50 CCAA O=C1NC(=S)N/C1=C1\C(=O)Nc2ccc(F)cc21 100496596 JIUAHHYMXUZMEU-FPLPWBNLSA-N 263.253 0.493 0 50 CCAA O=C([C@@H](c1ccccc1)n1cnnn1)N1CCCO1 20819195 PTSVYIQEWNTSKM-LLVKDONJSA-N 259.269 0.426 0 50 CCAA Cc1cc(C)cc(NC(=O)CC(=O)NCC(N)=O)c1 55385197 CSWYZDAHOQRFEV-UHFFFAOYSA-N 263.297 0.234 0 50 CCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C/C=C/c1ccccc1 67878318 VNSWVCZNFWZJKY-NSDHSQQOSA-N 287.363 0.764 0 50 CCAA COC[C@@H](c1ccccn1)N(C)C(=O)c1c[nH]c(=O)cn1 67842029 LHBGRJCUEQAWGK-LBPRGKRZSA-N 288.307 0.625 0 50 CCAA C[C@H]1CN([C@H](C)CNC(=O)[C@H]2CCCO2)C[C@@H](C)O1 229233298 IJUMMMLZFSZDTC-FVCCEPFGSA-N 270.373 0.779 0 50 CCAA O=C(c1ccc[nH]1)N1CCN(C[C@H]2CCOC2)CC1 178080268 WDXDBQFKOYURDX-GFCCVEGCSA-N 263.341 0.809 0 50 CCAA C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1OC[C@H]2COCC[C@H]21 332852291 AHXWHBUVEJTOBD-DHGKCCLASA-N 299.367 0.348 0 50 CCAA C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21 333319321 WQZVAFRXWBNSMF-YFKTTZPYSA-N 275.370 0.747 0 50 CCAA CO[C@@H]1CN(C(=O)C[C@H]2COc3ccccc3O2)C[C@H]1O 333688763 BMDWNZNHAODKRP-MISXGVKJSA-N 293.319 0.435 0 50 CCAA O=C(NCCN1CCNC1=O)c1cccc(-n2cccn2)c1 77472517 CGEPYSJRRDFDIA-UHFFFAOYSA-N 299.334 0.627 0 50 CCAA COC[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)CC(C)(C)O1 284918999 CLQAWOIBTWAGMB-LBPRGKRZSA-N 294.351 0.651 0 50 CCAA CSC[C@@H](C)C(=O)N1CCOC[C@H]1CC(=O)O 261542259 OISIOCPODCAFGS-RKDXNWHRSA-N 261.343 0.688 0 50 CCAA O=C(NCc1nc2cc(F)ccc2[nH]1)[C@H]1C[C@@H](O)CN1 262368559 JRYZNYLIFQZVMK-LDYMZIIASA-N 278.287 0.041 0 50 CCAA Cc1nc[nH]c1C(=O)N1CCC[C@@](O)(CN(C)C)C1 72168882 KVENEKDWUUYPCH-CYBMUJFWSA-N 266.345 0.247 0 50 CCAA Cc1n[nH]cc1C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 375983787 BTAJBIGAMQLDSL-LLVKDONJSA-N 278.312 0.533 0 50 CCAA CNS(=O)(=O)c1ccc(NCC[S@@](C)=O)cc1 158420967 JYPMUGXNVUAAQN-INIZCTEOSA-N 276.383 0.385 0 50 CCAA Cc1c[nH]nc1CNC[C@]1(N2CCOCC2)CCCOC1 377407998 CYMHQEYMRQGHPE-OAHLLOKOSA-N 294.399 0.689 0 50 CCAA CCCO[C@@H](C)C(=O)NCCSc1nncn1C 221155898 VRIPJNLTJSYOLD-VIFPVBQESA-N 272.374 0.839 0 50 CCAA CNCc1nnc(S[C@@H](C)C(=O)NC2CC2)n1C 426500368 XUKBTIAZFQDHGE-ZETCQYMHSA-N 269.374 0.294 0 50 CCAA CC(C)NCCC(=O)N1CC[C@](O)(C(F)(F)F)C1 161815859 BOAKFQIDUJDEGW-SNVBAGLBSA-N 268.279 0.900 0 50 CCAA Cc1cnn(CCNC(=O)[C@H]2CCC(=O)N(C3CC3)C2)c1 91713107 CHNISFCVCSLHIH-LBPRGKRZSA-N 290.367 0.709 0 50 CCAA CCC[C@@]1(CO)CCCN(CCCn2cnnn2)C1 91712979 FMRPPMHEAJYPAL-CYBMUJFWSA-N 267.377 0.938 0 50 CCAA C[C@]1(O)CCN(C(=O)COc2ccc(F)cc2)C[C@@H]1O 96162942 BOOZHCOIWBSSCP-JSGCOSHPSA-N 283.299 0.549 0 50 CCAA Cc1nnc(CN(C)C(=O)[C@H]2CC[C@@H](O)CC2)o1 244899738 ZPDOGYQOCPKCQH-AOOOYVTPSA-N 253.302 0.888 0 50 CCAA C=CC(=O)NCCC(=O)Nc1cccc(N(C)C)n1 183934674 SJMGPLPPGPYIRW-UHFFFAOYSA-N 262.313 0.778 0 50 CCAA CCOC(=O)CC[C@]1(C(=O)OCC)CNC(=O)C1 601014829 XYNXXUYEXYEGEP-GFCCVEGCSA-N 257.286 0.399 0 50 CCAA O=C(NCc1cc2ccccc2o1)[C@@H]1C[C@@H](O)CN1 299747632 DLVROJOSCOTRAK-PWSUYJOCSA-N 260.293 0.772 0 50 CCAA NC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CNCCO3)C1 299789927 ASWSWSHCXJFDAI-CYBMUJFWSA-N 289.379 0.866 0 50 CCAA COCC1(C(=O)NCCCN2CCC[C@H](O)C2)CC1 824347373 ZDNIVGRTXRLLIA-LBPRGKRZSA-N 270.373 0.376 0 50 CCAA C[C@]1(C(=O)N2CCC3(CC2)COC(=O)O3)CCCNC1 584902929 WQERLMFTXMUUJB-ZDUSSCGKSA-N 282.340 0.904 0 50 CCAA CN1CCCCC[C@H]1C(=O)NCCCN1CCCC1=O 823778701 ZOUOIYDFWYGCJQ-ZDUSSCGKSA-N 281.400 0.990 0 50 CCAA CCOc1ccnc(N2C[C@@H]3CCC[C@H](C2)C(=O)N3)n1 670460042 DEWANSOZODXNEM-MNOVXSKESA-N 276.340 0.980 0 50 CCAA O=C(CCn1cncn1)NCc1n[nH]c2c1CCCCC2 584900861 AAUHMCNUALFBQF-UHFFFAOYSA-N 288.355 0.977 0 50 CCAA CCCN1CCN(CCC(=O)Nc2cccnc2)CC1=O 670446919 XKZQJINQCUMIPJ-UHFFFAOYSA-N 290.367 0.964 0 50 CCAA Cc1cnn(CC(=O)N2CCOC[C@H](CN(C)C)C2)c1 670439316 AEEAZPGTWZLVGK-CYBMUJFWSA-N 280.372 0.228 0 50 CCAA Cc1cc(CN(C)Cc2cc(O)nc(O)n2)no1 670461847 SIEHMNJCMOYYRP-UHFFFAOYSA-N 250.258 0.816 0 50 CCAA CNS(=O)(=O)CCN[C@@H]1CCN(c2ccccc2)C1 682189552 ZSLDMFPNWXYFPS-GFCCVEGCSA-N 283.397 0.404 0 50 CCAA CC(C)(C)c1nnc(C(=O)N2C[C@H](O)C3(CC3)C2)o1 1875282912 XYAWZWIVBGABSG-QMMMGPOBSA-N 265.313 0.964 0 50 CCAA O=C(N=c1cc2n([nH]1)CCC2)c1cn(CC2CC2)nn1 1875274487 CKFXCWHAPRNDPB-UHFFFAOYSA-N 272.312 0.505 0 50 CCAA O=C(N[C@@H]1CCc2ccccc21)[C@H](O)CN[C@H]1CCOC1 1875308812 YRNNQFQDVPCZIA-NWANDNLSSA-N 290.363 0.530 0 50 CCAA COC(=O)/C=C/CNC(=O)c1ccn(CC(F)(F)F)n1 1875312039 REAFXXVZWAGOTH-NSCUHMNNSA-N 291.229 0.904 0 50 CCAA Cn1cnnc1[C@@H]1CCN([C@@H]2C[C@H](C(C)(C)C)NC2=O)C1 1875397149 NREFAZGCZZTURD-IJLUTSLNSA-N 291.399 0.908 0 50 CCAA Cc1cc(N)n(CC(=O)N(C)CC2(C)COC2)n1 952988269 MXHGIINCXKYMGP-UHFFFAOYSA-N 252.318 0.269 0 50 CCAA CN1C[C@@H]2CN(C(=O)c3ccc(C(N)=O)o3)C[C@]2(C)C1 887930535 MWXFIUUOYIWJLQ-OTYXRUKQSA-N 277.324 0.402 0 50 CCAA Cc1nccn1CCCN1CCN([C@@H]2CCNC2)CC1 244900308 ZZWQLJDACBPLFY-OAHLLOKOSA-N 277.416 0.561 0 50 CCAA C[C@]1(O)CCN(C(=O)CN2CCc3ccccc32)C[C@H]1O 1565511341 DURRWDSXJORQIO-ZBFHGGJFSA-N 290.363 0.393 0 50 CCAA COC(=O)C(C(=O)OC)c1ncc(Br)cn1 74934343 YXNZSTOSBATLOU-UHFFFAOYSA-N 289.085 0.669 0 50 CCAA in-vitro CC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 630441281 XNGKTWOXBPORCF-GHMZBOCLSA-N 260.359 0.516 0 50 CCAA C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccnn2C)CCN1C 274137248 ITLRRKMYWKPVGC-WDEREUQCSA-N 286.401 0.523 0 50 CCAA O=C([C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)N1CCCC1 275273903 KFOSETBPWJLLKE-VXGBXAGGSA-N 275.308 0.580 0 50 CCAA COC[C@@H](C)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 275655389 UQXDITRTTMZQQA-VXGBXAGGSA-N 280.372 0.374 0 50 CCAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1nccc(N)n1 277419896 UWBWATHHLQPUBF-ZJUUUORDSA-N 264.329 0.880 0 50 CCAA CC(C)(O)[C@@H]1CCCN1C(=O)N[C@H]1CC[S@@](=O)C1 408210717 JXWJDINBUKHAFU-LXIMFEHMSA-N 274.386 0.452 0 50 CCAA C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCOC1 408454672 VVAQAIFNRCYXCY-SNVBAGLBSA-N 275.351 0.980 0 50 CCAA Cc1cc(C(=O)N(C)[C@H]2CCNC2)ccc1S(N)(=O)=O 408513555 XVHIQUUYWHCKCC-NSHDSACASA-N 297.380 0.076 0 50 CCAA CCOCCC(=O)NS(=O)(=O)c1cnc2n1CCC2 225789515 LYAKDOBBYVFDKB-UHFFFAOYSA-N 287.341 0.061 0 50 CCAA CSCC(=O)Nc1nnc(CCN(C)C)s1 1506412908 GGESPFALCJSBLI-UHFFFAOYSA-N 260.388 0.944 0 50 CCAA CC[C@@H](C(=O)NC1CCN(CC(=O)O)CC1)N(C)CC 1506400725 KXZPYKVUTSEAAI-LBPRGKRZSA-N 285.388 0.382 0 50 CCAA Cc1cc(=O)cc(O)n1Cc1nnc2ccccn12 1547211014 FBJNWMTZCMWTQA-UHFFFAOYSA-N 256.265 0.953 0 50 CCAA CC(C)S(=O)(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615958657 JTFLKGYPCKKWHN-STQMWFEESA-N 284.381 0.967 0 50 CCAA CO[C@H]1C[C@@H](N(C)c2ccc(S(N)(=O)=O)cn2)C1 606445054 IUOCEDYXHLLYAM-DTORHVGOSA-N 271.342 0.343 0 50 CCAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)N2CCCC2)C1 229310488 KOTXHQUPBUQKAQ-QWRGUYRKSA-N 261.391 0.257 0 50 CCAA O=C([C@@H]1C2CCN1CC2)N1CCO[C@]2(CCOC2)C1 1875329497 ZGCMTGHILLVPKR-GXTWGEPZSA-N 266.341 0.099 0 50 CCAA CSCC[C@@H](O)C(=O)NCCCc1cnn(C)c1 220527843 RZSMLYDZIUZBIZ-LLVKDONJSA-N 271.386 0.583 0 50 CCAA O=C(CC1=CCCC1)N1C[C@@H]2CNC[C@]2(CO)C1 1772818827 LVCMWMDAUOOPCQ-GXTWGEPZSA-N 250.342 0.527 0 50 CCAA CC(=O)N1CCC(NC(=O)N[C@H]2CCC[C@@H]2CN)CC1 1857528425 DFJUXSVNFHBQDD-YPMHNXCESA-N 282.388 0.424 0 50 CCAA CC(C)(C)[C@H]1CN(C(=O)[C@@H]2CCCN2C=O)CCO1 408522772 DDZBONZQTUHSCE-NWDGAFQWSA-N 268.357 0.881 0 50 CCAA O=C(NCC[C@@H]1CC1(F)F)c1cnnn1C1CCNCC1 621670476 OQVSCBYMFSMQNH-SECBINFHSA-N 299.325 0.978 0 50 CCAA COCc1csc(C(=O)Nc2ncn(CC(=O)O)n2)c1 656851424 LGPPDRXLLCNJSW-UHFFFAOYSA-N 296.308 0.823 0 50 CCAA COc1ncc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1Cl 375301359 FNECIKHKRRFUQO-SECBINFHSA-N 299.714 0.070 0 50 CCAA Cn1cnc(S(=O)(=O)NCc2ccc(CCO)cc2)c1 908272571 JHHBWBRDKNJDJP-UHFFFAOYSA-N 295.364 0.433 0 50 CCAA O=C(O)CC1CCN(C(=O)Cc2cnc[nH]2)CC1 908681072 LVARVWBQFJCRHA-UHFFFAOYSA-N 251.286 0.666 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCC[C@@]1(C)C(=O)OC 820432665 ODXJGAKNVQZZDP-AWEZNQCLSA-N 282.340 0.575 0 50 CCAA O=C(O)CN1CC[C@@H](n2nnc(-c3cccs3)n2)C1=O 853005013 XTWGZWDKZAJQOA-SSDOTTSWSA-N 293.308 0.260 0 50 CCAA O=C([C@H]1CCS(=O)(=O)C1)N1CCC(c2ccn[nH]2)CC1 125593211 HGSIKDNYDYXYEL-NSHDSACASA-N 297.380 0.550 0 50 CCAA O=C(O)[C@@H]1COCCN1C(=O)c1ccc2nccn2c1 268986370 QCBLVSLYTFHKIX-JTQLQIEISA-N 275.264 0.260 0 50 CCAA Cn1nnc(CN2CCC(OC[C@H]3CCCO3)CC2)n1 194440202 BIQSDQYKKAONLZ-GFCCVEGCSA-N 281.360 0.370 0 50 CCAA Cn1nccc1CSc1nnc(CCN)n1C 426509313 GMVZJKFYXTWBKW-UHFFFAOYSA-N 252.347 0.342 0 50 CCAA CN(C)C[C@H](O)CNC(=O)c1cncc(Cl)c1 534586836 LASXPVSGWCRAPO-SNVBAGLBSA-N 257.721 0.387 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@H]2CCNC[C@@H]2O)cc1F 710391302 CNFRYVRATVAVMI-RYUDHWBXSA-N 288.344 0.135 0 50 CCAA COCC[C@H]1CN(S(=O)(=O)C(C)C)CCO1 824384119 KVIHEGXWVDILBK-JTQLQIEISA-N 251.348 0.462 0 50 CCAA Nc1nnc(-c2ccccc2O)cc1N1CCNCC1 1775953463 SZKHGLTYXIDOFH-UHFFFAOYSA-N 271.324 0.841 0 50 CCAA CN(C)[C@H]1C[C@H](C(=O)NC[C@@H](O)COc2ccccc2)C1 2325784751 HFWIGZJWHXGQRP-MGPQQGTHSA-N 292.379 0.883 0 50 CCAA COc1ccc(-n2nnc3cnn(C)c3c2=O)cc1 500261 ZQFUJHQSBCDYQR-UHFFFAOYSA-N 257.253 0.523 0 50 CCAA CCS(=O)(=O)c1nnc(N(C)C(=O)NC)s1 2555387 KCOCSOWTADCKOL-UHFFFAOYSA-N 264.332 0.107 0 50 CCAA in-vitro CCCc1cc(C(=O)N2C[C@H]3C(=O)OC[C@H]3C2)n(C)n1 2356165207 YHISXKHPIBOTRB-MWLCHTKSSA-N 277.324 0.618 0 50 CCAA C[C@H](O)CNC(=O)C(=O)NCc1ccc(Cl)cc1 2813981 IMCWUEVCUTZIEG-QMMMGPOBSA-N 270.716 0.453 0 50 CCAA CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2CO 3860384 POORJMIIHXHXAV-SOYHJAILSA-N 260.286 0.375 0 50 CCAA biogenic,in-vitro COc1cc(NC[C@@H](O)CS(=O)(=O)O)cc(OC)c1 4517650 AOTXQRRUWFSXCN-SECBINFHSA-N 291.325 0.364 0 50 CCAA N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](N2CCCC2)C1 227282124 MRYGAGWFFATSJE-RWMBFGLXSA-N 251.374 0.811 0 50 CCAA N[C@@H]1CC[C@@H](NC(=O)c2cnnn2-c2ccccc2)C1 67803203 TYOYOKYHJDTBNK-GHMZBOCLSA-N 271.324 0.877 0 50 CCAA CCC(O)(CC)CN1CCO[C@@H](c2nncn2C)C1 328621780 AUMIWVRVCPITNQ-LLVKDONJSA-N 268.361 0.740 0 50 CCAA CSCC[C@H](NC(=O)c1cccn1C)C(=O)O 20213931 UYYVLWYOBLAXRX-QMMMGPOBSA-N 256.327 0.961 0 50 CCAA NC(=O)[C@@H]1CCC[C@H](C(=O)N2CC(OC(F)F)C2)C1 346314370 OFBAGCAQCLRLRK-SFYZADRCSA-N 276.283 0.728 0 50 CCAA O=C(NC[C@@H]1CCNCC1(F)F)c1ncccc1O 423697792 LHDZZFDMPOFPLS-QMMMGPOBSA-N 271.267 0.762 0 50 CCAA CC[C@@H](C(=O)N1CCC(CC(=O)NC)CC1)N(C)C 120296709 LETMAIQCXHGRCN-LBPRGKRZSA-N 269.389 0.701 0 50 CCAA O=C1C[C@H](N2C(=O)C3(CCCC3)N=C2O)CN1C1CC1 329371128 MCRVUZYWVZCIHH-JTQLQIEISA-N 277.324 0.819 0 50 CCAA Cc1ccc(C2(O)CCN(C[C@H]3CNC(=O)O3)CC2)nc1 67908937 ZTYITBRTYPRUTM-GFCCVEGCSA-N 291.351 0.782 0 50 CCAA CCCCn1c(=O)n(CCO)c(=O)c2ccccc21 170624534 ICXIXQJRVTYVMS-UHFFFAOYSA-N 262.309 0.956 0 50 CCAA Cc1noc([C@H]2CN(Cc3cnn(C)c3C)CCN2C)n1 284924157 CTOHFFZFZJFLEJ-CYBMUJFWSA-N 290.371 0.909 0 50 CCAA NC[C@H]1CCCCN1C(=O)c1cn2cccnc2n1 237964725 WSRNMQLWXDYBHX-SNVBAGLBSA-N 259.313 0.683 0 50 CCAA CC1(S(=O)(=O)N2CCN(CC3CC3)CC2)CC1 334982591 ZIFJCXMKDPGYBN-UHFFFAOYSA-N 258.387 0.896 0 50 CCAA O=C(O)CNC(=O)Cc1ccc(N2CCCC2=O)cc1 238172061 LVXXYEIVUKSPJJ-UHFFFAOYSA-N 276.292 0.557 0 50 CCAA OCCOc1cncc(N2CCC[C@H](c3ccn[nH]3)C2)n1 133202239 RWPHYKSKLWNDRU-NSHDSACASA-N 289.339 0.955 0 50 CCAA Cn1ccc2ccc(C(=O)NCC(=O)NCC(=O)O)cc21 217976341 JIVKBQSMQBVTOS-UHFFFAOYSA-N 289.291 0.109 0 50 CCAA biogenic CCS(=O)(=O)Cc1c[n+]([O-])c2ccccc2[n+]1[O-] 71772408 VWMHOYDAMGHJNP-UHFFFAOYSA-N 268.294 0.041 0 50 CCAA COC[C@H]1CCCCN(C(=O)C2=NN(C)C(=O)CC2)C1 364128656 QPWYSMXHFZAOGL-NSHDSACASA-N 281.356 0.870 0 50 CCAA CCS(=O)(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 496229765 SNPSQZBBVPDHGA-VIFPVBQESA-N 296.389 0.154 0 50 CCAA CCn1nc(C)c([C@@H](C)NC(=O)CNC(C)=O)c1C 219827410 DNACYZHXPJQVFX-MRVPVSSYSA-N 266.345 0.833 0 50 CCAA COC(=O)[C@H]1CNCCCN1C(=O)OC(C)(C)C 44560033 GKLMJKMPXLLQQA-SECBINFHSA-N 258.318 0.758 0 50 CCAA COCC[C@H]1COCCN1C(=O)[C@H]1CCCc2nn[nH]c21 615113499 SMNBHKSZDOJUIJ-QWRGUYRKSA-N 294.355 0.489 0 50 CCAA CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1CCC[C@@H](C(N)=O)C1 223479913 RHLBCWMZENCYAI-VGMNWLOBSA-N 268.313 0.067 0 50 CCAA COC1CCN(C(=O)NCc2n[nH]c(C)n2)CC1 426522823 AGKOHGCQUVEFSO-UHFFFAOYSA-N 253.306 0.434 0 50 CCAA C[C@@H]1CN(C(=O)CSc2nncn2C)C[C@@]1(O)C1CC1 91625301 ZVERWOFYBUEAJX-RNCFNFMXSA-N 296.396 0.527 0 50 CCAA COc1ccccc1-n1cc(C(=O)N2C[C@@H](O)CO2)cn1 92036786 WGAOTDKDJJZTCR-LLVKDONJSA-N 289.291 0.629 0 50 CCAA N[C@H]1CN(c2nccc(NCC(=O)O)n2)C[C@@H]1C1CC1 95367070 ANLFRYQZHUCIGP-ZJUUUORDSA-N 277.328 0.147 0 50 CCAA c1ccn2c(Cn3cc(-c4ncc[nH]4)nn3)nnc2c1 95375825 VGXRJJDQOZLIPQ-UHFFFAOYSA-N 266.268 0.759 0 50 CCAA O[C@]12CCNC[C@H]1CN(c1ccncc1F)CC2 95354478 NHXZCELVMYCDKP-GWCFXTLKSA-N 251.305 0.771 0 50 CCAA C[C@H](CO)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 230210696 YLAFMJUXBITKQZ-SECBINFHSA-N 298.774 0.843 0 50 CCAA CCc1nccn1CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1 91468421 MHKRAQFVWPGRCA-NSHDSACASA-N 290.367 0.573 0 50 CCAA CC[C@H](C)[C@H](N)C(=O)NCCc1nnc(N)s1 243900986 AYDKSKYQTMSNCR-XPUUQOCRSA-N 257.363 0.152 0 50 CCAA C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCc2cnccc21 184454006 COGRLJFBKIMTFM-JOYOIKCWSA-N 268.338 0.951 0 50 CCAA O=C(NCc1nc(Cc2ccccc2)no1)[C@H]1C=CCN1 534637801 LYMGYRZPNFUDKS-GFCCVEGCSA-N 284.319 0.805 0 50 CCAA CCC[C@H](NC(=O)N1CCNC(=O)CC1)c1nccn1C 534652388 OFAQXUXUAKDGQW-NSHDSACASA-N 293.371 0.793 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)CCCN1CCOCC1 822619973 VKKNFIHYWGSMSH-CQSZACIVSA-N 294.399 0.890 0 50 CCAA CN(Cc1ncon1)S(=O)(=O)N1CCC(C)(C)CC1 823724770 BKCKSILVEFWZNV-UHFFFAOYSA-N 288.373 0.868 0 50 CCAA Cc1cccc(F)c1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 584888543 JCVKTRJKDBGVQU-RYUDHWBXSA-N 266.316 0.881 0 50 CCAA CC(C)[C@H](NC(=O)NCc1ccc2nc[nH]c2c1)C(N)=O 584898227 QNTPJEXNGZUUHX-LBPRGKRZSA-N 289.339 0.872 0 50 CCAA COc1cc(C(=O)N2CCN(C)[C@@H](CCO)C2)ccn1 584899054 KWPFELJDZJMMGL-LBPRGKRZSA-N 279.340 0.229 0 50 CCAA Cc1ncn(C)c1C(=O)N1CCN(C)C(C)(C)C1 584901235 IDJKWVOWXZOKTO-UHFFFAOYSA-N 250.346 0.895 0 50 CCAA COc1cccc(F)c1CN1C[C@@H](CO)[C@H](CO)C1 670450933 BSXTVBCCZYLAEN-QWRGUYRKSA-N 269.316 0.867 0 50 CCAA NC(=O)c1ccc(OCCCN2CCCNC(=O)C2)cc1 670446031 VEQRUNNIKDCODF-UHFFFAOYSA-N 291.351 0.376 0 50 CCAA Cn1ncc(Cl)c1C(=O)N1CC[C@H]([C@H](F)C(=O)O)C1 1548598411 DEPOAWFJJKHFMQ-XPUUQOCRSA-N 289.694 0.958 0 50 CCAA CS(=O)(=O)Nc1ccc([C@@H]2CNCC[C@@H]2N)cc1 757207389 ATIRCNZRYHPLEQ-RYUDHWBXSA-N 269.370 0.462 0 50 CCAA CCn1nnc(C)c1CN1CCC[C@@H](Cc2nn[nH]n2)C1 952881337 GTRKWQIGQZCPFB-NSHDSACASA-N 290.375 0.574 0 50 CCAA Cc1ccoc1CNC(=O)[C@H]1CC(=O)N(C2CN(C)C2)C1 952887791 JFEIUPNRVFFRON-NSHDSACASA-N 291.351 0.367 0 50 CCAA COC(=O)/C=C/CNC(=O)[C@](C)(O)c1cccc(F)c1 1875273454 YWZORPUOJXBNOZ-BTKRWWFXSA-N 281.283 0.879 0 50 CCAA N[C@]1(C(=O)NC[C@@H]2CCOC2=O)CCC[C@H]2C[C@@H]21 1875355604 ANYMFIDLQQPOGO-AVWBDOJWSA-N 252.314 0.183 0 50 CCAA O=C(CN1CCS[C@@H]2CCCC[C@@H]21)NCc1nn[nH]n1 1875331082 NYZBZUOFYJPWLJ-VHSXEESVSA-N 296.400 0.176 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCC(C)(C)CO)CC1 1875369473 QGWWVTNRXMZARD-UHFFFAOYSA-N 268.357 0.546 0 50 CCAA COCCn1nc2c(c1C(N)=O)C[C@H](C)O[C@@H]2C 1875314494 BFZYVEFUORRBDJ-JGVFFNPUSA-N 253.302 0.651 0 50 CCAA Cc1cc(N)n(CC(=O)N(CCO)Cc2ccco2)n1 952974838 CNGYBTMCMNFGJN-UHFFFAOYSA-N 278.312 0.388 0 50 CCAA NC(=O)N1CCC[C@@H](C(=O)NCCCn2cccc2)C1 952980861 YQCSRUIURXRMRE-GFCCVEGCSA-N 278.356 0.785 0 50 CCAA O=C(NCC1CCN(C(=O)CO)CC1)[C@@H]1CC12CC2 952971071 RGPRBOLLDAKSJC-NSHDSACASA-N 266.341 0.134 0 50 CCAA CO[C@@H]1CCCCN(CC(=O)N(C)c2nccn2C)C1=O 888076270 RTMDWKTYMOVXEU-LLVKDONJSA-N 294.355 0.410 0 50 CCAA CNS(=O)(=O)[C@@H]1CCN(Cc2cnn(C)c2C2CC2)C1 892236013 ARLYZMWXAOAVSX-GFCCVEGCSA-N 298.412 0.421 0 50 CCAA CCn1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3[C@H]2COC)n1 1565530221 WMDNEIHHURSPMG-LYIQGSDWSA-N 279.340 0.683 0 50 CCAA Cc1cc(N2CC[C@@H](Nc3ncccn3)C2=O)n(C)n1 301473173 QQQXQWKAUYYPMU-SNVBAGLBSA-N 272.312 0.736 0 50 CCAA O=C(NCCCN1Cc2ccccc2C1)[C@@H]1COCCO1 170613175 MOUOCKUMPUFHAR-HNNXBMFYSA-N 290.363 0.924 0 50 CCAA CCn1cnc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c1 408300270 HMNSVZNOTIPYPW-SNVBAGLBSA-N 272.374 0.228 0 50 CCAA Cc1ccc(C(=O)N2CCO[C@H](c3ncon3)C2)n1C 408301349 RQOFUDXIDRSBLQ-NSHDSACASA-N 276.296 0.930 0 50 CCAA C[C@@H]1CN(C(=O)c2ncccc2O)CC[S@@](=O)C1 408394471 KKLXGGMOVFYOPM-DYBLOJMWSA-N 268.338 0.628 0 50 CCAA CC(C)[C@](C)(O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 408364795 NCDIUTQHCCBCTL-JTQLQIEISA-N 282.262 0.584 0 50 CCAA COCCN1C[C@@H](C(=O)Nc2cn(C)nc2C)CCC1=O 1506408539 MXQWNFNELUUGSL-NSHDSACASA-N 294.355 0.552 0 50 CCAA O=S(=O)(NCc1ccc(CCO)cc1)C1CC1 908272904 MSJOWANDCYDPCL-UHFFFAOYSA-N 255.339 0.803 0 50 CCAA CN(C)CCc1nnc(NC(=O)[C@H]2CCCO2)s1 1529162262 YKDLNAUDGUEAEV-MRVPVSSYSA-N 270.358 0.760 0 50 CCAA CN(C)Cc1nc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cs1 1857723678 QKBPDCPKCNGLBP-MWLCHTKSSA-N 299.396 0.020 0 50 CCAA COCCOc1ccnc(NC(=O)N[C@@]2(C)CCOC2)n1 1615588241 ZVOFSGBENPXDEF-ZDUSSCGKSA-N 296.327 0.802 0 50 CCAA COC(=O)[C@H](Cc1ccc(OC)cc1)NC(C)=O 399342 HCLXPKBWRUCQAF-LBPRGKRZSA-N 251.282 0.915 0 50 CCAA in-vitro O=C(CCCN1CCOCC1)N1CCC[C@H](C2(O)CC2)C1 1772816113 IOONUMWUUNOTAM-AWEZNQCLSA-N 296.411 0.862 0 50 CCAA C[C@](O)(CNC(=O)[C@@H]1OC[C@H]2COCC[C@H]21)C(F)(F)F 367924258 JDCGMWURDOEQAJ-CDLYGTGVSA-N 297.273 0.467 0 50 CCAA CC(=O)S[C@H]1CS(=O)(=O)C[C@H]1SC(C)=O 17023660 YXOMJTPNTHKCHW-OCAPTIKFSA-N 268.381 0.711 0 50 CCAA Cc1ncnc(C)c1C(=O)N[C@H]1CCS(=O)(=O)C1 169947367 RIUMAGLLJJCQIM-VIFPVBQESA-N 269.326 0.010 0 50 CCAA O=C(O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225556 IGXVSENNUSQCOL-UHFFFAOYSA-N 271.294 0.406 0 50 CCAA in-vitro CCc1cc(C(=O)NC2(CC(=O)O)CCOCC2)n(C)n1 634803546 ZROVCCPNDNMADL-UHFFFAOYSA-N 295.339 0.736 0 50 CCAA CNCC(=O)N1CCN(c2ncnc3sccc23)CC1 237211189 QTYCTZBEIGTFLS-UHFFFAOYSA-N 291.380 0.559 0 50 CCAA CC(C)c1ncncc1C(=O)N1CCO[C@H](C(=O)O)C1 262137232 NBKCKHCFZDEFHH-JTQLQIEISA-N 279.296 0.526 0 50 CCAA C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@H]1C(=O)O 263257241 FVCGJDPJQXOUEG-GMTAPVOTSA-N 271.313 0.646 0 50 CCAA NC(=O)[C@@H]1Cc2ccccc2N(C(=O)[C@H]2COCCO2)C1 264865387 PFFVHUKSBBSENG-DGCLKSJQSA-N 290.319 0.093 0 50 CCAA C=CC(=O)N(CC)CC(=O)N1CCCC[C@@H]1C(=O)OCC 900443592 WSKDXMBIUVLEQU-GFCCVEGCSA-N 296.367 0.965 0 50 CCAA CN1C[C@H]2COC[C@@H]1CN(c1ncc(Cl)cn1)C2 1704316416 OSEGKLPLOKFRMO-KOLCDFICSA-N 268.748 0.897 0 50 CCAA O=C(O)[C@@H]1c2ccoc2CCN1C(=O)CN1CCCC1 910202648 IVERUXDEAWBRIY-ZDUSSCGKSA-N 278.308 0.886 0 50 CCAA O=C(CCn1cnccc1=O)NC[C@]12CCC[C@H]1OCC2 830758978 CGUTUVUDZQHQLL-IUODEOHRSA-N 291.351 0.709 0 50 CCAA O=C(NCc1cnn[nH]1)[C@H]1CCN(Cc2ccccc2)C1=O 934034203 YGMYRAWNCPMZSP-CYBMUJFWSA-N 299.334 0.470 0 50 CCAA NC(=O)[C@]1(O)CCCN(c2nccc(C(F)(F)F)n2)C1 225475850 OTCQYEZGECHOHS-JTQLQIEISA-N 290.245 0.312 0 50 CCAA CN(C)CCN(CC(=O)O)C(=O)[C@@H]1C[C@H]1C1CC1 237128154 NSVFFOLAEJXKPS-WDEREUQCSA-N 254.330 0.507 0 50 CCAA Cc1nc2n(n1)CCN(C(=O)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1N)C2 262680860 XEEWJYAWIDZOHY-UKJIMTQDSA-N 275.356 0.302 0 50 CCAA CCn1cc(CN=c2[nH]c(C)c(C(=O)OC)s2)nn1 404472705 MWYCWOIVBOEELT-UHFFFAOYSA-N 281.341 0.884 0 50 CCAA COC(=O)C[C@@H]1CN(C(=O)[C@H]2[C@H](C)C2(F)F)CCO1 408233307 STLSCKHNPHDAOM-QXFUBDJGSA-N 277.267 0.678 0 50 CCAA Nc1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)[nH]n1 80655655 NAMSJHARGVJXSK-JTQLQIEISA-N 263.345 0.692 0 50 CCAA O[C@H]1CN(Cc2cncs2)C[C@@H]1N1CCCC1 670436329 BDNVPBLCBPDNAG-RYUDHWBXSA-N 253.371 0.784 0 50 CCAA CC(C)NC[C@H](O)COc1ccc(NC(N)=O)cc1 389081 FGMUQNDVAWYYSW-NSHDSACASA-N 267.329 0.915 0 50 CCAA COc1ccc(-c2nn(CC(N)=O)cc2C=O)cc1 8306766 MTGCBZRECALBRS-UHFFFAOYSA-N 259.265 0.857 0 50 CCAA CN1CCN(C(=O)CNC(=O)C2CCCCC2)CC1 22289225 GZATZPIWBLFXTJ-UHFFFAOYSA-N 267.373 0.457 0 50 CCAA Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2Cc1ccco1 9227032 KGQZGCIVHYLPBH-UHFFFAOYSA-N 260.253 0.373 0 50 CCAA in-man Cn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CCOC2)C1 328719294 QFCQPXAOYIVXCF-FZMZJTMJSA-N 278.356 0.936 0 50 CCAA CN(C)C1=NC2(CCN(Cc3cscn3)CC2)C(=O)N1 214985860 SCLDTFXMLUKWOT-UHFFFAOYSA-N 293.396 0.525 0 50 CCAA Cc1cccc([C@H](NC(=O)[C@H]2COCCO2)C(=O)O)c1C 263074874 PJJCYBMLKRHQOX-OLZOCXBDSA-N 293.319 0.961 0 50 CCAA C[C@@H](CNC(=O)C1(C(N)=O)CC1)Oc1cccnc1 215667970 FYYJUFHAFKVFHT-VIFPVBQESA-N 263.297 0.231 0 50 CCAA CN(Cc1cnccn1)[C@@H]1CCN(c2cnn(C)c2)C1=O 177241673 XRVBDDGTMYVKNR-CYBMUJFWSA-N 286.339 0.447 0 50 CCAA CCN(C(=O)c1ccc2oc(=O)[nH]c2c1)[C@@H]1CCNC1=O 288222859 RBBHKTBUCRUTSA-SNVBAGLBSA-N 289.291 0.472 0 50 CCAA CS(=O)(=O)N1CCC(C(=O)Nc2cccnc2)CC1 48300052 NSXMWEPYRBSFEN-UHFFFAOYSA-N 283.353 0.692 0 50 CCAA C=CC(=O)NCCNC(=O)[C@H]1CC1(Cl)Cl 264713189 FBWCDQHGRXINEV-ZCFIWIBFSA-N 251.113 0.599 0 50 CCAA N[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1 178351505 HJWPCGNRQAKOHE-BWZBUEFSSA-N 279.262 0.003 0 50 CCAA N[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1 178329288 TZZZUCZDJDQISS-IWSPIJDZSA-N 293.289 0.393 0 50 CCAA O=C(c1cncc(=O)[nH]1)N1CCCC2(CCOCC2)C1 426646969 DVWQMZBJSSIWFO-UHFFFAOYSA-N 277.324 0.803 0 50 CCAA CN(C)C(=O)N1CCC(C(=O)NCCc2ncc[nH]2)CC1 134494953 KLOLLBXKVDVAPV-UHFFFAOYSA-N 293.371 0.462 0 50 CCAA CC(C)n1cnnc1CN(C)C(=O)[C@@H](C)N(C)C 426510007 GERGFQWRIBOBLE-SNVBAGLBSA-N 253.350 0.768 0 50 CCAA COC[C@@H]1CCCN1C(=O)NCCSc1nc[nH]n1 426374120 CTSGYFBRCIBYKP-VIFPVBQESA-N 285.373 0.717 0 50 CCAA CSCC(=O)N1CCN(C)[C@@]2(CCNC(=O)CC2)C1 92022734 QVSYVMQCWXBIGI-ZDUSSCGKSA-N 285.413 0.162 0 50 CCAA Cc1cc(=O)c(C(=O)NCCN2CCCCC2=O)cn1C 426500311 RGCGNWQKMIDYHD-UHFFFAOYSA-N 291.351 0.436 0 50 CCAA CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(CC)[nH]c(=O)c1 97436783 QZGYICDHHNZVNI-LBPRGKRZSA-N 291.351 0.678 0 50 CCAA O=C(CCCn1cncn1)N1CCC(c2ncon2)CC1 426621796 SPZFSTOSLWNERL-UHFFFAOYSA-N 290.327 0.848 0 50 CCAA C[C@@H](CS(C)(=O)=O)Nc1ccc(N2CCOCC2)cn1 182870923 PFPAFVQEUVFRPS-NSHDSACASA-N 299.396 0.763 0 50 CCAA C[C@H](Cc1ccccn1)N(C)CC(=O)N1CCOCC1 244873230 WMGYYUOXTHQJCK-CYBMUJFWSA-N 277.368 0.803 0 50 CCAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@H]4[C@H]2[C@@]2(F)[C@@H]1[C@H]3[C@H]42 254703064 MCRDYFROONDLDI-UFNMPSLDSA-N 297.289 0.740 0 50 CCAA CCCn1ncnc1[C@@H](C)NC(=O)Cc1nonc1C 534632392 VXZWJXGFLXNNRO-SECBINFHSA-N 278.316 0.799 0 50 CCAA Nc1n[nH]c(CNC(=O)c2ccc3c(c2)CCC3)n1 534661104 JPCFQTMBOASEJV-UHFFFAOYSA-N 257.297 0.806 0 50 CCAA CC(C)CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 623379467 RVIUSMVNRUBHSR-SNVBAGLBSA-N 264.329 0.545 0 50 CCAA CN(Cc1ncon1)C(=O)CN1CCCCCC1=O 299788746 XYZYNJZFXDZFEP-UHFFFAOYSA-N 266.301 0.431 0 50 CCAA CC[C@H](Cn1ccnc1)NC(=O)CSc1nc(N)n[nH]1 822620006 YNYNXXRCCQPITM-MRVPVSSYSA-N 295.372 0.271 0 50 CCAA CN(C)c1ncc(CN2CCS(=O)(=O)C(C)(C)C2)cn1 271196357 UGOPHJRBRGPTHL-UHFFFAOYSA-N 298.412 0.552 0 50 CCAA Cc1cnc(CN2CCC(O)(CN(C)C)CC2)[nH]1 823683771 AEQHEXGKCFCBAH-UHFFFAOYSA-N 252.362 0.607 0 50 CCAA Cc1nn[nH]c1NC(=O)[C@@]1(c2cnn(C)c2)CCCO1 1875392159 QLRMDUGTBBWGHV-LBPRGKRZSA-N 276.300 0.491 0 50 CCAA Cc1nc(N2CCN(C(=O)[C@H]3C[C@H]3F)CC2)no1 1875327338 VWEIXAGZDLXKNC-DTWKUNHWSA-N 254.265 0.385 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC(C)(C)CO)n[nH]c21 1875394185 XRCDNRMSVSQHSS-SFYZADRCSA-N 267.329 0.933 0 50 CCAA CC[C@H](C(=O)N[C@@H](C(=O)O)c1nn[nH]n1)c1ccccc1 1875354732 NIORWDMXTXDFJT-VHSXEESVSA-N 289.295 0.635 0 50 CCAA CCCN1CCC(CC(=O)N2CCO[C@@H](CN)C2)CC1 952969850 GMEFWXAAOZXDNV-AWEZNQCLSA-N 283.416 0.685 0 50 CCAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)C1CC=CC1 887013374 VOYCYELLDCNORY-VXGBXAGGSA-N 251.326 0.999 0 50 CCAA Cc1noc(C)c1CC(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 888077251 WQBFHADLCJTAAK-OUCADQQQSA-N 290.323 0.521 0 50 CCAA OCC(F)(F)CNC1CCN(CC(F)F)CC1 170082466 RREHGKXSGZAYDB-UHFFFAOYSA-N 258.259 0.933 0 50 CCAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 188240815 GMFFTHARKRSYJM-STQMWFEESA-N 290.367 0.940 0 50 CCAA Cc1nn(C)c(C)c1CCNC(=O)[C@H]1C[C@H](F)CN1 188386612 CLJJQPHMFOFTKQ-CMPLNLGQSA-N 268.336 0.396 0 50 CCAA COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H]3COC[C@H]2C3)CC1 408199111 PWWSHESGDOKGMG-DDHJBXDOSA-N 267.325 0.966 0 50 CCAA C[C@@H]1C(=O)NCCCN1C(=O)CCOCC(F)(F)F 188845158 SSXUUPANVGHPCG-MRVPVSSYSA-N 282.262 0.692 0 50 CCAA Cc1ccncc1S(=O)(=O)NC(=O)[C@H]1CC1(F)F 408500722 ODSQHLFKHXDOIN-SSDOTTSWSA-N 276.264 0.850 0 50 CCAA Cn1nnc(CNC(=O)N[C@@H]2CCc3ccccc32)n1 661087326 RLZBQUZHOXGASB-LLVKDONJSA-N 272.312 0.697 0 50 CCAA CNC(=O)C[C@H](C)N(C)C(=O)c1cc(C(C)C)nc(N)n1 1506423361 HYAPNFFEKGGXIU-VIFPVBQESA-N 293.371 0.779 0 50 CCAA Cc1ccn2c(NC(=O)c3cc(C)n(C)n3)nnc2n1 1506398506 DTSHWDVGZZWJSP-UHFFFAOYSA-N 271.284 0.727 0 50 CCAA CC[C@H]1C=CCN1C(=O)CSc1nc(N)n[nH]1 1506414821 SIVQEHBTNZJGIY-ZETCQYMHSA-N 253.331 0.656 0 50 CCAA Cc1cc(C[C@@H]2CN(C(=O)C3CCOCC3)C[C@H]2O)n[nH]1 1529103978 JGPGAANYDYLZES-TZMCWYRMSA-N 293.367 0.507 0 50 CCAA O[C@@H](CN=c1c(F)c[nH]cc1Cl)Cn1ccnn1 1857530009 JAGLQXGGEJYLFV-ZETCQYMHSA-N 271.683 0.361 0 50 CCAA CC(C)C[C@H](CN)CC(=O)OCCNS(C)(=O)=O 1615046059 UYFZANQVKDIIHC-JTQLQIEISA-N 280.390 0.090 0 50 CCAA CC[C@]12COC(=O)N1CCN(Cc1cnc[nH]1)C2 1857712763 GXZLAMQHBIMANM-LBPRGKRZSA-N 250.302 0.826 0 50 CCAA Cc1ncsc1CCN(C)C(=O)[C@H]1CC[C@@H](N)[C@H](O)C1 1857735623 IAXXIXOHRYKSNW-QJPTWQEYSA-N 297.424 0.941 0 50 CCAA O=C(CN1CCC(CO)CC1)N[C@@]12CCC[C@H]1NCC2 1615549812 WRKBQHVKXIUGOU-UKRRQHHQSA-N 281.400 0.092 0 50 CCAA Cc1c(F)cccc1NC(=O)CN1CC[C@H](O)[C@H](CO)C1 1615726980 HKVQXZCMFLBMPI-FZMZJTMJSA-N 296.342 0.748 0 50 CCAA Cn1c(CN2C[C@@H](F)C[C@H]2CO)nnc1C1CCC1 372599994 ITCKTNMXCIAFBD-QWRGUYRKSA-N 268.336 0.987 0 50 CCAA CN1CC[C@@H]2CN(C(=O)c3cnsc3)C[C@@H]2C1=O 1772804648 CFFGXSYKYKBNQP-SCZZXKLOSA-N 265.338 0.693 0 50 CCAA CN1C(=O)NCC12CN(C(=O)c1cnn3ccccc13)C2 1857667104 GHIYDNLIXDTWRU-UHFFFAOYSA-N 285.307 0.184 0 50 CCAA CCOC(=O)N1CCC[C@@H](C(=O)N2CC(CC(N)=O)C2)C1 225439883 UUPXETSKXFOIAY-LLVKDONJSA-N 297.355 0.189 0 50 CCAA NC(=O)C[C@@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)C1 119568802 PIYKKCFRGKMKBD-FZMZJTMJSA-N 275.352 0.800 0 50 CCAA c1cncc(CCN=c2[nH]ccc(=N[C@H]3CCCOC3)[nH]2)c1 328622059 AYOCIPXQTRQLOV-AWEZNQCLSA-N 299.378 0.961 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc(CO)c1 336093036 WLQBGQTVBVTAKQ-SKDRFNHKSA-N 262.309 0.576 0 50 CCAA COCCS(=O)(=O)NC(=O)C[C@H]1OCc2ccccc21 847645921 YHPYDXOSFVKNBL-GFCCVEGCSA-N 299.348 0.740 0 50 CCAA O=C1CC(C(=O)N[C@H]2CCN(c3ccccc3F)C2)=NN1 817026914 ADOJKDFMXUYQIS-VIFPVBQESA-N 290.298 0.397 0 50 CCAA O=C(O)COC(=O)c1ccc(=O)n(-c2ccccc2F)n1 821536163 ZOAOCQJNINYXLK-UHFFFAOYSA-N 292.222 0.613 0 50 CCAA CC(C)[C@]1(C)NC(c2ncc(C(=O)O)cc2O)=NC1=O 1857784521 HSZSMTXJHICIFJ-ZDUSSCGKSA-N 277.280 0.777 0 50 CCAA CN(C)CC1(NC[C@@H](O)Cn2cccn2)CCC1 242178771 XASQJLAYWIOBMM-GFCCVEGCSA-N 252.362 0.318 0 50 CCAA Cc1cc(C)n(CCC(=O)N2CC[C@](C)(O)[C@H](O)C2)n1 247931316 QMHHZTJPZAFQBA-OCCSQVGLSA-N 281.356 0.234 0 50 CCAA CCOC(=O)N1CCC(N[C@H]2CCC(=O)N(C)C2)CC1 84061892 UQBTVORSAGXHMB-LBPRGKRZSA-N 283.372 0.818 0 50 CCAA COC1(CO)CCN(c2ncnc3[nH]ccc23)CC1 444875952 RCVSYHGIZQIADU-UHFFFAOYSA-N 262.313 0.936 0 50 CCAA Cc1nc(C(=O)N[C@]23CCC[C@@]2(F)CNC3)c(=O)[nH]c1C 2325796323 ITQXMPCICGRHRW-KGLIPLIRSA-N 294.330 0.351 0 50 CCAA C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCCNC1=O 405642 YVYVUBSLVFANKA-CMPLNLGQSA-N 262.309 0.849 0 50 CCAA O=C1CN(Br)C(=O)N1Br 1725639 XAEZQQVZRXSKKJ-UHFFFAOYSA-N 257.869 0.870 0 50 CCAA CN(C[C@H]1CCc2nccn2C1)C(=O)Nc1ccn(C)n1 328630669 QDMNEBDDXBJXLH-LLVKDONJSA-N 288.355 1.343 0 50 CCAA CN1CC[C@@H](N2CCCC[C@@H](S(C)(=O)=O)C2)C1=O 328616540 SPTYCAJXFHSNHA-GHMZBOCLSA-N 274.386 0.116 0 50 CCAA CC(C)CN1C[C@H](C(=O)NC2(C(N)=O)CCCC2)CC1=O 65454498 DDKKLDKOYUPDRI-LLVKDONJSA-N 295.383 0.405 0 50 CCAA CCOCCCNC(=O)c1cccc(-n2cnnn2)c1 20427728 SWKSCDBVINIVFG-UHFFFAOYSA-N 275.312 0.819 0 50 CCAA Cc1nc2ncc3c(=O)n(N(C)C)c(C)cc3n2n1 38784013 ROGBYTJIBFBRBY-UHFFFAOYSA-N 258.285 0.254 0 50 CCAA C[C@H]1CN(c2nccc(N3CC[C@H](O)C3)n2)C[C@@H](C)O1 65465345 JEVJFMUXWTZGHE-TUAOUCFPSA-N 278.356 0.661 0 50 CCAA CCCN1C[C@@H](C(=O)NC[C@@H]2CCCO2)CC1=O 32497067 MEDDAYKEUQIIKL-QWRGUYRKSA-N 254.330 0.540 0 50 CCAA C[C@@H]1CC(=O)NCCN1C(=O)c1cnccc1N(C)C 363875564 MESWQDBRGQXXKT-SNVBAGLBSA-N 276.340 0.498 0 50 CCAA O=C(Cn1cccnc1=O)NC[C@@H]1COc2ccccc2C1 32766230 YWTSPVXOIXATKK-GFCCVEGCSA-N 299.330 0.611 0 50 CCAA COC(=O)CNC(=O)C[C@H]1NC(=O)c2ccccc21 218557446 JKMLIANDRNPUIX-SNVBAGLBSA-N 262.265 0.150 0 50 CCAA CCOC1CC(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1 377256636 TVPZVTUJCOKAGC-FDZGAKKTSA-N 295.339 0.002 0 50 CCAA Cc1noc(CN(C)Cc2cccc(OCC(N)=O)c2)n1 215555946 UWNCBTPMXLKCKH-UHFFFAOYSA-N 290.323 0.874 0 50 CCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cnn(C)c2)C1 286405945 OBUHGACHPJHRKT-KBPBESRZSA-N 292.383 0.745 0 50 CCAA COc1ccnc(C(=O)NCCc2nc(N)cc(O)n2)c1 223707563 KEWRZSAWHASJAS-UHFFFAOYSA-N 289.295 0.141 0 50 CCAA CC[C@H](C(=O)N[C@@H](C)c1nc[nH]n1)N1CCCC1=O 176748537 XCZJUYNIHWOOSD-DTWKUNHWSA-N 265.317 0.383 0 50 CCAA Cc1ccn([C@@H](C)CC(=O)NCCc2nc(=O)o[nH]2)n1 614171948 MWKCZUILDXBGLH-VIFPVBQESA-N 279.300 0.178 0 50 CCAA Cc1cc(NC(=O)Cn2cncn2)n(-c2ccccn2)n1 48501592 QRRYUYXOBISCEP-UHFFFAOYSA-N 283.295 0.806 0 50 CCAA C[C@]1(C(=O)N2CCN(CCO)CC2)CCCC[C@@H]1N 695549960 KRAVFBJULJIQSD-JSGCOSHPSA-N 269.389 0.031 0 50 CCAA OCc1cnn(-c2cc(O[C@H]3CCOC3)ccn2)c1 95704794 SOXWCSIBIOFPOF-LBPRGKRZSA-N 261.281 0.927 0 50 CCAA CNC(=O)CCN(C)C(=O)NCCc1ncccc1C 426641513 YPXIXAKGDVRHFQ-UHFFFAOYSA-N 278.356 0.710 0 50 CCAA CC(=O)c1ccc(N(C)C[C@@H](O)CN2CCOCC2)nc1 181210241 MRQUWSFAUNNKGN-CQSZACIVSA-N 293.367 0.414 0 50 CCAA CCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)c1nonc1C 91689906 XSMGOSFJNNRIGX-RYUDHWBXSA-N 296.371 0.855 0 50 CCAA O[C@@H]1CN(Cc2cccnc2)CC[C@H]1NC1CCOCC1 244811588 SHHZOMBQRRVRKH-HZPDHXFCSA-N 291.395 0.785 0 50 CCAA CN(CCCc1nccn1C)CC(=O)Nc1ccn(C)n1 244742134 OCIPZBZBHLUHPS-UHFFFAOYSA-N 290.371 0.657 0 50 CCAA Cc1cc(C)n(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)n1 240971676 UAXDUDBAQWDESL-NSHDSACASA-N 283.353 0.317 0 50 CCAA NC1(C(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)CC1 244659434 HCNLXAFSMBUJRZ-MGPQQGTHSA-N 274.364 0.976 0 50 CCAA CC(C)CCO[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)O 299747350 CTEWCUCKKIVHKZ-GHMZBOCLSA-N 273.329 0.750 0 50 CCAA COc1ccc(CCCN(C)C(=O)[C@@H]2C[C@H](O)CN2)cc1 299753787 ZIPIPTNUPLBRFH-ZFWWWQNUSA-N 292.379 0.809 0 50 CCAA CN1C(=O)[C@H]2C=C[C@H]1[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 253378496 GPCCRHMTSQOYRL-XUXIUFHCSA-N 296.326 0.814 0 50 CCAA COCc1noc(CNC(=O)[C@@]2(C)CCCCO2)n1 534591643 GCVLQUINRYGUCW-GFCCVEGCSA-N 269.301 0.791 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)C1(CO)CC1 534661864 JZUDRRDNUIAZMN-VIFPVBQESA-N 252.318 0.638 0 50 CCAA CCCn1nccc1S(=O)(=O)N1CCN[C@H](C)C1 534651664 KMBOEHGSENNYAA-SNVBAGLBSA-N 272.374 0.276 0 50 CCAA Cc1nc(C)c(CNC(=O)CCc2nc(O)n[nH]2)s1 1940195926 WIXBFSMESFCOFZ-UHFFFAOYSA-N 281.341 0.833 0 50 CCAA O=C(CN1CCN2C(=O)OC[C@H]2C1)NCC1CCCCC1 370558828 RAEPVMXYRKFPRP-CYBMUJFWSA-N 295.383 0.819 0 50 CCAA CCCc1noc([C@H](C)NC(=O)c2c[nH]c(=O)[nH]2)n1 299760019 TWUVYLVTGWFWRS-LURJTMIESA-N 265.273 0.530 0 50 CCAA Cc1cc(F)ccc1NC(=O)NC[C@]1(O)CCNC1 299801840 QKLOLGNOXLWYHN-ZDUSSCGKSA-N 267.304 0.980 0 50 CCAA COCCn1cnnc1[C@@H](C)NC(=O)c1nc(C)c[nH]1 299778727 QOPQGKWZRQEFRV-SECBINFHSA-N 278.316 0.447 0 50 CCAA COc1cc(NCCCN2CCCC[C@@H]2CO)nc(N)n1 828710791 FPEKJHSEVUMFGJ-LLVKDONJSA-N 295.387 0.716 0 50 CCAA Cn1ncc(Cl)c1C(=O)N1CC[C@@H]([C@H](F)C(=O)O)C1 1548598410 DEPOAWFJJKHFMQ-SVRRBLITSA-N 289.694 0.958 0 50 CCAA COCC(=O)N1CCN(Cc2cnn(C)c2C2CC2)CC1 891587376 SRVSAMSRNBFSOX-UHFFFAOYSA-N 292.383 0.588 0 50 CCAA CC(C)C(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)N(C)C 1775960971 PRCQTRKBPCXTEP-AXFHLTTASA-N 254.330 0.489 0 50 CCAA Cc1ccc(/C=C/C(=O)NC2(CS(C)(=O)=O)COC2)o1 585125238 LCHQAZIQAOXOPR-AATRIKPKSA-N 299.348 0.531 0 50 CCAA CCNC(=O)NC(=O)CN1CCSCC[C@H]1C 170616732 ORAFLMLBWHRWDZ-SECBINFHSA-N 259.375 0.660 0 50 CCAA O=C(c1cccn1C1CC1)N1CCOC[C@H](O)C1 77284698 PWROJWNWWFAUPF-LLVKDONJSA-N 250.298 0.656 0 50 CCAA CS(=O)(=O)NC(=O)c1cccc([C@H]2CCOC2)c1 408107062 NIDYWXPTAJTCIM-NSHDSACASA-N 269.322 0.880 0 50 CCAA C[C@@H]1CN(C(=O)[C@@H]2CCc3ncncc3C2)C[C@H]1CN 638900236 FYMAYXUUKQLYQR-NQBHXWOUSA-N 274.368 0.635 0 50 CCAA COC(=O)[C@H]1[C@@H](O)CCCN1CCCn1ccnc1 189546317 MBDRIBVXPLNLNK-NWDGAFQWSA-N 267.329 0.272 0 50 CCAA COC(=O)[C@@H](NCc1ccc(F)c(F)c1)[C@H](C)O 191966392 CTEMRUKWFBRZMG-CPCISQLKSA-N 259.252 0.977 0 50 CCAA CC(C)(O)C(C)(C)OB(O)c1ccc2c(c1)OCO2 203739734 HIIINMZHUGIYOF-UHFFFAOYSA-N 266.102 0.669 0 50 CCAA Cc1ncnc(N2CCN(C(=O)NCC(=O)O)CC2)c1C 1506395579 BTFJHWHRUOFAST-UHFFFAOYSA-N 293.327 0.010 0 50 CCAA Cn1cnc(C(=O)NCCc2csc(=N)[nH]2)c1 1857684793 DJIRFLPTWOIPKM-UHFFFAOYSA-N 251.315 0.262 0 50 CCAA Cc1cc(C(=O)N[C@@H](CO)c2ccnn2C)nn1C(F)F 1614646712 OMPGYLYAOKETDQ-VIFPVBQESA-N 299.281 0.784 0 50 CCAA CCn1cc(CC(=O)N[C@@]23CCC[C@H]2NCC3)nn1 1615547784 QATHNRBYWGAEAC-DGCLKSJQSA-N 263.345 0.241 0 50 CCAA O=C1CCC[C@@H](CNC(=O)c2nnc3ccccc3n2)N1 1615580381 CTJITRDAJCJWHK-VIFPVBQESA-N 285.307 0.423 0 50 CCAA Cc1nc(N)[nH]c(=O)c1I 12652079 LIZYQAUQOBJSBC-UHFFFAOYSA-N 251.027 0.265 0 50 CCAA in-vitro CC(C)(N)CN1C[C@H](c2ccncc2)[C@@H](C(=O)O)C1 1616103269 ITXIDTONOHKYOY-NEPJUHHUSA-N 263.341 0.919 0 50 CCAA CO[C@H]1C[C@@H](CO)N(c2ncc(Br)cn2)C1 381264130 SWUYTDKDDRUGHT-IUCAKERBSA-N 288.145 0.825 0 50 CCAA O=C(N[C@H]1CCCCNC1=O)c1cc(C(F)(F)F)n[nH]1 19795123 HBIVIGALXDMTRK-LURJTMIESA-N 290.245 0.827 0 50 CCAA CC(C)(O)[C@H]1[C@H](N2CCOCC2)C(C)(C)S1(=O)=O 19809075 QZENCEXEELNUEF-VHSXEESVSA-N 277.386 0.034 0 50 CCAA O=C(NCCCN1CCCC1=O)[C@H]1CCn2nccc2C1 1857712641 KAUVONBTGWGVBD-LBPRGKRZSA-N 290.367 0.574 0 50 CCAA Cn1cccc(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)c1=O 1857717242 ZLQUYPWTCMXZIT-CVEARBPZSA-N 299.374 0.816 0 50 CCAA Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1C(C)C 4940642 MLHWZLLKMZDWFK-UHFFFAOYSA-N 289.339 0.884 0 50 CCAA COc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2)ccc1C 237350327 KEKFKSIWDAOZGJ-RYUDHWBXSA-N 264.325 0.343 0 50 CCAA COCc1ncc(C(=O)NCc2occc2C)c(=N)[nH]1 452104640 MJOCFMQNOKXOCH-UHFFFAOYSA-N 276.296 0.867 0 50 CCAA CS(=O)(=O)N1CCN(Cc2ccsc2)CC1 20275208 WWYLNEBAEJAWRR-UHFFFAOYSA-N 260.384 0.825 0 50 CCAA C[C@@H]1CN(Cc2cc(=O)n3ccccc3n2)C[C@H]1O 252477579 QXMZIUGDCFQYFD-ZYHUDNBSSA-N 259.309 0.507 0 50 CCAA O=C(O)CC1(NC(=O)c2ccccn2)CCOCC1 516981564 KNOLFOJSSWVTGA-UHFFFAOYSA-N 264.281 0.835 0 50 CCAA C[C@H]1CN(C2CC2)CCN1C(=O)c1c[nH]c(=O)cn1 2100480400 ITIKHWAEXVCUAO-VIFPVBQESA-N 262.313 0.079 0 50 CCAA CCOC(=O)[C@H](C)S(=O)(=O)NC(=O)CC(C)(C)OC 2325802101 HSBWCTMZBGRLJB-QMMMGPOBSA-N 295.357 0.199 0 50 CCAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1 188454 SZILOGOOPIXJAQ-SCZZXKLOSA-N 273.310 0.107 0 50 CCAA O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(Cl)cc1 2689969 VCMBUDGGZPZTNR-UHFFFAOYSA-N 265.656 0.969 0 50 CCAA COC(=O)[C@@H]1C(=O)N(C)[C@H](c2ccccc2)[C@@H]1C(=O)OC 4363326 XNRUNYQJCBBOGJ-GRYCIOLGSA-N 291.303 0.778 0 50 CCAA COC(=O)CC(=O)CN1C(=O)c2ccccc2C1=O 4992089 JBUCHNZXXHPACC-UHFFFAOYSA-N 261.233 0.415 0 50 CCAA CN1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1(C)C 521394131 PCOKGHVVKFZMTG-UHFFFAOYSA-N 275.352 0.952 0 50 CCAA CCOC1CN(S(=O)(=O)c2cnc(C)s2)C1 328844586 PXXIBGRQFCFECW-UHFFFAOYSA-N 262.356 0.861 0 50 CCAA CCc1noc(C)c1Cn1nc(CO)c(=O)cc1C 330073340 ZSHSFMIMHKPBOQ-UHFFFAOYSA-N 263.297 0.951 0 50 CCAA COC(=O)[C@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1 22014210 NFLXTMHXWFFYGU-BDAKNGLRSA-N 258.318 0.662 0 50 CCAA CN1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)C(=O)N1 333680204 LCBSTMKVYAYUMJ-ZCFIWIBFSA-N 265.235 0.180 0 50 CCAA CO[C@H]1C[C@@H](CN(C)C(=O)CCc2cnn(C)c2)N(C)C1 284710834 ROGOXMWXYYNPSK-KBPBESRZSA-N 294.399 0.530 0 50 CCAA NC[C@H]1CCCN1C(=O)c1n[nH]c2ccccc2c1=O 238055311 OZFYZGIUVDVRNH-SECBINFHSA-N 272.308 0.486 0 50 CCAA COCCn1ccnc1CN1CCC[C@@H](NC(C)=O)C1 215628199 RTYZJOMQPLUCLR-CYBMUJFWSA-N 280.372 0.630 0 50 CCAA COCCOCCOCCOc1cccc(CO)n1 126129676 RSXRQOACEZXQPN-UHFFFAOYSA-N 271.313 0.632 0 50 CCAA Cc1nonc1C(=O)N1CCC(N2CCC(O)CC2)CC1 72143345 AFOPMMIGZJMBDX-UHFFFAOYSA-N 294.355 0.439 0 50 CCAA C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(N)=O 71754880 GXWYPVRXUFIRLA-MRVPVSSYSA-N 272.326 0.335 0 50 CCAA Cn1cc(N2CCC[C@H](NC(=O)c3ccnn3C)C2)cn1 154187556 KBVTWUZGIBWEBO-NSHDSACASA-N 288.355 0.552 0 50 CCAA O=C(CCn1ccnc1)N1CC[C@@H](N2CCCC2)C1 363192784 NZURLJINLUJVSB-CYBMUJFWSA-N 262.357 0.970 0 50 CCAA COCC[C@H]1COCCN1C(=O)C1=CCCCO1 366002511 FDLVSYGCKNFGEE-NSHDSACASA-N 255.314 0.945 0 50 CCAA COC[C@@H](NS(=O)(=O)c1c(C)cnn1C)c1ccco1 286156439 XTDBBNLSUYDJSI-SNVBAGLBSA-N 299.352 0.988 0 50 CCAA CC(C)C1=NO[C@@H](C(=O)N2CCC3(CC2)CNC(=O)C3)C1 77436961 HIGVWYWUXBIMCU-GFCCVEGCSA-N 293.367 0.916 0 50 CCAA CC(C)=C(F)C(=O)N1CCOC[C@H]1c1ncnn1C 368499695 RQNPEVKRDDLOJC-VIFPVBQESA-N 268.292 0.978 0 50 CCAA O=C(O)CCC(=O)N[C@H]1CCN(c2ccccc2F)C1=O 261681182 CQEOBJJGQTUJIT-JTQLQIEISA-N 294.282 0.912 0 50 CCAA O=C(NCCCOC1CCOCC1)[C@H]1C[C@H]1C(=O)O 262366081 FDNBLHUKLPFDJY-WDEREUQCSA-N 271.313 0.409 0 50 CCAA NC(=O)COc1ccccc1C(=O)N1CCC[C@@H](N)C1 158531548 QKMSBCKNDCYENQ-SNVBAGLBSA-N 277.324 0.114 0 50 CCAA CC(C)[C@@H](CNC(=O)c1cccn(C)c1=O)N(C)C 71752217 OIGUAULBELIOPS-GFCCVEGCSA-N 265.357 0.701 0 50 CCAA Cc1noc(C)c1C(=O)N1CCOC[C@H]1CC(=O)O 72454349 CXUSAWNQOHJDMW-SECBINFHSA-N 268.269 0.607 0 50 CCAA Cc1nc(CNC(=O)c2scc3c2OCCO3)n[nH]1 215009782 UCIIGAPHIGJMKB-UHFFFAOYSA-N 280.309 0.876 0 50 CCAA O=C(O)CCCn1ccc2c(nnc3ccnn32)c1=O 40388084 JOBGEOQNSKEISG-UHFFFAOYSA-N 273.252 0.304 0 50 CCAA COc1ccccc1[C@H](O)CNC(=O)[C@H]1CCCN1 178029361 VYNHJQBRESJJGZ-VXGBXAGGSA-N 264.325 0.597 0 50 CCAA O=C(N1CCC[C@@H]1[C@H]1COCC[C@H]1O)C1(O)CCCC1 329814346 DCWXDFBBMNDQSN-JHJVBQTASA-N 283.368 0.680 0 50 CCAA O=C(CN1Cc2ccccc2C1)NC1(C(=O)O)CC1 426523233 SUINBDCWNGGIJY-UHFFFAOYSA-N 260.293 0.736 0 50 CCAA COc1cncnc1NC(=O)NC[C@H]1CCCO1 294346408 YUYLBDGPYFCYKU-MRVPVSSYSA-N 252.274 0.786 0 50 CCAA CC(C)c1nccn1[C@@H](C)C(=O)N(C)CC(N)=O 95509515 OEIRKZSDDQLVSH-VIFPVBQESA-N 252.318 0.511 0 50 CCAA COCC(=O)N1CCCn2nc(CCC(=O)O)cc2C1 91434903 JYKZVHVXKVGHKL-UHFFFAOYSA-N 281.312 0.279 0 50 CCAA COC(=O)[C@@H]1CCN(Cc2ncnn2C)C[C@H]1C 249148363 XFCGAZAHMUOQNC-NXEZZACHSA-N 252.318 0.446 0 50 CCAA CCn1c(CN(C)CC(=O)O)nnc1[C@H]1C[C@@H](N)C1 244831548 UFVISLCIRGJVGU-DTORHVGOSA-N 267.333 0.019 0 50 CCAA NC(=O)[C@@H]1CC[C@H]1C(=O)N1Cc2ccc(O)cc2C1 628538132 CGWQNUFNNXPZFI-VXGBXAGGSA-N 260.293 0.746 0 50 CCAA C[C@@H](CCNC(=O)c1cncc(O)c1)N1CCN(C)CC1 534651085 DKFYJJDJKFTSOU-LBPRGKRZSA-N 292.383 0.543 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCC(Cn2ccnc2)CC1 534590728 ZWWGNOPTVRXOBU-ZDUSSCGKSA-N 260.341 0.650 0 50 CCAA CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](O)C2 823597159 IOUDDSWYYOYJST-SNVBAGLBSA-N 279.340 0.225 0 50 CCAA Cc1ccnc(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 584893022 DFCLFOBJCAGYLL-ZDUSSCGKSA-N 282.365 0.626 0 50 CCAA Cn1c(NCCCCCCC(=O)O)cc(=O)n(C)c1=O 669368716 FMMXRJMJROKGBJ-UHFFFAOYSA-N 283.328 0.531 0 50 CCAA Cc1cc(C)c(CNC(=O)N2CCNC(=O)CC2)cn1 584892362 LDRQOIQWGZFBIP-UHFFFAOYSA-N 276.340 0.730 0 50 CCAA CN1CCC(CNC(=O)c2cn[nH]c2)(N(C)C)CC1 584894301 KKSWGTFLWDYNCS-UHFFFAOYSA-N 265.361 0.166 0 50 CCAA C[C@@H](CNC(=O)C1(C(=O)O)CCCCC1)C(=O)O 585135148 ZVHNHNHKKBASLW-QMMMGPOBSA-N 257.286 0.858 0 50 CCAA CCc1nn(C)c2c(=O)n(CCN3CCCC3=O)cnc12 584894416 OQCLRZSRRRKEFO-UHFFFAOYSA-N 289.339 0.315 0 50 CCAA COC(C)(C)CCNC(=O)[C@@H](C)N1CCCC1=O 670459032 QGKXSIOAKDXDJC-SNVBAGLBSA-N 256.346 0.929 0 50 CCAA O=C(Nc1cnn(C[C@@H]2CCCN2)c1)c1ncccc1O 1875292524 KWCFDVBLICDKOR-JTQLQIEISA-N 287.323 0.988 0 50 CCAA O=C(N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O)c1ncccn1 1875267233 AWGPNETXYPIYGE-XFWSIPNHSA-N 261.281 0.706 0 50 CCAA O=C1CC[C@@H](NC(=O)c2cccc3c2COC3)C(=O)N1 1875293252 JCSZDVHKWQDRIQ-LLVKDONJSA-N 274.276 0.252 0 50 CCAA C[C@H]1C[C@@H](C(=O)Nc2cnc(N3CCNCC3)nc2)CO1 1875315462 WCYAKFQZWWQUIK-WDEREUQCSA-N 291.355 0.250 0 50 CCAA COC1(CO)CN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C1 1875397091 KWYSEWMSENSDHF-DTWKUNHWSA-N 295.339 0.265 0 50 CCAA Cn1cc([C@@]2(CNC(=O)C3(O)CCCC3)CCCO2)cn1 890154310 QJXLIBLOZQOZLY-HNNXBMFYSA-N 293.367 0.847 0 50 CCAA C=CC(=O)N1C[C@@H](C)c2ccc(S(N)(=O)=O)cc21 1776004992 WIOFBNIBRNBUNY-MRVPVSSYSA-N 266.322 0.970 0 50 CCAA CC(C)c1ccc(N2CCN(CC(N)=O)CC2)nn1 1165152831 IGINYDFXDXMSMU-UHFFFAOYSA-N 263.345 0.207 0 50 CCAA CC(C)Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2O)nc(O)n1 1565510435 FWXZNAPOOGTFTO-JQWIXIFHSA-N 295.339 0.260 0 50 CCAA CCc1cncc(C(=O)N2CCNC(=O)[C@@H]2CC)c1 279247474 OVZWIFUTLRNMIU-LBPRGKRZSA-N 261.325 0.995 0 50 CCAA Cc1nnc2n1C[C@H](CNC(=O)CN(C)C1CCC1)CC2 600816347 BOONKXKTSHSGJA-LBPRGKRZSA-N 291.399 0.749 0 50 CCAA NC[C@@]1(C(=O)N2CCC(c3cnc[nH]3)CC2)CCCOC1 638117388 LITAJUDDKWKWJX-HNNXBMFYSA-N 292.383 0.871 0 50 CCAA Cc1nc(O)[nH]c1C(=O)N1CCNC(=O)[C@H]1CC(C)C 408522247 GBOWNMWPLAVAHZ-SECBINFHSA-N 280.328 0.410 0 50 CCAA Cn1ccnc1[C@H]1OCC[C@@H]1Nc1nccn2cnnc12 225433857 PIPNKSWPLQHDCC-UWVGGRQHSA-N 285.311 0.800 0 50 CCAA Cc1nn(CC(=O)N2CCC[C@H](OCC3CC3)C2)c(=O)o1 640136514 WHDUSSPLALJANL-LBPRGKRZSA-N 295.339 0.562 0 50 CCAA CCc1nc(CN[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)n[nH]1 643960849 GXHMSRMYPGIUBU-TUAOUCFPSA-N 279.388 0.444 0 50 CCAA Cc1ncc(CNC(=O)c2cc(C3CC3)n(C)n2)c(=N)[nH]1 577637536 ZDROYVWBWWAKBG-UHFFFAOYSA-N 286.339 0.738 0 50 CCAA COc1cccc(CCNc2nccn3nnnc23)n1 584907856 CFZQYAITQXMTFD-UHFFFAOYSA-N 271.284 0.578 0 50 CCAA COc1cc(OC)nc(N(C)C[C@@H]2CCN(C)C2)n1 1506422937 BELHHHIAMYELBN-SNVBAGLBSA-N 266.345 0.882 0 50 CCAA COC[C@@H]1CN(c2ncnc3scnc23)CCO1 408523093 GQMOXHSYZKKVRM-QMMMGPOBSA-N 266.326 0.938 0 50 CCAA Cc1noc(C)c1CCC(=O)N1CCOC[C@H](C(=O)O)C1 1772814351 URKSCFOORXPCKS-LLVKDONJSA-N 296.323 0.784 0 50 CCAA CCN1CCN(C(=O)[C@H]2CCn3nccc3C2)CC1 1857711350 VHQNLHOWFIDFGW-LBPRGKRZSA-N 262.357 0.610 0 50 CCAA O=C([C@H]1CCc2ncnn2C1)N1C[C@H]2[C@H]3CC[C@H](N3)[C@H]2C1 1857732589 XGHWSAURBXTELW-IEECTRCBSA-N 287.367 0.049 0 50 CCAA O=C1N[C@H](C(=O)N2CC[C@@H](Oc3ccccc3)C2)CO1 856180242 GEOQAEWPLXRGIA-NEPJUHHUSA-N 276.292 0.775 0 50 CCAA O=C(CN[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)NCC1CC1 643961317 WPDSGLGMORAFBJ-MJBXVCDLSA-N 281.400 0.090 0 50 CCAA CC[C@H]1OCCC[C@H]1C(=O)N1CC(=O)N(CCOC)C1 408473368 YWLPPWBGWVUKEO-VXGBXAGGSA-N 284.356 0.466 0 50 CCAA COc1ccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nc1 333756821 OFFGNHOKIUJWAK-ZDUSSCGKSA-N 291.351 0.918 0 50 CCAA O=C(c1n[nH]c2ccccc12)N1CC[C@H](CO)[C@H](O)C1 582397656 KOZSJFDROFSMSV-BXKDBHETSA-N 275.308 0.378 0 50 CCAA O=C(c1cc(Cl)c[nH]1)N1CCOC[C@@H]1c1nc[nH]n1 375271422 ZILFQPMOZUIRNW-SECBINFHSA-N 281.703 1.000 0 50 CCAA C=CC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 390834528 AOXBRABXEAPRCF-GXSJLCMTSA-N 259.327 0.025 0 50 CCAA C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O 910003471 HOIGZTMVMZDGPG-URIQBSJHSA-N 283.324 0.406 0 50 CCAA CC[C@@H]1OCC[C@H]1NC(=O)Nc1nnn(C(C)C)n1 933457580 TWBQXPZPKQRRRJ-BDAKNGLRSA-N 268.321 0.943 0 50 CCAA C=CC(=O)N1CCC2(CCOCC2)[C@@H](C(=O)O)C1 1857787042 YZICVKLALULJJW-SNVBAGLBSA-N 253.298 0.902 0 50 CCAA CC[C@H](NC)C(=O)N1CCC(CC(=O)NC)CC1 662486642 NBZNAXFJCVIJSY-NSHDSACASA-N 255.362 0.359 0 50 CCAA Cc1nccn1CCN(C)C(=O)NCCC(=O)O 426546230 QNAVZNCOURYFJG-UHFFFAOYSA-N 254.290 0.308 0 50 CCAA O=C(NC[C@]1(O)CCSC1)c1cn2c(n1)CCCC2 333449489 LLROWCNTFFKNRB-CYBMUJFWSA-N 281.381 0.817 0 50 CCAA Cc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)co1 386597434 YFEVIHKOPDDULQ-UHFFFAOYSA-N 253.254 0.640 0 50 CCAA Cc1cncc(NCC2(S(N)(=O)=O)CCC2)n1 895607234 VQDQSLFJJRLVFP-UHFFFAOYSA-N 256.331 0.408 0 50 CCAA O=C(CNC(=O)C[C@H]1OC(=O)c2ccccc21)NCCF 2325748263 FFIZNCFEGNFLCX-LLVKDONJSA-N 294.282 0.490 0 50 CCAA NC(=O)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1 6703473 WUBSRVLZENUBSK-UHFFFAOYSA-N 296.758 0.871 0 50 CCAA CNC(=O)c1ccc(S(=O)(=O)NCC2(C)COC2)cc1 112708440 PYFXYMLZXOETRP-UHFFFAOYSA-N 298.364 0.361 0 50 CCAA CC(C)c1cc(C(=O)NCCN(C)S(C)(=O)=O)no1 67514290 CDZGWKFAPAVHIB-UHFFFAOYSA-N 289.357 0.419 0 50 CCAA CC(C)(C)C(=O)NCC(=O)N1CCC(O)(C(F)F)CC1 408377522 QRSDXHMOHJQPLC-UHFFFAOYSA-N 292.326 0.767 0 50 CCAA Cn1nc(C(=O)NC[C@H]2CN3CCN2CC3)cc1C1CC1 333051986 LJMFURFCGOAEMX-LBPRGKRZSA-N 289.383 0.027 0 50 CCAA O=C(N[C@H]1[C@@H]2CNC[C@@H]21)N[C@@H](C1CC1)C(F)(F)F 333331694 OLJABPJZUGNMSG-KDXUFGMBSA-N 263.263 0.844 0 50 CCAA O=C(c1[nH]nc2ccccc12)N1CC[C@H]2CNC[C@H]21 36236888 YQJBYRGSRADNDJ-JOYOIKCWSA-N 256.309 0.997 0 50 CCAA COCCS(=O)(=O)NC(=O)Cc1c(C)cccc1C 155935900 OBFVKZCSHHFELM-UHFFFAOYSA-N 285.365 0.938 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 262031828 XNZBGGGJVMUCGE-OCCSQVGLSA-N 290.367 0.107 0 50 CCAA CC[C@H](CO)Nc1cc(C2CC(O)C2)nc(N)n1 219287051 OLYMUZAWHATCTK-QJAFJHJLSA-N 252.318 0.480 0 50 CCAA COc1cncnc1NC(=O)N1CC[C@](C)(C(=O)O)C1 263118309 WMNOZCRUONZYNN-LBPRGKRZSA-N 280.284 0.814 0 50 CCAA O=C(NCCOc1ccccc1)[C@H]1NCCc2[nH]cnc21 72473144 JRPVOYJQOLSKPS-AWEZNQCLSA-N 286.335 0.792 0 50 CCAA CNC(=O)Cn1cc(NC(=O)Cc2cccs2)cn1 48801139 RFMPHVYWXMPZFX-UHFFFAOYSA-N 278.337 0.872 0 50 CCAA Cc1cccc(-c2ncc(C(=O)N3CC(O)C3)c(=O)[nH]2)c1 82147461 WGTHUVLIURFAFR-UHFFFAOYSA-N 285.303 0.562 0 50 CCAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccn(CC)n1 220416659 FLTRWTMTICZUDS-ZYHUDNBSSA-N 267.329 0.827 0 50 CCAA C[C@@H]1CN(c2nc3c(cc2C(N)=O)CCC3)C[C@]1(C)O 91706357 GGFAMPVDMFROOT-PSLIRLAXSA-N 275.352 0.876 0 50 CCAA CC(=O)NCCNC(=O)[C@@H](c1ccccc1F)N(C)C 95376182 ARECSPFGPUDVJE-CYBMUJFWSA-N 281.331 0.681 0 50 CCAA COc1cn(CC(=O)NC(C)(C)CO)c(C)cc1=O 253409229 LOEHDDFTZXHNSM-UHFFFAOYSA-N 268.313 0.052 0 50 CCAA C[C@@H]1C[C@H](N)CCN1C(=O)c1nc2ncccc2[nH]1 534635565 OKNFNHDXILBPBQ-RKDXNWHRSA-N 259.313 0.910 0 50 CCAA O=S(=O)(NCc1noc(C2CC2)n1)c1cn[nH]c1 534640043 DSHOKACSBKOMMX-UHFFFAOYSA-N 269.286 0.149 0 50 CCAA Nc1ccc(O)cc1C(=O)NCCN1CCCC[C@H]1CO 828710830 LEQJNMHUJONHNM-NSHDSACASA-N 293.367 0.551 0 50 CCAA C[C@@H](NS(=O)(=O)N1CCN(C)CC1)c1cccnc1 823791244 JASXVJZJJMJDPP-LLVKDONJSA-N 284.385 0.224 0 50 CCAA COc1ncc(CN2CCN(c3cnccn3)CC2)cn1 824852083 QLYNKEWKDKHBTB-UHFFFAOYSA-N 286.339 0.597 0 50 CCAA Cc1ncsc1[C@H]1CC(=O)Nc2[nH]c(=N)nc(O)c21 585655783 LIQKBXLUQWLBND-YFKPBYRVSA-N 277.309 0.834 0 50 CCAA O=C(CCCn1cnnn1)NCc1cc(C2CC2)n[nH]1 584885203 GCNLYUDUBAEWOC-UHFFFAOYSA-N 275.316 0.370 0 50 CCAA Cc1c[nH]c(C(=O)NCCc2nc(C3CC3)no2)n1 584890999 BVQROSCOSYWFNL-UHFFFAOYSA-N 261.285 0.951 0 50 CCAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N(C)Cc1cnn2c1CNCC2 952890470 UZMGJDGNOFOHHC-MISXGVKJSA-N 292.383 0.758 0 50 CCAA CO[C@@H]1COC[C@@H]1NC(=O)N1CC(C)(c2nnc(C)o2)C1 952895297 ZKBGWVIWUSOYDJ-VHSXEESVSA-N 296.327 0.075 0 50 CCAA F[C@@H]1COC[C@@H]1NCc1cnnn1[C@@H]1CCCNC1 1875392853 XIDLSWVBSQYIOY-JLLWLGSASA-N 269.324 0.029 0 50 CCAA C=CC(=O)N1CC(C(=O)N2CCn3ncc(C)c3C2)C1 1875387347 CVQDXBNWAKXKPS-UHFFFAOYSA-N 274.324 0.178 0 50 CCAA COc1ccccc1Cc1nc(CNS(C)(=O)=O)n[nH]1 952860995 BGFPMJZZEJUDSY-UHFFFAOYSA-N 296.352 0.453 0 50 CCAA C[C@@H]1CCCN(C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)C1 245227741 MUDIFKFPMJRUPI-PZWNZHSQSA-N 265.309 0.899 0 50 CCAA CCOC(=O)N1CCN(C(=O)C[C@H]2CCNC2)CC1 89745794 GOXUJQWOSQSYMW-LLVKDONJSA-N 269.345 0.287 0 50 CCAA CCN(CC)C(=O)N1CCN(C(=O)C(OC)OC)CC1 692625755 BOIUXHFUGDGZAZ-UHFFFAOYSA-N 287.360 0.211 0 50 CCAA Cc1c[nH]nc1C(=O)N(C)CCCN(C)CCN(C)C 685201017 ZMOVHXOCUMSTPB-UHFFFAOYSA-N 281.404 0.674 0 50 CCAA C[C@@H]1C(=O)NCCCN1C(=O)c1ccc2nccn2c1 188902517 NLCCAOARGVCLOM-SNVBAGLBSA-N 272.308 0.685 0 50 CCAA CCCC[C@@H](CN)NC(=O)C(C)(C)N1CCNCC1 564716689 QVPLKVPJZQNFNI-LBPRGKRZSA-N 270.421 0.304 0 50 CCAA Nc1nccnc1C(=O)N[C@@H]1COc2ccccc21 195107038 GQRCIMZPVSSRLF-SECBINFHSA-N 256.265 0.922 0 50 CCAA CN(CC[C@@H]1CCCCO1)C(=O)CCNS(C)(=O)=O 1506408762 ZVJWCBZXXXKJBD-NSHDSACASA-N 292.401 0.343 0 50 CCAA Cc1cc(=O)c(C(=O)N[C@@H]2COC3(CCNCC3)C2)c[nH]1 1506409032 ODMBOWVWYAXEDK-NSHDSACASA-N 291.351 0.324 0 50 CCAA CCOC(=O)COc1ccccc1/C=C1/NC(=O)NC1=O 89669 AZRWWSXGFMNHEO-JXMROGBWSA-N 290.275 0.809 0 50 CCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ncc(F)cc1F)C2 1704316392 ZKIZGLOBEICNBH-ONGXEEELSA-N 297.305 0.762 0 50 CCAA Cc1[nH]nc2c1CN(CC[C@@H]1COCCO1)CC2 1800414134 LFZIGCRJXPEGKN-LLVKDONJSA-N 251.330 0.882 0 50 CCAA CCOCc1nnc2n1CC[C@@H](C(=O)OC)CC2 601044348 PCLXZPVSDPMDPY-VIFPVBQESA-N 253.302 0.940 0 50 CCAA CN(C)C(=O)N1CCN(C(=O)c2cnns2)C(C)(C)C1 408127308 WANWZSCUALGJRA-UHFFFAOYSA-N 297.384 0.756 0 50 CCAA COc1cc(C)nc(N2CCC[C@](O)(CO)C2)n1 413398707 KSTCQUHRLXTKPW-GFCCVEGCSA-N 253.302 0.117 0 50 CCAA COc1ccc(NC(=O)C(=O)NCCCN(C)C)cc1 2851392 FMTTYMKCZDGGAZ-UHFFFAOYSA-N 279.340 0.702 0 50 CCAA Cc1nc([C@H]2CCOC2)sc1C(=O)N(C)CCN 638343879 PUOCQRAKRKBQEY-VIFPVBQESA-N 269.370 0.986 0 50 CCAA O=C(CN1C[C@@H]2CNC[C@@]2(CO)C1)NC1CCCCCC1 1772811309 SXJFBTUBBHAERF-BBRMVZONSA-N 295.427 0.339 0 50 CCAA CCN1CCn2c(nnc2[C@@H](O)c2ccccc2)C1=O 1772710844 SWENHFILIQVCOK-NSHDSACASA-N 272.308 0.836 0 50 CCAA C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@H](C3CC3)O2)O[C@@H]1C(=O)O 1857531890 IXHFNNGKPULMEK-ZENYVHOSSA-N 297.351 0.938 0 50 CCAA Cc1noc([C@@H]2CN(C(=O)c3cccn3C)CCN2C)n1 408035373 LNYPAIYDGHPCHP-LBPRGKRZSA-N 289.339 0.845 0 50 CCAA Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1 53613 KIWUTYCMQNZUPX-UHFFFAOYSA-N 284.747 0.803 0 50 CCAA in-vitro CNC(=O)NCc1cn(CC[C@@H]2CCCCO2)nn1 900552719 LDCHVMXGIBRNEA-NSHDSACASA-N 267.333 0.666 0 50 CCAA O=C1NCC2(CCOCC2)[C@@H]1NCc1c(F)cncc1F 933031443 JBZZCEGLDZMZBQ-GFCCVEGCSA-N 297.305 0.745 0 50 CCAA O=C(CSC1=N[C@H]2CCCC[C@@H]2N1)N1CCOCC1 314045 YKWHALHXTMWCPC-QWRGUYRKSA-N 283.397 0.849 0 50 CCAA CC(C)(C)SCC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 225482338 LQFOURJVTFDLGJ-UWVGGRQHSA-N 286.397 0.634 0 50 CCAA C[C@H]1OCCN[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 262042283 YQQJSTGRHBHTHM-KCJUWKMLSA-N 260.297 0.878 0 50 CCAA CNC[C@@H](C)CNS(=O)(=O)C[C@H]1CCCCO1 178955189 BWBZPHLOZNOYDS-GHMZBOCLSA-N 264.391 0.330 0 50 CCAA C[C@@H]1CN(C(=O)C2=NN(C)C(=O)CC2)C[C@@]1(C)C(=O)O 710177675 QWPVVSXCVJAQGD-AMIZOPFISA-N 281.312 0.164 0 50 CCAA CC[C@H]1CN(Cc2nnc3n2CCCC3)C[C@@H]1O 378329583 OHDWAAUGSQTIGD-QWRGUYRKSA-N 250.346 0.817 0 50 CCAA NC(=O)c1cn2c(n1)CCN(c1ncc(Cl)cn1)CC2 2100547883 QKVZHKKFMQEQQC-UHFFFAOYSA-N 292.730 0.488 0 50 CCAA N[C@@H](CNC(=O)c1n[nH]cc1-c1ccncc1)C1CC1 2325796550 XVDSXWADGBZGOZ-LBPRGKRZSA-N 271.324 0.939 0 50 CCAA CCCC[C@@](C)(CO)NC(=O)c1nc[nH]c2ncnc1-2 2325861104 FVIKRKSEODZPGD-ZDUSSCGKSA-N 277.328 0.976 0 50 CCAA N=c1cc(-c2noc(/C=C/c3ncc[nH]3)n2)nc[nH]1 2325864676 WHHXELHVCGGUJF-OWOJBTEDSA-N 255.241 0.833 0 50 CCAA Cn1ncc2c(N)nc(N3C[C@H]4C[C@H](N)C[C@H]3C4)nc21 900442938 XQYLDBPVGXZQQK-XHNCKOQMSA-N 273.344 0.262 0 50 CCAA CC(C)(CC(N)=O)NC(=O)c1cccc(C(=O)O)c1 227084392 CCERATPFRIAMSJ-UHFFFAOYSA-N 264.281 0.769 0 50 CCAA CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)OCC)CC1=O 56423 KSKWGMNRWCYVAT-HTQZYQBOSA-N 256.254 0.277 0 50 CCAA NC(=O)CC[C@@H](Nc1ncnc2ccccc12)C(=O)O 132683 TZFIJIOVFYFDMD-SNVBAGLBSA-N 274.280 0.760 0 50 CCAA CCNCCNC(=O)c1c(O)c2ccccc2n(C)c1=O 2291833 KRANDQDVNIQZGE-UHFFFAOYSA-N 289.335 0.583 0 50 CCAA COCCOC(=O)CCCCC(=O)OCCOC 4284403 GVRNUDCCYWKHMV-UHFFFAOYSA-N 262.302 0.926 0 50 CCAA CCc1ccc(CNCCNC(=O)c2nonc2N)cc1 4488611 RJQJZZVYHSZORJ-UHFFFAOYSA-N 289.339 0.734 0 50 CCAA CO[C@H]1C[C@@H](CN(C)CC(=O)NCC(F)(F)F)N(C)C1 345142587 WXFJIFNDSABPHB-UWVGGRQHSA-N 297.321 0.316 0 50 CCAA CCc1nc(CNC(=O)C2=NN(C)C(=O)CC2)cs1 107616430 GBYARKQYAINRJS-UHFFFAOYSA-N 280.353 0.930 0 50 CCAA CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](C)O 119370529 DJDZIXCJIQSXAD-QWRGUYRKSA-N 292.401 0.078 0 50 CCAA CCN1CCN(C(=O)[C@H]2CCOC2)C[C@@H]1c1nccn1C 328619705 GCWSDCLZGIIORS-QWHCGFSZSA-N 292.383 0.662 0 50 CCAA CCc1cnc(C)nc1N[C@H]1COC[C@@H]1N1CCOCC1 65370572 NRCSDHXJUWQDBS-KBPBESRZSA-N 292.383 0.859 0 50 CCAA COc1cccc(CN2CCC[C@@](O)(CN)C2=O)c1OC 67473476 MCDIVWFCTYCSRZ-OAHLLOKOSA-N 294.351 0.516 0 50 CCAA Cc1cc(O)cc(=O)n1CC(=O)Nc1ccccn1 176689614 SPQOMCGWMHMZJM-UHFFFAOYSA-N 259.265 0.896 0 50 CCAA Cc1ccc(F)cc1CC(=O)N1CC[C@H](O)[C@@H](O)C1 72144571 PJJVBBIWGQXURX-STQMWFEESA-N 267.300 0.631 0 50 CCAA C/C=C/Cc1nnc(C(=O)N2CC[C@H](N(C)C)C2)o1 71775942 ZFJZNDBDGDUVFB-YEZKRMTDSA-N 264.329 0.964 0 50 CCAA C[C@@H]1COCCN(C(=O)c2cnc3[nH]c(O)nc3c2)C1 367702082 LYPXPQCQRABAFV-QMMMGPOBSA-N 276.296 0.772 0 50 CCAA CSC[C@H](C)C(=O)N1CC2(CN(C)C(=O)O2)C1 496108953 UZQZHBKLVLQWKL-QMMMGPOBSA-N 258.343 0.649 0 50 CCAA O=C(NC1CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 156184025 HYDNJJDGHPCOTD-NSHDSACASA-N 276.292 0.077 0 50 CCAA CCOc1c(F)cccc1C(=O)N1CC[C@@](O)(C(N)=O)C1 370416788 ZTSZZYBDHMVGEF-AWEZNQCLSA-N 296.298 0.287 0 50 CCAA Cn1cc(CC(=O)N=c2nc(C3(C)CC3)[nH]s2)cn1 529705050 XFEJCRHALHBMMG-UHFFFAOYSA-N 277.353 0.926 0 50 CCAA Cc1ncsc1CCCNC(=O)[C@H]1CC(=O)N(C)C1 426494041 LYFCCNPRWUDDJN-JTQLQIEISA-N 281.381 0.979 0 50 CCAA COCCN1C[C@H](Nc2nc(N)ncc2C)CC1=O 92098583 KXYYIIHJQZFVJP-SECBINFHSA-N 265.317 0.026 0 50 CCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1c1cc(C2CC2)ncn1 91663520 DJQFEKSVGFZBNZ-PWSUYJOCSA-N 275.356 0.396 0 50 CCAA CC[C@@H]1C(=O)N(C)CCN1Cc1cnn(CCC(=O)O)c1 97272462 UMXQFYGUMUWQLB-GFCCVEGCSA-N 294.355 0.410 0 50 CCAA COCc1noc(CN2C[C@H](C3CC3)[C@@H](N(C)C)C2)n1 91679685 SIBVBTAQPSXVTM-NEPJUHHUSA-N 280.372 0.988 0 50 CCAA N[C@H]1C[C@@H](c2cc(NCCOCCO)ncn2)C1 244678551 IFQNVGUPFIVEOU-AOOOYVTPSA-N 252.318 0.102 0 50 CCAA N[C@H](C(=O)O)C12C[C@@H]3C[C@H](C1)CC([C@@H](N)C(=O)O)(C3)C2 245240016 JOQCTWDVUPQENU-ZHVMKKQWSA-N 282.340 0.397 0 50 CCAA Cc1nc[nH]c1CSCCNC(=O)[C@@H]1C=CCN1 534643578 DNRLOXQLTKMVEX-JTQLQIEISA-N 266.370 0.596 0 50 CCAA CN1CCC(OCCCNC(=O)[C@@H]2C=CCN2)CC1 534652970 CITNFGVMCSETTP-ZDUSSCGKSA-N 267.373 0.132 0 50 CCAA O=C(Cc1ccc(F)c(F)c1)NCCn1cncn1 267998520 UWOYOXINMOGYDL-UHFFFAOYSA-N 266.251 0.915 0 50 CCAA COc1ccc(F)cc1C(=O)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1940195101 DCZYWECKTKZJSN-XKAARJIMSA-N 297.282 0.091 0 50 CCAA CCCn1ncnc1[C@H](C)NC(=O)c1[nH]cnc1C(=O)O 299780177 TYDWDNGZFSGVSR-ZETCQYMHSA-N 292.299 0.600 0 50 CCAA Cc1cnc([C@H](C)NC(=O)CN(C)C2CCNCC2)[nH]1 584891027 QASKQKZEDUYPJB-NSHDSACASA-N 279.388 0.579 0 50 CCAA CN(Cc1ccco1)C(=O)NCCc1nc(N)n[nH]1 827884131 AHOWSRFVJWWFNR-UHFFFAOYSA-N 264.289 0.364 0 50 CCAA O=C(C1CCC1)N1CCN(C(=O)[C@@H]2CCOC2)CC1 584902034 XEHCDSLRVAGHRZ-GFCCVEGCSA-N 266.341 0.494 0 50 CCAA Cc1cc(C)nc(Cn2cnc3nccnc3c2=O)n1 584891254 GMFQTAFLWSKTBG-UHFFFAOYSA-N 268.280 0.642 0 50 CCAA O=C(N1CC[C@]2(CCOC2=O)C1)C(F)(F)C1(O)CCC1 1875274835 JVQMAPJDHSGCOA-NSHDSACASA-N 289.278 0.702 0 50 CCAA C=CC(=O)N1CCC(C(=O)NCc2cccnc2O)CC1 1875369338 ITSUJJKIAALAFQ-UHFFFAOYSA-N 289.335 0.828 0 50 CCAA O=C([C@H]1NCC12CCCC2)N1CC[C@@]2(CCNC2)C1 888101879 QHCYVFGKOUTWCR-TZMCWYRMSA-N 263.385 0.731 0 50 CCAA Cn1cnc(CNC(=O)[C@H]2NCCOc3ccccc32)c1 1775962394 JALCAGLZQRJHJK-AWEZNQCLSA-N 286.335 0.760 0 50 CCAA CC(C)(C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)n1ccc(N)n1 1775962448 LFLLQFHSESLSBE-TZMCWYRMSA-N 299.378 0.941 0 50 CCAA CCC[C@H](C)NC(=O)CN1CCC[C@H]1C(=O)N(C)C 248011709 PLLCIVRVHHOVMI-RYUDHWBXSA-N 269.389 0.844 0 50 CCAA CC(C)n1cc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)O)C2)cn1 274930512 CHMKRDMNXHNDLW-ZJUUUORDSA-N 299.352 0.772 0 50 CCAA O=c1n(Cc2ncnn2CCF)nnn1-c1ccccc1 281518221 UIPPSGJXQHNVAK-UHFFFAOYSA-N 289.274 0.038 0 50 CCAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCCN(C)C(=O)C1 408474103 DZODYPGNOXOKRE-NWDGAFQWSA-N 268.357 0.882 0 50 CCAA O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1CCCOC1 408519918 RKBQXXZDCPWLGD-OLZOCXBDSA-N 270.373 0.376 0 50 CCAA CCc1noc2ncc(S(=O)(=O)N(C)[C@H](C)CN)cc12 225426288 DYLFGYWICFJGBA-MRVPVSSYSA-N 298.368 0.753 0 50 CCAA COC(=O)c1c(S(=O)(=O)N2CCCC2)n[nH]c1C 732214210 AYDBBHOSZFTHCL-UHFFFAOYSA-N 273.314 0.289 0 50 CCAA CN(CCCOc1ccc(F)cc1)C(=O)[C@@H]1C[C@@H](O)CN1 195543237 YUYSCSKDBPTRIX-OCCSQVGLSA-N 296.342 0.776 0 50 CCAA CCCN1C[C@@H](Nc2nc(C)cc(C(=O)O)n2)CC1=O 1506420066 SGUXZNRBZKVMFM-VIFPVBQESA-N 278.312 0.906 0 50 CCAA CCOC(=O)/C(=C\[C@@H]1OC(C)(C)O[C@H]1CO)CC(=O)O 1501069142 QSSCNWCEVHEQJM-VAJAEUGUSA-N 288.296 0.463 0 50 CCAA CCC(=O)N1CCC(C(=O)N(C)CC(=O)O)CC1 1506398946 IBRCWQRJJRZHGC-UHFFFAOYSA-N 256.302 0.178 0 50 CCAA CC(C)(CO)N1CCN([C@H](C(=O)O)C2CC2)CC1 635018009 XVTCLTSHHMSRGP-NSHDSACASA-N 256.346 0.238 0 50 CCAA Cn1ccnc1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704356781 KKSJGUHRKODDKO-CHWSQXEVSA-N 286.335 0.803 0 50 CCAA Cc1nonc1C(=O)N1C[C@H](C)[C@@](O)(C(C)C)C1 248010681 IVGIIGFTOHAUFB-UFBFGSQYSA-N 253.302 0.857 0 50 CCAA CC1(C)OC[C@H]([C@@H](O)C(=O)N[C@H]2CCCSC2)O1 1615605780 NMQHEBUINRELGD-IVZWLZJFSA-N 275.370 0.511 0 50 CCAA CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@@H](N)[C@H]1NC(C)=O 204862646 NENPYTRHICXVCS-JHJVBQTASA-N 284.356 0.807 0 50 CCAA in-vitro O=C(c1cccc(-n2cnnc2)n1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775976603 BSDMXGOYBNBQGB-GDNZZTSVSA-N 299.334 0.505 0 50 CCAA O=C(NCCN1CCOCC1)[C@H]1COc2ccccc2O1 19782470 HVBJSLGYFGKQCI-CQSZACIVSA-N 292.335 0.275 0 50 CCAA Cn1nc(C(=O)NCc2[nH]nc3ncccc23)nc1Cl 1857687437 RAFSBMYCFFVPMI-UHFFFAOYSA-N 291.702 0.670 0 50 CCAA Cc1cc(C[C@@H]2CN(c3cncc4nccn34)C[C@@H]2O)n[nH]1 1857726458 RUSYTCSOWASYNJ-YPMHNXCESA-N 298.350 0.801 0 50 CCAA C[C@H](NC(=O)c1cn2c(n1)CCNCC2)C(F)(F)F 1875247934 VPCGBILXZRAXON-ZETCQYMHSA-N 276.262 0.709 0 50 CCAA Oc1n[nH]c([C@@H]2CCCN(CCN3CCOCC3)C2)n1 329611362 CFYDIEGIOAUOKY-LLVKDONJSA-N 281.360 0.022 0 50 CCAA O=C(CCc1ncccn1)N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12 1875313821 VWHCOGFAGULGJV-RWEMILLDSA-N 261.281 0.389 0 50 CCAA CCOC(=O)Cn1ncc(Br)c1C(=O)O 1857782432 LPLAVYJAVWARFE-UHFFFAOYSA-N 277.074 0.907 0 50 CCAA C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1C[C@@H](C(=O)O)C1 263185785 HWQZFCOHQDIASY-INTQDDNPSA-N 282.340 0.661 0 50 CCAA C[C@](NC(=O)C1CCC(O)CC1)(C(=O)O)C1CC1 909321951 AVDQFKPSZFCTMS-QDPIBXHXSA-N 255.314 0.907 0 50 CCAA COCOc1ccc(NC(=O)C[C@@H]2CC(=O)NC2=O)cc1 824468418 QNJQPKPKBBYTPL-SECBINFHSA-N 292.291 0.661 0 50 CCAA NC(=O)C1(O)CN(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 827358790 HOBZUBONPICNIZ-OLZOCXBDSA-N 288.347 0.314 0 50 CCAA Cc1ccc(CN(C)C(=O)[C@@H]2CCOC(=O)N2)nc1 861264512 GZAQPEQYJAKGNS-NSHDSACASA-N 263.297 0.847 0 50 CCAA O=C(O)C[C@H]1COCCN1C(=O)Cc1ccc(O)cc1 129384129 UHGLSRWMLBSKGF-NSHDSACASA-N 279.292 0.637 0 50 CCAA CNC[C@@H]1CCCN1S(=O)(=O)c1c[nH]c2ncccc12 156603444 ZWHKORFYLHDLQC-JTQLQIEISA-N 294.380 0.935 0 50 CCAA CC(C)(CC(=O)N1CCC[C@](O)(C(N)=O)C1)C(F)(F)F 375776499 VKAGVJRQSPKPJI-LLVKDONJSA-N 296.289 0.804 0 50 CCAA CCN(CC)S(=O)(=O)c1nc2nc(C)cc(C)n2n1 54342 IOOAVTHDHQIJAY-UHFFFAOYSA-N 283.357 0.772 0 50 CCAA O=C(NCc1cc(O)ncn1)c1cccc2ncnn12 2100540629 NOXPCASYKYFRKZ-UHFFFAOYSA-N 270.252 0.155 0 50 CCAA CCOC(=O)[C@@H]1CSCCN1Cc1cnc(C)[nH]c1=N 2325809045 AAAYYZIVGNYKLQ-NSHDSACASA-N 296.396 0.678 0 50 CCAA C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ccccc1C(=O)O 864500561 BRVIPJDSBPOOOO-CABZTGNLSA-N 299.348 0.982 0 50 CCAA CC(=O)Oc1cccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 318001 JJLBDVKLMQPWCY-UHFFFAOYSA-N 289.247 0.241 0 50 CCAA O=C(CCNCc1nc[nH]n1)Nc1nccs1 65405334 BOOWJJHBJLMXCE-UHFFFAOYSA-N 252.303 0.380 0 50 CCAA CNS(=O)(=O)Cc1ccc2[nH]cc(CCN)c2c1 22009116 MURZXKIEJFJMPP-UHFFFAOYSA-N 267.354 0.718 0 50 CCAA in-vitro COC(=O)c1ccc(C(=O)N2CCn3c(O)nnc3C2)o1 331908059 RGRGUTCCSWXSNN-UHFFFAOYSA-N 292.251 0.019 0 50 CCAA O=C(NCCSc1ncn[nH]1)c1ccc2n[nH]nc2c1 215337699 LHXRUTJKKPBKJX-UHFFFAOYSA-N 289.324 0.598 0 50 CCAA CCc1nnsc1C(=O)N1CCOC[C@H]1CC(=O)O 128286352 UIKMDZYCIXXUTF-SSDOTTSWSA-N 285.325 0.416 0 50 CCAA N[C@@H]1CC[C@H](C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)C1 237952819 CWFMOGFLJZHYAK-MJBXVCDLSA-N 287.363 0.814 0 50 CCAA CCCOCC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 154081199 QOIDPINZLPVGEL-LBPRGKRZSA-N 280.372 0.932 0 50 CCAA O=C1COCCN1CC(=O)N1CC[C@@H](C2CCOCC2)C1 365962451 DDBBHOPCRIZGAS-CYBMUJFWSA-N 296.367 0.120 0 50 CCAA COCC1(CNc2nccn3c(C)nnc23)CCNCC1 261726327 QQJPBTDMLCYJMW-UHFFFAOYSA-N 290.371 0.861 0 50 CCAA CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(CO)o2)C1 72121908 OKGZBAPKXXYYED-CQSZACIVSA-N 282.340 0.301 0 50 CCAA CN[C@@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 133154080 VRKSMMWKGJVAPF-CQSZACIVSA-N 273.380 0.693 0 50 CCAA COc1cccc(CN2CCN[C@@H](C(=O)O)C2)c1OC 71750279 ARYGCMXQGMELMY-LLVKDONJSA-N 280.324 0.562 0 50 CCAA CCCn1nccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(C)C2=O 72412096 AEVKOAMQNPHYKO-NWDGAFQWSA-N 290.367 0.986 0 50 CCAA Cc1cncn1C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 613612089 PNRGWZVPIUNQJM-LBPRGKRZSA-N 291.355 0.379 0 50 CCAA NC(=O)[C@H]1CCCN1C(=O)NCc1cc(C2CC2)n[nH]1 426715833 GTBPIMUJKQCKJY-LLVKDONJSA-N 277.328 0.446 0 50 CCAA CC[C@H](C)[C@H](NC(=O)C(=O)c1cccn1C)C(=O)O 426599022 VMVYITJWMJLDMV-WPRPVWTQSA-N 266.297 0.823 0 50 CCAA CCN1CCCC[C@@H]1CNC(=O)c1n[nH]nc1C 194091491 CFXZKTLBCZTSLG-SNVBAGLBSA-N 251.334 0.717 0 50 CCAA CC(C)(C)N1C[C@@H](CNC(=O)CCC(=O)O)CC1=O 426420524 FRZTYGVWKUDMPY-SECBINFHSA-N 270.329 0.614 0 50 CCAA CCOC(=O)C(C(=O)OCC)[C@@H]1CCCC(=O)N1 238850865 DBOSZNSGPZOJBF-QMMMGPOBSA-N 257.286 0.398 0 50 CCAA COc1ccc2c(c1)OC[C@H](CNC(=O)CNC(C)=O)C2 91965256 DCGQBFGSRXBKIV-NSHDSACASA-N 292.335 0.499 0 50 CCAA CN(C)C[C@@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1CO 91254752 ISZUMNSLLKFCOU-HUUCEWRRSA-N 276.380 0.858 0 50 CCAA Cc1nc(CNC(=O)[C@H]2CCCCCN2C)n[nH]1 91695436 RLAKJKWRZBJERH-SNVBAGLBSA-N 251.334 0.604 0 50 CCAA Cc1nc(NCc2nnn[nH]2)cc([C@H]2C[C@@H](O)C2)n1 244796166 RUEOXGUGCZNYNM-OCAPTIKFSA-N 261.289 0.149 0 50 CCAA O=C(c1ccncc1Cl)N1CCO[C@H]2CNC[C@H]21 299743897 PYFRJYAXCABXTI-MNOVXSKESA-N 267.716 0.548 0 50 CCAA O=C(N[C@@H]1CNC[C@H]1O)c1cccc(-c2cn[nH]c2)c1 534584548 XJGXJDHOKLIDOV-CHWSQXEVSA-N 272.308 0.139 0 50 CCAA CCc1nc(O)ccc1C(=O)N[C@@H]1CCS(=O)(=O)C1 1940196363 FZRRULYDUYTFBB-MRVPVSSYSA-N 284.337 0.267 0 50 CCAA CCO[C@H]1COC[C@@H]1NC(=O)c1nn(C)c(C)c1Cl 299788519 QHWFITOIQBVDGH-IUCAKERBSA-N 287.747 0.916 0 50 CCAA CN1CCN([C@@H]2CCN(C(=O)Cc3cccnc3)C2)CC1 299796417 OCXRECGFRHOGTE-OAHLLOKOSA-N 288.395 0.472 0 50 CCAA COCCCN1CC[C@@H](CNC(=O)c2cncnc2C)C1 299759785 PFGOHNOFOHUVIU-ZDUSSCGKSA-N 292.383 0.873 0 50 CCAA Cn1cncc1C(=O)N1CCCO[C@H](CN2CCCC2)C1 299802424 LUDFVBZXQQETBZ-CYBMUJFWSA-N 292.383 0.747 0 50 CCAA Cn1c(CN2CCNC(=O)[C@@H]2CCO)nc2ccccc21 299763134 GTZBRNNNTMHSLR-ZDUSSCGKSA-N 288.351 0.256 0 50 CCAA CO[C@H]1CN(CC(C)(C)CN2CCOCC2)C[C@@H]1O 824504730 JDPPAIIPIDJGGX-STQMWFEESA-N 272.389 0.036 0 50 CCAA COCCN1CC[C@H](CNC(=O)c2ccc(C)nc2O)C1 824412466 VKSYXQSYAGNDJM-GFCCVEGCSA-N 293.367 0.794 0 50 CCAA COc1cc(C(=O)NCCc2csc(N)n2)ccn1 584884505 YLKBZFGTKXBZMT-UHFFFAOYSA-N 278.337 1.101 0 50 CCAA CO[C@H]1COCC[C@@H]1NC(=O)c1cnc(SC)nc1 584888189 NZZYIQVGAJQRKQ-UWVGGRQHSA-N 283.353 0.732 0 50 CCAA CCCc1cc2c(=O)n(Cc3nc(N)n[nH]3)cnc2s1 584894209 SGOUQFXIJMYDIK-UHFFFAOYSA-N 290.352 1.159 0 50 CCAA Cn1cc(CCC(=O)NCCSc2nncn2C)cn1 670452409 IAWUMLFBAUUJMP-UHFFFAOYSA-N 294.384 0.390 0 50 CCAA CC(C)O[C@H]1CN(C(=O)CN2CCCCCC2)C[C@@H]1O 670457707 NJZLHOTWTCOOBH-KBPBESRZSA-N 284.400 0.859 0 50 CCAA Cc1nonc1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 873282089 BNZXBPVIFUMDQM-NEPJUHHUSA-N 296.327 0.467 0 50 CCAA CN(C)c1c[nH]ccc1=NC(=O)N[C@@H]1CC[C@H](C(=O)O)C1 952847823 KXYBGZFMVPTWQX-VHSXEESVSA-N 292.339 0.944 0 50 CCAA CN(Cc1cnn2c1CNCC2)[C@@H]1CCN(C2CC2)C1=O 952889742 LJESWRPERABYGM-CYBMUJFWSA-N 289.383 0.181 0 50 CCAA COC(=O)c1cc(NC(=O)Cc2ccco2)n(C)n1 952995375 JXXWOOQLCCFAGC-UHFFFAOYSA-N 263.253 0.981 0 50 CCAA CN(C(=O)Cc1ccc(CN)cc1)[C@@H]1CCCCNC1=O 1875287776 ZDAWWBUNQBSWLF-CQSZACIVSA-N 289.379 0.815 0 50 CCAA C[C@H]1COB(O)c2cc(NC(=O)CC(C)(C)O)ccc21 1875370234 HDTFRUBRSOGNLK-VIFPVBQESA-N 277.129 0.607 0 50 CCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3(CCO)COC3)n[nH]c21 1875396622 OUEQZTQNADAMQN-BDAKNGLRSA-N 295.339 0.313 0 50 CCAA Cc1c[nH]nc1Cn1cc(C2CN(C(=O)C3CC3)C2)nn1 1875344979 QQNKLXVQFCRYLS-UHFFFAOYSA-N 286.339 0.694 0 50 CCAA CC1=C(C(=O)NCc2n[nH]c3c2CCC3)OCCO1 952982958 SUJOZXMQSGCVRB-UHFFFAOYSA-N 263.297 0.793 0 50 CCAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cnn(C)n1 886051520 PFOCFQGBODDTSV-JSGCOSHPSA-N 290.371 0.785 0 50 CCAA CC(C)C[C@H]1CN(C)CCN1C(=O)Cn1cnc(N)n1 886599515 AGZNFGSMBVTTHQ-NSHDSACASA-N 280.376 0.049 0 50 CCAA CC[C@H](C)[C@H](NS(=O)(=O)[C@H]1CCC[C@H]1OC)C(=O)O 1573942393 HHZGHQWTPPXBOG-VLEAKVRGSA-N 293.385 0.973 0 50 CCAA CC(C)C[C@H](CN)CC(=O)O[C@@H]1CCCNC1=O 408525690 SXWZDYOIUJQMTE-WDEREUQCSA-N 256.346 0.819 0 50 CCAA Cc1nc(CC2CC2)sc1C(=O)N[C@H](CO)[C@@H](C)O 412417844 BOCITHSVXRZRQC-PSASIEDQSA-N 284.381 0.876 0 50 CCAA CCNS(=O)(=O)[C@H]1CCN(Cc2cccnc2OC)C1 193467035 NJXFSWCTNIHNBP-LBPRGKRZSA-N 299.396 0.604 0 50 CCAA CO[C@@H]1C[C@@H](N(C)Cc2nc(O)n[nH]2)C12CCC2 650185953 WIQKWJOXFJNSLC-RKDXNWHRSA-N 252.318 0.900 0 50 CCAA CNC(=O)[C@H]1CCC[C@@H]1N=c1ccn2nccc2[nH]1 585092790 NYKGOWVBBBQUTN-UWVGGRQHSA-N 259.313 0.478 0 50 CCAA NC(=O)[C@@H]1CN(Cc2ccc(Cl)s2)C[C@@H]1C(N)=O 585116579 BNKZJZQJBGLOBX-OCAPTIKFSA-N 287.772 0.420 0 50 CCAA O=C(O)c1nccnc1NCCN1CCC[C@@H](CO)C1 1506426667 IVYUPUAKGLJMJF-SNVBAGLBSA-N 280.328 0.291 0 50 CCAA CCN1CC[C@@H](CN(CC)CCn2cnnc2)C1 1506418489 UEDRXDPXLDYDCP-CYBMUJFWSA-N 251.378 0.942 0 50 CCAA COCCn1cnnc1CN(C)CCc1nccn1C 1506407788 RVSUFSYKCYDSIK-UHFFFAOYSA-N 278.360 0.333 0 50 CCAA COCCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529168208 ZHFPAWRXXILTET-CHWSQXEVSA-N 264.325 0.792 0 50 CCAA Cc1cnn([C@@H]2CCN(C(=O)N3CCOCC3)C2)c1 329841236 NKKOMLHVQIFJLS-GFCCVEGCSA-N 264.329 0.891 0 50 CCAA CN(CCc1cccs1)S(=O)(=O)c1nnn(C)n1 1615605379 LNFAHGKRRFWFDK-UHFFFAOYSA-N 287.370 0.135 0 50 CCAA CCc1noc(C[C@@]2(O)CCCN(C(=O)NC3CC3)C2)n1 1647329499 VLJWUEZONMNARY-AWEZNQCLSA-N 294.355 0.873 0 50 CCAA C[C@]12C[C@H]1CN(c1cncc(C(=O)N3CCOCC3)n1)C2 1772809432 WMVQMHJUADSULM-XHDPSFHLSA-N 288.351 0.795 0 50 CCAA O=C1N[C@H]2C[C@@H]1N(C(=O)CN1CCc3ccccc3C1)C2 1857695799 YMUFIRHRHJZCJX-KBPBESRZSA-N 285.347 0.144 0 50 CCAA O=C(NCc1ccc(F)cc1)N1CCOC2(CNC2)C1 333928924 XWGHRHZMQMRSEL-UHFFFAOYSA-N 279.315 0.710 0 50 CCAA CN(CC(C)(C)CO)C(=O)c1cncc(-n2ccnn2)c1 622077139 LCZCTWQBGKVNAC-UHFFFAOYSA-N 289.339 0.753 0 50 CCAA CCn1nc(C)c(CN2C[C@@H](N3CCOCC3)C[C@H]2C)n1 824370698 NXSCJCLSYIXZIV-OCCSQVGLSA-N 293.415 0.901 0 50 CCAA O=C(c1cn2cccnc2n1)N1CC[C@@]12CCOC2 1120748862 GKFSCEZILZOYAP-ZDUSSCGKSA-N 258.281 0.734 0 50 CCAA O=C(O)[C@H]1COCCN1C(=O)c1cnn2ccccc12 224778956 UXDWLJCULCWHML-LLVKDONJSA-N 275.264 0.260 0 50 CCAA CCOCCN1CCN(CCn2cncn2)C[C@H]1C 252474901 OIHXLKGSMKBLBF-CYBMUJFWSA-N 267.377 0.321 0 50 CCAA Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)n[nH]1 262848505 WHJGHLGRUWNIGC-UHFFFAOYSA-N 277.284 0.987 0 50 CCAA Cc1cc(C(=O)N2CCS(=O)CC2)cc(O)n1 408126584 QMINWCYEFZFWKB-UHFFFAOYSA-N 254.311 0.300 0 50 CCAA O=C(NCc1nccc(C(F)(F)F)n1)[C@H]1C[C@H]1C(=O)O 634841999 DFPWNNMBAYIQAO-NTSWFWBYSA-N 289.213 0.832 0 50 CCAA CN(CC[C@@H]1CCS(=O)(=O)C1)Cc1nncn1C 823719806 DDYDOYRABHZTOF-SNVBAGLBSA-N 272.374 0.072 0 50 CCAA O=C(COc1cccc(F)c1)N1C[C@H](O)[C@@H](F)C1 1615750961 DKGLSYRNYCKATQ-QWRGUYRKSA-N 257.236 0.746 0 50 CCAA O=S1(=O)C[C@H](O)[C@@H](Nc2ncnc3ccsc23)C1 1565511298 LJFKNNGLIPEWRH-YUMQZZPRSA-N 285.350 0.261 0 50 CCAA CN(C)CCCNC[C@H](O)COc1ccccc1 1817474 XELOOTAZVDARBY-ZDUSSCGKSA-N 252.358 0.968 0 50 CCAA COC(=O)Nc1ccc(S(=O)(=O)NCCO)cc1 2031266 IDPLNMFBNBUWMT-UHFFFAOYSA-N 274.298 0.136 0 50 CCAA O=C(CCCn1cncn1)N1CCC[C@@]12CCCNC2=O 2356138576 DZDDSDXZKZBGMN-CQSZACIVSA-N 291.355 0.330 0 50 CCAA COc1ccc(S(=O)(=O)N(C)CC(=O)O)cc1 4680366 AVGHWDMNPUHFBQ-UHFFFAOYSA-N 259.283 0.400 0 50 CCAA CN1C(=O)/C(=C2\NC(=S)NC2=O)c2ccccc21 100285610 JNSJFAYUGCDBBT-HJWRWDBZSA-N 259.290 0.378 0 50 CCAA CN1CCC(CNC(=O)CCN2CCCC2=O)CC1 68129629 OWAHKNYIRRCJRK-UHFFFAOYSA-N 267.373 0.457 0 50 CCAA CCN(CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)C1CC1 347195092 LEUOBQWKLQHJKI-RRFJBIMHSA-N 296.411 0.859 0 50 CCAA NC[C@H]1CCN(C[C@@H](O)COc2ccccc2)C1 864096846 KCNMCRQKHFOQHF-CHWSQXEVSA-N 250.342 0.707 0 50 CCAA CC(C)Cn1ncnc1CS(=O)(=O)[C@H](C)[C@H](C)O 330736096 WTHSUDWNZJRYLK-VHSXEESVSA-N 275.374 0.618 0 50 CCAA C[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)C[C@H]1C(N)=O 284665739 UEWKXCUFSJIYSO-ZWNOBZJWSA-N 299.334 0.461 0 50 CCAA C[C@H](NC(=O)c1cccc2ccnn12)c1nnn[nH]1 72143668 GUBFSICZYQUFQA-ZETCQYMHSA-N 257.257 0.338 0 50 CCAA Cc1cc(C)nc(CCNC(=O)Cc2cnccn2)n1 215821498 FWXZPJBHGMCZAT-UHFFFAOYSA-N 271.324 0.785 0 50 CCAA O=C1C[C@H](NC(=O)c2cc(F)cc3cccnc23)CN1 336445103 WHKPHXBUAJPNAT-JTQLQIEISA-N 273.267 0.992 0 50 CCAA O=C([C@@H]1CCCN1C1CCOCC1)N1CCn2nccc21 367497041 JJQZASLOKBFRHT-ZDUSSCGKSA-N 290.367 0.873 0 50 CCAA C[C@@H]1NCCC[C@@H]1NS(=O)(=O)N1CCC[C@@H](C)C1 246641325 VQHUWJJPTLIVMN-WOPDTQHZSA-N 275.418 0.693 0 50 CCAA CN1CC[C@H]2CN(C(=O)c3nc4ccccc4[nH]c3=O)C[C@H]21 77437136 HHYUYRTZOIHMPX-GXFFZTMASA-N 298.346 0.699 0 50 CCAA NS(=O)(=O)c1cccnc1N1CCO[C@@H](C2CC2)C1 375332241 KXHUFNQDUQCCIV-SNVBAGLBSA-N 283.353 0.344 0 50 CCAA CNCC(=O)NCCc1nc(-c2ccccn2)no1 71753760 QYXTYGIRWZNQQV-UHFFFAOYSA-N 261.285 0.010 0 50 CCAA COC[C@H]1CN(C(=O)c2cncnc2)CC(C)(C)O1 285523548 OOJLUILEGNQZQX-LLVKDONJSA-N 265.313 0.743 0 50 CCAA CCO[C@H](C)C(=O)N1Cc2nc(C)nc(O)c2C1 426404411 WDPFVIVUCDFOAQ-SSDOTTSWSA-N 251.286 0.758 0 50 CCAA Cc1nc2ccccn2c1CC(=O)N[C@@H](C)Cn1cncn1 426593664 JMNWGTVYUDHXON-NSHDSACASA-N 298.350 0.982 0 50 CCAA COCc1ccc(C(=O)NC2(C(N)=O)CCCC2)o1 96148489 TUHNWBLLJJTNTI-UHFFFAOYSA-N 266.297 0.954 0 50 CCAA CNC(=O)C[C@H](C)N(C)C(=O)NCc1ncc[nH]1 426389676 MMFGBRKRFVPPMI-QMMMGPOBSA-N 253.306 0.076 0 50 CCAA O=C(O)[C@@H]1CC2(OCCO2)[C@@H]2CC[C@H]3C[C@@]12C(=O)O3 247376247 IJRZBQUJTVNAGY-APOZVJGGSA-N 268.265 0.546 0 50 CCAA CCCn1ccnc1CNC(=O)CN1CC[C@H](N(C)C)C1 244715851 LDPOVCSFMNBLGR-ZDUSSCGKSA-N 293.415 0.545 0 50 CCAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cnc[nH]1 244899828 ZREBNBBZYXOAMV-LBPRGKRZSA-N 278.356 0.783 0 50 CCAA O=c1[nH]ccn1CCN1CCN(C2CCSCC2)CC1 243892758 AKTQCYWFQCDNKT-UHFFFAOYSA-N 296.440 0.690 0 50 CCAA O=C([C@@H]1C=CCN1)N1CCC(Oc2cccnc2)CC1 534660470 IXMNRVSALCEDOV-AWEZNQCLSA-N 273.336 0.979 0 50 CCAA CN1CCN(CC(=O)NCC[C@H]2CCCOC2)C1=O 534675375 AIRGILSRXCEWQX-LLVKDONJSA-N 269.345 0.287 0 50 CCAA O=C(CCCN1CCOCC1)NCC[C@H]1CCOC1 534577748 VEWZOBVLGYBACZ-ZDUSSCGKSA-N 270.373 0.642 0 50 CCAA O=C1CCC(C(=O)N2CC[C@H](Oc3ccccc3)C2)=NN1 299787444 LZDBSXCGZDCSOM-LBPRGKRZSA-N 287.319 0.932 0 50 CCAA CC[C@@H](C(=O)N1CCN(c2cnccn2)CC1)N(C)CC 822549834 ADBBZQBUDCZFOR-ZDUSSCGKSA-N 291.399 0.856 0 50 CCAA COCCn1cnnc1[C@H](C)NC(=O)C1(COC)CCC1 584887422 KPUIRCMTRXXEIX-NSHDSACASA-N 296.371 0.918 0 50 CCAA O=C(NCCCN1CCCC[C@@H]1CO)c1ccc(O)nc1 584891146 CSSFQWDJCWCEBK-CYBMUJFWSA-N 293.367 0.754 0 50 CCAA C[C@H](CC[S@](C)=O)Nc1cc(-n2cccn2)nc(N)n1 271453186 QBRRGZPJFINWLH-YBYGRFCBSA-N 294.384 0.814 0 50 CCAA CCO[C@@H](C(=O)OCc1nnn(C)n1)C1CCOCC1 869877391 VELPTSFSYUKVHC-LLVKDONJSA-N 284.316 0.085 0 50 CCAA CCc1cc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)n[nH]1 1553457378 PXLYUBZMGJQTFX-ZANVPECISA-N 263.345 0.605 0 50 CCAA O=C(c1cc(O)cc(=O)o1)N1CC[C@H](c2ncc[nH]2)C1 1875270973 HGWVNUVUHYFLBI-QMMMGPOBSA-N 275.264 0.698 0 50 CCAA O=C1C[C@H](CC(=O)N2CCc3c(F)ccc(F)c32)C(=O)N1 1875271684 BTMUAIMNKOCYSM-SSDOTTSWSA-N 294.257 0.907 0 50 CCAA Cn1c(O)nc(Nc2cc3n(n2)CCCC3)cc1=O 1336632612 GBJGKDGGYVMKST-UHFFFAOYSA-N 261.285 0.762 0 50 CCAA C[C@@]1(C(=O)NOCCOCCO)C[C@H]2CC[C@H]1C2 1775999707 UQUVKFNOVAIUPK-GMXVVIOVSA-N 257.330 0.869 0 50 CCAA O=C(Cn1ccccc1=O)N[C@H]1CCO[C@@H]1c1cccnc1 275395819 NAYHDXACALXQHM-XJKSGUPXSA-N 299.330 0.890 0 50 CCAA COc1cc(F)ccc1N1CCN(C(=O)[C@@H](C)N)CC1 169020087 ABCNFFCWSOPZSP-SNVBAGLBSA-N 281.331 0.830 0 50 CCAA CC(C)(C)OC(=O)N1CCC(O)(O)C(F)(F)C1 95616755 WQBMVRTXKYXMKT-UHFFFAOYSA-N 253.245 0.943 0 50 CCAA in-vitro O=C(N=c1cc2n([nH]1)CCCC2)c1ccc2c(c1)B(O)OC2 584989824 VHCZSCHUGFRBMB-UHFFFAOYSA-N 297.123 0.111 0 50 CCAA O=C(O)[C@H](C1CC1)N1CCN([C@@H]2CCC[C@H]2O)CC1 635017326 SUIVVIXNGCWMLR-UPJWGTAASA-N 268.357 0.381 0 50 CCAA O=C(O)[C@H]1CCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 408518792 ULPVJRSSXBDZEY-UPJWGTAASA-N 296.367 0.705 0 50 CCAA CCN(CC)C(=O)CCN1C(=O)CN(C(C)C)C1=O 225452401 NBGCQCXTTGOXPK-UHFFFAOYSA-N 269.345 0.918 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2ccon2)C1 643815526 NCZUIVJNPCTOTR-LBPRGKRZSA-N 253.302 0.138 0 50 CCAA NC(=O)C[C@@]1(O)CCCN(C(=O)CCc2ccco2)C1 643995376 GDQDMIYSTFAPNW-AWEZNQCLSA-N 280.324 0.441 0 50 CCAA O=C(N=c1[nH]ncs1)N1CC[C@H](C(=O)N2CCCC2)C1 562026546 WSKBERJMBIAGQQ-VIFPVBQESA-N 295.368 0.436 0 50 CCAA CC(C)CN1C[C@@H](C(=O)N2CCC[C@@H](O)[C@H]2C)CC1=O 718946188 DDWWFZZBOVATIM-FRRDWIJNSA-N 282.384 0.863 0 50 CCAA Cn1ncnc1COC(=O)c1cn(Cc2ccccc2)nn1 768810884 FXHDJZAVBDQINP-UHFFFAOYSA-N 298.306 0.812 0 50 CCAA Cn1nncc1NS(=O)(=O)c1ccc2c(c1)CCCO2 788205967 RTSYZSFEBHMOTQ-UHFFFAOYSA-N 294.336 0.941 0 50 CCAA Cc1cncc(C(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)c1 794111698 FDZWMUJLHMRBJJ-AWEZNQCLSA-N 287.323 0.632 0 50 CCAA O=C(O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(Cl)cc1 164348 JLBJYGCSAOHRPK-HTQZYQBOSA-N 259.645 0.085 0 50 CCAA in-vitro Cc1cccc(=O)n1CCCNC(=O)[C@@H]1CC[C@H](N)C1 215087267 ZHSYINFWKBHDKP-OLZOCXBDSA-N 277.368 0.790 0 50 CCAA Cc1cnc(N2CCN3C(=O)OC[C@H]3C2)nc1N(C)C 1704352622 AZRXJGVBTWFKJL-SNVBAGLBSA-N 277.328 0.492 0 50 CCAA Cc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2CO)cn1 335723893 QAUHGFJUYGKXSQ-RYUDHWBXSA-N 252.289 0.864 0 50 CCAA COc1cccc2c1CC[C@]2(N)C(=O)NCC1(N)CC1 1615546646 MRTULHLXVMOPMW-OAHLLOKOSA-N 275.352 0.403 0 50 CCAA O=S(=O)(CC1CCCC1)NC[C@H]1CCNC[C@@H]1O 1616129641 HLBXXNIHBLDAHF-NEPJUHHUSA-N 276.402 0.066 0 50 CCAA COCCOc1cccc(C(=O)NCC=CCO)c1 1857532868 GROIZKXCLVFKHP-UHFFFAOYSA-N 265.309 0.990 0 50 CCAA Cc1nc(CCCn2cncn2)n(-c2cnn(C)c2)n1 1772809198 OVAZZKBDWKOHII-UHFFFAOYSA-N 272.316 0.534 0 50 CCAA CCOCC(C)(C)NC(=O)c1cnc(C(N)=O)cn1 1772707968 ZRWLPNRZUVUIPR-UHFFFAOYSA-N 266.301 0.120 0 50 CCAA CCN(C(=O)CSCC(=O)O)c1cnn(C)c1 594464840 AFMWRZHDYYOBQO-UHFFFAOYSA-N 257.315 0.591 0 50 CCAA Cc1noc(C)c1C(=O)NCCSc1ncn[nH]1 19113125 VSJJARHMPPBINT-UHFFFAOYSA-N 267.314 0.932 0 50 CCAA Cc1noc(C)c1CNC(=O)[C@@H]1CCc2ncnn2C1 1857736320 JMZHBKNHJLAAIX-SNVBAGLBSA-N 275.312 0.762 0 50 CCAA O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)c1cn([C@H]2CCCNC2)nn1 333572542 MQJDRLMNNVWXTH-SBFPOUOMSA-N 291.355 0.252 0 50 CCAA CC(C)[C@H](O)CC(=O)N1CCC[C@H](c2nc(O)n[nH]2)C1 843877231 DCWLIYJOJPJRDU-VHSXEESVSA-N 282.344 0.623 0 50 CCAA CCCn1nc(C)c(C(=O)N2CCO[C@@H](C(=O)O)C2)c1C 237053829 NHCGHHOHOBJVGN-LLVKDONJSA-N 295.339 0.836 0 50 CCAA N[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](Cn3cncn3)C2)C1 237934520 VQOHVSJYNIFELU-JHJVBQTASA-N 277.372 0.644 0 50 CCAA CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N 16696877 AIZZFYPYPULRFL-DTWKUNHWSA-N 258.318 0.744 0 50 CCAA in-vitro Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cn1 375069599 JEGMLFYNZFJTKP-MLGHIDQZSA-N 261.325 0.960 0 50 CCAA N=c1ccc(C(=O)N[C@@H]2CCC[C@@H](C(=O)O)C2)c[nH]1 1875278140 CKFSEQDPNIJFHI-PSASIEDQSA-N 263.297 0.867 0 50 CCAA COCC[C@@H]1CNCCN1Cc1cc(C)n(C)n1 903837062 BEBYXPCFRVMYGX-CYBMUJFWSA-N 252.362 0.539 0 50 CCAA Cn1ccc(C(=O)N2CCC[C@@H]2C2(O)CC2)cc1=O 1772812781 QMDQMZACYBPDGX-LLVKDONJSA-N 262.309 0.515 0 50 CCAA CC(C)n1cnc(S(=O)(=O)NCCc2cnoc2)c1 822288471 OELCYVPQWCGTDW-UHFFFAOYSA-N 284.341 0.973 0 50 CCAA C=CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(C2CC2)C1 1118883100 OECDRHQMUWXPIE-GFCCVEGCSA-N 265.357 0.326 0 50 CCAA O=C(O)c1ccc(CNC(=O)[C@@H]2CCCS2(=O)=O)o1 581199693 LDUWVUKRXVBDBY-VIFPVBQESA-N 287.293 0.171 0 50 CCAA C[C@@]1(CO)C[C@@H](O)CN1C(=O)c1ncoc1C1CC1 888092025 SASRWSDBJRLYHC-RNCFNFMXSA-N 266.297 0.510 0 50 CCAA C[C@@H]1CN(C2CC2)CCN1C(=O)c1n[nH]c2c1COCC2 2100545073 GNKQLZJGLAOSPH-SNVBAGLBSA-N 290.367 0.791 0 50 CCAA CC(C)(C(=O)N[C@H]1C[C@H](n2cccn2)C1)c1nc[nH]n1 2325803470 ISDXHBSMBRMRNG-MGCOHNPYSA-N 274.328 0.799 0 50 CCAA CCCN1CCC[C@]2(CCCN2S(C)(=O)=O)C1=O 2356144269 PKWCKVFIXZIKPG-LBPRGKRZSA-N 274.386 0.813 0 50 CCAA O=C(O)[C@@H]1C[C@H](O)CN1C(=S)NCc1ccccc1 4641493 RCYFQLYRPLPVHD-QWRGUYRKSA-N 280.349 0.581 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)Cc2c(C)nn(C)c2C)C1 630251748 ZKKOBBSDRJCMEB-AWEZNQCLSA-N 295.339 0.282 0 50 CCAA Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(=N)O)n(C)n1 328605613 ODZNLYNZCGVNDT-UWVGGRQHSA-N 297.334 0.406 0 50 CCAA C[C@@H](CN(C)C(=O)[C@H]1CCC(C)(C)O1)c1nn[nH]n1 330315772 PSFLOGSZDDEYQI-DTWKUNHWSA-N 267.333 0.719 0 50 CCAA Cc1nc2c(C(=O)N[C@H]3CC(=O)N(C)C3)ccnc2[nH]1 333221927 DXRYDYXBMRSSDO-QMMMGPOBSA-N 273.296 0.227 0 50 CCAA CN1CCC[C@@]2(CCN(C(=O)c3ccc[nH]c3=O)C2)C1=O 67840107 XXAYAXOCCKUBPF-HNNXBMFYSA-N 289.335 0.459 0 50 CCAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2cnn(C(C)(C)C)c2)C1 284511713 IBMZYKWREUQVLJ-RYUDHWBXSA-N 280.372 0.713 0 50 CCAA Cc1cc(CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)nn1C 77439610 ZANOOAILMRIQEZ-LLVKDONJSA-N 278.356 0.602 0 50 CCAA COc1cc(C)nc(CN2CCO[C@H](C)[C@H]2C(N)=O)c1 284494847 CWUNBGSGGKSYAR-MFKMUULPSA-N 279.340 0.473 0 50 CCAA CN1C(=O)CC[C@@H]1C(=O)N1CCSC2(CCOCC2)C1 336535131 WHPZJBGNWZOTEQ-LLVKDONJSA-N 298.408 0.732 0 50 CCAA Cc1cc(C)n(CCCNC(=O)[C@@H]2C[C@@H]2C(=O)O)n1 132950099 GOFIAXAUDMHMLU-MNOVXSKESA-N 265.313 0.727 0 50 CCAA Cn1nnnc1N1CCC(NC[C@H]2CCSC2)CC1 365939670 BQSPCAOKDTVXLC-SNVBAGLBSA-N 282.417 0.522 0 50 CCAA CCCO[C@H](C)CNC(=O)c1ccc(=O)n(C)c1 215562551 KMWYRMJRYDXJLX-SNVBAGLBSA-N 252.314 0.930 0 50 CCAA CSc1nn2c(=O)c3c([nH]c2c1C(N)=O)CCC3 225370921 RJQOJYHXBSCJMM-UHFFFAOYSA-N 264.310 0.332 0 50 CCAA CC(=O)N[C@@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O 137481359 XVCNPVJWQKMATF-LBPRGKRZSA-N 274.276 0.660 0 50 CCAA Cn1ncnc1CCNC(=O)CCC(F)(F)F 220718042 FTQQCEOIFPRKLX-UHFFFAOYSA-N 250.224 0.816 0 50 CCAA CN(C)S(=O)(=O)NCCNCc1cccc2[nH]ccc12 291424096 IJEOXPSCCISRKK-UHFFFAOYSA-N 296.396 0.654 0 50 CCAA Cc1ccc(CCNC(=O)N[C@H](C(N)=O)C(C)C)o1 426465511 VAMODWVXXBMYHJ-NSHDSACASA-N 267.329 0.940 0 50 CCAA CN(C)C(=O)c1n[nH]c(-c2ccc(N(C)C)nc2)n1 426544984 IGHJJONQYZSJLJ-UHFFFAOYSA-N 260.301 0.635 0 50 CCAA CN(C)C(=O)CN1CCC[C@@](CO)(CC2CC2)C1 92046755 RWGAPOAPDSXTAZ-CQSZACIVSA-N 254.374 0.949 0 50 CCAA O=C1[C@H]2OC[C@@H](O2)[C@H]2ON=C(c3ccc4c(c3)OCO4)[C@@H]12 247714441 MLNVNWPJCRTWRD-QOBDMFJFSA-N 289.243 0.459 0 50 CCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccnc2ccnn12 626898396 QEVUXYCOBCKVDO-BDAKNGLRSA-N 273.296 0.126 0 50 CCAA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CC[C@@H](C(=O)O)C1 299741387 FMQVTVJIMDQPIB-TUAOUCFPSA-N 285.340 0.894 0 50 CCAA CC(C)(C)[C@H](N)C(=O)NCCSc1cnn[nH]1 252510245 ZFIJMFMVHQUOBT-MRVPVSSYSA-N 257.363 0.386 0 50 CCAA CN1CCN(C(=O)CN2CC[C@@]3(O)CCCC[C@H]3C2)CC1 250362846 DKTHRJHOSJVNSZ-HOCLYGCPSA-N 295.427 0.387 0 50 CCAA Cc1c(S(=O)(=O)NCc2nccn2C(C)C)cnn1C 534637840 PWXOIIDXLWSJRK-UHFFFAOYSA-N 297.384 0.984 0 50 CCAA CN1CCOC[C@@H]1C(=O)N=c1cc(C(C)(C)C)o[nH]1 1940194823 VINUIVCQUSWPKX-SECBINFHSA-N 267.329 0.663 0 50 CCAA Cc1ccc(C(N)=O)cc1NC(=O)NCC(=O)N(C)C 299768830 MVHLMXQZNDUJOY-UHFFFAOYSA-N 278.312 0.304 0 50 CCAA CCN1Cc2ccccc2C[C@H]1c1n[nH]c(CC(N)=O)n1 823118472 QUNODRDCCUCKEY-LBPRGKRZSA-N 285.351 0.952 0 50 CCAA O=C(CN1CCOCC1)NCCCC[C@@H]1CCCO1 584889139 XUNZIPUJWYWXMG-CYBMUJFWSA-N 270.373 0.784 0 50 CCAA CCc1nc(CN(C)C(=O)COCCOC)no1 584886938 IYDCBPSMJNKVGA-UHFFFAOYSA-N 257.290 0.253 0 50 CCAA COC(=O)CCNC(=O)c1cn2c(n1)C[C@@H](C)CC2 585129479 LCYXOJUPLUTOIH-VIFPVBQESA-N 265.313 0.758 0 50 CCAA CCN1CCCN(C(=O)[C@@H]2CSC(C)(C)C(=O)N2)CC1 584897666 FTTZPRHSHBJUFH-NSHDSACASA-N 299.440 0.551 0 50 CCAA Cc1nn(Cc2ncnn2CCCO)c(=O)c2ccccc12 670435046 HVNYHMHNEMKUGV-UHFFFAOYSA-N 299.334 0.727 0 50 CCAA CCCc1nnsc1C(=O)NCCc1ncnn1C 670467836 YRQZXYLFOKTNCC-UHFFFAOYSA-N 280.357 0.592 0 50 CCAA Cn1nnc2c1[C@H](C(=O)NOC(C)(C)CO)CCC2 1875283958 JOLNLWYYEWSNIC-MRVPVSSYSA-N 268.317 0.054 0 50 CCAA C[C@H](NC[C@]1(CO)COC[C@@H](C)N1C)c1ncco1 1875398859 HHQCLQHDBPWHPJ-MDZLAQPJSA-N 269.345 0.407 0 50 CCAA NC(=O)Cn1cc(NC(=O)Cc2c[nH]c3cnccc23)cn1 1347614248 YZVODXYLRXURPK-UHFFFAOYSA-N 298.306 0.426 0 50 CCAA CO[C@H](C)CS(=O)(=O)N1CCC(CNC(C)=O)CC1 170616486 KGYVXQAUROXFMS-SNVBAGLBSA-N 292.401 0.199 0 50 CCAA CNC(=O)CN1CCC(NC(=O)c2cccnc2C)CC1 170989086 FNLAQHAQPPVHGA-UHFFFAOYSA-N 290.367 0.330 0 50 CCAA COc1cccc(CCNC(=O)c2ccn(C)n2)n1 584907854 HHZCTNXDYGTTHH-UHFFFAOYSA-N 260.297 0.796 0 50 CCAA CC[C@H]1[C@H](NC(=O)CCn2cncn2)[C@H]2CCO[C@@H]12 1074565962 CISIPTWNDWOCOE-LFSVMHDDSA-N 264.329 0.598 0 50 CCAA Cc1ccc2oc(N3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)nc2c1 585117947 GABOLNDOYLUEDC-IUCAKERBSA-N 288.307 0.159 0 50 CCAA NS(=O)(=O)c1cn(CCCOc2ccccc2)nn1 585118618 VZIFBVOTFUMFRE-UHFFFAOYSA-N 282.325 0.395 0 50 CCAA C[C@H]1C(=O)NCCN1C(=O)CC(C)(C)CC(=O)O 110659477 OVKYNJNFAJHSIE-QMMMGPOBSA-N 256.302 0.224 0 50 CCAA CNC(=O)C[C@@]1(O)CCCN(Cc2ccc(OC)nc2)C1 643757638 RTVXBIXTNGYRBU-HNNXBMFYSA-N 293.367 0.553 0 50 CCAA C[C@@H]1CN(C(=O)CC2(O)CCCC2)CCS(=O)(=O)C1 191890516 ZXPQGGSRMVHUKI-LLVKDONJSA-N 289.397 0.575 0 50 CCAA Cc1nccnc1N1C[C@H](C)N(CCO)[C@H](C)C1 649462063 LHCNZHOGHVHJOU-PHIMTYICSA-N 250.346 0.676 0 50 CCAA CCNS(=O)(=O)[C@@H]1CCN([C@@H](CC(C)C)C(=O)O)C1 577118258 WEPWHAAIBYBBLZ-MNOVXSKESA-N 292.401 0.499 0 50 CCAA Cc1cnc(N2CCC[C@@](O)(CO)CC2)nc1N(C)C 1704338410 UGZNOMCOXPJMAR-AWEZNQCLSA-N 280.372 0.565 0 50 CCAA Cc1cc(C[C@@H]2CN(c3nc(CO)cs3)C[C@H]2O)on1 1704308775 JHNBWDGMTPNCRB-BXKDBHETSA-N 295.364 0.972 0 50 CCAA CN(C(=O)c1nc(O)nc(O)c1N)[C@@H]1CC1(C)C 408374102 NXIJGXUHHXPKPQ-RXMQYKEDSA-N 252.274 0.341 0 50 CCAA COC[C@@H]1CCN1C(=O)C(C)(C)c1cnn(C)c1 578239498 HJKNCLLOLGYDIR-NSHDSACASA-N 251.330 0.945 0 50 CCAA CNCC1CCN(C[C@H]2CCC(=O)N(C)C2)CC1 1775980838 CMEDBKXMCOZKFR-ZDUSSCGKSA-N 253.390 0.786 0 50 CCAA CC(C)n1cncc1CN1CC[C@@]2(CNC(=O)CO2)C1 1772808556 TXNZEAZPLBVFRV-CQSZACIVSA-N 278.356 0.555 0 50 CCAA Cn1nc(C(=O)O)nc1N1CCC[C@H](Cn2ccnc2)C1 1857677984 HLUJDTRVCVCHHV-SNVBAGLBSA-N 290.327 0.626 0 50 CCAA CCC[C@]1(CO)CCN(CCc2nccn2C)C[C@H]1O 1875245431 ZNPAVAPMPKYVIM-UKRRQHHQSA-N 281.400 0.808 0 50 CCAA O=C1CC[C@@H]2CN(C(=O)C3(n4cccn4)CC3)CC[C@@H]2N1 825191706 APDKNADBAVAMTL-NEPJUHHUSA-N 288.351 0.499 0 50 CCAA Cc1nnsc1CS(=O)(=O)C[C@H]1CCCO1 825297021 IRZPDBXQNRHGSR-MRVPVSSYSA-N 262.356 0.940 0 50 CCAA CC(C)N(CCOCCO)c1nccn2cnnc12 252490215 KMGBECSJJMVFOI-UHFFFAOYSA-N 265.317 0.348 0 50 CCAA CCc1occc1C(=O)N1CCC[C@@](O)(C(N)=O)C1 285463520 KCWXEWXRQYKYHV-ZDUSSCGKSA-N 266.297 0.294 0 50 CCAA C[C@H]1CN(Cc2nnc(C3CC3)n2C)CC[C@H]1O 407949569 RKIAFNXFMSHHPX-GXSJLCMTSA-N 250.346 0.895 0 50 CCAA Cc1cc(NC(=O)c2nc(=O)n(C)[nH]2)c(O)nc1C 2100539771 XUFLKKGMZWIFKM-UHFFFAOYSA-N 263.257 0.078 0 50 CCAA NS(=O)(=O)c1ccc(-n2cccc2C=O)cc1 174624 GLIUQFSIKLMRCN-UHFFFAOYSA-N 250.279 0.937 0 50 CCAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccn2)C1 219409 CRZNLHGYSRBOQL-LLVKDONJSA-N 297.380 0.369 0 50 CCAA COCCN(CCOC)C(=O)[C@H]1CCn2nccc2C1 1857697934 BLAQLWXTXGBFEP-LBPRGKRZSA-N 281.356 0.567 0 50 CCAA Cn1nc(C(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)c2ccccc21 2356145150 DELSCWHWRWKTLD-GXSJLCMTSA-N 284.319 0.391 0 50 CCAA CCCCS(=O)(=O)C[C@H](COC)OC(C)=O 6310756 JBTJAVXPKIZWMW-JTQLQIEISA-N 252.332 0.779 0 50 CCAA CC[C@@H](C)NS(=O)(=O)c1csc(C(N)=O)c1 6678659 PBPFSRUNEBGCKV-ZCFIWIBFSA-N 262.356 0.924 0 50 CCAA N[C@@H]1CCC[C@H]1C(=O)N1CC[C@H](N2CCCC2)C1 227282130 MRYGAGWFFATSJE-YNEHKIRRSA-N 251.374 0.811 0 50 CCAA CCCc1nc(CN(CC)C(=O)C2=NNC(=O)CC2)no1 55053914 STPWMKCOORYJHI-UHFFFAOYSA-N 293.327 0.637 0 50 CCAA CN1CCC[C@H](CNC(=O)CNC(=O)c2ccccc2)C1 108462332 HXSDYTIHDQXGFT-CYBMUJFWSA-N 289.379 0.874 0 50 CCAA CCSCCn1ncc(N2CC[C@@H](CN)C2)cc1=O 23398134 QZRYFPWLSMINFZ-NSHDSACASA-N 282.413 0.781 0 50 CCAA COCCN1CC[C@@H](CNC(=O)c2cc[nH]c2)C1 68385218 IXACNKHTNUEVTB-NSHDSACASA-N 251.330 0.713 0 50 CCAA O=C(CO)NC[C@H]1CCN(Cc2ccccc2F)C1 67867804 YNFLXMFYIDZDMH-LLVKDONJSA-N 266.316 0.756 0 50 CCAA CN(C)C[C@H]1CN(C[C@@H](O)COCc2ccco2)CCO1 229555187 DUVPWERGIYREQO-HIFRSBDPSA-N 298.383 0.420 0 50 CCAA CCN(CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)C1CC1 347195102 LEUOBQWKLQHJKI-ZNMIVQPWSA-N 296.411 0.859 0 50 CCAA Cc1nnn(CC(=O)Nc2cc(C(C)C)nn2C)n1 20601436 RSXLQFATXLFCNS-UHFFFAOYSA-N 263.305 0.477 0 50 CCAA Cc1nc(N2CCNC(=O)[C@H]2C)c2nc(C)oc2n1 63856732 AAROUIAMWQARBK-ZCFIWIBFSA-N 261.285 0.559 0 50 CCAA Cn1c(S)nnc1CCNC(=O)CC1(O)CCCCC1 174631128 PAVSIIOVQOZFRF-UHFFFAOYSA-N 298.412 0.848 0 50 CCAA CC[C@@H](COC)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C 284737246 DDLVAXYOIXMJMD-MISXGVKJSA-N 280.372 0.754 0 50 CCAA CC[C@H](NS(=O)(=O)N1CCC1)[C@@H](O)C(C)C 332029130 JHWUZKLUTRMFMB-UWVGGRQHSA-N 250.364 0.322 0 50 CCAA Cc1cc(C)nc(CCNC(=O)CCCn2cncn2)n1 219990636 DFFVZBLEJIUHRX-UHFFFAOYSA-N 288.355 0.824 0 50 CCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2ccnn2C)C1 284539496 KMWJQLOYMKZFNF-KBPBESRZSA-N 292.383 0.632 0 50 CCAA CN1C(=O)C[C@@H](NCc2ccno2)[C@@H]1c1ccnn1C 284629517 CLZDPVZUKMPQMS-ZWNOBZJWSA-N 275.312 0.470 0 50 CCAA O=C([C@@H]1CCCN(C(=O)[C@@H]2CC23CC3)C1)N1CCNCC1 335398044 DSNNMBHYTBAGKH-OLZOCXBDSA-N 291.395 0.457 0 50 CCAA CN(C)CC[C@@H]1CN(C(=O)CCCc2cn[nH]c2)CCO1 71388784 UWUHLLGTFCQANM-CQSZACIVSA-N 294.399 0.912 0 50 CCAA C[C@@H](Sc1nnc(CN)n1C)C(=O)N1CCCC1 71373701 KLMGDLCADGPERN-MRVPVSSYSA-N 269.374 0.377 0 50 CCAA Cc1cccc2nc(CN3CC[C@](F)(CO)C3)cc(=O)n12 338588540 YMVLEGWQJWJUSQ-OAHLLOKOSA-N 291.326 0.909 0 50 CCAA COC[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)CC(C)(C)O1 285488313 MERZKSGULHKLOO-SECBINFHSA-N 296.323 0.645 0 50 CCAA Cc1nccnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 32578170 YZHGRKSMOMKMLV-CYBMUJFWSA-N 290.367 0.860 0 50 CCAA O=C([C@@H]1Cc2cc(F)ccc2O1)N1CC(=O)N(C2CC2)C1 365751417 BTGDAUXGZQXHSJ-ZDUSSCGKSA-N 290.294 0.920 0 50 CCAA CN(C)CC(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1 215620572 XFLDIWLGHQLVRJ-UHFFFAOYSA-N 285.351 0.918 0 50 CCAA O=C(NCC1(C2CC2)CCC1)N1CCN2C(=O)NC[C@@H]2C1 133225860 ZQZSLLJPXHEBLL-GFCCVEGCSA-N 292.383 0.986 0 50 CCAA CN1C[C@H](NC(=O)c2ccc(C(=O)O)s2)CC1=O 261588281 VNKXTKWVEJMCEB-ZCFIWIBFSA-N 268.294 0.407 0 50 CCAA NC(=O)c1cccc(C[C@H]2CCN(CCOCCO)C2)c1 72149428 UKGRMGKTNDDLTD-CQSZACIVSA-N 292.379 0.659 0 50 CCAA C[C@@H]1COCC[C@H]1CNc1ccc(C(N)=O)nn1 286273362 GKBVAVSHXBTWTH-BDAKNGLRSA-N 250.302 0.660 0 50 CCAA CCc1nccn1CCC(=O)N[C@@H]1CCOC[C@H]1OC 223349485 GWORDPUCSPDIBP-VXGBXAGGSA-N 281.356 0.756 0 50 CCAA Cc1nnc(N2C[C@@H]3CN(C)C[C@]3(C(=O)O)C2)s1 96133309 DLHJJXMPJINEOV-KWQFWETISA-N 268.342 0.299 0 50 CCAA Cn1ccnc1-c1cn(CCCc2nnc(N)s2)nn1 91468752 HLKLFFZMMJTCLJ-UHFFFAOYSA-N 290.356 0.745 0 50 CCAA CC(=O)N1CCN(c2ncnc3ccsc23)C[C@H](O)C1 91626035 ACRJQQXAFFUDCQ-SNVBAGLBSA-N 292.364 0.721 0 50 CCAA CCN(C)C[C@@H]1CN(C(=O)CSC)C[C@@H]1CO 91646050 JVZMBRLYRVTQAJ-GHMZBOCLSA-N 260.403 0.368 0 50 CCAA CNC[C@@H](C)C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 237176062 QEOSQRXJRCNCMZ-BXUZGUMPSA-N 280.372 0.350 0 50 CCAA COCCC[C@]1(CO)CCCN(CCS(C)(=O)=O)C1 91877221 CABHHGZEKSTLNC-CYBMUJFWSA-N 293.429 0.532 0 50 CCAA Cc1nc2ncnn2c(O)c1NC(=O)c1ccco1 334162960 JLTFYTCMKOVIJA-UHFFFAOYSA-N 259.225 0.984 0 50 CCAA O=C(NCCN1CCC[C@H](CO)C1)c1cscn1 243893346 AQCGGGKJSYNLFN-JTQLQIEISA-N 269.370 0.577 0 50 CCAA O=C(NCc1ccc2c(c1)CCC2)[C@@H]1C[C@@H](O)CN1 299753116 WWVXUHVHNKIMBG-KGLIPLIRSA-N 260.337 0.514 0 50 CCAA CC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)c1nc(C)cs1 299742255 AWILFDNPMORQEZ-GUBZILKMSA-N 269.370 0.742 0 50 CCAA Cc1cnn(CCNC(=O)[C@H](C)N2CCCC2)c1 534578546 YPIRUXAGRXDCGW-LBPRGKRZSA-N 250.346 0.792 0 50 CCAA CCN1CCN(C(C)(C)CNC(=O)c2[nH]cnc2C)CC1 534591349 JDPMHEMQMGIQSB-UHFFFAOYSA-N 293.415 0.864 0 50 CCAA O=C(c1n[nH]c2c1CCCC2)N1CCN2C(=O)OC[C@@H]2C1 374563102 YJPUCSHYIAFSBS-VIFPVBQESA-N 290.323 0.565 0 50 CCAA COC[C@@H](O)CNC(=O)c1c(C)cccc1OC 824339108 IIXQZWPHJRIXOJ-JTQLQIEISA-N 253.298 0.741 0 50 CCAA C[C@H](Cn1cncn1)C(=O)NCCc1cccnc1 827628046 MONYDWLPHRWAMP-LLVKDONJSA-N 259.313 0.668 0 50 CCAA CC(C)CC(=O)N1CCC(NC(=O)[C@H]2CCN2)CC1 820906079 OREGRGVIHRNSJL-GFCCVEGCSA-N 267.373 0.502 0 50 CCAA Cn1ccc(NC(=O)C2(C(=O)O)CC3(CCC3)C2)n1 585134184 HCUNZPCTHKHYBS-UHFFFAOYSA-N 263.297 1.394 0 50 CCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ncoc1C 584901386 VZTKZUDKKMBTBP-UWVGGRQHSA-N 253.302 0.432 0 50 CCAA O=C(O)[C@H]1CCCCN1C(=O)Cn1nnc2c1CCCC2 585134853 LYQHZSOIGNNYSM-GFCCVEGCSA-N 292.339 0.623 0 50 CCAA COCCn1cnnc1CN(C)Cc1nc(C)c(C)n1C 670469600 LJKPUSSPSJOXFD-UHFFFAOYSA-N 292.387 0.907 0 50 CCAA Cc1nn(C)c(C)c1[C@H]1CC(=O)Nc2nc(N)nc(O)c21 670416089 JDMRHXIAUOVRJO-SSDOTTSWSA-N 288.311 0.589 0 50 CCAA CC(=O)N1CCN(CC2(C)CCOCC2)C[C@@H](O)C1 670462991 VAEHHUGELBWSGZ-CYBMUJFWSA-N 270.373 0.328 0 50 CCAA N[C@@H]1CCNC[C@@H]1[C@H]1CC[C@@H](C(F)(F)F)NC1 757213074 NTUKAYAABLRJOS-JLIMGVALSA-N 251.296 0.854 0 50 CCAA CCc1cc(C)c(C(=O)N[C@]2(C(=O)O)C[C@H](O)C2)o1 1875292107 WQOOGOPHRPJJNH-KTLJEJPDSA-N 267.281 0.858 0 50 CCAA Nc1cc(N2CCO[C@@H](Cn3cccn3)C2)ncn1 1875253052 SNOOMBJPLUEACI-SNVBAGLBSA-N 260.301 0.161 0 50 CCAA COCCn1nc2c(c1C(=O)NCCO)C[C@H](C)O[C@@H]2C 1875314671 LNXJCYSIXNXKRM-VHSXEESVSA-N 297.355 0.274 0 50 CCAA C[C@H](CN(C)C(=O)c1cc[nH]c1)N1CCOCC1 952964064 LWTUXRWMFDACAZ-LLVKDONJSA-N 251.330 0.807 0 50 CCAA CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)CO)cn1 888094658 HMGGGUYFPPKVPP-WDEREUQCSA-N 253.302 0.311 0 50 CCAA O=C(Cn1cncn1)N1CCC[C@H](C2CCOCC2)C1 886144027 PADKOTWKNFTRGU-ZDUSSCGKSA-N 278.356 0.943 0 50 CCAA O=C(NC1(c2nc[nH]n2)CCC1)[C@@H]1CCc2n[nH]cc2C1 1776002378 JGZIXMDHSDJYCV-SECBINFHSA-N 286.339 0.828 0 50 CCAA Cc1nc(=NC(=O)C[C@@H]2NC(=O)c3ccccc32)n(C)[nH]1 897382384 GNZRINUHQIDZCS-NSHDSACASA-N 285.307 0.359 0 50 CCAA CCOCCN1CCN(CCCS(C)(=O)=O)C[C@H]1C 247397098 XWROLMBYDOROSJ-CYBMUJFWSA-N 292.445 0.464 0 50 CCAA CCc1noc(Cn2cnc3cnn(CC)c3c2=O)n1 631018414 LJKIEUGCXWYSOK-UHFFFAOYSA-N 274.284 0.607 0 50 CCAA CNC(=O)[C@@H]1CN(c2nccnc2OC(C)C)CCO1 302149403 KVTHOUQZJPKPHE-JTQLQIEISA-N 280.328 0.215 0 50 CCAA C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cc(C(=O)O)nn1C 600867109 RJXIFUIPGGGCBY-SEJYDQARSA-N 299.352 0.100 0 50 CCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)C1CCOCC1 189099745 YVTPZQXIXVGOCF-GFCCVEGCSA-N 268.357 0.786 0 50 CCAA O=C(CCc1cccnc1)N1CCC[C@](O)(CO)C1 72169170 JHNZLSPXKWEOKL-CQSZACIVSA-N 264.325 0.360 0 50 CCAA CO[C@@]1(C(=O)O)CCN(C(=O)CC[C@@H]2CCCO2)C1 630252736 OPLMXEHPEPWZPM-GWCFXTLKSA-N 271.313 0.648 0 50 CCAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1(CO)CC1 1704338892 JLCNCTOSYOCCAB-CHWSQXEVSA-N 276.336 0.528 0 50 CCAA CC(=O)N1CC[C@H](CNc2cc(C(=O)O)ncn2)C1 1614995854 LSHMXSJBVPXVRD-SECBINFHSA-N 264.285 0.455 0 50 CCAA CO[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CC2)CC1(C)C 1615590833 PSHKNCVLJZHNCS-SNVBAGLBSA-N 289.397 0.837 0 50 CCAA COc1cc(F)ccc1CN1C[C@H]2[C@H](C1)C2(CO)CO 1772807511 OHXWLUFBCBXNMC-STQMWFEESA-N 281.327 0.867 0 50 CCAA CN(CCc1ccccn1)C(=O)[C@H]1CC[C@@H](N)[C@H](O)C1 1857712954 OXGDAZAVGWCJEY-IACUBPJLSA-N 277.368 0.571 0 50 CCAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H](C(=O)O)C1 128550191 PWIACTLCHRPIFO-LLVKDONJSA-N 295.339 0.739 0 50 CCAA CS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 407967858 RIJPNVACGPPLQJ-VHSXEESVSA-N 297.380 0.475 0 50 CCAA O=C(CN1CCCC[C@@H](O)C1=O)NCc1ccncc1 644239617 WDSSKKKMRLWLFM-GFCCVEGCSA-N 277.324 0.071 0 50 CCAA O=C(c1nc[nH]c1C(F)(F)F)N1CCc2nn[nH]c2C1 828942673 XXLDHRHATYSZND-UHFFFAOYSA-N 286.217 0.745 0 50 CCAA CCOC1CC(CC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)C1 863358233 VBRYYCJLPIYSLG-WSVSKBAQSA-N 268.357 0.914 0 50 CCAA CNc1ccccc1C(=O)NC[C@@]1(O)CCO[C@@H]1C 227184162 INIHRLIKWDMGAV-YGRLFVJLSA-N 264.325 0.998 0 50 CCAA COCc1cc(C(=O)N(C2CC2)[C@H](C)C(=O)O)no1 262574077 DDCXCSQEHJSFKD-SSDOTTSWSA-N 268.269 0.899 0 50 CCAA CN1C[C@H](NC(=O)c2ncccc2F)CCC1=O 668987962 OPARSZDMNFQXKN-MRVPVSSYSA-N 251.261 0.571 0 50 CCAA O=C(O)c1ccoc1C(=O)N1CCC[C@H](O)CC1 378672322 LFKBAVPQFGDJBH-QMMMGPOBSA-N 253.254 0.965 0 50 CCAA COC[C@@]1(C(=O)O)CCCN1Cc1nonc1C 692331925 RXWOYKDIRQZDKN-LLVKDONJSA-N 255.274 0.444 0 50 CCAA CCCO[C@@H]1CCCN(C(=O)c2cnc(=NC)[nH]c2)C1 383564506 KUCBJALQGOCDSQ-GFCCVEGCSA-N 278.356 0.971 0 50 CCAA O=C(Cn1nnc2ccccc21)N1CCn2nccc2C1 1470323927 SWISPCPMCPWIAP-UHFFFAOYSA-N 282.307 0.670 0 50 CCAA